NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419346 |
2ean   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ean
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 2099
_Distance_constraint_stats_list.Viol_count 448
_Distance_constraint_stats_list.Viol_total 20.002
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0022
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 14 0 "[ . 1 . 2]"
1 8 VAL 0.034 0.008 4 0 "[ . 1 . 2]"
1 9 SER 0.045 0.006 6 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 14 0 "[ . 1 . 2]"
1 11 TRP 0.086 0.005 18 0 "[ . 1 . 2]"
1 12 SER 0.038 0.003 18 0 "[ . 1 . 2]"
1 13 PRO 0.017 0.008 16 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.107 0.004 11 0 "[ . 1 . 2]"
1 16 VAL 0.013 0.001 20 0 "[ . 1 . 2]"
1 17 VAL 0.002 0.001 19 0 "[ . 1 . 2]"
1 18 ASP 0.021 0.002 2 0 "[ . 1 . 2]"
1 19 TRP 0.028 0.005 15 0 "[ . 1 . 2]"
1 20 MET 0.066 0.002 2 0 "[ . 1 . 2]"
1 21 LYS 0.036 0.004 16 0 "[ . 1 . 2]"
1 22 GLY 0.454 0.026 3 0 "[ . 1 . 2]"
1 23 LEU 0.515 0.026 3 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.009 0.003 13 0 "[ . 1 . 2]"
1 28 GLN 0.027 0.003 3 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.025 0.005 2 0 "[ . 1 . 2]"
1 31 ILE 0.034 0.004 16 0 "[ . 1 . 2]"
1 32 LYS 0.007 0.003 8 0 "[ . 1 . 2]"
1 33 ASN 0.021 0.005 6 0 "[ . 1 . 2]"
1 34 PHE 0.015 0.002 6 0 "[ . 1 . 2]"
1 35 GLU 0.003 0.001 18 0 "[ . 1 . 2]"
1 36 ARG 0.002 0.001 11 0 "[ . 1 . 2]"
1 37 GLU 0.002 0.001 11 0 "[ . 1 . 2]"
1 38 LYS 0.017 0.008 16 0 "[ . 1 . 2]"
1 39 ILE 0.004 0.001 16 0 "[ . 1 . 2]"
1 40 SER 0.004 0.002 9 0 "[ . 1 . 2]"
1 41 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 42 ASP 0.039 0.009 15 0 "[ . 1 . 2]"
1 43 GLN 0.011 0.009 15 0 "[ . 1 . 2]"
1 44 LEU 0.024 0.005 14 0 "[ . 1 . 2]"
1 45 LEU 0.040 0.006 11 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.013 0.004 14 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 0.009 0.003 20 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
1 52 LEU 0.007 0.001 8 0 "[ . 1 . 2]"
1 53 GLU 0.001 0.001 18 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.019 0.002 2 0 "[ . 1 . 2]"
1 56 GLY 0.009 0.005 6 0 "[ . 1 . 2]"
1 57 VAL 0.009 0.003 3 0 "[ . 1 . 2]"
1 58 SER 0.001 0.001 5 0 "[ . 1 . 2]"
1 59 ARG 0.018 0.005 2 0 "[ . 1 . 2]"
1 60 ILE 0.005 0.001 20 0 "[ . 1 . 2]"
1 61 GLY 0.001 0.000 6 0 "[ . 1 . 2]"
1 62 HIS 0.008 0.003 13 0 "[ . 1 . 2]"
1 63 GLN 0.003 0.001 8 0 "[ . 1 . 2]"
1 64 GLU 0.008 0.001 20 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.025 0.006 9 0 "[ . 1 . 2]"
1 67 LEU 0.013 0.003 20 0 "[ . 1 . 2]"
1 68 GLU 0.002 0.002 18 0 "[ . 1 . 2]"
1 69 ALA 0.001 0.000 14 0 "[ . 1 . 2]"
1 70 VAL 0.033 0.005 14 0 "[ . 1 . 2]"
1 71 ASP 0.002 0.002 18 0 "[ . 1 . 2]"
1 72 LEU 0.004 0.001 19 0 "[ . 1 . 2]"
1 73 LEU 0.055 0.008 4 0 "[ . 1 . 2]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY QA 1 5 SER HA . . 4.100 3.970 3.935 4.079 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLY HA2 1 5 SER HA . . 4.660 4.469 4.339 4.654 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLY HA3 1 5 SER HA . . 4.660 4.453 4.303 4.652 . 0 0 "[ . 1 . 2]" 1
4 1 6 SER HA 1 8 VAL H . . 4.670 4.103 3.904 4.346 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER HA 1 8 VAL QG . . 4.960 4.826 4.625 4.960 . 0 0 "[ . 1 . 2]" 1
6 1 6 SER HA 1 9 SER H . . 4.850 4.397 3.584 4.821 . 0 0 "[ . 1 . 2]" 1
7 1 6 SER HA 1 9 SER QB . . 5.340 4.873 3.905 5.329 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY H 1 8 VAL H . . 4.670 2.524 1.986 3.716 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA2 1 8 VAL HA . . 5.380 4.794 4.740 4.833 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA2 1 9 SER H . . 4.630 3.943 3.813 4.123 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA2 1 10 LYS H . . 4.240 3.455 3.354 3.607 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA2 1 10 LYS HB2 . . 4.900 3.423 3.347 3.549 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA2 1 10 LYS HG2 . . 5.000 4.921 4.690 5.000 0.000 14 0 "[ . 1 . 2]" 1
14 1 7 GLY HA2 1 10 LYS HG3 . . 5.000 3.704 3.477 3.932 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 8 VAL H . . 3.020 2.731 2.489 2.845 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 8 VAL HA . . 4.620 4.324 4.291 4.343 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 8 VAL HB . . 5.450 5.358 5.157 5.450 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLY HA3 1 8 VAL QG . . 4.050 3.812 3.668 3.926 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLY HA3 1 9 SER H . . 5.210 4.305 4.148 4.380 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLY HA3 1 11 TRP HE1 . . 4.820 4.213 4.071 4.420 . 0 0 "[ . 1 . 2]" 1
21 1 8 VAL H 1 8 VAL HB . . 3.030 2.654 2.603 2.680 . 0 0 "[ . 1 . 2]" 1
22 1 8 VAL H 1 8 VAL MG1 . . 3.810 3.760 3.756 3.764 . 0 0 "[ . 1 . 2]" 1
23 1 8 VAL H 1 8 VAL QG . . 2.900 1.998 1.908 2.164 . 0 0 "[ . 1 . 2]" 1
24 1 8 VAL H 1 8 VAL MG2 . . 3.810 2.006 1.913 2.178 . 0 0 "[ . 1 . 2]" 1
25 1 8 VAL H 1 9 SER H . . 3.430 2.669 2.626 2.706 . 0 0 "[ . 1 . 2]" 1
26 1 8 VAL H 1 45 LEU QD . . 4.560 3.827 3.618 3.987 . 0 0 "[ . 1 . 2]" 1
27 1 8 VAL H 1 73 LEU QD . . 4.950 4.713 4.408 4.911 . 0 0 "[ . 1 . 2]" 1
28 1 8 VAL HA 1 8 VAL MG1 . . 3.300 2.328 2.209 2.365 . 0 0 "[ . 1 . 2]" 1
29 1 8 VAL HA 1 8 VAL MG2 . . 3.300 2.400 2.336 2.439 . 0 0 "[ . 1 . 2]" 1
30 1 8 VAL HA 1 10 LYS H . . 4.190 3.974 3.932 4.124 . 0 0 "[ . 1 . 2]" 1
31 1 8 VAL HA 1 11 TRP H . . 3.910 3.640 3.582 3.778 . 0 0 "[ . 1 . 2]" 1
32 1 8 VAL HA 1 11 TRP HB2 . . 4.590 3.005 2.908 3.151 . 0 0 "[ . 1 . 2]" 1
33 1 8 VAL HA 1 11 TRP HD1 . . 4.000 2.934 2.898 3.008 . 0 0 "[ . 1 . 2]" 1
34 1 8 VAL HA 1 11 TRP HE1 . . 3.890 3.500 3.429 3.580 . 0 0 "[ . 1 . 2]" 1
35 1 8 VAL HA 1 11 TRP HE3 . . 5.190 4.584 4.462 4.668 . 0 0 "[ . 1 . 2]" 1
36 1 8 VAL HA 1 16 VAL MG2 . . 5.500 5.406 5.296 5.465 . 0 0 "[ . 1 . 2]" 1
37 1 8 VAL HA 1 41 GLY HA2 . . 5.500 5.325 5.209 5.402 . 0 0 "[ . 1 . 2]" 1
38 1 8 VAL HA 1 44 LEU QD . . 5.440 5.023 4.732 5.299 . 0 0 "[ . 1 . 2]" 1
39 1 8 VAL HB 1 9 SER H . . 3.610 2.992 2.990 2.997 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL HB 1 45 LEU MD1 . . 3.710 2.028 1.947 2.245 . 0 0 "[ . 1 . 2]" 1
41 1 8 VAL HB 1 45 LEU MD2 . . 3.710 2.625 2.118 3.099 . 0 0 "[ . 1 . 2]" 1
42 1 8 VAL HB 1 45 LEU HG . . 4.720 4.109 3.238 4.715 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL HB 1 73 LEU QD . . 4.900 4.032 3.766 4.204 . 0 0 "[ . 1 . 2]" 1
44 1 8 VAL QG 1 9 SER H . . 3.710 3.427 3.416 3.440 . 0 0 "[ . 1 . 2]" 1
45 1 8 VAL QG 1 9 SER HA . . 4.270 3.695 3.625 3.816 . 0 0 "[ . 1 . 2]" 1
46 1 8 VAL QG 1 9 SER QB . . 5.280 4.409 4.311 4.697 . 0 0 "[ . 1 . 2]" 1
47 1 8 VAL QG 1 11 TRP H . . 4.730 4.130 4.073 4.229 . 0 0 "[ . 1 . 2]" 1
48 1 8 VAL QG 1 11 TRP HB2 . . 4.500 3.193 2.986 3.348 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL QG 1 11 TRP HD1 . . 4.960 4.026 3.991 4.105 . 0 0 "[ . 1 . 2]" 1
50 1 8 VAL QG 1 11 TRP HE1 . . 4.070 3.557 3.469 3.660 . 0 0 "[ . 1 . 2]" 1
51 1 8 VAL QG 1 11 TRP HE3 . . 4.030 3.502 3.415 3.649 . 0 0 "[ . 1 . 2]" 1
52 1 8 VAL QG 1 11 TRP HH2 . . 4.260 4.260 4.259 4.261 0.001 11 0 "[ . 1 . 2]" 1
53 1 8 VAL QG 1 11 TRP HZ2 . . 3.950 3.725 3.686 3.790 . 0 0 "[ . 1 . 2]" 1
54 1 8 VAL QG 1 11 TRP HZ3 . . 4.410 4.118 4.067 4.185 . 0 0 "[ . 1 . 2]" 1
55 1 8 VAL QG 1 16 VAL HA . . 5.440 5.437 5.418 5.441 0.001 20 0 "[ . 1 . 2]" 1
56 1 8 VAL QG 1 41 GLY HA2 . . 4.290 3.550 3.392 3.725 . 0 0 "[ . 1 . 2]" 1
57 1 8 VAL QG 1 41 GLY HA3 . . 4.230 3.441 3.219 3.746 . 0 0 "[ . 1 . 2]" 1
58 1 8 VAL QG 1 44 LEU HB3 . . 4.520 3.681 3.434 3.770 . 0 0 "[ . 1 . 2]" 1
59 1 8 VAL QG 1 44 LEU QD . . 3.520 2.675 2.394 3.024 . 0 0 "[ . 1 . 2]" 1
60 1 8 VAL QG 1 44 LEU HG . . 4.550 4.242 3.670 4.500 . 0 0 "[ . 1 . 2]" 1
61 1 8 VAL QG 1 45 LEU H . . 4.470 3.847 3.587 4.016 . 0 0 "[ . 1 . 2]" 1
62 1 8 VAL QG 1 45 LEU HA . . 4.680 3.905 3.718 4.120 . 0 0 "[ . 1 . 2]" 1
63 1 8 VAL QG 1 45 LEU HB2 . . 4.960 3.728 3.156 4.137 . 0 0 "[ . 1 . 2]" 1
64 1 8 VAL QG 1 45 LEU HB3 . . 5.050 4.540 4.237 4.911 . 0 0 "[ . 1 . 2]" 1
65 1 8 VAL QG 1 45 LEU QD . . 2.930 1.874 1.790 1.997 . 0 0 "[ . 1 . 2]" 1
66 1 8 VAL QG 1 45 LEU HG . . 4.330 3.152 1.906 4.165 . 0 0 "[ . 1 . 2]" 1
67 1 8 VAL QG 1 70 VAL HA . . 5.440 4.704 4.545 4.855 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL QG 1 73 LEU HA . . 4.810 3.577 3.262 3.799 . 0 0 "[ . 1 . 2]" 1
69 1 8 VAL QG 1 73 LEU HB2 . . 4.070 3.353 3.132 3.565 . 0 0 "[ . 1 . 2]" 1
70 1 8 VAL QG 1 73 LEU HB3 . . 3.380 2.124 1.939 2.369 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL QG 1 73 LEU QD . . 2.880 1.912 1.695 2.085 . 0 0 "[ . 1 . 2]" 1
72 1 8 VAL QG 1 73 LEU HG . . 4.040 3.856 2.548 4.046 0.006 20 0 "[ . 1 . 2]" 1
73 1 8 VAL QG 1 76 LEU QB . . 5.110 4.602 3.855 5.105 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL QG 1 77 ASN QB . . 4.130 3.216 2.474 3.913 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL QG 1 77 ASN QD . . 4.630 2.481 1.948 3.425 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL MG1 1 9 SER H . . 4.340 3.835 3.790 3.894 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL MG1 1 9 SER HA . . 5.500 3.762 3.682 3.903 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL MG1 1 11 TRP HE1 . . 5.020 4.750 4.645 4.872 . 0 0 "[ . 1 . 2]" 1
79 1 8 VAL MG1 1 11 TRP HE3 . . 5.150 3.571 3.478 3.732 . 0 0 "[ . 1 . 2]" 1
80 1 8 VAL MG1 1 11 TRP HH2 . . 5.000 4.862 4.790 5.000 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL MG1 1 11 TRP HZ2 . . 5.310 4.826 4.727 4.976 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL MG1 1 11 TRP HZ3 . . 5.310 4.317 4.265 4.398 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL MG1 1 45 LEU MD1 . . 4.260 2.008 1.814 2.532 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL MG1 1 45 LEU MD2 . . 4.260 2.855 1.909 3.593 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL MG1 1 73 LEU HB2 . . 4.850 3.701 3.393 4.017 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL MG1 1 73 LEU HB3 . . 4.250 2.610 2.238 2.948 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL MG1 1 73 LEU MD1 . . 4.060 2.368 2.090 2.662 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL MG1 1 73 LEU MD2 . . 4.060 3.011 2.616 3.857 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL MG1 1 73 LEU HG . . 4.750 4.490 2.632 4.758 0.008 4 0 "[ . 1 . 2]" 1
90 1 8 VAL MG2 1 9 SER H . . 4.340 3.860 3.821 3.905 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL MG2 1 9 SER HA . . 5.500 5.396 5.383 5.413 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL MG2 1 11 TRP HE1 . . 5.020 3.675 3.575 3.785 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL MG2 1 11 TRP HE3 . . 5.150 5.062 4.904 5.150 0.000 10 0 "[ . 1 . 2]" 1
94 1 8 VAL MG2 1 11 TRP HH2 . . 5.000 4.714 4.615 4.773 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL MG2 1 11 TRP HZ2 . . 5.310 3.876 3.833 3.958 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL MG2 1 11 TRP HZ3 . . 5.310 5.208 5.065 5.308 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL MG2 1 45 LEU MD1 . . 4.260 3.309 3.013 3.733 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL MG2 1 45 LEU MD2 . . 4.260 3.648 2.857 4.251 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL MG2 1 73 LEU HB2 . . 4.850 3.845 3.658 4.066 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL MG2 1 73 LEU HB3 . . 4.250 2.260 2.049 2.566 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL MG2 1 73 LEU MD1 . . 4.060 2.989 1.798 3.376 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL MG2 1 73 LEU MD2 . . 4.060 2.209 1.947 3.867 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL MG2 1 73 LEU HG . . 4.750 4.227 3.403 4.428 . 0 0 "[ . 1 . 2]" 1
104 1 9 SER H 1 9 SER HB2 . . 3.640 3.474 2.163 3.604 . 0 0 "[ . 1 . 2]" 1
105 1 9 SER H 1 9 SER QB . . 3.110 2.568 2.122 2.885 . 0 0 "[ . 1 . 2]" 1
106 1 9 SER H 1 9 SER HB3 . . 3.640 2.726 2.423 3.464 . 0 0 "[ . 1 . 2]" 1
107 1 9 SER H 1 10 LYS H . . 3.390 2.492 2.468 2.506 . 0 0 "[ . 1 . 2]" 1
108 1 9 SER H 1 11 TRP H . . 4.850 4.099 4.077 4.115 . 0 0 "[ . 1 . 2]" 1
109 1 9 SER H 1 45 LEU MD1 . . 4.430 3.403 2.648 4.213 . 0 0 "[ . 1 . 2]" 1
110 1 9 SER H 1 45 LEU QD . . 3.550 2.909 2.629 3.172 . 0 0 "[ . 1 . 2]" 1
111 1 9 SER H 1 45 LEU MD2 . . 4.430 3.736 2.988 4.433 0.003 20 0 "[ . 1 . 2]" 1
112 1 9 SER HA 1 11 TRP H . . 4.610 3.752 3.678 3.786 . 0 0 "[ . 1 . 2]" 1
113 1 9 SER HA 1 41 GLY HA3 . . 4.640 3.857 3.581 4.013 . 0 0 "[ . 1 . 2]" 1
114 1 9 SER HA 1 42 ASP H . . 4.320 3.917 3.753 4.059 . 0 0 "[ . 1 . 2]" 1
115 1 9 SER HA 1 42 ASP HA . . 3.440 2.853 2.635 3.009 . 0 0 "[ . 1 . 2]" 1
116 1 9 SER HA 1 42 ASP QB . . 4.100 4.000 3.809 4.104 0.004 1 0 "[ . 1 . 2]" 1
117 1 9 SER HA 1 45 LEU HB2 . . 4.680 3.654 2.901 4.241 . 0 0 "[ . 1 . 2]" 1
118 1 9 SER HA 1 45 LEU MD1 . . 4.930 2.921 1.889 3.930 . 0 0 "[ . 1 . 2]" 1
119 1 9 SER HA 1 45 LEU QD . . 3.540 2.303 1.886 2.807 . 0 0 "[ . 1 . 2]" 1
120 1 9 SER HA 1 45 LEU MD2 . . 4.930 3.448 2.456 4.476 . 0 0 "[ . 1 . 2]" 1
121 1 9 SER HA 1 45 LEU HG . . 5.360 4.821 3.593 5.364 0.004 5 0 "[ . 1 . 2]" 1
122 1 9 SER QB 1 10 LYS QG . . 5.060 3.361 2.685 3.652 . 0 0 "[ . 1 . 2]" 1
123 1 9 SER QB 1 42 ASP H . . 5.340 5.070 4.920 5.224 . 0 0 "[ . 1 . 2]" 1
124 1 9 SER QB 1 42 ASP HA . . 3.870 3.666 3.331 3.868 . 0 0 "[ . 1 . 2]" 1
125 1 9 SER QB 1 42 ASP QB . . 4.200 4.111 3.925 4.206 0.006 6 0 "[ . 1 . 2]" 1
126 1 9 SER QB 1 45 LEU QD . . 3.420 2.407 2.218 2.631 . 0 0 "[ . 1 . 2]" 1
127 1 9 SER HB2 1 10 LYS H . . 4.730 3.842 3.131 4.097 . 0 0 "[ . 1 . 2]" 1
128 1 9 SER HB2 1 42 ASP HA . . 4.620 3.995 3.415 4.619 . 0 0 "[ . 1 . 2]" 1
129 1 9 SER HB3 1 10 LYS H . . 4.730 4.041 3.024 4.284 . 0 0 "[ . 1 . 2]" 1
130 1 9 SER HB3 1 42 ASP HA . . 4.620 4.461 3.566 4.625 0.005 6 0 "[ . 1 . 2]" 1
131 1 10 LYS H 1 10 LYS HB2 . . 3.160 2.615 2.553 2.671 . 0 0 "[ . 1 . 2]" 1
132 1 10 LYS H 1 10 LYS HB3 . . 3.880 3.717 3.691 3.729 . 0 0 "[ . 1 . 2]" 1
133 1 10 LYS H 1 10 LYS HD2 . . 5.500 5.049 4.875 5.267 . 0 0 "[ . 1 . 2]" 1
134 1 10 LYS H 1 10 LYS HD3 . . 5.500 4.989 4.815 5.184 . 0 0 "[ . 1 . 2]" 1
135 1 10 LYS H 1 10 LYS HG2 . . 3.790 2.887 2.756 3.054 . 0 0 "[ . 1 . 2]" 1
136 1 10 LYS H 1 10 LYS HG3 . . 3.790 3.134 2.914 3.334 . 0 0 "[ . 1 . 2]" 1
137 1 10 LYS H 1 11 TRP H . . 3.020 2.593 2.563 2.675 . 0 0 "[ . 1 . 2]" 1
138 1 10 LYS H 1 11 TRP HB2 . . 4.590 4.323 4.288 4.416 . 0 0 "[ . 1 . 2]" 1
139 1 10 LYS H 1 11 TRP HD1 . . 4.700 3.931 3.900 4.013 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS HA 1 10 LYS HD2 . . 4.620 4.047 3.117 4.619 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS HA 1 10 LYS QD . . 4.000 3.324 3.011 3.935 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS HA 1 10 LYS HD3 . . 4.620 3.697 3.079 4.326 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS HA 1 10 LYS HG2 . . 3.970 2.565 2.506 2.624 . 0 0 "[ . 1 . 2]" 1
144 1 10 LYS HA 1 10 LYS QG . . 3.460 2.522 2.466 2.578 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS HA 1 10 LYS HG3 . . 3.970 3.731 3.659 3.779 . 0 0 "[ . 1 . 2]" 1
146 1 10 LYS HA 1 11 TRP H . . 3.480 3.002 3.001 3.003 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS HB2 1 11 TRP H . . 4.170 3.985 3.984 3.989 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS HB3 1 10 LYS QD . . 3.720 2.112 1.987 2.357 . 0 0 "[ . 1 . 2]" 1
149 1 10 LYS HB3 1 10 LYS HE2 . . 5.240 3.785 2.030 4.517 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS HB3 1 10 LYS HE3 . . 5.240 3.758 2.537 4.536 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS HB3 1 11 TRP HA . . 5.500 5.026 4.951 5.086 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HB3 1 11 TRP HD1 . . 5.500 5.468 5.397 5.500 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS QG 1 11 TRP H . . 4.620 4.391 4.348 4.436 . 0 0 "[ . 1 . 2]" 1
154 1 10 LYS HG2 1 11 TRP H . . 5.500 4.679 4.630 4.741 . 0 0 "[ . 1 . 2]" 1
155 1 10 LYS HG3 1 11 TRP H . . 5.500 5.322 5.152 5.457 . 0 0 "[ . 1 . 2]" 1
156 1 11 TRP H 1 11 TRP HB2 . . 3.040 2.124 2.122 2.127 . 0 0 "[ . 1 . 2]" 1
157 1 11 TRP H 1 11 TRP HD1 . . 3.770 3.325 3.316 3.339 . 0 0 "[ . 1 . 2]" 1
158 1 11 TRP H 1 11 TRP HE3 . . 5.500 5.476 5.470 5.482 . 0 0 "[ . 1 . 2]" 1
159 1 11 TRP H 1 12 SER H . . 4.630 4.542 4.516 4.573 . 0 0 "[ . 1 . 2]" 1
160 1 11 TRP H 1 16 VAL MG2 . . 5.180 4.993 4.812 5.132 . 0 0 "[ . 1 . 2]" 1
161 1 11 TRP H 1 41 GLY H . . 4.360 3.767 3.675 3.872 . 0 0 "[ . 1 . 2]" 1
162 1 11 TRP H 1 41 GLY HA2 . . 4.690 4.450 4.151 4.676 . 0 0 "[ . 1 . 2]" 1
163 1 11 TRP H 1 41 GLY HA3 . . 5.000 2.721 2.433 2.931 . 0 0 "[ . 1 . 2]" 1
164 1 11 TRP HA 1 11 TRP HD1 . . 3.170 2.260 2.256 2.265 . 0 0 "[ . 1 . 2]" 1
165 1 11 TRP HA 1 11 TRP HE1 . . 4.750 4.471 4.470 4.473 . 0 0 "[ . 1 . 2]" 1
166 1 11 TRP HA 1 12 SER H . . 2.780 2.156 2.146 2.175 . 0 0 "[ . 1 . 2]" 1
167 1 11 TRP HA 1 15 GLN HB2 . . 4.620 4.018 3.982 4.076 . 0 0 "[ . 1 . 2]" 1
168 1 11 TRP HA 1 41 GLY HA3 . . 5.000 4.512 4.352 4.647 . 0 0 "[ . 1 . 2]" 1
169 1 11 TRP HB2 1 41 GLY H . . 3.890 3.332 3.239 3.439 . 0 0 "[ . 1 . 2]" 1
170 1 11 TRP HB2 1 41 GLY HA2 . . 3.930 3.191 3.040 3.345 . 0 0 "[ . 1 . 2]" 1
171 1 11 TRP HB2 1 41 GLY HA3 . . 3.610 1.997 1.990 2.004 . 0 0 "[ . 1 . 2]" 1
172 1 11 TRP HB3 1 11 TRP HE3 . . 3.530 2.576 2.570 2.583 . 0 0 "[ . 1 . 2]" 1
173 1 11 TRP HB3 1 12 SER H . . 3.670 3.424 3.307 3.509 . 0 0 "[ . 1 . 2]" 1
174 1 11 TRP HB3 1 15 GLN H . . 5.280 5.140 5.090 5.183 . 0 0 "[ . 1 . 2]" 1
175 1 11 TRP HB3 1 15 GLN HB2 . . 3.750 3.430 3.289 3.537 . 0 0 "[ . 1 . 2]" 1
176 1 11 TRP HB3 1 15 GLN HB3 . . 4.000 4.001 4.000 4.002 0.002 20 0 "[ . 1 . 2]" 1
177 1 11 TRP HB3 1 15 GLN QG . . 5.170 4.733 4.547 5.011 . 0 0 "[ . 1 . 2]" 1
178 1 11 TRP HB3 1 16 VAL H . . 4.370 3.884 3.744 3.982 . 0 0 "[ . 1 . 2]" 1
179 1 11 TRP HB3 1 16 VAL MG1 . . 5.500 4.940 4.841 5.148 . 0 0 "[ . 1 . 2]" 1
180 1 11 TRP HB3 1 16 VAL MG2 . . 3.510 2.500 2.368 2.671 . 0 0 "[ . 1 . 2]" 1
181 1 11 TRP HB3 1 41 GLY H . . 4.170 3.248 3.161 3.432 . 0 0 "[ . 1 . 2]" 1
182 1 11 TRP HB3 1 41 GLY HA2 . . 4.470 3.677 3.599 3.779 . 0 0 "[ . 1 . 2]" 1
183 1 11 TRP HD1 1 12 SER H . . 4.350 4.267 4.263 4.271 . 0 0 "[ . 1 . 2]" 1
184 1 11 TRP HD1 1 15 GLN HB2 . . 5.500 5.503 5.502 5.504 0.004 11 0 "[ . 1 . 2]" 1
185 1 11 TRP HE3 1 15 GLN HB2 . . 5.190 4.329 4.063 4.519 . 0 0 "[ . 1 . 2]" 1
186 1 11 TRP HE3 1 15 GLN HB3 . . 5.190 3.988 3.849 4.082 . 0 0 "[ . 1 . 2]" 1
187 1 11 TRP HE3 1 16 VAL H . . 4.530 3.817 3.687 3.966 . 0 0 "[ . 1 . 2]" 1
188 1 11 TRP HE3 1 16 VAL HA . . 3.520 2.690 2.572 2.850 . 0 0 "[ . 1 . 2]" 1
189 1 11 TRP HE3 1 16 VAL HB . . 5.000 4.644 4.510 4.757 . 0 0 "[ . 1 . 2]" 1
190 1 11 TRP HE3 1 16 VAL MG1 . . 4.510 3.603 3.475 3.808 . 0 0 "[ . 1 . 2]" 1
191 1 11 TRP HE3 1 16 VAL MG2 . . 3.100 2.073 1.957 2.208 . 0 0 "[ . 1 . 2]" 1
192 1 11 TRP HE3 1 41 GLY HA2 . . 4.720 4.136 3.994 4.322 . 0 0 "[ . 1 . 2]" 1
193 1 11 TRP HE3 1 41 GLY HA3 . . 4.720 4.404 4.214 4.638 . 0 0 "[ . 1 . 2]" 1
194 1 11 TRP HE3 1 44 LEU QD . . 4.180 3.254 3.010 3.475 . 0 0 "[ . 1 . 2]" 1
195 1 11 TRP HE3 1 73 LEU MD1 . . 5.500 4.162 3.954 4.316 . 0 0 "[ . 1 . 2]" 1
196 1 11 TRP HE3 1 73 LEU MD2 . . 5.500 4.896 4.427 5.505 0.005 18 0 "[ . 1 . 2]" 1
197 1 11 TRP HH2 1 16 VAL HA . . 5.500 5.005 4.936 5.066 . 0 0 "[ . 1 . 2]" 1
198 1 11 TRP HH2 1 19 TRP HB2 . . 4.000 2.978 2.857 3.118 . 0 0 "[ . 1 . 2]" 1
199 1 11 TRP HH2 1 19 TRP HB3 . . 4.810 4.578 4.441 4.690 . 0 0 "[ . 1 . 2]" 1
200 1 11 TRP HH2 1 19 TRP HD1 . . 3.800 3.483 3.398 3.633 . 0 0 "[ . 1 . 2]" 1
201 1 11 TRP HH2 1 19 TRP HE1 . . 5.110 5.109 5.102 5.112 0.002 6 0 "[ . 1 . 2]" 1
202 1 11 TRP HH2 1 73 LEU MD1 . . 4.030 3.407 2.808 3.709 . 0 0 "[ . 1 . 2]" 1
203 1 11 TRP HH2 1 73 LEU QD . . 3.190 2.762 2.532 2.986 . 0 0 "[ . 1 . 2]" 1
204 1 11 TRP HH2 1 73 LEU MD2 . . 4.030 2.962 2.616 3.551 . 0 0 "[ . 1 . 2]" 1
205 1 11 TRP HZ2 1 19 TRP HB2 . . 5.500 5.272 5.147 5.423 . 0 0 "[ . 1 . 2]" 1
206 1 11 TRP HZ2 1 73 LEU MD1 . . 5.380 4.597 3.163 4.972 . 0 0 "[ . 1 . 2]" 1
207 1 11 TRP HZ2 1 73 LEU QD . . 3.900 3.258 3.054 3.396 . 0 0 "[ . 1 . 2]" 1
208 1 11 TRP HZ2 1 73 LEU MD2 . . 5.380 3.412 3.100 4.872 . 0 0 "[ . 1 . 2]" 1
209 1 11 TRP HZ3 1 16 VAL HA . . 3.970 2.789 2.727 2.878 . 0 0 "[ . 1 . 2]" 1
210 1 11 TRP HZ3 1 16 VAL MG1 . . 4.930 3.746 3.625 3.887 . 0 0 "[ . 1 . 2]" 1
211 1 11 TRP HZ3 1 16 VAL MG2 . . 4.490 3.717 3.580 3.832 . 0 0 "[ . 1 . 2]" 1
212 1 11 TRP HZ3 1 19 TRP H . . 4.890 4.202 4.090 4.310 . 0 0 "[ . 1 . 2]" 1
213 1 11 TRP HZ3 1 19 TRP HA . . 4.850 4.492 4.370 4.662 . 0 0 "[ . 1 . 2]" 1
214 1 11 TRP HZ3 1 19 TRP HB2 . . 3.800 2.107 2.001 2.267 . 0 0 "[ . 1 . 2]" 1
215 1 11 TRP HZ3 1 19 TRP HB3 . . 3.900 2.946 2.824 3.130 . 0 0 "[ . 1 . 2]" 1
216 1 11 TRP HZ3 1 19 TRP HD1 . . 4.620 4.160 4.011 4.357 . 0 0 "[ . 1 . 2]" 1
217 1 11 TRP HZ3 1 19 TRP HE3 . . 4.720 4.208 4.085 4.326 . 0 0 "[ . 1 . 2]" 1
218 1 11 TRP HZ3 1 44 LEU QD . . 4.050 3.621 3.345 3.892 . 0 0 "[ . 1 . 2]" 1
219 1 11 TRP HZ3 1 73 LEU MD1 . . 4.860 3.168 2.914 3.648 . 0 0 "[ . 1 . 2]" 1
220 1 11 TRP HZ3 1 73 LEU QD . . 4.070 3.029 2.823 3.385 . 0 0 "[ . 1 . 2]" 1
221 1 11 TRP HZ3 1 73 LEU MD2 . . 4.860 3.884 3.415 4.253 . 0 0 "[ . 1 . 2]" 1
222 1 12 SER H 1 12 SER HB2 . . 3.840 2.746 2.074 3.435 . 0 0 "[ . 1 . 2]" 1
223 1 12 SER H 1 12 SER QB . . 3.230 2.417 2.054 2.920 . 0 0 "[ . 1 . 2]" 1
224 1 12 SER H 1 12 SER HB3 . . 3.840 3.188 2.115 3.466 . 0 0 "[ . 1 . 2]" 1
225 1 12 SER H 1 13 PRO HD2 . . 4.810 4.717 4.714 4.722 . 0 0 "[ . 1 . 2]" 1
226 1 12 SER H 1 15 GLN H . . 4.340 4.165 4.108 4.203 . 0 0 "[ . 1 . 2]" 1
227 1 12 SER H 1 15 GLN HB2 . . 3.480 2.825 2.799 2.842 . 0 0 "[ . 1 . 2]" 1
228 1 12 SER H 1 15 GLN HB3 . . 4.050 4.052 4.051 4.053 0.003 18 0 "[ . 1 . 2]" 1
229 1 12 SER H 1 15 GLN HG2 . . 4.510 4.220 3.758 4.510 . 0 0 "[ . 1 . 2]" 1
230 1 12 SER H 1 15 GLN HG3 . . 4.510 2.801 2.644 3.316 . 0 0 "[ . 1 . 2]" 1
231 1 12 SER H 1 16 VAL H . . 5.420 4.921 4.852 4.976 . 0 0 "[ . 1 . 2]" 1
232 1 12 SER H 1 16 VAL MG2 . . 4.970 4.616 4.513 4.734 . 0 0 "[ . 1 . 2]" 1
233 1 12 SER HA 1 13 PRO HD2 . . 3.390 2.511 2.510 2.512 . 0 0 "[ . 1 . 2]" 1
234 1 12 SER HA 1 13 PRO HD3 . . 3.570 2.347 2.347 2.348 . 0 0 "[ . 1 . 2]" 1
235 1 12 SER HA 1 13 PRO HG2 . . 4.720 4.603 4.603 4.604 . 0 0 "[ . 1 . 2]" 1
236 1 12 SER QB 1 13 PRO HD2 . . 3.320 2.110 1.964 2.386 . 0 0 "[ . 1 . 2]" 1
237 1 12 SER QB 1 13 PRO HG2 . . 4.730 3.783 3.679 4.022 . 0 0 "[ . 1 . 2]" 1
238 1 12 SER QB 1 14 SER H . . 4.240 2.390 2.188 3.238 . 0 0 "[ . 1 . 2]" 1
239 1 12 SER QB 1 15 GLN H . . 3.950 2.555 2.234 3.428 . 0 0 "[ . 1 . 2]" 1
240 1 12 SER QB 1 15 GLN QG . . 4.500 2.444 1.933 3.145 . 0 0 "[ . 1 . 2]" 1
241 1 12 SER HB2 1 14 SER H . . 4.870 3.142 2.203 3.951 . 0 0 "[ . 1 . 2]" 1
242 1 12 SER HB2 1 15 GLN H . . 4.680 2.968 2.246 3.994 . 0 0 "[ . 1 . 2]" 1
243 1 12 SER HB3 1 14 SER H . . 4.870 3.039 2.211 4.146 . 0 0 "[ . 1 . 2]" 1
244 1 12 SER HB3 1 15 GLN H . . 4.680 3.345 2.409 4.211 . 0 0 "[ . 1 . 2]" 1
245 1 13 PRO HA 1 15 GLN H . . 4.920 4.340 4.323 4.350 . 0 0 "[ . 1 . 2]" 1
246 1 13 PRO HA 1 16 VAL H . . 4.250 4.081 4.030 4.135 . 0 0 "[ . 1 . 2]" 1
247 1 13 PRO HA 1 16 VAL HB . . 3.980 3.950 3.865 3.980 0.000 15 0 "[ . 1 . 2]" 1
248 1 13 PRO HA 1 16 VAL MG1 . . 5.450 5.051 4.974 5.096 . 0 0 "[ . 1 . 2]" 1
249 1 13 PRO HA 1 16 VAL MG2 . . 4.000 3.232 3.047 3.475 . 0 0 "[ . 1 . 2]" 1
250 1 13 PRO HA 1 17 VAL H . . 5.500 5.328 5.145 5.439 . 0 0 "[ . 1 . 2]" 1
251 1 13 PRO HA 1 40 SER HA . . 3.870 2.074 2.000 2.237 . 0 0 "[ . 1 . 2]" 1
252 1 13 PRO QB 1 14 SER H . . 4.000 3.405 3.387 3.431 . 0 0 "[ . 1 . 2]" 1
253 1 13 PRO QB 1 16 VAL MG2 . . 5.340 4.716 4.608 4.889 . 0 0 "[ . 1 . 2]" 1
254 1 13 PRO QB 1 17 VAL QG . . 5.280 4.547 4.410 4.652 . 0 0 "[ . 1 . 2]" 1
255 1 13 PRO QB 1 38 LYS H . . 4.530 4.468 4.434 4.492 . 0 0 "[ . 1 . 2]" 1
256 1 13 PRO QB 1 38 LYS HA . . 3.480 2.384 2.344 2.402 . 0 0 "[ . 1 . 2]" 1
257 1 13 PRO QB 1 39 ILE H . . 4.730 4.045 3.952 4.149 . 0 0 "[ . 1 . 2]" 1
258 1 13 PRO QB 1 40 SER HA . . 4.880 3.190 3.077 3.285 . 0 0 "[ . 1 . 2]" 1
259 1 13 PRO HB2 1 38 LYS HA . . 4.260 2.419 2.381 2.438 . 0 0 "[ . 1 . 2]" 1
260 1 13 PRO HB3 1 38 LYS HA . . 4.260 3.612 3.506 3.687 . 0 0 "[ . 1 . 2]" 1
261 1 13 PRO HD2 1 14 SER H . . 4.580 2.697 2.688 2.710 . 0 0 "[ . 1 . 2]" 1
262 1 13 PRO HD3 1 40 SER HA . . 4.260 3.995 3.883 4.113 . 0 0 "[ . 1 . 2]" 1
263 1 13 PRO HG2 1 38 LYS HA . . 4.540 4.532 4.498 4.548 0.008 16 0 "[ . 1 . 2]" 1
264 1 13 PRO HG2 1 40 SER QB . . 5.340 5.170 4.879 5.342 0.002 9 0 "[ . 1 . 2]" 1
265 1 13 PRO HG3 1 38 LYS HA . . 4.910 4.882 4.816 4.911 0.001 17 0 "[ . 1 . 2]" 1
266 1 13 PRO HG3 1 40 SER QB . . 4.430 4.172 3.891 4.428 . 0 0 "[ . 1 . 2]" 1
267 1 14 SER H 1 14 SER QB . . 3.530 2.438 2.177 2.997 . 0 0 "[ . 1 . 2]" 1
268 1 14 SER H 1 15 GLN H . . 3.800 2.190 2.190 2.192 . 0 0 "[ . 1 . 2]" 1
269 1 14 SER H 1 15 GLN HB2 . . 5.500 4.166 4.118 4.217 . 0 0 "[ . 1 . 2]" 1
270 1 14 SER HA 1 16 VAL H . . 4.810 4.453 4.384 4.527 . 0 0 "[ . 1 . 2]" 1
271 1 14 SER HA 1 17 VAL H . . 3.850 3.566 3.514 3.601 . 0 0 "[ . 1 . 2]" 1
272 1 14 SER HA 1 17 VAL HB . . 3.900 3.625 3.496 3.796 . 0 0 "[ . 1 . 2]" 1
273 1 14 SER HA 1 17 VAL MG1 . . 4.730 4.520 4.405 4.650 . 0 0 "[ . 1 . 2]" 1
274 1 14 SER HA 1 17 VAL QG . . 3.550 2.208 2.018 2.507 . 0 0 "[ . 1 . 2]" 1
275 1 14 SER HA 1 17 VAL MG2 . . 4.730 2.214 2.021 2.519 . 0 0 "[ . 1 . 2]" 1
276 1 14 SER HA 1 18 ASP H . . 5.500 5.176 5.077 5.250 . 0 0 "[ . 1 . 2]" 1
277 1 14 SER QB 1 15 GLN H . . 3.480 3.003 2.893 3.280 . 0 0 "[ . 1 . 2]" 1
278 1 14 SER QB 1 15 GLN QG . . 5.020 3.801 3.613 4.070 . 0 0 "[ . 1 . 2]" 1
279 1 14 SER QB 1 17 VAL QG . . 4.290 3.761 3.478 4.006 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLN H 1 15 GLN HB2 . . 3.130 2.259 2.214 2.307 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLN H 1 15 GLN HB3 . . 3.590 3.535 3.511 3.555 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLN H 1 15 GLN HG2 . . 3.680 2.904 2.590 3.680 0.000 4 0 "[ . 1 . 2]" 1
283 1 15 GLN H 1 15 GLN QG . . 3.070 2.719 2.541 2.834 . 0 0 "[ . 1 . 2]" 1
284 1 15 GLN H 1 15 GLN HG3 . . 3.680 3.430 2.607 3.680 0.000 15 0 "[ . 1 . 2]" 1
285 1 15 GLN H 1 16 VAL H . . 3.120 2.675 2.636 2.705 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLN H 1 16 VAL HB . . 4.890 4.861 4.838 4.877 . 0 0 "[ . 1 . 2]" 1
287 1 15 GLN H 1 16 VAL MG2 . . 4.850 4.043 3.916 4.161 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLN H 1 17 VAL H . . 4.940 4.062 3.994 4.131 . 0 0 "[ . 1 . 2]" 1
289 1 15 GLN HA 1 15 GLN HG2 . . 3.790 2.412 2.237 2.720 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLN HA 1 15 GLN QG . . 3.300 2.375 2.214 2.654 . 0 0 "[ . 1 . 2]" 1
291 1 15 GLN HA 1 15 GLN HG3 . . 3.790 3.594 2.967 3.697 . 0 0 "[ . 1 . 2]" 1
292 1 15 GLN HA 1 18 ASP H . . 3.820 3.398 3.348 3.451 . 0 0 "[ . 1 . 2]" 1
293 1 15 GLN HA 1 18 ASP HB2 . . 3.940 3.486 3.227 3.682 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLN HA 1 18 ASP QB . . 3.390 3.170 3.027 3.246 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLN HA 1 18 ASP HB3 . . 3.940 3.658 3.527 3.842 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLN HA 1 19 TRP H . . 5.000 4.955 4.867 4.998 . 0 0 "[ . 1 . 2]" 1
297 1 15 GLN HB2 1 15 GLN QE . . 4.480 3.894 3.005 4.357 . 0 0 "[ . 1 . 2]" 1
298 1 15 GLN HB2 1 16 VAL H . . 3.590 2.634 2.539 2.723 . 0 0 "[ . 1 . 2]" 1
299 1 15 GLN HB2 1 16 VAL HA . . 5.190 4.520 4.446 4.588 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLN HB2 1 16 VAL HB . . 5.500 5.190 5.085 5.281 . 0 0 "[ . 1 . 2]" 1
301 1 15 GLN HB2 1 16 VAL MG2 . . 4.000 3.460 3.336 3.545 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLN HB3 1 15 GLN QE . . 4.240 3.238 2.180 3.998 . 0 0 "[ . 1 . 2]" 1
303 1 15 GLN HB3 1 15 GLN HE22 . . 4.990 3.996 3.325 4.611 . 0 0 "[ . 1 . 2]" 1
304 1 15 GLN HB3 1 16 VAL H . . 3.990 3.291 3.222 3.351 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLN HB3 1 16 VAL HA . . 4.720 4.106 4.048 4.157 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLN HB3 1 18 ASP QB . . 5.340 4.410 4.307 4.483 . 0 0 "[ . 1 . 2]" 1
307 1 15 GLN QE 1 15 GLN QG . . 3.090 2.249 2.090 2.564 . 0 0 "[ . 1 . 2]" 1
308 1 15 GLN QG 1 16 VAL MG2 . . 5.340 4.914 4.813 5.047 . 0 0 "[ . 1 . 2]" 1
309 1 15 GLN HG2 1 16 VAL H . . 5.030 4.682 4.540 4.981 . 0 0 "[ . 1 . 2]" 1
310 1 15 GLN HG3 1 16 VAL H . . 5.030 4.808 4.542 4.892 . 0 0 "[ . 1 . 2]" 1
311 1 16 VAL H 1 16 VAL HB . . 3.010 2.605 2.590 2.624 . 0 0 "[ . 1 . 2]" 1
312 1 16 VAL H 1 16 VAL MG1 . . 4.150 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
313 1 16 VAL H 1 16 VAL MG2 . . 2.980 2.037 1.926 2.220 . 0 0 "[ . 1 . 2]" 1
314 1 16 VAL HA 1 16 VAL MG1 . . 3.320 2.322 2.294 2.385 . 0 0 "[ . 1 . 2]" 1
315 1 16 VAL HA 1 16 VAL MG2 . . 3.130 2.376 2.305 2.416 . 0 0 "[ . 1 . 2]" 1
316 1 16 VAL HA 1 17 VAL HA . . 5.150 4.819 4.796 4.839 . 0 0 "[ . 1 . 2]" 1
317 1 16 VAL HA 1 19 TRP H . . 3.790 3.331 3.243 3.431 . 0 0 "[ . 1 . 2]" 1
318 1 16 VAL HA 1 19 TRP HB2 . . 4.040 3.306 3.224 3.438 . 0 0 "[ . 1 . 2]" 1
319 1 16 VAL HA 1 19 TRP HB3 . . 3.670 2.904 2.817 3.031 . 0 0 "[ . 1 . 2]" 1
320 1 16 VAL HA 1 19 TRP HE3 . . 4.070 4.047 3.976 4.071 0.001 18 0 "[ . 1 . 2]" 1
321 1 16 VAL HA 1 20 MET H . . 4.780 4.619 4.561 4.709 . 0 0 "[ . 1 . 2]" 1
322 1 16 VAL HA 1 44 LEU QD . . 4.500 3.709 3.415 4.054 . 0 0 "[ . 1 . 2]" 1
323 1 16 VAL HB 1 17 VAL H . . 3.330 2.809 2.671 2.882 . 0 0 "[ . 1 . 2]" 1
324 1 16 VAL HB 1 17 VAL HB . . 5.500 5.313 5.216 5.385 . 0 0 "[ . 1 . 2]" 1
325 1 16 VAL HB 1 17 VAL QG . . 4.290 3.318 3.200 3.393 . 0 0 "[ . 1 . 2]" 1
326 1 16 VAL HB 1 20 MET QG . . 5.170 4.860 4.745 4.915 . 0 0 "[ . 1 . 2]" 1
327 1 16 VAL HB 1 39 ILE MG . . 4.850 3.992 3.889 4.104 . 0 0 "[ . 1 . 2]" 1
328 1 16 VAL HB 1 41 GLY H . . 5.500 5.473 5.337 5.501 0.001 15 0 "[ . 1 . 2]" 1
329 1 16 VAL MG1 1 17 VAL H . . 4.370 3.629 3.538 3.689 . 0 0 "[ . 1 . 2]" 1
330 1 16 VAL MG1 1 17 VAL HA . . 4.320 3.616 3.524 3.719 . 0 0 "[ . 1 . 2]" 1
331 1 16 VAL MG1 1 19 TRP HB2 . . 5.500 4.157 4.063 4.241 . 0 0 "[ . 1 . 2]" 1
332 1 16 VAL MG1 1 19 TRP HB3 . . 4.620 3.028 2.894 3.169 . 0 0 "[ . 1 . 2]" 1
333 1 16 VAL MG1 1 19 TRP HE3 . . 3.750 2.490 2.355 2.627 . 0 0 "[ . 1 . 2]" 1
334 1 16 VAL MG1 1 19 TRP HZ3 . . 4.320 3.754 3.663 3.928 . 0 0 "[ . 1 . 2]" 1
335 1 16 VAL MG1 1 20 MET H . . 4.610 3.976 3.863 4.070 . 0 0 "[ . 1 . 2]" 1
336 1 16 VAL MG1 1 20 MET HB3 . . 5.500 5.482 5.349 5.501 0.001 10 0 "[ . 1 . 2]" 1
337 1 16 VAL MG1 1 20 MET HG2 . . 4.160 3.310 3.035 3.731 . 0 0 "[ . 1 . 2]" 1
338 1 16 VAL MG1 1 20 MET QG . . 3.480 2.916 2.775 2.996 . 0 0 "[ . 1 . 2]" 1
339 1 16 VAL MG1 1 20 MET HG3 . . 4.160 3.312 3.036 3.511 . 0 0 "[ . 1 . 2]" 1
340 1 16 VAL MG1 1 34 PHE HB3 . . 4.380 3.910 3.707 4.045 . 0 0 "[ . 1 . 2]" 1
341 1 16 VAL MG1 1 34 PHE QD . . 3.320 2.510 2.200 2.896 . 0 0 "[ . 1 . 2]" 1
342 1 16 VAL MG1 1 34 PHE QE . . 4.320 3.134 2.935 3.402 . 0 0 "[ . 1 . 2]" 1
343 1 16 VAL MG1 1 39 ILE HB . . 3.970 3.311 2.991 3.570 . 0 0 "[ . 1 . 2]" 1
344 1 16 VAL MG1 1 41 GLY HA2 . . 4.530 4.112 3.946 4.223 . 0 0 "[ . 1 . 2]" 1
345 1 16 VAL MG1 1 44 LEU H . . 5.090 4.930 4.745 5.059 . 0 0 "[ . 1 . 2]" 1
346 1 16 VAL MG1 1 44 LEU HA . . 5.010 4.683 4.470 4.863 . 0 0 "[ . 1 . 2]" 1
347 1 16 VAL MG1 1 44 LEU HB3 . . 4.210 3.819 3.671 3.976 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL MG1 1 44 LEU QD . . 3.120 1.977 1.831 2.162 . 0 0 "[ . 1 . 2]" 1
349 1 16 VAL MG2 1 19 TRP HB3 . . 5.000 4.570 4.480 4.675 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL MG2 1 19 TRP HE3 . . 4.720 4.653 4.582 4.713 . 0 0 "[ . 1 . 2]" 1
351 1 16 VAL MG2 1 20 MET QG . . 5.340 5.178 5.093 5.218 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL MG2 1 34 PHE QD . . 5.070 4.574 4.453 4.697 . 0 0 "[ . 1 . 2]" 1
353 1 16 VAL MG2 1 40 SER H . . 4.870 4.573 4.422 4.762 . 0 0 "[ . 1 . 2]" 1
354 1 16 VAL MG2 1 40 SER HA . . 3.650 2.895 2.675 3.261 . 0 0 "[ . 1 . 2]" 1
355 1 16 VAL MG2 1 40 SER QB . . 5.170 4.305 4.118 4.638 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL MG2 1 41 GLY H . . 3.690 3.019 2.887 3.139 . 0 0 "[ . 1 . 2]" 1
357 1 16 VAL MG2 1 41 GLY HA2 . . 3.580 2.651 2.555 2.765 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL MG2 1 41 GLY HA3 . . 3.900 3.462 3.358 3.530 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL MG2 1 44 LEU H . . 4.550 4.314 4.116 4.415 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL MG2 1 44 LEU HB3 . . 4.450 3.410 3.130 3.610 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL MG2 1 44 LEU QD . . 3.370 2.444 2.038 2.787 . 0 0 "[ . 1 . 2]" 1
362 1 16 VAL MG2 1 45 LEU H . . 5.500 5.391 5.147 5.484 . 0 0 "[ . 1 . 2]" 1
363 1 17 VAL H 1 17 VAL HB . . 2.970 2.637 2.546 2.675 . 0 0 "[ . 1 . 2]" 1
364 1 17 VAL H 1 17 VAL MG1 . . 3.820 3.761 3.758 3.764 . 0 0 "[ . 1 . 2]" 1
365 1 17 VAL H 1 17 VAL QG . . 2.830 2.009 1.912 2.148 . 0 0 "[ . 1 . 2]" 1
366 1 17 VAL H 1 17 VAL MG2 . . 3.820 2.017 1.918 2.160 . 0 0 "[ . 1 . 2]" 1
367 1 17 VAL H 1 18 ASP H . . 3.430 2.670 2.600 2.701 . 0 0 "[ . 1 . 2]" 1
368 1 17 VAL H 1 18 ASP QB . . 4.950 4.437 4.360 4.473 . 0 0 "[ . 1 . 2]" 1
369 1 17 VAL H 1 20 MET H . . 5.180 5.066 4.997 5.109 . 0 0 "[ . 1 . 2]" 1
370 1 17 VAL H 1 31 ILE MG . . 5.500 5.329 5.260 5.421 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL H 1 34 PHE HB3 . . 5.310 4.956 4.856 5.110 . 0 0 "[ . 1 . 2]" 1
372 1 17 VAL HA 1 17 VAL MG1 . . 3.210 2.375 2.344 2.389 . 0 0 "[ . 1 . 2]" 1
373 1 17 VAL HA 1 17 VAL MG2 . . 3.210 2.413 2.372 2.438 . 0 0 "[ . 1 . 2]" 1
374 1 17 VAL HA 1 18 ASP HA . . 5.000 4.765 4.737 4.805 . 0 0 "[ . 1 . 2]" 1
375 1 17 VAL HA 1 19 TRP H . . 4.830 4.042 4.014 4.102 . 0 0 "[ . 1 . 2]" 1
376 1 17 VAL HA 1 20 MET H . . 3.740 3.537 3.433 3.589 . 0 0 "[ . 1 . 2]" 1
377 1 17 VAL HA 1 20 MET HB2 . . 3.580 3.449 3.282 3.577 . 0 0 "[ . 1 . 2]" 1
378 1 17 VAL HA 1 20 MET HB3 . . 5.050 4.951 4.800 5.023 . 0 0 "[ . 1 . 2]" 1
379 1 17 VAL HA 1 20 MET QG . . 3.580 2.900 2.641 3.048 . 0 0 "[ . 1 . 2]" 1
380 1 17 VAL HA 1 21 LYS H . . 5.500 4.898 4.819 4.950 . 0 0 "[ . 1 . 2]" 1
381 1 17 VAL HA 1 31 ILE MD . . 5.150 4.739 4.653 4.826 . 0 0 "[ . 1 . 2]" 1
382 1 17 VAL HA 1 31 ILE MG . . 4.040 3.133 3.016 3.359 . 0 0 "[ . 1 . 2]" 1
383 1 17 VAL HB 1 18 ASP H . . 3.950 2.680 2.530 2.805 . 0 0 "[ . 1 . 2]" 1
384 1 17 VAL QG 1 18 ASP H . . 3.500 3.296 3.225 3.359 . 0 0 "[ . 1 . 2]" 1
385 1 17 VAL QG 1 18 ASP HA . . 3.980 3.652 3.590 3.739 . 0 0 "[ . 1 . 2]" 1
386 1 17 VAL QG 1 18 ASP QB . . 4.700 4.177 4.104 4.222 . 0 0 "[ . 1 . 2]" 1
387 1 17 VAL QG 1 20 MET H . . 4.960 4.328 4.232 4.409 . 0 0 "[ . 1 . 2]" 1
388 1 17 VAL QG 1 20 MET QG . . 4.290 3.782 3.627 3.937 . 0 0 "[ . 1 . 2]" 1
389 1 17 VAL QG 1 21 LYS H . . 5.400 4.482 4.351 4.586 . 0 0 "[ . 1 . 2]" 1
390 1 17 VAL QG 1 21 LYS HB2 . . 5.440 5.274 5.128 5.440 . 0 0 "[ . 1 . 2]" 1
391 1 17 VAL QG 1 21 LYS QE . . 3.410 2.826 2.304 3.268 . 0 0 "[ . 1 . 2]" 1
392 1 17 VAL QG 1 21 LYS QG . . 3.890 3.165 3.015 3.305 . 0 0 "[ . 1 . 2]" 1
393 1 17 VAL QG 1 31 ILE HB . . 4.420 4.168 4.116 4.223 . 0 0 "[ . 1 . 2]" 1
394 1 17 VAL QG 1 32 LYS HA . . 4.610 4.549 4.351 4.609 . 0 0 "[ . 1 . 2]" 1
395 1 17 VAL QG 1 34 PHE H . . 4.350 4.338 4.273 4.351 0.001 19 0 "[ . 1 . 2]" 1
396 1 17 VAL QG 1 34 PHE HA . . 4.960 4.429 4.297 4.540 . 0 0 "[ . 1 . 2]" 1
397 1 17 VAL QG 1 34 PHE HB2 . . 3.960 3.219 3.056 3.296 . 0 0 "[ . 1 . 2]" 1
398 1 17 VAL QG 1 34 PHE HB3 . . 4.000 2.678 2.451 2.806 . 0 0 "[ . 1 . 2]" 1
399 1 17 VAL QG 1 34 PHE QD . . 4.680 3.804 3.682 3.902 . 0 0 "[ . 1 . 2]" 1
400 1 17 VAL QG 1 35 GLU HA . . 3.570 2.326 2.034 2.514 . 0 0 "[ . 1 . 2]" 1
401 1 17 VAL QG 1 35 GLU HB2 . . 3.370 3.205 2.982 3.347 . 0 0 "[ . 1 . 2]" 1
402 1 17 VAL QG 1 35 GLU HG2 . . 3.390 1.908 1.769 2.035 . 0 0 "[ . 1 . 2]" 1
403 1 17 VAL QG 1 35 GLU HG3 . . 3.440 2.943 2.667 3.159 . 0 0 "[ . 1 . 2]" 1
404 1 17 VAL QG 1 36 ARG H . . 5.330 4.808 4.624 4.974 . 0 0 "[ . 1 . 2]" 1
405 1 17 VAL MG1 1 18 ASP H . . 4.000 3.657 3.554 3.748 . 0 0 "[ . 1 . 2]" 1
406 1 17 VAL MG1 1 34 PHE H . . 5.480 4.897 4.753 5.220 . 0 0 "[ . 1 . 2]" 1
407 1 17 VAL MG1 1 34 PHE HB2 . . 4.720 3.768 3.527 4.204 . 0 0 "[ . 1 . 2]" 1
408 1 17 VAL MG1 1 34 PHE HB3 . . 4.850 3.966 3.748 4.347 . 0 0 "[ . 1 . 2]" 1
409 1 17 VAL MG1 1 34 PHE QD . . 5.330 5.067 4.921 5.314 . 0 0 "[ . 1 . 2]" 1
410 1 17 VAL MG1 1 35 GLU H . . 4.400 3.874 3.566 4.221 . 0 0 "[ . 1 . 2]" 1
411 1 17 VAL MG1 1 35 GLU HA . . 4.850 3.634 3.275 3.921 . 0 0 "[ . 1 . 2]" 1
412 1 17 VAL MG1 1 35 GLU HB2 . . 4.030 3.490 3.193 3.679 . 0 0 "[ . 1 . 2]" 1
413 1 17 VAL MG1 1 35 GLU HG2 . . 4.020 2.157 1.916 2.455 . 0 0 "[ . 1 . 2]" 1
414 1 17 VAL MG1 1 35 GLU HG3 . . 3.930 3.090 2.741 3.375 . 0 0 "[ . 1 . 2]" 1
415 1 17 VAL MG2 1 18 ASP H . . 4.000 3.750 3.659 3.880 . 0 0 "[ . 1 . 2]" 1
416 1 17 VAL MG2 1 34 PHE H . . 5.480 4.857 4.658 4.945 . 0 0 "[ . 1 . 2]" 1
417 1 17 VAL MG2 1 34 PHE HB2 . . 4.720 3.516 3.332 3.707 . 0 0 "[ . 1 . 2]" 1
418 1 17 VAL MG2 1 34 PHE HB3 . . 4.850 2.726 2.485 2.876 . 0 0 "[ . 1 . 2]" 1
419 1 17 VAL MG2 1 34 PHE QD . . 5.330 3.932 3.802 4.053 . 0 0 "[ . 1 . 2]" 1
420 1 17 VAL MG2 1 35 GLU H . . 4.400 3.650 3.389 3.822 . 0 0 "[ . 1 . 2]" 1
421 1 17 VAL MG2 1 35 GLU HA . . 4.850 2.354 2.054 2.548 . 0 0 "[ . 1 . 2]" 1
422 1 17 VAL MG2 1 35 GLU HB2 . . 4.030 3.744 3.560 3.985 . 0 0 "[ . 1 . 2]" 1
423 1 17 VAL MG2 1 35 GLU HG2 . . 4.020 2.152 1.999 2.341 . 0 0 "[ . 1 . 2]" 1
424 1 17 VAL MG2 1 35 GLU HG3 . . 3.930 3.727 3.488 3.915 . 0 0 "[ . 1 . 2]" 1
425 1 18 ASP H 1 18 ASP HB2 . . 3.400 2.405 2.301 2.489 . 0 0 "[ . 1 . 2]" 1
426 1 18 ASP H 1 18 ASP QB . . 2.970 2.240 2.200 2.263 . 0 0 "[ . 1 . 2]" 1
427 1 18 ASP H 1 18 ASP HB3 . . 3.400 2.686 2.578 2.806 . 0 0 "[ . 1 . 2]" 1
428 1 18 ASP H 1 19 TRP H . . 3.340 2.545 2.469 2.651 . 0 0 "[ . 1 . 2]" 1
429 1 18 ASP HA 1 20 MET H . . 4.450 4.451 4.449 4.452 0.002 2 0 "[ . 1 . 2]" 1
430 1 18 ASP HA 1 21 LYS H . . 3.930 3.502 3.472 3.531 . 0 0 "[ . 1 . 2]" 1
431 1 18 ASP HA 1 21 LYS HB2 . . 3.990 3.149 3.057 3.258 . 0 0 "[ . 1 . 2]" 1
432 1 18 ASP HA 1 21 LYS QD . . 3.390 2.777 2.200 3.149 . 0 0 "[ . 1 . 2]" 1
433 1 18 ASP HA 1 21 LYS HE2 . . 4.850 4.594 3.808 4.848 . 0 0 "[ . 1 . 2]" 1
434 1 18 ASP HA 1 21 LYS QE . . 4.210 3.352 2.122 4.151 . 0 0 "[ . 1 . 2]" 1
435 1 18 ASP HA 1 21 LYS HE3 . . 4.850 3.481 2.133 4.659 . 0 0 "[ . 1 . 2]" 1
436 1 18 ASP HA 1 21 LYS QG . . 4.520 2.162 2.029 2.541 . 0 0 "[ . 1 . 2]" 1
437 1 18 ASP QB 1 19 TRP H . . 3.450 2.876 2.821 2.909 . 0 0 "[ . 1 . 2]" 1
438 1 18 ASP QB 1 21 LYS H . . 5.310 4.980 4.935 5.008 . 0 0 "[ . 1 . 2]" 1
439 1 18 ASP HB2 1 19 TRP H . . 4.010 3.937 3.830 4.010 . 0 0 "[ . 1 . 2]" 1
440 1 18 ASP HB3 1 19 TRP H . . 4.010 2.956 2.883 3.012 . 0 0 "[ . 1 . 2]" 1
441 1 19 TRP H 1 19 TRP HB2 . . 3.180 2.685 2.653 2.705 . 0 0 "[ . 1 . 2]" 1
442 1 19 TRP H 1 19 TRP HB3 . . 3.010 2.406 2.390 2.439 . 0 0 "[ . 1 . 2]" 1
443 1 19 TRP H 1 20 MET H . . 3.240 2.605 2.590 2.627 . 0 0 "[ . 1 . 2]" 1
444 1 19 TRP H 1 20 MET HA . . 5.300 5.221 5.207 5.240 . 0 0 "[ . 1 . 2]" 1
445 1 19 TRP H 1 20 MET HB2 . . 5.500 4.869 4.826 4.966 . 0 0 "[ . 1 . 2]" 1
446 1 19 TRP H 1 20 MET QG . . 5.340 4.021 3.810 4.124 . 0 0 "[ . 1 . 2]" 1
447 1 19 TRP HA 1 19 TRP HD1 . . 3.670 2.709 2.634 2.757 . 0 0 "[ . 1 . 2]" 1
448 1 19 TRP HA 1 20 MET HA . . 5.000 4.793 4.784 4.803 . 0 0 "[ . 1 . 2]" 1
449 1 19 TRP HA 1 21 LYS H . . 4.300 3.882 3.867 3.898 . 0 0 "[ . 1 . 2]" 1
450 1 19 TRP HB2 1 19 TRP HD1 . . 3.800 2.918 2.893 2.955 . 0 0 "[ . 1 . 2]" 1
451 1 19 TRP HB2 1 19 TRP HE3 . . 4.160 3.871 3.832 3.896 . 0 0 "[ . 1 . 2]" 1
452 1 19 TRP HB2 1 20 MET H . . 4.320 3.925 3.904 3.941 . 0 0 "[ . 1 . 2]" 1
453 1 19 TRP HB2 1 73 LEU MD1 . . 5.500 4.086 3.733 4.692 . 0 0 "[ . 1 . 2]" 1
454 1 19 TRP HB2 1 73 LEU MD2 . . 5.500 4.798 4.351 5.239 . 0 0 "[ . 1 . 2]" 1
455 1 19 TRP HB3 1 19 TRP HE3 . . 3.730 2.404 2.399 2.407 . 0 0 "[ . 1 . 2]" 1
456 1 19 TRP HB3 1 20 MET H . . 3.440 2.586 2.574 2.605 . 0 0 "[ . 1 . 2]" 1
457 1 19 TRP HB3 1 20 MET HA . . 5.190 4.354 4.307 4.372 . 0 0 "[ . 1 . 2]" 1
458 1 19 TRP HB3 1 44 LEU QD . . 4.810 4.039 3.780 4.229 . 0 0 "[ . 1 . 2]" 1
459 1 19 TRP HD1 1 73 LEU MD1 . . 4.880 3.880 3.457 4.219 . 0 0 "[ . 1 . 2]" 1
460 1 19 TRP HD1 1 73 LEU QD . . 4.030 3.516 3.040 3.812 . 0 0 "[ . 1 . 2]" 1
461 1 19 TRP HD1 1 73 LEU MD2 . . 4.880 4.102 3.118 4.677 . 0 0 "[ . 1 . 2]" 1
462 1 19 TRP HE1 1 23 LEU MD1 . . 5.410 3.996 3.890 4.109 . 0 0 "[ . 1 . 2]" 1
463 1 19 TRP HE1 1 69 ALA MB . . 4.420 3.683 3.526 3.813 . 0 0 "[ . 1 . 2]" 1
464 1 19 TRP HE1 1 73 LEU QD . . 3.260 3.095 2.282 3.264 0.004 6 0 "[ . 1 . 2]" 1
465 1 19 TRP HE1 1 73 LEU HG . . 4.850 3.477 3.198 4.662 . 0 0 "[ . 1 . 2]" 1
466 1 19 TRP HE3 1 20 MET H . . 3.740 3.498 3.413 3.643 . 0 0 "[ . 1 . 2]" 1
467 1 19 TRP HE3 1 20 MET HA . . 4.450 4.017 3.915 4.157 . 0 0 "[ . 1 . 2]" 1
468 1 19 TRP HE3 1 20 MET ME . . 5.500 4.891 4.753 4.970 . 0 0 "[ . 1 . 2]" 1
469 1 19 TRP HE3 1 20 MET HG2 . . 4.120 2.593 2.396 3.034 . 0 0 "[ . 1 . 2]" 1
470 1 19 TRP HE3 1 20 MET QG . . 3.540 2.517 2.375 2.814 . 0 0 "[ . 1 . 2]" 1
471 1 19 TRP HE3 1 20 MET HG3 . . 4.120 3.772 3.326 4.024 . 0 0 "[ . 1 . 2]" 1
472 1 19 TRP HE3 1 23 LEU MD1 . . 5.000 3.055 2.969 3.160 . 0 0 "[ . 1 . 2]" 1
473 1 19 TRP HE3 1 44 LEU MD1 . . 5.000 3.255 2.954 3.680 . 0 0 "[ . 1 . 2]" 1
474 1 19 TRP HE3 1 44 LEU QD . . 4.210 2.826 2.586 3.032 . 0 0 "[ . 1 . 2]" 1
475 1 19 TRP HE3 1 44 LEU MD2 . . 5.000 3.204 2.641 3.872 . 0 0 "[ . 1 . 2]" 1
476 1 19 TRP HH2 1 23 LEU MD1 . . 4.210 2.955 2.780 3.140 . 0 0 "[ . 1 . 2]" 1
477 1 19 TRP HH2 1 23 LEU MD2 . . 5.000 4.037 3.866 4.169 . 0 0 "[ . 1 . 2]" 1
478 1 19 TRP HH2 1 44 LEU MD1 . . 4.530 3.676 3.347 4.088 . 0 0 "[ . 1 . 2]" 1
479 1 19 TRP HH2 1 44 LEU QD . . 3.750 3.428 3.230 3.699 . 0 0 "[ . 1 . 2]" 1
480 1 19 TRP HH2 1 44 LEU MD2 . . 4.530 4.122 3.960 4.265 . 0 0 "[ . 1 . 2]" 1
481 1 19 TRP HH2 1 66 ILE HA . . 4.850 3.595 3.417 3.924 . 0 0 "[ . 1 . 2]" 1
482 1 19 TRP HH2 1 66 ILE HB . . 5.500 4.965 4.806 5.239 . 0 0 "[ . 1 . 2]" 1
483 1 19 TRP HH2 1 66 ILE MG . . 3.730 2.307 1.998 2.816 . 0 0 "[ . 1 . 2]" 1
484 1 19 TRP HH2 1 69 ALA MB . . 3.650 2.381 2.059 2.646 . 0 0 "[ . 1 . 2]" 1
485 1 19 TRP HH2 1 70 VAL H . . 4.670 3.116 2.735 3.465 . 0 0 "[ . 1 . 2]" 1
486 1 19 TRP HH2 1 70 VAL HA . . 4.380 3.530 3.172 3.806 . 0 0 "[ . 1 . 2]" 1
487 1 19 TRP HH2 1 70 VAL MG1 . . 4.850 4.384 4.248 4.486 . 0 0 "[ . 1 . 2]" 1
488 1 19 TRP HH2 1 70 VAL QG . . 3.340 1.952 1.877 2.029 . 0 0 "[ . 1 . 2]" 1
489 1 19 TRP HH2 1 70 VAL MG2 . . 4.850 1.955 1.879 2.032 . 0 0 "[ . 1 . 2]" 1
490 1 19 TRP HH2 1 73 LEU QD . . 4.420 3.854 3.509 4.144 . 0 0 "[ . 1 . 2]" 1
491 1 19 TRP HZ2 1 23 LEU MD1 . . 4.210 3.117 2.918 3.293 . 0 0 "[ . 1 . 2]" 1
492 1 19 TRP HZ2 1 23 LEU MD2 . . 3.930 2.811 2.621 3.008 . 0 0 "[ . 1 . 2]" 1
493 1 19 TRP HZ2 1 44 LEU QD . . 5.440 4.536 4.352 4.823 . 0 0 "[ . 1 . 2]" 1
494 1 19 TRP HZ2 1 66 ILE MG . . 5.020 4.343 4.086 4.744 . 0 0 "[ . 1 . 2]" 1
495 1 19 TRP HZ2 1 69 ALA H . . 5.500 4.586 4.458 4.710 . 0 0 "[ . 1 . 2]" 1
496 1 19 TRP HZ2 1 69 ALA HA . . 5.000 3.924 3.750 4.112 . 0 0 "[ . 1 . 2]" 1
497 1 19 TRP HZ2 1 69 ALA MB . . 3.110 1.942 1.900 1.971 . 0 0 "[ . 1 . 2]" 1
498 1 19 TRP HZ2 1 70 VAL H . . 4.850 3.679 3.395 3.956 . 0 0 "[ . 1 . 2]" 1
499 1 19 TRP HZ2 1 70 VAL HA . . 4.160 3.325 3.130 3.574 . 0 0 "[ . 1 . 2]" 1
500 1 19 TRP HZ2 1 70 VAL QG . . 3.980 3.344 3.093 3.607 . 0 0 "[ . 1 . 2]" 1
501 1 19 TRP HZ2 1 72 LEU H . . 5.500 5.382 5.137 5.500 0.000 2 0 "[ . 1 . 2]" 1
502 1 19 TRP HZ2 1 73 LEU H . . 5.310 4.973 4.673 5.196 . 0 0 "[ . 1 . 2]" 1
503 1 19 TRP HZ2 1 73 LEU HB2 . . 4.850 4.802 4.513 4.855 0.005 15 0 "[ . 1 . 2]" 1
504 1 19 TRP HZ2 1 73 LEU QD . . 3.600 3.180 2.705 3.379 . 0 0 "[ . 1 . 2]" 1
505 1 19 TRP HZ2 1 73 LEU HG . . 4.790 4.010 3.516 4.789 . 0 0 "[ . 1 . 2]" 1
506 1 19 TRP HZ3 1 20 MET HA . . 5.190 5.001 4.863 5.190 0.000 6 0 "[ . 1 . 2]" 1
507 1 19 TRP HZ3 1 20 MET ME . . 4.790 4.725 4.463 4.791 0.001 4 0 "[ . 1 . 2]" 1
508 1 19 TRP HZ3 1 20 MET HG2 . . 5.000 3.867 3.782 3.958 . 0 0 "[ . 1 . 2]" 1
509 1 19 TRP HZ3 1 20 MET QG . . 4.280 3.743 3.675 3.815 . 0 0 "[ . 1 . 2]" 1
510 1 19 TRP HZ3 1 20 MET HG3 . . 5.000 4.999 4.992 5.002 0.002 15 0 "[ . 1 . 2]" 1
511 1 19 TRP HZ3 1 23 LEU MD1 . . 4.850 3.036 2.944 3.172 . 0 0 "[ . 1 . 2]" 1
512 1 19 TRP HZ3 1 44 LEU MD1 . . 4.160 2.254 1.979 2.571 . 0 0 "[ . 1 . 2]" 1
513 1 19 TRP HZ3 1 44 LEU QD . . 3.450 2.205 1.959 2.499 . 0 0 "[ . 1 . 2]" 1
514 1 19 TRP HZ3 1 44 LEU MD2 . . 4.160 3.210 2.623 3.693 . 0 0 "[ . 1 . 2]" 1
515 1 19 TRP HZ3 1 66 ILE MG . . 4.620 2.394 2.300 2.622 . 0 0 "[ . 1 . 2]" 1
516 1 19 TRP HZ3 1 69 ALA MB . . 5.000 4.407 4.047 4.671 . 0 0 "[ . 1 . 2]" 1
517 1 19 TRP HZ3 1 70 VAL QG . . 4.290 2.999 2.645 3.173 . 0 0 "[ . 1 . 2]" 1
518 1 20 MET H 1 20 MET HB2 . . 3.310 2.596 2.559 2.687 . 0 0 "[ . 1 . 2]" 1
519 1 20 MET H 1 20 MET HB3 . . 3.670 3.588 3.580 3.591 . 0 0 "[ . 1 . 2]" 1
520 1 20 MET H 1 20 MET ME . . 5.000 4.643 4.553 4.737 . 0 0 "[ . 1 . 2]" 1
521 1 20 MET H 1 20 MET HG2 . . 3.410 2.381 2.066 3.016 . 0 0 "[ . 1 . 2]" 1
522 1 20 MET H 1 20 MET HG3 . . 3.410 2.785 1.949 3.235 . 0 0 "[ . 1 . 2]" 1
523 1 20 MET H 1 21 LYS H . . 3.200 2.626 2.611 2.645 . 0 0 "[ . 1 . 2]" 1
524 1 20 MET H 1 22 GLY H . . 4.970 4.186 4.169 4.199 . 0 0 "[ . 1 . 2]" 1
525 1 20 MET H 1 23 LEU MD1 . . 4.920 3.899 3.795 3.988 . 0 0 "[ . 1 . 2]" 1
526 1 20 MET H 1 23 LEU HG . . 4.730 4.239 4.218 4.259 . 0 0 "[ . 1 . 2]" 1
527 1 20 MET H 1 31 ILE MD . . 4.700 4.528 4.465 4.614 . 0 0 "[ . 1 . 2]" 1
528 1 20 MET H 1 31 ILE MG . . 5.310 4.761 4.719 4.801 . 0 0 "[ . 1 . 2]" 1
529 1 20 MET HA 1 20 MET ME . . 4.220 3.839 3.596 3.983 . 0 0 "[ . 1 . 2]" 1
530 1 20 MET HA 1 20 MET QG . . 3.560 2.627 2.502 2.739 . 0 0 "[ . 1 . 2]" 1
531 1 20 MET HA 1 22 GLY H . . 4.190 3.489 3.483 3.497 . 0 0 "[ . 1 . 2]" 1
532 1 20 MET HA 1 23 LEU H . . 3.860 3.615 3.574 3.695 . 0 0 "[ . 1 . 2]" 1
533 1 20 MET HA 1 23 LEU HA . . 5.500 5.086 5.066 5.120 . 0 0 "[ . 1 . 2]" 1
534 1 20 MET HA 1 23 LEU HB2 . . 4.320 2.997 2.956 3.046 . 0 0 "[ . 1 . 2]" 1
535 1 20 MET HA 1 23 LEU HB3 . . 4.910 4.195 4.167 4.228 . 0 0 "[ . 1 . 2]" 1
536 1 20 MET HA 1 23 LEU MD1 . . 3.210 2.058 1.956 2.137 . 0 0 "[ . 1 . 2]" 1
537 1 20 MET HA 1 23 LEU MD2 . . 4.120 3.620 3.608 3.631 . 0 0 "[ . 1 . 2]" 1
538 1 20 MET HA 1 23 LEU HG . . 3.040 1.999 1.998 1.999 . 0 0 "[ . 1 . 2]" 1
539 1 20 MET HA 1 31 ILE MD . . 4.620 4.258 4.204 4.299 . 0 0 "[ . 1 . 2]" 1
540 1 20 MET HA 1 31 ILE HG12 . . 5.270 4.547 4.510 4.572 . 0 0 "[ . 1 . 2]" 1
541 1 20 MET HB2 1 20 MET ME . . 3.580 3.095 2.930 3.329 . 0 0 "[ . 1 . 2]" 1
542 1 20 MET HB2 1 21 LYS H . . 3.750 3.030 3.020 3.041 . 0 0 "[ . 1 . 2]" 1
543 1 20 MET HB2 1 21 LYS HA . . 4.850 4.254 4.176 4.286 . 0 0 "[ . 1 . 2]" 1
544 1 20 MET HB2 1 23 LEU H . . 5.500 5.501 5.500 5.502 0.002 16 0 "[ . 1 . 2]" 1
545 1 20 MET HB2 1 23 LEU HG . . 5.000 4.915 4.892 4.925 . 0 0 "[ . 1 . 2]" 1
546 1 20 MET HB2 1 31 ILE MD . . 3.770 2.661 2.559 2.794 . 0 0 "[ . 1 . 2]" 1
547 1 20 MET HB2 1 31 ILE HG12 . . 3.910 2.076 1.999 2.168 . 0 0 "[ . 1 . 2]" 1
548 1 20 MET HB2 1 31 ILE MG . . 4.450 3.060 2.938 3.150 . 0 0 "[ . 1 . 2]" 1
549 1 20 MET HB3 1 20 MET ME . . 3.190 2.162 1.977 2.371 . 0 0 "[ . 1 . 2]" 1
550 1 20 MET HB3 1 21 LYS H . . 4.530 4.047 4.022 4.110 . 0 0 "[ . 1 . 2]" 1
551 1 20 MET HB3 1 23 LEU MD1 . . 4.380 3.387 3.231 3.517 . 0 0 "[ . 1 . 2]" 1
552 1 20 MET HB3 1 23 LEU HG . . 5.000 4.254 4.209 4.272 . 0 0 "[ . 1 . 2]" 1
553 1 20 MET HB3 1 31 ILE MD . . 3.150 2.917 2.848 3.033 . 0 0 "[ . 1 . 2]" 1
554 1 20 MET HB3 1 31 ILE HG12 . . 4.080 2.299 2.198 2.390 . 0 0 "[ . 1 . 2]" 1
555 1 20 MET HB3 1 31 ILE MG . . 4.620 4.098 3.961 4.214 . 0 0 "[ . 1 . 2]" 1
556 1 20 MET ME 1 20 MET HG2 . . 3.640 3.083 2.361 3.391 . 0 0 "[ . 1 . 2]" 1
557 1 20 MET ME 1 20 MET QG . . 3.110 2.339 2.228 2.444 . 0 0 "[ . 1 . 2]" 1
558 1 20 MET ME 1 20 MET HG3 . . 3.640 2.680 2.261 3.396 . 0 0 "[ . 1 . 2]" 1
559 1 20 MET ME 1 23 LEU MD1 . . 3.670 3.518 3.230 3.671 0.001 20 0 "[ . 1 . 2]" 1
560 1 20 MET ME 1 27 LEU QD . . 4.180 3.427 3.175 3.667 . 0 0 "[ . 1 . 2]" 1
561 1 20 MET ME 1 28 GLN HA . . 4.860 3.912 3.758 4.162 . 0 0 "[ . 1 . 2]" 1
562 1 20 MET ME 1 28 GLN HE22 . . 5.500 5.495 5.432 5.502 0.002 20 0 "[ . 1 . 2]" 1
563 1 20 MET ME 1 30 TYR H . . 4.870 3.952 3.760 4.151 . 0 0 "[ . 1 . 2]" 1
564 1 20 MET ME 1 30 TYR HB2 . . 3.900 2.366 2.193 2.553 . 0 0 "[ . 1 . 2]" 1
565 1 20 MET ME 1 30 TYR HB3 . . 3.870 3.061 2.872 3.226 . 0 0 "[ . 1 . 2]" 1
566 1 20 MET ME 1 30 TYR QD . . 4.260 3.187 2.742 3.489 . 0 0 "[ . 1 . 2]" 1
567 1 20 MET ME 1 31 ILE H . . 3.760 3.183 2.913 3.480 . 0 0 "[ . 1 . 2]" 1
568 1 20 MET ME 1 31 ILE HA . . 3.410 2.842 2.582 3.026 . 0 0 "[ . 1 . 2]" 1
569 1 20 MET ME 1 31 ILE MD . . 4.390 3.613 3.518 3.839 . 0 0 "[ . 1 . 2]" 1
570 1 20 MET ME 1 31 ILE HG13 . . 3.550 2.822 2.616 3.170 . 0 0 "[ . 1 . 2]" 1
571 1 20 MET ME 1 32 LYS H . . 5.500 5.247 5.107 5.501 0.001 12 0 "[ . 1 . 2]" 1
572 1 20 MET ME 1 34 PHE H . . 5.500 4.603 4.344 4.806 . 0 0 "[ . 1 . 2]" 1
573 1 20 MET ME 1 34 PHE HB2 . . 4.320 3.622 3.240 3.851 . 0 0 "[ . 1 . 2]" 1
574 1 20 MET ME 1 34 PHE HB3 . . 4.700 4.475 4.126 4.700 . 0 0 "[ . 1 . 2]" 1
575 1 20 MET ME 1 34 PHE QD . . 3.800 3.325 3.052 3.528 . 0 0 "[ . 1 . 2]" 1
576 1 20 MET ME 1 34 PHE QE . . 3.760 3.249 3.031 3.494 . 0 0 "[ . 1 . 2]" 1
577 1 20 MET ME 1 34 PHE HZ . . 4.270 3.732 3.431 4.010 . 0 0 "[ . 1 . 2]" 1
578 1 20 MET ME 1 55 LEU QD . . 5.440 4.333 4.044 4.836 . 0 0 "[ . 1 . 2]" 1
579 1 20 MET ME 1 57 VAL QG . . 4.870 4.096 3.944 4.297 . 0 0 "[ . 1 . 2]" 1
580 1 20 MET ME 1 66 ILE MD . . 3.680 2.617 2.268 3.522 . 0 0 "[ . 1 . 2]" 1
581 1 20 MET ME 1 66 ILE QG . . 4.880 3.401 3.010 3.629 . 0 0 "[ . 1 . 2]" 1
582 1 20 MET QG 1 23 LEU MD1 . . 3.880 2.988 2.641 3.167 . 0 0 "[ . 1 . 2]" 1
583 1 20 MET QG 1 31 ILE MD . . 5.020 4.125 4.040 4.281 . 0 0 "[ . 1 . 2]" 1
584 1 20 MET QG 1 31 ILE HG12 . . 3.970 3.238 3.031 3.635 . 0 0 "[ . 1 . 2]" 1
585 1 20 MET HG2 1 21 LYS H . . 5.200 4.541 4.343 4.950 . 0 0 "[ . 1 . 2]" 1
586 1 20 MET HG2 1 23 LEU MD1 . . 4.530 3.058 2.684 3.259 . 0 0 "[ . 1 . 2]" 1
587 1 20 MET HG3 1 21 LYS H . . 5.200 4.682 4.135 4.965 . 0 0 "[ . 1 . 2]" 1
588 1 20 MET HG3 1 23 LEU MD1 . . 4.530 4.207 3.928 4.325 . 0 0 "[ . 1 . 2]" 1
589 1 21 LYS H 1 21 LYS HB2 . . 2.930 2.459 2.442 2.499 . 0 0 "[ . 1 . 2]" 1
590 1 21 LYS H 1 21 LYS QD . . 5.120 4.132 3.878 4.249 . 0 0 "[ . 1 . 2]" 1
591 1 21 LYS H 1 21 LYS HG2 . . 3.740 3.125 2.922 3.460 . 0 0 "[ . 1 . 2]" 1
592 1 21 LYS H 1 21 LYS QG . . 2.930 2.364 2.252 2.460 . 0 0 "[ . 1 . 2]" 1
593 1 21 LYS H 1 21 LYS HG3 . . 3.740 2.458 2.294 2.645 . 0 0 "[ . 1 . 2]" 1
594 1 21 LYS H 1 22 GLY H . . 3.350 2.597 2.584 2.609 . 0 0 "[ . 1 . 2]" 1
595 1 21 LYS H 1 22 GLY QA . . 5.000 4.491 4.471 4.510 . 0 0 "[ . 1 . 2]" 1
596 1 21 LYS H 1 23 LEU H . . 4.620 4.360 4.310 4.436 . 0 0 "[ . 1 . 2]" 1
597 1 21 LYS H 1 31 ILE MD . . 3.950 3.456 3.398 3.540 . 0 0 "[ . 1 . 2]" 1
598 1 21 LYS H 1 31 ILE MG . . 5.460 4.505 4.389 4.540 . 0 0 "[ . 1 . 2]" 1
599 1 21 LYS HA 1 21 LYS QD . . 4.330 3.746 3.584 3.981 . 0 0 "[ . 1 . 2]" 1
600 1 21 LYS HA 1 21 LYS HG2 . . 3.730 2.394 2.352 2.522 . 0 0 "[ . 1 . 2]" 1
601 1 21 LYS HA 1 21 LYS QG . . 3.260 2.343 2.313 2.415 . 0 0 "[ . 1 . 2]" 1
602 1 21 LYS HA 1 21 LYS HG3 . . 3.730 3.354 3.086 3.508 . 0 0 "[ . 1 . 2]" 1
603 1 21 LYS HA 1 23 LEU H . . 4.360 3.835 3.816 3.865 . 0 0 "[ . 1 . 2]" 1
604 1 21 LYS HA 1 28 GLN HE21 . . 4.270 4.233 4.181 4.273 0.003 3 0 "[ . 1 . 2]" 1
605 1 21 LYS HA 1 28 GLN HE22 . . 3.740 2.528 2.476 2.565 . 0 0 "[ . 1 . 2]" 1
606 1 21 LYS HA 1 31 ILE MD . . 3.520 2.607 2.570 2.632 . 0 0 "[ . 1 . 2]" 1
607 1 21 LYS HB2 1 21 LYS HE2 . . 5.150 4.737 4.534 5.001 . 0 0 "[ . 1 . 2]" 1
608 1 21 LYS HB2 1 21 LYS HE3 . . 5.150 4.552 3.947 5.075 . 0 0 "[ . 1 . 2]" 1
609 1 21 LYS HB2 1 22 GLY H . . 3.780 3.265 3.236 3.293 . 0 0 "[ . 1 . 2]" 1
610 1 21 LYS HB2 1 31 ILE MD . . 4.960 4.477 4.428 4.537 . 0 0 "[ . 1 . 2]" 1
611 1 21 LYS HB2 1 31 ILE MG . . 5.500 5.501 5.497 5.504 0.004 16 0 "[ . 1 . 2]" 1
612 1 21 LYS HB3 1 21 LYS QD . . 3.330 2.158 1.980 2.406 . 0 0 "[ . 1 . 2]" 1
613 1 21 LYS HB3 1 21 LYS HE2 . . 5.500 4.157 3.790 4.605 . 0 0 "[ . 1 . 2]" 1
614 1 21 LYS HB3 1 21 LYS QE . . 4.840 3.823 3.620 4.006 . 0 0 "[ . 1 . 2]" 1
615 1 21 LYS HB3 1 21 LYS HE3 . . 5.500 4.507 4.317 4.605 . 0 0 "[ . 1 . 2]" 1
616 1 21 LYS HB3 1 31 ILE MD . . 5.240 4.229 4.137 4.287 . 0 0 "[ . 1 . 2]" 1
617 1 21 LYS HB3 1 31 ILE MG . . 5.500 5.498 5.475 5.503 0.003 16 0 "[ . 1 . 2]" 1
618 1 21 LYS HD2 1 31 ILE MD . . 5.500 4.918 4.755 5.091 . 0 0 "[ . 1 . 2]" 1
619 1 21 LYS HD3 1 31 ILE MD . . 5.500 4.444 4.144 4.728 . 0 0 "[ . 1 . 2]" 1
620 1 21 LYS QE 1 21 LYS QG . . 3.160 2.071 1.960 2.139 . 0 0 "[ . 1 . 2]" 1
621 1 21 LYS QE 1 31 ILE MD . . 3.960 3.359 2.837 3.827 . 0 0 "[ . 1 . 2]" 1
622 1 21 LYS QE 1 31 ILE MG . . 3.920 3.014 2.628 3.308 . 0 0 "[ . 1 . 2]" 1
623 1 21 LYS HE2 1 31 ILE MD . . 4.530 3.664 2.873 4.423 . 0 0 "[ . 1 . 2]" 1
624 1 21 LYS HE2 1 31 ILE MG . . 4.530 3.390 2.671 4.125 . 0 0 "[ . 1 . 2]" 1
625 1 21 LYS HE3 1 31 ILE MD . . 4.530 4.172 3.505 4.452 . 0 0 "[ . 1 . 2]" 1
626 1 21 LYS HE3 1 31 ILE MG . . 4.530 3.560 2.977 3.909 . 0 0 "[ . 1 . 2]" 1
627 1 21 LYS QG 1 31 ILE MD . . 3.560 2.316 2.234 2.484 . 0 0 "[ . 1 . 2]" 1
628 1 21 LYS QG 1 31 ILE MG . . 5.000 3.041 3.011 3.077 . 0 0 "[ . 1 . 2]" 1
629 1 22 GLY H 1 23 LEU H . . 3.060 2.497 2.437 2.579 . 0 0 "[ . 1 . 2]" 1
630 1 22 GLY H 1 23 LEU HB2 . . 4.990 4.462 4.456 4.472 . 0 0 "[ . 1 . 2]" 1
631 1 22 GLY H 1 23 LEU HB3 . . 5.500 5.523 5.520 5.526 0.026 3 0 "[ . 1 . 2]" 1
632 1 22 GLY H 1 23 LEU MD1 . . 5.140 4.449 4.431 4.469 . 0 0 "[ . 1 . 2]" 1
633 1 22 GLY H 1 23 LEU MD2 . . 4.850 3.724 3.656 3.815 . 0 0 "[ . 1 . 2]" 1
634 1 22 GLY H 1 23 LEU HG . . 4.130 3.016 2.994 3.033 . 0 0 "[ . 1 . 2]" 1
635 1 22 GLY H 1 28 GLN HE22 . . 5.080 4.051 4.003 4.153 . 0 0 "[ . 1 . 2]" 1
636 1 22 GLY QA 1 23 LEU MD2 . . 4.880 3.542 3.469 3.639 . 0 0 "[ . 1 . 2]" 1
637 1 23 LEU H 1 23 LEU HB2 . . 3.190 2.662 2.640 2.687 . 0 0 "[ . 1 . 2]" 1
638 1 23 LEU H 1 23 LEU HB3 . . 3.860 3.752 3.734 3.774 . 0 0 "[ . 1 . 2]" 1
639 1 23 LEU H 1 23 LEU MD1 . . 4.130 4.023 3.983 4.078 . 0 0 "[ . 1 . 2]" 1
640 1 23 LEU H 1 23 LEU MD2 . . 3.780 3.415 3.367 3.463 . 0 0 "[ . 1 . 2]" 1
641 1 23 LEU H 1 23 LEU HG . . 3.050 2.707 2.653 2.775 . 0 0 "[ . 1 . 2]" 1
642 1 23 LEU H 1 24 ASP H . . 4.410 4.368 4.360 4.375 . 0 0 "[ . 1 . 2]" 1
643 1 23 LEU H 1 27 LEU HB2 . . 5.450 5.030 4.852 5.141 . 0 0 "[ . 1 . 2]" 1
644 1 23 LEU H 1 27 LEU QD . . 5.220 4.947 4.783 5.136 . 0 0 "[ . 1 . 2]" 1
645 1 23 LEU H 1 28 GLN HE21 . . 4.350 3.419 3.315 3.610 . 0 0 "[ . 1 . 2]" 1
646 1 23 LEU H 1 28 GLN HE22 . . 3.810 2.744 2.665 2.870 . 0 0 "[ . 1 . 2]" 1
647 1 23 LEU H 1 31 ILE MD . . 4.650 4.633 4.587 4.653 0.003 16 0 "[ . 1 . 2]" 1
648 1 23 LEU HA 1 23 LEU MD1 . . 4.260 3.858 3.847 3.866 . 0 0 "[ . 1 . 2]" 1
649 1 23 LEU HA 1 23 LEU MD2 . . 2.970 2.128 1.989 2.219 . 0 0 "[ . 1 . 2]" 1
650 1 23 LEU HA 1 23 LEU HG . . 4.040 3.328 3.319 3.339 . 0 0 "[ . 1 . 2]" 1
651 1 23 LEU HA 1 24 ASP H . . 3.300 2.715 2.712 2.716 . 0 0 "[ . 1 . 2]" 1
652 1 23 LEU HA 1 24 ASP HB2 . . 4.850 4.726 4.722 4.735 . 0 0 "[ . 1 . 2]" 1
653 1 23 LEU HA 1 27 LEU QD . . 4.590 4.229 4.056 4.374 . 0 0 "[ . 1 . 2]" 1
654 1 23 LEU HB2 1 23 LEU MD1 . . 3.450 2.330 2.280 2.413 . 0 0 "[ . 1 . 2]" 1
655 1 23 LEU HB2 1 24 ASP H . . 3.700 2.862 2.856 2.870 . 0 0 "[ . 1 . 2]" 1
656 1 23 LEU HB2 1 24 ASP HB2 . . 5.190 4.601 4.504 4.720 . 0 0 "[ . 1 . 2]" 1
657 1 23 LEU HB2 1 24 ASP HB3 . . 5.190 4.978 4.846 5.111 . 0 0 "[ . 1 . 2]" 1
658 1 23 LEU HB2 1 27 LEU QD . . 3.800 2.790 2.511 3.001 . 0 0 "[ . 1 . 2]" 1
659 1 23 LEU HB2 1 28 GLN HE21 . . 4.600 3.658 3.574 3.714 . 0 0 "[ . 1 . 2]" 1
660 1 23 LEU HB2 1 28 GLN HE22 . . 4.520 3.925 3.898 3.942 . 0 0 "[ . 1 . 2]" 1
661 1 23 LEU HB2 1 66 ILE HA . . 5.500 5.499 5.489 5.506 0.006 9 0 "[ . 1 . 2]" 1
662 1 23 LEU HB3 1 23 LEU MD1 . . 3.480 2.350 2.287 2.387 . 0 0 "[ . 1 . 2]" 1
663 1 23 LEU HB3 1 23 LEU MD2 . . 3.430 2.362 2.333 2.432 . 0 0 "[ . 1 . 2]" 1
664 1 23 LEU HB3 1 24 ASP H . . 3.210 1.947 1.947 1.949 . 0 0 "[ . 1 . 2]" 1
665 1 23 LEU HB3 1 24 ASP HA . . 5.000 4.615 4.614 4.617 . 0 0 "[ . 1 . 2]" 1
666 1 23 LEU HB3 1 24 ASP HB2 . . 4.530 3.713 3.652 3.800 . 0 0 "[ . 1 . 2]" 1
667 1 23 LEU HB3 1 24 ASP HB3 . . 4.910 4.676 4.522 4.818 . 0 0 "[ . 1 . 2]" 1
668 1 23 LEU HB3 1 27 LEU QD . . 3.350 2.369 2.210 2.563 . 0 0 "[ . 1 . 2]" 1
669 1 23 LEU HB3 1 28 GLN HE21 . . 5.130 5.033 4.985 5.069 . 0 0 "[ . 1 . 2]" 1
670 1 23 LEU HB3 1 28 GLN HE22 . . 5.500 5.501 5.499 5.502 0.002 3 0 "[ . 1 . 2]" 1
671 1 23 LEU MD1 1 24 ASP H . . 4.450 3.915 3.887 3.933 . 0 0 "[ . 1 . 2]" 1
672 1 23 LEU MD1 1 24 ASP HB2 . . 5.500 5.094 5.001 5.218 . 0 0 "[ . 1 . 2]" 1
673 1 23 LEU MD1 1 27 LEU HB2 . . 3.930 3.439 3.345 3.600 . 0 0 "[ . 1 . 2]" 1
674 1 23 LEU MD1 1 27 LEU QD . . 3.350 2.350 2.151 2.611 . 0 0 "[ . 1 . 2]" 1
675 1 23 LEU MD1 1 66 ILE HA . . 4.450 3.136 3.018 3.240 . 0 0 "[ . 1 . 2]" 1
676 1 23 LEU MD1 1 66 ILE MD . . 4.720 4.193 4.020 4.696 . 0 0 "[ . 1 . 2]" 1
677 1 23 LEU MD1 1 66 ILE QG . . 4.000 3.263 3.107 3.437 . 0 0 "[ . 1 . 2]" 1
678 1 23 LEU MD1 1 66 ILE MG . . 4.620 2.882 2.667 3.078 . 0 0 "[ . 1 . 2]" 1
679 1 23 LEU MD1 1 69 ALA MB . . 3.390 2.723 2.568 2.954 . 0 0 "[ . 1 . 2]" 1
680 1 23 LEU MD2 1 24 ASP H . . 4.120 3.610 3.570 3.702 . 0 0 "[ . 1 . 2]" 1
681 1 23 LEU MD2 1 27 LEU QD . . 4.050 3.754 3.669 3.916 . 0 0 "[ . 1 . 2]" 1
682 1 23 LEU MD2 1 66 ILE MG . . 5.230 4.616 4.441 4.841 . 0 0 "[ . 1 . 2]" 1
683 1 23 LEU MD2 1 69 ALA HA . . 5.450 4.663 4.450 4.973 . 0 0 "[ . 1 . 2]" 1
684 1 23 LEU MD2 1 69 ALA MB . . 3.120 2.509 2.337 2.711 . 0 0 "[ . 1 . 2]" 1
685 1 23 LEU HG 1 24 ASP H . . 4.870 4.681 4.679 4.684 . 0 0 "[ . 1 . 2]" 1
686 1 23 LEU HG 1 28 GLN HE22 . . 4.920 4.811 4.769 4.841 . 0 0 "[ . 1 . 2]" 1
687 1 24 ASP H 1 24 ASP HB2 . . 3.250 2.094 2.070 2.142 . 0 0 "[ . 1 . 2]" 1
688 1 24 ASP H 1 24 ASP HB3 . . 3.390 3.149 3.031 3.255 . 0 0 "[ . 1 . 2]" 1
689 1 24 ASP H 1 25 ASP H . . 4.970 4.636 4.619 4.644 . 0 0 "[ . 1 . 2]" 1
690 1 24 ASP H 1 27 LEU QD . . 3.810 2.383 2.138 2.563 . 0 0 "[ . 1 . 2]" 1
691 1 24 ASP H 1 65 LEU MD1 . . 5.340 4.926 4.476 5.338 . 0 0 "[ . 1 . 2]" 1
692 1 24 ASP H 1 65 LEU MD2 . . 4.970 4.063 3.598 4.469 . 0 0 "[ . 1 . 2]" 1
693 1 24 ASP HA 1 25 ASP H . . 3.090 2.259 2.215 2.296 . 0 0 "[ . 1 . 2]" 1
694 1 24 ASP HA 1 25 ASP HB2 . . 4.450 4.297 4.229 4.448 . 0 0 "[ . 1 . 2]" 1
695 1 24 ASP HA 1 27 LEU QD . . 5.440 4.208 4.071 4.345 . 0 0 "[ . 1 . 2]" 1
696 1 24 ASP HB2 1 25 ASP H . . 4.720 4.234 4.176 4.311 . 0 0 "[ . 1 . 2]" 1
697 1 24 ASP HB2 1 26 CYS H . . 5.000 4.294 4.209 4.460 . 0 0 "[ . 1 . 2]" 1
698 1 24 ASP HB2 1 27 LEU H . . 4.530 4.142 3.993 4.275 . 0 0 "[ . 1 . 2]" 1
699 1 24 ASP HB2 1 27 LEU HB2 . . 5.370 4.420 4.142 4.608 . 0 0 "[ . 1 . 2]" 1
700 1 24 ASP HB2 1 27 LEU MD1 . . 4.720 2.289 2.070 2.543 . 0 0 "[ . 1 . 2]" 1
701 1 24 ASP HB2 1 27 LEU QD . . 3.670 2.275 2.063 2.517 . 0 0 "[ . 1 . 2]" 1
702 1 24 ASP HB2 1 27 LEU MD2 . . 4.720 3.989 3.851 4.200 . 0 0 "[ . 1 . 2]" 1
703 1 24 ASP HB2 1 27 LEU HG . . 3.970 2.867 2.698 3.100 . 0 0 "[ . 1 . 2]" 1
704 1 24 ASP HB2 1 65 LEU MD1 . . 4.160 3.172 2.668 3.607 . 0 0 "[ . 1 . 2]" 1
705 1 24 ASP HB2 1 65 LEU MD2 . . 4.070 2.504 1.984 2.971 . 0 0 "[ . 1 . 2]" 1
706 1 24 ASP HB3 1 25 ASP H . . 4.160 3.364 3.221 3.489 . 0 0 "[ . 1 . 2]" 1
707 1 24 ASP HB3 1 26 CYS H . . 4.410 2.634 2.485 2.768 . 0 0 "[ . 1 . 2]" 1
708 1 24 ASP HB3 1 27 LEU H . . 3.940 2.666 2.626 2.729 . 0 0 "[ . 1 . 2]" 1
709 1 24 ASP HB3 1 27 LEU QD . . 3.860 2.762 2.629 2.903 . 0 0 "[ . 1 . 2]" 1
710 1 24 ASP HB3 1 27 LEU HG . . 3.870 2.050 2.000 2.210 . 0 0 "[ . 1 . 2]" 1
711 1 25 ASP H 1 25 ASP HB2 . . 3.630 2.150 2.067 2.345 . 0 0 "[ . 1 . 2]" 1
712 1 25 ASP H 1 25 ASP HB3 . . 3.930 3.178 2.748 3.509 . 0 0 "[ . 1 . 2]" 1
713 1 25 ASP H 1 26 CYS H . . 4.770 2.591 2.528 2.670 . 0 0 "[ . 1 . 2]" 1
714 1 25 ASP HA 1 27 LEU H . . 4.500 3.816 3.791 3.834 . 0 0 "[ . 1 . 2]" 1
715 1 25 ASP HA 1 28 GLN H . . 4.170 3.985 3.973 4.000 . 0 0 "[ . 1 . 2]" 1
716 1 25 ASP HA 1 28 GLN HB2 . . 4.380 3.827 3.775 3.911 . 0 0 "[ . 1 . 2]" 1
717 1 25 ASP HA 1 28 GLN HB3 . . 5.000 4.579 4.557 4.612 . 0 0 "[ . 1 . 2]" 1
718 1 25 ASP HA 1 28 GLN HE21 . . 4.260 2.891 2.803 3.042 . 0 0 "[ . 1 . 2]" 1
719 1 25 ASP HA 1 28 GLN HE22 . . 4.940 4.337 4.232 4.397 . 0 0 "[ . 1 . 2]" 1
720 1 25 ASP HA 1 28 GLN HG2 . . 3.130 1.998 1.997 1.999 . 0 0 "[ . 1 . 2]" 1
721 1 25 ASP HB2 1 26 CYS H . . 4.460 3.484 3.115 3.904 . 0 0 "[ . 1 . 2]" 1
722 1 25 ASP HB3 1 26 CYS H . . 5.190 3.247 2.988 3.652 . 0 0 "[ . 1 . 2]" 1
723 1 25 ASP HB3 1 26 CYS HA . . 4.850 4.033 3.896 4.208 . 0 0 "[ . 1 . 2]" 1
724 1 26 CYS H 1 26 CYS QB . . 3.600 2.316 2.104 2.572 . 0 0 "[ . 1 . 2]" 1
725 1 26 CYS H 1 27 LEU H . . 3.900 2.528 2.517 2.596 . 0 0 "[ . 1 . 2]" 1
726 1 26 CYS HA 1 28 GLN H . . 4.400 3.502 3.493 3.507 . 0 0 "[ . 1 . 2]" 1
727 1 26 CYS HA 1 29 GLN HE21 . . 5.140 3.203 2.571 4.630 . 0 0 "[ . 1 . 2]" 1
728 1 26 CYS HA 1 29 GLN QE . . 4.370 3.004 2.326 4.076 . 0 0 "[ . 1 . 2]" 1
729 1 26 CYS HA 1 29 GLN HE22 . . 5.140 3.774 2.471 5.119 . 0 0 "[ . 1 . 2]" 1
730 1 26 CYS QB 1 27 LEU H . . 4.300 3.084 2.961 3.638 . 0 0 "[ . 1 . 2]" 1
731 1 26 CYS QB 1 29 GLN QE . . 4.170 3.596 3.077 4.151 . 0 0 "[ . 1 . 2]" 1
732 1 26 CYS QB 1 62 HIS HD2 . . 4.710 2.854 2.548 3.443 . 0 0 "[ . 1 . 2]" 1
733 1 26 CYS QB 1 62 HIS HE1 . . 4.730 4.133 3.699 4.709 . 0 0 "[ . 1 . 2]" 1
734 1 26 CYS QB 1 65 LEU MD1 . . 5.220 2.733 2.337 3.671 . 0 0 "[ . 1 . 2]" 1
735 1 26 CYS HB2 1 62 HIS HD2 . . 5.500 3.387 2.954 3.838 . 0 0 "[ . 1 . 2]" 1
736 1 26 CYS HB3 1 62 HIS HD2 . . 5.500 3.137 2.684 4.306 . 0 0 "[ . 1 . 2]" 1
737 1 26 CYS HG 1 62 HIS HD2 . . 5.000 3.369 2.221 4.343 . 0 0 "[ . 1 . 2]" 1
738 1 27 LEU H 1 27 LEU HB2 . . 3.070 2.716 2.677 2.747 . 0 0 "[ . 1 . 2]" 1
739 1 27 LEU H 1 27 LEU HB3 . . 3.860 3.666 3.663 3.668 . 0 0 "[ . 1 . 2]" 1
740 1 27 LEU H 1 27 LEU MD1 . . 4.300 3.655 3.600 3.735 . 0 0 "[ . 1 . 2]" 1
741 1 27 LEU H 1 27 LEU QD . . 3.620 2.980 2.953 3.030 . 0 0 "[ . 1 . 2]" 1
742 1 27 LEU H 1 27 LEU MD2 . . 4.300 3.160 3.116 3.238 . 0 0 "[ . 1 . 2]" 1
743 1 27 LEU H 1 27 LEU HG . . 3.160 2.175 2.118 2.260 . 0 0 "[ . 1 . 2]" 1
744 1 27 LEU H 1 28 GLN H . . 3.080 2.703 2.701 2.704 . 0 0 "[ . 1 . 2]" 1
745 1 27 LEU H 1 28 GLN HB2 . . 4.900 4.763 4.737 4.795 . 0 0 "[ . 1 . 2]" 1
746 1 27 LEU H 1 28 GLN HE21 . . 4.580 3.988 3.721 4.088 . 0 0 "[ . 1 . 2]" 1
747 1 27 LEU H 1 28 GLN HG2 . . 3.690 3.387 3.340 3.413 . 0 0 "[ . 1 . 2]" 1
748 1 27 LEU HA 1 27 LEU MD1 . . 4.530 3.948 3.906 3.979 . 0 0 "[ . 1 . 2]" 1
749 1 27 LEU HA 1 27 LEU QD . . 3.090 2.382 2.311 2.445 . 0 0 "[ . 1 . 2]" 1
750 1 27 LEU HA 1 27 LEU MD2 . . 4.530 2.401 2.327 2.468 . 0 0 "[ . 1 . 2]" 1
751 1 27 LEU HA 1 29 GLN QE . . 5.030 4.361 3.922 4.999 . 0 0 "[ . 1 . 2]" 1
752 1 27 LEU HA 1 29 GLN QG . . 4.730 3.854 3.744 3.978 . 0 0 "[ . 1 . 2]" 1
753 1 27 LEU HA 1 30 TYR H . . 4.560 3.586 3.570 3.604 . 0 0 "[ . 1 . 2]" 1
754 1 27 LEU HA 1 30 TYR QD . . 3.380 2.020 1.998 2.073 . 0 0 "[ . 1 . 2]" 1
755 1 27 LEU HA 1 30 TYR QE . . 3.900 3.009 2.865 3.338 . 0 0 "[ . 1 . 2]" 1
756 1 27 LEU HB2 1 27 LEU MD1 . . 3.650 2.259 2.141 2.370 . 0 0 "[ . 1 . 2]" 1
757 1 27 LEU HB2 1 27 LEU QD . . 3.070 2.214 2.109 2.310 . 0 0 "[ . 1 . 2]" 1
758 1 27 LEU HB2 1 27 LEU MD2 . . 3.650 3.185 3.176 3.192 . 0 0 "[ . 1 . 2]" 1
759 1 27 LEU HB2 1 28 GLN H . . 4.040 3.945 3.942 3.949 . 0 0 "[ . 1 . 2]" 1
760 1 27 LEU HB2 1 28 GLN HE21 . . 4.520 3.788 3.407 3.919 . 0 0 "[ . 1 . 2]" 1
761 1 27 LEU HB2 1 28 GLN HE22 . . 5.500 4.771 4.538 4.865 . 0 0 "[ . 1 . 2]" 1
762 1 27 LEU HB2 1 28 GLN HG2 . . 5.500 4.348 4.312 4.382 . 0 0 "[ . 1 . 2]" 1
763 1 27 LEU HB2 1 30 TYR QD . . 5.000 4.336 4.246 4.522 . 0 0 "[ . 1 . 2]" 1
764 1 27 LEU HB3 1 28 GLN H . . 4.620 4.523 4.508 4.534 . 0 0 "[ . 1 . 2]" 1
765 1 27 LEU HB3 1 28 GLN HA . . 5.150 5.058 5.016 5.093 . 0 0 "[ . 1 . 2]" 1
766 1 27 LEU HB3 1 30 TYR H . . 5.430 5.107 5.069 5.142 . 0 0 "[ . 1 . 2]" 1
767 1 27 LEU HB3 1 30 TYR QD . . 4.160 2.920 2.804 3.176 . 0 0 "[ . 1 . 2]" 1
768 1 27 LEU HB3 1 30 TYR QE . . 5.350 4.418 4.230 4.850 . 0 0 "[ . 1 . 2]" 1
769 1 27 LEU HB3 1 66 ILE MD . . 4.530 2.777 2.534 3.265 . 0 0 "[ . 1 . 2]" 1
770 1 27 LEU QD 1 28 GLN H . . 5.040 4.339 4.309 4.378 . 0 0 "[ . 1 . 2]" 1
771 1 27 LEU QD 1 30 TYR HB2 . . 4.680 4.327 4.130 4.416 . 0 0 "[ . 1 . 2]" 1
772 1 27 LEU QD 1 30 TYR QD . . 3.440 2.634 2.501 2.758 . 0 0 "[ . 1 . 2]" 1
773 1 27 LEU QD 1 30 TYR QE . . 3.260 2.491 2.278 2.801 . 0 0 "[ . 1 . 2]" 1
774 1 27 LEU QD 1 57 VAL QG . . 3.550 3.443 3.163 3.551 0.001 2 0 "[ . 1 . 2]" 1
775 1 27 LEU QD 1 62 HIS HB2 . . 4.180 3.840 3.565 4.175 . 0 0 "[ . 1 . 2]" 1
776 1 27 LEU QD 1 62 HIS HB3 . . 3.550 2.471 2.190 2.831 . 0 0 "[ . 1 . 2]" 1
777 1 27 LEU QD 1 62 HIS HD2 . . 3.780 3.688 3.354 3.783 0.003 13 0 "[ . 1 . 2]" 1
778 1 27 LEU QD 1 65 LEU H . . 4.350 3.650 3.469 3.831 . 0 0 "[ . 1 . 2]" 1
779 1 27 LEU QD 1 65 LEU HA . . 5.440 3.798 3.655 4.003 . 0 0 "[ . 1 . 2]" 1
780 1 27 LEU QD 1 65 LEU QB . . 2.910 1.826 1.705 2.008 . 0 0 "[ . 1 . 2]" 1
781 1 27 LEU QD 1 65 LEU HG . . 5.010 3.972 3.786 4.176 . 0 0 "[ . 1 . 2]" 1
782 1 27 LEU QD 1 66 ILE H . . 3.720 2.576 2.405 2.673 . 0 0 "[ . 1 . 2]" 1
783 1 27 LEU QD 1 66 ILE HA . . 4.030 2.365 2.218 2.510 . 0 0 "[ . 1 . 2]" 1
784 1 27 LEU QD 1 66 ILE HB . . 5.440 3.557 3.498 3.680 . 0 0 "[ . 1 . 2]" 1
785 1 27 LEU QD 1 66 ILE QG . . 3.300 1.670 1.633 1.738 . 0 0 "[ . 1 . 2]" 1
786 1 27 LEU MD1 1 65 LEU H . . 4.950 4.587 4.351 4.827 . 0 0 "[ . 1 . 2]" 1
787 1 27 LEU MD1 1 65 LEU HB2 . . 3.900 3.269 3.060 3.625 . 0 0 "[ . 1 . 2]" 1
788 1 27 LEU MD1 1 65 LEU HB3 . . 3.900 2.166 1.944 2.326 . 0 0 "[ . 1 . 2]" 1
789 1 27 LEU MD1 1 66 ILE H . . 4.260 2.893 2.750 3.094 . 0 0 "[ . 1 . 2]" 1
790 1 27 LEU MD1 1 66 ILE HA . . 4.960 2.387 2.235 2.542 . 0 0 "[ . 1 . 2]" 1
791 1 27 LEU MD2 1 65 LEU H . . 4.950 3.836 3.645 4.083 . 0 0 "[ . 1 . 2]" 1
792 1 27 LEU MD2 1 65 LEU HB2 . . 3.900 2.267 2.045 2.477 . 0 0 "[ . 1 . 2]" 1
793 1 27 LEU MD2 1 65 LEU HB3 . . 3.900 2.239 1.978 2.621 . 0 0 "[ . 1 . 2]" 1
794 1 27 LEU MD2 1 66 ILE H . . 4.260 2.906 2.646 3.168 . 0 0 "[ . 1 . 2]" 1
795 1 27 LEU MD2 1 66 ILE HA . . 4.960 3.854 3.676 4.039 . 0 0 "[ . 1 . 2]" 1
796 1 27 LEU HG 1 28 GLN H . . 5.130 4.634 4.586 4.705 . 0 0 "[ . 1 . 2]" 1
797 1 27 LEU HG 1 30 TYR QD . . 4.810 4.797 4.740 4.811 0.001 5 0 "[ . 1 . 2]" 1
798 1 27 LEU HG 1 65 LEU MD1 . . 4.210 3.192 2.731 3.641 . 0 0 "[ . 1 . 2]" 1
799 1 28 GLN H 1 28 GLN HB2 . . 3.220 2.464 2.450 2.490 . 0 0 "[ . 1 . 2]" 1
800 1 28 GLN H 1 28 GLN HB3 . . 3.860 3.640 3.633 3.647 . 0 0 "[ . 1 . 2]" 1
801 1 28 GLN H 1 28 GLN HE21 . . 4.320 4.096 3.778 4.211 . 0 0 "[ . 1 . 2]" 1
802 1 28 GLN H 1 28 GLN HE22 . . 5.390 5.334 5.161 5.390 . 3 0 "[ . 1 . 2]" 1
803 1 28 GLN H 1 28 GLN HG2 . . 2.910 2.534 2.485 2.571 . 0 0 "[ . 1 . 2]" 1
804 1 28 GLN H 1 29 GLN H . . 3.740 2.357 2.331 2.385 . 0 0 "[ . 1 . 2]" 1
805 1 28 GLN H 1 29 GLN HB3 . . 5.500 4.702 4.558 4.830 . 0 0 "[ . 1 . 2]" 1
806 1 28 GLN H 1 29 GLN QG . . 4.780 3.520 3.311 3.771 . 0 0 "[ . 1 . 2]" 1
807 1 28 GLN H 1 31 ILE MD . . 5.330 4.493 4.456 4.521 . 0 0 "[ . 1 . 2]" 1
808 1 28 GLN HA 1 28 GLN HE21 . . 4.520 3.606 3.275 3.730 . 0 0 "[ . 1 . 2]" 1
809 1 28 GLN HA 1 28 GLN HE22 . . 4.700 3.835 3.651 3.899 . 0 0 "[ . 1 . 2]" 1
810 1 28 GLN HA 1 28 GLN HG2 . . 3.900 3.021 2.986 3.055 . 0 0 "[ . 1 . 2]" 1
811 1 28 GLN HA 1 29 GLN HA . . 5.500 4.823 4.817 4.828 . 0 0 "[ . 1 . 2]" 1
812 1 28 GLN HA 1 30 TYR H . . 4.200 3.889 3.870 3.911 . 0 0 "[ . 1 . 2]" 1
813 1 28 GLN HA 1 31 ILE H . . 3.970 3.294 3.283 3.311 . 0 0 "[ . 1 . 2]" 1
814 1 28 GLN HA 1 31 ILE HB . . 4.140 3.740 3.720 3.759 . 0 0 "[ . 1 . 2]" 1
815 1 28 GLN HA 1 31 ILE MD . . 3.350 2.059 1.971 2.117 . 0 0 "[ . 1 . 2]" 1
816 1 28 GLN HA 1 31 ILE HG12 . . 3.930 3.401 3.392 3.408 . 0 0 "[ . 1 . 2]" 1
817 1 28 GLN HA 1 31 ILE HG13 . . 3.530 2.000 1.999 2.000 . 0 0 "[ . 1 . 2]" 1
818 1 28 GLN HB2 1 29 GLN H . . 3.930 2.466 2.404 2.515 . 0 0 "[ . 1 . 2]" 1
819 1 28 GLN HB3 1 29 GLN H . . 4.970 3.522 3.483 3.554 . 0 0 "[ . 1 . 2]" 1
820 1 28 GLN HB3 1 31 ILE MD . . 4.000 2.978 2.817 3.055 . 0 0 "[ . 1 . 2]" 1
821 1 28 GLN HE21 1 28 GLN HG2 . . 3.280 2.136 2.118 2.151 . 0 0 "[ . 1 . 2]" 1
822 1 28 GLN HE21 1 31 ILE MD . . 4.670 3.528 3.321 3.683 . 0 0 "[ . 1 . 2]" 1
823 1 28 GLN HE22 1 28 GLN HG2 . . 3.680 3.444 3.437 3.449 . 0 0 "[ . 1 . 2]" 1
824 1 28 GLN HE22 1 31 ILE MD . . 4.300 2.795 2.632 2.883 . 0 0 "[ . 1 . 2]" 1
825 1 28 GLN HE22 1 31 ILE HG13 . . 5.470 4.957 4.755 5.046 . 0 0 "[ . 1 . 2]" 1
826 1 28 GLN HG2 1 29 GLN H . . 4.960 4.240 4.178 4.282 . 0 0 "[ . 1 . 2]" 1
827 1 28 GLN HG2 1 31 ILE MD . . 4.770 3.913 3.839 4.015 . 0 0 "[ . 1 . 2]" 1
828 1 28 GLN HG3 1 29 GLN H . . 5.500 4.784 4.726 4.822 . 0 0 "[ . 1 . 2]" 1
829 1 28 GLN HG3 1 31 ILE MD . . 5.250 4.158 4.098 4.252 . 0 0 "[ . 1 . 2]" 1
830 1 29 GLN H 1 29 GLN HB3 . . 3.720 2.495 2.379 2.586 . 0 0 "[ . 1 . 2]" 1
831 1 29 GLN H 1 29 GLN QE . . 4.780 3.285 1.968 4.247 . 0 0 "[ . 1 . 2]" 1
832 1 29 GLN H 1 29 GLN HG2 . . 4.230 2.215 2.004 2.460 . 0 0 "[ . 1 . 2]" 1
833 1 29 GLN H 1 29 GLN QG . . 3.430 2.196 1.992 2.434 . 0 0 "[ . 1 . 2]" 1
834 1 29 GLN H 1 29 GLN HG3 . . 4.230 3.618 3.248 3.856 . 0 0 "[ . 1 . 2]" 1
835 1 29 GLN H 1 30 TYR H . . 3.890 2.703 2.697 2.706 . 0 0 "[ . 1 . 2]" 1
836 1 29 GLN HA 1 31 ILE H . . 4.670 4.008 3.986 4.019 . 0 0 "[ . 1 . 2]" 1
837 1 29 GLN HB2 1 30 TYR H . . 4.630 3.988 3.913 4.073 . 0 0 "[ . 1 . 2]" 1
838 1 29 GLN HB2 1 30 TYR HA . . 5.000 4.615 4.510 4.750 . 0 0 "[ . 1 . 2]" 1
839 1 29 GLN HB2 1 30 TYR QD . . 5.500 4.664 4.527 5.025 . 0 0 "[ . 1 . 2]" 1
840 1 29 GLN HB3 1 29 GLN QE . . 4.420 3.243 2.404 3.849 . 0 0 "[ . 1 . 2]" 1
841 1 29 GLN QE 1 29 GLN QG . . 2.990 2.147 2.066 2.330 . 0 0 "[ . 1 . 2]" 1
842 1 29 GLN QG 1 30 TYR H . . 3.440 2.335 2.165 2.443 . 0 0 "[ . 1 . 2]" 1
843 1 29 GLN QG 1 30 TYR HB2 . . 5.310 4.123 3.965 4.200 . 0 0 "[ . 1 . 2]" 1
844 1 29 GLN QG 1 30 TYR HB3 . . 5.340 4.645 4.535 4.741 . 0 0 "[ . 1 . 2]" 1
845 1 29 GLN QG 1 30 TYR QD . . 4.060 2.871 2.670 3.070 . 0 0 "[ . 1 . 2]" 1
846 1 29 GLN QG 1 30 TYR QE . . 4.120 3.083 2.970 3.311 . 0 0 "[ . 1 . 2]" 1
847 1 29 GLN QG 1 31 ILE H . . 5.040 4.417 4.355 4.457 . 0 0 "[ . 1 . 2]" 1
848 1 29 GLN HG2 1 30 TYR QD . . 4.720 3.747 3.438 4.129 . 0 0 "[ . 1 . 2]" 1
849 1 29 GLN HG3 1 30 TYR QD . . 4.720 2.993 2.735 3.260 . 0 0 "[ . 1 . 2]" 1
850 1 30 TYR H 1 30 TYR HB2 . . 3.300 2.516 2.440 2.543 . 0 0 "[ . 1 . 2]" 1
851 1 30 TYR H 1 30 TYR HB3 . . 3.870 3.609 3.601 3.612 . 0 0 "[ . 1 . 2]" 1
852 1 30 TYR H 1 30 TYR QD . . 3.560 3.209 3.182 3.270 . 0 0 "[ . 1 . 2]" 1
853 1 30 TYR H 1 30 TYR QE . . 4.950 4.545 4.496 4.677 . 0 0 "[ . 1 . 2]" 1
854 1 30 TYR H 1 31 ILE H . . 3.050 2.437 2.427 2.444 . 0 0 "[ . 1 . 2]" 1
855 1 30 TYR H 1 31 ILE HB . . 5.130 4.808 4.793 4.816 . 0 0 "[ . 1 . 2]" 1
856 1 30 TYR H 1 31 ILE MD . . 4.950 4.908 4.883 4.921 . 0 0 "[ . 1 . 2]" 1
857 1 30 TYR H 1 31 ILE HG12 . . 5.460 5.176 5.156 5.197 . 0 0 "[ . 1 . 2]" 1
858 1 30 TYR H 1 31 ILE HG13 . . 3.910 3.691 3.686 3.696 . 0 0 "[ . 1 . 2]" 1
859 1 30 TYR H 1 32 LYS H . . 4.870 4.497 4.368 4.720 . 0 0 "[ . 1 . 2]" 1
860 1 30 TYR HA 1 30 TYR QD . . 3.430 2.096 2.058 2.116 . 0 0 "[ . 1 . 2]" 1
861 1 30 TYR HA 1 32 LYS H . . 4.990 4.186 3.916 4.536 . 0 0 "[ . 1 . 2]" 1
862 1 30 TYR HA 1 33 ASN H . . 4.030 3.317 3.235 3.391 . 0 0 "[ . 1 . 2]" 1
863 1 30 TYR HA 1 33 ASN HB2 . . 5.000 2.999 2.584 3.445 . 0 0 "[ . 1 . 2]" 1
864 1 30 TYR HA 1 33 ASN HB3 . . 5.310 4.592 4.196 4.874 . 0 0 "[ . 1 . 2]" 1
865 1 30 TYR HA 1 33 ASN HD21 . . 4.940 2.800 2.006 3.431 . 0 0 "[ . 1 . 2]" 1
866 1 30 TYR HA 1 33 ASN QD . . 4.340 2.705 1.986 3.281 . 0 0 "[ . 1 . 2]" 1
867 1 30 TYR HA 1 33 ASN HD22 . . 4.940 3.664 2.883 4.177 . 0 0 "[ . 1 . 2]" 1
868 1 30 TYR HB2 1 31 ILE H . . 4.260 2.979 2.969 3.001 . 0 0 "[ . 1 . 2]" 1
869 1 30 TYR HB2 1 31 ILE HA . . 5.190 4.236 4.211 4.314 . 0 0 "[ . 1 . 2]" 1
870 1 30 TYR HB2 1 31 ILE MD . . 5.500 5.306 5.291 5.333 . 0 0 "[ . 1 . 2]" 1
871 1 30 TYR HB2 1 34 PHE QD . . 4.530 4.160 3.938 4.357 . 0 0 "[ . 1 . 2]" 1
872 1 30 TYR HB2 1 34 PHE QE . . 4.720 4.016 3.862 4.249 . 0 0 "[ . 1 . 2]" 1
873 1 30 TYR HB2 1 57 VAL MG1 . . 5.500 5.456 5.336 5.503 0.003 3 0 "[ . 1 . 2]" 1
874 1 30 TYR HB2 1 57 VAL QG . . 4.420 3.711 3.608 3.875 . 0 0 "[ . 1 . 2]" 1
875 1 30 TYR HB2 1 57 VAL MG2 . . 5.500 3.776 3.669 3.960 . 0 0 "[ . 1 . 2]" 1
876 1 30 TYR HB2 1 66 ILE MD . . 4.850 3.668 3.414 4.212 . 0 0 "[ . 1 . 2]" 1
877 1 30 TYR HB3 1 31 ILE H . . 4.590 3.988 3.927 4.021 . 0 0 "[ . 1 . 2]" 1
878 1 30 TYR HB3 1 33 ASN HB2 . . 4.720 3.684 3.634 3.768 . 0 0 "[ . 1 . 2]" 1
879 1 30 TYR HB3 1 33 ASN QD . . 4.920 3.899 3.377 4.539 . 0 0 "[ . 1 . 2]" 1
880 1 30 TYR HB3 1 34 PHE QE . . 4.160 2.745 2.584 3.028 . 0 0 "[ . 1 . 2]" 1
881 1 30 TYR HB3 1 57 VAL MG1 . . 5.500 5.090 4.951 5.259 . 0 0 "[ . 1 . 2]" 1
882 1 30 TYR HB3 1 57 VAL QG . . 3.970 2.943 2.817 3.120 . 0 0 "[ . 1 . 2]" 1
883 1 30 TYR HB3 1 57 VAL MG2 . . 5.500 2.962 2.833 3.147 . 0 0 "[ . 1 . 2]" 1
884 1 30 TYR HB3 1 66 ILE MD . . 4.850 3.981 3.781 4.380 . 0 0 "[ . 1 . 2]" 1
885 1 30 TYR QD 1 31 ILE H . . 4.920 4.506 4.485 4.563 . 0 0 "[ . 1 . 2]" 1
886 1 30 TYR QD 1 33 ASN HD21 . . 4.630 2.912 2.469 3.372 . 0 0 "[ . 1 . 2]" 1
887 1 30 TYR QD 1 33 ASN QD . . 4.040 2.796 2.366 3.231 . 0 0 "[ . 1 . 2]" 1
888 1 30 TYR QD 1 33 ASN HD22 . . 4.630 3.670 2.745 4.226 . 0 0 "[ . 1 . 2]" 1
889 1 30 TYR QD 1 57 VAL HA . . 4.720 4.006 3.767 4.352 . 0 0 "[ . 1 . 2]" 1
890 1 30 TYR QD 1 57 VAL HB . . 5.500 5.239 5.174 5.340 . 0 0 "[ . 1 . 2]" 1
891 1 30 TYR QD 1 57 VAL MG1 . . 4.720 3.821 3.725 3.877 . 0 0 "[ . 1 . 2]" 1
892 1 30 TYR QD 1 57 VAL QG . . 3.720 2.590 2.505 2.694 . 0 0 "[ . 1 . 2]" 1
893 1 30 TYR QD 1 57 VAL MG2 . . 4.720 2.635 2.539 2.751 . 0 0 "[ . 1 . 2]" 1
894 1 30 TYR QD 1 62 HIS HB3 . . 4.720 4.140 3.802 4.295 . 0 0 "[ . 1 . 2]" 1
895 1 30 TYR QD 1 66 ILE MD . . 4.210 2.602 2.260 2.944 . 0 0 "[ . 1 . 2]" 1
896 1 30 TYR QE 1 57 VAL HA . . 4.070 2.643 2.434 2.881 . 0 0 "[ . 1 . 2]" 1
897 1 30 TYR QE 1 57 VAL MG1 . . 4.620 2.753 2.608 2.908 . 0 0 "[ . 1 . 2]" 1
898 1 30 TYR QE 1 57 VAL QG . . 3.820 2.487 2.407 2.622 . 0 0 "[ . 1 . 2]" 1
899 1 30 TYR QE 1 57 VAL MG2 . . 4.620 2.840 2.683 2.981 . 0 0 "[ . 1 . 2]" 1
900 1 30 TYR QE 1 58 SER H . . 4.720 3.886 3.542 4.474 . 0 0 "[ . 1 . 2]" 1
901 1 30 TYR QE 1 59 ARG HB2 . . 5.500 4.661 4.468 4.996 . 0 0 "[ . 1 . 2]" 1
902 1 30 TYR QE 1 59 ARG HB3 . . 5.500 5.489 5.421 5.505 0.005 2 0 "[ . 1 . 2]" 1
903 1 30 TYR QE 1 62 HIS HB2 . . 4.450 3.180 2.763 3.510 . 0 0 "[ . 1 . 2]" 1
904 1 30 TYR QE 1 62 HIS HB3 . . 3.900 2.007 1.991 2.060 . 0 0 "[ . 1 . 2]" 1
905 1 31 ILE H 1 31 ILE HB . . 2.970 2.627 2.616 2.632 . 0 0 "[ . 1 . 2]" 1
906 1 31 ILE H 1 31 ILE MD . . 3.880 3.549 3.535 3.561 . 0 0 "[ . 1 . 2]" 1
907 1 31 ILE H 1 31 ILE HG12 . . 3.940 3.171 3.152 3.205 . 0 0 "[ . 1 . 2]" 1
908 1 31 ILE H 1 31 ILE HG13 . . 3.020 1.956 1.949 1.973 . 0 0 "[ . 1 . 2]" 1
909 1 31 ILE H 1 31 ILE MG . . 3.920 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
910 1 31 ILE H 1 32 LYS H . . 3.480 2.860 2.799 2.974 . 0 0 "[ . 1 . 2]" 1
911 1 31 ILE H 1 32 LYS QG . . 4.590 4.435 3.936 4.586 . 0 0 "[ . 1 . 2]" 1
912 1 31 ILE H 1 33 ASN H . . 4.790 4.088 4.021 4.227 . 0 0 "[ . 1 . 2]" 1
913 1 31 ILE HA 1 31 ILE MD . . 4.000 3.825 3.818 3.830 . 0 0 "[ . 1 . 2]" 1
914 1 31 ILE HA 1 31 ILE HG12 . . 3.630 2.531 2.519 2.538 . 0 0 "[ . 1 . 2]" 1
915 1 31 ILE HA 1 31 ILE HG13 . . 3.580 3.064 3.040 3.078 . 0 0 "[ . 1 . 2]" 1
916 1 31 ILE HA 1 31 ILE MG . . 3.240 2.360 2.324 2.390 . 0 0 "[ . 1 . 2]" 1
917 1 31 ILE HA 1 32 LYS HA . . 5.000 4.828 4.803 4.849 . 0 0 "[ . 1 . 2]" 1
918 1 31 ILE HA 1 32 LYS QG . . 5.340 5.224 5.002 5.329 . 0 0 "[ . 1 . 2]" 1
919 1 31 ILE HA 1 33 ASN H . . 4.390 3.957 3.882 4.087 . 0 0 "[ . 1 . 2]" 1
920 1 31 ILE HA 1 34 PHE H . . 4.090 3.135 3.064 3.232 . 0 0 "[ . 1 . 2]" 1
921 1 31 ILE HA 1 34 PHE HB2 . . 3.800 2.338 2.231 2.449 . 0 0 "[ . 1 . 2]" 1
922 1 31 ILE HA 1 34 PHE HB3 . . 4.530 3.934 3.828 4.100 . 0 0 "[ . 1 . 2]" 1
923 1 31 ILE HA 1 34 PHE QD . . 4.070 3.670 3.381 3.930 . 0 0 "[ . 1 . 2]" 1
924 1 31 ILE HA 1 35 GLU H . . 5.020 4.234 4.061 4.341 . 0 0 "[ . 1 . 2]" 1
925 1 31 ILE HB 1 31 ILE MD . . 3.240 2.391 2.359 2.435 . 0 0 "[ . 1 . 2]" 1
926 1 31 ILE HB 1 32 LYS H . . 2.980 2.494 2.241 2.694 . 0 0 "[ . 1 . 2]" 1
927 1 31 ILE MD 1 32 LYS H . . 4.990 4.480 4.296 4.644 . 0 0 "[ . 1 . 2]" 1
928 1 31 ILE HG12 1 31 ILE MG . . 3.560 2.396 2.351 2.412 . 0 0 "[ . 1 . 2]" 1
929 1 31 ILE HG12 1 32 LYS H . . 5.500 4.899 4.812 4.966 . 0 0 "[ . 1 . 2]" 1
930 1 31 ILE HG13 1 31 ILE MG . . 3.440 3.200 3.186 3.204 . 0 0 "[ . 1 . 2]" 1
931 1 31 ILE HG13 1 32 LYS H . . 5.100 4.130 4.091 4.193 . 0 0 "[ . 1 . 2]" 1
932 1 31 ILE MG 1 32 LYS H . . 3.850 3.395 3.126 3.535 . 0 0 "[ . 1 . 2]" 1
933 1 31 ILE MG 1 32 LYS HA . . 4.040 3.462 3.268 3.649 . 0 0 "[ . 1 . 2]" 1
934 1 31 ILE MG 1 33 ASN H . . 5.500 4.676 4.620 4.836 . 0 0 "[ . 1 . 2]" 1
935 1 31 ILE MG 1 34 PHE H . . 5.350 4.232 4.050 4.408 . 0 0 "[ . 1 . 2]" 1
936 1 31 ILE MG 1 34 PHE HB2 . . 5.050 3.458 3.246 3.692 . 0 0 "[ . 1 . 2]" 1
937 1 31 ILE MG 1 34 PHE HB3 . . 5.000 4.332 4.175 4.597 . 0 0 "[ . 1 . 2]" 1
938 1 31 ILE MG 1 34 PHE QD . . 5.500 4.895 4.751 5.074 . 0 0 "[ . 1 . 2]" 1
939 1 31 ILE MG 1 35 GLU H . . 4.830 3.931 3.723 4.094 . 0 0 "[ . 1 . 2]" 1
940 1 31 ILE MG 1 35 GLU HB2 . . 4.440 3.634 3.327 3.819 . 0 0 "[ . 1 . 2]" 1
941 1 31 ILE MG 1 35 GLU HG2 . . 4.210 3.695 3.443 3.875 . 0 0 "[ . 1 . 2]" 1
942 1 31 ILE MG 1 35 GLU HG3 . . 4.730 4.013 3.587 4.317 . 0 0 "[ . 1 . 2]" 1
943 1 32 LYS H 1 32 LYS HB2 . . 3.670 2.713 2.423 3.589 . 0 0 "[ . 1 . 2]" 1
944 1 32 LYS H 1 32 LYS QB . . 3.030 2.440 2.315 2.549 . 0 0 "[ . 1 . 2]" 1
945 1 32 LYS H 1 32 LYS HB3 . . 3.670 3.355 2.346 3.590 . 0 0 "[ . 1 . 2]" 1
946 1 32 LYS H 1 32 LYS HD2 . . 5.500 4.480 3.195 4.895 . 0 0 "[ . 1 . 2]" 1
947 1 32 LYS H 1 32 LYS HD3 . . 5.500 4.332 3.201 4.938 . 0 0 "[ . 1 . 2]" 1
948 1 32 LYS H 1 32 LYS QG . . 3.370 2.282 2.003 2.518 . 0 0 "[ . 1 . 2]" 1
949 1 32 LYS H 1 33 ASN H . . 3.410 2.702 2.648 2.759 . 0 0 "[ . 1 . 2]" 1
950 1 32 LYS H 1 34 PHE H . . 4.750 4.101 4.035 4.224 . 0 0 "[ . 1 . 2]" 1
951 1 32 LYS H 1 35 GLU HB2 . . 5.390 5.080 4.900 5.230 . 0 0 "[ . 1 . 2]" 1
952 1 32 LYS HA 1 32 LYS HD2 . . 5.470 4.017 2.672 5.466 . 0 0 "[ . 1 . 2]" 1
953 1 32 LYS HA 1 32 LYS QD . . 4.730 3.279 2.072 4.363 . 0 0 "[ . 1 . 2]" 1
954 1 32 LYS HA 1 32 LYS HD3 . . 5.470 3.608 2.093 5.395 . 0 0 "[ . 1 . 2]" 1
955 1 32 LYS HA 1 32 LYS QG . . 3.710 2.694 2.287 3.403 . 0 0 "[ . 1 . 2]" 1
956 1 32 LYS HA 1 34 PHE H . . 4.790 4.313 4.234 4.479 . 0 0 "[ . 1 . 2]" 1
957 1 32 LYS HA 1 35 GLU H . . 3.990 3.645 3.537 3.731 . 0 0 "[ . 1 . 2]" 1
958 1 32 LYS HA 1 35 GLU HB2 . . 3.130 2.925 2.774 3.020 . 0 0 "[ . 1 . 2]" 1
959 1 32 LYS HA 1 35 GLU HG2 . . 5.020 4.988 4.780 5.021 0.001 18 0 "[ . 1 . 2]" 1
960 1 32 LYS HA 1 35 GLU HG3 . . 4.450 4.363 4.027 4.450 0.000 16 0 "[ . 1 . 2]" 1
961 1 32 LYS HA 1 36 ARG H . . 4.770 4.759 4.699 4.770 0.000 2 0 "[ . 1 . 2]" 1
962 1 32 LYS QB 1 32 LYS QD . . 3.270 2.095 1.942 2.343 . 0 0 "[ . 1 . 2]" 1
963 1 32 LYS QB 1 32 LYS QE . . 4.330 3.305 2.305 3.869 . 0 0 "[ . 1 . 2]" 1
964 1 32 LYS QB 1 33 ASN H . . 3.540 2.983 2.736 3.540 0.000 16 0 "[ . 1 . 2]" 1
965 1 32 LYS QB 1 34 PHE H . . 5.070 4.795 4.694 5.070 0.000 16 0 "[ . 1 . 2]" 1
966 1 32 LYS HB2 1 32 LYS HE2 . . 5.500 4.573 3.351 5.500 . 0 0 "[ . 1 . 2]" 1
967 1 32 LYS HB2 1 32 LYS HE3 . . 5.500 4.256 2.520 5.234 . 0 0 "[ . 1 . 2]" 1
968 1 32 LYS HB2 1 33 ASN H . . 4.090 3.136 2.812 4.033 . 0 0 "[ . 1 . 2]" 1
969 1 32 LYS HB3 1 32 LYS HE2 . . 5.500 4.269 3.516 4.945 . 0 0 "[ . 1 . 2]" 1
970 1 32 LYS HB3 1 32 LYS HE3 . . 5.500 4.091 2.407 4.867 . 0 0 "[ . 1 . 2]" 1
971 1 32 LYS HB3 1 33 ASN H . . 4.090 3.892 3.746 4.093 0.003 8 0 "[ . 1 . 2]" 1
972 1 32 LYS QG 1 33 ASN H . . 4.440 3.754 2.020 4.224 . 0 0 "[ . 1 . 2]" 1
973 1 33 ASN H 1 33 ASN HB2 . . 3.160 2.401 2.305 2.562 . 0 0 "[ . 1 . 2]" 1
974 1 33 ASN H 1 33 ASN HB3 . . 3.800 3.601 3.572 3.632 . 0 0 "[ . 1 . 2]" 1
975 1 33 ASN H 1 34 PHE HA . . 5.480 4.997 4.944 5.081 . 0 0 "[ . 1 . 2]" 1
976 1 33 ASN H 1 34 PHE HB2 . . 4.580 4.253 4.178 4.355 . 0 0 "[ . 1 . 2]" 1
977 1 33 ASN H 1 34 PHE QD . . 4.140 3.814 3.691 3.999 . 0 0 "[ . 1 . 2]" 1
978 1 33 ASN H 1 35 GLU H . . 4.330 3.861 3.812 3.933 . 0 0 "[ . 1 . 2]" 1
979 1 33 ASN HA 1 33 ASN QD . . 4.590 4.033 3.947 4.123 . 0 0 "[ . 1 . 2]" 1
980 1 33 ASN HA 1 36 ARG H . . 3.810 3.566 3.472 3.664 . 0 0 "[ . 1 . 2]" 1
981 1 33 ASN HA 1 36 ARG HB2 . . 4.160 3.892 3.722 4.075 . 0 0 "[ . 1 . 2]" 1
982 1 33 ASN HA 1 36 ARG HB3 . . 4.070 3.704 3.418 3.980 . 0 0 "[ . 1 . 2]" 1
983 1 33 ASN HA 1 36 ARG QD . . 4.880 4.584 4.373 4.780 . 0 0 "[ . 1 . 2]" 1
984 1 33 ASN HA 1 37 GLU H . . 4.500 4.138 3.961 4.297 . 0 0 "[ . 1 . 2]" 1
985 1 33 ASN HB2 1 33 ASN QD . . 3.400 2.262 2.102 2.529 . 0 0 "[ . 1 . 2]" 1
986 1 33 ASN HB2 1 34 PHE H . . 3.620 2.899 2.709 2.992 . 0 0 "[ . 1 . 2]" 1
987 1 33 ASN HB2 1 34 PHE QD . . 4.000 2.859 2.597 2.990 . 0 0 "[ . 1 . 2]" 1
988 1 33 ASN HB2 1 37 GLU QG . . 5.340 4.577 4.052 5.062 . 0 0 "[ . 1 . 2]" 1
989 1 33 ASN HB2 1 55 LEU HB3 . . 4.850 3.178 2.813 3.452 . 0 0 "[ . 1 . 2]" 1
990 1 33 ASN HB2 1 55 LEU MD1 . . 5.190 4.592 2.687 5.191 0.001 8 0 "[ . 1 . 2]" 1
991 1 33 ASN HB2 1 55 LEU QD . . 4.160 3.155 2.678 3.594 . 0 0 "[ . 1 . 2]" 1
992 1 33 ASN HB2 1 55 LEU MD2 . . 5.190 3.662 2.944 5.190 . 0 0 "[ . 1 . 2]" 1
993 1 33 ASN HB3 1 33 ASN QD . . 3.410 2.761 2.460 3.040 . 0 0 "[ . 1 . 2]" 1
994 1 33 ASN HB3 1 34 PHE QE . . 5.500 5.025 4.774 5.358 . 0 0 "[ . 1 . 2]" 1
995 1 33 ASN HB3 1 37 GLU QG . . 5.050 3.284 2.972 3.681 . 0 0 "[ . 1 . 2]" 1
996 1 33 ASN HB3 1 55 LEU HA . . 4.620 3.310 3.006 3.618 . 0 0 "[ . 1 . 2]" 1
997 1 33 ASN HB3 1 55 LEU HB2 . . 5.000 4.680 4.411 4.999 . 0 0 "[ . 1 . 2]" 1
998 1 33 ASN HB3 1 55 LEU HB3 . . 4.620 3.043 2.754 3.452 . 0 0 "[ . 1 . 2]" 1
999 1 33 ASN HB3 1 55 LEU MD1 . . 5.000 4.488 2.311 5.002 0.002 2 0 "[ . 1 . 2]" 1
1000 1 33 ASN HB3 1 55 LEU QD . . 3.730 2.719 2.304 2.943 . 0 0 "[ . 1 . 2]" 1
1001 1 33 ASN HB3 1 55 LEU MD2 . . 5.000 3.191 2.599 4.852 . 0 0 "[ . 1 . 2]" 1
1002 1 33 ASN HB3 1 55 LEU HG . . 5.150 4.981 4.884 5.152 0.002 8 0 "[ . 1 . 2]" 1
1003 1 33 ASN QD 1 34 PHE QE . . 5.170 4.962 4.411 5.171 0.001 7 0 "[ . 1 . 2]" 1
1004 1 33 ASN QD 1 55 LEU HA . . 5.000 4.418 4.159 4.682 . 0 0 "[ . 1 . 2]" 1
1005 1 33 ASN QD 1 55 LEU HB3 . . 4.890 3.521 3.108 3.919 . 0 0 "[ . 1 . 2]" 1
1006 1 33 ASN QD 1 55 LEU QD . . 5.080 4.139 3.866 4.476 . 0 0 "[ . 1 . 2]" 1
1007 1 33 ASN QD 1 56 GLY HA2 . . 4.320 4.261 4.076 4.322 0.002 16 0 "[ . 1 . 2]" 1
1008 1 33 ASN QD 1 56 GLY HA3 . . 3.560 2.779 2.586 2.898 . 0 0 "[ . 1 . 2]" 1
1009 1 33 ASN QD 1 57 VAL QG . . 4.980 3.940 3.660 4.357 . 0 0 "[ . 1 . 2]" 1
1010 1 33 ASN HD21 1 56 GLY HA2 . . 5.020 4.719 4.387 5.006 . 0 0 "[ . 1 . 2]" 1
1011 1 33 ASN HD21 1 56 GLY HA3 . . 4.160 3.022 2.723 3.303 . 0 0 "[ . 1 . 2]" 1
1012 1 33 ASN HD22 1 56 GLY HA2 . . 5.020 4.863 4.632 5.025 0.005 6 0 "[ . 1 . 2]" 1
1013 1 33 ASN HD22 1 56 GLY HA3 . . 4.160 3.257 2.998 3.453 . 0 0 "[ . 1 . 2]" 1
1014 1 34 PHE H 1 34 PHE HB2 . . 3.170 2.196 2.175 2.238 . 0 0 "[ . 1 . 2]" 1
1015 1 34 PHE H 1 34 PHE HB3 . . 3.620 3.499 3.481 3.528 . 0 0 "[ . 1 . 2]" 1
1016 1 34 PHE H 1 34 PHE QD . . 3.260 2.408 2.200 2.510 . 0 0 "[ . 1 . 2]" 1
1017 1 34 PHE H 1 34 PHE QE . . 4.900 4.745 4.546 4.842 . 0 0 "[ . 1 . 2]" 1
1018 1 34 PHE H 1 35 GLU H . . 3.270 2.470 2.400 2.523 . 0 0 "[ . 1 . 2]" 1
1019 1 34 PHE H 1 35 GLU HB2 . . 4.330 4.267 4.211 4.330 0.000 5 0 "[ . 1 . 2]" 1
1020 1 34 PHE H 1 36 ARG H . . 4.700 4.224 4.005 4.434 . 0 0 "[ . 1 . 2]" 1
1021 1 34 PHE H 1 55 LEU HB3 . . 5.500 4.997 4.761 5.223 . 0 0 "[ . 1 . 2]" 1
1022 1 34 PHE H 1 55 LEU QD . . 4.860 3.622 3.400 3.800 . 0 0 "[ . 1 . 2]" 1
1023 1 34 PHE HA 1 34 PHE QD . . 3.800 2.871 2.723 3.046 . 0 0 "[ . 1 . 2]" 1
1024 1 34 PHE HA 1 37 GLU H . . 4.130 3.344 3.168 3.581 . 0 0 "[ . 1 . 2]" 1
1025 1 34 PHE HA 1 37 GLU HB2 . . 3.750 2.373 2.169 2.550 . 0 0 "[ . 1 . 2]" 1
1026 1 34 PHE HA 1 37 GLU HB3 . . 4.720 3.800 3.517 4.036 . 0 0 "[ . 1 . 2]" 1
1027 1 34 PHE HA 1 37 GLU QG . . 4.610 3.690 3.439 4.031 . 0 0 "[ . 1 . 2]" 1
1028 1 34 PHE HA 1 39 ILE H . . 3.920 3.474 3.290 3.672 . 0 0 "[ . 1 . 2]" 1
1029 1 34 PHE HA 1 39 ILE HB . . 4.120 3.968 3.825 4.078 . 0 0 "[ . 1 . 2]" 1
1030 1 34 PHE HA 1 39 ILE MD . . 4.120 3.867 3.754 4.050 . 0 0 "[ . 1 . 2]" 1
1031 1 34 PHE HA 1 39 ILE HG12 . . 3.710 2.533 2.383 2.747 . 0 0 "[ . 1 . 2]" 1
1032 1 34 PHE HA 1 39 ILE HG13 . . 3.750 3.230 3.105 3.379 . 0 0 "[ . 1 . 2]" 1
1033 1 34 PHE HA 1 39 ILE MG . . 4.930 4.842 4.738 4.930 0.000 3 0 "[ . 1 . 2]" 1
1034 1 34 PHE HA 1 55 LEU MD1 . . 4.660 3.947 2.205 4.546 . 0 0 "[ . 1 . 2]" 1
1035 1 34 PHE HA 1 55 LEU QD . . 3.490 2.405 2.201 2.589 . 0 0 "[ . 1 . 2]" 1
1036 1 34 PHE HA 1 55 LEU MD2 . . 4.660 2.893 2.274 4.658 . 0 0 "[ . 1 . 2]" 1
1037 1 34 PHE HB2 1 35 GLU H . . 3.580 3.084 2.942 3.132 . 0 0 "[ . 1 . 2]" 1
1038 1 34 PHE HB2 1 35 GLU HB2 . . 5.440 4.690 4.556 4.769 . 0 0 "[ . 1 . 2]" 1
1039 1 34 PHE HB2 1 39 ILE HB . . 5.310 5.005 4.922 5.086 . 0 0 "[ . 1 . 2]" 1
1040 1 34 PHE HB2 1 55 LEU QD . . 5.140 4.068 3.983 4.194 . 0 0 "[ . 1 . 2]" 1
1041 1 34 PHE HB3 1 35 GLU H . . 4.160 3.610 3.538 3.666 . 0 0 "[ . 1 . 2]" 1
1042 1 34 PHE HB3 1 35 GLU HA . . 4.720 4.187 4.151 4.230 . 0 0 "[ . 1 . 2]" 1
1043 1 34 PHE HB3 1 39 ILE H . . 4.680 3.941 3.782 4.120 . 0 0 "[ . 1 . 2]" 1
1044 1 34 PHE HB3 1 39 ILE HB . . 4.160 3.452 3.359 3.517 . 0 0 "[ . 1 . 2]" 1
1045 1 34 PHE HB3 1 39 ILE HG12 . . 5.120 3.827 3.688 4.014 . 0 0 "[ . 1 . 2]" 1
1046 1 34 PHE HB3 1 39 ILE MG . . 4.720 4.711 4.670 4.721 0.001 16 0 "[ . 1 . 2]" 1
1047 1 34 PHE QD 1 35 GLU H . . 4.850 4.484 4.389 4.528 . 0 0 "[ . 1 . 2]" 1
1048 1 34 PHE QD 1 39 ILE HB . . 3.460 2.367 1.999 2.568 . 0 0 "[ . 1 . 2]" 1
1049 1 34 PHE QD 1 39 ILE MD . . 4.620 4.280 4.132 4.439 . 0 0 "[ . 1 . 2]" 1
1050 1 34 PHE QD 1 39 ILE HG12 . . 4.480 3.617 3.316 3.838 . 0 0 "[ . 1 . 2]" 1
1051 1 34 PHE QD 1 44 LEU QD . . 4.320 3.964 3.644 4.319 . 0 0 "[ . 1 . 2]" 1
1052 1 34 PHE QD 1 47 ILE MD . . 5.150 4.966 4.744 5.148 . 0 0 "[ . 1 . 2]" 1
1053 1 34 PHE QD 1 52 LEU QD . . 5.440 4.972 4.638 5.240 . 0 0 "[ . 1 . 2]" 1
1054 1 34 PHE QD 1 55 LEU HB3 . . 5.000 3.349 3.094 3.526 . 0 0 "[ . 1 . 2]" 1
1055 1 34 PHE QD 1 55 LEU MD1 . . 4.660 3.379 2.541 3.618 . 0 0 "[ . 1 . 2]" 1
1056 1 34 PHE QD 1 55 LEU QD . . 3.900 2.489 2.297 2.764 . 0 0 "[ . 1 . 2]" 1
1057 1 34 PHE QD 1 55 LEU MD2 . . 4.660 2.924 2.323 4.624 . 0 0 "[ . 1 . 2]" 1
1058 1 34 PHE QD 1 55 LEU HG . . 5.070 4.780 3.516 5.072 0.002 6 0 "[ . 1 . 2]" 1
1059 1 34 PHE QE 1 39 ILE HB . . 5.000 3.546 3.224 3.783 . 0 0 "[ . 1 . 2]" 1
1060 1 34 PHE QE 1 39 ILE MG . . 3.500 2.666 2.351 2.934 . 0 0 "[ . 1 . 2]" 1
1061 1 34 PHE QE 1 44 LEU HA . . 4.860 4.772 4.600 4.861 0.001 2 0 "[ . 1 . 2]" 1
1062 1 34 PHE QE 1 44 LEU QD . . 3.320 2.686 2.429 3.185 . 0 0 "[ . 1 . 2]" 1
1063 1 34 PHE QE 1 47 ILE HB . . 5.450 5.412 5.168 5.451 0.001 13 0 "[ . 1 . 2]" 1
1064 1 34 PHE QE 1 47 ILE MD . . 3.830 3.311 3.051 3.472 . 0 0 "[ . 1 . 2]" 1
1065 1 34 PHE QE 1 52 LEU HA . . 5.480 4.368 4.117 4.723 . 0 0 "[ . 1 . 2]" 1
1066 1 34 PHE QE 1 52 LEU QD . . 3.870 3.210 2.907 3.485 . 0 0 "[ . 1 . 2]" 1
1067 1 34 PHE QE 1 55 LEU HB2 . . 4.850 3.205 2.895 3.368 . 0 0 "[ . 1 . 2]" 1
1068 1 34 PHE QE 1 55 LEU HB3 . . 4.620 2.855 2.538 3.036 . 0 0 "[ . 1 . 2]" 1
1069 1 34 PHE QE 1 55 LEU MD1 . . 4.380 2.342 2.051 3.290 . 0 0 "[ . 1 . 2]" 1
1070 1 34 PHE QE 1 55 LEU QD . . 3.730 2.265 1.991 3.129 . 0 0 "[ . 1 . 2]" 1
1071 1 34 PHE QE 1 55 LEU MD2 . . 4.380 3.029 2.637 3.964 . 0 0 "[ . 1 . 2]" 1
1072 1 34 PHE QE 1 57 VAL QG . . 3.650 3.086 2.874 3.265 . 0 0 "[ . 1 . 2]" 1
1073 1 34 PHE QE 1 66 ILE MD . . 4.580 3.716 3.533 4.330 . 0 0 "[ . 1 . 2]" 1
1074 1 34 PHE QE 1 66 ILE MG . . 4.380 4.076 3.823 4.294 . 0 0 "[ . 1 . 2]" 1
1075 1 34 PHE HZ 1 47 ILE MD . . 4.000 2.916 2.693 3.156 . 0 0 "[ . 1 . 2]" 1
1076 1 34 PHE HZ 1 52 LEU HA . . 5.000 4.250 3.945 4.611 . 0 0 "[ . 1 . 2]" 1
1077 1 34 PHE HZ 1 52 LEU QD . . 3.220 2.566 2.127 2.987 . 0 0 "[ . 1 . 2]" 1
1078 1 34 PHE HZ 1 55 LEU HB2 . . 5.000 4.592 4.201 4.866 . 0 0 "[ . 1 . 2]" 1
1079 1 34 PHE HZ 1 55 LEU QD . . 4.350 2.629 2.235 3.795 . 0 0 "[ . 1 . 2]" 1
1080 1 34 PHE HZ 1 57 VAL QG . . 4.230 4.066 3.852 4.226 . 0 0 "[ . 1 . 2]" 1
1081 1 34 PHE HZ 1 66 ILE MD . . 4.810 3.331 3.006 4.051 . 0 0 "[ . 1 . 2]" 1
1082 1 34 PHE HZ 1 66 ILE MG . . 4.630 3.884 3.574 4.154 . 0 0 "[ . 1 . 2]" 1
1083 1 35 GLU H 1 35 GLU HB2 . . 2.990 2.083 2.066 2.111 . 0 0 "[ . 1 . 2]" 1
1084 1 35 GLU H 1 35 GLU HG2 . . 3.880 3.679 3.509 3.850 . 0 0 "[ . 1 . 2]" 1
1085 1 35 GLU H 1 35 GLU HG3 . . 4.470 4.289 4.022 4.438 . 0 0 "[ . 1 . 2]" 1
1086 1 35 GLU H 1 36 ARG H . . 3.320 2.586 2.483 2.696 . 0 0 "[ . 1 . 2]" 1
1087 1 35 GLU H 1 37 GLU H . . 4.730 3.866 3.734 4.052 . 0 0 "[ . 1 . 2]" 1
1088 1 35 GLU HA 1 35 GLU HG2 . . 3.500 2.396 2.191 2.552 . 0 0 "[ . 1 . 2]" 1
1089 1 35 GLU HA 1 35 GLU HG3 . . 3.750 3.567 3.508 3.583 . 0 0 "[ . 1 . 2]" 1
1090 1 35 GLU HA 1 38 LYS H . . 4.190 3.716 3.529 3.885 . 0 0 "[ . 1 . 2]" 1
1091 1 35 GLU HA 1 38 LYS HA . . 4.470 4.047 3.836 4.221 . 0 0 "[ . 1 . 2]" 1
1092 1 35 GLU HB2 1 35 GLU HG2 . . 2.780 2.490 2.406 2.635 . 0 0 "[ . 1 . 2]" 1
1093 1 35 GLU HG2 1 36 ARG H . . 5.310 5.023 4.912 5.181 . 0 0 "[ . 1 . 2]" 1
1094 1 36 ARG H 1 36 ARG HB2 . . 2.980 2.364 2.219 2.567 . 0 0 "[ . 1 . 2]" 1
1095 1 36 ARG H 1 36 ARG HB3 . . 2.980 2.813 2.663 2.946 . 0 0 "[ . 1 . 2]" 1
1096 1 36 ARG H 1 36 ARG QD . . 4.870 4.410 3.990 4.541 . 0 0 "[ . 1 . 2]" 1
1097 1 36 ARG H 1 36 ARG HG2 . . 4.910 4.539 4.385 4.697 . 0 0 "[ . 1 . 2]" 1
1098 1 36 ARG H 1 36 ARG QG . . 4.230 3.938 3.827 4.035 . 0 0 "[ . 1 . 2]" 1
1099 1 36 ARG H 1 36 ARG HG3 . . 4.910 4.327 4.135 4.491 . 0 0 "[ . 1 . 2]" 1
1100 1 36 ARG H 1 37 GLU H . . 3.340 2.385 2.155 2.581 . 0 0 "[ . 1 . 2]" 1
1101 1 36 ARG H 1 37 GLU HB2 . . 5.500 4.346 4.084 4.626 . 0 0 "[ . 1 . 2]" 1
1102 1 36 ARG H 1 37 GLU QG . . 5.340 4.624 4.335 5.019 . 0 0 "[ . 1 . 2]" 1
1103 1 36 ARG H 1 38 LYS H . . 4.310 3.784 3.635 3.977 . 0 0 "[ . 1 . 2]" 1
1104 1 36 ARG HA 1 36 ARG HD2 . . 4.720 4.415 3.482 4.712 . 0 0 "[ . 1 . 2]" 1
1105 1 36 ARG HA 1 36 ARG HD3 . . 4.720 4.417 3.981 4.692 . 0 0 "[ . 1 . 2]" 1
1106 1 36 ARG HA 1 36 ARG HG2 . . 3.900 2.741 2.224 3.341 . 0 0 "[ . 1 . 2]" 1
1107 1 36 ARG HA 1 36 ARG QG . . 3.170 2.269 2.076 2.403 . 0 0 "[ . 1 . 2]" 1
1108 1 36 ARG HA 1 36 ARG HG3 . . 3.900 2.551 2.097 3.152 . 0 0 "[ . 1 . 2]" 1
1109 1 36 ARG HA 1 38 LYS H . . 4.540 3.959 3.868 4.064 . 0 0 "[ . 1 . 2]" 1
1110 1 36 ARG HA 1 38 LYS HE2 . . 5.500 4.487 3.590 5.322 . 0 0 "[ . 1 . 2]" 1
1111 1 36 ARG HA 1 38 LYS HE3 . . 5.500 4.531 3.205 5.465 . 0 0 "[ . 1 . 2]" 1
1112 1 36 ARG HA 1 38 LYS QG . . 4.520 3.563 3.427 3.821 . 0 0 "[ . 1 . 2]" 1
1113 1 36 ARG HB2 1 36 ARG HD2 . . 3.800 2.813 2.211 3.421 . 0 0 "[ . 1 . 2]" 1
1114 1 36 ARG HB2 1 36 ARG HD3 . . 3.800 3.053 2.245 3.692 . 0 0 "[ . 1 . 2]" 1
1115 1 36 ARG HB2 1 37 GLU H . . 3.800 3.722 3.530 3.801 0.001 11 0 "[ . 1 . 2]" 1
1116 1 36 ARG HB3 1 36 ARG QD . . 3.690 2.372 2.095 2.902 . 0 0 "[ . 1 . 2]" 1
1117 1 36 ARG HB3 1 37 GLU H . . 3.670 2.845 2.542 3.070 . 0 0 "[ . 1 . 2]" 1
1118 1 36 ARG HB3 1 37 GLU HA . . 4.850 4.055 3.928 4.115 . 0 0 "[ . 1 . 2]" 1
1119 1 36 ARG QG 1 37 GLU H . . 4.990 4.240 3.937 4.410 . 0 0 "[ . 1 . 2]" 1
1120 1 36 ARG QG 1 37 GLU HA . . 5.000 4.483 4.088 4.810 . 0 0 "[ . 1 . 2]" 1
1121 1 37 GLU H 1 37 GLU HB2 . . 3.110 2.236 2.137 2.347 . 0 0 "[ . 1 . 2]" 1
1122 1 37 GLU H 1 37 GLU HB3 . . 3.730 3.518 3.438 3.568 . 0 0 "[ . 1 . 2]" 1
1123 1 37 GLU H 1 37 GLU HG2 . . 3.960 3.134 2.710 3.509 . 0 0 "[ . 1 . 2]" 1
1124 1 37 GLU H 1 37 GLU QG . . 3.130 2.901 2.591 3.130 0.000 14 0 "[ . 1 . 2]" 1
1125 1 37 GLU H 1 37 GLU HG3 . . 3.960 3.462 3.227 3.783 . 0 0 "[ . 1 . 2]" 1
1126 1 37 GLU H 1 38 LYS H . . 3.090 2.447 2.336 2.574 . 0 0 "[ . 1 . 2]" 1
1127 1 37 GLU H 1 38 LYS HA . . 5.020 4.707 4.595 4.839 . 0 0 "[ . 1 . 2]" 1
1128 1 37 GLU H 1 55 LEU QD . . 4.520 3.946 3.743 4.145 . 0 0 "[ . 1 . 2]" 1
1129 1 37 GLU HA 1 37 GLU HG2 . . 4.040 2.295 2.100 2.734 . 0 0 "[ . 1 . 2]" 1
1130 1 37 GLU HA 1 37 GLU HG3 . . 4.040 3.560 3.402 3.700 . 0 0 "[ . 1 . 2]" 1
1131 1 37 GLU HA 1 38 LYS HB2 . . 4.620 4.375 4.290 4.481 . 0 0 "[ . 1 . 2]" 1
1132 1 37 GLU HA 1 38 LYS QG . . 4.220 3.973 3.659 4.171 . 0 0 "[ . 1 . 2]" 1
1133 1 37 GLU HA 1 39 ILE MD . . 4.720 4.316 4.219 4.463 . 0 0 "[ . 1 . 2]" 1
1134 1 37 GLU HA 1 55 LEU QD . . 4.960 4.342 4.166 4.503 . 0 0 "[ . 1 . 2]" 1
1135 1 37 GLU HB2 1 38 LYS H . . 3.920 3.183 3.118 3.277 . 0 0 "[ . 1 . 2]" 1
1136 1 37 GLU HB2 1 39 ILE H . . 4.530 3.453 3.223 3.721 . 0 0 "[ . 1 . 2]" 1
1137 1 37 GLU HB2 1 39 ILE MD . . 3.930 3.091 2.918 3.352 . 0 0 "[ . 1 . 2]" 1
1138 1 37 GLU HB2 1 55 LEU QD . . 3.910 2.334 2.188 2.521 . 0 0 "[ . 1 . 2]" 1
1139 1 37 GLU HB3 1 38 LYS H . . 4.250 3.764 3.622 3.886 . 0 0 "[ . 1 . 2]" 1
1140 1 37 GLU HB3 1 39 ILE H . . 4.330 3.543 3.272 3.838 . 0 0 "[ . 1 . 2]" 1
1141 1 37 GLU HB3 1 39 ILE MD . . 3.550 2.154 1.979 2.255 . 0 0 "[ . 1 . 2]" 1
1142 1 37 GLU HB3 1 39 ILE HG12 . . 4.210 2.679 2.235 2.905 . 0 0 "[ . 1 . 2]" 1
1143 1 37 GLU HB3 1 39 ILE HG13 . . 4.850 3.894 3.519 4.100 . 0 0 "[ . 1 . 2]" 1
1144 1 37 GLU HB3 1 55 LEU QD . . 3.780 2.547 2.282 2.801 . 0 0 "[ . 1 . 2]" 1
1145 1 37 GLU QG 1 38 LYS H . . 5.000 4.439 4.327 4.539 . 0 0 "[ . 1 . 2]" 1
1146 1 37 GLU QG 1 55 LEU HA . . 4.740 3.037 2.730 3.285 . 0 0 "[ . 1 . 2]" 1
1147 1 37 GLU QG 1 55 LEU QD . . 3.160 1.975 1.877 2.127 . 0 0 "[ . 1 . 2]" 1
1148 1 37 GLU HG2 1 39 ILE MD . . 4.530 4.395 4.235 4.494 . 0 0 "[ . 1 . 2]" 1
1149 1 37 GLU HG2 1 39 ILE HG12 . . 5.500 5.114 4.898 5.290 . 0 0 "[ . 1 . 2]" 1
1150 1 37 GLU HG2 1 55 LEU HA . . 5.500 4.422 3.988 4.762 . 0 0 "[ . 1 . 2]" 1
1151 1 37 GLU HG3 1 39 ILE MD . . 4.530 3.702 3.349 3.968 . 0 0 "[ . 1 . 2]" 1
1152 1 37 GLU HG3 1 39 ILE HG12 . . 5.500 4.297 4.086 4.566 . 0 0 "[ . 1 . 2]" 1
1153 1 37 GLU HG3 1 55 LEU HA . . 5.500 3.094 2.780 3.351 . 0 0 "[ . 1 . 2]" 1
1154 1 38 LYS H 1 38 LYS HA . . 2.730 2.274 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
1155 1 38 LYS H 1 38 LYS HB2 . . 3.960 3.585 3.521 3.667 . 0 0 "[ . 1 . 2]" 1
1156 1 38 LYS H 1 38 LYS QD . . 4.330 3.812 2.802 4.304 . 0 0 "[ . 1 . 2]" 1
1157 1 38 LYS H 1 38 LYS QG . . 3.200 2.598 2.501 2.803 . 0 0 "[ . 1 . 2]" 1
1158 1 38 LYS H 1 39 ILE H . . 3.370 2.748 2.707 2.783 . 0 0 "[ . 1 . 2]" 1
1159 1 38 LYS H 1 39 ILE HA . . 5.150 5.124 5.100 5.149 . 0 0 "[ . 1 . 2]" 1
1160 1 38 LYS H 1 39 ILE MD . . 4.900 4.577 4.414 4.724 . 0 0 "[ . 1 . 2]" 1
1161 1 38 LYS H 1 39 ILE HG12 . . 5.190 3.904 3.846 3.942 . 0 0 "[ . 1 . 2]" 1
1162 1 38 LYS HA 1 38 LYS QD . . 3.350 2.636 2.220 3.270 . 0 0 "[ . 1 . 2]" 1
1163 1 38 LYS HA 1 38 LYS QG . . 3.240 2.688 2.471 3.035 . 0 0 "[ . 1 . 2]" 1
1164 1 38 LYS HA 1 39 ILE H . . 3.280 2.753 2.694 2.816 . 0 0 "[ . 1 . 2]" 1
1165 1 38 LYS HA 1 39 ILE MD . . 5.500 5.116 4.974 5.253 . 0 0 "[ . 1 . 2]" 1
1166 1 38 LYS HA 1 39 ILE HG12 . . 5.500 4.701 4.626 4.775 . 0 0 "[ . 1 . 2]" 1
1167 1 38 LYS HA 1 40 SER H . . 5.500 5.500 5.499 5.501 0.001 18 0 "[ . 1 . 2]" 1
1168 1 38 LYS HB3 1 38 LYS HE2 . . 5.500 4.517 3.965 4.707 . 0 0 "[ . 1 . 2]" 1
1169 1 38 LYS HB3 1 38 LYS HE3 . . 5.500 4.301 3.974 4.567 . 0 0 "[ . 1 . 2]" 1
1170 1 38 LYS HB3 1 39 ILE H . . 5.380 4.456 4.431 4.493 . 0 0 "[ . 1 . 2]" 1
1171 1 38 LYS QE 1 38 LYS QG . . 3.230 2.123 1.986 2.345 . 0 0 "[ . 1 . 2]" 1
1172 1 38 LYS QG 1 39 ILE H . . 5.340 4.568 4.457 4.699 . 0 0 "[ . 1 . 2]" 1
1173 1 39 ILE H 1 39 ILE HB . . 3.020 2.578 2.547 2.607 . 0 0 "[ . 1 . 2]" 1
1174 1 39 ILE H 1 39 ILE MD . . 4.000 3.092 2.989 3.257 . 0 0 "[ . 1 . 2]" 1
1175 1 39 ILE H 1 39 ILE HG12 . . 2.940 2.043 2.001 2.088 . 0 0 "[ . 1 . 2]" 1
1176 1 39 ILE H 1 39 ILE HG13 . . 3.760 3.556 3.519 3.590 . 0 0 "[ . 1 . 2]" 1
1177 1 39 ILE H 1 39 ILE MG . . 3.830 3.764 3.763 3.766 . 0 0 "[ . 1 . 2]" 1
1178 1 39 ILE H 1 40 SER H . . 4.670 4.399 4.390 4.408 . 0 0 "[ . 1 . 2]" 1
1179 1 39 ILE HA 1 39 ILE MD . . 3.080 2.022 1.959 2.118 . 0 0 "[ . 1 . 2]" 1
1180 1 39 ILE HA 1 39 ILE HG12 . . 3.900 3.080 3.026 3.129 . 0 0 "[ . 1 . 2]" 1
1181 1 39 ILE HA 1 39 ILE MG . . 3.330 2.311 2.283 2.380 . 0 0 "[ . 1 . 2]" 1
1182 1 39 ILE HA 1 40 SER H . . 2.710 2.150 2.147 2.152 . 0 0 "[ . 1 . 2]" 1
1183 1 39 ILE HA 1 43 GLN HB2 . . 4.530 3.798 3.655 4.101 . 0 0 "[ . 1 . 2]" 1
1184 1 39 ILE HA 1 43 GLN HB3 . . 4.720 4.499 4.209 4.672 . 0 0 "[ . 1 . 2]" 1
1185 1 39 ILE HA 1 43 GLN HG3 . . 5.200 4.901 4.238 5.200 0.000 7 0 "[ . 1 . 2]" 1
1186 1 39 ILE HB 1 55 LEU QD . . 4.590 3.840 3.691 4.186 . 0 0 "[ . 1 . 2]" 1
1187 1 39 ILE MD 1 39 ILE MG . . 2.920 2.060 1.987 2.106 . 0 0 "[ . 1 . 2]" 1
1188 1 39 ILE MD 1 40 SER H . . 3.920 3.730 3.645 3.794 . 0 0 "[ . 1 . 2]" 1
1189 1 39 ILE MD 1 43 GLN HB2 . . 4.720 3.990 3.672 4.351 . 0 0 "[ . 1 . 2]" 1
1190 1 39 ILE MD 1 43 GLN HB3 . . 4.160 3.697 3.470 3.935 . 0 0 "[ . 1 . 2]" 1
1191 1 39 ILE MD 1 43 GLN HE21 . . 4.480 3.522 2.540 4.359 . 0 0 "[ . 1 . 2]" 1
1192 1 39 ILE MD 1 43 GLN QE . . 3.920 3.073 2.316 3.629 . 0 0 "[ . 1 . 2]" 1
1193 1 39 ILE MD 1 43 GLN HE22 . . 4.480 3.503 2.450 4.091 . 0 0 "[ . 1 . 2]" 1
1194 1 39 ILE MD 1 44 LEU HA . . 5.500 5.348 5.148 5.496 . 0 0 "[ . 1 . 2]" 1
1195 1 39 ILE MD 1 55 LEU MD1 . . 3.390 2.585 1.950 2.951 . 0 0 "[ . 1 . 2]" 1
1196 1 39 ILE MD 1 55 LEU MD2 . . 3.390 2.033 1.870 2.303 . 0 0 "[ . 1 . 2]" 1
1197 1 39 ILE HG12 1 39 ILE MG . . 3.560 3.189 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
1198 1 39 ILE HG12 1 40 SER H . . 5.290 5.148 5.103 5.184 . 0 0 "[ . 1 . 2]" 1
1199 1 39 ILE HG13 1 55 LEU MD1 . . 3.850 2.527 2.164 2.791 . 0 0 "[ . 1 . 2]" 1
1200 1 39 ILE HG13 1 55 LEU QD . . 3.360 2.011 1.888 2.533 . 0 0 "[ . 1 . 2]" 1
1201 1 39 ILE HG13 1 55 LEU MD2 . . 3.850 2.206 1.947 3.129 . 0 0 "[ . 1 . 2]" 1
1202 1 39 ILE MG 1 40 SER H . . 3.630 2.900 2.805 3.052 . 0 0 "[ . 1 . 2]" 1
1203 1 39 ILE MG 1 43 GLN H . . 4.290 4.129 3.981 4.256 . 0 0 "[ . 1 . 2]" 1
1204 1 39 ILE MG 1 43 GLN HB2 . . 3.300 2.698 2.405 3.135 . 0 0 "[ . 1 . 2]" 1
1205 1 39 ILE MG 1 43 GLN HB3 . . 3.500 3.034 2.647 3.371 . 0 0 "[ . 1 . 2]" 1
1206 1 39 ILE MG 1 43 GLN HG2 . . 5.210 5.042 4.755 5.210 0.000 7 0 "[ . 1 . 2]" 1
1207 1 39 ILE MG 1 43 GLN HG3 . . 5.420 4.487 4.114 4.772 . 0 0 "[ . 1 . 2]" 1
1208 1 39 ILE MG 1 44 LEU H . . 3.580 3.400 3.164 3.519 . 0 0 "[ . 1 . 2]" 1
1209 1 39 ILE MG 1 44 LEU QD . . 4.510 2.872 2.561 3.151 . 0 0 "[ . 1 . 2]" 1
1210 1 39 ILE MG 1 55 LEU QD . . 3.780 3.140 2.983 3.483 . 0 0 "[ . 1 . 2]" 1
1211 1 40 SER H 1 40 SER HB2 . . 3.980 3.376 2.689 3.620 . 0 0 "[ . 1 . 2]" 1
1212 1 40 SER H 1 40 SER QB . . 3.460 2.692 2.227 2.963 . 0 0 "[ . 1 . 2]" 1
1213 1 40 SER H 1 40 SER HB3 . . 3.980 2.880 2.251 3.457 . 0 0 "[ . 1 . 2]" 1
1214 1 40 SER H 1 43 GLN H . . 4.340 4.053 3.984 4.152 . 0 0 "[ . 1 . 2]" 1
1215 1 40 SER H 1 43 GLN HB2 . . 3.410 2.918 2.771 3.025 . 0 0 "[ . 1 . 2]" 1
1216 1 40 SER H 1 43 GLN HB3 . . 4.450 4.322 4.046 4.450 . 0 0 "[ . 1 . 2]" 1
1217 1 40 SER H 1 43 GLN HG3 . . 4.420 3.731 3.067 4.257 . 0 0 "[ . 1 . 2]" 1
1218 1 40 SER HA 1 41 GLY H . . 3.190 2.385 2.340 2.442 . 0 0 "[ . 1 . 2]" 1
1219 1 40 SER QB 1 41 GLY H . . 3.450 2.672 2.370 3.337 . 0 0 "[ . 1 . 2]" 1
1220 1 40 SER QB 1 42 ASP H . . 3.920 2.951 2.607 3.660 . 0 0 "[ . 1 . 2]" 1
1221 1 40 SER QB 1 43 GLN H . . 4.550 3.462 2.992 4.005 . 0 0 "[ . 1 . 2]" 1
1222 1 40 SER HB2 1 41 GLY H . . 4.040 2.811 2.417 3.861 . 0 0 "[ . 1 . 2]" 1
1223 1 40 SER HB2 1 42 ASP H . . 4.700 3.170 2.627 4.666 . 0 0 "[ . 1 . 2]" 1
1224 1 40 SER HB3 1 41 GLY H . . 4.040 3.574 2.915 4.015 . 0 0 "[ . 1 . 2]" 1
1225 1 40 SER HB3 1 42 ASP H . . 4.700 4.305 3.384 4.689 . 0 0 "[ . 1 . 2]" 1
1226 1 41 GLY H 1 41 GLY HA3 . . 2.940 2.295 2.294 2.297 . 0 0 "[ . 1 . 2]" 1
1227 1 41 GLY H 1 42 ASP H . . 3.600 2.806 2.722 2.858 . 0 0 "[ . 1 . 2]" 1
1228 1 41 GLY H 1 42 ASP QB . . 5.340 4.568 4.421 5.169 . 0 0 "[ . 1 . 2]" 1
1229 1 41 GLY H 1 43 GLN H . . 4.920 4.161 4.105 4.275 . 0 0 "[ . 1 . 2]" 1
1230 1 41 GLY HA2 1 43 GLN H . . 4.830 3.926 3.856 4.103 . 0 0 "[ . 1 . 2]" 1
1231 1 41 GLY HA2 1 44 LEU H . . 4.080 3.012 2.959 3.079 . 0 0 "[ . 1 . 2]" 1
1232 1 41 GLY HA2 1 44 LEU HB2 . . 4.070 3.137 2.964 3.329 . 0 0 "[ . 1 . 2]" 1
1233 1 41 GLY HA2 1 44 LEU HB3 . . 3.800 2.246 2.135 2.391 . 0 0 "[ . 1 . 2]" 1
1234 1 41 GLY HA2 1 44 LEU MD1 . . 5.000 4.552 4.385 4.834 . 0 0 "[ . 1 . 2]" 1
1235 1 41 GLY HA2 1 44 LEU QD . . 4.160 2.969 2.791 3.140 . 0 0 "[ . 1 . 2]" 1
1236 1 41 GLY HA2 1 44 LEU MD2 . . 5.000 3.011 2.815 3.216 . 0 0 "[ . 1 . 2]" 1
1237 1 41 GLY HA2 1 44 LEU HG . . 5.150 4.748 4.381 5.035 . 0 0 "[ . 1 . 2]" 1
1238 1 41 GLY HA2 1 45 LEU H . . 4.720 3.694 3.580 3.834 . 0 0 "[ . 1 . 2]" 1
1239 1 41 GLY HA2 1 45 LEU HB2 . . 5.500 4.985 4.585 5.404 . 0 0 "[ . 1 . 2]" 1
1240 1 41 GLY HA3 1 42 ASP HA . . 4.850 4.332 4.325 4.339 . 0 0 "[ . 1 . 2]" 1
1241 1 41 GLY HA3 1 44 LEU H . . 4.600 4.252 4.185 4.386 . 0 0 "[ . 1 . 2]" 1
1242 1 41 GLY HA3 1 44 LEU HB3 . . 4.720 3.820 3.742 3.944 . 0 0 "[ . 1 . 2]" 1
1243 1 41 GLY HA3 1 45 LEU H . . 5.070 4.548 4.457 4.672 . 0 0 "[ . 1 . 2]" 1
1244 1 42 ASP H 1 42 ASP HB2 . . 3.710 2.612 2.235 3.568 . 0 0 "[ . 1 . 2]" 1
1245 1 42 ASP H 1 42 ASP QB . . 3.170 2.253 2.162 2.680 . 0 0 "[ . 1 . 2]" 1
1246 1 42 ASP H 1 42 ASP HB3 . . 3.710 2.607 2.250 2.878 . 0 0 "[ . 1 . 2]" 1
1247 1 42 ASP H 1 43 GLN H . . 3.170 2.758 2.732 2.788 . 0 0 "[ . 1 . 2]" 1
1248 1 42 ASP H 1 43 GLN HB2 . . 4.920 4.829 4.689 4.920 0.000 14 0 "[ . 1 . 2]" 1
1249 1 42 ASP HA 1 44 LEU H . . 5.080 4.418 4.325 4.677 . 0 0 "[ . 1 . 2]" 1
1250 1 42 ASP HA 1 45 LEU H . . 4.220 3.966 3.858 4.152 . 0 0 "[ . 1 . 2]" 1
1251 1 42 ASP HA 1 45 LEU HB2 . . 4.380 3.412 3.284 3.601 . 0 0 "[ . 1 . 2]" 1
1252 1 42 ASP HA 1 45 LEU HB3 . . 5.010 4.528 3.885 5.009 . 0 0 "[ . 1 . 2]" 1
1253 1 42 ASP HA 1 45 LEU QD . . 4.080 3.390 2.575 3.893 . 0 0 "[ . 1 . 2]" 1
1254 1 42 ASP QB 1 43 GLN H . . 3.450 2.928 2.808 3.459 0.009 15 0 "[ . 1 . 2]" 1
1255 1 42 ASP QB 1 43 GLN HA . . 4.610 4.269 4.076 4.574 . 0 0 "[ . 1 . 2]" 1
1256 1 42 ASP QB 1 43 GLN HB2 . . 5.340 4.564 4.250 5.247 . 0 0 "[ . 1 . 2]" 1
1257 1 42 ASP QB 1 43 GLN HG2 . . 5.340 4.335 3.517 5.275 . 0 0 "[ . 1 . 2]" 1
1258 1 42 ASP QB 1 43 GLN HG3 . . 5.340 3.906 3.238 4.715 . 0 0 "[ . 1 . 2]" 1
1259 1 42 ASP QB 1 44 LEU H . . 5.340 4.786 4.645 5.179 . 0 0 "[ . 1 . 2]" 1
1260 1 42 ASP HB2 1 43 GLN H . . 4.270 3.975 3.671 4.157 . 0 0 "[ . 1 . 2]" 1
1261 1 42 ASP HB3 1 43 GLN H . . 4.270 3.056 2.873 4.189 . 0 0 "[ . 1 . 2]" 1
1262 1 43 GLN H 1 43 GLN HB2 . . 2.800 2.288 2.181 2.392 . 0 0 "[ . 1 . 2]" 1
1263 1 43 GLN H 1 43 GLN HB3 . . 3.720 3.549 3.388 3.617 . 0 0 "[ . 1 . 2]" 1
1264 1 43 GLN H 1 43 GLN HG2 . . 4.380 3.633 3.083 3.958 . 0 0 "[ . 1 . 2]" 1
1265 1 43 GLN H 1 43 GLN HG3 . . 4.680 3.132 2.713 3.801 . 0 0 "[ . 1 . 2]" 1
1266 1 43 GLN H 1 44 LEU H . . 3.140 2.274 2.212 2.358 . 0 0 "[ . 1 . 2]" 1
1267 1 43 GLN H 1 44 LEU HB2 . . 4.850 4.670 4.551 4.810 . 0 0 "[ . 1 . 2]" 1
1268 1 43 GLN H 1 44 LEU HB3 . . 4.490 4.413 4.325 4.490 0.000 11 0 "[ . 1 . 2]" 1
1269 1 43 GLN H 1 45 LEU H . . 4.770 4.083 3.933 4.242 . 0 0 "[ . 1 . 2]" 1
1270 1 43 GLN H 1 45 LEU HB2 . . 5.500 5.207 5.091 5.361 . 0 0 "[ . 1 . 2]" 1
1271 1 43 GLN H 1 46 ARG QG . . 5.340 4.463 4.288 4.569 . 0 0 "[ . 1 . 2]" 1
1272 1 43 GLN HA 1 43 GLN HG2 . . 3.100 2.260 2.061 2.455 . 0 0 "[ . 1 . 2]" 1
1273 1 43 GLN HA 1 45 LEU H . . 4.720 4.548 4.306 4.706 . 0 0 "[ . 1 . 2]" 1
1274 1 43 GLN HA 1 46 ARG H . . 4.150 3.571 3.468 3.715 . 0 0 "[ . 1 . 2]" 1
1275 1 43 GLN HA 1 46 ARG HB3 . . 5.150 4.884 4.526 5.136 . 0 0 "[ . 1 . 2]" 1
1276 1 43 GLN HA 1 46 ARG HD2 . . 5.500 4.075 2.953 4.828 . 0 0 "[ . 1 . 2]" 1
1277 1 43 GLN HA 1 46 ARG QD . . 4.830 3.171 2.683 3.833 . 0 0 "[ . 1 . 2]" 1
1278 1 43 GLN HA 1 46 ARG HD3 . . 5.500 3.644 2.721 4.836 . 0 0 "[ . 1 . 2]" 1
1279 1 43 GLN HA 1 46 ARG HG2 . . 4.320 2.594 2.102 3.365 . 0 0 "[ . 1 . 2]" 1
1280 1 43 GLN HA 1 46 ARG HG3 . . 4.320 2.937 2.265 3.364 . 0 0 "[ . 1 . 2]" 1
1281 1 43 GLN HB2 1 44 LEU H . . 3.490 2.970 2.728 3.180 . 0 0 "[ . 1 . 2]" 1
1282 1 43 GLN HB3 1 43 GLN QE . . 4.420 2.556 1.971 3.562 . 0 0 "[ . 1 . 2]" 1
1283 1 43 GLN HB3 1 43 GLN HE22 . . 5.200 3.588 3.309 4.203 . 0 0 "[ . 1 . 2]" 1
1284 1 43 GLN HB3 1 44 LEU H . . 4.260 3.645 3.391 3.854 . 0 0 "[ . 1 . 2]" 1
1285 1 43 GLN HG2 1 44 LEU H . . 5.500 4.958 4.674 5.122 . 0 0 "[ . 1 . 2]" 1
1286 1 43 GLN HG3 1 44 LEU H . . 5.500 4.794 4.532 5.201 . 0 0 "[ . 1 . 2]" 1
1287 1 44 LEU H 1 44 LEU HB2 . . 3.080 2.629 2.544 2.707 . 0 0 "[ . 1 . 2]" 1
1288 1 44 LEU H 1 44 LEU HB3 . . 3.180 2.410 2.335 2.463 . 0 0 "[ . 1 . 2]" 1
1289 1 44 LEU H 1 44 LEU MD1 . . 4.620 4.184 4.110 4.258 . 0 0 "[ . 1 . 2]" 1
1290 1 44 LEU H 1 44 LEU QD . . 3.950 3.715 3.689 3.751 . 0 0 "[ . 1 . 2]" 1
1291 1 44 LEU H 1 44 LEU MD2 . . 4.620 4.158 4.077 4.219 . 0 0 "[ . 1 . 2]" 1
1292 1 44 LEU H 1 44 LEU HG . . 4.730 4.418 4.357 4.449 . 0 0 "[ . 1 . 2]" 1
1293 1 44 LEU H 1 45 LEU H . . 3.470 2.619 2.535 2.835 . 0 0 "[ . 1 . 2]" 1
1294 1 44 LEU H 1 45 LEU HB2 . . 5.090 4.482 4.337 4.621 . 0 0 "[ . 1 . 2]" 1
1295 1 44 LEU H 1 45 LEU QD . . 5.440 4.757 4.359 5.143 . 0 0 "[ . 1 . 2]" 1
1296 1 44 LEU H 1 46 ARG H . . 4.810 3.970 3.873 4.158 . 0 0 "[ . 1 . 2]" 1
1297 1 44 LEU H 1 46 ARG QG . . 5.340 4.471 4.373 4.557 . 0 0 "[ . 1 . 2]" 1
1298 1 44 LEU H 1 47 ILE HB . . 4.970 4.598 4.476 4.762 . 0 0 "[ . 1 . 2]" 1
1299 1 44 LEU HA 1 44 LEU MD1 . . 4.260 2.462 2.124 2.883 . 0 0 "[ . 1 . 2]" 1
1300 1 44 LEU HA 1 44 LEU QD . . 2.990 2.435 2.115 2.812 . 0 0 "[ . 1 . 2]" 1
1301 1 44 LEU HA 1 44 LEU MD2 . . 4.260 3.940 3.879 3.966 . 0 0 "[ . 1 . 2]" 1
1302 1 44 LEU HA 1 44 LEU HG . . 4.160 2.975 2.763 3.360 . 0 0 "[ . 1 . 2]" 1
1303 1 44 LEU HA 1 46 ARG H . . 4.760 4.111 3.897 4.444 . 0 0 "[ . 1 . 2]" 1
1304 1 44 LEU HA 1 47 ILE H . . 3.910 3.500 3.349 3.681 . 0 0 "[ . 1 . 2]" 1
1305 1 44 LEU HA 1 47 ILE HB . . 3.370 2.096 2.000 2.241 . 0 0 "[ . 1 . 2]" 1
1306 1 44 LEU HA 1 47 ILE MD . . 3.580 2.819 2.640 2.969 . 0 0 "[ . 1 . 2]" 1
1307 1 44 LEU HA 1 47 ILE HG13 . . 5.020 4.765 4.500 4.878 . 0 0 "[ . 1 . 2]" 1
1308 1 44 LEU HA 1 47 ILE MG . . 3.580 3.080 2.752 3.416 . 0 0 "[ . 1 . 2]" 1
1309 1 44 LEU HA 1 70 VAL QG . . 5.280 4.131 3.974 4.268 . 0 0 "[ . 1 . 2]" 1
1310 1 44 LEU HB2 1 44 LEU MD1 . . 3.610 2.160 1.984 2.379 . 0 0 "[ . 1 . 2]" 1
1311 1 44 LEU HB2 1 44 LEU QD . . 2.940 2.047 1.938 2.146 . 0 0 "[ . 1 . 2]" 1
1312 1 44 LEU HB2 1 44 LEU MD2 . . 3.610 2.591 2.285 2.811 . 0 0 "[ . 1 . 2]" 1
1313 1 44 LEU HB3 1 45 LEU H . . 3.380 2.512 2.375 2.720 . 0 0 "[ . 1 . 2]" 1
1314 1 44 LEU HB3 1 45 LEU QD . . 4.470 3.940 3.504 4.223 . 0 0 "[ . 1 . 2]" 1
1315 1 44 LEU HB3 1 70 VAL QG . . 5.140 4.174 3.928 4.398 . 0 0 "[ . 1 . 2]" 1
1316 1 44 LEU QD 1 45 LEU H . . 4.250 3.614 3.243 3.901 . 0 0 "[ . 1 . 2]" 1
1317 1 44 LEU QD 1 45 LEU HB2 . . 5.440 4.758 3.935 5.342 . 0 0 "[ . 1 . 2]" 1
1318 1 44 LEU QD 1 45 LEU HG . . 5.440 4.681 3.717 5.440 0.000 11 0 "[ . 1 . 2]" 1
1319 1 44 LEU QD 1 70 VAL HA . . 4.810 3.909 3.488 4.214 . 0 0 "[ . 1 . 2]" 1
1320 1 44 LEU QD 1 70 VAL QG . . 2.840 2.233 1.923 2.517 . 0 0 "[ . 1 . 2]" 1
1321 1 44 LEU QD 1 73 LEU QD . . 4.910 2.461 2.029 3.376 . 0 0 "[ . 1 . 2]" 1
1322 1 44 LEU MD1 1 45 LEU H . . 5.210 4.601 4.158 4.756 . 0 0 "[ . 1 . 2]" 1
1323 1 44 LEU MD2 1 45 LEU H . . 5.210 3.804 3.307 4.292 . 0 0 "[ . 1 . 2]" 1
1324 1 44 LEU HG 1 45 LEU H . . 4.040 3.683 3.277 3.854 . 0 0 "[ . 1 . 2]" 1
1325 1 44 LEU HG 1 45 LEU QD . . 4.960 4.165 3.590 4.676 . 0 0 "[ . 1 . 2]" 1
1326 1 44 LEU HG 1 47 ILE H . . 5.470 4.687 4.421 5.071 . 0 0 "[ . 1 . 2]" 1
1327 1 44 LEU HG 1 70 VAL HA . . 5.000 4.988 4.915 5.005 0.005 14 0 "[ . 1 . 2]" 1
1328 1 44 LEU HG 1 70 VAL MG1 . . 3.560 2.778 2.351 3.031 . 0 0 "[ . 1 . 2]" 1
1329 1 44 LEU HG 1 70 VAL QG . . 3.070 2.392 2.237 2.620 . 0 0 "[ . 1 . 2]" 1
1330 1 44 LEU HG 1 70 VAL MG2 . . 3.560 2.629 2.433 2.958 . 0 0 "[ . 1 . 2]" 1
1331 1 44 LEU HG 1 73 LEU QD . . 5.320 4.138 3.774 5.273 . 0 0 "[ . 1 . 2]" 1
1332 1 45 LEU H 1 45 LEU HB2 . . 2.790 2.167 2.041 2.361 . 0 0 "[ . 1 . 2]" 1
1333 1 45 LEU H 1 45 LEU HB3 . . 3.770 3.332 3.017 3.567 . 0 0 "[ . 1 . 2]" 1
1334 1 45 LEU H 1 45 LEU MD1 . . 4.380 3.150 2.792 3.657 . 0 0 "[ . 1 . 2]" 1
1335 1 45 LEU H 1 45 LEU QD . . 3.560 3.026 2.737 3.205 . 0 0 "[ . 1 . 2]" 1
1336 1 45 LEU H 1 45 LEU MD2 . . 4.380 4.018 3.544 4.200 . 0 0 "[ . 1 . 2]" 1
1337 1 45 LEU H 1 46 ARG H . . 3.390 2.695 2.585 2.824 . 0 0 "[ . 1 . 2]" 1
1338 1 45 LEU H 1 47 ILE HB . . 5.230 4.911 4.793 4.987 . 0 0 "[ . 1 . 2]" 1
1339 1 45 LEU H 1 70 VAL MG1 . . 5.500 4.376 4.197 4.444 . 0 0 "[ . 1 . 2]" 1
1340 1 45 LEU H 1 70 VAL QG . . 4.250 4.208 4.048 4.252 0.002 1 0 "[ . 1 . 2]" 1
1341 1 45 LEU H 1 70 VAL MG2 . . 5.500 5.462 5.315 5.503 0.003 5 0 "[ . 1 . 2]" 1
1342 1 45 LEU HA 1 45 LEU MD1 . . 4.040 2.899 2.061 3.878 . 0 0 "[ . 1 . 2]" 1
1343 1 45 LEU HA 1 45 LEU QD . . 2.920 2.274 2.053 2.662 . 0 0 "[ . 1 . 2]" 1
1344 1 45 LEU HA 1 45 LEU MD2 . . 4.040 3.201 2.102 3.802 . 0 0 "[ . 1 . 2]" 1
1345 1 45 LEU HA 1 45 LEU HG . . 3.820 2.648 2.443 2.928 . 0 0 "[ . 1 . 2]" 1
1346 1 45 LEU HA 1 47 ILE H . . 4.370 3.947 3.853 4.037 . 0 0 "[ . 1 . 2]" 1
1347 1 45 LEU HA 1 70 VAL MG1 . . 4.530 2.569 2.349 2.710 . 0 0 "[ . 1 . 2]" 1
1348 1 45 LEU HA 1 70 VAL QG . . 3.110 2.551 2.336 2.688 . 0 0 "[ . 1 . 2]" 1
1349 1 45 LEU HA 1 70 VAL MG2 . . 4.530 4.349 4.112 4.519 . 0 0 "[ . 1 . 2]" 1
1350 1 45 LEU HB2 1 45 LEU MD1 . . 3.490 2.270 2.161 2.357 . 0 0 "[ . 1 . 2]" 1
1351 1 45 LEU HB2 1 45 LEU MD2 . . 3.490 2.700 2.212 3.190 . 0 0 "[ . 1 . 2]" 1
1352 1 45 LEU HB2 1 46 ARG H . . 4.320 3.171 2.639 3.675 . 0 0 "[ . 1 . 2]" 1
1353 1 45 LEU HB3 1 45 LEU MD1 . . 3.460 2.913 2.400 3.190 . 0 0 "[ . 1 . 2]" 1
1354 1 45 LEU HB3 1 45 LEU QD . . 3.010 2.143 1.940 2.348 . 0 0 "[ . 1 . 2]" 1
1355 1 45 LEU HB3 1 45 LEU MD2 . . 3.460 2.214 1.994 2.417 . 0 0 "[ . 1 . 2]" 1
1356 1 45 LEU HB3 1 46 ARG H . . 3.950 3.270 2.846 3.673 . 0 0 "[ . 1 . 2]" 1
1357 1 45 LEU HB3 1 46 ARG HB3 . . 4.720 3.903 3.597 4.358 . 0 0 "[ . 1 . 2]" 1
1358 1 45 LEU HB3 1 47 ILE H . . 5.500 5.098 4.890 5.342 . 0 0 "[ . 1 . 2]" 1
1359 1 45 LEU QD 1 46 ARG H . . 4.920 4.188 4.058 4.274 . 0 0 "[ . 1 . 2]" 1
1360 1 45 LEU QD 1 70 VAL HA . . 5.280 4.859 4.657 5.278 . 0 0 "[ . 1 . 2]" 1
1361 1 45 LEU QD 1 70 VAL QG . . 3.330 2.736 2.479 3.123 . 0 0 "[ . 1 . 2]" 1
1362 1 45 LEU QD 1 73 LEU HA . . 5.390 5.337 5.171 5.396 0.006 11 0 "[ . 1 . 2]" 1
1363 1 45 LEU QD 1 73 LEU HB2 . . 4.590 3.959 3.721 4.323 . 0 0 "[ . 1 . 2]" 1
1364 1 45 LEU QD 1 73 LEU HB3 . . 4.030 3.364 3.117 3.631 . 0 0 "[ . 1 . 2]" 1
1365 1 45 LEU QD 1 73 LEU QD . . 4.350 3.510 3.221 3.834 . 0 0 "[ . 1 . 2]" 1
1366 1 45 LEU QD 1 74 CYS H . . 4.730 3.918 3.474 4.444 . 0 0 "[ . 1 . 2]" 1
1367 1 45 LEU QD 1 74 CYS HA . . 3.950 3.416 2.937 3.821 . 0 0 "[ . 1 . 2]" 1
1368 1 45 LEU QD 1 74 CYS QB . . 4.180 2.935 1.972 3.437 . 0 0 "[ . 1 . 2]" 1
1369 1 46 ARG H 1 46 ARG HB2 . . 3.870 3.752 3.687 3.795 . 0 0 "[ . 1 . 2]" 1
1370 1 46 ARG H 1 46 ARG HB3 . . 3.410 2.934 2.863 3.064 . 0 0 "[ . 1 . 2]" 1
1371 1 46 ARG H 1 46 ARG HD2 . . 5.310 4.418 3.768 4.910 . 0 0 "[ . 1 . 2]" 1
1372 1 46 ARG H 1 46 ARG QD . . 4.530 3.845 3.498 4.249 . 0 0 "[ . 1 . 2]" 1
1373 1 46 ARG H 1 46 ARG HD3 . . 5.310 4.270 3.707 4.762 . 0 0 "[ . 1 . 2]" 1
1374 1 46 ARG H 1 46 ARG QG . . 3.060 2.136 2.013 2.282 . 0 0 "[ . 1 . 2]" 1
1375 1 46 ARG H 1 47 ILE H . . 2.940 2.625 2.473 2.791 . 0 0 "[ . 1 . 2]" 1
1376 1 46 ARG H 1 47 ILE HA . . 4.590 4.452 4.341 4.552 . 0 0 "[ . 1 . 2]" 1
1377 1 46 ARG H 1 47 ILE HB . . 4.570 4.326 4.182 4.508 . 0 0 "[ . 1 . 2]" 1
1378 1 46 ARG H 1 47 ILE MG . . 5.040 4.304 4.138 4.514 . 0 0 "[ . 1 . 2]" 1
1379 1 46 ARG H 1 70 VAL QG . . 5.370 4.853 4.699 4.993 . 0 0 "[ . 1 . 2]" 1
1380 1 46 ARG HA 1 46 ARG HD2 . . 5.500 4.743 4.506 5.407 . 0 0 "[ . 1 . 2]" 1
1381 1 46 ARG HA 1 46 ARG QD . . 4.680 4.193 3.881 4.372 . 0 0 "[ . 1 . 2]" 1
1382 1 46 ARG HA 1 46 ARG HD3 . . 5.500 4.892 4.029 5.488 . 0 0 "[ . 1 . 2]" 1
1383 1 46 ARG HA 1 46 ARG HG2 . . 4.250 3.832 3.630 4.142 . 0 0 "[ . 1 . 2]" 1
1384 1 46 ARG HA 1 46 ARG QG . . 3.650 3.348 3.333 3.375 . 0 0 "[ . 1 . 2]" 1
1385 1 46 ARG HA 1 46 ARG HG3 . . 4.250 3.730 3.567 3.911 . 0 0 "[ . 1 . 2]" 1
1386 1 46 ARG HA 1 47 ILE MG . . 5.000 4.224 4.132 4.321 . 0 0 "[ . 1 . 2]" 1
1387 1 46 ARG HB2 1 46 ARG QD . . 3.610 2.476 1.979 3.155 . 0 0 "[ . 1 . 2]" 1
1388 1 46 ARG HB2 1 47 ILE H . . 4.950 4.495 4.454 4.523 . 0 0 "[ . 1 . 2]" 1
1389 1 46 ARG HB3 1 46 ARG QD . . 3.590 2.549 2.108 3.415 . 0 0 "[ . 1 . 2]" 1
1390 1 46 ARG HB3 1 47 ILE H . . 4.680 4.562 4.515 4.612 . 0 0 "[ . 1 . 2]" 1
1391 1 46 ARG QG 1 47 ILE H . . 4.220 3.639 3.504 3.818 . 0 0 "[ . 1 . 2]" 1
1392 1 46 ARG QG 1 47 ILE HA . . 4.730 3.797 3.633 3.976 . 0 0 "[ . 1 . 2]" 1
1393 1 47 ILE H 1 47 ILE HB . . 2.800 2.553 2.465 2.616 . 0 0 "[ . 1 . 2]" 1
1394 1 47 ILE H 1 47 ILE MD . . 4.320 4.251 4.194 4.299 . 0 0 "[ . 1 . 2]" 1
1395 1 47 ILE H 1 47 ILE HG12 . . 5.000 4.624 4.585 4.659 . 0 0 "[ . 1 . 2]" 1
1396 1 47 ILE H 1 47 ILE HG13 . . 5.290 4.390 4.370 4.409 . 0 0 "[ . 1 . 2]" 1
1397 1 47 ILE H 1 47 ILE MG . . 3.120 2.093 2.016 2.269 . 0 0 "[ . 1 . 2]" 1
1398 1 47 ILE H 1 67 LEU QD . . 5.300 4.299 3.996 4.495 . 0 0 "[ . 1 . 2]" 1
1399 1 47 ILE H 1 70 VAL QG . . 4.860 4.053 3.867 4.194 . 0 0 "[ . 1 . 2]" 1
1400 1 47 ILE HA 1 47 ILE MD . . 3.850 3.056 2.902 3.354 . 0 0 "[ . 1 . 2]" 1
1401 1 47 ILE HA 1 47 ILE HG12 . . 3.930 3.601 3.477 3.672 . 0 0 "[ . 1 . 2]" 1
1402 1 47 ILE HA 1 47 ILE HG13 . . 3.130 2.355 2.264 2.441 . 0 0 "[ . 1 . 2]" 1
1403 1 47 ILE HA 1 48 THR H . . 2.940 2.171 2.154 2.187 . 0 0 "[ . 1 . 2]" 1
1404 1 47 ILE HA 1 48 THR MG . . 4.120 3.756 3.607 3.863 . 0 0 "[ . 1 . 2]" 1
1405 1 47 ILE HA 1 51 GLU H . . 5.310 5.188 5.059 5.286 . 0 0 "[ . 1 . 2]" 1
1406 1 47 ILE HA 1 51 GLU QG . . 4.730 3.075 2.724 3.638 . 0 0 "[ . 1 . 2]" 1
1407 1 47 ILE HB 1 47 ILE MD . . 3.150 2.095 1.989 2.209 . 0 0 "[ . 1 . 2]" 1
1408 1 47 ILE HB 1 48 THR H . . 4.530 4.172 4.124 4.191 . 0 0 "[ . 1 . 2]" 1
1409 1 47 ILE HB 1 67 LEU QD . . 5.150 4.277 4.187 4.414 . 0 0 "[ . 1 . 2]" 1
1410 1 47 ILE HB 1 70 VAL QG . . 5.140 4.300 3.969 4.506 . 0 0 "[ . 1 . 2]" 1
1411 1 47 ILE MD 1 48 THR H . . 4.450 3.712 3.561 3.971 . 0 0 "[ . 1 . 2]" 1
1412 1 47 ILE MD 1 51 GLU HA . . 5.430 4.637 4.206 5.100 . 0 0 "[ . 1 . 2]" 1
1413 1 47 ILE MD 1 51 GLU QB . . 4.630 2.349 1.915 2.869 . 0 0 "[ . 1 . 2]" 1
1414 1 47 ILE MD 1 51 GLU QG . . 4.130 3.776 3.399 4.131 0.001 4 0 "[ . 1 . 2]" 1
1415 1 47 ILE MD 1 52 LEU H . . 4.030 3.553 3.286 3.871 . 0 0 "[ . 1 . 2]" 1
1416 1 47 ILE MD 1 52 LEU HA . . 4.280 3.249 2.965 3.501 . 0 0 "[ . 1 . 2]" 1
1417 1 47 ILE MD 1 55 LEU QD . . 3.190 2.610 2.358 3.084 . 0 0 "[ . 1 . 2]" 1
1418 1 47 ILE MD 1 55 LEU HG . . 5.290 4.475 3.616 4.831 . 0 0 "[ . 1 . 2]" 1
1419 1 47 ILE MD 1 70 VAL QG . . 5.160 4.542 4.072 4.850 . 0 0 "[ . 1 . 2]" 1
1420 1 47 ILE HG12 1 47 ILE MG . . 3.030 2.015 1.958 2.143 . 0 0 "[ . 1 . 2]" 1
1421 1 47 ILE HG12 1 48 THR H . . 4.070 3.714 3.476 3.945 . 0 0 "[ . 1 . 2]" 1
1422 1 47 ILE HG12 1 52 LEU H . . 4.600 4.008 3.774 4.297 . 0 0 "[ . 1 . 2]" 1
1423 1 47 ILE HG12 1 52 LEU MD1 . . 4.070 2.833 2.475 3.234 . 0 0 "[ . 1 . 2]" 1
1424 1 47 ILE HG12 1 52 LEU QD . . 3.530 2.602 2.436 2.838 . 0 0 "[ . 1 . 2]" 1
1425 1 47 ILE HG12 1 52 LEU MD2 . . 4.070 3.210 2.594 3.772 . 0 0 "[ . 1 . 2]" 1
1426 1 47 ILE HG12 1 52 LEU HG . . 4.630 2.315 2.055 2.614 . 0 0 "[ . 1 . 2]" 1
1427 1 47 ILE HG12 1 55 LEU QD . . 5.140 4.556 4.259 5.141 0.001 20 0 "[ . 1 . 2]" 1
1428 1 47 ILE HG12 1 66 ILE MG . . 4.600 4.524 4.272 4.604 0.004 14 0 "[ . 1 . 2]" 1
1429 1 47 ILE HG12 1 67 LEU QD . . 4.350 3.146 3.005 3.513 . 0 0 "[ . 1 . 2]" 1
1430 1 47 ILE HG13 1 47 ILE MG . . 3.300 2.937 2.860 3.060 . 0 0 "[ . 1 . 2]" 1
1431 1 47 ILE HG13 1 48 THR H . . 3.410 2.218 2.111 2.326 . 0 0 "[ . 1 . 2]" 1
1432 1 47 ILE HG13 1 48 THR MG . . 4.630 3.841 3.756 3.990 . 0 0 "[ . 1 . 2]" 1
1433 1 47 ILE HG13 1 55 LEU QD . . 5.140 4.470 4.158 5.089 . 0 0 "[ . 1 . 2]" 1
1434 1 47 ILE MG 1 48 THR H . . 4.260 3.872 3.774 3.988 . 0 0 "[ . 1 . 2]" 1
1435 1 47 ILE MG 1 52 LEU H . . 5.500 5.268 4.985 5.470 . 0 0 "[ . 1 . 2]" 1
1436 1 47 ILE MG 1 67 LEU HA . . 4.260 3.680 3.561 3.820 . 0 0 "[ . 1 . 2]" 1
1437 1 47 ILE MG 1 67 LEU MD1 . . 4.450 3.893 3.794 3.979 . 0 0 "[ . 1 . 2]" 1
1438 1 47 ILE MG 1 67 LEU QD . . 3.040 1.846 1.797 1.945 . 0 0 "[ . 1 . 2]" 1
1439 1 47 ILE MG 1 67 LEU MD2 . . 4.450 1.850 1.801 1.949 . 0 0 "[ . 1 . 2]" 1
1440 1 48 THR H 1 48 THR MG . . 3.290 2.041 1.931 2.166 . 0 0 "[ . 1 . 2]" 1
1441 1 48 THR H 1 51 GLU H . . 3.920 3.271 3.139 3.408 . 0 0 "[ . 1 . 2]" 1
1442 1 48 THR H 1 51 GLU QB . . 3.320 2.170 1.940 2.405 . 0 0 "[ . 1 . 2]" 1
1443 1 48 THR H 1 51 GLU HG2 . . 4.850 3.667 3.133 4.364 . 0 0 "[ . 1 . 2]" 1
1444 1 48 THR H 1 51 GLU QG . . 4.100 2.499 2.050 2.949 . 0 0 "[ . 1 . 2]" 1
1445 1 48 THR H 1 51 GLU HG3 . . 4.850 2.552 2.064 3.069 . 0 0 "[ . 1 . 2]" 1
1446 1 48 THR H 1 52 LEU H . . 4.630 3.977 3.739 4.211 . 0 0 "[ . 1 . 2]" 1
1447 1 48 THR H 1 52 LEU QD . . 5.440 4.581 4.097 4.902 . 0 0 "[ . 1 . 2]" 1
1448 1 48 THR MG 1 49 HIS H . . 4.410 3.289 3.148 3.426 . 0 0 "[ . 1 . 2]" 1
1449 1 48 THR MG 1 49 HIS QB . . 4.880 4.061 3.887 4.228 . 0 0 "[ . 1 . 2]" 1
1450 1 48 THR MG 1 50 GLN H . . 4.460 2.033 1.935 2.150 . 0 0 "[ . 1 . 2]" 1
1451 1 48 THR MG 1 51 GLU H . . 4.260 1.961 1.872 2.164 . 0 0 "[ . 1 . 2]" 1
1452 1 48 THR MG 1 51 GLU QB . . 4.010 2.623 2.228 2.845 . 0 0 "[ . 1 . 2]" 1
1453 1 48 THR MG 1 51 GLU HG2 . . 5.000 2.600 1.972 3.575 . 0 0 "[ . 1 . 2]" 1
1454 1 48 THR MG 1 51 GLU QG . . 4.210 2.151 1.911 2.526 . 0 0 "[ . 1 . 2]" 1
1455 1 48 THR MG 1 51 GLU HG3 . . 5.000 2.424 2.055 2.964 . 0 0 "[ . 1 . 2]" 1
1456 1 48 THR MG 1 52 LEU H . . 4.850 3.888 3.673 4.143 . 0 0 "[ . 1 . 2]" 1
1457 1 49 HIS H 1 49 HIS HB2 . . 4.150 2.268 2.125 2.483 . 0 0 "[ . 1 . 2]" 1
1458 1 49 HIS H 1 49 HIS QB . . 3.510 2.242 2.106 2.440 . 0 0 "[ . 1 . 2]" 1
1459 1 49 HIS H 1 49 HIS HB3 . . 4.150 3.530 3.438 3.591 . 0 0 "[ . 1 . 2]" 1
1460 1 49 HIS H 1 50 GLN H . . 3.870 2.780 2.737 2.844 . 0 0 "[ . 1 . 2]" 1
1461 1 49 HIS H 1 67 LEU MD1 . . 4.810 4.315 3.896 4.636 . 0 0 "[ . 1 . 2]" 1
1462 1 49 HIS H 1 67 LEU MD2 . . 4.810 4.630 4.220 4.813 0.003 20 0 "[ . 1 . 2]" 1
1463 1 49 HIS HA 1 49 HIS HD2 . . 4.620 3.120 2.469 3.849 . 0 0 "[ . 1 . 2]" 1
1464 1 49 HIS HA 1 52 LEU H . . 4.260 3.539 3.402 3.635 . 0 0 "[ . 1 . 2]" 1
1465 1 49 HIS HA 1 52 LEU HB2 . . 3.710 2.653 2.480 2.829 . 0 0 "[ . 1 . 2]" 1
1466 1 49 HIS HA 1 52 LEU HB3 . . 4.450 4.224 3.945 4.449 . 0 0 "[ . 1 . 2]" 1
1467 1 49 HIS HA 1 52 LEU QD . . 3.410 2.646 2.129 2.955 . 0 0 "[ . 1 . 2]" 1
1468 1 49 HIS HA 1 53 GLU H . . 4.400 4.066 3.842 4.311 . 0 0 "[ . 1 . 2]" 1
1469 1 49 HIS HA 1 63 GLN HB3 . . 4.160 3.825 3.311 4.146 . 0 0 "[ . 1 . 2]" 1
1470 1 49 HIS HA 1 63 GLN QE . . 4.840 3.774 2.829 4.374 . 0 0 "[ . 1 . 2]" 1
1471 1 49 HIS HA 1 67 LEU QD . . 4.300 3.949 3.574 4.207 . 0 0 "[ . 1 . 2]" 1
1472 1 49 HIS QB 1 50 GLN H . . 3.260 2.745 2.552 2.878 . 0 0 "[ . 1 . 2]" 1
1473 1 49 HIS QB 1 67 LEU QD . . 4.820 4.591 4.180 4.798 . 0 0 "[ . 1 . 2]" 1
1474 1 49 HIS HB2 1 50 GLN H . . 3.870 2.893 2.635 3.105 . 0 0 "[ . 1 . 2]" 1
1475 1 49 HIS HB3 1 50 GLN H . . 3.870 3.444 3.244 3.762 . 0 0 "[ . 1 . 2]" 1
1476 1 49 HIS HD2 1 60 ILE MD . . 4.380 3.648 2.543 4.380 . 0 0 "[ . 1 . 2]" 1
1477 1 49 HIS HD2 1 63 GLN HB2 . . 4.620 3.335 2.802 3.785 . 0 0 "[ . 1 . 2]" 1
1478 1 49 HIS HD2 1 63 GLN HB3 . . 4.260 2.822 1.998 3.680 . 0 0 "[ . 1 . 2]" 1
1479 1 49 HIS HD2 1 63 GLN HG2 . . 5.440 3.946 3.120 4.901 . 0 0 "[ . 1 . 2]" 1
1480 1 49 HIS HD2 1 67 LEU QD . . 4.820 4.320 3.365 4.822 0.002 16 0 "[ . 1 . 2]" 1
1481 1 49 HIS HE1 1 60 ILE MD . . 5.500 5.446 5.161 5.499 . 0 0 "[ . 1 . 2]" 1
1482 1 49 HIS HE1 1 63 GLN HB3 . . 5.500 4.749 3.598 5.460 . 0 0 "[ . 1 . 2]" 1
1483 1 49 HIS HE1 1 64 GLU QG . . 5.340 3.451 2.073 4.673 . 0 0 "[ . 1 . 2]" 1
1484 1 49 HIS HE1 1 67 LEU QD . . 3.980 3.314 2.167 3.976 . 0 0 "[ . 1 . 2]" 1
1485 1 50 GLN H 1 50 GLN HB2 . . 3.300 2.085 2.061 2.146 . 0 0 "[ . 1 . 2]" 1
1486 1 50 GLN H 1 50 GLN QB . . 2.890 2.057 2.040 2.102 . 0 0 "[ . 1 . 2]" 1
1487 1 50 GLN H 1 50 GLN HB3 . . 3.300 3.165 3.003 3.300 . 0 0 "[ . 1 . 2]" 1
1488 1 50 GLN H 1 50 GLN HG2 . . 4.720 4.399 3.549 4.612 . 0 0 "[ . 1 . 2]" 1
1489 1 50 GLN H 1 50 GLN HG3 . . 4.720 4.077 3.546 4.506 . 0 0 "[ . 1 . 2]" 1
1490 1 50 GLN H 1 51 GLU H . . 3.410 2.684 2.559 2.907 . 0 0 "[ . 1 . 2]" 1
1491 1 50 GLN H 1 51 GLU QG . . 5.210 4.655 4.305 5.102 . 0 0 "[ . 1 . 2]" 1
1492 1 50 GLN H 1 52 LEU H . . 4.920 4.312 4.193 4.459 . 0 0 "[ . 1 . 2]" 1
1493 1 50 GLN HA 1 50 GLN QE . . 4.480 3.663 2.269 4.452 . 0 0 "[ . 1 . 2]" 1
1494 1 50 GLN HA 1 50 GLN HG2 . . 4.120 3.026 2.206 3.614 . 0 0 "[ . 1 . 2]" 1
1495 1 50 GLN HA 1 50 GLN HG3 . . 4.120 2.502 2.017 3.560 . 0 0 "[ . 1 . 2]" 1
1496 1 50 GLN HA 1 53 GLU H . . 4.260 3.752 3.545 3.891 . 0 0 "[ . 1 . 2]" 1
1497 1 50 GLN QB 1 50 GLN QE . . 3.910 3.243 2.209 3.745 . 0 0 "[ . 1 . 2]" 1
1498 1 50 GLN QB 1 51 GLU H . . 3.030 2.663 2.316 2.885 . 0 0 "[ . 1 . 2]" 1
1499 1 50 GLN HB2 1 51 GLU H . . 3.460 3.296 3.106 3.439 . 0 0 "[ . 1 . 2]" 1
1500 1 50 GLN HB3 1 51 GLU H . . 3.460 2.826 2.374 3.150 . 0 0 "[ . 1 . 2]" 1
1501 1 50 GLN QE 1 50 GLN QG . . 3.010 2.147 2.067 2.477 . 0 0 "[ . 1 . 2]" 1
1502 1 51 GLU H 1 51 GLU HB2 . . 3.770 2.331 2.195 2.469 . 0 0 "[ . 1 . 2]" 1
1503 1 51 GLU H 1 51 GLU QB . . 3.300 2.301 2.174 2.428 . 0 0 "[ . 1 . 2]" 1
1504 1 51 GLU H 1 51 GLU HB3 . . 3.770 3.558 3.499 3.595 . 0 0 "[ . 1 . 2]" 1
1505 1 51 GLU H 1 51 GLU HG2 . . 3.690 2.766 2.258 3.555 . 0 0 "[ . 1 . 2]" 1
1506 1 51 GLU H 1 51 GLU QG . . 3.040 2.595 2.232 2.887 . 0 0 "[ . 1 . 2]" 1
1507 1 51 GLU H 1 51 GLU HG3 . . 3.690 3.357 2.872 3.678 . 0 0 "[ . 1 . 2]" 1
1508 1 51 GLU H 1 52 LEU H . . 3.280 2.680 2.527 2.846 . 0 0 "[ . 1 . 2]" 1
1509 1 51 GLU H 1 53 GLU H . . 4.720 4.118 3.822 4.432 . 0 0 "[ . 1 . 2]" 1
1510 1 51 GLU HA 1 51 GLU HG2 . . 3.820 2.488 2.127 2.861 . 0 0 "[ . 1 . 2]" 1
1511 1 51 GLU HA 1 51 GLU QG . . 3.310 2.445 2.102 2.780 . 0 0 "[ . 1 . 2]" 1
1512 1 51 GLU HA 1 51 GLU HG3 . . 3.820 3.630 3.196 3.780 . 0 0 "[ . 1 . 2]" 1
1513 1 51 GLU HA 1 54 ASP H . . 3.890 3.502 3.404 3.648 . 0 0 "[ . 1 . 2]" 1
1514 1 51 GLU HA 1 54 ASP HB2 . . 3.750 3.190 2.760 3.423 . 0 0 "[ . 1 . 2]" 1
1515 1 51 GLU HA 1 54 ASP QB . . 3.190 2.949 2.686 3.115 . 0 0 "[ . 1 . 2]" 1
1516 1 51 GLU HA 1 54 ASP HB3 . . 3.750 3.532 3.120 3.750 . 0 0 "[ . 1 . 2]" 1
1517 1 51 GLU HA 1 55 LEU H . . 5.200 4.727 4.490 5.055 . 0 0 "[ . 1 . 2]" 1
1518 1 51 GLU HA 1 55 LEU QD . . 5.090 4.242 3.950 4.533 . 0 0 "[ . 1 . 2]" 1
1519 1 51 GLU QB 1 52 LEU H . . 3.110 2.447 2.327 2.591 . 0 0 "[ . 1 . 2]" 1
1520 1 51 GLU QB 1 55 LEU QD . . 3.850 3.214 2.933 3.546 . 0 0 "[ . 1 . 2]" 1
1521 1 51 GLU QG 1 55 LEU QD . . 5.280 4.879 4.609 5.165 . 0 0 "[ . 1 . 2]" 1
1522 1 51 GLU HG2 1 52 LEU H . . 5.000 4.570 4.266 4.851 . 0 0 "[ . 1 . 2]" 1
1523 1 51 GLU HG3 1 52 LEU H . . 5.000 4.690 4.489 4.866 . 0 0 "[ . 1 . 2]" 1
1524 1 52 LEU H 1 52 LEU HB2 . . 3.520 2.280 2.184 2.373 . 0 0 "[ . 1 . 2]" 1
1525 1 52 LEU H 1 52 LEU HB3 . . 3.780 3.540 3.496 3.568 . 0 0 "[ . 1 . 2]" 1
1526 1 52 LEU H 1 52 LEU MD1 . . 4.110 3.437 2.937 3.718 . 0 0 "[ . 1 . 2]" 1
1527 1 52 LEU H 1 52 LEU MD2 . . 4.110 3.884 3.429 4.107 . 0 0 "[ . 1 . 2]" 1
1528 1 52 LEU H 1 52 LEU HG . . 3.750 2.704 2.457 2.924 . 0 0 "[ . 1 . 2]" 1
1529 1 52 LEU H 1 53 GLU H . . 3.330 2.793 2.689 2.908 . 0 0 "[ . 1 . 2]" 1
1530 1 52 LEU H 1 53 GLU HB2 . . 5.500 4.705 4.510 4.934 . 0 0 "[ . 1 . 2]" 1
1531 1 52 LEU H 1 55 LEU QD . . 4.950 3.912 3.548 4.464 . 0 0 "[ . 1 . 2]" 1
1532 1 52 LEU HA 1 52 LEU QD . . 2.970 2.260 1.962 2.661 . 0 0 "[ . 1 . 2]" 1
1533 1 52 LEU HA 1 52 LEU HG . . 4.070 2.677 2.451 3.008 . 0 0 "[ . 1 . 2]" 1
1534 1 52 LEU HA 1 54 ASP H . . 4.650 4.207 3.942 4.450 . 0 0 "[ . 1 . 2]" 1
1535 1 52 LEU HA 1 55 LEU H . . 3.750 3.408 3.208 3.531 . 0 0 "[ . 1 . 2]" 1
1536 1 52 LEU HA 1 55 LEU HB2 . . 3.490 2.959 2.692 3.148 . 0 0 "[ . 1 . 2]" 1
1537 1 52 LEU HA 1 55 LEU HB3 . . 4.730 4.570 4.308 4.731 0.001 8 0 "[ . 1 . 2]" 1
1538 1 52 LEU HA 1 55 LEU MD1 . . 5.000 2.635 1.945 4.999 . 0 0 "[ . 1 . 2]" 1
1539 1 52 LEU HA 1 55 LEU QD . . 3.580 2.216 1.943 2.983 . 0 0 "[ . 1 . 2]" 1
1540 1 52 LEU HA 1 55 LEU MD2 . . 5.000 4.256 2.787 4.692 . 0 0 "[ . 1 . 2]" 1
1541 1 52 LEU HA 1 55 LEU HG . . 4.000 3.950 3.715 4.001 0.001 13 0 "[ . 1 . 2]" 1
1542 1 52 LEU HA 1 56 GLY H . . 4.850 4.656 4.472 4.790 . 0 0 "[ . 1 . 2]" 1
1543 1 52 LEU HA 1 57 VAL QG . . 4.020 3.276 3.068 3.524 . 0 0 "[ . 1 . 2]" 1
1544 1 52 LEU HB2 1 53 GLU H . . 3.380 2.701 2.514 2.958 . 0 0 "[ . 1 . 2]" 1
1545 1 52 LEU HB2 1 54 ASP H . . 5.330 5.061 4.899 5.287 . 0 0 "[ . 1 . 2]" 1
1546 1 52 LEU HB2 1 57 VAL MG1 . . 4.810 4.204 4.039 4.406 . 0 0 "[ . 1 . 2]" 1
1547 1 52 LEU HB2 1 57 VAL MG2 . . 4.810 4.451 4.297 4.642 . 0 0 "[ . 1 . 2]" 1
1548 1 52 LEU HB2 1 63 GLN QE . . 4.720 3.509 2.423 4.624 . 0 0 "[ . 1 . 2]" 1
1549 1 52 LEU HB2 1 63 GLN HG3 . . 5.000 4.659 4.296 4.976 . 0 0 "[ . 1 . 2]" 1
1550 1 52 LEU HB3 1 52 LEU MD1 . . 3.450 2.543 2.372 2.738 . 0 0 "[ . 1 . 2]" 1
1551 1 52 LEU HB3 1 52 LEU MD2 . . 3.450 2.218 2.037 2.355 . 0 0 "[ . 1 . 2]" 1
1552 1 52 LEU HB3 1 53 GLU H . . 4.230 3.346 3.081 3.530 . 0 0 "[ . 1 . 2]" 1
1553 1 52 LEU HB3 1 55 LEU QD . . 5.440 4.206 3.875 4.984 . 0 0 "[ . 1 . 2]" 1
1554 1 52 LEU HB3 1 57 VAL HB . . 3.730 2.090 1.999 2.326 . 0 0 "[ . 1 . 2]" 1
1555 1 52 LEU HB3 1 57 VAL MG1 . . 4.160 2.954 2.829 3.170 . 0 0 "[ . 1 . 2]" 1
1556 1 52 LEU HB3 1 57 VAL QG . . 3.630 2.641 2.538 2.755 . 0 0 "[ . 1 . 2]" 1
1557 1 52 LEU HB3 1 57 VAL MG2 . . 4.160 2.987 2.837 3.217 . 0 0 "[ . 1 . 2]" 1
1558 1 52 LEU HB3 1 63 GLN HA . . 5.000 3.970 3.625 4.283 . 0 0 "[ . 1 . 2]" 1
1559 1 52 LEU HB3 1 63 GLN QE . . 5.180 3.482 2.276 4.627 . 0 0 "[ . 1 . 2]" 1
1560 1 52 LEU HB3 1 63 GLN HG2 . . 3.870 2.418 2.149 2.671 . 0 0 "[ . 1 . 2]" 1
1561 1 52 LEU HB3 1 63 GLN HG3 . . 4.850 3.913 3.619 4.154 . 0 0 "[ . 1 . 2]" 1
1562 1 52 LEU QD 1 55 LEU H . . 5.040 4.769 4.441 5.039 . 0 0 "[ . 1 . 2]" 1
1563 1 52 LEU QD 1 55 LEU QD . . 3.540 2.734 2.187 3.539 . 0 0 "[ . 1 . 2]" 1
1564 1 52 LEU QD 1 57 VAL QG . . 3.120 2.047 1.709 2.371 . 0 0 "[ . 1 . 2]" 1
1565 1 52 LEU QD 1 63 GLN H . . 4.880 4.225 4.109 4.323 . 0 0 "[ . 1 . 2]" 1
1566 1 52 LEU QD 1 63 GLN HA . . 3.210 2.173 1.982 2.365 . 0 0 "[ . 1 . 2]" 1
1567 1 52 LEU QD 1 63 GLN HB2 . . 4.420 3.646 3.371 3.848 . 0 0 "[ . 1 . 2]" 1
1568 1 52 LEU QD 1 63 GLN HB3 . . 2.850 2.369 2.062 2.674 . 0 0 "[ . 1 . 2]" 1
1569 1 52 LEU QD 1 63 GLN QE . . 5.160 3.660 2.784 4.394 . 0 0 "[ . 1 . 2]" 1
1570 1 52 LEU QD 1 63 GLN HG2 . . 3.280 2.236 1.951 2.543 . 0 0 "[ . 1 . 2]" 1
1571 1 52 LEU QD 1 63 GLN HG3 . . 4.380 3.489 3.230 3.795 . 0 0 "[ . 1 . 2]" 1
1572 1 52 LEU QD 1 64 GLU HA . . 5.440 4.461 4.165 4.760 . 0 0 "[ . 1 . 2]" 1
1573 1 52 LEU QD 1 66 ILE H . . 4.410 4.141 3.983 4.259 . 0 0 "[ . 1 . 2]" 1
1574 1 52 LEU QD 1 66 ILE HB . . 3.390 2.869 2.709 3.069 . 0 0 "[ . 1 . 2]" 1
1575 1 52 LEU QD 1 66 ILE MD . . 3.060 2.019 1.871 2.208 . 0 0 "[ . 1 . 2]" 1
1576 1 52 LEU QD 1 67 LEU H . . 4.000 3.764 3.503 3.912 . 0 0 "[ . 1 . 2]" 1
1577 1 52 LEU QD 1 67 LEU HB3 . . 5.440 5.005 4.692 5.252 . 0 0 "[ . 1 . 2]" 1
1578 1 52 LEU QD 1 67 LEU QD . . 3.120 2.397 2.208 2.622 . 0 0 "[ . 1 . 2]" 1
1579 1 52 LEU QD 1 67 LEU HG . . 3.550 2.745 2.377 2.978 . 0 0 "[ . 1 . 2]" 1
1580 1 52 LEU QD 1 70 VAL QG . . 5.370 4.475 4.185 4.682 . 0 0 "[ . 1 . 2]" 1
1581 1 52 LEU MD1 1 53 GLU H . . 4.870 4.445 4.223 4.716 . 0 0 "[ . 1 . 2]" 1
1582 1 52 LEU MD1 1 57 VAL MG1 . . 4.580 3.258 2.888 3.647 . 0 0 "[ . 1 . 2]" 1
1583 1 52 LEU MD1 1 57 VAL MG2 . . 4.580 3.941 3.617 4.255 . 0 0 "[ . 1 . 2]" 1
1584 1 52 LEU MD1 1 63 GLN HA . . 4.470 2.292 1.993 2.740 . 0 0 "[ . 1 . 2]" 1
1585 1 52 LEU MD1 1 63 GLN HG2 . . 3.970 2.315 1.968 2.674 . 0 0 "[ . 1 . 2]" 1
1586 1 52 LEU MD1 1 63 GLN HG3 . . 5.440 3.691 3.384 3.963 . 0 0 "[ . 1 . 2]" 1
1587 1 52 LEU MD1 1 66 ILE HB . . 4.070 3.279 2.910 3.715 . 0 0 "[ . 1 . 2]" 1
1588 1 52 LEU MD1 1 67 LEU H . . 5.500 3.937 3.581 4.172 . 0 0 "[ . 1 . 2]" 1
1589 1 52 LEU MD2 1 53 GLU H . . 4.870 4.714 4.612 4.838 . 0 0 "[ . 1 . 2]" 1
1590 1 52 LEU MD2 1 57 VAL MG1 . . 4.580 2.748 2.061 3.276 . 0 0 "[ . 1 . 2]" 1
1591 1 52 LEU MD2 1 57 VAL MG2 . . 4.580 2.175 1.791 2.517 . 0 0 "[ . 1 . 2]" 1
1592 1 52 LEU MD2 1 63 GLN HA . . 4.470 3.031 2.284 3.634 . 0 0 "[ . 1 . 2]" 1
1593 1 52 LEU MD2 1 63 GLN HG2 . . 3.970 3.216 2.254 3.970 0.000 10 0 "[ . 1 . 2]" 1
1594 1 52 LEU MD2 1 63 GLN HG3 . . 5.440 4.407 3.690 5.025 . 0 0 "[ . 1 . 2]" 1
1595 1 52 LEU MD2 1 66 ILE HB . . 4.070 3.231 2.866 3.634 . 0 0 "[ . 1 . 2]" 1
1596 1 52 LEU MD2 1 67 LEU H . . 5.500 4.848 4.540 5.224 . 0 0 "[ . 1 . 2]" 1
1597 1 52 LEU HG 1 53 GLU H . . 4.860 4.698 4.553 4.818 . 0 0 "[ . 1 . 2]" 1
1598 1 52 LEU HG 1 63 GLN HA . . 5.000 4.973 4.810 5.001 0.001 8 0 "[ . 1 . 2]" 1
1599 1 53 GLU H 1 53 GLU HB2 . . 3.020 2.137 2.062 2.292 . 0 0 "[ . 1 . 2]" 1
1600 1 53 GLU H 1 53 GLU HB3 . . 3.490 3.045 2.780 3.252 . 0 0 "[ . 1 . 2]" 1
1601 1 53 GLU H 1 53 GLU HG2 . . 5.430 4.420 4.200 4.529 . 0 0 "[ . 1 . 2]" 1
1602 1 53 GLU H 1 53 GLU QG . . 4.690 3.680 3.425 3.889 . 0 0 "[ . 1 . 2]" 1
1603 1 53 GLU H 1 53 GLU HG3 . . 5.430 3.954 3.588 4.276 . 0 0 "[ . 1 . 2]" 1
1604 1 53 GLU H 1 54 ASP H . . 3.640 2.731 2.593 2.836 . 0 0 "[ . 1 . 2]" 1
1605 1 53 GLU H 1 55 LEU H . . 4.630 4.296 4.081 4.469 . 0 0 "[ . 1 . 2]" 1
1606 1 53 GLU H 1 63 GLN QE . . 4.920 3.754 3.055 4.558 . 0 0 "[ . 1 . 2]" 1
1607 1 53 GLU HA 1 53 GLU HG2 . . 4.250 2.516 2.132 2.920 . 0 0 "[ . 1 . 2]" 1
1608 1 53 GLU HA 1 53 GLU QG . . 3.620 2.230 2.089 2.380 . 0 0 "[ . 1 . 2]" 1
1609 1 53 GLU HA 1 53 GLU HG3 . . 4.250 2.618 2.140 3.217 . 0 0 "[ . 1 . 2]" 1
1610 1 53 GLU HA 1 55 LEU H . . 4.580 4.391 4.137 4.578 . 0 0 "[ . 1 . 2]" 1
1611 1 53 GLU HA 1 56 GLY H . . 3.930 3.432 3.261 3.551 . 0 0 "[ . 1 . 2]" 1
1612 1 53 GLU HA 1 57 VAL H . . 3.990 3.629 2.481 3.882 . 0 0 "[ . 1 . 2]" 1
1613 1 53 GLU HA 1 57 VAL HB . . 5.500 3.594 3.393 3.859 . 0 0 "[ . 1 . 2]" 1
1614 1 53 GLU HA 1 57 VAL QG . . 5.100 4.085 3.965 4.264 . 0 0 "[ . 1 . 2]" 1
1615 1 53 GLU HA 1 58 SER H . . 5.000 4.852 4.247 4.999 . 0 0 "[ . 1 . 2]" 1
1616 1 53 GLU HA 1 58 SER HA . . 4.210 3.638 3.443 3.825 . 0 0 "[ . 1 . 2]" 1
1617 1 53 GLU HA 1 63 GLN HE21 . . 4.850 4.041 3.102 4.851 0.001 18 0 "[ . 1 . 2]" 1
1618 1 53 GLU HA 1 63 GLN QE . . 4.260 3.656 2.986 4.203 . 0 0 "[ . 1 . 2]" 1
1619 1 53 GLU HA 1 63 GLN HE22 . . 4.850 4.310 3.810 4.609 . 0 0 "[ . 1 . 2]" 1
1620 1 53 GLU HB2 1 63 GLN QE . . 3.890 3.539 3.053 3.890 . 0 0 "[ . 1 . 2]" 1
1621 1 53 GLU HB3 1 54 ASP H . . 3.410 2.810 2.618 3.125 . 0 0 "[ . 1 . 2]" 1
1622 1 53 GLU HB3 1 54 ASP HA . . 4.320 3.915 3.788 4.096 . 0 0 "[ . 1 . 2]" 1
1623 1 53 GLU HB3 1 55 LEU H . . 5.400 5.145 4.963 5.325 . 0 0 "[ . 1 . 2]" 1
1624 1 53 GLU QG 1 54 ASP H . . 4.660 4.319 4.165 4.466 . 0 0 "[ . 1 . 2]" 1
1625 1 53 GLU QG 1 58 SER HA . . 4.020 2.918 2.407 3.221 . 0 0 "[ . 1 . 2]" 1
1626 1 53 GLU QG 1 63 GLN QE . . 4.000 3.080 2.395 3.628 . 0 0 "[ . 1 . 2]" 1
1627 1 53 GLU HG2 1 54 ASP H . . 5.500 4.655 4.383 4.946 . 0 0 "[ . 1 . 2]" 1
1628 1 53 GLU HG2 1 58 SER HA . . 4.600 3.579 3.100 4.113 . 0 0 "[ . 1 . 2]" 1
1629 1 53 GLU HG2 1 58 SER HB2 . . 5.500 5.040 4.060 5.498 . 0 0 "[ . 1 . 2]" 1
1630 1 53 GLU HG2 1 58 SER HB3 . . 5.500 4.736 3.527 5.499 . 0 0 "[ . 1 . 2]" 1
1631 1 53 GLU HG3 1 54 ASP H . . 5.500 5.136 4.954 5.304 . 0 0 "[ . 1 . 2]" 1
1632 1 53 GLU HG3 1 58 SER HA . . 4.600 3.158 2.473 3.794 . 0 0 "[ . 1 . 2]" 1
1633 1 53 GLU HG3 1 58 SER HB2 . . 5.500 5.126 4.084 5.500 . 0 0 "[ . 1 . 2]" 1
1634 1 53 GLU HG3 1 58 SER HB3 . . 5.500 5.017 4.070 5.500 0.000 2 0 "[ . 1 . 2]" 1
1635 1 54 ASP H 1 54 ASP HB2 . . 3.830 2.313 2.113 2.615 . 0 0 "[ . 1 . 2]" 1
1636 1 54 ASP H 1 54 ASP QB . . 3.180 2.193 2.078 2.270 . 0 0 "[ . 1 . 2]" 1
1637 1 54 ASP H 1 54 ASP HB3 . . 3.830 2.793 2.492 3.077 . 0 0 "[ . 1 . 2]" 1
1638 1 54 ASP H 1 55 LEU H . . 3.340 2.675 2.489 2.865 . 0 0 "[ . 1 . 2]" 1
1639 1 54 ASP H 1 56 GLY H . . 4.270 3.984 3.887 4.039 . 0 0 "[ . 1 . 2]" 1
1640 1 54 ASP HA 1 56 GLY H . . 4.310 4.048 3.892 4.186 . 0 0 "[ . 1 . 2]" 1
1641 1 54 ASP QB 1 55 LEU H . . 3.470 2.562 2.361 2.754 . 0 0 "[ . 1 . 2]" 1
1642 1 54 ASP HB2 1 55 LEU H . . 4.060 3.674 3.421 3.900 . 0 0 "[ . 1 . 2]" 1
1643 1 54 ASP HB3 1 55 LEU H . . 4.060 2.618 2.393 2.860 . 0 0 "[ . 1 . 2]" 1
1644 1 55 LEU H 1 55 LEU HB2 . . 3.060 2.374 2.193 2.511 . 0 0 "[ . 1 . 2]" 1
1645 1 55 LEU H 1 55 LEU HB3 . . 3.750 3.562 3.501 3.587 . 0 0 "[ . 1 . 2]" 1
1646 1 55 LEU H 1 55 LEU MD1 . . 4.140 3.157 2.807 3.965 . 0 0 "[ . 1 . 2]" 1
1647 1 55 LEU H 1 55 LEU QD . . 3.600 2.712 1.967 3.075 . 0 0 "[ . 1 . 2]" 1
1648 1 55 LEU H 1 55 LEU MD2 . . 4.140 3.564 1.973 4.071 . 0 0 "[ . 1 . 2]" 1
1649 1 55 LEU H 1 55 LEU HG . . 4.130 2.807 2.352 3.946 . 0 0 "[ . 1 . 2]" 1
1650 1 55 LEU H 1 56 GLY H . . 3.200 2.601 2.504 2.703 . 0 0 "[ . 1 . 2]" 1
1651 1 55 LEU H 1 57 VAL H . . 4.650 4.010 3.904 4.126 . 0 0 "[ . 1 . 2]" 1
1652 1 55 LEU H 1 57 VAL QG . . 4.710 4.401 4.238 4.521 . 0 0 "[ . 1 . 2]" 1
1653 1 55 LEU HA 1 55 LEU MD1 . . 4.320 3.506 2.037 3.882 . 0 0 "[ . 1 . 2]" 1
1654 1 55 LEU HA 1 55 LEU QD . . 3.010 2.553 1.944 2.774 . 0 0 "[ . 1 . 2]" 1
1655 1 55 LEU HA 1 55 LEU MD2 . . 4.320 2.695 2.395 2.843 . 0 0 "[ . 1 . 2]" 1
1656 1 55 LEU HA 1 55 LEU HG . . 3.770 2.845 2.581 3.703 . 0 0 "[ . 1 . 2]" 1
1657 1 55 LEU HB2 1 56 GLY H . . 4.260 2.944 2.830 3.010 . 0 0 "[ . 1 . 2]" 1
1658 1 55 LEU HB2 1 57 VAL H . . 4.870 3.096 2.887 3.789 . 0 0 "[ . 1 . 2]" 1
1659 1 55 LEU HB2 1 57 VAL QG . . 4.140 2.848 2.689 3.116 . 0 0 "[ . 1 . 2]" 1
1660 1 55 LEU HB3 1 55 LEU MD1 . . 3.550 2.626 2.180 2.771 . 0 0 "[ . 1 . 2]" 1
1661 1 55 LEU HB3 1 55 LEU QD . . 3.080 1.991 1.918 2.277 . 0 0 "[ . 1 . 2]" 1
1662 1 55 LEU HB3 1 55 LEU MD2 . . 3.550 2.218 1.959 3.195 . 0 0 "[ . 1 . 2]" 1
1663 1 55 LEU HB3 1 56 GLY H . . 4.600 3.778 3.553 3.897 . 0 0 "[ . 1 . 2]" 1
1664 1 55 LEU HB3 1 57 VAL QG . . 4.590 3.510 3.261 3.757 . 0 0 "[ . 1 . 2]" 1
1665 1 55 LEU MD1 1 56 GLY H . . 5.020 4.467 4.201 4.770 . 0 0 "[ . 1 . 2]" 1
1666 1 55 LEU MD2 1 56 GLY H . . 5.020 4.824 4.085 5.020 0.000 6 0 "[ . 1 . 2]" 1
1667 1 55 LEU HG 1 56 GLY H . . 5.290 4.752 4.534 5.291 0.001 9 0 "[ . 1 . 2]" 1
1668 1 55 LEU HG 1 57 VAL QG . . 5.100 4.853 4.254 5.039 . 0 0 "[ . 1 . 2]" 1
1669 1 56 GLY H 1 57 VAL H . . 3.140 2.157 1.899 2.227 . 0 0 "[ . 1 . 2]" 1
1670 1 56 GLY H 1 57 VAL HA . . 4.920 4.732 4.598 4.778 . 0 0 "[ . 1 . 2]" 1
1671 1 56 GLY H 1 57 VAL HB . . 4.990 4.264 4.186 4.325 . 0 0 "[ . 1 . 2]" 1
1672 1 56 GLY H 1 57 VAL QG . . 4.500 3.672 3.327 3.776 . 0 0 "[ . 1 . 2]" 1
1673 1 57 VAL H 1 57 VAL HB . . 3.750 2.666 2.648 2.717 . 0 0 "[ . 1 . 2]" 1
1674 1 57 VAL H 1 57 VAL MG1 . . 4.590 3.772 3.757 3.884 . 0 0 "[ . 1 . 2]" 1
1675 1 57 VAL H 1 57 VAL QG . . 3.360 2.147 1.942 2.693 . 0 0 "[ . 1 . 2]" 1
1676 1 57 VAL H 1 57 VAL MG2 . . 4.590 2.161 1.948 2.748 . 0 0 "[ . 1 . 2]" 1
1677 1 57 VAL H 1 58 SER H . . 5.080 4.177 3.663 4.288 . 0 0 "[ . 1 . 2]" 1
1678 1 57 VAL HA 1 57 VAL MG1 . . 3.550 2.364 2.309 2.390 . 0 0 "[ . 1 . 2]" 1
1679 1 57 VAL HA 1 57 VAL QG . . 3.070 2.123 2.099 2.139 . 0 0 "[ . 1 . 2]" 1
1680 1 57 VAL HA 1 57 VAL MG2 . . 3.550 2.404 2.373 2.422 . 0 0 "[ . 1 . 2]" 1
1681 1 57 VAL HA 1 58 SER H . . 3.380 2.227 2.190 2.350 . 0 0 "[ . 1 . 2]" 1
1682 1 57 VAL HA 1 59 ARG H . . 4.530 3.616 3.401 4.074 . 0 0 "[ . 1 . 2]" 1
1683 1 57 VAL HA 1 62 HIS HD1 . . 4.980 4.699 4.238 4.981 0.001 2 0 "[ . 1 . 2]" 1
1684 1 57 VAL HB 1 58 SER H . . 5.080 4.403 4.373 4.452 . 0 0 "[ . 1 . 2]" 1
1685 1 57 VAL HB 1 63 GLN HA . . 4.890 4.434 4.024 4.744 . 0 0 "[ . 1 . 2]" 1
1686 1 57 VAL QG 1 58 SER H . . 3.720 3.240 3.154 3.453 . 0 0 "[ . 1 . 2]" 1
1687 1 57 VAL QG 1 58 SER HA . . 4.960 4.001 3.855 4.111 . 0 0 "[ . 1 . 2]" 1
1688 1 57 VAL QG 1 59 ARG H . . 3.920 3.019 2.176 3.448 . 0 0 "[ . 1 . 2]" 1
1689 1 57 VAL QG 1 59 ARG QB . . 4.280 3.232 2.905 3.514 . 0 0 "[ . 1 . 2]" 1
1690 1 57 VAL QG 1 62 HIS H . . 5.280 4.156 3.882 4.365 . 0 0 "[ . 1 . 2]" 1
1691 1 57 VAL QG 1 62 HIS HA . . 4.960 4.422 4.016 4.594 . 0 0 "[ . 1 . 2]" 1
1692 1 57 VAL QG 1 62 HIS HB2 . . 3.600 2.483 2.192 2.731 . 0 0 "[ . 1 . 2]" 1
1693 1 57 VAL QG 1 62 HIS HB3 . . 3.570 2.919 2.382 3.169 . 0 0 "[ . 1 . 2]" 1
1694 1 57 VAL QG 1 62 HIS HD1 . . 4.590 3.488 3.168 3.739 . 0 0 "[ . 1 . 2]" 1
1695 1 57 VAL QG 1 63 GLN H . . 3.950 2.982 2.656 3.218 . 0 0 "[ . 1 . 2]" 1
1696 1 57 VAL QG 1 63 GLN HA . . 3.450 2.431 2.085 2.631 . 0 0 "[ . 1 . 2]" 1
1697 1 57 VAL QG 1 63 GLN HB2 . . 5.060 3.708 3.496 3.909 . 0 0 "[ . 1 . 2]" 1
1698 1 57 VAL QG 1 63 GLN HB3 . . 4.420 3.807 3.604 3.998 . 0 0 "[ . 1 . 2]" 1
1699 1 57 VAL QG 1 63 GLN QE . . 4.820 3.086 2.932 3.386 . 0 0 "[ . 1 . 2]" 1
1700 1 57 VAL QG 1 63 GLN HG2 . . 3.540 2.123 1.941 2.464 . 0 0 "[ . 1 . 2]" 1
1701 1 57 VAL QG 1 63 GLN HG3 . . 3.590 1.917 1.882 1.966 . 0 0 "[ . 1 . 2]" 1
1702 1 57 VAL QG 1 66 ILE QG . . 5.280 3.946 3.432 4.152 . 0 0 "[ . 1 . 2]" 1
1703 1 57 VAL MG1 1 58 SER H . . 4.430 3.355 3.249 3.636 . 0 0 "[ . 1 . 2]" 1
1704 1 57 VAL MG1 1 63 GLN HA . . 4.600 2.450 2.094 2.650 . 0 0 "[ . 1 . 2]" 1
1705 1 57 VAL MG1 1 63 GLN HG2 . . 4.620 2.132 1.948 2.480 . 0 0 "[ . 1 . 2]" 1
1706 1 57 VAL MG1 1 66 ILE MD . . 3.320 3.174 2.861 3.314 . 0 0 "[ . 1 . 2]" 1
1707 1 57 VAL MG2 1 58 SER H . . 4.430 4.285 4.267 4.304 . 0 0 "[ . 1 . 2]" 1
1708 1 57 VAL MG2 1 63 GLN HA . . 4.600 4.111 3.847 4.456 . 0 0 "[ . 1 . 2]" 1
1709 1 57 VAL MG2 1 63 GLN HG2 . . 4.620 3.905 3.624 4.233 . 0 0 "[ . 1 . 2]" 1
1710 1 57 VAL MG2 1 66 ILE MD . . 3.320 2.752 2.003 3.089 . 0 0 "[ . 1 . 2]" 1
1711 1 58 SER H 1 58 SER HB2 . . 3.620 3.272 2.188 3.621 0.001 5 0 "[ . 1 . 2]" 1
1712 1 58 SER H 1 58 SER QB . . 3.160 2.619 2.162 3.007 . 0 0 "[ . 1 . 2]" 1
1713 1 58 SER H 1 58 SER HB3 . . 3.620 2.944 2.314 3.380 . 0 0 "[ . 1 . 2]" 1
1714 1 58 SER H 1 59 ARG H . . 3.370 2.429 2.185 3.293 . 0 0 "[ . 1 . 2]" 1
1715 1 58 SER HA 1 63 GLN HE21 . . 4.360 3.865 3.296 4.298 . 0 0 "[ . 1 . 2]" 1
1716 1 58 SER HA 1 63 GLN QE . . 3.810 3.516 3.125 3.755 . 0 0 "[ . 1 . 2]" 1
1717 1 58 SER HA 1 63 GLN HE22 . . 4.360 4.102 3.722 4.360 . 18 0 "[ . 1 . 2]" 1
1718 1 58 SER QB 1 59 ARG H . . 4.070 3.394 2.798 4.013 . 0 0 "[ . 1 . 2]" 1
1719 1 58 SER HB2 1 59 ARG H . . 4.720 3.801 3.198 4.497 . 0 0 "[ . 1 . 2]" 1
1720 1 58 SER HB3 1 59 ARG H . . 4.720 3.904 2.894 4.665 . 0 0 "[ . 1 . 2]" 1
1721 1 59 ARG H 1 59 ARG HB2 . . 4.160 2.194 2.060 2.762 . 0 0 "[ . 1 . 2]" 1
1722 1 59 ARG H 1 59 ARG QB . . 3.440 2.166 2.040 2.664 . 0 0 "[ . 1 . 2]" 1
1723 1 59 ARG H 1 59 ARG HB3 . . 4.160 3.415 3.272 3.553 . 0 0 "[ . 1 . 2]" 1
1724 1 59 ARG H 1 59 ARG HG2 . . 4.910 3.983 2.974 4.905 . 0 0 "[ . 1 . 2]" 1
1725 1 59 ARG H 1 59 ARG QG . . 4.070 3.498 2.873 4.069 . 0 0 "[ . 1 . 2]" 1
1726 1 59 ARG H 1 59 ARG HG3 . . 4.910 3.969 3.577 4.859 . 0 0 "[ . 1 . 2]" 1
1727 1 59 ARG H 1 62 HIS HB2 . . 4.600 4.295 3.815 4.592 . 0 0 "[ . 1 . 2]" 1
1728 1 59 ARG HA 1 60 ILE MD . . 4.620 4.027 3.840 4.158 . 0 0 "[ . 1 . 2]" 1
1729 1 59 ARG HA 1 61 GLY H . . 4.660 4.529 4.303 4.660 0.000 6 0 "[ . 1 . 2]" 1
1730 1 59 ARG QB 1 62 HIS HB2 . . 4.160 2.649 2.224 3.045 . 0 0 "[ . 1 . 2]" 1
1731 1 59 ARG QB 1 62 HIS HB3 . . 4.460 3.955 3.581 4.314 . 0 0 "[ . 1 . 2]" 1
1732 1 59 ARG QB 1 62 HIS HD1 . . 4.100 1.982 1.907 2.122 . 0 0 "[ . 1 . 2]" 1
1733 1 59 ARG HB2 1 62 HIS HB2 . . 4.850 3.043 2.422 3.738 . 0 0 "[ . 1 . 2]" 1
1734 1 59 ARG HB2 1 62 HIS HD1 . . 4.670 2.025 1.950 2.175 . 0 0 "[ . 1 . 2]" 1
1735 1 59 ARG HB2 1 62 HIS HD2 . . 5.500 5.424 5.216 5.500 . 0 0 "[ . 1 . 2]" 1
1736 1 59 ARG HB3 1 62 HIS HB2 . . 4.850 2.944 2.449 3.469 . 0 0 "[ . 1 . 2]" 1
1737 1 59 ARG HB3 1 62 HIS HD1 . . 4.670 2.828 2.604 3.069 . 0 0 "[ . 1 . 2]" 1
1738 1 59 ARG HB3 1 62 HIS HD2 . . 5.500 4.710 4.399 5.018 . 0 0 "[ . 1 . 2]" 1
1739 1 59 ARG QD 1 62 HIS HE1 . . 4.070 2.993 2.244 3.733 . 0 0 "[ . 1 . 2]" 1
1740 1 59 ARG HD2 1 62 HIS HE1 . . 4.720 3.717 2.489 4.563 . 0 0 "[ . 1 . 2]" 1
1741 1 59 ARG HD3 1 62 HIS HE1 . . 4.720 3.620 2.257 4.683 . 0 0 "[ . 1 . 2]" 1
1742 1 59 ARG QG 1 62 HIS HD1 . . 4.200 2.945 2.026 3.634 . 0 0 "[ . 1 . 2]" 1
1743 1 59 ARG HG2 1 62 HIS HD1 . . 5.000 3.680 2.655 4.542 . 0 0 "[ . 1 . 2]" 1
1744 1 59 ARG HG3 1 62 HIS HD1 . . 5.000 3.560 2.039 4.708 . 0 0 "[ . 1 . 2]" 1
1745 1 60 ILE H 1 60 ILE MG . . 4.160 3.820 3.795 3.851 . 0 0 "[ . 1 . 2]" 1
1746 1 60 ILE H 1 62 HIS HD1 . . 5.500 5.351 5.197 5.500 0.000 8 0 "[ . 1 . 2]" 1
1747 1 60 ILE HA 1 60 ILE MD . . 3.970 2.039 1.966 2.150 . 0 0 "[ . 1 . 2]" 1
1748 1 60 ILE HA 1 60 ILE MG . . 3.630 2.308 2.254 2.373 . 0 0 "[ . 1 . 2]" 1
1749 1 60 ILE HA 1 63 GLN H . . 4.320 3.381 3.202 3.641 . 0 0 "[ . 1 . 2]" 1
1750 1 60 ILE HA 1 63 GLN HB2 . . 3.850 2.716 2.413 2.948 . 0 0 "[ . 1 . 2]" 1
1751 1 60 ILE HA 1 63 GLN HB3 . . 4.680 4.331 4.017 4.581 . 0 0 "[ . 1 . 2]" 1
1752 1 60 ILE HA 1 63 GLN HG2 . . 5.500 4.932 4.660 5.445 . 0 0 "[ . 1 . 2]" 1
1753 1 60 ILE HA 1 63 GLN HG3 . . 4.210 3.571 3.198 4.048 . 0 0 "[ . 1 . 2]" 1
1754 1 60 ILE HA 1 64 GLU H . . 4.790 4.361 4.241 4.516 . 0 0 "[ . 1 . 2]" 1
1755 1 60 ILE HA 1 64 GLU HB2 . . 5.500 5.478 5.339 5.501 0.001 20 0 "[ . 1 . 2]" 1
1756 1 60 ILE HB 1 60 ILE MD . . 3.260 3.223 3.215 3.231 . 0 0 "[ . 1 . 2]" 1
1757 1 60 ILE HB 1 61 GLY H . . 4.320 2.488 2.319 2.695 . 0 0 "[ . 1 . 2]" 1
1758 1 60 ILE MD 1 63 GLN HB2 . . 4.620 3.749 3.400 4.019 . 0 0 "[ . 1 . 2]" 1
1759 1 60 ILE MD 1 63 GLN QE . . 5.050 3.260 2.206 3.973 . 0 0 "[ . 1 . 2]" 1
1760 1 60 ILE MD 1 63 GLN HG3 . . 4.620 4.241 3.779 4.578 . 0 0 "[ . 1 . 2]" 1
1761 1 60 ILE MD 1 64 GLU QG . . 5.340 4.913 4.547 5.302 . 0 0 "[ . 1 . 2]" 1
1762 1 60 ILE QG 1 61 GLY H . . 5.050 3.909 3.840 3.980 . 0 0 "[ . 1 . 2]" 1
1763 1 60 ILE MG 1 63 GLN HB2 . . 4.850 3.601 3.266 4.190 . 0 0 "[ . 1 . 2]" 1
1764 1 60 ILE MG 1 64 GLU H . . 4.920 4.155 3.935 4.614 . 0 0 "[ . 1 . 2]" 1
1765 1 60 ILE MG 1 64 GLU HG2 . . 4.260 4.075 3.555 4.261 0.001 20 0 "[ . 1 . 2]" 1
1766 1 60 ILE MG 1 64 GLU QG . . 3.730 3.124 2.885 3.458 . 0 0 "[ . 1 . 2]" 1
1767 1 60 ILE MG 1 64 GLU HG3 . . 4.260 3.265 2.934 3.700 . 0 0 "[ . 1 . 2]" 1
1768 1 62 HIS HA 1 62 HIS HD1 . . 4.930 4.726 4.678 4.757 . 0 0 "[ . 1 . 2]" 1
1769 1 62 HIS HA 1 62 HIS HD2 . . 3.300 2.465 2.313 2.566 . 0 0 "[ . 1 . 2]" 1
1770 1 62 HIS HA 1 65 LEU H . . 3.750 3.149 2.998 3.371 . 0 0 "[ . 1 . 2]" 1
1771 1 62 HIS HA 1 65 LEU HB2 . . 4.450 2.169 2.046 2.474 . 0 0 "[ . 1 . 2]" 1
1772 1 62 HIS HA 1 65 LEU QB . . 3.730 2.154 2.035 2.451 . 0 0 "[ . 1 . 2]" 1
1773 1 62 HIS HA 1 65 LEU HB3 . . 4.450 3.696 3.502 3.998 . 0 0 "[ . 1 . 2]" 1
1774 1 62 HIS HA 1 65 LEU MD1 . . 3.820 2.158 1.963 2.448 . 0 0 "[ . 1 . 2]" 1
1775 1 62 HIS HA 1 65 LEU HG . . 4.720 3.592 3.332 3.867 . 0 0 "[ . 1 . 2]" 1
1776 1 62 HIS HA 1 66 ILE H . . 5.030 4.361 4.157 4.632 . 0 0 "[ . 1 . 2]" 1
1777 1 62 HIS HB2 1 62 HIS HE1 . . 5.190 4.757 4.740 4.777 . 0 0 "[ . 1 . 2]" 1
1778 1 62 HIS HB2 1 63 GLN H . . 4.030 2.584 2.457 2.742 . 0 0 "[ . 1 . 2]" 1
1779 1 62 HIS HB3 1 63 GLN H . . 4.290 3.694 3.548 3.881 . 0 0 "[ . 1 . 2]" 1
1780 1 62 HIS HB3 1 65 LEU QB . . 5.340 3.864 3.721 4.119 . 0 0 "[ . 1 . 2]" 1
1781 1 62 HIS HB3 1 65 LEU MD1 . . 5.500 3.767 3.503 4.008 . 0 0 "[ . 1 . 2]" 1
1782 1 62 HIS HB3 1 66 ILE MD . . 4.850 4.010 3.294 4.361 . 0 0 "[ . 1 . 2]" 1
1783 1 62 HIS HD2 1 65 LEU H . . 5.500 5.364 5.263 5.486 . 0 0 "[ . 1 . 2]" 1
1784 1 62 HIS HD2 1 65 LEU HB2 . . 5.500 4.110 3.907 4.292 . 0 0 "[ . 1 . 2]" 1
1785 1 62 HIS HD2 1 65 LEU QB . . 4.640 3.956 3.749 4.133 . 0 0 "[ . 1 . 2]" 1
1786 1 62 HIS HD2 1 65 LEU HB3 . . 5.500 5.155 4.829 5.393 . 0 0 "[ . 1 . 2]" 1
1787 1 62 HIS HD2 1 65 LEU MD1 . . 3.500 2.268 1.999 2.507 . 0 0 "[ . 1 . 2]" 1
1788 1 62 HIS HD2 1 65 LEU MD2 . . 5.200 4.914 4.759 5.087 . 0 0 "[ . 1 . 2]" 1
1789 1 62 HIS HD2 1 65 LEU HG . . 5.190 4.477 4.078 4.772 . 0 0 "[ . 1 . 2]" 1
1790 1 63 GLN H 1 63 GLN HB2 . . 3.670 2.346 2.199 2.491 . 0 0 "[ . 1 . 2]" 1
1791 1 63 GLN H 1 63 GLN HB3 . . 3.970 3.561 3.503 3.589 . 0 0 "[ . 1 . 2]" 1
1792 1 63 GLN H 1 63 GLN HG2 . . 3.820 3.621 3.454 3.795 . 0 0 "[ . 1 . 2]" 1
1793 1 63 GLN H 1 63 GLN HG3 . . 3.650 2.507 2.179 2.863 . 0 0 "[ . 1 . 2]" 1
1794 1 63 GLN H 1 64 GLU H . . 3.620 2.726 2.637 2.825 . 0 0 "[ . 1 . 2]" 1
1795 1 63 GLN H 1 65 LEU H . . 4.650 4.024 3.948 4.093 . 0 0 "[ . 1 . 2]" 1
1796 1 63 GLN HA 1 63 GLN HG2 . . 3.580 2.431 2.234 2.626 . 0 0 "[ . 1 . 2]" 1
1797 1 63 GLN HA 1 63 GLN HG3 . . 3.820 2.939 2.762 3.118 . 0 0 "[ . 1 . 2]" 1
1798 1 63 GLN HA 1 64 GLU HA . . 4.850 4.685 4.638 4.742 . 0 0 "[ . 1 . 2]" 1
1799 1 63 GLN HA 1 66 ILE H . . 4.220 4.000 3.824 4.208 . 0 0 "[ . 1 . 2]" 1
1800 1 63 GLN HA 1 66 ILE HB . . 4.580 3.997 3.742 4.228 . 0 0 "[ . 1 . 2]" 1
1801 1 63 GLN HA 1 66 ILE MD . . 3.970 3.218 2.600 3.496 . 0 0 "[ . 1 . 2]" 1
1802 1 63 GLN HA 1 67 LEU H . . 5.310 4.668 4.480 4.918 . 0 0 "[ . 1 . 2]" 1
1803 1 63 GLN HA 1 67 LEU QD . . 5.220 4.025 3.777 4.269 . 0 0 "[ . 1 . 2]" 1
1804 1 63 GLN HB2 1 64 GLU H . . 3.750 2.832 2.539 3.063 . 0 0 "[ . 1 . 2]" 1
1805 1 63 GLN HB3 1 64 GLU H . . 4.030 3.587 3.395 3.722 . 0 0 "[ . 1 . 2]" 1
1806 1 63 GLN HB3 1 67 LEU QD . . 4.490 3.078 2.795 3.426 . 0 0 "[ . 1 . 2]" 1
1807 1 64 GLU H 1 64 GLU HB2 . . 3.220 2.250 2.149 2.437 . 0 0 "[ . 1 . 2]" 1
1808 1 64 GLU H 1 64 GLU HG2 . . 3.710 3.261 2.698 3.581 . 0 0 "[ . 1 . 2]" 1
1809 1 64 GLU H 1 64 GLU HG3 . . 3.710 3.438 2.397 3.710 . 0 0 "[ . 1 . 2]" 1
1810 1 64 GLU H 1 65 LEU H . . 3.490 2.372 2.232 2.565 . 0 0 "[ . 1 . 2]" 1
1811 1 64 GLU H 1 67 LEU QD . . 5.150 4.033 3.701 4.289 . 0 0 "[ . 1 . 2]" 1
1812 1 64 GLU HA 1 64 GLU HG2 . . 4.040 2.307 2.138 2.590 . 0 0 "[ . 1 . 2]" 1
1813 1 64 GLU HA 1 64 GLU QG . . 3.400 2.274 2.116 2.544 . 0 0 "[ . 1 . 2]" 1
1814 1 64 GLU HA 1 64 GLU HG3 . . 4.040 3.506 3.054 3.733 . 0 0 "[ . 1 . 2]" 1
1815 1 64 GLU HA 1 66 ILE H . . 4.810 4.311 4.104 4.565 . 0 0 "[ . 1 . 2]" 1
1816 1 64 GLU HA 1 67 LEU H . . 3.970 3.371 3.190 3.506 . 0 0 "[ . 1 . 2]" 1
1817 1 64 GLU HA 1 67 LEU HB2 . . 3.490 2.574 2.470 2.638 . 0 0 "[ . 1 . 2]" 1
1818 1 64 GLU HA 1 67 LEU HB3 . . 4.210 4.191 4.055 4.211 0.001 3 0 "[ . 1 . 2]" 1
1819 1 64 GLU HA 1 67 LEU MD1 . . 4.850 2.193 2.012 2.766 . 0 0 "[ . 1 . 2]" 1
1820 1 64 GLU HA 1 67 LEU QD . . 3.520 2.188 2.009 2.750 . 0 0 "[ . 1 . 2]" 1
1821 1 64 GLU HA 1 67 LEU MD2 . . 4.850 4.533 4.304 4.820 . 0 0 "[ . 1 . 2]" 1
1822 1 64 GLU HA 1 67 LEU HG . . 4.590 3.425 3.068 3.735 . 0 0 "[ . 1 . 2]" 1
1823 1 64 GLU HA 1 68 GLU H . . 4.320 3.694 3.414 3.944 . 0 0 "[ . 1 . 2]" 1
1824 1 64 GLU HB2 1 65 LEU H . . 3.610 2.989 2.890 3.064 . 0 0 "[ . 1 . 2]" 1
1825 1 64 GLU HB2 1 67 LEU QD . . 5.230 4.528 4.316 4.968 . 0 0 "[ . 1 . 2]" 1
1826 1 64 GLU HB3 1 67 LEU QD . . 5.060 4.168 3.751 4.732 . 0 0 "[ . 1 . 2]" 1
1827 1 64 GLU QG 1 65 LEU H . . 4.950 4.365 4.168 4.441 . 0 0 "[ . 1 . 2]" 1
1828 1 65 LEU H 1 65 LEU HB2 . . 3.610 2.116 2.066 2.182 . 0 0 "[ . 1 . 2]" 1
1829 1 65 LEU H 1 65 LEU QB . . 2.890 2.097 2.048 2.161 . 0 0 "[ . 1 . 2]" 1
1830 1 65 LEU H 1 65 LEU HB3 . . 3.610 3.434 3.366 3.494 . 0 0 "[ . 1 . 2]" 1
1831 1 65 LEU H 1 65 LEU MD1 . . 4.180 3.695 3.513 3.837 . 0 0 "[ . 1 . 2]" 1
1832 1 65 LEU H 1 65 LEU MD2 . . 4.380 4.075 3.937 4.258 . 0 0 "[ . 1 . 2]" 1
1833 1 65 LEU H 1 65 LEU HG . . 3.440 3.142 2.933 3.385 . 0 0 "[ . 1 . 2]" 1
1834 1 65 LEU H 1 66 ILE H . . 3.420 2.794 2.709 2.947 . 0 0 "[ . 1 . 2]" 1
1835 1 65 LEU HA 1 65 LEU MD1 . . 3.960 3.786 3.732 3.812 . 0 0 "[ . 1 . 2]" 1
1836 1 65 LEU HA 1 65 LEU MD2 . . 2.890 2.203 1.997 2.483 . 0 0 "[ . 1 . 2]" 1
1837 1 65 LEU HA 1 65 LEU HG . . 4.160 2.570 2.375 2.701 . 0 0 "[ . 1 . 2]" 1
1838 1 65 LEU HA 1 68 GLU H . . 4.260 3.899 3.702 4.114 . 0 0 "[ . 1 . 2]" 1
1839 1 65 LEU HA 1 68 GLU QB . . 4.000 3.002 2.831 3.160 . 0 0 "[ . 1 . 2]" 1
1840 1 65 LEU HA 1 69 ALA MB . . 5.500 5.016 4.843 5.222 . 0 0 "[ . 1 . 2]" 1
1841 1 65 LEU QB 1 65 LEU MD2 . . 3.090 2.215 2.075 2.333 . 0 0 "[ . 1 . 2]" 1
1842 1 65 LEU QB 1 66 ILE H . . 3.240 2.601 2.429 2.720 . 0 0 "[ . 1 . 2]" 1
1843 1 65 LEU HB2 1 65 LEU MD1 . . 3.440 2.183 2.041 2.338 . 0 0 "[ . 1 . 2]" 1
1844 1 65 LEU HB2 1 66 ILE H . . 3.820 2.840 2.672 2.976 . 0 0 "[ . 1 . 2]" 1
1845 1 65 LEU HB3 1 65 LEU MD1 . . 3.440 2.477 2.353 2.607 . 0 0 "[ . 1 . 2]" 1
1846 1 65 LEU HB3 1 66 ILE H . . 3.820 3.029 2.791 3.309 . 0 0 "[ . 1 . 2]" 1
1847 1 65 LEU MD1 1 66 ILE H . . 5.500 4.528 4.335 4.651 . 0 0 "[ . 1 . 2]" 1
1848 1 65 LEU MD2 1 66 ILE H . . 5.470 4.519 4.343 4.721 . 0 0 "[ . 1 . 2]" 1
1849 1 65 LEU MD2 1 68 GLU H . . 5.500 5.333 5.061 5.486 . 0 0 "[ . 1 . 2]" 1
1850 1 65 LEU HG 1 66 ILE H . . 5.310 4.877 4.793 4.954 . 0 0 "[ . 1 . 2]" 1
1851 1 66 ILE H 1 66 ILE HB . . 3.160 2.579 2.537 2.628 . 0 0 "[ . 1 . 2]" 1
1852 1 66 ILE H 1 66 ILE MD . . 4.070 3.429 2.588 3.543 . 0 0 "[ . 1 . 2]" 1
1853 1 66 ILE H 1 66 ILE QG . . 3.430 2.033 1.935 2.209 . 0 0 "[ . 1 . 2]" 1
1854 1 66 ILE H 1 66 ILE MG . . 4.040 3.769 3.763 3.777 . 0 0 "[ . 1 . 2]" 1
1855 1 66 ILE H 1 67 LEU H . . 3.370 2.664 2.556 2.843 . 0 0 "[ . 1 . 2]" 1
1856 1 66 ILE H 1 67 LEU MD1 . . 5.500 4.920 4.779 5.192 . 0 0 "[ . 1 . 2]" 1
1857 1 66 ILE H 1 67 LEU MD2 . . 5.500 5.490 5.414 5.501 0.001 11 0 "[ . 1 . 2]" 1
1858 1 66 ILE H 1 68 GLU H . . 4.680 4.211 4.110 4.335 . 0 0 "[ . 1 . 2]" 1
1859 1 66 ILE HA 1 66 ILE MD . . 4.000 3.868 3.788 3.881 . 0 0 "[ . 1 . 2]" 1
1860 1 66 ILE HA 1 66 ILE HG12 . . 3.480 2.653 2.593 3.169 . 0 0 "[ . 1 . 2]" 1
1861 1 66 ILE HA 1 66 ILE QG . . 3.040 2.465 2.403 2.481 . 0 0 "[ . 1 . 2]" 1
1862 1 66 ILE HA 1 66 ILE HG13 . . 3.480 2.978 2.489 3.110 . 0 0 "[ . 1 . 2]" 1
1863 1 66 ILE HA 1 66 ILE MG . . 3.280 2.307 2.261 2.373 . 0 0 "[ . 1 . 2]" 1
1864 1 66 ILE HA 1 67 LEU HG . . 5.500 5.423 5.356 5.495 . 0 0 "[ . 1 . 2]" 1
1865 1 66 ILE HA 1 69 ALA H . . 4.050 3.579 3.501 3.679 . 0 0 "[ . 1 . 2]" 1
1866 1 66 ILE HA 1 69 ALA MB . . 3.370 2.970 2.844 3.178 . 0 0 "[ . 1 . 2]" 1
1867 1 66 ILE HA 1 70 VAL H . . 5.000 4.492 4.285 4.719 . 0 0 "[ . 1 . 2]" 1
1868 1 66 ILE HB 1 66 ILE MD . . 3.230 2.345 1.996 2.447 . 0 0 "[ . 1 . 2]" 1
1869 1 66 ILE HB 1 67 LEU H . . 3.490 2.428 2.286 2.570 . 0 0 "[ . 1 . 2]" 1
1870 1 66 ILE HB 1 67 LEU QD . . 4.590 3.831 3.726 3.900 . 0 0 "[ . 1 . 2]" 1
1871 1 66 ILE HB 1 67 LEU HG . . 4.620 3.266 3.184 3.360 . 0 0 "[ . 1 . 2]" 1
1872 1 66 ILE HB 1 68 GLU H . . 5.200 5.048 4.977 5.172 . 0 0 "[ . 1 . 2]" 1
1873 1 66 ILE MD 1 66 ILE MG . . 2.960 2.101 1.944 2.800 . 0 0 "[ . 1 . 2]" 1
1874 1 66 ILE MD 1 67 LEU HG . . 5.450 4.700 4.130 4.830 . 0 0 "[ . 1 . 2]" 1
1875 1 66 ILE QG 1 66 ILE MG . . 2.930 2.236 2.016 2.321 . 0 0 "[ . 1 . 2]" 1
1876 1 66 ILE QG 1 67 LEU H . . 5.050 3.895 3.788 4.086 . 0 0 "[ . 1 . 2]" 1
1877 1 66 ILE MG 1 67 LEU H . . 4.010 3.425 3.304 3.575 . 0 0 "[ . 1 . 2]" 1
1878 1 66 ILE MG 1 67 LEU HA . . 3.970 3.587 3.392 3.732 . 0 0 "[ . 1 . 2]" 1
1879 1 66 ILE MG 1 67 LEU QD . . 3.980 3.709 3.475 3.879 . 0 0 "[ . 1 . 2]" 1
1880 1 66 ILE MG 1 67 LEU HG . . 4.750 4.043 3.922 4.217 . 0 0 "[ . 1 . 2]" 1
1881 1 66 ILE MG 1 69 ALA H . . 4.700 4.355 4.195 4.466 . 0 0 "[ . 1 . 2]" 1
1882 1 66 ILE MG 1 69 ALA MB . . 3.930 3.397 3.244 3.571 . 0 0 "[ . 1 . 2]" 1
1883 1 66 ILE MG 1 70 VAL H . . 4.450 3.965 3.681 4.194 . 0 0 "[ . 1 . 2]" 1
1884 1 67 LEU H 1 67 LEU HB2 . . 3.300 2.553 2.476 2.623 . 0 0 "[ . 1 . 2]" 1
1885 1 67 LEU H 1 67 LEU HB3 . . 3.710 3.585 3.583 3.587 . 0 0 "[ . 1 . 2]" 1
1886 1 67 LEU H 1 67 LEU MD1 . . 4.110 3.362 3.259 3.485 . 0 0 "[ . 1 . 2]" 1
1887 1 67 LEU H 1 67 LEU MD2 . . 4.110 3.443 3.281 3.562 . 0 0 "[ . 1 . 2]" 1
1888 1 67 LEU H 1 67 LEU HG . . 3.460 2.114 1.996 2.255 . 0 0 "[ . 1 . 2]" 1
1889 1 67 LEU H 1 68 GLU H . . 3.500 2.817 2.687 2.894 . 0 0 "[ . 1 . 2]" 1
1890 1 67 LEU H 1 68 GLU QB . . 4.890 4.506 4.396 4.577 . 0 0 "[ . 1 . 2]" 1
1891 1 67 LEU H 1 69 ALA H . . 4.790 4.060 3.999 4.102 . 0 0 "[ . 1 . 2]" 1
1892 1 67 LEU HA 1 67 LEU QD . . 2.990 2.252 2.096 2.420 . 0 0 "[ . 1 . 2]" 1
1893 1 67 LEU HA 1 67 LEU HG . . 3.900 2.975 2.930 3.047 . 0 0 "[ . 1 . 2]" 1
1894 1 67 LEU HA 1 69 ALA H . . 4.990 3.930 3.887 3.959 . 0 0 "[ . 1 . 2]" 1
1895 1 67 LEU HA 1 70 VAL H . . 3.810 3.121 3.027 3.224 . 0 0 "[ . 1 . 2]" 1
1896 1 67 LEU HA 1 70 VAL HB . . 3.230 2.666 2.514 2.762 . 0 0 "[ . 1 . 2]" 1
1897 1 67 LEU HA 1 70 VAL MG1 . . 4.210 4.020 3.879 4.122 . 0 0 "[ . 1 . 2]" 1
1898 1 67 LEU HA 1 70 VAL QG . . 3.510 2.321 1.978 2.780 . 0 0 "[ . 1 . 2]" 1
1899 1 67 LEU HA 1 70 VAL MG2 . . 4.210 2.339 1.983 2.826 . 0 0 "[ . 1 . 2]" 1
1900 1 67 LEU HA 1 71 ASP H . . 4.530 4.268 4.021 4.444 . 0 0 "[ . 1 . 2]" 1
1901 1 67 LEU HB2 1 67 LEU MD1 . . 3.550 2.110 2.035 2.240 . 0 0 "[ . 1 . 2]" 1
1902 1 67 LEU HB2 1 67 LEU QD . . 2.980 2.081 2.011 2.196 . 0 0 "[ . 1 . 2]" 1
1903 1 67 LEU HB2 1 67 LEU MD2 . . 3.550 3.169 3.154 3.184 . 0 0 "[ . 1 . 2]" 1
1904 1 67 LEU HB2 1 68 GLU H . . 3.490 2.422 2.366 2.535 . 0 0 "[ . 1 . 2]" 1
1905 1 67 LEU HB2 1 68 GLU HA . . 4.720 4.169 4.119 4.213 . 0 0 "[ . 1 . 2]" 1
1906 1 67 LEU HB2 1 68 GLU QB . . 4.880 4.019 3.959 4.132 . 0 0 "[ . 1 . 2]" 1
1907 1 67 LEU HB3 1 67 LEU MD1 . . 3.350 2.546 2.409 2.603 . 0 0 "[ . 1 . 2]" 1
1908 1 67 LEU HB3 1 67 LEU QD . . 2.910 2.095 2.013 2.155 . 0 0 "[ . 1 . 2]" 1
1909 1 67 LEU HB3 1 67 LEU MD2 . . 3.350 2.232 2.103 2.320 . 0 0 "[ . 1 . 2]" 1
1910 1 67 LEU HB3 1 68 GLU H . . 3.990 3.531 3.480 3.630 . 0 0 "[ . 1 . 2]" 1
1911 1 67 LEU HB3 1 70 VAL H . . 5.500 4.964 4.841 5.172 . 0 0 "[ . 1 . 2]" 1
1912 1 67 LEU HB3 1 70 VAL HB . . 5.000 4.197 3.991 4.419 . 0 0 "[ . 1 . 2]" 1
1913 1 67 LEU HB3 1 70 VAL QG . . 5.170 4.187 4.017 4.523 . 0 0 "[ . 1 . 2]" 1
1914 1 67 LEU HB3 1 71 ASP H . . 5.500 5.024 4.840 5.260 . 0 0 "[ . 1 . 2]" 1
1915 1 67 LEU QD 1 68 GLU H . . 4.330 3.888 3.834 3.966 . 0 0 "[ . 1 . 2]" 1
1916 1 67 LEU QD 1 70 VAL H . . 5.230 4.743 4.625 4.847 . 0 0 "[ . 1 . 2]" 1
1917 1 67 LEU QD 1 70 VAL HB . . 4.620 3.686 3.444 3.810 . 0 0 "[ . 1 . 2]" 1
1918 1 67 LEU QD 1 70 VAL QG . . 4.110 3.037 2.791 3.369 . 0 0 "[ . 1 . 2]" 1
1919 1 67 LEU MD1 1 68 GLU H . . 4.920 4.141 4.051 4.279 . 0 0 "[ . 1 . 2]" 1
1920 1 67 LEU MD2 1 68 GLU H . . 4.920 4.718 4.682 4.775 . 0 0 "[ . 1 . 2]" 1
1921 1 67 LEU HG 1 68 GLU H . . 5.110 4.258 4.201 4.317 . 0 0 "[ . 1 . 2]" 1
1922 1 68 GLU H 1 68 GLU HB2 . . 3.250 2.444 2.254 2.613 . 0 0 "[ . 1 . 2]" 1
1923 1 68 GLU H 1 68 GLU QB . . 2.840 2.233 2.171 2.250 . 0 0 "[ . 1 . 2]" 1
1924 1 68 GLU H 1 68 GLU HB3 . . 3.250 2.614 2.438 2.836 . 0 0 "[ . 1 . 2]" 1
1925 1 68 GLU H 1 68 GLU HG2 . . 4.650 4.509 4.393 4.632 . 0 0 "[ . 1 . 2]" 1
1926 1 68 GLU H 1 68 GLU QG . . 4.090 3.983 3.861 4.062 . 0 0 "[ . 1 . 2]" 1
1927 1 68 GLU H 1 68 GLU HG3 . . 4.650 4.442 4.221 4.585 . 0 0 "[ . 1 . 2]" 1
1928 1 68 GLU H 1 69 ALA H . . 3.280 2.751 2.720 2.759 . 0 0 "[ . 1 . 2]" 1
1929 1 68 GLU H 1 69 ALA MB . . 5.000 4.456 4.407 4.481 . 0 0 "[ . 1 . 2]" 1
1930 1 68 GLU H 1 70 VAL H . . 4.990 4.220 4.110 4.381 . 0 0 "[ . 1 . 2]" 1
1931 1 68 GLU HA 1 68 GLU HG2 . . 3.850 3.218 2.423 3.801 . 0 0 "[ . 1 . 2]" 1
1932 1 68 GLU HA 1 68 GLU HG3 . . 3.850 2.774 2.310 3.535 . 0 0 "[ . 1 . 2]" 1
1933 1 68 GLU HA 1 70 VAL H . . 4.900 4.473 4.185 4.739 . 0 0 "[ . 1 . 2]" 1
1934 1 68 GLU HA 1 71 ASP H . . 3.970 3.796 3.656 3.912 . 0 0 "[ . 1 . 2]" 1
1935 1 68 GLU HA 1 71 ASP HB2 . . 3.530 3.262 3.063 3.499 . 0 0 "[ . 1 . 2]" 1
1936 1 68 GLU HA 1 71 ASP HB3 . . 4.190 4.071 3.699 4.192 0.002 18 0 "[ . 1 . 2]" 1
1937 1 68 GLU QB 1 69 ALA H . . 3.480 2.827 2.801 2.889 . 0 0 "[ . 1 . 2]" 1
1938 1 68 GLU HB2 1 69 ALA H . . 4.210 4.001 3.836 4.130 . 0 0 "[ . 1 . 2]" 1
1939 1 68 GLU HB3 1 69 ALA H . . 4.210 2.890 2.864 2.950 . 0 0 "[ . 1 . 2]" 1
1940 1 68 GLU QG 1 69 ALA H . . 4.340 3.973 3.654 4.239 . 0 0 "[ . 1 . 2]" 1
1941 1 68 GLU QG 1 72 LEU QD . . 4.150 4.006 3.690 4.150 . 0 0 "[ . 1 . 2]" 1
1942 1 69 ALA H 1 69 ALA MB . . 2.930 2.274 2.258 2.287 . 0 0 "[ . 1 . 2]" 1
1943 1 69 ALA H 1 70 VAL H . . 3.270 2.389 2.339 2.459 . 0 0 "[ . 1 . 2]" 1
1944 1 69 ALA H 1 70 VAL QG . . 4.680 3.736 3.678 3.791 . 0 0 "[ . 1 . 2]" 1
1945 1 69 ALA H 1 71 ASP H . . 4.900 3.980 3.877 4.098 . 0 0 "[ . 1 . 2]" 1
1946 1 69 ALA HA 1 70 VAL HA . . 5.500 4.811 4.750 4.847 . 0 0 "[ . 1 . 2]" 1
1947 1 69 ALA HA 1 71 ASP H . . 4.620 4.157 3.954 4.320 . 0 0 "[ . 1 . 2]" 1
1948 1 69 ALA HA 1 72 LEU H . . 3.910 3.650 3.544 3.769 . 0 0 "[ . 1 . 2]" 1
1949 1 69 ALA HA 1 72 LEU HB2 . . 3.770 3.464 3.211 3.644 . 0 0 "[ . 1 . 2]" 1
1950 1 69 ALA HA 1 72 LEU HB3 . . 5.150 5.103 4.857 5.150 0.000 14 0 "[ . 1 . 2]" 1
1951 1 69 ALA HA 1 72 LEU QD . . 3.670 2.829 2.239 3.352 . 0 0 "[ . 1 . 2]" 1
1952 1 69 ALA HA 1 72 LEU HG . . 4.730 4.196 3.218 4.730 0.000 6 0 "[ . 1 . 2]" 1
1953 1 69 ALA MB 1 70 VAL H . . 3.410 2.646 2.456 2.848 . 0 0 "[ . 1 . 2]" 1
1954 1 69 ALA MB 1 70 VAL HA . . 4.210 3.813 3.758 3.861 . 0 0 "[ . 1 . 2]" 1
1955 1 69 ALA MB 1 70 VAL QG . . 3.880 3.166 3.044 3.258 . 0 0 "[ . 1 . 2]" 1
1956 1 70 VAL H 1 70 VAL HB . . 3.060 2.546 2.508 2.585 . 0 0 "[ . 1 . 2]" 1
1957 1 70 VAL H 1 70 VAL MG1 . . 3.840 3.764 3.763 3.768 . 0 0 "[ . 1 . 2]" 1
1958 1 70 VAL H 1 70 VAL QG . . 2.980 2.143 1.951 2.325 . 0 0 "[ . 1 . 2]" 1
1959 1 70 VAL H 1 70 VAL MG2 . . 3.840 2.157 1.957 2.347 . 0 0 "[ . 1 . 2]" 1
1960 1 70 VAL H 1 71 ASP H . . 3.370 2.650 2.504 2.747 . 0 0 "[ . 1 . 2]" 1
1961 1 70 VAL H 1 71 ASP HB2 . . 5.020 4.604 4.327 4.768 . 0 0 "[ . 1 . 2]" 1
1962 1 70 VAL H 1 72 LEU H . . 4.770 4.239 4.077 4.529 . 0 0 "[ . 1 . 2]" 1
1963 1 70 VAL H 1 73 LEU QD . . 4.750 4.684 4.482 4.751 0.001 20 0 "[ . 1 . 2]" 1
1964 1 70 VAL HA 1 70 VAL MG1 . . 3.220 2.340 2.305 2.385 . 0 0 "[ . 1 . 2]" 1
1965 1 70 VAL HA 1 70 VAL QG . . 2.810 2.082 2.042 2.146 . 0 0 "[ . 1 . 2]" 1
1966 1 70 VAL HA 1 70 VAL MG2 . . 3.220 2.338 2.278 2.434 . 0 0 "[ . 1 . 2]" 1
1967 1 70 VAL HA 1 71 ASP HA . . 5.500 4.859 4.828 4.878 . 0 0 "[ . 1 . 2]" 1
1968 1 70 VAL HA 1 72 LEU H . . 4.810 3.929 3.742 4.351 . 0 0 "[ . 1 . 2]" 1
1969 1 70 VAL HA 1 73 LEU H . . 3.800 3.121 3.033 3.328 . 0 0 "[ . 1 . 2]" 1
1970 1 70 VAL HA 1 73 LEU HA . . 5.310 5.096 4.961 5.254 . 0 0 "[ . 1 . 2]" 1
1971 1 70 VAL HA 1 73 LEU HB2 . . 3.750 2.479 2.335 2.585 . 0 0 "[ . 1 . 2]" 1
1972 1 70 VAL HA 1 73 LEU HB3 . . 4.390 4.097 3.947 4.233 . 0 0 "[ . 1 . 2]" 1
1973 1 70 VAL HA 1 73 LEU QD . . 3.470 2.536 2.254 2.774 . 0 0 "[ . 1 . 2]" 1
1974 1 70 VAL HA 1 73 LEU HG . . 4.370 3.684 3.374 3.994 . 0 0 "[ . 1 . 2]" 1
1975 1 70 VAL HA 1 74 CYS H . . 4.960 4.552 4.339 4.850 . 0 0 "[ . 1 . 2]" 1
1976 1 70 VAL HB 1 71 ASP H . . 3.580 2.763 2.648 2.948 . 0 0 "[ . 1 . 2]" 1
1977 1 70 VAL QG 1 71 ASP H . . 3.800 3.304 3.236 3.407 . 0 0 "[ . 1 . 2]" 1
1978 1 70 VAL QG 1 71 ASP HA . . 4.230 3.532 3.441 3.670 . 0 0 "[ . 1 . 2]" 1
1979 1 70 VAL QG 1 71 ASP HB2 . . 4.960 4.556 4.489 4.626 . 0 0 "[ . 1 . 2]" 1
1980 1 70 VAL QG 1 71 ASP HB3 . . 5.440 5.255 5.192 5.340 . 0 0 "[ . 1 . 2]" 1
1981 1 70 VAL QG 1 73 LEU H . . 4.820 3.845 3.719 4.042 . 0 0 "[ . 1 . 2]" 1
1982 1 70 VAL QG 1 73 LEU HB2 . . 5.360 2.825 2.655 3.063 . 0 0 "[ . 1 . 2]" 1
1983 1 70 VAL QG 1 73 LEU HB3 . . 4.460 3.590 3.480 3.791 . 0 0 "[ . 1 . 2]" 1
1984 1 70 VAL QG 1 73 LEU QD . . 3.540 2.710 2.399 3.357 . 0 0 "[ . 1 . 2]" 1
1985 1 70 VAL QG 1 73 LEU HG . . 4.680 4.282 3.542 4.604 . 0 0 "[ . 1 . 2]" 1
1986 1 70 VAL QG 1 74 CYS H . . 4.350 3.757 3.482 4.192 . 0 0 "[ . 1 . 2]" 1
1987 1 70 VAL QG 1 74 CYS QB . . 4.630 3.552 3.266 3.847 . 0 0 "[ . 1 . 2]" 1
1988 1 70 VAL MG1 1 71 ASP H . . 4.430 3.582 3.478 3.737 . 0 0 "[ . 1 . 2]" 1
1989 1 70 VAL MG1 1 73 LEU HG . . 5.500 4.676 3.724 5.002 . 0 0 "[ . 1 . 2]" 1
1990 1 70 VAL MG2 1 71 ASP H . . 4.430 3.878 3.837 3.928 . 0 0 "[ . 1 . 2]" 1
1991 1 70 VAL MG2 1 73 LEU HG . . 5.500 4.976 4.433 5.382 . 0 0 "[ . 1 . 2]" 1
1992 1 71 ASP H 1 71 ASP HB2 . . 3.270 2.192 2.096 2.299 . 0 0 "[ . 1 . 2]" 1
1993 1 71 ASP H 1 71 ASP HB3 . . 3.480 2.945 2.786 3.125 . 0 0 "[ . 1 . 2]" 1
1994 1 71 ASP H 1 72 LEU H . . 3.400 2.740 2.653 2.846 . 0 0 "[ . 1 . 2]" 1
1995 1 71 ASP HA 1 73 LEU H . . 4.480 4.267 4.102 4.413 . 0 0 "[ . 1 . 2]" 1
1996 1 71 ASP HA 1 74 CYS H . . 4.310 3.711 3.458 4.070 . 0 0 "[ . 1 . 2]" 1
1997 1 71 ASP HA 1 74 CYS QB . . 4.100 3.378 3.124 3.794 . 0 0 "[ . 1 . 2]" 1
1998 1 71 ASP HB2 1 72 LEU H . . 3.870 3.699 3.492 3.841 . 0 0 "[ . 1 . 2]" 1
1999 1 71 ASP HB3 1 72 LEU H . . 3.630 2.874 2.490 3.080 . 0 0 "[ . 1 . 2]" 1
2000 1 71 ASP HB3 1 72 LEU QD . . 5.440 3.794 2.516 4.381 . 0 0 "[ . 1 . 2]" 1
2001 1 71 ASP HB3 1 72 LEU HG . . 5.310 3.848 3.425 5.311 0.001 19 0 "[ . 1 . 2]" 1
2002 1 72 LEU H 1 72 LEU HB2 . . 3.280 2.250 2.123 2.414 . 0 0 "[ . 1 . 2]" 1
2003 1 72 LEU H 1 72 LEU HB3 . . 3.650 3.528 3.441 3.591 . 0 0 "[ . 1 . 2]" 1
2004 1 72 LEU H 1 72 LEU MD1 . . 4.260 3.577 3.182 3.911 . 0 0 "[ . 1 . 2]" 1
2005 1 72 LEU H 1 72 LEU QD . . 3.680 3.093 2.049 3.489 . 0 0 "[ . 1 . 2]" 1
2006 1 72 LEU H 1 72 LEU MD2 . . 4.260 3.709 2.056 4.242 . 0 0 "[ . 1 . 2]" 1
2007 1 72 LEU H 1 72 LEU HG . . 3.860 3.058 2.483 3.861 0.001 19 0 "[ . 1 . 2]" 1
2008 1 72 LEU H 1 73 LEU QD . . 5.440 4.951 4.158 5.248 . 0 0 "[ . 1 . 2]" 1
2009 1 72 LEU H 1 75 ALA MB . . 4.630 4.449 4.243 4.597 . 0 0 "[ . 1 . 2]" 1
2010 1 72 LEU HA 1 72 LEU MD1 . . 3.850 3.567 2.063 3.850 0.000 18 0 "[ . 1 . 2]" 1
2011 1 72 LEU HA 1 72 LEU QD . . 3.020 2.257 1.928 2.589 . 0 0 "[ . 1 . 2]" 1
2012 1 72 LEU HA 1 72 LEU MD2 . . 3.850 2.333 2.000 2.633 . 0 0 "[ . 1 . 2]" 1
2013 1 72 LEU HA 1 72 LEU HG . . 4.120 2.858 2.466 3.703 . 0 0 "[ . 1 . 2]" 1
2014 1 72 LEU HA 1 74 CYS H . . 4.680 4.309 3.902 4.597 . 0 0 "[ . 1 . 2]" 1
2015 1 72 LEU HA 1 75 ALA H . . 3.490 3.304 3.065 3.478 . 0 0 "[ . 1 . 2]" 1
2016 1 72 LEU HA 1 75 ALA MB . . 3.060 2.281 2.040 2.642 . 0 0 "[ . 1 . 2]" 1
2017 1 72 LEU HB2 1 72 LEU MD1 . . 3.520 2.314 1.991 3.184 . 0 0 "[ . 1 . 2]" 1
2018 1 72 LEU HB2 1 72 LEU QD . . 3.070 2.157 1.969 2.370 . 0 0 "[ . 1 . 2]" 1
2019 1 72 LEU HB2 1 72 LEU MD2 . . 3.520 3.039 2.383 3.193 . 0 0 "[ . 1 . 2]" 1
2020 1 72 LEU HB2 1 73 LEU H . . 3.770 2.909 2.765 3.117 . 0 0 "[ . 1 . 2]" 1
2021 1 72 LEU HB3 1 72 LEU MD1 . . 3.420 2.498 2.212 2.736 . 0 0 "[ . 1 . 2]" 1
2022 1 72 LEU HB3 1 72 LEU QD . . 2.980 2.078 1.962 2.275 . 0 0 "[ . 1 . 2]" 1
2023 1 72 LEU HB3 1 72 LEU MD2 . . 3.420 2.340 2.017 3.193 . 0 0 "[ . 1 . 2]" 1
2024 1 72 LEU HB3 1 73 LEU H . . 3.860 3.580 3.306 3.756 . 0 0 "[ . 1 . 2]" 1
2025 1 72 LEU QD 1 75 ALA MB . . 4.420 3.105 2.586 3.553 . 0 0 "[ . 1 . 2]" 1
2026 1 73 LEU H 1 73 LEU HB2 . . 3.140 2.117 2.072 2.160 . 0 0 "[ . 1 . 2]" 1
2027 1 73 LEU H 1 73 LEU HB3 . . 3.670 3.435 3.376 3.478 . 0 0 "[ . 1 . 2]" 1
2028 1 73 LEU H 1 73 LEU MD1 . . 4.260 3.781 3.660 4.078 . 0 0 "[ . 1 . 2]" 1
2029 1 73 LEU H 1 73 LEU QD . . 3.670 3.415 2.638 3.516 . 0 0 "[ . 1 . 2]" 1
2030 1 73 LEU H 1 73 LEU MD2 . . 4.260 3.958 2.671 4.094 . 0 0 "[ . 1 . 2]" 1
2031 1 73 LEU H 1 73 LEU HG . . 4.160 3.176 2.971 4.160 . 0 0 "[ . 1 . 2]" 1
2032 1 73 LEU H 1 74 CYS H . . 3.290 2.680 2.573 2.922 . 0 0 "[ . 1 . 2]" 1
2033 1 73 LEU H 1 76 LEU QD . . 5.280 4.578 4.033 5.243 . 0 0 "[ . 1 . 2]" 1
2034 1 73 LEU HA 1 73 LEU QD . . 3.130 2.102 1.867 2.249 . 0 0 "[ . 1 . 2]" 1
2035 1 73 LEU HA 1 73 LEU HG . . 3.820 2.709 2.611 3.639 . 0 0 "[ . 1 . 2]" 1
2036 1 73 LEU HA 1 76 LEU H . . 4.300 3.891 3.621 4.176 . 0 0 "[ . 1 . 2]" 1
2037 1 73 LEU HA 1 76 LEU QB . . 3.610 3.172 2.817 3.554 . 0 0 "[ . 1 . 2]" 1
2038 1 73 LEU HA 1 76 LEU QD . . 4.100 3.122 2.591 3.802 . 0 0 "[ . 1 . 2]" 1
2039 1 73 LEU HB2 1 73 LEU MD1 . . 3.630 2.326 2.180 3.184 . 0 0 "[ . 1 . 2]" 1
2040 1 73 LEU HB2 1 73 LEU QD . . 3.080 2.238 2.144 2.345 . 0 0 "[ . 1 . 2]" 1
2041 1 73 LEU HB2 1 73 LEU MD2 . . 3.630 3.142 2.414 3.190 . 0 0 "[ . 1 . 2]" 1
2042 1 73 LEU HB2 1 74 CYS H . . 3.730 2.893 2.623 3.150 . 0 0 "[ . 1 . 2]" 1
2043 1 73 LEU HB2 1 74 CYS HA . . 5.310 4.886 4.751 4.985 . 0 0 "[ . 1 . 2]" 1
2044 1 73 LEU HB3 1 74 CYS H . . 3.500 3.165 2.691 3.463 . 0 0 "[ . 1 . 2]" 1
2045 1 73 LEU HB3 1 74 CYS HA . . 4.320 4.001 3.801 4.139 . 0 0 "[ . 1 . 2]" 1
2046 1 73 LEU HB3 1 74 CYS QB . . 4.610 4.264 4.113 4.527 . 0 0 "[ . 1 . 2]" 1
2047 1 73 LEU QD 1 74 CYS H . . 4.510 4.089 3.863 4.234 . 0 0 "[ . 1 . 2]" 1
2048 1 73 LEU QD 1 76 LEU QB . . 4.230 3.914 3.531 4.227 . 0 0 "[ . 1 . 2]" 1
2049 1 73 LEU QD 1 77 ASN QD . . 3.980 3.520 2.915 3.922 . 0 0 "[ . 1 . 2]" 1
2050 1 73 LEU MD1 1 74 CYS H . . 5.220 4.637 4.263 4.882 . 0 0 "[ . 1 . 2]" 1
2051 1 73 LEU MD2 1 74 CYS H . . 5.220 4.550 4.418 4.643 . 0 0 "[ . 1 . 2]" 1
2052 1 73 LEU HG 1 74 CYS H . . 5.020 4.891 4.758 4.996 . 0 0 "[ . 1 . 2]" 1
2053 1 74 CYS H 1 74 CYS HB2 . . 3.630 2.323 2.068 2.738 . 0 0 "[ . 1 . 2]" 1
2054 1 74 CYS H 1 74 CYS QB . . 3.040 2.188 2.045 2.299 . 0 0 "[ . 1 . 2]" 1
2055 1 74 CYS H 1 74 CYS HB3 . . 3.630 2.910 2.406 3.362 . 0 0 "[ . 1 . 2]" 1
2056 1 74 CYS H 1 75 ALA H . . 3.310 2.440 2.264 2.625 . 0 0 "[ . 1 . 2]" 1
2057 1 74 CYS H 1 76 LEU H . . 4.750 4.115 3.773 4.465 . 0 0 "[ . 1 . 2]" 1
2058 1 74 CYS HA 1 77 ASN H . . 3.990 3.438 3.067 3.704 . 0 0 "[ . 1 . 2]" 1
2059 1 74 CYS HA 1 77 ASN HB2 . . 4.530 2.927 2.353 3.522 . 0 0 "[ . 1 . 2]" 1
2060 1 74 CYS HA 1 77 ASN HB3 . . 4.530 4.140 3.439 4.530 . 0 0 "[ . 1 . 2]" 1
2061 1 74 CYS QB 1 75 ALA H . . 3.560 2.733 2.433 2.940 . 0 0 "[ . 1 . 2]" 1
2062 1 74 CYS QB 1 75 ALA HA . . 4.880 3.908 3.762 4.246 . 0 0 "[ . 1 . 2]" 1
2063 1 74 CYS QB 1 75 ALA MB . . 4.880 3.911 3.726 4.058 . 0 0 "[ . 1 . 2]" 1
2064 1 74 CYS HB2 1 75 ALA H . . 4.260 3.581 3.053 4.072 . 0 0 "[ . 1 . 2]" 1
2065 1 74 CYS HB3 1 75 ALA H . . 4.260 2.874 2.461 3.383 . 0 0 "[ . 1 . 2]" 1
2066 1 75 ALA H 1 75 ALA MB . . 2.900 2.141 2.030 2.235 . 0 0 "[ . 1 . 2]" 1
2067 1 75 ALA H 1 76 LEU H . . 3.390 2.687 2.521 2.906 . 0 0 "[ . 1 . 2]" 1
2068 1 75 ALA H 1 76 LEU QB . . 4.610 4.443 4.250 4.609 . 0 0 "[ . 1 . 2]" 1
2069 1 75 ALA MB 1 76 LEU H . . 3.470 2.622 2.289 2.906 . 0 0 "[ . 1 . 2]" 1
2070 1 75 ALA MB 1 77 ASN H . . 5.110 4.463 4.169 4.727 . 0 0 "[ . 1 . 2]" 1
2071 1 76 LEU H 1 76 LEU HB2 . . 3.640 2.190 2.087 2.382 . 0 0 "[ . 1 . 2]" 1
2072 1 76 LEU H 1 76 LEU QB . . 2.840 2.168 2.070 2.349 . 0 0 "[ . 1 . 2]" 1
2073 1 76 LEU H 1 76 LEU HB3 . . 3.640 3.486 3.405 3.571 . 0 0 "[ . 1 . 2]" 1
2074 1 76 LEU H 1 76 LEU MD1 . . 4.320 3.511 3.005 3.887 . 0 0 "[ . 1 . 2]" 1
2075 1 76 LEU H 1 76 LEU QD . . 3.760 3.296 2.943 3.480 . 0 0 "[ . 1 . 2]" 1
2076 1 76 LEU H 1 76 LEU MD2 . . 4.320 4.069 3.697 4.315 . 0 0 "[ . 1 . 2]" 1
2077 1 76 LEU H 1 76 LEU HG . . 3.560 3.022 2.443 3.386 . 0 0 "[ . 1 . 2]" 1
2078 1 76 LEU H 1 77 ASN H . . 3.830 2.603 2.315 2.819 . 0 0 "[ . 1 . 2]" 1
2079 1 76 LEU HA 1 76 LEU MD1 . . 4.210 3.793 3.710 3.873 . 0 0 "[ . 1 . 2]" 1
2080 1 76 LEU HA 1 76 LEU QD . . 3.140 2.320 1.986 2.716 . 0 0 "[ . 1 . 2]" 1
2081 1 76 LEU HA 1 76 LEU MD2 . . 4.210 2.345 1.993 2.792 . 0 0 "[ . 1 . 2]" 1
2082 1 76 LEU HA 1 76 LEU HG . . 3.900 2.582 2.347 2.844 . 0 0 "[ . 1 . 2]" 1
2083 1 76 LEU QB 1 76 LEU QD . . 2.750 1.858 1.788 1.932 . 0 0 "[ . 1 . 2]" 1
2084 1 76 LEU QB 1 77 ASN H . . 3.940 2.758 2.511 2.952 . 0 0 "[ . 1 . 2]" 1
2085 1 76 LEU QB 1 77 ASN QD . . 4.390 3.322 2.640 4.185 . 0 0 "[ . 1 . 2]" 1
2086 1 76 LEU HB2 1 76 LEU MD1 . . 3.560 2.151 1.962 2.321 . 0 0 "[ . 1 . 2]" 1
2087 1 76 LEU HB2 1 76 LEU MD2 . . 3.560 3.150 3.049 3.193 . 0 0 "[ . 1 . 2]" 1
2088 1 76 LEU HB2 1 77 ASN H . . 4.750 2.922 2.583 3.199 . 0 0 "[ . 1 . 2]" 1
2089 1 76 LEU HB3 1 76 LEU MD1 . . 3.560 2.547 2.300 2.780 . 0 0 "[ . 1 . 2]" 1
2090 1 76 LEU HB3 1 76 LEU MD2 . . 3.560 2.199 2.082 2.357 . 0 0 "[ . 1 . 2]" 1
2091 1 76 LEU HB3 1 77 ASN H . . 4.750 3.413 3.039 3.665 . 0 0 "[ . 1 . 2]" 1
2092 1 76 LEU QD 1 77 ASN H . . 5.440 4.176 4.023 4.268 . 0 0 "[ . 1 . 2]" 1
2093 1 77 ASN H 1 77 ASN HB2 . . 4.210 2.219 2.074 2.369 . 0 0 "[ . 1 . 2]" 1
2094 1 77 ASN H 1 77 ASN QB . . 3.560 2.192 2.053 2.337 . 0 0 "[ . 1 . 2]" 1
2095 1 77 ASN H 1 77 ASN HB3 . . 4.210 3.424 3.037 3.608 . 0 0 "[ . 1 . 2]" 1
2096 1 77 ASN H 1 77 ASN QD . . 4.890 2.963 2.185 3.855 . 0 0 "[ . 1 . 2]" 1
2097 1 78 SER HB2 1 79 GLY H . . 5.500 3.523 2.138 4.595 . 0 0 "[ . 1 . 2]" 1
2098 1 78 SER HB3 1 79 GLY H . . 5.500 3.705 2.112 4.607 . 0 0 "[ . 1 . 2]" 1
2099 1 79 GLY QA 1 80 PRO QD . . 3.030 2.035 1.957 2.172 . 0 0 "[ . 1 . 2]" 1
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