Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420409 | 2ekh RC | 10272 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ekh
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 1291
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 49.607
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.005 0.003 14 0 "[ . 1 . 2]"
1 9 THR 0.010 0.007 20 0 "[ . 1 . 2]"
1 10 SER 0.009 0.007 20 0 "[ . 1 . 2]"
1 11 TYR 0.152 0.064 19 0 "[ . 1 . 2]"
1 12 MET 0.084 0.048 20 0 "[ . 1 . 2]"
1 13 THR 0.036 0.022 20 0 "[ . 1 . 2]"
1 14 CYS 0.006 0.002 11 0 "[ . 1 . 2]"
1 15 SER 0.006 0.004 18 0 "[ . 1 . 2]"
1 16 ALA 0.002 0.001 20 0 "[ . 1 . 2]"
1 17 TYR 0.013 0.009 18 0 "[ . 1 . 2]"
1 18 GLN 0.010 0.010 7 0 "[ . 1 . 2]"
1 19 LYS 0.018 0.006 17 0 "[ . 1 . 2]"
1 20 VAL 0.023 0.016 12 0 "[ . 1 . 2]"
1 21 GLN 0.051 0.025 18 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.003 0.001 16 0 "[ . 1 . 2]"
1 24 GLU 0.094 0.025 18 0 "[ . 1 . 2]"
1 25 ILE 0.554 0.026 19 0 "[ . 1 . 2]"
1 26 SER 0.010 0.010 7 0 "[ . 1 . 2]"
1 27 PHE 0.014 0.003 16 0 "[ . 1 . 2]"
1 28 PRO 0.014 0.007 15 0 "[ . 1 . 2]"
1 29 ALA 0.011 0.002 11 0 "[ . 1 . 2]"
1 30 GLY 0.003 0.002 15 0 "[ . 1 . 2]"
1 31 VAL 0.015 0.007 15 0 "[ . 1 . 2]"
1 32 GLU 0.085 0.062 9 0 "[ . 1 . 2]"
1 33 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 34 GLN 0.009 0.003 14 0 "[ . 1 . 2]"
1 35 VAL 0.012 0.007 15 0 "[ . 1 . 2]"
1 36 LEU 0.001 0.001 15 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.107 0.045 15 0 "[ . 1 . 2]"
1 39 GLN 0.007 0.007 15 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 2 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 0.032 0.018 4 0 "[ . 1 . 2]"
1 44 TRP 0.092 0.034 15 0 "[ . 1 . 2]"
1 45 TYR 0.006 0.006 15 0 "[ . 1 . 2]"
1 46 VAL 0.030 0.012 20 0 "[ . 1 . 2]"
1 47 ARG 0.009 0.005 15 0 "[ . 1 . 2]"
1 48 PHE 0.014 0.008 16 0 "[ . 1 . 2]"
1 49 GLY 0.020 0.010 10 0 "[ . 1 . 2]"
1 50 GLU 0.327 0.103 16 0 "[ . 1 . 2]"
1 51 LEU 0.204 0.049 20 0 "[ . 1 . 2]"
1 52 GLU 0.005 0.005 15 0 "[ . 1 . 2]"
1 53 GLY 0.125 0.018 14 0 "[ . 1 . 2]"
1 54 TRP 0.015 0.002 16 0 "[ . 1 . 2]"
1 55 ALA 0.018 0.008 14 0 "[ . 1 . 2]"
1 56 PRO 0.004 0.001 8 0 "[ . 1 . 2]"
1 57 SER 0.003 0.003 20 0 "[ . 1 . 2]"
1 58 HIS 0.000 0.000 17 0 "[ . 1 . 2]"
1 59 TYR 0.015 0.013 4 0 "[ . 1 . 2]"
1 60 LEU 0.025 0.007 10 0 "[ . 1 . 2]"
1 61 VAL 0.068 0.017 19 0 "[ . 1 . 2]"
1 62 LEU 0.450 0.092 18 0 "[ . 1 . 2]"
1 63 ASP 0.273 0.070 19 0 "[ . 1 . 2]"
1 64 GLU 0.250 0.070 19 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.083 0.037 18 0 "[ . 1 . 2]"
1 68 PRO 0.071 0.037 18 0 "[ . 1 . 2]"
1 69 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 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 7 GLY QA 1 8 ALA H . . 3.500 2.339 2.109 2.690 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ALA MB . . 4.570 3.845 3.526 4.118 . 0 0 "[ . 1 . 2]" 1
3 1 8 ALA H 1 8 ALA MB . . 3.460 2.389 2.090 2.776 . 0 0 "[ . 1 . 2]" 1
4 1 8 ALA HA 1 9 THR H . . 3.050 2.555 2.372 2.648 . 0 0 "[ . 1 . 2]" 1
5 1 8 ALA MB 1 9 THR H . . 3.820 2.138 1.911 2.578 . 0 0 "[ . 1 . 2]" 1
6 1 8 ALA MB 1 10 SER H . . 5.010 4.765 4.490 4.977 . 0 0 "[ . 1 . 2]" 1
7 1 8 ALA MB 1 11 TYR QE . . 5.380 5.334 5.234 5.381 0.001 14 0 "[ . 1 . 2]" 1
8 1 8 ALA MB 1 34 GLN HB2 . . 5.030 4.909 4.716 5.025 . 0 0 "[ . 1 . 2]" 1
9 1 8 ALA MB 1 34 GLN QB . . 4.320 4.003 3.366 4.323 0.003 14 0 "[ . 1 . 2]" 1
10 1 8 ALA MB 1 34 GLN HB3 . . 5.030 4.313 3.431 4.815 . 0 0 "[ . 1 . 2]" 1
11 1 8 ALA MB 1 34 GLN HG2 . . 4.900 3.072 2.286 4.707 . 0 0 "[ . 1 . 2]" 1
12 1 8 ALA MB 1 34 GLN HG3 . . 4.900 3.368 2.534 4.814 . 0 0 "[ . 1 . 2]" 1
13 1 8 ALA MB 1 35 VAL HB . . 4.980 4.146 3.578 4.766 . 0 0 "[ . 1 . 2]" 1
14 1 8 ALA MB 1 36 LEU QD . . 3.640 3.417 3.263 3.551 . 0 0 "[ . 1 . 2]" 1
15 1 9 THR H 1 9 THR HB . . 3.950 2.753 2.598 2.994 . 0 0 "[ . 1 . 2]" 1
16 1 9 THR H 1 9 THR MG . . 4.100 3.880 3.815 3.947 . 0 0 "[ . 1 . 2]" 1
17 1 9 THR H 1 10 SER QB . . 5.500 5.417 5.292 5.507 0.007 20 0 "[ . 1 . 2]" 1
18 1 9 THR H 1 35 VAL H . . 4.330 3.519 3.206 3.966 . 0 0 "[ . 1 . 2]" 1
19 1 9 THR H 1 35 VAL HB . . 4.710 3.222 2.792 3.626 . 0 0 "[ . 1 . 2]" 1
20 1 9 THR HA 1 9 THR MG . . 3.320 2.390 2.172 2.481 . 0 0 "[ . 1 . 2]" 1
21 1 9 THR HA 1 10 SER H . . 2.920 2.155 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
22 1 9 THR HA 1 11 TYR QE . . 4.560 4.436 4.281 4.554 . 0 0 "[ . 1 . 2]" 1
23 1 9 THR HA 1 35 VAL H . . 5.110 5.057 4.879 5.112 0.002 9 0 "[ . 1 . 2]" 1
24 1 9 THR HA 1 35 VAL HB . . 5.500 5.240 4.968 5.417 . 0 0 "[ . 1 . 2]" 1
25 1 9 THR HB 1 10 SER H . . 4.500 4.221 4.078 4.349 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR HB 1 11 TYR QD . . 4.740 4.076 3.827 4.317 . 0 0 "[ . 1 . 2]" 1
27 1 9 THR HB 1 11 TYR QE . . 3.650 2.115 2.001 2.342 . 0 0 "[ . 1 . 2]" 1
28 1 9 THR HB 1 35 VAL H . . 4.820 4.639 4.322 4.801 . 0 0 "[ . 1 . 2]" 1
29 1 9 THR HB 1 35 VAL HB . . 4.020 3.414 3.171 3.680 . 0 0 "[ . 1 . 2]" 1
30 1 9 THR MG 1 10 SER H . . 3.750 2.505 2.043 2.977 . 0 0 "[ . 1 . 2]" 1
31 1 9 THR MG 1 11 TYR QD . . 4.220 3.169 2.827 3.513 . 0 0 "[ . 1 . 2]" 1
32 1 9 THR MG 1 11 TYR QE . . 3.650 2.331 2.133 2.672 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR MG 1 35 VAL HB . . 5.030 4.299 3.941 4.573 . 0 0 "[ . 1 . 2]" 1
34 1 9 THR MG 1 35 VAL MG1 . . 5.130 4.906 4.630 5.126 . 0 0 "[ . 1 . 2]" 1
35 1 10 SER H 1 10 SER QB . . 3.120 2.474 2.177 2.744 . 0 0 "[ . 1 . 2]" 1
36 1 10 SER H 1 11 TYR H . . 4.580 4.532 4.494 4.578 . 0 0 "[ . 1 . 2]" 1
37 1 10 SER H 1 11 TYR QE . . 4.900 4.726 4.523 4.867 . 0 0 "[ . 1 . 2]" 1
38 1 10 SER HA 1 11 TYR H . . 2.740 2.182 2.153 2.233 . 0 0 "[ . 1 . 2]" 1
39 1 10 SER HA 1 11 TYR QD . . 4.560 2.849 2.628 3.036 . 0 0 "[ . 1 . 2]" 1
40 1 10 SER HA 1 33 VAL H . . 4.800 4.414 4.125 4.619 . 0 0 "[ . 1 . 2]" 1
41 1 10 SER HA 1 34 GLN HA . . 3.570 2.206 2.016 2.399 . 0 0 "[ . 1 . 2]" 1
42 1 10 SER HA 1 35 VAL H . . 4.000 2.927 2.650 3.352 . 0 0 "[ . 1 . 2]" 1
43 1 10 SER QB 1 11 TYR H . . 3.830 3.179 2.910 3.693 . 0 0 "[ . 1 . 2]" 1
44 1 10 SER QB 1 32 GLU HG2 . . 4.290 2.725 2.104 4.291 0.001 9 0 "[ . 1 . 2]" 1
45 1 10 SER QB 1 32 GLU QG . . 3.690 2.543 2.074 3.673 . 0 0 "[ . 1 . 2]" 1
46 1 10 SER QB 1 32 GLU HG3 . . 4.290 3.235 2.572 4.128 . 0 0 "[ . 1 . 2]" 1
47 1 10 SER QB 1 34 GLN HA . . 4.550 3.298 2.822 3.921 . 0 0 "[ . 1 . 2]" 1
48 1 11 TYR H 1 11 TYR HB2 . . 3.350 2.557 2.494 2.631 . 0 0 "[ . 1 . 2]" 1
49 1 11 TYR H 1 11 TYR HB3 . . 3.930 3.728 3.689 3.771 . 0 0 "[ . 1 . 2]" 1
50 1 11 TYR H 1 11 TYR QD . . 3.640 2.356 2.202 2.462 . 0 0 "[ . 1 . 2]" 1
51 1 11 TYR H 1 11 TYR QE . . 4.750 4.651 4.511 4.746 . 0 0 "[ . 1 . 2]" 1
52 1 11 TYR H 1 32 GLU QG . . 4.440 3.650 3.150 4.441 0.001 9 0 "[ . 1 . 2]" 1
53 1 11 TYR H 1 33 VAL H . . 3.590 3.101 2.683 3.307 . 0 0 "[ . 1 . 2]" 1
54 1 11 TYR H 1 33 VAL HB . . 5.320 4.847 4.683 5.020 . 0 0 "[ . 1 . 2]" 1
55 1 11 TYR H 1 33 VAL MG2 . . 3.780 2.776 2.470 3.077 . 0 0 "[ . 1 . 2]" 1
56 1 11 TYR H 1 34 GLN HA . . 3.910 3.566 3.261 3.780 . 0 0 "[ . 1 . 2]" 1
57 1 11 TYR H 1 35 VAL HB . . 5.500 5.273 5.046 5.447 . 0 0 "[ . 1 . 2]" 1
58 1 11 TYR H 1 35 VAL MG2 . . 4.290 3.451 3.097 3.889 . 0 0 "[ . 1 . 2]" 1
59 1 11 TYR HB2 1 12 MET H . . 3.820 3.492 3.379 3.685 . 0 0 "[ . 1 . 2]" 1
60 1 11 TYR HB2 1 33 VAL H . . 4.540 4.330 3.967 4.511 . 0 0 "[ . 1 . 2]" 1
61 1 11 TYR HB2 1 33 VAL MG2 . . 3.500 2.759 2.472 2.956 . 0 0 "[ . 1 . 2]" 1
62 1 11 TYR HB2 1 35 VAL MG2 . . 3.940 3.209 2.987 3.397 . 0 0 "[ . 1 . 2]" 1
63 1 11 TYR HB2 1 60 LEU HB2 . . 4.900 4.508 4.046 4.855 . 0 0 "[ . 1 . 2]" 1
64 1 11 TYR HB2 1 60 LEU HB3 . . 4.290 2.922 2.536 3.217 . 0 0 "[ . 1 . 2]" 1
65 1 11 TYR HB2 1 60 LEU MD1 . . 4.190 3.148 2.605 3.636 . 0 0 "[ . 1 . 2]" 1
66 1 11 TYR HB2 1 60 LEU MD2 . . 4.040 2.445 2.018 2.809 . 0 0 "[ . 1 . 2]" 1
67 1 11 TYR HB2 1 61 VAL H . . 4.670 4.393 4.047 4.669 . 0 0 "[ . 1 . 2]" 1
68 1 11 TYR HB3 1 12 MET H . . 3.350 2.250 2.102 2.494 . 0 0 "[ . 1 . 2]" 1
69 1 11 TYR HB3 1 33 VAL MG2 . . 4.180 3.959 3.677 4.181 0.001 19 0 "[ . 1 . 2]" 1
70 1 11 TYR HB3 1 35 VAL MG2 . . 4.630 4.355 4.101 4.543 . 0 0 "[ . 1 . 2]" 1
71 1 11 TYR HB3 1 60 LEU HB2 . . 4.480 4.152 3.702 4.477 . 0 0 "[ . 1 . 2]" 1
72 1 11 TYR HB3 1 60 LEU HB3 . . 3.870 2.482 2.042 2.823 . 0 0 "[ . 1 . 2]" 1
73 1 11 TYR HB3 1 60 LEU MD1 . . 4.930 3.887 3.456 4.253 . 0 0 "[ . 1 . 2]" 1
74 1 11 TYR HB3 1 60 LEU MD2 . . 3.840 3.079 2.598 3.422 . 0 0 "[ . 1 . 2]" 1
75 1 11 TYR HB3 1 61 VAL H . . 4.250 3.021 2.691 3.351 . 0 0 "[ . 1 . 2]" 1
76 1 11 TYR QD 1 12 MET H . . 4.220 3.815 3.707 3.994 . 0 0 "[ . 1 . 2]" 1
77 1 11 TYR QD 1 33 VAL MG2 . . 4.280 3.847 3.440 4.245 . 0 0 "[ . 1 . 2]" 1
78 1 11 TYR QD 1 35 VAL H . . 4.180 3.386 2.925 4.134 . 0 0 "[ . 1 . 2]" 1
79 1 11 TYR QD 1 35 VAL HB . . 4.020 3.448 3.130 3.707 . 0 0 "[ . 1 . 2]" 1
80 1 11 TYR QD 1 35 VAL MG1 . . 4.600 4.392 4.204 4.534 . 0 0 "[ . 1 . 2]" 1
81 1 11 TYR QD 1 35 VAL MG2 . . 3.290 2.149 1.973 2.404 . 0 0 "[ . 1 . 2]" 1
82 1 11 TYR QD 1 44 TRP HE3 . . 4.870 4.546 4.189 4.871 0.001 10 0 "[ . 1 . 2]" 1
83 1 11 TYR QD 1 44 TRP HZ3 . . 4.810 3.512 2.833 4.109 . 0 0 "[ . 1 . 2]" 1
84 1 11 TYR QD 1 60 LEU HB2 . . 4.270 3.888 3.353 4.248 . 0 0 "[ . 1 . 2]" 1
85 1 11 TYR QD 1 60 LEU HB3 . . 3.910 2.990 2.389 3.297 . 0 0 "[ . 1 . 2]" 1
86 1 11 TYR QD 1 60 LEU MD1 . . 4.370 3.689 3.379 3.995 . 0 0 "[ . 1 . 2]" 1
87 1 11 TYR QD 1 60 LEU MD2 . . 4.630 4.011 3.613 4.250 . 0 0 "[ . 1 . 2]" 1
88 1 11 TYR QD 1 61 VAL H . . 4.250 3.841 3.496 4.202 . 0 0 "[ . 1 . 2]" 1
89 1 11 TYR QD 1 61 VAL HA . . 4.690 4.604 4.367 4.692 0.002 15 0 "[ . 1 . 2]" 1
90 1 11 TYR QD 1 62 LEU H . . 4.780 4.209 3.481 4.654 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR QD 1 62 LEU HA . . 4.000 2.825 1.999 3.978 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR QD 1 62 LEU QB . . 4.660 3.612 2.044 4.561 . 0 0 "[ . 1 . 2]" 1
93 1 11 TYR QD 1 62 LEU QD . . 4.230 2.853 1.948 3.715 . 0 0 "[ . 1 . 2]" 1
94 1 11 TYR QD 1 62 LEU HG . . 5.390 4.283 2.657 5.243 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR QE 1 35 VAL H . . 4.780 3.951 3.289 4.524 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR QE 1 35 VAL HB . . 3.740 2.559 2.024 2.925 . 0 0 "[ . 1 . 2]" 1
97 1 11 TYR QE 1 35 VAL MG1 . . 4.050 3.466 3.170 3.688 . 0 0 "[ . 1 . 2]" 1
98 1 11 TYR QE 1 35 VAL MG2 . . 3.470 2.458 2.155 2.707 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR QE 1 38 LYS QE . . 5.030 3.418 3.081 3.968 . 0 0 "[ . 1 . 2]" 1
100 1 11 TYR QE 1 44 TRP HH2 . . 4.660 3.717 3.084 4.446 . 0 0 "[ . 1 . 2]" 1
101 1 11 TYR QE 1 44 TRP HZ3 . . 4.120 2.721 2.196 3.455 . 0 0 "[ . 1 . 2]" 1
102 1 11 TYR QE 1 60 LEU HB3 . . 4.870 4.756 4.319 4.877 0.007 10 0 "[ . 1 . 2]" 1
103 1 11 TYR QE 1 62 LEU H . . 5.230 4.975 4.210 5.230 0.000 15 0 "[ . 1 . 2]" 1
104 1 11 TYR QE 1 62 LEU HA . . 4.340 3.036 1.996 4.247 . 0 0 "[ . 1 . 2]" 1
105 1 11 TYR QE 1 62 LEU QB . . 4.010 2.812 1.822 3.708 . 0 0 "[ . 1 . 2]" 1
106 1 11 TYR QE 1 62 LEU MD1 . . 4.290 3.036 1.785 4.121 . 0 0 "[ . 1 . 2]" 1
107 1 11 TYR QE 1 62 LEU QD . . 3.630 2.417 1.784 3.445 . 0 0 "[ . 1 . 2]" 1
108 1 11 TYR QE 1 62 LEU MD2 . . 4.290 3.234 1.872 4.293 0.003 6 0 "[ . 1 . 2]" 1
109 1 11 TYR QE 1 62 LEU HG . . 4.410 3.595 2.046 4.474 0.064 19 0 "[ . 1 . 2]" 1
110 1 12 MET H 1 12 MET QB . . 3.130 2.404 2.339 2.473 . 0 0 "[ . 1 . 2]" 1
111 1 12 MET H 1 12 MET HG2 . . 4.820 4.169 3.109 4.784 . 0 0 "[ . 1 . 2]" 1
112 1 12 MET H 1 12 MET QG . . 3.990 3.709 3.037 4.038 0.048 20 0 "[ . 1 . 2]" 1
113 1 12 MET H 1 12 MET HG3 . . 4.820 4.339 3.633 4.689 . 0 0 "[ . 1 . 2]" 1
114 1 12 MET H 1 13 THR HA . . 4.990 4.947 4.865 5.012 0.022 20 0 "[ . 1 . 2]" 1
115 1 12 MET H 1 33 VAL MG2 . . 4.780 4.550 4.195 4.759 . 0 0 "[ . 1 . 2]" 1
116 1 12 MET H 1 61 VAL HA . . 5.500 5.097 4.793 5.454 . 0 0 "[ . 1 . 2]" 1
117 1 12 MET H 1 61 VAL HB . . 5.040 3.616 2.441 4.987 . 0 0 "[ . 1 . 2]" 1
118 1 12 MET H 1 61 VAL QG . . 4.290 2.971 1.898 3.827 . 0 0 "[ . 1 . 2]" 1
119 1 12 MET H 1 62 LEU HA . . 5.500 5.185 4.449 5.496 . 0 0 "[ . 1 . 2]" 1
120 1 12 MET HA 1 12 MET ME . . 3.920 3.432 2.933 3.833 . 0 0 "[ . 1 . 2]" 1
121 1 12 MET HA 1 13 THR H . . 2.790 2.162 2.141 2.237 . 0 0 "[ . 1 . 2]" 1
122 1 12 MET HA 1 13 THR MG . . 4.130 3.447 3.276 3.730 . 0 0 "[ . 1 . 2]" 1
123 1 12 MET HA 1 31 VAL H . . 5.280 4.990 4.710 5.243 . 0 0 "[ . 1 . 2]" 1
124 1 12 MET HA 1 32 GLU HA . . 3.250 2.543 2.000 2.775 . 0 0 "[ . 1 . 2]" 1
125 1 12 MET HA 1 33 VAL H . . 3.840 3.675 3.467 3.837 . 0 0 "[ . 1 . 2]" 1
126 1 12 MET HA 1 33 VAL MG1 . . 5.440 5.015 4.686 5.231 . 0 0 "[ . 1 . 2]" 1
127 1 12 MET HA 1 33 VAL MG2 . . 4.740 3.868 3.554 4.134 . 0 0 "[ . 1 . 2]" 1
128 1 12 MET HA 1 60 LEU MD2 . . 5.500 4.493 4.081 4.945 . 0 0 "[ . 1 . 2]" 1
129 1 12 MET QB 1 13 THR H . . 3.790 3.529 3.080 3.796 0.006 20 0 "[ . 1 . 2]" 1
130 1 12 MET QB 1 61 VAL H . . 4.560 3.912 3.419 4.216 . 0 0 "[ . 1 . 2]" 1
131 1 12 MET QB 1 61 VAL HB . . 4.530 3.166 2.120 4.401 . 0 0 "[ . 1 . 2]" 1
132 1 12 MET QB 1 61 VAL MG1 . . 4.060 3.137 1.840 3.680 . 0 0 "[ . 1 . 2]" 1
133 1 12 MET QB 1 61 VAL QG . . 3.320 2.456 1.802 3.027 . 0 0 "[ . 1 . 2]" 1
134 1 12 MET QB 1 61 VAL MG2 . . 4.060 2.934 1.809 4.052 . 0 0 "[ . 1 . 2]" 1
135 1 12 MET ME 1 12 MET HG2 . . 3.980 2.964 2.069 3.392 . 0 0 "[ . 1 . 2]" 1
136 1 12 MET ME 1 12 MET QG . . 3.430 2.180 1.985 2.434 . 0 0 "[ . 1 . 2]" 1
137 1 12 MET ME 1 12 MET HG3 . . 3.980 2.406 2.017 3.379 . 0 0 "[ . 1 . 2]" 1
138 1 12 MET ME 1 13 THR H . . 4.140 3.308 2.317 4.076 . 0 0 "[ . 1 . 2]" 1
139 1 12 MET ME 1 13 THR MG . . 5.440 4.432 3.543 5.139 . 0 0 "[ . 1 . 2]" 1
140 1 12 MET ME 1 30 GLY HA2 . . 4.470 2.595 1.875 3.413 . 0 0 "[ . 1 . 2]" 1
141 1 12 MET ME 1 30 GLY QA . . 3.700 2.545 1.860 3.312 . 0 0 "[ . 1 . 2]" 1
142 1 12 MET ME 1 30 GLY HA3 . . 4.470 3.755 3.072 4.469 . 0 0 "[ . 1 . 2]" 1
143 1 12 MET ME 1 31 VAL H . . 4.370 3.136 2.286 4.042 . 0 0 "[ . 1 . 2]" 1
144 1 12 MET ME 1 31 VAL MG1 . . 5.230 4.413 3.939 4.887 . 0 0 "[ . 1 . 2]" 1
145 1 12 MET ME 1 31 VAL MG2 . . 5.500 4.284 3.575 5.026 . 0 0 "[ . 1 . 2]" 1
146 1 12 MET ME 1 32 GLU H . . 4.400 4.099 3.800 4.395 . 0 0 "[ . 1 . 2]" 1
147 1 12 MET ME 1 32 GLU HA . . 4.350 3.929 3.506 4.348 . 0 0 "[ . 1 . 2]" 1
148 1 12 MET ME 1 61 VAL QG . . 5.440 4.361 3.741 4.839 . 0 0 "[ . 1 . 2]" 1
149 1 12 MET QG 1 32 GLU HA . . 5.100 4.223 2.832 5.098 . 0 0 "[ . 1 . 2]" 1
150 1 12 MET QG 1 61 VAL QG . . 4.300 3.229 2.006 4.299 . 0 0 "[ . 1 . 2]" 1
151 1 12 MET HG2 1 13 THR H . . 5.500 4.365 3.481 4.971 . 0 0 "[ . 1 . 2]" 1
152 1 12 MET HG3 1 13 THR H . . 5.500 3.854 2.215 5.303 . 0 0 "[ . 1 . 2]" 1
153 1 13 THR H 1 13 THR HG1 . . 4.250 3.743 3.531 3.901 . 0 0 "[ . 1 . 2]" 1
154 1 13 THR H 1 13 THR MG . . 2.950 2.047 1.884 2.494 . 0 0 "[ . 1 . 2]" 1
155 1 13 THR H 1 14 CYS H . . 4.700 4.503 4.378 4.592 . 0 0 "[ . 1 . 2]" 1
156 1 13 THR H 1 30 GLY H . . 4.390 4.226 3.951 4.391 0.001 7 0 "[ . 1 . 2]" 1
157 1 13 THR H 1 31 VAL H . . 3.560 3.393 3.068 3.559 . 0 0 "[ . 1 . 2]" 1
158 1 13 THR H 1 31 VAL MG2 . . 4.270 3.804 3.607 4.035 . 0 0 "[ . 1 . 2]" 1
159 1 13 THR H 1 32 GLU HA . . 4.060 3.379 3.002 3.567 . 0 0 "[ . 1 . 2]" 1
160 1 13 THR H 1 33 VAL MG1 . . 5.160 4.498 4.218 4.943 . 0 0 "[ . 1 . 2]" 1
161 1 13 THR H 1 33 VAL MG2 . . 4.750 3.925 3.650 4.517 . 0 0 "[ . 1 . 2]" 1
162 1 13 THR H 1 60 LEU MD2 . . 5.500 4.101 3.726 4.753 . 0 0 "[ . 1 . 2]" 1
163 1 13 THR HB 1 14 CYS H . . 3.670 3.324 3.024 3.632 . 0 0 "[ . 1 . 2]" 1
164 1 13 THR HB 1 15 SER H . . 3.570 3.084 2.786 3.382 . 0 0 "[ . 1 . 2]" 1
165 1 13 THR HB 1 27 PHE QD . . 3.930 2.924 2.704 3.237 . 0 0 "[ . 1 . 2]" 1
166 1 13 THR HB 1 27 PHE QE . . 3.910 2.439 2.108 2.907 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR HB 1 29 ALA HA . . 4.020 3.537 3.366 3.699 . 0 0 "[ . 1 . 2]" 1
168 1 13 THR HB 1 30 GLY H . . 4.290 3.852 3.646 4.022 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR HB 1 31 VAL H . . 4.400 4.263 4.049 4.392 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR HB 1 31 VAL MG2 . . 4.650 3.786 3.555 4.013 . 0 0 "[ . 1 . 2]" 1
171 1 13 THR HB 1 60 LEU MD2 . . 4.570 3.959 3.442 4.532 . 0 0 "[ . 1 . 2]" 1
172 1 13 THR HG1 1 13 THR MG . . 3.380 2.650 2.400 2.856 . 0 0 "[ . 1 . 2]" 1
173 1 13 THR HG1 1 15 SER H . . 4.680 4.174 3.594 4.632 . 0 0 "[ . 1 . 2]" 1
174 1 13 THR HG1 1 27 PHE QD . . 4.050 3.008 2.581 3.340 . 0 0 "[ . 1 . 2]" 1
175 1 13 THR HG1 1 29 ALA H . . 4.750 4.578 4.387 4.752 0.002 19 0 "[ . 1 . 2]" 1
176 1 13 THR HG1 1 29 ALA HA . . 3.180 2.255 2.021 2.576 . 0 0 "[ . 1 . 2]" 1
177 1 13 THR HG1 1 29 ALA MB . . 4.400 3.919 3.718 4.206 . 0 0 "[ . 1 . 2]" 1
178 1 13 THR HG1 1 30 GLY H . . 3.380 2.015 1.900 2.322 . 0 0 "[ . 1 . 2]" 1
179 1 13 THR HG1 1 31 VAL H . . 3.100 2.538 2.185 2.793 . 0 0 "[ . 1 . 2]" 1
180 1 13 THR HG1 1 31 VAL MG2 . . 3.400 2.381 1.981 2.696 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR MG 1 14 CYS H . . 4.260 4.146 3.938 4.256 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR MG 1 15 SER H . . 4.890 4.543 4.263 4.768 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR MG 1 27 PHE HB2 . . 3.930 3.301 3.095 3.545 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR MG 1 27 PHE HB3 . . 4.710 4.263 4.107 4.474 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR MG 1 27 PHE QD . . 3.500 2.463 2.088 2.802 . 0 0 "[ . 1 . 2]" 1
186 1 13 THR MG 1 27 PHE QE . . 3.970 2.509 2.020 2.988 . 0 0 "[ . 1 . 2]" 1
187 1 13 THR MG 1 27 PHE HZ . . 4.640 3.535 3.152 3.903 . 0 0 "[ . 1 . 2]" 1
188 1 13 THR MG 1 29 ALA HA . . 4.550 4.455 4.304 4.552 0.002 20 0 "[ . 1 . 2]" 1
189 1 13 THR MG 1 30 GLY H . . 4.880 4.009 3.820 4.201 . 0 0 "[ . 1 . 2]" 1
190 1 13 THR MG 1 31 VAL H . . 4.070 3.404 3.149 3.700 . 0 0 "[ . 1 . 2]" 1
191 1 13 THR MG 1 31 VAL MG1 . . 5.140 4.562 4.364 4.850 . 0 0 "[ . 1 . 2]" 1
192 1 13 THR MG 1 33 VAL H . . 4.520 3.953 3.666 4.316 . 0 0 "[ . 1 . 2]" 1
193 1 13 THR MG 1 33 VAL HB . . 4.780 4.540 4.373 4.750 . 0 0 "[ . 1 . 2]" 1
194 1 13 THR MG 1 33 VAL MG1 . . 2.970 2.516 2.252 2.807 . 0 0 "[ . 1 . 2]" 1
195 1 13 THR MG 1 33 VAL MG2 . . 3.460 2.483 2.191 2.791 . 0 0 "[ . 1 . 2]" 1
196 1 13 THR MG 1 46 VAL MG1 . . 5.490 4.383 4.108 4.715 . 0 0 "[ . 1 . 2]" 1
197 1 13 THR MG 1 60 LEU MD2 . . 3.230 2.358 2.008 2.619 . 0 0 "[ . 1 . 2]" 1
198 1 13 THR MG 1 60 LEU HG . . 4.710 4.416 3.940 4.689 . 0 0 "[ . 1 . 2]" 1
199 1 14 CYS H 1 14 CYS HB2 . . 4.060 3.012 2.232 3.721 . 0 0 "[ . 1 . 2]" 1
200 1 14 CYS H 1 14 CYS QB . . 3.470 2.456 2.208 2.802 . 0 0 "[ . 1 . 2]" 1
201 1 14 CYS H 1 14 CYS HB3 . . 4.060 2.695 2.444 3.501 . 0 0 "[ . 1 . 2]" 1
202 1 14 CYS H 1 15 SER H . . 2.860 2.173 1.921 2.356 . 0 0 "[ . 1 . 2]" 1
203 1 14 CYS H 1 15 SER QB . . 4.830 4.254 3.914 4.698 . 0 0 "[ . 1 . 2]" 1
204 1 14 CYS H 1 29 ALA HA . . 5.290 5.094 4.568 5.292 0.002 11 0 "[ . 1 . 2]" 1
205 1 14 CYS H 1 29 ALA MB . . 5.450 5.025 4.456 5.267 . 0 0 "[ . 1 . 2]" 1
206 1 14 CYS H 1 59 TYR HA . . 4.820 4.402 3.993 4.790 . 0 0 "[ . 1 . 2]" 1
207 1 14 CYS H 1 59 TYR HB3 . . 5.220 4.149 3.670 4.569 . 0 0 "[ . 1 . 2]" 1
208 1 14 CYS H 1 60 LEU MD2 . . 4.910 4.492 4.098 4.868 . 0 0 "[ . 1 . 2]" 1
209 1 14 CYS H 1 61 VAL H . . 4.470 4.232 3.811 4.472 0.002 3 0 "[ . 1 . 2]" 1
210 1 14 CYS H 1 61 VAL QG . . 4.340 3.155 2.681 4.136 . 0 0 "[ . 1 . 2]" 1
211 1 14 CYS QB 1 15 SER H . . 3.780 3.336 2.937 3.763 . 0 0 "[ . 1 . 2]" 1
212 1 14 CYS QB 1 61 VAL HA . . 4.880 4.589 4.051 4.880 . 2 0 "[ . 1 . 2]" 1
213 1 14 CYS QB 1 61 VAL QG . . 3.130 2.180 1.826 3.128 . 0 0 "[ . 1 . 2]" 1
214 1 14 CYS HB2 1 15 SER H . . 4.320 4.135 3.193 4.320 0.000 8 0 "[ . 1 . 2]" 1
215 1 14 CYS HB3 1 15 SER H . . 4.320 3.581 3.040 4.230 . 0 0 "[ . 1 . 2]" 1
216 1 15 SER H 1 15 SER HB2 . . 3.960 3.034 2.653 3.835 . 0 0 "[ . 1 . 2]" 1
217 1 15 SER H 1 15 SER QB . . 3.180 2.789 2.596 3.184 0.004 18 0 "[ . 1 . 2]" 1
218 1 15 SER H 1 15 SER HB3 . . 3.960 3.477 2.999 3.830 . 0 0 "[ . 1 . 2]" 1
219 1 15 SER H 1 16 ALA H . . 4.690 4.376 4.240 4.453 . 0 0 "[ . 1 . 2]" 1
220 1 15 SER H 1 27 PHE QE . . 4.380 4.243 4.051 4.381 0.001 7 0 "[ . 1 . 2]" 1
221 1 15 SER H 1 29 ALA HA . . 4.080 3.839 3.494 4.033 . 0 0 "[ . 1 . 2]" 1
222 1 15 SER H 1 29 ALA MB . . 4.060 3.621 3.320 3.812 . 0 0 "[ . 1 . 2]" 1
223 1 15 SER H 1 59 TYR HA . . 4.740 4.432 4.156 4.696 . 0 0 "[ . 1 . 2]" 1
224 1 15 SER H 1 59 TYR HB3 . . 4.920 3.725 3.466 4.040 . 0 0 "[ . 1 . 2]" 1
225 1 15 SER H 1 59 TYR QD . . 4.510 4.056 3.488 4.352 . 0 0 "[ . 1 . 2]" 1
226 1 15 SER HA 1 16 ALA H . . 2.680 2.344 2.160 2.529 . 0 0 "[ . 1 . 2]" 1
227 1 15 SER HA 1 29 ALA HA . . 4.530 3.786 3.454 4.208 . 0 0 "[ . 1 . 2]" 1
228 1 15 SER HA 1 29 ALA MB . . 3.100 2.164 1.992 2.405 . 0 0 "[ . 1 . 2]" 1
229 1 15 SER QB 1 16 ALA H . . 3.360 2.852 2.254 3.250 . 0 0 "[ . 1 . 2]" 1
230 1 15 SER QB 1 16 ALA MB . . 4.880 4.281 3.927 4.595 . 0 0 "[ . 1 . 2]" 1
231 1 15 SER QB 1 29 ALA MB . . 4.260 3.895 3.693 4.212 . 0 0 "[ . 1 . 2]" 1
232 1 15 SER QB 1 59 TYR HA . . 4.400 3.657 3.005 4.121 . 0 0 "[ . 1 . 2]" 1
233 1 15 SER QB 1 59 TYR QD . . 3.660 2.742 2.302 3.124 . 0 0 "[ . 1 . 2]" 1
234 1 15 SER QB 1 59 TYR QE . . 3.890 3.322 2.996 3.579 . 0 0 "[ . 1 . 2]" 1
235 1 15 SER HB2 1 29 ALA MB . . 4.860 4.460 4.091 4.830 . 0 0 "[ . 1 . 2]" 1
236 1 15 SER HB2 1 59 TYR HA . . 5.280 4.026 3.061 4.911 . 0 0 "[ . 1 . 2]" 1
237 1 15 SER HB2 1 59 TYR QD . . 4.190 3.483 2.337 4.189 . 0 0 "[ . 1 . 2]" 1
238 1 15 SER HB3 1 29 ALA MB . . 4.860 4.322 4.072 4.773 . 0 0 "[ . 1 . 2]" 1
239 1 15 SER HB3 1 59 TYR HA . . 5.280 4.587 4.041 5.102 . 0 0 "[ . 1 . 2]" 1
240 1 15 SER HB3 1 59 TYR QD . . 4.190 3.121 2.318 4.188 . 0 0 "[ . 1 . 2]" 1
241 1 16 ALA H 1 16 ALA MB . . 2.840 2.199 2.078 2.302 . 0 0 "[ . 1 . 2]" 1
242 1 16 ALA H 1 29 ALA HA . . 4.850 4.298 3.741 4.667 . 0 0 "[ . 1 . 2]" 1
243 1 16 ALA H 1 29 ALA MB . . 3.320 2.508 2.001 3.016 . 0 0 "[ . 1 . 2]" 1
244 1 16 ALA HA 1 17 TYR H . . 2.750 2.148 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA HA 1 27 PHE H . . 4.860 4.463 4.173 4.820 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA HA 1 27 PHE QD . . 3.970 3.498 3.152 3.940 . 0 0 "[ . 1 . 2]" 1
247 1 16 ALA HA 1 29 ALA H . . 4.140 3.910 3.759 4.030 . 0 0 "[ . 1 . 2]" 1
248 1 16 ALA HA 1 29 ALA HA . . 4.850 3.734 3.355 4.011 . 0 0 "[ . 1 . 2]" 1
249 1 16 ALA MB 1 17 TYR H . . 3.370 3.226 3.003 3.356 . 0 0 "[ . 1 . 2]" 1
250 1 16 ALA MB 1 27 PHE H . . 5.090 4.694 4.415 5.061 . 0 0 "[ . 1 . 2]" 1
251 1 16 ALA MB 1 27 PHE QD . . 5.270 4.700 4.413 5.057 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA MB 1 28 PRO HB2 . . 4.730 4.579 4.346 4.731 0.001 20 0 "[ . 1 . 2]" 1
253 1 16 ALA MB 1 28 PRO HB3 . . 4.660 4.361 4.134 4.554 . 0 0 "[ . 1 . 2]" 1
254 1 16 ALA MB 1 29 ALA H . . 3.250 2.929 2.578 3.138 . 0 0 "[ . 1 . 2]" 1
255 1 16 ALA MB 1 29 ALA HA . . 4.890 4.086 3.648 4.314 . 0 0 "[ . 1 . 2]" 1
256 1 17 TYR H 1 17 TYR HB2 . . 3.780 3.116 2.956 3.319 . 0 0 "[ . 1 . 2]" 1
257 1 17 TYR H 1 17 TYR HB3 . . 3.550 2.319 2.262 2.473 . 0 0 "[ . 1 . 2]" 1
258 1 17 TYR H 1 17 TYR QD . . 4.430 3.905 3.715 4.058 . 0 0 "[ . 1 . 2]" 1
259 1 17 TYR H 1 18 GLN H . . 4.750 4.533 4.439 4.588 . 0 0 "[ . 1 . 2]" 1
260 1 17 TYR H 1 27 PHE QD . . 3.690 3.305 3.019 3.685 . 0 0 "[ . 1 . 2]" 1
261 1 17 TYR H 1 27 PHE QE . . 4.350 3.434 3.138 3.801 . 0 0 "[ . 1 . 2]" 1
262 1 17 TYR HA 1 17 TYR QD . . 3.700 3.138 2.848 3.300 . 0 0 "[ . 1 . 2]" 1
263 1 17 TYR HA 1 18 GLN H . . 2.900 2.232 2.145 2.337 . 0 0 "[ . 1 . 2]" 1
264 1 17 TYR HA 1 18 GLN QB . . 4.590 4.020 3.922 4.216 . 0 0 "[ . 1 . 2]" 1
265 1 17 TYR HA 1 59 TYR QD . . 5.100 3.352 2.941 3.712 . 0 0 "[ . 1 . 2]" 1
266 1 17 TYR HA 1 59 TYR QE . . 3.880 2.692 2.049 3.137 . 0 0 "[ . 1 . 2]" 1
267 1 17 TYR HB2 1 18 GLN H . . 4.520 3.820 3.656 4.021 . 0 0 "[ . 1 . 2]" 1
268 1 17 TYR HB2 1 27 PHE H . . 5.060 4.894 4.636 5.060 0.000 7 0 "[ . 1 . 2]" 1
269 1 17 TYR HB2 1 27 PHE QE . . 4.290 3.527 3.067 3.890 . 0 0 "[ . 1 . 2]" 1
270 1 17 TYR HB2 1 27 PHE HZ . . 4.630 3.383 2.857 3.826 . 0 0 "[ . 1 . 2]" 1
271 1 17 TYR HB2 1 59 TYR QD . . 4.850 2.665 2.203 3.100 . 0 0 "[ . 1 . 2]" 1
272 1 17 TYR HB3 1 18 GLN H . . 4.760 4.145 3.925 4.399 . 0 0 "[ . 1 . 2]" 1
273 1 17 TYR HB3 1 27 PHE H . . 3.920 3.212 2.920 3.406 . 0 0 "[ . 1 . 2]" 1
274 1 17 TYR HB3 1 27 PHE QD . . 4.860 3.705 3.489 3.887 . 0 0 "[ . 1 . 2]" 1
275 1 17 TYR HB3 1 27 PHE QE . . 4.360 2.952 2.561 3.095 . 0 0 "[ . 1 . 2]" 1
276 1 17 TYR HB3 1 27 PHE HZ . . 4.350 2.962 2.781 3.224 . 0 0 "[ . 1 . 2]" 1
277 1 17 TYR HB3 1 59 TYR QD . . 4.930 3.915 3.457 4.385 . 0 0 "[ . 1 . 2]" 1
278 1 17 TYR QD 1 27 PHE H . . 4.490 2.998 2.821 3.170 . 0 0 "[ . 1 . 2]" 1
279 1 17 TYR QD 1 56 PRO HD2 . . 4.150 2.653 2.382 3.141 . 0 0 "[ . 1 . 2]" 1
280 1 17 TYR QD 1 56 PRO HG2 . . 4.150 3.260 2.985 3.563 . 0 0 "[ . 1 . 2]" 1
281 1 17 TYR QD 1 56 PRO HG3 . . 4.510 2.922 2.356 3.438 . 0 0 "[ . 1 . 2]" 1
282 1 17 TYR QE 1 19 LYS H . . 4.370 3.846 3.256 4.252 . 0 0 "[ . 1 . 2]" 1
283 1 17 TYR QE 1 19 LYS HA . . 3.290 2.335 2.110 2.545 . 0 0 "[ . 1 . 2]" 1
284 1 17 TYR QE 1 19 LYS HB2 . . 4.890 3.817 3.332 4.225 . 0 0 "[ . 1 . 2]" 1
285 1 17 TYR QE 1 20 VAL H . . 4.210 4.042 3.662 4.212 0.002 4 0 "[ . 1 . 2]" 1
286 1 17 TYR QE 1 20 VAL QG . . 4.620 4.156 3.387 4.592 . 0 0 "[ . 1 . 2]" 1
287 1 17 TYR QE 1 24 GLU HB2 . . 4.130 3.917 3.776 4.139 0.009 18 0 "[ . 1 . 2]" 1
288 1 17 TYR QE 1 24 GLU HB3 . . 3.660 2.591 2.362 2.779 . 0 0 "[ . 1 . 2]" 1
289 1 17 TYR QE 1 24 GLU HG2 . . 5.500 4.104 3.675 4.484 . 0 0 "[ . 1 . 2]" 1
290 1 17 TYR QE 1 24 GLU QG . . 4.740 3.908 3.472 4.286 . 0 0 "[ . 1 . 2]" 1
291 1 17 TYR QE 1 24 GLU HG3 . . 5.500 4.941 4.269 5.445 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR QE 1 25 ILE H . . 3.960 3.088 2.876 3.288 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR QE 1 25 ILE MD . . 4.570 4.517 4.417 4.571 0.001 4 0 "[ . 1 . 2]" 1
294 1 17 TYR QE 1 43 TRP HH2 . . 3.640 2.381 2.000 2.970 . 0 0 "[ . 1 . 2]" 1
295 1 17 TYR QE 1 55 ALA HA . . 4.910 3.458 3.219 3.782 . 0 0 "[ . 1 . 2]" 1
296 1 17 TYR QE 1 56 PRO HD2 . . 4.540 3.190 3.012 3.567 . 0 0 "[ . 1 . 2]" 1
297 1 17 TYR QE 1 56 PRO HD3 . . 3.930 2.338 2.113 2.744 . 0 0 "[ . 1 . 2]" 1
298 1 17 TYR QE 1 56 PRO HG2 . . 4.380 4.307 4.043 4.377 . 0 0 "[ . 1 . 2]" 1
299 1 17 TYR QE 1 56 PRO HG3 . . 5.100 3.165 2.890 3.312 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLN H 1 18 GLN QB . . 3.220 2.453 2.317 2.757 . 0 0 "[ . 1 . 2]" 1
301 1 18 GLN H 1 18 GLN HG2 . . 5.430 4.152 2.320 4.870 . 0 0 "[ . 1 . 2]" 1
302 1 18 GLN H 1 18 GLN QG . . 4.650 3.740 2.255 4.219 . 0 0 "[ . 1 . 2]" 1
303 1 18 GLN H 1 18 GLN HG3 . . 5.430 4.331 2.937 4.903 . 0 0 "[ . 1 . 2]" 1
304 1 18 GLN HA 1 19 LYS H . . 2.730 2.192 2.138 2.286 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLN HA 1 19 LYS HB3 . . 4.900 4.579 4.407 4.782 . 0 0 "[ . 1 . 2]" 1
306 1 18 GLN HA 1 19 LYS QG . . 4.510 3.808 3.611 4.068 . 0 0 "[ . 1 . 2]" 1
307 1 18 GLN HA 1 26 SER HA . . 4.240 3.484 3.055 3.896 . 0 0 "[ . 1 . 2]" 1
308 1 18 GLN HA 1 26 SER HB2 . . 4.370 2.644 2.220 3.671 . 0 0 "[ . 1 . 2]" 1
309 1 18 GLN HA 1 26 SER QB . . 3.630 2.188 1.945 2.588 . 0 0 "[ . 1 . 2]" 1
310 1 18 GLN HA 1 26 SER HB3 . . 4.370 2.403 1.995 2.972 . 0 0 "[ . 1 . 2]" 1
311 1 18 GLN HA 1 27 PHE H . . 4.920 4.698 4.351 4.921 0.001 15 0 "[ . 1 . 2]" 1
312 1 18 GLN QB 1 19 LYS H . . 4.070 3.498 2.728 3.841 . 0 0 "[ . 1 . 2]" 1
313 1 18 GLN QB 1 26 SER QB . . 4.810 3.894 3.357 4.349 . 0 0 "[ . 1 . 2]" 1
314 1 18 GLN QE 1 19 LYS H . . 4.910 3.736 2.208 4.678 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLN QE 1 19 LYS QG . . 4.450 3.754 2.231 4.445 . 0 0 "[ . 1 . 2]" 1
316 1 18 GLN QG 1 19 LYS H . . 3.860 2.925 2.318 3.819 . 0 0 "[ . 1 . 2]" 1
317 1 18 GLN QG 1 26 SER QB . . 4.760 3.722 2.985 4.770 0.010 7 0 "[ . 1 . 2]" 1
318 1 19 LYS H 1 19 LYS HB3 . . 3.290 2.764 2.517 3.040 . 0 0 "[ . 1 . 2]" 1
319 1 19 LYS H 1 19 LYS QD . . 4.560 3.813 3.578 4.077 . 0 0 "[ . 1 . 2]" 1
320 1 19 LYS H 1 19 LYS HG2 . . 3.750 2.541 1.951 3.268 . 0 0 "[ . 1 . 2]" 1
321 1 19 LYS H 1 19 LYS QG . . 3.000 2.014 1.902 2.239 . 0 0 "[ . 1 . 2]" 1
322 1 19 LYS H 1 19 LYS HG3 . . 3.750 2.439 1.916 3.246 . 0 0 "[ . 1 . 2]" 1
323 1 19 LYS H 1 26 SER H . . 5.500 3.977 3.673 4.248 . 0 0 "[ . 1 . 2]" 1
324 1 19 LYS H 1 26 SER HB2 . . 4.580 3.382 2.807 3.807 . 0 0 "[ . 1 . 2]" 1
325 1 19 LYS H 1 26 SER QB . . 3.830 1.965 1.890 2.837 . 0 0 "[ . 1 . 2]" 1
326 1 19 LYS H 1 26 SER HB3 . . 4.580 1.981 1.900 2.927 . 0 0 "[ . 1 . 2]" 1
327 1 19 LYS HA 1 20 VAL H . . 2.760 2.192 2.141 2.312 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS HA 1 21 GLN H . . 4.360 3.892 3.402 4.361 0.001 19 0 "[ . 1 . 2]" 1
329 1 19 LYS HA 1 24 GLU HB2 . . 4.060 3.059 2.778 3.443 . 0 0 "[ . 1 . 2]" 1
330 1 19 LYS HA 1 24 GLU HB3 . . 4.140 2.823 2.380 3.302 . 0 0 "[ . 1 . 2]" 1
331 1 19 LYS HA 1 24 GLU QG . . 5.040 4.132 3.642 4.702 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS HB2 1 19 LYS HD2 . . 3.980 2.943 2.471 3.587 . 0 0 "[ . 1 . 2]" 1
333 1 19 LYS HB2 1 19 LYS HD3 . . 3.980 3.197 2.335 3.742 . 0 0 "[ . 1 . 2]" 1
334 1 19 LYS HB2 1 19 LYS HE2 . . 4.640 2.655 2.013 3.377 . 0 0 "[ . 1 . 2]" 1
335 1 19 LYS HB2 1 19 LYS QE . . 3.760 2.200 1.977 2.429 . 0 0 "[ . 1 . 2]" 1
336 1 19 LYS HB2 1 19 LYS HE3 . . 4.640 2.907 1.999 3.534 . 0 0 "[ . 1 . 2]" 1
337 1 19 LYS HB2 1 20 VAL H . . 3.840 3.169 2.669 3.831 . 0 0 "[ . 1 . 2]" 1
338 1 19 LYS HB2 1 21 GLN H . . 4.350 3.382 2.873 3.976 . 0 0 "[ . 1 . 2]" 1
339 1 19 LYS HB2 1 24 GLU H . . 4.710 4.014 3.777 4.306 . 0 0 "[ . 1 . 2]" 1
340 1 19 LYS HB2 1 24 GLU HB2 . . 3.650 2.440 2.044 2.802 . 0 0 "[ . 1 . 2]" 1
341 1 19 LYS HB2 1 24 GLU HB3 . . 4.120 3.063 2.797 3.370 . 0 0 "[ . 1 . 2]" 1
342 1 19 LYS HB2 1 25 ILE H . . 4.440 3.924 3.468 4.143 . 0 0 "[ . 1 . 2]" 1
343 1 19 LYS HB3 1 19 LYS QD . . 3.670 2.846 2.366 3.438 . 0 0 "[ . 1 . 2]" 1
344 1 19 LYS HB3 1 19 LYS HE2 . . 4.680 3.962 3.244 4.686 0.006 17 0 "[ . 1 . 2]" 1
345 1 19 LYS HB3 1 19 LYS QE . . 4.040 3.366 3.108 3.574 . 0 0 "[ . 1 . 2]" 1
346 1 19 LYS HB3 1 19 LYS HE3 . . 4.680 3.910 3.244 4.499 . 0 0 "[ . 1 . 2]" 1
347 1 19 LYS HB3 1 20 VAL H . . 4.530 4.114 3.826 4.399 . 0 0 "[ . 1 . 2]" 1
348 1 19 LYS HB3 1 24 GLU HB2 . . 4.080 3.513 2.832 4.077 . 0 0 "[ . 1 . 2]" 1
349 1 19 LYS HB3 1 24 GLU HB3 . . 4.600 3.205 2.773 3.929 . 0 0 "[ . 1 . 2]" 1
350 1 19 LYS HB3 1 25 ILE H . . 4.050 3.260 2.979 3.727 . 0 0 "[ . 1 . 2]" 1
351 1 19 LYS HB3 1 26 SER H . . 3.370 2.889 2.591 3.259 . 0 0 "[ . 1 . 2]" 1
352 1 19 LYS QD 1 22 ASP HA . . 4.420 4.222 3.933 4.420 . 0 0 "[ . 1 . 2]" 1
353 1 19 LYS HD2 1 22 ASP HA . . 5.190 4.708 4.199 5.126 . 0 0 "[ . 1 . 2]" 1
354 1 19 LYS HD2 1 25 ILE HA . . 5.080 3.247 2.008 5.084 0.004 14 0 "[ . 1 . 2]" 1
355 1 19 LYS HD3 1 22 ASP HA . . 5.190 4.839 4.517 5.181 . 0 0 "[ . 1 . 2]" 1
356 1 19 LYS HD3 1 25 ILE HA . . 5.080 4.191 3.301 5.064 . 0 0 "[ . 1 . 2]" 1
357 1 19 LYS QE 1 19 LYS QG . . 3.300 2.319 2.086 2.601 . 0 0 "[ . 1 . 2]" 1
358 1 19 LYS QE 1 22 ASP HA . . 3.440 2.519 2.081 3.279 . 0 0 "[ . 1 . 2]" 1
359 1 19 LYS QE 1 24 GLU H . . 4.720 3.986 3.696 4.257 . 0 0 "[ . 1 . 2]" 1
360 1 19 LYS QE 1 24 GLU HB3 . . 5.030 4.679 4.362 4.952 . 0 0 "[ . 1 . 2]" 1
361 1 19 LYS QE 1 25 ILE H . . 5.340 5.060 4.622 5.340 . 0 0 "[ . 1 . 2]" 1
362 1 19 LYS HE2 1 22 ASP HA . . 4.080 3.072 2.391 3.996 . 0 0 "[ . 1 . 2]" 1
363 1 19 LYS HE3 1 22 ASP HA . . 4.080 2.908 2.125 3.680 . 0 0 "[ . 1 . 2]" 1
364 1 19 LYS QG 1 26 SER H . . 3.870 2.736 2.195 3.657 . 0 0 "[ . 1 . 2]" 1
365 1 20 VAL H 1 20 VAL HB . . 3.650 2.880 2.472 3.666 0.016 12 0 "[ . 1 . 2]" 1
366 1 20 VAL H 1 20 VAL MG1 . . 4.080 2.638 1.880 3.848 . 0 0 "[ . 1 . 2]" 1
367 1 20 VAL H 1 20 VAL QG . . 3.230 2.110 1.843 2.676 . 0 0 "[ . 1 . 2]" 1
368 1 20 VAL H 1 20 VAL MG2 . . 4.080 3.134 1.891 3.882 . 0 0 "[ . 1 . 2]" 1
369 1 20 VAL H 1 21 GLN H . . 3.190 2.245 1.877 2.652 . 0 0 "[ . 1 . 2]" 1
370 1 20 VAL H 1 21 GLN QG . . 5.340 4.431 3.736 5.082 . 0 0 "[ . 1 . 2]" 1
371 1 20 VAL H 1 24 GLU HB2 . . 4.150 2.783 2.325 3.645 . 0 0 "[ . 1 . 2]" 1
372 1 20 VAL H 1 24 GLU HB3 . . 4.370 3.497 2.842 4.141 . 0 0 "[ . 1 . 2]" 1
373 1 20 VAL H 1 24 GLU QG . . 5.340 3.752 2.829 4.906 . 0 0 "[ . 1 . 2]" 1
374 1 20 VAL HA 1 20 VAL MG1 . . 3.340 2.808 2.116 3.204 . 0 0 "[ . 1 . 2]" 1
375 1 20 VAL HA 1 20 VAL QG . . 2.920 2.184 2.025 2.304 . 0 0 "[ . 1 . 2]" 1
376 1 20 VAL HA 1 20 VAL MG2 . . 3.340 2.430 2.189 3.200 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL HB 1 21 GLN H . . 4.130 3.585 2.319 4.109 . 0 0 "[ . 1 . 2]" 1
378 1 20 VAL QG 1 21 GLN QE . . 4.480 3.410 2.263 4.480 . 0 0 "[ . 1 . 2]" 1
379 1 20 VAL QG 1 21 GLN QG . . 3.590 2.183 1.865 3.066 . 0 0 "[ . 1 . 2]" 1
380 1 20 VAL MG1 1 21 GLN H . . 4.440 2.840 1.859 4.242 . 0 0 "[ . 1 . 2]" 1
381 1 20 VAL MG1 1 21 GLN HG2 . . 4.930 3.031 1.982 4.930 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL MG1 1 21 GLN HG3 . . 4.930 3.235 2.080 4.740 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL MG2 1 21 GLN H . . 4.440 3.514 1.983 4.013 . 0 0 "[ . 1 . 2]" 1
384 1 20 VAL MG2 1 21 GLN HG2 . . 4.930 3.598 2.399 4.935 0.005 18 0 "[ . 1 . 2]" 1
385 1 20 VAL MG2 1 21 GLN HG3 . . 4.930 3.723 1.947 4.890 . 0 0 "[ . 1 . 2]" 1
386 1 21 GLN H 1 21 GLN HB2 . . 3.960 2.627 2.350 2.914 . 0 0 "[ . 1 . 2]" 1
387 1 21 GLN H 1 21 GLN HG2 . . 4.430 3.439 2.474 4.325 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLN H 1 21 GLN HG3 . . 4.430 3.531 2.666 4.418 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLN H 1 24 GLU HB2 . . 4.470 2.465 2.102 2.765 . 0 0 "[ . 1 . 2]" 1
390 1 21 GLN H 1 24 GLU HB3 . . 4.900 4.032 3.613 4.275 . 0 0 "[ . 1 . 2]" 1
391 1 21 GLN HB2 1 23 SER H . . 4.570 3.182 2.585 3.859 . 0 0 "[ . 1 . 2]" 1
392 1 21 GLN HB2 1 24 GLU H . . 5.060 2.933 2.581 3.450 . 0 0 "[ . 1 . 2]" 1
393 1 21 GLN HB2 1 24 GLU HG2 . . 5.130 4.641 3.916 5.067 . 0 0 "[ . 1 . 2]" 1
394 1 21 GLN HB2 1 24 GLU QG . . 4.420 3.634 2.817 4.440 0.020 18 0 "[ . 1 . 2]" 1
395 1 21 GLN HB2 1 24 GLU HG3 . . 5.130 4.006 2.850 5.155 0.025 18 0 "[ . 1 . 2]" 1
396 1 21 GLN HB3 1 22 ASP H . . 4.800 2.611 2.272 2.981 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLN HB3 1 23 SER H . . 4.400 2.742 2.417 3.132 . 0 0 "[ . 1 . 2]" 1
398 1 22 ASP HA 1 24 GLU H . . 4.810 4.432 3.943 4.686 . 0 0 "[ . 1 . 2]" 1
399 1 22 ASP QB 1 23 SER H . . 4.180 2.995 2.638 3.599 . 0 0 "[ . 1 . 2]" 1
400 1 23 SER H 1 23 SER QB . . 3.660 2.408 2.224 2.812 . 0 0 "[ . 1 . 2]" 1
401 1 23 SER H 1 24 GLU H . . 4.080 2.677 2.541 2.786 . 0 0 "[ . 1 . 2]" 1
402 1 23 SER HA 1 54 TRP HD1 . . 5.500 5.448 5.328 5.501 0.001 19 0 "[ . 1 . 2]" 1
403 1 23 SER QB 1 54 TRP HD1 . . 3.430 3.129 2.951 3.258 . 0 0 "[ . 1 . 2]" 1
404 1 23 SER QB 1 54 TRP HE1 . . 4.260 4.029 3.771 4.261 0.001 16 0 "[ . 1 . 2]" 1
405 1 24 GLU H 1 24 GLU HB2 . . 3.710 2.407 2.219 2.542 . 0 0 "[ . 1 . 2]" 1
406 1 24 GLU H 1 24 GLU HB3 . . 4.180 3.586 3.515 3.623 . 0 0 "[ . 1 . 2]" 1
407 1 24 GLU H 1 24 GLU HG2 . . 4.440 3.858 3.614 4.172 . 0 0 "[ . 1 . 2]" 1
408 1 24 GLU H 1 24 GLU QG . . 3.830 2.800 2.201 3.538 . 0 0 "[ . 1 . 2]" 1
409 1 24 GLU H 1 24 GLU HG3 . . 4.440 2.921 2.219 3.965 . 0 0 "[ . 1 . 2]" 1
410 1 24 GLU H 1 25 ILE H . . 5.030 4.609 4.574 4.634 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLU HA 1 24 GLU QG . . 3.660 2.398 2.255 2.519 . 0 0 "[ . 1 . 2]" 1
412 1 24 GLU HA 1 25 ILE H . . 3.280 2.412 2.365 2.466 . 0 0 "[ . 1 . 2]" 1
413 1 24 GLU HA 1 25 ILE MD . . 5.420 5.411 5.370 5.429 0.009 8 0 "[ . 1 . 2]" 1
414 1 24 GLU HA 1 53 GLY HA2 . . 4.380 2.277 2.147 2.506 . 0 0 "[ . 1 . 2]" 1
415 1 24 GLU HA 1 53 GLY HA3 . . 4.580 2.206 2.131 2.307 . 0 0 "[ . 1 . 2]" 1
416 1 24 GLU HA 1 54 TRP H . . 3.010 2.173 2.059 2.285 . 0 0 "[ . 1 . 2]" 1
417 1 24 GLU HA 1 54 TRP HB2 . . 4.200 4.166 4.079 4.202 0.002 16 0 "[ . 1 . 2]" 1
418 1 24 GLU HA 1 54 TRP HD1 . . 4.900 3.920 3.686 4.263 . 0 0 "[ . 1 . 2]" 1
419 1 24 GLU HB2 1 25 ILE H . . 3.780 3.658 3.478 3.779 . 0 0 "[ . 1 . 2]" 1
420 1 24 GLU HB3 1 25 ILE H . . 3.150 2.410 2.284 2.516 . 0 0 "[ . 1 . 2]" 1
421 1 24 GLU HB3 1 25 ILE MD . . 5.500 5.397 5.301 5.484 . 0 0 "[ . 1 . 2]" 1
422 1 24 GLU HB3 1 43 TRP HZ3 . . 4.740 4.592 4.228 4.740 0.000 18 0 "[ . 1 . 2]" 1
423 1 24 GLU HB3 1 54 TRP H . . 4.670 3.504 3.098 3.992 . 0 0 "[ . 1 . 2]" 1
424 1 24 GLU HB3 1 54 TRP HB2 . . 5.440 4.586 4.329 4.942 . 0 0 "[ . 1 . 2]" 1
425 1 24 GLU QG 1 25 ILE H . . 4.130 3.713 3.323 3.958 . 0 0 "[ . 1 . 2]" 1
426 1 24 GLU QG 1 43 TRP HZ3 . . 4.310 3.539 2.700 4.019 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLU QG 1 54 TRP H . . 4.160 2.094 1.890 2.564 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLU QG 1 54 TRP HB2 . . 4.030 2.288 2.154 2.610 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLU QG 1 54 TRP HB3 . . 4.560 3.756 3.567 4.011 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLU HG2 1 25 ILE H . . 4.860 4.217 3.825 4.661 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLU HG2 1 54 TRP H . . 4.750 2.901 1.925 3.812 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLU HG2 1 54 TRP HB2 . . 4.690 2.790 2.223 3.566 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLU HG3 1 25 ILE H . . 4.860 4.287 3.483 4.778 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLU HG3 1 54 TRP H . . 4.750 2.548 1.901 3.356 . 0 0 "[ . 1 . 2]" 1
435 1 24 GLU HG3 1 54 TRP HB2 . . 4.690 2.772 2.188 3.490 . 0 0 "[ . 1 . 2]" 1
436 1 25 ILE H 1 25 ILE HB . . 3.870 3.528 3.473 3.570 . 0 0 "[ . 1 . 2]" 1
437 1 25 ILE H 1 25 ILE MD . . 3.470 3.489 3.478 3.496 0.026 19 0 "[ . 1 . 2]" 1
438 1 25 ILE H 1 25 ILE HG12 . . 4.610 4.505 4.491 4.516 . 0 0 "[ . 1 . 2]" 1
439 1 25 ILE H 1 25 ILE MG . . 4.790 1.998 1.915 2.072 . 0 0 "[ . 1 . 2]" 1
440 1 25 ILE H 1 26 SER H . . 5.320 4.348 4.321 4.382 . 0 0 "[ . 1 . 2]" 1
441 1 25 ILE H 1 53 GLY HA3 . . 4.770 2.153 2.033 2.277 . 0 0 "[ . 1 . 2]" 1
442 1 25 ILE H 1 54 TRP H . . 4.320 3.645 3.421 3.914 . 0 0 "[ . 1 . 2]" 1
443 1 25 ILE H 1 55 ALA MB . . 4.770 4.755 4.643 4.773 0.003 8 0 "[ . 1 . 2]" 1
444 1 25 ILE HA 1 25 ILE MD . . 3.870 3.514 3.497 3.530 . 0 0 "[ . 1 . 2]" 1
445 1 25 ILE HA 1 25 ILE HG12 . . 3.670 2.649 2.642 2.659 . 0 0 "[ . 1 . 2]" 1
446 1 25 ILE HA 1 25 ILE HG13 . . 3.980 3.704 3.698 3.712 . 0 0 "[ . 1 . 2]" 1
447 1 25 ILE HA 1 26 SER H . . 2.960 2.206 2.196 2.229 . 0 0 "[ . 1 . 2]" 1
448 1 25 ILE HB 1 25 ILE MD . . 3.250 3.186 3.184 3.189 . 0 0 "[ . 1 . 2]" 1
449 1 25 ILE HB 1 26 SER H . . 4.200 3.808 3.759 3.831 . 0 0 "[ . 1 . 2]" 1
450 1 25 ILE HB 1 53 GLY H . . 4.750 4.724 4.640 4.768 0.018 14 0 "[ . 1 . 2]" 1
451 1 25 ILE HB 1 53 GLY HA2 . . 5.090 4.855 4.807 4.980 . 0 0 "[ . 1 . 2]" 1
452 1 25 ILE HB 1 53 GLY HA3 . . 3.960 3.789 3.728 3.881 . 0 0 "[ . 1 . 2]" 1
453 1 25 ILE MD 1 26 SER H . . 4.100 3.093 3.026 3.156 . 0 0 "[ . 1 . 2]" 1
454 1 25 ILE MD 1 27 PHE HA . . 4.610 3.059 2.969 3.143 . 0 0 "[ . 1 . 2]" 1
455 1 25 ILE MD 1 27 PHE HB2 . . 4.850 3.806 3.656 3.867 . 0 0 "[ . 1 . 2]" 1
456 1 25 ILE MD 1 27 PHE QD . . 3.530 1.979 1.925 2.024 . 0 0 "[ . 1 . 2]" 1
457 1 25 ILE MD 1 27 PHE QE . . 3.690 3.508 3.400 3.606 . 0 0 "[ . 1 . 2]" 1
458 1 25 ILE MD 1 33 VAL MG1 . . 4.430 3.974 3.757 4.114 . 0 0 "[ . 1 . 2]" 1
459 1 25 ILE MD 1 48 PHE H . . 4.280 3.825 3.675 3.914 . 0 0 "[ . 1 . 2]" 1
460 1 25 ILE MD 1 48 PHE HB2 . . 4.650 2.423 2.071 2.627 . 0 0 "[ . 1 . 2]" 1
461 1 25 ILE MD 1 53 GLY H . . 4.570 4.278 4.132 4.370 . 0 0 "[ . 1 . 2]" 1
462 1 25 ILE MD 1 53 GLY HA2 . . 5.500 5.503 5.496 5.510 0.010 10 0 "[ . 1 . 2]" 1
463 1 25 ILE MD 1 53 GLY HA3 . . 4.110 4.063 4.044 4.102 . 0 0 "[ . 1 . 2]" 1
464 1 25 ILE HG12 1 25 ILE MG . . 3.270 3.162 3.159 3.168 . 0 0 "[ . 1 . 2]" 1
465 1 25 ILE HG12 1 26 SER H . . 3.400 2.167 2.049 2.215 . 0 0 "[ . 1 . 2]" 1
466 1 25 ILE HG12 1 27 PHE QD . . 4.530 4.475 4.313 4.533 0.003 16 0 "[ . 1 . 2]" 1
467 1 25 ILE HG13 1 25 ILE MG . . 3.220 2.529 2.511 2.540 . 0 0 "[ . 1 . 2]" 1
468 1 25 ILE HG13 1 26 SER H . . 4.010 3.898 3.787 3.943 . 0 0 "[ . 1 . 2]" 1
469 1 25 ILE HG13 1 27 PHE QD . . 4.770 4.679 4.532 4.770 . 0 0 "[ . 1 . 2]" 1
470 1 25 ILE HG13 1 53 GLY H . . 5.500 5.447 5.366 5.501 0.001 16 0 "[ . 1 . 2]" 1
471 1 25 ILE MG 1 26 SER H . . 4.310 4.127 4.085 4.150 . 0 0 "[ . 1 . 2]" 1
472 1 25 ILE MG 1 27 PHE HB3 . . 4.820 4.663 4.468 4.744 . 0 0 "[ . 1 . 2]" 1
473 1 25 ILE MG 1 27 PHE QD . . 4.090 3.415 3.254 3.493 . 0 0 "[ . 1 . 2]" 1
474 1 25 ILE MG 1 33 VAL MG1 . . 5.150 4.795 4.473 4.998 . 0 0 "[ . 1 . 2]" 1
475 1 25 ILE MG 1 47 ARG HA . . 4.010 3.979 3.862 4.012 0.002 16 0 "[ . 1 . 2]" 1
476 1 25 ILE MG 1 48 PHE H . . 3.590 3.426 3.301 3.555 . 0 0 "[ . 1 . 2]" 1
477 1 25 ILE MG 1 48 PHE HA . . 5.370 5.275 5.024 5.365 . 0 0 "[ . 1 . 2]" 1
478 1 25 ILE MG 1 48 PHE HB2 . . 3.900 3.603 3.057 3.835 . 0 0 "[ . 1 . 2]" 1
479 1 25 ILE MG 1 48 PHE HB3 . . 3.450 3.251 2.983 3.418 . 0 0 "[ . 1 . 2]" 1
480 1 25 ILE MG 1 48 PHE QD . . 4.570 4.431 4.138 4.570 . 9 0 "[ . 1 . 2]" 1
481 1 25 ILE MG 1 51 LEU H . . 5.260 5.196 5.104 5.267 0.007 14 0 "[ . 1 . 2]" 1
482 1 25 ILE MG 1 51 LEU HB2 . . 3.820 3.509 3.348 3.599 . 0 0 "[ . 1 . 2]" 1
483 1 25 ILE MG 1 51 LEU HB3 . . 3.960 3.440 3.252 3.639 . 0 0 "[ . 1 . 2]" 1
484 1 25 ILE MG 1 52 GLU H . . 4.280 3.564 3.275 3.798 . 0 0 "[ . 1 . 2]" 1
485 1 25 ILE MG 1 52 GLU HA . . 3.460 3.106 2.972 3.231 . 0 0 "[ . 1 . 2]" 1
486 1 25 ILE MG 1 53 GLY H . . 3.720 2.298 2.249 2.334 . 0 0 "[ . 1 . 2]" 1
487 1 25 ILE MG 1 53 GLY HA3 . . 4.730 1.791 1.771 1.842 . 0 0 "[ . 1 . 2]" 1
488 1 26 SER H 1 26 SER HB2 . . 3.920 3.618 2.842 3.689 . 0 0 "[ . 1 . 2]" 1
489 1 26 SER H 1 26 SER QB . . 3.170 2.692 2.430 2.816 . 0 0 "[ . 1 . 2]" 1
490 1 26 SER H 1 26 SER HB3 . . 3.920 2.812 2.468 3.636 . 0 0 "[ . 1 . 2]" 1
491 1 26 SER H 1 27 PHE H . . 4.560 4.513 4.470 4.531 . 0 0 "[ . 1 . 2]" 1
492 1 26 SER QB 1 27 PHE H . . 3.300 3.082 3.001 3.229 . 0 0 "[ . 1 . 2]" 1
493 1 27 PHE H 1 27 PHE QD . . 3.990 3.021 2.837 3.112 . 0 0 "[ . 1 . 2]" 1
494 1 27 PHE HA 1 27 PHE QD . . 4.280 3.705 3.675 3.716 . 0 0 "[ . 1 . 2]" 1
495 1 27 PHE HA 1 28 PRO HD2 . . 3.320 2.330 2.259 2.445 . 0 0 "[ . 1 . 2]" 1
496 1 27 PHE HA 1 28 PRO HD3 . . 3.120 2.276 2.258 2.317 . 0 0 "[ . 1 . 2]" 1
497 1 27 PHE HA 1 28 PRO HG2 . . 4.880 4.455 4.399 4.549 . 0 0 "[ . 1 . 2]" 1
498 1 27 PHE HA 1 31 VAL MG2 . . 4.470 4.024 3.889 4.251 . 0 0 "[ . 1 . 2]" 1
499 1 27 PHE HA 1 48 PHE QE . . 4.570 3.787 3.280 4.228 . 0 0 "[ . 1 . 2]" 1
500 1 27 PHE HB2 1 28 PRO HD2 . . 3.460 2.267 2.005 2.411 . 0 0 "[ . 1 . 2]" 1
501 1 27 PHE HB2 1 28 PRO HD3 . . 3.810 3.677 3.456 3.797 . 0 0 "[ . 1 . 2]" 1
502 1 27 PHE HB2 1 28 PRO HG3 . . 5.230 4.875 4.631 5.015 . 0 0 "[ . 1 . 2]" 1
503 1 27 PHE HB2 1 31 VAL MG1 . . 4.570 4.239 4.098 4.474 . 0 0 "[ . 1 . 2]" 1
504 1 27 PHE HB2 1 31 VAL MG2 . . 3.660 2.349 2.252 2.535 . 0 0 "[ . 1 . 2]" 1
505 1 27 PHE HB2 1 33 VAL MG1 . . 4.660 3.832 3.659 3.978 . 0 0 "[ . 1 . 2]" 1
506 1 27 PHE HB2 1 48 PHE QD . . 4.720 4.169 3.060 4.538 . 0 0 "[ . 1 . 2]" 1
507 1 27 PHE HB3 1 28 PRO HD2 . . 3.820 3.155 3.018 3.274 . 0 0 "[ . 1 . 2]" 1
508 1 27 PHE HB3 1 28 PRO HD3 . . 4.290 4.169 4.033 4.275 . 0 0 "[ . 1 . 2]" 1
509 1 27 PHE HB3 1 31 VAL MG2 . . 4.010 3.554 3.432 3.728 . 0 0 "[ . 1 . 2]" 1
510 1 27 PHE HB3 1 33 VAL MG1 . . 4.780 3.779 3.597 3.930 . 0 0 "[ . 1 . 2]" 1
511 1 27 PHE HB3 1 48 PHE QD . . 4.460 3.345 2.250 3.787 . 0 0 "[ . 1 . 2]" 1
512 1 27 PHE QD 1 28 PRO HD2 . . 4.690 4.093 3.913 4.212 . 0 0 "[ . 1 . 2]" 1
513 1 27 PHE QD 1 29 ALA HA . . 4.790 4.195 4.084 4.287 . 0 0 "[ . 1 . 2]" 1
514 1 27 PHE QD 1 31 VAL MG1 . . 5.500 5.192 4.980 5.435 . 0 0 "[ . 1 . 2]" 1
515 1 27 PHE QD 1 31 VAL MG2 . . 4.500 3.162 2.861 3.423 . 0 0 "[ . 1 . 2]" 1
516 1 27 PHE QD 1 33 VAL MG1 . . 4.330 3.557 3.277 3.731 . 0 0 "[ . 1 . 2]" 1
517 1 27 PHE QD 1 46 VAL MG1 . . 5.500 5.371 5.168 5.502 0.002 7 0 "[ . 1 . 2]" 1
518 1 27 PHE QD 1 46 VAL MG2 . . 4.640 3.658 3.498 3.847 . 0 0 "[ . 1 . 2]" 1
519 1 27 PHE QD 1 55 ALA MB . . 4.450 3.983 3.828 4.174 . 0 0 "[ . 1 . 2]" 1
520 1 27 PHE QE 1 33 VAL MG1 . . 4.960 3.976 3.568 4.289 . 0 0 "[ . 1 . 2]" 1
521 1 27 PHE QE 1 46 VAL MG1 . . 4.870 4.265 3.831 4.572 . 0 0 "[ . 1 . 2]" 1
522 1 27 PHE QE 1 46 VAL MG2 . . 3.660 2.503 2.113 2.831 . 0 0 "[ . 1 . 2]" 1
523 1 27 PHE QE 1 55 ALA MB . . 3.320 2.026 1.894 2.259 . 0 0 "[ . 1 . 2]" 1
524 1 27 PHE QE 1 56 PRO HD2 . . 4.890 4.496 4.075 4.891 0.001 8 0 "[ . 1 . 2]" 1
525 1 27 PHE QE 1 59 TYR HB2 . . 4.430 4.138 3.948 4.307 . 0 0 "[ . 1 . 2]" 1
526 1 27 PHE QE 1 59 TYR HB3 . . 3.450 3.324 3.148 3.441 . 0 0 "[ . 1 . 2]" 1
527 1 27 PHE QE 1 60 LEU MD1 . . 5.440 4.904 4.501 5.329 . 0 0 "[ . 1 . 2]" 1
528 1 27 PHE QE 1 60 LEU MD2 . . 4.190 3.480 3.030 3.746 . 0 0 "[ . 1 . 2]" 1
529 1 27 PHE QE 1 60 LEU HG . . 5.320 4.736 4.316 5.208 . 0 0 "[ . 1 . 2]" 1
530 1 27 PHE HZ 1 33 VAL MG2 . . 5.360 4.618 4.082 4.855 . 0 0 "[ . 1 . 2]" 1
531 1 27 PHE HZ 1 55 ALA MB . . 3.730 2.132 1.967 2.377 . 0 0 "[ . 1 . 2]" 1
532 1 27 PHE HZ 1 56 PRO HD2 . . 4.230 3.755 3.324 4.163 . 0 0 "[ . 1 . 2]" 1
533 1 27 PHE HZ 1 59 TYR HB2 . . 3.790 3.656 3.349 3.786 . 0 0 "[ . 1 . 2]" 1
534 1 27 PHE HZ 1 59 TYR HB3 . . 3.960 3.883 3.526 3.960 0.000 8 0 "[ . 1 . 2]" 1
535 1 27 PHE HZ 1 60 LEU MD1 . . 5.120 4.553 4.101 5.041 . 0 0 "[ . 1 . 2]" 1
536 1 27 PHE HZ 1 60 LEU MD2 . . 4.240 3.207 2.857 3.572 . 0 0 "[ . 1 . 2]" 1
537 1 28 PRO HB2 1 29 ALA H . . 3.190 2.543 2.368 2.616 . 0 0 "[ . 1 . 2]" 1
538 1 28 PRO HB2 1 29 ALA HA . . 5.280 4.487 4.415 4.531 . 0 0 "[ . 1 . 2]" 1
539 1 28 PRO HB2 1 29 ALA MB . . 4.650 4.284 4.212 4.343 . 0 0 "[ . 1 . 2]" 1
540 1 28 PRO HB2 1 31 VAL MG1 . . 4.180 3.469 3.135 3.830 . 0 0 "[ . 1 . 2]" 1
541 1 28 PRO HB3 1 29 ALA H . . 3.690 3.419 3.334 3.455 . 0 0 "[ . 1 . 2]" 1
542 1 28 PRO HB3 1 31 VAL MG1 . . 4.660 4.426 4.130 4.661 0.001 3 0 "[ . 1 . 2]" 1
543 1 28 PRO HB3 1 31 VAL MG2 . . 4.940 4.668 4.545 4.775 . 0 0 "[ . 1 . 2]" 1
544 1 28 PRO HD2 1 31 VAL MG1 . . 3.920 3.207 2.964 3.457 . 0 0 "[ . 1 . 2]" 1
545 1 28 PRO HD2 1 31 VAL MG2 . . 3.450 2.299 2.210 2.386 . 0 0 "[ . 1 . 2]" 1
546 1 28 PRO HD2 1 48 PHE QE . . 4.160 3.222 2.338 3.719 . 0 0 "[ . 1 . 2]" 1
547 1 28 PRO HD2 1 48 PHE HZ . . 4.360 3.228 2.833 3.694 . 0 0 "[ . 1 . 2]" 1
548 1 28 PRO HD3 1 31 VAL MG1 . . 4.370 4.206 4.031 4.377 0.007 15 0 "[ . 1 . 2]" 1
549 1 28 PRO HD3 1 31 VAL MG2 . . 3.870 3.828 3.728 3.872 0.002 7 0 "[ . 1 . 2]" 1
550 1 28 PRO HD3 1 48 PHE QE . . 3.990 3.516 3.033 3.986 . 0 0 "[ . 1 . 2]" 1
551 1 28 PRO HD3 1 48 PHE HZ . . 4.460 3.953 3.147 4.439 . 0 0 "[ . 1 . 2]" 1
552 1 28 PRO HG2 1 30 GLY H . . 5.080 4.800 4.555 5.058 . 0 0 "[ . 1 . 2]" 1
553 1 28 PRO HG2 1 31 VAL MG1 . . 3.260 2.009 1.872 2.108 . 0 0 "[ . 1 . 2]" 1
554 1 28 PRO HG2 1 31 VAL MG2 . . 3.620 2.295 2.100 2.453 . 0 0 "[ . 1 . 2]" 1
555 1 28 PRO HG2 1 48 PHE HZ . . 4.730 3.777 3.338 4.237 . 0 0 "[ . 1 . 2]" 1
556 1 28 PRO HG3 1 29 ALA H . . 5.100 5.037 4.904 5.091 . 0 0 "[ . 1 . 2]" 1
557 1 28 PRO HG3 1 31 VAL MG1 . . 3.770 3.024 2.738 3.187 . 0 0 "[ . 1 . 2]" 1
558 1 28 PRO HG3 1 31 VAL MG2 . . 4.250 3.673 3.480 3.823 . 0 0 "[ . 1 . 2]" 1
559 1 28 PRO HG3 1 48 PHE QE . . 4.990 4.228 3.816 4.605 . 0 0 "[ . 1 . 2]" 1
560 1 28 PRO HG3 1 48 PHE HZ . . 4.690 3.643 2.875 4.133 . 0 0 "[ . 1 . 2]" 1
561 1 29 ALA H 1 29 ALA MB . . 2.850 2.262 2.114 2.344 . 0 0 "[ . 1 . 2]" 1
562 1 29 ALA H 1 30 GLY H . . 4.870 4.232 4.124 4.328 . 0 0 "[ . 1 . 2]" 1
563 1 29 ALA HA 1 30 GLY H . . 2.860 2.184 2.155 2.213 . 0 0 "[ . 1 . 2]" 1
564 1 29 ALA HA 1 31 VAL H . . 4.130 3.825 3.667 3.914 . 0 0 "[ . 1 . 2]" 1
565 1 29 ALA HA 1 31 VAL MG2 . . 4.220 3.845 3.772 3.955 . 0 0 "[ . 1 . 2]" 1
566 1 29 ALA MB 1 30 GLY H . . 3.520 3.460 3.372 3.522 0.002 15 0 "[ . 1 . 2]" 1
567 1 29 ALA MB 1 30 GLY HA2 . . 5.070 4.397 4.361 4.456 . 0 0 "[ . 1 . 2]" 1
568 1 29 ALA MB 1 30 GLY QA . . 4.410 3.818 3.754 3.858 . 0 0 "[ . 1 . 2]" 1
569 1 29 ALA MB 1 30 GLY HA3 . . 5.070 4.192 4.095 4.255 . 0 0 "[ . 1 . 2]" 1
570 1 29 ALA MB 1 31 VAL H . . 5.040 4.970 4.853 5.039 . 0 0 "[ . 1 . 2]" 1
571 1 30 GLY H 1 31 VAL MG1 . . 4.630 3.867 3.695 4.057 . 0 0 "[ . 1 . 2]" 1
572 1 30 GLY H 1 31 VAL MG2 . . 4.270 2.847 2.617 3.094 . 0 0 "[ . 1 . 2]" 1
573 1 30 GLY QA 1 31 VAL MG1 . . 4.720 3.652 3.454 3.779 . 0 0 "[ . 1 . 2]" 1
574 1 30 GLY QA 1 31 VAL MG2 . . 4.650 4.031 3.874 4.163 . 0 0 "[ . 1 . 2]" 1
575 1 31 VAL H 1 31 VAL MG1 . . 3.500 3.081 2.867 3.306 . 0 0 "[ . 1 . 2]" 1
576 1 31 VAL H 1 31 VAL MG2 . . 2.910 1.938 1.879 2.114 . 0 0 "[ . 1 . 2]" 1
577 1 31 VAL H 1 32 GLU H . . 4.960 4.447 4.395 4.485 . 0 0 "[ . 1 . 2]" 1
578 1 31 VAL HB 1 32 GLU H . . 2.920 2.545 2.187 2.922 0.002 9 0 "[ . 1 . 2]" 1
579 1 31 VAL HB 1 33 VAL MG1 . . 4.920 3.883 3.598 4.259 . 0 0 "[ . 1 . 2]" 1
580 1 31 VAL HB 1 48 PHE QE . . 3.740 2.475 2.014 2.932 . 0 0 "[ . 1 . 2]" 1
581 1 31 VAL HB 1 48 PHE HZ . . 4.660 4.052 3.450 4.608 . 0 0 "[ . 1 . 2]" 1
582 1 31 VAL MG1 1 32 GLU H . . 3.820 3.579 3.339 3.821 0.001 9 0 "[ . 1 . 2]" 1
583 1 31 VAL MG1 1 48 PHE QE . . 3.950 2.849 2.395 3.351 . 0 0 "[ . 1 . 2]" 1
584 1 31 VAL MG1 1 48 PHE HZ . . 3.840 2.796 2.271 3.265 . 0 0 "[ . 1 . 2]" 1
585 1 31 VAL MG2 1 32 GLU H . . 3.810 3.671 3.464 3.806 . 0 0 "[ . 1 . 2]" 1
586 1 31 VAL MG2 1 48 PHE QE . . 3.720 2.924 1.905 3.504 . 0 0 "[ . 1 . 2]" 1
587 1 31 VAL MG2 1 48 PHE HZ . . 4.070 3.526 2.729 3.972 . 0 0 "[ . 1 . 2]" 1
588 1 32 GLU H 1 32 GLU HB2 . . 3.540 2.798 2.381 3.558 0.018 9 0 "[ . 1 . 2]" 1
589 1 32 GLU H 1 32 GLU QB . . 2.870 2.344 2.250 2.448 . 0 0 "[ . 1 . 2]" 1
590 1 32 GLU H 1 32 GLU HB3 . . 3.540 2.583 2.296 2.821 . 0 0 "[ . 1 . 2]" 1
591 1 32 GLU H 1 32 GLU HG2 . . 4.900 4.446 3.749 4.628 . 0 0 "[ . 1 . 2]" 1
592 1 32 GLU H 1 32 GLU QG . . 4.200 3.997 3.438 4.111 . 0 0 "[ . 1 . 2]" 1
593 1 32 GLU H 1 32 GLU HG3 . . 4.900 4.545 3.996 4.800 . 0 0 "[ . 1 . 2]" 1
594 1 32 GLU H 1 33 VAL H . . 4.640 4.545 4.500 4.596 . 0 0 "[ . 1 . 2]" 1
595 1 32 GLU H 1 33 VAL MG1 . . 4.790 4.276 4.076 4.562 . 0 0 "[ . 1 . 2]" 1
596 1 32 GLU H 1 48 PHE QE . . 4.820 4.374 3.759 4.819 . 0 0 "[ . 1 . 2]" 1
597 1 32 GLU HA 1 32 GLU HG2 . . 4.130 2.970 2.509 3.528 . 0 0 "[ . 1 . 2]" 1
598 1 32 GLU HA 1 32 GLU QG . . 3.540 2.457 2.224 3.354 . 0 0 "[ . 1 . 2]" 1
599 1 32 GLU HA 1 32 GLU HG3 . . 4.130 2.755 2.290 4.192 0.062 9 0 "[ . 1 . 2]" 1
600 1 32 GLU HA 1 33 VAL H . . 2.730 2.248 2.197 2.459 . 0 0 "[ . 1 . 2]" 1
601 1 32 GLU QB 1 33 VAL H . . 3.920 3.465 2.531 3.612 . 0 0 "[ . 1 . 2]" 1
602 1 32 GLU HB2 1 33 VAL H . . 4.510 3.998 2.563 4.224 . 0 0 "[ . 1 . 2]" 1
603 1 32 GLU HB3 1 33 VAL H . . 4.510 3.866 3.529 4.085 . 0 0 "[ . 1 . 2]" 1
604 1 32 GLU HG2 1 33 VAL H . . 3.930 2.487 2.024 3.092 . 0 0 "[ . 1 . 2]" 1
605 1 32 GLU HG3 1 33 VAL H . . 3.930 3.089 2.491 3.930 . 9 0 "[ . 1 . 2]" 1
606 1 33 VAL H 1 33 VAL MG1 . . 3.700 3.126 2.983 3.289 . 0 0 "[ . 1 . 2]" 1
607 1 33 VAL H 1 33 VAL MG2 . . 3.140 2.100 1.895 2.372 . 0 0 "[ . 1 . 2]" 1
608 1 33 VAL H 1 34 GLN H . . 4.750 4.424 4.370 4.466 . 0 0 "[ . 1 . 2]" 1
609 1 33 VAL HA 1 33 VAL MG1 . . 3.270 2.317 2.182 2.387 . 0 0 "[ . 1 . 2]" 1
610 1 33 VAL HA 1 34 GLN H . . 2.840 2.412 2.247 2.602 . 0 0 "[ . 1 . 2]" 1
611 1 33 VAL HA 1 46 VAL MG1 . . 5.030 4.805 4.499 5.029 . 0 0 "[ . 1 . 2]" 1
612 1 33 VAL HA 1 48 PHE HA . . 4.440 3.878 3.563 4.084 . 0 0 "[ . 1 . 2]" 1
613 1 33 VAL HA 1 48 PHE QD . . 4.860 3.959 3.498 4.747 . 0 0 "[ . 1 . 2]" 1
614 1 33 VAL HB 1 34 GLN H . . 2.960 2.377 1.973 2.811 . 0 0 "[ . 1 . 2]" 1
615 1 33 VAL HB 1 48 PHE HA . . 4.710 4.550 4.342 4.684 . 0 0 "[ . 1 . 2]" 1
616 1 33 VAL HB 1 48 PHE HB2 . . 4.880 4.533 4.298 4.800 . 0 0 "[ . 1 . 2]" 1
617 1 33 VAL HB 1 60 LEU MD2 . . 4.860 4.157 3.894 4.436 . 0 0 "[ . 1 . 2]" 1
618 1 33 VAL MG1 1 34 GLN H . . 3.820 3.552 3.369 3.793 . 0 0 "[ . 1 . 2]" 1
619 1 33 VAL MG1 1 46 VAL MG1 . . 4.940 3.573 3.397 3.909 . 0 0 "[ . 1 . 2]" 1
620 1 33 VAL MG1 1 46 VAL MG2 . . 4.930 3.459 3.140 3.764 . 0 0 "[ . 1 . 2]" 1
621 1 33 VAL MG1 1 48 PHE HA . . 3.990 3.025 2.725 3.290 . 0 0 "[ . 1 . 2]" 1
622 1 33 VAL MG1 1 48 PHE HB2 . . 3.330 2.619 2.475 2.728 . 0 0 "[ . 1 . 2]" 1
623 1 33 VAL MG1 1 48 PHE HB3 . . 4.240 4.145 4.036 4.239 . 0 0 "[ . 1 . 2]" 1
624 1 33 VAL MG1 1 48 PHE QD . . 3.640 2.597 2.215 2.901 . 0 0 "[ . 1 . 2]" 1
625 1 33 VAL MG2 1 34 GLN H . . 4.120 3.528 3.140 3.840 . 0 0 "[ . 1 . 2]" 1
626 1 33 VAL MG2 1 46 VAL HA . . 5.060 4.342 4.060 4.807 . 0 0 "[ . 1 . 2]" 1
627 1 33 VAL MG2 1 46 VAL MG1 . . 2.990 2.090 1.886 2.487 . 0 0 "[ . 1 . 2]" 1
628 1 33 VAL MG2 1 47 ARG H . . 4.750 4.088 3.848 4.376 . 0 0 "[ . 1 . 2]" 1
629 1 33 VAL MG2 1 60 LEU HB3 . . 4.680 4.270 4.018 4.567 . 0 0 "[ . 1 . 2]" 1
630 1 33 VAL MG2 1 60 LEU MD2 . . 3.480 2.051 1.879 2.264 . 0 0 "[ . 1 . 2]" 1
631 1 33 VAL MG2 1 60 LEU HG . . 4.720 4.378 4.130 4.653 . 0 0 "[ . 1 . 2]" 1
632 1 33 VAL MG2 1 61 VAL H . . 5.470 5.270 4.631 5.457 . 0 0 "[ . 1 . 2]" 1
633 1 34 GLN H 1 34 GLN HB2 . . 3.760 2.690 2.252 3.125 . 0 0 "[ . 1 . 2]" 1
634 1 34 GLN H 1 34 GLN QB . . 3.170 2.423 2.226 2.575 . 0 0 "[ . 1 . 2]" 1
635 1 34 GLN H 1 34 GLN HB3 . . 3.760 2.978 2.587 3.565 . 0 0 "[ . 1 . 2]" 1
636 1 34 GLN H 1 34 GLN HG2 . . 5.060 4.534 3.445 4.882 . 0 0 "[ . 1 . 2]" 1
637 1 34 GLN H 1 34 GLN QG . . 4.350 3.917 3.262 4.171 . 0 0 "[ . 1 . 2]" 1
638 1 34 GLN H 1 34 GLN HG3 . . 5.060 4.354 3.363 4.812 . 0 0 "[ . 1 . 2]" 1
639 1 34 GLN H 1 35 VAL H . . 4.770 4.348 4.176 4.561 . 0 0 "[ . 1 . 2]" 1
640 1 34 GLN H 1 46 VAL MG1 . . 3.990 3.821 3.529 3.991 0.001 15 0 "[ . 1 . 2]" 1
641 1 34 GLN H 1 47 ARG H . . 3.480 2.443 2.192 2.883 . 0 0 "[ . 1 . 2]" 1
642 1 34 GLN H 1 47 ARG HB2 . . 5.410 4.723 4.453 5.249 . 0 0 "[ . 1 . 2]" 1
643 1 34 GLN H 1 47 ARG HB3 . . 4.200 3.274 2.941 3.701 . 0 0 "[ . 1 . 2]" 1
644 1 34 GLN H 1 47 ARG QG . . 5.500 4.626 4.279 5.211 . 0 0 "[ . 1 . 2]" 1
645 1 34 GLN H 1 48 PHE HA . . 4.850 4.613 4.236 4.851 0.001 14 0 "[ . 1 . 2]" 1
646 1 34 GLN HA 1 34 GLN HG2 . . 4.020 3.075 2.241 3.745 . 0 0 "[ . 1 . 2]" 1
647 1 34 GLN HA 1 34 GLN HG3 . . 4.020 2.595 2.182 3.608 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLN HA 1 35 VAL H . . 2.780 2.164 2.139 2.359 . 0 0 "[ . 1 . 2]" 1
649 1 34 GLN HA 1 35 VAL MG2 . . 4.580 3.755 3.397 4.019 . 0 0 "[ . 1 . 2]" 1
650 1 34 GLN QB 1 35 VAL H . . 4.020 3.577 2.559 3.863 . 0 0 "[ . 1 . 2]" 1
651 1 34 GLN QB 1 36 LEU QD . . 3.790 3.132 2.590 3.566 . 0 0 "[ . 1 . 2]" 1
652 1 34 GLN QB 1 47 ARG H . . 4.270 3.469 3.084 3.630 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLN QB 1 47 ARG HB2 . . 4.410 3.846 3.348 4.313 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLN QB 1 47 ARG QD . . 4.760 3.696 2.660 4.761 0.001 15 0 "[ . 1 . 2]" 1
655 1 34 GLN QB 1 47 ARG QG . . 4.910 4.096 3.680 4.432 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLN HB2 1 35 VAL H . . 4.590 4.351 3.934 4.457 . 0 0 "[ . 1 . 2]" 1
657 1 34 GLN HB2 1 47 ARG H . . 4.970 4.334 3.560 4.863 . 0 0 "[ . 1 . 2]" 1
658 1 34 GLN HB2 1 47 ARG HB3 . . 3.970 3.455 2.420 3.923 . 0 0 "[ . 1 . 2]" 1
659 1 34 GLN HB3 1 35 VAL H . . 4.590 3.857 2.593 4.314 . 0 0 "[ . 1 . 2]" 1
660 1 34 GLN HB3 1 47 ARG H . . 4.970 3.835 3.154 4.535 . 0 0 "[ . 1 . 2]" 1
661 1 34 GLN HB3 1 47 ARG HB3 . . 3.970 2.847 2.045 3.962 . 0 0 "[ . 1 . 2]" 1
662 1 34 GLN QE 1 36 LEU QD . . 4.790 4.002 2.060 4.786 . 0 0 "[ . 1 . 2]" 1
663 1 34 GLN QG 1 35 VAL H . . 4.180 3.164 2.558 3.934 . 0 0 "[ . 1 . 2]" 1
664 1 34 GLN QG 1 35 VAL MG2 . . 5.340 4.874 4.533 5.333 . 0 0 "[ . 1 . 2]" 1
665 1 34 GLN QG 1 36 LEU QD . . 4.230 3.412 2.743 4.231 0.001 15 0 "[ . 1 . 2]" 1
666 1 34 GLN QG 1 47 ARG HB3 . . 5.050 4.422 3.605 4.851 . 0 0 "[ . 1 . 2]" 1
667 1 34 GLN HG2 1 35 VAL H . . 4.790 3.796 2.979 4.700 . 0 0 "[ . 1 . 2]" 1
668 1 34 GLN HG3 1 35 VAL H . . 4.790 3.657 2.578 4.790 . 0 0 "[ . 1 . 2]" 1
669 1 35 VAL H 1 35 VAL HB . . 2.960 2.441 2.328 2.606 . 0 0 "[ . 1 . 2]" 1
670 1 35 VAL H 1 35 VAL MG1 . . 3.900 3.754 3.702 3.829 . 0 0 "[ . 1 . 2]" 1
671 1 35 VAL H 1 35 VAL MG2 . . 3.260 2.497 2.153 2.899 . 0 0 "[ . 1 . 2]" 1
672 1 35 VAL H 1 46 VAL MG1 . . 4.430 3.845 3.631 4.305 . 0 0 "[ . 1 . 2]" 1
673 1 35 VAL HA 1 35 VAL MG1 . . 3.360 2.432 2.309 2.494 . 0 0 "[ . 1 . 2]" 1
674 1 35 VAL HA 1 35 VAL MG2 . . 3.220 2.340 2.204 2.445 . 0 0 "[ . 1 . 2]" 1
675 1 35 VAL HA 1 36 LEU H . . 2.840 2.178 2.142 2.235 . 0 0 "[ . 1 . 2]" 1
676 1 35 VAL HA 1 36 LEU HG . . 4.460 4.006 3.804 4.276 . 0 0 "[ . 1 . 2]" 1
677 1 35 VAL HA 1 37 GLU H . . 4.380 4.146 3.795 4.345 . 0 0 "[ . 1 . 2]" 1
678 1 35 VAL HA 1 46 VAL HA . . 3.410 2.381 2.242 2.508 . 0 0 "[ . 1 . 2]" 1
679 1 35 VAL HA 1 46 VAL HB . . 4.590 4.466 4.348 4.592 0.002 10 0 "[ . 1 . 2]" 1
680 1 35 VAL HA 1 46 VAL MG1 . . 3.410 2.633 2.493 2.821 . 0 0 "[ . 1 . 2]" 1
681 1 35 VAL HA 1 47 ARG H . . 4.350 4.199 4.010 4.337 . 0 0 "[ . 1 . 2]" 1
682 1 35 VAL HB 1 36 LEU H . . 4.630 4.450 4.323 4.511 . 0 0 "[ . 1 . 2]" 1
683 1 35 VAL HB 1 60 LEU MD1 . . 5.500 5.035 4.736 5.379 . 0 0 "[ . 1 . 2]" 1
684 1 35 VAL MG1 1 36 LEU H . . 3.540 3.086 2.706 3.388 . 0 0 "[ . 1 . 2]" 1
685 1 35 VAL MG1 1 36 LEU HA . . 4.730 4.107 3.924 4.261 . 0 0 "[ . 1 . 2]" 1
686 1 35 VAL MG1 1 37 GLU H . . 3.350 3.121 2.851 3.343 . 0 0 "[ . 1 . 2]" 1
687 1 35 VAL MG1 1 37 GLU HA . . 5.030 3.727 3.401 4.056 . 0 0 "[ . 1 . 2]" 1
688 1 35 VAL MG1 1 38 LYS QD . . 4.490 3.231 1.960 3.638 . 0 0 "[ . 1 . 2]" 1
689 1 35 VAL MG1 1 38 LYS HE2 . . 3.660 2.903 2.076 3.655 . 0 0 "[ . 1 . 2]" 1
690 1 35 VAL MG1 1 38 LYS QE . . 3.110 2.194 1.857 3.109 . 0 0 "[ . 1 . 2]" 1
691 1 35 VAL MG1 1 38 LYS HE3 . . 3.660 2.448 1.908 3.657 . 0 0 "[ . 1 . 2]" 1
692 1 35 VAL MG1 1 38 LYS QG . . 3.570 2.082 1.796 2.331 . 0 0 "[ . 1 . 2]" 1
693 1 35 VAL MG1 1 44 TRP HA . . 4.770 4.099 3.899 4.413 . 0 0 "[ . 1 . 2]" 1
694 1 35 VAL MG1 1 44 TRP HB2 . . 4.110 3.351 2.973 3.730 . 0 0 "[ . 1 . 2]" 1
695 1 35 VAL MG1 1 44 TRP HB3 . . 3.520 2.260 2.025 2.634 . 0 0 "[ . 1 . 2]" 1
696 1 35 VAL MG1 1 44 TRP HE3 . . 4.220 3.051 2.791 3.301 . 0 0 "[ . 1 . 2]" 1
697 1 35 VAL MG1 1 44 TRP HZ3 . . 4.700 4.529 4.321 4.684 . 0 0 "[ . 1 . 2]" 1
698 1 35 VAL MG1 1 45 TYR H . . 4.110 3.568 3.245 3.872 . 0 0 "[ . 1 . 2]" 1
699 1 35 VAL MG1 1 46 VAL HA . . 4.590 4.139 3.963 4.330 . 0 0 "[ . 1 . 2]" 1
700 1 35 VAL MG2 1 44 TRP HA . . 5.500 5.275 4.890 5.501 0.001 3 0 "[ . 1 . 2]" 1
701 1 35 VAL MG2 1 44 TRP HB2 . . 4.320 3.329 2.776 3.669 . 0 0 "[ . 1 . 2]" 1
702 1 35 VAL MG2 1 44 TRP HB3 . . 4.030 3.233 2.830 3.472 . 0 0 "[ . 1 . 2]" 1
703 1 35 VAL MG2 1 44 TRP HE3 . . 3.470 2.468 2.083 2.803 . 0 0 "[ . 1 . 2]" 1
704 1 35 VAL MG2 1 44 TRP HZ3 . . 3.880 3.661 3.314 3.887 0.007 15 0 "[ . 1 . 2]" 1
705 1 35 VAL MG2 1 46 VAL HA . . 4.380 3.589 3.305 3.760 . 0 0 "[ . 1 . 2]" 1
706 1 35 VAL MG2 1 47 ARG H . . 5.500 4.848 4.690 4.980 . 0 0 "[ . 1 . 2]" 1
707 1 35 VAL MG2 1 60 LEU MD1 . . 3.400 2.516 2.341 2.754 . 0 0 "[ . 1 . 2]" 1
708 1 36 LEU H 1 36 LEU QB . . 3.690 2.486 2.398 2.654 . 0 0 "[ . 1 . 2]" 1
709 1 36 LEU H 1 36 LEU MD1 . . 4.220 3.577 3.400 3.787 . 0 0 "[ . 1 . 2]" 1
710 1 36 LEU H 1 36 LEU QD . . 3.660 3.031 2.701 3.197 . 0 0 "[ . 1 . 2]" 1
711 1 36 LEU H 1 36 LEU MD2 . . 4.220 3.305 2.783 3.660 . 0 0 "[ . 1 . 2]" 1
712 1 36 LEU H 1 36 LEU HG . . 3.180 2.225 1.912 2.439 . 0 0 "[ . 1 . 2]" 1
713 1 36 LEU H 1 37 GLU H . . 2.840 2.734 2.530 2.835 . 0 0 "[ . 1 . 2]" 1
714 1 36 LEU H 1 45 TYR QB . . 4.540 3.496 3.359 3.775 . 0 0 "[ . 1 . 2]" 1
715 1 36 LEU H 1 45 TYR QD . . 4.540 4.373 4.127 4.530 . 0 0 "[ . 1 . 2]" 1
716 1 36 LEU H 1 46 VAL HA . . 3.450 2.901 2.804 2.973 . 0 0 "[ . 1 . 2]" 1
717 1 36 LEU H 1 46 VAL HB . . 5.500 5.468 5.379 5.500 0.000 7 0 "[ . 1 . 2]" 1
718 1 36 LEU H 1 46 VAL MG1 . . 4.780 4.079 3.967 4.276 . 0 0 "[ . 1 . 2]" 1
719 1 36 LEU H 1 46 VAL MG2 . . 5.500 5.350 5.260 5.491 . 0 0 "[ . 1 . 2]" 1
720 1 36 LEU HA 1 36 LEU MD1 . . 4.160 3.895 3.787 3.960 . 0 0 "[ . 1 . 2]" 1
721 1 36 LEU HA 1 36 LEU QD . . 2.990 2.113 1.970 2.349 . 0 0 "[ . 1 . 2]" 1
722 1 36 LEU HA 1 36 LEU MD2 . . 4.160 2.122 1.976 2.367 . 0 0 "[ . 1 . 2]" 1
723 1 36 LEU HA 1 36 LEU HG . . 3.980 3.160 3.005 3.416 . 0 0 "[ . 1 . 2]" 1
724 1 36 LEU QB 1 37 GLU H . . 3.380 2.176 2.029 2.419 . 0 0 "[ . 1 . 2]" 1
725 1 36 LEU QB 1 45 TYR HB2 . . 4.920 4.063 3.824 4.285 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU QB 1 45 TYR QB . . 4.060 2.437 2.190 2.671 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU QB 1 45 TYR HB3 . . 4.920 2.457 2.203 2.698 . 0 0 "[ . 1 . 2]" 1
728 1 36 LEU QB 1 45 TYR QD . . 3.090 2.333 1.970 2.569 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU QB 1 46 VAL HA . . 4.790 4.600 4.436 4.783 . 0 0 "[ . 1 . 2]" 1
730 1 36 LEU QD 1 45 TYR QB . . 4.230 3.355 3.017 3.505 . 0 0 "[ . 1 . 2]" 1
731 1 36 LEU QD 1 45 TYR QD . . 3.310 2.042 1.879 2.288 . 0 0 "[ . 1 . 2]" 1
732 1 36 LEU QD 1 45 TYR QE . . 3.370 2.554 2.129 2.847 . 0 0 "[ . 1 . 2]" 1
733 1 36 LEU QD 1 46 VAL HA . . 4.650 4.089 3.884 4.344 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU QD 1 47 ARG H . . 4.470 4.223 3.636 4.456 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU QD 1 47 ARG HA . . 4.880 4.016 3.736 4.299 . 0 0 "[ . 1 . 2]" 1
736 1 36 LEU QD 1 47 ARG HB2 . . 3.790 2.453 2.060 2.787 . 0 0 "[ . 1 . 2]" 1
737 1 36 LEU QD 1 47 ARG HB3 . . 4.090 3.265 2.567 3.446 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU QD 1 47 ARG QD . . 3.920 2.957 2.416 3.639 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU QD 1 47 ARG HE . . 4.810 3.422 2.383 4.790 . 0 0 "[ . 1 . 2]" 1
740 1 36 LEU QD 1 47 ARG QG . . 4.040 3.612 2.866 3.963 . 0 0 "[ . 1 . 2]" 1
741 1 36 LEU QD 1 52 GLU HA . . 4.780 4.243 3.915 4.562 . 0 0 "[ . 1 . 2]" 1
742 1 36 LEU QD 1 52 GLU QB . . 4.090 2.787 2.458 3.301 . 0 0 "[ . 1 . 2]" 1
743 1 36 LEU QD 1 52 GLU QG . . 3.690 2.262 1.948 2.706 . 0 0 "[ . 1 . 2]" 1
744 1 36 LEU MD1 1 45 TYR QD . . 4.660 2.045 1.881 2.294 . 0 0 "[ . 1 . 2]" 1
745 1 36 LEU MD1 1 47 ARG H . . 5.500 4.707 4.388 4.992 . 0 0 "[ . 1 . 2]" 1
746 1 36 LEU MD1 1 47 ARG HB3 . . 4.720 3.859 3.482 4.354 . 0 0 "[ . 1 . 2]" 1
747 1 36 LEU MD1 1 47 ARG HD2 . . 5.500 4.190 2.657 4.943 . 0 0 "[ . 1 . 2]" 1
748 1 36 LEU MD1 1 47 ARG HD3 . . 5.500 4.100 2.609 5.489 . 0 0 "[ . 1 . 2]" 1
749 1 36 LEU MD1 1 47 ARG HE . . 5.500 4.050 2.716 5.349 . 0 0 "[ . 1 . 2]" 1
750 1 36 LEU MD2 1 45 TYR QD . . 4.660 4.417 4.182 4.643 . 0 0 "[ . 1 . 2]" 1
751 1 36 LEU MD2 1 47 ARG H . . 5.500 4.830 3.847 5.401 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU MD2 1 47 ARG HB3 . . 4.720 3.563 2.635 3.915 . 0 0 "[ . 1 . 2]" 1
753 1 36 LEU MD2 1 47 ARG HD2 . . 5.500 3.966 2.927 4.933 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU MD2 1 47 ARG HD3 . . 5.500 4.026 2.959 5.132 . 0 0 "[ . 1 . 2]" 1
755 1 36 LEU MD2 1 47 ARG HE . . 5.500 3.796 2.584 5.406 . 0 0 "[ . 1 . 2]" 1
756 1 36 LEU HG 1 45 TYR QD . . 4.700 3.873 3.385 4.166 . 0 0 "[ . 1 . 2]" 1
757 1 36 LEU HG 1 46 VAL HA . . 4.350 3.654 3.357 4.036 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU HG 1 47 ARG H . . 4.590 4.238 3.852 4.470 . 0 0 "[ . 1 . 2]" 1
759 1 37 GLU H 1 37 GLU QB . . 3.450 2.609 2.347 2.744 . 0 0 "[ . 1 . 2]" 1
760 1 37 GLU H 1 37 GLU QG . . 4.730 4.200 3.860 4.301 . 0 0 "[ . 1 . 2]" 1
761 1 37 GLU H 1 38 LYS H . . 4.540 4.442 4.377 4.484 . 0 0 "[ . 1 . 2]" 1
762 1 37 GLU H 1 44 TRP HB3 . . 4.990 4.727 4.576 4.988 . 0 0 "[ . 1 . 2]" 1
763 1 37 GLU H 1 45 TYR H . . 3.730 3.205 2.995 3.433 . 0 0 "[ . 1 . 2]" 1
764 1 37 GLU H 1 45 TYR HA . . 5.300 4.733 4.481 4.932 . 0 0 "[ . 1 . 2]" 1
765 1 37 GLU H 1 45 TYR HB2 . . 3.920 3.521 3.268 3.854 . 0 0 "[ . 1 . 2]" 1
766 1 37 GLU H 1 45 TYR QB . . 3.210 2.180 1.925 2.466 . 0 0 "[ . 1 . 2]" 1
767 1 37 GLU H 1 45 TYR HB3 . . 3.920 2.202 1.937 2.495 . 0 0 "[ . 1 . 2]" 1
768 1 37 GLU H 1 45 TYR QD . . 4.370 3.677 3.316 3.921 . 0 0 "[ . 1 . 2]" 1
769 1 37 GLU H 1 46 VAL HA . . 5.180 4.958 4.764 5.106 . 0 0 "[ . 1 . 2]" 1
770 1 37 GLU HA 1 37 GLU HG2 . . 4.120 3.276 2.188 3.736 . 0 0 "[ . 1 . 2]" 1
771 1 37 GLU HA 1 37 GLU QG . . 3.520 2.482 2.166 3.000 . 0 0 "[ . 1 . 2]" 1
772 1 37 GLU HA 1 37 GLU HG3 . . 4.120 2.689 2.206 3.512 . 0 0 "[ . 1 . 2]" 1
773 1 37 GLU HA 1 38 LYS H . . 2.760 2.391 2.277 2.572 . 0 0 "[ . 1 . 2]" 1
774 1 37 GLU QB 1 38 LYS H . . 4.230 3.149 2.094 3.355 . 0 0 "[ . 1 . 2]" 1
775 1 37 GLU QB 1 45 TYR H . . 3.910 3.568 3.009 3.833 . 0 0 "[ . 1 . 2]" 1
776 1 37 GLU QB 1 45 TYR QB . . 3.230 2.720 2.146 3.054 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLU QB 1 54 TRP HH2 . . 4.540 2.834 2.222 3.513 . 0 0 "[ . 1 . 2]" 1
778 1 37 GLU QB 1 54 TRP HZ3 . . 4.810 3.630 2.827 4.319 . 0 0 "[ . 1 . 2]" 1
779 1 37 GLU HB2 1 38 LYS H . . 4.820 3.947 3.595 4.143 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLU HB3 1 38 LYS H . . 4.820 3.323 2.108 3.598 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLU QG 1 38 LYS H . . 3.480 2.123 1.827 3.202 . 0 0 "[ . 1 . 2]" 1
782 1 37 GLU QG 1 54 TRP HH2 . . 4.900 3.599 2.489 4.706 . 0 0 "[ . 1 . 2]" 1
783 1 37 GLU HG2 1 38 LYS H . . 4.010 2.938 1.928 3.899 . 0 0 "[ . 1 . 2]" 1
784 1 37 GLU HG3 1 38 LYS H . . 4.010 2.486 1.915 3.819 . 0 0 "[ . 1 . 2]" 1
785 1 38 LYS H 1 38 LYS HB2 . . 3.290 2.635 2.463 2.852 . 0 0 "[ . 1 . 2]" 1
786 1 38 LYS H 1 38 LYS HB3 . . 3.900 3.765 3.627 3.888 . 0 0 "[ . 1 . 2]" 1
787 1 38 LYS H 1 38 LYS QG . . 3.350 3.181 2.879 3.351 0.001 10 0 "[ . 1 . 2]" 1
788 1 38 LYS H 1 45 TYR H . . 5.120 4.791 4.450 5.013 . 0 0 "[ . 1 . 2]" 1
789 1 38 LYS HA 1 38 LYS HG2 . . 3.830 2.411 2.221 2.625 . 0 0 "[ . 1 . 2]" 1
790 1 38 LYS HA 1 38 LYS QG . . 3.300 2.326 2.176 2.483 . 0 0 "[ . 1 . 2]" 1
791 1 38 LYS HA 1 38 LYS HG3 . . 3.830 3.104 2.918 3.295 . 0 0 "[ . 1 . 2]" 1
792 1 38 LYS HA 1 39 GLN H . . 2.920 2.199 2.144 2.283 . 0 0 "[ . 1 . 2]" 1
793 1 38 LYS HA 1 44 TRP HA . . 3.590 2.364 2.170 2.663 . 0 0 "[ . 1 . 2]" 1
794 1 38 LYS HA 1 44 TRP HB3 . . 4.870 3.038 2.776 3.357 . 0 0 "[ . 1 . 2]" 1
795 1 38 LYS HA 1 44 TRP HD1 . . 3.740 2.679 2.382 2.981 . 0 0 "[ . 1 . 2]" 1
796 1 38 LYS HA 1 44 TRP HE1 . . 4.520 4.398 4.103 4.519 . 0 0 "[ . 1 . 2]" 1
797 1 38 LYS HA 1 45 TYR H . . 3.910 3.273 3.085 3.485 . 0 0 "[ . 1 . 2]" 1
798 1 38 LYS HB2 1 38 LYS HD2 . . 4.070 2.645 2.367 3.045 . 0 0 "[ . 1 . 2]" 1
799 1 38 LYS HB2 1 38 LYS QD . . 3.510 2.529 2.305 2.946 . 0 0 "[ . 1 . 2]" 1
800 1 38 LYS HB2 1 38 LYS HD3 . . 4.070 3.292 2.631 3.923 . 0 0 "[ . 1 . 2]" 1
801 1 38 LYS HB2 1 39 GLN H . . 4.340 4.148 3.883 4.331 . 0 0 "[ . 1 . 2]" 1
802 1 38 LYS HB2 1 44 TRP HE1 . . 5.200 5.003 4.629 5.203 0.003 10 0 "[ . 1 . 2]" 1
803 1 38 LYS HB3 1 38 LYS QD . . 3.590 2.300 2.093 2.468 . 0 0 "[ . 1 . 2]" 1
804 1 38 LYS HB3 1 39 GLN H . . 3.740 3.081 2.739 3.400 . 0 0 "[ . 1 . 2]" 1
805 1 38 LYS HB3 1 44 TRP HD1 . . 4.590 3.328 3.010 3.835 . 0 0 "[ . 1 . 2]" 1
806 1 38 LYS HB3 1 44 TRP HE1 . . 3.740 3.265 2.910 3.488 . 0 0 "[ . 1 . 2]" 1
807 1 38 LYS HB3 1 44 TRP HZ2 . . 5.430 4.795 4.187 5.170 . 0 0 "[ . 1 . 2]" 1
808 1 38 LYS QD 1 44 TRP HE1 . . 4.310 3.566 3.164 3.929 . 0 0 "[ . 1 . 2]" 1
809 1 38 LYS QD 1 44 TRP HZ2 . . 4.100 3.495 2.827 4.025 . 0 0 "[ . 1 . 2]" 1
810 1 38 LYS QE 1 38 LYS QG . . 3.140 2.167 2.042 2.553 . 0 0 "[ . 1 . 2]" 1
811 1 38 LYS QE 1 44 TRP HE3 . . 4.410 3.334 2.567 4.444 0.034 15 0 "[ . 1 . 2]" 1
812 1 38 LYS QE 1 44 TRP HH2 . . 4.360 3.976 3.463 4.327 . 0 0 "[ . 1 . 2]" 1
813 1 38 LYS QE 1 44 TRP HZ2 . . 4.660 4.395 3.948 4.660 0.000 9 0 "[ . 1 . 2]" 1
814 1 38 LYS HE2 1 38 LYS HG2 . . 4.150 3.108 2.156 4.119 . 0 0 "[ . 1 . 2]" 1
815 1 38 LYS HE2 1 38 LYS HG3 . . 4.150 3.191 2.116 3.811 . 0 0 "[ . 1 . 2]" 1
816 1 38 LYS HE3 1 38 LYS HG2 . . 4.150 3.037 2.279 4.195 0.045 15 0 "[ . 1 . 2]" 1
817 1 38 LYS HE3 1 38 LYS HG3 . . 4.150 2.706 2.141 3.578 . 0 0 "[ . 1 . 2]" 1
818 1 38 LYS QG 1 39 GLN H . . 4.250 3.917 3.695 4.104 . 0 0 "[ . 1 . 2]" 1
819 1 38 LYS QG 1 44 TRP HA . . 5.220 3.533 3.248 3.763 . 0 0 "[ . 1 . 2]" 1
820 1 38 LYS QG 1 44 TRP HE1 . . 4.350 4.081 3.760 4.371 0.021 15 0 "[ . 1 . 2]" 1
821 1 39 GLN H 1 39 GLN HB2 . . 3.270 2.425 2.279 2.518 . 0 0 "[ . 1 . 2]" 1
822 1 39 GLN H 1 39 GLN HB3 . . 4.050 3.640 3.548 3.699 . 0 0 "[ . 1 . 2]" 1
823 1 39 GLN H 1 39 GLN HG2 . . 4.370 3.470 2.796 4.149 . 0 0 "[ . 1 . 2]" 1
824 1 39 GLN H 1 39 GLN HG3 . . 4.370 3.584 2.821 4.269 . 0 0 "[ . 1 . 2]" 1
825 1 39 GLN H 1 44 TRP HA . . 3.780 2.866 2.681 3.021 . 0 0 "[ . 1 . 2]" 1
826 1 39 GLN H 1 44 TRP HD1 . . 3.130 1.987 1.900 2.279 . 0 0 "[ . 1 . 2]" 1
827 1 39 GLN H 1 44 TRP HE1 . . 3.890 3.664 3.412 3.871 . 0 0 "[ . 1 . 2]" 1
828 1 39 GLN H 1 45 TYR H . . 4.820 4.544 4.286 4.774 . 0 0 "[ . 1 . 2]" 1
829 1 39 GLN H 1 54 TRP HZ3 . . 4.340 3.437 3.186 3.650 . 0 0 "[ . 1 . 2]" 1
830 1 39 GLN HA 1 39 GLN HG2 . . 4.060 2.545 2.242 3.020 . 0 0 "[ . 1 . 2]" 1
831 1 39 GLN HA 1 39 GLN QG . . 3.540 2.476 2.203 2.871 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLN HA 1 39 GLN HG3 . . 4.060 3.421 2.879 3.769 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLN HB2 1 41 SER H . . 4.430 3.830 2.918 4.307 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLN HB2 1 42 GLY H . . 4.640 3.193 2.963 3.404 . 0 0 "[ . 1 . 2]" 1
835 1 39 GLN HB2 1 43 TRP H . . 3.910 3.305 2.291 3.785 . 0 0 "[ . 1 . 2]" 1
836 1 39 GLN HB2 1 43 TRP HB2 . . 4.510 3.392 2.716 3.923 . 0 0 "[ . 1 . 2]" 1
837 1 39 GLN HB2 1 44 TRP H . . 5.500 5.298 5.054 5.507 0.007 15 0 "[ . 1 . 2]" 1
838 1 39 GLN HB2 1 44 TRP HD1 . . 4.750 3.544 3.236 3.665 . 0 0 "[ . 1 . 2]" 1
839 1 39 GLN HB2 1 54 TRP HZ3 . . 4.770 3.517 3.038 4.217 . 0 0 "[ . 1 . 2]" 1
840 1 39 GLN HB3 1 39 GLN QE . . 4.370 3.267 2.024 4.001 . 0 0 "[ . 1 . 2]" 1
841 1 39 GLN HB3 1 41 SER H . . 4.030 2.728 2.381 3.374 . 0 0 "[ . 1 . 2]" 1
842 1 39 GLN HB3 1 41 SER QB . . 4.700 3.073 2.549 3.838 . 0 0 "[ . 1 . 2]" 1
843 1 39 GLN HB3 1 43 TRP H . . 4.640 4.233 3.561 4.583 . 0 0 "[ . 1 . 2]" 1
844 1 39 GLN QG 1 54 TRP HH2 . . 3.770 2.913 2.520 3.519 . 0 0 "[ . 1 . 2]" 1
845 1 39 GLN QG 1 54 TRP HZ2 . . 5.340 4.662 4.320 5.057 . 0 0 "[ . 1 . 2]" 1
846 1 39 GLN QG 1 54 TRP HZ3 . . 3.600 2.161 1.926 2.523 . 0 0 "[ . 1 . 2]" 1
847 1 39 GLN HG2 1 54 TRP HH2 . . 4.380 3.461 2.683 4.322 . 0 0 "[ . 1 . 2]" 1
848 1 39 GLN HG2 1 54 TRP HZ3 . . 4.290 2.965 2.006 4.143 . 0 0 "[ . 1 . 2]" 1
849 1 39 GLN HG3 1 54 TRP HH2 . . 4.380 3.375 2.571 4.367 . 0 0 "[ . 1 . 2]" 1
850 1 39 GLN HG3 1 54 TRP HZ3 . . 4.290 2.532 2.026 3.858 . 0 0 "[ . 1 . 2]" 1
851 1 40 GLU HA 1 40 GLU QG . . 3.730 2.647 2.188 3.430 . 0 0 "[ . 1 . 2]" 1
852 1 41 SER H 1 41 SER QB . . 3.610 2.379 2.147 2.569 . 0 0 "[ . 1 . 2]" 1
853 1 41 SER H 1 42 GLY H . . 4.310 2.908 2.101 3.131 . 0 0 "[ . 1 . 2]" 1
854 1 41 SER QB 1 43 TRP H . . 4.350 2.988 2.553 3.701 . 0 0 "[ . 1 . 2]" 1
855 1 41 SER QB 1 43 TRP HD1 . . 3.680 3.106 2.384 3.509 . 0 0 "[ . 1 . 2]" 1
856 1 41 SER HB2 1 43 TRP HD1 . . 4.540 3.829 2.982 4.489 . 0 0 "[ . 1 . 2]" 1
857 1 41 SER HB3 1 43 TRP HD1 . . 4.540 3.535 2.403 4.540 . 2 0 "[ . 1 . 2]" 1
858 1 42 GLY H 1 43 TRP H . . 3.110 2.108 1.800 2.526 . 0 0 "[ . 1 . 2]" 1
859 1 42 GLY H 1 44 TRP HE1 . . 4.630 4.142 3.703 4.475 . 0 0 "[ . 1 . 2]" 1
860 1 42 GLY QA 1 43 TRP HD1 . . 4.730 3.848 3.276 4.268 . 0 0 "[ . 1 . 2]" 1
861 1 42 GLY QA 1 44 TRP HD1 . . 5.110 4.080 3.869 4.264 . 0 0 "[ . 1 . 2]" 1
862 1 42 GLY QA 1 44 TRP HE1 . . 3.820 2.951 2.588 3.182 . 0 0 "[ . 1 . 2]" 1
863 1 42 GLY QA 1 44 TRP HZ2 . . 5.340 4.472 3.937 4.762 . 0 0 "[ . 1 . 2]" 1
864 1 43 TRP H 1 43 TRP HB2 . . 3.100 2.369 2.334 2.430 . 0 0 "[ . 1 . 2]" 1
865 1 43 TRP H 1 43 TRP HB3 . . 3.620 3.592 3.571 3.638 0.018 4 0 "[ . 1 . 2]" 1
866 1 43 TRP H 1 43 TRP HD1 . . 3.590 2.451 2.044 3.109 . 0 0 "[ . 1 . 2]" 1
867 1 43 TRP H 1 44 TRP H . . 4.780 4.490 4.316 4.560 . 0 0 "[ . 1 . 2]" 1
868 1 43 TRP H 1 44 TRP HD1 . . 4.350 4.094 3.471 4.276 . 0 0 "[ . 1 . 2]" 1
869 1 43 TRP HA 1 44 TRP H . . 2.890 2.151 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
870 1 43 TRP HA 1 54 TRP HE3 . . 4.870 4.419 4.103 4.743 . 0 0 "[ . 1 . 2]" 1
871 1 43 TRP HA 1 56 PRO HA . . 3.570 2.409 2.097 2.698 . 0 0 "[ . 1 . 2]" 1
872 1 43 TRP HA 1 57 SER H . . 3.650 3.404 2.673 3.653 0.003 20 0 "[ . 1 . 2]" 1
873 1 43 TRP HB2 1 43 TRP HD1 . . 3.830 2.776 2.672 2.948 . 0 0 "[ . 1 . 2]" 1
874 1 43 TRP HB2 1 44 TRP H . . 4.950 4.308 4.148 4.419 . 0 0 "[ . 1 . 2]" 1
875 1 43 TRP HB2 1 54 TRP HB3 . . 4.750 3.986 3.731 4.410 . 0 0 "[ . 1 . 2]" 1
876 1 43 TRP HB2 1 54 TRP HE3 . . 4.100 3.712 3.295 3.977 . 0 0 "[ . 1 . 2]" 1
877 1 43 TRP HB3 1 43 TRP HE3 . . 3.720 2.473 2.400 2.563 . 0 0 "[ . 1 . 2]" 1
878 1 43 TRP HB3 1 44 TRP H . . 4.020 3.362 3.145 3.561 . 0 0 "[ . 1 . 2]" 1
879 1 43 TRP HB3 1 54 TRP HB2 . . 4.780 4.072 3.760 4.354 . 0 0 "[ . 1 . 2]" 1
880 1 43 TRP HB3 1 54 TRP HB3 . . 4.310 2.534 2.231 2.771 . 0 0 "[ . 1 . 2]" 1
881 1 43 TRP HB3 1 54 TRP HE3 . . 3.650 2.902 2.398 3.281 . 0 0 "[ . 1 . 2]" 1
882 1 43 TRP HE3 1 44 TRP H . . 4.570 4.191 3.887 4.569 . 0 0 "[ . 1 . 2]" 1
883 1 43 TRP HE3 1 54 TRP HB2 . . 4.110 3.350 3.044 3.521 . 0 0 "[ . 1 . 2]" 1
884 1 43 TRP HE3 1 54 TRP HB3 . . 3.530 2.611 2.138 2.918 . 0 0 "[ . 1 . 2]" 1
885 1 43 TRP HE3 1 54 TRP HE3 . . 5.050 4.446 3.965 4.904 . 0 0 "[ . 1 . 2]" 1
886 1 43 TRP HE3 1 55 ALA H . . 3.960 3.836 3.409 3.968 0.008 14 0 "[ . 1 . 2]" 1
887 1 43 TRP HE3 1 55 ALA HA . . 3.970 3.086 2.835 3.529 . 0 0 "[ . 1 . 2]" 1
888 1 43 TRP HE3 1 56 PRO HA . . 4.670 4.114 3.852 4.357 . 0 0 "[ . 1 . 2]" 1
889 1 43 TRP HE3 1 56 PRO HD3 . . 4.630 3.340 3.074 3.851 . 0 0 "[ . 1 . 2]" 1
890 1 43 TRP HH2 1 56 PRO HB3 . . 4.780 4.517 3.859 4.781 0.001 8 0 "[ . 1 . 2]" 1
891 1 43 TRP HH2 1 56 PRO HD2 . . 5.240 4.920 4.710 5.202 . 0 0 "[ . 1 . 2]" 1
892 1 43 TRP HH2 1 56 PRO HD3 . . 4.490 3.354 3.077 3.626 . 0 0 "[ . 1 . 2]" 1
893 1 43 TRP HH2 1 56 PRO HG3 . . 4.350 3.976 3.637 4.350 0.000 4 0 "[ . 1 . 2]" 1
894 1 43 TRP HZ2 1 56 PRO HG3 . . 4.910 4.655 4.058 4.905 . 0 0 "[ . 1 . 2]" 1
895 1 43 TRP HZ3 1 55 ALA HA . . 3.710 2.860 2.459 3.199 . 0 0 "[ . 1 . 2]" 1
896 1 43 TRP HZ3 1 55 ALA MB . . 5.010 4.391 4.044 4.686 . 0 0 "[ . 1 . 2]" 1
897 1 43 TRP HZ3 1 56 PRO HD2 . . 4.820 3.877 3.605 4.334 . 0 0 "[ . 1 . 2]" 1
898 1 43 TRP HZ3 1 56 PRO HD3 . . 3.540 2.458 2.111 2.930 . 0 0 "[ . 1 . 2]" 1
899 1 44 TRP H 1 44 TRP HB2 . . 3.290 2.628 2.527 2.707 . 0 0 "[ . 1 . 2]" 1
900 1 44 TRP H 1 44 TRP HB3 . . 3.880 3.741 3.697 3.780 . 0 0 "[ . 1 . 2]" 1
901 1 44 TRP H 1 44 TRP HD1 . . 4.660 3.335 3.131 3.511 . 0 0 "[ . 1 . 2]" 1
902 1 44 TRP H 1 46 VAL MG1 . . 5.370 4.907 4.626 5.083 . 0 0 "[ . 1 . 2]" 1
903 1 44 TRP H 1 46 VAL MG2 . . 5.500 4.906 4.705 5.145 . 0 0 "[ . 1 . 2]" 1
904 1 44 TRP H 1 54 TRP HA . . 4.640 4.574 4.406 4.642 0.002 16 0 "[ . 1 . 2]" 1
905 1 44 TRP H 1 54 TRP HE3 . . 4.150 3.719 3.343 4.047 . 0 0 "[ . 1 . 2]" 1
906 1 44 TRP H 1 55 ALA H . . 3.840 3.596 3.364 3.830 . 0 0 "[ . 1 . 2]" 1
907 1 44 TRP H 1 55 ALA MB . . 4.710 4.312 4.129 4.506 . 0 0 "[ . 1 . 2]" 1
908 1 44 TRP H 1 56 PRO HA . . 4.250 3.367 2.945 3.726 . 0 0 "[ . 1 . 2]" 1
909 1 44 TRP H 1 57 SER H . . 4.350 3.865 3.524 4.161 . 0 0 "[ . 1 . 2]" 1
910 1 44 TRP H 1 57 SER HA . . 5.500 4.923 4.493 5.188 . 0 0 "[ . 1 . 2]" 1
911 1 44 TRP H 1 57 SER QB . . 4.870 4.424 4.041 4.580 . 0 0 "[ . 1 . 2]" 1
912 1 44 TRP HA 1 44 TRP HD1 . . 3.400 2.343 2.256 2.408 . 0 0 "[ . 1 . 2]" 1
913 1 44 TRP HA 1 44 TRP HE1 . . 4.880 4.827 4.745 4.881 0.001 14 0 "[ . 1 . 2]" 1
914 1 44 TRP HA 1 45 TYR H . . 2.970 2.234 2.190 2.312 . 0 0 "[ . 1 . 2]" 1
915 1 44 TRP HA 1 45 TYR QB . . 4.820 4.033 4.006 4.056 . 0 0 "[ . 1 . 2]" 1
916 1 44 TRP HA 1 46 VAL MG1 . . 5.500 5.218 5.096 5.307 . 0 0 "[ . 1 . 2]" 1
917 1 44 TRP HA 1 54 TRP HE3 . . 4.260 3.045 2.908 3.385 . 0 0 "[ . 1 . 2]" 1
918 1 44 TRP HA 1 54 TRP HZ3 . . 3.720 2.828 2.310 3.122 . 0 0 "[ . 1 . 2]" 1
919 1 44 TRP HB2 1 44 TRP HE3 . . 3.990 2.724 2.608 2.879 . 0 0 "[ . 1 . 2]" 1
920 1 44 TRP HB2 1 45 TYR H . . 3.970 3.904 3.688 3.976 0.006 15 0 "[ . 1 . 2]" 1
921 1 44 TRP HB2 1 46 VAL MG1 . . 4.070 3.330 3.158 3.455 . 0 0 "[ . 1 . 2]" 1
922 1 44 TRP HB2 1 46 VAL MG2 . . 4.560 4.392 4.143 4.559 . 0 0 "[ . 1 . 2]" 1
923 1 44 TRP HB2 1 55 ALA H . . 4.660 4.292 4.090 4.503 . 0 0 "[ . 1 . 2]" 1
924 1 44 TRP HB2 1 60 LEU MD1 . . 4.440 2.861 2.412 3.144 . 0 0 "[ . 1 . 2]" 1
925 1 44 TRP HB3 1 44 TRP HE3 . . 4.000 3.190 3.014 3.335 . 0 0 "[ . 1 . 2]" 1
926 1 44 TRP HB3 1 45 TYR H . . 3.500 2.920 2.690 3.087 . 0 0 "[ . 1 . 2]" 1
927 1 44 TRP HB3 1 46 VAL MG1 . . 4.180 3.828 3.675 4.028 . 0 0 "[ . 1 . 2]" 1
928 1 44 TRP HB3 1 60 LEU MD1 . . 4.660 3.998 3.524 4.358 . 0 0 "[ . 1 . 2]" 1
929 1 44 TRP HD1 1 45 TYR H . . 4.650 4.500 4.383 4.585 . 0 0 "[ . 1 . 2]" 1
930 1 44 TRP HD1 1 57 SER QB . . 4.630 4.371 4.098 4.560 . 0 0 "[ . 1 . 2]" 1
931 1 44 TRP HE1 1 57 SER QB . . 4.020 3.483 3.223 3.792 . 0 0 "[ . 1 . 2]" 1
932 1 44 TRP HE3 1 46 VAL MG1 . . 4.410 4.024 3.929 4.153 . 0 0 "[ . 1 . 2]" 1
933 1 44 TRP HE3 1 60 LEU HB3 . . 5.500 4.555 4.081 5.056 . 0 0 "[ . 1 . 2]" 1
934 1 44 TRP HE3 1 60 LEU MD1 . . 3.430 2.235 1.938 2.465 . 0 0 "[ . 1 . 2]" 1
935 1 44 TRP HE3 1 60 LEU MD2 . . 4.920 4.668 4.231 4.921 0.001 14 0 "[ . 1 . 2]" 1
936 1 44 TRP HH2 1 57 SER QB . . 4.820 2.927 2.456 3.871 . 0 0 "[ . 1 . 2]" 1
937 1 44 TRP HH2 1 60 LEU MD1 . . 5.200 4.934 4.617 5.198 . 0 0 "[ . 1 . 2]" 1
938 1 44 TRP HH2 1 62 LEU MD1 . . 4.140 2.693 1.929 3.717 . 0 0 "[ . 1 . 2]" 1
939 1 44 TRP HH2 1 62 LEU QD . . 3.480 2.164 1.907 2.596 . 0 0 "[ . 1 . 2]" 1
940 1 44 TRP HH2 1 62 LEU MD2 . . 4.140 2.891 1.918 3.984 . 0 0 "[ . 1 . 2]" 1
941 1 44 TRP HZ2 1 57 SER HB2 . . 4.750 3.310 2.893 3.825 . 0 0 "[ . 1 . 2]" 1
942 1 44 TRP HZ2 1 57 SER HB3 . . 4.750 3.387 2.941 4.218 . 0 0 "[ . 1 . 2]" 1
943 1 44 TRP HZ2 1 62 LEU MD1 . . 5.420 4.420 3.548 5.341 . 0 0 "[ . 1 . 2]" 1
944 1 44 TRP HZ2 1 62 LEU QD . . 4.530 3.844 3.108 4.297 . 0 0 "[ . 1 . 2]" 1
945 1 44 TRP HZ2 1 62 LEU MD2 . . 5.420 4.584 3.158 5.420 . 0 0 "[ . 1 . 2]" 1
946 1 44 TRP HZ3 1 60 LEU MD1 . . 3.880 3.141 2.733 3.450 . 0 0 "[ . 1 . 2]" 1
947 1 44 TRP HZ3 1 60 LEU MD2 . . 5.500 5.267 4.899 5.498 . 0 0 "[ . 1 . 2]" 1
948 1 44 TRP HZ3 1 62 LEU MD1 . . 5.270 3.326 1.939 4.364 . 0 0 "[ . 1 . 2]" 1
949 1 44 TRP HZ3 1 62 LEU QD . . 4.520 2.729 1.937 3.473 . 0 0 "[ . 1 . 2]" 1
950 1 44 TRP HZ3 1 62 LEU MD2 . . 5.270 3.443 2.340 4.862 . 0 0 "[ . 1 . 2]" 1
951 1 45 TYR H 1 45 TYR HB2 . . 3.330 2.433 2.348 2.507 . 0 0 "[ . 1 . 2]" 1
952 1 45 TYR H 1 45 TYR HB3 . . 3.330 2.752 2.695 2.811 . 0 0 "[ . 1 . 2]" 1
953 1 45 TYR H 1 45 TYR QD . . 4.450 4.141 4.082 4.181 . 0 0 "[ . 1 . 2]" 1
954 1 45 TYR H 1 46 VAL H . . 4.440 4.324 4.270 4.362 . 0 0 "[ . 1 . 2]" 1
955 1 45 TYR H 1 46 VAL MG1 . . 4.910 4.657 4.560 4.812 . 0 0 "[ . 1 . 2]" 1
956 1 45 TYR H 1 46 VAL MG2 . . 5.500 5.133 4.955 5.225 . 0 0 "[ . 1 . 2]" 1
957 1 45 TYR H 1 54 TRP HE3 . . 4.050 3.317 3.054 3.764 . 0 0 "[ . 1 . 2]" 1
958 1 45 TYR H 1 54 TRP HZ3 . . 3.990 2.870 2.521 3.262 . 0 0 "[ . 1 . 2]" 1
959 1 45 TYR HA 1 45 TYR QD . . 3.640 2.043 1.995 2.157 . 0 0 "[ . 1 . 2]" 1
960 1 45 TYR HA 1 46 VAL H . . 2.790 2.156 2.146 2.164 . 0 0 "[ . 1 . 2]" 1
961 1 45 TYR HA 1 46 VAL MG2 . . 3.950 3.547 3.468 3.602 . 0 0 "[ . 1 . 2]" 1
962 1 45 TYR HA 1 53 GLY H . . 5.140 4.851 4.619 5.080 . 0 0 "[ . 1 . 2]" 1
963 1 45 TYR HA 1 54 TRP HA . . 3.290 2.182 1.999 2.481 . 0 0 "[ . 1 . 2]" 1
964 1 45 TYR HA 1 54 TRP HE3 . . 4.470 3.384 3.177 3.669 . 0 0 "[ . 1 . 2]" 1
965 1 45 TYR HA 1 55 ALA H . . 3.980 3.405 3.257 3.619 . 0 0 "[ . 1 . 2]" 1
966 1 45 TYR QB 1 54 TRP HE3 . . 4.710 3.465 3.213 3.868 . 0 0 "[ . 1 . 2]" 1
967 1 45 TYR QB 1 54 TRP HH2 . . 4.560 2.998 2.771 3.244 . 0 0 "[ . 1 . 2]" 1
968 1 45 TYR QB 1 54 TRP HZ2 . . 4.480 3.423 3.139 3.674 . 0 0 "[ . 1 . 2]" 1
969 1 45 TYR QB 1 54 TRP HZ3 . . 4.390 3.019 2.802 3.346 . 0 0 "[ . 1 . 2]" 1
970 1 45 TYR QD 1 46 VAL H . . 4.220 3.494 3.334 3.722 . 0 0 "[ . 1 . 2]" 1
971 1 45 TYR QD 1 53 GLY HA2 . . 4.670 3.752 3.489 3.976 . 0 0 "[ . 1 . 2]" 1
972 1 45 TYR QD 1 54 TRP HA . . 4.160 2.573 2.341 2.740 . 0 0 "[ . 1 . 2]" 1
973 1 45 TYR QD 1 54 TRP HB2 . . 5.070 4.030 3.791 4.323 . 0 0 "[ . 1 . 2]" 1
974 1 45 TYR QD 1 54 TRP HD1 . . 5.150 3.253 3.020 3.624 . 0 0 "[ . 1 . 2]" 1
975 1 45 TYR QD 1 54 TRP HE1 . . 3.980 3.427 3.215 3.759 . 0 0 "[ . 1 . 2]" 1
976 1 45 TYR QD 1 54 TRP HE3 . . 4.930 3.831 3.622 3.969 . 0 0 "[ . 1 . 2]" 1
977 1 45 TYR QD 1 54 TRP HZ2 . . 4.920 4.047 3.863 4.260 . 0 0 "[ . 1 . 2]" 1
978 1 45 TYR QE 1 52 GLU QB . . 3.500 2.630 2.435 3.074 . 0 0 "[ . 1 . 2]" 1
979 1 45 TYR QE 1 53 GLY H . . 4.520 4.099 3.827 4.423 . 0 0 "[ . 1 . 2]" 1
980 1 45 TYR QE 1 53 GLY HA2 . . 3.500 2.415 2.024 2.782 . 0 0 "[ . 1 . 2]" 1
981 1 45 TYR QE 1 53 GLY HA3 . . 4.490 4.060 3.688 4.444 . 0 0 "[ . 1 . 2]" 1
982 1 45 TYR QE 1 54 TRP H . . 4.500 3.462 2.970 3.757 . 0 0 "[ . 1 . 2]" 1
983 1 45 TYR QE 1 54 TRP HD1 . . 4.650 2.851 2.469 3.407 . 0 0 "[ . 1 . 2]" 1
984 1 45 TYR QE 1 54 TRP HE1 . . 4.220 3.148 2.842 3.593 . 0 0 "[ . 1 . 2]" 1
985 1 46 VAL H 1 46 VAL HB . . 3.820 3.605 3.565 3.634 . 0 0 "[ . 1 . 2]" 1
986 1 46 VAL H 1 46 VAL MG1 . . 3.960 3.042 2.954 3.171 . 0 0 "[ . 1 . 2]" 1
987 1 46 VAL H 1 46 VAL MG2 . . 3.040 1.921 1.844 1.966 . 0 0 "[ . 1 . 2]" 1
988 1 46 VAL H 1 47 ARG H . . 4.720 4.528 4.505 4.547 . 0 0 "[ . 1 . 2]" 1
989 1 46 VAL H 1 52 GLU QB . . 5.100 4.917 4.703 5.096 . 0 0 "[ . 1 . 2]" 1
990 1 46 VAL H 1 53 GLY H . . 3.680 3.618 3.445 3.692 0.012 20 0 "[ . 1 . 2]" 1
991 1 46 VAL H 1 54 TRP HA . . 3.870 2.941 2.657 3.164 . 0 0 "[ . 1 . 2]" 1
992 1 46 VAL H 1 55 ALA H . . 4.680 3.070 2.891 3.382 . 0 0 "[ . 1 . 2]" 1
993 1 46 VAL H 1 55 ALA MB . . 4.920 3.936 3.794 4.089 . 0 0 "[ . 1 . 2]" 1
994 1 46 VAL HA 1 46 VAL MG1 . . 3.390 2.244 2.217 2.266 . 0 0 "[ . 1 . 2]" 1
995 1 46 VAL HA 1 46 VAL MG2 . . 3.730 3.167 3.149 3.177 . 0 0 "[ . 1 . 2]" 1
996 1 46 VAL HA 1 47 ARG H . . 2.800 2.448 2.375 2.505 . 0 0 "[ . 1 . 2]" 1
997 1 46 VAL HB 1 47 ARG H . . 3.160 2.304 2.167 2.488 . 0 0 "[ . 1 . 2]" 1
998 1 46 VAL HB 1 48 PHE HB2 . . 5.360 4.718 4.545 4.849 . 0 0 "[ . 1 . 2]" 1
999 1 46 VAL HB 1 55 ALA MB . . 4.940 4.206 3.934 4.409 . 0 0 "[ . 1 . 2]" 1
1000 1 46 VAL HB 1 60 LEU MD1 . . 5.500 4.535 4.190 4.878 . 0 0 "[ . 1 . 2]" 1
1001 1 46 VAL HB 1 60 LEU MD2 . . 5.270 4.245 3.929 4.655 . 0 0 "[ . 1 . 2]" 1
1002 1 46 VAL MG1 1 47 ARG H . . 3.280 3.231 3.084 3.280 0.000 4 0 "[ . 1 . 2]" 1
1003 1 46 VAL MG1 1 60 LEU MD1 . . 3.570 2.186 1.872 2.459 . 0 0 "[ . 1 . 2]" 1
1004 1 46 VAL MG1 1 60 LEU MD2 . . 3.440 2.407 1.934 2.847 . 0 0 "[ . 1 . 2]" 1
1005 1 46 VAL MG2 1 47 ARG H . . 4.170 3.691 3.586 3.848 . 0 0 "[ . 1 . 2]" 1
1006 1 46 VAL MG2 1 52 GLU HA . . 5.240 4.374 4.306 4.488 . 0 0 "[ . 1 . 2]" 1
1007 1 46 VAL MG2 1 53 GLY H . . 3.500 2.911 2.794 3.069 . 0 0 "[ . 1 . 2]" 1
1008 1 46 VAL MG2 1 53 GLY HA2 . . 4.750 4.597 4.415 4.724 . 0 0 "[ . 1 . 2]" 1
1009 1 46 VAL MG2 1 53 GLY HA3 . . 4.880 3.842 3.644 3.991 . 0 0 "[ . 1 . 2]" 1
1010 1 46 VAL MG2 1 54 TRP H . . 4.710 4.529 4.225 4.708 . 0 0 "[ . 1 . 2]" 1
1011 1 46 VAL MG2 1 54 TRP HA . . 4.720 3.393 3.092 3.598 . 0 0 "[ . 1 . 2]" 1
1012 1 46 VAL MG2 1 55 ALA H . . 3.910 2.347 1.996 2.600 . 0 0 "[ . 1 . 2]" 1
1013 1 46 VAL MG2 1 55 ALA HA . . 5.010 4.009 3.763 4.211 . 0 0 "[ . 1 . 2]" 1
1014 1 46 VAL MG2 1 55 ALA MB . . 3.320 2.000 1.817 2.149 . 0 0 "[ . 1 . 2]" 1
1015 1 47 ARG H 1 47 ARG HB2 . . 3.440 3.239 3.099 3.363 . 0 0 "[ . 1 . 2]" 1
1016 1 47 ARG H 1 47 ARG HB3 . . 3.420 2.679 2.566 2.833 . 0 0 "[ . 1 . 2]" 1
1017 1 47 ARG H 1 47 ARG QD . . 5.340 4.838 4.032 5.235 . 0 0 "[ . 1 . 2]" 1
1018 1 47 ARG HA 1 47 ARG QG . . 3.620 2.512 2.381 2.621 . 0 0 "[ . 1 . 2]" 1
1019 1 47 ARG HA 1 48 PHE H . . 2.790 2.143 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
1020 1 47 ARG HA 1 52 GLU HA . . 3.210 2.075 2.001 2.179 . 0 0 "[ . 1 . 2]" 1
1021 1 47 ARG HA 1 52 GLU QB . . 4.460 3.567 3.234 3.879 . 0 0 "[ . 1 . 2]" 1
1022 1 47 ARG HA 1 52 GLU HG2 . . 4.580 3.076 2.461 4.007 . 0 0 "[ . 1 . 2]" 1
1023 1 47 ARG HA 1 52 GLU QG . . 3.870 2.565 2.195 2.884 . 0 0 "[ . 1 . 2]" 1
1024 1 47 ARG HA 1 52 GLU HG3 . . 4.580 3.096 2.208 3.692 . 0 0 "[ . 1 . 2]" 1
1025 1 47 ARG HA 1 53 GLY H . . 4.000 3.319 3.195 3.489 . 0 0 "[ . 1 . 2]" 1
1026 1 47 ARG HB2 1 47 ARG QD . . 3.270 2.596 2.144 3.224 . 0 0 "[ . 1 . 2]" 1
1027 1 47 ARG HB2 1 52 GLU HA . . 4.620 3.702 3.551 3.845 . 0 0 "[ . 1 . 2]" 1
1028 1 47 ARG HB2 1 52 GLU HG2 . . 4.430 2.230 1.999 2.895 . 0 0 "[ . 1 . 2]" 1
1029 1 47 ARG HB2 1 52 GLU QG . . 3.590 2.025 1.972 2.305 . 0 0 "[ . 1 . 2]" 1
1030 1 47 ARG HB2 1 52 GLU HG3 . . 4.430 3.082 2.010 3.863 . 0 0 "[ . 1 . 2]" 1
1031 1 47 ARG HB3 1 47 ARG HD2 . . 3.890 3.000 2.104 3.889 . 0 0 "[ . 1 . 2]" 1
1032 1 47 ARG HB3 1 47 ARG HD3 . . 3.890 3.121 2.241 3.704 . 0 0 "[ . 1 . 2]" 1
1033 1 47 ARG HB3 1 47 ARG HE . . 4.810 3.255 1.930 4.809 . 0 0 "[ . 1 . 2]" 1
1034 1 47 ARG HB3 1 48 PHE H . . 4.520 4.293 4.219 4.374 . 0 0 "[ . 1 . 2]" 1
1035 1 47 ARG QD 1 48 PHE H . . 5.340 4.744 3.209 4.981 . 0 0 "[ . 1 . 2]" 1
1036 1 47 ARG QD 1 52 GLU QG . . 4.760 2.983 2.096 3.996 . 0 0 "[ . 1 . 2]" 1
1037 1 47 ARG HE 1 52 GLU QG . . 4.460 3.576 1.997 4.465 0.005 15 0 "[ . 1 . 2]" 1
1038 1 47 ARG QG 1 48 PHE H . . 3.330 2.870 2.706 2.960 . 0 0 "[ . 1 . 2]" 1
1039 1 47 ARG QG 1 48 PHE HA . . 4.660 3.795 3.601 4.419 . 0 0 "[ . 1 . 2]" 1
1040 1 47 ARG QG 1 49 GLY H . . 4.450 3.330 3.052 4.317 . 0 0 "[ . 1 . 2]" 1
1041 1 47 ARG QG 1 52 GLU HA . . 4.850 3.459 3.018 3.699 . 0 0 "[ . 1 . 2]" 1
1042 1 47 ARG QG 1 52 GLU HG2 . . 4.310 2.620 1.985 3.590 . 0 0 "[ . 1 . 2]" 1
1043 1 47 ARG QG 1 52 GLU QG . . 3.530 2.033 1.812 2.283 . 0 0 "[ . 1 . 2]" 1
1044 1 47 ARG QG 1 52 GLU HG3 . . 4.310 2.238 1.995 2.709 . 0 0 "[ . 1 . 2]" 1
1045 1 48 PHE H 1 48 PHE HB2 . . 4.020 2.965 2.791 3.058 . 0 0 "[ . 1 . 2]" 1
1046 1 48 PHE H 1 48 PHE HB3 . . 3.470 2.661 2.608 2.742 . 0 0 "[ . 1 . 2]" 1
1047 1 48 PHE H 1 48 PHE QD . . 4.800 4.318 4.297 4.339 . 0 0 "[ . 1 . 2]" 1
1048 1 48 PHE H 1 51 LEU H . . 3.900 3.498 3.205 3.908 0.008 16 0 "[ . 1 . 2]" 1
1049 1 48 PHE H 1 51 LEU HB2 . . 4.190 3.674 3.431 3.879 . 0 0 "[ . 1 . 2]" 1
1050 1 48 PHE H 1 52 GLU HA . . 3.800 3.051 2.666 3.268 . 0 0 "[ . 1 . 2]" 1
1051 1 48 PHE H 1 53 GLY H . . 4.710 4.155 3.915 4.399 . 0 0 "[ . 1 . 2]" 1
1052 1 48 PHE HA 1 48 PHE QD . . 3.280 2.245 2.052 3.102 . 0 0 "[ . 1 . 2]" 1
1053 1 48 PHE HA 1 49 GLY H . . 2.960 2.220 2.161 2.241 . 0 0 "[ . 1 . 2]" 1
1054 1 48 PHE HA 1 49 GLY HA2 . . 4.840 4.401 4.385 4.419 . 0 0 "[ . 1 . 2]" 1
1055 1 48 PHE HA 1 49 GLY HA3 . . 4.840 4.336 4.325 4.356 . 0 0 "[ . 1 . 2]" 1
1056 1 48 PHE HB2 1 49 GLY H . . 4.950 4.551 4.479 4.609 . 0 0 "[ . 1 . 2]" 1
1057 1 48 PHE HB2 1 51 LEU HB2 . . 5.500 5.005 4.463 5.298 . 0 0 "[ . 1 . 2]" 1
1058 1 48 PHE HB3 1 51 LEU HB2 . . 4.660 3.404 2.939 3.671 . 0 0 "[ . 1 . 2]" 1
1059 1 48 PHE QD 1 49 GLY H . . 3.950 3.634 3.424 3.949 . 0 0 "[ . 1 . 2]" 1
1060 1 48 PHE QD 1 51 LEU QD . . 4.210 3.711 3.163 4.055 . 0 0 "[ . 1 . 2]" 1
1061 1 49 GLY QA 1 50 GLU H . . 2.820 2.151 2.110 2.205 . 0 0 "[ . 1 . 2]" 1
1062 1 49 GLY QA 1 51 LEU H . . 3.800 3.582 3.362 3.769 . 0 0 "[ . 1 . 2]" 1
1063 1 49 GLY HA2 1 51 LEU H . . 4.660 4.568 4.228 4.670 0.010 10 0 "[ . 1 . 2]" 1
1064 1 49 GLY HA3 1 51 LEU H . . 4.660 3.747 3.472 3.983 . 0 0 "[ . 1 . 2]" 1
1065 1 50 GLU H 1 50 GLU QB . . 3.560 2.513 2.287 2.974 . 0 0 "[ . 1 . 2]" 1
1066 1 50 GLU H 1 50 GLU HG2 . . 4.610 4.062 2.015 4.713 0.103 16 0 "[ . 1 . 2]" 1
1067 1 50 GLU H 1 50 GLU HG3 . . 4.610 4.156 2.849 4.631 0.021 14 0 "[ . 1 . 2]" 1
1068 1 50 GLU H 1 51 LEU H . . 3.100 2.484 2.038 2.943 . 0 0 "[ . 1 . 2]" 1
1069 1 50 GLU H 1 51 LEU HG . . 4.720 3.643 3.131 4.733 0.013 16 0 "[ . 1 . 2]" 1
1070 1 50 GLU HA 1 50 GLU QG . . 3.440 2.583 2.155 3.339 . 0 0 "[ . 1 . 2]" 1
1071 1 50 GLU QB 1 51 LEU H . . 4.100 3.707 3.237 4.039 . 0 0 "[ . 1 . 2]" 1
1072 1 50 GLU QB 1 51 LEU QD . . 4.220 3.261 2.330 3.907 . 0 0 "[ . 1 . 2]" 1
1073 1 50 GLU HB2 1 51 LEU H . . 4.910 4.302 3.460 4.598 . 0 0 "[ . 1 . 2]" 1
1074 1 50 GLU HB3 1 51 LEU H . . 4.910 4.117 3.370 4.594 . 0 0 "[ . 1 . 2]" 1
1075 1 50 GLU QG 1 51 LEU H . . 5.300 4.325 3.035 4.901 . 0 0 "[ . 1 . 2]" 1
1076 1 50 GLU QG 1 51 LEU QD . . 5.280 3.776 1.737 4.985 . 0 0 "[ . 1 . 2]" 1
1077 1 51 LEU H 1 51 LEU HB2 . . 3.130 2.763 2.515 2.909 . 0 0 "[ . 1 . 2]" 1
1078 1 51 LEU H 1 51 LEU HB3 . . 4.020 3.836 3.683 3.922 . 0 0 "[ . 1 . 2]" 1
1079 1 51 LEU H 1 51 LEU MD1 . . 4.150 3.548 1.964 4.147 . 0 0 "[ . 1 . 2]" 1
1080 1 51 LEU H 1 51 LEU MD2 . . 4.150 4.048 3.910 4.162 0.012 15 0 "[ . 1 . 2]" 1
1081 1 51 LEU H 1 51 LEU HG . . 3.630 3.222 3.030 3.624 . 0 0 "[ . 1 . 2]" 1
1082 1 51 LEU H 1 52 GLU H . . 4.600 4.436 4.335 4.545 . 0 0 "[ . 1 . 2]" 1
1083 1 51 LEU HA 1 51 LEU MD1 . . 4.440 3.754 3.161 3.959 . 0 0 "[ . 1 . 2]" 1
1084 1 51 LEU HA 1 51 LEU QD . . 3.000 2.411 2.114 3.049 0.049 20 0 "[ . 1 . 2]" 1
1085 1 51 LEU HA 1 51 LEU MD2 . . 4.440 2.588 2.123 3.700 . 0 0 "[ . 1 . 2]" 1
1086 1 51 LEU HA 1 51 LEU HG . . 4.200 2.926 2.521 3.110 . 0 0 "[ . 1 . 2]" 1
1087 1 51 LEU HA 1 52 GLU H . . 2.730 2.341 2.223 2.448 . 0 0 "[ . 1 . 2]" 1
1088 1 51 LEU HB2 1 52 GLU H . . 4.070 3.666 3.452 3.919 . 0 0 "[ . 1 . 2]" 1
1089 1 51 LEU HB3 1 51 LEU MD1 . . 3.430 2.680 2.413 3.172 . 0 0 "[ . 1 . 2]" 1
1090 1 51 LEU HB3 1 51 LEU QD . . 3.000 2.113 2.069 2.159 . 0 0 "[ . 1 . 2]" 1
1091 1 51 LEU HB3 1 51 LEU MD2 . . 3.430 2.240 2.097 2.328 . 0 0 "[ . 1 . 2]" 1
1092 1 51 LEU HB3 1 52 GLU H . . 3.490 2.585 2.334 2.921 . 0 0 "[ . 1 . 2]" 1
1093 1 51 LEU QD 1 52 GLU H . . 4.150 3.572 3.315 4.035 . 0 0 "[ . 1 . 2]" 1
1094 1 52 GLU H 1 52 GLU QB . . 3.280 2.687 2.511 2.798 . 0 0 "[ . 1 . 2]" 1
1095 1 52 GLU H 1 52 GLU HG2 . . 4.760 4.460 4.193 4.714 . 0 0 "[ . 1 . 2]" 1
1096 1 52 GLU H 1 52 GLU QG . . 4.020 3.253 2.910 3.799 . 0 0 "[ . 1 . 2]" 1
1097 1 52 GLU H 1 52 GLU HG3 . . 4.760 3.353 2.959 4.023 . 0 0 "[ . 1 . 2]" 1
1098 1 52 GLU HA 1 52 GLU HG2 . . 4.220 2.981 2.685 3.535 . 0 0 "[ . 1 . 2]" 1
1099 1 52 GLU HA 1 52 GLU QG . . 3.620 2.431 2.244 2.566 . 0 0 "[ . 1 . 2]" 1
1100 1 52 GLU HA 1 52 GLU HG3 . . 4.220 2.664 2.270 2.902 . 0 0 "[ . 1 . 2]" 1
1101 1 52 GLU HA 1 53 GLY H . . 2.850 2.146 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
1102 1 52 GLU QB 1 53 GLY H . . 3.500 3.284 3.191 3.423 . 0 0 "[ . 1 . 2]" 1
1103 1 52 GLU QB 1 53 GLY HA2 . . 4.870 4.119 4.074 4.170 . 0 0 "[ . 1 . 2]" 1
1104 1 52 GLU QB 1 53 GLY HA3 . . 5.100 4.897 4.865 4.967 . 0 0 "[ . 1 . 2]" 1
1105 1 52 GLU QG 1 53 GLY H . . 4.470 4.149 3.920 4.349 . 0 0 "[ . 1 . 2]" 1
1106 1 52 GLU HG2 1 53 GLY H . . 5.170 4.704 4.270 5.159 . 0 0 "[ . 1 . 2]" 1
1107 1 52 GLU HG3 1 53 GLY H . . 5.170 4.711 4.155 4.976 . 0 0 "[ . 1 . 2]" 1
1108 1 53 GLY H 1 54 TRP H . . 4.790 4.456 4.436 4.474 . 0 0 "[ . 1 . 2]" 1
1109 1 53 GLY HA2 1 54 TRP H . . 3.250 2.391 2.297 2.492 . 0 0 "[ . 1 . 2]" 1
1110 1 53 GLY HA3 1 54 TRP H . . 3.280 2.752 2.634 2.872 . 0 0 "[ . 1 . 2]" 1
1111 1 54 TRP H 1 54 TRP HB2 . . 3.320 2.413 2.362 2.459 . 0 0 "[ . 1 . 2]" 1
1112 1 54 TRP H 1 54 TRP HB3 . . 3.800 3.628 3.593 3.659 . 0 0 "[ . 1 . 2]" 1
1113 1 54 TRP H 1 54 TRP HD1 . . 3.530 2.733 2.588 2.957 . 0 0 "[ . 1 . 2]" 1
1114 1 54 TRP HA 1 54 TRP HE3 . . 3.860 3.209 3.035 3.437 . 0 0 "[ . 1 . 2]" 1
1115 1 54 TRP HA 1 55 ALA H . . 2.840 2.152 2.140 2.170 . 0 0 "[ . 1 . 2]" 1
1116 1 54 TRP HA 1 55 ALA MB . . 4.740 4.038 3.977 4.077 . 0 0 "[ . 1 . 2]" 1
1117 1 54 TRP HB2 1 54 TRP HD1 . . 3.870 2.673 2.629 2.730 . 0 0 "[ . 1 . 2]" 1
1118 1 54 TRP HB2 1 55 ALA H . . 4.530 4.423 4.368 4.482 . 0 0 "[ . 1 . 2]" 1
1119 1 54 TRP HB3 1 54 TRP HE3 . . 3.780 2.564 2.497 2.631 . 0 0 "[ . 1 . 2]" 1
1120 1 54 TRP HB3 1 55 ALA H . . 3.860 3.663 3.530 3.789 . 0 0 "[ . 1 . 2]" 1
1121 1 54 TRP HE3 1 55 ALA H . . 4.410 4.262 4.064 4.410 0.000 1 0 "[ . 1 . 2]" 1
1122 1 55 ALA H 1 55 ALA MB . . 3.400 2.439 2.374 2.492 . 0 0 "[ . 1 . 2]" 1
1123 1 55 ALA HA 1 56 PRO HD2 . . 3.500 2.279 2.254 2.330 . 0 0 "[ . 1 . 2]" 1
1124 1 55 ALA HA 1 56 PRO HD3 . . 3.220 2.264 2.259 2.276 . 0 0 "[ . 1 . 2]" 1
1125 1 55 ALA HA 1 56 PRO HG3 . . 4.760 4.405 4.392 4.431 . 0 0 "[ . 1 . 2]" 1
1126 1 55 ALA MB 1 56 PRO HD2 . . 3.550 2.194 2.068 2.240 . 0 0 "[ . 1 . 2]" 1
1127 1 55 ALA MB 1 56 PRO HD3 . . 3.790 3.392 3.315 3.430 . 0 0 "[ . 1 . 2]" 1
1128 1 55 ALA MB 1 59 TYR HB2 . . 4.630 3.735 3.520 3.892 . 0 0 "[ . 1 . 2]" 1
1129 1 56 PRO HA 1 57 SER H . . 2.770 2.186 2.151 2.242 . 0 0 "[ . 1 . 2]" 1
1130 1 56 PRO HA 1 57 SER QB . . 4.600 4.256 4.068 4.383 . 0 0 "[ . 1 . 2]" 1
1131 1 56 PRO HA 1 58 HIS H . . 4.590 3.695 3.513 3.946 . 0 0 "[ . 1 . 2]" 1
1132 1 56 PRO HB2 1 58 HIS H . . 4.050 2.423 2.229 2.711 . 0 0 "[ . 1 . 2]" 1
1133 1 56 PRO HB2 1 58 HIS HE1 . . 4.450 4.101 3.845 4.223 . 0 0 "[ . 1 . 2]" 1
1134 1 56 PRO HB2 1 59 TYR H . . 4.090 3.099 2.765 3.285 . 0 0 "[ . 1 . 2]" 1
1135 1 56 PRO HB2 1 59 TYR QD . . 3.940 2.834 2.467 3.042 . 0 0 "[ . 1 . 2]" 1
1136 1 56 PRO HB2 1 59 TYR QE . . 4.000 3.903 3.756 3.985 . 0 0 "[ . 1 . 2]" 1
1137 1 56 PRO HB2 1 60 LEU H . . 5.250 5.075 4.912 5.251 0.001 8 0 "[ . 1 . 2]" 1
1138 1 56 PRO HB3 1 57 SER H . . 4.080 3.866 3.706 4.040 . 0 0 "[ . 1 . 2]" 1
1139 1 56 PRO HB3 1 58 HIS H . . 4.440 3.960 3.829 4.171 . 0 0 "[ . 1 . 2]" 1
1140 1 56 PRO HB3 1 58 HIS HE1 . . 4.320 4.179 3.801 4.319 . 0 0 "[ . 1 . 2]" 1
1141 1 56 PRO HB3 1 59 TYR H . . 4.980 4.731 4.440 4.888 . 0 0 "[ . 1 . 2]" 1
1142 1 56 PRO HB3 1 59 TYR QD . . 4.590 4.187 3.706 4.368 . 0 0 "[ . 1 . 2]" 1
1143 1 56 PRO HB3 1 59 TYR QE . . 4.630 4.569 4.356 4.629 . 0 0 "[ . 1 . 2]" 1
1144 1 56 PRO HD2 1 59 TYR H . . 5.430 4.668 4.506 4.773 . 0 0 "[ . 1 . 2]" 1
1145 1 56 PRO HD2 1 59 TYR HB2 . . 4.690 3.531 3.243 3.743 . 0 0 "[ . 1 . 2]" 1
1146 1 56 PRO HD2 1 59 TYR QD . . 4.770 4.133 4.049 4.250 . 0 0 "[ . 1 . 2]" 1
1147 1 56 PRO HD3 1 59 TYR QD . . 5.050 4.890 4.654 5.014 . 0 0 "[ . 1 . 2]" 1
1148 1 56 PRO HG2 1 59 TYR HB2 . . 4.790 2.665 2.089 2.948 . 0 0 "[ . 1 . 2]" 1
1149 1 56 PRO HG2 1 59 TYR QD . . 4.360 2.118 2.006 2.295 . 0 0 "[ . 1 . 2]" 1
1150 1 56 PRO HG2 1 59 TYR QE . . 4.000 3.365 3.170 3.685 . 0 0 "[ . 1 . 2]" 1
1151 1 56 PRO HG3 1 59 TYR H . . 4.650 4.461 4.165 4.625 . 0 0 "[ . 1 . 2]" 1
1152 1 56 PRO HG3 1 59 TYR HB2 . . 5.030 4.365 3.755 4.645 . 0 0 "[ . 1 . 2]" 1
1153 1 56 PRO HG3 1 59 TYR QD . . 4.930 3.215 2.756 3.396 . 0 0 "[ . 1 . 2]" 1
1154 1 56 PRO HG3 1 59 TYR QE . . 4.990 3.183 3.004 3.326 . 0 0 "[ . 1 . 2]" 1
1155 1 57 SER H 1 57 SER HB2 . . 3.750 3.420 2.675 3.601 . 0 0 "[ . 1 . 2]" 1
1156 1 57 SER H 1 57 SER QB . . 3.080 2.358 2.163 2.526 . 0 0 "[ . 1 . 2]" 1
1157 1 57 SER H 1 57 SER HB3 . . 3.750 2.413 2.233 2.580 . 0 0 "[ . 1 . 2]" 1
1158 1 57 SER H 1 58 HIS H . . 3.680 2.624 2.515 2.724 . 0 0 "[ . 1 . 2]" 1
1159 1 57 SER H 1 59 TYR H . . 4.790 4.453 4.331 4.609 . 0 0 "[ . 1 . 2]" 1
1160 1 57 SER HA 1 60 LEU H . . 4.820 3.116 3.019 3.363 . 0 0 "[ . 1 . 2]" 1
1161 1 57 SER HA 1 60 LEU HB2 . . 3.660 2.520 2.263 2.749 . 0 0 "[ . 1 . 2]" 1
1162 1 57 SER HA 1 60 LEU HB3 . . 4.750 4.179 3.945 4.395 . 0 0 "[ . 1 . 2]" 1
1163 1 57 SER HA 1 60 LEU MD1 . . 3.730 2.538 2.135 2.903 . 0 0 "[ . 1 . 2]" 1
1164 1 57 SER HA 1 60 LEU HG . . 4.100 3.305 2.870 3.616 . 0 0 "[ . 1 . 2]" 1
1165 1 57 SER HA 1 62 LEU QD . . 4.770 3.926 3.605 4.372 . 0 0 "[ . 1 . 2]" 1
1166 1 57 SER QB 1 60 LEU MD1 . . 4.660 3.578 3.212 3.996 . 0 0 "[ . 1 . 2]" 1
1167 1 57 SER QB 1 62 LEU QD . . 4.450 3.035 2.419 4.063 . 0 0 "[ . 1 . 2]" 1
1168 1 58 HIS H 1 58 HIS HB2 . . 4.000 2.677 2.547 2.785 . 0 0 "[ . 1 . 2]" 1
1169 1 58 HIS H 1 58 HIS QB . . 3.480 2.606 2.498 2.691 . 0 0 "[ . 1 . 2]" 1
1170 1 58 HIS H 1 58 HIS HB3 . . 4.000 3.586 3.562 3.606 . 0 0 "[ . 1 . 2]" 1
1171 1 58 HIS H 1 58 HIS HD2 . . 4.980 4.153 3.620 4.651 . 0 0 "[ . 1 . 2]" 1
1172 1 58 HIS H 1 59 TYR H . . 3.590 2.626 2.499 2.793 . 0 0 "[ . 1 . 2]" 1
1173 1 58 HIS H 1 59 TYR QD . . 5.230 3.632 3.463 3.823 . 0 0 "[ . 1 . 2]" 1
1174 1 58 HIS H 1 59 TYR QE . . 5.500 5.340 5.151 5.498 . 0 0 "[ . 1 . 2]" 1
1175 1 58 HIS HA 1 62 LEU QD . . 4.480 4.333 3.842 4.480 0.000 17 0 "[ . 1 . 2]" 1
1176 1 58 HIS QB 1 59 TYR QD . . 4.510 2.252 2.166 2.484 . 0 0 "[ . 1 . 2]" 1
1177 1 58 HIS HB2 1 59 TYR QD . . 5.380 2.270 2.182 2.504 . 0 0 "[ . 1 . 2]" 1
1178 1 58 HIS HB3 1 59 TYR QD . . 5.380 3.772 3.601 4.143 . 0 0 "[ . 1 . 2]" 1
1179 1 59 TYR H 1 59 TYR HB2 . . 3.060 2.337 2.313 2.360 . 0 0 "[ . 1 . 2]" 1
1180 1 59 TYR H 1 59 TYR HB3 . . 3.590 3.581 3.565 3.603 0.013 4 0 "[ . 1 . 2]" 1
1181 1 59 TYR H 1 59 TYR QD . . 3.570 2.034 1.906 2.123 . 0 0 "[ . 1 . 2]" 1
1182 1 59 TYR H 1 59 TYR QE . . 4.670 4.388 4.266 4.476 . 0 0 "[ . 1 . 2]" 1
1183 1 59 TYR H 1 60 LEU H . . 3.010 2.406 2.295 2.527 . 0 0 "[ . 1 . 2]" 1
1184 1 59 TYR H 1 60 LEU HA . . 5.210 5.060 4.969 5.180 . 0 0 "[ . 1 . 2]" 1
1185 1 59 TYR H 1 60 LEU HB2 . . 4.790 4.621 4.412 4.789 . 0 0 "[ . 1 . 2]" 1
1186 1 59 TYR H 1 60 LEU MD1 . . 5.500 4.905 4.615 5.187 . 0 0 "[ . 1 . 2]" 1
1187 1 59 TYR H 1 60 LEU HG . . 4.250 4.064 3.874 4.250 0.000 6 0 "[ . 1 . 2]" 1
1188 1 59 TYR HA 1 59 TYR QD . . 4.230 3.032 2.945 3.107 . 0 0 "[ . 1 . 2]" 1
1189 1 59 TYR HB2 1 60 LEU H . . 4.070 2.903 2.611 3.392 . 0 0 "[ . 1 . 2]" 1
1190 1 59 TYR HB2 1 60 LEU MD2 . . 5.340 4.127 3.825 4.397 . 0 0 "[ . 1 . 2]" 1
1191 1 59 TYR HB2 1 60 LEU HG . . 4.890 3.433 3.276 3.562 . 0 0 "[ . 1 . 2]" 1
1192 1 59 TYR HB3 1 60 LEU H . . 4.750 3.718 3.494 4.057 . 0 0 "[ . 1 . 2]" 1
1193 1 59 TYR HB3 1 60 LEU MD2 . . 4.740 4.245 3.963 4.486 . 0 0 "[ . 1 . 2]" 1
1194 1 60 LEU H 1 60 LEU HB2 . . 3.230 2.479 2.379 2.550 . 0 0 "[ . 1 . 2]" 1
1195 1 60 LEU H 1 60 LEU HB3 . . 3.800 3.609 3.582 3.678 . 0 0 "[ . 1 . 2]" 1
1196 1 60 LEU H 1 60 LEU MD1 . . 4.140 3.576 3.397 3.790 . 0 0 "[ . 1 . 2]" 1
1197 1 60 LEU H 1 60 LEU MD2 . . 4.240 3.551 3.366 3.918 . 0 0 "[ . 1 . 2]" 1
1198 1 60 LEU H 1 60 LEU HG . . 3.440 2.383 2.178 2.785 . 0 0 "[ . 1 . 2]" 1
1199 1 60 LEU H 1 61 VAL H . . 4.670 4.590 4.522 4.627 . 0 0 "[ . 1 . 2]" 1
1200 1 60 LEU H 1 62 LEU QD . . 4.660 4.447 4.130 4.619 . 0 0 "[ . 1 . 2]" 1
1201 1 60 LEU HA 1 60 LEU MD1 . . 4.430 3.909 3.872 3.952 . 0 0 "[ . 1 . 2]" 1
1202 1 60 LEU HA 1 60 LEU MD2 . . 3.300 2.148 1.997 2.441 . 0 0 "[ . 1 . 2]" 1
1203 1 60 LEU HA 1 61 VAL H . . 2.940 2.232 2.183 2.352 . 0 0 "[ . 1 . 2]" 1
1204 1 60 LEU HA 1 61 VAL QG . . 4.600 3.504 3.243 3.844 . 0 0 "[ . 1 . 2]" 1
1205 1 60 LEU HB2 1 60 LEU MD1 . . 3.420 2.172 2.033 2.307 . 0 0 "[ . 1 . 2]" 1
1206 1 60 LEU HB2 1 61 VAL H . . 4.160 3.946 3.704 4.142 . 0 0 "[ . 1 . 2]" 1
1207 1 60 LEU HB2 1 62 LEU QD . . 3.880 3.298 2.908 3.736 . 0 0 "[ . 1 . 2]" 1
1208 1 60 LEU HB3 1 60 LEU MD1 . . 3.400 2.468 2.383 2.613 . 0 0 "[ . 1 . 2]" 1
1209 1 60 LEU HB3 1 60 LEU MD2 . . 3.480 2.287 2.105 2.365 . 0 0 "[ . 1 . 2]" 1
1210 1 60 LEU HB3 1 61 VAL H . . 3.690 2.897 2.533 3.078 . 0 0 "[ . 1 . 2]" 1
1211 1 60 LEU HB3 1 61 VAL QG . . 4.690 4.393 3.857 4.695 0.005 19 0 "[ . 1 . 2]" 1
1212 1 60 LEU HB3 1 62 LEU QD . . 4.290 3.758 3.202 4.201 . 0 0 "[ . 1 . 2]" 1
1213 1 60 LEU MD1 1 61 VAL H . . 4.960 4.869 4.548 4.958 . 0 0 "[ . 1 . 2]" 1
1214 1 60 LEU MD2 1 61 VAL H . . 4.160 3.464 3.272 3.694 . 0 0 "[ . 1 . 2]" 1
1215 1 60 LEU HG 1 61 VAL H . . 5.160 4.986 4.890 5.095 . 0 0 "[ . 1 . 2]" 1
1216 1 61 VAL H 1 61 VAL HB . . 3.800 2.842 2.435 3.702 . 0 0 "[ . 1 . 2]" 1
1217 1 61 VAL H 1 61 VAL MG1 . . 4.020 3.233 2.005 3.821 . 0 0 "[ . 1 . 2]" 1
1218 1 61 VAL H 1 61 VAL QG . . 3.160 2.259 1.855 2.712 . 0 0 "[ . 1 . 2]" 1
1219 1 61 VAL H 1 61 VAL MG2 . . 4.020 2.566 1.876 3.835 . 0 0 "[ . 1 . 2]" 1
1220 1 61 VAL H 1 62 LEU H . . 4.640 4.412 4.115 4.520 . 0 0 "[ . 1 . 2]" 1
1221 1 61 VAL HA 1 61 VAL MG1 . . 3.450 2.488 2.135 3.189 . 0 0 "[ . 1 . 2]" 1
1222 1 61 VAL HA 1 61 VAL QG . . 2.990 2.162 2.052 2.324 . 0 0 "[ . 1 . 2]" 1
1223 1 61 VAL HA 1 61 VAL MG2 . . 3.450 2.557 2.189 3.199 . 0 0 "[ . 1 . 2]" 1
1224 1 61 VAL HA 1 62 LEU H . . 2.660 2.156 2.140 2.225 . 0 0 "[ . 1 . 2]" 1
1225 1 61 VAL HA 1 62 LEU QB . . 5.110 4.500 4.302 4.653 . 0 0 "[ . 1 . 2]" 1
1226 1 61 VAL HA 1 62 LEU QD . . 3.900 3.000 2.569 3.837 . 0 0 "[ . 1 . 2]" 1
1227 1 61 VAL HA 1 62 LEU HG . . 5.500 4.737 3.315 5.513 0.013 18 0 "[ . 1 . 2]" 1
1228 1 61 VAL HB 1 62 LEU H . . 4.510 4.015 3.049 4.482 . 0 0 "[ . 1 . 2]" 1
1229 1 61 VAL HB 1 62 LEU QD . . 5.440 4.840 4.379 5.324 . 0 0 "[ . 1 . 2]" 1
1230 1 61 VAL QG 1 62 LEU H . . 3.610 2.848 2.234 3.570 . 0 0 "[ . 1 . 2]" 1
1231 1 61 VAL QG 1 62 LEU QB . . 5.020 4.296 3.778 4.893 . 0 0 "[ . 1 . 2]" 1
1232 1 61 VAL QG 1 62 LEU HG . . 5.440 5.012 4.197 5.446 0.006 13 0 "[ . 1 . 2]" 1
1233 1 61 VAL QG 1 63 ASP H . . 4.990 4.275 3.290 4.950 . 0 0 "[ . 1 . 2]" 1
1234 1 61 VAL MG1 1 62 LEU H . . 4.180 3.210 2.246 4.053 . 0 0 "[ . 1 . 2]" 1
1235 1 61 VAL MG2 1 62 LEU H . . 4.180 3.808 2.394 4.197 0.017 19 0 "[ . 1 . 2]" 1
1236 1 62 LEU H 1 62 LEU QB . . 3.250 2.722 2.337 3.245 . 0 0 "[ . 1 . 2]" 1
1237 1 62 LEU H 1 62 LEU QD . . 4.040 2.087 1.724 3.032 . 0 0 "[ . 1 . 2]" 1
1238 1 62 LEU H 1 62 LEU HG . . 3.700 3.108 1.972 3.792 0.092 18 0 "[ . 1 . 2]" 1
1239 1 62 LEU HA 1 62 LEU MD1 . . 4.250 3.340 1.995 4.110 . 0 0 "[ . 1 . 2]" 1
1240 1 62 LEU HA 1 62 LEU QD . . 3.690 2.832 1.985 3.370 . 0 0 "[ . 1 . 2]" 1
1241 1 62 LEU HA 1 62 LEU MD2 . . 4.250 3.400 2.513 3.689 . 0 0 "[ . 1 . 2]" 1
1242 1 62 LEU HA 1 62 LEU HG . . 4.010 3.324 2.387 3.847 . 0 0 "[ . 1 . 2]" 1
1243 1 62 LEU HA 1 63 ASP H . . 3.000 2.260 2.139 2.630 . 0 0 "[ . 1 . 2]" 1
1244 1 62 LEU QB 1 62 LEU QD . . 2.820 1.868 1.783 2.021 . 0 0 "[ . 1 . 2]" 1
1245 1 62 LEU QB 1 63 ASP H . . 3.590 3.066 2.158 3.595 0.005 7 0 "[ . 1 . 2]" 1
1246 1 62 LEU QB 1 64 GLU QB . . 4.350 3.729 2.866 4.356 0.006 19 0 "[ . 1 . 2]" 1
1247 1 62 LEU QD 1 63 ASP H . . 4.760 4.076 3.512 4.530 . 0 0 "[ . 1 . 2]" 1
1248 1 62 LEU QD 1 64 GLU QB . . 4.530 3.706 2.026 4.532 0.002 18 0 "[ . 1 . 2]" 1
1249 1 62 LEU QD 1 64 GLU QG . . 5.440 4.540 3.006 5.401 . 0 0 "[ . 1 . 2]" 1
1250 1 62 LEU MD1 1 63 ASP H . . 5.500 4.554 3.637 5.236 . 0 0 "[ . 1 . 2]" 1
1251 1 62 LEU MD2 1 63 ASP H . . 5.500 4.730 3.942 5.200 . 0 0 "[ . 1 . 2]" 1
1252 1 63 ASP H 1 63 ASP HB2 . . 3.740 2.845 2.223 3.672 . 0 0 "[ . 1 . 2]" 1
1253 1 63 ASP H 1 63 ASP QB . . 3.270 2.612 2.200 3.304 0.034 5 0 "[ . 1 . 2]" 1
1254 1 63 ASP H 1 63 ASP HB3 . . 3.740 3.392 2.430 3.749 0.009 5 0 "[ . 1 . 2]" 1
1255 1 63 ASP H 1 64 GLU QB . . 4.950 4.715 4.329 4.956 0.006 10 0 "[ . 1 . 2]" 1
1256 1 63 ASP HA 1 64 GLU HA . . 4.980 4.563 4.385 5.050 0.070 19 0 "[ . 1 . 2]" 1
1257 1 63 ASP QB 1 64 GLU H . . 3.840 3.736 2.245 3.903 0.063 19 0 "[ . 1 . 2]" 1
1258 1 64 GLU H 1 64 GLU HB2 . . 4.160 2.901 2.445 3.820 . 0 0 "[ . 1 . 2]" 1
1259 1 64 GLU H 1 64 GLU QB . . 3.320 2.451 2.215 2.885 . 0 0 "[ . 1 . 2]" 1
1260 1 64 GLU H 1 64 GLU HB3 . . 4.160 2.839 2.238 3.725 . 0 0 "[ . 1 . 2]" 1
1261 1 64 GLU H 1 64 GLU QG . . 4.120 3.645 1.920 4.155 0.035 7 0 "[ . 1 . 2]" 1
1262 1 64 GLU HA 1 64 GLU QG . . 3.770 2.695 2.190 3.435 . 0 0 "[ . 1 . 2]" 1
1263 1 64 GLU QG 1 65 ASN H . . 4.880 3.477 1.889 4.739 . 0 0 "[ . 1 . 2]" 1
1264 1 65 ASN H 1 65 ASN QB . . 3.390 2.644 2.167 3.247 . 0 0 "[ . 1 . 2]" 1
1265 1 65 ASN H 1 66 GLU H . . 4.530 3.662 2.511 4.529 . 0 0 "[ . 1 . 2]" 1
1266 1 65 ASN HA 1 66 GLU H . . 3.570 2.631 2.140 3.569 . 0 0 "[ . 1 . 2]" 1
1267 1 65 ASN QB 1 66 GLU H . . 4.180 3.367 2.021 3.936 . 0 0 "[ . 1 . 2]" 1
1268 1 66 GLU H 1 66 GLU QB . . 3.320 2.717 2.161 3.280 . 0 0 "[ . 1 . 2]" 1
1269 1 66 GLU H 1 66 GLU QG . . 4.270 3.305 2.056 4.267 . 0 0 "[ . 1 . 2]" 1
1270 1 66 GLU HA 1 67 GLN H . . 3.100 2.264 2.140 2.554 . 0 0 "[ . 1 . 2]" 1
1271 1 66 GLU QB 1 67 GLN H . . 4.110 3.267 2.126 4.007 . 0 0 "[ . 1 . 2]" 1
1272 1 67 GLN H 1 67 GLN QB . . 3.260 2.503 2.153 2.924 . 0 0 "[ . 1 . 2]" 1
1273 1 67 GLN H 1 67 GLN QE . . 4.670 3.594 2.180 4.656 . 0 0 "[ . 1 . 2]" 1
1274 1 67 GLN H 1 67 GLN QG . . 3.940 3.068 2.144 3.952 0.012 12 0 "[ . 1 . 2]" 1
1275 1 67 GLN HA 1 68 PRO HD2 . . 3.250 2.230 1.967 2.427 . 0 0 "[ . 1 . 2]" 1
1276 1 67 GLN HA 1 68 PRO HD3 . . 3.250 2.336 2.252 2.760 . 0 0 "[ . 1 . 2]" 1
1277 1 67 GLN QB 1 68 PRO QD . . 3.640 2.573 1.982 3.677 0.037 18 0 "[ . 1 . 2]" 1
1278 1 68 PRO HA 1 69 ASP H . . 3.150 2.310 2.151 2.640 . 0 0 "[ . 1 . 2]" 1
1279 1 68 PRO HB2 1 69 ASP H . . 4.630 3.327 2.069 4.246 . 0 0 "[ . 1 . 2]" 1
1280 1 68 PRO HB3 1 69 ASP H . . 4.630 3.907 3.207 4.543 . 0 0 "[ . 1 . 2]" 1
1281 1 69 ASP H 1 69 ASP HB2 . . 3.890 2.939 2.228 3.750 . 0 0 "[ . 1 . 2]" 1
1282 1 69 ASP H 1 69 ASP HB3 . . 3.890 3.240 2.445 3.891 0.001 19 0 "[ . 1 . 2]" 1
1283 1 69 ASP QB 1 70 PRO QD . . 4.460 3.050 1.989 3.811 . 0 0 "[ . 1 . 2]" 1
1284 1 70 PRO QB 1 71 SER H . . 3.960 3.188 1.926 3.808 . 0 0 "[ . 1 . 2]" 1
1285 1 70 PRO QG 1 71 SER H . . 5.490 3.911 1.952 4.744 . 0 0 "[ . 1 . 2]" 1
1286 1 71 SER H 1 71 SER QB . . 3.830 2.573 2.172 3.354 . 0 0 "[ . 1 . 2]" 1
1287 1 71 SER QB 1 72 GLY H . . 4.660 3.008 2.313 3.857 . 0 0 "[ . 1 . 2]" 1
1288 1 73 LYS H 1 74 GLU H . . 4.870 4.165 2.687 4.648 . 0 0 "[ . 1 . 2]" 1
1289 1 76 GLY HA2 1 77 PRO QD . . 3.830 2.305 1.956 3.372 . 0 0 "[ . 1 . 2]" 1
1290 1 76 GLY HA3 1 77 PRO QD . . 3.830 2.566 1.958 3.451 . 0 0 "[ . 1 . 2]" 1
1291 1 77 PRO QB 1 78 SER H . . 3.980 3.073 2.117 3.878 . 0 0 "[ . 1 . 2]" 1
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