NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416526 |
2djt   |
10259 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djt
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 1470
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 20.774
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0061
_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 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.013 0.007 20 0 "[ . 1 . 2]"
1 13 PHE 0.019 0.007 20 0 "[ . 1 . 2]"
1 14 SER 0.004 0.004 19 0 "[ . 1 . 2]"
1 15 VAL 0.006 0.003 13 0 "[ . 1 . 2]"
1 16 GLU 0.001 0.000 17 0 "[ . 1 . 2]"
1 17 LEU 0.002 0.001 4 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.123 0.056 19 0 "[ . 1 . 2]"
1 20 GLY 0.020 0.019 16 0 "[ . 1 . 2]"
1 21 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.001 0.001 16 0 "[ . 1 . 2]"
1 25 GLY 0.002 0.002 10 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.009 0.005 4 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.034 0.014 19 0 "[ . 1 . 2]"
1 32 ARG 0.031 0.014 19 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.179 0.083 7 0 "[ . 1 . 2]"
1 35 ALA 0.001 0.001 1 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 0.017 0.017 4 0 "[ . 1 . 2]"
1 39 PRO 0.024 0.017 4 0 "[ . 1 . 2]"
1 40 LEU 0.009 0.003 16 0 "[ . 1 . 2]"
1 41 ALA 0.010 0.005 4 0 "[ . 1 . 2]"
1 42 VAL 0.003 0.002 5 0 "[ . 1 . 2]"
1 43 ARG 0.009 0.005 4 0 "[ . 1 . 2]"
1 44 GLY 0.002 0.001 4 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.055 0.041 18 0 "[ . 1 . 2]"
1 47 LYS 0.305 0.047 10 0 "[ . 1 . 2]"
1 48 ASP 0.130 0.047 10 0 "[ . 1 . 2]"
1 49 GLY 0.069 0.021 18 0 "[ . 1 . 2]"
1 50 PRO 0.002 0.002 10 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.004 0.004 13 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.007 0.003 13 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 7 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.008 0.006 2 0 "[ . 1 . 2]"
1 62 LEU 0.022 0.004 4 0 "[ . 1 . 2]"
1 63 VAL 0.014 0.009 2 0 "[ . 1 . 2]"
1 64 LEU 0.005 0.001 5 0 "[ . 1 . 2]"
1 65 HIS 0.001 0.001 4 0 "[ . 1 . 2]"
1 66 ILE 0.037 0.007 2 0 "[ . 1 . 2]"
1 67 ASN 0.002 0.001 14 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.001 0.001 13 0 "[ . 1 . 2]"
1 72 GLN 0.000 0.000 17 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.007 0.003 2 0 "[ . 1 . 2]"
1 75 THR 0.045 0.032 2 0 "[ . 1 . 2]"
1 76 HIS 0.039 0.032 2 0 "[ . 1 . 2]"
1 77 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
1 78 GLN 0.002 0.001 15 0 "[ . 1 . 2]"
1 79 ALA 0.001 0.001 8 0 "[ . 1 . 2]"
1 80 VAL 0.010 0.007 8 0 "[ . 1 . 2]"
1 81 GLU 0.050 0.032 10 0 "[ . 1 . 2]"
1 82 ARG 0.006 0.003 13 0 "[ . 1 . 2]"
1 83 ILE 0.038 0.007 8 0 "[ . 1 . 2]"
1 84 ARG 0.003 0.002 13 0 "[ . 1 . 2]"
1 85 ALA 0.010 0.003 15 0 "[ . 1 . 2]"
1 86 GLY 0.002 0.001 14 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PRO 0.003 0.003 6 0 "[ . 1 . 2]"
1 89 GLN 0.000 0.000 2 0 "[ . 1 . 2]"
1 90 LEU 0.001 0.001 4 0 "[ . 1 . 2]"
1 91 HIS 0.000 0.000 17 0 "[ . 1 . 2]"
1 92 LEU 0.028 0.009 2 0 "[ . 1 . 2]"
1 93 VAL 0.017 0.007 2 0 "[ . 1 . 2]"
1 94 ILE 0.006 0.006 2 0 "[ . 1 . 2]"
1 95 ARG 0.031 0.027 17 0 "[ . 1 . 2]"
1 96 ARG 0.047 0.025 16 0 "[ . 1 . 2]"
1 97 PRO 0.021 0.004 4 0 "[ . 1 . 2]"
1 98 LEU 0.027 0.027 9 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 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 9 ALA H 1 9 ALA MB . . 3.380 2.386 2.048 2.897 . 0 0 "[ . 1 . 2]" 1
2 1 11 GLY QA 1 12 HIS H . . 3.380 2.410 2.113 2.793 . 0 0 "[ . 1 . 2]" 1
3 1 12 HIS H 1 12 HIS HB2 . . 3.780 3.111 2.678 3.601 . 0 0 "[ . 1 . 2]" 1
4 1 12 HIS H 1 12 HIS QB . . 3.280 2.814 2.616 3.025 . 0 0 "[ . 1 . 2]" 1
5 1 12 HIS H 1 12 HIS HB3 . . 3.780 3.422 2.816 3.737 . 0 0 "[ . 1 . 2]" 1
6 1 12 HIS H 1 12 HIS HD2 . . 4.490 3.228 2.322 4.121 . 0 0 "[ . 1 . 2]" 1
7 1 12 HIS H 1 13 PHE H . . 4.590 4.537 4.396 4.597 0.007 20 0 "[ . 1 . 2]" 1
8 1 12 HIS HA 1 12 HIS HD2 . . 4.420 3.519 2.647 4.396 . 0 0 "[ . 1 . 2]" 1
9 1 12 HIS HA 1 13 PHE H . . 2.940 2.218 2.139 2.481 . 0 0 "[ . 1 . 2]" 1
10 1 12 HIS HA 1 13 PHE QD . . 4.240 3.572 3.164 3.856 . 0 0 "[ . 1 . 2]" 1
11 1 12 HIS HA 1 64 LEU QD . . 5.440 4.102 3.611 4.614 . 0 0 "[ . 1 . 2]" 1
12 1 12 HIS HA 1 94 ILE H . . 5.410 4.985 4.543 5.316 . 0 0 "[ . 1 . 2]" 1
13 1 12 HIS HA 1 94 ILE MG . . 5.500 5.443 5.274 5.500 . 2 0 "[ . 1 . 2]" 1
14 1 12 HIS HA 1 95 ARG QB . . 4.340 2.497 1.994 3.655 . 0 0 "[ . 1 . 2]" 1
15 1 12 HIS HA 1 96 ARG H . . 5.030 4.757 4.404 5.029 . 0 0 "[ . 1 . 2]" 1
16 1 12 HIS QB 1 13 PHE H . . 3.390 2.969 2.240 3.341 . 0 0 "[ . 1 . 2]" 1
17 1 12 HIS QB 1 64 LEU QD . . 3.900 3.135 1.905 3.899 . 0 0 "[ . 1 . 2]" 1
18 1 12 HIS QB 1 93 VAL MG1 . . 3.280 2.217 1.810 2.575 . 0 0 "[ . 1 . 2]" 1
19 1 12 HIS QB 1 94 ILE H . . 5.340 4.506 3.926 4.993 . 0 0 "[ . 1 . 2]" 1
20 1 12 HIS HB2 1 13 PHE H . . 4.040 3.519 2.267 4.041 0.001 17 0 "[ . 1 . 2]" 1
21 1 12 HIS HB2 1 93 VAL MG1 . . 3.870 2.806 1.825 3.624 . 0 0 "[ . 1 . 2]" 1
22 1 12 HIS HB3 1 13 PHE H . . 4.040 3.390 2.744 4.001 . 0 0 "[ . 1 . 2]" 1
23 1 12 HIS HB3 1 93 VAL MG1 . . 3.870 2.653 1.986 3.241 . 0 0 "[ . 1 . 2]" 1
24 1 12 HIS HD2 1 64 LEU QD . . 4.360 3.094 1.881 4.170 . 0 0 "[ . 1 . 2]" 1
25 1 12 HIS HD2 1 93 VAL MG1 . . 4.870 4.592 3.911 4.870 0.000 19 0 "[ . 1 . 2]" 1
26 1 12 HIS HD2 1 95 ARG QB . . 4.380 3.027 1.983 4.333 . 0 0 "[ . 1 . 2]" 1
27 1 12 HIS HD2 1 95 ARG QD . . 4.530 2.543 1.969 3.743 . 0 0 "[ . 1 . 2]" 1
28 1 12 HIS HD2 1 95 ARG HG3 . . 5.310 3.939 2.273 5.306 . 0 0 "[ . 1 . 2]" 1
29 1 13 PHE H 1 13 PHE QD . . 3.740 2.768 1.939 3.113 . 0 0 "[ . 1 . 2]" 1
30 1 13 PHE H 1 93 VAL HA . . 5.140 4.442 4.108 4.882 . 0 0 "[ . 1 . 2]" 1
31 1 13 PHE H 1 93 VAL MG1 . . 4.100 3.281 2.930 3.533 . 0 0 "[ . 1 . 2]" 1
32 1 13 PHE H 1 94 ILE HB . . 5.000 4.557 4.363 4.880 . 0 0 "[ . 1 . 2]" 1
33 1 13 PHE HA 1 13 PHE QD . . 4.290 3.722 3.673 3.729 . 0 0 "[ . 1 . 2]" 1
34 1 13 PHE HA 1 14 SER H . . 2.940 2.426 2.315 2.562 . 0 0 "[ . 1 . 2]" 1
35 1 13 PHE HA 1 14 SER QB . . 4.610 4.375 4.128 4.614 0.004 19 0 "[ . 1 . 2]" 1
36 1 13 PHE QB 1 14 SER H . . 3.110 2.369 2.089 2.601 . 0 0 "[ . 1 . 2]" 1
37 1 13 PHE HB2 1 14 SER H . . 3.810 2.397 2.104 2.649 . 0 0 "[ . 1 . 2]" 1
38 1 13 PHE HB3 1 14 SER H . . 3.810 3.729 3.520 3.810 . 19 0 "[ . 1 . 2]" 1
39 1 13 PHE QD 1 14 SER H . . 3.990 3.273 3.000 3.890 . 0 0 "[ . 1 . 2]" 1
40 1 13 PHE QD 1 14 SER HA . . 4.640 3.800 3.457 4.485 . 0 0 "[ . 1 . 2]" 1
41 1 13 PHE QD 1 15 VAL HB . . 5.500 5.455 5.395 5.502 0.002 7 0 "[ . 1 . 2]" 1
42 1 13 PHE QD 1 15 VAL MG2 . . 3.390 2.760 2.514 2.923 . 0 0 "[ . 1 . 2]" 1
43 1 13 PHE QD 1 56 ARG QB . . 5.340 4.586 3.776 5.334 . 0 0 "[ . 1 . 2]" 1
44 1 13 PHE QD 1 96 ARG QB . . 5.340 4.469 4.087 4.877 . 0 0 "[ . 1 . 2]" 1
45 1 13 PHE QE 1 15 VAL MG2 . . 3.610 2.500 2.178 2.853 . 0 0 "[ . 1 . 2]" 1
46 1 13 PHE QE 1 56 ARG QB . . 4.240 3.575 2.407 4.186 . 0 0 "[ . 1 . 2]" 1
47 1 13 PHE QE 1 57 LEU MD2 . . 4.080 3.398 1.865 3.953 . 0 0 "[ . 1 . 2]" 1
48 1 13 PHE QE 1 94 ILE HB . . 4.510 2.438 2.144 2.802 . 0 0 "[ . 1 . 2]" 1
49 1 13 PHE QE 1 94 ILE MD . . 5.270 4.703 4.573 4.912 . 0 0 "[ . 1 . 2]" 1
50 1 13 PHE QE 1 94 ILE HG13 . . 4.800 3.704 3.425 4.163 . 0 0 "[ . 1 . 2]" 1
51 1 13 PHE QE 1 94 ILE MG . . 3.800 2.959 2.623 3.186 . 0 0 "[ . 1 . 2]" 1
52 1 13 PHE QE 1 95 ARG QB . . 4.860 4.787 4.575 4.861 0.001 9 0 "[ . 1 . 2]" 1
53 1 13 PHE QE 1 96 ARG H . . 4.370 2.123 1.898 2.754 . 0 0 "[ . 1 . 2]" 1
54 1 13 PHE QE 1 96 ARG QB . . 3.940 2.805 2.367 3.256 . 0 0 "[ . 1 . 2]" 1
55 1 13 PHE HZ 1 57 LEU MD2 . . 5.000 4.232 2.310 4.981 . 0 0 "[ . 1 . 2]" 1
56 1 13 PHE HZ 1 94 ILE MG . . 3.950 2.430 1.879 2.852 . 0 0 "[ . 1 . 2]" 1
57 1 14 SER H 1 14 SER QB . . 3.300 2.793 2.600 3.016 . 0 0 "[ . 1 . 2]" 1
58 1 14 SER H 1 15 VAL MG2 . . 4.680 4.594 4.259 4.677 . 0 0 "[ . 1 . 2]" 1
59 1 14 SER H 1 93 VAL HA . . 4.910 4.768 4.538 4.909 . 0 0 "[ . 1 . 2]" 1
60 1 14 SER HA 1 15 VAL H . . 2.870 2.358 2.226 2.449 . 0 0 "[ . 1 . 2]" 1
61 1 14 SER HA 1 15 VAL MG2 . . 4.500 3.393 3.151 3.620 . 0 0 "[ . 1 . 2]" 1
62 1 14 SER HA 1 93 VAL HA . . 3.370 2.398 2.189 2.546 . 0 0 "[ . 1 . 2]" 1
63 1 14 SER HA 1 93 VAL MG1 . . 4.500 3.610 3.168 3.917 . 0 0 "[ . 1 . 2]" 1
64 1 14 SER HA 1 93 VAL MG2 . . 4.050 3.429 3.135 3.613 . 0 0 "[ . 1 . 2]" 1
65 1 14 SER HA 1 94 ILE H . . 3.990 3.363 2.987 3.694 . 0 0 "[ . 1 . 2]" 1
66 1 14 SER QB 1 15 VAL H . . 3.460 2.534 2.340 2.855 . 0 0 "[ . 1 . 2]" 1
67 1 14 SER QB 1 15 VAL HA . . 4.780 4.309 4.087 4.578 . 0 0 "[ . 1 . 2]" 1
68 1 14 SER QB 1 91 HIS HD2 . . 4.780 3.209 2.477 3.425 . 0 0 "[ . 1 . 2]" 1
69 1 14 SER QB 1 91 HIS HE1 . . 4.280 2.787 2.296 3.317 . 0 0 "[ . 1 . 2]" 1
70 1 14 SER QB 1 93 VAL HA . . 4.130 3.883 3.598 3.996 . 0 0 "[ . 1 . 2]" 1
71 1 14 SER QB 1 93 VAL MG2 . . 3.630 3.475 3.270 3.617 . 0 0 "[ . 1 . 2]" 1
72 1 15 VAL H 1 15 VAL HB . . 3.630 2.668 2.569 2.874 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL H 1 15 VAL MG2 . . 3.610 2.771 2.557 2.967 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL H 1 16 GLU H . . 4.680 4.295 4.182 4.440 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL H 1 91 HIS HA . . 4.730 3.470 3.330 3.766 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL H 1 91 HIS HD2 . . 4.730 4.404 3.975 4.711 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL H 1 92 LEU H . . 3.690 2.267 2.092 2.511 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL H 1 92 LEU HB2 . . 4.260 3.841 3.606 4.235 . 0 0 "[ . 1 . 2]" 1
79 1 15 VAL H 1 92 LEU HB3 . . 5.500 5.124 4.869 5.433 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL HA 1 15 VAL MG1 . . 3.360 2.358 2.181 2.461 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL HA 1 15 VAL MG2 . . 3.610 2.397 2.292 2.524 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL HA 1 16 GLU H . . 2.770 2.148 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL HA 1 16 GLU QB . . 4.780 4.347 3.978 4.691 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL HB 1 16 GLU H . . 4.560 4.225 3.973 4.324 . 0 0 "[ . 1 . 2]" 1
85 1 15 VAL HB 1 92 LEU H . . 4.540 2.593 2.225 2.943 . 0 0 "[ . 1 . 2]" 1
86 1 15 VAL HB 1 92 LEU HB3 . . 4.490 4.226 3.964 4.473 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL HB 1 92 LEU MD1 . . 3.850 3.394 2.622 3.848 . 0 0 "[ . 1 . 2]" 1
88 1 15 VAL HB 1 92 LEU MD2 . . 4.720 4.697 4.589 4.721 0.001 20 0 "[ . 1 . 2]" 1
89 1 15 VAL MG1 1 16 GLU H . . 3.420 2.630 2.266 2.922 . 0 0 "[ . 1 . 2]" 1
90 1 15 VAL MG1 1 56 ARG HB2 . . 3.980 3.048 2.115 3.774 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL MG1 1 56 ARG HB3 . . 3.980 3.385 2.517 3.930 . 0 0 "[ . 1 . 2]" 1
92 1 15 VAL MG1 1 56 ARG QD . . 3.510 3.220 2.566 3.513 0.003 13 0 "[ . 1 . 2]" 1
93 1 15 VAL MG1 1 92 LEU H . . 4.580 3.975 3.704 4.329 . 0 0 "[ . 1 . 2]" 1
94 1 15 VAL MG2 1 56 ARG QB . . 4.240 2.859 2.133 3.584 . 0 0 "[ . 1 . 2]" 1
95 1 15 VAL MG2 1 92 LEU H . . 5.050 3.726 3.473 4.082 . 0 0 "[ . 1 . 2]" 1
96 1 15 VAL MG2 1 92 LEU HB2 . . 3.890 2.767 2.434 3.162 . 0 0 "[ . 1 . 2]" 1
97 1 16 GLU H 1 16 GLU HB2 . . 3.760 2.718 2.496 3.591 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLU H 1 16 GLU QB . . 3.250 2.566 2.431 3.100 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLU H 1 16 GLU HB3 . . 3.760 3.423 2.617 3.758 . 0 0 "[ . 1 . 2]" 1
100 1 16 GLU H 1 16 GLU QG . . 4.330 3.070 1.906 4.188 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLU H 1 17 LEU H . . 4.760 4.360 4.183 4.477 . 0 0 "[ . 1 . 2]" 1
102 1 16 GLU HA 1 16 GLU QG . . 3.470 2.527 2.220 3.263 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLU HA 1 17 LEU H . . 2.870 2.155 2.139 2.238 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLU HA 1 17 LEU MD1 . . 5.260 4.996 4.464 5.260 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLU QB 1 91 HIS HA . . 5.340 5.036 3.678 5.327 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLU QB 1 91 HIS HD2 . . 4.720 4.236 3.284 4.692 . 0 0 "[ . 1 . 2]" 1
107 1 16 GLU HB2 1 17 LEU H . . 4.420 4.183 2.957 4.417 . 0 0 "[ . 1 . 2]" 1
108 1 16 GLU HB3 1 17 LEU H . . 4.420 3.608 3.165 4.307 . 0 0 "[ . 1 . 2]" 1
109 1 16 GLU QG 1 17 LEU H . . 4.670 3.912 2.629 4.669 . 0 0 "[ . 1 . 2]" 1
110 1 16 GLU QG 1 17 LEU MD2 . . 5.500 5.327 4.855 5.500 0.000 19 0 "[ . 1 . 2]" 1
111 1 16 GLU QG 1 91 HIS HA . . 5.500 4.403 3.602 5.201 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLU QG 1 91 HIS QB . . 5.400 4.833 4.057 5.400 0.000 17 0 "[ . 1 . 2]" 1
113 1 16 GLU QG 1 91 HIS HD2 . . 4.240 3.198 2.256 4.226 . 0 0 "[ . 1 . 2]" 1
114 1 17 LEU H 1 17 LEU HB2 . . 3.660 2.806 2.634 2.980 . 0 0 "[ . 1 . 2]" 1
115 1 17 LEU H 1 17 LEU MD2 . . 4.250 3.969 3.597 4.232 . 0 0 "[ . 1 . 2]" 1
116 1 17 LEU H 1 17 LEU HG . . 3.600 3.144 2.836 3.423 . 0 0 "[ . 1 . 2]" 1
117 1 17 LEU H 1 18 VAL H . . 4.490 4.410 4.334 4.474 . 0 0 "[ . 1 . 2]" 1
118 1 17 LEU H 1 18 VAL QG . . 4.800 4.433 4.072 4.682 . 0 0 "[ . 1 . 2]" 1
119 1 17 LEU H 1 90 LEU H . . 3.770 2.759 2.592 3.022 . 0 0 "[ . 1 . 2]" 1
120 1 17 LEU H 1 90 LEU QB . . 4.640 2.914 2.525 3.224 . 0 0 "[ . 1 . 2]" 1
121 1 17 LEU H 1 90 LEU MD2 . . 4.170 2.515 2.096 2.877 . 0 0 "[ . 1 . 2]" 1
122 1 17 LEU HA 1 17 LEU MD1 . . 4.500 3.911 3.832 3.970 . 0 0 "[ . 1 . 2]" 1
123 1 17 LEU HA 1 17 LEU MD2 . . 3.080 2.186 1.992 2.473 . 0 0 "[ . 1 . 2]" 1
124 1 17 LEU HA 1 18 VAL H . . 2.890 2.365 2.235 2.495 . 0 0 "[ . 1 . 2]" 1
125 1 17 LEU HA 1 18 VAL QG . . 4.110 3.383 3.193 3.559 . 0 0 "[ . 1 . 2]" 1
126 1 17 LEU HB2 1 17 LEU MD2 . . 3.620 3.176 3.147 3.190 . 0 0 "[ . 1 . 2]" 1
127 1 17 LEU HB2 1 18 VAL H . . 4.160 3.637 3.328 3.939 . 0 0 "[ . 1 . 2]" 1
128 1 17 LEU HB2 1 24 PHE QD . . 4.280 2.766 2.122 3.154 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU HB2 1 24 PHE QE . . 4.660 2.503 2.129 2.831 . 0 0 "[ . 1 . 2]" 1
130 1 17 LEU HB2 1 90 LEU H . . 4.320 3.815 3.509 4.066 . 0 0 "[ . 1 . 2]" 1
131 1 17 LEU HB2 1 90 LEU HB2 . . 4.490 3.844 3.539 4.202 . 0 0 "[ . 1 . 2]" 1
132 1 17 LEU HB2 1 90 LEU QB . . 3.810 2.349 1.996 2.615 . 0 0 "[ . 1 . 2]" 1
133 1 17 LEU HB2 1 90 LEU HB3 . . 4.490 2.371 2.007 2.656 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU HB2 1 90 LEU MD1 . . 4.240 3.190 2.839 3.615 . 0 0 "[ . 1 . 2]" 1
135 1 17 LEU HB2 1 90 LEU MD2 . . 4.160 2.357 1.948 3.080 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU HB3 1 17 LEU MD2 . . 3.200 2.274 2.105 2.393 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU HB3 1 18 VAL H . . 3.670 2.529 2.217 2.870 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU HB3 1 24 PHE QD . . 4.390 2.672 2.312 3.001 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU HB3 1 24 PHE QE . . 4.670 2.957 2.614 3.160 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU HB3 1 24 PHE HZ . . 5.500 5.349 5.027 5.485 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU HB3 1 50 PRO HB3 . . 4.500 4.011 3.271 4.441 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU HB3 1 90 LEU H . . 5.500 5.106 4.801 5.394 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU HB3 1 90 LEU QB . . 4.260 3.913 3.561 4.231 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU MD1 1 24 PHE HB2 . . 5.170 4.490 3.899 4.786 . 0 0 "[ . 1 . 2]" 1
145 1 17 LEU MD1 1 24 PHE HB3 . . 4.030 3.214 2.709 3.471 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU MD1 1 24 PHE QD . . 4.300 2.803 2.322 3.186 . 0 0 "[ . 1 . 2]" 1
147 1 17 LEU MD1 1 50 PRO HB2 . . 4.450 3.279 2.744 3.678 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU MD1 1 50 PRO HB3 . . 5.290 4.793 4.292 5.127 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU MD1 1 51 ALA H . . 3.990 3.421 2.925 3.716 . 0 0 "[ . 1 . 2]" 1
150 1 17 LEU MD1 1 51 ALA HA . . 3.350 2.078 1.926 2.293 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU MD1 1 54 CYS QB . . 4.740 3.770 3.353 4.147 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU MD2 1 18 VAL H . . 3.690 3.401 2.947 3.630 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU MD2 1 24 PHE HB3 . . 5.500 5.298 4.635 5.501 0.001 16 0 "[ . 1 . 2]" 1
154 1 17 LEU MD2 1 24 PHE QD . . 4.500 4.216 3.758 4.466 . 0 0 "[ . 1 . 2]" 1
155 1 17 LEU MD2 1 50 PRO HA . . 4.530 4.003 3.668 4.356 . 0 0 "[ . 1 . 2]" 1
156 1 17 LEU MD2 1 50 PRO HB2 . . 3.890 2.813 2.182 3.076 . 0 0 "[ . 1 . 2]" 1
157 1 17 LEU MD2 1 50 PRO HB3 . . 4.390 4.138 3.642 4.390 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU MD2 1 50 PRO QG . . 4.750 4.052 3.590 4.231 . 0 0 "[ . 1 . 2]" 1
159 1 17 LEU MD2 1 51 ALA H . . 4.240 4.051 3.718 4.230 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU MD2 1 51 ALA HA . . 3.280 2.465 2.059 2.991 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU MD2 1 54 CYS H . . 4.330 3.813 3.556 4.084 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU MD2 1 54 CYS HA . . 4.570 4.362 3.820 4.570 . 0 0 "[ . 1 . 2]" 1
163 1 17 LEU MD2 1 54 CYS QB . . 3.290 2.267 1.946 2.503 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU HG 1 90 LEU H . . 5.500 5.382 5.066 5.501 0.001 4 0 "[ . 1 . 2]" 1
165 1 18 VAL H 1 18 VAL HB . . 3.220 2.592 2.510 2.702 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL H 1 18 VAL QG . . 3.170 2.629 2.509 2.830 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL H 1 24 PHE QD . . 5.100 4.217 3.637 4.472 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL H 1 24 PHE QE . . 4.780 3.343 2.994 3.718 . 0 0 "[ . 1 . 2]" 1
169 1 18 VAL H 1 50 PRO HB2 . . 4.790 3.439 2.838 3.945 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL H 1 50 PRO HB3 . . 4.480 3.883 3.361 4.386 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL HB 1 19 ARG H . . 4.500 4.293 4.198 4.342 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL QG 1 19 ARG H . . 3.360 2.752 2.530 2.886 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL QG 1 20 GLY H . . 5.100 4.628 4.266 4.965 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL QG 1 88 PRO QB . . 4.320 3.847 3.231 4.229 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL QG 1 89 GLN HA . . 4.340 3.886 3.412 4.269 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL QG 1 89 GLN QE . . 4.330 3.618 2.051 4.163 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL QG 1 89 GLN QG . . 3.760 3.428 2.914 3.744 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL MG1 1 24 PHE QE . . 5.500 4.562 4.238 4.885 . 0 0 "[ . 1 . 2]" 1
179 1 18 VAL MG1 1 89 GLN HA . . 5.010 4.655 4.325 5.006 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL MG1 1 89 GLN QG . . 4.670 4.352 3.975 4.602 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL MG2 1 24 PHE QE . . 5.500 4.521 4.210 4.818 . 0 0 "[ . 1 . 2]" 1
182 1 18 VAL MG2 1 89 GLN HA . . 5.010 4.171 3.573 4.629 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL MG2 1 89 GLN QG . . 4.670 3.598 2.997 4.029 . 0 0 "[ . 1 . 2]" 1
184 1 19 ARG H 1 19 ARG QB . . 3.120 2.209 2.120 2.302 . 0 0 "[ . 1 . 2]" 1
185 1 19 ARG H 1 19 ARG QD . . 4.570 4.274 3.291 4.416 . 0 0 "[ . 1 . 2]" 1
186 1 19 ARG H 1 19 ARG HG2 . . 4.590 4.543 4.086 4.646 0.056 19 0 "[ . 1 . 2]" 1
187 1 19 ARG H 1 19 ARG HG3 . . 4.590 4.169 2.773 4.458 . 0 0 "[ . 1 . 2]" 1
188 1 19 ARG H 1 20 GLY H . . 4.900 4.402 4.285 4.592 . 0 0 "[ . 1 . 2]" 1
189 1 19 ARG H 1 24 PHE QD . . 4.920 4.585 4.148 4.911 . 0 0 "[ . 1 . 2]" 1
190 1 19 ARG H 1 24 PHE QE . . 3.640 2.886 2.561 3.224 . 0 0 "[ . 1 . 2]" 1
191 1 19 ARG H 1 24 PHE HZ . . 4.060 2.903 2.611 3.488 . 0 0 "[ . 1 . 2]" 1
192 1 19 ARG H 1 88 PRO HA . . 4.370 3.992 3.365 4.373 0.003 6 0 "[ . 1 . 2]" 1
193 1 19 ARG H 1 88 PRO QB . . 4.710 4.439 4.143 4.705 . 0 0 "[ . 1 . 2]" 1
194 1 19 ARG H 1 89 GLN HA . . 4.110 3.932 3.617 4.110 . 0 0 "[ . 1 . 2]" 1
195 1 19 ARG HA 1 19 ARG HG2 . . 4.000 3.101 2.731 3.478 . 0 0 "[ . 1 . 2]" 1
196 1 19 ARG HA 1 19 ARG QG . . 3.460 2.341 2.202 2.515 . 0 0 "[ . 1 . 2]" 1
197 1 19 ARG HA 1 19 ARG HG3 . . 4.000 2.430 2.245 2.614 . 0 0 "[ . 1 . 2]" 1
198 1 19 ARG HA 1 20 GLY H . . 2.990 2.161 2.144 2.201 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG HA 1 23 GLY H . . 5.500 4.887 3.827 5.478 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG HA 1 23 GLY QA . . 5.070 4.340 3.945 4.760 . 0 0 "[ . 1 . 2]" 1
201 1 19 ARG HA 1 24 PHE HA . . 4.080 3.558 3.098 3.909 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG HA 1 24 PHE QD . . 4.320 3.464 3.151 3.923 . 0 0 "[ . 1 . 2]" 1
203 1 19 ARG HA 1 24 PHE QE . . 4.780 3.225 3.038 3.622 . 0 0 "[ . 1 . 2]" 1
204 1 19 ARG HA 1 24 PHE HZ . . 4.570 3.710 3.244 4.088 . 0 0 "[ . 1 . 2]" 1
205 1 19 ARG HA 1 50 PRO HB3 . . 5.500 5.346 4.842 5.499 . 0 0 "[ . 1 . 2]" 1
206 1 19 ARG HA 1 50 PRO QG . . 4.620 3.778 3.150 4.158 . 0 0 "[ . 1 . 2]" 1
207 1 19 ARG QB 1 19 ARG QD . . 3.220 2.116 2.079 2.131 . 0 0 "[ . 1 . 2]" 1
208 1 19 ARG QB 1 20 GLY H . . 4.030 3.834 3.068 3.958 . 0 0 "[ . 1 . 2]" 1
209 1 19 ARG QB 1 23 GLY QA . . 5.340 4.596 4.046 5.178 . 0 0 "[ . 1 . 2]" 1
210 1 19 ARG QB 1 24 PHE QE . . 4.290 3.399 2.984 4.070 . 0 0 "[ . 1 . 2]" 1
211 1 19 ARG QB 1 24 PHE HZ . . 4.100 3.116 2.755 4.042 . 0 0 "[ . 1 . 2]" 1
212 1 19 ARG QB 1 88 PRO HA . . 3.480 2.917 2.455 3.173 . 0 0 "[ . 1 . 2]" 1
213 1 19 ARG QB 1 88 PRO QB . . 4.370 3.901 3.491 4.179 . 0 0 "[ . 1 . 2]" 1
214 1 19 ARG QD 1 23 GLY H . . 5.500 4.417 3.858 5.094 . 0 0 "[ . 1 . 2]" 1
215 1 19 ARG QD 1 23 GLY QA . . 5.320 3.807 2.906 4.489 . 0 0 "[ . 1 . 2]" 1
216 1 19 ARG QD 1 24 PHE QE . . 3.880 3.618 2.832 3.858 . 0 0 "[ . 1 . 2]" 1
217 1 19 ARG QD 1 24 PHE HZ . . 5.190 4.367 3.214 4.715 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG QD 1 88 PRO HA . . 3.720 3.193 2.052 3.652 . 0 0 "[ . 1 . 2]" 1
219 1 19 ARG QD 1 88 PRO QB . . 4.810 4.344 3.704 4.771 . 0 0 "[ . 1 . 2]" 1
220 1 19 ARG QG 1 20 GLY H . . 3.650 3.201 2.797 3.560 . 0 0 "[ . 1 . 2]" 1
221 1 19 ARG QG 1 23 GLY H . . 4.280 2.923 2.065 3.529 . 0 0 "[ . 1 . 2]" 1
222 1 19 ARG QG 1 23 GLY QA . . 3.760 2.721 2.221 3.218 . 0 0 "[ . 1 . 2]" 1
223 1 19 ARG QG 1 24 PHE QE . . 5.160 3.643 2.702 4.670 . 0 0 "[ . 1 . 2]" 1
224 1 19 ARG QG 1 88 PRO HA . . 5.340 4.654 4.022 5.005 . 0 0 "[ . 1 . 2]" 1
225 1 19 ARG HG2 1 20 GLY H . . 4.220 3.679 3.221 4.102 . 0 0 "[ . 1 . 2]" 1
226 1 19 ARG HG2 1 23 GLY H . . 4.990 3.287 2.532 4.341 . 0 0 "[ . 1 . 2]" 1
227 1 19 ARG HG3 1 20 GLY H . . 4.220 3.592 2.910 4.239 0.019 16 0 "[ . 1 . 2]" 1
228 1 19 ARG HG3 1 23 GLY H . . 4.990 3.513 2.138 4.731 . 0 0 "[ . 1 . 2]" 1
229 1 20 GLY H 1 23 GLY H . . 4.990 4.388 3.122 4.938 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLY H 1 23 GLY QA . . 5.340 4.472 3.931 5.183 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLY H 1 24 PHE HA . . 4.380 3.064 2.619 3.796 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLY H 1 50 PRO HD2 . . 5.500 4.830 4.289 5.213 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLY H 1 50 PRO HG2 . . 4.370 4.217 3.943 4.370 . 7 0 "[ . 1 . 2]" 1
234 1 20 GLY H 1 50 PRO HG3 . . 4.370 2.682 2.387 2.864 . 0 0 "[ . 1 . 2]" 1
235 1 20 GLY HA3 1 50 PRO HG2 . . 5.400 4.947 4.436 5.255 . 0 0 "[ . 1 . 2]" 1
236 1 20 GLY HA3 1 50 PRO QG . . 4.640 3.215 2.727 3.570 . 0 0 "[ . 1 . 2]" 1
237 1 20 GLY HA3 1 50 PRO HG3 . . 5.400 3.257 2.753 3.632 . 0 0 "[ . 1 . 2]" 1
238 1 21 TYR HA 1 21 TYR QD . . 3.790 2.938 2.465 3.733 . 0 0 "[ . 1 . 2]" 1
239 1 21 TYR QD 1 22 ALA MB . . 4.020 2.686 2.017 3.659 . 0 0 "[ . 1 . 2]" 1
240 1 21 TYR QE 1 22 ALA MB . . 4.330 3.476 2.499 4.252 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA H 1 23 GLY H . . 4.720 3.073 2.631 4.066 . 0 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 23 GLY H . . 4.470 3.668 3.388 3.722 . 0 0 "[ . 1 . 2]" 1
243 1 22 ALA MB 1 23 GLY QA . . 5.340 3.977 3.870 4.121 . 0 0 "[ . 1 . 2]" 1
244 1 23 GLY H 1 24 PHE H . . 5.300 4.470 3.990 4.636 . 0 0 "[ . 1 . 2]" 1
245 1 24 PHE HA 1 24 PHE QD . . 4.010 2.823 2.506 3.037 . 0 0 "[ . 1 . 2]" 1
246 1 24 PHE HA 1 50 PRO HD2 . . 4.270 3.497 2.920 3.920 . 0 0 "[ . 1 . 2]" 1
247 1 24 PHE HA 1 50 PRO HD3 . . 4.710 4.047 3.398 4.391 . 0 0 "[ . 1 . 2]" 1
248 1 24 PHE HA 1 50 PRO QG . . 3.680 2.312 2.068 2.598 . 0 0 "[ . 1 . 2]" 1
249 1 24 PHE HA 1 51 ALA H . . 5.350 4.622 4.161 5.324 . 0 0 "[ . 1 . 2]" 1
250 1 24 PHE HB2 1 26 LEU H . . 4.640 3.040 2.873 3.227 . 0 0 "[ . 1 . 2]" 1
251 1 24 PHE HB2 1 50 PRO QG . . 5.350 4.332 3.993 4.654 . 0 0 "[ . 1 . 2]" 1
252 1 24 PHE HB2 1 51 ALA MB . . 4.910 4.455 3.914 4.896 . 0 0 "[ . 1 . 2]" 1
253 1 24 PHE HB2 1 90 LEU MD1 . . 4.370 3.254 3.065 3.545 . 0 0 "[ . 1 . 2]" 1
254 1 24 PHE HB2 1 90 LEU MD2 . . 5.500 5.407 5.165 5.500 . 7 0 "[ . 1 . 2]" 1
255 1 24 PHE HB3 1 26 LEU QB . . 4.760 3.184 3.040 3.340 . 0 0 "[ . 1 . 2]" 1
256 1 24 PHE HB3 1 26 LEU MD2 . . 4.350 4.148 3.902 4.339 . 0 0 "[ . 1 . 2]" 1
257 1 24 PHE HB3 1 50 PRO HD2 . . 5.050 4.600 3.978 4.982 . 0 0 "[ . 1 . 2]" 1
258 1 24 PHE HB3 1 51 ALA H . . 4.930 4.282 3.635 4.778 . 0 0 "[ . 1 . 2]" 1
259 1 24 PHE HB3 1 51 ALA MB . . 4.700 3.189 2.673 3.624 . 0 0 "[ . 1 . 2]" 1
260 1 24 PHE HB3 1 83 ILE MG . . 5.500 5.031 4.571 5.287 . 0 0 "[ . 1 . 2]" 1
261 1 24 PHE HB3 1 90 LEU MD1 . . 4.370 3.103 2.793 3.396 . 0 0 "[ . 1 . 2]" 1
262 1 24 PHE HB3 1 90 LEU MD2 . . 5.270 4.717 4.469 5.010 . 0 0 "[ . 1 . 2]" 1
263 1 24 PHE QD 1 83 ILE MG . . 3.730 3.333 3.033 3.593 . 0 0 "[ . 1 . 2]" 1
264 1 24 PHE QD 1 90 LEU H . . 5.500 5.183 4.907 5.378 . 0 0 "[ . 1 . 2]" 1
265 1 24 PHE QD 1 90 LEU MD1 . . 4.310 2.903 2.683 3.163 . 0 0 "[ . 1 . 2]" 1
266 1 24 PHE QD 1 90 LEU MD2 . . 5.500 4.081 3.641 4.454 . 0 0 "[ . 1 . 2]" 1
267 1 24 PHE QE 1 83 ILE MG . . 3.870 3.467 3.095 3.763 . 0 0 "[ . 1 . 2]" 1
268 1 24 PHE QE 1 88 PRO HA . . 5.250 4.855 4.468 5.246 . 0 0 "[ . 1 . 2]" 1
269 1 24 PHE QE 1 89 GLN HA . . 4.490 4.079 3.746 4.412 . 0 0 "[ . 1 . 2]" 1
270 1 24 PHE QE 1 90 LEU H . . 4.120 3.289 2.907 3.661 . 0 0 "[ . 1 . 2]" 1
271 1 24 PHE QE 1 90 LEU HB2 . . 4.700 2.865 2.572 3.032 . 0 0 "[ . 1 . 2]" 1
272 1 24 PHE QE 1 90 LEU QB . . 4.080 2.459 2.258 2.720 . 0 0 "[ . 1 . 2]" 1
273 1 24 PHE QE 1 90 LEU HB3 . . 4.700 2.713 2.329 3.231 . 0 0 "[ . 1 . 2]" 1
274 1 24 PHE QE 1 90 LEU MD1 . . 4.500 3.354 3.161 3.603 . 0 0 "[ . 1 . 2]" 1
275 1 24 PHE QE 1 90 LEU MD2 . . 4.780 3.930 3.578 4.315 . 0 0 "[ . 1 . 2]" 1
276 1 24 PHE HZ 1 88 PRO HA . . 4.930 4.283 4.010 4.544 . 0 0 "[ . 1 . 2]" 1
277 1 24 PHE HZ 1 89 GLN H . . 4.730 4.560 4.337 4.702 . 0 0 "[ . 1 . 2]" 1
278 1 24 PHE HZ 1 89 GLN HA . . 4.650 3.394 2.959 3.764 . 0 0 "[ . 1 . 2]" 1
279 1 24 PHE HZ 1 90 LEU H . . 4.330 3.022 2.408 3.497 . 0 0 "[ . 1 . 2]" 1
280 1 24 PHE HZ 1 90 LEU HB2 . . 4.780 2.791 2.576 3.162 . 0 0 "[ . 1 . 2]" 1
281 1 24 PHE HZ 1 90 LEU QB . . 4.180 2.599 2.436 2.855 . 0 0 "[ . 1 . 2]" 1
282 1 24 PHE HZ 1 90 LEU HB3 . . 4.780 3.132 2.747 3.419 . 0 0 "[ . 1 . 2]" 1
283 1 24 PHE HZ 1 90 LEU MD2 . . 5.500 4.791 4.444 4.971 . 0 0 "[ . 1 . 2]" 1
284 1 25 GLY H 1 26 LEU H . . 4.070 2.451 2.221 2.637 . 0 0 "[ . 1 . 2]" 1
285 1 25 GLY HA2 1 46 LEU H . . 4.380 4.250 4.040 4.374 . 0 0 "[ . 1 . 2]" 1
286 1 25 GLY HA2 1 46 LEU HB2 . . 4.120 2.610 2.345 2.841 . 0 0 "[ . 1 . 2]" 1
287 1 25 GLY HA2 1 46 LEU HB3 . . 4.120 3.558 2.981 3.952 . 0 0 "[ . 1 . 2]" 1
288 1 25 GLY HA2 1 46 LEU MD1 . . 4.430 3.221 2.026 4.429 . 0 0 "[ . 1 . 2]" 1
289 1 25 GLY HA2 1 46 LEU QD . . 3.790 2.612 2.022 3.492 . 0 0 "[ . 1 . 2]" 1
290 1 25 GLY HA2 1 46 LEU MD2 . . 4.430 3.094 2.110 4.286 . 0 0 "[ . 1 . 2]" 1
291 1 25 GLY HA2 1 46 LEU HG . . 4.840 4.060 2.822 4.839 . 0 0 "[ . 1 . 2]" 1
292 1 25 GLY HA3 1 46 LEU H . . 4.580 3.641 3.487 3.888 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLY HA3 1 46 LEU HB2 . . 4.210 2.188 2.001 2.726 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLY HA3 1 46 LEU QB . . 3.440 1.948 1.815 2.097 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLY HA3 1 46 LEU HB3 . . 4.210 2.278 2.015 2.615 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLY HA3 1 46 LEU MD1 . . 4.670 3.296 2.182 4.010 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLY HA3 1 46 LEU MD2 . . 4.670 2.913 1.972 4.227 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLY HA3 1 50 PRO HD2 . . 4.560 3.704 3.328 4.030 . 0 0 "[ . 1 . 2]" 1
299 1 25 GLY HA3 1 50 PRO HD3 . . 5.500 5.178 4.722 5.502 0.002 10 0 "[ . 1 . 2]" 1
300 1 26 LEU H 1 26 LEU HB2 . . 4.010 2.766 2.568 2.936 . 0 0 "[ . 1 . 2]" 1
301 1 26 LEU H 1 26 LEU QB . . 3.430 2.406 2.354 2.487 . 0 0 "[ . 1 . 2]" 1
302 1 26 LEU H 1 26 LEU HB3 . . 4.010 2.656 2.567 2.764 . 0 0 "[ . 1 . 2]" 1
303 1 26 LEU H 1 26 LEU MD1 . . 4.490 4.138 3.944 4.258 . 0 0 "[ . 1 . 2]" 1
304 1 26 LEU H 1 26 LEU MD2 . . 4.710 4.389 4.327 4.480 . 0 0 "[ . 1 . 2]" 1
305 1 26 LEU H 1 27 THR H . . 4.900 4.422 4.341 4.482 . 0 0 "[ . 1 . 2]" 1
306 1 26 LEU H 1 46 LEU QD . . 5.440 4.785 4.343 5.433 . 0 0 "[ . 1 . 2]" 1
307 1 26 LEU HA 1 26 LEU MD1 . . 4.050 2.006 1.944 2.178 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU HA 1 26 LEU MD2 . . 4.550 3.853 3.750 3.900 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU HA 1 27 THR H . . 2.870 2.155 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HA 1 27 THR HB . . 4.950 4.697 4.502 4.949 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU QB 1 26 LEU MD1 . . 3.160 2.282 2.218 2.348 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU HB2 1 26 LEU MD1 . . 3.650 2.339 2.264 2.419 . 0 0 "[ . 1 . 2]" 1
313 1 26 LEU HB2 1 27 THR H . . 4.420 4.294 4.200 4.376 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU HB3 1 26 LEU MD1 . . 3.650 3.183 3.177 3.196 . 0 0 "[ . 1 . 2]" 1
315 1 26 LEU HB3 1 27 THR H . . 4.420 4.063 3.943 4.147 . 0 0 "[ . 1 . 2]" 1
316 1 26 LEU MD1 1 27 THR H . . 3.450 2.774 2.440 3.018 . 0 0 "[ . 1 . 2]" 1
317 1 26 LEU MD1 1 27 THR HB . . 5.480 4.975 4.652 5.254 . 0 0 "[ . 1 . 2]" 1
318 1 26 LEU MD1 1 42 VAL HA . . 3.990 3.761 3.408 3.978 . 0 0 "[ . 1 . 2]" 1
319 1 26 LEU MD1 1 43 ARG H . . 4.810 4.217 3.836 4.571 . 0 0 "[ . 1 . 2]" 1
320 1 26 LEU MD1 1 44 GLY H . . 4.990 4.726 4.269 4.982 . 0 0 "[ . 1 . 2]" 1
321 1 26 LEU MD1 1 45 LEU HA . . 3.450 3.283 2.999 3.414 . 0 0 "[ . 1 . 2]" 1
322 1 26 LEU MD1 1 46 LEU H . . 4.330 4.266 4.117 4.328 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU MD1 1 51 ALA HA . . 4.950 4.595 4.244 4.929 . 0 0 "[ . 1 . 2]" 1
324 1 26 LEU MD1 1 52 GLN H . . 5.250 4.933 4.503 5.137 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU HG 1 27 THR H . . 4.170 3.017 2.812 3.268 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU HG 1 42 VAL HA . . 4.610 4.306 4.025 4.533 . 0 0 "[ . 1 . 2]" 1
327 1 27 THR H 1 27 THR HB . . 3.280 2.740 2.577 2.941 . 0 0 "[ . 1 . 2]" 1
328 1 27 THR H 1 27 THR MG . . 4.320 3.892 3.810 3.929 . 0 0 "[ . 1 . 2]" 1
329 1 27 THR H 1 28 LEU H . . 4.800 4.442 4.290 4.509 . 0 0 "[ . 1 . 2]" 1
330 1 27 THR H 1 42 VAL MG1 . . 4.310 3.726 3.466 3.979 . 0 0 "[ . 1 . 2]" 1
331 1 27 THR H 1 43 ARG H . . 4.920 4.018 3.721 4.256 . 0 0 "[ . 1 . 2]" 1
332 1 27 THR H 1 44 GLY H . . 3.710 3.468 3.245 3.639 . 0 0 "[ . 1 . 2]" 1
333 1 27 THR HA 1 27 THR MG . . 3.270 2.281 2.102 2.467 . 0 0 "[ . 1 . 2]" 1
334 1 27 THR HA 1 28 LEU H . . 3.430 2.248 2.144 2.373 . 0 0 "[ . 1 . 2]" 1
335 1 27 THR HA 1 44 GLY H . . 4.920 4.826 4.635 4.919 . 0 0 "[ . 1 . 2]" 1
336 1 27 THR HB 1 28 LEU H . . 4.670 3.836 3.560 4.142 . 0 0 "[ . 1 . 2]" 1
337 1 27 THR HB 1 42 VAL MG1 . . 5.500 4.741 4.328 5.069 . 0 0 "[ . 1 . 2]" 1
338 1 27 THR HB 1 43 ARG H . . 4.540 3.926 3.501 4.298 . 0 0 "[ . 1 . 2]" 1
339 1 27 THR HB 1 43 ARG QB . . 4.300 2.865 2.564 3.237 . 0 0 "[ . 1 . 2]" 1
340 1 27 THR HB 1 43 ARG QG . . 4.940 4.482 3.169 4.922 . 0 0 "[ . 1 . 2]" 1
341 1 27 THR HB 1 44 GLY H . . 3.100 2.301 1.946 2.572 . 0 0 "[ . 1 . 2]" 1
342 1 27 THR HB 1 44 GLY HA2 . . 4.870 4.717 4.428 4.870 . 0 0 "[ . 1 . 2]" 1
343 1 27 THR MG 1 28 LEU H . . 4.030 2.164 1.869 2.653 . 0 0 "[ . 1 . 2]" 1
344 1 27 THR MG 1 28 LEU HA . . 4.670 3.834 3.569 4.268 . 0 0 "[ . 1 . 2]" 1
345 1 27 THR MG 1 43 ARG H . . 4.680 4.212 3.778 4.604 . 0 0 "[ . 1 . 2]" 1
346 1 27 THR MG 1 43 ARG HB2 . . 4.060 3.648 3.330 4.056 . 0 0 "[ . 1 . 2]" 1
347 1 27 THR MG 1 43 ARG HB3 . . 4.060 2.764 2.257 3.393 . 0 0 "[ . 1 . 2]" 1
348 1 27 THR MG 1 43 ARG HD2 . . 5.500 4.017 2.879 5.399 . 0 0 "[ . 1 . 2]" 1
349 1 27 THR MG 1 43 ARG HD3 . . 5.500 4.722 3.673 5.454 . 0 0 "[ . 1 . 2]" 1
350 1 27 THR MG 1 44 GLY H . . 4.240 3.464 2.989 3.786 . 0 0 "[ . 1 . 2]" 1
351 1 28 LEU H 1 28 LEU MD1 . . 4.560 3.872 3.543 4.125 . 0 0 "[ . 1 . 2]" 1
352 1 28 LEU H 1 28 LEU MD2 . . 5.050 4.310 4.172 4.455 . 0 0 "[ . 1 . 2]" 1
353 1 28 LEU H 1 28 LEU HG . . 4.210 3.468 3.269 3.663 . 0 0 "[ . 1 . 2]" 1
354 1 28 LEU H 1 43 ARG QB . . 5.070 4.010 3.554 4.410 . 0 0 "[ . 1 . 2]" 1
355 1 28 LEU HA 1 28 LEU MD1 . . 4.390 3.824 3.786 3.883 . 0 0 "[ . 1 . 2]" 1
356 1 28 LEU HA 1 28 LEU MD2 . . 3.150 2.276 2.001 2.554 . 0 0 "[ . 1 . 2]" 1
357 1 28 LEU HA 1 29 GLY H . . 3.380 2.200 2.143 2.297 . 0 0 "[ . 1 . 2]" 1
358 1 28 LEU HA 1 42 VAL HA . . 3.700 2.787 2.483 3.144 . 0 0 "[ . 1 . 2]" 1
359 1 28 LEU HA 1 42 VAL MG2 . . 4.740 4.439 4.071 4.676 . 0 0 "[ . 1 . 2]" 1
360 1 28 LEU HA 1 43 ARG H . . 3.530 2.622 2.375 2.821 . 0 0 "[ . 1 . 2]" 1
361 1 28 LEU HA 1 43 ARG QB . . 4.610 2.977 2.730 3.214 . 0 0 "[ . 1 . 2]" 1
362 1 28 LEU HA 1 44 GLY H . . 4.980 4.542 4.373 4.830 . 0 0 "[ . 1 . 2]" 1
363 1 28 LEU QB 1 28 LEU MD1 . . 3.100 2.030 1.942 2.100 . 0 0 "[ . 1 . 2]" 1
364 1 28 LEU QB 1 28 LEU MD2 . . 3.050 2.170 2.016 2.282 . 0 0 "[ . 1 . 2]" 1
365 1 28 LEU QB 1 29 GLY H . . 3.730 3.072 2.742 3.451 . 0 0 "[ . 1 . 2]" 1
366 1 28 LEU QB 1 76 HIS HD2 . . 4.130 2.973 2.138 3.849 . 0 0 "[ . 1 . 2]" 1
367 1 28 LEU HB2 1 28 LEU MD2 . . 3.560 3.160 3.125 3.188 . 0 0 "[ . 1 . 2]" 1
368 1 28 LEU HB2 1 29 GLY H . . 4.550 4.261 4.072 4.480 . 0 0 "[ . 1 . 2]" 1
369 1 28 LEU HB2 1 76 HIS HD2 . . 4.700 3.310 2.396 4.194 . 0 0 "[ . 1 . 2]" 1
370 1 28 LEU HB3 1 28 LEU MD2 . . 3.560 2.212 2.042 2.338 . 0 0 "[ . 1 . 2]" 1
371 1 28 LEU HB3 1 29 GLY H . . 4.550 3.153 2.787 3.588 . 0 0 "[ . 1 . 2]" 1
372 1 28 LEU HB3 1 76 HIS HD2 . . 4.700 3.468 2.404 4.479 . 0 0 "[ . 1 . 2]" 1
373 1 28 LEU MD1 1 80 VAL H . . 4.950 4.491 3.958 4.904 . 0 0 "[ . 1 . 2]" 1
374 1 28 LEU MD1 1 80 VAL HA . . 4.530 4.041 3.484 4.526 . 0 0 "[ . 1 . 2]" 1
375 1 28 LEU MD2 1 29 GLY H . . 4.150 2.991 2.724 3.468 . 0 0 "[ . 1 . 2]" 1
376 1 28 LEU MD2 1 40 LEU H . . 5.500 5.102 4.695 5.480 . 0 0 "[ . 1 . 2]" 1
377 1 28 LEU MD2 1 41 ALA H . . 4.110 2.506 2.290 2.750 . 0 0 "[ . 1 . 2]" 1
378 1 28 LEU MD2 1 41 ALA HA . . 4.810 2.939 2.693 3.131 . 0 0 "[ . 1 . 2]" 1
379 1 28 LEU MD2 1 42 VAL H . . 3.870 2.991 2.726 3.397 . 0 0 "[ . 1 . 2]" 1
380 1 28 LEU MD2 1 42 VAL HA . . 3.270 2.507 2.051 2.957 . 0 0 "[ . 1 . 2]" 1
381 1 28 LEU MD2 1 43 ARG H . . 4.010 3.771 3.554 4.008 . 0 0 "[ . 1 . 2]" 1
382 1 28 LEU HG 1 41 ALA H . . 5.330 5.273 5.114 5.329 . 0 0 "[ . 1 . 2]" 1
383 1 28 LEU HG 1 42 VAL HA . . 5.100 3.522 3.250 3.870 . 0 0 "[ . 1 . 2]" 1
384 1 29 GLY H 1 30 GLY H . . 4.740 4.234 3.909 4.507 . 0 0 "[ . 1 . 2]" 1
385 1 29 GLY H 1 40 LEU MD2 . . 4.510 4.027 3.617 4.428 . 0 0 "[ . 1 . 2]" 1
386 1 29 GLY H 1 41 ALA MB . . 4.620 4.325 4.146 4.589 . 0 0 "[ . 1 . 2]" 1
387 1 29 GLY H 1 42 VAL HA . . 4.620 3.906 3.555 4.218 . 0 0 "[ . 1 . 2]" 1
388 1 29 GLY H 1 43 ARG H . . 4.650 3.412 2.904 3.913 . 0 0 "[ . 1 . 2]" 1
389 1 29 GLY H 1 43 ARG QB . . 4.180 2.283 1.893 2.604 . 0 0 "[ . 1 . 2]" 1
390 1 29 GLY H 1 43 ARG HG2 . . 5.030 4.449 4.019 4.734 . 0 0 "[ . 1 . 2]" 1
391 1 29 GLY H 1 43 ARG QG . . 4.320 3.886 3.538 4.169 . 0 0 "[ . 1 . 2]" 1
392 1 29 GLY H 1 43 ARG HG3 . . 5.030 4.368 3.808 5.033 0.003 4 0 "[ . 1 . 2]" 1
393 1 29 GLY QA 1 30 GLY H . . 2.970 2.145 2.114 2.203 . 0 0 "[ . 1 . 2]" 1
394 1 29 GLY QA 1 43 ARG QB . . 4.210 2.238 1.932 2.560 . 0 0 "[ . 1 . 2]" 1
395 1 29 GLY QA 1 43 ARG QG . . 3.640 2.479 2.213 3.104 . 0 0 "[ . 1 . 2]" 1
396 1 29 GLY HA2 1 30 GLY H . . 3.480 2.174 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
397 1 29 GLY HA2 1 43 ARG HG2 . . 5.030 4.392 3.494 4.950 . 0 0 "[ . 1 . 2]" 1
398 1 29 GLY HA2 1 43 ARG HG3 . . 5.030 3.828 3.032 5.035 0.005 4 0 "[ . 1 . 2]" 1
399 1 29 GLY HA3 1 30 GLY H . . 3.480 3.303 2.962 3.458 . 0 0 "[ . 1 . 2]" 1
400 1 29 GLY HA3 1 43 ARG HG2 . . 5.030 3.172 2.549 3.577 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLY HA3 1 43 ARG HG3 . . 5.030 2.999 2.309 4.738 . 0 0 "[ . 1 . 2]" 1
402 1 30 GLY H 1 31 GLY H . . 4.670 4.420 4.297 4.530 . 0 0 "[ . 1 . 2]" 1
403 1 30 GLY H 1 40 LEU MD2 . . 4.660 4.077 3.326 4.643 . 0 0 "[ . 1 . 2]" 1
404 1 30 GLY QA 1 31 GLY H . . 3.120 2.132 2.113 2.175 . 0 0 "[ . 1 . 2]" 1
405 1 30 GLY QA 1 38 THR MG . . 3.890 3.688 3.402 3.889 . 0 0 "[ . 1 . 2]" 1
406 1 30 GLY HA2 1 38 THR MG . . 4.600 4.084 3.695 4.484 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLY HA3 1 38 THR MG . . 4.600 4.224 3.959 4.562 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLY H 1 32 ARG H . . 4.600 4.547 4.401 4.614 0.014 19 0 "[ . 1 . 2]" 1
409 1 31 GLY H 1 38 THR H . . 4.080 3.787 3.444 4.074 . 0 0 "[ . 1 . 2]" 1
410 1 31 GLY H 1 38 THR HB . . 4.460 3.244 2.899 3.708 . 0 0 "[ . 1 . 2]" 1
411 1 31 GLY H 1 38 THR MG . . 4.460 4.233 3.733 4.459 . 0 0 "[ . 1 . 2]" 1
412 1 31 GLY H 1 40 LEU H . . 4.710 3.924 3.343 4.159 . 0 0 "[ . 1 . 2]" 1
413 1 31 GLY H 1 40 LEU HB2 . . 5.500 5.249 4.714 5.503 0.003 4 0 "[ . 1 . 2]" 1
414 1 31 GLY H 1 40 LEU MD2 . . 4.510 3.504 3.048 3.880 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLY HA2 1 32 ARG H . . 3.350 2.701 2.411 3.048 . 0 0 "[ . 1 . 2]" 1
416 1 31 GLY HA2 1 40 LEU HB2 . . 4.130 4.023 3.869 4.129 . 0 0 "[ . 1 . 2]" 1
417 1 31 GLY HA2 1 40 LEU MD1 . . 4.790 3.581 3.221 3.793 . 0 0 "[ . 1 . 2]" 1
418 1 31 GLY HA2 1 40 LEU MD2 . . 3.810 3.088 2.638 3.617 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLY HA3 1 32 ARG H . . 3.330 2.449 2.190 2.727 . 0 0 "[ . 1 . 2]" 1
420 1 31 GLY HA3 1 38 THR H . . 4.970 4.790 4.437 4.953 . 0 0 "[ . 1 . 2]" 1
421 1 31 GLY HA3 1 40 LEU H . . 4.560 4.421 4.274 4.553 . 0 0 "[ . 1 . 2]" 1
422 1 31 GLY HA3 1 40 LEU HB2 . . 4.920 4.831 4.607 4.920 0.000 4 0 "[ . 1 . 2]" 1
423 1 31 GLY HA3 1 40 LEU MD2 . . 3.440 2.321 1.926 2.927 . 0 0 "[ . 1 . 2]" 1
424 1 31 GLY HA3 1 40 LEU HG . . 4.660 2.367 2.228 2.481 . 0 0 "[ . 1 . 2]" 1
425 1 31 GLY HA3 1 76 HIS HB2 . . 3.890 3.076 2.085 3.885 . 0 0 "[ . 1 . 2]" 1
426 1 32 ARG H 1 32 ARG HB2 . . 3.340 2.522 2.213 2.929 . 0 0 "[ . 1 . 2]" 1
427 1 32 ARG H 1 32 ARG QB . . 2.910 2.250 2.137 2.341 . 0 0 "[ . 1 . 2]" 1
428 1 32 ARG H 1 32 ARG HB3 . . 3.340 2.619 2.196 2.891 . 0 0 "[ . 1 . 2]" 1
429 1 32 ARG H 1 32 ARG HG2 . . 4.860 4.463 4.113 4.666 . 0 0 "[ . 1 . 2]" 1
430 1 32 ARG H 1 32 ARG QG . . 4.190 3.974 3.828 4.082 . 0 0 "[ . 1 . 2]" 1
431 1 32 ARG H 1 32 ARG HG3 . . 4.860 4.476 4.269 4.656 . 0 0 "[ . 1 . 2]" 1
432 1 32 ARG H 1 33 ASP H . . 4.520 4.360 4.255 4.490 . 0 0 "[ . 1 . 2]" 1
433 1 32 ARG H 1 40 LEU MD1 . . 4.790 3.860 3.574 4.210 . 0 0 "[ . 1 . 2]" 1
434 1 32 ARG H 1 40 LEU MD2 . . 5.500 4.111 3.613 4.687 . 0 0 "[ . 1 . 2]" 1
435 1 32 ARG H 1 75 THR MG . . 4.740 4.327 3.593 4.734 . 0 0 "[ . 1 . 2]" 1
436 1 32 ARG H 1 76 HIS H . . 4.440 3.524 2.722 4.199 . 0 0 "[ . 1 . 2]" 1
437 1 32 ARG HA 1 32 ARG HG2 . . 4.020 3.068 2.218 3.822 . 0 0 "[ . 1 . 2]" 1
438 1 32 ARG HA 1 32 ARG HG3 . . 4.020 2.843 2.254 3.595 . 0 0 "[ . 1 . 2]" 1
439 1 32 ARG HA 1 33 ASP H . . 3.200 2.154 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
440 1 32 ARG HA 1 33 ASP QB . . 4.990 4.335 4.085 4.735 . 0 0 "[ . 1 . 2]" 1
441 1 32 ARG HA 1 38 THR H . . 3.790 2.984 2.321 3.536 . 0 0 "[ . 1 . 2]" 1
442 1 32 ARG HA 1 75 THR MG . . 5.300 4.716 4.212 5.298 . 0 0 "[ . 1 . 2]" 1
443 1 32 ARG QB 1 32 ARG QD . . 3.200 2.230 2.058 2.563 . 0 0 "[ . 1 . 2]" 1
444 1 32 ARG QB 1 33 ASP H . . 4.190 3.886 3.722 3.950 . 0 0 "[ . 1 . 2]" 1
445 1 32 ARG HB2 1 33 ASP H . . 4.830 4.455 4.177 4.581 . 0 0 "[ . 1 . 2]" 1
446 1 32 ARG HB3 1 33 ASP H . . 4.830 4.293 4.003 4.517 . 0 0 "[ . 1 . 2]" 1
447 1 32 ARG QD 1 75 THR MG . . 4.170 2.838 2.025 4.164 . 0 0 "[ . 1 . 2]" 1
448 1 32 ARG HD2 1 75 THR MG . . 4.800 3.354 2.173 4.663 . 0 0 "[ . 1 . 2]" 1
449 1 32 ARG HD3 1 75 THR MG . . 4.800 3.459 2.045 4.771 . 0 0 "[ . 1 . 2]" 1
450 1 32 ARG QG 1 33 ASP H . . 3.910 3.253 2.839 3.587 . 0 0 "[ . 1 . 2]" 1
451 1 33 ASP H 1 34 VAL H . . 4.800 4.494 4.438 4.557 . 0 0 "[ . 1 . 2]" 1
452 1 33 ASP H 1 36 GLY H . . 4.200 3.758 3.349 4.164 . 0 0 "[ . 1 . 2]" 1
453 1 33 ASP H 1 38 THR H . . 4.450 3.537 3.136 4.135 . 0 0 "[ . 1 . 2]" 1
454 1 33 ASP QB 1 34 VAL H . . 3.680 2.916 2.458 3.529 . 0 0 "[ . 1 . 2]" 1
455 1 33 ASP QB 1 34 VAL QG . . 4.410 3.726 2.840 4.383 . 0 0 "[ . 1 . 2]" 1
456 1 33 ASP QB 1 35 ALA H . . 4.120 2.653 2.206 3.157 . 0 0 "[ . 1 . 2]" 1
457 1 33 ASP QB 1 35 ALA HA . . 5.500 4.868 4.680 5.202 . 0 0 "[ . 1 . 2]" 1
458 1 33 ASP QB 1 35 ALA MB . . 4.540 3.598 3.006 4.310 . 0 0 "[ . 1 . 2]" 1
459 1 33 ASP QB 1 36 GLY H . . 3.970 2.651 1.900 3.668 . 0 0 "[ . 1 . 2]" 1
460 1 34 VAL H 1 34 VAL HB . . 3.530 2.735 2.358 3.613 0.083 7 0 "[ . 1 . 2]" 1
461 1 34 VAL H 1 34 VAL QG . . 3.320 2.053 1.807 2.438 . 0 0 "[ . 1 . 2]" 1
462 1 34 VAL H 1 35 ALA H . . 3.930 2.681 2.548 2.839 . 0 0 "[ . 1 . 2]" 1
463 1 34 VAL H 1 35 ALA HA . . 5.440 5.284 5.193 5.374 . 0 0 "[ . 1 . 2]" 1
464 1 34 VAL HA 1 34 VAL QG . . 3.140 2.186 2.039 2.384 . 0 0 "[ . 1 . 2]" 1
465 1 34 VAL HA 1 36 GLY H . . 4.470 4.019 3.417 4.446 . 0 0 "[ . 1 . 2]" 1
466 1 34 VAL HB 1 35 ALA H . . 4.120 3.619 2.489 4.120 . 0 0 "[ . 1 . 2]" 1
467 1 34 VAL QG 1 35 ALA H . . 3.480 2.566 1.938 3.438 . 0 0 "[ . 1 . 2]" 1
468 1 34 VAL QG 1 35 ALA HA . . 4.060 3.512 3.014 4.061 0.001 1 0 "[ . 1 . 2]" 1
469 1 34 VAL QG 1 36 GLY H . . 4.870 4.103 3.686 4.624 . 0 0 "[ . 1 . 2]" 1
470 1 35 ALA H 1 35 ALA MB . . 3.110 2.314 2.149 2.554 . 0 0 "[ . 1 . 2]" 1
471 1 35 ALA H 1 36 GLY H . . 3.230 2.430 1.920 2.909 . 0 0 "[ . 1 . 2]" 1
472 1 35 ALA MB 1 36 GLY H . . 3.910 3.348 2.790 3.619 . 0 0 "[ . 1 . 2]" 1
473 1 35 ALA MB 1 36 GLY QA . . 4.790 3.780 3.542 3.914 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLY QA 1 37 ASP QB . . 4.740 4.063 3.718 4.452 . 0 0 "[ . 1 . 2]" 1
475 1 37 ASP H 1 37 ASP QB . . 3.670 2.781 2.450 3.173 . 0 0 "[ . 1 . 2]" 1
476 1 37 ASP H 1 38 THR H . . 4.480 4.245 3.996 4.454 . 0 0 "[ . 1 . 2]" 1
477 1 37 ASP QB 1 38 THR H . . 3.610 3.481 3.275 3.581 . 0 0 "[ . 1 . 2]" 1
478 1 38 THR H 1 38 THR HB . . 4.050 3.804 3.592 3.942 . 0 0 "[ . 1 . 2]" 1
479 1 38 THR H 1 38 THR MG . . 3.790 3.161 2.623 3.630 . 0 0 "[ . 1 . 2]" 1
480 1 38 THR H 1 39 PRO QD . . 4.850 4.311 4.242 4.375 . 0 0 "[ . 1 . 2]" 1
481 1 38 THR HA 1 38 THR MG . . 3.540 2.257 2.018 2.440 . 0 0 "[ . 1 . 2]" 1
482 1 38 THR HB 1 39 PRO HD2 . . 3.740 2.201 1.996 2.334 . 0 0 "[ . 1 . 2]" 1
483 1 38 THR HB 1 39 PRO QD . . 3.050 2.183 1.983 2.311 . 0 0 "[ . 1 . 2]" 1
484 1 38 THR HB 1 39 PRO HD3 . . 3.740 3.621 3.425 3.731 . 0 0 "[ . 1 . 2]" 1
485 1 38 THR MG 1 39 PRO HD2 . . 4.150 2.917 2.487 3.470 . 0 0 "[ . 1 . 2]" 1
486 1 38 THR MG 1 39 PRO QD . . 3.400 2.817 2.434 3.307 . 0 0 "[ . 1 . 2]" 1
487 1 38 THR MG 1 39 PRO HD3 . . 4.150 3.731 3.366 4.167 0.017 4 0 "[ . 1 . 2]" 1
488 1 39 PRO HA 1 40 LEU H . . 2.780 2.158 2.152 2.166 . 0 0 "[ . 1 . 2]" 1
489 1 39 PRO HA 1 40 LEU HB2 . . 4.370 4.293 4.256 4.355 . 0 0 "[ . 1 . 2]" 1
490 1 39 PRO HA 1 40 LEU MD1 . . 5.500 5.232 4.964 5.415 . 0 0 "[ . 1 . 2]" 1
491 1 39 PRO HA 1 62 LEU MD2 . . 5.500 5.135 4.858 5.311 . 0 0 "[ . 1 . 2]" 1
492 1 39 PRO HB2 1 40 LEU H . . 3.820 3.731 3.575 3.816 . 0 0 "[ . 1 . 2]" 1
493 1 39 PRO HB2 1 41 ALA MB . . 4.490 3.952 3.865 4.043 . 0 0 "[ . 1 . 2]" 1
494 1 39 PRO HB2 1 62 LEU MD2 . . 3.480 2.854 2.641 3.088 . 0 0 "[ . 1 . 2]" 1
495 1 39 PRO HB3 1 40 LEU H . . 4.360 4.139 4.030 4.199 . 0 0 "[ . 1 . 2]" 1
496 1 39 PRO HB3 1 41 ALA MB . . 5.500 5.469 5.390 5.505 0.005 4 0 "[ . 1 . 2]" 1
497 1 39 PRO HB3 1 62 LEU MD2 . . 4.170 4.056 3.844 4.159 . 0 0 "[ . 1 . 2]" 1
498 1 39 PRO QD 1 40 LEU H . . 4.960 4.911 4.879 4.961 0.001 14 0 "[ . 1 . 2]" 1
499 1 39 PRO QD 1 62 LEU MD2 . . 5.350 4.964 4.682 5.196 . 0 0 "[ . 1 . 2]" 1
500 1 39 PRO QG 1 62 LEU MD2 . . 3.840 3.308 3.000 3.569 . 0 0 "[ . 1 . 2]" 1
501 1 40 LEU H 1 40 LEU HB2 . . 3.160 2.236 2.208 2.277 . 0 0 "[ . 1 . 2]" 1
502 1 40 LEU H 1 40 LEU HB3 . . 3.560 3.524 3.510 3.543 . 0 0 "[ . 1 . 2]" 1
503 1 40 LEU H 1 40 LEU MD1 . . 4.090 3.585 3.373 3.742 . 0 0 "[ . 1 . 2]" 1
504 1 40 LEU H 1 40 LEU MD2 . . 4.160 3.875 3.753 4.035 . 0 0 "[ . 1 . 2]" 1
505 1 40 LEU H 1 40 LEU HG . . 4.230 2.781 2.678 2.877 . 0 0 "[ . 1 . 2]" 1
506 1 40 LEU H 1 41 ALA H . . 4.830 4.562 4.525 4.613 . 0 0 "[ . 1 . 2]" 1
507 1 40 LEU H 1 63 VAL MG2 . . 5.500 5.079 4.794 5.461 . 0 0 "[ . 1 . 2]" 1
508 1 40 LEU HB2 1 40 LEU MD1 . . 3.410 2.220 2.061 2.355 . 0 0 "[ . 1 . 2]" 1
509 1 40 LEU HB2 1 41 ALA H . . 4.390 4.339 4.220 4.393 0.003 16 0 "[ . 1 . 2]" 1
510 1 40 LEU HB3 1 41 ALA H . . 4.320 3.285 3.059 3.406 . 0 0 "[ . 1 . 2]" 1
511 1 40 LEU HB3 1 41 ALA HA . . 4.710 4.111 4.015 4.210 . 0 0 "[ . 1 . 2]" 1
512 1 40 LEU MD1 1 76 HIS H . . 4.760 4.298 3.477 4.697 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU MD1 1 76 HIS HA . . 3.500 2.843 2.076 3.377 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU MD1 1 76 HIS HB2 . . 5.280 4.220 3.164 4.674 . 0 0 "[ . 1 . 2]" 1
515 1 40 LEU MD1 1 79 ALA H . . 4.700 4.201 3.632 4.471 . 0 0 "[ . 1 . 2]" 1
516 1 40 LEU MD2 1 41 ALA H . . 3.570 2.937 2.751 3.135 . 0 0 "[ . 1 . 2]" 1
517 1 40 LEU MD2 1 76 HIS HA . . 3.900 2.740 2.093 3.018 . 0 0 "[ . 1 . 2]" 1
518 1 40 LEU MD2 1 76 HIS HB2 . . 4.320 3.023 2.452 3.462 . 0 0 "[ . 1 . 2]" 1
519 1 40 LEU MD2 1 76 HIS HB3 . . 4.780 4.412 3.762 4.770 . 0 0 "[ . 1 . 2]" 1
520 1 40 LEU MD2 1 76 HIS HD2 . . 4.240 2.728 1.989 3.921 . 0 0 "[ . 1 . 2]" 1
521 1 40 LEU HG 1 41 ALA H . . 4.820 4.674 4.507 4.816 . 0 0 "[ . 1 . 2]" 1
522 1 41 ALA H 1 41 ALA MB . . 3.190 2.728 2.636 2.842 . 0 0 "[ . 1 . 2]" 1
523 1 41 ALA H 1 42 VAL H . . 4.930 4.269 4.143 4.346 . 0 0 "[ . 1 . 2]" 1
524 1 41 ALA H 1 63 VAL MG2 . . 4.870 3.933 3.524 4.330 . 0 0 "[ . 1 . 2]" 1
525 1 41 ALA HA 1 42 VAL H . . 3.090 2.217 2.165 2.279 . 0 0 "[ . 1 . 2]" 1
526 1 41 ALA HA 1 42 VAL HB . . 4.910 4.737 4.632 4.850 . 0 0 "[ . 1 . 2]" 1
527 1 41 ALA HA 1 42 VAL MG2 . . 4.100 3.821 3.624 3.912 . 0 0 "[ . 1 . 2]" 1
528 1 41 ALA HA 1 62 LEU MD2 . . 4.210 4.060 3.600 4.205 . 0 0 "[ . 1 . 2]" 1
529 1 41 ALA HA 1 63 VAL H . . 3.500 3.243 2.975 3.483 . 0 0 "[ . 1 . 2]" 1
530 1 41 ALA HA 1 63 VAL HB . . 5.100 4.612 4.285 4.914 . 0 0 "[ . 1 . 2]" 1
531 1 41 ALA HA 1 63 VAL MG2 . . 3.610 2.580 2.133 2.964 . 0 0 "[ . 1 . 2]" 1
532 1 41 ALA MB 1 42 VAL H . . 3.120 2.861 2.695 3.081 . 0 0 "[ . 1 . 2]" 1
533 1 41 ALA MB 1 42 VAL HA . . 4.690 4.539 4.463 4.626 . 0 0 "[ . 1 . 2]" 1
534 1 41 ALA MB 1 42 VAL HB . . 4.930 4.249 4.111 4.345 . 0 0 "[ . 1 . 2]" 1
535 1 41 ALA MB 1 43 ARG HA . . 5.210 4.926 4.773 5.060 . 0 0 "[ . 1 . 2]" 1
536 1 41 ALA MB 1 60 GLY H . . 4.560 3.344 2.954 3.651 . 0 0 "[ . 1 . 2]" 1
537 1 41 ALA MB 1 60 GLY HA2 . . 3.890 3.012 2.623 3.409 . 0 0 "[ . 1 . 2]" 1
538 1 41 ALA MB 1 60 GLY HA3 . . 5.500 4.262 3.949 4.741 . 0 0 "[ . 1 . 2]" 1
539 1 41 ALA MB 1 63 VAL H . . 4.360 3.822 3.427 4.141 . 0 0 "[ . 1 . 2]" 1
540 1 42 VAL H 1 42 VAL HB . . 3.280 2.595 2.518 2.677 . 0 0 "[ . 1 . 2]" 1
541 1 42 VAL H 1 42 VAL MG1 . . 4.150 3.772 3.762 3.788 . 0 0 "[ . 1 . 2]" 1
542 1 42 VAL H 1 42 VAL MG2 . . 3.060 2.181 1.892 2.341 . 0 0 "[ . 1 . 2]" 1
543 1 42 VAL H 1 61 ASP H . . 4.320 3.825 3.239 4.319 . 0 0 "[ . 1 . 2]" 1
544 1 42 VAL H 1 61 ASP HB2 . . 4.830 3.587 3.154 4.832 0.002 5 0 "[ . 1 . 2]" 1
545 1 42 VAL H 1 61 ASP QB . . 4.210 3.353 3.077 4.067 . 0 0 "[ . 1 . 2]" 1
546 1 42 VAL H 1 61 ASP HB3 . . 4.830 4.276 4.027 4.620 . 0 0 "[ . 1 . 2]" 1
547 1 42 VAL H 1 63 VAL H . . 5.230 4.977 4.705 5.230 . 0 0 "[ . 1 . 2]" 1
548 1 42 VAL H 1 63 VAL MG2 . . 3.880 3.378 3.146 3.628 . 0 0 "[ . 1 . 2]" 1
549 1 42 VAL HA 1 42 VAL MG1 . . 3.250 2.401 2.307 2.475 . 0 0 "[ . 1 . 2]" 1
550 1 42 VAL HA 1 42 VAL MG2 . . 3.270 2.282 2.211 2.433 . 0 0 "[ . 1 . 2]" 1
551 1 42 VAL HA 1 43 ARG H . . 3.010 2.166 2.141 2.212 . 0 0 "[ . 1 . 2]" 1
552 1 42 VAL HA 1 43 ARG HB2 . . 5.500 4.410 4.189 4.776 . 0 0 "[ . 1 . 2]" 1
553 1 42 VAL HA 1 43 ARG QB . . 4.730 4.025 3.961 4.081 . 0 0 "[ . 1 . 2]" 1
554 1 42 VAL HA 1 43 ARG HB3 . . 5.500 4.706 4.341 4.903 . 0 0 "[ . 1 . 2]" 1
555 1 42 VAL HA 1 44 GLY H . . 4.750 4.629 4.521 4.701 . 0 0 "[ . 1 . 2]" 1
556 1 42 VAL HA 1 63 VAL MG2 . . 4.600 4.520 4.385 4.598 . 0 0 "[ . 1 . 2]" 1
557 1 42 VAL HB 1 59 VAL HA . . 3.870 2.419 2.001 3.030 . 0 0 "[ . 1 . 2]" 1
558 1 42 VAL HB 1 60 GLY H . . 3.690 2.550 2.285 2.958 . 0 0 "[ . 1 . 2]" 1
559 1 42 VAL HB 1 61 ASP H . . 3.600 3.031 2.612 3.245 . 0 0 "[ . 1 . 2]" 1
560 1 42 VAL HB 1 61 ASP QB . . 3.920 3.113 2.663 3.881 . 0 0 "[ . 1 . 2]" 1
561 1 42 VAL HB 1 63 VAL MG2 . . 5.490 5.254 5.015 5.395 . 0 0 "[ . 1 . 2]" 1
562 1 42 VAL MG1 1 43 ARG H . . 3.490 2.302 1.965 2.618 . 0 0 "[ . 1 . 2]" 1
563 1 42 VAL MG1 1 43 ARG HA . . 4.440 3.745 3.472 3.940 . 0 0 "[ . 1 . 2]" 1
564 1 42 VAL MG1 1 43 ARG QB . . 5.070 3.968 3.857 4.079 . 0 0 "[ . 1 . 2]" 1
565 1 42 VAL MG1 1 44 GLY H . . 3.400 3.370 3.288 3.401 0.001 4 0 "[ . 1 . 2]" 1
566 1 42 VAL MG1 1 44 GLY HA2 . . 4.490 4.078 3.997 4.155 . 0 0 "[ . 1 . 2]" 1
567 1 42 VAL MG1 1 58 GLU H . . 4.650 4.187 3.722 4.575 . 0 0 "[ . 1 . 2]" 1
568 1 42 VAL MG1 1 59 VAL HA . . 3.180 2.181 1.981 2.449 . 0 0 "[ . 1 . 2]" 1
569 1 42 VAL MG1 1 60 GLY H . . 3.860 3.559 3.377 3.793 . 0 0 "[ . 1 . 2]" 1
570 1 42 VAL MG1 1 61 ASP H . . 4.510 4.347 3.908 4.480 . 0 0 "[ . 1 . 2]" 1
571 1 42 VAL MG2 1 43 ARG H . . 4.200 3.940 3.849 4.004 . 0 0 "[ . 1 . 2]" 1
572 1 42 VAL MG2 1 61 ASP H . . 3.880 3.611 3.325 3.849 . 0 0 "[ . 1 . 2]" 1
573 1 42 VAL MG2 1 61 ASP HB2 . . 3.930 2.462 1.986 3.929 . 0 0 "[ . 1 . 2]" 1
574 1 42 VAL MG2 1 61 ASP QB . . 3.210 2.292 1.967 3.037 . 0 0 "[ . 1 . 2]" 1
575 1 42 VAL MG2 1 61 ASP HB3 . . 3.930 3.257 2.934 3.646 . 0 0 "[ . 1 . 2]" 1
576 1 43 ARG H 1 43 ARG HB2 . . 3.890 2.771 2.489 3.130 . 0 0 "[ . 1 . 2]" 1
577 1 43 ARG H 1 43 ARG QB . . 3.310 2.375 2.275 2.477 . 0 0 "[ . 1 . 2]" 1
578 1 43 ARG H 1 43 ARG HB3 . . 3.890 2.629 2.337 2.835 . 0 0 "[ . 1 . 2]" 1
579 1 43 ARG H 1 43 ARG HG2 . . 4.850 4.560 4.405 4.767 . 0 0 "[ . 1 . 2]" 1
580 1 43 ARG H 1 43 ARG HG3 . . 4.850 4.633 4.135 4.842 . 0 0 "[ . 1 . 2]" 1
581 1 43 ARG H 1 44 GLY H . . 3.050 2.604 2.464 2.735 . 0 0 "[ . 1 . 2]" 1
582 1 43 ARG HA 1 43 ARG QD . . 3.650 2.926 1.970 3.639 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG HA 1 43 ARG HG2 . . 4.150 2.650 2.228 3.815 . 0 0 "[ . 1 . 2]" 1
584 1 43 ARG HA 1 43 ARG QG . . 3.560 2.503 2.205 3.238 . 0 0 "[ . 1 . 2]" 1
585 1 43 ARG HA 1 43 ARG HG3 . . 4.150 3.536 3.481 3.656 . 0 0 "[ . 1 . 2]" 1
586 1 43 ARG HA 1 59 VAL QG . . 3.260 2.773 2.541 3.176 . 0 0 "[ . 1 . 2]" 1
587 1 43 ARG HB2 1 44 GLY H . . 4.120 3.455 3.305 3.700 . 0 0 "[ . 1 . 2]" 1
588 1 43 ARG HB3 1 44 GLY H . . 4.120 1.983 1.903 2.246 . 0 0 "[ . 1 . 2]" 1
589 1 43 ARG QD 1 44 GLY HA3 . . 4.310 3.207 2.591 4.154 . 0 0 "[ . 1 . 2]" 1
590 1 43 ARG QG 1 44 GLY HA3 . . 5.070 4.477 2.971 5.057 . 0 0 "[ . 1 . 2]" 1
591 1 44 GLY H 1 45 LEU H . . 4.750 4.503 4.473 4.518 . 0 0 "[ . 1 . 2]" 1
592 1 44 GLY H 1 59 VAL QG . . 4.620 4.055 3.839 4.243 . 0 0 "[ . 1 . 2]" 1
593 1 44 GLY HA2 1 45 LEU H . . 3.080 2.283 2.200 2.324 . 0 0 "[ . 1 . 2]" 1
594 1 44 GLY HA2 1 59 VAL QG . . 3.070 2.892 2.770 2.971 . 0 0 "[ . 1 . 2]" 1
595 1 44 GLY HA3 1 45 LEU H . . 3.310 2.896 2.835 3.033 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLY HA3 1 59 VAL QG . . 4.240 4.206 4.113 4.240 0.000 7 0 "[ . 1 . 2]" 1
597 1 45 LEU H 1 45 LEU HB2 . . 3.550 2.440 2.363 2.523 . 0 0 "[ . 1 . 2]" 1
598 1 45 LEU H 1 45 LEU HB3 . . 4.100 3.610 3.554 3.676 . 0 0 "[ . 1 . 2]" 1
599 1 45 LEU H 1 45 LEU MD1 . . 4.330 4.078 3.884 4.254 . 0 0 "[ . 1 . 2]" 1
600 1 45 LEU H 1 45 LEU HG . . 3.940 3.509 3.316 3.703 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU H 1 46 LEU H . . 5.070 4.105 3.974 4.323 . 0 0 "[ . 1 . 2]" 1
602 1 45 LEU H 1 52 GLN HB2 . . 5.500 5.476 5.408 5.499 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU H 1 59 VAL QG . . 3.820 3.629 3.439 3.812 . 0 0 "[ . 1 . 2]" 1
604 1 45 LEU HA 1 46 LEU H . . 3.060 2.163 2.141 2.175 . 0 0 "[ . 1 . 2]" 1
605 1 45 LEU HB2 1 45 LEU MD1 . . 3.600 2.249 2.088 2.363 . 0 0 "[ . 1 . 2]" 1
606 1 45 LEU HB2 1 46 LEU H . . 4.740 4.520 4.436 4.559 . 0 0 "[ . 1 . 2]" 1
607 1 45 LEU HB2 1 52 GLN HB2 . . 4.340 3.686 3.435 3.804 . 0 0 "[ . 1 . 2]" 1
608 1 45 LEU HB2 1 52 GLN QG . . 4.760 4.226 3.290 4.478 . 0 0 "[ . 1 . 2]" 1
609 1 45 LEU HB3 1 45 LEU MD1 . . 3.220 2.433 2.337 2.613 . 0 0 "[ . 1 . 2]" 1
610 1 45 LEU HB3 1 46 LEU H . . 4.410 3.754 3.482 3.833 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU HB3 1 52 GLN H . . 4.560 4.200 3.458 4.560 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU HB3 1 52 GLN HA . . 4.300 3.350 3.089 3.618 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU HB3 1 52 GLN HB2 . . 3.800 2.036 2.001 2.143 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HB3 1 52 GLN HB3 . . 4.440 3.766 3.686 3.886 . 0 0 "[ . 1 . 2]" 1
615 1 45 LEU HB3 1 52 GLN HG2 . . 4.800 3.736 3.209 4.539 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU HB3 1 52 GLN QG . . 4.130 3.322 2.759 3.790 . 0 0 "[ . 1 . 2]" 1
617 1 45 LEU HB3 1 52 GLN HG3 . . 4.800 4.095 2.800 4.790 . 0 0 "[ . 1 . 2]" 1
618 1 45 LEU MD1 1 52 GLN H . . 5.500 4.630 3.942 5.144 . 0 0 "[ . 1 . 2]" 1
619 1 45 LEU MD1 1 52 GLN HA . . 3.530 2.679 2.042 3.122 . 0 0 "[ . 1 . 2]" 1
620 1 45 LEU MD1 1 52 GLN HB2 . . 4.020 3.322 2.819 3.639 . 0 0 "[ . 1 . 2]" 1
621 1 45 LEU MD1 1 52 GLN HB3 . . 4.880 4.613 4.125 4.878 . 0 0 "[ . 1 . 2]" 1
622 1 45 LEU MD1 1 52 GLN QE . . 5.010 2.839 1.938 4.794 . 0 0 "[ . 1 . 2]" 1
623 1 45 LEU MD1 1 52 GLN HG2 . . 4.540 4.138 3.259 4.509 . 0 0 "[ . 1 . 2]" 1
624 1 45 LEU MD1 1 52 GLN HG3 . . 4.540 4.080 2.711 4.534 . 0 0 "[ . 1 . 2]" 1
625 1 45 LEU MD1 1 57 LEU H . . 4.870 4.652 4.289 4.805 . 0 0 "[ . 1 . 2]" 1
626 1 45 LEU MD1 1 58 GLU H . . 4.920 4.254 3.781 4.793 . 0 0 "[ . 1 . 2]" 1
627 1 45 LEU MD1 1 58 GLU HA . . 3.530 2.186 1.886 2.826 . 0 0 "[ . 1 . 2]" 1
628 1 45 LEU MD1 1 58 GLU QG . . 4.690 3.403 2.714 4.457 . 0 0 "[ . 1 . 2]" 1
629 1 45 LEU MD1 1 59 VAL H . . 3.750 2.777 2.276 3.378 . 0 0 "[ . 1 . 2]" 1
630 1 45 LEU MD1 1 59 VAL HA . . 4.730 4.286 3.864 4.616 . 0 0 "[ . 1 . 2]" 1
631 1 45 LEU HG 1 46 LEU H . . 5.110 4.877 4.735 4.993 . 0 0 "[ . 1 . 2]" 1
632 1 46 LEU H 1 46 LEU HB2 . . 3.310 2.187 2.149 2.259 . 0 0 "[ . 1 . 2]" 1
633 1 46 LEU H 1 46 LEU HB3 . . 3.310 2.903 2.810 2.996 . 0 0 "[ . 1 . 2]" 1
634 1 46 LEU H 1 46 LEU MD1 . . 4.830 3.912 3.398 4.321 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU H 1 46 LEU QD . . 4.200 3.472 3.274 3.695 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU H 1 46 LEU MD2 . . 4.830 4.062 3.497 4.369 . 0 0 "[ . 1 . 2]" 1
637 1 46 LEU H 1 52 GLN H . . 5.500 5.196 4.506 5.492 . 0 0 "[ . 1 . 2]" 1
638 1 46 LEU HA 1 46 LEU MD1 . . 4.020 2.662 2.046 3.662 . 0 0 "[ . 1 . 2]" 1
639 1 46 LEU HA 1 46 LEU QD . . 3.220 2.283 1.906 2.873 . 0 0 "[ . 1 . 2]" 1
640 1 46 LEU HA 1 46 LEU MD2 . . 4.020 3.075 1.942 3.859 . 0 0 "[ . 1 . 2]" 1
641 1 46 LEU HA 1 47 LYS H . . 3.390 2.156 2.139 2.238 . 0 0 "[ . 1 . 2]" 1
642 1 46 LEU HA 1 47 LYS HB2 . . 4.840 4.514 4.338 4.833 . 0 0 "[ . 1 . 2]" 1
643 1 46 LEU HA 1 47 LYS HB3 . . 4.840 4.668 4.358 4.881 0.041 18 0 "[ . 1 . 2]" 1
644 1 46 LEU QB 1 46 LEU QD . . 2.790 1.910 1.777 2.042 . 0 0 "[ . 1 . 2]" 1
645 1 46 LEU QB 1 49 GLY H . . 4.550 4.216 3.757 4.555 0.005 18 0 "[ . 1 . 2]" 1
646 1 46 LEU QB 1 49 GLY QA . . 4.350 2.881 2.392 3.401 . 0 0 "[ . 1 . 2]" 1
647 1 46 LEU QD 1 47 LYS H . . 4.380 2.993 2.333 3.622 . 0 0 "[ . 1 . 2]" 1
648 1 46 LEU QD 1 49 GLY H . . 4.840 4.204 3.594 4.740 . 0 0 "[ . 1 . 2]" 1
649 1 46 LEU QD 1 49 GLY QA . . 4.250 3.077 2.637 3.470 . 0 0 "[ . 1 . 2]" 1
650 1 47 LYS H 1 47 LYS HB2 . . 3.930 2.455 2.219 2.952 . 0 0 "[ . 1 . 2]" 1
651 1 47 LYS H 1 47 LYS HB3 . . 3.930 2.629 2.211 2.929 . 0 0 "[ . 1 . 2]" 1
652 1 47 LYS H 1 47 LYS QG . . 4.550 3.943 3.814 4.063 . 0 0 "[ . 1 . 2]" 1
653 1 47 LYS HA 1 47 LYS HD2 . . 4.850 3.608 2.082 4.542 . 0 0 "[ . 1 . 2]" 1
654 1 47 LYS HA 1 47 LYS QD . . 3.990 2.631 1.979 3.386 . 0 0 "[ . 1 . 2]" 1
655 1 47 LYS HA 1 47 LYS HD3 . . 4.850 3.039 1.988 4.274 . 0 0 "[ . 1 . 2]" 1
656 1 47 LYS HA 1 47 LYS QE . . 4.950 3.478 2.049 4.269 . 0 0 "[ . 1 . 2]" 1
657 1 47 LYS HA 1 47 LYS HG2 . . 4.170 3.115 2.219 3.932 . 0 0 "[ . 1 . 2]" 1
658 1 47 LYS HA 1 47 LYS QG . . 3.420 2.668 2.196 3.184 . 0 0 "[ . 1 . 2]" 1
659 1 47 LYS HA 1 47 LYS HG3 . . 4.170 3.324 3.035 3.573 . 0 0 "[ . 1 . 2]" 1
660 1 47 LYS HA 1 48 ASP H . . 2.960 2.248 2.156 2.386 . 0 0 "[ . 1 . 2]" 1
661 1 47 LYS HA 1 48 ASP HA . . 4.450 4.414 4.368 4.497 0.047 10 0 "[ . 1 . 2]" 1
662 1 47 LYS HA 1 48 ASP QB . . 4.700 4.370 4.147 4.646 . 0 0 "[ . 1 . 2]" 1
663 1 47 LYS HA 1 49 GLY H . . 3.810 3.546 3.207 3.809 . 0 0 "[ . 1 . 2]" 1
664 1 47 LYS HA 1 52 GLN HB3 . . 4.810 3.917 3.048 4.497 . 0 0 "[ . 1 . 2]" 1
665 1 47 LYS HA 1 52 GLN HG2 . . 5.080 3.457 2.153 5.069 . 0 0 "[ . 1 . 2]" 1
666 1 47 LYS HA 1 52 GLN QG . . 4.300 3.130 2.138 4.262 . 0 0 "[ . 1 . 2]" 1
667 1 47 LYS HA 1 52 GLN HG3 . . 5.080 4.324 2.198 5.052 . 0 0 "[ . 1 . 2]" 1
668 1 47 LYS QB 1 47 LYS QE . . 3.700 2.917 1.903 3.737 0.037 3 0 "[ . 1 . 2]" 1
669 1 47 LYS QB 1 48 ASP H . . 4.140 3.520 3.318 3.738 . 0 0 "[ . 1 . 2]" 1
670 1 47 LYS QB 1 48 ASP QB . . 5.130 3.790 3.372 4.175 . 0 0 "[ . 1 . 2]" 1
671 1 47 LYS HB2 1 48 ASP H . . 4.740 4.060 3.760 4.322 . 0 0 "[ . 1 . 2]" 1
672 1 47 LYS HB3 1 48 ASP H . . 4.740 3.882 3.621 4.326 . 0 0 "[ . 1 . 2]" 1
673 1 47 LYS QD 1 48 ASP H . . 4.610 2.236 1.850 3.034 . 0 0 "[ . 1 . 2]" 1
674 1 47 LYS QD 1 48 ASP HA . . 4.070 3.683 3.125 4.069 . 0 0 "[ . 1 . 2]" 1
675 1 47 LYS QD 1 48 ASP QB . . 5.340 2.990 1.959 4.268 . 0 0 "[ . 1 . 2]" 1
676 1 47 LYS QE 1 49 GLY H . . 5.500 5.342 5.033 5.521 0.021 18 0 "[ . 1 . 2]" 1
677 1 47 LYS QG 1 48 ASP QB . . 4.900 3.121 2.269 4.230 . 0 0 "[ . 1 . 2]" 1
678 1 47 LYS QG 1 49 GLY H . . 5.340 4.859 4.362 5.323 . 0 0 "[ . 1 . 2]" 1
679 1 47 LYS HG2 1 48 ASP H . . 4.500 3.377 2.587 4.448 . 0 0 "[ . 1 . 2]" 1
680 1 47 LYS HG3 1 48 ASP H . . 4.500 3.281 2.041 4.461 . 0 0 "[ . 1 . 2]" 1
681 1 48 ASP H 1 49 GLY H . . 3.530 2.754 2.469 3.012 . 0 0 "[ . 1 . 2]" 1
682 1 48 ASP H 1 52 GLN HB3 . . 4.680 3.901 3.462 4.259 . 0 0 "[ . 1 . 2]" 1
683 1 48 ASP H 1 52 GLN HG2 . . 5.130 3.799 3.132 5.091 . 0 0 "[ . 1 . 2]" 1
684 1 48 ASP H 1 52 GLN QG . . 4.520 3.496 3.029 4.520 0.000 13 0 "[ . 1 . 2]" 1
685 1 48 ASP H 1 52 GLN HG3 . . 5.130 4.356 3.566 5.059 . 0 0 "[ . 1 . 2]" 1
686 1 48 ASP HA 1 53 ARG QD . . 4.010 3.552 2.909 3.927 . 0 0 "[ . 1 . 2]" 1
687 1 48 ASP HA 1 53 ARG HG2 . . 4.580 4.079 3.528 4.507 . 0 0 "[ . 1 . 2]" 1
688 1 48 ASP HA 1 53 ARG QG . . 3.980 3.094 2.748 3.490 . 0 0 "[ . 1 . 2]" 1
689 1 48 ASP HA 1 53 ARG HG3 . . 4.580 3.208 2.838 3.640 . 0 0 "[ . 1 . 2]" 1
690 1 48 ASP QB 1 49 GLY H . . 4.460 3.909 3.741 4.066 . 0 0 "[ . 1 . 2]" 1
691 1 49 GLY H 1 50 PRO HD2 . . 5.050 4.657 4.561 4.739 . 0 0 "[ . 1 . 2]" 1
692 1 49 GLY H 1 52 GLN H . . 4.580 3.900 3.720 4.272 . 0 0 "[ . 1 . 2]" 1
693 1 49 GLY H 1 52 GLN HB2 . . 4.250 3.882 3.535 4.176 . 0 0 "[ . 1 . 2]" 1
694 1 49 GLY H 1 52 GLN HB3 . . 3.880 2.497 2.195 2.811 . 0 0 "[ . 1 . 2]" 1
695 1 49 GLY H 1 52 GLN QG . . 4.820 3.729 3.273 4.751 . 0 0 "[ . 1 . 2]" 1
696 1 49 GLY H 1 53 ARG H . . 4.800 3.734 3.495 4.038 . 0 0 "[ . 1 . 2]" 1
697 1 49 GLY QA 1 50 PRO HD3 . . 3.250 2.379 2.316 2.429 . 0 0 "[ . 1 . 2]" 1
698 1 49 GLY QA 1 50 PRO QG . . 4.180 3.698 3.695 3.700 . 0 0 "[ . 1 . 2]" 1
699 1 49 GLY QA 1 51 ALA H . . 4.830 3.369 3.111 3.700 . 0 0 "[ . 1 . 2]" 1
700 1 49 GLY HA2 1 50 PRO HD3 . . 3.810 2.449 2.358 2.531 . 0 0 "[ . 1 . 2]" 1
701 1 49 GLY HA2 1 50 PRO HG2 . . 5.500 4.741 4.618 4.839 . 0 0 "[ . 1 . 2]" 1
702 1 49 GLY HA2 1 50 PRO HG3 . . 5.500 4.663 4.555 4.754 . 0 0 "[ . 1 . 2]" 1
703 1 49 GLY HA3 1 50 PRO HD3 . . 3.810 3.242 3.132 3.380 . 0 0 "[ . 1 . 2]" 1
704 1 49 GLY HA3 1 50 PRO HG2 . . 5.500 4.406 4.330 4.513 . 0 0 "[ . 1 . 2]" 1
705 1 49 GLY HA3 1 50 PRO HG3 . . 5.500 4.952 4.849 5.086 . 0 0 "[ . 1 . 2]" 1
706 1 50 PRO HA 1 53 ARG H . . 4.140 3.822 3.487 4.098 . 0 0 "[ . 1 . 2]" 1
707 1 50 PRO HA 1 53 ARG HB2 . . 3.570 2.797 2.448 3.054 . 0 0 "[ . 1 . 2]" 1
708 1 50 PRO HA 1 53 ARG HB3 . . 4.550 4.273 3.913 4.549 . 0 0 "[ . 1 . 2]" 1
709 1 50 PRO HA 1 53 ARG QD . . 4.590 3.352 2.927 4.104 . 0 0 "[ . 1 . 2]" 1
710 1 50 PRO HA 1 53 ARG QG . . 4.850 4.301 4.030 4.629 . 0 0 "[ . 1 . 2]" 1
711 1 50 PRO HA 1 54 CYS H . . 4.580 3.921 3.394 4.376 . 0 0 "[ . 1 . 2]" 1
712 1 50 PRO HB2 1 51 ALA H . . 3.710 3.259 2.921 3.541 . 0 0 "[ . 1 . 2]" 1
713 1 50 PRO HB2 1 51 ALA HA . . 4.800 4.081 3.967 4.210 . 0 0 "[ . 1 . 2]" 1
714 1 50 PRO HB2 1 51 ALA MB . . 4.580 4.227 4.037 4.414 . 0 0 "[ . 1 . 2]" 1
715 1 50 PRO HB3 1 51 ALA H . . 4.370 4.098 3.902 4.261 . 0 0 "[ . 1 . 2]" 1
716 1 50 PRO HB3 1 53 ARG HB2 . . 5.400 5.077 4.725 5.336 . 0 0 "[ . 1 . 2]" 1
717 1 50 PRO HD2 1 51 ALA H . . 3.960 2.671 2.647 2.744 . 0 0 "[ . 1 . 2]" 1
718 1 50 PRO HD2 1 51 ALA MB . . 4.840 3.944 3.827 4.039 . 0 0 "[ . 1 . 2]" 1
719 1 50 PRO HD3 1 51 ALA H . . 4.120 3.846 3.836 3.870 . 0 0 "[ . 1 . 2]" 1
720 1 50 PRO QG 1 51 ALA H . . 4.070 2.276 1.929 2.615 . 0 0 "[ . 1 . 2]" 1
721 1 50 PRO HG2 1 51 ALA H . . 4.770 2.294 1.937 2.646 . 0 0 "[ . 1 . 2]" 1
722 1 50 PRO HG3 1 51 ALA H . . 4.770 3.825 3.558 4.087 . 0 0 "[ . 1 . 2]" 1
723 1 51 ALA H 1 51 ALA MB . . 2.980 2.190 2.038 2.292 . 0 0 "[ . 1 . 2]" 1
724 1 51 ALA H 1 52 GLN H . . 3.610 2.559 2.327 2.834 . 0 0 "[ . 1 . 2]" 1
725 1 51 ALA H 1 53 ARG H . . 4.600 3.985 3.688 4.255 . 0 0 "[ . 1 . 2]" 1
726 1 51 ALA HA 1 54 CYS H . . 4.210 3.778 3.222 4.168 . 0 0 "[ . 1 . 2]" 1
727 1 51 ALA HA 1 54 CYS QB . . 4.860 3.236 2.492 4.050 . 0 0 "[ . 1 . 2]" 1
728 1 51 ALA MB 1 52 GLN H . . 3.660 2.536 2.108 2.869 . 0 0 "[ . 1 . 2]" 1
729 1 51 ALA MB 1 52 GLN HA . . 4.660 3.791 3.636 3.940 . 0 0 "[ . 1 . 2]" 1
730 1 51 ALA MB 1 52 GLN HB2 . . 4.500 4.006 3.848 4.128 . 0 0 "[ . 1 . 2]" 1
731 1 51 ALA MB 1 53 ARG H . . 4.940 4.525 4.234 4.738 . 0 0 "[ . 1 . 2]" 1
732 1 51 ALA MB 1 54 CYS QB . . 5.440 4.492 3.768 5.210 . 0 0 "[ . 1 . 2]" 1
733 1 52 GLN H 1 52 GLN HB2 . . 3.490 2.694 2.380 2.914 . 0 0 "[ . 1 . 2]" 1
734 1 52 GLN H 1 52 GLN HB3 . . 3.480 2.420 2.277 2.679 . 0 0 "[ . 1 . 2]" 1
735 1 52 GLN H 1 52 GLN QG . . 4.560 3.988 3.925 4.074 . 0 0 "[ . 1 . 2]" 1
736 1 52 GLN H 1 53 ARG H . . 3.430 2.578 2.320 2.887 . 0 0 "[ . 1 . 2]" 1
737 1 52 GLN H 1 54 CYS H . . 4.980 4.152 3.987 4.411 . 0 0 "[ . 1 . 2]" 1
738 1 52 GLN HA 1 52 GLN QE . . 4.750 3.530 1.894 4.754 0.004 13 0 "[ . 1 . 2]" 1
739 1 52 GLN HA 1 52 GLN HG2 . . 3.870 3.550 2.658 3.859 . 0 0 "[ . 1 . 2]" 1
740 1 52 GLN HA 1 52 GLN HG3 . . 3.870 3.142 2.630 3.745 . 0 0 "[ . 1 . 2]" 1
741 1 52 GLN HB2 1 53 ARG H . . 4.720 3.950 3.740 4.158 . 0 0 "[ . 1 . 2]" 1
742 1 52 GLN HB3 1 53 ARG H . . 3.590 2.648 2.396 3.006 . 0 0 "[ . 1 . 2]" 1
743 1 52 GLN QG 1 53 ARG HA . . 4.380 3.541 3.225 4.203 . 0 0 "[ . 1 . 2]" 1
744 1 52 GLN HG2 1 53 ARG H . . 4.930 4.366 3.287 4.889 . 0 0 "[ . 1 . 2]" 1
745 1 52 GLN HG3 1 53 ARG H . . 4.930 3.935 3.296 4.930 . 0 0 "[ . 1 . 2]" 1
746 1 53 ARG H 1 53 ARG HB2 . . 3.090 2.273 2.208 2.391 . 0 0 "[ . 1 . 2]" 1
747 1 53 ARG H 1 53 ARG HB3 . . 3.690 3.538 3.507 3.574 . 0 0 "[ . 1 . 2]" 1
748 1 53 ARG H 1 53 ARG QD . . 4.540 3.849 3.451 4.348 . 0 0 "[ . 1 . 2]" 1
749 1 53 ARG H 1 53 ARG HG2 . . 4.040 3.836 3.594 4.021 . 0 0 "[ . 1 . 2]" 1
750 1 53 ARG H 1 53 ARG QG . . 3.540 2.647 2.347 2.893 . 0 0 "[ . 1 . 2]" 1
751 1 53 ARG H 1 53 ARG HG3 . . 4.040 2.702 2.374 2.977 . 0 0 "[ . 1 . 2]" 1
752 1 53 ARG H 1 54 CYS H . . 3.450 2.689 2.443 2.830 . 0 0 "[ . 1 . 2]" 1
753 1 53 ARG HA 1 53 ARG QD . . 4.300 4.059 3.911 4.128 . 0 0 "[ . 1 . 2]" 1
754 1 53 ARG HA 1 53 ARG HG2 . . 3.740 2.485 2.181 2.715 . 0 0 "[ . 1 . 2]" 1
755 1 53 ARG HA 1 53 ARG QG . . 3.150 2.307 2.140 2.397 . 0 0 "[ . 1 . 2]" 1
756 1 53 ARG HA 1 53 ARG HG3 . . 3.740 2.816 2.564 3.104 . 0 0 "[ . 1 . 2]" 1
757 1 53 ARG HA 1 55 GLY H . . 5.020 4.186 3.983 4.301 . 0 0 "[ . 1 . 2]" 1
758 1 53 ARG HB2 1 53 ARG QD . . 3.700 2.388 2.155 2.714 . 0 0 "[ . 1 . 2]" 1
759 1 53 ARG HB2 1 54 CYS H . . 3.820 2.677 2.538 2.980 . 0 0 "[ . 1 . 2]" 1
760 1 53 ARG HB3 1 54 CYS H . . 4.630 3.333 3.147 3.672 . 0 0 "[ . 1 . 2]" 1
761 1 53 ARG QG 1 54 CYS H . . 4.960 4.272 4.200 4.395 . 0 0 "[ . 1 . 2]" 1
762 1 54 CYS H 1 54 CYS QB . . 3.100 2.278 2.137 2.476 . 0 0 "[ . 1 . 2]" 1
763 1 54 CYS H 1 55 GLY H . . 3.400 2.716 2.602 2.761 . 0 0 "[ . 1 . 2]" 1
764 1 54 CYS QB 1 55 GLY H . . 4.280 3.012 2.644 3.541 . 0 0 "[ . 1 . 2]" 1
765 1 54 CYS QB 1 56 ARG H . . 4.230 2.978 2.241 4.120 . 0 0 "[ . 1 . 2]" 1
766 1 54 CYS QB 1 56 ARG QB . . 4.470 3.122 2.543 3.847 . 0 0 "[ . 1 . 2]" 1
767 1 54 CYS QB 1 56 ARG QG . . 5.160 3.244 2.043 4.854 . 0 0 "[ . 1 . 2]" 1
768 1 55 GLY H 1 56 ARG H . . 3.480 3.050 2.590 3.307 . 0 0 "[ . 1 . 2]" 1
769 1 55 GLY H 1 57 LEU H . . 4.510 3.766 3.516 4.453 . 0 0 "[ . 1 . 2]" 1
770 1 55 GLY QA 1 57 LEU H . . 4.530 3.667 3.457 4.034 . 0 0 "[ . 1 . 2]" 1
771 1 56 ARG H 1 56 ARG HB2 . . 3.860 2.483 2.182 2.711 . 0 0 "[ . 1 . 2]" 1
772 1 56 ARG H 1 56 ARG QB . . 3.190 2.441 2.161 2.656 . 0 0 "[ . 1 . 2]" 1
773 1 56 ARG H 1 56 ARG HB3 . . 3.860 3.617 3.488 3.804 . 0 0 "[ . 1 . 2]" 1
774 1 56 ARG H 1 56 ARG QD . . 4.710 3.693 1.835 4.556 . 0 0 "[ . 1 . 2]" 1
775 1 56 ARG H 1 56 ARG HG2 . . 3.840 3.532 2.818 3.842 0.002 19 0 "[ . 1 . 2]" 1
776 1 56 ARG H 1 56 ARG HG3 . . 3.840 2.713 2.083 3.650 . 0 0 "[ . 1 . 2]" 1
777 1 56 ARG H 1 57 LEU H . . 3.040 2.721 1.950 3.020 . 0 0 "[ . 1 . 2]" 1
778 1 56 ARG HA 1 56 ARG QD . . 4.180 3.828 2.601 4.144 . 0 0 "[ . 1 . 2]" 1
779 1 56 ARG HA 1 56 ARG HG2 . . 4.170 2.652 2.248 3.643 . 0 0 "[ . 1 . 2]" 1
780 1 56 ARG HA 1 56 ARG QG . . 3.420 2.353 2.187 2.469 . 0 0 "[ . 1 . 2]" 1
781 1 56 ARG HA 1 56 ARG HG3 . . 4.170 2.971 2.375 3.616 . 0 0 "[ . 1 . 2]" 1
782 1 56 ARG QB 1 56 ARG QD . . 3.160 2.158 2.047 2.341 . 0 0 "[ . 1 . 2]" 1
783 1 56 ARG HB2 1 56 ARG QD . . 3.740 2.435 2.084 3.321 . 0 0 "[ . 1 . 2]" 1
784 1 56 ARG HB3 1 56 ARG QD . . 3.740 2.593 2.168 3.362 . 0 0 "[ . 1 . 2]" 1
785 1 57 LEU H 1 57 LEU HB2 . . 3.890 2.430 2.277 2.636 . 0 0 "[ . 1 . 2]" 1
786 1 57 LEU H 1 57 LEU QB . . 3.160 2.395 2.250 2.588 . 0 0 "[ . 1 . 2]" 1
787 1 57 LEU H 1 57 LEU HB3 . . 3.890 3.631 3.510 3.768 . 0 0 "[ . 1 . 2]" 1
788 1 57 LEU H 1 57 LEU MD1 . . 4.320 3.849 3.479 4.242 . 0 0 "[ . 1 . 2]" 1
789 1 57 LEU H 1 57 LEU MD2 . . 4.680 3.906 3.482 4.310 . 0 0 "[ . 1 . 2]" 1
790 1 57 LEU H 1 57 LEU HG . . 3.670 2.993 2.331 3.518 . 0 0 "[ . 1 . 2]" 1
791 1 57 LEU H 1 58 GLU H . . 4.710 4.418 4.297 4.513 . 0 0 "[ . 1 . 2]" 1
792 1 57 LEU H 1 58 GLU QG . . 5.000 4.247 3.875 4.983 . 0 0 "[ . 1 . 2]" 1
793 1 57 LEU HA 1 57 LEU MD1 . . 4.640 3.857 3.693 3.943 . 0 0 "[ . 1 . 2]" 1
794 1 57 LEU HA 1 57 LEU MD2 . . 3.200 2.218 1.902 2.444 . 0 0 "[ . 1 . 2]" 1
795 1 57 LEU QB 1 57 LEU MD1 . . 3.070 2.054 1.979 2.100 . 0 0 "[ . 1 . 2]" 1
796 1 57 LEU QB 1 58 GLU H . . 3.820 3.193 2.627 3.461 . 0 0 "[ . 1 . 2]" 1
797 1 57 LEU HB2 1 57 LEU MD1 . . 3.530 2.241 2.057 2.482 . 0 0 "[ . 1 . 2]" 1
798 1 57 LEU HB3 1 57 LEU MD1 . . 3.530 2.430 2.161 2.644 . 0 0 "[ . 1 . 2]" 1
799 1 57 LEU MD2 1 58 GLU H . . 3.950 3.446 3.021 3.921 . 0 0 "[ . 1 . 2]" 1
800 1 57 LEU MD2 1 61 ASP HB2 . . 4.510 3.655 2.737 4.174 . 0 0 "[ . 1 . 2]" 1
801 1 57 LEU MD2 1 61 ASP HB3 . . 4.510 3.704 2.882 4.175 . 0 0 "[ . 1 . 2]" 1
802 1 57 LEU MD2 1 94 ILE MG . . 3.470 3.083 2.238 3.463 . 0 0 "[ . 1 . 2]" 1
803 1 58 GLU H 1 58 GLU HB2 . . 4.140 2.731 2.446 3.816 . 0 0 "[ . 1 . 2]" 1
804 1 58 GLU H 1 58 GLU QB . . 3.430 2.647 2.411 3.139 . 0 0 "[ . 1 . 2]" 1
805 1 58 GLU H 1 58 GLU HB3 . . 4.140 3.752 3.339 3.874 . 0 0 "[ . 1 . 2]" 1
806 1 58 GLU H 1 58 GLU QG . . 4.170 3.173 2.321 3.645 . 0 0 "[ . 1 . 2]" 1
807 1 58 GLU H 1 61 ASP H . . 4.770 4.115 3.706 4.657 . 0 0 "[ . 1 . 2]" 1
808 1 58 GLU H 1 61 ASP QB . . 4.390 3.120 2.576 3.643 . 0 0 "[ . 1 . 2]" 1
809 1 58 GLU HA 1 58 GLU QG . . 3.610 2.456 2.248 3.332 . 0 0 "[ . 1 . 2]" 1
810 1 58 GLU HA 1 59 VAL H . . 2.920 2.326 2.238 2.530 . 0 0 "[ . 1 . 2]" 1
811 1 58 GLU HA 1 59 VAL HA . . 4.840 4.305 4.298 4.327 . 0 0 "[ . 1 . 2]" 1
812 1 58 GLU HA 1 59 VAL HB . . 5.340 4.884 4.713 5.037 . 0 0 "[ . 1 . 2]" 1
813 1 58 GLU HB2 1 59 VAL H . . 3.940 3.787 2.578 3.936 . 0 0 "[ . 1 . 2]" 1
814 1 58 GLU HB3 1 59 VAL H . . 3.940 2.704 2.184 3.766 . 0 0 "[ . 1 . 2]" 1
815 1 58 GLU QG 1 59 VAL H . . 4.020 3.825 3.420 4.014 . 0 0 "[ . 1 . 2]" 1
816 1 59 VAL H 1 59 VAL HB . . 3.010 2.578 2.419 2.804 . 0 0 "[ . 1 . 2]" 1
817 1 59 VAL H 1 59 VAL MG1 . . 3.960 3.763 3.742 3.788 . 0 0 "[ . 1 . 2]" 1
818 1 59 VAL H 1 59 VAL QG . . 2.870 2.078 1.879 2.367 . 0 0 "[ . 1 . 2]" 1
819 1 59 VAL H 1 59 VAL MG2 . . 3.960 2.089 1.883 2.393 . 0 0 "[ . 1 . 2]" 1
820 1 59 VAL H 1 60 GLY H . . 4.850 4.492 4.411 4.560 . 0 0 "[ . 1 . 2]" 1
821 1 59 VAL HA 1 59 VAL MG1 . . 3.270 2.375 2.209 2.461 . 0 0 "[ . 1 . 2]" 1
822 1 59 VAL HA 1 59 VAL QG . . 2.850 2.104 2.036 2.144 . 0 0 "[ . 1 . 2]" 1
823 1 59 VAL HA 1 59 VAL MG2 . . 3.270 2.360 2.240 2.485 . 0 0 "[ . 1 . 2]" 1
824 1 59 VAL HA 1 60 GLY H . . 2.930 2.149 2.144 2.159 . 0 0 "[ . 1 . 2]" 1
825 1 59 VAL HA 1 60 GLY HA3 . . 5.230 4.396 4.393 4.404 . 0 0 "[ . 1 . 2]" 1
826 1 59 VAL HA 1 61 ASP H . . 4.060 3.624 3.365 3.891 . 0 0 "[ . 1 . 2]" 1
827 1 59 VAL HB 1 60 GLY H . . 4.460 4.261 4.136 4.400 . 0 0 "[ . 1 . 2]" 1
828 1 59 VAL HB 1 60 GLY HA3 . . 5.500 4.774 4.654 4.943 . 0 0 "[ . 1 . 2]" 1
829 1 59 VAL QG 1 60 GLY H . . 3.230 2.607 2.322 2.925 . 0 0 "[ . 1 . 2]" 1
830 1 59 VAL QG 1 60 GLY HA2 . . 4.190 3.396 3.236 3.574 . 0 0 "[ . 1 . 2]" 1
831 1 59 VAL QG 1 61 ASP H . . 4.570 4.302 4.068 4.488 . 0 0 "[ . 1 . 2]" 1
832 1 59 VAL MG1 1 60 GLY H . . 4.180 2.641 2.336 2.998 . 0 0 "[ . 1 . 2]" 1
833 1 59 VAL MG2 1 60 GLY H . . 4.180 4.071 3.973 4.180 . 0 0 "[ . 1 . 2]" 1
834 1 60 GLY H 1 61 ASP H . . 3.490 2.460 2.015 2.755 . 0 0 "[ . 1 . 2]" 1
835 1 61 ASP H 1 61 ASP HB2 . . 3.830 2.515 2.217 3.566 . 0 0 "[ . 1 . 2]" 1
836 1 61 ASP H 1 61 ASP QB . . 3.220 2.296 2.176 2.490 . 0 0 "[ . 1 . 2]" 1
837 1 61 ASP H 1 61 ASP HB3 . . 3.830 3.369 2.197 3.604 . 0 0 "[ . 1 . 2]" 1
838 1 61 ASP H 1 62 LEU H . . 4.830 4.613 4.537 4.645 . 0 0 "[ . 1 . 2]" 1
839 1 61 ASP H 1 94 ILE MG . . 4.960 4.756 4.613 4.888 . 0 0 "[ . 1 . 2]" 1
840 1 61 ASP HA 1 62 LEU H . . 3.060 2.248 2.159 2.427 . 0 0 "[ . 1 . 2]" 1
841 1 61 ASP HA 1 62 LEU HB2 . . 4.970 4.758 4.679 4.836 . 0 0 "[ . 1 . 2]" 1
842 1 61 ASP HA 1 62 LEU MD2 . . 4.420 4.199 3.964 4.397 . 0 0 "[ . 1 . 2]" 1
843 1 61 ASP HA 1 62 LEU HG . . 4.520 3.493 3.314 3.653 . 0 0 "[ . 1 . 2]" 1
844 1 61 ASP HA 1 94 ILE MD . . 5.160 4.755 4.244 5.166 0.006 2 0 "[ . 1 . 2]" 1
845 1 61 ASP HA 1 94 ILE MG . . 4.240 3.406 3.090 3.711 . 0 0 "[ . 1 . 2]" 1
846 1 61 ASP HA 1 97 PRO HD2 . . 4.270 3.826 3.176 4.214 . 0 0 "[ . 1 . 2]" 1
847 1 61 ASP HA 1 97 PRO HD3 . . 4.000 3.698 3.280 3.983 . 0 0 "[ . 1 . 2]" 1
848 1 61 ASP HA 1 97 PRO QG . . 4.860 4.164 3.212 4.577 . 0 0 "[ . 1 . 2]" 1
849 1 61 ASP QB 1 62 LEU H . . 3.760 2.888 2.461 3.184 . 0 0 "[ . 1 . 2]" 1
850 1 61 ASP QB 1 94 ILE MD . . 4.010 2.739 1.980 3.631 . 0 0 "[ . 1 . 2]" 1
851 1 61 ASP QB 1 94 ILE MG . . 3.050 1.871 1.765 2.017 . 0 0 "[ . 1 . 2]" 1
852 1 61 ASP HB2 1 62 LEU H . . 4.600 3.935 2.489 4.335 . 0 0 "[ . 1 . 2]" 1
853 1 61 ASP HB2 1 94 ILE MG . . 3.690 3.032 1.832 3.401 . 0 0 "[ . 1 . 2]" 1
854 1 61 ASP HB3 1 62 LEU H . . 4.600 3.151 2.674 4.100 . 0 0 "[ . 1 . 2]" 1
855 1 61 ASP HB3 1 94 ILE MG . . 3.690 2.070 1.776 3.207 . 0 0 "[ . 1 . 2]" 1
856 1 62 LEU H 1 62 LEU HB2 . . 3.510 2.638 2.563 2.716 . 0 0 "[ . 1 . 2]" 1
857 1 62 LEU H 1 62 LEU HB3 . . 3.970 3.694 3.635 3.779 . 0 0 "[ . 1 . 2]" 1
858 1 62 LEU H 1 62 LEU MD1 . . 4.130 3.678 3.432 3.952 . 0 0 "[ . 1 . 2]" 1
859 1 62 LEU H 1 62 LEU MD2 . . 4.400 3.505 3.291 3.713 . 0 0 "[ . 1 . 2]" 1
860 1 62 LEU H 1 62 LEU HG . . 3.400 2.423 2.096 2.771 . 0 0 "[ . 1 . 2]" 1
861 1 62 LEU H 1 94 ILE MG . . 3.930 2.749 2.235 3.164 . 0 0 "[ . 1 . 2]" 1
862 1 62 LEU H 1 95 ARG H . . 4.010 3.665 3.364 3.976 . 0 0 "[ . 1 . 2]" 1
863 1 62 LEU H 1 95 ARG QB . . 5.340 5.067 4.303 5.338 . 0 0 "[ . 1 . 2]" 1
864 1 62 LEU H 1 96 ARG HA . . 4.430 4.143 3.243 4.430 . 5 0 "[ . 1 . 2]" 1
865 1 62 LEU H 1 97 PRO HD2 . . 4.300 4.209 3.876 4.304 0.004 4 0 "[ . 1 . 2]" 1
866 1 62 LEU H 1 97 PRO HD3 . . 3.900 3.119 2.752 3.336 . 0 0 "[ . 1 . 2]" 1
867 1 62 LEU HB2 1 62 LEU MD1 . . 3.490 2.236 2.116 2.345 . 0 0 "[ . 1 . 2]" 1
868 1 62 LEU HB2 1 62 LEU MD2 . . 3.320 3.178 3.144 3.194 . 0 0 "[ . 1 . 2]" 1
869 1 62 LEU HB2 1 63 VAL H . . 4.260 4.053 3.866 4.245 . 0 0 "[ . 1 . 2]" 1
870 1 62 LEU HB2 1 64 LEU MD1 . . 4.950 4.238 2.833 4.898 . 0 0 "[ . 1 . 2]" 1
871 1 62 LEU HB2 1 64 LEU QD . . 3.760 3.274 2.787 3.760 0.000 7 0 "[ . 1 . 2]" 1
872 1 62 LEU HB2 1 64 LEU MD2 . . 4.950 3.694 2.808 4.948 . 0 0 "[ . 1 . 2]" 1
873 1 62 LEU HB2 1 94 ILE MG . . 4.630 4.034 3.585 4.323 . 0 0 "[ . 1 . 2]" 1
874 1 62 LEU HB2 1 95 ARG H . . 3.920 3.555 3.334 3.732 . 0 0 "[ . 1 . 2]" 1
875 1 62 LEU HB2 1 95 ARG QB . . 4.090 3.768 2.704 4.050 . 0 0 "[ . 1 . 2]" 1
876 1 62 LEU HB2 1 95 ARG HG2 . . 5.230 4.928 4.079 5.202 . 0 0 "[ . 1 . 2]" 1
877 1 62 LEU HB3 1 63 VAL H . . 3.870 3.252 2.924 3.524 . 0 0 "[ . 1 . 2]" 1
878 1 62 LEU HB3 1 64 LEU QD . . 4.000 3.433 2.958 3.914 . 0 0 "[ . 1 . 2]" 1
879 1 62 LEU HB3 1 95 ARG H . . 5.270 5.001 4.718 5.200 . 0 0 "[ . 1 . 2]" 1
880 1 62 LEU MD1 1 95 ARG H . . 5.490 4.863 4.582 5.045 . 0 0 "[ . 1 . 2]" 1
881 1 62 LEU MD1 1 95 ARG QB . . 4.480 4.255 3.559 4.444 . 0 0 "[ . 1 . 2]" 1
882 1 62 LEU MD1 1 95 ARG QD . . 5.030 4.636 3.914 5.030 0.000 13 0 "[ . 1 . 2]" 1
883 1 62 LEU MD1 1 95 ARG HG2 . . 4.560 4.367 3.630 4.561 0.001 9 0 "[ . 1 . 2]" 1
884 1 62 LEU MD1 1 97 PRO HA . . 4.780 3.560 3.005 4.162 . 0 0 "[ . 1 . 2]" 1
885 1 62 LEU MD1 1 97 PRO HB2 . . 3.850 3.280 2.836 3.578 . 0 0 "[ . 1 . 2]" 1
886 1 62 LEU MD1 1 97 PRO QB . . 3.350 1.989 1.756 2.369 . 0 0 "[ . 1 . 2]" 1
887 1 62 LEU MD1 1 97 PRO HB3 . . 3.850 2.007 1.773 2.404 . 0 0 "[ . 1 . 2]" 1
888 1 62 LEU MD1 1 97 PRO HD3 . . 4.400 2.814 2.397 3.328 . 0 0 "[ . 1 . 2]" 1
889 1 62 LEU MD1 1 97 PRO HG2 . . 4.170 3.788 3.249 4.117 . 0 0 "[ . 1 . 2]" 1
890 1 62 LEU MD1 1 97 PRO QG . . 3.380 2.423 1.890 2.819 . 0 0 "[ . 1 . 2]" 1
891 1 62 LEU MD1 1 97 PRO HG3 . . 4.170 2.453 1.902 2.876 . 0 0 "[ . 1 . 2]" 1
892 1 62 LEU MD2 1 63 VAL H . . 3.970 3.835 3.513 3.970 0.000 20 0 "[ . 1 . 2]" 1
893 1 62 LEU MD2 1 97 PRO HD2 . . 5.500 5.274 5.027 5.456 . 0 0 "[ . 1 . 2]" 1
894 1 62 LEU MD2 1 97 PRO HD3 . . 4.560 4.310 3.910 4.560 0.000 11 0 "[ . 1 . 2]" 1
895 1 62 LEU HG 1 95 ARG H . . 5.500 5.308 5.079 5.496 . 0 0 "[ . 1 . 2]" 1
896 1 62 LEU HG 1 97 PRO HD2 . . 4.470 4.084 3.786 4.295 . 0 0 "[ . 1 . 2]" 1
897 1 62 LEU HG 1 97 PRO HD3 . . 3.960 2.776 2.324 3.011 . 0 0 "[ . 1 . 2]" 1
898 1 63 VAL H 1 63 VAL HB . . 3.250 2.698 2.568 2.861 . 0 0 "[ . 1 . 2]" 1
899 1 63 VAL H 1 63 VAL MG1 . . 4.200 3.824 3.787 3.868 . 0 0 "[ . 1 . 2]" 1
900 1 63 VAL H 1 63 VAL MG2 . . 3.220 2.285 2.035 2.541 . 0 0 "[ . 1 . 2]" 1
901 1 63 VAL H 1 64 LEU H . . 4.870 4.434 4.369 4.524 . 0 0 "[ . 1 . 2]" 1
902 1 63 VAL H 1 94 ILE MD . . 4.700 3.619 3.179 3.968 . 0 0 "[ . 1 . 2]" 1
903 1 63 VAL HA 1 63 VAL MG1 . . 3.150 2.267 2.126 2.406 . 0 0 "[ . 1 . 2]" 1
904 1 63 VAL HA 1 63 VAL MG2 . . 3.260 2.480 2.380 2.605 . 0 0 "[ . 1 . 2]" 1
905 1 63 VAL HA 1 64 LEU H . . 3.020 2.146 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
906 1 63 VAL HA 1 64 LEU HB2 . . 4.640 4.538 4.429 4.627 . 0 0 "[ . 1 . 2]" 1
907 1 63 VAL HA 1 65 HIS H . . 4.480 3.844 3.612 4.123 . 0 0 "[ . 1 . 2]" 1
908 1 63 VAL HA 1 93 VAL MG1 . . 5.500 5.183 4.852 5.394 . 0 0 "[ . 1 . 2]" 1
909 1 63 VAL HA 1 94 ILE HA . . 3.870 2.753 2.455 3.047 . 0 0 "[ . 1 . 2]" 1
910 1 63 VAL HA 1 94 ILE MD . . 3.260 2.033 1.867 2.363 . 0 0 "[ . 1 . 2]" 1
911 1 63 VAL HA 1 94 ILE MG . . 4.240 3.640 3.309 3.979 . 0 0 "[ . 1 . 2]" 1
912 1 63 VAL HA 1 95 ARG H . . 4.650 4.086 3.533 4.527 . 0 0 "[ . 1 . 2]" 1
913 1 63 VAL HB 1 64 LEU H . . 5.070 4.098 3.909 4.199 . 0 0 "[ . 1 . 2]" 1
914 1 63 VAL MG1 1 64 LEU H . . 3.900 2.658 2.450 2.891 . 0 0 "[ . 1 . 2]" 1
915 1 63 VAL MG1 1 65 HIS H . . 3.700 2.704 2.335 3.009 . 0 0 "[ . 1 . 2]" 1
916 1 63 VAL MG1 1 65 HIS HA . . 4.120 3.843 3.701 4.060 . 0 0 "[ . 1 . 2]" 1
917 1 63 VAL MG1 1 66 ILE HA . . 4.460 4.116 3.903 4.327 . 0 0 "[ . 1 . 2]" 1
918 1 63 VAL MG1 1 66 ILE QG . . 3.380 2.282 2.104 2.407 . 0 0 "[ . 1 . 2]" 1
919 1 63 VAL MG1 1 92 LEU HA . . 4.320 4.160 3.824 4.329 0.009 2 0 "[ . 1 . 2]" 1
920 1 63 VAL MG1 1 93 VAL H . . 4.310 3.382 3.035 3.719 . 0 0 "[ . 1 . 2]" 1
921 1 63 VAL MG2 1 94 ILE HA . . 4.450 4.156 3.837 4.412 . 0 0 "[ . 1 . 2]" 1
922 1 64 LEU H 1 64 LEU HB2 . . 3.210 2.462 2.350 2.553 . 0 0 "[ . 1 . 2]" 1
923 1 64 LEU H 1 64 LEU HB3 . . 3.900 3.656 3.597 3.710 . 0 0 "[ . 1 . 2]" 1
924 1 64 LEU H 1 64 LEU MD1 . . 4.320 3.550 1.891 4.192 . 0 0 "[ . 1 . 2]" 1
925 1 64 LEU H 1 64 LEU QD . . 3.730 2.682 1.833 3.435 . 0 0 "[ . 1 . 2]" 1
926 1 64 LEU H 1 64 LEU MD2 . . 4.320 3.199 1.840 4.293 . 0 0 "[ . 1 . 2]" 1
927 1 64 LEU H 1 64 LEU HG . . 3.980 3.307 2.630 3.981 0.001 8 0 "[ . 1 . 2]" 1
928 1 64 LEU H 1 65 HIS H . . 3.180 2.167 2.003 2.413 . 0 0 "[ . 1 . 2]" 1
929 1 64 LEU H 1 65 HIS HA . . 5.120 4.775 4.655 4.894 . 0 0 "[ . 1 . 2]" 1
930 1 64 LEU H 1 71 THR MG . . 5.500 4.510 4.114 5.033 . 0 0 "[ . 1 . 2]" 1
931 1 64 LEU H 1 93 VAL H . . 5.140 4.698 4.402 4.870 . 0 0 "[ . 1 . 2]" 1
932 1 64 LEU H 1 93 VAL HB . . 4.840 3.393 3.131 3.649 . 0 0 "[ . 1 . 2]" 1
933 1 64 LEU H 1 93 VAL MG1 . . 4.460 3.889 3.649 4.052 . 0 0 "[ . 1 . 2]" 1
934 1 64 LEU H 1 93 VAL MG2 . . 5.500 4.839 4.612 5.057 . 0 0 "[ . 1 . 2]" 1
935 1 64 LEU H 1 94 ILE HA . . 3.970 3.210 2.931 3.442 . 0 0 "[ . 1 . 2]" 1
936 1 64 LEU H 1 94 ILE MD . . 4.040 3.482 3.092 3.849 . 0 0 "[ . 1 . 2]" 1
937 1 64 LEU H 1 95 ARG H . . 4.680 4.403 4.033 4.681 0.001 5 0 "[ . 1 . 2]" 1
938 1 64 LEU HA 1 64 LEU MD1 . . 4.060 3.178 2.022 3.941 . 0 0 "[ . 1 . 2]" 1
939 1 64 LEU HA 1 64 LEU QD . . 3.190 2.219 1.957 3.063 . 0 0 "[ . 1 . 2]" 1
940 1 64 LEU HA 1 64 LEU MD2 . . 4.060 2.539 1.963 3.843 . 0 0 "[ . 1 . 2]" 1
941 1 64 LEU HA 1 64 LEU HG . . 3.970 3.246 2.436 3.823 . 0 0 "[ . 1 . 2]" 1
942 1 64 LEU HA 1 71 THR MG . . 4.320 3.321 2.911 3.932 . 0 0 "[ . 1 . 2]" 1
943 1 64 LEU HA 1 93 VAL MG1 . . 5.500 5.367 5.024 5.496 . 0 0 "[ . 1 . 2]" 1
944 1 64 LEU HB2 1 65 HIS H . . 3.540 2.685 2.412 3.015 . 0 0 "[ . 1 . 2]" 1
945 1 64 LEU HB2 1 65 HIS HD2 . . 4.360 3.678 2.687 4.303 . 0 0 "[ . 1 . 2]" 1
946 1 64 LEU HB2 1 93 VAL HB . . 4.370 3.211 2.951 3.494 . 0 0 "[ . 1 . 2]" 1
947 1 64 LEU HB2 1 93 VAL MG1 . . 3.550 2.856 2.446 3.068 . 0 0 "[ . 1 . 2]" 1
948 1 64 LEU HB3 1 65 HIS H . . 3.980 3.680 3.297 3.908 . 0 0 "[ . 1 . 2]" 1
949 1 64 LEU HB3 1 65 HIS HA . . 5.170 4.891 4.676 5.046 . 0 0 "[ . 1 . 2]" 1
950 1 64 LEU HB3 1 65 HIS HD2 . . 4.370 3.762 3.051 4.328 . 0 0 "[ . 1 . 2]" 1
951 1 64 LEU HB3 1 93 VAL HB . . 4.890 4.609 4.130 4.881 . 0 0 "[ . 1 . 2]" 1
952 1 64 LEU HB3 1 93 VAL MG1 . . 4.390 4.080 3.586 4.375 . 0 0 "[ . 1 . 2]" 1
953 1 64 LEU QD 1 65 HIS HE1 . . 4.960 4.796 4.394 4.961 0.001 4 0 "[ . 1 . 2]" 1
954 1 64 LEU QD 1 93 VAL HB . . 5.180 4.262 3.590 4.790 . 0 0 "[ . 1 . 2]" 1
955 1 64 LEU QD 1 95 ARG QB . . 3.410 1.927 1.687 2.303 . 0 0 "[ . 1 . 2]" 1
956 1 64 LEU QD 1 95 ARG QD . . 3.710 2.371 1.797 3.261 . 0 0 "[ . 1 . 2]" 1
957 1 64 LEU MD1 1 95 ARG H . . 5.050 4.062 2.505 5.045 . 0 0 "[ . 1 . 2]" 1
958 1 64 LEU MD2 1 95 ARG H . . 5.050 3.962 2.392 5.048 . 0 0 "[ . 1 . 2]" 1
959 1 64 LEU HG 1 65 HIS H . . 5.170 4.636 4.292 5.110 . 0 0 "[ . 1 . 2]" 1
960 1 65 HIS H 1 65 HIS HB2 . . 3.800 2.929 2.837 3.097 . 0 0 "[ . 1 . 2]" 1
961 1 65 HIS H 1 65 HIS HD2 . . 4.590 4.302 3.758 4.577 . 0 0 "[ . 1 . 2]" 1
962 1 65 HIS H 1 66 ILE H . . 4.590 4.392 4.367 4.413 . 0 0 "[ . 1 . 2]" 1
963 1 65 HIS H 1 71 THR MG . . 4.930 3.824 3.522 4.262 . 0 0 "[ . 1 . 2]" 1
964 1 65 HIS H 1 93 VAL H . . 3.800 3.580 3.391 3.716 . 0 0 "[ . 1 . 2]" 1
965 1 65 HIS H 1 93 VAL HB . . 3.500 2.087 1.921 2.325 . 0 0 "[ . 1 . 2]" 1
966 1 65 HIS H 1 93 VAL MG1 . . 4.360 3.452 3.202 3.667 . 0 0 "[ . 1 . 2]" 1
967 1 65 HIS H 1 93 VAL MG2 . . 3.860 3.414 3.180 3.613 . 0 0 "[ . 1 . 2]" 1
968 1 65 HIS HA 1 66 ILE H . . 2.960 2.521 2.372 2.625 . 0 0 "[ . 1 . 2]" 1
969 1 65 HIS HA 1 66 ILE HB . . 5.450 4.439 4.367 4.598 . 0 0 "[ . 1 . 2]" 1
970 1 65 HIS HA 1 66 ILE MD . . 4.750 4.640 4.244 4.738 . 0 0 "[ . 1 . 2]" 1
971 1 65 HIS HA 1 69 GLU H . . 5.440 4.853 4.397 5.164 . 0 0 "[ . 1 . 2]" 1
972 1 65 HIS HA 1 70 SER HA . . 3.760 3.588 3.253 3.758 . 0 0 "[ . 1 . 2]" 1
973 1 65 HIS HA 1 71 THR H . . 3.350 2.800 2.512 3.086 . 0 0 "[ . 1 . 2]" 1
974 1 65 HIS HA 1 71 THR HA . . 4.930 4.903 4.818 4.930 . 0 0 "[ . 1 . 2]" 1
975 1 65 HIS HA 1 71 THR MG . . 3.380 2.517 1.871 3.127 . 0 0 "[ . 1 . 2]" 1
976 1 65 HIS HA 1 72 GLN H . . 5.470 5.318 5.011 5.470 0.000 17 0 "[ . 1 . 2]" 1
977 1 65 HIS HB2 1 66 ILE H . . 4.300 3.299 3.001 3.648 . 0 0 "[ . 1 . 2]" 1
978 1 65 HIS HB2 1 68 GLY H . . 4.880 4.544 4.185 4.876 . 0 0 "[ . 1 . 2]" 1
979 1 65 HIS HB2 1 69 GLU H . . 4.870 4.581 4.214 4.842 . 0 0 "[ . 1 . 2]" 1
980 1 65 HIS HB2 1 93 VAL H . . 4.460 4.013 3.808 4.350 . 0 0 "[ . 1 . 2]" 1
981 1 65 HIS HB2 1 93 VAL HB . . 3.620 2.381 2.081 2.563 . 0 0 "[ . 1 . 2]" 1
982 1 65 HIS HB2 1 93 VAL MG1 . . 4.200 3.045 2.823 3.249 . 0 0 "[ . 1 . 2]" 1
983 1 65 HIS HB2 1 93 VAL MG2 . . 3.360 1.991 1.865 2.178 . 0 0 "[ . 1 . 2]" 1
984 1 65 HIS HB3 1 66 ILE H . . 3.770 2.241 2.091 2.517 . 0 0 "[ . 1 . 2]" 1
985 1 65 HIS HB3 1 68 GLY H . . 4.910 4.246 3.769 4.531 . 0 0 "[ . 1 . 2]" 1
986 1 65 HIS HB3 1 68 GLY QA . . 4.750 4.011 3.606 4.231 . 0 0 "[ . 1 . 2]" 1
987 1 65 HIS HB3 1 69 GLU H . . 4.100 3.322 2.905 3.616 . 0 0 "[ . 1 . 2]" 1
988 1 65 HIS HB3 1 93 VAL H . . 5.450 5.025 4.860 5.243 . 0 0 "[ . 1 . 2]" 1
989 1 65 HIS HB3 1 93 VAL HB . . 4.090 3.996 3.732 4.090 . 0 0 "[ . 1 . 2]" 1
990 1 65 HIS HB3 1 93 VAL MG2 . . 3.750 3.025 2.835 3.283 . 0 0 "[ . 1 . 2]" 1
991 1 65 HIS HD2 1 93 VAL HB . . 4.260 3.796 3.175 4.252 . 0 0 "[ . 1 . 2]" 1
992 1 65 HIS HD2 1 93 VAL MG1 . . 3.670 2.809 2.067 3.497 . 0 0 "[ . 1 . 2]" 1
993 1 65 HIS HD2 1 93 VAL MG2 . . 4.210 3.363 3.018 3.677 . 0 0 "[ . 1 . 2]" 1
994 1 65 HIS HE1 1 71 THR MG . . 4.500 4.330 3.779 4.498 . 0 0 "[ . 1 . 2]" 1
995 1 66 ILE H 1 66 ILE HB . . 3.480 2.893 2.822 2.977 . 0 0 "[ . 1 . 2]" 1
996 1 66 ILE H 1 66 ILE MD . . 4.720 4.358 3.835 4.491 . 0 0 "[ . 1 . 2]" 1
997 1 66 ILE H 1 66 ILE QG . . 4.150 3.162 2.879 3.243 . 0 0 "[ . 1 . 2]" 1
998 1 66 ILE H 1 66 ILE MG . . 3.970 3.914 3.869 3.949 . 0 0 "[ . 1 . 2]" 1
999 1 66 ILE H 1 67 ASN H . . 4.830 4.162 4.014 4.304 . 0 0 "[ . 1 . 2]" 1
1000 1 66 ILE H 1 69 GLU H . . 3.580 2.639 2.169 2.936 . 0 0 "[ . 1 . 2]" 1
1001 1 66 ILE H 1 69 GLU HB2 . . 5.030 3.998 3.010 5.027 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ILE H 1 69 GLU QB . . 4.350 3.330 2.953 3.794 . 0 0 "[ . 1 . 2]" 1
1003 1 66 ILE H 1 69 GLU HB3 . . 5.030 4.077 3.006 4.891 . 0 0 "[ . 1 . 2]" 1
1004 1 66 ILE H 1 71 THR H . . 4.550 4.263 3.809 4.491 . 0 0 "[ . 1 . 2]" 1
1005 1 66 ILE H 1 93 VAL HB . . 5.350 4.748 4.547 4.978 . 0 0 "[ . 1 . 2]" 1
1006 1 66 ILE H 1 93 VAL MG2 . . 3.750 3.456 3.333 3.566 . 0 0 "[ . 1 . 2]" 1
1007 1 66 ILE HA 1 66 ILE MD . . 4.180 3.820 3.789 3.912 . 0 0 "[ . 1 . 2]" 1
1008 1 66 ILE HA 1 66 ILE HG12 . . 4.180 2.524 2.454 2.800 . 0 0 "[ . 1 . 2]" 1
1009 1 66 ILE HA 1 66 ILE QG . . 3.650 2.383 2.348 2.504 . 0 0 "[ . 1 . 2]" 1
1010 1 66 ILE HA 1 66 ILE HG13 . . 4.180 2.948 2.788 3.050 . 0 0 "[ . 1 . 2]" 1
1011 1 66 ILE HA 1 66 ILE MG . . 3.390 2.405 2.367 2.451 . 0 0 "[ . 1 . 2]" 1
1012 1 66 ILE HA 1 67 ASN H . . 3.140 2.156 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
1013 1 66 ILE HA 1 67 ASN HA . . 4.810 4.365 4.355 4.374 . 0 0 "[ . 1 . 2]" 1
1014 1 66 ILE HA 1 69 GLU H . . 5.500 4.233 4.088 4.314 . 0 0 "[ . 1 . 2]" 1
1015 1 66 ILE HA 1 92 LEU HA . . 4.250 2.367 2.113 2.571 . 0 0 "[ . 1 . 2]" 1
1016 1 66 ILE HA 1 92 LEU MD2 . . 3.510 2.976 2.693 3.439 . 0 0 "[ . 1 . 2]" 1
1017 1 66 ILE HA 1 93 VAL H . . 4.990 2.693 2.396 2.943 . 0 0 "[ . 1 . 2]" 1
1018 1 66 ILE HA 1 93 VAL MG2 . . 4.860 2.937 2.735 3.019 . 0 0 "[ . 1 . 2]" 1
1019 1 66 ILE HB 1 66 ILE MD . . 3.330 2.412 2.249 2.507 . 0 0 "[ . 1 . 2]" 1
1020 1 66 ILE HB 1 67 ASN H . . 4.750 4.201 4.049 4.304 . 0 0 "[ . 1 . 2]" 1
1021 1 66 ILE HB 1 69 GLU H . . 5.080 4.337 3.954 4.650 . 0 0 "[ . 1 . 2]" 1
1022 1 66 ILE HB 1 82 ARG HB3 . . 4.940 4.169 3.399 4.803 . 0 0 "[ . 1 . 2]" 1
1023 1 66 ILE HB 1 82 ARG QG . . 4.760 4.046 3.614 4.426 . 0 0 "[ . 1 . 2]" 1
1024 1 66 ILE HB 1 92 LEU MD2 . . 4.430 4.026 3.770 4.287 . 0 0 "[ . 1 . 2]" 1
1025 1 66 ILE HB 1 93 VAL MG2 . . 5.220 5.198 5.044 5.227 0.007 2 0 "[ . 1 . 2]" 1
1026 1 66 ILE MD 1 71 THR HA . . 5.500 5.087 4.257 5.435 . 0 0 "[ . 1 . 2]" 1
1027 1 66 ILE MD 1 71 THR HB . . 4.690 3.581 2.938 4.203 . 0 0 "[ . 1 . 2]" 1
1028 1 66 ILE MD 1 79 ALA HA . . 3.820 2.936 2.590 3.611 . 0 0 "[ . 1 . 2]" 1
1029 1 66 ILE MD 1 79 ALA MB . . 3.450 2.111 1.826 2.448 . 0 0 "[ . 1 . 2]" 1
1030 1 66 ILE MD 1 80 VAL HA . . 4.720 4.343 4.072 4.634 . 0 0 "[ . 1 . 2]" 1
1031 1 66 ILE MD 1 82 ARG H . . 5.500 5.018 4.672 5.486 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ILE MD 1 83 ILE H . . 4.410 4.291 3.975 4.412 0.002 2 0 "[ . 1 . 2]" 1
1033 1 66 ILE QG 1 93 VAL MG2 . . 4.230 4.101 3.994 4.220 . 0 0 "[ . 1 . 2]" 1
1034 1 66 ILE HG12 1 92 LEU MD2 . . 3.920 2.240 1.996 2.456 . 0 0 "[ . 1 . 2]" 1
1035 1 66 ILE HG12 1 93 VAL MG2 . . 4.980 4.632 4.454 4.918 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ILE HG13 1 92 LEU MD2 . . 3.920 3.761 3.525 3.926 0.006 8 0 "[ . 1 . 2]" 1
1037 1 66 ILE HG13 1 93 VAL MG2 . . 4.980 4.584 4.401 4.766 . 0 0 "[ . 1 . 2]" 1
1038 1 66 ILE MG 1 67 ASN H . . 3.900 2.342 2.142 2.583 . 0 0 "[ . 1 . 2]" 1
1039 1 66 ILE MG 1 67 ASN HB2 . . 4.410 2.850 2.537 4.059 . 0 0 "[ . 1 . 2]" 1
1040 1 66 ILE MG 1 67 ASN QB . . 3.710 2.748 2.508 3.177 . 0 0 "[ . 1 . 2]" 1
1041 1 66 ILE MG 1 67 ASN HB3 . . 4.410 4.009 3.121 4.163 . 0 0 "[ . 1 . 2]" 1
1042 1 66 ILE MG 1 67 ASN HD21 . . 4.150 2.260 1.767 3.424 . 0 0 "[ . 1 . 2]" 1
1043 1 66 ILE MG 1 67 ASN QD . . 3.610 2.117 1.747 2.790 . 0 0 "[ . 1 . 2]" 1
1044 1 66 ILE MG 1 67 ASN HD22 . . 4.150 2.982 1.865 3.476 . 0 0 "[ . 1 . 2]" 1
1045 1 66 ILE MG 1 69 GLU H . . 4.660 4.486 4.349 4.650 . 0 0 "[ . 1 . 2]" 1
1046 1 66 ILE MG 1 69 GLU QB . . 5.340 4.011 3.530 4.363 . 0 0 "[ . 1 . 2]" 1
1047 1 66 ILE MG 1 82 ARG H . . 5.150 4.689 4.330 4.920 . 0 0 "[ . 1 . 2]" 1
1048 1 66 ILE MG 1 82 ARG HB2 . . 3.930 2.607 2.233 2.841 . 0 0 "[ . 1 . 2]" 1
1049 1 66 ILE MG 1 82 ARG HB3 . . 3.660 2.903 2.393 3.249 . 0 0 "[ . 1 . 2]" 1
1050 1 66 ILE MG 1 82 ARG QG . . 3.830 3.771 3.531 3.831 0.001 14 0 "[ . 1 . 2]" 1
1051 1 66 ILE MG 1 83 ILE H . . 3.900 3.511 3.212 3.900 . 5 0 "[ . 1 . 2]" 1
1052 1 66 ILE MG 1 83 ILE HA . . 3.750 3.336 3.140 3.518 . 0 0 "[ . 1 . 2]" 1
1053 1 66 ILE MG 1 83 ILE HG12 . . 3.850 2.351 1.958 3.828 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ILE MG 1 83 ILE HG13 . . 3.850 2.748 2.124 3.850 0.000 8 0 "[ . 1 . 2]" 1
1055 1 66 ILE MG 1 83 ILE MG . . 3.710 3.639 3.393 3.713 0.003 4 0 "[ . 1 . 2]" 1
1056 1 66 ILE MG 1 91 HIS H . . 4.640 4.122 3.906 4.287 . 0 0 "[ . 1 . 2]" 1
1057 1 66 ILE MG 1 92 LEU MD2 . . 2.720 1.891 1.687 2.059 . 0 0 "[ . 1 . 2]" 1
1058 1 66 ILE MG 1 93 VAL H . . 4.470 4.375 4.148 4.472 0.002 6 0 "[ . 1 . 2]" 1
1059 1 67 ASN H 1 68 GLY H . . 4.000 2.858 2.702 3.126 . 0 0 "[ . 1 . 2]" 1
1060 1 67 ASN H 1 91 HIS H . . 4.550 4.371 4.088 4.514 . 0 0 "[ . 1 . 2]" 1
1061 1 67 ASN H 1 91 HIS QB . . 3.890 2.899 2.581 3.197 . 0 0 "[ . 1 . 2]" 1
1062 1 67 ASN H 1 92 LEU HA . . 4.650 2.942 2.545 3.371 . 0 0 "[ . 1 . 2]" 1
1063 1 67 ASN H 1 92 LEU MD2 . . 3.990 3.413 3.029 3.955 . 0 0 "[ . 1 . 2]" 1
1064 1 67 ASN HA 1 91 HIS H . . 4.690 4.448 3.891 4.660 . 0 0 "[ . 1 . 2]" 1
1065 1 67 ASN HA 1 91 HIS QB . . 3.580 2.072 1.990 2.230 . 0 0 "[ . 1 . 2]" 1
1066 1 67 ASN QB 1 67 ASN QD . . 3.030 2.147 2.063 2.534 . 0 0 "[ . 1 . 2]" 1
1067 1 67 ASN QD 1 83 ILE HA . . 4.050 2.287 1.852 2.814 . 0 0 "[ . 1 . 2]" 1
1068 1 67 ASN QD 1 86 GLY H . . 4.310 4.035 3.354 4.311 0.001 14 0 "[ . 1 . 2]" 1
1069 1 67 ASN QD 1 86 GLY QA . . 3.800 2.886 2.363 3.466 . 0 0 "[ . 1 . 2]" 1
1070 1 67 ASN QD 1 91 HIS H . . 4.710 2.856 2.104 3.552 . 0 0 "[ . 1 . 2]" 1
1071 1 67 ASN HD21 1 83 ILE HA . . 4.660 3.039 2.277 4.242 . 0 0 "[ . 1 . 2]" 1
1072 1 67 ASN HD21 1 92 LEU MD2 . . 4.220 3.714 3.209 4.194 . 0 0 "[ . 1 . 2]" 1
1073 1 67 ASN HD22 1 83 ILE HA . . 4.660 2.427 1.906 2.999 . 0 0 "[ . 1 . 2]" 1
1074 1 67 ASN HD22 1 92 LEU MD2 . . 4.220 3.566 2.925 4.200 . 0 0 "[ . 1 . 2]" 1
1075 1 68 GLY H 1 69 GLU H . . 3.660 2.652 2.463 2.739 . 0 0 "[ . 1 . 2]" 1
1076 1 68 GLY H 1 91 HIS QB . . 5.300 4.175 3.573 4.463 . 0 0 "[ . 1 . 2]" 1
1077 1 69 GLU H 1 69 GLU QB . . 3.140 2.505 2.429 2.640 . 0 0 "[ . 1 . 2]" 1
1078 1 69 GLU H 1 69 GLU QG . . 4.240 3.397 2.377 4.207 . 0 0 "[ . 1 . 2]" 1
1079 1 69 GLU HA 1 69 GLU QG . . 3.710 2.654 2.197 3.269 . 0 0 "[ . 1 . 2]" 1
1080 1 70 SER HA 1 71 THR H . . 2.890 2.149 2.137 2.178 . 0 0 "[ . 1 . 2]" 1
1081 1 70 SER HA 1 72 GLN H . . 4.170 3.428 3.319 3.604 . 0 0 "[ . 1 . 2]" 1
1082 1 70 SER QB 1 71 THR H . . 3.850 3.481 3.037 3.846 . 0 0 "[ . 1 . 2]" 1
1083 1 70 SER QB 1 72 GLN H . . 3.970 2.784 2.387 3.784 . 0 0 "[ . 1 . 2]" 1
1084 1 70 SER HB2 1 71 THR H . . 4.610 4.057 3.241 4.557 . 0 0 "[ . 1 . 2]" 1
1085 1 70 SER HB3 1 71 THR H . . 4.610 3.990 3.122 4.499 . 0 0 "[ . 1 . 2]" 1
1086 1 71 THR H 1 71 THR MG . . 3.230 2.022 1.835 2.218 . 0 0 "[ . 1 . 2]" 1
1087 1 71 THR H 1 72 GLN H . . 3.280 2.593 2.394 2.722 . 0 0 "[ . 1 . 2]" 1
1088 1 71 THR H 1 72 GLN QB . . 4.930 4.390 4.178 4.718 . 0 0 "[ . 1 . 2]" 1
1089 1 71 THR H 1 74 LEU MD1 . . 4.640 4.041 3.593 4.502 . 0 0 "[ . 1 . 2]" 1
1090 1 71 THR HA 1 71 THR MG . . 3.330 3.105 2.583 3.206 . 0 0 "[ . 1 . 2]" 1
1091 1 71 THR HA 1 74 LEU H . . 4.730 2.985 2.619 3.321 . 0 0 "[ . 1 . 2]" 1
1092 1 71 THR HA 1 74 LEU HB2 . . 4.290 2.176 2.000 2.399 . 0 0 "[ . 1 . 2]" 1
1093 1 71 THR HA 1 74 LEU MD1 . . 3.160 2.313 2.040 2.635 . 0 0 "[ . 1 . 2]" 1
1094 1 71 THR HA 1 74 LEU HG . . 3.500 2.636 2.092 3.500 . 0 0 "[ . 1 . 2]" 1
1095 1 71 THR HB 1 72 GLN H . . 4.860 4.415 4.185 4.512 . 0 0 "[ . 1 . 2]" 1
1096 1 71 THR HB 1 74 LEU H . . 5.070 4.867 3.958 5.071 0.001 13 0 "[ . 1 . 2]" 1
1097 1 71 THR HB 1 74 LEU HB2 . . 4.410 3.548 2.875 4.208 . 0 0 "[ . 1 . 2]" 1
1098 1 71 THR HB 1 74 LEU MD1 . . 3.970 3.430 2.798 3.969 . 0 0 "[ . 1 . 2]" 1
1099 1 71 THR MG 1 72 GLN H . . 4.380 3.130 2.311 3.845 . 0 0 "[ . 1 . 2]" 1
1100 1 72 GLN H 1 72 GLN QB . . 2.850 2.264 2.151 2.410 . 0 0 "[ . 1 . 2]" 1
1101 1 72 GLN H 1 72 GLN QG . . 4.110 3.282 2.234 4.033 . 0 0 "[ . 1 . 2]" 1
1102 1 72 GLN H 1 73 GLY H . . 4.830 2.739 2.654 2.861 . 0 0 "[ . 1 . 2]" 1
1103 1 72 GLN H 1 74 LEU MD1 . . 5.050 4.664 4.152 5.013 . 0 0 "[ . 1 . 2]" 1
1104 1 72 GLN HA 1 72 GLN QG . . 3.590 2.653 2.275 3.339 . 0 0 "[ . 1 . 2]" 1
1105 1 72 GLN HA 1 74 LEU H . . 4.500 4.216 3.850 4.418 . 0 0 "[ . 1 . 2]" 1
1106 1 72 GLN QB 1 73 GLY H . . 4.560 2.981 2.509 3.571 . 0 0 "[ . 1 . 2]" 1
1107 1 72 GLN QG 1 73 GLY H . . 4.520 3.723 2.021 4.480 . 0 0 "[ . 1 . 2]" 1
1108 1 73 GLY H 1 74 LEU H . . 3.610 2.351 1.985 2.678 . 0 0 "[ . 1 . 2]" 1
1109 1 73 GLY QA 1 74 LEU MD2 . . 4.450 3.988 3.569 4.321 . 0 0 "[ . 1 . 2]" 1
1110 1 73 GLY QA 1 74 LEU HG . . 5.100 4.001 3.606 4.628 . 0 0 "[ . 1 . 2]" 1
1111 1 74 LEU H 1 74 LEU HB2 . . 3.220 2.573 2.340 2.748 . 0 0 "[ . 1 . 2]" 1
1112 1 74 LEU H 1 74 LEU HB3 . . 4.150 3.721 3.596 3.807 . 0 0 "[ . 1 . 2]" 1
1113 1 74 LEU H 1 74 LEU MD1 . . 4.390 3.938 3.541 4.223 . 0 0 "[ . 1 . 2]" 1
1114 1 74 LEU H 1 74 LEU MD2 . . 4.040 3.719 3.470 3.955 . 0 0 "[ . 1 . 2]" 1
1115 1 74 LEU H 1 74 LEU HG . . 3.160 2.835 2.572 3.114 . 0 0 "[ . 1 . 2]" 1
1116 1 74 LEU H 1 75 THR H . . 4.570 4.403 4.242 4.563 . 0 0 "[ . 1 . 2]" 1
1117 1 74 LEU H 1 75 THR MG . . 5.120 5.081 4.889 5.123 0.003 2 0 "[ . 1 . 2]" 1
1118 1 74 LEU HB2 1 74 LEU MD1 . . 3.470 2.287 2.083 2.512 . 0 0 "[ . 1 . 2]" 1
1119 1 74 LEU HB2 1 75 THR H . . 4.270 4.074 3.519 4.272 0.002 2 0 "[ . 1 . 2]" 1
1120 1 74 LEU HB2 1 78 GLN HB3 . . 4.480 4.127 3.766 4.474 . 0 0 "[ . 1 . 2]" 1
1121 1 74 LEU HB2 1 79 ALA H . . 4.640 4.080 3.627 4.470 . 0 0 "[ . 1 . 2]" 1
1122 1 74 LEU HB2 1 79 ALA MB . . 4.110 3.550 3.073 3.854 . 0 0 "[ . 1 . 2]" 1
1123 1 74 LEU HB3 1 74 LEU MD1 . . 3.640 2.375 2.110 2.622 . 0 0 "[ . 1 . 2]" 1
1124 1 74 LEU HB3 1 75 THR H . . 3.780 3.135 2.325 3.530 . 0 0 "[ . 1 . 2]" 1
1125 1 74 LEU HB3 1 78 GLN H . . 4.620 4.519 4.237 4.621 0.001 10 0 "[ . 1 . 2]" 1
1126 1 74 LEU HB3 1 78 GLN HB3 . . 4.130 2.409 2.004 2.843 . 0 0 "[ . 1 . 2]" 1
1127 1 74 LEU HB3 1 78 GLN QG . . 4.680 3.575 3.224 4.338 . 0 0 "[ . 1 . 2]" 1
1128 1 74 LEU HB3 1 79 ALA H . . 4.300 2.976 2.554 3.403 . 0 0 "[ . 1 . 2]" 1
1129 1 74 LEU MD1 1 78 GLN HB3 . . 4.420 3.264 2.625 3.746 . 0 0 "[ . 1 . 2]" 1
1130 1 74 LEU MD1 1 79 ALA H . . 4.650 4.093 3.362 4.454 . 0 0 "[ . 1 . 2]" 1
1131 1 74 LEU MD1 1 79 ALA HA . . 3.310 3.023 2.531 3.299 . 0 0 "[ . 1 . 2]" 1
1132 1 74 LEU MD1 1 79 ALA MB . . 3.880 3.589 3.213 3.850 . 0 0 "[ . 1 . 2]" 1
1133 1 74 LEU MD1 1 82 ARG HD2 . . 4.530 3.760 2.603 4.460 . 0 0 "[ . 1 . 2]" 1
1134 1 74 LEU MD1 1 82 ARG QD . . 3.760 3.138 2.538 3.756 . 0 0 "[ . 1 . 2]" 1
1135 1 74 LEU MD1 1 82 ARG HD3 . . 4.530 3.742 2.612 4.515 . 0 0 "[ . 1 . 2]" 1
1136 1 74 LEU MD1 1 82 ARG QG . . 3.940 2.370 1.999 2.790 . 0 0 "[ . 1 . 2]" 1
1137 1 74 LEU MD2 1 75 THR H . . 3.860 3.512 3.021 3.792 . 0 0 "[ . 1 . 2]" 1
1138 1 74 LEU MD2 1 78 GLN H . . 5.040 4.937 4.722 5.040 . 18 0 "[ . 1 . 2]" 1
1139 1 74 LEU MD2 1 78 GLN HA . . 4.360 4.222 4.072 4.350 . 0 0 "[ . 1 . 2]" 1
1140 1 74 LEU MD2 1 78 GLN HB2 . . 3.350 2.931 2.616 3.164 . 0 0 "[ . 1 . 2]" 1
1141 1 74 LEU MD2 1 78 GLN HB3 . . 3.640 2.068 1.985 2.273 . 0 0 "[ . 1 . 2]" 1
1142 1 74 LEU MD2 1 78 GLN QE . . 4.630 3.816 2.575 4.610 . 0 0 "[ . 1 . 2]" 1
1143 1 74 LEU MD2 1 79 ALA H . . 5.170 4.414 4.116 4.774 . 0 0 "[ . 1 . 2]" 1
1144 1 75 THR H 1 75 THR HG1 . . 4.330 2.751 1.895 3.886 . 0 0 "[ . 1 . 2]" 1
1145 1 75 THR H 1 75 THR MG . . 3.190 2.651 1.878 3.036 . 0 0 "[ . 1 . 2]" 1
1146 1 75 THR H 1 78 GLN H . . 4.180 3.401 2.976 3.677 . 0 0 "[ . 1 . 2]" 1
1147 1 75 THR H 1 78 GLN HA . . 5.040 4.874 4.566 5.040 . 0 0 "[ . 1 . 2]" 1
1148 1 75 THR H 1 78 GLN HB2 . . 3.910 2.141 1.907 2.437 . 0 0 "[ . 1 . 2]" 1
1149 1 75 THR H 1 78 GLN HB3 . . 3.980 3.530 3.297 3.701 . 0 0 "[ . 1 . 2]" 1
1150 1 75 THR H 1 78 GLN QG . . 3.280 2.384 1.946 3.001 . 0 0 "[ . 1 . 2]" 1
1151 1 75 THR H 1 79 ALA H . . 4.580 3.904 3.514 4.344 . 0 0 "[ . 1 . 2]" 1
1152 1 75 THR HG1 1 75 THR MG . . 3.360 2.745 2.127 3.042 . 0 0 "[ . 1 . 2]" 1
1153 1 75 THR HG1 1 76 HIS H . . 4.720 3.712 2.664 4.653 . 0 0 "[ . 1 . 2]" 1
1154 1 75 THR HG1 1 77 ALA H . . 4.150 3.003 1.947 4.088 . 0 0 "[ . 1 . 2]" 1
1155 1 75 THR HG1 1 77 ALA MB . . 3.920 2.984 2.354 3.844 . 0 0 "[ . 1 . 2]" 1
1156 1 75 THR HG1 1 78 GLN H . . 3.520 2.473 1.901 3.374 . 0 0 "[ . 1 . 2]" 1
1157 1 75 THR HG1 1 78 GLN QG . . 4.330 2.550 2.077 4.161 . 0 0 "[ . 1 . 2]" 1
1158 1 75 THR MG 1 76 HIS H . . 4.000 3.419 3.269 3.794 . 0 0 "[ . 1 . 2]" 1
1159 1 75 THR MG 1 76 HIS HA . . 5.500 5.466 5.187 5.532 0.032 2 0 "[ . 1 . 2]" 1
1160 1 75 THR MG 1 77 ALA H . . 4.710 4.405 3.228 4.689 . 0 0 "[ . 1 . 2]" 1
1161 1 75 THR MG 1 78 GLN H . . 5.030 4.415 2.362 4.651 . 0 0 "[ . 1 . 2]" 1
1162 1 75 THR MG 1 78 GLN HB2 . . 4.880 4.344 3.129 4.652 . 0 0 "[ . 1 . 2]" 1
1163 1 75 THR MG 1 78 GLN QE . . 5.340 4.692 2.046 5.315 . 0 0 "[ . 1 . 2]" 1
1164 1 75 THR MG 1 78 GLN QG . . 3.930 3.590 2.005 3.830 . 0 0 "[ . 1 . 2]" 1
1165 1 76 HIS H 1 76 HIS HB2 . . 3.400 2.665 2.338 2.847 . 0 0 "[ . 1 . 2]" 1
1166 1 76 HIS H 1 76 HIS HB3 . . 3.360 2.424 2.258 2.738 . 0 0 "[ . 1 . 2]" 1
1167 1 76 HIS H 1 77 ALA H . . 3.640 2.857 2.637 3.113 . 0 0 "[ . 1 . 2]" 1
1168 1 76 HIS H 1 77 ALA MB . . 4.850 4.469 4.263 4.652 . 0 0 "[ . 1 . 2]" 1
1169 1 76 HIS HA 1 76 HIS HD2 . . 4.290 3.049 2.436 3.826 . 0 0 "[ . 1 . 2]" 1
1170 1 76 HIS HA 1 79 ALA H . . 4.120 3.959 3.602 4.120 . 0 0 "[ . 1 . 2]" 1
1171 1 76 HIS HA 1 79 ALA MB . . 3.410 2.949 2.657 3.263 . 0 0 "[ . 1 . 2]" 1
1172 1 76 HIS HA 1 80 VAL H . . 4.630 4.257 3.889 4.600 . 0 0 "[ . 1 . 2]" 1
1173 1 76 HIS HB2 1 77 ALA H . . 4.200 3.948 3.764 4.183 . 0 0 "[ . 1 . 2]" 1
1174 1 76 HIS HB3 1 77 ALA H . . 3.570 2.633 2.346 3.035 . 0 0 "[ . 1 . 2]" 1
1175 1 76 HIS HB3 1 77 ALA MB . . 4.480 4.010 3.811 4.243 . 0 0 "[ . 1 . 2]" 1
1176 1 77 ALA H 1 77 ALA MB . . 2.940 2.152 2.026 2.286 . 0 0 "[ . 1 . 2]" 1
1177 1 77 ALA H 1 78 GLN H . . 3.670 2.703 2.319 2.936 . 0 0 "[ . 1 . 2]" 1
1178 1 77 ALA H 1 78 GLN QG . . 4.820 4.441 4.068 4.670 . 0 0 "[ . 1 . 2]" 1
1179 1 77 ALA HA 1 80 VAL H . . 3.920 3.787 3.556 3.907 . 0 0 "[ . 1 . 2]" 1
1180 1 77 ALA HA 1 80 VAL HB . . 3.510 3.007 2.684 3.256 . 0 0 "[ . 1 . 2]" 1
1181 1 77 ALA HA 1 80 VAL MG1 . . 4.540 4.252 3.986 4.515 . 0 0 "[ . 1 . 2]" 1
1182 1 77 ALA HA 1 80 VAL QG . . 3.370 3.024 2.781 3.344 . 0 0 "[ . 1 . 2]" 1
1183 1 77 ALA HA 1 80 VAL MG2 . . 4.540 3.099 2.814 3.472 . 0 0 "[ . 1 . 2]" 1
1184 1 77 ALA HA 1 81 GLU H . . 4.660 4.227 3.579 4.605 . 0 0 "[ . 1 . 2]" 1
1185 1 77 ALA MB 1 78 GLN H . . 3.420 2.489 2.151 2.817 . 0 0 "[ . 1 . 2]" 1
1186 1 77 ALA MB 1 78 GLN HB2 . . 4.650 4.509 4.386 4.651 0.001 15 0 "[ . 1 . 2]" 1
1187 1 77 ALA MB 1 78 GLN QG . . 4.050 3.329 3.141 3.622 . 0 0 "[ . 1 . 2]" 1
1188 1 77 ALA MB 1 80 VAL HB . . 4.550 4.334 4.101 4.498 . 0 0 "[ . 1 . 2]" 1
1189 1 78 GLN H 1 78 GLN HB2 . . 3.740 2.435 2.292 2.651 . 0 0 "[ . 1 . 2]" 1
1190 1 78 GLN H 1 78 GLN HB3 . . 3.850 3.580 3.554 3.618 . 0 0 "[ . 1 . 2]" 1
1191 1 78 GLN H 1 78 GLN QE . . 4.760 4.231 2.803 4.761 0.001 15 0 "[ . 1 . 2]" 1
1192 1 78 GLN H 1 78 GLN QG . . 3.010 2.316 2.015 2.616 . 0 0 "[ . 1 . 2]" 1
1193 1 78 GLN H 1 79 ALA H . . 3.280 2.874 2.531 3.154 . 0 0 "[ . 1 . 2]" 1
1194 1 78 GLN H 1 79 ALA MB . . 5.340 4.379 4.122 4.615 . 0 0 "[ . 1 . 2]" 1
1195 1 78 GLN H 1 80 VAL H . . 4.730 4.262 3.822 4.712 . 0 0 "[ . 1 . 2]" 1
1196 1 78 GLN H 1 81 GLU QB . . 5.160 4.776 4.432 5.078 . 0 0 "[ . 1 . 2]" 1
1197 1 78 GLN HA 1 78 GLN QG . . 3.630 2.745 2.231 3.007 . 0 0 "[ . 1 . 2]" 1
1198 1 78 GLN HA 1 81 GLU H . . 3.960 3.503 3.108 3.898 . 0 0 "[ . 1 . 2]" 1
1199 1 78 GLN HA 1 81 GLU QB . . 3.450 2.731 2.388 3.397 . 0 0 "[ . 1 . 2]" 1
1200 1 78 GLN HA 1 81 GLU QG . . 4.850 4.246 2.511 4.767 . 0 0 "[ . 1 . 2]" 1
1201 1 78 GLN HB2 1 79 ALA H . . 3.960 2.347 2.119 2.751 . 0 0 "[ . 1 . 2]" 1
1202 1 78 GLN HB2 1 79 ALA MB . . 4.840 3.958 3.767 4.091 . 0 0 "[ . 1 . 2]" 1
1203 1 78 GLN HB3 1 79 ALA H . . 3.580 3.245 2.953 3.548 . 0 0 "[ . 1 . 2]" 1
1204 1 78 GLN HB3 1 79 ALA MB . . 4.980 4.607 4.381 4.804 . 0 0 "[ . 1 . 2]" 1
1205 1 78 GLN QG 1 79 ALA H . . 4.700 4.001 3.837 4.270 . 0 0 "[ . 1 . 2]" 1
1206 1 79 ALA H 1 79 ALA MB . . 2.990 2.157 2.027 2.242 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ALA H 1 80 VAL H . . 3.380 2.906 2.594 3.116 . 0 0 "[ . 1 . 2]" 1
1208 1 79 ALA H 1 80 VAL QG . . 4.630 4.311 4.046 4.457 . 0 0 "[ . 1 . 2]" 1
1209 1 79 ALA H 1 82 ARG H . . 5.500 4.940 4.742 5.148 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ALA HA 1 81 GLU H . . 5.440 4.577 4.108 5.160 . 0 0 "[ . 1 . 2]" 1
1211 1 79 ALA HA 1 82 ARG H . . 3.920 3.702 3.354 3.915 . 0 0 "[ . 1 . 2]" 1
1212 1 79 ALA HA 1 82 ARG HB2 . . 3.830 3.152 2.771 3.447 . 0 0 "[ . 1 . 2]" 1
1213 1 79 ALA HA 1 82 ARG HB3 . . 5.230 4.637 4.333 4.911 . 0 0 "[ . 1 . 2]" 1
1214 1 79 ALA HA 1 82 ARG HG2 . . 4.390 3.387 2.652 3.772 . 0 0 "[ . 1 . 2]" 1
1215 1 79 ALA HA 1 82 ARG QG . . 3.590 2.932 2.347 3.199 . 0 0 "[ . 1 . 2]" 1
1216 1 79 ALA HA 1 82 ARG HG3 . . 4.390 3.249 2.617 3.778 . 0 0 "[ . 1 . 2]" 1
1217 1 79 ALA HA 1 83 ILE H . . 4.940 4.698 4.324 4.941 0.001 8 0 "[ . 1 . 2]" 1
1218 1 79 ALA HA 1 83 ILE QG . . 5.340 4.392 4.161 4.826 . 0 0 "[ . 1 . 2]" 1
1219 1 79 ALA MB 1 80 VAL H . . 3.300 2.554 2.274 3.026 . 0 0 "[ . 1 . 2]" 1
1220 1 79 ALA MB 1 80 VAL HA . . 4.320 3.764 3.578 3.973 . 0 0 "[ . 1 . 2]" 1
1221 1 79 ALA MB 1 80 VAL HB . . 4.740 4.609 4.410 4.717 . 0 0 "[ . 1 . 2]" 1
1222 1 79 ALA MB 1 81 GLU H . . 5.410 4.569 4.275 4.940 . 0 0 "[ . 1 . 2]" 1
1223 1 79 ALA MB 1 83 ILE MD . . 3.930 3.447 2.576 3.892 . 0 0 "[ . 1 . 2]" 1
1224 1 80 VAL H 1 80 VAL HB . . 3.050 2.527 2.408 2.633 . 0 0 "[ . 1 . 2]" 1
1225 1 80 VAL H 1 80 VAL MG1 . . 3.910 3.761 3.740 3.769 . 0 0 "[ . 1 . 2]" 1
1226 1 80 VAL H 1 80 VAL QG . . 2.930 2.198 1.979 2.670 . 0 0 "[ . 1 . 2]" 1
1227 1 80 VAL H 1 80 VAL MG2 . . 3.910 2.216 1.986 2.734 . 0 0 "[ . 1 . 2]" 1
1228 1 80 VAL H 1 81 GLU H . . 3.320 2.711 2.263 2.993 . 0 0 "[ . 1 . 2]" 1
1229 1 80 VAL H 1 82 ARG H . . 5.080 4.188 3.802 4.729 . 0 0 "[ . 1 . 2]" 1
1230 1 80 VAL H 1 83 ILE MD . . 4.910 4.323 3.709 4.835 . 0 0 "[ . 1 . 2]" 1
1231 1 80 VAL HA 1 80 VAL MG1 . . 3.260 2.411 2.236 2.498 . 0 0 "[ . 1 . 2]" 1
1232 1 80 VAL HA 1 80 VAL QG . . 2.830 2.121 2.041 2.173 . 0 0 "[ . 1 . 2]" 1
1233 1 80 VAL HA 1 80 VAL MG2 . . 3.260 2.363 2.176 2.484 . 0 0 "[ . 1 . 2]" 1
1234 1 80 VAL HA 1 82 ARG H . . 4.800 4.325 3.746 4.798 . 0 0 "[ . 1 . 2]" 1
1235 1 80 VAL HA 1 83 ILE H . . 4.350 3.526 3.275 3.860 . 0 0 "[ . 1 . 2]" 1
1236 1 80 VAL HA 1 83 ILE HB . . 3.710 3.330 2.779 3.713 0.003 8 0 "[ . 1 . 2]" 1
1237 1 80 VAL HA 1 83 ILE MD . . 3.350 2.394 1.948 3.357 0.007 8 0 "[ . 1 . 2]" 1
1238 1 80 VAL HA 1 83 ILE QG . . 4.220 2.997 1.955 3.654 . 0 0 "[ . 1 . 2]" 1
1239 1 80 VAL HB 1 81 GLU H . . 3.710 2.551 2.083 2.943 . 0 0 "[ . 1 . 2]" 1
1240 1 80 VAL HB 1 81 GLU HA . . 4.900 4.249 4.088 4.415 . 0 0 "[ . 1 . 2]" 1
1241 1 80 VAL QG 1 81 GLU HA . . 4.290 3.387 3.157 3.780 . 0 0 "[ . 1 . 2]" 1
1242 1 80 VAL MG1 1 81 GLU H . . 4.010 3.356 2.927 3.838 . 0 0 "[ . 1 . 2]" 1
1243 1 80 VAL MG2 1 81 GLU H . . 4.010 3.835 3.645 3.993 . 0 0 "[ . 1 . 2]" 1
1244 1 81 GLU H 1 81 GLU QB . . 2.930 2.205 2.128 2.272 . 0 0 "[ . 1 . 2]" 1
1245 1 81 GLU H 1 81 GLU QG . . 4.020 3.847 2.680 4.052 0.032 10 0 "[ . 1 . 2]" 1
1246 1 81 GLU H 1 82 ARG H . . 3.380 2.752 2.471 3.056 . 0 0 "[ . 1 . 2]" 1
1247 1 81 GLU HA 1 81 GLU QG . . 3.530 2.563 2.192 3.434 . 0 0 "[ . 1 . 2]" 1
1248 1 81 GLU HA 1 84 ARG H . . 4.030 3.648 3.288 3.909 . 0 0 "[ . 1 . 2]" 1
1249 1 81 GLU HA 1 84 ARG QB . . 3.550 3.132 2.700 3.552 0.002 13 0 "[ . 1 . 2]" 1
1250 1 81 GLU HA 1 84 ARG QG . . 4.200 3.121 2.156 4.068 . 0 0 "[ . 1 . 2]" 1
1251 1 81 GLU HA 1 85 ALA H . . 4.690 3.956 3.680 4.325 . 0 0 "[ . 1 . 2]" 1
1252 1 81 GLU QB 1 82 ARG H . . 3.490 2.676 2.236 3.454 . 0 0 "[ . 1 . 2]" 1
1253 1 81 GLU QG 1 82 ARG H . . 4.310 3.654 1.918 4.308 . 0 0 "[ . 1 . 2]" 1
1254 1 81 GLU QG 1 82 ARG HA . . 5.120 3.927 2.920 5.056 . 0 0 "[ . 1 . 2]" 1
1255 1 81 GLU QG 1 84 ARG H . . 5.350 5.156 4.917 5.342 . 0 0 "[ . 1 . 2]" 1
1256 1 81 GLU QG 1 85 ALA MB . . 4.370 3.264 2.640 4.364 . 0 0 "[ . 1 . 2]" 1
1257 1 82 ARG H 1 82 ARG HB2 . . 3.220 2.500 2.423 2.633 . 0 0 "[ . 1 . 2]" 1
1258 1 82 ARG H 1 82 ARG HB3 . . 4.100 3.592 3.580 3.613 . 0 0 "[ . 1 . 2]" 1
1259 1 82 ARG H 1 82 ARG HD2 . . 4.770 4.205 3.291 4.768 . 0 0 "[ . 1 . 2]" 1
1260 1 82 ARG H 1 82 ARG HD3 . . 4.770 4.317 3.443 4.701 . 0 0 "[ . 1 . 2]" 1
1261 1 82 ARG H 1 82 ARG HG2 . . 3.880 2.201 1.935 2.448 . 0 0 "[ . 1 . 2]" 1
1262 1 82 ARG H 1 82 ARG HG3 . . 3.880 3.559 3.344 3.738 . 0 0 "[ . 1 . 2]" 1
1263 1 82 ARG H 1 83 ILE H . . 3.450 2.717 2.366 2.966 . 0 0 "[ . 1 . 2]" 1
1264 1 82 ARG H 1 84 ARG H . . 5.500 4.483 4.073 5.038 . 0 0 "[ . 1 . 2]" 1
1265 1 82 ARG H 1 85 ALA H . . 5.500 4.831 4.718 4.966 . 0 0 "[ . 1 . 2]" 1
1266 1 82 ARG H 1 85 ALA MB . . 4.910 4.685 4.415 4.913 0.003 13 0 "[ . 1 . 2]" 1
1267 1 82 ARG HA 1 82 ARG HD2 . . 3.970 3.005 2.003 3.896 . 0 0 "[ . 1 . 2]" 1
1268 1 82 ARG HA 1 82 ARG QD . . 3.440 2.396 1.993 2.956 . 0 0 "[ . 1 . 2]" 1
1269 1 82 ARG HA 1 82 ARG HD3 . . 3.970 3.067 2.019 3.934 . 0 0 "[ . 1 . 2]" 1
1270 1 82 ARG HA 1 82 ARG HG2 . . 4.030 2.966 2.720 3.144 . 0 0 "[ . 1 . 2]" 1
1271 1 82 ARG HA 1 82 ARG HG3 . . 4.030 3.759 3.689 3.822 . 0 0 "[ . 1 . 2]" 1
1272 1 82 ARG HA 1 85 ALA H . . 3.960 3.777 3.372 3.961 0.001 16 0 "[ . 1 . 2]" 1
1273 1 82 ARG HA 1 85 ALA MB . . 3.340 2.932 2.675 3.317 . 0 0 "[ . 1 . 2]" 1
1274 1 82 ARG HA 1 86 GLY H . . 5.460 4.269 3.828 5.109 . 0 0 "[ . 1 . 2]" 1
1275 1 82 ARG HB2 1 83 ILE H . . 4.200 2.636 2.244 3.001 . 0 0 "[ . 1 . 2]" 1
1276 1 82 ARG HB3 1 82 ARG QD . . 3.480 2.533 2.112 3.023 . 0 0 "[ . 1 . 2]" 1
1277 1 82 ARG QD 1 83 ILE H . . 5.340 5.042 4.746 5.237 . 0 0 "[ . 1 . 2]" 1
1278 1 82 ARG QD 1 85 ALA MB . . 4.620 4.178 3.765 4.554 . 0 0 "[ . 1 . 2]" 1
1279 1 82 ARG QG 1 83 ILE H . . 5.340 4.050 3.862 4.347 . 0 0 "[ . 1 . 2]" 1
1280 1 83 ILE H 1 83 ILE HB . . 3.120 2.654 2.571 2.854 . 0 0 "[ . 1 . 2]" 1
1281 1 83 ILE H 1 83 ILE MD . . 3.640 3.286 2.169 3.603 . 0 0 "[ . 1 . 2]" 1
1282 1 83 ILE H 1 83 ILE HG12 . . 3.700 3.161 1.897 3.539 . 0 0 "[ . 1 . 2]" 1
1283 1 83 ILE H 1 83 ILE QG . . 3.000 1.936 1.881 2.038 . 0 0 "[ . 1 . 2]" 1
1284 1 83 ILE H 1 83 ILE HG13 . . 3.700 2.104 1.900 3.450 . 0 0 "[ . 1 . 2]" 1
1285 1 83 ILE H 1 83 ILE MG . . 4.000 3.764 3.711 3.788 . 0 0 "[ . 1 . 2]" 1
1286 1 83 ILE H 1 84 ARG H . . 3.370 2.791 2.555 2.998 . 0 0 "[ . 1 . 2]" 1
1287 1 83 ILE H 1 84 ARG HA . . 5.500 5.353 5.164 5.501 0.001 4 0 "[ . 1 . 2]" 1
1288 1 83 ILE H 1 84 ARG QG . . 5.340 4.563 4.085 4.955 . 0 0 "[ . 1 . 2]" 1
1289 1 83 ILE H 1 85 ALA H . . 4.640 4.153 3.786 4.467 . 0 0 "[ . 1 . 2]" 1
1290 1 83 ILE H 1 86 GLY QA . . 5.500 5.344 5.178 5.475 . 0 0 "[ . 1 . 2]" 1
1291 1 83 ILE HA 1 83 ILE HG12 . . 4.040 2.762 2.496 3.470 . 0 0 "[ . 1 . 2]" 1
1292 1 83 ILE HA 1 83 ILE QG . . 3.360 2.564 2.394 3.208 . 0 0 "[ . 1 . 2]" 1
1293 1 83 ILE HA 1 83 ILE HG13 . . 4.040 3.077 2.758 3.785 . 0 0 "[ . 1 . 2]" 1
1294 1 83 ILE HA 1 83 ILE MG . . 3.320 2.330 2.185 2.444 . 0 0 "[ . 1 . 2]" 1
1295 1 83 ILE HA 1 85 ALA H . . 4.760 4.574 4.051 4.763 0.003 15 0 "[ . 1 . 2]" 1
1296 1 83 ILE HA 1 86 GLY H . . 4.400 3.450 3.194 3.636 . 0 0 "[ . 1 . 2]" 1
1297 1 83 ILE HA 1 86 GLY QA . . 4.860 3.471 3.238 3.631 . 0 0 "[ . 1 . 2]" 1
1298 1 83 ILE HA 1 92 LEU MD2 . . 3.730 3.663 3.351 3.733 0.003 11 0 "[ . 1 . 2]" 1
1299 1 83 ILE HB 1 83 ILE MD . . 3.250 2.403 2.136 3.210 . 0 0 "[ . 1 . 2]" 1
1300 1 83 ILE HB 1 84 ARG H . . 3.710 2.289 1.933 2.635 . 0 0 "[ . 1 . 2]" 1
1301 1 83 ILE HB 1 84 ARG HA . . 5.000 4.086 3.895 4.200 . 0 0 "[ . 1 . 2]" 1
1302 1 83 ILE HB 1 92 LEU MD2 . . 4.540 4.348 4.100 4.541 0.001 14 0 "[ . 1 . 2]" 1
1303 1 83 ILE MD 1 83 ILE MG . . 2.940 2.153 1.909 2.424 . 0 0 "[ . 1 . 2]" 1
1304 1 83 ILE MD 1 84 ARG H . . 4.410 4.174 3.948 4.385 . 0 0 "[ . 1 . 2]" 1
1305 1 83 ILE MD 1 90 LEU MD1 . . 3.670 3.379 2.932 3.664 . 0 0 "[ . 1 . 2]" 1
1306 1 83 ILE QG 1 90 LEU MD1 . . 4.980 3.880 3.398 4.329 . 0 0 "[ . 1 . 2]" 1
1307 1 83 ILE QG 1 92 LEU MD2 . . 3.820 2.141 1.818 3.181 . 0 0 "[ . 1 . 2]" 1
1308 1 83 ILE MG 1 84 ARG H . . 3.860 3.364 3.101 3.823 . 0 0 "[ . 1 . 2]" 1
1309 1 83 ILE MG 1 84 ARG HA . . 4.120 3.582 3.349 4.040 . 0 0 "[ . 1 . 2]" 1
1310 1 83 ILE MG 1 86 GLY H . . 4.910 4.406 4.143 4.694 . 0 0 "[ . 1 . 2]" 1
1311 1 83 ILE MG 1 90 LEU MD1 . . 3.280 2.140 1.863 2.442 . 0 0 "[ . 1 . 2]" 1
1312 1 84 ARG H 1 84 ARG QB . . 2.860 2.311 2.169 2.523 . 0 0 "[ . 1 . 2]" 1
1313 1 84 ARG H 1 84 ARG HG2 . . 4.360 2.712 2.072 3.585 . 0 0 "[ . 1 . 2]" 1
1314 1 84 ARG H 1 84 ARG QG . . 3.660 2.492 2.054 2.812 . 0 0 "[ . 1 . 2]" 1
1315 1 84 ARG H 1 84 ARG HG3 . . 4.360 3.430 2.308 3.907 . 0 0 "[ . 1 . 2]" 1
1316 1 84 ARG H 1 85 ALA H . . 3.430 2.799 2.599 2.943 . 0 0 "[ . 1 . 2]" 1
1317 1 84 ARG H 1 85 ALA MB . . 4.690 4.440 4.210 4.601 . 0 0 "[ . 1 . 2]" 1
1318 1 84 ARG HA 1 84 ARG HG2 . . 3.900 3.105 2.258 3.862 . 0 0 "[ . 1 . 2]" 1
1319 1 84 ARG HA 1 84 ARG QG . . 3.370 2.845 2.218 3.329 . 0 0 "[ . 1 . 2]" 1
1320 1 84 ARG HA 1 84 ARG HG3 . . 3.900 3.557 2.910 3.845 . 0 0 "[ . 1 . 2]" 1
1321 1 84 ARG QB 1 84 ARG QD . . 3.220 2.287 2.036 2.616 . 0 0 "[ . 1 . 2]" 1
1322 1 84 ARG QB 1 85 ALA H . . 3.760 2.800 2.367 3.561 . 0 0 "[ . 1 . 2]" 1
1323 1 84 ARG QB 1 85 ALA MB . . 4.550 3.968 3.604 4.501 . 0 0 "[ . 1 . 2]" 1
1324 1 84 ARG HB2 1 85 ALA MB . . 5.270 4.325 3.737 5.052 . 0 0 "[ . 1 . 2]" 1
1325 1 84 ARG HB2 1 86 GLY H . . 5.500 4.961 4.551 5.471 . 0 0 "[ . 1 . 2]" 1
1326 1 84 ARG HB3 1 85 ALA MB . . 5.270 4.670 4.291 5.053 . 0 0 "[ . 1 . 2]" 1
1327 1 84 ARG HB3 1 86 GLY H . . 5.500 5.204 4.890 5.371 . 0 0 "[ . 1 . 2]" 1
1328 1 84 ARG QG 1 85 ALA H . . 4.120 3.308 1.891 4.119 . 0 0 "[ . 1 . 2]" 1
1329 1 85 ALA H 1 85 ALA MB . . 2.930 2.153 2.027 2.251 . 0 0 "[ . 1 . 2]" 1
1330 1 85 ALA H 1 86 GLY H . . 3.380 2.540 2.313 2.662 . 0 0 "[ . 1 . 2]" 1
1331 1 85 ALA HA 1 87 GLY H . . 4.460 3.690 3.145 4.100 . 0 0 "[ . 1 . 2]" 1
1332 1 85 ALA MB 1 86 GLY H . . 3.670 3.042 2.716 3.446 . 0 0 "[ . 1 . 2]" 1
1333 1 85 ALA MB 1 86 GLY QA . . 4.690 3.703 3.570 3.834 . 0 0 "[ . 1 . 2]" 1
1334 1 85 ALA MB 1 87 GLY H . . 4.920 4.458 4.123 4.804 . 0 0 "[ . 1 . 2]" 1
1335 1 86 GLY H 1 87 GLY H . . 3.440 2.860 2.605 3.070 . 0 0 "[ . 1 . 2]" 1
1336 1 86 GLY QA 1 87 GLY H . . 3.530 2.776 2.654 2.883 . 0 0 "[ . 1 . 2]" 1
1337 1 87 GLY H 1 88 PRO QD . . 4.650 4.370 4.347 4.381 . 0 0 "[ . 1 . 2]" 1
1338 1 87 GLY QA 1 88 PRO QD . . 2.790 1.901 1.880 1.912 . 0 0 "[ . 1 . 2]" 1
1339 1 87 GLY QA 1 88 PRO QG . . 4.340 3.657 3.651 3.660 . 0 0 "[ . 1 . 2]" 1
1340 1 87 GLY QA 1 89 GLN H . . 4.050 3.186 3.059 3.343 . 0 0 "[ . 1 . 2]" 1
1341 1 87 GLY HA2 1 88 PRO HD2 . . 3.710 3.159 3.130 3.219 . 0 0 "[ . 1 . 2]" 1
1342 1 87 GLY HA2 1 88 PRO HD3 . . 3.710 2.870 2.840 2.937 . 0 0 "[ . 1 . 2]" 1
1343 1 87 GLY HA2 1 88 PRO QG . . 4.980 4.568 4.543 4.621 . 0 0 "[ . 1 . 2]" 1
1344 1 87 GLY HA3 1 88 PRO HD2 . . 3.710 1.990 1.961 2.005 . 0 0 "[ . 1 . 2]" 1
1345 1 87 GLY HA3 1 88 PRO HD3 . . 3.710 2.762 2.700 2.792 . 0 0 "[ . 1 . 2]" 1
1346 1 87 GLY HA3 1 88 PRO QG . . 4.980 3.848 3.824 3.859 . 0 0 "[ . 1 . 2]" 1
1347 1 88 PRO QD 1 89 GLN H . . 3.650 2.659 2.605 2.802 . 0 0 "[ . 1 . 2]" 1
1348 1 88 PRO HD2 1 89 GLN H . . 4.250 2.708 2.650 2.866 . 0 0 "[ . 1 . 2]" 1
1349 1 88 PRO HD3 1 89 GLN H . . 4.250 3.875 3.841 3.958 . 0 0 "[ . 1 . 2]" 1
1350 1 88 PRO QG 1 89 GLN H . . 3.270 2.666 2.407 3.034 . 0 0 "[ . 1 . 2]" 1
1351 1 89 GLN H 1 89 GLN QB . . 3.550 2.382 2.277 2.603 . 0 0 "[ . 1 . 2]" 1
1352 1 89 GLN H 1 89 GLN QG . . 3.690 3.222 2.715 3.690 0.000 2 0 "[ . 1 . 2]" 1
1353 1 89 GLN H 1 90 LEU H . . 4.670 4.427 4.307 4.560 . 0 0 "[ . 1 . 2]" 1
1354 1 89 GLN HA 1 89 GLN QG . . 3.670 2.339 2.182 2.541 . 0 0 "[ . 1 . 2]" 1
1355 1 89 GLN HA 1 90 LEU H . . 2.930 2.171 2.144 2.295 . 0 0 "[ . 1 . 2]" 1
1356 1 89 GLN QB 1 89 GLN HE22 . . 5.030 4.022 3.295 4.354 . 0 0 "[ . 1 . 2]" 1
1357 1 89 GLN QB 1 90 LEU H . . 3.760 3.145 2.707 3.324 . 0 0 "[ . 1 . 2]" 1
1358 1 89 GLN QG 1 90 LEU H . . 4.310 3.957 3.508 4.307 . 0 0 "[ . 1 . 2]" 1
1359 1 90 LEU H 1 90 LEU HB2 . . 3.810 3.148 3.020 3.368 . 0 0 "[ . 1 . 2]" 1
1360 1 90 LEU H 1 90 LEU QB . . 3.260 2.225 2.164 2.369 . 0 0 "[ . 1 . 2]" 1
1361 1 90 LEU H 1 90 LEU HB3 . . 3.810 2.276 2.204 2.421 . 0 0 "[ . 1 . 2]" 1
1362 1 90 LEU H 1 90 LEU MD1 . . 4.610 4.450 4.393 4.512 . 0 0 "[ . 1 . 2]" 1
1363 1 90 LEU H 1 90 LEU MD2 . . 4.880 3.439 3.260 3.746 . 0 0 "[ . 1 . 2]" 1
1364 1 90 LEU H 1 90 LEU HG . . 4.720 4.479 4.420 4.580 . 0 0 "[ . 1 . 2]" 1
1365 1 90 LEU QB 1 91 HIS H . . 4.390 3.592 3.409 3.718 . 0 0 "[ . 1 . 2]" 1
1366 1 90 LEU MD1 1 92 LEU HG . . 3.950 2.837 2.455 3.181 . 0 0 "[ . 1 . 2]" 1
1367 1 90 LEU MD2 1 91 HIS H . . 3.660 3.378 2.544 3.632 . 0 0 "[ . 1 . 2]" 1
1368 1 90 LEU MD2 1 91 HIS QB . . 5.500 4.308 3.790 4.507 . 0 0 "[ . 1 . 2]" 1
1369 1 90 LEU MD2 1 92 LEU H . . 4.310 2.844 2.376 3.103 . 0 0 "[ . 1 . 2]" 1
1370 1 90 LEU MD2 1 92 LEU HG . . 3.290 2.182 1.924 2.440 . 0 0 "[ . 1 . 2]" 1
1371 1 90 LEU HG 1 91 HIS H . . 4.230 2.524 1.996 2.736 . 0 0 "[ . 1 . 2]" 1
1372 1 90 LEU HG 1 92 LEU H . . 5.280 4.092 3.773 4.654 . 0 0 "[ . 1 . 2]" 1
1373 1 90 LEU HG 1 92 LEU HG . . 3.880 2.312 2.101 2.769 . 0 0 "[ . 1 . 2]" 1
1374 1 91 HIS H 1 91 HIS QB . . 3.320 2.640 2.583 2.775 . 0 0 "[ . 1 . 2]" 1
1375 1 91 HIS H 1 91 HIS HD2 . . 5.500 5.302 5.143 5.497 . 0 0 "[ . 1 . 2]" 1
1376 1 91 HIS H 1 92 LEU MD2 . . 3.920 3.215 2.581 3.661 . 0 0 "[ . 1 . 2]" 1
1377 1 91 HIS HA 1 92 LEU H . . 2.920 2.149 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
1378 1 91 HIS QB 1 92 LEU H . . 4.160 3.858 3.768 3.927 . 0 0 "[ . 1 . 2]" 1
1379 1 91 HIS QB 1 92 LEU MD2 . . 5.500 4.246 3.902 4.594 . 0 0 "[ . 1 . 2]" 1
1380 1 91 HIS HD2 1 92 LEU H . . 4.700 4.512 3.922 4.699 . 0 0 "[ . 1 . 2]" 1
1381 1 91 HIS HE1 1 93 VAL MG2 . . 3.510 3.272 2.605 3.505 . 0 0 "[ . 1 . 2]" 1
1382 1 92 LEU H 1 92 LEU HB2 . . 3.680 2.811 2.644 2.967 . 0 0 "[ . 1 . 2]" 1
1383 1 92 LEU H 1 92 LEU HB3 . . 4.090 3.838 3.762 3.916 . 0 0 "[ . 1 . 2]" 1
1384 1 92 LEU H 1 92 LEU MD1 . . 4.300 4.017 3.705 4.160 . 0 0 "[ . 1 . 2]" 1
1385 1 92 LEU H 1 92 LEU MD2 . . 4.910 3.639 3.355 3.846 . 0 0 "[ . 1 . 2]" 1
1386 1 92 LEU H 1 92 LEU HG . . 3.850 2.782 2.663 2.915 . 0 0 "[ . 1 . 2]" 1
1387 1 92 LEU HA 1 92 LEU MD1 . . 4.220 3.926 3.878 4.003 . 0 0 "[ . 1 . 2]" 1
1388 1 92 LEU HA 1 92 LEU MD2 . . 3.180 2.154 2.018 2.376 . 0 0 "[ . 1 . 2]" 1
1389 1 92 LEU HA 1 93 VAL H . . 2.990 2.179 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
1390 1 92 LEU HA 1 93 VAL MG2 . . 4.450 3.428 3.339 3.550 . 0 0 "[ . 1 . 2]" 1
1391 1 92 LEU HB2 1 92 LEU MD1 . . 3.440 2.299 2.151 2.435 . 0 0 "[ . 1 . 2]" 1
1392 1 92 LEU HB2 1 93 VAL H . . 4.550 3.962 3.750 4.146 . 0 0 "[ . 1 . 2]" 1
1393 1 92 LEU HB2 1 94 ILE HG12 . . 4.840 3.326 3.156 3.604 . 0 0 "[ . 1 . 2]" 1
1394 1 92 LEU HB3 1 92 LEU MD1 . . 3.480 2.387 2.227 2.558 . 0 0 "[ . 1 . 2]" 1
1395 1 92 LEU HB3 1 92 LEU MD2 . . 3.150 2.314 2.196 2.446 . 0 0 "[ . 1 . 2]" 1
1396 1 92 LEU HB3 1 93 VAL H . . 4.060 3.149 2.860 3.431 . 0 0 "[ . 1 . 2]" 1
1397 1 92 LEU HB3 1 94 ILE HG12 . . 4.330 3.618 3.438 3.923 . 0 0 "[ . 1 . 2]" 1
1398 1 92 LEU MD1 1 93 VAL H . . 5.500 5.031 4.782 5.253 . 0 0 "[ . 1 . 2]" 1
1399 1 92 LEU MD2 1 93 VAL H . . 4.010 3.758 3.481 3.970 . 0 0 "[ . 1 . 2]" 1
1400 1 93 VAL H 1 93 VAL HB . . 3.610 2.706 2.625 2.756 . 0 0 "[ . 1 . 2]" 1
1401 1 93 VAL H 1 93 VAL MG1 . . 4.340 3.821 3.778 3.851 . 0 0 "[ . 1 . 2]" 1
1402 1 93 VAL H 1 93 VAL MG2 . . 3.650 2.227 2.065 2.338 . 0 0 "[ . 1 . 2]" 1
1403 1 93 VAL H 1 94 ILE H . . 4.950 4.342 4.289 4.442 . 0 0 "[ . 1 . 2]" 1
1404 1 93 VAL HA 1 93 VAL MG1 . . 3.320 2.231 2.120 2.340 . 0 0 "[ . 1 . 2]" 1
1405 1 93 VAL HA 1 93 VAL MG2 . . 3.300 2.470 2.400 2.505 . 0 0 "[ . 1 . 2]" 1
1406 1 93 VAL HA 1 94 ILE H . . 3.000 2.148 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
1407 1 93 VAL HA 1 94 ILE HB . . 4.900 4.689 4.577 4.785 . 0 0 "[ . 1 . 2]" 1
1408 1 93 VAL HA 1 94 ILE MD . . 5.450 4.589 4.245 4.956 . 0 0 "[ . 1 . 2]" 1
1409 1 93 VAL HA 1 94 ILE HG12 . . 4.820 3.891 3.652 4.173 . 0 0 "[ . 1 . 2]" 1
1410 1 93 VAL MG1 1 94 ILE H . . 3.370 2.893 2.719 3.103 . 0 0 "[ . 1 . 2]" 1
1411 1 93 VAL MG1 1 94 ILE HA . . 4.810 3.987 3.766 4.203 . 0 0 "[ . 1 . 2]" 1
1412 1 93 VAL MG2 1 94 ILE H . . 4.490 4.267 4.175 4.304 . 0 0 "[ . 1 . 2]" 1
1413 1 94 ILE H 1 94 ILE HB . . 3.390 2.666 2.518 2.773 . 0 0 "[ . 1 . 2]" 1
1414 1 94 ILE H 1 94 ILE MD . . 4.300 3.759 3.534 3.972 . 0 0 "[ . 1 . 2]" 1
1415 1 94 ILE H 1 94 ILE HG12 . . 3.780 2.800 2.590 3.027 . 0 0 "[ . 1 . 2]" 1
1416 1 94 ILE H 1 94 ILE HG13 . . 4.480 4.105 3.803 4.330 . 0 0 "[ . 1 . 2]" 1
1417 1 94 ILE H 1 94 ILE MG . . 4.040 3.857 3.789 3.907 . 0 0 "[ . 1 . 2]" 1
1418 1 94 ILE HA 1 94 ILE MD . . 3.190 2.050 1.955 2.332 . 0 0 "[ . 1 . 2]" 1
1419 1 94 ILE HA 1 94 ILE MG . . 3.460 2.394 2.332 2.470 . 0 0 "[ . 1 . 2]" 1
1420 1 94 ILE HA 1 95 ARG H . . 2.990 2.248 2.160 2.293 . 0 0 "[ . 1 . 2]" 1
1421 1 94 ILE HB 1 95 ARG H . . 4.380 3.876 3.728 4.195 . 0 0 "[ . 1 . 2]" 1
1422 1 94 ILE MD 1 95 ARG H . . 4.150 3.409 3.181 3.750 . 0 0 "[ . 1 . 2]" 1
1423 1 94 ILE HG12 1 94 ILE MG . . 3.690 3.194 3.170 3.202 . 0 0 "[ . 1 . 2]" 1
1424 1 94 ILE HG13 1 94 ILE MG . . 3.610 2.415 2.274 2.578 . 0 0 "[ . 1 . 2]" 1
1425 1 94 ILE HG13 1 95 ARG H . . 5.500 5.105 4.899 5.269 . 0 0 "[ . 1 . 2]" 1
1426 1 94 ILE MG 1 95 ARG H . . 3.190 2.137 1.982 2.587 . 0 0 "[ . 1 . 2]" 1
1427 1 94 ILE MG 1 96 ARG H . . 4.420 3.474 3.121 4.244 . 0 0 "[ . 1 . 2]" 1
1428 1 94 ILE MG 1 96 ARG HA . . 4.880 3.726 3.454 3.997 . 0 0 "[ . 1 . 2]" 1
1429 1 94 ILE MG 1 96 ARG QB . . 5.110 4.175 3.784 4.504 . 0 0 "[ . 1 . 2]" 1
1430 1 95 ARG H 1 95 ARG QB . . 3.540 2.534 2.405 2.603 . 0 0 "[ . 1 . 2]" 1
1431 1 95 ARG H 1 95 ARG HG2 . . 4.610 4.290 4.164 4.637 0.027 17 0 "[ . 1 . 2]" 1
1432 1 95 ARG H 1 96 ARG H . . 4.780 3.997 3.816 4.462 . 0 0 "[ . 1 . 2]" 1
1433 1 95 ARG QB 1 95 ARG QD . . 3.370 2.151 2.083 2.333 . 0 0 "[ . 1 . 2]" 1
1434 1 95 ARG QB 1 96 ARG H . . 4.040 3.919 3.598 4.021 . 0 0 "[ . 1 . 2]" 1
1435 1 95 ARG HG2 1 96 ARG H . . 4.130 3.728 3.198 4.076 . 0 0 "[ . 1 . 2]" 1
1436 1 95 ARG HG3 1 96 ARG H . . 4.040 3.693 2.407 4.040 0.000 1 0 "[ . 1 . 2]" 1
1437 1 96 ARG H 1 96 ARG HB2 . . 3.630 2.383 2.181 2.711 . 0 0 "[ . 1 . 2]" 1
1438 1 96 ARG H 1 96 ARG QB . . 3.170 2.221 2.126 2.353 . 0 0 "[ . 1 . 2]" 1
1439 1 96 ARG H 1 96 ARG HB3 . . 3.630 2.792 2.385 3.569 . 0 0 "[ . 1 . 2]" 1
1440 1 96 ARG HA 1 96 ARG HG2 . . 4.210 3.051 2.487 3.843 . 0 0 "[ . 1 . 2]" 1
1441 1 96 ARG HA 1 96 ARG HG3 . . 4.210 2.613 2.272 2.900 . 0 0 "[ . 1 . 2]" 1
1442 1 96 ARG HA 1 97 PRO HD2 . . 3.390 1.978 1.912 2.191 . 0 0 "[ . 1 . 2]" 1
1443 1 96 ARG HA 1 97 PRO HD3 . . 3.410 2.359 2.252 2.496 . 0 0 "[ . 1 . 2]" 1
1444 1 96 ARG HA 1 97 PRO QG . . 4.640 3.785 3.766 3.879 . 0 0 "[ . 1 . 2]" 1
1445 1 96 ARG QB 1 96 ARG QD . . 3.240 2.235 2.063 2.581 . 0 0 "[ . 1 . 2]" 1
1446 1 96 ARG QB 1 96 ARG HE . . 3.910 3.031 1.994 3.892 . 0 0 "[ . 1 . 2]" 1
1447 1 96 ARG QB 1 97 PRO HD2 . . 4.790 3.679 3.132 3.961 . 0 0 "[ . 1 . 2]" 1
1448 1 96 ARG HB2 1 96 ARG HE . . 4.610 3.393 2.012 4.610 0.000 19 0 "[ . 1 . 2]" 1
1449 1 96 ARG HB3 1 96 ARG HE . . 4.610 3.752 2.470 4.475 . 0 0 "[ . 1 . 2]" 1
1450 1 96 ARG QD 1 96 ARG QH1 . . 3.530 1.950 1.877 1.997 . 0 0 "[ . 1 . 2]" 1
1451 1 96 ARG HE 1 96 ARG HG2 . . 3.950 2.975 2.266 3.948 . 0 0 "[ . 1 . 2]" 1
1452 1 96 ARG HE 1 96 ARG HG3 . . 3.950 2.979 2.236 3.975 0.025 16 0 "[ . 1 . 2]" 1
1453 1 96 ARG QG 1 97 PRO HD2 . . 3.790 2.619 1.849 3.565 . 0 0 "[ . 1 . 2]" 1
1454 1 96 ARG QG 1 97 PRO HD3 . . 4.420 3.907 3.238 4.395 . 0 0 "[ . 1 . 2]" 1
1455 1 96 ARG HG2 1 97 PRO HD2 . . 4.360 3.273 2.031 4.361 0.001 17 0 "[ . 1 . 2]" 1
1456 1 96 ARG HG3 1 97 PRO HD2 . . 4.360 2.990 1.991 4.324 . 0 0 "[ . 1 . 2]" 1
1457 1 97 PRO HA 1 98 LEU H . . 2.920 2.476 2.164 2.723 . 0 0 "[ . 1 . 2]" 1
1458 1 97 PRO HB2 1 98 LEU H . . 4.040 2.472 1.903 3.442 . 0 0 "[ . 1 . 2]" 1
1459 1 97 PRO HB3 1 98 LEU H . . 4.040 3.402 3.146 3.940 . 0 0 "[ . 1 . 2]" 1
1460 1 98 LEU H 1 98 LEU QB . . 3.170 2.351 2.157 3.101 . 0 0 "[ . 1 . 2]" 1
1461 1 98 LEU H 1 98 LEU MD1 . . 5.040 3.576 1.836 4.315 . 0 0 "[ . 1 . 2]" 1
1462 1 98 LEU H 1 98 LEU QD . . 4.380 2.956 1.687 3.785 . 0 0 "[ . 1 . 2]" 1
1463 1 98 LEU H 1 98 LEU MD2 . . 5.040 3.567 1.966 4.368 . 0 0 "[ . 1 . 2]" 1
1464 1 98 LEU H 1 98 LEU HG . . 5.210 3.869 2.070 4.943 . 0 0 "[ . 1 . 2]" 1
1465 1 98 LEU HA 1 98 LEU MD1 . . 4.260 3.094 2.101 4.129 . 0 0 "[ . 1 . 2]" 1
1466 1 98 LEU HA 1 98 LEU QD . . 3.260 2.565 2.005 3.287 0.027 9 0 "[ . 1 . 2]" 1
1467 1 98 LEU HA 1 98 LEU MD2 . . 4.260 3.148 2.056 4.094 . 0 0 "[ . 1 . 2]" 1
1468 1 98 LEU QB 1 99 SER H . . 4.510 3.079 1.932 3.950 . 0 0 "[ . 1 . 2]" 1
1469 1 98 LEU QD 1 99 SER H . . 5.440 3.387 2.423 4.590 . 0 0 "[ . 1 . 2]" 1
1470 1 99 SER QB 1 100 GLY H . . 4.940 3.096 2.123 3.893 . 0 0 "[ . 1 . 2]" 1
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