NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431556 |
2jqh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jqh
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 1593
_Distance_constraint_stats_list.Viol_count 402
_Distance_constraint_stats_list.Viol_total 10.208
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0013
_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 10 ASN 0.004 0.001 14 0 "[ . 1 . 2]"
1 11 LEU 0.001 0.001 16 0 "[ . 1 . 2]"
1 12 GLN 0.001 0.000 11 0 "[ . 1 . 2]"
1 13 LYS 0.004 0.002 16 0 "[ . 1 . 2]"
1 14 ALA 0.002 0.000 19 0 "[ . 1 . 2]"
1 15 ILE 0.003 0.001 7 0 "[ . 1 . 2]"
1 16 ASP 0.005 0.002 14 0 "[ . 1 . 2]"
1 17 LEU 0.012 0.002 16 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 14 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.001 0.000 8 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 10 0 "[ . 1 . 2]"
1 26 LYS 0.003 0.001 8 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.002 0.001 14 0 "[ . 1 . 2]"
1 30 TYR 0.007 0.003 17 0 "[ . 1 . 2]"
1 31 GLU 0.012 0.005 2 0 "[ . 1 . 2]"
1 32 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 33 ALA 0.002 0.001 14 0 "[ . 1 . 2]"
1 34 LEU 0.002 0.001 11 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.001 0.000 14 0 "[ . 1 . 2]"
1 37 TYR 0.006 0.001 8 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 14 0 "[ . 1 . 2]"
1 39 HIS 0.016 0.002 12 0 "[ . 1 . 2]"
1 40 ALA 0.001 0.001 14 0 "[ . 1 . 2]"
1 41 VAL 0.019 0.006 14 0 "[ . 1 . 2]"
1 42 GLN 0.001 0.001 9 0 "[ . 1 . 2]"
1 43 TYR 0.018 0.002 12 0 "[ . 1 . 2]"
1 44 PHE 0.019 0.003 11 0 "[ . 1 . 2]"
1 45 LEU 0.018 0.003 11 0 "[ . 1 . 2]"
1 46 HIS 0.003 0.001 12 0 "[ . 1 . 2]"
1 47 VAL 0.004 0.001 14 0 "[ . 1 . 2]"
1 48 VAL 0.002 0.001 3 0 "[ . 1 . 2]"
1 49 LYS 0.006 0.001 10 0 "[ . 1 . 2]"
1 50 TYR 0.009 0.002 10 0 "[ . 1 . 2]"
1 51 GLU 0.003 0.001 10 0 "[ . 1 . 2]"
1 52 ALA 0.006 0.001 10 0 "[ . 1 . 2]"
1 53 GLN 0.004 0.002 14 0 "[ . 1 . 2]"
1 54 GLY 0.004 0.002 14 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.004 0.001 11 0 "[ . 1 . 2]"
1 58 LYS 0.015 0.002 10 0 "[ . 1 . 2]"
1 59 GLN 0.007 0.002 5 0 "[ . 1 . 2]"
1 60 SER 0.012 0.002 10 0 "[ . 1 . 2]"
1 61 ILE 0.019 0.002 10 0 "[ . 1 . 2]"
1 62 ARG 0.006 0.005 15 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LYS 0.072 0.006 8 0 "[ . 1 . 2]"
1 65 CYS 0.005 0.005 15 0 "[ . 1 . 2]"
1 66 THR 0.049 0.006 8 0 "[ . 1 . 2]"
1 67 GLU 0.005 0.001 8 0 "[ . 1 . 2]"
1 68 TYR 0.010 0.002 11 0 "[ . 1 . 2]"
1 69 LEU 0.009 0.006 14 0 "[ . 1 . 2]"
1 70 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.004 0.001 14 0 "[ . 1 . 2]"
1 73 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.076 0.010 13 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 11 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.227 0.012 20 0 "[ . 1 . 2]"
1 79 LEU 0.169 0.012 20 0 "[ . 1 . 2]"
1 80 LYS 0.041 0.007 17 0 "[ . 1 . 2]"
1 81 ASN 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 39 HIS H 1 39 HIS HD2 4.160 . 4.160 3.329 3.206 3.463 . 0 0 "[ . 1 . 2]" 1
2 1 39 HIS HD2 1 43 TYR QE 4.850 . 4.850 4.805 4.566 4.851 0.001 8 0 "[ . 1 . 2]" 1
3 1 39 HIS HA 1 39 HIS HD2 3.480 . 3.480 2.251 2.168 2.338 . 0 0 "[ . 1 . 2]" 1
4 1 36 LEU HA 1 39 HIS HD2 5.500 . 5.500 5.412 5.290 5.500 0.000 20 0 "[ . 1 . 2]" 1
5 1 38 GLN HB2 1 39 HIS HD2 4.120 . 4.120 3.792 3.660 4.067 . 0 0 "[ . 1 . 2]" 1
6 1 39 HIS HD2 1 42 GLN HB2 4.250 . 4.250 4.183 3.980 4.250 0.000 16 0 "[ . 1 . 2]" 1
7 1 17 LEU MD1 1 39 HIS HD2 5.220 . 5.220 5.100 4.969 5.220 0.000 19 0 "[ . 1 . 2]" 1
8 1 17 LEU MD2 1 39 HIS HD2 5.480 . 5.480 5.479 5.471 5.481 0.001 19 0 "[ . 1 . 2]" 1
9 1 30 TYR QE 1 78 TYR QE 3.840 . 3.840 3.407 3.169 3.589 . 0 0 "[ . 1 . 2]" 1
10 1 28 GLY H 1 30 TYR QE 4.370 . 4.370 3.920 3.652 4.364 . 0 0 "[ . 1 . 2]" 1
11 1 30 TYR HA 1 30 TYR QE 4.610 . 4.610 4.424 4.313 4.472 . 0 0 "[ . 1 . 2]" 1
12 1 25 ASP HA 1 30 TYR QE 3.520 . 3.520 3.473 3.231 3.519 . 0 0 "[ . 1 . 2]" 1
13 1 28 GLY HA3 1 30 TYR QE 5.140 . 5.140 4.600 4.474 5.133 . 0 0 "[ . 1 . 2]" 1
14 1 28 GLY HA2 1 30 TYR QE 3.660 . 3.660 2.951 2.795 3.408 . 0 0 "[ . 1 . 2]" 1
15 1 30 TYR QE 1 75 LEU HG 4.790 . 4.790 3.500 3.276 3.778 . 0 0 "[ . 1 . 2]" 1
16 1 30 TYR QE 1 75 LEU MD1 5.030 . 5.030 3.048 2.675 3.550 . 0 0 "[ . 1 . 2]" 1
17 1 30 TYR QE 1 75 LEU MD2 5.030 . 5.030 3.937 3.642 4.257 . 0 0 "[ . 1 . 2]" 1
18 1 37 TYR QE 1 68 TYR QE 4.450 . 4.450 3.917 3.327 4.402 . 0 0 "[ . 1 . 2]" 1
19 1 44 PHE QE 1 68 TYR QE 3.250 . 3.250 2.617 2.099 3.012 . 0 0 "[ . 1 . 2]" 1
20 1 68 TYR H 1 68 TYR QE 4.730 . 4.730 4.498 4.380 4.648 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASN HD21 1 46 HIS HD2 4.770 . 4.770 3.808 2.702 4.594 . 0 0 "[ . 1 . 2]" 1
22 1 46 HIS HD2 1 47 VAL H 4.660 . 4.660 3.982 3.481 4.161 . 0 0 "[ . 1 . 2]" 1
23 1 46 HIS H 1 46 HIS HD2 5.200 . 5.200 5.128 5.084 5.200 . 9 0 "[ . 1 . 2]" 1
24 1 46 HIS HD2 1 47 VAL HA 4.080 . 4.080 3.417 3.158 3.648 . 0 0 "[ . 1 . 2]" 1
25 1 46 HIS HD2 1 50 TYR HB2 4.150 . 4.150 3.965 3.599 4.151 0.001 12 0 "[ . 1 . 2]" 1
26 1 78 TYR H 1 78 TYR QE 4.780 . 4.780 4.520 4.499 4.529 . 0 0 "[ . 1 . 2]" 1
27 1 78 TYR QE 1 79 LEU H 4.210 . 4.210 3.993 3.960 4.078 . 0 0 "[ . 1 . 2]" 1
28 1 78 TYR QE 1 79 LEU HA 4.010 . 4.010 3.395 3.330 3.483 . 0 0 "[ . 1 . 2]" 1
29 1 75 LEU HA 1 78 TYR QE 4.200 . 4.200 1.969 1.952 1.992 . 0 0 "[ . 1 . 2]" 1
30 1 78 TYR QE 1 79 LEU HG 3.720 . 3.720 2.762 2.734 2.823 . 0 0 "[ . 1 . 2]" 1
31 1 78 TYR QE 1 79 LEU MD1 3.440 . 3.440 3.441 3.434 3.447 0.007 7 0 "[ . 1 . 2]" 1
32 1 78 TYR QE 1 79 LEU MD2 3.250 . 3.250 2.200 1.893 2.573 . 0 0 "[ . 1 . 2]" 1
33 1 78 TYR QE 1 79 LEU HB2 4.670 . 4.670 4.676 4.666 4.682 0.012 20 0 "[ . 1 . 2]" 1
34 1 22 ALA H 1 37 TYR QE 4.560 . 4.560 2.895 2.795 2.978 . 0 0 "[ . 1 . 2]" 1
35 1 33 ALA H 1 37 TYR QE 5.500 . 5.500 5.303 5.103 5.435 . 0 0 "[ . 1 . 2]" 1
36 1 25 ASP H 1 37 TYR QE 4.680 . 4.680 4.166 4.014 4.312 . 0 0 "[ . 1 . 2]" 1
37 1 22 ALA HA 1 37 TYR QE 4.130 . 4.130 2.622 2.474 2.728 . 0 0 "[ . 1 . 2]" 1
38 1 34 LEU HA 1 37 TYR QE 4.210 . 4.210 3.927 3.776 4.176 . 0 0 "[ . 1 . 2]" 1
39 1 18 ALA HA 1 37 TYR QE 4.720 . 4.720 4.268 3.916 4.546 . 0 0 "[ . 1 . 2]" 1
40 1 25 ASP HB3 1 37 TYR QE 4.130 . 4.130 3.586 3.351 3.760 . 0 0 "[ . 1 . 2]" 1
41 1 25 ASP HB2 1 37 TYR QE 3.370 . 3.370 2.373 2.237 2.569 . 0 0 "[ . 1 . 2]" 1
42 1 33 ALA MB 1 37 TYR QE 3.270 . 3.270 2.291 2.051 2.548 . 0 0 "[ . 1 . 2]" 1
43 1 37 TYR QE 1 75 LEU MD1 3.820 . 3.820 3.320 3.058 3.709 . 0 0 "[ . 1 . 2]" 1
44 1 21 ALA MB 1 37 TYR QE 3.490 . 3.490 2.237 2.162 2.340 . 0 0 "[ . 1 . 2]" 1
45 1 37 TYR QE 1 75 LEU MD2 3.820 . 3.820 2.623 2.186 2.988 . 0 0 "[ . 1 . 2]" 1
46 1 21 ALA MB 1 37 TYR QD 4.520 . 4.520 2.361 2.239 2.424 . 0 0 "[ . 1 . 2]" 1
47 1 39 HIS H 1 43 TYR QE 5.500 . 5.500 5.500 5.491 5.502 0.002 12 0 "[ . 1 . 2]" 1
48 1 39 HIS HE1 1 43 TYR QE 5.180 . 5.180 5.088 4.797 5.181 0.001 13 0 "[ . 1 . 2]" 1
49 1 43 TYR H 1 43 TYR QE 4.660 . 4.660 4.458 4.346 4.639 . 0 0 "[ . 1 . 2]" 1
50 1 10 ASN HA 1 43 TYR QE 4.870 . 4.870 4.824 4.356 4.871 0.001 17 0 "[ . 1 . 2]" 1
51 1 40 ALA HA 1 43 TYR QE 5.020 . 5.020 4.552 4.384 4.867 . 0 0 "[ . 1 . 2]" 1
52 1 42 GLN HB3 1 43 TYR QE 5.270 . 5.270 4.895 4.755 5.236 . 0 0 "[ . 1 . 2]" 1
53 1 17 LEU HG 1 43 TYR QE 4.850 . 4.850 4.574 4.465 4.722 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS HB2 1 43 TYR QE 5.500 . 5.500 5.127 4.823 5.401 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU HB2 1 43 TYR QE 5.500 . 5.500 4.674 4.226 5.229 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS HB3 1 43 TYR QE 4.500 . 4.500 4.223 3.991 4.427 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU MD2 1 43 TYR QE 3.890 . 3.890 3.622 3.260 3.829 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU MD1 1 43 TYR QE 3.010 . 3.010 1.916 1.860 1.976 . 0 0 "[ . 1 . 2]" 1
59 1 14 ALA MB 1 43 TYR QE 5.230 . 5.230 5.214 5.099 5.230 0.000 14 0 "[ . 1 . 2]" 1
60 1 37 TYR HA 1 37 TYR QD 4.490 . 4.490 2.017 1.993 2.107 . 0 0 "[ . 1 . 2]" 1
61 1 37 TYR QD 1 68 TYR HB3 3.710 . 3.710 2.876 2.575 3.100 . 0 0 "[ . 1 . 2]" 1
62 1 18 ALA MB 1 37 TYR QD 4.840 . 4.840 4.413 4.113 4.840 0.000 14 0 "[ . 1 . 2]" 1
63 1 44 PHE H 1 44 PHE QE 5.010 . 5.010 5.005 4.937 5.011 0.001 11 0 "[ . 1 . 2]" 1
64 1 41 VAL H 1 44 PHE QE 5.400 . 5.400 5.183 5.013 5.400 0.000 1 0 "[ . 1 . 2]" 1
65 1 44 PHE QD 1 68 TYR QE 4.270 . 4.270 3.985 3.466 4.269 . 0 0 "[ . 1 . 2]" 1
66 1 41 VAL HA 1 44 PHE QE 4.920 . 4.920 4.842 4.635 4.921 0.001 19 0 "[ . 1 . 2]" 1
67 1 15 ILE HA 1 44 PHE QE 4.880 . 4.880 3.458 3.252 3.729 . 0 0 "[ . 1 . 2]" 1
68 1 44 PHE QE 1 64 LYS QE 4.370 . 4.370 3.398 2.700 4.207 . 0 0 "[ . 1 . 2]" 1
69 1 40 ALA MB 1 44 PHE QE 4.080 . 4.080 2.231 2.006 2.457 . 0 0 "[ . 1 . 2]" 1
70 1 40 ALA MB 1 44 PHE QD 3.930 . 3.930 2.693 2.278 2.952 . 0 0 "[ . 1 . 2]" 1
71 1 44 PHE QD 1 47 VAL HB 5.500 . 5.500 4.314 3.873 5.451 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU HA 1 44 PHE QD 4.930 . 4.930 4.233 3.862 4.787 . 0 0 "[ . 1 . 2]" 1
73 1 40 ALA HA 1 44 PHE QD 5.190 . 5.190 3.893 3.665 4.112 . 0 0 "[ . 1 . 2]" 1
74 1 44 PHE HA 1 44 PHE QD 3.100 . 3.100 2.021 1.995 2.078 . 0 0 "[ . 1 . 2]" 1
75 1 41 VAL MG2 1 44 PHE QD 3.890 . 3.890 3.563 3.425 3.662 . 0 0 "[ . 1 . 2]" 1
76 1 41 VAL MG2 1 44 PHE QE 5.170 . 5.170 4.777 4.635 4.899 . 0 0 "[ . 1 . 2]" 1
77 1 44 PHE QE 1 64 LYS HB2 5.500 . 5.500 4.745 4.553 5.076 . 0 0 "[ . 1 . 2]" 1
78 1 18 ALA MB 1 44 PHE QE 3.770 . 3.770 2.141 1.944 2.593 . 0 0 "[ . 1 . 2]" 1
79 1 18 ALA MB 1 44 PHE QD 4.520 . 4.520 4.006 3.746 4.445 . 0 0 "[ . 1 . 2]" 1
80 1 44 PHE QD 1 61 ILE MG 3.280 . 3.280 2.389 1.999 2.726 . 0 0 "[ . 1 . 2]" 1
81 1 15 ILE MD 1 44 PHE QE 4.410 . 4.410 3.509 3.227 3.836 . 0 0 "[ . 1 . 2]" 1
82 1 44 PHE QE 1 61 ILE MG 4.900 . 4.900 3.647 3.181 3.986 . 0 0 "[ . 1 . 2]" 1
83 1 14 ALA MB 1 44 PHE QE 4.150 . 4.150 2.678 2.385 2.813 . 0 0 "[ . 1 . 2]" 1
84 1 14 ALA MB 1 44 PHE QD 3.780 . 3.780 2.711 2.589 2.872 . 0 0 "[ . 1 . 2]" 1
85 1 44 PHE HZ 1 68 TYR QE 4.010 . 4.010 3.794 2.876 4.010 . 17 0 "[ . 1 . 2]" 1
86 1 15 ILE H 1 44 PHE QD 5.500 . 5.500 5.321 5.104 5.501 0.001 7 0 "[ . 1 . 2]" 1
87 1 44 PHE QD 1 65 CYS H 5.500 . 5.500 5.260 4.680 5.499 . 0 0 "[ . 1 . 2]" 1
88 1 15 ILE H 1 44 PHE HZ 4.850 . 4.850 3.936 3.703 4.282 . 0 0 "[ . 1 . 2]" 1
89 1 15 ILE HA 1 44 PHE HZ 3.620 . 3.620 2.265 1.999 2.717 . 0 0 "[ . 1 . 2]" 1
90 1 15 ILE HG12 1 44 PHE HZ 3.950 . 3.950 2.779 2.333 3.295 . 0 0 "[ . 1 . 2]" 1
91 1 40 ALA MB 1 44 PHE HZ 4.860 . 4.860 4.061 3.843 4.352 . 0 0 "[ . 1 . 2]" 1
92 1 18 ALA MB 1 44 PHE HZ 3.750 . 3.750 2.931 2.526 3.395 . 0 0 "[ . 1 . 2]" 1
93 1 15 ILE HG13 1 44 PHE HZ 3.950 . 3.950 3.362 2.927 3.834 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE MD 1 44 PHE HZ 4.860 . 4.860 4.318 3.943 4.764 . 0 0 "[ . 1 . 2]" 1
95 1 14 ALA MB 1 44 PHE HZ 4.350 . 4.350 3.306 2.956 3.514 . 0 0 "[ . 1 . 2]" 1
96 1 46 HIS HE1 1 50 TYR QD 4.520 . 4.520 4.381 4.100 4.521 0.001 10 0 "[ . 1 . 2]" 1
97 1 49 LYS QE 1 50 TYR QE 4.540 . 4.540 3.209 1.950 4.541 0.001 10 0 "[ . 1 . 2]" 1
98 1 46 HIS HA 1 50 TYR QE 3.790 . 3.790 3.624 3.336 3.790 . 0 0 "[ . 1 . 2]" 1
99 1 50 TYR H 1 50 TYR QE 4.750 . 4.750 4.631 4.365 4.752 0.002 10 0 "[ . 1 . 2]" 1
100 1 40 ALA MB 1 43 TYR QD 4.340 . 4.340 4.190 3.946 4.341 0.001 14 0 "[ . 1 . 2]" 1
101 1 30 TYR QD 1 78 TYR QD 4.800 . 4.800 4.465 4.250 4.800 . 0 0 "[ . 1 . 2]" 1
102 1 78 TYR QD 1 79 LEU H 4.110 . 4.110 3.166 3.137 3.233 . 0 0 "[ . 1 . 2]" 1
103 1 78 TYR QD 1 79 LEU HA 4.180 . 4.180 2.935 2.868 3.022 . 0 0 "[ . 1 . 2]" 1
104 1 75 LEU HA 1 78 TYR QD 3.990 . 3.990 2.526 2.476 2.602 . 0 0 "[ . 1 . 2]" 1
105 1 77 GLU QB 1 78 TYR QD 4.340 . 4.340 3.955 3.851 4.069 . 0 0 "[ . 1 . 2]" 1
106 1 78 TYR QD 1 79 LEU HG 3.680 . 3.680 3.443 3.395 3.524 . 0 0 "[ . 1 . 2]" 1
107 1 78 TYR QD 1 79 LEU MD2 4.060 . 4.060 3.322 2.936 3.706 . 0 0 "[ . 1 . 2]" 1
108 1 78 TYR QD 1 79 LEU MD1 4.760 . 4.760 4.419 4.362 4.467 . 0 0 "[ . 1 . 2]" 1
109 1 49 LYS H 1 50 TYR QD 4.400 . 4.400 3.975 3.807 4.223 . 0 0 "[ . 1 . 2]" 1
110 1 50 TYR H 1 50 TYR QD 3.700 . 3.700 2.288 2.005 2.426 . 0 0 "[ . 1 . 2]" 1
111 1 50 TYR QD 1 51 GLU H 4.920 . 4.920 4.197 4.149 4.249 . 0 0 "[ . 1 . 2]" 1
112 1 41 VAL H 1 43 TYR QD 5.420 . 5.420 5.211 4.945 5.420 0.000 14 0 "[ . 1 . 2]" 1
113 1 46 HIS HA 1 50 TYR QD 3.460 . 3.460 3.115 2.894 3.315 . 0 0 "[ . 1 . 2]" 1
114 1 47 VAL HA 1 50 TYR QD 5.500 . 5.500 4.556 4.380 4.913 . 0 0 "[ . 1 . 2]" 1
115 1 49 LYS QE 1 50 TYR QD 4.840 . 4.840 3.402 2.172 4.413 . 0 0 "[ . 1 . 2]" 1
116 1 49 LYS HB2 1 50 TYR QD 4.530 . 4.530 4.005 3.628 4.355 . 0 0 "[ . 1 . 2]" 1
117 1 49 LYS HB3 1 50 TYR QD 3.790 . 3.790 2.326 2.124 2.612 . 0 0 "[ . 1 . 2]" 1
118 1 49 LYS HG2 1 50 TYR QD 5.220 . 5.220 4.115 3.266 4.990 . 0 0 "[ . 1 . 2]" 1
119 1 49 LYS HG3 1 50 TYR QD 5.220 . 5.220 4.617 2.637 5.192 . 0 0 "[ . 1 . 2]" 1
120 1 37 TYR QE 1 68 TYR QD 3.660 . 3.660 3.372 2.926 3.660 . 0 0 "[ . 1 . 2]" 1
121 1 44 PHE QE 1 68 TYR QD 3.890 . 3.890 3.416 2.525 3.683 . 0 0 "[ . 1 . 2]" 1
122 1 68 TYR H 1 68 TYR QD 3.850 . 3.850 3.160 3.040 3.255 . 0 0 "[ . 1 . 2]" 1
123 1 68 TYR QD 1 69 LEU H 4.760 . 4.760 4.320 4.221 4.402 . 0 0 "[ . 1 . 2]" 1
124 1 68 TYR HA 1 68 TYR QD 3.040 . 3.040 2.130 2.008 2.295 . 0 0 "[ . 1 . 2]" 1
125 1 41 VAL HA 1 68 TYR QD 4.620 . 4.620 4.417 4.021 4.620 0.000 3 0 "[ . 1 . 2]" 1
126 1 65 CYS HA 1 68 TYR QD 3.750 . 3.750 3.012 2.743 3.156 . 0 0 "[ . 1 . 2]" 1
127 1 64 LYS HB3 1 68 TYR QD 4.010 . 4.010 3.308 3.005 3.964 . 0 0 "[ . 1 . 2]" 1
128 1 18 ALA MB 1 68 TYR QD 4.130 . 4.130 3.601 3.325 3.853 . 0 0 "[ . 1 . 2]" 1
129 1 41 VAL MG2 1 68 TYR QD 3.400 . 3.400 3.189 2.907 3.401 0.001 14 0 "[ . 1 . 2]" 1
130 1 40 ALA MB 1 68 TYR QD 4.370 . 4.370 3.382 2.666 3.744 . 0 0 "[ . 1 . 2]" 1
131 1 30 TYR QD 1 78 TYR QE 3.840 . 3.840 2.184 1.994 2.522 . 0 0 "[ . 1 . 2]" 1
132 1 30 TYR QD 1 33 ALA H 5.500 . 5.500 5.459 5.341 5.499 . 0 0 "[ . 1 . 2]" 1
133 1 30 TYR HA 1 30 TYR QD 3.020 . 3.020 2.663 2.486 2.773 . 0 0 "[ . 1 . 2]" 1
134 1 25 ASP HA 1 30 TYR QD 3.590 . 3.590 2.939 2.540 3.164 . 0 0 "[ . 1 . 2]" 1
135 1 30 TYR QD 1 33 ALA MB 4.380 . 4.380 4.180 3.990 4.310 . 0 0 "[ . 1 . 2]" 1
136 1 68 TYR HA 1 68 TYR QE 4.520 . 4.520 4.391 4.285 4.494 . 0 0 "[ . 1 . 2]" 1
137 1 65 CYS HA 1 68 TYR QE 5.000 . 5.000 4.736 4.216 4.984 . 0 0 "[ . 1 . 2]" 1
138 1 64 LYS HA 1 68 TYR QE 4.690 . 4.690 4.124 3.876 4.414 . 0 0 "[ . 1 . 2]" 1
139 1 64 LYS QE 1 68 TYR QE 4.200 . 4.200 3.203 2.585 4.004 . 0 0 "[ . 1 . 2]" 1
140 1 22 ALA MB 1 68 TYR QE 4.090 . 4.090 3.071 2.736 3.438 . 0 0 "[ . 1 . 2]" 1
141 1 64 LYS HB2 1 68 TYR QE 4.420 . 4.420 3.617 3.464 3.912 . 0 0 "[ . 1 . 2]" 1
142 1 18 ALA MB 1 68 TYR QE 3.170 . 3.170 2.689 2.458 2.997 . 0 0 "[ . 1 . 2]" 1
143 1 64 LYS HB3 1 68 TYR QE 3.220 . 3.220 2.146 1.999 2.502 . 0 0 "[ . 1 . 2]" 1
144 1 21 ALA MB 1 68 TYR QE 5.300 . 5.300 4.807 4.402 5.223 . 0 0 "[ . 1 . 2]" 1
145 1 46 HIS HA 1 46 HIS HD2 4.820 . 4.820 4.235 4.140 4.362 . 0 0 "[ . 1 . 2]" 1
146 1 43 TYR HA 1 46 HIS HD2 4.980 . 4.980 4.915 4.595 4.980 0.000 7 0 "[ . 1 . 2]" 1
147 1 75 LEU HG 1 78 TYR QE 3.910 . 3.910 2.134 1.989 2.454 . 0 0 "[ . 1 . 2]" 1
148 1 41 VAL MG2 1 68 TYR HA 5.240 . 5.240 4.783 4.553 4.938 . 0 0 "[ . 1 . 2]" 1
149 1 55 ASP HA 1 57 ALA MB 5.500 . 5.500 4.915 4.761 5.031 . 0 0 "[ . 1 . 2]" 1
150 1 33 ALA MB 1 34 LEU HA 5.050 . 5.050 3.794 3.725 3.844 . 0 0 "[ . 1 . 2]" 1
151 1 34 LEU HA 1 34 LEU MD2 4.460 . 4.460 3.886 3.843 3.927 . 0 0 "[ . 1 . 2]" 1
152 1 32 GLU HA 1 32 GLU HG2 3.830 . 3.830 3.629 3.396 3.728 . 0 0 "[ . 1 . 2]" 1
153 1 34 LEU HG 1 35 GLN HA 3.790 . 3.790 3.566 3.464 3.754 . 0 0 "[ . 1 . 2]" 1
154 1 35 GLN HA 1 39 HIS H 4.780 . 4.780 4.401 4.291 4.522 . 0 0 "[ . 1 . 2]" 1
155 1 35 GLN HA 1 38 GLN HB2 3.510 . 3.510 3.200 3.053 3.327 . 0 0 "[ . 1 . 2]" 1
156 1 36 LEU HA 1 36 LEU MD1 4.400 . 4.400 3.901 3.848 3.940 . 0 0 "[ . 1 . 2]" 1
157 1 20 LYS HA 1 23 GLN HB2 3.400 . 3.400 2.676 2.607 2.746 . 0 0 "[ . 1 . 2]" 1
158 1 20 LYS HA 1 20 LYS HG3 3.950 . 3.950 2.862 2.255 3.667 . 0 0 "[ . 1 . 2]" 1
159 1 76 LYS HG3 1 77 GLU HA 4.560 . 4.560 3.347 3.206 3.476 . 0 0 "[ . 1 . 2]" 1
160 1 17 LEU HA 1 20 LYS H 4.480 . 4.480 3.503 3.259 3.654 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU HA 1 17 LEU HG 3.840 . 3.840 2.689 2.538 2.860 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU HA 1 17 LEU MD1 4.530 . 4.530 3.871 3.809 3.938 . 0 0 "[ . 1 . 2]" 1
163 1 67 GLU HA 1 70 ASP HB2 4.080 . 4.080 3.527 3.103 3.912 . 0 0 "[ . 1 . 2]" 1
164 1 73 GLU HA 1 76 LYS HG2 4.020 . 4.020 2.393 2.038 2.687 . 0 0 "[ . 1 . 2]" 1
165 1 72 ALA MB 1 73 GLU HA 4.290 . 4.290 3.788 3.729 3.840 . 0 0 "[ . 1 . 2]" 1
166 1 73 GLU HA 1 76 LYS HG3 4.440 . 4.440 3.455 3.200 3.768 . 0 0 "[ . 1 . 2]" 1
167 1 66 THR MG 1 67 GLU HA 4.460 . 4.460 3.269 3.152 3.377 . 0 0 "[ . 1 . 2]" 1
168 1 34 LEU MD1 1 73 GLU HA 4.900 . 4.900 4.015 3.628 4.207 . 0 0 "[ . 1 . 2]" 1
169 1 73 GLU HA 1 76 LYS H 4.150 . 4.150 3.916 3.724 4.017 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS HA 1 13 LYS HG2 4.150 . 4.150 3.113 2.225 3.813 . 0 0 "[ . 1 . 2]" 1
171 1 49 LYS HA 1 49 LYS HG2 4.190 . 4.190 2.644 2.198 3.794 . 0 0 "[ . 1 . 2]" 1
172 1 49 LYS HA 1 49 LYS HG3 4.190 . 4.190 3.031 2.674 3.511 . 0 0 "[ . 1 . 2]" 1
173 1 13 LYS HA 1 16 ASP HB2 3.760 . 3.760 2.913 2.711 3.229 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS HA 1 16 ASP HB3 4.050 . 4.050 2.957 2.726 3.140 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS HA 1 13 LYS HD2 4.780 . 4.780 3.550 2.362 4.435 . 0 0 "[ . 1 . 2]" 1
176 1 13 LYS HA 1 13 LYS HD3 4.780 . 4.780 3.282 2.166 4.343 . 0 0 "[ . 1 . 2]" 1
177 1 13 LYS HA 1 13 LYS HG3 4.150 . 4.150 2.941 2.782 3.380 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLN HA 1 15 ILE H 4.250 . 4.250 3.662 3.457 3.824 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLN HA 1 15 ILE HB 3.590 . 3.590 3.417 3.145 3.590 0.000 11 0 "[ . 1 . 2]" 1
180 1 12 GLN HA 1 15 ILE MD 3.780 . 3.780 2.638 1.977 2.938 . 0 0 "[ . 1 . 2]" 1
181 1 41 VAL MG1 1 42 GLN HA 4.390 . 4.390 3.744 3.612 3.845 . 0 0 "[ . 1 . 2]" 1
182 1 59 GLN HA 1 62 ARG QB 3.170 . 3.170 2.411 2.237 2.806 . 0 0 "[ . 1 . 2]" 1
183 1 36 LEU HA 1 39 HIS HB2 4.500 . 4.500 2.509 2.407 2.637 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU HA 1 36 LEU HG 3.620 . 3.620 2.828 2.640 2.928 . 0 0 "[ . 1 . 2]" 1
185 1 21 ALA MB 1 36 LEU HA 4.740 . 4.740 3.968 3.788 4.147 . 0 0 "[ . 1 . 2]" 1
186 1 20 LYS HA 1 20 LYS HG2 3.950 . 3.950 2.588 2.156 2.926 . 0 0 "[ . 1 . 2]" 1
187 1 20 LYS HA 1 20 LYS QE 4.560 . 4.560 4.314 3.363 4.540 . 0 0 "[ . 1 . 2]" 1
188 1 77 GLU HA 1 81 ASN H 4.760 . 4.760 4.347 4.133 4.580 . 0 0 "[ . 1 . 2]" 1
189 1 20 LYS HA 1 20 LYS QD 4.380 . 4.380 3.595 2.522 4.130 . 0 0 "[ . 1 . 2]" 1
190 1 78 TYR HA 1 78 TYR QD 3.700 . 3.700 3.657 3.646 3.668 . 0 0 "[ . 1 . 2]" 1
191 1 78 TYR HA 1 81 ASN HB3 4.760 . 4.760 3.315 2.451 4.066 . 0 0 "[ . 1 . 2]" 1
192 1 46 HIS HA 1 49 LYS HB3 4.560 . 4.560 2.977 2.276 3.473 . 0 0 "[ . 1 . 2]" 1
193 1 30 TYR HA 1 75 LEU MD1 4.850 . 4.850 4.379 4.213 4.579 . 0 0 "[ . 1 . 2]" 1
194 1 31 GLU HA 1 31 GLU HG3 3.980 . 3.980 2.969 2.174 3.614 . 0 0 "[ . 1 . 2]" 1
195 1 31 GLU HA 1 34 LEU HB2 4.320 . 4.320 3.563 3.405 3.792 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLU HA 1 79 LEU MD2 4.980 . 4.980 3.752 3.186 4.093 . 0 0 "[ . 1 . 2]" 1
197 1 31 GLU HA 1 79 LEU MD1 3.490 . 3.490 2.515 2.175 2.733 . 0 0 "[ . 1 . 2]" 1
198 1 38 GLN HA 1 38 GLN HG3 4.000 . 4.000 2.973 2.561 3.590 . 0 0 "[ . 1 . 2]" 1
199 1 76 LYS HA 1 76 LYS HG2 4.070 . 4.070 3.723 3.653 3.891 . 0 0 "[ . 1 . 2]" 1
200 1 76 LYS HA 1 76 LYS HG3 4.200 . 4.200 3.788 3.641 3.872 . 0 0 "[ . 1 . 2]" 1
201 1 34 LEU MD1 1 76 LYS HA 4.310 . 4.310 3.410 3.020 4.102 . 0 0 "[ . 1 . 2]" 1
202 1 34 LEU MD2 1 76 LYS HA 3.690 . 3.690 2.173 1.965 2.509 . 0 0 "[ . 1 . 2]" 1
203 1 62 ARG HA 1 62 ARG HG2 4.150 . 4.150 2.451 2.196 2.804 . 0 0 "[ . 1 . 2]" 1
204 1 76 LYS HA 1 79 LEU HB2 3.920 . 3.920 2.053 1.992 2.102 . 0 0 "[ . 1 . 2]" 1
205 1 58 LYS HA 1 62 ARG H 4.850 . 4.850 4.212 3.924 4.653 . 0 0 "[ . 1 . 2]" 1
206 1 58 LYS HA 1 61 ILE HB 4.100 . 4.100 3.232 3.054 3.450 . 0 0 "[ . 1 . 2]" 1
207 1 58 LYS HA 1 58 LYS QG 3.740 . 3.740 2.474 2.435 2.538 . 0 0 "[ . 1 . 2]" 1
208 1 57 ALA MB 1 58 LYS HA 4.800 . 4.800 3.708 3.685 3.777 . 0 0 "[ . 1 . 2]" 1
209 1 58 LYS HA 1 61 ILE MD 3.890 . 3.890 2.693 2.234 3.199 . 0 0 "[ . 1 . 2]" 1
210 1 19 SER HA 1 22 ALA H 4.330 . 4.330 3.737 3.587 3.852 . 0 0 "[ . 1 . 2]" 1
211 1 19 SER HA 1 22 ALA MB 3.650 . 3.650 3.046 2.887 3.209 . 0 0 "[ . 1 . 2]" 1
212 1 18 ALA MB 1 19 SER HA 4.770 . 4.770 3.783 3.714 3.862 . 0 0 "[ . 1 . 2]" 1
213 1 43 TYR HA 1 47 VAL H 5.120 . 5.120 4.407 4.066 4.529 . 0 0 "[ . 1 . 2]" 1
214 1 43 TYR HA 1 46 HIS HB2 4.090 . 4.090 3.086 2.890 3.545 . 0 0 "[ . 1 . 2]" 1
215 1 43 TYR HA 1 46 HIS HB3 4.090 . 4.090 2.633 2.416 2.852 . 0 0 "[ . 1 . 2]" 1
216 1 44 PHE HA 1 47 VAL HB 4.750 . 4.750 3.607 3.195 4.520 . 0 0 "[ . 1 . 2]" 1
217 1 44 PHE HA 1 47 VAL MG2 4.970 . 4.970 2.990 2.469 4.970 0.000 16 0 "[ . 1 . 2]" 1
218 1 44 PHE HA 1 61 ILE MG 4.340 . 4.340 3.082 2.734 3.426 . 0 0 "[ . 1 . 2]" 1
219 1 65 CYS HA 1 68 TYR HB3 5.390 . 5.390 5.076 4.843 5.347 . 0 0 "[ . 1 . 2]" 1
220 1 65 CYS HA 1 68 TYR HB2 4.360 . 4.360 3.377 3.167 3.645 . 0 0 "[ . 1 . 2]" 1
221 1 41 VAL MG1 1 65 CYS HA 4.520 . 4.520 3.123 2.618 3.612 . 0 0 "[ . 1 . 2]" 1
222 1 61 ILE MG 1 65 CYS HA 5.420 . 5.420 4.342 4.224 4.602 . 0 0 "[ . 1 . 2]" 1
223 1 21 ALA MB 1 37 TYR HA 4.120 . 4.120 2.897 2.729 3.052 . 0 0 "[ . 1 . 2]" 1
224 1 21 ALA MB 1 36 LEU HB2 3.490 . 3.490 2.114 1.913 2.539 . 0 0 "[ . 1 . 2]" 1
225 1 21 ALA MB 1 36 LEU HB3 3.610 . 3.610 2.083 1.968 2.289 . 0 0 "[ . 1 . 2]" 1
226 1 14 ALA MB 1 43 TYR H 4.530 . 4.530 3.826 3.702 3.999 . 0 0 "[ . 1 . 2]" 1
227 1 14 ALA MB 1 44 PHE HA 4.390 . 4.390 2.890 2.730 3.147 . 0 0 "[ . 1 . 2]" 1
228 1 11 LEU HA 1 14 ALA MB 3.720 . 3.720 2.626 2.435 2.871 . 0 0 "[ . 1 . 2]" 1
229 1 14 ALA MB 1 40 ALA HA 4.140 . 4.140 3.061 2.878 3.405 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA MB 1 43 TYR HB2 3.760 . 3.760 2.004 1.937 2.234 . 0 0 "[ . 1 . 2]" 1
231 1 14 ALA MB 1 43 TYR HB3 3.760 . 3.760 2.297 1.971 2.518 . 0 0 "[ . 1 . 2]" 1
232 1 11 LEU HG 1 14 ALA MB 5.420 . 5.420 3.759 3.541 4.006 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA MB 1 40 ALA MB 4.300 . 4.300 3.402 3.167 3.949 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HB3 1 14 ALA MB 4.460 . 4.460 4.014 3.945 4.087 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA MB 1 15 ILE MG 5.500 . 5.500 4.815 4.785 4.837 . 0 0 "[ . 1 . 2]" 1
236 1 15 ILE HA 1 15 ILE MG 3.430 . 3.430 2.302 2.202 2.367 . 0 0 "[ . 1 . 2]" 1
237 1 54 GLY H 1 61 ILE MD 5.500 . 5.500 5.126 4.550 5.500 0.000 12 0 "[ . 1 . 2]" 1
238 1 61 ILE MD 1 62 ARG H 5.500 . 5.500 4.582 4.382 4.688 . 0 0 "[ . 1 . 2]" 1
239 1 44 PHE QE 1 61 ILE MD 5.370 . 5.370 4.074 3.380 4.492 . 0 0 "[ . 1 . 2]" 1
240 1 15 ILE HB 1 15 ILE MD 3.350 . 3.350 2.316 2.208 2.429 . 0 0 "[ . 1 . 2]" 1
241 1 11 LEU MD1 1 15 ILE MD 3.490 . 3.490 3.253 2.810 3.490 0.000 20 0 "[ . 1 . 2]" 1
242 1 48 VAL H 1 61 ILE MD 4.610 . 4.610 3.661 3.360 3.989 . 0 0 "[ . 1 . 2]" 1
243 1 44 PHE QD 1 61 ILE MD 4.540 . 4.540 2.930 2.414 3.414 . 0 0 "[ . 1 . 2]" 1
244 1 61 ILE HA 1 61 ILE MD 4.140 . 4.140 3.876 3.841 3.924 . 0 0 "[ . 1 . 2]" 1
245 1 53 GLN HG3 1 61 ILE MD 5.500 . 5.500 4.519 3.740 5.353 . 0 0 "[ . 1 . 2]" 1
246 1 11 LEU MD2 1 15 ILE MD 3.490 . 3.490 2.547 2.227 2.763 . 0 0 "[ . 1 . 2]" 1
247 1 48 VAL H 1 61 ILE MG 4.730 . 4.730 4.079 3.813 4.453 . 0 0 "[ . 1 . 2]" 1
248 1 61 ILE MG 1 62 ARG HA 4.900 . 4.900 3.749 3.700 3.860 . 0 0 "[ . 1 . 2]" 1
249 1 44 PHE HB2 1 61 ILE MG 4.280 . 4.280 3.311 3.193 3.508 . 0 0 "[ . 1 . 2]" 1
250 1 44 PHE HB3 1 61 ILE MG 3.760 . 3.760 1.962 1.888 2.148 . 0 0 "[ . 1 . 2]" 1
251 1 47 VAL HB 1 61 ILE MG 5.380 . 5.380 4.217 3.731 5.380 0.000 16 0 "[ . 1 . 2]" 1
252 1 61 ILE MG 1 65 CYS HB3 5.500 . 5.500 4.221 2.724 4.695 . 0 0 "[ . 1 . 2]" 1
253 1 61 ILE MG 1 64 LYS HB3 5.440 . 5.440 4.492 4.360 4.641 . 0 0 "[ . 1 . 2]" 1
254 1 71 ARG HE 1 75 LEU MD2 4.690 . 4.690 4.403 3.920 4.685 . 0 0 "[ . 1 . 2]" 1
255 1 30 TYR HA 1 75 LEU MD2 4.850 . 4.850 2.356 2.074 2.660 . 0 0 "[ . 1 . 2]" 1
256 1 75 LEU HA 1 75 LEU MD2 4.570 . 4.570 3.651 3.558 3.794 . 0 0 "[ . 1 . 2]" 1
257 1 30 TYR HB3 1 75 LEU MD2 4.440 . 4.440 2.172 1.844 2.785 . 0 0 "[ . 1 . 2]" 1
258 1 25 ASP HB2 1 75 LEU MD2 4.760 . 4.760 3.434 2.956 3.876 . 0 0 "[ . 1 . 2]" 1
259 1 30 TYR HB2 1 75 LEU MD2 5.310 . 5.310 3.564 3.225 4.021 . 0 0 "[ . 1 . 2]" 1
260 1 33 ALA MB 1 75 LEU MD2 4.330 . 4.330 2.736 2.380 3.015 . 0 0 "[ . 1 . 2]" 1
261 1 36 LEU HA 1 36 LEU MD2 4.400 . 4.400 2.324 2.131 2.583 . 0 0 "[ . 1 . 2]" 1
262 1 21 ALA MB 1 36 LEU MD2 4.280 . 4.280 3.613 3.465 3.773 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU MD2 1 40 ALA H 4.570 . 4.570 4.399 4.101 4.538 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU HA 1 17 LEU MD2 3.130 . 3.130 2.427 2.313 2.576 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU HB3 1 17 LEU MD2 3.590 . 3.590 2.171 2.020 2.239 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU HB2 1 17 LEU MD2 3.560 . 3.560 3.128 3.106 3.148 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU MD2 1 36 LEU HB3 4.080 . 4.080 3.203 2.439 3.795 . 0 0 "[ . 1 . 2]" 1
268 1 69 LEU H 1 69 LEU MD2 4.450 . 4.450 3.858 3.731 4.308 . 0 0 "[ . 1 . 2]" 1
269 1 41 VAL HB 1 69 LEU MD2 5.210 . 5.210 3.397 2.942 5.211 0.001 14 0 "[ . 1 . 2]" 1
270 1 41 VAL MG1 1 69 LEU MD2 3.460 . 3.460 2.365 2.026 3.438 . 0 0 "[ . 1 . 2]" 1
271 1 45 LEU H 1 45 LEU MD2 4.160 . 4.160 3.379 3.232 3.742 . 0 0 "[ . 1 . 2]" 1
272 1 45 LEU HB3 1 45 LEU MD2 3.580 . 3.580 2.306 2.247 2.405 . 0 0 "[ . 1 . 2]" 1
273 1 41 VAL MG1 1 45 LEU MD2 3.660 . 3.660 2.966 1.992 3.268 . 0 0 "[ . 1 . 2]" 1
274 1 48 VAL H 1 48 VAL MG1 4.190 . 4.190 3.767 3.757 3.783 . 0 0 "[ . 1 . 2]" 1
275 1 48 VAL MG1 1 58 LYS HA 4.530 . 4.530 3.122 2.837 3.574 . 0 0 "[ . 1 . 2]" 1
276 1 48 VAL HA 1 48 VAL MG1 3.630 . 3.630 2.281 2.207 2.380 . 0 0 "[ . 1 . 2]" 1
277 1 41 VAL MG1 1 42 GLN H 4.310 . 4.310 3.699 3.551 3.752 . 0 0 "[ . 1 . 2]" 1
278 1 41 VAL MG1 1 65 CYS HB3 4.810 . 4.810 3.032 2.546 4.510 . 0 0 "[ . 1 . 2]" 1
279 1 41 VAL MG1 1 45 LEU MD1 3.660 . 3.660 1.921 1.781 2.102 . 0 0 "[ . 1 . 2]" 1
280 1 41 VAL MG1 1 69 LEU MD1 3.460 . 3.460 2.125 1.825 2.730 . 0 0 "[ . 1 . 2]" 1
281 1 63 ALA MB 1 66 THR MG 4.100 . 4.100 3.236 3.180 3.373 . 0 0 "[ . 1 . 2]" 1
282 1 66 THR HA 1 66 THR MG 3.440 . 3.440 3.225 3.214 3.227 . 0 0 "[ . 1 . 2]" 1
283 1 41 VAL MG1 1 69 LEU HG 5.270 . 5.270 2.455 1.989 4.351 . 0 0 "[ . 1 . 2]" 1
284 1 47 VAL MG1 1 48 VAL H 4.100 . 4.100 3.478 1.916 3.763 . 0 0 "[ . 1 . 2]" 1
285 1 47 VAL H 1 47 VAL MG1 4.090 . 4.090 3.690 2.057 3.786 . 0 0 "[ . 1 . 2]" 1
286 1 44 PHE HA 1 47 VAL MG1 4.970 . 4.970 4.659 2.482 4.922 . 0 0 "[ . 1 . 2]" 1
287 1 11 LEU HB3 1 47 VAL MG1 5.030 . 5.030 4.172 3.656 4.588 . 0 0 "[ . 1 . 2]" 1
288 1 47 VAL MG1 1 61 ILE MD 5.000 . 5.000 3.132 1.979 3.420 . 0 0 "[ . 1 . 2]" 1
289 1 11 LEU HB2 1 47 VAL MG1 5.030 . 5.030 2.766 2.311 3.164 . 0 0 "[ . 1 . 2]" 1
290 1 11 LEU HA 1 47 VAL MG1 4.400 . 4.400 4.136 2.967 4.400 . 0 0 "[ . 1 . 2]" 1
291 1 11 LEU H 1 47 VAL MG2 4.730 . 4.730 3.167 2.757 3.707 . 0 0 "[ . 1 . 2]" 1
292 1 11 LEU HA 1 47 VAL MG2 4.400 . 4.400 2.678 2.382 3.991 . 0 0 "[ . 1 . 2]" 1
293 1 47 VAL HA 1 47 VAL MG2 3.540 . 3.540 2.445 2.385 2.512 . 0 0 "[ . 1 . 2]" 1
294 1 11 LEU HB2 1 47 VAL MG2 5.030 . 5.030 2.381 1.934 3.144 . 0 0 "[ . 1 . 2]" 1
295 1 11 LEU HB3 1 47 VAL MG2 5.030 . 5.030 3.814 3.400 4.382 . 0 0 "[ . 1 . 2]" 1
296 1 47 VAL MG2 1 61 ILE MD 5.000 . 5.000 3.828 3.084 4.235 . 0 0 "[ . 1 . 2]" 1
297 1 79 LEU H 1 79 LEU MD2 4.100 . 4.100 3.718 3.574 3.882 . 0 0 "[ . 1 . 2]" 1
298 1 79 LEU MD2 1 80 LYS H 4.770 . 4.770 4.727 4.691 4.772 0.002 17 0 "[ . 1 . 2]" 1
299 1 30 TYR QD 1 79 LEU MD2 4.500 . 4.500 4.498 4.496 4.503 0.003 17 0 "[ . 1 . 2]" 1
300 1 79 LEU HA 1 79 LEU MD2 3.110 . 3.110 1.994 1.955 2.056 . 0 0 "[ . 1 . 2]" 1
301 1 30 TYR HB3 1 79 LEU MD2 4.050 . 4.050 3.709 3.535 3.814 . 0 0 "[ . 1 . 2]" 1
302 1 31 GLU HG3 1 79 LEU MD2 4.060 . 4.060 2.914 2.344 3.808 . 0 0 "[ . 1 . 2]" 1
303 1 79 LEU HB2 1 79 LEU MD2 3.520 . 3.520 3.189 3.181 3.199 . 0 0 "[ . 1 . 2]" 1
304 1 11 LEU MD1 1 15 ILE H 5.500 . 5.500 4.863 4.534 5.030 . 0 0 "[ . 1 . 2]" 1
305 1 48 VAL H 1 48 VAL MG2 4.190 . 4.190 2.055 1.961 2.164 . 0 0 "[ . 1 . 2]" 1
306 1 48 VAL MG2 1 49 LYS H 4.430 . 4.430 3.731 3.682 3.777 . 0 0 "[ . 1 . 2]" 1
307 1 48 VAL MG2 1 58 LYS HA 4.530 . 4.530 2.905 2.435 3.276 . 0 0 "[ . 1 . 2]" 1
308 1 48 VAL HA 1 48 VAL MG2 3.630 . 3.630 2.434 2.384 2.512 . 0 0 "[ . 1 . 2]" 1
309 1 48 VAL MG2 1 61 ILE HB 4.510 . 4.510 2.306 2.066 2.682 . 0 0 "[ . 1 . 2]" 1
310 1 69 LEU H 1 69 LEU MD1 4.450 . 4.450 3.682 3.517 3.919 . 0 0 "[ . 1 . 2]" 1
311 1 69 LEU MD1 1 70 ASP H 5.500 . 5.500 4.638 4.409 4.878 . 0 0 "[ . 1 . 2]" 1
312 1 13 LYS HG3 1 17 LEU MD1 4.210 . 4.210 2.818 1.831 4.212 0.002 16 0 "[ . 1 . 2]" 1
313 1 34 LEU MD1 1 76 LYS H 3.880 . 3.880 2.326 2.005 2.780 . 0 0 "[ . 1 . 2]" 1
314 1 34 LEU MD1 1 73 GLU H 5.200 . 5.200 4.289 4.070 4.441 . 0 0 "[ . 1 . 2]" 1
315 1 34 LEU MD1 1 38 GLN HE21 4.650 . 4.650 2.561 1.957 3.664 . 0 0 "[ . 1 . 2]" 1
316 1 34 LEU HA 1 34 LEU MD1 3.410 . 3.410 2.097 1.973 2.290 . 0 0 "[ . 1 . 2]" 1
317 1 34 LEU MD1 1 72 ALA HA 3.530 . 3.530 2.241 2.000 2.553 . 0 0 "[ . 1 . 2]" 1
318 1 34 LEU MD1 1 75 LEU HB2 4.360 . 4.360 2.485 1.951 2.945 . 0 0 "[ . 1 . 2]" 1
319 1 34 LEU MD1 1 76 LYS HG2 3.530 . 3.530 3.068 2.813 3.325 . 0 0 "[ . 1 . 2]" 1
320 1 34 LEU MD1 1 72 ALA MB 3.150 . 3.150 1.988 1.845 2.131 . 0 0 "[ . 1 . 2]" 1
321 1 13 LYS H 1 13 LYS HG2 4.700 . 4.700 4.517 4.372 4.630 . 0 0 "[ . 1 . 2]" 1
322 1 31 GLU H 1 79 LEU MD1 4.290 . 4.290 3.858 3.501 4.160 . 0 0 "[ . 1 . 2]" 1
323 1 34 LEU H 1 79 LEU MD1 4.690 . 4.690 4.456 4.131 4.656 . 0 0 "[ . 1 . 2]" 1
324 1 76 LYS H 1 79 LEU MD1 4.460 . 4.460 3.895 3.606 4.085 . 0 0 "[ . 1 . 2]" 1
325 1 79 LEU H 1 79 LEU MD1 4.710 . 4.710 3.602 3.529 3.720 . 0 0 "[ . 1 . 2]" 1
326 1 79 LEU MD1 1 80 LYS H 4.890 . 4.890 4.624 4.504 4.751 . 0 0 "[ . 1 . 2]" 1
327 1 76 LYS HA 1 79 LEU MD1 4.120 . 4.120 2.556 2.272 3.047 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLU HG3 1 79 LEU MD1 4.120 . 4.120 3.271 2.145 3.918 . 0 0 "[ . 1 . 2]" 1
329 1 79 LEU HB2 1 79 LEU MD1 3.430 . 3.430 2.211 2.100 2.346 . 0 0 "[ . 1 . 2]" 1
330 1 71 ARG HE 1 75 LEU MD1 4.690 . 4.690 3.243 2.315 3.766 . 0 0 "[ . 1 . 2]" 1
331 1 25 ASP HB2 1 75 LEU MD1 4.760 . 4.760 4.206 3.703 4.564 . 0 0 "[ . 1 . 2]" 1
332 1 30 TYR HB2 1 75 LEU MD1 5.310 . 5.310 5.306 5.303 5.311 0.001 11 0 "[ . 1 . 2]" 1
333 1 36 LEU MD1 1 37 TYR H 4.970 . 4.970 4.325 4.118 4.442 . 0 0 "[ . 1 . 2]" 1
334 1 21 ALA MB 1 36 LEU MD1 4.280 . 4.280 2.877 2.623 3.305 . 0 0 "[ . 1 . 2]" 1
335 1 34 LEU H 1 34 LEU MD2 4.690 . 4.690 4.214 4.196 4.244 . 0 0 "[ . 1 . 2]" 1
336 1 34 LEU MD2 1 35 GLN HA 5.500 . 5.500 4.656 4.443 4.874 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU H 1 17 LEU MD1 3.740 . 3.740 3.170 3.047 3.252 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU MD1 1 40 ALA HA 3.800 . 3.800 2.961 2.450 3.491 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU MD1 1 39 HIS HB3 3.930 . 3.930 1.930 1.831 2.014 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU HB3 1 17 LEU MD1 3.590 . 3.590 2.639 2.554 2.709 . 0 0 "[ . 1 . 2]" 1
341 1 17 LEU HB2 1 17 LEU MD1 3.580 . 3.580 2.098 1.983 2.185 . 0 0 "[ . 1 . 2]" 1
342 1 13 LYS HG2 1 17 LEU MD1 4.210 . 4.210 2.901 2.499 3.439 . 0 0 "[ . 1 . 2]" 1
343 1 14 ALA MB 1 17 LEU MD1 4.400 . 4.400 4.111 3.601 4.400 0.000 10 0 "[ . 1 . 2]" 1
344 1 61 ILE HG12 1 61 ILE MG 3.570 . 3.570 2.354 2.255 2.455 . 0 0 "[ . 1 . 2]" 1
345 1 61 ILE HG12 1 64 LYS HB2 4.730 . 4.730 4.727 4.667 4.732 0.002 10 0 "[ . 1 . 2]" 1
346 1 27 ALA MB 1 29 ASN H 3.590 . 3.590 2.969 2.827 3.589 . 0 0 "[ . 1 . 2]" 1
347 1 27 ALA MB 1 29 ASN HD22 5.020 . 5.020 4.794 4.433 5.020 . 0 0 "[ . 1 . 2]" 1
348 1 26 LYS H 1 27 ALA MB 4.390 . 4.390 4.301 4.190 4.358 . 0 0 "[ . 1 . 2]" 1
349 1 24 GLU HA 1 27 ALA MB 3.330 . 3.330 2.690 2.479 3.125 . 0 0 "[ . 1 . 2]" 1
350 1 23 GLN HA 1 27 ALA MB 4.480 . 4.480 4.158 3.995 4.348 . 0 0 "[ . 1 . 2]" 1
351 1 52 ALA MB 1 58 LYS H 4.840 . 4.840 3.596 3.464 3.720 . 0 0 "[ . 1 . 2]" 1
352 1 52 ALA MB 1 58 LYS HA 4.550 . 4.550 3.183 2.989 3.345 . 0 0 "[ . 1 . 2]" 1
353 1 52 ALA MB 1 58 LYS QE 4.820 . 4.820 2.040 1.865 2.528 . 0 0 "[ . 1 . 2]" 1
354 1 51 GLU QB 1 52 ALA MB 5.460 . 5.460 4.855 4.815 4.891 . 0 0 "[ . 1 . 2]" 1
355 1 52 ALA MB 1 58 LYS QD 4.010 . 4.010 3.279 3.013 3.591 . 0 0 "[ . 1 . 2]" 1
356 1 52 ALA MB 1 61 ILE MD 3.760 . 3.760 2.874 2.500 3.387 . 0 0 "[ . 1 . 2]" 1
357 1 57 ALA MB 1 61 ILE HG13 4.290 . 4.290 4.002 3.802 4.163 . 0 0 "[ . 1 . 2]" 1
358 1 52 ALA MB 1 57 ALA MB 3.910 . 3.910 2.938 2.496 3.161 . 0 0 "[ . 1 . 2]" 1
359 1 57 ALA MB 1 61 ILE HG12 5.480 . 5.480 4.988 4.729 5.078 . 0 0 "[ . 1 . 2]" 1
360 1 57 ALA MB 1 61 ILE MD 3.920 . 3.920 3.405 2.600 3.833 . 0 0 "[ . 1 . 2]" 1
361 1 26 LYS H 1 33 ALA MB 5.430 . 5.430 4.532 4.270 4.769 . 0 0 "[ . 1 . 2]" 1
362 1 33 ALA MB 1 37 TYR QD 4.350 . 4.350 3.345 3.102 3.530 . 0 0 "[ . 1 . 2]" 1
363 1 30 TYR HA 1 33 ALA MB 3.420 . 3.420 2.445 2.164 2.622 . 0 0 "[ . 1 . 2]" 1
364 1 25 ASP HB3 1 33 ALA MB 4.390 . 4.390 3.525 3.157 3.726 . 0 0 "[ . 1 . 2]" 1
365 1 25 ASP HB2 1 33 ALA MB 3.770 . 3.770 2.208 1.923 2.407 . 0 0 "[ . 1 . 2]" 1
366 1 24 GLU HB3 1 33 ALA MB 4.140 . 4.140 2.299 1.982 2.589 . 0 0 "[ . 1 . 2]" 1
367 1 33 ALA MB 1 36 LEU HB2 4.460 . 4.460 3.924 3.856 4.099 . 0 0 "[ . 1 . 2]" 1
368 1 33 ALA MB 1 75 LEU MD1 4.330 . 4.330 4.250 4.088 4.331 0.001 14 0 "[ . 1 . 2]" 1
369 1 33 ALA MB 1 36 LEU MD2 5.500 . 5.500 5.466 5.386 5.500 0.000 14 0 "[ . 1 . 2]" 1
370 1 33 ALA MB 1 79 LEU MD1 5.500 . 5.500 5.224 4.911 5.439 . 0 0 "[ . 1 . 2]" 1
371 1 33 ALA MB 1 36 LEU MD1 5.500 . 5.500 3.358 3.265 3.488 . 0 0 "[ . 1 . 2]" 1
372 1 21 ALA MB 1 33 ALA MB 4.170 . 4.170 3.066 2.800 3.295 . 0 0 "[ . 1 . 2]" 1
373 1 22 ALA MB 1 37 TYR QE 4.470 . 4.470 2.956 2.821 3.042 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU HB3 1 40 ALA MB 3.720 . 3.720 3.093 2.705 3.297 . 0 0 "[ . 1 . 2]" 1
375 1 17 LEU MD2 1 40 ALA MB 4.550 . 4.550 4.423 4.143 4.550 0.000 7 0 "[ . 1 . 2]" 1
376 1 17 LEU MD1 1 40 ALA MB 4.110 . 4.110 3.521 2.934 4.000 . 0 0 "[ . 1 . 2]" 1
377 1 21 ALA MB 1 22 ALA MB 4.900 . 4.900 3.621 3.548 3.686 . 0 0 "[ . 1 . 2]" 1
378 1 21 ALA MB 1 40 ALA MB 4.930 . 4.930 3.745 3.556 3.892 . 0 0 "[ . 1 . 2]" 1
379 1 37 TYR QE 1 72 ALA MB 4.850 . 4.850 4.420 4.244 4.797 . 0 0 "[ . 1 . 2]" 1
380 1 34 LEU HA 1 72 ALA MB 3.650 . 3.650 3.027 2.802 3.297 . 0 0 "[ . 1 . 2]" 1
381 1 37 TYR HB3 1 72 ALA MB 4.120 . 4.120 2.086 1.964 2.364 . 0 0 "[ . 1 . 2]" 1
382 1 38 GLN HG2 1 72 ALA MB 4.470 . 4.470 3.414 2.832 3.839 . 0 0 "[ . 1 . 2]" 1
383 1 38 GLN HG3 1 72 ALA MB 4.470 . 4.470 2.966 2.640 3.614 . 0 0 "[ . 1 . 2]" 1
384 1 69 LEU HG 1 72 ALA MB 5.500 . 5.500 4.819 3.678 5.184 . 0 0 "[ . 1 . 2]" 1
385 1 60 SER HA 1 63 ALA MB 3.490 . 3.490 3.280 3.155 3.440 . 0 0 "[ . 1 . 2]" 1
386 1 62 ARG QB 1 63 ALA MB 4.640 . 4.640 3.741 3.663 3.811 . 0 0 "[ . 1 . 2]" 1
387 1 15 ILE H 1 18 ALA MB 4.790 . 4.790 4.543 4.298 4.768 . 0 0 "[ . 1 . 2]" 1
388 1 18 ALA MB 1 37 TYR QE 5.330 . 5.330 4.850 4.619 5.134 . 0 0 "[ . 1 . 2]" 1
389 1 18 ALA MB 1 40 ALA HA 4.570 . 4.570 4.230 3.773 4.569 . 0 0 "[ . 1 . 2]" 1
390 1 18 ALA MB 1 40 ALA MB 3.330 . 3.330 2.229 1.928 2.663 . 0 0 "[ . 1 . 2]" 1
391 1 14 ALA MB 1 18 ALA MB 4.350 . 4.350 4.153 3.913 4.350 . 20 0 "[ . 1 . 2]" 1
392 1 18 ALA MB 1 21 ALA MB 4.770 . 4.770 3.953 3.745 4.251 . 0 0 "[ . 1 . 2]" 1
393 1 21 ALA H 1 22 ALA MB 4.630 . 4.630 4.349 4.248 4.416 . 0 0 "[ . 1 . 2]" 1
394 1 40 ALA MB 1 68 TYR HB2 4.510 . 4.510 4.214 3.332 4.472 . 0 0 "[ . 1 . 2]" 1
395 1 64 LYS QG 1 65 CYS H 5.500 . 5.500 4.147 4.045 4.200 . 0 0 "[ . 1 . 2]" 1
396 1 64 LYS QG 1 68 TYR QE 4.830 . 4.830 3.725 3.294 4.158 . 0 0 "[ . 1 . 2]" 1
397 1 64 LYS HA 1 64 LYS QG 3.890 . 3.890 2.375 2.245 2.523 . 0 0 "[ . 1 . 2]" 1
398 1 76 LYS HG2 1 77 GLU HA 4.890 . 4.890 4.493 4.183 4.888 . 0 0 "[ . 1 . 2]" 1
399 1 41 VAL MG2 1 65 CYS HA 3.380 . 3.380 2.858 2.589 3.191 . 0 0 "[ . 1 . 2]" 1
400 1 41 VAL MG2 1 69 LEU HG 3.550 . 3.550 2.149 1.930 3.556 0.006 14 0 "[ . 1 . 2]" 1
401 1 41 VAL MG2 1 69 LEU H 4.100 . 4.100 3.264 2.752 3.570 . 0 0 "[ . 1 . 2]" 1
402 1 41 VAL MG2 1 42 GLN H 4.400 . 4.400 3.767 3.653 3.806 . 0 0 "[ . 1 . 2]" 1
403 1 41 VAL HA 1 41 VAL MG2 3.330 . 3.330 2.470 2.385 2.505 . 0 0 "[ . 1 . 2]" 1
404 1 41 VAL MG2 1 68 TYR HB3 3.980 . 3.980 3.176 2.965 3.490 . 0 0 "[ . 1 . 2]" 1
405 1 41 VAL MG2 1 68 TYR HB2 3.660 . 3.660 2.556 2.281 2.685 . 0 0 "[ . 1 . 2]" 1
406 1 41 VAL MG2 1 69 LEU MD1 4.170 . 4.170 3.150 1.845 3.569 . 0 0 "[ . 1 . 2]" 1
407 1 41 VAL MG2 1 69 LEU MD2 4.170 . 4.170 2.555 2.169 3.725 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU MD1 1 76 LYS HG3 4.880 . 4.880 4.184 4.026 4.476 . 0 0 "[ . 1 . 2]" 1
409 1 34 LEU MD2 1 76 LYS HG3 4.470 . 4.470 4.361 4.280 4.470 0.000 11 0 "[ . 1 . 2]" 1
410 1 11 LEU HG 1 15 ILE MD 3.880 . 3.880 2.255 1.960 2.586 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU H 1 34 LEU HG 4.700 . 4.700 4.461 4.445 4.502 . 0 0 "[ . 1 . 2]" 1
412 1 64 LYS HA 1 64 LYS HD2 4.780 . 4.780 4.351 3.753 4.782 0.002 8 0 "[ . 1 . 2]" 1
413 1 64 LYS HA 1 64 LYS HD3 4.780 . 4.780 4.480 4.323 4.757 . 0 0 "[ . 1 . 2]" 1
414 1 24 GLU HB2 1 32 GLU HB3 4.870 . 4.870 4.416 4.001 4.694 . 0 0 "[ . 1 . 2]" 1
415 1 49 LYS HD2 1 50 TYR QE 5.500 . 5.500 4.332 2.534 5.501 0.001 7 0 "[ . 1 . 2]" 1
416 1 49 LYS HD3 1 50 TYR QE 5.500 . 5.500 3.597 2.631 5.153 . 0 0 "[ . 1 . 2]" 1
417 1 62 ARG HA 1 62 ARG HG3 4.150 . 4.150 2.889 2.459 3.608 . 0 0 "[ . 1 . 2]" 1
418 1 60 SER H 1 61 ILE HG13 4.900 . 4.900 4.069 3.929 4.216 . 0 0 "[ . 1 . 2]" 1
419 1 62 ARG H 1 62 ARG HG2 4.220 . 4.220 3.717 2.810 4.126 . 0 0 "[ . 1 . 2]" 1
420 1 52 ALA H 1 58 LYS QD 5.220 . 5.220 4.939 4.504 5.200 . 0 0 "[ . 1 . 2]" 1
421 1 58 LYS QD 1 59 GLN H 5.500 . 5.500 4.309 4.174 4.424 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLU HB3 1 36 LEU MD2 5.500 . 5.500 5.407 5.152 5.499 . 0 0 "[ . 1 . 2]" 1
423 1 32 GLU HB3 1 36 LEU MD1 5.500 . 5.500 3.237 2.957 3.390 . 0 0 "[ . 1 . 2]" 1
424 1 61 ILE MG 1 64 LYS HB2 4.910 . 4.910 3.391 3.111 3.551 . 0 0 "[ . 1 . 2]" 1
425 1 44 PHE QE 1 64 LYS HB3 4.770 . 4.770 4.178 3.771 4.577 . 0 0 "[ . 1 . 2]" 1
426 1 74 LYS HB3 1 75 LEU H 4.510 . 4.510 3.129 2.542 3.596 . 0 0 "[ . 1 . 2]" 1
427 1 58 LYS HB3 1 61 ILE MD 5.300 . 5.300 4.703 4.093 5.256 . 0 0 "[ . 1 . 2]" 1
428 1 52 ALA MB 1 58 LYS HB3 4.640 . 4.640 3.899 3.658 4.126 . 0 0 "[ . 1 . 2]" 1
429 1 46 HIS HA 1 49 LYS HB2 4.910 . 4.910 3.753 3.272 4.186 . 0 0 "[ . 1 . 2]" 1
430 1 61 ILE HB 1 62 ARG H 4.180 . 4.180 2.776 2.774 2.780 . 0 0 "[ . 1 . 2]" 1
431 1 34 LEU MD1 1 75 LEU HB3 4.360 . 4.360 2.330 1.958 2.954 . 0 0 "[ . 1 . 2]" 1
432 1 45 LEU HB3 1 46 HIS H 4.840 . 4.840 3.754 3.502 3.829 . 0 0 "[ . 1 . 2]" 1
433 1 41 VAL MG1 1 45 LEU HB3 5.060 . 5.060 4.534 4.296 4.661 . 0 0 "[ . 1 . 2]" 1
434 1 45 LEU HB3 1 45 LEU MD1 3.580 . 3.580 2.454 2.280 3.192 . 0 0 "[ . 1 . 2]" 1
435 1 21 ALA HA 1 36 LEU HB2 4.670 . 4.670 2.837 2.504 2.962 . 0 0 "[ . 1 . 2]" 1
436 1 17 LEU HB2 1 40 ALA HA 4.930 . 4.930 3.081 2.856 3.286 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU HB2 1 75 LEU HG 4.990 . 4.990 4.614 3.962 4.874 . 0 0 "[ . 1 . 2]" 1
438 1 79 LEU H 1 79 LEU HB3 4.050 . 4.050 3.546 3.526 3.563 . 0 0 "[ . 1 . 2]" 1
439 1 79 LEU HB3 1 80 LYS H 4.560 . 4.560 3.542 3.328 3.691 . 0 0 "[ . 1 . 2]" 1
440 1 76 LYS HA 1 79 LEU HB3 4.410 . 4.410 3.513 3.387 3.641 . 0 0 "[ . 1 . 2]" 1
441 1 17 LEU HB3 1 36 LEU HG 5.500 . 5.500 5.346 5.075 5.500 . 7 0 "[ . 1 . 2]" 1
442 1 67 GLU HA 1 70 ASP HB3 4.080 . 4.080 3.512 3.113 3.956 . 0 0 "[ . 1 . 2]" 1
443 1 16 ASP HB3 1 17 LEU HG 4.610 . 4.610 3.188 2.977 3.365 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLU H 1 31 GLU HG2 4.260 . 4.260 3.734 2.865 4.246 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLU HA 1 31 GLU HG2 3.980 . 3.980 2.474 2.113 3.404 . 0 0 "[ . 1 . 2]" 1
446 1 31 GLU HG2 1 79 LEU MD2 4.060 . 4.060 2.888 2.152 4.058 . 0 0 "[ . 1 . 2]" 1
447 1 31 GLU HG2 1 79 LEU MD1 4.120 . 4.120 2.892 2.107 4.117 . 0 0 "[ . 1 . 2]" 1
448 1 47 VAL HA 1 51 GLU QG 4.740 . 4.740 4.311 4.133 4.711 . 0 0 "[ . 1 . 2]" 1
449 1 50 TYR HA 1 51 GLU QG 4.350 . 4.350 4.158 3.956 4.344 . 0 0 "[ . 1 . 2]" 1
450 1 77 GLU HG3 1 78 TYR H 5.150 . 5.150 4.605 3.826 4.966 . 0 0 "[ . 1 . 2]" 1
451 1 32 GLU HG3 1 36 LEU HB2 5.500 . 5.500 5.179 4.420 5.495 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLU HG3 1 36 LEU MD2 4.680 . 4.680 3.741 3.505 4.038 . 0 0 "[ . 1 . 2]" 1
453 1 32 GLU H 1 32 GLU HG2 4.740 . 4.740 4.634 4.600 4.653 . 0 0 "[ . 1 . 2]" 1
454 1 77 GLU H 1 77 GLU HG3 4.680 . 4.680 4.049 2.836 4.498 . 0 0 "[ . 1 . 2]" 1
455 1 77 GLU HA 1 77 GLU HG3 3.960 . 3.960 2.685 2.178 3.616 . 0 0 "[ . 1 . 2]" 1
456 1 77 GLU H 1 77 GLU HG2 4.680 . 4.680 4.318 2.910 4.640 . 0 0 "[ . 1 . 2]" 1
457 1 77 GLU HA 1 77 GLU HG2 3.960 . 3.960 2.884 2.104 3.715 . 0 0 "[ . 1 . 2]" 1
458 1 77 GLU HG2 1 78 TYR H 5.150 . 5.150 4.325 3.542 4.936 . 0 0 "[ . 1 . 2]" 1
459 1 70 ASP HA 1 73 GLU HG3 4.910 . 4.910 3.553 3.245 4.402 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU H 1 32 GLU HG3 4.440 . 4.440 4.411 4.350 4.440 . 0 0 "[ . 1 . 2]" 1
461 1 32 GLU HA 1 32 GLU HG3 3.780 . 3.780 2.425 2.243 2.584 . 0 0 "[ . 1 . 2]" 1
462 1 32 GLU HG3 1 36 LEU MD1 4.680 . 4.680 2.592 1.944 3.078 . 0 0 "[ . 1 . 2]" 1
463 1 35 GLN HA 1 35 GLN HG2 3.980 . 3.980 2.734 2.126 3.840 . 0 0 "[ . 1 . 2]" 1
464 1 23 GLN HA 1 23 GLN HG2 4.040 . 4.040 2.281 2.147 2.536 . 0 0 "[ . 1 . 2]" 1
465 1 42 GLN H 1 42 GLN HG2 4.150 . 4.150 3.377 2.536 4.014 . 0 0 "[ . 1 . 2]" 1
466 1 35 GLN HA 1 35 GLN HG3 3.980 . 3.980 3.371 2.460 3.780 . 0 0 "[ . 1 . 2]" 1
467 1 23 GLN HA 1 23 GLN HG3 4.040 . 4.040 3.118 2.742 3.577 . 0 0 "[ . 1 . 2]" 1
468 1 53 GLN H 1 53 GLN HG2 4.340 . 4.340 2.758 2.000 4.086 . 0 0 "[ . 1 . 2]" 1
469 1 42 GLN H 1 42 GLN HG3 4.150 . 4.150 3.135 2.709 3.918 . 0 0 "[ . 1 . 2]" 1
470 1 53 GLN HG2 1 61 ILE MD 5.500 . 5.500 4.773 3.893 5.500 . 0 0 "[ . 1 . 2]" 1
471 1 76 LYS HB3 1 77 GLU H 4.350 . 4.350 4.055 4.038 4.084 . 0 0 "[ . 1 . 2]" 1
472 1 20 LYS HB3 1 20 LYS QD 3.470 . 3.470 2.558 1.997 3.124 . 0 0 "[ . 1 . 2]" 1
473 1 20 LYS HB2 1 23 GLN HB2 5.500 . 5.500 5.423 5.276 5.500 . 0 0 "[ . 1 . 2]" 1
474 1 20 LYS HB2 1 20 LYS QD 3.470 . 3.470 2.647 2.082 3.428 . 0 0 "[ . 1 . 2]" 1
475 1 58 LYS HB2 1 58 LYS QD 3.810 . 3.810 2.213 2.112 2.310 . 0 0 "[ . 1 . 2]" 1
476 1 50 TYR HA 1 51 GLU QB 4.750 . 4.750 4.563 4.478 4.652 . 0 0 "[ . 1 . 2]" 1
477 1 48 VAL HB 1 49 LYS H 4.020 . 4.020 2.685 2.562 2.725 . 0 0 "[ . 1 . 2]" 1
478 1 38 GLN HA 1 41 VAL HB 4.050 . 4.050 3.102 2.966 3.507 . 0 0 "[ . 1 . 2]" 1
479 1 41 VAL HB 1 69 LEU MD1 5.210 . 5.210 4.238 2.772 5.004 . 0 0 "[ . 1 . 2]" 1
480 1 20 LYS HB3 1 23 GLN HB2 5.500 . 5.500 5.062 4.548 5.426 . 0 0 "[ . 1 . 2]" 1
481 1 70 ASP HA 1 73 GLU HB3 4.290 . 4.290 4.068 3.721 4.290 . 0 0 "[ . 1 . 2]" 1
482 1 31 GLU HB2 1 79 LEU MD1 4.870 . 4.870 4.427 3.522 4.870 . 0 0 "[ . 1 . 2]" 1
483 1 76 LYS H 1 77 GLU QB 4.740 . 4.740 4.295 4.225 4.379 . 0 0 "[ . 1 . 2]" 1
484 1 77 GLU QB 1 79 LEU H 5.110 . 5.110 4.385 4.323 4.440 . 0 0 "[ . 1 . 2]" 1
485 1 74 LYS HA 1 77 GLU QB 3.300 . 3.300 2.265 2.132 2.405 . 0 0 "[ . 1 . 2]" 1
486 1 31 GLU HB3 1 79 LEU MD1 4.870 . 4.870 4.389 3.788 4.788 . 0 0 "[ . 1 . 2]" 1
487 1 15 ILE H 1 15 ILE HG12 3.860 . 3.860 3.427 3.195 3.605 . 0 0 "[ . 1 . 2]" 1
488 1 23 GLN HB3 1 24 GLU H 4.630 . 4.630 3.545 3.425 3.713 . 0 0 "[ . 1 . 2]" 1
489 1 23 GLN H 1 23 GLN HB2 3.720 . 3.720 2.228 2.186 2.334 . 0 0 "[ . 1 . 2]" 1
490 1 59 GLN H 1 59 GLN HB3 3.720 . 3.720 3.117 2.573 3.540 . 0 0 "[ . 1 . 2]" 1
491 1 35 GLN H 1 35 GLN HB3 3.890 . 3.890 3.350 2.559 3.593 . 0 0 "[ . 1 . 2]" 1
492 1 38 GLN HB3 1 41 VAL HB 5.040 . 5.040 4.735 4.531 5.040 0.000 14 0 "[ . 1 . 2]" 1
493 1 35 GLN HA 1 38 GLN HB3 5.000 . 5.000 4.818 4.651 4.938 . 0 0 "[ . 1 . 2]" 1
494 1 79 LEU HA 1 79 LEU HG 4.100 . 4.100 2.816 2.689 2.927 . 0 0 "[ . 1 . 2]" 1
495 1 69 LEU H 1 69 LEU HG 4.720 . 4.720 2.881 2.738 4.452 . 0 0 "[ . 1 . 2]" 1
496 1 41 VAL MG1 1 45 LEU HG 3.990 . 3.990 2.493 1.977 3.992 0.002 12 0 "[ . 1 . 2]" 1
497 1 41 VAL MG1 1 65 CYS HB2 4.810 . 4.810 3.966 2.419 4.321 . 0 0 "[ . 1 . 2]" 1
498 1 61 ILE MG 1 65 CYS HB2 5.500 . 5.500 3.301 2.627 4.127 . 0 0 "[ . 1 . 2]" 1
499 1 47 VAL HB 1 61 ILE MD 5.500 . 5.500 3.145 2.757 4.350 . 0 0 "[ . 1 . 2]" 1
500 1 17 LEU MD2 1 39 HIS HB2 4.470 . 4.470 2.861 2.638 3.123 . 0 0 "[ . 1 . 2]" 1
501 1 17 LEU MD1 1 39 HIS HB2 3.930 . 3.930 2.977 2.514 3.269 . 0 0 "[ . 1 . 2]" 1
502 1 39 HIS HB3 1 40 ALA H 4.310 . 4.310 3.235 3.155 3.501 . 0 0 "[ . 1 . 2]" 1
503 1 39 HIS H 1 39 HIS HB3 3.780 . 3.780 3.503 3.493 3.537 . 0 0 "[ . 1 . 2]" 1
504 1 36 LEU HA 1 39 HIS HB3 4.500 . 4.500 4.051 3.931 4.226 . 0 0 "[ . 1 . 2]" 1
505 1 17 LEU MD2 1 39 HIS HB3 4.470 . 4.470 2.867 2.619 3.069 . 0 0 "[ . 1 . 2]" 1
506 1 29 ASN HB3 1 33 ALA MB 4.550 . 4.550 4.083 3.745 4.345 . 0 0 "[ . 1 . 2]" 1
507 1 24 GLU HB3 1 29 ASN HB3 4.110 . 4.110 3.277 2.384 3.629 . 0 0 "[ . 1 . 2]" 1
508 1 29 ASN HB3 1 32 GLU HB2 4.210 . 4.210 3.244 3.000 3.536 . 0 0 "[ . 1 . 2]" 1
509 1 29 ASN HB3 1 32 GLU HB3 4.590 . 4.590 2.798 2.383 3.180 . 0 0 "[ . 1 . 2]" 1
510 1 38 GLN HA 1 38 GLN HG2 4.000 . 4.000 2.610 2.329 2.928 . 0 0 "[ . 1 . 2]" 1
511 1 27 ALA MB 1 29 ASN HB2 5.000 . 5.000 3.972 3.511 4.177 . 0 0 "[ . 1 . 2]" 1
512 1 29 ASN HB2 1 33 ALA MB 5.220 . 5.220 3.675 3.434 4.048 . 0 0 "[ . 1 . 2]" 1
513 1 24 GLU HB3 1 29 ASN HB2 4.230 . 4.230 2.262 2.003 2.583 . 0 0 "[ . 1 . 2]" 1
514 1 29 ASN HB2 1 32 GLU HB2 5.500 . 5.500 4.584 4.210 4.882 . 0 0 "[ . 1 . 2]" 1
515 1 24 GLU HB2 1 29 ASN HB2 4.630 . 4.630 3.960 3.703 4.302 . 0 0 "[ . 1 . 2]" 1
516 1 37 TYR QE 1 68 TYR HB3 4.710 . 4.710 4.576 4.342 4.710 . 0 0 "[ . 1 . 2]" 1
517 1 78 TYR HA 1 81 ASN HB2 4.760 . 4.760 2.554 2.054 3.329 . 0 0 "[ . 1 . 2]" 1
518 1 81 ASN H 1 81 ASN HB2 3.870 . 3.870 2.257 2.147 2.513 . 0 0 "[ . 1 . 2]" 1
519 1 30 TYR HB3 1 75 LEU MD1 4.440 . 4.440 4.123 4.029 4.203 . 0 0 "[ . 1 . 2]" 1
520 1 30 TYR HB2 1 79 LEU HG 5.500 . 5.500 5.079 4.678 5.501 0.001 12 0 "[ . 1 . 2]" 1
521 1 78 TYR QB 1 79 LEU HG 5.500 . 5.500 4.710 4.632 4.799 . 0 0 "[ . 1 . 2]" 1
522 1 30 TYR HB2 1 79 LEU MD2 4.310 . 4.310 3.728 3.477 4.128 . 0 0 "[ . 1 . 2]" 1
523 1 75 LEU HA 1 78 TYR QB 4.580 . 4.580 4.583 4.573 4.590 0.010 13 0 "[ . 1 . 2]" 1
524 1 77 GLU QB 1 78 TYR QB 4.910 . 4.910 3.546 3.421 3.720 . 0 0 "[ . 1 . 2]" 1
525 1 15 ILE HB 1 16 ASP HB2 4.970 . 4.970 4.196 4.110 4.322 . 0 0 "[ . 1 . 2]" 1
526 1 55 ASP QB 1 56 LYS HA 5.500 . 5.500 3.842 3.753 4.113 . 0 0 "[ . 1 . 2]" 1
527 1 44 PHE HB2 1 45 LEU MD1 5.470 . 5.470 4.585 2.758 4.970 . 0 0 "[ . 1 . 2]" 1
528 1 44 PHE HB2 1 45 LEU MD2 5.470 . 5.470 4.393 4.232 5.095 . 0 0 "[ . 1 . 2]" 1
529 1 41 VAL HA 1 44 PHE HB3 4.020 . 4.020 3.731 3.626 4.003 . 0 0 "[ . 1 . 2]" 1
530 1 74 LYS HA 1 74 LYS QE 5.400 . 5.400 4.241 2.954 4.722 . 0 0 "[ . 1 . 2]" 1
531 1 20 LYS QE 1 36 LEU MD2 4.240 . 4.240 3.113 1.950 4.212 . 0 0 "[ . 1 . 2]" 1
532 1 20 LYS QE 1 36 LEU MD1 4.240 . 4.240 3.090 1.953 4.239 . 0 0 "[ . 1 . 2]" 1
533 1 64 LYS HA 1 64 LYS QE 4.770 . 4.770 4.502 4.339 4.770 0.000 20 0 "[ . 1 . 2]" 1
534 1 61 ILE HG13 1 64 LYS QE 4.890 . 4.890 4.620 3.354 4.891 0.001 8 0 "[ . 1 . 2]" 1
535 1 64 LYS HB3 1 64 LYS QE 3.930 . 3.930 2.706 2.382 3.528 . 0 0 "[ . 1 . 2]" 1
536 1 15 ILE MD 1 64 LYS QE 5.500 . 5.500 4.890 4.200 5.497 . 0 0 "[ . 1 . 2]" 1
537 1 61 ILE MD 1 64 LYS QE 5.500 . 5.500 4.894 4.279 5.501 0.001 20 0 "[ . 1 . 2]" 1
538 1 49 LYS QE 1 49 LYS HG2 3.860 . 3.860 2.412 2.024 3.347 . 0 0 "[ . 1 . 2]" 1
539 1 49 LYS QE 1 50 TYR HA 4.450 . 4.450 4.026 3.319 4.451 0.001 9 0 "[ . 1 . 2]" 1
540 1 49 LYS HB3 1 49 LYS QE 4.610 . 4.610 3.216 2.486 4.154 . 0 0 "[ . 1 . 2]" 1
541 1 49 LYS QE 1 49 LYS HG3 3.860 . 3.860 2.899 2.023 3.495 . 0 0 "[ . 1 . 2]" 1
542 1 13 LYS HE2 1 17 LEU MD2 5.500 . 5.500 4.480 3.381 5.367 . 0 0 "[ . 1 . 2]" 1
543 1 13 LYS HE3 1 17 LEU MD2 5.500 . 5.500 4.296 2.554 5.271 . 0 0 "[ . 1 . 2]" 1
544 1 25 ASP HB2 1 30 TYR HA 4.880 . 4.880 3.864 3.451 4.210 . 0 0 "[ . 1 . 2]" 1
545 1 55 ASP HA 1 58 LYS QE 4.580 . 4.580 3.564 2.680 4.402 . 0 0 "[ . 1 . 2]" 1
546 1 41 VAL HA 1 44 PHE H 4.330 . 4.330 3.458 3.331 3.535 . 0 0 "[ . 1 . 2]" 1
547 1 41 VAL HA 1 44 PHE QD 3.780 . 3.780 2.591 2.392 2.663 . 0 0 "[ . 1 . 2]" 1
548 1 41 VAL HA 1 44 PHE HB2 3.950 . 3.950 2.279 2.207 2.424 . 0 0 "[ . 1 . 2]" 1
549 1 41 VAL HA 1 45 LEU MD1 5.410 . 5.410 4.010 2.894 4.328 . 0 0 "[ . 1 . 2]" 1
550 1 41 VAL HA 1 45 LEU MD2 5.410 . 5.410 4.562 4.381 4.758 . 0 0 "[ . 1 . 2]" 1
551 1 66 THR HA 1 69 LEU HB3 4.400 . 4.400 3.839 2.841 4.105 . 0 0 "[ . 1 . 2]" 1
552 1 66 THR HA 1 69 LEU HB2 4.400 . 4.400 2.503 2.167 3.464 . 0 0 "[ . 1 . 2]" 1
553 1 47 VAL HA 1 47 VAL MG1 3.540 . 3.540 2.360 2.207 3.201 . 0 0 "[ . 1 . 2]" 1
554 1 48 VAL HA 1 58 LYS QD 5.120 . 5.120 5.063 4.645 5.121 0.001 3 0 "[ . 1 . 2]" 1
555 1 48 VAL HA 1 52 ALA MB 3.540 . 3.540 2.081 1.959 2.264 . 0 0 "[ . 1 . 2]" 1
556 1 61 ILE HA 1 61 ILE HG13 3.820 . 3.820 3.070 2.880 3.169 . 0 0 "[ . 1 . 2]" 1
557 1 61 ILE HA 1 64 LYS HB2 4.110 . 4.110 2.437 2.320 2.539 . 0 0 "[ . 1 . 2]" 1
558 1 61 ILE HA 1 64 LYS HB3 4.420 . 4.420 4.074 3.931 4.215 . 0 0 "[ . 1 . 2]" 1
559 1 61 ILE HA 1 64 LYS QG 4.650 . 4.650 3.492 3.058 3.846 . 0 0 "[ . 1 . 2]" 1
560 1 61 ILE HA 1 61 ILE HG12 3.820 . 3.820 2.654 2.584 2.786 . 0 0 "[ . 1 . 2]" 1
561 1 61 ILE HA 1 61 ILE MG 3.450 . 3.450 2.307 2.253 2.386 . 0 0 "[ . 1 . 2]" 1
562 1 15 ILE HA 1 15 ILE HG12 3.740 . 3.740 2.752 2.603 3.012 . 0 0 "[ . 1 . 2]" 1
563 1 15 ILE HA 1 18 ALA MB 3.700 . 3.700 2.447 2.207 2.829 . 0 0 "[ . 1 . 2]" 1
564 1 15 ILE HA 1 15 ILE HG13 3.740 . 3.740 2.981 2.697 3.174 . 0 0 "[ . 1 . 2]" 1
565 1 14 ALA MB 1 15 ILE HA 4.940 . 4.940 3.833 3.771 3.871 . 0 0 "[ . 1 . 2]" 1
566 1 60 SER HB2 1 61 ILE HG13 5.500 . 5.500 4.282 3.361 4.807 . 0 0 "[ . 1 . 2]" 1
567 1 60 SER HB3 1 61 ILE HG13 5.500 . 5.500 3.200 2.853 3.996 . 0 0 "[ . 1 . 2]" 1
568 1 57 ALA MB 1 60 SER HB2 5.500 . 5.500 4.422 3.943 4.853 . 0 0 "[ . 1 . 2]" 1
569 1 57 ALA MB 1 60 SER HB3 5.500 . 5.500 4.480 4.025 5.266 . 0 0 "[ . 1 . 2]" 1
570 1 37 TYR HA 1 37 TYR QE 4.380 . 4.380 4.249 4.220 4.301 . 0 0 "[ . 1 . 2]" 1
571 1 37 TYR HA 1 40 ALA MB 3.710 . 3.710 2.951 2.683 3.120 . 0 0 "[ . 1 . 2]" 1
572 1 75 LEU HA 1 75 LEU HG 4.270 . 4.270 2.275 2.175 2.527 . 0 0 "[ . 1 . 2]" 1
573 1 75 LEU HA 1 75 LEU MD1 4.570 . 4.570 2.637 2.246 2.898 . 0 0 "[ . 1 . 2]" 1
574 1 64 LYS HA 1 67 GLU HB2 4.000 . 4.000 3.265 3.097 3.403 . 0 0 "[ . 1 . 2]" 1
575 1 64 LYS HA 1 67 GLU HB3 4.000 . 4.000 2.552 2.465 2.697 . 0 0 "[ . 1 . 2]" 1
576 1 69 LEU HA 1 69 LEU HG 4.080 . 4.080 2.739 2.528 2.828 . 0 0 "[ . 1 . 2]" 1
577 1 69 LEU HA 1 72 ALA MB 3.700 . 3.700 2.754 2.481 3.083 . 0 0 "[ . 1 . 2]" 1
578 1 45 LEU HA 1 48 VAL HB 3.730 . 3.730 2.811 2.591 3.302 . 0 0 "[ . 1 . 2]" 1
579 1 11 LEU HA 1 11 LEU HG 3.990 . 3.990 2.796 2.735 2.856 . 0 0 "[ . 1 . 2]" 1
580 1 79 LEU HA 1 79 LEU MD1 4.160 . 4.160 3.833 3.823 3.842 . 0 0 "[ . 1 . 2]" 1
581 1 25 ASP HA 1 30 TYR HA 4.620 . 4.620 3.019 2.609 3.345 . 0 0 "[ . 1 . 2]" 1
582 1 25 ASP HA 1 33 ALA MB 3.700 . 3.700 2.886 2.726 2.999 . 0 0 "[ . 1 . 2]" 1
583 1 40 ALA HA 1 43 TYR H 4.790 . 4.790 3.654 3.542 3.752 . 0 0 "[ . 1 . 2]" 1
584 1 17 LEU HB3 1 40 ALA HA 4.260 . 4.260 4.141 3.920 4.260 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU HA 1 72 ALA HA 4.640 . 4.640 3.435 3.184 3.673 . 0 0 "[ . 1 . 2]" 1
586 1 37 TYR QE 1 72 ALA HA 4.830 . 4.830 4.400 4.143 4.749 . 0 0 "[ . 1 . 2]" 1
587 1 72 ALA HA 1 75 LEU HB2 4.270 . 4.270 2.347 2.175 2.592 . 0 0 "[ . 1 . 2]" 1
588 1 72 ALA HA 1 75 LEU HG 5.120 . 5.120 5.073 4.942 5.121 0.001 17 0 "[ . 1 . 2]" 1
589 1 34 LEU HB2 1 72 ALA HA 4.510 . 4.510 4.339 4.060 4.511 0.001 11 0 "[ . 1 . 2]" 1
590 1 72 ALA HA 1 75 LEU HB3 4.270 . 4.270 3.598 3.139 4.172 . 0 0 "[ . 1 . 2]" 1
591 1 72 ALA HA 1 75 LEU MD1 4.960 . 4.960 3.195 2.506 3.475 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU MD2 1 72 ALA HA 4.760 . 4.760 4.613 4.335 4.760 0.000 15 0 "[ . 1 . 2]" 1
593 1 72 ALA HA 1 75 LEU MD2 4.960 . 4.960 3.315 2.965 3.606 . 0 0 "[ . 1 . 2]" 1
594 1 21 ALA HA 1 33 ALA HA 3.810 . 3.810 2.556 2.260 2.799 . 0 0 "[ . 1 . 2]" 1
595 1 24 GLU HB3 1 33 ALA HA 4.870 . 4.870 3.499 3.228 3.820 . 0 0 "[ . 1 . 2]" 1
596 1 24 GLU HB2 1 33 ALA HA 4.240 . 4.240 2.848 2.566 3.101 . 0 0 "[ . 1 . 2]" 1
597 1 33 ALA HA 1 36 LEU HB2 4.450 . 4.450 2.538 2.296 2.793 . 0 0 "[ . 1 . 2]" 1
598 1 21 ALA MB 1 33 ALA HA 4.230 . 4.230 2.970 2.776 3.197 . 0 0 "[ . 1 . 2]" 1
599 1 14 ALA HA 1 16 ASP H 5.270 . 5.270 4.473 4.323 4.660 . 0 0 "[ . 1 . 2]" 1
600 1 14 ALA HA 1 40 ALA HA 3.810 . 3.810 2.310 2.087 2.778 . 0 0 "[ . 1 . 2]" 1
601 1 14 ALA HA 1 17 LEU HB3 5.180 . 5.180 4.905 4.669 5.180 . 16 0 "[ . 1 . 2]" 1
602 1 14 ALA HA 1 17 LEU HB2 4.600 . 4.600 3.279 3.018 3.538 . 0 0 "[ . 1 . 2]" 1
603 1 14 ALA HA 1 17 LEU MD1 4.140 . 4.140 2.890 2.228 3.269 . 0 0 "[ . 1 . 2]" 1
604 1 14 ALA HA 1 40 ALA MB 4.250 . 4.250 3.313 3.125 3.916 . 0 0 "[ . 1 . 2]" 1
605 1 21 ALA HA 1 24 GLU HB2 3.910 . 3.910 2.510 2.347 2.741 . 0 0 "[ . 1 . 2]" 1
606 1 21 ALA HA 1 33 ALA MB 4.310 . 4.310 3.012 2.688 3.282 . 0 0 "[ . 1 . 2]" 1
607 1 21 ALA HA 1 36 LEU HB3 4.320 . 4.320 3.504 3.236 3.809 . 0 0 "[ . 1 . 2]" 1
608 1 62 ARG QB 1 63 ALA HA 5.060 . 5.060 3.839 3.799 3.881 . 0 0 "[ . 1 . 2]" 1
609 1 63 ALA HA 1 66 THR MG 4.610 . 4.610 1.948 1.898 2.060 . 0 0 "[ . 1 . 2]" 1
610 1 63 ALA HA 1 66 THR H 4.450 . 4.450 3.686 3.622 3.744 . 0 0 "[ . 1 . 2]" 1
611 1 55 ASP HA 1 59 GLN H 4.910 . 4.910 4.417 3.962 4.689 . 0 0 "[ . 1 . 2]" 1
612 1 55 ASP HA 1 58 LYS HB2 3.850 . 3.850 3.189 2.866 3.515 . 0 0 "[ . 1 . 2]" 1
613 1 55 ASP HA 1 58 LYS QD 4.080 . 4.080 2.153 1.991 2.541 . 0 0 "[ . 1 . 2]" 1
614 1 18 ALA HA 1 40 ALA MB 3.980 . 3.980 2.754 2.429 3.024 . 0 0 "[ . 1 . 2]" 1
615 1 18 ALA HA 1 21 ALA MB 3.460 . 3.460 2.712 2.446 2.994 . 0 0 "[ . 1 . 2]" 1
616 1 57 ALA HA 1 60 SER H 4.860 . 4.860 3.496 3.469 3.550 . 0 0 "[ . 1 . 2]" 1
617 1 57 ALA HA 1 60 SER HB2 4.460 . 4.460 2.935 2.440 3.409 . 0 0 "[ . 1 . 2]" 1
618 1 57 ALA HA 1 60 SER HB3 4.460 . 4.460 3.423 2.718 4.398 . 0 0 "[ . 1 . 2]" 1
619 1 57 ALA HA 1 61 ILE HG13 4.700 . 4.700 4.278 3.952 4.495 . 0 0 "[ . 1 . 2]" 1
620 1 22 ALA HA 1 25 ASP HB3 3.720 . 3.720 3.508 3.228 3.720 . 10 0 "[ . 1 . 2]" 1
621 1 22 ALA HA 1 25 ASP HB2 4.740 . 4.740 4.130 3.818 4.455 . 0 0 "[ . 1 . 2]" 1
622 1 52 ALA HA 1 57 ALA MB 4.800 . 4.800 4.721 4.483 4.801 0.001 11 0 "[ . 1 . 2]" 1
623 1 46 HIS HB2 1 47 VAL H 4.280 . 4.280 3.895 3.701 4.000 . 0 0 "[ . 1 . 2]" 1
624 1 10 ASN HA 1 13 LYS HB2 4.150 . 4.150 3.621 3.376 4.052 . 0 0 "[ . 1 . 2]" 1
625 1 10 ASN HA 1 13 LYS HB3 3.910 . 3.910 3.337 2.818 3.862 . 0 0 "[ . 1 . 2]" 1
626 1 53 GLN HA 1 54 GLY H 3.570 . 3.570 3.545 3.495 3.572 0.002 14 0 "[ . 1 . 2]" 1
627 1 53 GLN HA 1 57 ALA MB 4.890 . 4.890 4.209 4.049 4.663 . 0 0 "[ . 1 . 2]" 1
628 1 52 ALA MB 1 53 GLN HA 4.830 . 4.830 4.126 4.086 4.181 . 0 0 "[ . 1 . 2]" 1
629 1 70 ASP HA 1 73 GLU HG2 4.910 . 4.910 4.736 4.425 4.911 0.001 8 0 "[ . 1 . 2]" 1
630 1 70 ASP HA 1 73 GLU HB2 4.290 . 4.290 2.589 2.272 2.802 . 0 0 "[ . 1 . 2]" 1
631 1 15 ILE MG 1 16 ASP HA 4.250 . 4.250 3.765 3.676 3.851 . 0 0 "[ . 1 . 2]" 1
632 1 39 HIS HA 1 43 TYR H 4.980 . 4.980 4.218 4.058 4.391 . 0 0 "[ . 1 . 2]" 1
633 1 38 GLN HB2 1 39 HIS HA 4.680 . 4.680 4.313 4.174 4.467 . 0 0 "[ . 1 . 2]" 1
634 1 39 HIS HA 1 42 GLN HB3 4.920 . 4.920 4.094 3.917 4.401 . 0 0 "[ . 1 . 2]" 1
635 1 39 HIS HA 1 42 GLN HB2 4.230 . 4.230 2.544 2.384 2.808 . 0 0 "[ . 1 . 2]" 1
636 1 24 GLU HA 1 29 ASN HB2 4.420 . 4.420 3.084 2.487 3.382 . 0 0 "[ . 1 . 2]" 1
637 1 23 GLN HA 1 24 GLU HA 5.290 . 5.290 4.785 4.755 4.819 . 0 0 "[ . 1 . 2]" 1
638 1 24 GLU HA 1 25 ASP HA 5.500 . 5.500 4.767 4.739 4.790 . 0 0 "[ . 1 . 2]" 1
639 1 67 GLU H 1 67 GLU HG3 4.660 . 4.660 4.441 4.407 4.490 . 0 0 "[ . 1 . 2]" 1
640 1 52 ALA H 1 58 LYS QE 4.620 . 4.620 3.137 2.655 3.915 . 0 0 "[ . 1 . 2]" 1
641 1 25 ASP HB2 1 26 LYS H 4.290 . 4.290 3.713 3.508 3.949 . 0 0 "[ . 1 . 2]" 1
642 1 41 VAL MG2 1 69 LEU HA 4.650 . 4.650 3.257 2.554 3.591 . 0 0 "[ . 1 . 2]" 1
643 1 57 ALA MB 1 58 LYS QG 4.960 . 4.960 3.146 3.045 3.370 . 0 0 "[ . 1 . 2]" 1
644 1 48 VAL MG1 1 58 LYS QG 4.660 . 4.660 2.269 1.895 2.692 . 0 0 "[ . 1 . 2]" 1
645 1 48 VAL MG2 1 58 LYS QG 4.660 . 4.660 3.409 2.557 3.828 . 0 0 "[ . 1 . 2]" 1
646 1 14 ALA MB 1 15 ILE MD 4.410 . 4.410 4.078 3.750 4.247 . 0 0 "[ . 1 . 2]" 1
647 1 16 ASP HB2 1 17 LEU HG 5.010 . 5.010 4.797 4.537 5.007 . 0 0 "[ . 1 . 2]" 1
648 1 15 ILE HB 1 16 ASP HB3 5.500 . 5.500 5.417 5.316 5.500 . 16 0 "[ . 1 . 2]" 1
649 1 16 ASP HB3 1 17 LEU HB3 5.500 . 5.500 5.499 5.492 5.502 0.002 14 0 "[ . 1 . 2]" 1
650 1 36 LEU MD2 1 37 TYR H 4.970 . 4.970 4.820 4.776 4.861 . 0 0 "[ . 1 . 2]" 1
651 1 20 LYS H 1 20 LYS HG3 4.610 . 4.610 3.671 2.505 4.523 . 0 0 "[ . 1 . 2]" 1
652 1 30 TYR HB3 1 79 LEU MD1 4.770 . 4.770 2.880 2.637 3.110 . 0 0 "[ . 1 . 2]" 1
653 1 30 TYR HB2 1 79 LEU MD1 4.890 . 4.890 3.813 3.527 4.216 . 0 0 "[ . 1 . 2]" 1
654 1 31 GLU HA 1 34 LEU HB3 4.030 . 4.030 3.084 2.941 3.265 . 0 0 "[ . 1 . 2]" 1
655 1 47 VAL HA 1 50 TYR HB2 3.800 . 3.800 2.907 2.644 3.620 . 0 0 "[ . 1 . 2]" 1
656 1 45 LEU H 1 61 ILE MG 4.960 . 4.960 4.119 3.903 4.575 . 0 0 "[ . 1 . 2]" 1
657 1 44 PHE H 1 61 ILE MG 5.120 . 5.120 4.660 4.533 4.746 . 0 0 "[ . 1 . 2]" 1
658 1 37 TYR HB2 1 72 ALA MB 4.120 . 4.120 2.113 1.970 2.490 . 0 0 "[ . 1 . 2]" 1
659 1 48 VAL MG1 1 61 ILE HB 4.510 . 4.510 3.767 3.344 4.510 0.000 10 0 "[ . 1 . 2]" 1
660 1 34 LEU HB3 1 79 LEU MD1 3.820 . 3.820 3.471 3.156 3.705 . 0 0 "[ . 1 . 2]" 1
661 1 18 ALA H 1 40 ALA HA 4.620 . 4.620 4.344 4.148 4.620 . 0 0 "[ . 1 . 2]" 1
662 1 15 ILE HA 1 18 ALA H 4.130 . 4.130 3.467 3.297 3.713 . 0 0 "[ . 1 . 2]" 1
663 1 14 ALA HA 1 18 ALA H 4.710 . 4.710 4.191 4.016 4.424 . 0 0 "[ . 1 . 2]" 1
664 1 17 LEU HB3 1 18 ALA H 3.780 . 3.780 3.617 3.487 3.773 . 0 0 "[ . 1 . 2]" 1
665 1 18 ALA H 1 40 ALA MB 3.640 . 3.640 2.824 2.586 3.198 . 0 0 "[ . 1 . 2]" 1
666 1 18 ALA H 1 18 ALA MB 3.100 . 3.100 2.152 2.098 2.238 . 0 0 "[ . 1 . 2]" 1
667 1 17 LEU MD2 1 18 ALA H 4.990 . 4.990 4.853 4.794 4.901 . 0 0 "[ . 1 . 2]" 1
668 1 17 LEU MD1 1 18 ALA H 4.890 . 4.890 4.309 3.978 4.470 . 0 0 "[ . 1 . 2]" 1
669 1 14 ALA MB 1 18 ALA H 5.260 . 5.260 4.802 4.680 4.899 . 0 0 "[ . 1 . 2]" 1
670 1 18 ALA H 1 21 ALA MB 5.500 . 5.500 4.523 4.292 4.738 . 0 0 "[ . 1 . 2]" 1
671 1 11 LEU H 1 12 GLN H 3.550 . 3.550 2.569 2.468 2.676 . 0 0 "[ . 1 . 2]" 1
672 1 12 GLN H 1 14 ALA H 4.880 . 4.880 4.089 3.983 4.199 . 0 0 "[ . 1 . 2]" 1
673 1 12 GLN H 1 13 LYS HA 5.500 . 5.500 5.292 5.268 5.358 . 0 0 "[ . 1 . 2]" 1
674 1 12 GLN H 1 12 GLN HB2 3.710 . 3.710 2.339 2.196 2.458 . 0 0 "[ . 1 . 2]" 1
675 1 12 GLN H 1 12 GLN HB3 3.710 . 3.710 2.755 2.587 3.500 . 0 0 "[ . 1 . 2]" 1
676 1 11 LEU HG 1 12 GLN H 4.990 . 4.990 3.967 3.763 4.200 . 0 0 "[ . 1 . 2]" 1
677 1 12 GLN H 1 13 LYS HB2 5.500 . 5.500 4.898 4.673 5.093 . 0 0 "[ . 1 . 2]" 1
678 1 11 LEU MD1 1 12 GLN H 5.500 . 5.500 4.764 4.687 4.825 . 0 0 "[ . 1 . 2]" 1
679 1 11 LEU MD2 1 12 GLN H 5.500 . 5.500 3.945 3.696 4.230 . 0 0 "[ . 1 . 2]" 1
680 1 12 GLN H 1 13 LYS H 3.490 . 3.490 2.681 2.659 2.773 . 0 0 "[ . 1 . 2]" 1
681 1 11 LEU H 1 13 LYS H 4.850 . 4.850 4.039 3.883 4.366 . 0 0 "[ . 1 . 2]" 1
682 1 10 ASN HA 1 13 LYS H 4.120 . 4.120 3.615 3.479 3.750 . 0 0 "[ . 1 . 2]" 1
683 1 11 LEU HA 1 13 LYS H 4.920 . 4.920 4.188 4.005 4.565 . 0 0 "[ . 1 . 2]" 1
684 1 12 GLN HB2 1 13 LYS H 3.890 . 3.890 3.775 3.012 3.890 0.000 8 0 "[ . 1 . 2]" 1
685 1 12 GLN HB3 1 13 LYS H 3.890 . 3.890 2.774 2.394 3.503 . 0 0 "[ . 1 . 2]" 1
686 1 13 LYS H 1 13 LYS HB2 3.270 . 3.270 2.435 2.191 2.678 . 0 0 "[ . 1 . 2]" 1
687 1 13 LYS H 1 13 LYS HB3 3.420 . 3.420 2.687 2.474 2.942 . 0 0 "[ . 1 . 2]" 1
688 1 13 LYS H 1 13 LYS HG3 4.700 . 4.700 4.336 4.141 4.526 . 0 0 "[ . 1 . 2]" 1
689 1 14 ALA H 1 16 ASP H 4.910 . 4.910 4.021 3.971 4.128 . 0 0 "[ . 1 . 2]" 1
690 1 14 ALA H 1 17 LEU H 5.500 . 5.500 4.861 4.772 5.011 . 0 0 "[ . 1 . 2]" 1
691 1 14 ALA H 1 15 ILE H 3.660 . 3.660 2.633 2.511 2.733 . 0 0 "[ . 1 . 2]" 1
692 1 13 LYS H 1 14 ALA H 3.470 . 3.470 2.477 2.363 2.611 . 0 0 "[ . 1 . 2]" 1
693 1 10 ASN HA 1 14 ALA H 4.920 . 4.920 4.445 4.217 4.561 . 0 0 "[ . 1 . 2]" 1
694 1 11 LEU HA 1 14 ALA H 3.930 . 3.930 3.289 3.178 3.396 . 0 0 "[ . 1 . 2]" 1
695 1 14 ALA H 1 43 TYR HB2 4.580 . 4.580 3.642 3.378 3.965 . 0 0 "[ . 1 . 2]" 1
696 1 14 ALA H 1 43 TYR HB3 4.580 . 4.580 3.425 3.172 3.671 . 0 0 "[ . 1 . 2]" 1
697 1 14 ALA H 1 15 ILE HB 5.190 . 5.190 5.037 4.916 5.118 . 0 0 "[ . 1 . 2]" 1
698 1 13 LYS HB2 1 14 ALA H 4.170 . 4.170 3.810 3.569 4.008 . 0 0 "[ . 1 . 2]" 1
699 1 13 LYS HB3 1 14 ALA H 3.700 . 3.700 2.808 2.641 2.921 . 0 0 "[ . 1 . 2]" 1
700 1 14 ALA H 1 14 ALA MB 3.120 . 3.120 2.203 2.104 2.247 . 0 0 "[ . 1 . 2]" 1
701 1 12 GLN H 1 15 ILE H 5.500 . 5.500 4.969 4.915 5.029 . 0 0 "[ . 1 . 2]" 1
702 1 70 ASP H 1 73 GLU H 5.500 . 5.500 4.547 4.458 4.637 . 0 0 "[ . 1 . 2]" 1
703 1 11 LEU HA 1 15 ILE H 4.850 . 4.850 4.316 4.083 4.461 . 0 0 "[ . 1 . 2]" 1
704 1 71 ARG HA 1 73 GLU H 5.300 . 5.300 4.414 4.298 4.550 . 0 0 "[ . 1 . 2]" 1
705 1 15 ILE H 1 15 ILE HB 3.230 . 3.230 2.625 2.621 2.632 . 0 0 "[ . 1 . 2]" 1
706 1 11 LEU HG 1 15 ILE H 5.500 . 5.500 4.275 4.000 4.380 . 0 0 "[ . 1 . 2]" 1
707 1 15 ILE H 1 15 ILE HG13 3.860 . 3.860 2.002 1.997 2.060 . 0 0 "[ . 1 . 2]" 1
708 1 11 LEU MD2 1 15 ILE H 5.500 . 5.500 5.456 5.268 5.501 0.001 16 0 "[ . 1 . 2]" 1
709 1 13 LYS HB3 1 15 ILE H 5.500 . 5.500 5.122 5.054 5.207 . 0 0 "[ . 1 . 2]" 1
710 1 15 ILE H 1 15 ILE MG 3.990 . 3.990 3.780 3.770 3.782 . 0 0 "[ . 1 . 2]" 1
711 1 15 ILE H 1 15 ILE MD 4.000 . 4.000 3.345 2.813 3.582 . 0 0 "[ . 1 . 2]" 1
712 1 14 ALA MB 1 15 ILE H 3.620 . 3.620 2.604 2.470 2.687 . 0 0 "[ . 1 . 2]" 1
713 1 13 LYS H 1 15 ILE H 4.980 . 4.980 4.117 4.045 4.337 . 0 0 "[ . 1 . 2]" 1
714 1 15 ILE H 1 16 ASP H 3.590 . 3.590 2.464 2.429 2.557 . 0 0 "[ . 1 . 2]" 1
715 1 13 LYS HA 1 16 ASP H 4.120 . 4.120 3.344 3.189 3.573 . 0 0 "[ . 1 . 2]" 1
716 1 16 ASP H 1 16 ASP HB2 3.350 . 3.350 2.242 2.175 2.360 . 0 0 "[ . 1 . 2]" 1
717 1 16 ASP H 1 16 ASP HB3 3.640 . 3.640 2.877 2.714 2.963 . 0 0 "[ . 1 . 2]" 1
718 1 15 ILE HB 1 16 ASP H 3.450 . 3.450 2.727 2.571 2.844 . 0 0 "[ . 1 . 2]" 1
719 1 16 ASP H 1 17 LEU HB2 5.190 . 5.190 4.792 4.653 5.005 . 0 0 "[ . 1 . 2]" 1
720 1 15 ILE MG 1 16 ASP H 3.980 . 3.980 3.719 3.613 3.789 . 0 0 "[ . 1 . 2]" 1
721 1 17 LEU H 1 19 SER H 5.500 . 5.500 4.219 4.070 4.322 . 0 0 "[ . 1 . 2]" 1
722 1 13 LYS HA 1 17 LEU H 4.620 . 4.620 3.911 3.727 4.306 . 0 0 "[ . 1 . 2]" 1
723 1 14 ALA HA 1 17 LEU H 4.530 . 4.530 3.840 3.717 3.919 . 0 0 "[ . 1 . 2]" 1
724 1 16 ASP HB2 1 17 LEU H 3.860 . 3.860 3.545 3.452 3.686 . 0 0 "[ . 1 . 2]" 1
725 1 16 ASP HB3 1 17 LEU H 3.980 . 3.980 2.535 2.394 2.672 . 0 0 "[ . 1 . 2]" 1
726 1 17 LEU H 1 17 LEU HB3 3.710 . 3.710 3.573 3.536 3.603 . 0 0 "[ . 1 . 2]" 1
727 1 17 LEU H 1 17 LEU HG 3.400 . 3.400 2.522 2.157 2.856 . 0 0 "[ . 1 . 2]" 1
728 1 17 LEU H 1 17 LEU HB2 3.760 . 3.760 2.401 2.263 2.556 . 0 0 "[ . 1 . 2]" 1
729 1 17 LEU H 1 17 LEU MD2 4.090 . 4.090 3.890 3.666 4.090 0.000 1 0 "[ . 1 . 2]" 1
730 1 18 ALA H 1 19 SER H 3.410 . 3.410 2.711 2.619 2.767 . 0 0 "[ . 1 . 2]" 1
731 1 19 SER H 1 20 LYS H 3.330 . 3.330 2.663 2.446 2.763 . 0 0 "[ . 1 . 2]" 1
732 1 19 SER H 1 19 SER HB2 3.630 . 3.630 2.270 2.156 2.519 . 0 0 "[ . 1 . 2]" 1
733 1 19 SER H 1 19 SER HB3 3.630 . 3.630 3.346 2.788 3.591 . 0 0 "[ . 1 . 2]" 1
734 1 15 ILE HA 1 19 SER H 4.640 . 4.640 4.009 3.774 4.269 . 0 0 "[ . 1 . 2]" 1
735 1 18 ALA MB 1 19 SER H 3.530 . 3.530 2.568 2.402 2.792 . 0 0 "[ . 1 . 2]" 1
736 1 15 ILE MG 1 19 SER H 4.710 . 4.710 3.921 3.608 4.205 . 0 0 "[ . 1 . 2]" 1
737 1 18 ALA H 1 20 LYS H 4.720 . 4.720 4.203 4.073 4.326 . 0 0 "[ . 1 . 2]" 1
738 1 20 LYS H 1 22 ALA H 4.780 . 4.780 4.281 4.199 4.372 . 0 0 "[ . 1 . 2]" 1
739 1 16 ASP HA 1 20 LYS H 4.540 . 4.540 4.309 4.127 4.529 . 0 0 "[ . 1 . 2]" 1
740 1 19 SER HB3 1 20 LYS H 3.700 . 3.700 3.138 2.512 3.540 . 0 0 "[ . 1 . 2]" 1
741 1 20 LYS H 1 20 LYS HG2 4.610 . 4.610 4.005 2.709 4.608 . 0 0 "[ . 1 . 2]" 1
742 1 18 ALA MB 1 20 LYS H 5.170 . 5.170 4.571 4.433 4.717 . 0 0 "[ . 1 . 2]" 1
743 1 20 LYS H 1 21 ALA MB 4.590 . 4.590 4.260 4.168 4.356 . 0 0 "[ . 1 . 2]" 1
744 1 19 SER H 1 21 ALA H 4.390 . 4.390 4.046 3.936 4.248 . 0 0 "[ . 1 . 2]" 1
745 1 20 LYS H 1 21 ALA H 3.380 . 3.380 2.592 2.482 2.704 . 0 0 "[ . 1 . 2]" 1
746 1 19 SER HA 1 21 ALA H 4.870 . 4.870 4.468 4.245 4.678 . 0 0 "[ . 1 . 2]" 1
747 1 21 ALA H 1 33 ALA HA 5.500 . 5.500 5.187 4.759 5.492 . 0 0 "[ . 1 . 2]" 1
748 1 18 ALA HA 1 21 ALA H 3.980 . 3.980 3.576 3.380 3.881 . 0 0 "[ . 1 . 2]" 1
749 1 21 ALA H 1 36 LEU HB2 5.300 . 5.300 4.156 3.862 4.555 . 0 0 "[ . 1 . 2]" 1
750 1 21 ALA H 1 36 LEU HB3 4.210 . 4.210 3.513 3.239 3.787 . 0 0 "[ . 1 . 2]" 1
751 1 21 ALA H 1 36 LEU MD2 4.690 . 4.690 4.142 3.864 4.494 . 0 0 "[ . 1 . 2]" 1
752 1 21 ALA H 1 36 LEU MD1 4.690 . 4.690 3.424 3.007 3.847 . 0 0 "[ . 1 . 2]" 1
753 1 21 ALA H 1 21 ALA MB 3.130 . 3.130 2.199 2.169 2.225 . 0 0 "[ . 1 . 2]" 1
754 1 21 ALA H 1 22 ALA H 3.650 . 3.650 2.724 2.636 2.777 . 0 0 "[ . 1 . 2]" 1
755 1 43 TYR H 1 43 TYR QD 5.140 . 5.140 2.871 2.763 3.018 . 0 0 "[ . 1 . 2]" 1
756 1 18 ALA HA 1 22 ALA H 4.660 . 4.660 3.953 3.625 4.266 . 0 0 "[ . 1 . 2]" 1
757 1 47 VAL HA 1 49 LYS H 5.220 . 5.220 4.428 4.281 4.562 . 0 0 "[ . 1 . 2]" 1
758 1 43 TYR H 1 43 TYR HB2 3.820 . 3.820 2.472 2.394 2.530 . 0 0 "[ . 1 . 2]" 1
759 1 43 TYR H 1 43 TYR HB3 3.820 . 3.820 3.598 3.589 3.606 . 0 0 "[ . 1 . 2]" 1
760 1 22 ALA H 1 22 ALA MB 2.930 . 2.930 2.167 2.094 2.234 . 0 0 "[ . 1 . 2]" 1
761 1 21 ALA MB 1 22 ALA H 3.270 . 3.270 2.399 2.337 2.450 . 0 0 "[ . 1 . 2]" 1
762 1 42 GLN H 1 45 LEU H 5.290 . 5.290 4.777 4.696 4.822 . 0 0 "[ . 1 . 2]" 1
763 1 43 TYR H 1 45 LEU H 5.500 . 5.500 4.379 4.112 4.492 . 0 0 "[ . 1 . 2]" 1
764 1 42 GLN H 1 44 PHE QD 5.500 . 5.500 5.127 4.985 5.401 . 0 0 "[ . 1 . 2]" 1
765 1 43 TYR H 1 44 PHE QD 5.500 . 5.500 5.038 4.918 5.128 . 0 0 "[ . 1 . 2]" 1
766 1 39 HIS HA 1 42 GLN H 3.840 . 3.840 3.441 3.350 3.514 . 0 0 "[ . 1 . 2]" 1
767 1 41 VAL HB 1 42 GLN H 3.410 . 3.410 2.729 2.486 2.824 . 0 0 "[ . 1 . 2]" 1
768 1 42 GLN H 1 42 GLN HB3 3.830 . 3.830 3.516 3.492 3.573 . 0 0 "[ . 1 . 2]" 1
769 1 42 GLN HB3 1 43 TYR H 4.010 . 4.010 3.214 3.099 3.443 . 0 0 "[ . 1 . 2]" 1
770 1 42 GLN H 1 42 GLN HB2 3.520 . 3.520 2.228 2.184 2.380 . 0 0 "[ . 1 . 2]" 1
771 1 38 GLN HB3 1 42 GLN H 5.500 . 5.500 5.078 4.871 5.240 . 0 0 "[ . 1 . 2]" 1
772 1 42 GLN H 1 45 LEU HB2 5.500 . 5.500 5.386 4.912 5.501 0.001 9 0 "[ . 1 . 2]" 1
773 1 23 GLN H 1 25 ASP H 4.480 . 4.480 4.284 4.092 4.432 . 0 0 "[ . 1 . 2]" 1
774 1 23 GLN H 1 24 GLU H 3.410 . 3.410 2.431 2.352 2.529 . 0 0 "[ . 1 . 2]" 1
775 1 22 ALA H 1 23 GLN H 3.170 . 3.170 2.674 2.625 2.716 . 0 0 "[ . 1 . 2]" 1
776 1 23 GLN H 1 23 GLN HG2 4.080 . 4.080 3.686 3.191 4.027 . 0 0 "[ . 1 . 2]" 1
777 1 23 GLN H 1 23 GLN HG3 4.080 . 4.080 3.028 2.716 3.637 . 0 0 "[ . 1 . 2]" 1
778 1 23 GLN H 1 23 GLN HB3 3.610 . 3.610 3.516 3.485 3.568 . 0 0 "[ . 1 . 2]" 1
779 1 22 ALA MB 1 23 GLN H 3.370 . 3.370 2.710 2.611 2.786 . 0 0 "[ . 1 . 2]" 1
780 1 77 GLU H 1 77 GLU QB 3.100 . 3.100 2.151 2.096 2.230 . 0 0 "[ . 1 . 2]" 1
781 1 76 LYS HB2 1 77 GLU H 4.350 . 4.350 3.954 3.924 3.970 . 0 0 "[ . 1 . 2]" 1
782 1 76 LYS HG3 1 77 GLU H 4.700 . 4.700 2.731 2.284 3.006 . 0 0 "[ . 1 . 2]" 1
783 1 24 GLU H 1 25 ASP H 3.650 . 3.650 2.707 2.566 2.807 . 0 0 "[ . 1 . 2]" 1
784 1 21 ALA HA 1 24 GLU H 4.470 . 4.470 3.339 3.255 3.416 . 0 0 "[ . 1 . 2]" 1
785 1 24 GLU H 1 24 GLU HG2 3.830 . 3.830 2.605 2.448 2.834 . 0 0 "[ . 1 . 2]" 1
786 1 53 GLN H 1 53 GLN HG3 4.340 . 4.340 2.911 2.046 3.597 . 0 0 "[ . 1 . 2]" 1
787 1 24 GLU H 1 24 GLU HG3 3.830 . 3.830 3.558 3.232 3.831 0.001 12 0 "[ . 1 . 2]" 1
788 1 24 GLU H 1 24 GLU HB2 3.600 . 3.600 2.326 2.225 2.399 . 0 0 "[ . 1 . 2]" 1
789 1 22 ALA HA 1 25 ASP H 4.030 . 4.030 3.837 3.660 3.953 . 0 0 "[ . 1 . 2]" 1
790 1 25 ASP H 1 25 ASP HB3 3.570 . 3.570 2.676 2.532 2.889 . 0 0 "[ . 1 . 2]" 1
791 1 25 ASP H 1 25 ASP HB2 3.460 . 3.460 2.403 2.244 2.559 . 0 0 "[ . 1 . 2]" 1
792 1 24 GLU HB3 1 25 ASP H 4.500 . 4.500 3.296 3.180 3.493 . 0 0 "[ . 1 . 2]" 1
793 1 24 GLU HB2 1 25 ASP H 4.090 . 4.090 2.508 2.395 2.772 . 0 0 "[ . 1 . 2]" 1
794 1 25 ASP H 1 33 ALA MB 3.740 . 3.740 2.399 2.204 2.647 . 0 0 "[ . 1 . 2]" 1
795 1 25 ASP H 1 26 LYS H 3.600 . 3.600 2.709 2.605 2.794 . 0 0 "[ . 1 . 2]" 1
796 1 24 GLU H 1 26 LYS H 4.400 . 4.400 4.129 3.809 4.293 . 0 0 "[ . 1 . 2]" 1
797 1 23 GLN H 1 26 LYS H 5.220 . 5.220 4.815 4.672 4.990 . 0 0 "[ . 1 . 2]" 1
798 1 67 GLU H 1 68 TYR H 3.590 . 3.590 2.638 2.590 2.736 . 0 0 "[ . 1 . 2]" 1
799 1 26 LYS H 1 37 TYR QE 5.500 . 5.500 5.465 5.377 5.501 0.001 8 0 "[ . 1 . 2]" 1
800 1 64 LYS HA 1 68 TYR H 4.620 . 4.620 3.854 3.685 4.228 . 0 0 "[ . 1 . 2]" 1
801 1 25 ASP HB3 1 26 LYS H 3.510 . 3.510 2.487 2.360 2.834 . 0 0 "[ . 1 . 2]" 1
802 1 68 TYR H 1 68 TYR HB3 3.900 . 3.900 3.596 3.584 3.607 . 0 0 "[ . 1 . 2]" 1
803 1 68 TYR H 1 68 TYR HB2 3.410 . 3.410 2.513 2.422 2.584 . 0 0 "[ . 1 . 2]" 1
804 1 67 GLU HB3 1 68 TYR H 3.810 . 3.810 2.450 2.388 2.465 . 0 0 "[ . 1 . 2]" 1
805 1 22 ALA MB 1 26 LYS H 4.860 . 4.860 4.752 4.601 4.860 0.000 8 0 "[ . 1 . 2]" 1
806 1 41 VAL MG2 1 68 TYR H 4.400 . 4.400 4.320 3.991 4.402 0.002 11 0 "[ . 1 . 2]" 1
807 1 27 ALA H 1 29 ASN H 4.360 . 4.360 4.129 3.736 4.359 . 0 0 "[ . 1 . 2]" 1
808 1 26 LYS H 1 27 ALA H 3.480 . 3.480 2.610 2.470 2.656 . 0 0 "[ . 1 . 2]" 1
809 1 27 ALA H 1 28 GLY H 3.420 . 3.420 2.538 2.443 2.739 . 0 0 "[ . 1 . 2]" 1
810 1 24 GLU HA 1 27 ALA H 4.040 . 4.040 3.586 3.460 3.680 . 0 0 "[ . 1 . 2]" 1
811 1 27 ALA H 1 28 GLY HA2 5.190 . 5.190 4.890 4.854 4.998 . 0 0 "[ . 1 . 2]" 1
812 1 27 ALA H 1 27 ALA MB 2.970 . 2.970 2.228 2.117 2.276 . 0 0 "[ . 1 . 2]" 1
813 1 26 LYS HA 1 28 GLY H 4.630 . 4.630 4.423 3.614 4.629 . 0 0 "[ . 1 . 2]" 1
814 1 27 ALA MB 1 28 GLY H 3.990 . 3.990 2.641 2.405 3.581 . 0 0 "[ . 1 . 2]" 1
815 1 28 GLY H 1 29 ASN H 3.370 . 3.370 2.186 1.965 3.122 . 0 0 "[ . 1 . 2]" 1
816 1 29 ASN H 1 30 TYR H 4.490 . 4.490 4.380 3.794 4.488 . 0 0 "[ . 1 . 2]" 1
817 1 24 GLU HA 1 29 ASN H 4.440 . 4.440 3.837 3.621 4.065 . 0 0 "[ . 1 . 2]" 1
818 1 25 ASP HA 1 29 ASN H 4.410 . 4.410 3.985 2.646 4.296 . 0 0 "[ . 1 . 2]" 1
819 1 29 ASN H 1 29 ASN HB3 3.770 . 3.770 3.606 3.559 3.770 . 8 0 "[ . 1 . 2]" 1
820 1 29 ASN H 1 29 ASN HB2 3.540 . 3.540 2.502 2.318 2.636 . 0 0 "[ . 1 . 2]" 1
821 1 24 GLU HB3 1 29 ASN H 4.810 . 4.810 4.199 4.013 4.592 . 0 0 "[ . 1 . 2]" 1
822 1 30 TYR H 1 31 GLU H 3.650 . 3.650 2.163 2.038 2.337 . 0 0 "[ . 1 . 2]" 1
823 1 30 TYR H 1 32 GLU H 4.900 . 4.900 4.024 3.845 4.322 . 0 0 "[ . 1 . 2]" 1
824 1 30 TYR H 1 30 TYR QD 3.760 . 3.760 2.684 2.365 2.872 . 0 0 "[ . 1 . 2]" 1
825 1 29 ASN HA 1 30 TYR H 2.990 . 2.990 2.153 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
826 1 29 ASN HB3 1 30 TYR H 3.970 . 3.970 3.619 3.421 3.971 0.001 8 0 "[ . 1 . 2]" 1
827 1 30 TYR H 1 30 TYR HB2 3.520 . 3.520 2.322 2.207 2.379 . 0 0 "[ . 1 . 2]" 1
828 1 29 ASN HB2 1 30 TYR H 4.790 . 4.790 4.347 4.245 4.558 . 0 0 "[ . 1 . 2]" 1
829 1 30 TYR H 1 33 ALA MB 4.480 . 4.480 4.391 4.187 4.476 . 0 0 "[ . 1 . 2]" 1
830 1 30 TYR H 1 79 LEU MD2 5.500 . 5.500 5.212 4.874 5.500 . 0 0 "[ . 1 . 2]" 1
831 1 30 TYR QD 1 31 GLU H 4.900 . 4.900 4.369 4.336 4.485 . 0 0 "[ . 1 . 2]" 1
832 1 29 ASN HA 1 31 GLU H 4.600 . 4.600 3.766 3.480 3.881 . 0 0 "[ . 1 . 2]" 1
833 1 31 GLU H 1 32 GLU HA 5.500 . 5.500 5.383 5.321 5.423 . 0 0 "[ . 1 . 2]" 1
834 1 30 TYR HB3 1 31 GLU H 4.290 . 4.290 3.451 3.208 3.635 . 0 0 "[ . 1 . 2]" 1
835 1 30 TYR HB2 1 31 GLU H 3.990 . 3.990 2.812 2.731 2.939 . 0 0 "[ . 1 . 2]" 1
836 1 31 GLU H 1 31 GLU HG3 4.260 . 4.260 3.069 2.120 4.237 . 0 0 "[ . 1 . 2]" 1
837 1 31 GLU H 1 31 GLU HB2 3.730 . 3.730 2.263 2.099 2.514 . 0 0 "[ . 1 . 2]" 1
838 1 31 GLU H 1 31 GLU HB3 3.730 . 3.730 3.448 3.082 3.587 . 0 0 "[ . 1 . 2]" 1
839 1 31 GLU H 1 79 LEU MD2 4.300 . 4.300 4.191 3.864 4.299 . 0 0 "[ . 1 . 2]" 1
840 1 31 GLU H 1 32 GLU H 3.360 . 3.360 2.820 2.738 2.882 . 0 0 "[ . 1 . 2]" 1
841 1 32 GLU H 1 33 ALA H 3.340 . 3.340 2.641 2.530 2.685 . 0 0 "[ . 1 . 2]" 1
842 1 29 ASN HD21 1 32 GLU H 5.440 . 5.440 5.131 4.913 5.368 . 0 0 "[ . 1 . 2]" 1
843 1 32 GLU H 1 32 GLU HB2 3.190 . 3.190 2.295 2.169 2.395 . 0 0 "[ . 1 . 2]" 1
844 1 32 GLU H 1 32 GLU HB3 3.520 . 3.520 2.784 2.660 2.953 . 0 0 "[ . 1 . 2]" 1
845 1 32 GLU H 1 33 ALA MB 4.660 . 4.660 4.295 4.159 4.355 . 0 0 "[ . 1 . 2]" 1
846 1 31 GLU H 1 33 ALA H 4.460 . 4.460 3.971 3.877 4.094 . 0 0 "[ . 1 . 2]" 1
847 1 33 ALA H 1 34 LEU H 3.350 . 3.350 2.613 2.534 2.683 . 0 0 "[ . 1 . 2]" 1
848 1 29 ASN HD21 1 33 ALA H 5.500 . 5.500 5.364 5.102 5.497 . 0 0 "[ . 1 . 2]" 1
849 1 30 TYR HA 1 33 ALA H 4.010 . 4.010 3.549 3.381 3.700 . 0 0 "[ . 1 . 2]" 1
850 1 29 ASN HB3 1 33 ALA H 4.760 . 4.760 3.531 3.123 3.755 . 0 0 "[ . 1 . 2]" 1
851 1 32 GLU HB3 1 33 ALA H 3.710 . 3.710 2.698 2.503 2.839 . 0 0 "[ . 1 . 2]" 1
852 1 33 ALA H 1 33 ALA MB 3.110 . 3.110 2.182 2.094 2.239 . 0 0 "[ . 1 . 2]" 1
853 1 32 GLU H 1 34 LEU H 4.570 . 4.570 4.138 4.054 4.226 . 0 0 "[ . 1 . 2]" 1
854 1 34 LEU H 1 37 TYR QE 4.670 . 4.670 4.462 4.364 4.630 . 0 0 "[ . 1 . 2]" 1
855 1 30 TYR HA 1 34 LEU H 4.580 . 4.580 3.909 3.684 4.171 . 0 0 "[ . 1 . 2]" 1
856 1 31 GLU HA 1 34 LEU H 4.100 . 4.100 3.615 3.470 3.769 . 0 0 "[ . 1 . 2]" 1
857 1 34 LEU H 1 34 LEU HB3 3.310 . 3.310 2.487 2.465 2.582 . 0 0 "[ . 1 . 2]" 1
858 1 34 LEU H 1 34 LEU HB2 3.370 . 3.370 2.530 2.437 2.553 . 0 0 "[ . 1 . 2]" 1
859 1 33 ALA MB 1 34 LEU H 3.530 . 3.530 2.655 2.606 2.743 . 0 0 "[ . 1 . 2]" 1
860 1 35 GLN H 1 35 GLN HG3 4.030 . 4.030 3.033 2.150 3.957 . 0 0 "[ . 1 . 2]" 1
861 1 35 GLN H 1 35 GLN HB2 3.890 . 3.890 2.566 2.194 3.591 . 0 0 "[ . 1 . 2]" 1
862 1 34 LEU H 1 35 GLN H 3.640 . 3.640 2.784 2.728 2.837 . 0 0 "[ . 1 . 2]" 1
863 1 35 GLN H 1 36 LEU H 3.420 . 3.420 2.633 2.579 2.673 . 0 0 "[ . 1 . 2]" 1
864 1 31 GLU HA 1 35 GLN H 4.770 . 4.770 4.509 4.316 4.605 . 0 0 "[ . 1 . 2]" 1
865 1 35 GLN H 1 35 GLN HG2 4.030 . 4.030 3.009 2.004 3.935 . 0 0 "[ . 1 . 2]" 1
866 1 34 LEU HB3 1 35 GLN H 3.220 . 3.220 2.408 2.305 2.557 . 0 0 "[ . 1 . 2]" 1
867 1 34 LEU HB2 1 35 GLN H 3.950 . 3.950 3.788 3.693 3.879 . 0 0 "[ . 1 . 2]" 1
868 1 34 LEU MD1 1 35 GLN H 4.650 . 4.650 4.377 4.248 4.513 . 0 0 "[ . 1 . 2]" 1
869 1 34 LEU MD2 1 35 GLN H 4.400 . 4.400 4.051 3.831 4.324 . 0 0 "[ . 1 . 2]" 1
870 1 34 LEU H 1 36 LEU H 4.690 . 4.690 3.967 3.893 4.131 . 0 0 "[ . 1 . 2]" 1
871 1 36 LEU H 1 38 GLN HB2 5.500 . 5.500 5.343 5.184 5.493 . 0 0 "[ . 1 . 2]" 1
872 1 35 GLN HB3 1 36 LEU H 4.110 . 4.110 3.693 3.425 4.055 . 0 0 "[ . 1 . 2]" 1
873 1 36 LEU H 1 36 LEU HG 3.380 . 3.380 2.429 2.243 2.737 . 0 0 "[ . 1 . 2]" 1
874 1 33 ALA MB 1 36 LEU H 5.250 . 5.250 4.525 4.501 4.584 . 0 0 "[ . 1 . 2]" 1
875 1 33 ALA HA 1 36 LEU H 4.330 . 4.330 3.417 3.362 3.466 . 0 0 "[ . 1 . 2]" 1
876 1 21 ALA HA 1 36 LEU H 5.500 . 5.500 4.997 4.705 5.134 . 0 0 "[ . 1 . 2]" 1
877 1 35 GLN HB2 1 36 LEU H 4.110 . 4.110 3.082 2.653 3.874 . 0 0 "[ . 1 . 2]" 1
878 1 36 LEU H 1 36 LEU HB2 3.510 . 3.510 2.435 2.319 2.549 . 0 0 "[ . 1 . 2]" 1
879 1 36 LEU H 1 36 LEU HB3 3.850 . 3.850 3.590 3.562 3.609 . 0 0 "[ . 1 . 2]" 1
880 1 36 LEU H 1 36 LEU MD2 4.280 . 4.280 3.763 3.640 4.009 . 0 0 "[ . 1 . 2]" 1
881 1 36 LEU H 1 36 LEU MD1 4.280 . 4.280 3.303 3.166 3.421 . 0 0 "[ . 1 . 2]" 1
882 1 21 ALA MB 1 36 LEU H 4.440 . 4.440 3.921 3.762 4.155 . 0 0 "[ . 1 . 2]" 1
883 1 36 LEU H 1 37 TYR H 3.690 . 3.690 2.513 2.468 2.578 . 0 0 "[ . 1 . 2]" 1
884 1 35 GLN H 1 37 TYR H 4.940 . 4.940 4.180 4.060 4.261 . 0 0 "[ . 1 . 2]" 1
885 1 37 TYR H 1 37 TYR QE 4.780 . 4.780 4.716 4.640 4.781 0.001 8 0 "[ . 1 . 2]" 1
886 1 34 LEU HA 1 37 TYR H 4.090 . 4.090 3.467 3.377 3.556 . 0 0 "[ . 1 . 2]" 1
887 1 33 ALA HA 1 37 TYR H 4.790 . 4.790 3.985 3.769 4.071 . 0 0 "[ . 1 . 2]" 1
888 1 21 ALA HA 1 37 TYR H 4.980 . 4.980 4.821 4.630 4.980 . 0 0 "[ . 1 . 2]" 1
889 1 36 LEU HB2 1 37 TYR H 3.930 . 3.930 2.664 2.611 2.707 . 0 0 "[ . 1 . 2]" 1
890 1 36 LEU HB3 1 37 TYR H 4.270 . 4.270 3.657 3.515 3.778 . 0 0 "[ . 1 . 2]" 1
891 1 21 ALA MB 1 37 TYR H 3.790 . 3.790 2.870 2.714 3.001 . 0 0 "[ . 1 . 2]" 1
892 1 37 TYR H 1 38 GLN H 3.720 . 3.720 2.721 2.668 2.788 . 0 0 "[ . 1 . 2]" 1
893 1 38 GLN H 1 41 VAL H 5.370 . 5.370 4.934 4.832 5.128 . 0 0 "[ . 1 . 2]" 1
894 1 35 GLN H 1 38 GLN H 5.500 . 5.500 5.017 4.948 5.081 . 0 0 "[ . 1 . 2]" 1
895 1 35 GLN HA 1 38 GLN H 3.860 . 3.860 3.703 3.626 3.822 . 0 0 "[ . 1 . 2]" 1
896 1 38 GLN H 1 38 GLN HB3 3.810 . 3.810 3.585 3.558 3.597 . 0 0 "[ . 1 . 2]" 1
897 1 34 LEU HG 1 38 GLN H 5.500 . 5.500 4.790 4.500 5.081 . 0 0 "[ . 1 . 2]" 1
898 1 36 LEU HB2 1 38 GLN H 5.500 . 5.500 5.124 4.947 5.260 . 0 0 "[ . 1 . 2]" 1
899 1 38 GLN H 1 40 ALA MB 5.500 . 5.500 4.915 4.721 5.072 . 0 0 "[ . 1 . 2]" 1
900 1 34 LEU MD1 1 38 GLN H 4.620 . 4.620 4.281 3.949 4.620 . 0 0 "[ . 1 . 2]" 1
901 1 38 GLN H 1 38 GLN HB2 3.230 . 3.230 2.445 2.319 2.597 . 0 0 "[ . 1 . 2]" 1
902 1 64 LYS H 1 65 CYS H 3.390 . 3.390 2.503 2.384 2.550 . 0 0 "[ . 1 . 2]" 1
903 1 62 ARG HA 1 65 CYS H 3.930 . 3.930 3.598 3.510 3.704 . 0 0 "[ . 1 . 2]" 1
904 1 64 LYS HB2 1 65 CYS H 3.700 . 3.700 2.628 2.508 2.715 . 0 0 "[ . 1 . 2]" 1
905 1 64 LYS HB3 1 65 CYS H 3.860 . 3.860 3.581 3.496 3.708 . 0 0 "[ . 1 . 2]" 1
906 1 65 CYS H 1 66 THR MG 4.860 . 4.860 3.868 3.792 3.993 . 0 0 "[ . 1 . 2]" 1
907 1 61 ILE MG 1 65 CYS H 4.240 . 4.240 3.466 3.293 3.644 . 0 0 "[ . 1 . 2]" 1
908 1 37 TYR H 1 39 HIS H 4.630 . 4.630 4.155 4.042 4.291 . 0 0 "[ . 1 . 2]" 1
909 1 39 HIS H 1 40 ALA H 3.440 . 3.440 2.723 2.638 2.755 . 0 0 "[ . 1 . 2]" 1
910 1 38 GLN H 1 39 HIS H 3.540 . 3.540 2.624 2.558 2.706 . 0 0 "[ . 1 . 2]" 1
911 1 36 LEU HA 1 39 HIS H 3.850 . 3.850 3.409 3.332 3.496 . 0 0 "[ . 1 . 2]" 1
912 1 39 HIS H 1 39 HIS HB2 3.780 . 3.780 2.198 2.183 2.259 . 0 0 "[ . 1 . 2]" 1
913 1 38 GLN HB2 1 39 HIS H 3.690 . 3.690 2.643 2.550 2.733 . 0 0 "[ . 1 . 2]" 1
914 1 38 GLN HB3 1 39 HIS H 4.000 . 4.000 3.625 3.427 3.774 . 0 0 "[ . 1 . 2]" 1
915 1 39 HIS H 1 40 ALA MB 4.510 . 4.510 4.346 4.263 4.388 . 0 0 "[ . 1 . 2]" 1
916 1 17 LEU MD1 1 39 HIS H 4.890 . 4.890 4.636 4.058 4.891 0.001 3 0 "[ . 1 . 2]" 1
917 1 39 HIS H 1 41 VAL H 4.850 . 4.850 4.246 4.131 4.446 . 0 0 "[ . 1 . 2]" 1
918 1 38 GLN H 1 40 ALA H 4.820 . 4.820 4.223 4.077 4.363 . 0 0 "[ . 1 . 2]" 1
919 1 40 ALA H 1 42 GLN H 4.990 . 4.990 4.091 4.009 4.355 . 0 0 "[ . 1 . 2]" 1
920 1 40 ALA H 1 43 TYR H 5.500 . 5.500 4.930 4.812 5.014 . 0 0 "[ . 1 . 2]" 1
921 1 38 GLN HA 1 40 ALA H 4.880 . 4.880 4.457 4.268 4.525 . 0 0 "[ . 1 . 2]" 1
922 1 39 HIS HB2 1 40 ALA H 4.310 . 4.310 2.768 2.719 2.848 . 0 0 "[ . 1 . 2]" 1
923 1 17 LEU HB3 1 40 ALA H 4.720 . 4.720 3.581 3.368 3.810 . 0 0 "[ . 1 . 2]" 1
924 1 40 ALA H 1 40 ALA MB 3.160 . 3.160 2.168 2.088 2.233 . 0 0 "[ . 1 . 2]" 1
925 1 40 ALA H 1 41 VAL MG2 4.870 . 4.870 4.049 3.978 4.093 . 0 0 "[ . 1 . 2]" 1
926 1 17 LEU HB2 1 40 ALA H 4.460 . 4.460 3.798 3.397 4.100 . 0 0 "[ . 1 . 2]" 1
927 1 17 LEU MD1 1 40 ALA H 4.210 . 4.210 3.480 2.682 4.084 . 0 0 "[ . 1 . 2]" 1
928 1 40 ALA H 1 41 VAL H 3.700 . 3.700 2.744 2.718 2.802 . 0 0 "[ . 1 . 2]" 1
929 1 41 VAL H 1 42 GLN H 3.620 . 3.620 2.615 2.511 2.692 . 0 0 "[ . 1 . 2]" 1
930 1 41 VAL H 1 44 PHE QD 4.580 . 4.580 3.842 3.626 4.049 . 0 0 "[ . 1 . 2]" 1
931 1 38 GLN HA 1 41 VAL H 4.060 . 4.060 3.535 3.470 3.645 . 0 0 "[ . 1 . 2]" 1
932 1 41 VAL H 1 44 PHE HB2 4.980 . 4.980 4.577 4.434 4.777 . 0 0 "[ . 1 . 2]" 1
933 1 41 VAL H 1 41 VAL HB 3.220 . 3.220 2.636 2.608 2.673 . 0 0 "[ . 1 . 2]" 1
934 1 40 ALA MB 1 41 VAL H 3.480 . 3.480 2.526 2.415 2.659 . 0 0 "[ . 1 . 2]" 1
935 1 41 VAL H 1 41 VAL MG2 3.290 . 3.290 2.002 1.957 2.161 . 0 0 "[ . 1 . 2]" 1
936 1 41 VAL H 1 41 VAL MG1 4.010 . 4.010 3.766 3.758 3.775 . 0 0 "[ . 1 . 2]" 1
937 1 49 LYS H 1 50 TYR H 3.440 . 3.440 2.559 2.460 2.689 . 0 0 "[ . 1 . 2]" 1
938 1 49 LYS H 1 49 LYS HB2 3.310 . 3.310 2.443 2.194 2.636 . 0 0 "[ . 1 . 2]" 1
939 1 49 LYS H 1 49 LYS HB3 3.340 . 3.340 2.653 2.479 2.945 . 0 0 "[ . 1 . 2]" 1
940 1 48 VAL MG1 1 49 LYS H 4.430 . 4.430 3.692 3.610 3.736 . 0 0 "[ . 1 . 2]" 1
941 1 44 PHE H 1 45 LEU H 3.610 . 3.610 2.774 2.557 2.870 . 0 0 "[ . 1 . 2]" 1
942 1 43 TYR H 1 44 PHE H 3.540 . 3.540 2.521 2.459 2.572 . 0 0 "[ . 1 . 2]" 1
943 1 44 PHE H 1 44 PHE QD 3.910 . 3.910 3.379 3.312 3.408 . 0 0 "[ . 1 . 2]" 1
944 1 40 ALA HA 1 44 PHE H 4.800 . 4.800 3.987 3.818 4.182 . 0 0 "[ . 1 . 2]" 1
945 1 42 GLN HA 1 44 PHE H 5.350 . 5.350 4.497 4.297 4.581 . 0 0 "[ . 1 . 2]" 1
946 1 44 PHE H 1 44 PHE HB2 3.630 . 3.630 2.228 2.215 2.271 . 0 0 "[ . 1 . 2]" 1
947 1 43 TYR HB2 1 44 PHE H 4.380 . 4.380 2.732 2.654 2.872 . 0 0 "[ . 1 . 2]" 1
948 1 44 PHE H 1 44 PHE HB3 3.860 . 3.860 3.521 3.513 3.549 . 0 0 "[ . 1 . 2]" 1
949 1 43 TYR HB3 1 44 PHE H 4.380 . 4.380 3.758 3.681 3.854 . 0 0 "[ . 1 . 2]" 1
950 1 41 VAL MG1 1 44 PHE H 5.030 . 5.030 4.691 4.483 4.836 . 0 0 "[ . 1 . 2]" 1
951 1 44 PHE H 1 45 LEU MD1 5.500 . 5.500 5.244 3.820 5.500 0.000 10 0 "[ . 1 . 2]" 1
952 1 44 PHE H 1 45 LEU MD2 5.500 . 5.500 5.500 5.498 5.503 0.003 11 0 "[ . 1 . 2]" 1
953 1 14 ALA MB 1 44 PHE H 3.870 . 3.870 2.756 2.514 3.168 . 0 0 "[ . 1 . 2]" 1
954 1 44 PHE QD 1 45 LEU H 4.830 . 4.830 4.415 4.367 4.567 . 0 0 "[ . 1 . 2]" 1
955 1 42 GLN HA 1 45 LEU H 4.320 . 4.320 3.956 3.759 4.106 . 0 0 "[ . 1 . 2]" 1
956 1 44 PHE HB2 1 45 LEU H 4.110 . 4.110 2.563 2.491 2.810 . 0 0 "[ . 1 . 2]" 1
957 1 44 PHE HB3 1 45 LEU H 4.300 . 4.300 3.082 2.942 3.435 . 0 0 "[ . 1 . 2]" 1
958 1 45 LEU H 1 45 LEU HG 4.030 . 4.030 2.536 2.188 4.031 0.001 12 0 "[ . 1 . 2]" 1
959 1 45 LEU H 1 45 LEU HB2 3.520 . 3.520 2.433 2.194 2.516 . 0 0 "[ . 1 . 2]" 1
960 1 45 LEU H 1 45 LEU HB3 3.890 . 3.890 3.572 3.496 3.593 . 0 0 "[ . 1 . 2]" 1
961 1 41 VAL MG1 1 45 LEU H 4.160 . 4.160 3.602 3.420 3.883 . 0 0 "[ . 1 . 2]" 1
962 1 45 LEU H 1 45 LEU MD1 4.160 . 4.160 3.387 1.974 3.685 . 0 0 "[ . 1 . 2]" 1
963 1 45 LEU H 1 46 HIS H 3.660 . 3.660 2.631 2.452 2.673 . 0 0 "[ . 1 . 2]" 1
964 1 46 HIS H 1 47 VAL H 3.490 . 3.490 2.671 2.571 2.811 . 0 0 "[ . 1 . 2]" 1
965 1 43 TYR HA 1 46 HIS H 3.870 . 3.870 3.491 3.317 3.719 . 0 0 "[ . 1 . 2]" 1
966 1 46 HIS H 1 46 HIS HB2 3.410 . 3.410 2.507 2.442 2.566 . 0 0 "[ . 1 . 2]" 1
967 1 46 HIS H 1 46 HIS HB3 3.410 . 3.410 2.555 2.515 2.620 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU HB2 1 46 HIS H 3.900 . 3.900 2.853 2.774 2.999 . 0 0 "[ . 1 . 2]" 1
969 1 45 LEU MD1 1 46 HIS H 5.500 . 5.500 4.619 4.113 4.736 . 0 0 "[ . 1 . 2]" 1
970 1 45 LEU MD2 1 46 HIS H 5.500 . 5.500 4.722 4.686 4.827 . 0 0 "[ . 1 . 2]" 1
971 1 45 LEU H 1 47 VAL H 5.010 . 5.010 4.304 4.124 4.489 . 0 0 "[ . 1 . 2]" 1
972 1 47 VAL H 1 48 VAL H 3.650 . 3.650 2.588 2.452 2.808 . 0 0 "[ . 1 . 2]" 1
973 1 44 PHE HA 1 47 VAL H 4.000 . 4.000 3.645 3.438 3.949 . 0 0 "[ . 1 . 2]" 1
974 1 46 HIS HB3 1 47 VAL H 4.280 . 4.280 2.654 2.277 2.837 . 0 0 "[ . 1 . 2]" 1
975 1 47 VAL H 1 47 VAL HB 3.400 . 3.400 2.616 2.528 2.680 . 0 0 "[ . 1 . 2]" 1
976 1 47 VAL H 1 47 VAL MG2 4.090 . 4.090 2.199 1.962 3.763 . 0 0 "[ . 1 . 2]" 1
977 1 47 VAL H 1 61 ILE MG 5.500 . 5.500 4.996 4.765 5.456 . 0 0 "[ . 1 . 2]" 1
978 1 47 VAL H 1 61 ILE MD 5.500 . 5.500 4.814 4.489 5.456 . 0 0 "[ . 1 . 2]" 1
979 1 48 VAL H 1 49 LYS H 3.680 . 3.680 2.600 2.451 2.725 . 0 0 "[ . 1 . 2]" 1
980 1 45 LEU HA 1 48 VAL H 3.840 . 3.840 3.398 3.179 3.728 . 0 0 "[ . 1 . 2]" 1
981 1 47 VAL HB 1 48 VAL H 4.050 . 4.050 2.565 2.283 3.866 . 0 0 "[ . 1 . 2]" 1
982 1 48 VAL H 1 48 VAL HB 3.310 . 3.310 2.644 2.608 2.679 . 0 0 "[ . 1 . 2]" 1
983 1 47 VAL MG2 1 48 VAL H 4.100 . 4.100 3.673 3.528 3.763 . 0 0 "[ . 1 . 2]" 1
984 1 48 VAL H 1 50 TYR H 4.370 . 4.370 4.117 3.870 4.370 0.000 9 0 "[ . 1 . 2]" 1
985 1 46 HIS HA 1 50 TYR H 4.780 . 4.780 3.905 3.650 4.134 . 0 0 "[ . 1 . 2]" 1
986 1 50 TYR H 1 50 TYR HB3 4.030 . 4.030 3.546 3.498 3.633 . 0 0 "[ . 1 . 2]" 1
987 1 50 TYR H 1 50 TYR HB2 3.640 . 3.640 2.267 2.193 2.400 . 0 0 "[ . 1 . 2]" 1
988 1 49 LYS HB2 1 50 TYR H 4.080 . 4.080 3.773 3.534 4.034 . 0 0 "[ . 1 . 2]" 1
989 1 49 LYS HB3 1 50 TYR H 3.780 . 3.780 2.651 2.297 2.919 . 0 0 "[ . 1 . 2]" 1
990 1 47 VAL HA 1 50 TYR H 4.740 . 4.740 3.609 3.447 3.884 . 0 0 "[ . 1 . 2]" 1
991 1 51 GLU H 1 52 ALA H 3.600 . 3.600 3.521 3.327 3.601 0.001 7 0 "[ . 1 . 2]" 1
992 1 50 TYR H 1 51 GLU H 3.330 . 3.330 2.834 2.439 3.094 . 0 0 "[ . 1 . 2]" 1
993 1 49 LYS H 1 51 GLU H 4.720 . 4.720 4.684 4.566 4.721 0.001 16 0 "[ . 1 . 2]" 1
994 1 47 VAL HA 1 51 GLU H 3.940 . 3.940 3.171 3.000 3.467 . 0 0 "[ . 1 . 2]" 1
995 1 48 VAL HA 1 51 GLU H 5.170 . 5.170 4.436 3.916 4.703 . 0 0 "[ . 1 . 2]" 1
996 1 50 TYR HB3 1 51 GLU H 4.780 . 4.780 2.710 2.566 3.049 . 0 0 "[ . 1 . 2]" 1
997 1 50 TYR HB2 1 51 GLU H 3.740 . 3.740 2.231 2.160 2.323 . 0 0 "[ . 1 . 2]" 1
998 1 51 GLU H 1 51 GLU QG 4.220 . 4.220 2.546 2.411 2.689 . 0 0 "[ . 1 . 2]" 1
999 1 51 GLU H 1 51 GLU QB 3.570 . 3.570 3.350 3.306 3.393 . 0 0 "[ . 1 . 2]" 1
1000 1 51 GLU H 1 52 ALA MB 4.690 . 4.690 4.603 4.428 4.691 0.001 10 0 "[ . 1 . 2]" 1
1001 1 50 TYR H 1 52 ALA H 5.350 . 5.350 5.225 4.907 5.350 0.000 9 0 "[ . 1 . 2]" 1
1002 1 47 VAL HA 1 52 ALA H 5.500 . 5.500 5.463 5.248 5.501 0.001 6 0 "[ . 1 . 2]" 1
1003 1 48 VAL HA 1 52 ALA H 4.370 . 4.370 3.196 2.745 3.450 . 0 0 "[ . 1 . 2]" 1
1004 1 51 GLU QB 1 52 ALA H 3.840 . 3.840 3.669 3.553 3.735 . 0 0 "[ . 1 . 2]" 1
1005 1 52 ALA H 1 52 ALA MB 3.080 . 3.080 2.127 2.096 2.284 . 0 0 "[ . 1 . 2]" 1
1006 1 72 ALA H 1 73 GLU H 3.660 . 3.660 2.589 2.398 2.722 . 0 0 "[ . 1 . 2]" 1
1007 1 71 ARG H 1 72 ALA H 3.590 . 3.590 2.634 2.486 2.732 . 0 0 "[ . 1 . 2]" 1
1008 1 24 GLU H 1 37 TYR QE 5.500 . 5.500 5.392 5.267 5.500 . 0 0 "[ . 1 . 2]" 1
1009 1 37 TYR QE 1 72 ALA H 5.500 . 5.500 5.281 4.989 5.500 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ALA HA 1 53 GLN H 3.010 . 3.010 2.661 2.570 2.715 . 0 0 "[ . 1 . 2]" 1
1011 1 68 TYR HA 1 72 ALA H 4.520 . 4.520 3.886 3.633 4.373 . 0 0 "[ . 1 . 2]" 1
1012 1 69 LEU HA 1 72 ALA H 3.910 . 3.910 3.617 3.397 3.784 . 0 0 "[ . 1 . 2]" 1
1013 1 53 GLN H 1 58 LYS QE 5.500 . 5.500 4.354 3.847 4.721 . 0 0 "[ . 1 . 2]" 1
1014 1 24 GLU H 1 24 GLU HB3 4.170 . 4.170 3.559 3.519 3.582 . 0 0 "[ . 1 . 2]" 1
1015 1 23 GLN HB2 1 24 GLU H 3.960 . 3.960 2.928 2.829 2.984 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ALA H 1 72 ALA MB 3.040 . 3.040 2.166 2.096 2.266 . 0 0 "[ . 1 . 2]" 1
1017 1 53 GLN H 1 57 ALA MB 3.560 . 3.560 2.684 2.535 2.858 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ALA MB 1 53 GLN H 3.600 . 3.600 2.046 1.969 2.228 . 0 0 "[ . 1 . 2]" 1
1019 1 34 LEU MD1 1 72 ALA H 5.040 . 5.040 4.386 4.206 4.562 . 0 0 "[ . 1 . 2]" 1
1020 1 55 ASP H 1 55 ASP QB 3.560 . 3.560 2.262 2.107 2.635 . 0 0 "[ . 1 . 2]" 1
1021 1 55 ASP QB 1 56 LYS H 3.800 . 3.800 2.411 2.119 3.171 . 0 0 "[ . 1 . 2]" 1
1022 1 55 ASP H 1 58 LYS QD 5.500 . 5.500 4.202 3.994 4.431 . 0 0 "[ . 1 . 2]" 1
1023 1 56 LYS H 1 58 LYS QD 5.500 . 5.500 5.217 5.071 5.435 . 0 0 "[ . 1 . 2]" 1
1024 1 56 LYS H 1 57 ALA H 3.850 . 3.850 2.641 2.546 2.673 . 0 0 "[ . 1 . 2]" 1
1025 1 55 ASP HA 1 57 ALA H 4.850 . 4.850 4.258 4.177 4.405 . 0 0 "[ . 1 . 2]" 1
1026 1 57 ALA H 1 58 LYS QD 5.020 . 5.020 4.973 4.855 5.021 0.001 11 0 "[ . 1 . 2]" 1
1027 1 57 ALA H 1 57 ALA MB 3.010 . 3.010 2.116 2.091 2.180 . 0 0 "[ . 1 . 2]" 1
1028 1 54 GLY H 1 58 LYS H 4.820 . 4.820 3.492 3.239 3.902 . 0 0 "[ . 1 . 2]" 1
1029 1 56 LYS H 1 58 LYS H 5.240 . 5.240 4.343 4.249 4.440 . 0 0 "[ . 1 . 2]" 1
1030 1 58 LYS H 1 59 GLN H 3.470 . 3.470 2.751 2.708 2.825 . 0 0 "[ . 1 . 2]" 1
1031 1 57 ALA H 1 58 LYS H 3.500 . 3.500 2.642 2.549 2.716 . 0 0 "[ . 1 . 2]" 1
1032 1 55 ASP HA 1 58 LYS H 4.150 . 4.150 3.610 3.504 3.734 . 0 0 "[ . 1 . 2]" 1
1033 1 58 LYS H 1 58 LYS HB2 3.470 . 3.470 2.483 2.423 2.586 . 0 0 "[ . 1 . 2]" 1
1034 1 58 LYS H 1 58 LYS QD 3.560 . 3.560 3.317 3.210 3.429 . 0 0 "[ . 1 . 2]" 1
1035 1 57 ALA MB 1 58 LYS H 3.430 . 3.430 2.544 2.486 2.695 . 0 0 "[ . 1 . 2]" 1
1036 1 58 LYS H 1 58 LYS QG 4.050 . 4.050 2.204 1.985 2.309 . 0 0 "[ . 1 . 2]" 1
1037 1 58 LYS H 1 61 ILE MD 5.110 . 5.110 4.499 4.038 4.895 . 0 0 "[ . 1 . 2]" 1
1038 1 46 HIS HA 1 48 VAL H 5.240 . 5.240 4.692 4.333 4.939 . 0 0 "[ . 1 . 2]" 1
1039 1 59 GLN H 1 59 GLN HG2 4.130 . 4.130 2.992 2.001 3.973 . 0 0 "[ . 1 . 2]" 1
1040 1 59 GLN H 1 59 GLN HG3 4.130 . 4.130 3.092 1.998 4.130 0.000 12 0 "[ . 1 . 2]" 1
1041 1 59 GLN H 1 59 GLN HB2 3.720 . 3.720 2.757 2.088 3.590 . 0 0 "[ . 1 . 2]" 1
1042 1 58 LYS HB3 1 59 GLN H 3.980 . 3.980 3.523 3.323 3.728 . 0 0 "[ . 1 . 2]" 1
1043 1 57 ALA MB 1 59 GLN H 4.970 . 4.970 4.600 4.494 4.726 . 0 0 "[ . 1 . 2]" 1
1044 1 59 GLN H 1 60 SER H 3.430 . 3.430 2.667 2.647 2.687 . 0 0 "[ . 1 . 2]" 1
1045 1 66 THR H 1 66 THR HB 3.130 . 3.130 2.697 2.629 2.764 . 0 0 "[ . 1 . 2]" 1
1046 1 60 SER H 1 60 SER HB2 3.480 . 3.480 2.281 2.167 2.586 . 0 0 "[ . 1 . 2]" 1
1047 1 60 SER H 1 60 SER HB3 3.480 . 3.480 2.952 2.504 3.481 0.001 3 0 "[ . 1 . 2]" 1
1048 1 64 LYS HA 1 66 THR H 4.870 . 4.870 4.077 3.998 4.239 . 0 0 "[ . 1 . 2]" 1
1049 1 65 CYS HB2 1 66 THR H 4.260 . 4.260 3.195 2.953 4.029 . 0 0 "[ . 1 . 2]" 1
1050 1 65 CYS HB3 1 66 THR H 4.260 . 4.260 3.449 2.840 3.946 . 0 0 "[ . 1 . 2]" 1
1051 1 59 GLN HB2 1 60 SER H 4.460 . 4.460 3.334 2.862 3.825 . 0 0 "[ . 1 . 2]" 1
1052 1 59 GLN HB3 1 60 SER H 4.460 . 4.460 3.669 2.896 4.126 . 0 0 "[ . 1 . 2]" 1
1053 1 60 SER H 1 62 ARG QB 5.500 . 5.500 4.695 4.555 5.005 . 0 0 "[ . 1 . 2]" 1
1054 1 57 ALA MB 1 60 SER H 4.990 . 4.990 4.541 4.520 4.583 . 0 0 "[ . 1 . 2]" 1
1055 1 63 ALA MB 1 66 THR H 5.430 . 5.430 4.719 4.676 4.790 . 0 0 "[ . 1 . 2]" 1
1056 1 58 LYS QG 1 60 SER H 5.500 . 5.500 5.500 5.491 5.502 0.002 10 0 "[ . 1 . 2]" 1
1057 1 64 LYS HB3 1 66 THR H 5.500 . 5.500 5.333 5.265 5.501 0.001 20 0 "[ . 1 . 2]" 1
1058 1 64 LYS QG 1 66 THR H 5.500 . 5.500 5.502 5.501 5.506 0.006 8 0 "[ . 1 . 2]" 1
1059 1 66 THR H 1 66 THR MG 3.870 . 3.870 2.058 1.961 2.204 . 0 0 "[ . 1 . 2]" 1
1060 1 60 SER H 1 61 ILE MD 5.440 . 5.440 5.067 4.778 5.293 . 0 0 "[ . 1 . 2]" 1
1061 1 60 SER H 1 61 ILE H 3.510 . 3.510 2.631 2.552 2.690 . 0 0 "[ . 1 . 2]" 1
1062 1 60 SER HB2 1 61 ILE H 4.580 . 4.580 3.466 2.781 3.904 . 0 0 "[ . 1 . 2]" 1
1063 1 60 SER HB3 1 61 ILE H 4.580 . 4.580 2.737 2.439 3.387 . 0 0 "[ . 1 . 2]" 1
1064 1 58 LYS HA 1 61 ILE H 4.230 . 4.230 3.468 3.352 3.594 . 0 0 "[ . 1 . 2]" 1
1065 1 61 ILE H 1 61 ILE HG13 3.360 . 3.360 1.990 1.980 1.996 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ILE H 1 61 ILE HB 3.260 . 3.260 2.621 2.608 2.631 . 0 0 "[ . 1 . 2]" 1
1067 1 57 ALA MB 1 61 ILE H 4.940 . 4.940 4.773 4.575 4.940 0.000 11 0 "[ . 1 . 2]" 1
1068 1 58 LYS QG 1 61 ILE H 5.500 . 5.500 5.448 5.369 5.502 0.002 17 0 "[ . 1 . 2]" 1
1069 1 61 ILE H 1 64 LYS QG 5.500 . 5.500 5.071 4.738 5.416 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ILE H 1 61 ILE HG12 3.870 . 3.870 3.292 3.176 3.470 . 0 0 "[ . 1 . 2]" 1
1071 1 61 ILE H 1 61 ILE MG 4.220 . 4.220 3.773 3.770 3.777 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ILE H 1 61 ILE MD 4.370 . 4.370 3.465 3.211 3.581 . 0 0 "[ . 1 . 2]" 1
1073 1 62 ARG H 1 63 ALA MB 4.650 . 4.650 4.379 4.334 4.422 . 0 0 "[ . 1 . 2]" 1
1074 1 60 SER H 1 62 ARG H 4.550 . 4.550 3.944 3.859 4.052 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ILE H 1 62 ARG H 3.380 . 3.380 2.522 2.490 2.553 . 0 0 "[ . 1 . 2]" 1
1076 1 62 ARG H 1 64 LYS H 4.980 . 4.980 3.993 3.906 4.072 . 0 0 "[ . 1 . 2]" 1
1077 1 59 GLN HA 1 62 ARG H 3.930 . 3.930 3.410 3.305 3.549 . 0 0 "[ . 1 . 2]" 1
1078 1 62 ARG H 1 62 ARG HD2 5.500 . 5.500 4.430 3.413 5.159 . 0 0 "[ . 1 . 2]" 1
1079 1 62 ARG H 1 62 ARG HD3 5.500 . 5.500 4.677 3.796 5.241 . 0 0 "[ . 1 . 2]" 1
1080 1 62 ARG H 1 62 ARG QB 3.020 . 3.020 2.238 2.172 2.411 . 0 0 "[ . 1 . 2]" 1
1081 1 62 ARG H 1 62 ARG HG3 4.220 . 4.220 2.778 2.508 3.221 . 0 0 "[ . 1 . 2]" 1
1082 1 61 ILE MG 1 62 ARG H 4.030 . 4.030 3.727 3.700 3.758 . 0 0 "[ . 1 . 2]" 1
1083 1 62 ARG H 1 63 ALA H 3.500 . 3.500 2.744 2.680 2.791 . 0 0 "[ . 1 . 2]" 1
1084 1 60 SER HA 1 63 ALA H 3.930 . 3.930 3.798 3.664 3.898 . 0 0 "[ . 1 . 2]" 1
1085 1 59 GLN HA 1 63 ALA H 4.700 . 4.700 4.240 4.030 4.507 . 0 0 "[ . 1 . 2]" 1
1086 1 61 ILE HA 1 63 ALA H 4.850 . 4.850 4.413 4.222 4.591 . 0 0 "[ . 1 . 2]" 1
1087 1 62 ARG QB 1 63 ALA H 3.420 . 3.420 2.557 2.368 2.669 . 0 0 "[ . 1 . 2]" 1
1088 1 63 ALA H 1 63 ALA MB 2.950 . 2.950 2.149 2.104 2.243 . 0 0 "[ . 1 . 2]" 1
1089 1 63 ALA H 1 64 LYS QG 5.100 . 5.100 4.353 3.990 4.446 . 0 0 "[ . 1 . 2]" 1
1090 1 63 ALA H 1 64 LYS H 3.450 . 3.450 2.556 2.469 2.621 . 0 0 "[ . 1 . 2]" 1
1091 1 60 SER HA 1 64 LYS H 4.820 . 4.820 4.545 4.456 4.652 . 0 0 "[ . 1 . 2]" 1
1092 1 64 LYS H 1 65 CYS HA 5.350 . 5.350 5.134 5.038 5.173 . 0 0 "[ . 1 . 2]" 1
1093 1 62 ARG HA 1 64 LYS H 4.850 . 4.850 4.335 4.232 4.414 . 0 0 "[ . 1 . 2]" 1
1094 1 61 ILE HA 1 64 LYS H 3.960 . 3.960 3.301 3.181 3.379 . 0 0 "[ . 1 . 2]" 1
1095 1 62 ARG QB 1 64 LYS H 4.760 . 4.760 4.532 4.442 4.629 . 0 0 "[ . 1 . 2]" 1
1096 1 64 LYS H 1 64 LYS HB2 3.360 . 3.360 2.398 2.344 2.504 . 0 0 "[ . 1 . 2]" 1
1097 1 63 ALA MB 1 64 LYS H 3.450 . 3.450 2.759 2.660 2.871 . 0 0 "[ . 1 . 2]" 1
1098 1 64 LYS H 1 64 LYS QG 3.280 . 3.280 2.512 2.234 2.619 . 0 0 "[ . 1 . 2]" 1
1099 1 61 ILE MG 1 64 LYS H 4.920 . 4.920 4.416 4.283 4.480 . 0 0 "[ . 1 . 2]" 1
1100 1 66 THR H 1 67 GLU H 3.360 . 3.360 2.355 2.305 2.405 . 0 0 "[ . 1 . 2]" 1
1101 1 65 CYS H 1 67 GLU H 4.650 . 4.650 4.041 3.966 4.069 . 0 0 "[ . 1 . 2]" 1
1102 1 66 THR HB 1 67 GLU H 4.110 . 4.110 4.020 3.994 4.047 . 0 0 "[ . 1 . 2]" 1
1103 1 64 LYS HA 1 67 GLU H 3.920 . 3.920 3.204 3.138 3.306 . 0 0 "[ . 1 . 2]" 1
1104 1 67 GLU H 1 67 GLU HG2 4.660 . 4.660 4.507 4.430 4.614 . 0 0 "[ . 1 . 2]" 1
1105 1 67 GLU H 1 67 GLU HB2 3.440 . 3.440 2.577 2.528 2.602 . 0 0 "[ . 1 . 2]" 1
1106 1 67 GLU H 1 67 GLU HB3 3.440 . 3.440 2.493 2.484 2.520 . 0 0 "[ . 1 . 2]" 1
1107 1 66 THR MG 1 67 GLU H 4.090 . 4.090 2.186 1.974 2.288 . 0 0 "[ . 1 . 2]" 1
1108 1 66 THR HA 1 69 LEU H 4.250 . 4.250 3.593 3.339 3.693 . 0 0 "[ . 1 . 2]" 1
1109 1 68 TYR HB3 1 69 LEU H 4.450 . 4.450 3.711 3.557 3.904 . 0 0 "[ . 1 . 2]" 1
1110 1 69 LEU H 1 69 LEU HB2 3.650 . 3.650 2.231 2.201 2.310 . 0 0 "[ . 1 . 2]" 1
1111 1 69 LEU H 1 69 LEU HB3 3.650 . 3.650 3.476 2.726 3.527 . 0 0 "[ . 1 . 2]" 1
1112 1 41 VAL MG1 1 69 LEU H 4.950 . 4.950 4.434 4.115 4.867 . 0 0 "[ . 1 . 2]" 1
1113 1 68 TYR H 1 69 LEU H 3.640 . 3.640 2.590 2.516 2.658 . 0 0 "[ . 1 . 2]" 1
1114 1 65 CYS HA 1 69 LEU H 4.500 . 4.500 3.986 3.840 4.312 . 0 0 "[ . 1 . 2]" 1
1115 1 69 LEU H 1 70 ASP H 3.460 . 3.460 2.699 2.573 2.786 . 0 0 "[ . 1 . 2]" 1
1116 1 70 ASP H 1 72 ALA H 4.310 . 4.310 4.163 3.873 4.309 . 0 0 "[ . 1 . 2]" 1
1117 1 70 ASP H 1 71 ARG H 3.560 . 3.560 2.667 2.507 2.763 . 0 0 "[ . 1 . 2]" 1
1118 1 67 GLU HA 1 70 ASP H 4.180 . 4.180 3.745 3.563 3.904 . 0 0 "[ . 1 . 2]" 1
1119 1 66 THR HA 1 70 ASP H 4.460 . 4.460 3.973 3.654 4.197 . 0 0 "[ . 1 . 2]" 1
1120 1 70 ASP H 1 70 ASP HB2 3.510 . 3.510 2.304 2.192 2.484 . 0 0 "[ . 1 . 2]" 1
1121 1 70 ASP H 1 70 ASP HB3 3.510 . 3.510 2.798 2.601 2.929 . 0 0 "[ . 1 . 2]" 1
1122 1 69 LEU HB2 1 70 ASP H 3.960 . 3.960 2.841 2.567 3.715 . 0 0 "[ . 1 . 2]" 1
1123 1 69 LEU HB3 1 70 ASP H 3.960 . 3.960 3.324 2.579 3.531 . 0 0 "[ . 1 . 2]" 1
1124 1 66 THR MG 1 70 ASP H 5.370 . 5.370 5.155 5.006 5.278 . 0 0 "[ . 1 . 2]" 1
1125 1 69 LEU MD2 1 70 ASP H 5.500 . 5.500 4.631 4.026 4.736 . 0 0 "[ . 1 . 2]" 1
1126 1 69 LEU H 1 71 ARG H 4.940 . 4.940 4.260 4.067 4.510 . 0 0 "[ . 1 . 2]" 1
1127 1 70 ASP HB2 1 71 ARG H 3.960 . 3.960 3.633 3.493 3.796 . 0 0 "[ . 1 . 2]" 1
1128 1 70 ASP HB3 1 71 ARG H 3.960 . 3.960 2.558 2.295 2.716 . 0 0 "[ . 1 . 2]" 1
1129 1 72 ALA MB 1 73 GLU H 3.520 . 3.520 2.679 2.549 2.802 . 0 0 "[ . 1 . 2]" 1
1130 1 70 ASP HA 1 73 GLU H 4.110 . 4.110 3.654 3.450 3.833 . 0 0 "[ . 1 . 2]" 1
1131 1 74 LYS H 1 75 LEU H 3.470 . 3.470 2.530 2.471 2.618 . 0 0 "[ . 1 . 2]" 1
1132 1 73 GLU H 1 74 LYS H 3.480 . 3.480 2.717 2.642 2.769 . 0 0 "[ . 1 . 2]" 1
1133 1 70 ASP HA 1 74 LYS H 4.790 . 4.790 4.247 4.048 4.438 . 0 0 "[ . 1 . 2]" 1
1134 1 73 GLU HG2 1 74 LYS H 5.500 . 5.500 4.819 4.612 5.167 . 0 0 "[ . 1 . 2]" 1
1135 1 73 GLU HG3 1 74 LYS H 5.500 . 5.500 4.842 4.562 5.033 . 0 0 "[ . 1 . 2]" 1
1136 1 73 GLU HB3 1 74 LYS H 4.020 . 4.020 3.308 3.151 3.588 . 0 0 "[ . 1 . 2]" 1
1137 1 74 LYS H 1 74 LYS HB2 3.610 . 3.610 2.269 2.178 2.473 . 0 0 "[ . 1 . 2]" 1
1138 1 74 LYS H 1 74 LYS HB3 3.610 . 3.610 3.213 2.617 3.578 . 0 0 "[ . 1 . 2]" 1
1139 1 72 ALA MB 1 74 LYS H 5.120 . 5.120 4.614 4.432 4.743 . 0 0 "[ . 1 . 2]" 1
1140 1 73 GLU H 1 75 LEU H 4.560 . 4.560 4.070 3.894 4.252 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ALA HA 1 75 LEU H 3.860 . 3.860 3.356 3.283 3.415 . 0 0 "[ . 1 . 2]" 1
1142 1 75 LEU H 1 75 LEU HB2 3.890 . 3.890 2.099 2.053 2.211 . 0 0 "[ . 1 . 2]" 1
1143 1 74 LYS HB2 1 75 LEU H 4.510 . 4.510 3.169 2.644 3.888 . 0 0 "[ . 1 . 2]" 1
1144 1 75 LEU H 1 75 LEU HG 4.080 . 4.080 4.021 3.751 4.083 0.003 10 0 "[ . 1 . 2]" 1
1145 1 72 ALA MB 1 75 LEU H 4.620 . 4.620 4.553 4.498 4.606 . 0 0 "[ . 1 . 2]" 1
1146 1 75 LEU H 1 75 LEU HB3 3.890 . 3.890 3.378 3.289 3.507 . 0 0 "[ . 1 . 2]" 1
1147 1 34 LEU MD1 1 75 LEU H 4.540 . 4.540 3.727 3.459 4.069 . 0 0 "[ . 1 . 2]" 1
1148 1 75 LEU H 1 75 LEU MD1 4.820 . 4.820 2.600 2.141 2.930 . 0 0 "[ . 1 . 2]" 1
1149 1 75 LEU H 1 75 LEU MD2 4.820 . 4.820 4.174 3.783 4.351 . 0 0 "[ . 1 . 2]" 1
1150 1 76 LYS H 1 77 GLU H 3.600 . 3.600 2.578 2.536 2.629 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ALA HA 1 76 LYS H 4.370 . 4.370 3.868 3.700 4.242 . 0 0 "[ . 1 . 2]" 1
1152 1 76 LYS HA 1 79 LEU H 4.040 . 4.040 3.360 3.258 3.471 . 0 0 "[ . 1 . 2]" 1
1153 1 75 LEU HB2 1 76 LYS H 4.250 . 4.250 2.818 2.588 2.961 . 0 0 "[ . 1 . 2]" 1
1154 1 76 LYS H 1 76 LYS HG2 3.560 . 3.560 2.099 2.001 2.322 . 0 0 "[ . 1 . 2]" 1
1155 1 76 LYS H 1 76 LYS HG3 4.220 . 4.220 3.368 3.016 3.556 . 0 0 "[ . 1 . 2]" 1
1156 1 75 LEU HB3 1 76 LYS H 4.250 . 4.250 2.812 2.674 3.048 . 0 0 "[ . 1 . 2]" 1
1157 1 34 LEU MD2 1 76 LYS H 3.860 . 3.860 2.989 2.583 3.389 . 0 0 "[ . 1 . 2]" 1
1158 1 78 TYR QB 1 79 LEU H 3.660 . 3.660 3.463 3.437 3.503 . 0 0 "[ . 1 . 2]" 1
1159 1 79 LEU H 1 79 LEU HG 3.200 . 3.200 2.614 2.495 2.742 . 0 0 "[ . 1 . 2]" 1
1160 1 79 LEU H 1 79 LEU HB2 3.790 . 3.790 2.301 2.248 2.349 . 0 0 "[ . 1 . 2]" 1
1161 1 78 TYR H 1 79 LEU H 3.520 . 3.520 2.490 2.360 2.588 . 0 0 "[ . 1 . 2]" 1
1162 1 77 GLU H 1 78 TYR H 3.520 . 3.520 2.903 2.818 2.957 . 0 0 "[ . 1 . 2]" 1
1163 1 78 TYR H 1 78 TYR QD 4.190 . 4.190 2.651 2.617 2.680 . 0 0 "[ . 1 . 2]" 1
1164 1 75 LEU HA 1 78 TYR H 4.340 . 4.340 3.959 3.811 4.066 . 0 0 "[ . 1 . 2]" 1
1165 1 78 TYR H 1 78 TYR QB 3.190 . 3.190 2.371 2.336 2.423 . 0 0 "[ . 1 . 2]" 1
1166 1 77 GLU QB 1 78 TYR H 3.500 . 3.500 2.280 2.191 2.499 . 0 0 "[ . 1 . 2]" 1
1167 1 79 LEU H 1 80 LYS H 3.530 . 3.530 2.656 2.562 2.729 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LYS HA 1 80 LYS H 4.600 . 4.600 3.646 3.170 3.978 . 0 0 "[ . 1 . 2]" 1
1169 1 77 GLU QB 1 80 LYS H 5.200 . 5.200 5.036 4.913 5.191 . 0 0 "[ . 1 . 2]" 1
1170 1 80 LYS H 1 80 LYS HB2 3.460 . 3.460 2.260 2.161 2.527 . 0 0 "[ . 1 . 2]" 1
1171 1 80 LYS H 1 80 LYS HB3 3.460 . 3.460 3.187 2.634 3.467 0.007 17 0 "[ . 1 . 2]" 1
1172 1 79 LEU HB2 1 80 LYS H 3.870 . 3.870 2.807 2.671 2.947 . 0 0 "[ . 1 . 2]" 1
1173 1 78 TYR HA 1 81 ASN H 4.630 . 4.630 3.224 3.078 3.398 . 0 0 "[ . 1 . 2]" 1
1174 1 79 LEU HA 1 81 ASN H 5.460 . 5.460 4.464 4.360 4.644 . 0 0 "[ . 1 . 2]" 1
1175 1 81 ASN H 1 81 ASN HB3 3.870 . 3.870 3.191 2.565 3.556 . 0 0 "[ . 1 . 2]" 1
1176 1 67 GLU HB2 1 68 TYR H 3.810 . 3.810 3.802 3.768 3.811 0.001 8 0 "[ . 1 . 2]" 1
1177 1 61 ILE HA 1 65 CYS H 4.670 . 4.670 3.704 3.615 3.885 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ARG QB 1 65 CYS H 5.110 . 5.110 4.971 4.851 5.095 . 0 0 "[ . 1 . 2]" 1
1179 1 54 GLY H 1 58 LYS QE 4.620 . 4.620 3.604 2.758 4.265 . 0 0 "[ . 1 . 2]" 1
1180 1 53 GLN HB2 1 54 GLY H 4.520 . 4.520 2.542 2.000 3.816 . 0 0 "[ . 1 . 2]" 1
1181 1 53 GLN HB3 1 54 GLY H 4.520 . 4.520 3.687 3.220 4.084 . 0 0 "[ . 1 . 2]" 1
1182 1 54 GLY H 1 57 ALA MB 4.260 . 4.260 1.977 1.837 2.544 . 0 0 "[ . 1 . 2]" 1
1183 1 10 ASN HB2 1 11 LEU H 4.550 . 4.550 2.950 2.690 3.757 . 0 0 "[ . 1 . 2]" 1
1184 1 10 ASN HB3 1 11 LEU H 4.550 . 4.550 3.848 3.206 4.115 . 0 0 "[ . 1 . 2]" 1
1185 1 11 LEU H 1 11 LEU HB2 3.650 . 3.650 2.533 2.441 2.632 . 0 0 "[ . 1 . 2]" 1
1186 1 11 LEU H 1 11 LEU HG 4.640 . 4.640 4.453 4.422 4.490 . 0 0 "[ . 1 . 2]" 1
1187 1 11 LEU H 1 11 LEU HB3 3.650 . 3.650 2.516 2.442 2.618 . 0 0 "[ . 1 . 2]" 1
1188 1 11 LEU H 1 47 VAL MG1 4.730 . 4.730 4.250 3.976 4.470 . 0 0 "[ . 1 . 2]" 1
1189 1 10 ASN H 1 12 GLN H 4.790 . 4.790 3.931 3.750 4.139 . 0 0 "[ . 1 . 2]" 1
1190 1 10 ASN H 1 10 ASN HD21 4.950 . 4.950 3.263 2.213 4.635 . 0 0 "[ . 1 . 2]" 1
1191 1 10 ASN H 1 11 LEU H 3.620 . 3.620 2.278 2.125 2.459 . 0 0 "[ . 1 . 2]" 1
1192 1 10 ASN H 1 10 ASN HD22 4.950 . 4.950 3.989 3.359 4.716 . 0 0 "[ . 1 . 2]" 1
1193 1 10 ASN H 1 10 ASN HB2 3.950 . 3.950 2.653 2.227 3.631 . 0 0 "[ . 1 . 2]" 1
1194 1 10 ASN H 1 10 ASN HB3 3.950 . 3.950 3.524 2.832 3.686 . 0 0 "[ . 1 . 2]" 1
1195 1 10 ASN H 1 47 VAL MG1 5.500 . 5.500 5.360 4.950 5.501 0.001 14 0 "[ . 1 . 2]" 1
1196 1 10 ASN H 1 47 VAL MG2 5.500 . 5.500 4.250 3.796 4.614 . 0 0 "[ . 1 . 2]" 1
1197 1 34 LEU HG 1 38 GLN HE21 4.780 . 4.780 2.566 2.012 3.445 . 0 0 "[ . 1 . 2]" 1
1198 1 34 LEU MD2 1 38 GLN HE21 4.820 . 4.820 3.406 2.844 4.059 . 0 0 "[ . 1 . 2]" 1
1199 1 34 LEU HG 1 38 GLN HE22 4.780 . 4.780 3.049 2.179 4.211 . 0 0 "[ . 1 . 2]" 1
1200 1 34 LEU MD1 1 38 GLN HE22 4.650 . 4.650 3.482 2.509 4.286 . 0 0 "[ . 1 . 2]" 1
1201 1 34 LEU MD2 1 38 GLN HE22 4.820 . 4.820 3.257 2.324 4.456 . 0 0 "[ . 1 . 2]" 1
1202 1 37 TYR QE 1 71 ARG HE 4.580 . 4.580 3.939 3.239 4.558 . 0 0 "[ . 1 . 2]" 1
1203 1 25 ASP HB3 1 71 ARG HE 4.640 . 4.640 3.356 2.334 3.999 . 0 0 "[ . 1 . 2]" 1
1204 1 25 ASP HB2 1 71 ARG HE 4.440 . 4.440 3.930 2.914 4.435 . 0 0 "[ . 1 . 2]" 1
1205 1 24 GLU HA 1 29 ASN HD21 4.590 . 4.590 4.193 3.690 4.526 . 0 0 "[ . 1 . 2]" 1
1206 1 24 GLU HB3 1 29 ASN HD21 4.830 . 4.830 3.777 3.392 4.146 . 0 0 "[ . 1 . 2]" 1
1207 1 29 ASN HD21 1 32 GLU HB2 5.500 . 5.500 3.971 3.523 4.299 . 0 0 "[ . 1 . 2]" 1
1208 1 27 ALA MB 1 29 ASN HD21 5.400 . 5.400 4.835 4.375 5.171 . 0 0 "[ . 1 . 2]" 1
1209 1 29 ASN HD21 1 33 ALA MB 5.500 . 5.500 5.395 5.177 5.497 . 0 0 "[ . 1 . 2]" 1
1210 1 10 ASN HD22 1 46 HIS HD2 4.770 . 4.770 4.183 3.646 4.682 . 0 0 "[ . 1 . 2]" 1
1211 1 29 ASN HD22 1 32 GLU HB2 5.500 . 5.500 5.196 4.446 5.501 0.001 14 0 "[ . 1 . 2]" 1
1212 1 15 ILE H 1 17 LEU H 5.190 . 5.190 4.186 4.101 4.333 . 0 0 "[ . 1 . 2]" 1
1213 1 12 GLN H 1 12 GLN HG3 4.750 . 4.750 4.337 3.476 4.546 . 0 0 "[ . 1 . 2]" 1
1214 1 12 GLN H 1 12 GLN HG2 4.750 . 4.750 4.364 3.054 4.622 . 0 0 "[ . 1 . 2]" 1
1215 1 19 SER H 1 22 ALA H 5.070 . 5.070 4.809 4.662 4.897 . 0 0 "[ . 1 . 2]" 1
1216 1 16 ASP HA 1 19 SER H 3.950 . 3.950 3.736 3.564 3.904 . 0 0 "[ . 1 . 2]" 1
1217 1 19 SER H 1 22 ALA MB 5.500 . 5.500 4.894 4.727 5.031 . 0 0 "[ . 1 . 2]" 1
1218 1 19 SER H 1 40 ALA MB 5.500 . 5.500 4.823 4.639 5.172 . 0 0 "[ . 1 . 2]" 1
1219 1 19 SER HB2 1 20 LYS H 3.700 . 3.700 2.947 2.466 3.662 . 0 0 "[ . 1 . 2]" 1
1220 1 21 ALA H 1 23 GLN H 4.950 . 4.950 4.018 3.938 4.155 . 0 0 "[ . 1 . 2]" 1
1221 1 15 ILE MD 1 16 ASP H 4.670 . 4.670 4.409 4.104 4.502 . 0 0 "[ . 1 . 2]" 1
1222 1 12 GLN HA 1 14 ALA H 5.000 . 5.000 4.338 4.152 4.536 . 0 0 "[ . 1 . 2]" 1
1223 1 13 LYS H 1 14 ALA MB 4.920 . 4.920 4.156 3.995 4.278 . 0 0 "[ . 1 . 2]" 1
1224 1 14 ALA H 1 17 LEU MD1 4.980 . 4.980 4.225 3.695 4.634 . 0 0 "[ . 1 . 2]" 1
1225 1 26 LYS H 1 28 GLY H 4.380 . 4.380 4.206 4.025 4.353 . 0 0 "[ . 1 . 2]" 1
1226 1 29 ASN HB3 1 32 GLU H 4.590 . 4.590 3.162 2.971 3.383 . 0 0 "[ . 1 . 2]" 1
1227 1 21 ALA HA 1 33 ALA H 5.460 . 5.460 5.128 4.775 5.329 . 0 0 "[ . 1 . 2]" 1
1228 1 24 GLU HB2 1 33 ALA H 4.340 . 4.340 4.016 3.777 4.254 . 0 0 "[ . 1 . 2]" 1
1229 1 32 GLU HB2 1 33 ALA H 3.860 . 3.860 3.713 3.503 3.850 . 0 0 "[ . 1 . 2]" 1
1230 1 24 GLU HB3 1 33 ALA H 4.080 . 4.080 3.294 2.985 3.587 . 0 0 "[ . 1 . 2]" 1
1231 1 31 GLU HA 1 33 ALA H 4.820 . 4.820 4.457 4.209 4.685 . 0 0 "[ . 1 . 2]" 1
1232 1 34 LEU HG 1 35 GLN H 3.940 . 3.940 3.539 3.380 3.753 . 0 0 "[ . 1 . 2]" 1
1233 1 34 LEU MD1 1 37 TYR H 5.190 . 5.190 4.640 4.434 4.886 . 0 0 "[ . 1 . 2]" 1
1234 1 36 LEU HG 1 37 TYR H 4.600 . 4.600 4.413 4.250 4.600 . 0 0 "[ . 1 . 2]" 1
1235 1 14 ALA HA 1 44 PHE H 4.990 . 4.990 4.403 4.156 4.801 . 0 0 "[ . 1 . 2]" 1
1236 1 46 HIS H 1 48 VAL H 5.080 . 5.080 4.232 4.035 4.451 . 0 0 "[ . 1 . 2]" 1
1237 1 45 LEU HG 1 46 HIS H 5.500 . 5.500 4.540 4.371 5.225 . 0 0 "[ . 1 . 2]" 1
1238 1 46 HIS H 1 47 VAL HB 5.500 . 5.500 5.055 4.923 5.243 . 0 0 "[ . 1 . 2]" 1
1239 1 51 GLU QG 1 52 ALA H 4.550 . 4.550 4.433 4.410 4.450 . 0 0 "[ . 1 . 2]" 1
1240 1 58 LYS HB2 1 59 GLN H 3.680 . 3.680 2.507 2.375 2.602 . 0 0 "[ . 1 . 2]" 1
1241 1 59 GLN H 1 61 ILE H 5.000 . 5.000 4.318 4.171 4.428 . 0 0 "[ . 1 . 2]" 1
1242 1 61 ILE MG 1 63 ALA H 5.260 . 5.260 5.166 5.041 5.258 . 0 0 "[ . 1 . 2]" 1
1243 1 63 ALA H 1 64 LYS HB2 5.330 . 5.330 4.713 4.676 4.783 . 0 0 "[ . 1 . 2]" 1
1244 1 64 LYS H 1 66 THR H 4.390 . 4.390 3.916 3.847 3.984 . 0 0 "[ . 1 . 2]" 1
1245 1 67 GLU H 1 69 LEU H 5.000 . 5.000 3.957 3.888 4.074 . 0 0 "[ . 1 . 2]" 1
1246 1 64 LYS HB3 1 67 GLU H 5.500 . 5.500 5.076 4.998 5.219 . 0 0 "[ . 1 . 2]" 1
1247 1 64 LYS QG 1 67 GLU H 5.500 . 5.500 5.186 5.117 5.263 . 0 0 "[ . 1 . 2]" 1
1248 1 68 TYR HB2 1 69 LEU H 4.040 . 4.040 2.635 2.504 2.789 . 0 0 "[ . 1 . 2]" 1
1249 1 68 TYR H 1 70 ASP H 4.300 . 4.300 4.139 3.984 4.300 . 0 0 "[ . 1 . 2]" 1
1250 1 68 TYR HA 1 71 ARG H 4.000 . 4.000 3.465 3.311 3.695 . 0 0 "[ . 1 . 2]" 1
1251 1 69 LEU HA 1 71 ARG H 4.740 . 4.740 4.517 4.314 4.740 . 0 0 "[ . 1 . 2]" 1
1252 1 73 GLU HB2 1 74 LYS H 4.020 . 4.020 2.747 2.632 2.924 . 0 0 "[ . 1 . 2]" 1
1253 1 79 LEU H 1 81 ASN H 5.020 . 5.020 4.014 3.916 4.273 . 0 0 "[ . 1 . 2]" 1
1254 1 22 ALA H 1 37 TYR QD 4.530 . 4.530 4.505 4.402 4.530 0.000 8 0 "[ . 1 . 2]" 1
1255 1 10 ASN H 1 10 ASN QB 3.400 . 3.400 2.497 2.204 2.856 . 0 0 "[ . 1 . 2]" 1
1256 1 10 ASN H 1 10 ASN QD 4.130 . 4.130 3.065 2.184 4.124 . 0 0 "[ . 1 . 2]" 1
1257 1 10 ASN QB 1 11 LEU H 3.950 . 3.950 2.847 2.559 3.481 . 0 0 "[ . 1 . 2]" 1
1258 1 10 ASN QB 1 43 TYR QD 5.120 . 5.120 3.055 2.745 3.612 . 0 0 "[ . 1 . 2]" 1
1259 1 10 ASN QB 1 43 TYR QE 5.020 . 5.020 4.852 4.560 5.020 . 0 0 "[ . 1 . 2]" 1
1260 1 10 ASN QB 1 46 HIS HD2 4.000 . 4.000 3.108 2.839 3.481 . 0 0 "[ . 1 . 2]" 1
1261 1 10 ASN QB 1 47 VAL QG 3.590 . 3.590 2.539 1.955 3.333 . 0 0 "[ . 1 . 2]" 1
1262 1 10 ASN QD 1 46 HIS HD2 4.010 . 4.010 3.511 2.662 4.010 . 0 0 "[ . 1 . 2]" 1
1263 1 11 LEU H 1 11 LEU QB 3.200 . 3.200 2.246 2.236 2.263 . 0 0 "[ . 1 . 2]" 1
1264 1 11 LEU H 1 11 LEU QD 4.280 . 4.280 3.712 3.669 3.748 . 0 0 "[ . 1 . 2]" 1
1265 1 11 LEU H 1 47 VAL QG 3.900 . 3.900 3.079 2.709 3.474 . 0 0 "[ . 1 . 2]" 1
1266 1 11 LEU HA 1 11 LEU QD 3.390 . 3.390 2.442 2.292 2.568 . 0 0 "[ . 1 . 2]" 1
1267 1 11 LEU HA 1 47 VAL QG 3.490 . 3.490 2.599 2.369 2.891 . 0 0 "[ . 1 . 2]" 1
1268 1 11 LEU QB 1 12 GLN H 3.370 . 3.370 2.550 2.370 2.703 . 0 0 "[ . 1 . 2]" 1
1269 1 11 LEU QB 1 47 VAL QG 3.410 . 3.410 2.200 1.837 2.634 . 0 0 "[ . 1 . 2]" 1
1270 1 11 LEU HG 1 47 VAL QG 5.080 . 5.080 3.961 3.572 4.423 . 0 0 "[ . 1 . 2]" 1
1271 1 11 LEU QD 1 12 GLN H 4.120 . 4.120 3.764 3.566 3.974 . 0 0 "[ . 1 . 2]" 1
1272 1 11 LEU QD 1 14 ALA H 5.380 . 5.380 4.714 4.613 4.790 . 0 0 "[ . 1 . 2]" 1
1273 1 11 LEU QD 1 14 ALA MB 3.730 . 3.730 3.209 3.008 3.489 . 0 0 "[ . 1 . 2]" 1
1274 1 11 LEU QD 1 15 ILE H 4.660 . 4.660 4.542 4.289 4.658 . 0 0 "[ . 1 . 2]" 1
1275 1 11 LEU QD 1 15 ILE MG 5.210 . 5.210 4.694 4.371 4.823 . 0 0 "[ . 1 . 2]" 1
1276 1 11 LEU QD 1 15 ILE QG 4.230 . 4.230 3.256 2.898 3.367 . 0 0 "[ . 1 . 2]" 1
1277 1 11 LEU QD 1 15 ILE MD 2.910 . 2.910 2.459 2.146 2.646 . 0 0 "[ . 1 . 2]" 1
1278 1 11 LEU QD 1 44 PHE QD 3.270 . 3.270 2.734 2.196 3.235 . 0 0 "[ . 1 . 2]" 1
1279 1 11 LEU QD 1 44 PHE QE 3.390 . 3.390 2.850 2.544 3.226 . 0 0 "[ . 1 . 2]" 1
1280 1 11 LEU QD 1 47 VAL QG 3.340 . 3.340 2.055 1.733 2.551 . 0 0 "[ . 1 . 2]" 1
1281 1 11 LEU QD 1 53 GLN QG 4.310 . 4.310 2.778 2.112 3.239 . 0 0 "[ . 1 . 2]" 1
1282 1 11 LEU QD 1 53 GLN QE 3.970 . 3.970 2.158 1.708 2.797 . 0 0 "[ . 1 . 2]" 1
1283 1 11 LEU QD 1 61 ILE MG 4.890 . 4.890 3.789 3.369 4.204 . 0 0 "[ . 1 . 2]" 1
1284 1 11 LEU QD 1 61 ILE MD 3.770 . 3.770 2.398 1.861 2.755 . 0 0 "[ . 1 . 2]" 1
1285 1 12 GLN H 1 12 GLN QB 3.220 . 3.220 2.208 2.146 2.242 . 0 0 "[ . 1 . 2]" 1
1286 1 12 GLN H 1 12 GLN QG 4.120 . 4.120 3.869 2.867 4.037 . 0 0 "[ . 1 . 2]" 1
1287 1 12 GLN QB 1 13 LYS H 3.360 . 3.360 2.685 2.365 2.846 . 0 0 "[ . 1 . 2]" 1
1288 1 12 GLN QG 1 13 LYS H 4.880 . 4.880 4.132 3.730 4.571 . 0 0 "[ . 1 . 2]" 1
1289 1 12 GLN QG 1 15 ILE MD 4.730 . 4.730 3.930 3.636 4.380 . 0 0 "[ . 1 . 2]" 1
1290 1 13 LYS H 1 13 LYS QG 4.070 . 4.070 3.937 3.786 4.056 . 0 0 "[ . 1 . 2]" 1
1291 1 13 LYS HA 1 13 LYS QG 3.600 . 3.600 2.567 2.196 2.992 . 0 0 "[ . 1 . 2]" 1
1292 1 13 LYS HA 1 13 LYS QD 4.120 . 4.120 2.987 2.097 3.906 . 0 0 "[ . 1 . 2]" 1
1293 1 13 LYS QG 1 14 ALA H 5.100 . 5.100 4.061 3.668 4.428 . 0 0 "[ . 1 . 2]" 1
1294 1 13 LYS QG 1 14 ALA MB 5.340 . 5.340 4.842 4.383 5.340 0.000 19 0 "[ . 1 . 2]" 1
1295 1 13 LYS QG 1 17 LEU HG 4.500 . 4.500 3.194 2.651 3.827 . 0 0 "[ . 1 . 2]" 1
1296 1 13 LYS QG 1 17 LEU MD2 4.890 . 4.890 3.823 3.038 4.387 . 0 0 "[ . 1 . 2]" 1
1297 1 13 LYS QG 1 43 TYR QE 4.620 . 4.620 3.517 2.649 4.537 . 0 0 "[ . 1 . 2]" 1
1298 1 13 LYS QD 1 14 ALA H 5.340 . 5.340 4.692 3.922 4.983 . 0 0 "[ . 1 . 2]" 1
1299 1 13 LYS QD 1 17 LEU HG 3.300 . 3.300 3.134 2.823 3.300 0.000 11 0 "[ . 1 . 2]" 1
1300 1 13 LYS QD 1 43 TYR QE 4.230 . 4.230 3.507 2.501 4.230 0.000 14 0 "[ . 1 . 2]" 1
1301 1 13 LYS QE 1 17 LEU MD1 4.330 . 4.330 3.100 1.968 4.053 . 0 0 "[ . 1 . 2]" 1
1302 1 13 LYS QE 1 17 LEU MD2 4.690 . 4.690 3.793 2.482 4.639 . 0 0 "[ . 1 . 2]" 1
1303 1 13 LYS QE 1 43 TYR QE 4.230 . 4.230 3.624 2.147 4.229 . 0 0 "[ . 1 . 2]" 1
1304 1 14 ALA HA 1 43 TYR QB 4.390 . 4.390 2.569 2.350 2.797 . 0 0 "[ . 1 . 2]" 1
1305 1 14 ALA MB 1 47 VAL QG 4.120 . 4.120 3.438 3.043 3.724 . 0 0 "[ . 1 . 2]" 1
1306 1 15 ILE QG 1 15 ILE MG 3.330 . 3.330 2.211 1.964 2.321 . 0 0 "[ . 1 . 2]" 1
1307 1 15 ILE QG 1 16 ASP H 4.630 . 4.630 3.887 3.802 4.035 . 0 0 "[ . 1 . 2]" 1
1308 1 15 ILE QG 1 44 PHE QD 5.340 . 5.340 4.298 4.088 4.568 . 0 0 "[ . 1 . 2]" 1
1309 1 15 ILE QG 1 44 PHE QE 4.340 . 4.340 2.427 2.189 2.679 . 0 0 "[ . 1 . 2]" 1
1310 1 16 ASP HA 1 19 SER QB 3.820 . 3.820 3.076 2.720 3.271 . 0 0 "[ . 1 . 2]" 1
1311 1 17 LEU H 1 36 LEU QD 5.440 . 5.440 5.107 4.811 5.236 . 0 0 "[ . 1 . 2]" 1
1312 1 17 LEU HA 1 20 LYS QB 4.010 . 4.010 2.767 2.446 3.119 . 0 0 "[ . 1 . 2]" 1
1313 1 17 LEU HA 1 36 LEU QD 4.840 . 4.840 2.963 2.563 3.176 . 0 0 "[ . 1 . 2]" 1
1314 1 17 LEU HB3 1 36 LEU QD 3.860 . 3.860 3.064 2.822 3.340 . 0 0 "[ . 1 . 2]" 1
1315 1 17 LEU MD1 1 39 HIS QB 3.380 . 3.380 1.906 1.789 1.993 . 0 0 "[ . 1 . 2]" 1
1316 1 17 LEU MD2 1 36 LEU QD 3.670 . 3.670 1.867 1.660 2.356 . 0 0 "[ . 1 . 2]" 1
1317 1 19 SER H 1 19 SER QB 3.100 . 3.100 2.230 2.110 2.472 . 0 0 "[ . 1 . 2]" 1
1318 1 19 SER H 1 20 LYS QB 4.930 . 4.930 4.438 4.319 4.529 . 0 0 "[ . 1 . 2]" 1
1319 1 19 SER QB 1 20 LYS H 3.240 . 3.240 2.566 2.422 2.700 . 0 0 "[ . 1 . 2]" 1
1320 1 20 LYS H 1 20 LYS QB 3.090 . 3.090 2.185 2.137 2.319 . 0 0 "[ . 1 . 2]" 1
1321 1 20 LYS H 1 20 LYS QG 4.020 . 4.020 3.311 2.469 3.920 . 0 0 "[ . 1 . 2]" 1
1322 1 20 LYS H 1 36 LEU QD 4.750 . 4.750 4.429 4.180 4.599 . 0 0 "[ . 1 . 2]" 1
1323 1 20 LYS HA 1 20 LYS QB 2.620 . 2.620 2.476 2.419 2.499 . 0 0 "[ . 1 . 2]" 1
1324 1 20 LYS HA 1 20 LYS QG 3.260 . 3.260 2.289 2.121 2.431 . 0 0 "[ . 1 . 2]" 1
1325 1 20 LYS HA 1 36 LEU QD 4.600 . 4.600 4.366 4.112 4.581 . 0 0 "[ . 1 . 2]" 1
1326 1 20 LYS QB 1 20 LYS QE 3.370 . 3.370 2.508 1.970 3.357 . 0 0 "[ . 1 . 2]" 1
1327 1 20 LYS QB 1 21 ALA H 3.560 . 3.560 2.664 2.496 2.807 . 0 0 "[ . 1 . 2]" 1
1328 1 20 LYS QB 1 23 GLN HB2 4.770 . 4.770 4.635 4.325 4.769 . 0 0 "[ . 1 . 2]" 1
1329 1 20 LYS QB 1 36 LEU QD 3.250 . 3.250 2.472 2.080 2.699 . 0 0 "[ . 1 . 2]" 1
1330 1 20 LYS QE 1 20 LYS QG 2.960 . 2.960 2.217 1.986 2.567 . 0 0 "[ . 1 . 2]" 1
1331 1 20 LYS QG 1 36 LEU QD 4.050 . 4.050 3.534 2.735 4.048 . 0 0 "[ . 1 . 2]" 1
1332 1 20 LYS QD 1 36 LEU QD 4.830 . 4.830 3.265 1.977 3.950 . 0 0 "[ . 1 . 2]" 1
1333 1 21 ALA H 1 36 LEU QD 3.800 . 3.800 3.260 2.913 3.582 . 0 0 "[ . 1 . 2]" 1
1334 1 21 ALA HA 1 36 LEU QD 3.700 . 3.700 2.200 1.927 2.608 . 0 0 "[ . 1 . 2]" 1
1335 1 21 ALA MB 1 36 LEU QD 3.690 . 3.690 2.765 2.562 3.024 . 0 0 "[ . 1 . 2]" 1
1336 1 22 ALA MB 1 23 GLN QG 4.020 . 4.020 3.468 3.308 3.618 . 0 0 "[ . 1 . 2]" 1
1337 1 23 GLN H 1 23 GLN QG 3.460 . 3.460 2.862 2.659 3.020 . 0 0 "[ . 1 . 2]" 1
1338 1 23 GLN HA 1 23 GLN QG 3.160 . 3.160 2.213 2.118 2.349 . 0 0 "[ . 1 . 2]" 1
1339 1 23 GLN HB3 1 23 GLN QE 4.280 . 4.280 3.082 2.023 3.930 . 0 0 "[ . 1 . 2]" 1
1340 1 23 GLN QG 1 27 ALA MB 5.180 . 5.180 4.950 4.617 5.174 . 0 0 "[ . 1 . 2]" 1
1341 1 24 GLU H 1 24 GLU QG 3.240 . 3.240 2.540 2.403 2.758 . 0 0 "[ . 1 . 2]" 1
1342 1 24 GLU H 1 36 LEU QD 4.650 . 4.650 4.261 3.851 4.431 . 0 0 "[ . 1 . 2]" 1
1343 1 24 GLU HB3 1 36 LEU QD 4.600 . 4.600 3.581 3.337 3.806 . 0 0 "[ . 1 . 2]" 1
1344 1 24 GLU QG 1 29 ASN HB2 4.890 . 4.890 3.947 3.674 4.170 . 0 0 "[ . 1 . 2]" 1
1345 1 24 GLU QG 1 29 ASN HD21 5.280 . 5.280 4.125 3.793 4.498 . 0 0 "[ . 1 . 2]" 1
1346 1 24 GLU QG 1 33 ALA MB 4.450 . 4.450 3.530 3.353 3.692 . 0 0 "[ . 1 . 2]" 1
1347 1 24 GLU QG 1 36 LEU QD 3.680 . 3.680 2.126 1.869 2.435 . 0 0 "[ . 1 . 2]" 1
1348 1 25 ASP HB2 1 75 LEU QD 4.140 . 4.140 3.278 2.913 3.628 . 0 0 "[ . 1 . 2]" 1
1349 1 30 TYR HA 1 75 LEU QD 4.180 . 4.180 2.347 2.070 2.643 . 0 0 "[ . 1 . 2]" 1
1350 1 30 TYR HB2 1 75 LEU QD 4.670 . 4.670 3.507 3.199 3.906 . 0 0 "[ . 1 . 2]" 1
1351 1 30 TYR HB3 1 75 LEU QD 3.890 . 3.890 2.160 1.842 2.740 . 0 0 "[ . 1 . 2]" 1
1352 1 30 TYR QD 1 75 LEU QD 3.350 . 3.350 2.533 2.255 2.748 . 0 0 "[ . 1 . 2]" 1
1353 1 30 TYR QE 1 75 LEU QD 3.490 . 3.490 2.942 2.638 3.295 . 0 0 "[ . 1 . 2]" 1
1354 1 31 GLU H 1 31 GLU QB 3.120 . 3.120 2.233 2.066 2.467 . 0 0 "[ . 1 . 2]" 1
1355 1 31 GLU H 1 31 GLU QG 3.630 . 3.630 2.879 2.102 3.635 0.005 2 0 "[ . 1 . 2]" 1
1356 1 31 GLU HA 1 31 GLU QG 3.420 . 3.420 2.231 2.095 2.480 . 0 0 "[ . 1 . 2]" 1
1357 1 31 GLU HA 1 75 LEU QD 4.760 . 4.760 4.076 3.646 4.339 . 0 0 "[ . 1 . 2]" 1
1358 1 31 GLU QB 1 32 GLU H 3.470 . 3.470 2.360 2.231 2.447 . 0 0 "[ . 1 . 2]" 1
1359 1 31 GLU QB 1 33 ALA H 4.930 . 4.930 4.455 4.348 4.582 . 0 0 "[ . 1 . 2]" 1
1360 1 31 GLU QB 1 79 LEU MD2 5.140 . 5.140 4.100 3.722 4.350 . 0 0 "[ . 1 . 2]" 1
1361 1 31 GLU QG 1 79 LEU MD2 3.530 . 3.530 2.499 1.990 3.206 . 0 0 "[ . 1 . 2]" 1
1362 1 32 GLU HA 1 36 LEU QD 5.440 . 5.440 3.845 3.610 3.961 . 0 0 "[ . 1 . 2]" 1
1363 1 32 GLU HB3 1 36 LEU QD 4.580 . 4.580 3.212 2.940 3.360 . 0 0 "[ . 1 . 2]" 1
1364 1 32 GLU HG2 1 36 LEU QD 4.070 . 4.070 2.762 1.974 3.291 . 0 0 "[ . 1 . 2]" 1
1365 1 32 GLU HG3 1 36 LEU QD 4.000 . 4.000 2.540 1.937 2.987 . 0 0 "[ . 1 . 2]" 1
1366 1 33 ALA H 1 36 LEU QD 5.130 . 5.130 3.664 3.481 3.836 . 0 0 "[ . 1 . 2]" 1
1367 1 33 ALA H 1 75 LEU QD 5.310 . 5.310 4.289 4.097 4.462 . 0 0 "[ . 1 . 2]" 1
1368 1 33 ALA HA 1 36 LEU QD 3.910 . 3.910 1.996 1.945 2.166 . 0 0 "[ . 1 . 2]" 1
1369 1 33 ALA MB 1 36 LEU QD 4.220 . 4.220 3.329 3.239 3.451 . 0 0 "[ . 1 . 2]" 1
1370 1 33 ALA MB 1 75 LEU QD 3.350 . 3.350 2.702 2.369 2.962 . 0 0 "[ . 1 . 2]" 1
1371 1 34 LEU H 1 36 LEU QD 5.440 . 5.440 4.622 4.488 4.735 . 0 0 "[ . 1 . 2]" 1
1372 1 34 LEU H 1 75 LEU QD 3.730 . 3.730 3.109 2.827 3.268 . 0 0 "[ . 1 . 2]" 1
1373 1 34 LEU HA 1 37 TYR QB 4.760 . 4.760 2.732 2.488 2.827 . 0 0 "[ . 1 . 2]" 1
1374 1 34 LEU HB2 1 75 LEU QD 4.570 . 4.570 2.378 1.980 2.593 . 0 0 "[ . 1 . 2]" 1
1375 1 34 LEU HB3 1 75 LEU QD 4.730 . 4.730 3.739 3.478 3.922 . 0 0 "[ . 1 . 2]" 1
1376 1 34 LEU HG 1 37 TYR QB 5.340 . 5.340 4.609 4.410 4.848 . 0 0 "[ . 1 . 2]" 1
1377 1 34 LEU MD1 1 37 TYR QB 4.450 . 4.450 3.186 2.885 3.446 . 0 0 "[ . 1 . 2]" 1
1378 1 34 LEU MD1 1 38 GLN QG 3.750 . 3.750 3.077 2.668 3.512 . 0 0 "[ . 1 . 2]" 1
1379 1 34 LEU MD1 1 38 GLN QE 3.970 . 3.970 2.489 1.921 3.468 . 0 0 "[ . 1 . 2]" 1
1380 1 34 LEU MD1 1 75 LEU QB 3.650 . 3.650 2.076 1.791 2.336 . 0 0 "[ . 1 . 2]" 1
1381 1 34 LEU MD1 1 76 LYS QB 4.520 . 4.520 2.053 1.926 2.585 . 0 0 "[ . 1 . 2]" 1
1382 1 34 LEU MD2 1 38 GLN QG 5.340 . 5.340 4.572 4.147 4.891 . 0 0 "[ . 1 . 2]" 1
1383 1 34 LEU MD2 1 38 GLN QE 4.230 . 4.230 2.904 2.288 3.764 . 0 0 "[ . 1 . 2]" 1
1384 1 34 LEU MD2 1 75 LEU QB 5.020 . 5.020 2.855 2.181 3.270 . 0 0 "[ . 1 . 2]" 1
1385 1 34 LEU MD2 1 76 LYS QB 3.990 . 3.990 1.908 1.839 1.990 . 0 0 "[ . 1 . 2]" 1
1386 1 35 GLN H 1 35 GLN QB 3.200 . 3.200 2.330 2.173 2.545 . 0 0 "[ . 1 . 2]" 1
1387 1 35 GLN HA 1 35 GLN QG 3.470 . 3.470 2.530 2.100 3.340 . 0 0 "[ . 1 . 2]" 1
1388 1 35 GLN HA 1 35 GLN QE 4.800 . 4.800 3.947 2.156 4.768 . 0 0 "[ . 1 . 2]" 1
1389 1 35 GLN HA 1 38 GLN QG 4.650 . 4.650 3.733 2.915 4.374 . 0 0 "[ . 1 . 2]" 1
1390 1 35 GLN HA 1 38 GLN QE 4.910 . 4.910 3.583 1.986 4.690 . 0 0 "[ . 1 . 2]" 1
1391 1 35 GLN QB 1 36 LEU H 3.610 . 3.610 2.921 2.590 3.515 . 0 0 "[ . 1 . 2]" 1
1392 1 35 GLN QB 1 36 LEU HG 5.340 . 5.340 3.526 3.158 4.287 . 0 0 "[ . 1 . 2]" 1
1393 1 35 GLN QG 1 36 LEU H 4.730 . 4.730 3.875 2.039 4.631 . 0 0 "[ . 1 . 2]" 1
1394 1 36 LEU H 1 36 LEU QD 3.680 . 3.680 3.100 2.998 3.179 . 0 0 "[ . 1 . 2]" 1
1395 1 36 LEU HA 1 36 LEU QD 3.150 . 3.150 2.306 2.121 2.550 . 0 0 "[ . 1 . 2]" 1
1396 1 36 LEU HA 1 39 HIS QB 3.710 . 3.710 2.486 2.386 2.612 . 0 0 "[ . 1 . 2]" 1
1397 1 36 LEU HB2 1 37 TYR QB 5.340 . 5.340 4.664 4.628 4.709 . 0 0 "[ . 1 . 2]" 1
1398 1 37 TYR H 1 37 TYR QB 3.430 . 3.430 2.342 2.311 2.373 . 0 0 "[ . 1 . 2]" 1
1399 1 37 TYR H 1 75 LEU QD 5.440 . 5.440 5.365 5.034 5.440 0.000 9 0 "[ . 1 . 2]" 1
1400 1 37 TYR QB 1 38 GLN H 3.770 . 3.770 2.572 2.405 2.732 . 0 0 "[ . 1 . 2]" 1
1401 1 37 TYR QB 1 72 ALA H 5.160 . 5.160 3.713 3.548 4.133 . 0 0 "[ . 1 . 2]" 1
1402 1 37 TYR QB 1 72 ALA MB 3.600 . 3.600 1.857 1.806 2.157 . 0 0 "[ . 1 . 2]" 1
1403 1 37 TYR QD 1 75 LEU QD 5.280 . 5.280 2.909 2.444 3.070 . 0 0 "[ . 1 . 2]" 1
1404 1 37 TYR QE 1 75 LEU QD 2.890 . 2.890 2.510 2.166 2.817 . 0 0 "[ . 1 . 2]" 1
1405 1 38 GLN H 1 38 GLN QG 3.310 . 3.310 2.314 2.093 2.524 . 0 0 "[ . 1 . 2]" 1
1406 1 38 GLN H 1 38 GLN QE 5.340 . 5.340 4.167 3.351 4.672 . 0 0 "[ . 1 . 2]" 1
1407 1 38 GLN HA 1 38 GLN QG 3.300 . 3.300 2.413 2.282 2.516 . 0 0 "[ . 1 . 2]" 1
1408 1 38 GLN HA 1 69 LEU QD 4.310 . 4.310 3.663 3.151 4.070 . 0 0 "[ . 1 . 2]" 1
1409 1 38 GLN QG 1 39 HIS H 4.640 . 4.640 4.110 3.920 4.256 . 0 0 "[ . 1 . 2]" 1
1410 1 38 GLN QG 1 69 LEU QD 4.420 . 4.420 3.789 3.400 4.130 . 0 0 "[ . 1 . 2]" 1
1411 1 38 GLN QG 1 72 ALA MB 3.880 . 3.880 2.748 2.515 3.134 . 0 0 "[ . 1 . 2]" 1
1412 1 38 GLN QE 1 72 ALA MB 4.760 . 4.760 3.415 2.697 4.298 . 0 0 "[ . 1 . 2]" 1
1413 1 39 HIS H 1 39 HIS QB 3.060 . 3.060 2.177 2.162 2.235 . 0 0 "[ . 1 . 2]" 1
1414 1 39 HIS HA 1 42 GLN QG 4.560 . 4.560 3.322 2.885 3.783 . 0 0 "[ . 1 . 2]" 1
1415 1 39 HIS QB 1 40 ALA H 3.540 . 3.540 2.619 2.568 2.730 . 0 0 "[ . 1 . 2]" 1
1416 1 39 HIS QB 1 40 ALA HA 4.640 . 4.640 3.809 3.788 3.874 . 0 0 "[ . 1 . 2]" 1
1417 1 39 HIS QB 1 42 GLN H 5.340 . 5.340 4.803 4.721 4.931 . 0 0 "[ . 1 . 2]" 1
1418 1 39 HIS QB 1 43 TYR H 5.340 . 5.340 4.787 4.592 4.887 . 0 0 "[ . 1 . 2]" 1
1419 1 39 HIS QB 1 43 TYR QE 3.870 . 3.870 2.169 2.026 2.253 . 0 0 "[ . 1 . 2]" 1
1420 1 40 ALA HA 1 43 TYR QB 4.590 . 4.590 3.166 2.792 3.323 . 0 0 "[ . 1 . 2]" 1
1421 1 41 VAL H 1 42 GLN QG 5.290 . 5.290 4.760 4.537 4.976 . 0 0 "[ . 1 . 2]" 1
1422 1 41 VAL H 1 45 LEU QD 5.440 . 5.440 5.342 4.832 5.440 0.000 8 0 "[ . 1 . 2]" 1
1423 1 41 VAL H 1 69 LEU QD 5.440 . 5.440 4.809 4.393 5.174 . 0 0 "[ . 1 . 2]" 1
1424 1 41 VAL HA 1 45 LEU QD 4.610 . 4.610 3.734 2.856 3.955 . 0 0 "[ . 1 . 2]" 1
1425 1 41 VAL HB 1 69 LEU QD 4.190 . 4.190 3.178 2.762 3.667 . 0 0 "[ . 1 . 2]" 1
1426 1 41 VAL MG1 1 42 GLN QG 4.380 . 4.380 4.208 3.928 4.332 . 0 0 "[ . 1 . 2]" 1
1427 1 41 VAL MG1 1 45 LEU QD 2.880 . 2.880 1.888 1.705 2.064 . 0 0 "[ . 1 . 2]" 1
1428 1 41 VAL MG1 1 65 CYS QB 3.960 . 3.960 2.818 2.396 3.534 . 0 0 "[ . 1 . 2]" 1
1429 1 41 VAL MG1 1 69 LEU QB 5.030 . 5.030 3.894 2.696 4.415 . 0 0 "[ . 1 . 2]" 1
1430 1 41 VAL MG1 1 69 LEU QD 3.010 . 3.010 1.951 1.765 2.319 . 0 0 "[ . 1 . 2]" 1
1431 1 41 VAL MG2 1 65 CYS QB 4.450 . 4.450 3.892 3.591 4.214 . 0 0 "[ . 1 . 2]" 1
1432 1 41 VAL MG2 1 69 LEU QD 3.660 . 3.660 2.376 1.840 2.671 . 0 0 "[ . 1 . 2]" 1
1433 1 42 GLN H 1 42 GLN QG 3.570 . 3.570 2.768 2.457 2.873 . 0 0 "[ . 1 . 2]" 1
1434 1 42 GLN HA 1 42 GLN QG 3.600 . 3.600 2.272 2.103 2.591 . 0 0 "[ . 1 . 2]" 1
1435 1 42 GLN HA 1 45 LEU QD 4.070 . 4.070 3.430 3.266 3.575 . 0 0 "[ . 1 . 2]" 1
1436 1 42 GLN HB3 1 42 GLN QE 4.340 . 4.340 3.152 2.175 4.009 . 0 0 "[ . 1 . 2]" 1
1437 1 43 TYR H 1 43 TYR QB 3.260 . 3.260 2.431 2.361 2.482 . 0 0 "[ . 1 . 2]" 1
1438 1 43 TYR HA 1 46 HIS QB 3.560 . 3.560 2.491 2.308 2.728 . 0 0 "[ . 1 . 2]" 1
1439 1 43 TYR QB 1 44 PHE H 3.760 . 3.760 2.670 2.597 2.796 . 0 0 "[ . 1 . 2]" 1
1440 1 44 PHE H 1 47 VAL QG 5.220 . 5.220 4.466 4.264 4.636 . 0 0 "[ . 1 . 2]" 1
1441 1 44 PHE HA 1 47 VAL QG 3.690 . 3.690 2.842 2.459 3.155 . 0 0 "[ . 1 . 2]" 1
1442 1 44 PHE HB2 1 45 LEU QD 4.570 . 4.570 3.845 2.746 4.102 . 0 0 "[ . 1 . 2]" 1
1443 1 44 PHE HB3 1 48 VAL QG 5.030 . 5.030 3.577 2.982 4.165 . 0 0 "[ . 1 . 2]" 1
1444 1 44 PHE QD 1 47 VAL QG 3.990 . 3.990 3.644 3.089 3.878 . 0 0 "[ . 1 . 2]" 1
1445 1 44 PHE QD 1 65 CYS QB 5.340 . 5.340 4.886 3.448 5.176 . 0 0 "[ . 1 . 2]" 1
1446 1 44 PHE QE 1 47 VAL QG 5.440 . 5.440 4.791 4.393 4.994 . 0 0 "[ . 1 . 2]" 1
1447 1 45 LEU HA 1 45 LEU QD 3.120 . 3.120 2.155 2.065 2.398 . 0 0 "[ . 1 . 2]" 1
1448 1 45 LEU HA 1 48 VAL QG 3.740 . 3.740 2.847 2.497 3.396 . 0 0 "[ . 1 . 2]" 1
1449 1 45 LEU QD 1 46 HIS H 4.780 . 4.780 4.150 3.896 4.225 . 0 0 "[ . 1 . 2]" 1
1450 1 45 LEU QD 1 48 VAL H 5.440 . 5.440 4.735 4.574 5.031 . 0 0 "[ . 1 . 2]" 1
1451 1 45 LEU QD 1 65 CYS HA 5.350 . 5.350 4.353 3.788 4.804 . 0 0 "[ . 1 . 2]" 1
1452 1 45 LEU QD 1 65 CYS QB 4.050 . 4.050 2.630 1.907 3.136 . 0 0 "[ . 1 . 2]" 1
1453 1 46 HIS H 1 47 VAL QG 4.270 . 4.270 3.923 3.742 3.990 . 0 0 "[ . 1 . 2]" 1
1454 1 46 HIS QB 1 47 VAL H 3.760 . 3.760 2.611 2.257 2.781 . 0 0 "[ . 1 . 2]" 1
1455 1 46 HIS QB 1 47 VAL QG 4.770 . 4.770 2.989 2.819 3.759 . 0 0 "[ . 1 . 2]" 1
1456 1 46 HIS QB 1 50 TYR QD 5.220 . 5.220 4.586 4.373 4.751 . 0 0 "[ . 1 . 2]" 1
1457 1 46 HIS HD2 1 47 VAL QG 4.320 . 4.320 3.164 2.931 4.155 . 0 0 "[ . 1 . 2]" 1
1458 1 47 VAL H 1 47 VAL QG 3.100 . 3.100 2.102 1.956 2.229 . 0 0 "[ . 1 . 2]" 1
1459 1 47 VAL H 1 48 VAL QG 4.920 . 4.920 3.855 3.625 4.095 . 0 0 "[ . 1 . 2]" 1
1460 1 47 VAL HB 1 48 VAL QG 4.810 . 4.810 3.041 2.814 4.411 . 0 0 "[ . 1 . 2]" 1
1461 1 47 VAL QG 1 48 VAL H 3.410 . 3.410 3.155 1.908 3.352 . 0 0 "[ . 1 . 2]" 1
1462 1 47 VAL QG 1 51 GLU H 4.220 . 4.220 3.421 3.223 3.762 . 0 0 "[ . 1 . 2]" 1
1463 1 47 VAL QG 1 52 ALA H 4.030 . 4.030 3.920 3.812 4.028 . 0 0 "[ . 1 . 2]" 1
1464 1 47 VAL QG 1 52 ALA MB 3.590 . 3.590 3.038 2.195 3.320 . 0 0 "[ . 1 . 2]" 1
1465 1 47 VAL QG 1 53 GLN QG 3.940 . 3.940 3.470 2.775 3.939 . 0 0 "[ . 1 . 2]" 1
1466 1 47 VAL QG 1 53 GLN QE 4.730 . 4.730 3.533 2.114 4.642 . 0 0 "[ . 1 . 2]" 1
1467 1 47 VAL QG 1 57 ALA MB 5.110 . 5.110 4.757 4.411 5.001 . 0 0 "[ . 1 . 2]" 1
1468 1 47 VAL QG 1 61 ILE MD 3.510 . 3.510 2.993 1.957 3.273 . 0 0 "[ . 1 . 2]" 1
1469 1 48 VAL H 1 48 VAL QG 3.200 . 3.200 2.046 1.955 2.151 . 0 0 "[ . 1 . 2]" 1
1470 1 48 VAL HA 1 48 VAL QG 3.090 . 3.090 2.090 2.035 2.163 . 0 0 "[ . 1 . 2]" 1
1471 1 48 VAL QG 1 49 LYS H 3.610 . 3.610 3.306 3.252 3.333 . 0 0 "[ . 1 . 2]" 1
1472 1 48 VAL QG 1 49 LYS HA 4.440 . 4.440 3.684 3.609 3.771 . 0 0 "[ . 1 . 2]" 1
1473 1 48 VAL QG 1 49 LYS HB2 4.750 . 4.750 4.399 4.314 4.625 . 0 0 "[ . 1 . 2]" 1
1474 1 48 VAL QG 1 52 ALA H 4.590 . 4.590 4.052 3.636 4.257 . 0 0 "[ . 1 . 2]" 1
1475 1 48 VAL QG 1 52 ALA MB 3.510 . 3.510 2.489 2.015 2.756 . 0 0 "[ . 1 . 2]" 1
1476 1 48 VAL QG 1 58 LYS HA 3.570 . 3.570 2.660 2.357 2.993 . 0 0 "[ . 1 . 2]" 1
1477 1 48 VAL QG 1 58 LYS QG 4.060 . 4.060 2.236 1.847 2.641 . 0 0 "[ . 1 . 2]" 1
1478 1 48 VAL QG 1 58 LYS QD 3.960 . 3.960 3.442 2.821 3.760 . 0 0 "[ . 1 . 2]" 1
1479 1 48 VAL QG 1 58 LYS QE 4.760 . 4.760 3.676 2.814 4.642 . 0 0 "[ . 1 . 2]" 1
1480 1 48 VAL QG 1 61 ILE H 4.800 . 4.800 4.121 3.897 4.426 . 0 0 "[ . 1 . 2]" 1
1481 1 48 VAL QG 1 61 ILE HB 3.260 . 3.260 2.285 2.051 2.663 . 0 0 "[ . 1 . 2]" 1
1482 1 48 VAL QG 1 61 ILE MG 3.110 . 3.110 2.175 1.833 2.712 . 0 0 "[ . 1 . 2]" 1
1483 1 48 VAL QG 1 61 ILE MD 3.270 . 3.270 1.884 1.692 2.257 . 0 0 "[ . 1 . 2]" 1
1484 1 48 VAL QG 1 62 ARG H 4.500 . 4.500 3.932 3.613 4.437 . 0 0 "[ . 1 . 2]" 1
1485 1 48 VAL QG 1 62 ARG HA 4.780 . 4.780 4.215 3.802 4.780 . 12 0 "[ . 1 . 2]" 1
1486 1 48 VAL QG 1 62 ARG QG 3.980 . 3.980 3.006 2.609 3.578 . 0 0 "[ . 1 . 2]" 1
1487 1 48 VAL QG 1 62 ARG QD 4.640 . 4.640 3.926 3.108 4.510 . 0 0 "[ . 1 . 2]" 1
1488 1 49 LYS H 1 49 LYS QG 4.440 . 4.440 3.948 3.790 4.034 . 0 0 "[ . 1 . 2]" 1
1489 1 49 LYS QG 1 50 TYR QD 4.380 . 4.380 3.777 2.562 4.278 . 0 0 "[ . 1 . 2]" 1
1490 1 49 LYS QD 1 50 TYR QD 4.550 . 4.550 3.209 1.966 4.532 . 0 0 "[ . 1 . 2]" 1
1491 1 52 ALA HA 1 53 GLN QG 4.560 . 4.560 3.757 3.444 4.287 . 0 0 "[ . 1 . 2]" 1
1492 1 52 ALA MB 1 53 GLN QB 4.790 . 4.790 3.878 3.676 4.228 . 0 0 "[ . 1 . 2]" 1
1493 1 52 ALA MB 1 53 GLN QG 5.340 . 5.340 3.721 3.220 4.454 . 0 0 "[ . 1 . 2]" 1
1494 1 53 GLN H 1 53 GLN QB 3.370 . 3.370 2.549 2.402 2.788 . 0 0 "[ . 1 . 2]" 1
1495 1 53 GLN H 1 53 GLN QG 3.480 . 3.480 2.289 1.989 3.149 . 0 0 "[ . 1 . 2]" 1
1496 1 53 GLN QB 1 54 GLY H 3.780 . 3.780 2.490 1.981 3.505 . 0 0 "[ . 1 . 2]" 1
1497 1 53 GLN QB 1 57 ALA MB 3.990 . 3.990 2.078 1.907 3.574 . 0 0 "[ . 1 . 2]" 1
1498 1 53 GLN QG 1 61 ILE MD 4.830 . 4.830 4.016 3.467 4.830 0.000 5 0 "[ . 1 . 2]" 1
1499 1 53 GLN QE 1 61 ILE MD 5.000 . 5.000 4.145 2.274 5.000 . 17 0 "[ . 1 . 2]" 1
1500 1 54 GLY QA 1 55 ASP H 3.070 . 3.070 2.263 2.153 2.282 . 0 0 "[ . 1 . 2]" 1
1501 1 54 GLY QA 1 55 ASP HA 4.580 . 4.580 3.956 3.932 3.977 . 0 0 "[ . 1 . 2]" 1
1502 1 54 GLY QA 1 55 ASP QB 5.340 . 5.340 3.977 3.699 4.261 . 0 0 "[ . 1 . 2]" 1
1503 1 54 GLY QA 1 57 ALA H 4.340 . 4.340 3.418 3.260 4.166 . 0 0 "[ . 1 . 2]" 1
1504 1 54 GLY QA 1 57 ALA MB 4.440 . 4.440 3.124 2.907 3.770 . 0 0 "[ . 1 . 2]" 1
1505 1 57 ALA HA 1 60 SER QB 3.910 . 3.910 2.710 2.416 2.876 . 0 0 "[ . 1 . 2]" 1
1506 1 58 LYS HB3 1 59 GLN QB 5.340 . 5.340 5.133 4.812 5.340 0.000 20 0 "[ . 1 . 2]" 1
1507 1 59 GLN H 1 59 GLN QB 3.010 . 3.010 2.330 2.058 2.660 . 0 0 "[ . 1 . 2]" 1
1508 1 59 GLN H 1 59 GLN QG 3.600 . 3.600 2.551 1.958 3.602 0.002 5 0 "[ . 1 . 2]" 1
1509 1 59 GLN HA 1 59 GLN QG 3.700 . 3.700 2.671 2.049 3.392 . 0 0 "[ . 1 . 2]" 1
1510 1 59 GLN HA 1 62 ARG QG 3.890 . 3.890 3.355 2.447 3.849 . 0 0 "[ . 1 . 2]" 1
1511 1 59 GLN HA 1 62 ARG QD 4.310 . 4.310 2.930 1.924 4.311 0.001 15 0 "[ . 1 . 2]" 1
1512 1 59 GLN QB 1 60 SER H 3.740 . 3.740 3.070 2.731 3.490 . 0 0 "[ . 1 . 2]" 1
1513 1 59 GLN QB 1 62 ARG QB 5.200 . 5.200 4.057 3.777 4.524 . 0 0 "[ . 1 . 2]" 1
1514 1 60 SER H 1 60 SER QB 3.020 . 3.020 2.183 2.127 2.270 . 0 0 "[ . 1 . 2]" 1
1515 1 60 SER QB 1 61 ILE H 4.000 . 4.000 2.576 2.408 2.782 . 0 0 "[ . 1 . 2]" 1
1516 1 61 ILE MG 1 65 CYS QB 4.730 . 4.730 3.137 2.587 3.531 . 0 0 "[ . 1 . 2]" 1
1517 1 62 ARG H 1 62 ARG QD 4.740 . 4.740 3.992 3.254 4.597 . 0 0 "[ . 1 . 2]" 1
1518 1 62 ARG HA 1 62 ARG QG 3.540 . 3.540 2.273 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
1519 1 62 ARG HA 1 62 ARG QD 4.330 . 4.330 3.897 3.017 4.094 . 0 0 "[ . 1 . 2]" 1
1520 1 62 ARG HA 1 65 CYS QB 3.750 . 3.750 2.738 2.564 3.755 0.005 15 0 "[ . 1 . 2]" 1
1521 1 62 ARG QB 1 62 ARG QD 3.380 . 3.380 2.146 1.998 2.387 . 0 0 "[ . 1 . 2]" 1
1522 1 62 ARG QG 1 63 ALA H 4.900 . 4.900 4.270 4.005 4.385 . 0 0 "[ . 1 . 2]" 1
1523 1 63 ALA MB 1 67 GLU QB 5.160 . 5.160 4.175 3.891 4.336 . 0 0 "[ . 1 . 2]" 1
1524 1 64 LYS HA 1 64 LYS QD 4.190 . 4.190 3.896 3.563 4.116 . 0 0 "[ . 1 . 2]" 1
1525 1 64 LYS HA 1 67 GLU QB 3.480 . 3.480 2.464 2.393 2.565 . 0 0 "[ . 1 . 2]" 1
1526 1 64 LYS HB2 1 65 CYS QB 5.340 . 5.340 4.393 4.109 4.522 . 0 0 "[ . 1 . 2]" 1
1527 1 65 CYS H 1 65 CYS QB 3.350 . 3.350 2.195 2.103 2.408 . 0 0 "[ . 1 . 2]" 1
1528 1 65 CYS HA 1 69 LEU QD 5.300 . 5.300 3.892 3.661 4.903 . 0 0 "[ . 1 . 2]" 1
1529 1 65 CYS QB 1 66 THR H 3.640 . 3.640 2.880 2.784 3.511 . 0 0 "[ . 1 . 2]" 1
1530 1 65 CYS QB 1 66 THR HA 5.340 . 5.340 3.989 3.912 4.450 . 0 0 "[ . 1 . 2]" 1
1531 1 65 CYS QB 1 66 THR MG 5.290 . 5.290 4.119 3.985 4.838 . 0 0 "[ . 1 . 2]" 1
1532 1 65 CYS QB 1 69 LEU QD 5.110 . 5.110 2.999 2.598 4.592 . 0 0 "[ . 1 . 2]" 1
1533 1 66 THR H 1 67 GLU QB 5.340 . 5.340 4.137 4.084 4.169 . 0 0 "[ . 1 . 2]" 1
1534 1 66 THR H 1 69 LEU QD 5.320 . 5.320 4.340 4.141 5.321 0.001 14 0 "[ . 1 . 2]" 1
1535 1 66 THR HA 1 69 LEU QB 3.630 . 3.630 2.442 2.152 2.718 . 0 0 "[ . 1 . 2]" 1
1536 1 66 THR HA 1 69 LEU QD 4.010 . 4.010 2.799 2.225 3.340 . 0 0 "[ . 1 . 2]" 1
1537 1 66 THR MG 1 67 GLU QB 4.120 . 4.120 2.995 2.930 3.115 . 0 0 "[ . 1 . 2]" 1
1538 1 67 GLU H 1 67 GLU QB 3.010 . 3.010 2.256 2.249 2.262 . 0 0 "[ . 1 . 2]" 1
1539 1 67 GLU H 1 67 GLU QG 4.090 . 4.090 3.984 3.968 4.020 . 0 0 "[ . 1 . 2]" 1
1540 1 67 GLU HA 1 67 GLU QG 3.420 . 3.420 2.540 2.376 2.951 . 0 0 "[ . 1 . 2]" 1
1541 1 67 GLU HA 1 70 ASP QB 3.520 . 3.520 3.121 2.838 3.428 . 0 0 "[ . 1 . 2]" 1
1542 1 67 GLU QB 1 68 TYR H 3.290 . 3.290 2.422 2.363 2.436 . 0 0 "[ . 1 . 2]" 1
1543 1 67 GLU QB 1 68 TYR QD 4.150 . 4.150 3.946 3.765 4.101 . 0 0 "[ . 1 . 2]" 1
1544 1 67 GLU QB 1 70 ASP H 5.340 . 5.340 5.118 4.963 5.261 . 0 0 "[ . 1 . 2]" 1
1545 1 67 GLU QB 1 70 ASP QB 5.180 . 5.180 4.803 4.545 5.073 . 0 0 "[ . 1 . 2]" 1
1546 1 67 GLU QG 1 68 TYR H 3.480 . 3.480 3.479 3.460 3.481 0.001 8 0 "[ . 1 . 2]" 1
1547 1 67 GLU QG 1 68 TYR QD 4.030 . 4.030 3.546 3.203 3.807 . 0 0 "[ . 1 . 2]" 1
1548 1 67 GLU QG 1 68 TYR QE 4.390 . 4.390 3.976 3.580 4.277 . 0 0 "[ . 1 . 2]" 1
1549 1 69 LEU H 1 69 LEU QB 3.010 . 3.010 2.203 2.179 2.225 . 0 0 "[ . 1 . 2]" 1
1550 1 69 LEU H 1 69 LEU QD 3.850 . 3.850 3.350 3.277 3.637 . 0 0 "[ . 1 . 2]" 1
1551 1 69 LEU H 1 70 ASP QB 5.050 . 5.050 4.439 4.337 4.516 . 0 0 "[ . 1 . 2]" 1
1552 1 69 LEU HA 1 69 LEU QD 3.120 . 3.120 2.060 1.963 2.550 . 0 0 "[ . 1 . 2]" 1
1553 1 69 LEU QB 1 69 LEU QD 2.760 . 2.760 1.912 1.848 1.943 . 0 0 "[ . 1 . 2]" 1
1554 1 69 LEU QB 1 72 ALA MB 5.340 . 5.340 4.487 4.283 4.648 . 0 0 "[ . 1 . 2]" 1
1555 1 69 LEU QD 1 70 ASP H 4.660 . 4.660 4.122 3.846 4.243 . 0 0 "[ . 1 . 2]" 1
1556 1 69 LEU QD 1 72 ALA H 4.970 . 4.970 4.889 4.699 4.970 . 14 0 "[ . 1 . 2]" 1
1557 1 69 LEU QD 1 72 ALA MB 3.630 . 3.630 3.416 3.124 3.631 0.001 14 0 "[ . 1 . 2]" 1
1558 1 69 LEU QD 1 73 GLU H 5.440 . 5.440 4.375 4.152 4.568 . 0 0 "[ . 1 . 2]" 1
1559 1 70 ASP H 1 70 ASP QB 3.010 . 3.010 2.195 2.134 2.261 . 0 0 "[ . 1 . 2]" 1
1560 1 70 ASP HA 1 73 GLU QB 3.640 . 3.640 2.561 2.253 2.767 . 0 0 "[ . 1 . 2]" 1
1561 1 71 ARG HA 1 74 LYS QB 4.410 . 4.410 3.184 2.784 3.484 . 0 0 "[ . 1 . 2]" 1
1562 1 71 ARG HE 1 75 LEU QD 4.110 . 4.110 3.150 2.299 3.619 . 0 0 "[ . 1 . 2]" 1
1563 1 72 ALA H 1 75 LEU QD 5.350 . 5.350 4.169 3.966 4.407 . 0 0 "[ . 1 . 2]" 1
1564 1 72 ALA HA 1 75 LEU QB 3.620 . 3.620 2.317 2.137 2.568 . 0 0 "[ . 1 . 2]" 1
1565 1 72 ALA HA 1 75 LEU QD 3.880 . 3.880 2.868 2.452 3.025 . 0 0 "[ . 1 . 2]" 1
1566 1 72 ALA MB 1 75 LEU QB 4.430 . 4.430 3.738 3.618 3.893 . 0 0 "[ . 1 . 2]" 1
1567 1 73 GLU H 1 73 GLU QB 3.240 . 3.240 2.210 2.172 2.322 . 0 0 "[ . 1 . 2]" 1
1568 1 73 GLU H 1 73 GLU QG 3.580 . 3.580 2.778 2.440 2.911 . 0 0 "[ . 1 . 2]" 1
1569 1 73 GLU H 1 74 LYS QB 5.340 . 5.340 4.525 4.355 4.671 . 0 0 "[ . 1 . 2]" 1
1570 1 73 GLU QB 1 74 LYS H 3.490 . 3.490 2.618 2.511 2.781 . 0 0 "[ . 1 . 2]" 1
1571 1 73 GLU QB 1 74 LYS QB 4.670 . 4.670 4.029 3.700 4.366 . 0 0 "[ . 1 . 2]" 1
1572 1 73 GLU QG 1 74 LYS H 4.660 . 4.660 4.295 4.210 4.373 . 0 0 "[ . 1 . 2]" 1
1573 1 74 LYS H 1 74 LYS QB 3.100 . 3.100 2.204 2.124 2.351 . 0 0 "[ . 1 . 2]" 1
1574 1 74 LYS QB 1 75 LEU H 3.640 . 3.640 2.667 2.501 2.742 . 0 0 "[ . 1 . 2]" 1
1575 1 75 LEU H 1 75 LEU QB 3.280 . 3.280 2.079 2.034 2.189 . 0 0 "[ . 1 . 2]" 1
1576 1 75 LEU H 1 75 LEU QD 3.910 . 3.910 2.573 2.132 2.887 . 0 0 "[ . 1 . 2]" 1
1577 1 75 LEU HA 1 75 LEU QD 3.350 . 3.350 2.572 2.230 2.779 . 0 0 "[ . 1 . 2]" 1
1578 1 75 LEU QB 1 76 LYS H 3.570 . 3.570 2.488 2.454 2.500 . 0 0 "[ . 1 . 2]" 1
1579 1 75 LEU QB 1 76 LYS HA 4.770 . 4.770 3.735 3.716 3.766 . 0 0 "[ . 1 . 2]" 1
1580 1 75 LEU QB 1 79 LEU MD1 5.240 . 5.240 2.609 1.953 3.137 . 0 0 "[ . 1 . 2]" 1
1581 1 75 LEU QD 1 78 TYR QD 4.470 . 4.470 4.150 3.822 4.330 . 0 0 "[ . 1 . 2]" 1
1582 1 75 LEU QD 1 78 TYR QE 3.660 . 3.660 3.012 2.817 3.171 . 0 0 "[ . 1 . 2]" 1
1583 1 76 LYS H 1 76 LYS QB 3.500 . 3.500 2.503 2.465 2.540 . 0 0 "[ . 1 . 2]" 1
1584 1 76 LYS QB 1 77 GLU H 3.820 . 3.820 3.565 3.559 3.570 . 0 0 "[ . 1 . 2]" 1
1585 1 77 GLU H 1 77 GLU QG 4.080 . 4.080 3.678 2.783 4.053 . 0 0 "[ . 1 . 2]" 1
1586 1 77 GLU QG 1 78 TYR H 4.420 . 4.420 3.932 3.412 4.283 . 0 0 "[ . 1 . 2]" 1
1587 1 78 TYR HA 1 81 ASN QB 4.040 . 4.040 2.342 2.040 2.698 . 0 0 "[ . 1 . 2]" 1
1588 1 80 LYS H 1 80 LYS QB 2.970 . 2.970 2.189 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
1589 1 80 LYS H 1 80 LYS QG 5.000 . 5.000 3.526 3.018 4.071 . 0 0 "[ . 1 . 2]" 1
1590 1 80 LYS QB 1 81 ASN H 3.550 . 3.550 2.775 2.642 2.860 . 0 0 "[ . 1 . 2]" 1
1591 1 80 LYS QG 1 81 ASN H 5.340 . 5.340 4.352 4.014 4.624 . 0 0 "[ . 1 . 2]" 1
1592 1 81 ASN H 1 81 ASN QB 3.350 . 3.350 2.188 2.102 2.269 . 0 0 "[ . 1 . 2]" 1
1593 1 81 ASN H 1 81 ASN QD 4.560 . 4.560 4.124 3.333 4.549 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 2.594
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 10 ASN 0.001 0.001 14 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.001 0.000 19 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.002 0.001 14 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.001 0.000 19 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 11 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 6 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 20 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 6 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 20 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 32 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.001 0.001 8 0 "[ . 1 . 2]"
1 36 LEU 0.001 0.001 12 0 "[ . 1 . 2]"
1 37 TYR 0.001 0.000 8 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.001 0.000 8 0 "[ . 1 . 2]"
1 42 GLN 0.001 0.001 7 0 "[ . 1 . 2]"
1 43 TYR 0.003 0.001 11 0 "[ . 1 . 2]"
1 44 PHE 0.004 0.002 16 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 HIS 0.001 0.001 7 0 "[ . 1 . 2]"
1 47 VAL 0.003 0.001 11 0 "[ . 1 . 2]"
1 48 VAL 0.004 0.002 16 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.002 0.001 12 0 "[ . 1 . 2]"
1 56 LYS 0.008 0.001 15 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.004 0.001 12 0 "[ . 1 . 2]"
1 60 SER 0.020 0.001 17 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.017 0.004 15 0 "[ . 1 . 2]"
1 63 ALA 0.005 0.001 11 0 "[ . 1 . 2]"
1 64 LYS 0.013 0.001 17 0 "[ . 1 . 2]"
1 65 CYS 0.006 0.002 8 0 "[ . 1 . 2]"
1 66 THR 0.017 0.004 15 0 "[ . 1 . 2]"
1 67 GLU 0.005 0.001 11 0 "[ . 1 . 2]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.006 0.002 8 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 5 0 "[ . 1 . 2]"
1 71 ARG 0.002 0.001 15 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.002 0.002 13 0 "[ . 1 . 2]"
1 74 LYS 0.059 0.005 12 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.005 0.003 4 0 "[ . 1 . 2]"
1 78 TYR 0.058 0.005 12 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASN 0.003 0.003 4 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 10 ASN O 1 14 ALA N 3.400 . 3.400 3.166 2.914 3.301 . 0 0 "[ . 1 . 2]" 2
2 1 10 ASN O 1 14 ALA H 2.400 . 2.400 2.329 2.114 2.401 0.001 14 0 "[ . 1 . 2]" 2
3 1 11 LEU O 1 15 ILE N 3.400 . 3.400 3.112 2.999 3.192 . 0 0 "[ . 1 . 2]" 2
4 1 11 LEU O 1 15 ILE H 2.400 . 2.400 2.203 2.052 2.309 . 0 0 "[ . 1 . 2]" 2
5 1 12 GLN O 1 16 ASP N 3.400 . 3.400 3.136 2.919 3.282 . 0 0 "[ . 1 . 2]" 2
6 1 12 GLN O 1 16 ASP H 2.400 . 2.400 2.265 1.985 2.400 0.000 19 0 "[ . 1 . 2]" 2
7 1 13 LYS O 1 17 LEU N 3.400 . 3.400 3.025 2.814 3.295 . 0 0 "[ . 1 . 2]" 2
8 1 13 LYS O 1 17 LEU H 2.400 . 2.400 2.075 1.839 2.383 . 0 0 "[ . 1 . 2]" 2
9 1 14 ALA O 1 18 ALA N 3.400 . 3.400 3.175 2.994 3.302 . 0 0 "[ . 1 . 2]" 2
10 1 14 ALA O 1 18 ALA H 2.400 . 2.400 2.305 2.117 2.400 0.000 11 0 "[ . 1 . 2]" 2
11 1 15 ILE O 1 19 SER N 3.400 . 3.400 3.024 2.847 3.249 . 0 0 "[ . 1 . 2]" 2
12 1 15 ILE O 1 19 SER H 2.400 . 2.400 2.102 1.883 2.336 . 0 0 "[ . 1 . 2]" 2
13 1 16 ASP O 1 20 LYS N 3.400 . 3.400 3.176 2.997 3.345 . 0 0 "[ . 1 . 2]" 2
14 1 16 ASP O 1 20 LYS H 2.400 . 2.400 2.240 2.043 2.400 . 0 0 "[ . 1 . 2]" 2
15 1 17 LEU O 1 21 ALA N 3.400 . 3.400 2.760 2.618 2.998 . 0 0 "[ . 1 . 2]" 2
16 1 17 LEU O 1 21 ALA H 2.400 . 2.400 1.860 1.689 2.133 . 0 0 "[ . 1 . 2]" 2
17 1 18 ALA O 1 22 ALA N 3.400 . 3.400 3.010 2.762 3.302 . 0 0 "[ . 1 . 2]" 2
18 1 18 ALA O 1 22 ALA H 2.400 . 2.400 2.059 1.802 2.400 . 0 0 "[ . 1 . 2]" 2
19 1 19 SER O 1 23 GLN N 3.400 . 3.400 3.207 3.016 3.309 . 0 0 "[ . 1 . 2]" 2
20 1 19 SER O 1 23 GLN H 2.400 . 2.400 2.355 2.171 2.400 0.000 6 0 "[ . 1 . 2]" 2
21 1 20 LYS O 1 24 GLU N 3.400 . 3.400 2.817 2.606 3.094 . 0 0 "[ . 1 . 2]" 2
22 1 20 LYS O 1 24 GLU H 2.400 . 2.400 1.982 1.767 2.304 . 0 0 "[ . 1 . 2]" 2
23 1 21 ALA O 1 25 ASP N 3.400 . 3.400 3.022 2.890 3.151 . 0 0 "[ . 1 . 2]" 2
24 1 21 ALA O 1 25 ASP H 2.400 . 2.400 2.050 1.919 2.181 . 0 0 "[ . 1 . 2]" 2
25 1 22 ALA O 1 26 LYS N 3.400 . 3.400 3.251 3.076 3.356 . 0 0 "[ . 1 . 2]" 2
26 1 22 ALA O 1 26 LYS H 2.400 . 2.400 2.337 2.131 2.400 . 20 0 "[ . 1 . 2]" 2
27 1 23 GLN O 1 27 ALA N 3.400 . 3.400 2.868 2.693 3.066 . 0 0 "[ . 1 . 2]" 2
28 1 23 GLN O 1 27 ALA H 2.400 . 2.400 2.082 1.860 2.274 . 0 0 "[ . 1 . 2]" 2
29 1 30 TYR O 1 34 LEU N 3.400 . 3.400 2.806 2.664 3.028 . 0 0 "[ . 1 . 2]" 2
30 1 30 TYR O 1 34 LEU H 2.400 . 2.400 1.948 1.775 2.166 . 0 0 "[ . 1 . 2]" 2
31 1 31 GLU O 1 35 GLN N 3.400 . 3.400 3.329 3.264 3.377 . 0 0 "[ . 1 . 2]" 2
32 1 31 GLU O 1 35 GLN H 2.400 . 2.400 2.371 2.309 2.401 0.001 8 0 "[ . 1 . 2]" 2
33 1 32 GLU O 1 36 LEU N 3.400 . 3.400 3.149 2.919 3.264 . 0 0 "[ . 1 . 2]" 2
34 1 32 GLU O 1 36 LEU H 2.400 . 2.400 2.294 2.067 2.401 0.001 12 0 "[ . 1 . 2]" 2
35 1 33 ALA O 1 37 TYR N 3.400 . 3.400 2.760 2.651 2.827 . 0 0 "[ . 1 . 2]" 2
36 1 33 ALA O 1 37 TYR H 2.400 . 2.400 1.860 1.740 1.930 . 0 0 "[ . 1 . 2]" 2
37 1 34 LEU O 1 38 GLN N 3.400 . 3.400 3.193 3.037 3.295 . 0 0 "[ . 1 . 2]" 2
38 1 34 LEU O 1 38 GLN H 2.400 . 2.400 2.257 2.084 2.390 . 0 0 "[ . 1 . 2]" 2
39 1 35 GLN O 1 39 HIS N 3.400 . 3.400 3.281 3.180 3.334 . 0 0 "[ . 1 . 2]" 2
40 1 35 GLN O 1 39 HIS H 2.400 . 2.400 2.380 2.276 2.400 . 0 0 "[ . 1 . 2]" 2
41 1 36 LEU O 1 40 ALA N 3.400 . 3.400 3.027 2.940 3.084 . 0 0 "[ . 1 . 2]" 2
42 1 36 LEU O 1 40 ALA H 2.400 . 2.400 2.085 2.004 2.176 . 0 0 "[ . 1 . 2]" 2
43 1 37 TYR O 1 41 VAL N 3.400 . 3.400 3.271 3.137 3.350 . 0 0 "[ . 1 . 2]" 2
44 1 37 TYR O 1 41 VAL H 2.400 . 2.400 2.341 2.197 2.400 0.000 8 0 "[ . 1 . 2]" 2
45 1 38 GLN O 1 42 GLN N 3.400 . 3.400 2.994 2.899 3.138 . 0 0 "[ . 1 . 2]" 2
46 1 38 GLN O 1 42 GLN H 2.400 . 2.400 2.116 2.008 2.242 . 0 0 "[ . 1 . 2]" 2
47 1 39 HIS O 1 43 TYR N 3.400 . 3.400 3.057 2.938 3.141 . 0 0 "[ . 1 . 2]" 2
48 1 39 HIS O 1 43 TYR H 2.400 . 2.400 2.102 1.998 2.194 . 0 0 "[ . 1 . 2]" 2
49 1 40 ALA O 1 44 PHE N 3.400 . 3.400 2.812 2.668 2.960 . 0 0 "[ . 1 . 2]" 2
50 1 40 ALA O 1 44 PHE H 2.400 . 2.400 1.919 1.754 2.056 . 0 0 "[ . 1 . 2]" 2
51 1 41 VAL O 1 45 LEU N 3.400 . 3.400 2.900 2.662 3.042 . 0 0 "[ . 1 . 2]" 2
52 1 41 VAL O 1 45 LEU H 2.400 . 2.400 1.941 1.689 2.108 . 0 0 "[ . 1 . 2]" 2
53 1 42 GLN O 1 46 HIS N 3.400 . 3.400 3.146 3.036 3.241 . 0 0 "[ . 1 . 2]" 2
54 1 42 GLN O 1 46 HIS H 2.400 . 2.400 2.332 2.221 2.401 0.001 7 0 "[ . 1 . 2]" 2
55 1 43 TYR O 1 47 VAL N 3.400 . 3.400 3.212 3.072 3.334 . 0 0 "[ . 1 . 2]" 2
56 1 43 TYR O 1 47 VAL H 2.400 . 2.400 2.358 2.216 2.401 0.001 11 0 "[ . 1 . 2]" 2
57 1 44 PHE O 1 48 VAL N 3.400 . 3.400 3.167 2.827 3.368 . 0 0 "[ . 1 . 2]" 2
58 1 44 PHE O 1 48 VAL H 2.400 . 2.400 2.214 1.856 2.402 0.002 16 0 "[ . 1 . 2]" 2
59 1 45 LEU O 1 49 LYS N 3.400 . 3.400 2.732 2.595 2.948 . 0 0 "[ . 1 . 2]" 2
60 1 45 LEU O 1 49 LYS H 2.400 . 2.400 1.837 1.687 2.090 . 0 0 "[ . 1 . 2]" 2
61 1 46 HIS O 1 50 TYR N 3.400 . 3.400 2.991 2.644 3.214 . 0 0 "[ . 1 . 2]" 2
62 1 46 HIS O 1 50 TYR H 2.400 . 2.400 2.130 1.702 2.362 . 0 0 "[ . 1 . 2]" 2
63 1 55 ASP O 1 59 GLN N 3.400 . 3.400 3.233 3.000 3.353 . 0 0 "[ . 1 . 2]" 2
64 1 55 ASP O 1 59 GLN H 2.400 . 2.400 2.274 2.021 2.401 0.001 12 0 "[ . 1 . 2]" 2
65 1 56 LYS O 1 60 SER N 3.400 . 3.400 3.206 3.117 3.254 . 0 0 "[ . 1 . 2]" 2
66 1 56 LYS O 1 60 SER H 2.400 . 2.400 2.387 2.245 2.401 0.001 15 0 "[ . 1 . 2]" 2
67 1 57 ALA O 1 61 ILE N 3.400 . 3.400 3.142 2.962 3.259 . 0 0 "[ . 1 . 2]" 2
68 1 57 ALA O 1 61 ILE H 2.400 . 2.400 2.231 2.014 2.394 . 0 0 "[ . 1 . 2]" 2
69 1 58 LYS O 1 62 ARG N 3.400 . 3.400 2.907 2.752 3.217 . 0 0 "[ . 1 . 2]" 2
70 1 58 LYS O 1 62 ARG H 2.400 . 2.400 2.005 1.847 2.336 . 0 0 "[ . 1 . 2]" 2
71 1 59 GLN O 1 63 ALA N 3.400 . 3.400 3.265 3.165 3.366 . 0 0 "[ . 1 . 2]" 2
72 1 59 GLN O 1 63 ALA H 2.400 . 2.400 2.332 2.211 2.401 0.001 12 0 "[ . 1 . 2]" 2
73 1 60 SER O 1 64 LYS N 3.400 . 3.400 3.258 3.201 3.291 . 0 0 "[ . 1 . 2]" 2
74 1 60 SER O 1 64 LYS H 2.400 . 2.400 2.401 2.400 2.401 0.001 17 0 "[ . 1 . 2]" 2
75 1 61 ILE O 1 65 CYS N 3.400 . 3.400 2.632 2.593 2.763 . 0 0 "[ . 1 . 2]" 2
76 1 61 ILE O 1 65 CYS H 2.400 . 2.400 1.695 1.678 1.820 . 0 0 "[ . 1 . 2]" 2
77 1 62 ARG O 1 66 THR N 3.400 . 3.400 3.228 3.214 3.261 . 0 0 "[ . 1 . 2]" 2
78 1 62 ARG O 1 66 THR H 2.400 . 2.400 2.401 2.400 2.404 0.004 15 0 "[ . 1 . 2]" 2
79 1 63 ALA O 1 67 GLU N 3.400 . 3.400 3.110 2.920 3.213 . 0 0 "[ . 1 . 2]" 2
80 1 63 ALA O 1 67 GLU H 2.400 . 2.400 2.313 2.133 2.401 0.001 11 0 "[ . 1 . 2]" 2
81 1 64 LYS O 1 68 TYR N 3.400 . 3.400 2.930 2.810 3.173 . 0 0 "[ . 1 . 2]" 2
82 1 64 LYS O 1 68 TYR H 2.400 . 2.400 1.954 1.831 2.211 . 0 0 "[ . 1 . 2]" 2
83 1 65 CYS O 1 69 LEU N 3.400 . 3.400 3.237 3.130 3.295 . 0 0 "[ . 1 . 2]" 2
84 1 65 CYS O 1 69 LEU H 2.400 . 2.400 2.382 2.275 2.402 0.002 8 0 "[ . 1 . 2]" 2
85 1 66 THR O 1 70 ASP N 3.400 . 3.400 3.108 2.973 3.239 . 0 0 "[ . 1 . 2]" 2
86 1 66 THR O 1 70 ASP H 2.400 . 2.400 2.243 2.072 2.399 . 0 0 "[ . 1 . 2]" 2
87 1 67 GLU O 1 71 ARG N 3.400 . 3.400 3.264 3.049 3.354 . 0 0 "[ . 1 . 2]" 2
88 1 67 GLU O 1 71 ARG H 2.400 . 2.400 2.339 2.109 2.401 0.001 15 0 "[ . 1 . 2]" 2
89 1 68 TYR O 1 72 ALA N 3.400 . 3.400 2.797 2.642 3.015 . 0 0 "[ . 1 . 2]" 2
90 1 68 TYR O 1 72 ALA H 2.400 . 2.400 1.851 1.688 2.158 . 0 0 "[ . 1 . 2]" 2
91 1 69 LEU O 1 73 GLU N 3.400 . 3.400 2.735 2.595 2.921 . 0 0 "[ . 1 . 2]" 2
92 1 69 LEU O 1 73 GLU H 2.400 . 2.400 1.874 1.699 2.069 . 0 0 "[ . 1 . 2]" 2
93 1 70 ASP O 1 74 LYS N 3.400 . 3.400 3.242 3.042 3.347 . 0 0 "[ . 1 . 2]" 2
94 1 70 ASP O 1 74 LYS H 2.400 . 2.400 2.333 2.124 2.400 . 5 0 "[ . 1 . 2]" 2
95 1 71 ARG O 1 75 LEU N 3.400 . 3.400 3.036 2.725 3.282 . 0 0 "[ . 1 . 2]" 2
96 1 71 ARG O 1 75 LEU H 2.400 . 2.400 2.131 1.790 2.398 . 0 0 "[ . 1 . 2]" 2
97 1 72 ALA O 1 76 LYS N 3.400 . 3.400 2.983 2.925 3.166 . 0 0 "[ . 1 . 2]" 2
98 1 72 ALA O 1 76 LYS H 2.400 . 2.400 2.007 1.945 2.191 . 0 0 "[ . 1 . 2]" 2
99 1 73 GLU O 1 77 GLU N 3.400 . 3.400 3.139 3.058 3.184 . 0 0 "[ . 1 . 2]" 2
100 1 73 GLU O 1 77 GLU H 2.400 . 2.400 2.377 2.273 2.402 0.002 13 0 "[ . 1 . 2]" 2
101 1 74 LYS O 1 78 TYR N 3.400 . 3.400 3.344 3.331 3.352 . 0 0 "[ . 1 . 2]" 2
102 1 74 LYS O 1 78 TYR H 2.400 . 2.400 2.403 2.395 2.405 0.005 12 0 "[ . 1 . 2]" 2
103 1 75 LEU O 1 79 LEU N 3.400 . 3.400 3.053 2.736 3.303 . 0 0 "[ . 1 . 2]" 2
104 1 75 LEU O 1 79 LEU H 2.400 . 2.400 2.127 1.806 2.395 . 0 0 "[ . 1 . 2]" 2
105 1 76 LYS O 1 80 LYS N 3.400 . 3.400 2.748 2.604 2.842 . 0 0 "[ . 1 . 2]" 2
106 1 76 LYS O 1 80 LYS H 2.400 . 2.400 1.889 1.749 2.043 . 0 0 "[ . 1 . 2]" 2
107 1 77 GLU O 1 81 ASN N 3.400 . 3.400 3.076 2.888 3.329 . 0 0 "[ . 1 . 2]" 2
108 1 77 GLU O 1 81 ASN H 2.400 . 2.400 2.225 2.028 2.403 0.003 4 0 "[ . 1 . 2]" 2
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