NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404679 |
1x49   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x49
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 1855
_Distance_constraint_stats_list.Viol_count 519
_Distance_constraint_stats_list.Viol_total 59.302
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0057
_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 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.005 0.004 3 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.004 0.004 3 0 "[ . 1 . 2]"
1 15 PHE 0.002 0.001 11 0 "[ . 1 . 2]"
1 16 TYR 0.054 0.027 12 0 "[ . 1 . 2]"
1 17 MET 0.018 0.004 15 0 "[ . 1 . 2]"
1 18 ASP 0.018 0.005 14 0 "[ . 1 . 2]"
1 19 LYS 0.054 0.027 12 0 "[ . 1 . 2]"
1 20 LEU 0.067 0.007 7 0 "[ . 1 . 2]"
1 21 ASN 0.159 0.014 14 0 "[ . 1 . 2]"
1 22 LYS 0.084 0.021 2 0 "[ . 1 . 2]"
1 23 TYR 0.049 0.007 7 0 "[ . 1 . 2]"
1 24 ARG 0.191 0.014 14 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 MET 0.125 0.044 18 0 "[ . 1 . 2]"
1 27 HIS 0.005 0.003 14 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.056 0.008 6 0 "[ . 1 . 2]"
1 30 ALA 0.017 0.006 13 0 "[ . 1 . 2]"
1 31 ILE 0.059 0.007 13 0 "[ . 1 . 2]"
1 32 THR 0.093 0.018 10 0 "[ . 1 . 2]"
1 33 TYR 0.017 0.004 14 0 "[ . 1 . 2]"
1 34 LYS 0.035 0.009 10 0 "[ . 1 . 2]"
1 35 GLU 0.029 0.009 10 0 "[ . 1 . 2]"
1 36 LEU 0.044 0.008 10 0 "[ . 1 . 2]"
1 37 SER 0.007 0.003 14 0 "[ . 1 . 2]"
1 38 THR 0.004 0.003 14 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 7 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.004 0.003 14 0 "[ . 1 . 2]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.044 0.009 5 0 "[ . 1 . 2]"
1 45 ARG 0.048 0.009 5 0 "[ . 1 . 2]"
1 46 ARG 0.012 0.004 14 0 "[ . 1 . 2]"
1 47 PHE 0.021 0.011 3 0 "[ . 1 . 2]"
1 48 THR 0.016 0.003 13 0 "[ . 1 . 2]"
1 49 PHE 0.050 0.009 3 0 "[ . 1 . 2]"
1 50 GLN 0.047 0.008 10 0 "[ . 1 . 2]"
1 51 VAL 0.037 0.010 7 0 "[ . 1 . 2]"
1 52 LEU 0.199 0.018 10 0 "[ . 1 . 2]"
1 53 ILE 0.010 0.003 14 0 "[ . 1 . 2]"
1 54 ASP 0.003 0.002 20 0 "[ . 1 . 2]"
1 55 GLU 0.021 0.005 7 0 "[ . 1 . 2]"
1 56 LYS 0.041 0.007 10 0 "[ . 1 . 2]"
1 57 GLU 0.106 0.011 7 0 "[ . 1 . 2]"
1 58 PHE 0.040 0.007 10 0 "[ . 1 . 2]"
1 59 PRO 0.078 0.010 7 0 "[ . 1 . 2]"
1 60 GLU 0.031 0.012 10 0 "[ . 1 . 2]"
1 61 ALA 0.020 0.005 7 0 "[ . 1 . 2]"
1 62 LYS 0.024 0.005 7 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.021 0.017 8 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.204 0.094 18 0 "[ . 1 . 2]"
1 67 GLN 0.009 0.006 7 0 "[ . 1 . 2]"
1 68 GLU 0.638 0.094 20 0 "[ . 1 . 2]"
1 69 ALA 0.006 0.002 14 0 "[ . 1 . 2]"
1 70 ARG 0.020 0.006 7 0 "[ . 1 . 2]"
1 71 ASN 0.009 0.003 13 0 "[ . 1 . 2]"
1 72 ALA 0.009 0.007 13 0 "[ . 1 . 2]"
1 73 ALA 0.004 0.003 7 0 "[ . 1 . 2]"
1 74 ALA 0.044 0.008 3 0 "[ . 1 . 2]"
1 75 LYS 0.055 0.008 3 0 "[ . 1 . 2]"
1 76 LEU 0.097 0.010 7 0 "[ . 1 . 2]"
1 77 ALA 0.053 0.010 7 0 "[ . 1 . 2]"
1 78 VAL 0.020 0.005 14 0 "[ . 1 . 2]"
1 79 ASP 0.012 0.005 13 0 "[ . 1 . 2]"
1 80 ILE 0.017 0.006 13 0 "[ . 1 . 2]"
1 81 LEU 0.008 0.004 13 0 "[ . 1 . 2]"
1 82 ASP 0.024 0.013 13 0 "[ . 1 . 2]"
1 83 ASN 0.237 0.037 14 0 "[ . 1 . 2]"
1 84 GLU 0.750 0.068 8 0 "[ . 1 . 2]"
1 85 ASN 0.172 0.036 17 0 "[ . 1 . 2]"
1 86 LYS 0.016 0.010 11 0 "[ . 1 . 2]"
1 87 VAL 0.019 0.010 11 0 "[ . 1 . 2]"
1 88 ASP 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 53 ILE HA 1 54 ASP H . . 3.460 2.158 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
2 1 35 GLU H 1 35 GLU HB2 . . 3.430 2.890 2.750 3.097 . 0 0 "[ . 1 . 2]" 1
3 1 35 GLU H 1 35 GLU HB3 . . 3.430 2.355 2.249 2.413 . 0 0 "[ . 1 . 2]" 1
4 1 34 LYS HG3 1 35 GLU H . . 3.920 2.910 2.372 3.267 . 0 0 "[ . 1 . 2]" 1
5 1 36 LEU H 1 36 LEU HG . . 3.600 2.338 2.124 2.622 . 0 0 "[ . 1 . 2]" 1
6 1 36 LEU H 1 36 LEU HB2 . . 3.770 2.642 2.533 2.783 . 0 0 "[ . 1 . 2]" 1
7 1 34 LYS H 1 51 VAL HA . . 4.290 3.303 3.130 3.403 . 0 0 "[ . 1 . 2]" 1
8 1 34 LYS H 1 34 LYS HB3 . . 3.680 2.715 2.568 2.828 . 0 0 "[ . 1 . 2]" 1
9 1 34 LYS H 1 34 LYS HB2 . . 3.720 2.460 2.335 2.551 . 0 0 "[ . 1 . 2]" 1
10 1 49 PHE H 1 49 PHE QB . . 3.670 2.625 2.523 2.689 . 0 0 "[ . 1 . 2]" 1
11 1 49 PHE H 1 69 ALA MB . . 4.130 3.142 2.774 3.391 . 0 0 "[ . 1 . 2]" 1
12 1 49 PHE H 1 73 ALA MB . . 4.490 3.577 3.409 3.765 . 0 0 "[ . 1 . 2]" 1
13 1 51 VAL HA 1 52 LEU H . . 2.930 2.307 2.295 2.315 . 0 0 "[ . 1 . 2]" 1
14 1 52 LEU H 1 52 LEU HB2 . . 3.290 2.611 2.601 2.621 . 0 0 "[ . 1 . 2]" 1
15 1 52 LEU H 1 52 LEU MD1 . . 3.750 2.679 2.583 2.877 . 0 0 "[ . 1 . 2]" 1
16 1 51 VAL MG1 1 52 LEU H . . 3.380 1.959 1.872 2.034 . 0 0 "[ . 1 . 2]" 1
17 1 30 ALA H 1 54 ASP H . . 4.410 2.749 2.360 2.999 . 0 0 "[ . 1 . 2]" 1
18 1 29 VAL HA 1 30 ALA H . . 2.960 2.485 2.344 2.621 . 0 0 "[ . 1 . 2]" 1
19 1 30 ALA H 1 54 ASP HA . . 4.490 3.342 3.080 3.535 . 0 0 "[ . 1 . 2]" 1
20 1 29 VAL HB 1 30 ALA H . . 3.300 2.215 1.945 2.530 . 0 0 "[ . 1 . 2]" 1
21 1 29 VAL MG1 1 30 ALA H . . 3.790 3.598 3.445 3.757 . 0 0 "[ . 1 . 2]" 1
22 1 29 VAL MG2 1 30 ALA H . . 3.810 3.327 3.105 3.513 . 0 0 "[ . 1 . 2]" 1
23 1 30 ALA H 1 53 ILE MG . . 4.310 3.534 3.068 3.873 . 0 0 "[ . 1 . 2]" 1
24 1 52 LEU HA 1 58 PHE H . . 4.300 3.253 3.185 3.323 . 0 0 "[ . 1 . 2]" 1
25 1 58 PHE H 1 58 PHE QD . . 3.820 2.540 2.507 2.575 . 0 0 "[ . 1 . 2]" 1
26 1 58 PHE H 1 58 PHE HB2 . . 3.550 2.275 2.252 2.293 . 0 0 "[ . 1 . 2]" 1
27 1 57 GLU QB 1 58 PHE H . . 3.990 3.577 3.527 3.630 . 0 0 "[ . 1 . 2]" 1
28 1 44 ASP H 1 44 ASP HB2 . . 4.160 2.748 2.341 3.214 . 0 0 "[ . 1 . 2]" 1
29 1 44 ASP H 1 44 ASP HB3 . . 4.160 2.947 2.367 3.659 . 0 0 "[ . 1 . 2]" 1
30 1 50 GLN HA 1 51 VAL H . . 3.210 2.280 2.204 2.391 . 0 0 "[ . 1 . 2]" 1
31 1 51 VAL H 1 58 PHE HB2 . . 4.250 2.829 2.668 2.983 . 0 0 "[ . 1 . 2]" 1
32 1 50 GLN HB3 1 51 VAL H . . 4.310 4.141 3.978 4.274 . 0 0 "[ . 1 . 2]" 1
33 1 50 GLN HB2 1 51 VAL H . . 3.640 2.901 2.632 3.132 . 0 0 "[ . 1 . 2]" 1
34 1 51 VAL H 1 51 VAL HB . . 3.090 2.567 2.459 2.627 . 0 0 "[ . 1 . 2]" 1
35 1 33 TYR H 1 33 TYR QD . . 3.660 2.174 2.064 2.331 . 0 0 "[ . 1 . 2]" 1
36 1 32 THR HA 1 33 TYR H . . 2.880 2.166 2.154 2.191 . 0 0 "[ . 1 . 2]" 1
37 1 33 TYR H 1 33 TYR HB2 . . 3.530 2.491 2.462 2.530 . 0 0 "[ . 1 . 2]" 1
38 1 33 TYR H 1 33 TYR HB3 . . 3.940 3.673 3.645 3.695 . 0 0 "[ . 1 . 2]" 1
39 1 32 THR MG 1 33 TYR H . . 3.450 2.516 2.310 2.630 . 0 0 "[ . 1 . 2]" 1
40 1 56 LYS HA 1 57 GLU H . . 2.810 2.225 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
41 1 57 GLU H 1 57 GLU HG3 . . 3.560 3.339 3.202 3.432 . 0 0 "[ . 1 . 2]" 1
42 1 57 GLU H 1 57 GLU QB . . 2.980 2.245 2.193 2.287 . 0 0 "[ . 1 . 2]" 1
43 1 31 ILE HA 1 32 THR H . . 2.890 2.157 2.144 2.183 . 0 0 "[ . 1 . 2]" 1
44 1 32 THR H 1 52 LEU HB2 . . 3.820 2.941 2.854 2.989 . 0 0 "[ . 1 . 2]" 1
45 1 31 ILE MD 1 32 THR H . . 4.970 4.948 4.901 4.972 0.002 7 0 "[ . 1 . 2]" 1
46 1 31 ILE MG 1 32 THR H . . 3.610 2.508 2.099 2.647 . 0 0 "[ . 1 . 2]" 1
47 1 32 THR H 1 51 VAL MG1 . . 4.170 2.905 2.753 3.158 . 0 0 "[ . 1 . 2]" 1
48 1 56 LYS H 1 56 LYS HG2 . . 4.780 4.508 4.479 4.542 . 0 0 "[ . 1 . 2]" 1
49 1 56 LYS H 1 56 LYS HB3 . . 3.050 2.662 2.619 2.699 . 0 0 "[ . 1 . 2]" 1
50 1 56 LYS H 1 56 LYS HB2 . . 3.020 2.774 2.707 2.879 . 0 0 "[ . 1 . 2]" 1
51 1 73 ALA H 1 73 ALA MB . . 2.960 2.169 2.027 2.239 . 0 0 "[ . 1 . 2]" 1
52 1 61 ALA MB 1 73 ALA H . . 3.550 2.641 2.282 3.271 . 0 0 "[ . 1 . 2]" 1
53 1 29 VAL MG2 1 31 ILE H . . 4.590 3.997 3.846 4.208 . 0 0 "[ . 1 . 2]" 1
54 1 31 ILE H 1 31 ILE MD . . 4.880 3.933 3.835 4.049 . 0 0 "[ . 1 . 2]" 1
55 1 30 ALA HA 1 31 ILE H . . 2.750 2.148 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
56 1 31 ILE H 1 31 ILE HB . . 3.330 2.633 2.555 2.760 . 0 0 "[ . 1 . 2]" 1
57 1 30 ALA MB 1 31 ILE H . . 3.350 3.332 3.262 3.356 0.006 13 0 "[ . 1 . 2]" 1
58 1 31 ILE H 1 31 ILE HG12 . . 4.190 3.304 2.978 3.513 . 0 0 "[ . 1 . 2]" 1
59 1 31 ILE H 1 31 ILE MG . . 4.390 3.828 3.803 3.850 . 0 0 "[ . 1 . 2]" 1
60 1 71 ASN HB3 1 72 ALA H . . 4.140 2.474 2.223 2.702 . 0 0 "[ . 1 . 2]" 1
61 1 72 ALA H 1 72 ALA MB . . 2.950 2.083 2.027 2.230 . 0 0 "[ . 1 . 2]" 1
62 1 23 TYR H 1 23 TYR HB3 . . 3.350 2.390 2.345 2.462 . 0 0 "[ . 1 . 2]" 1
63 1 23 TYR H 1 23 TYR HB2 . . 3.250 2.929 2.828 2.987 . 0 0 "[ . 1 . 2]" 1
64 1 22 LYS QB 1 23 TYR H . . 3.370 2.984 2.873 3.020 . 0 0 "[ . 1 . 2]" 1
65 1 33 TYR QE 1 74 ALA H . . 4.720 4.550 4.355 4.706 . 0 0 "[ . 1 . 2]" 1
66 1 71 ASN HA 1 74 ALA H . . 4.200 3.653 3.414 3.888 . 0 0 "[ . 1 . 2]" 1
67 1 74 ALA H 1 74 ALA MB . . 2.790 2.182 2.097 2.238 . 0 0 "[ . 1 . 2]" 1
68 1 45 ARG H 1 46 ARG H . . 4.540 4.415 4.309 4.496 . 0 0 "[ . 1 . 2]" 1
69 1 45 ARG H 1 45 ARG QG . . 3.360 3.016 2.862 3.114 . 0 0 "[ . 1 . 2]" 1
70 1 45 ARG H 1 45 ARG HB3 . . 3.730 3.596 3.545 3.647 . 0 0 "[ . 1 . 2]" 1
71 1 63 GLY HA3 1 69 ALA H . . 3.230 2.995 2.679 3.210 . 0 0 "[ . 1 . 2]" 1
72 1 45 ARG H 1 45 ARG HB2 . . 2.970 2.355 2.294 2.430 . 0 0 "[ . 1 . 2]" 1
73 1 50 GLN HA 1 61 ALA H . . 4.120 3.943 3.834 4.097 . 0 0 "[ . 1 . 2]" 1
74 1 60 GLU HB2 1 61 ALA H . . 3.360 2.189 2.035 2.312 . 0 0 "[ . 1 . 2]" 1
75 1 60 GLU HA 1 61 ALA H . . 3.060 2.540 2.470 2.610 . 0 0 "[ . 1 . 2]" 1
76 1 61 ALA H 1 73 ALA MB . . 3.830 2.985 2.683 3.225 . 0 0 "[ . 1 . 2]" 1
77 1 61 ALA H 1 61 ALA MB . . 3.460 2.718 2.618 2.814 . 0 0 "[ . 1 . 2]" 1
78 1 48 THR MG 1 61 ALA H . . 4.020 2.503 2.336 2.629 . 0 0 "[ . 1 . 2]" 1
79 1 78 VAL HA 1 81 LEU H . . 4.120 3.531 3.397 3.722 . 0 0 "[ . 1 . 2]" 1
80 1 80 ILE MG 1 81 LEU H . . 3.480 3.073 2.875 3.262 . 0 0 "[ . 1 . 2]" 1
81 1 45 ARG H 1 45 ARG HD3 . . 4.860 4.565 4.460 4.663 . 0 0 "[ . 1 . 2]" 1
82 1 67 GLN HA 1 69 ALA H . . 4.170 4.099 3.989 4.172 0.002 20 0 "[ . 1 . 2]" 1
83 1 68 GLU QB 1 69 ALA H . . 3.480 2.672 2.576 2.767 . 0 0 "[ . 1 . 2]" 1
84 1 69 ALA H 1 69 ALA MB . . 2.920 2.180 2.059 2.247 . 0 0 "[ . 1 . 2]" 1
85 1 47 PHE H 1 47 PHE QD . . 3.620 2.815 1.964 3.110 . 0 0 "[ . 1 . 2]" 1
86 1 46 ARG HD3 1 47 PHE H . . 4.290 3.839 3.512 4.219 . 0 0 "[ . 1 . 2]" 1
87 1 47 PHE H 1 47 PHE HB3 . . 4.130 3.649 3.638 3.672 . 0 0 "[ . 1 . 2]" 1
88 1 46 ARG HB2 1 47 PHE H . . 4.680 4.353 4.273 4.455 . 0 0 "[ . 1 . 2]" 1
89 1 47 PHE H 1 69 ALA MB . . 4.920 3.927 3.591 4.162 . 0 0 "[ . 1 . 2]" 1
90 1 46 ARG HB3 1 47 PHE H . . 3.600 3.494 3.337 3.604 0.004 14 0 "[ . 1 . 2]" 1
91 1 86 LYS H 1 86 LYS HB2 . . 3.770 2.445 2.179 2.797 . 0 0 "[ . 1 . 2]" 1
92 1 86 LYS H 1 86 LYS HB3 . . 3.770 3.056 2.509 3.654 . 0 0 "[ . 1 . 2]" 1
93 1 18 ASP H 1 18 ASP HB2 . . 3.010 2.232 2.186 2.356 . 0 0 "[ . 1 . 2]" 1
94 1 17 MET HB2 1 18 ASP H . . 3.950 2.775 2.517 3.031 . 0 0 "[ . 1 . 2]" 1
95 1 17 MET HB3 1 18 ASP H . . 3.950 3.560 3.356 3.749 . 0 0 "[ . 1 . 2]" 1
96 1 19 LYS HA 1 22 LYS H . . 4.030 3.678 3.473 3.887 . 0 0 "[ . 1 . 2]" 1
97 1 86 LYS HA 1 87 VAL H . . 3.330 2.249 2.141 2.765 . 0 0 "[ . 1 . 2]" 1
98 1 87 VAL H 1 87 VAL HB . . 3.650 3.075 2.393 3.659 0.009 20 0 "[ . 1 . 2]" 1
99 1 87 VAL H 1 87 VAL MG1 . . 4.410 2.608 1.975 3.806 . 0 0 "[ . 1 . 2]" 1
100 1 87 VAL H 1 87 VAL MG2 . . 4.410 2.771 1.903 3.899 . 0 0 "[ . 1 . 2]" 1
101 1 53 ILE H 1 56 LYS H . . 3.830 3.091 2.921 3.190 . 0 0 "[ . 1 . 2]" 1
102 1 53 ILE H 1 58 PHE QE . . 4.210 2.362 2.196 2.502 . 0 0 "[ . 1 . 2]" 1
103 1 53 ILE H 1 53 ILE HB . . 3.640 2.698 2.645 2.791 . 0 0 "[ . 1 . 2]" 1
104 1 53 ILE H 1 56 LYS HB3 . . 3.970 2.725 2.580 2.857 . 0 0 "[ . 1 . 2]" 1
105 1 52 LEU HG 1 53 ILE H . . 5.310 4.397 4.359 4.429 . 0 0 "[ . 1 . 2]" 1
106 1 52 LEU HB3 1 53 ILE H . . 3.860 3.611 3.512 3.655 . 0 0 "[ . 1 . 2]" 1
107 1 53 ILE H 1 53 ILE HG13 . . 3.860 2.577 2.406 2.721 . 0 0 "[ . 1 . 2]" 1
108 1 17 MET H 1 18 ASP H . . 3.450 2.869 2.680 3.014 . 0 0 "[ . 1 . 2]" 1
109 1 17 MET H 1 71 ASN HA . . 4.130 3.278 3.048 3.425 . 0 0 "[ . 1 . 2]" 1
110 1 16 TYR HB2 1 17 MET H . . 4.220 2.528 2.322 2.753 . 0 0 "[ . 1 . 2]" 1
111 1 17 MET H 1 17 MET QG . . 3.100 2.343 2.076 2.607 . 0 0 "[ . 1 . 2]" 1
112 1 17 MET H 1 74 ALA MB . . 3.740 3.201 3.006 3.414 . 0 0 "[ . 1 . 2]" 1
113 1 79 ASP H 1 80 ILE H . . 3.140 2.744 2.636 2.912 . 0 0 "[ . 1 . 2]" 1
114 1 80 ILE H 1 81 LEU H . . 3.350 2.690 2.581 2.808 . 0 0 "[ . 1 . 2]" 1
115 1 79 ASP HB2 1 80 ILE H . . 3.770 3.319 2.698 3.743 . 0 0 "[ . 1 . 2]" 1
116 1 80 ILE H 1 80 ILE HB . . 2.930 2.446 2.390 2.540 . 0 0 "[ . 1 . 2]" 1
117 1 80 ILE H 1 80 ILE HG13 . . 3.330 2.351 2.124 2.473 . 0 0 "[ . 1 . 2]" 1
118 1 80 ILE H 1 80 ILE HG12 . . 3.870 3.775 3.626 3.871 0.001 3 0 "[ . 1 . 2]" 1
119 1 80 ILE H 1 80 ILE MD . . 3.650 3.294 3.090 3.425 . 0 0 "[ . 1 . 2]" 1
120 1 45 ARG HA 1 46 ARG H . . 2.930 2.151 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
121 1 46 ARG H 1 46 ARG HB2 . . 3.340 2.446 2.335 2.556 . 0 0 "[ . 1 . 2]" 1
122 1 45 ARG HB3 1 46 ARG H . . 3.950 3.383 3.166 3.657 . 0 0 "[ . 1 . 2]" 1
123 1 24 ARG H 1 25 GLN H . . 3.320 2.562 2.410 2.674 . 0 0 "[ . 1 . 2]" 1
124 1 21 ASN HA 1 24 ARG H . . 4.110 3.127 2.982 3.340 . 0 0 "[ . 1 . 2]" 1
125 1 23 TYR HB3 1 24 ARG H . . 3.650 2.861 2.677 3.114 . 0 0 "[ . 1 . 2]" 1
126 1 24 ARG H 1 24 ARG HB3 . . 3.330 2.246 2.202 2.323 . 0 0 "[ . 1 . 2]" 1
127 1 24 ARG H 1 24 ARG HG2 . . 3.160 2.764 2.683 2.840 . 0 0 "[ . 1 . 2]" 1
128 1 24 ARG H 1 24 ARG HB2 . . 3.620 3.531 3.505 3.573 . 0 0 "[ . 1 . 2]" 1
129 1 24 ARG H 1 31 ILE MD . . 4.230 3.117 2.917 3.336 . 0 0 "[ . 1 . 2]" 1
130 1 23 TYR H 1 24 ARG H . . 3.380 2.208 2.179 2.265 . 0 0 "[ . 1 . 2]" 1
131 1 84 GLU H 1 84 GLU HG3 . . 4.450 3.868 2.270 4.429 . 0 0 "[ . 1 . 2]" 1
132 1 83 ASN HA 1 84 GLU H . . 3.480 3.491 3.476 3.517 0.037 14 0 "[ . 1 . 2]" 1
133 1 81 LEU HA 1 84 GLU H . . 4.470 3.028 2.743 3.834 . 0 0 "[ . 1 . 2]" 1
134 1 83 ASN QB 1 84 GLU H . . 3.770 2.811 2.687 2.865 . 0 0 "[ . 1 . 2]" 1
135 1 84 GLU H 1 84 GLU HG2 . . 4.450 3.545 2.383 4.505 0.055 14 0 "[ . 1 . 2]" 1
136 1 84 GLU H 1 84 GLU QB . . 3.210 2.853 2.125 3.145 . 0 0 "[ . 1 . 2]" 1
137 1 74 ALA H 1 75 LYS H . . 3.520 2.567 2.457 2.646 . 0 0 "[ . 1 . 2]" 1
138 1 75 LYS H 1 76 LEU H . . 3.550 2.869 2.736 2.933 . 0 0 "[ . 1 . 2]" 1
139 1 75 LYS H 1 75 LYS HB2 . . 3.240 2.527 2.449 2.643 . 0 0 "[ . 1 . 2]" 1
140 1 16 TYR HB2 1 75 LYS H . . 4.030 3.895 3.691 4.032 0.002 7 0 "[ . 1 . 2]" 1
141 1 16 TYR HB3 1 75 LYS H . . 4.390 3.806 3.590 3.987 . 0 0 "[ . 1 . 2]" 1
142 1 75 LYS H 1 75 LYS HB3 . . 2.800 2.522 2.416 2.607 . 0 0 "[ . 1 . 2]" 1
143 1 74 ALA MB 1 75 LYS H . . 2.910 2.726 2.593 2.866 . 0 0 "[ . 1 . 2]" 1
144 1 75 LYS H 1 75 LYS HG2 . . 5.020 4.463 4.381 4.518 . 0 0 "[ . 1 . 2]" 1
145 1 72 ALA HA 1 75 LYS H . . 3.800 3.312 3.207 3.475 . 0 0 "[ . 1 . 2]" 1
146 1 17 MET HA 1 20 LEU H . . 3.940 3.556 3.323 3.676 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU H 1 78 VAL MG2 . . 3.620 3.397 3.093 3.599 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU H 1 20 LEU MD1 . . 3.830 3.616 3.480 3.833 0.003 14 0 "[ . 1 . 2]" 1
149 1 20 LEU H 1 20 LEU HB2 . . 2.920 2.206 2.163 2.252 . 0 0 "[ . 1 . 2]" 1
150 1 19 LYS H 1 20 LEU H . . 3.470 2.582 2.461 2.717 . 0 0 "[ . 1 . 2]" 1
151 1 19 LYS H 1 19 LYS QB . . 3.060 2.451 2.381 2.597 . 0 0 "[ . 1 . 2]" 1
152 1 19 LYS H 1 19 LYS HG3 . . 3.700 2.445 2.180 2.584 . 0 0 "[ . 1 . 2]" 1
153 1 18 ASP H 1 19 LYS H . . 3.440 2.528 2.370 2.647 . 0 0 "[ . 1 . 2]" 1
154 1 16 TYR HA 1 19 LYS H . . 3.270 3.148 2.999 3.261 . 0 0 "[ . 1 . 2]" 1
155 1 18 ASP HB3 1 19 LYS H . . 3.580 3.509 3.362 3.582 0.002 15 0 "[ . 1 . 2]" 1
156 1 18 ASP HB2 1 19 LYS H . . 3.390 2.904 2.635 3.023 . 0 0 "[ . 1 . 2]" 1
157 1 19 LYS H 1 19 LYS QD . . 4.530 4.304 4.069 4.405 . 0 0 "[ . 1 . 2]" 1
158 1 19 LYS H 1 19 LYS HG2 . . 3.700 3.023 2.723 3.180 . 0 0 "[ . 1 . 2]" 1
159 1 63 GLY HA3 1 64 ARG H . . 3.530 3.068 2.818 3.176 . 0 0 "[ . 1 . 2]" 1
160 1 64 ARG H 1 64 ARG HB2 . . 3.910 2.338 2.172 2.695 . 0 0 "[ . 1 . 2]" 1
161 1 64 ARG H 1 68 GLU QB . . 3.950 2.949 2.573 3.483 . 0 0 "[ . 1 . 2]" 1
162 1 64 ARG H 1 64 ARG HB3 . . 3.910 3.024 2.575 3.616 . 0 0 "[ . 1 . 2]" 1
163 1 64 ARG H 1 64 ARG HG2 . . 4.630 4.141 2.711 4.627 . 0 0 "[ . 1 . 2]" 1
164 1 67 GLN H 1 68 GLU H . . 4.040 2.762 2.607 2.962 . 0 0 "[ . 1 . 2]" 1
165 1 68 GLU H 1 68 GLU QB . . 3.070 2.156 2.120 2.243 . 0 0 "[ . 1 . 2]" 1
166 1 68 GLU H 1 68 GLU HG2 . . 4.610 4.488 4.413 4.624 0.014 20 0 "[ . 1 . 2]" 1
167 1 67 GLN QG 1 68 GLU H . . 4.310 4.004 3.521 4.304 . 0 0 "[ . 1 . 2]" 1
168 1 67 GLN HB2 1 68 GLU H . . 3.670 3.129 2.217 3.638 . 0 0 "[ . 1 . 2]" 1
169 1 67 GLN HB3 1 68 GLU H . . 3.740 2.654 2.116 3.329 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HB2 1 21 ASN H . . 3.890 2.469 2.319 2.590 . 0 0 "[ . 1 . 2]" 1
171 1 20 LEU HB3 1 21 ASN H . . 3.640 2.914 2.745 3.133 . 0 0 "[ . 1 . 2]" 1
172 1 79 ASP H 1 79 ASP HB2 . . 3.310 2.238 2.202 2.348 . 0 0 "[ . 1 . 2]" 1
173 1 79 ASP H 1 79 ASP HB3 . . 3.700 3.124 2.732 3.549 . 0 0 "[ . 1 . 2]" 1
174 1 78 VAL HB 1 79 ASP H . . 3.690 2.632 2.472 2.748 . 0 0 "[ . 1 . 2]" 1
175 1 78 VAL HA 1 82 ASP H . . 4.320 4.026 3.822 4.214 . 0 0 "[ . 1 . 2]" 1
176 1 82 ASP H 1 82 ASP HB2 . . 3.540 2.523 2.185 2.781 . 0 0 "[ . 1 . 2]" 1
177 1 81 LEU HB2 1 82 ASP H . . 3.710 2.301 2.158 2.578 . 0 0 "[ . 1 . 2]" 1
178 1 78 VAL MG1 1 82 ASP H . . 4.290 3.755 3.457 3.936 . 0 0 "[ . 1 . 2]" 1
179 1 25 GLN H 1 25 GLN HG2 . . 3.630 2.453 1.919 3.390 . 0 0 "[ . 1 . 2]" 1
180 1 25 GLN H 1 25 GLN HG3 . . 3.630 3.263 2.329 3.578 . 0 0 "[ . 1 . 2]" 1
181 1 77 ALA H 1 79 ASP H . . 4.270 3.995 3.886 4.136 . 0 0 "[ . 1 . 2]" 1
182 1 77 ALA H 1 78 VAL MG2 . . 4.350 4.223 4.116 4.318 . 0 0 "[ . 1 . 2]" 1
183 1 77 ALA H 1 78 VAL H . . 3.290 2.860 2.825 2.909 . 0 0 "[ . 1 . 2]" 1
184 1 78 VAL H 1 78 VAL HB . . 3.200 2.659 2.579 2.788 . 0 0 "[ . 1 . 2]" 1
185 1 78 VAL H 1 78 VAL MG2 . . 3.070 1.985 1.884 2.089 . 0 0 "[ . 1 . 2]" 1
186 1 77 ALA MB 1 78 VAL H . . 3.430 2.177 2.043 2.371 . 0 0 "[ . 1 . 2]" 1
187 1 38 THR HA 1 39 SER H . . 3.100 2.202 2.141 2.286 . 0 0 "[ . 1 . 2]" 1
188 1 74 ALA HA 1 78 VAL H . . 3.930 3.675 3.560 3.828 . 0 0 "[ . 1 . 2]" 1
189 1 38 THR MG 1 39 SER H . . 3.480 2.296 1.932 2.745 . 0 0 "[ . 1 . 2]" 1
190 1 37 SER HB2 1 38 THR H . . 4.340 3.243 2.004 3.757 . 0 0 "[ . 1 . 2]" 1
191 1 60 GLU H 1 60 GLU HB3 . . 3.150 2.443 2.335 2.525 . 0 0 "[ . 1 . 2]" 1
192 1 59 PRO HB3 1 60 GLU H . . 4.340 4.292 4.251 4.346 0.006 10 0 "[ . 1 . 2]" 1
193 1 60 GLU H 1 60 GLU HG2 . . 3.920 3.228 2.581 3.675 . 0 0 "[ . 1 . 2]" 1
194 1 60 GLU H 1 60 GLU HG3 . . 3.920 3.785 2.194 3.932 0.012 10 0 "[ . 1 . 2]" 1
195 1 83 ASN QB 1 85 ASN H . . 4.530 3.042 2.369 4.540 0.010 14 0 "[ . 1 . 2]" 1
196 1 82 ASP H 1 83 ASN H . . 3.580 2.913 2.608 3.038 . 0 0 "[ . 1 . 2]" 1
197 1 82 ASP HA 1 83 ASN H . . 3.570 3.524 3.473 3.563 . 0 0 "[ . 1 . 2]" 1
198 1 80 ILE HA 1 83 ASN H . . 4.310 3.639 3.434 3.816 . 0 0 "[ . 1 . 2]" 1
199 1 83 ASN H 1 83 ASN QB . . 3.060 2.405 2.138 2.709 . 0 0 "[ . 1 . 2]" 1
200 1 67 GLN H 1 67 GLN HB3 . . 4.040 3.073 2.705 3.574 . 0 0 "[ . 1 . 2]" 1
201 1 67 GLN H 1 67 GLN HB2 . . 3.940 2.306 2.189 2.384 . 0 0 "[ . 1 . 2]" 1
202 1 70 ARG H 1 71 ASN H . . 3.460 2.824 2.740 2.930 . 0 0 "[ . 1 . 2]" 1
203 1 69 ALA MB 1 70 ARG H . . 2.980 2.443 2.246 2.556 . 0 0 "[ . 1 . 2]" 1
204 1 70 ARG H 1 70 ARG HB2 . . 2.910 2.264 2.212 2.378 . 0 0 "[ . 1 . 2]" 1
205 1 70 ARG H 1 70 ARG HB3 . . 3.690 3.535 3.510 3.573 . 0 0 "[ . 1 . 2]" 1
206 1 70 ARG H 1 70 ARG HG3 . . 3.480 2.769 2.534 2.903 . 0 0 "[ . 1 . 2]" 1
207 1 70 ARG H 1 70 ARG HG2 . . 4.150 3.563 3.335 3.706 . 0 0 "[ . 1 . 2]" 1
208 1 62 LYS H 1 62 LYS HB2 . . 2.930 2.382 2.292 2.456 . 0 0 "[ . 1 . 2]" 1
209 1 61 ALA MB 1 62 LYS H . . 2.850 2.544 2.448 2.667 . 0 0 "[ . 1 . 2]" 1
210 1 11 ASP QB 1 12 THR H . . 4.310 3.738 2.181 4.022 . 0 0 "[ . 1 . 2]" 1
211 1 12 THR H 1 12 THR MG . . 4.190 3.806 3.607 4.025 . 0 0 "[ . 1 . 2]" 1
212 1 71 ASN H 1 73 ALA H . . 5.020 4.480 4.112 4.783 . 0 0 "[ . 1 . 2]" 1
213 1 71 ASN H 1 74 ALA H . . 5.500 4.881 4.742 5.012 . 0 0 "[ . 1 . 2]" 1
214 1 70 ARG HB3 1 71 ASN H . . 4.250 3.260 3.178 3.393 . 0 0 "[ . 1 . 2]" 1
215 1 68 GLU HA 1 71 ASN H . . 4.040 3.675 3.556 3.908 . 0 0 "[ . 1 . 2]" 1
216 1 71 ASN H 1 71 ASN HB3 . . 3.350 2.658 2.484 2.827 . 0 0 "[ . 1 . 2]" 1
217 1 71 ASN H 1 72 ALA MB . . 4.350 4.303 4.215 4.350 . 0 0 "[ . 1 . 2]" 1
218 1 70 ARG HB2 1 71 ASN H . . 3.650 2.698 2.537 2.745 . 0 0 "[ . 1 . 2]" 1
219 1 47 PHE QD 1 48 THR H . . 4.410 4.291 4.107 4.398 . 0 0 "[ . 1 . 2]" 1
220 1 47 PHE HA 1 48 THR H . . 3.010 2.147 2.138 2.178 . 0 0 "[ . 1 . 2]" 1
221 1 38 THR HA 1 48 THR H . . 4.040 3.099 2.869 3.233 . 0 0 "[ . 1 . 2]" 1
222 1 48 THR H 1 48 THR HB . . 3.490 2.640 2.527 2.699 . 0 0 "[ . 1 . 2]" 1
223 1 47 PHE HB2 1 48 THR H . . 4.270 4.119 3.942 4.233 . 0 0 "[ . 1 . 2]" 1
224 1 47 PHE HB3 1 48 THR H . . 4.270 3.379 3.150 3.596 . 0 0 "[ . 1 . 2]" 1
225 1 48 THR H 1 69 ALA MB . . 4.680 4.363 4.150 4.504 . 0 0 "[ . 1 . 2]" 1
226 1 48 THR H 1 48 THR MG . . 4.430 3.824 3.803 3.852 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLN HG3 1 26 MET H . . 4.790 3.104 2.281 4.698 . 0 0 "[ . 1 . 2]" 1
228 1 26 MET H 1 26 MET HB2 . . 3.570 2.477 2.175 3.590 0.020 4 0 "[ . 1 . 2]" 1
229 1 26 MET H 1 26 MET HB3 . . 3.570 2.954 2.196 3.547 . 0 0 "[ . 1 . 2]" 1
230 1 16 TYR H 1 17 MET H . . 3.340 2.769 2.597 2.947 . 0 0 "[ . 1 . 2]" 1
231 1 16 TYR H 1 16 TYR QD . . 3.380 3.090 2.965 3.248 . 0 0 "[ . 1 . 2]" 1
232 1 15 PHE QD 1 16 TYR H . . 4.370 3.433 3.018 3.850 . 0 0 "[ . 1 . 2]" 1
233 1 15 PHE HB2 1 16 TYR H . . 3.920 3.530 3.258 3.712 . 0 0 "[ . 1 . 2]" 1
234 1 16 TYR H 1 16 TYR HB2 . . 3.480 2.320 2.253 2.480 . 0 0 "[ . 1 . 2]" 1
235 1 16 TYR H 1 16 TYR HB3 . . 3.750 3.558 3.534 3.593 . 0 0 "[ . 1 . 2]" 1
236 1 15 PHE HB3 1 16 TYR H . . 3.430 2.197 1.921 2.461 . 0 0 "[ . 1 . 2]" 1
237 1 76 LEU H 1 76 LEU HB2 . . 3.560 2.665 2.602 2.715 . 0 0 "[ . 1 . 2]" 1
238 1 76 LEU H 1 76 LEU MD2 . . 3.250 3.106 2.988 3.215 . 0 0 "[ . 1 . 2]" 1
239 1 76 LEU H 1 76 LEU HG . . 2.850 1.952 1.900 2.053 . 0 0 "[ . 1 . 2]" 1
240 1 75 LYS HB3 1 76 LEU H . . 3.420 2.461 2.387 2.645 . 0 0 "[ . 1 . 2]" 1
241 1 34 LYS H 1 50 GLN H . . 3.790 3.547 3.371 3.664 . 0 0 "[ . 1 . 2]" 1
242 1 49 PHE QD 1 50 GLN H . . 4.190 3.120 2.961 3.298 . 0 0 "[ . 1 . 2]" 1
243 1 49 PHE HA 1 50 GLN H . . 3.090 2.412 2.338 2.462 . 0 0 "[ . 1 . 2]" 1
244 1 49 PHE QB 1 50 GLN H . . 3.410 2.452 2.330 2.634 . 0 0 "[ . 1 . 2]" 1
245 1 50 GLN H 1 50 GLN HG3 . . 4.000 3.805 3.614 3.869 . 0 0 "[ . 1 . 2]" 1
246 1 50 GLN H 1 50 GLN HG2 . . 3.850 2.904 2.815 3.007 . 0 0 "[ . 1 . 2]" 1
247 1 34 LYS HB3 1 50 GLN H . . 4.280 3.916 3.568 4.099 . 0 0 "[ . 1 . 2]" 1
248 1 36 LEU MD1 1 50 GLN H . . 4.480 3.949 3.477 4.454 . 0 0 "[ . 1 . 2]" 1
249 1 36 LEU MD2 1 50 GLN H . . 4.890 4.153 3.601 4.566 . 0 0 "[ . 1 . 2]" 1
250 1 37 SER H 1 38 THR H . . 5.360 4.550 4.512 4.602 . 0 0 "[ . 1 . 2]" 1
251 1 37 SER H 1 37 SER HB2 . . 3.710 2.687 2.193 3.591 . 0 0 "[ . 1 . 2]" 1
252 1 37 SER H 1 37 SER HB3 . . 3.710 2.903 2.230 3.598 . 0 0 "[ . 1 . 2]" 1
253 1 36 LEU HB3 1 37 SER H . . 3.620 2.298 2.060 2.543 . 0 0 "[ . 1 . 2]" 1
254 1 36 LEU HB2 1 37 SER H . . 3.990 3.219 2.944 3.413 . 0 0 "[ . 1 . 2]" 1
255 1 36 LEU MD1 1 37 SER H . . 5.000 4.252 3.989 4.575 . 0 0 "[ . 1 . 2]" 1
256 1 24 ARG HA 1 27 HIS H . . 4.220 3.970 3.766 4.187 . 0 0 "[ . 1 . 2]" 1
257 1 27 HIS H 1 28 GLY H . . 3.310 2.499 2.324 2.659 . 0 0 "[ . 1 . 2]" 1
258 1 27 HIS H 1 27 HIS HD2 . . 4.150 2.753 2.288 3.093 . 0 0 "[ . 1 . 2]" 1
259 1 27 HIS H 1 27 HIS HB3 . . 3.660 3.547 3.515 3.582 . 0 0 "[ . 1 . 2]" 1
260 1 27 HIS H 1 27 HIS HB2 . . 3.300 2.274 2.216 2.377 . 0 0 "[ . 1 . 2]" 1
261 1 26 MET HB2 1 27 HIS H . . 3.930 3.225 2.501 3.919 . 0 0 "[ . 1 . 2]" 1
262 1 26 MET HB3 1 27 HIS H . . 3.930 2.702 2.065 3.552 . 0 0 "[ . 1 . 2]" 1
263 1 64 ARG H 1 65 SER H . . 3.770 3.068 2.741 3.205 . 0 0 "[ . 1 . 2]" 1
264 1 47 PHE QD 1 65 SER H . . 4.660 4.246 4.019 4.648 . 0 0 "[ . 1 . 2]" 1
265 1 63 GLY HA2 1 65 SER H . . 4.560 4.460 4.273 4.559 . 0 0 "[ . 1 . 2]" 1
266 1 50 GLN HB3 1 50 GLN HE21 . . 4.170 3.438 3.283 3.551 . 0 0 "[ . 1 . 2]" 1
267 1 50 GLN HE21 1 57 GLU QB . . 3.900 3.752 3.622 3.831 . 0 0 "[ . 1 . 2]" 1
268 1 28 GLY H 1 29 VAL H . . 3.750 2.254 2.056 2.477 . 0 0 "[ . 1 . 2]" 1
269 1 24 ARG HA 1 29 VAL H . . 3.460 2.646 2.459 2.812 . 0 0 "[ . 1 . 2]" 1
270 1 29 VAL H 1 29 VAL HB . . 3.880 3.730 3.678 3.784 . 0 0 "[ . 1 . 2]" 1
271 1 29 VAL H 1 29 VAL MG1 . . 3.370 2.868 2.752 2.986 . 0 0 "[ . 1 . 2]" 1
272 1 29 VAL H 1 29 VAL MG2 . . 3.080 2.184 2.088 2.280 . 0 0 "[ . 1 . 2]" 1
273 1 62 LYS HB3 1 63 GLY H . . 3.110 2.800 2.601 2.979 . 0 0 "[ . 1 . 2]" 1
274 1 63 GLY H 1 69 ALA MB . . 3.230 2.876 2.598 3.110 . 0 0 "[ . 1 . 2]" 1
275 1 44 ASP H 1 45 ARG H . . 4.290 4.292 4.290 4.299 0.009 5 0 "[ . 1 . 2]" 1
276 1 43 HIS H 1 44 ASP H . . 4.080 2.742 2.596 2.849 . 0 0 "[ . 1 . 2]" 1
277 1 71 ASN H 1 72 ALA H . . 3.090 2.745 2.641 2.907 . 0 0 "[ . 1 . 2]" 1
278 1 81 LEU H 1 82 ASP H . . 3.330 2.995 2.695 3.123 . 0 0 "[ . 1 . 2]" 1
279 1 78 VAL H 1 79 ASP H . . 3.150 2.854 2.781 2.913 . 0 0 "[ . 1 . 2]" 1
280 1 83 ASN H 1 84 GLU H . . 3.480 2.269 2.004 2.774 . 0 0 "[ . 1 . 2]" 1
281 1 22 LYS H 1 22 LYS QB . . 2.880 2.283 2.177 2.524 . 0 0 "[ . 1 . 2]" 1
282 1 36 LEU HG 1 50 GLN H . . 4.030 3.548 3.318 3.848 . 0 0 "[ . 1 . 2]" 1
283 1 35 GLU HA 1 50 GLN H . . 4.630 4.267 4.130 4.514 . 0 0 "[ . 1 . 2]" 1
284 1 50 GLN H 1 51 VAL HA . . 4.900 4.634 4.557 4.710 . 0 0 "[ . 1 . 2]" 1
285 1 36 LEU H 1 50 GLN H . . 5.090 4.443 4.183 4.725 . 0 0 "[ . 1 . 2]" 1
286 1 49 PHE H 1 61 ALA MB . . 4.520 3.969 3.879 4.040 . 0 0 "[ . 1 . 2]" 1
287 1 49 PHE H 1 49 PHE QD . . 4.480 3.459 3.286 3.602 . 0 0 "[ . 1 . 2]" 1
288 1 48 THR H 1 49 PHE H . . 4.780 4.551 4.455 4.590 . 0 0 "[ . 1 . 2]" 1
289 1 49 PHE H 1 50 GLN H . . 4.930 4.417 4.392 4.450 . 0 0 "[ . 1 . 2]" 1
290 1 38 THR H 1 48 THR H . . 5.500 5.288 5.053 5.437 . 0 0 "[ . 1 . 2]" 1
291 1 46 ARG HD2 1 47 PHE H . . 5.200 4.776 4.195 5.194 . 0 0 "[ . 1 . 2]" 1
292 1 47 PHE H 1 47 PHE QE . . 4.930 4.311 4.127 4.534 . 0 0 "[ . 1 . 2]" 1
293 1 40 GLY HA3 1 46 ARG H . . 4.080 3.221 3.015 3.337 . 0 0 "[ . 1 . 2]" 1
294 1 40 GLY HA2 1 46 ARG H . . 5.010 4.903 4.685 5.009 . 0 0 "[ . 1 . 2]" 1
295 1 45 ARG HD3 1 46 ARG H . . 4.420 3.310 3.062 3.769 . 0 0 "[ . 1 . 2]" 1
296 1 44 ASP H 1 45 ARG QG . . 4.930 4.605 4.354 4.786 . 0 0 "[ . 1 . 2]" 1
297 1 41 PRO HG2 1 44 ASP H . . 4.150 2.320 2.140 2.453 . 0 0 "[ . 1 . 2]" 1
298 1 43 HIS HB3 1 44 ASP H . . 5.320 3.820 3.647 3.929 . 0 0 "[ . 1 . 2]" 1
299 1 43 HIS HB2 1 44 ASP H . . 5.320 3.381 3.145 3.680 . 0 0 "[ . 1 . 2]" 1
300 1 41 PRO HD2 1 44 ASP H . . 4.850 4.412 4.226 4.562 . 0 0 "[ . 1 . 2]" 1
301 1 42 PRO HA 1 44 ASP H . . 5.000 4.866 4.776 4.994 . 0 0 "[ . 1 . 2]" 1
302 1 44 ASP H 1 45 ARG HA . . 5.410 4.941 4.931 4.964 . 0 0 "[ . 1 . 2]" 1
303 1 39 SER HB3 1 40 GLY H . . 4.600 3.559 2.521 4.322 . 0 0 "[ . 1 . 2]" 1
304 1 38 THR H 1 38 THR MG . . 4.600 3.849 3.795 3.906 . 0 0 "[ . 1 . 2]" 1
305 1 37 SER HB3 1 38 THR H . . 4.340 2.877 1.962 3.798 . 0 0 "[ . 1 . 2]" 1
306 1 37 SER HA 1 38 THR H . . 2.960 2.583 2.442 2.651 . 0 0 "[ . 1 . 2]" 1
307 1 37 SER H 1 48 THR MG . . 5.500 5.193 4.939 5.453 . 0 0 "[ . 1 . 2]" 1
308 1 36 LEU HG 1 37 SER H . . 5.110 4.893 4.781 5.076 . 0 0 "[ . 1 . 2]" 1
309 1 37 SER H 1 48 THR H . . 5.500 5.343 5.215 5.502 0.002 7 0 "[ . 1 . 2]" 1
310 1 36 LEU H 1 48 THR MG . . 4.730 4.578 4.187 4.732 0.002 14 0 "[ . 1 . 2]" 1
311 1 36 LEU H 1 48 THR HB . . 4.580 4.340 4.093 4.483 . 0 0 "[ . 1 . 2]" 1
312 1 36 LEU H 1 37 SER H . . 4.840 4.534 4.474 4.594 . 0 0 "[ . 1 . 2]" 1
313 1 35 GLU H 1 36 LEU H . . 5.040 4.382 4.168 4.524 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU H 1 48 THR H . . 5.160 4.851 4.617 5.158 . 0 0 "[ . 1 . 2]" 1
315 1 34 LYS HG2 1 35 GLU H . . 4.400 3.437 2.679 4.091 . 0 0 "[ . 1 . 2]" 1
316 1 34 LYS HB3 1 35 GLU H . . 4.270 3.975 3.525 4.145 . 0 0 "[ . 1 . 2]" 1
317 1 35 GLU H 1 49 PHE QE . . 4.980 4.455 3.987 4.785 . 0 0 "[ . 1 . 2]" 1
318 1 34 LYS H 1 51 VAL MG1 . . 5.500 4.979 4.836 5.088 . 0 0 "[ . 1 . 2]" 1
319 1 34 LYS H 1 52 LEU MD1 . . 4.480 2.727 2.433 2.823 . 0 0 "[ . 1 . 2]" 1
320 1 32 THR MG 1 34 LYS H . . 4.480 3.394 3.318 3.508 . 0 0 "[ . 1 . 2]" 1
321 1 34 LYS H 1 34 LYS HG3 . . 4.570 4.388 4.295 4.437 . 0 0 "[ . 1 . 2]" 1
322 1 34 LYS H 1 50 GLN HG2 . . 4.840 3.201 2.993 3.790 . 0 0 "[ . 1 . 2]" 1
323 1 34 LYS H 1 50 GLN HG3 . . 4.810 3.404 3.281 3.561 . 0 0 "[ . 1 . 2]" 1
324 1 33 TYR HB3 1 34 LYS H . . 4.290 3.768 3.705 3.788 . 0 0 "[ . 1 . 2]" 1
325 1 33 TYR QD 1 34 LYS H . . 5.140 4.744 4.676 4.794 . 0 0 "[ . 1 . 2]" 1
326 1 34 LYS H 1 49 PHE QD . . 4.760 4.551 4.376 4.759 . 0 0 "[ . 1 . 2]" 1
327 1 34 LYS H 1 35 GLU H . . 5.080 4.515 4.426 4.606 . 0 0 "[ . 1 . 2]" 1
328 1 34 LYS H 1 51 VAL H . . 5.300 5.006 4.934 5.076 . 0 0 "[ . 1 . 2]" 1
329 1 33 TYR H 1 33 TYR QE . . 4.530 4.424 4.284 4.509 . 0 0 "[ . 1 . 2]" 1
330 1 32 THR H 1 52 LEU H . . 3.600 2.370 2.254 2.502 . 0 0 "[ . 1 . 2]" 1
331 1 31 ILE HB 1 32 THR H . . 4.750 4.064 3.981 4.149 . 0 0 "[ . 1 . 2]" 1
332 1 32 THR H 1 52 LEU HB3 . . 4.370 4.092 3.961 4.160 . 0 0 "[ . 1 . 2]" 1
333 1 33 TYR H 1 34 LYS H . . 4.440 4.205 4.166 4.253 . 0 0 "[ . 1 . 2]" 1
334 1 29 VAL HB 1 31 ILE H . . 5.500 5.190 5.081 5.302 . 0 0 "[ . 1 . 2]" 1
335 1 24 ARG HD3 1 31 ILE H . . 4.840 3.815 3.480 4.164 . 0 0 "[ . 1 . 2]" 1
336 1 30 ALA H 1 31 ILE H . . 4.640 4.235 4.151 4.319 . 0 0 "[ . 1 . 2]" 1
337 1 31 ILE H 1 32 THR H . . 4.760 4.473 4.416 4.530 . 0 0 "[ . 1 . 2]" 1
338 1 29 VAL H 1 30 ALA H . . 4.580 4.491 4.445 4.526 . 0 0 "[ . 1 . 2]" 1
339 1 27 HIS HB2 1 29 VAL H . . 4.490 3.685 3.425 3.931 . 0 0 "[ . 1 . 2]" 1
340 1 27 HIS HB3 1 29 VAL H . . 4.910 4.273 3.763 4.518 . 0 0 "[ . 1 . 2]" 1
341 1 28 GLY H 1 29 VAL MG2 . . 4.480 3.402 3.121 3.703 . 0 0 "[ . 1 . 2]" 1
342 1 27 HIS HB2 1 28 GLY H . . 4.380 2.736 2.510 3.075 . 0 0 "[ . 1 . 2]" 1
343 1 27 HIS HB3 1 28 GLY H . . 4.710 3.432 3.142 3.757 . 0 0 "[ . 1 . 2]" 1
344 1 27 HIS H 1 29 VAL MG2 . . 4.540 4.236 4.019 4.453 . 0 0 "[ . 1 . 2]" 1
345 1 27 HIS H 1 29 VAL MG1 . . 4.910 4.736 4.386 4.894 . 0 0 "[ . 1 . 2]" 1
346 1 26 MET HG3 1 27 HIS H . . 5.170 4.484 2.609 4.932 . 0 0 "[ . 1 . 2]" 1
347 1 27 HIS H 1 29 VAL H . . 4.530 4.343 4.079 4.530 0.000 8 0 "[ . 1 . 2]" 1
348 1 26 MET H 1 28 GLY H . . 4.590 3.811 3.441 4.232 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG H 1 26 MET H . . 5.500 3.925 3.751 4.480 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG HD3 1 25 GLN H . . 5.500 4.763 4.517 4.978 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG H 1 24 ARG HG3 . . 4.140 3.828 3.728 3.911 . 0 0 "[ . 1 . 2]" 1
352 1 23 TYR H 1 31 ILE MD . . 4.990 4.210 4.028 4.426 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU HB3 1 23 TYR H . . 5.050 4.948 4.849 5.050 . 17 0 "[ . 1 . 2]" 1
354 1 20 LEU MD2 1 23 TYR H . . 5.500 4.836 4.639 5.066 . 0 0 "[ . 1 . 2]" 1
355 1 19 LYS HA 1 23 TYR H . . 5.110 4.664 4.483 4.825 . 0 0 "[ . 1 . 2]" 1
356 1 21 ASN HA 1 23 TYR H . . 4.960 3.845 3.682 4.156 . 0 0 "[ . 1 . 2]" 1
357 1 22 LYS H 1 24 ARG H . . 4.980 4.091 3.782 4.310 . 0 0 "[ . 1 . 2]" 1
358 1 20 LEU MD2 1 21 ASN H . . 5.500 4.490 4.394 4.628 . 0 0 "[ . 1 . 2]" 1
359 1 21 ASN H 1 31 ILE MG . . 5.500 4.986 4.487 5.359 . 0 0 "[ . 1 . 2]" 1
360 1 21 ASN H 1 31 ILE MD . . 5.490 3.566 3.334 3.810 . 0 0 "[ . 1 . 2]" 1
361 1 21 ASN H 1 22 LYS QB . . 4.820 4.662 4.550 4.820 0.000 4 0 "[ . 1 . 2]" 1
362 1 19 LYS HA 1 21 ASN H . . 5.140 4.851 4.585 5.090 . 0 0 "[ . 1 . 2]" 1
363 1 17 MET HA 1 21 ASN H . . 4.630 4.485 4.172 4.631 0.001 4 0 "[ . 1 . 2]" 1
364 1 21 ASN H 1 24 ARG H . . 4.900 4.593 4.520 4.707 . 0 0 "[ . 1 . 2]" 1
365 1 18 ASP HA 1 20 LEU H . . 4.800 4.268 4.042 4.603 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU H 1 21 ASN QB . . 4.890 4.617 4.425 4.775 . 0 0 "[ . 1 . 2]" 1
367 1 17 MET QG 1 20 LEU H . . 5.500 5.470 5.396 5.504 0.004 15 0 "[ . 1 . 2]" 1
368 1 17 MET QG 1 75 LYS H . . 5.500 5.412 5.292 5.501 0.001 12 0 "[ . 1 . 2]" 1
369 1 75 LYS H 1 76 LEU HG . . 4.450 4.291 4.154 4.453 0.003 13 0 "[ . 1 . 2]" 1
370 1 17 MET H 1 19 LYS H . . 4.400 4.211 4.052 4.395 . 0 0 "[ . 1 . 2]" 1
371 1 19 LYS H 1 78 VAL MG2 . . 4.750 4.337 4.226 4.549 . 0 0 "[ . 1 . 2]" 1
372 1 16 TYR H 1 78 VAL MG2 . . 5.500 5.208 5.023 5.339 . 0 0 "[ . 1 . 2]" 1
373 1 16 TYR H 1 74 ALA MB . . 4.780 4.486 4.156 4.699 . 0 0 "[ . 1 . 2]" 1
374 1 16 TYR H 1 71 ASN HA . . 5.090 4.639 4.367 4.994 . 0 0 "[ . 1 . 2]" 1
375 1 16 TYR H 1 18 ASP H . . 4.410 4.158 3.982 4.410 . 0 0 "[ . 1 . 2]" 1
376 1 11 ASP H 1 12 THR H . . 3.860 3.317 2.307 3.847 . 0 0 "[ . 1 . 2]" 1
377 1 12 THR H 1 13 PRO HD2 . . 4.990 4.798 4.733 4.842 . 0 0 "[ . 1 . 2]" 1
378 1 12 THR H 1 12 THR HB . . 3.330 2.827 2.472 3.156 . 0 0 "[ . 1 . 2]" 1
379 1 51 VAL H 1 77 ALA MB . . 4.380 4.275 4.104 4.364 . 0 0 "[ . 1 . 2]" 1
380 1 34 LYS H 1 52 LEU H . . 4.800 4.558 4.249 4.702 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE HA 1 52 LEU H . . 4.160 3.883 3.774 3.987 . 0 0 "[ . 1 . 2]" 1
382 1 33 TYR HA 1 52 LEU H . . 3.850 3.773 3.623 3.852 0.002 16 0 "[ . 1 . 2]" 1
383 1 31 ILE MG 1 52 LEU H . . 4.270 3.062 2.839 3.187 . 0 0 "[ . 1 . 2]" 1
384 1 51 VAL HB 1 52 LEU H . . 4.150 3.782 3.706 3.846 . 0 0 "[ . 1 . 2]" 1
385 1 52 LEU H 1 53 ILE H . . 4.390 4.102 4.071 4.167 . 0 0 "[ . 1 . 2]" 1
386 1 53 ILE H 1 58 PHE QD . . 4.220 2.616 2.525 2.762 . 0 0 "[ . 1 . 2]" 1
387 1 53 ILE H 1 58 PHE HZ . . 4.880 4.775 4.627 4.876 . 0 0 "[ . 1 . 2]" 1
388 1 53 ILE H 1 57 GLU HA . . 5.060 4.807 4.678 4.937 . 0 0 "[ . 1 . 2]" 1
389 1 51 VAL MG1 1 53 ILE H . . 4.320 3.613 3.458 3.786 . 0 0 "[ . 1 . 2]" 1
390 1 53 ILE H 1 53 ILE MD . . 4.360 3.494 3.417 3.663 . 0 0 "[ . 1 . 2]" 1
391 1 53 ILE H 1 53 ILE MG . . 4.100 3.873 3.855 3.905 . 0 0 "[ . 1 . 2]" 1
392 1 54 ASP H 1 55 GLU H . . 4.420 2.785 2.682 2.927 . 0 0 "[ . 1 . 2]" 1
393 1 55 GLU H 1 56 LYS H . . 3.230 2.635 2.590 2.716 . 0 0 "[ . 1 . 2]" 1
394 1 54 ASP H 1 56 LYS H . . 5.040 4.043 3.900 4.211 . 0 0 "[ . 1 . 2]" 1
395 1 52 LEU MD2 1 56 LYS H . . 4.460 4.231 3.928 4.464 0.004 10 0 "[ . 1 . 2]" 1
396 1 56 LYS H 1 56 LYS HG3 . . 4.780 4.624 4.555 4.693 . 0 0 "[ . 1 . 2]" 1
397 1 52 LEU HB3 1 56 LYS H . . 4.820 3.587 3.311 3.797 . 0 0 "[ . 1 . 2]" 1
398 1 56 LYS H 1 56 LYS QD . . 4.830 4.576 4.503 4.726 . 0 0 "[ . 1 . 2]" 1
399 1 52 LEU MD2 1 57 GLU H . . 4.730 4.578 4.389 4.708 . 0 0 "[ . 1 . 2]" 1
400 1 51 VAL MG1 1 58 PHE H . . 5.400 5.073 4.866 5.286 . 0 0 "[ . 1 . 2]" 1
401 1 51 VAL HB 1 58 PHE H . . 5.180 5.048 4.961 5.155 . 0 0 "[ . 1 . 2]" 1
402 1 50 GLN HG3 1 58 PHE H . . 4.300 4.260 4.022 4.305 0.005 10 0 "[ . 1 . 2]" 1
403 1 58 PHE H 1 59 PRO HD3 . . 5.340 5.085 5.081 5.089 . 0 0 "[ . 1 . 2]" 1
404 1 58 PHE H 1 58 PHE QE . . 4.800 4.788 4.762 4.804 0.004 20 0 "[ . 1 . 2]" 1
405 1 50 GLN HE21 1 58 PHE H . . 5.270 3.040 2.689 3.369 . 0 0 "[ . 1 . 2]" 1
406 1 50 GLN HE22 1 58 PHE H . . 5.270 4.256 3.754 4.738 . 0 0 "[ . 1 . 2]" 1
407 1 51 VAL H 1 58 PHE H . . 4.570 4.242 4.040 4.494 . 0 0 "[ . 1 . 2]" 1
408 1 59 PRO HA 1 60 GLU H . . 2.790 2.196 2.179 2.221 . 0 0 "[ . 1 . 2]" 1
409 1 48 THR MG 1 60 GLU H . . 4.970 4.790 4.698 4.891 . 0 0 "[ . 1 . 2]" 1
410 1 61 ALA H 1 76 LEU MD1 . . 5.170 4.417 4.141 4.737 . 0 0 "[ . 1 . 2]" 1
411 1 60 GLU HG3 1 61 ALA H . . 4.570 3.946 3.100 4.493 . 0 0 "[ . 1 . 2]" 1
412 1 60 GLU HG2 1 61 ALA H . . 4.570 3.441 3.162 4.153 . 0 0 "[ . 1 . 2]" 1
413 1 61 ALA H 1 73 ALA HA . . 5.180 3.954 3.674 4.210 . 0 0 "[ . 1 . 2]" 1
414 1 48 THR HA 1 61 ALA H . . 4.880 4.004 3.827 4.142 . 0 0 "[ . 1 . 2]" 1
415 1 61 ALA H 1 62 LYS H . . 4.580 4.372 4.344 4.395 . 0 0 "[ . 1 . 2]" 1
416 1 60 GLU H 1 61 ALA H . . 4.650 4.613 4.583 4.635 . 0 0 "[ . 1 . 2]" 1
417 1 69 ALA H 1 70 ARG H . . 2.760 2.707 2.570 2.761 0.001 5 0 "[ . 1 . 2]" 1
418 1 62 LYS H 1 63 GLY H . . 4.660 4.564 4.542 4.580 . 0 0 "[ . 1 . 2]" 1
419 1 46 ARG HD3 1 63 GLY H . . 5.500 4.088 3.771 5.026 . 0 0 "[ . 1 . 2]" 1
420 1 63 GLY H 1 69 ALA H . . 5.450 5.015 4.655 5.274 . 0 0 "[ . 1 . 2]" 1
421 1 62 LYS HG2 1 63 GLY H . . 4.660 3.969 3.768 4.124 . 0 0 "[ . 1 . 2]" 1
422 1 65 SER H 1 69 ALA MB . . 4.820 4.585 4.368 4.762 . 0 0 "[ . 1 . 2]" 1
423 1 65 SER H 1 69 ALA H . . 4.100 3.902 3.679 4.097 . 0 0 "[ . 1 . 2]" 1
424 1 66 LYS HB2 1 67 GLN H . . 4.660 2.850 2.259 3.656 . 0 0 "[ . 1 . 2]" 1
425 1 66 LYS HB3 1 67 GLN H . . 4.660 2.979 2.111 3.548 . 0 0 "[ . 1 . 2]" 1
426 1 68 GLU H 1 69 ALA H . . 3.200 2.841 2.674 2.997 . 0 0 "[ . 1 . 2]" 1
427 1 66 LYS HA 1 69 ALA H . . 4.580 3.835 3.572 4.000 . 0 0 "[ . 1 . 2]" 1
428 1 17 MET QG 1 71 ASN H . . 4.730 3.871 3.525 4.126 . 0 0 "[ . 1 . 2]" 1
429 1 67 GLN HA 1 71 ASN H . . 4.730 4.465 3.877 4.731 0.001 3 0 "[ . 1 . 2]" 1
430 1 72 ALA H 1 73 ALA H . . 3.200 2.886 2.724 3.111 . 0 0 "[ . 1 . 2]" 1
431 1 74 ALA H 1 76 LEU H . . 4.740 4.460 4.304 4.537 . 0 0 "[ . 1 . 2]" 1
432 1 76 LEU H 1 78 VAL H . . 4.980 4.636 4.567 4.709 . 0 0 "[ . 1 . 2]" 1
433 1 51 VAL HB 1 77 ALA H . . 5.490 5.153 5.021 5.279 . 0 0 "[ . 1 . 2]" 1
434 1 75 LYS HB3 1 77 ALA H . . 5.500 4.848 4.767 4.975 . 0 0 "[ . 1 . 2]" 1
435 1 77 ALA H 1 78 VAL HB . . 5.390 4.945 4.858 5.071 . 0 0 "[ . 1 . 2]" 1
436 1 75 LYS H 1 77 ALA H . . 5.500 4.106 4.024 4.185 . 0 0 "[ . 1 . 2]" 1
437 1 78 VAL H 1 81 LEU MD1 . . 5.500 3.806 3.526 4.111 . 0 0 "[ . 1 . 2]" 1
438 1 81 LEU MD2 1 82 ASP H . . 5.230 4.541 4.437 4.611 . 0 0 "[ . 1 . 2]" 1
439 1 74 ALA MB 1 78 VAL H . . 4.140 3.876 3.783 4.068 . 0 0 "[ . 1 . 2]" 1
440 1 78 VAL H 1 79 ASP HB2 . . 5.100 4.844 4.723 5.071 . 0 0 "[ . 1 . 2]" 1
441 1 75 LYS H 1 78 VAL H . . 5.500 4.901 4.855 4.979 . 0 0 "[ . 1 . 2]" 1
442 1 75 LYS HA 1 79 ASP H . . 4.260 4.108 3.981 4.229 . 0 0 "[ . 1 . 2]" 1
443 1 76 LEU H 1 79 ASP H . . 4.930 4.862 4.765 4.925 . 0 0 "[ . 1 . 2]" 1
444 1 80 ILE H 1 81 LEU MD1 . . 5.500 5.076 4.905 5.307 . 0 0 "[ . 1 . 2]" 1
445 1 77 ALA MB 1 80 ILE H . . 5.500 4.535 4.418 4.682 . 0 0 "[ . 1 . 2]" 1
446 1 78 VAL HA 1 80 ILE H . . 5.150 4.299 3.969 4.557 . 0 0 "[ . 1 . 2]" 1
447 1 80 ILE H 1 82 ASP H . . 4.470 4.322 4.126 4.447 . 0 0 "[ . 1 . 2]" 1
448 1 81 LEU H 1 83 ASN H . . 4.640 4.312 4.114 4.554 . 0 0 "[ . 1 . 2]" 1
449 1 83 ASN H 1 85 ASN H . . 4.390 4.176 3.898 4.296 . 0 0 "[ . 1 . 2]" 1
450 1 79 ASP HA 1 83 ASN H . . 5.500 5.128 3.870 5.500 . 0 0 "[ . 1 . 2]" 1
451 1 80 ILE MG 1 83 ASN H . . 4.890 4.278 4.080 4.801 . 0 0 "[ . 1 . 2]" 1
452 1 84 GLU H 1 85 ASN H . . 2.770 2.729 2.254 2.806 0.036 17 0 "[ . 1 . 2]" 1
453 1 81 LEU H 1 84 GLU H . . 5.040 4.437 4.287 4.858 . 0 0 "[ . 1 . 2]" 1
454 1 82 ASP HA 1 84 GLU H . . 4.670 4.527 3.994 4.675 0.005 13 0 "[ . 1 . 2]" 1
455 1 80 ILE HA 1 84 GLU H . . 4.590 4.214 3.714 4.423 . 0 0 "[ . 1 . 2]" 1
456 1 85 ASN H 1 86 LYS H . . 3.880 3.308 2.442 3.879 . 0 0 "[ . 1 . 2]" 1
457 1 86 LYS H 1 86 LYS HG2 . . 4.670 4.088 2.134 4.657 . 0 0 "[ . 1 . 2]" 1
458 1 86 LYS H 1 86 LYS HG3 . . 4.670 4.065 2.361 4.587 . 0 0 "[ . 1 . 2]" 1
459 1 87 VAL MG1 1 88 ASP H . . 5.500 3.495 2.114 4.197 . 0 0 "[ . 1 . 2]" 1
460 1 87 VAL MG2 1 88 ASP H . . 5.500 3.145 1.882 4.191 . 0 0 "[ . 1 . 2]" 1
461 1 87 VAL HB 1 88 ASP H . . 4.690 3.607 2.123 4.401 . 0 0 "[ . 1 . 2]" 1
462 1 46 ARG HA 1 47 PHE H . . 2.970 2.142 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
463 1 33 TYR HA 1 34 LYS H . . 3.040 2.165 2.152 2.169 . 0 0 "[ . 1 . 2]" 1
464 1 49 PHE QB 1 69 ALA MB . . 3.410 2.236 1.990 2.434 . 0 0 "[ . 1 . 2]" 1
465 1 80 ILE MD 1 81 LEU H . . 4.570 4.225 4.056 4.454 . 0 0 "[ . 1 . 2]" 1
466 1 58 PHE QD 1 80 ILE MD . . 3.240 2.223 1.943 2.416 . 0 0 "[ . 1 . 2]" 1
467 1 58 PHE HA 1 80 ILE MD . . 4.450 3.953 3.753 4.152 . 0 0 "[ . 1 . 2]" 1
468 1 77 ALA HA 1 80 ILE MD . . 3.560 2.489 2.024 2.765 . 0 0 "[ . 1 . 2]" 1
469 1 59 PRO HD3 1 80 ILE MD . . 3.470 3.179 2.930 3.377 . 0 0 "[ . 1 . 2]" 1
470 1 58 PHE HB3 1 80 ILE MD . . 4.460 4.013 3.815 4.156 . 0 0 "[ . 1 . 2]" 1
471 1 80 ILE HB 1 80 ILE MD . . 3.070 2.247 2.130 2.324 . 0 0 "[ . 1 . 2]" 1
472 1 59 PRO HG3 1 80 ILE MD . . 3.420 3.161 2.930 3.387 . 0 0 "[ . 1 . 2]" 1
473 1 20 LEU H 1 31 ILE MD . . 5.140 4.712 4.566 4.883 . 0 0 "[ . 1 . 2]" 1
474 1 23 TYR QD 1 31 ILE MD . . 3.770 3.253 2.882 3.594 . 0 0 "[ . 1 . 2]" 1
475 1 23 TYR QE 1 31 ILE MD . . 5.500 4.775 4.258 5.211 . 0 0 "[ . 1 . 2]" 1
476 1 29 VAL H 1 31 ILE MD . . 5.500 5.436 5.268 5.506 0.006 13 0 "[ . 1 . 2]" 1
477 1 21 ASN HA 1 31 ILE MD . . 4.180 2.888 2.632 3.163 . 0 0 "[ . 1 . 2]" 1
478 1 24 ARG HA 1 31 ILE MD . . 4.120 3.503 3.411 3.677 . 0 0 "[ . 1 . 2]" 1
479 1 23 TYR HB3 1 31 ILE MD . . 4.130 3.712 3.483 3.806 . 0 0 "[ . 1 . 2]" 1
480 1 24 ARG HB3 1 31 ILE MD . . 3.730 1.909 1.862 1.984 . 0 0 "[ . 1 . 2]" 1
481 1 24 ARG HG2 1 31 ILE MD . . 3.780 3.648 3.511 3.760 . 0 0 "[ . 1 . 2]" 1
482 1 24 ARG HB2 1 31 ILE MD . . 3.520 2.903 2.754 2.984 . 0 0 "[ . 1 . 2]" 1
483 1 31 ILE HB 1 31 ILE MD . . 3.340 2.556 2.466 2.662 . 0 0 "[ . 1 . 2]" 1
484 1 20 LEU HB3 1 31 ILE MD . . 3.090 1.958 1.819 2.152 . 0 0 "[ . 1 . 2]" 1
485 1 31 ILE MD 1 53 ILE HG13 . . 4.200 3.787 3.476 4.142 . 0 0 "[ . 1 . 2]" 1
486 1 53 ILE MD 1 58 PHE QD . . 3.700 3.438 3.294 3.638 . 0 0 "[ . 1 . 2]" 1
487 1 53 ILE MD 1 58 PHE HZ . . 3.440 2.539 2.251 2.732 . 0 0 "[ . 1 . 2]" 1
488 1 53 ILE MD 1 58 PHE QE . . 3.500 2.453 2.303 2.587 . 0 0 "[ . 1 . 2]" 1
489 1 23 TYR QD 1 53 ILE MD . . 4.740 4.300 3.873 4.660 . 0 0 "[ . 1 . 2]" 1
490 1 23 TYR QE 1 53 ILE MD . . 4.740 4.313 3.695 4.707 . 0 0 "[ . 1 . 2]" 1
491 1 53 ILE HA 1 53 ILE MD . . 3.960 3.929 3.902 3.960 0.000 7 0 "[ . 1 . 2]" 1
492 1 53 ILE HB 1 53 ILE MD . . 3.380 2.260 2.148 2.370 . 0 0 "[ . 1 . 2]" 1
493 1 53 ILE MD 1 81 LEU HG . . 3.890 3.438 3.255 3.686 . 0 0 "[ . 1 . 2]" 1
494 1 53 ILE MD 1 77 ALA MB . . 2.900 2.353 2.198 2.572 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLY HA3 1 69 ALA HA . . 4.200 2.050 1.999 2.221 . 0 0 "[ . 1 . 2]" 1
496 1 63 GLY HA2 1 69 ALA H . . 4.890 4.617 4.300 4.821 . 0 0 "[ . 1 . 2]" 1
497 1 52 LEU HB2 1 53 ILE H . . 4.700 4.417 4.372 4.441 . 0 0 "[ . 1 . 2]" 1
498 1 21 ASN HA 1 24 ARG HD2 . . 4.480 3.883 3.656 4.084 . 0 0 "[ . 1 . 2]" 1
499 1 24 ARG HA 1 24 ARG HD2 . . 5.080 4.627 4.480 4.794 . 0 0 "[ . 1 . 2]" 1
500 1 24 ARG HB3 1 24 ARG HD2 . . 3.490 3.073 2.839 3.343 . 0 0 "[ . 1 . 2]" 1
501 1 24 ARG HB2 1 24 ARG HD2 . . 3.400 2.445 2.263 2.637 . 0 0 "[ . 1 . 2]" 1
502 1 24 ARG HD2 1 31 ILE HB . . 3.900 3.254 2.963 3.686 . 0 0 "[ . 1 . 2]" 1
503 1 24 ARG HD2 1 31 ILE MD . . 4.520 3.544 3.135 3.872 . 0 0 "[ . 1 . 2]" 1
504 1 24 ARG HD2 1 31 ILE H . . 4.840 2.728 2.536 2.995 . 0 0 "[ . 1 . 2]" 1
505 1 24 ARG HD2 1 31 ILE HG13 . . 4.430 2.673 2.131 3.187 . 0 0 "[ . 1 . 2]" 1
506 1 21 ASN HA 1 24 ARG HD3 . . 4.480 2.345 1.999 2.619 . 0 0 "[ . 1 . 2]" 1
507 1 24 ARG HB3 1 24 ARG HD3 . . 3.490 2.567 2.367 2.809 . 0 0 "[ . 1 . 2]" 1
508 1 24 ARG HB2 1 24 ARG HD3 . . 3.400 3.025 2.734 3.262 . 0 0 "[ . 1 . 2]" 1
509 1 24 ARG HD3 1 31 ILE HB . . 3.900 2.992 2.643 3.338 . 0 0 "[ . 1 . 2]" 1
510 1 24 ARG HD3 1 31 ILE HG13 . . 4.430 2.867 2.483 3.405 . 0 0 "[ . 1 . 2]" 1
511 1 24 ARG HD3 1 31 ILE MD . . 4.520 2.635 2.231 3.104 . 0 0 "[ . 1 . 2]" 1
512 1 41 PRO HB2 1 43 HIS HE1 . . 4.210 2.617 2.246 2.862 . 0 0 "[ . 1 . 2]" 1
513 1 41 PRO HG3 1 43 HIS HE1 . . 4.480 3.313 2.254 3.912 . 0 0 "[ . 1 . 2]" 1
514 1 41 PRO HG2 1 43 HIS HE1 . . 4.480 3.981 3.127 4.474 . 0 0 "[ . 1 . 2]" 1
515 1 41 PRO HB3 1 43 HIS HE1 . . 4.210 2.797 2.470 3.053 . 0 0 "[ . 1 . 2]" 1
516 1 64 ARG HB2 1 64 ARG QD . . 3.480 2.629 2.150 3.419 . 0 0 "[ . 1 . 2]" 1
517 1 64 ARG HB3 1 64 ARG QD . . 3.480 2.543 2.127 3.375 . 0 0 "[ . 1 . 2]" 1
518 1 42 PRO HA 1 45 ARG HD3 . . 4.800 4.712 4.307 4.803 0.003 14 0 "[ . 1 . 2]" 1
519 1 45 ARG HD2 1 46 ARG H . . 4.860 4.599 4.266 4.832 . 0 0 "[ . 1 . 2]" 1
520 1 42 PRO HA 1 45 ARG HD2 . . 5.350 5.200 4.947 5.313 . 0 0 "[ . 1 . 2]" 1
521 1 67 GLN HA 1 70 ARG HD2 . . 4.510 3.649 2.990 4.050 . 0 0 "[ . 1 . 2]" 1
522 1 17 MET ME 1 70 ARG HD2 . . 3.990 2.638 2.263 3.047 . 0 0 "[ . 1 . 2]" 1
523 1 70 ARG HB2 1 70 ARG HD2 . . 3.940 2.781 2.582 2.897 . 0 0 "[ . 1 . 2]" 1
524 1 70 ARG HB3 1 70 ARG HD2 . . 3.970 2.885 2.752 3.051 . 0 0 "[ . 1 . 2]" 1
525 1 33 TYR QD 1 70 ARG HD3 . . 4.800 3.016 2.656 3.385 . 0 0 "[ . 1 . 2]" 1
526 1 17 MET ME 1 70 ARG HD3 . . 3.900 2.282 1.980 2.681 . 0 0 "[ . 1 . 2]" 1
527 1 70 ARG HB2 1 70 ARG HD3 . . 4.020 3.218 3.050 3.342 . 0 0 "[ . 1 . 2]" 1
528 1 70 ARG HB3 1 70 ARG HD3 . . 3.890 2.278 2.182 2.402 . 0 0 "[ . 1 . 2]" 1
529 1 46 ARG H 1 46 ARG HD3 . . 5.010 4.483 3.898 4.701 . 0 0 "[ . 1 . 2]" 1
530 1 46 ARG HD3 1 64 ARG HA . . 4.010 2.551 2.011 3.202 . 0 0 "[ . 1 . 2]" 1
531 1 46 ARG HD3 1 62 LYS HB3 . . 4.380 4.080 3.774 4.380 . 0 0 "[ . 1 . 2]" 1
532 1 46 ARG HB2 1 46 ARG HD3 . . 3.860 3.734 3.650 3.863 0.003 20 0 "[ . 1 . 2]" 1
533 1 46 ARG HB3 1 46 ARG HD3 . . 3.780 2.760 2.520 3.150 . 0 0 "[ . 1 . 2]" 1
534 1 46 ARG HB2 1 46 ARG HD2 . . 3.790 3.585 3.493 3.728 . 0 0 "[ . 1 . 2]" 1
535 1 46 ARG HD2 1 64 ARG HA . . 4.420 3.891 3.392 4.197 . 0 0 "[ . 1 . 2]" 1
536 1 46 ARG HD2 1 62 LYS HB3 . . 3.720 2.797 2.320 3.164 . 0 0 "[ . 1 . 2]" 1
537 1 46 ARG HB3 1 46 ARG HD2 . . 3.360 2.414 2.255 2.595 . 0 0 "[ . 1 . 2]" 1
538 1 75 LYS HE2 1 75 LYS HG2 . . 4.080 2.803 2.185 3.649 . 0 0 "[ . 1 . 2]" 1
539 1 75 LYS HE2 1 75 LYS HG3 . . 4.080 3.141 2.390 3.934 . 0 0 "[ . 1 . 2]" 1
540 1 75 LYS HE3 1 75 LYS HG3 . . 4.080 3.149 2.459 3.752 . 0 0 "[ . 1 . 2]" 1
541 1 22 LYS HA 1 22 LYS QE . . 4.890 4.607 4.139 4.824 . 0 0 "[ . 1 . 2]" 1
542 1 22 LYS QE 1 22 LYS HG3 . . 3.370 2.653 2.139 3.391 0.021 2 0 "[ . 1 . 2]" 1
543 1 62 LYS QE 1 62 LYS HG2 . . 3.020 2.410 2.112 2.665 . 0 0 "[ . 1 . 2]" 1
544 1 34 LYS HA 1 34 LYS QE . . 4.900 4.686 3.820 4.899 . 0 0 "[ . 1 . 2]" 1
545 1 34 LYS HD3 1 34 LYS QE . . 2.800 2.236 2.155 2.425 . 0 0 "[ . 1 . 2]" 1
546 1 34 LYS QE 1 34 LYS HG2 . . 3.280 2.197 2.087 2.590 . 0 0 "[ . 1 . 2]" 1
547 1 34 LYS QE 1 36 LEU MD2 . . 3.440 3.218 3.091 3.367 . 0 0 "[ . 1 . 2]" 1
548 1 66 LYS HE2 1 66 LYS HG2 . . 4.100 3.024 2.116 3.799 . 0 0 "[ . 1 . 2]" 1
549 1 22 LYS QE 1 22 LYS HG2 . . 3.370 2.648 2.168 3.337 . 0 0 "[ . 1 . 2]" 1
550 1 66 LYS HE3 1 66 LYS HG3 . . 4.100 3.225 2.318 4.106 0.006 20 0 "[ . 1 . 2]" 1
551 1 56 LYS QE 1 56 LYS HG2 . . 3.590 2.691 2.115 3.434 . 0 0 "[ . 1 . 2]" 1
552 1 56 LYS QE 1 58 PHE HZ . . 3.960 3.633 3.206 3.955 . 0 0 "[ . 1 . 2]" 1
553 1 81 LEU H 1 81 LEU HB2 . . 3.890 2.735 2.659 2.820 . 0 0 "[ . 1 . 2]" 1
554 1 81 LEU HB3 1 82 ASP H . . 4.250 3.539 3.402 3.787 . 0 0 "[ . 1 . 2]" 1
555 1 78 VAL HA 1 81 LEU HB3 . . 4.480 4.349 4.190 4.467 . 0 0 "[ . 1 . 2]" 1
556 1 47 PHE H 1 47 PHE HB2 . . 4.130 2.640 2.500 2.699 . 0 0 "[ . 1 . 2]" 1
557 1 47 PHE HB2 1 49 PHE QE . . 3.740 3.166 2.883 3.370 . 0 0 "[ . 1 . 2]" 1
558 1 47 PHE HB2 1 49 PHE QD . . 3.560 3.492 3.298 3.554 . 0 0 "[ . 1 . 2]" 1
559 1 16 TYR QD 1 19 LYS HE2 . . 4.010 2.435 1.989 3.775 . 0 0 "[ . 1 . 2]" 1
560 1 16 TYR QD 1 19 LYS HE3 . . 4.010 2.107 1.996 3.307 . 0 0 "[ . 1 . 2]" 1
561 1 16 TYR QE 1 19 LYS HE3 . . 4.500 3.207 2.791 3.544 . 0 0 "[ . 1 . 2]" 1
562 1 47 PHE HB3 1 49 PHE QE . . 3.740 2.500 2.228 2.649 . 0 0 "[ . 1 . 2]" 1
563 1 47 PHE HB3 1 49 PHE QD . . 3.560 3.466 3.224 3.560 . 0 0 "[ . 1 . 2]" 1
564 1 76 LEU HB3 1 77 ALA H . . 3.880 3.873 3.844 3.887 0.007 7 0 "[ . 1 . 2]" 1
565 1 76 LEU H 1 76 LEU HB3 . . 3.690 3.581 3.575 3.590 . 0 0 "[ . 1 . 2]" 1
566 1 76 LEU HB2 1 76 LEU MD1 . . 3.180 2.253 2.135 2.338 . 0 0 "[ . 1 . 2]" 1
567 1 76 LEU HB2 1 77 ALA H . . 3.840 2.671 2.590 2.737 . 0 0 "[ . 1 . 2]" 1
568 1 20 LEU HB2 1 78 VAL MG2 . . 4.330 4.013 3.828 4.219 . 0 0 "[ . 1 . 2]" 1
569 1 20 LEU HB2 1 20 LEU MD1 . . 3.560 2.212 2.061 2.376 . 0 0 "[ . 1 . 2]" 1
570 1 20 LEU H 1 20 LEU HB3 . . 3.550 3.507 3.480 3.531 . 0 0 "[ . 1 . 2]" 1
571 1 17 MET HA 1 20 LEU HB3 . . 4.690 4.460 4.207 4.653 . 0 0 "[ . 1 . 2]" 1
572 1 20 LEU HB3 1 78 VAL MG2 . . 4.680 4.471 4.293 4.681 0.001 13 0 "[ . 1 . 2]" 1
573 1 79 ASP HA 1 82 ASP HB2 . . 4.340 3.859 2.815 4.340 . 0 0 "[ . 1 . 2]" 1
574 1 78 VAL MG1 1 82 ASP HB2 . . 4.880 3.751 3.164 4.059 . 0 0 "[ . 1 . 2]" 1
575 1 82 ASP H 1 82 ASP HB3 . . 3.540 2.674 2.383 3.553 0.013 13 0 "[ . 1 . 2]" 1
576 1 78 VAL MG1 1 82 ASP HB3 . . 4.880 4.663 4.275 4.873 . 0 0 "[ . 1 . 2]" 1
577 1 79 ASP HA 1 82 ASP HB3 . . 4.340 3.596 3.236 4.345 0.005 13 0 "[ . 1 . 2]" 1
578 1 18 ASP H 1 18 ASP HB3 . . 3.610 3.522 3.495 3.572 . 0 0 "[ . 1 . 2]" 1
579 1 12 THR HB 1 15 PHE HB3 . . 3.900 3.760 3.401 3.901 0.001 11 0 "[ . 1 . 2]" 1
580 1 76 LEU HA 1 79 ASP HB2 . . 3.780 2.929 2.564 3.246 . 0 0 "[ . 1 . 2]" 1
581 1 79 ASP HB3 1 80 ILE H . . 4.390 2.908 2.402 3.514 . 0 0 "[ . 1 . 2]" 1
582 1 32 THR H 1 32 THR HB . . 3.410 2.629 2.586 2.725 . 0 0 "[ . 1 . 2]" 1
583 1 32 THR HB 1 52 LEU H . . 4.170 3.705 3.531 3.927 . 0 0 "[ . 1 . 2]" 1
584 1 32 THR HB 1 52 LEU HB2 . . 3.000 2.196 2.030 2.383 . 0 0 "[ . 1 . 2]" 1
585 1 32 THR HB 1 52 LEU HB3 . . 3.580 3.536 3.409 3.581 0.001 5 0 "[ . 1 . 2]" 1
586 1 32 THR HB 1 52 LEU MD1 . . 3.780 3.158 2.889 3.376 . 0 0 "[ . 1 . 2]" 1
587 1 31 ILE HA 1 32 THR HB . . 4.660 4.407 4.372 4.511 . 0 0 "[ . 1 . 2]" 1
588 1 71 ASN HB2 1 72 ALA H . . 4.140 3.727 3.543 3.946 . 0 0 "[ . 1 . 2]" 1
589 1 71 ASN H 1 71 ASN HB2 . . 3.350 2.415 2.270 2.579 . 0 0 "[ . 1 . 2]" 1
590 1 33 TYR HB2 1 49 PHE QD . . 4.590 4.463 4.233 4.593 0.003 14 0 "[ . 1 . 2]" 1
591 1 33 TYR HB3 1 49 PHE QE . . 4.480 4.072 3.748 4.269 . 0 0 "[ . 1 . 2]" 1
592 1 33 TYR HB3 1 49 PHE QD . . 3.880 3.005 2.801 3.190 . 0 0 "[ . 1 . 2]" 1
593 1 21 ASN HA 1 31 ILE HB . . 5.420 4.730 4.258 4.945 . 0 0 "[ . 1 . 2]" 1
594 1 31 ILE HB 1 32 THR HA . . 5.500 4.610 4.510 4.696 . 0 0 "[ . 1 . 2]" 1
595 1 38 THR HB 1 39 SER H . . 4.320 3.887 3.481 4.212 . 0 0 "[ . 1 . 2]" 1
596 1 38 THR HB 1 45 ARG QG . . 4.930 4.864 4.695 4.929 . 0 0 "[ . 1 . 2]" 1
597 1 20 LEU HA 1 23 TYR HB3 . . 3.530 2.814 2.692 2.911 . 0 0 "[ . 1 . 2]" 1
598 1 23 TYR HB2 1 24 ARG H . . 4.220 4.083 3.979 4.193 . 0 0 "[ . 1 . 2]" 1
599 1 23 TYR HB2 1 31 ILE MD . . 5.290 5.214 4.984 5.293 0.003 6 0 "[ . 1 . 2]" 1
600 1 48 THR HB 1 49 PHE H . . 4.600 3.846 3.726 4.057 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU HG 1 48 THR HB . . 4.400 3.980 3.705 4.224 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU MD1 1 48 THR HB . . 4.300 2.678 2.377 3.094 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU HB3 1 48 THR HB . . 3.930 3.152 2.919 3.567 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU HB2 1 48 THR HB . . 3.440 2.035 2.000 2.277 . 0 0 "[ . 1 . 2]" 1
605 1 58 PHE HB3 1 59 PRO HD2 . . 3.450 1.994 1.972 2.001 . 0 0 "[ . 1 . 2]" 1
606 1 51 VAL MG2 1 58 PHE HB3 . . 5.390 4.998 4.851 5.127 . 0 0 "[ . 1 . 2]" 1
607 1 51 VAL MG1 1 58 PHE HB3 . . 5.500 5.138 4.916 5.304 . 0 0 "[ . 1 . 2]" 1
608 1 58 PHE H 1 58 PHE HB3 . . 4.020 3.553 3.537 3.564 . 0 0 "[ . 1 . 2]" 1
609 1 58 PHE HB3 1 77 ALA HA . . 4.180 3.907 3.803 3.950 . 0 0 "[ . 1 . 2]" 1
610 1 58 PHE HB3 1 77 ALA MB . . 4.310 3.178 2.993 3.303 . 0 0 "[ . 1 . 2]" 1
611 1 80 ILE HB 1 81 LEU H . . 3.680 2.389 2.229 2.601 . 0 0 "[ . 1 . 2]" 1
612 1 58 PHE QE 1 80 ILE HB . . 4.020 2.104 2.000 2.283 . 0 0 "[ . 1 . 2]" 1
613 1 77 ALA HA 1 80 ILE HB . . 3.690 3.149 2.886 3.362 . 0 0 "[ . 1 . 2]" 1
614 1 21 ASN H 1 21 ASN QB . . 2.830 2.355 2.185 2.607 . 0 0 "[ . 1 . 2]" 1
615 1 21 ASN QB 1 22 LYS H . . 2.910 2.600 2.239 2.904 . 0 0 "[ . 1 . 2]" 1
616 1 18 ASP HA 1 21 ASN QB . . 3.330 3.224 2.954 3.334 0.004 10 0 "[ . 1 . 2]" 1
617 1 21 ASN QB 1 22 LYS QB . . 4.610 4.386 4.129 4.548 . 0 0 "[ . 1 . 2]" 1
618 1 53 ILE HB 1 58 PHE QD . . 4.310 4.143 4.007 4.265 . 0 0 "[ . 1 . 2]" 1
619 1 53 ILE HB 1 58 PHE HZ . . 3.450 3.308 3.169 3.438 . 0 0 "[ . 1 . 2]" 1
620 1 53 ILE HB 1 58 PHE QE . . 3.380 2.070 2.001 2.232 . 0 0 "[ . 1 . 2]" 1
621 1 12 THR HB 1 15 PHE QD . . 4.640 3.338 2.008 4.162 . 0 0 "[ . 1 . 2]" 1
622 1 12 THR HB 1 13 PRO HD3 . . 5.430 4.786 4.675 4.946 . 0 0 "[ . 1 . 2]" 1
623 1 12 THR HB 1 13 PRO HD2 . . 4.170 3.805 3.645 4.056 . 0 0 "[ . 1 . 2]" 1
624 1 12 THR HB 1 15 PHE HB2 . . 4.330 2.232 2.000 2.509 . 0 0 "[ . 1 . 2]" 1
625 1 16 TYR HB2 1 75 LYS HA . . 4.220 4.015 3.855 4.222 0.002 18 0 "[ . 1 . 2]" 1
626 1 16 TYR HB2 1 78 VAL MG2 . . 4.100 4.002 3.745 4.102 0.002 6 0 "[ . 1 . 2]" 1
627 1 16 TYR HB3 1 20 LEU H . . 5.290 4.798 4.568 5.134 . 0 0 "[ . 1 . 2]" 1
628 1 16 TYR HB3 1 75 LYS HA . . 3.540 3.367 3.237 3.542 0.002 14 0 "[ . 1 . 2]" 1
629 1 16 TYR HB3 1 78 VAL MG2 . . 3.920 2.473 2.177 2.627 . 0 0 "[ . 1 . 2]" 1
630 1 68 GLU H 1 68 GLU HG3 . . 4.610 4.509 4.205 4.620 0.010 5 0 "[ . 1 . 2]" 1
631 1 16 TYR QD 1 75 LYS HB2 . . 3.530 2.642 2.257 3.017 . 0 0 "[ . 1 . 2]" 1
632 1 23 TYR QD 1 24 ARG H . . 4.380 3.297 2.950 3.713 . 0 0 "[ . 1 . 2]" 1
633 1 23 TYR H 1 23 TYR QD . . 4.190 4.095 4.024 4.195 0.005 5 0 "[ . 1 . 2]" 1
634 1 23 TYR HA 1 23 TYR QD . . 3.610 3.105 2.963 3.196 . 0 0 "[ . 1 . 2]" 1
635 1 23 TYR QD 1 24 ARG HA . . 4.370 2.923 2.629 3.180 . 0 0 "[ . 1 . 2]" 1
636 1 23 TYR QD 1 29 VAL MG2 . . 3.220 2.717 2.469 2.946 . 0 0 "[ . 1 . 2]" 1
637 1 20 LEU MD2 1 23 TYR QD . . 4.530 3.954 3.642 4.286 . 0 0 "[ . 1 . 2]" 1
638 1 33 TYR QD 1 70 ARG HB3 . . 4.680 3.419 3.101 3.866 . 0 0 "[ . 1 . 2]" 1
639 1 31 ILE MG 1 33 TYR QD . . 4.050 3.366 3.015 3.767 . 0 0 "[ . 1 . 2]" 1
640 1 33 TYR QD 1 51 VAL MG2 . . 3.720 2.509 2.247 2.777 . 0 0 "[ . 1 . 2]" 1
641 1 33 TYR QD 1 70 ARG HG2 . . 4.240 2.748 2.234 3.050 . 0 0 "[ . 1 . 2]" 1
642 1 57 GLU HA 1 57 GLU HG3 . . 4.110 2.933 2.826 3.036 . 0 0 "[ . 1 . 2]" 1
643 1 56 LYS HA 1 57 GLU HG3 . . 4.610 4.462 4.368 4.532 . 0 0 "[ . 1 . 2]" 1
644 1 52 LEU HG 1 57 GLU HG3 . . 4.390 4.176 4.047 4.335 . 0 0 "[ . 1 . 2]" 1
645 1 57 GLU H 1 57 GLU HG2 . . 4.200 4.129 4.039 4.198 . 0 0 "[ . 1 . 2]" 1
646 1 52 LEU HG 1 57 GLU HG2 . . 3.810 3.145 2.980 3.267 . 0 0 "[ . 1 . 2]" 1
647 1 47 PHE QD 1 66 LYS HD2 . . 5.500 4.196 2.504 5.041 . 0 0 "[ . 1 . 2]" 1
648 1 47 PHE QD 1 66 LYS HD3 . . 5.500 3.177 1.997 4.155 . 0 0 "[ . 1 . 2]" 1
649 1 35 GLU HG2 1 49 PHE QE . . 4.790 4.230 3.362 4.790 0.000 10 0 "[ . 1 . 2]" 1
650 1 58 PHE QD 1 59 PRO HD3 . . 4.100 3.496 3.411 3.613 . 0 0 "[ . 1 . 2]" 1
651 1 58 PHE QD 1 59 PRO HG2 . . 5.420 3.958 3.879 4.012 . 0 0 "[ . 1 . 2]" 1
652 1 58 PHE QD 1 80 ILE HB . . 5.500 3.967 3.772 4.143 . 0 0 "[ . 1 . 2]" 1
653 1 57 GLU HA 1 58 PHE QD . . 4.410 3.792 3.672 3.901 . 0 0 "[ . 1 . 2]" 1
654 1 58 PHE QD 1 77 ALA MB . . 4.300 2.722 2.549 2.961 . 0 0 "[ . 1 . 2]" 1
655 1 34 LYS HB3 1 50 GLN HG3 . . 4.010 3.177 2.553 3.446 . 0 0 "[ . 1 . 2]" 1
656 1 34 LYS HB3 1 50 GLN HG2 . . 4.180 2.027 1.996 2.200 . 0 0 "[ . 1 . 2]" 1
657 1 34 LYS HB3 1 34 LYS HD3 . . 3.570 2.759 2.691 3.577 0.007 10 0 "[ . 1 . 2]" 1
658 1 34 LYS HB2 1 35 GLU H . . 4.610 4.334 4.096 4.468 . 0 0 "[ . 1 . 2]" 1
659 1 32 THR MG 1 34 LYS HB2 . . 3.590 3.301 3.202 3.523 . 0 0 "[ . 1 . 2]" 1
660 1 34 LYS HB2 1 52 LEU MD1 . . 3.640 2.205 1.841 2.356 . 0 0 "[ . 1 . 2]" 1
661 1 58 PHE QE 1 80 ILE MD . . 3.770 2.135 1.950 2.386 . 0 0 "[ . 1 . 2]" 1
662 1 58 PHE QE 1 77 ALA MB . . 4.260 2.987 2.861 3.190 . 0 0 "[ . 1 . 2]" 1
663 1 78 VAL HA 1 81 LEU HB2 . . 3.330 2.893 2.677 3.043 . 0 0 "[ . 1 . 2]" 1
664 1 78 VAL HA 1 78 VAL MG2 . . 3.100 2.391 2.309 2.464 . 0 0 "[ . 1 . 2]" 1
665 1 78 VAL HA 1 78 VAL MG1 . . 3.350 2.357 2.243 2.457 . 0 0 "[ . 1 . 2]" 1
666 1 78 VAL HA 1 81 LEU MD2 . . 4.310 4.233 4.089 4.314 0.004 13 0 "[ . 1 . 2]" 1
667 1 20 LEU MD2 1 78 VAL HA . . 4.340 3.337 2.918 3.676 . 0 0 "[ . 1 . 2]" 1
668 1 39 SER HB2 1 40 GLY H . . 4.600 3.985 2.591 4.436 . 0 0 "[ . 1 . 2]" 1
669 1 25 GLN HG2 1 26 MET H . . 4.790 3.144 2.345 4.786 . 0 0 "[ . 1 . 2]" 1
670 1 25 GLN HA 1 25 GLN HG2 . . 3.940 3.553 2.320 3.884 . 0 0 "[ . 1 . 2]" 1
671 1 42 PRO HA 1 45 ARG QG . . 3.880 3.640 3.441 3.789 . 0 0 "[ . 1 . 2]" 1
672 1 23 TYR QE 1 29 VAL HB . . 5.170 4.641 4.174 5.147 . 0 0 "[ . 1 . 2]" 1
673 1 56 LYS HB3 1 58 PHE QE . . 4.090 2.482 2.366 2.618 . 0 0 "[ . 1 . 2]" 1
674 1 56 LYS HB3 1 56 LYS QD . . 3.910 2.225 2.125 2.397 . 0 0 "[ . 1 . 2]" 1
675 1 53 ILE H 1 56 LYS HB2 . . 4.720 4.208 3.998 4.350 . 0 0 "[ . 1 . 2]" 1
676 1 56 LYS HB2 1 58 PHE QE . . 4.290 3.991 3.869 4.166 . 0 0 "[ . 1 . 2]" 1
677 1 58 PHE HZ 1 80 ILE MD . . 5.350 4.017 3.659 4.208 . 0 0 "[ . 1 . 2]" 1
678 1 50 GLN HB3 1 50 GLN HE22 . . 4.170 4.141 4.006 4.175 0.005 10 0 "[ . 1 . 2]" 1
679 1 50 GLN HB3 1 60 GLU HB3 . . 3.400 2.004 1.997 2.076 . 0 0 "[ . 1 . 2]" 1
680 1 36 LEU MD1 1 50 GLN HB2 . . 3.940 3.804 3.609 3.948 0.008 10 0 "[ . 1 . 2]" 1
681 1 67 GLN H 1 67 GLN QG . . 4.590 3.562 2.674 4.069 . 0 0 "[ . 1 . 2]" 1
682 1 51 VAL HB 1 58 PHE HB2 . . 3.800 3.249 3.153 3.373 . 0 0 "[ . 1 . 2]" 1
683 1 51 VAL HB 1 58 PHE HB3 . . 4.340 4.094 3.982 4.207 . 0 0 "[ . 1 . 2]" 1
684 1 51 VAL HB 1 58 PHE QD . . 4.540 4.027 3.873 4.155 . 0 0 "[ . 1 . 2]" 1
685 1 50 GLN HA 1 51 VAL HB . . 4.810 4.603 4.512 4.679 . 0 0 "[ . 1 . 2]" 1
686 1 80 ILE HA 1 83 ASN QB . . 4.030 3.373 2.199 3.717 . 0 0 "[ . 1 . 2]" 1
687 1 80 ILE HA 1 80 ILE HG13 . . 3.450 2.677 2.603 2.764 . 0 0 "[ . 1 . 2]" 1
688 1 80 ILE HA 1 80 ILE HG12 . . 3.360 2.718 2.636 2.812 . 0 0 "[ . 1 . 2]" 1
689 1 80 ILE HA 1 80 ILE MG . . 3.160 2.471 2.421 2.508 . 0 0 "[ . 1 . 2]" 1
690 1 59 PRO HB3 1 76 LEU MD1 . . 4.090 3.802 3.722 3.914 . 0 0 "[ . 1 . 2]" 1
691 1 59 PRO HB2 1 76 LEU HB2 . . 4.680 4.438 4.406 4.464 . 0 0 "[ . 1 . 2]" 1
692 1 23 TYR QE 1 27 HIS HB3 . . 4.730 4.086 3.769 4.411 . 0 0 "[ . 1 . 2]" 1
693 1 27 HIS HB3 1 29 VAL MG2 . . 4.010 3.795 3.500 3.971 . 0 0 "[ . 1 . 2]" 1
694 1 23 TYR QE 1 27 HIS HB2 . . 4.730 3.452 3.109 3.673 . 0 0 "[ . 1 . 2]" 1
695 1 27 HIS HB2 1 29 VAL MG1 . . 3.870 2.926 2.676 3.080 . 0 0 "[ . 1 . 2]" 1
696 1 27 HIS HB2 1 29 VAL MG2 . . 3.920 2.974 2.661 3.205 . 0 0 "[ . 1 . 2]" 1
697 1 19 LYS QB 1 20 LEU H . . 3.490 2.672 2.395 2.866 . 0 0 "[ . 1 . 2]" 1
698 1 16 TYR QD 1 19 LYS QB . . 4.030 3.312 3.095 3.698 . 0 0 "[ . 1 . 2]" 1
699 1 16 TYR HA 1 19 LYS QB . . 3.170 2.696 2.303 3.165 . 0 0 "[ . 1 . 2]" 1
700 1 22 LYS QB 1 22 LYS QE . . 4.200 3.197 1.990 3.778 . 0 0 "[ . 1 . 2]" 1
701 1 22 LYS QB 1 22 LYS HD2 . . 3.780 2.532 2.192 3.294 . 0 0 "[ . 1 . 2]" 1
702 1 26 MET H 1 26 MET HG2 . . 5.140 3.904 2.624 4.553 . 0 0 "[ . 1 . 2]" 1
703 1 26 MET HG2 1 27 HIS H . . 5.170 4.047 1.898 4.938 . 0 0 "[ . 1 . 2]" 1
704 1 16 TYR QD 1 78 VAL HB . . 3.660 2.977 2.716 3.224 . 0 0 "[ . 1 . 2]" 1
705 1 26 MET H 1 26 MET HG3 . . 5.140 3.929 2.872 4.526 . 0 0 "[ . 1 . 2]" 1
706 1 26 MET HA 1 26 MET HG3 . . 3.750 3.021 2.368 3.672 . 0 0 "[ . 1 . 2]" 1
707 1 49 PHE QE 1 66 LYS HB3 . . 5.030 3.940 3.198 4.967 . 0 0 "[ . 1 . 2]" 1
708 1 45 ARG HB3 1 45 ARG HD2 . . 4.150 2.595 2.332 2.719 . 0 0 "[ . 1 . 2]" 1
709 1 16 TYR H 1 17 MET QG . . 4.990 4.633 4.153 4.962 . 0 0 "[ . 1 . 2]" 1
710 1 17 MET QG 1 74 ALA H . . 5.420 4.264 4.079 4.646 . 0 0 "[ . 1 . 2]" 1
711 1 17 MET QG 1 74 ALA MB . . 3.240 2.617 2.467 2.844 . 0 0 "[ . 1 . 2]" 1
712 1 50 GLN HE22 1 57 GLU QB . . 3.900 3.285 2.936 3.738 . 0 0 "[ . 1 . 2]" 1
713 1 48 THR MG 1 60 GLU HB3 . . 3.660 3.279 3.158 3.407 . 0 0 "[ . 1 . 2]" 1
714 1 41 PRO HB2 1 42 PRO HD2 . . 3.960 2.013 1.998 2.051 . 0 0 "[ . 1 . 2]" 1
715 1 65 SER H 1 68 GLU QB . . 3.080 1.936 1.797 2.130 . 0 0 "[ . 1 . 2]" 1
716 1 63 GLY HA3 1 68 GLU QB . . 4.060 2.893 2.336 3.231 . 0 0 "[ . 1 . 2]" 1
717 1 63 GLY HA2 1 68 GLU QB . . 3.960 3.535 2.960 3.882 . 0 0 "[ . 1 . 2]" 1
718 1 68 GLU QB 1 69 ALA MB . . 4.490 3.835 3.763 3.911 . 0 0 "[ . 1 . 2]" 1
719 1 41 PRO HB3 1 42 PRO HD2 . . 3.960 2.694 2.687 2.712 . 0 0 "[ . 1 . 2]" 1
720 1 41 PRO HB3 1 42 PRO HD3 . . 3.960 3.736 3.727 3.758 . 0 0 "[ . 1 . 2]" 1
721 1 16 TYR HA 1 16 TYR QD . . 3.410 2.285 2.143 2.446 . 0 0 "[ . 1 . 2]" 1
722 1 16 TYR HA 1 19 LYS QD . . 4.280 3.930 3.441 4.179 . 0 0 "[ . 1 . 2]" 1
723 1 16 TYR HA 1 74 ALA MB . . 4.760 4.158 3.988 4.358 . 0 0 "[ . 1 . 2]" 1
724 1 16 TYR HA 1 19 LYS HG2 . . 4.170 4.082 3.802 4.171 0.001 20 0 "[ . 1 . 2]" 1
725 1 16 TYR HA 1 78 VAL MG2 . . 3.770 3.223 2.899 3.461 . 0 0 "[ . 1 . 2]" 1
726 1 23 TYR HA 1 26 MET H . . 3.600 3.306 3.159 3.421 . 0 0 "[ . 1 . 2]" 1
727 1 23 TYR HA 1 27 HIS H . . 3.940 3.634 3.445 3.928 . 0 0 "[ . 1 . 2]" 1
728 1 17 MET ME 1 70 ARG HB2 . . 4.330 3.381 3.029 3.661 . 0 0 "[ . 1 . 2]" 1
729 1 33 TYR QE 1 70 ARG HB3 . . 4.740 3.525 3.129 3.785 . 0 0 "[ . 1 . 2]" 1
730 1 15 PHE HA 1 18 ASP H . . 4.180 3.883 3.632 4.065 . 0 0 "[ . 1 . 2]" 1
731 1 15 PHE HA 1 15 PHE QD . . 3.650 2.755 2.295 3.085 . 0 0 "[ . 1 . 2]" 1
732 1 81 LEU HA 1 84 GLU QB . . 4.390 3.774 2.163 4.358 . 0 0 "[ . 1 . 2]" 1
733 1 49 PHE QE 1 66 LYS HD2 . . 3.740 2.619 1.995 3.641 . 0 0 "[ . 1 . 2]" 1
734 1 49 PHE QE 1 66 LYS HD3 . . 3.740 2.518 1.995 3.740 0.000 1 0 "[ . 1 . 2]" 1
735 1 38 THR HA 1 47 PHE HA . . 3.690 2.747 2.454 3.049 . 0 0 "[ . 1 . 2]" 1
736 1 35 GLU HB2 1 49 PHE QE . . 4.410 2.575 2.092 2.782 . 0 0 "[ . 1 . 2]" 1
737 1 34 LYS HA 1 34 LYS HD3 . . 4.400 4.305 3.823 4.356 . 0 0 "[ . 1 . 2]" 1
738 1 35 GLU HB3 1 49 PHE QE . . 4.410 4.228 3.758 4.414 0.004 3 0 "[ . 1 . 2]" 1
739 1 51 VAL HA 1 51 VAL MG1 . . 3.620 2.363 2.268 2.445 . 0 0 "[ . 1 . 2]" 1
740 1 32 THR H 1 51 VAL HA . . 4.850 4.287 4.115 4.450 . 0 0 "[ . 1 . 2]" 1
741 1 33 TYR H 1 51 VAL HA . . 5.400 4.752 4.628 4.809 . 0 0 "[ . 1 . 2]" 1
742 1 34 LYS HB2 1 34 LYS HD2 . . 3.210 2.709 2.498 2.730 . 0 0 "[ . 1 . 2]" 1
743 1 34 LYS HB3 1 34 LYS HD2 . . 3.830 3.679 3.654 3.691 . 0 0 "[ . 1 . 2]" 1
744 1 34 LYS HD2 1 52 LEU MD1 . . 3.600 3.460 3.189 3.599 . 0 0 "[ . 1 . 2]" 1
745 1 48 THR HA 1 49 PHE H . . 3.060 2.229 2.164 2.275 . 0 0 "[ . 1 . 2]" 1
746 1 48 THR HA 1 63 GLY H . . 4.540 3.658 3.409 3.946 . 0 0 "[ . 1 . 2]" 1
747 1 48 THR HA 1 69 ALA MB . . 3.590 3.103 2.825 3.272 . 0 0 "[ . 1 . 2]" 1
748 1 48 THR HA 1 48 THR MG . . 3.440 2.354 2.282 2.443 . 0 0 "[ . 1 . 2]" 1
749 1 49 PHE QE 1 66 LYS HA . . 3.670 2.673 2.179 3.046 . 0 0 "[ . 1 . 2]" 1
750 1 47 PHE HB3 1 66 LYS HA . . 4.720 3.225 2.833 3.816 . 0 0 "[ . 1 . 2]" 1
751 1 66 LYS HA 1 66 LYS HD2 . . 4.000 3.260 2.058 3.906 . 0 0 "[ . 1 . 2]" 1
752 1 66 LYS HA 1 66 LYS HD3 . . 4.000 2.352 2.003 3.496 . 0 0 "[ . 1 . 2]" 1
753 1 66 LYS HA 1 66 LYS HG2 . . 3.780 3.153 2.479 3.689 . 0 0 "[ . 1 . 2]" 1
754 1 66 LYS HA 1 66 LYS HG3 . . 3.780 3.227 2.400 3.793 0.013 15 0 "[ . 1 . 2]" 1
755 1 62 LYS HB3 1 62 LYS QD . . 3.160 2.530 2.363 2.630 . 0 0 "[ . 1 . 2]" 1
756 1 62 LYS HB2 1 62 LYS QD . . 3.330 2.267 2.149 2.405 . 0 0 "[ . 1 . 2]" 1
757 1 24 ARG HB3 1 25 GLN H . . 3.920 3.683 3.568 3.763 . 0 0 "[ . 1 . 2]" 1
758 1 24 ARG HB2 1 25 GLN H . . 4.190 4.096 3.948 4.184 . 0 0 "[ . 1 . 2]" 1
759 1 21 ASN HA 1 24 ARG HB2 . . 4.180 4.186 4.174 4.194 0.014 14 0 "[ . 1 . 2]" 1
760 1 16 TYR QD 1 19 LYS QD . . 4.090 3.932 3.046 4.117 0.027 12 0 "[ . 1 . 2]" 1
761 1 15 PHE QE 1 19 LYS QD . . 3.610 2.910 2.100 3.610 . 0 0 "[ . 1 . 2]" 1
762 1 62 LYS HA 1 62 LYS QD . . 4.470 4.046 3.986 4.083 . 0 0 "[ . 1 . 2]" 1
763 1 56 LYS QD 1 57 GLU H . . 4.680 4.372 3.862 4.682 0.002 10 0 "[ . 1 . 2]" 1
764 1 56 LYS QD 1 58 PHE QE . . 4.010 2.499 2.153 3.161 . 0 0 "[ . 1 . 2]" 1
765 1 56 LYS QD 1 58 PHE HZ . . 3.670 2.933 2.699 3.377 . 0 0 "[ . 1 . 2]" 1
766 1 56 LYS HA 1 56 LYS QD . . 4.260 4.050 3.923 4.179 . 0 0 "[ . 1 . 2]" 1
767 1 52 LEU HG 1 58 PHE H . . 4.180 3.170 3.135 3.206 . 0 0 "[ . 1 . 2]" 1
768 1 52 LEU HG 1 57 GLU HA . . 3.600 2.469 2.435 2.522 . 0 0 "[ . 1 . 2]" 1
769 1 52 LEU H 1 52 LEU HG . . 4.200 3.938 3.909 3.962 . 0 0 "[ . 1 . 2]" 1
770 1 33 TYR QE 1 70 ARG HA . . 4.470 4.369 4.011 4.474 0.004 14 0 "[ . 1 . 2]" 1
771 1 49 PHE QB 1 70 ARG HA . . 3.910 2.578 2.448 2.760 . 0 0 "[ . 1 . 2]" 1
772 1 70 ARG HA 1 73 ALA MB . . 3.590 2.982 2.787 3.257 . 0 0 "[ . 1 . 2]" 1
773 1 70 ARG HA 1 70 ARG HG3 . . 4.120 3.082 2.884 3.183 . 0 0 "[ . 1 . 2]" 1
774 1 16 TYR QE 1 75 LYS HD2 . . 4.140 2.242 2.000 2.651 . 0 0 "[ . 1 . 2]" 1
775 1 75 LYS HB2 1 75 LYS HD2 . . 3.700 2.611 2.290 2.761 . 0 0 "[ . 1 . 2]" 1
776 1 75 LYS HB2 1 75 LYS HD3 . . 3.700 2.798 2.565 3.064 . 0 0 "[ . 1 . 2]" 1
777 1 55 GLU H 1 55 GLU HB2 . . 4.160 3.516 3.314 3.694 . 0 0 "[ . 1 . 2]" 1
778 1 55 GLU H 1 55 GLU HB3 . . 4.160 4.070 3.979 4.101 . 0 0 "[ . 1 . 2]" 1
779 1 22 LYS HA 1 22 LYS HD2 . . 4.810 4.452 3.193 4.691 . 0 0 "[ . 1 . 2]" 1
780 1 19 LYS HA 1 22 LYS HD2 . . 4.660 3.293 2.321 4.453 . 0 0 "[ . 1 . 2]" 1
781 1 22 LYS HA 1 22 LYS HD3 . . 4.810 4.445 4.183 4.687 . 0 0 "[ . 1 . 2]" 1
782 1 19 LYS HA 1 22 LYS HD3 . . 4.660 3.706 2.207 4.643 . 0 0 "[ . 1 . 2]" 1
783 1 12 THR HA 1 13 PRO HG2 . . 4.370 4.320 4.293 4.339 . 0 0 "[ . 1 . 2]" 1
784 1 33 TYR HB3 1 70 ARG HG2 . . 4.460 3.180 2.877 3.411 . 0 0 "[ . 1 . 2]" 1
785 1 75 LYS HA 1 75 LYS HG2 . . 3.730 3.246 3.134 3.352 . 0 0 "[ . 1 . 2]" 1
786 1 75 LYS HA 1 78 VAL H . . 4.330 3.998 3.873 4.099 . 0 0 "[ . 1 . 2]" 1
787 1 16 TYR QD 1 75 LYS HA . . 3.660 3.135 2.951 3.248 . 0 0 "[ . 1 . 2]" 1
788 1 74 ALA MB 1 75 LYS HA . . 4.030 3.832 3.743 3.900 . 0 0 "[ . 1 . 2]" 1
789 1 75 LYS HA 1 75 LYS HG3 . . 3.730 2.573 2.486 2.720 . 0 0 "[ . 1 . 2]" 1
790 1 59 PRO HG2 1 76 LEU HB2 . . 4.470 2.540 2.525 2.552 . 0 0 "[ . 1 . 2]" 1
791 1 59 PRO HG2 1 80 ILE MD . . 3.820 3.648 3.420 3.825 0.005 13 0 "[ . 1 . 2]" 1
792 1 59 PRO HG2 1 76 LEU MD1 . . 3.610 2.015 1.967 2.189 . 0 0 "[ . 1 . 2]" 1
793 1 59 PRO HG3 1 76 LEU MD1 . . 3.850 3.312 3.176 3.417 . 0 0 "[ . 1 . 2]" 1
794 1 64 ARG H 1 64 ARG HG3 . . 4.630 3.906 2.041 4.557 . 0 0 "[ . 1 . 2]" 1
795 1 24 ARG HA 1 28 GLY H . . 4.930 3.377 3.200 3.631 . 0 0 "[ . 1 . 2]" 1
796 1 24 ARG HA 1 24 ARG HG3 . . 3.710 3.546 3.527 3.585 . 0 0 "[ . 1 . 2]" 1
797 1 24 ARG HA 1 29 VAL MG2 . . 3.130 1.794 1.769 1.874 . 0 0 "[ . 1 . 2]" 1
798 1 19 LYS HA 1 22 LYS QB . . 3.550 2.601 2.375 2.958 . 0 0 "[ . 1 . 2]" 1
799 1 19 LYS HA 1 19 LYS QD . . 3.860 3.676 3.622 3.757 . 0 0 "[ . 1 . 2]" 1
800 1 19 LYS HA 1 19 LYS HG2 . . 3.640 2.407 2.341 2.552 . 0 0 "[ . 1 . 2]" 1
801 1 19 LYS HA 1 19 LYS HG3 . . 3.640 3.420 3.370 3.520 . 0 0 "[ . 1 . 2]" 1
802 1 12 THR HA 1 13 PRO HG3 . . 4.370 4.353 4.341 4.363 . 0 0 "[ . 1 . 2]" 1
803 1 68 GLU HA 1 69 ALA H . . 3.550 3.516 3.498 3.531 . 0 0 "[ . 1 . 2]" 1
804 1 68 GLU HA 1 71 ASN HB2 . . 3.840 3.646 3.431 3.830 . 0 0 "[ . 1 . 2]" 1
805 1 68 GLU HA 1 68 GLU HG2 . . 3.520 3.475 3.114 3.614 0.094 20 0 "[ . 1 . 2]" 1
806 1 68 GLU HA 1 68 GLU HG3 . . 3.520 2.805 2.310 3.094 . 0 0 "[ . 1 . 2]" 1
807 1 22 LYS HA 1 22 LYS HG2 . . 3.550 2.620 2.354 3.494 . 0 0 "[ . 1 . 2]" 1
808 1 31 ILE HA 1 31 ILE HG13 . . 4.150 3.325 3.167 3.531 . 0 0 "[ . 1 . 2]" 1
809 1 30 ALA HA 1 31 ILE HG13 . . 3.960 3.891 3.812 3.960 . 7 0 "[ . 1 . 2]" 1
810 1 36 LEU HG 1 50 GLN HG2 . . 3.930 3.705 3.340 3.933 0.003 7 0 "[ . 1 . 2]" 1
811 1 24 ARG HB2 1 31 ILE HG13 . . 3.850 2.056 1.999 2.139 . 0 0 "[ . 1 . 2]" 1
812 1 31 ILE H 1 31 ILE HG13 . . 4.000 2.428 2.347 2.571 . 0 0 "[ . 1 . 2]" 1
813 1 24 ARG HB3 1 31 ILE HG13 . . 4.040 2.350 2.169 2.563 . 0 0 "[ . 1 . 2]" 1
814 1 31 ILE HA 1 31 ILE HG12 . . 3.720 2.511 2.456 2.591 . 0 0 "[ . 1 . 2]" 1
815 1 59 PRO HB2 1 76 LEU MD1 . . 3.080 2.410 2.293 2.557 . 0 0 "[ . 1 . 2]" 1
816 1 76 LEU HB3 1 76 LEU MD1 . . 3.310 2.404 2.348 2.484 . 0 0 "[ . 1 . 2]" 1
817 1 61 ALA MB 1 76 LEU MD1 . . 3.110 2.149 1.958 2.504 . 0 0 "[ . 1 . 2]" 1
818 1 76 LEU H 1 76 LEU MD1 . . 4.310 3.455 3.406 3.509 . 0 0 "[ . 1 . 2]" 1
819 1 17 MET HA 1 20 LEU HB2 . . 3.930 2.879 2.607 3.044 . 0 0 "[ . 1 . 2]" 1
820 1 17 MET HA 1 17 MET QG . . 3.300 2.378 2.284 2.609 . 0 0 "[ . 1 . 2]" 1
821 1 17 MET HA 1 74 ALA MB . . 3.310 2.841 2.673 3.068 . 0 0 "[ . 1 . 2]" 1
822 1 29 VAL HA 1 30 ALA MB . . 4.460 3.947 3.863 3.975 . 0 0 "[ . 1 . 2]" 1
823 1 29 VAL HA 1 29 VAL MG2 . . 3.570 3.194 3.188 3.197 . 0 0 "[ . 1 . 2]" 1
824 1 67 GLN HA 1 70 ARG H . . 4.220 3.355 3.222 3.569 . 0 0 "[ . 1 . 2]" 1
825 1 67 GLN HA 1 67 GLN QG . . 3.520 2.424 2.155 2.802 . 0 0 "[ . 1 . 2]" 1
826 1 67 GLN HA 1 70 ARG HB2 . . 3.820 2.825 2.540 2.928 . 0 0 "[ . 1 . 2]" 1
827 1 67 GLN HA 1 70 ARG HB3 . . 4.550 4.456 4.175 4.556 0.006 7 0 "[ . 1 . 2]" 1
828 1 66 LYS HE3 1 66 LYS HG2 . . 4.100 2.825 2.324 3.660 . 0 0 "[ . 1 . 2]" 1
829 1 49 PHE QE 1 66 LYS HG2 . . 4.690 4.104 3.608 4.468 . 0 0 "[ . 1 . 2]" 1
830 1 66 LYS HE2 1 66 LYS HG3 . . 4.100 3.501 2.587 4.194 0.094 18 0 "[ . 1 . 2]" 1
831 1 53 ILE HG13 1 58 PHE QE . . 4.060 3.158 2.697 3.448 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE HG13 1 58 PHE QD . . 4.440 3.737 3.375 3.944 . 0 0 "[ . 1 . 2]" 1
833 1 53 ILE HA 1 53 ILE HG13 . . 3.940 2.838 2.757 3.002 . 0 0 "[ . 1 . 2]" 1
834 1 20 LEU MD2 1 53 ILE HG13 . . 5.230 3.696 3.408 3.972 . 0 0 "[ . 1 . 2]" 1
835 1 51 VAL MG1 1 53 ILE HG13 . . 3.110 2.117 2.014 2.237 . 0 0 "[ . 1 . 2]" 1
836 1 53 ILE H 1 53 ILE HG12 . . 5.050 3.994 3.806 4.107 . 0 0 "[ . 1 . 2]" 1
837 1 53 ILE HG12 1 58 PHE QE . . 4.560 4.281 4.026 4.504 . 0 0 "[ . 1 . 2]" 1
838 1 53 ILE HA 1 53 ILE HG12 . . 3.570 2.862 2.763 2.913 . 0 0 "[ . 1 . 2]" 1
839 1 31 ILE HG12 1 53 ILE HG12 . . 3.170 2.046 1.998 2.456 . 0 0 "[ . 1 . 2]" 1
840 1 20 LEU MD2 1 53 ILE HG12 . . 3.500 3.069 2.751 3.389 . 0 0 "[ . 1 . 2]" 1
841 1 31 ILE MG 1 53 ILE HG12 . . 3.760 2.451 2.068 2.890 . 0 0 "[ . 1 . 2]" 1
842 1 51 VAL MG1 1 53 ILE HG12 . . 3.230 3.039 2.835 3.187 . 0 0 "[ . 1 . 2]" 1
843 1 76 LEU HA 1 76 LEU HG . . 4.260 3.214 3.151 3.286 . 0 0 "[ . 1 . 2]" 1
844 1 41 PRO HG3 1 44 ASP H . . 4.150 3.753 3.593 3.870 . 0 0 "[ . 1 . 2]" 1
845 1 25 GLN HA 1 25 GLN HG3 . . 3.940 3.622 3.313 3.807 . 0 0 "[ . 1 . 2]" 1
846 1 24 ARG HG2 1 25 GLN H . . 4.640 2.388 2.098 2.609 . 0 0 "[ . 1 . 2]" 1
847 1 21 ASN HA 1 24 ARG HG2 . . 4.560 2.178 1.998 2.493 . 0 0 "[ . 1 . 2]" 1
848 1 24 ARG HA 1 24 ARG HG2 . . 4.100 3.835 3.784 3.856 . 0 0 "[ . 1 . 2]" 1
849 1 24 ARG HG2 1 25 GLN HA . . 4.470 4.065 3.927 4.171 . 0 0 "[ . 1 . 2]" 1
850 1 20 LEU H 1 20 LEU HG . . 3.720 2.861 2.726 3.029 . 0 0 "[ . 1 . 2]" 1
851 1 20 LEU HG 1 78 VAL MG2 . . 3.780 2.091 1.893 2.286 . 0 0 "[ . 1 . 2]" 1
852 1 24 ARG HG3 1 25 GLN H . . 4.190 2.850 2.530 3.101 . 0 0 "[ . 1 . 2]" 1
853 1 24 ARG HG3 1 25 GLN HA . . 4.180 3.125 2.950 3.261 . 0 0 "[ . 1 . 2]" 1
854 1 45 ARG QG 1 46 ARG H . . 4.740 4.435 4.351 4.501 . 0 0 "[ . 1 . 2]" 1
855 1 45 ARG QG 1 47 PHE QE . . 4.520 4.287 3.883 4.443 . 0 0 "[ . 1 . 2]" 1
856 1 81 LEU H 1 81 LEU HG . . 3.590 1.926 1.894 1.980 . 0 0 "[ . 1 . 2]" 1
857 1 81 LEU HA 1 81 LEU HG . . 4.010 3.234 3.086 3.350 . 0 0 "[ . 1 . 2]" 1
858 1 52 LEU H 1 52 LEU MD2 . . 5.060 4.572 4.560 4.583 . 0 0 "[ . 1 . 2]" 1
859 1 52 LEU MD2 1 55 GLU H . . 5.490 4.804 4.638 4.963 . 0 0 "[ . 1 . 2]" 1
860 1 52 LEU MD2 1 58 PHE H . . 4.540 4.408 4.365 4.448 . 0 0 "[ . 1 . 2]" 1
861 1 50 GLN HE21 1 52 LEU MD2 . . 5.500 4.522 4.319 4.623 . 0 0 "[ . 1 . 2]" 1
862 1 52 LEU HA 1 52 LEU MD2 . . 3.790 3.532 3.523 3.539 . 0 0 "[ . 1 . 2]" 1
863 1 52 LEU MD2 1 57 GLU HA . . 3.510 2.991 2.909 3.060 . 0 0 "[ . 1 . 2]" 1
864 1 34 LYS QE 1 52 LEU MD2 . . 4.900 4.713 4.392 4.902 0.002 5 0 "[ . 1 . 2]" 1
865 1 52 LEU MD2 1 57 GLU HG3 . . 3.310 2.749 2.601 2.862 . 0 0 "[ . 1 . 2]" 1
866 1 52 LEU MD2 1 57 GLU HG2 . . 3.360 2.254 2.098 2.406 . 0 0 "[ . 1 . 2]" 1
867 1 34 LYS HD3 1 52 LEU MD2 . . 3.650 3.493 3.230 3.652 0.002 17 0 "[ . 1 . 2]" 1
868 1 34 LYS HD2 1 52 LEU MD2 . . 4.130 3.892 3.581 4.136 0.006 10 0 "[ . 1 . 2]" 1
869 1 52 LEU HB3 1 52 LEU MD2 . . 3.040 1.974 1.959 2.107 . 0 0 "[ . 1 . 2]" 1
870 1 32 THR MG 1 52 LEU MD2 . . 3.900 3.697 3.583 3.804 . 0 0 "[ . 1 . 2]" 1
871 1 64 ARG HA 1 64 ARG QD . . 4.230 3.606 2.377 4.171 . 0 0 "[ . 1 . 2]" 1
872 1 64 ARG HA 1 64 ARG HG2 . . 3.700 2.752 2.209 3.653 . 0 0 "[ . 1 . 2]" 1
873 1 64 ARG HA 1 64 ARG HG3 . . 3.700 2.906 2.256 3.623 . 0 0 "[ . 1 . 2]" 1
874 1 26 MET HA 1 26 MET HG2 . . 3.750 2.711 2.159 3.794 0.044 18 0 "[ . 1 . 2]" 1
875 1 76 LEU HA 1 79 ASP H . . 3.880 3.808 3.695 3.880 . 0 0 "[ . 1 . 2]" 1
876 1 76 LEU HA 1 76 LEU MD2 . . 2.970 2.262 2.106 2.433 . 0 0 "[ . 1 . 2]" 1
877 1 79 ASP HA 1 82 ASP H . . 4.330 4.037 3.660 4.269 . 0 0 "[ . 1 . 2]" 1
878 1 36 LEU MD1 1 49 PHE H . . 5.080 3.406 2.773 4.083 . 0 0 "[ . 1 . 2]" 1
879 1 36 LEU MD1 1 61 ALA H . . 5.500 3.639 3.351 4.162 . 0 0 "[ . 1 . 2]" 1
880 1 36 LEU H 1 36 LEU MD1 . . 4.550 3.756 3.354 3.990 . 0 0 "[ . 1 . 2]" 1
881 1 36 LEU MD1 1 60 GLU H . . 4.980 4.054 3.911 4.157 . 0 0 "[ . 1 . 2]" 1
882 1 36 LEU MD1 1 50 GLN HE22 . . 4.990 4.585 4.259 4.776 . 0 0 "[ . 1 . 2]" 1
883 1 36 LEU MD1 1 50 GLN HE21 . . 4.990 4.729 4.501 4.884 . 0 0 "[ . 1 . 2]" 1
884 1 36 LEU HA 1 36 LEU MD1 . . 4.200 3.866 3.775 3.980 . 0 0 "[ . 1 . 2]" 1
885 1 36 LEU MD1 1 50 GLN HG2 . . 4.040 3.558 3.005 3.818 . 0 0 "[ . 1 . 2]" 1
886 1 36 LEU MD1 1 60 GLU HB3 . . 3.240 1.983 1.934 2.126 . 0 0 "[ . 1 . 2]" 1
887 1 36 LEU MD1 1 60 GLU HB2 . . 3.260 2.005 1.859 2.412 . 0 0 "[ . 1 . 2]" 1
888 1 36 LEU HB3 1 36 LEU MD1 . . 2.950 2.326 2.164 2.496 . 0 0 "[ . 1 . 2]" 1
889 1 36 LEU HB2 1 36 LEU MD1 . . 3.230 2.367 2.229 2.538 . 0 0 "[ . 1 . 2]" 1
890 1 36 LEU MD1 1 48 THR MG . . 3.080 1.777 1.684 1.897 . 0 0 "[ . 1 . 2]" 1
891 1 36 LEU MD1 1 50 GLN HB3 . . 3.480 2.357 2.120 2.533 . 0 0 "[ . 1 . 2]" 1
892 1 58 PHE HA 1 58 PHE QD . . 4.190 3.050 3.015 3.072 . 0 0 "[ . 1 . 2]" 1
893 1 18 ASP HA 1 21 ASN H . . 3.950 3.794 3.642 3.936 . 0 0 "[ . 1 . 2]" 1
894 1 18 ASP HA 1 22 LYS H . . 4.480 4.373 4.053 4.482 0.002 5 0 "[ . 1 . 2]" 1
895 1 18 ASP HA 1 18 ASP HB3 . . 2.930 2.635 2.551 2.673 . 0 0 "[ . 1 . 2]" 1
896 1 78 VAL MG1 1 79 ASP HA . . 4.040 3.619 3.474 3.864 . 0 0 "[ . 1 . 2]" 1
897 1 53 ILE HA 1 54 ASP HA . . 4.600 4.369 4.363 4.376 . 0 0 "[ . 1 . 2]" 1
898 1 29 VAL HB 1 54 ASP HA . . 4.890 3.660 3.458 3.876 . 0 0 "[ . 1 . 2]" 1
899 1 53 ILE MG 1 54 ASP HA . . 4.350 3.926 3.806 4.099 . 0 0 "[ . 1 . 2]" 1
900 1 20 LEU HA 1 31 ILE MD . . 3.520 3.262 3.065 3.438 . 0 0 "[ . 1 . 2]" 1
901 1 20 LEU HA 1 23 TYR QD . . 4.590 4.361 4.088 4.541 . 0 0 "[ . 1 . 2]" 1
902 1 62 LYS H 1 62 LYS HG3 . . 4.460 2.866 2.673 3.160 . 0 0 "[ . 1 . 2]" 1
903 1 62 LYS H 1 62 LYS HG2 . . 4.280 4.087 3.970 4.269 . 0 0 "[ . 1 . 2]" 1
904 1 32 THR H 1 52 LEU MD1 . . 5.040 3.935 3.857 4.131 . 0 0 "[ . 1 . 2]" 1
905 1 33 TYR H 1 52 LEU MD1 . . 5.500 4.638 4.553 4.729 . 0 0 "[ . 1 . 2]" 1
906 1 52 LEU MD1 1 58 PHE H . . 4.290 4.060 3.990 4.126 . 0 0 "[ . 1 . 2]" 1
907 1 50 GLN HG3 1 52 LEU MD1 . . 3.420 2.092 1.979 2.319 . 0 0 "[ . 1 . 2]" 1
908 1 34 LYS HB3 1 52 LEU MD1 . . 3.380 3.062 2.621 3.329 . 0 0 "[ . 1 . 2]" 1
909 1 34 LYS HD3 1 52 LEU MD1 . . 3.130 2.892 2.684 3.131 0.001 10 0 "[ . 1 . 2]" 1
910 1 51 VAL HA 1 52 LEU MD1 . . 3.680 2.950 2.802 3.073 . 0 0 "[ . 1 . 2]" 1
911 1 52 LEU MD1 1 57 GLU HG2 . . 3.790 3.775 3.736 3.794 0.004 10 0 "[ . 1 . 2]" 1
912 1 52 LEU HB3 1 52 LEU MD1 . . 3.170 3.117 3.100 3.127 . 0 0 "[ . 1 . 2]" 1
913 1 20 LEU HA 1 20 LEU MD1 . . 4.040 3.823 3.791 3.845 . 0 0 "[ . 1 . 2]" 1
914 1 20 LEU MD1 1 74 ALA HA . . 3.510 2.401 2.186 2.661 . 0 0 "[ . 1 . 2]" 1
915 1 20 LEU MD1 1 78 VAL HA . . 5.110 5.024 4.726 5.115 0.005 14 0 "[ . 1 . 2]" 1
916 1 20 LEU MD1 1 53 ILE MD . . 3.440 3.307 2.864 3.441 0.001 10 0 "[ . 1 . 2]" 1
917 1 20 LEU MD1 1 81 LEU MD1 . . 4.370 4.154 3.844 4.335 . 0 0 "[ . 1 . 2]" 1
918 1 56 LYS HG2 1 57 GLU H . . 4.010 2.408 2.023 2.870 . 0 0 "[ . 1 . 2]" 1
919 1 56 LYS HA 1 56 LYS HG2 . . 4.090 2.850 2.669 3.077 . 0 0 "[ . 1 . 2]" 1
920 1 56 LYS HG3 1 57 GLU H . . 4.010 3.170 2.873 3.514 . 0 0 "[ . 1 . 2]" 1
921 1 56 LYS HA 1 56 LYS HG3 . . 4.090 2.618 2.434 2.776 . 0 0 "[ . 1 . 2]" 1
922 1 75 LYS H 1 75 LYS HG3 . . 5.020 4.448 4.399 4.514 . 0 0 "[ . 1 . 2]" 1
923 1 23 TYR QD 1 27 HIS HD2 . . 4.340 3.054 2.815 3.252 . 0 0 "[ . 1 . 2]" 1
924 1 23 TYR QE 1 27 HIS HD2 . . 4.880 3.270 2.889 3.606 . 0 0 "[ . 1 . 2]" 1
925 1 23 TYR HA 1 27 HIS HD2 . . 3.920 3.252 2.947 3.635 . 0 0 "[ . 1 . 2]" 1
926 1 23 TYR HB2 1 27 HIS HD2 . . 4.910 4.415 4.172 4.706 . 0 0 "[ . 1 . 2]" 1
927 1 26 MET HB2 1 27 HIS HD2 . . 4.620 3.829 2.743 4.544 . 0 0 "[ . 1 . 2]" 1
928 1 26 MET HB3 1 27 HIS HD2 . . 4.620 3.010 2.579 4.468 . 0 0 "[ . 1 . 2]" 1
929 1 86 LYS HA 1 86 LYS QD . . 4.130 3.183 2.030 4.114 . 0 0 "[ . 1 . 2]" 1
930 1 86 LYS HA 1 86 LYS HG3 . . 3.780 2.912 2.177 3.775 . 0 0 "[ . 1 . 2]" 1
931 1 78 VAL MG2 1 79 ASP H . . 4.210 3.798 3.651 3.891 . 0 0 "[ . 1 . 2]" 1
932 1 16 TYR QD 1 78 VAL MG2 . . 3.440 2.438 2.020 2.730 . 0 0 "[ . 1 . 2]" 1
933 1 20 LEU HA 1 78 VAL MG2 . . 4.500 3.332 3.029 3.757 . 0 0 "[ . 1 . 2]" 1
934 1 74 ALA HA 1 78 VAL MG2 . . 4.590 3.667 3.460 3.839 . 0 0 "[ . 1 . 2]" 1
935 1 75 LYS HA 1 78 VAL MG2 . . 3.600 3.441 3.123 3.600 . 0 0 "[ . 1 . 2]" 1
936 1 74 ALA MB 1 78 VAL MG2 . . 3.340 2.688 2.488 2.836 . 0 0 "[ . 1 . 2]" 1
937 1 20 LEU MD1 1 78 VAL MG2 . . 3.810 2.901 2.571 3.154 . 0 0 "[ . 1 . 2]" 1
938 1 77 ALA MB 1 78 VAL MG2 . . 4.190 2.960 2.755 3.132 . 0 0 "[ . 1 . 2]" 1
939 1 78 VAL MG2 1 81 LEU MD1 . . 4.590 2.978 2.726 3.308 . 0 0 "[ . 1 . 2]" 1
940 1 57 GLU HA 1 57 GLU HG2 . . 3.930 2.273 2.204 2.349 . 0 0 "[ . 1 . 2]" 1
941 1 57 GLU HA 1 58 PHE H . . 3.010 2.151 2.143 2.163 . 0 0 "[ . 1 . 2]" 1
942 1 86 LYS HA 1 86 LYS HG2 . . 3.780 3.050 2.282 3.786 0.006 16 0 "[ . 1 . 2]" 1
943 1 56 LYS HA 1 57 GLU HA . . 4.590 4.368 4.362 4.376 . 0 0 "[ . 1 . 2]" 1
944 1 20 LEU MD2 1 78 VAL H . . 5.170 3.404 3.118 3.774 . 0 0 "[ . 1 . 2]" 1
945 1 20 LEU H 1 20 LEU MD2 . . 4.120 3.906 3.679 4.080 . 0 0 "[ . 1 . 2]" 1
946 1 20 LEU MD2 1 33 TYR QE . . 5.200 4.900 4.682 5.137 . 0 0 "[ . 1 . 2]" 1
947 1 20 LEU HA 1 20 LEU MD2 . . 3.350 2.073 1.971 2.186 . 0 0 "[ . 1 . 2]" 1
948 1 20 LEU MD2 1 74 ALA HA . . 4.340 4.010 3.679 4.303 . 0 0 "[ . 1 . 2]" 1
949 1 20 LEU MD2 1 23 TYR HB3 . . 4.540 3.603 3.455 3.743 . 0 0 "[ . 1 . 2]" 1
950 1 20 LEU MD2 1 23 TYR HB2 . . 4.950 4.780 4.572 4.948 . 0 0 "[ . 1 . 2]" 1
951 1 20 LEU HB2 1 20 LEU MD2 . . 3.240 3.182 3.171 3.192 . 0 0 "[ . 1 . 2]" 1
952 1 20 LEU HB3 1 20 LEU MD2 . . 3.040 2.315 2.251 2.368 . 0 0 "[ . 1 . 2]" 1
953 1 20 LEU MD2 1 78 VAL MG2 . . 3.340 2.417 1.999 2.729 . 0 0 "[ . 1 . 2]" 1
954 1 20 LEU MD2 1 53 ILE MD . . 3.460 1.881 1.801 1.995 . 0 0 "[ . 1 . 2]" 1
955 1 20 LEU MD2 1 81 LEU MD1 . . 3.730 2.100 1.861 2.271 . 0 0 "[ . 1 . 2]" 1
956 1 21 ASN HA 1 24 ARG HG3 . . 4.260 3.811 3.690 3.957 . 0 0 "[ . 1 . 2]" 1
957 1 21 ASN HA 1 24 ARG HB3 . . 3.610 2.817 2.784 2.877 . 0 0 "[ . 1 . 2]" 1
958 1 49 PHE HA 1 49 PHE QD . . 4.030 3.034 3.002 3.059 . 0 0 "[ . 1 . 2]" 1
959 1 49 PHE HA 1 69 ALA MB . . 4.970 4.287 4.136 4.497 . 0 0 "[ . 1 . 2]" 1
960 1 36 LEU HG 1 49 PHE HA . . 4.030 2.410 2.258 2.627 . 0 0 "[ . 1 . 2]" 1
961 1 36 LEU H 1 49 PHE HA . . 3.790 2.693 2.527 2.883 . 0 0 "[ . 1 . 2]" 1
962 1 35 GLU HA 1 49 PHE HA . . 3.600 3.336 3.090 3.605 0.005 10 0 "[ . 1 . 2]" 1
963 1 36 LEU MD1 1 49 PHE HA . . 4.420 3.197 2.535 3.868 . 0 0 "[ . 1 . 2]" 1
964 1 36 LEU MD2 1 49 PHE HA . . 5.100 3.896 3.381 4.211 . 0 0 "[ . 1 . 2]" 1
965 1 78 VAL MG1 1 82 ASP HA . . 5.320 4.970 4.321 5.242 . 0 0 "[ . 1 . 2]" 1
966 1 81 LEU HB3 1 82 ASP HA . . 5.500 4.508 4.427 4.651 . 0 0 "[ . 1 . 2]" 1
967 1 35 GLU HA 1 49 PHE QE . . 4.530 3.044 2.682 3.335 . 0 0 "[ . 1 . 2]" 1
968 1 35 GLU HA 1 36 LEU H . . 3.230 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
969 1 35 GLU HA 1 49 PHE QD . . 4.540 3.144 2.868 3.326 . 0 0 "[ . 1 . 2]" 1
970 1 35 GLU HA 1 35 GLU HG3 . . 3.870 3.007 2.568 3.694 . 0 0 "[ . 1 . 2]" 1
971 1 35 GLU HA 1 35 GLU HG2 . . 3.870 3.003 2.525 3.479 . 0 0 "[ . 1 . 2]" 1
972 1 81 LEU MD1 1 82 ASP H . . 4.670 4.178 3.990 4.360 . 0 0 "[ . 1 . 2]" 1
973 1 81 LEU H 1 81 LEU MD1 . . 4.220 3.532 3.445 3.632 . 0 0 "[ . 1 . 2]" 1
974 1 58 PHE HZ 1 81 LEU MD1 . . 4.370 4.016 3.661 4.198 . 0 0 "[ . 1 . 2]" 1
975 1 58 PHE QE 1 81 LEU MD1 . . 4.480 4.270 4.025 4.396 . 0 0 "[ . 1 . 2]" 1
976 1 23 TYR QD 1 81 LEU MD1 . . 4.290 3.147 2.818 3.496 . 0 0 "[ . 1 . 2]" 1
977 1 81 LEU HA 1 81 LEU MD1 . . 4.050 3.907 3.856 3.936 . 0 0 "[ . 1 . 2]" 1
978 1 78 VAL HA 1 81 LEU MD1 . . 3.630 2.174 2.011 2.528 . 0 0 "[ . 1 . 2]" 1
979 1 81 LEU HB3 1 81 LEU MD1 . . 3.230 2.389 2.263 2.518 . 0 0 "[ . 1 . 2]" 1
980 1 77 ALA MB 1 81 LEU MD1 . . 3.330 3.168 2.833 3.329 . 0 0 "[ . 1 . 2]" 1
981 1 53 ILE MD 1 81 LEU MD1 . . 3.230 2.243 1.990 2.604 . 0 0 "[ . 1 . 2]" 1
982 1 61 ALA MB 1 73 ALA HA . . 3.150 1.994 1.925 2.193 . 0 0 "[ . 1 . 2]" 1
983 1 61 ALA MB 1 72 ALA MB . . 2.810 1.994 1.775 2.221 . 0 0 "[ . 1 . 2]" 1
984 1 34 LYS HA 1 34 LYS HD2 . . 4.080 3.864 2.470 3.974 . 0 0 "[ . 1 . 2]" 1
985 1 34 LYS HA 1 35 GLU H . . 3.000 2.170 2.141 2.304 . 0 0 "[ . 1 . 2]" 1
986 1 34 LYS HA 1 34 LYS HG3 . . 3.660 2.259 2.191 2.673 . 0 0 "[ . 1 . 2]" 1
987 1 34 LYS HA 1 34 LYS HG2 . . 4.050 3.276 3.159 3.762 . 0 0 "[ . 1 . 2]" 1
988 1 45 ARG HA 1 45 ARG HD2 . . 3.870 3.565 3.417 3.719 . 0 0 "[ . 1 . 2]" 1
989 1 45 ARG HA 1 45 ARG QG . . 3.760 2.611 2.571 2.662 . 0 0 "[ . 1 . 2]" 1
990 1 16 TYR QE 1 75 LYS HA . . 4.650 3.422 3.092 3.612 . 0 0 "[ . 1 . 2]" 1
991 1 16 TYR QE 1 75 LYS HD3 . . 4.140 3.753 3.152 4.139 . 0 0 "[ . 1 . 2]" 1
992 1 15 PHE QD 1 16 TYR QE . . 4.450 4.248 3.889 4.449 . 0 0 "[ . 1 . 2]" 1
993 1 16 TYR HA 1 16 TYR QE . . 4.570 4.317 4.257 4.366 . 0 0 "[ . 1 . 2]" 1
994 1 16 TYR QE 1 19 LYS HE2 . . 4.500 3.245 2.785 4.489 . 0 0 "[ . 1 . 2]" 1
995 1 16 TYR QE 1 78 VAL MG1 . . 3.560 3.180 2.594 3.492 . 0 0 "[ . 1 . 2]" 1
996 1 73 ALA HA 1 76 LEU H . . 4.000 3.818 3.758 3.877 . 0 0 "[ . 1 . 2]" 1
997 1 73 ALA HA 1 76 LEU HG . . 3.890 3.467 3.236 3.747 . 0 0 "[ . 1 . 2]" 1
998 1 73 ALA HA 1 76 LEU MD1 . . 3.540 2.808 2.565 3.129 . 0 0 "[ . 1 . 2]" 1
999 1 51 VAL MG2 1 73 ALA HA . . 4.820 4.652 4.442 4.821 0.001 1 0 "[ . 1 . 2]" 1
1000 1 69 ALA HA 1 72 ALA H . . 3.810 3.499 3.327 3.788 . 0 0 "[ . 1 . 2]" 1
1001 1 51 VAL H 1 51 VAL MG2 . . 3.480 2.695 2.492 2.960 . 0 0 "[ . 1 . 2]" 1
1002 1 51 VAL MG2 1 74 ALA H . . 4.190 3.545 3.401 3.665 . 0 0 "[ . 1 . 2]" 1
1003 1 51 VAL MG2 1 77 ALA H . . 4.900 4.895 4.867 4.910 0.010 7 0 "[ . 1 . 2]" 1
1004 1 50 GLN HA 1 51 VAL MG2 . . 3.840 3.515 3.316 3.723 . 0 0 "[ . 1 . 2]" 1
1005 1 51 VAL HA 1 51 VAL MG2 . . 3.340 2.344 2.198 2.469 . 0 0 "[ . 1 . 2]" 1
1006 1 51 VAL MG2 1 74 ALA HA . . 3.150 2.643 2.483 2.877 . 0 0 "[ . 1 . 2]" 1
1007 1 20 LEU MD1 1 51 VAL MG2 . . 3.020 2.379 2.123 2.572 . 0 0 "[ . 1 . 2]" 1
1008 1 51 VAL MG2 1 58 PHE HB2 . . 4.670 4.483 4.365 4.610 . 0 0 "[ . 1 . 2]" 1
1009 1 59 PRO HD2 1 77 ALA HA . . 4.680 3.973 3.914 4.077 . 0 0 "[ . 1 . 2]" 1
1010 1 74 ALA HA 1 77 ALA H . . 3.960 3.222 3.121 3.315 . 0 0 "[ . 1 . 2]" 1
1011 1 74 ALA HA 1 77 ALA MB . . 3.840 2.368 2.186 2.563 . 0 0 "[ . 1 . 2]" 1
1012 1 76 LEU MD2 1 79 ASP HB2 . . 5.000 4.425 4.187 4.587 . 0 0 "[ . 1 . 2]" 1
1013 1 76 LEU HB2 1 76 LEU MD2 . . 3.230 3.184 3.170 3.192 . 0 0 "[ . 1 . 2]" 1
1014 1 59 PRO HB3 1 76 LEU MD2 . . 5.500 5.450 5.341 5.504 0.004 19 0 "[ . 1 . 2]" 1
1015 1 59 PRO HG2 1 76 LEU MD2 . . 4.650 3.811 3.743 3.881 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ALA HA 1 74 ALA H . . 5.010 4.209 4.059 4.367 . 0 0 "[ . 1 . 2]" 1
1017 1 58 PHE QD 1 77 ALA HA . . 3.140 2.024 1.998 2.102 . 0 0 "[ . 1 . 2]" 1
1018 1 58 PHE QE 1 77 ALA HA . . 3.960 2.084 2.006 2.228 . 0 0 "[ . 1 . 2]" 1
1019 1 36 LEU H 1 36 LEU MD2 . . 4.400 3.122 2.473 3.614 . 0 0 "[ . 1 . 2]" 1
1020 1 36 LEU MD2 1 37 SER H . . 4.910 3.674 3.384 3.929 . 0 0 "[ . 1 . 2]" 1
1021 1 36 LEU HA 1 36 LEU MD2 . . 3.050 2.196 2.000 2.472 . 0 0 "[ . 1 . 2]" 1
1022 1 36 LEU MD2 1 50 GLN HB3 . . 4.010 3.364 3.134 3.658 . 0 0 "[ . 1 . 2]" 1
1023 1 36 LEU MD2 1 50 GLN HG2 . . 3.830 2.900 2.365 3.286 . 0 0 "[ . 1 . 2]" 1
1024 1 36 LEU MD2 1 60 GLU HB3 . . 3.980 3.741 3.459 3.902 . 0 0 "[ . 1 . 2]" 1
1025 1 36 LEU HB3 1 36 LEU MD2 . . 3.150 2.352 2.110 2.493 . 0 0 "[ . 1 . 2]" 1
1026 1 34 LYS HG3 1 36 LEU MD2 . . 4.310 4.006 2.306 4.297 . 0 0 "[ . 1 . 2]" 1
1027 1 36 LEU HB2 1 36 LEU MD2 . . 3.510 3.176 3.155 3.194 . 0 0 "[ . 1 . 2]" 1
1028 1 34 LYS HG2 1 36 LEU MD2 . . 3.440 2.613 2.197 2.750 . 0 0 "[ . 1 . 2]" 1
1029 1 43 HIS HD2 1 44 ASP HB3 . . 4.750 3.284 2.359 4.409 . 0 0 "[ . 1 . 2]" 1
1030 1 48 THR MG 1 49 PHE H . . 3.640 2.083 1.890 2.466 . 0 0 "[ . 1 . 2]" 1
1031 1 48 THR MG 1 62 LYS QE . . 4.450 3.985 3.626 4.328 . 0 0 "[ . 1 . 2]" 1
1032 1 48 THR MG 1 60 GLU HG2 . . 3.890 2.769 2.367 3.233 . 0 0 "[ . 1 . 2]" 1
1033 1 48 THR MG 1 60 GLU HG3 . . 3.890 2.086 1.904 3.688 . 0 0 "[ . 1 . 2]" 1
1034 1 48 THR MG 1 60 GLU HB2 . . 3.180 2.013 1.932 2.092 . 0 0 "[ . 1 . 2]" 1
1035 1 36 LEU HB3 1 48 THR MG . . 3.670 3.635 3.440 3.672 0.002 19 0 "[ . 1 . 2]" 1
1036 1 48 THR MG 1 62 LYS HG2 . . 3.770 3.597 3.373 3.763 . 0 0 "[ . 1 . 2]" 1
1037 1 17 MET QG 1 33 TYR QE . . 4.180 2.553 2.101 3.884 . 0 0 "[ . 1 . 2]" 1
1038 1 33 TYR QE 1 74 ALA MB . . 3.220 2.849 2.650 3.043 . 0 0 "[ . 1 . 2]" 1
1039 1 20 LEU MD1 1 33 TYR QE . . 4.350 2.977 2.854 3.198 . 0 0 "[ . 1 . 2]" 1
1040 1 31 ILE MG 1 33 TYR QE . . 3.740 2.512 2.068 3.166 . 0 0 "[ . 1 . 2]" 1
1041 1 33 TYR QE 1 51 VAL MG2 . . 3.520 2.461 2.183 2.694 . 0 0 "[ . 1 . 2]" 1
1042 1 23 TYR QE 1 81 LEU HB3 . . 4.670 3.626 3.132 3.858 . 0 0 "[ . 1 . 2]" 1
1043 1 23 TYR QE 1 29 VAL MG2 . . 3.260 2.632 2.215 2.997 . 0 0 "[ . 1 . 2]" 1
1044 1 23 TYR QE 1 53 ILE MG . . 3.750 3.019 2.496 3.427 . 0 0 "[ . 1 . 2]" 1
1045 1 23 TYR QE 1 81 LEU MD1 . . 4.290 3.425 3.069 3.786 . 0 0 "[ . 1 . 2]" 1
1046 1 52 LEU HA 1 58 PHE QD . . 4.070 2.573 2.458 2.667 . 0 0 "[ . 1 . 2]" 1
1047 1 52 LEU HA 1 56 LYS HB3 . . 4.240 4.069 3.834 4.213 . 0 0 "[ . 1 . 2]" 1
1048 1 52 LEU HA 1 53 ILE H . . 2.970 2.146 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
1049 1 52 LEU HA 1 57 GLU HA . . 3.580 3.439 3.325 3.544 . 0 0 "[ . 1 . 2]" 1
1050 1 52 LEU HA 1 52 LEU HG . . 3.260 2.368 2.354 2.384 . 0 0 "[ . 1 . 2]" 1
1051 1 52 LEU HA 1 52 LEU MD1 . . 4.140 3.302 3.260 3.341 . 0 0 "[ . 1 . 2]" 1
1052 1 51 VAL MG1 1 52 LEU HA . . 4.450 3.444 3.315 3.603 . 0 0 "[ . 1 . 2]" 1
1053 1 36 LEU HB2 1 48 THR MG . . 3.080 2.993 2.772 3.083 0.003 13 0 "[ . 1 . 2]" 1
1054 1 38 THR MG 1 48 THR H . . 4.490 4.117 3.835 4.336 . 0 0 "[ . 1 . 2]" 1
1055 1 38 THR MG 1 46 ARG H . . 4.140 2.635 2.271 2.925 . 0 0 "[ . 1 . 2]" 1
1056 1 38 THR MG 1 47 PHE QE . . 3.860 2.926 2.226 3.567 . 0 0 "[ . 1 . 2]" 1
1057 1 38 THR MG 1 47 PHE QD . . 3.880 2.475 1.987 3.518 . 0 0 "[ . 1 . 2]" 1
1058 1 38 THR MG 1 47 PHE HA . . 3.490 2.643 2.118 3.093 . 0 0 "[ . 1 . 2]" 1
1059 1 38 THR HA 1 38 THR MG . . 3.230 2.266 2.032 2.403 . 0 0 "[ . 1 . 2]" 1
1060 1 38 THR MG 1 45 ARG HD3 . . 3.750 2.322 1.964 2.648 . 0 0 "[ . 1 . 2]" 1
1061 1 38 THR MG 1 45 ARG HD2 . . 3.790 2.159 1.919 2.522 . 0 0 "[ . 1 . 2]" 1
1062 1 38 THR MG 1 45 ARG HB2 . . 4.210 3.479 3.311 3.652 . 0 0 "[ . 1 . 2]" 1
1063 1 38 THR MG 1 46 ARG HB2 . . 4.790 3.862 3.227 4.255 . 0 0 "[ . 1 . 2]" 1
1064 1 38 THR MG 1 45 ARG QG . . 3.900 3.295 3.188 3.499 . 0 0 "[ . 1 . 2]" 1
1065 1 38 THR MG 1 45 ARG HB3 . . 4.040 1.984 1.885 2.188 . 0 0 "[ . 1 . 2]" 1
1066 1 49 PHE H 1 62 LYS HA . . 4.170 3.868 3.751 3.933 . 0 0 "[ . 1 . 2]" 1
1067 1 62 LYS HA 1 63 GLY H . . 3.150 2.274 2.225 2.339 . 0 0 "[ . 1 . 2]" 1
1068 1 48 THR HA 1 62 LYS HA . . 3.380 2.371 2.269 2.499 . 0 0 "[ . 1 . 2]" 1
1069 1 62 LYS HA 1 62 LYS HG3 . . 3.050 2.783 2.659 2.884 . 0 0 "[ . 1 . 2]" 1
1070 1 62 LYS HA 1 62 LYS HG2 . . 3.720 2.642 2.465 2.783 . 0 0 "[ . 1 . 2]" 1
1071 1 36 LEU HA 1 36 LEU HG . . 3.760 3.351 3.103 3.623 . 0 0 "[ . 1 . 2]" 1
1072 1 34 LYS HG2 1 36 LEU HA . . 4.740 4.470 4.206 4.740 . 0 0 "[ . 1 . 2]" 1
1073 1 51 VAL MG1 1 53 ILE HA . . 4.300 4.117 4.048 4.191 . 0 0 "[ . 1 . 2]" 1
1074 1 51 VAL MG1 1 58 PHE QD . . 3.890 3.758 3.532 3.892 0.002 20 0 "[ . 1 . 2]" 1
1075 1 51 VAL MG1 1 74 ALA HA . . 4.350 4.179 4.031 4.306 . 0 0 "[ . 1 . 2]" 1
1076 1 51 VAL MG1 1 58 PHE HB2 . . 4.640 4.120 3.885 4.316 . 0 0 "[ . 1 . 2]" 1
1077 1 51 VAL MG1 1 53 ILE HB . . 4.510 4.412 4.290 4.512 0.002 13 0 "[ . 1 . 2]" 1
1078 1 20 LEU MD1 1 51 VAL MG1 . . 2.990 2.215 1.997 2.450 . 0 0 "[ . 1 . 2]" 1
1079 1 78 VAL H 1 78 VAL MG1 . . 4.040 3.763 3.742 3.770 . 0 0 "[ . 1 . 2]" 1
1080 1 78 VAL MG1 1 79 ASP H . . 4.010 3.550 3.364 3.718 . 0 0 "[ . 1 . 2]" 1
1081 1 16 TYR QD 1 78 VAL MG1 . . 3.190 2.755 2.424 3.077 . 0 0 "[ . 1 . 2]" 1
1082 1 16 TYR HA 1 78 VAL MG1 . . 4.480 4.130 3.976 4.268 . 0 0 "[ . 1 . 2]" 1
1083 1 19 LYS QD 1 78 VAL MG1 . . 3.280 3.124 2.103 3.281 0.001 5 0 "[ . 1 . 2]" 1
1084 1 78 VAL MG1 1 81 LEU MD1 . . 5.260 3.315 2.972 3.524 . 0 0 "[ . 1 . 2]" 1
1085 1 24 ARG HA 1 29 VAL MG1 . . 3.980 3.734 3.538 3.869 . 0 0 "[ . 1 . 2]" 1
1086 1 23 TYR QE 1 29 VAL MG1 . . 3.600 2.941 2.576 3.344 . 0 0 "[ . 1 . 2]" 1
1087 1 29 VAL HA 1 29 VAL MG1 . . 3.110 2.219 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
1088 1 27 HIS HB3 1 29 VAL MG1 . . 3.690 2.747 2.432 3.128 . 0 0 "[ . 1 . 2]" 1
1089 1 81 LEU H 1 81 LEU MD2 . . 4.040 2.913 2.572 3.141 . 0 0 "[ . 1 . 2]" 1
1090 1 58 PHE QD 1 81 LEU MD2 . . 4.810 4.748 4.517 4.809 . 0 0 "[ . 1 . 2]" 1
1091 1 58 PHE HZ 1 81 LEU MD2 . . 3.380 1.979 1.852 2.025 . 0 0 "[ . 1 . 2]" 1
1092 1 58 PHE QE 1 81 LEU MD2 . . 3.470 3.056 2.749 3.172 . 0 0 "[ . 1 . 2]" 1
1093 1 23 TYR QD 1 81 LEU MD2 . . 4.810 4.098 3.678 4.570 . 0 0 "[ . 1 . 2]" 1
1094 1 23 TYR QE 1 81 LEU MD2 . . 4.280 3.223 2.664 3.660 . 0 0 "[ . 1 . 2]" 1
1095 1 81 LEU HA 1 81 LEU MD2 . . 3.030 2.060 1.974 2.248 . 0 0 "[ . 1 . 2]" 1
1096 1 53 ILE MD 1 81 LEU MD2 . . 3.850 2.173 1.972 2.380 . 0 0 "[ . 1 . 2]" 1
1097 1 12 THR MG 1 15 PHE HA . . 3.330 2.822 2.217 3.321 . 0 0 "[ . 1 . 2]" 1
1098 1 12 THR HA 1 12 THR MG . . 3.440 2.290 2.130 2.481 . 0 0 "[ . 1 . 2]" 1
1099 1 12 THR MG 1 15 PHE HB3 . . 4.680 3.994 3.565 4.606 . 0 0 "[ . 1 . 2]" 1
1100 1 12 THR MG 1 13 PRO HG2 . . 4.460 3.054 2.915 3.169 . 0 0 "[ . 1 . 2]" 1
1101 1 12 THR MG 1 13 PRO HG3 . . 4.460 3.954 3.876 3.999 . 0 0 "[ . 1 . 2]" 1
1102 1 32 THR MG 1 52 LEU MD1 . . 4.760 2.574 2.393 2.792 . 0 0 "[ . 1 . 2]" 1
1103 1 32 THR MG 1 52 LEU H . . 4.990 4.129 4.036 4.347 . 0 0 "[ . 1 . 2]" 1
1104 1 32 THR HA 1 32 THR MG . . 3.300 2.506 2.400 2.562 . 0 0 "[ . 1 . 2]" 1
1105 1 32 THR MG 1 34 LYS HA . . 3.690 3.596 3.401 3.685 . 0 0 "[ . 1 . 2]" 1
1106 1 32 THR MG 1 34 LYS HB3 . . 4.850 4.708 4.613 4.823 . 0 0 "[ . 1 . 2]" 1
1107 1 32 THR MG 1 34 LYS HD2 . . 4.370 4.167 3.791 4.294 . 0 0 "[ . 1 . 2]" 1
1108 1 32 THR MG 1 52 LEU HB2 . . 3.960 3.199 3.112 3.375 . 0 0 "[ . 1 . 2]" 1
1109 1 32 THR MG 1 34 LYS HD3 . . 4.810 4.741 4.581 4.806 . 0 0 "[ . 1 . 2]" 1
1110 1 47 PHE HB3 1 69 ALA MB . . 4.070 3.667 3.329 3.986 . 0 0 "[ . 1 . 2]" 1
1111 1 49 PHE QE 1 69 ALA MB . . 3.840 3.195 2.889 3.510 . 0 0 "[ . 1 . 2]" 1
1112 1 47 PHE QD 1 69 ALA MB . . 4.050 3.856 3.609 4.052 0.002 14 0 "[ . 1 . 2]" 1
1113 1 49 PHE QD 1 69 ALA MB . . 3.200 1.935 1.783 2.270 . 0 0 "[ . 1 . 2]" 1
1114 1 62 LYS HA 1 69 ALA MB . . 4.070 3.540 3.264 3.810 . 0 0 "[ . 1 . 2]" 1
1115 1 63 GLY HA2 1 69 ALA MB . . 4.040 3.900 3.775 4.016 . 0 0 "[ . 1 . 2]" 1
1116 1 66 LYS HA 1 69 ALA MB . . 3.880 3.034 2.759 3.214 . 0 0 "[ . 1 . 2]" 1
1117 1 47 PHE HB2 1 69 ALA MB . . 4.070 2.676 2.467 2.877 . 0 0 "[ . 1 . 2]" 1
1118 1 30 ALA MB 1 54 ASP H . . 4.020 3.573 3.240 3.824 . 0 0 "[ . 1 . 2]" 1
1119 1 30 ALA H 1 30 ALA MB . . 3.050 2.389 2.276 2.510 . 0 0 "[ . 1 . 2]" 1
1120 1 30 ALA MB 1 31 ILE HA . . 4.450 4.267 4.228 4.315 . 0 0 "[ . 1 . 2]" 1
1121 1 30 ALA MB 1 54 ASP HA . . 4.120 3.910 3.534 4.122 0.002 20 0 "[ . 1 . 2]" 1
1122 1 29 VAL HB 1 30 ALA MB . . 4.410 4.240 4.101 4.388 . 0 0 "[ . 1 . 2]" 1
1123 1 29 VAL MG2 1 30 ALA MB . . 4.560 4.493 4.379 4.562 0.002 10 0 "[ . 1 . 2]" 1
1124 1 58 PHE HA 1 59 PRO HD3 . . 3.040 2.329 2.325 2.334 . 0 0 "[ . 1 . 2]" 1
1125 1 58 PHE HB3 1 59 PRO HD3 . . 3.800 3.445 3.426 3.451 . 0 0 "[ . 1 . 2]" 1
1126 1 59 PRO HD3 1 76 LEU HB2 . . 5.230 5.030 4.997 5.071 . 0 0 "[ . 1 . 2]" 1
1127 1 58 PHE QD 1 59 PRO HD2 . . 4.030 2.196 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
1128 1 58 PHE HA 1 59 PRO HD2 . . 3.420 2.473 2.465 2.484 . 0 0 "[ . 1 . 2]" 1
1129 1 59 PRO HD2 1 76 LEU HB2 . . 4.330 3.609 3.570 3.656 . 0 0 "[ . 1 . 2]" 1
1130 1 59 PRO HD2 1 80 ILE MD . . 3.540 2.956 2.783 3.115 . 0 0 "[ . 1 . 2]" 1
1131 1 59 PRO HD2 1 76 LEU MD1 . . 4.080 3.941 3.845 4.033 . 0 0 "[ . 1 . 2]" 1
1132 1 12 THR MG 1 13 PRO HD3 . . 4.030 3.137 3.094 3.233 . 0 0 "[ . 1 . 2]" 1
1133 1 12 THR MG 1 13 PRO HD2 . . 3.600 1.816 1.805 1.910 . 0 0 "[ . 1 . 2]" 1
1134 1 12 THR HA 1 13 PRO HD2 . . 3.110 2.159 2.123 2.184 . 0 0 "[ . 1 . 2]" 1
1135 1 20 LEU MD2 1 29 VAL MG2 . . 5.500 4.543 4.240 4.847 . 0 0 "[ . 1 . 2]" 1
1136 1 29 VAL MG2 1 31 ILE MG . . 5.500 4.556 4.397 4.715 . 0 0 "[ . 1 . 2]" 1
1137 1 24 ARG H 1 29 VAL MG2 . . 5.500 3.908 3.744 4.030 . 0 0 "[ . 1 . 2]" 1
1138 1 25 GLN H 1 29 VAL MG2 . . 5.060 4.640 4.598 4.763 . 0 0 "[ . 1 . 2]" 1
1139 1 29 VAL MG2 1 53 ILE HA . . 4.680 3.950 3.686 4.100 . 0 0 "[ . 1 . 2]" 1
1140 1 29 VAL MG2 1 30 ALA HA . . 4.530 3.913 3.763 4.010 . 0 0 "[ . 1 . 2]" 1
1141 1 24 ARG HB3 1 29 VAL MG2 . . 3.380 3.070 2.927 3.194 . 0 0 "[ . 1 . 2]" 1
1142 1 24 ARG HG3 1 29 VAL MG2 . . 4.600 3.974 3.819 4.079 . 0 0 "[ . 1 . 2]" 1
1143 1 29 VAL MG2 1 31 ILE HG13 . . 3.770 2.898 2.704 3.144 . 0 0 "[ . 1 . 2]" 1
1144 1 29 VAL MG2 1 31 ILE HG12 . . 4.060 2.920 2.744 3.132 . 0 0 "[ . 1 . 2]" 1
1145 1 29 VAL MG2 1 53 ILE MD . . 4.520 3.930 3.719 4.145 . 0 0 "[ . 1 . 2]" 1
1146 1 24 ARG HB2 1 29 VAL MG2 . . 3.220 2.076 1.974 2.178 . 0 0 "[ . 1 . 2]" 1
1147 1 72 ALA MB 1 73 ALA H . . 3.490 2.373 2.111 2.671 . 0 0 "[ . 1 . 2]" 1
1148 1 69 ALA HA 1 72 ALA MB . . 3.290 2.651 2.456 2.811 . 0 0 "[ . 1 . 2]" 1
1149 1 72 ALA MB 1 76 LEU MD1 . . 4.600 4.327 4.157 4.479 . 0 0 "[ . 1 . 2]" 1
1150 1 41 PRO HB2 1 42 PRO HD3 . . 3.960 3.461 3.448 3.493 . 0 0 "[ . 1 . 2]" 1
1151 1 16 TYR QD 1 74 ALA MB . . 4.070 3.707 3.360 3.872 . 0 0 "[ . 1 . 2]" 1
1152 1 16 TYR HB2 1 74 ALA MB . . 3.720 2.641 2.199 2.836 . 0 0 "[ . 1 . 2]" 1
1153 1 20 LEU HB2 1 74 ALA MB . . 3.920 3.871 3.648 3.923 0.003 14 0 "[ . 1 . 2]" 1
1154 1 20 LEU MD1 1 74 ALA MB . . 3.400 1.852 1.712 1.974 . 0 0 "[ . 1 . 2]" 1
1155 1 20 LEU MD2 1 74 ALA MB . . 4.010 3.703 3.468 3.936 . 0 0 "[ . 1 . 2]" 1
1156 1 51 VAL MG2 1 74 ALA MB . . 3.950 2.756 2.473 2.915 . 0 0 "[ . 1 . 2]" 1
1157 1 33 TYR QD 1 74 ALA MB . . 4.750 4.551 4.415 4.679 . 0 0 "[ . 1 . 2]" 1
1158 1 16 TYR HB3 1 74 ALA MB . . 3.550 2.139 1.954 2.327 . 0 0 "[ . 1 . 2]" 1
1159 1 80 ILE H 1 80 ILE MG . . 3.800 3.750 3.732 3.763 . 0 0 "[ . 1 . 2]" 1
1160 1 58 PHE HZ 1 80 ILE MG . . 3.960 3.756 3.515 3.956 . 0 0 "[ . 1 . 2]" 1
1161 1 58 PHE QE 1 80 ILE MG . . 3.380 3.024 2.723 3.174 . 0 0 "[ . 1 . 2]" 1
1162 1 80 ILE MG 1 81 LEU HA . . 3.370 3.156 3.005 3.330 . 0 0 "[ . 1 . 2]" 1
1163 1 56 LYS QE 1 80 ILE MG . . 5.200 3.297 2.610 4.559 . 0 0 "[ . 1 . 2]" 1
1164 1 80 ILE HG13 1 80 ILE MG . . 3.500 3.163 3.141 3.184 . 0 0 "[ . 1 . 2]" 1
1165 1 80 ILE MG 1 81 LEU HG . . 4.440 4.149 3.943 4.325 . 0 0 "[ . 1 . 2]" 1
1166 1 80 ILE MG 1 81 LEU MD2 . . 4.670 3.316 2.977 3.663 . 0 0 "[ . 1 . 2]" 1
1167 1 51 VAL H 1 73 ALA MB . . 3.820 3.048 2.757 3.282 . 0 0 "[ . 1 . 2]" 1
1168 1 33 TYR QD 1 73 ALA MB . . 4.480 4.018 3.888 4.126 . 0 0 "[ . 1 . 2]" 1
1169 1 33 TYR QE 1 73 ALA MB . . 4.540 4.418 4.294 4.540 . 0 0 "[ . 1 . 2]" 1
1170 1 50 GLN HA 1 73 ALA MB . . 3.380 2.006 1.953 2.112 . 0 0 "[ . 1 . 2]" 1
1171 1 49 PHE QB 1 73 ALA MB . . 3.390 2.665 2.446 2.817 . 0 0 "[ . 1 . 2]" 1
1172 1 20 LEU MD1 1 73 ALA MB . . 5.500 4.747 4.627 4.849 . 0 0 "[ . 1 . 2]" 1
1173 1 36 LEU MD1 1 73 ALA MB . . 5.500 4.746 4.389 5.164 . 0 0 "[ . 1 . 2]" 1
1174 1 73 ALA MB 1 77 ALA MB . . 5.500 4.454 4.247 4.578 . 0 0 "[ . 1 . 2]" 1
1175 1 51 VAL MG2 1 73 ALA MB . . 3.270 2.540 2.218 2.756 . 0 0 "[ . 1 . 2]" 1
1176 1 50 GLN H 1 73 ALA MB . . 4.060 3.577 3.437 3.704 . 0 0 "[ . 1 . 2]" 1
1177 1 61 ALA MB 1 73 ALA MB . . 3.310 2.611 2.340 2.802 . 0 0 "[ . 1 . 2]" 1
1178 1 77 ALA MB 1 79 ASP H . . 4.750 4.280 4.209 4.388 . 0 0 "[ . 1 . 2]" 1
1179 1 77 ALA MB 1 81 LEU H . . 5.140 4.532 4.441 4.642 . 0 0 "[ . 1 . 2]" 1
1180 1 58 PHE HB2 1 77 ALA MB . . 4.150 3.561 3.390 3.671 . 0 0 "[ . 1 . 2]" 1
1181 1 77 ALA MB 1 78 VAL HA . . 4.330 3.680 3.569 3.741 . 0 0 "[ . 1 . 2]" 1
1182 1 59 PRO HG2 1 77 ALA MB . . 5.500 5.158 5.071 5.219 . 0 0 "[ . 1 . 2]" 1
1183 1 76 LEU HB3 1 77 ALA MB . . 5.340 5.021 4.989 5.046 . 0 0 "[ . 1 . 2]" 1
1184 1 51 VAL HB 1 77 ALA MB . . 3.430 2.873 2.752 2.949 . 0 0 "[ . 1 . 2]" 1
1185 1 74 ALA MB 1 77 ALA MB . . 3.680 3.480 3.382 3.625 . 0 0 "[ . 1 . 2]" 1
1186 1 76 LEU HB2 1 77 ALA MB . . 4.480 3.935 3.837 4.017 . 0 0 "[ . 1 . 2]" 1
1187 1 51 VAL MG2 1 77 ALA MB . . 3.550 3.327 3.230 3.397 . 0 0 "[ . 1 . 2]" 1
1188 1 51 VAL MG1 1 77 ALA MB . . 3.800 3.318 3.087 3.473 . 0 0 "[ . 1 . 2]" 1
1189 1 31 ILE HA 1 31 ILE MG . . 3.370 2.342 2.270 2.402 . 0 0 "[ . 1 . 2]" 1
1190 1 31 ILE MG 1 32 THR HA . . 4.120 3.640 3.508 3.847 . 0 0 "[ . 1 . 2]" 1
1191 1 31 ILE MG 1 32 THR HB . . 4.870 4.691 4.485 4.785 . 0 0 "[ . 1 . 2]" 1
1192 1 20 LEU HB3 1 31 ILE MG . . 3.330 2.951 2.685 3.165 . 0 0 "[ . 1 . 2]" 1
1193 1 31 ILE HG13 1 31 ILE MG . . 3.390 3.183 3.160 3.199 . 0 0 "[ . 1 . 2]" 1
1194 1 31 ILE MG 1 53 ILE HG13 . . 3.810 2.738 2.384 3.211 . 0 0 "[ . 1 . 2]" 1
1195 1 31 ILE HG12 1 31 ILE MG . . 3.450 2.501 2.373 2.588 . 0 0 "[ . 1 . 2]" 1
1196 1 24 ARG HB2 1 31 ILE MG . . 4.840 4.810 4.769 4.843 0.003 6 0 "[ . 1 . 2]" 1
1197 1 53 ILE MG 1 54 ASP H . . 3.830 2.457 2.199 2.863 . 0 0 "[ . 1 . 2]" 1
1198 1 53 ILE MG 1 58 PHE QE . . 4.410 3.745 3.689 3.877 . 0 0 "[ . 1 . 2]" 1
1199 1 23 TYR QD 1 53 ILE MG . . 4.470 3.555 3.308 3.796 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ILE HA 1 53 ILE MG . . 3.230 2.253 2.201 2.344 . 0 0 "[ . 1 . 2]" 1
1201 1 29 VAL HA 1 53 ILE MG . . 4.810 4.399 4.203 4.647 . 0 0 "[ . 1 . 2]" 1
1202 1 53 ILE MG 1 54 ASP HB3 . . 4.740 3.630 3.471 3.839 . 0 0 "[ . 1 . 2]" 1
1203 1 29 VAL HB 1 53 ILE MG . . 3.360 2.269 2.048 2.545 . 0 0 "[ . 1 . 2]" 1
1204 1 31 ILE HG13 1 53 ILE MG . . 4.310 3.674 3.232 3.998 . 0 0 "[ . 1 . 2]" 1
1205 1 53 ILE HG13 1 53 ILE MG . . 3.620 3.147 3.130 3.173 . 0 0 "[ . 1 . 2]" 1
1206 1 31 ILE HG12 1 53 ILE MG . . 3.660 2.543 2.011 2.928 . 0 0 "[ . 1 . 2]" 1
1207 1 53 ILE MD 1 53 ILE MG . . 3.060 2.322 2.165 2.470 . 0 0 "[ . 1 . 2]" 1
1208 1 53 ILE MG 1 81 LEU MD1 . . 5.220 3.447 3.185 3.840 . 0 0 "[ . 1 . 2]" 1
1209 1 40 GLY HA2 1 41 PRO HD2 . . 3.450 2.932 2.856 2.991 . 0 0 "[ . 1 . 2]" 1
1210 1 40 GLY HA3 1 41 PRO HD3 . . 3.580 2.994 2.934 3.069 . 0 0 "[ . 1 . 2]" 1
1211 1 26 MET H 1 26 MET ME . . 5.280 4.420 3.427 5.006 . 0 0 "[ . 1 . 2]" 1
1212 1 26 MET ME 1 27 HIS H . . 5.500 4.384 3.104 5.408 . 0 0 "[ . 1 . 2]" 1
1213 1 23 TYR HA 1 26 MET ME . . 4.120 3.328 2.104 4.123 0.003 4 0 "[ . 1 . 2]" 1
1214 1 26 MET HA 1 26 MET ME . . 4.530 4.316 3.908 4.551 0.021 14 0 "[ . 1 . 2]" 1
1215 1 36 LEU MD1 1 50 GLN HA . . 4.830 4.368 4.107 4.733 . 0 0 "[ . 1 . 2]" 1
1216 1 49 PHE HA 1 50 GLN HA . . 5.500 4.525 4.477 4.556 . 0 0 "[ . 1 . 2]" 1
1217 1 49 PHE QB 1 50 GLN HA . . 5.400 3.843 3.796 3.911 . 0 0 "[ . 1 . 2]" 1
1218 1 50 GLN HG3 1 51 VAL H . . 4.690 3.311 3.039 3.689 . 0 0 "[ . 1 . 2]" 1
1219 1 48 THR HA 1 61 ALA HA . . 5.300 5.090 4.947 5.209 . 0 0 "[ . 1 . 2]" 1
1220 1 48 THR HA 1 49 PHE QD . . 5.020 3.636 3.371 3.775 . 0 0 "[ . 1 . 2]" 1
1221 1 48 THR HA 1 62 LYS H . . 5.320 4.676 4.568 4.785 . 0 0 "[ . 1 . 2]" 1
1222 1 45 ARG HB2 1 47 PHE QE . . 4.960 3.679 3.054 4.028 . 0 0 "[ . 1 . 2]" 1
1223 1 45 ARG HB2 1 47 PHE HZ . . 5.470 3.784 3.448 4.079 . 0 0 "[ . 1 . 2]" 1
1224 1 45 ARG HB3 1 47 PHE QE . . 4.960 3.221 2.737 3.553 . 0 0 "[ . 1 . 2]" 1
1225 1 39 SER HB3 1 46 ARG HB2 . . 5.500 4.724 3.726 5.476 . 0 0 "[ . 1 . 2]" 1
1226 1 35 GLU HA 1 36 LEU MD2 . . 5.160 4.045 3.336 4.771 . 0 0 "[ . 1 . 2]" 1
1227 1 34 LYS HA 1 35 GLU HA . . 4.670 4.373 4.362 4.393 . 0 0 "[ . 1 . 2]" 1
1228 1 35 GLU H 1 35 GLU HG2 . . 5.090 4.320 4.123 4.496 . 0 0 "[ . 1 . 2]" 1
1229 1 35 GLU HG3 1 49 PHE QE . . 4.790 3.379 2.960 3.917 . 0 0 "[ . 1 . 2]" 1
1230 1 35 GLU H 1 35 GLU HG3 . . 5.090 4.637 4.533 4.703 . 0 0 "[ . 1 . 2]" 1
1231 1 33 TYR HB2 1 70 ARG HG2 . . 4.710 4.502 4.134 4.711 0.001 20 0 "[ . 1 . 2]" 1
1232 1 33 TYR HB2 1 49 PHE QE . . 4.880 4.768 4.443 4.878 . 0 0 "[ . 1 . 2]" 1
1233 1 33 TYR HB2 1 34 LYS H . . 4.860 4.428 4.390 4.448 . 0 0 "[ . 1 . 2]" 1
1234 1 31 ILE HA 1 54 ASP H . . 5.060 4.190 4.034 4.361 . 0 0 "[ . 1 . 2]" 1
1235 1 30 ALA HA 1 31 ILE HB . . 5.160 4.764 4.689 4.882 . 0 0 "[ . 1 . 2]" 1
1236 1 29 VAL HB 1 30 ALA HA . . 5.040 4.511 4.370 4.663 . 0 0 "[ . 1 . 2]" 1
1237 1 29 VAL HB 1 54 ASP H . . 4.660 2.873 2.580 3.141 . 0 0 "[ . 1 . 2]" 1
1238 1 24 ARG HD2 1 31 ILE MG . . 5.200 4.664 4.409 5.044 . 0 0 "[ . 1 . 2]" 1
1239 1 24 ARG HD2 1 25 GLN H . . 5.500 5.020 4.725 5.196 . 0 0 "[ . 1 . 2]" 1
1240 1 17 MET QG 1 18 ASP H . . 4.580 4.256 4.023 4.417 . 0 0 "[ . 1 . 2]" 1
1241 1 16 TYR HB3 1 17 MET H . . 4.860 3.265 3.082 3.439 . 0 0 "[ . 1 . 2]" 1
1242 1 16 TYR HB3 1 78 VAL HB . . 5.390 4.126 3.943 4.407 . 0 0 "[ . 1 . 2]" 1
1243 1 46 ARG HD2 1 62 LYS HA . . 5.500 4.961 4.458 5.283 . 0 0 "[ . 1 . 2]" 1
1244 1 62 LYS HA 1 62 LYS QE . . 5.500 4.592 4.414 4.813 . 0 0 "[ . 1 . 2]" 1
1245 1 48 THR HB 1 62 LYS HA . . 5.500 4.963 4.731 5.168 . 0 0 "[ . 1 . 2]" 1
1246 1 62 LYS HA 1 69 ALA HA . . 5.240 4.468 4.091 4.667 . 0 0 "[ . 1 . 2]" 1
1247 1 61 ALA HA 1 62 LYS HA . . 4.360 4.359 4.352 4.365 0.005 7 0 "[ . 1 . 2]" 1
1248 1 33 TYR HB2 1 70 ARG HD3 . . 4.880 4.070 3.676 4.381 . 0 0 "[ . 1 . 2]" 1
1249 1 70 ARG HA 1 70 ARG HD3 . . 5.130 4.032 3.902 4.280 . 0 0 "[ . 1 . 2]" 1
1250 1 70 ARG HA 1 70 ARG HD2 . . 5.330 4.594 4.546 4.673 . 0 0 "[ . 1 . 2]" 1
1251 1 33 TYR HB2 1 70 ARG HD2 . . 5.500 5.184 4.657 5.494 . 0 0 "[ . 1 . 2]" 1
1252 1 33 TYR HB3 1 70 ARG HD3 . . 4.600 3.643 3.348 4.002 . 0 0 "[ . 1 . 2]" 1
1253 1 49 PHE QE 1 70 ARG HD3 . . 5.500 5.083 4.669 5.379 . 0 0 "[ . 1 . 2]" 1
1254 1 70 ARG H 1 70 ARG HD3 . . 5.140 5.006 4.873 5.095 . 0 0 "[ . 1 . 2]" 1
1255 1 70 ARG H 1 70 ARG HD2 . . 5.370 4.536 4.189 4.671 . 0 0 "[ . 1 . 2]" 1
1256 1 49 PHE QE 1 70 ARG HD2 . . 5.200 4.787 4.380 5.113 . 0 0 "[ . 1 . 2]" 1
1257 1 33 TYR QD 1 70 ARG HD2 . . 5.330 4.518 4.241 4.840 . 0 0 "[ . 1 . 2]" 1
1258 1 33 TYR QE 1 70 ARG HD2 . . 5.500 5.339 5.117 5.501 0.001 9 0 "[ . 1 . 2]" 1
1259 1 70 ARG HD2 1 71 ASN H . . 5.500 5.405 5.286 5.501 0.001 2 0 "[ . 1 . 2]" 1
1260 1 70 ARG HD3 1 71 ASN H . . 5.500 5.454 5.316 5.503 0.003 13 0 "[ . 1 . 2]" 1
1261 1 33 TYR QE 1 70 ARG HD3 . . 5.500 3.811 3.636 3.992 . 0 0 "[ . 1 . 2]" 1
1262 1 77 ALA H 1 77 ALA MB . . 3.030 2.166 2.031 2.243 . 0 0 "[ . 1 . 2]" 1
1263 1 50 GLN HB2 1 61 ALA H . . 5.500 4.895 4.734 5.085 . 0 0 "[ . 1 . 2]" 1
1264 1 50 GLN HB2 1 60 GLU HA . . 3.660 2.601 2.449 2.761 . 0 0 "[ . 1 . 2]" 1
1265 1 36 LEU HB2 1 49 PHE HA . . 5.430 3.625 3.326 3.997 . 0 0 "[ . 1 . 2]" 1
1266 1 49 PHE HA 1 50 GLN HG2 . . 4.910 4.404 4.107 4.511 . 0 0 "[ . 1 . 2]" 1
1267 1 35 GLU HA 1 49 PHE QB . . 4.750 4.382 4.195 4.595 . 0 0 "[ . 1 . 2]" 1
1268 1 49 PHE QE 1 66 LYS HG3 . . 4.690 3.738 1.995 4.699 0.009 3 0 "[ . 1 . 2]" 1
1269 1 48 THR HA 1 49 PHE QB . . 5.120 4.050 4.007 4.109 . 0 0 "[ . 1 . 2]" 1
1270 1 48 THR HA 1 62 LYS HG2 . . 4.380 3.863 3.556 4.098 . 0 0 "[ . 1 . 2]" 1
1271 1 37 SER H 1 48 THR HB . . 5.500 4.316 4.026 4.578 . 0 0 "[ . 1 . 2]" 1
1272 1 48 THR HB 1 60 GLU HB2 . . 4.590 4.393 4.279 4.588 . 0 0 "[ . 1 . 2]" 1
1273 1 48 THR MG 1 62 LYS HA . . 4.380 3.291 3.017 3.571 . 0 0 "[ . 1 . 2]" 1
1274 1 48 THR MG 1 62 LYS H . . 4.730 4.033 3.792 4.226 . 0 0 "[ . 1 . 2]" 1
1275 1 48 THR MG 1 50 GLN H . . 5.120 4.877 4.718 5.009 . 0 0 "[ . 1 . 2]" 1
1276 1 48 THR MG 1 49 PHE HA . . 4.690 3.546 3.294 3.711 . 0 0 "[ . 1 . 2]" 1
1277 1 47 PHE HA 1 69 ALA MB . . 5.500 4.510 4.308 4.654 . 0 0 "[ . 1 . 2]" 1
1278 1 47 PHE HA 1 47 PHE QD . . 3.970 2.588 2.337 3.147 . 0 0 "[ . 1 . 2]" 1
1279 1 38 THR MG 1 47 PHE HZ . . 5.390 4.394 3.797 4.944 . 0 0 "[ . 1 . 2]" 1
1280 1 45 ARG QG 1 47 PHE HZ . . 5.500 4.793 4.006 5.269 . 0 0 "[ . 1 . 2]" 1
1281 1 46 ARG HD2 1 63 GLY H . . 4.700 3.871 2.892 4.452 . 0 0 "[ . 1 . 2]" 1
1282 1 45 ARG HA 1 45 ARG HD3 . . 3.660 2.140 2.002 2.324 . 0 0 "[ . 1 . 2]" 1
1283 1 38 THR MG 1 45 ARG HA . . 5.500 3.099 2.672 3.404 . 0 0 "[ . 1 . 2]" 1
1284 1 45 ARG HB2 1 46 ARG H . . 4.700 4.357 4.252 4.496 . 0 0 "[ . 1 . 2]" 1
1285 1 45 ARG HB2 1 45 ARG HD2 . . 4.210 3.706 3.544 3.797 . 0 0 "[ . 1 . 2]" 1
1286 1 45 ARG HB3 1 45 ARG HD3 . . 3.980 2.630 2.522 2.811 . 0 0 "[ . 1 . 2]" 1
1287 1 45 ARG HD2 1 47 PHE QE . . 5.110 4.588 4.178 5.107 . 0 0 "[ . 1 . 2]" 1
1288 1 45 ARG HD3 1 47 PHE QE . . 5.500 5.426 5.240 5.500 . 0 0 "[ . 1 . 2]" 1
1289 1 45 ARG H 1 45 ARG HD2 . . 5.500 5.359 5.228 5.416 . 0 0 "[ . 1 . 2]" 1
1290 1 43 HIS HD2 1 44 ASP HB2 . . 4.750 2.270 2.001 3.017 . 0 0 "[ . 1 . 2]" 1
1291 1 59 PRO HA 1 76 LEU MD1 . . 4.740 4.304 4.194 4.402 . 0 0 "[ . 1 . 2]" 1
1292 1 50 GLN HE22 1 59 PRO HA . . 5.500 5.279 4.830 5.504 0.004 13 0 "[ . 1 . 2]" 1
1293 1 50 GLN HE21 1 59 PRO HA . . 5.500 4.857 4.743 5.058 . 0 0 "[ . 1 . 2]" 1
1294 1 59 PRO HB3 1 76 LEU HB2 . . 5.500 5.502 5.496 5.510 0.010 7 0 "[ . 1 . 2]" 1
1295 1 58 PHE H 1 59 PRO HD2 . . 4.980 4.766 4.760 4.772 . 0 0 "[ . 1 . 2]" 1
1296 1 41 PRO HD3 1 44 ASP H . . 5.500 5.272 5.109 5.396 . 0 0 "[ . 1 . 2]" 1
1297 1 40 GLY HA3 1 41 PRO HD2 . . 3.220 2.139 2.094 2.199 . 0 0 "[ . 1 . 2]" 1
1298 1 40 GLY HA2 1 41 PRO HD3 . . 3.300 2.648 2.582 2.702 . 0 0 "[ . 1 . 2]" 1
1299 1 39 SER HB2 1 46 ARG HB2 . . 5.500 4.960 4.137 5.498 . 0 0 "[ . 1 . 2]" 1
1300 1 39 SER HB2 1 62 LYS QE . . 5.500 3.809 2.105 4.988 . 0 0 "[ . 1 . 2]" 1
1301 1 39 SER HB3 1 62 LYS QE . . 5.500 3.617 2.613 4.598 . 0 0 "[ . 1 . 2]" 1
1302 1 38 THR HA 1 46 ARG HB2 . . 5.440 5.234 4.770 5.441 0.001 10 0 "[ . 1 . 2]" 1
1303 1 38 THR HB 1 45 ARG HD2 . . 4.590 3.067 2.766 3.277 . 0 0 "[ . 1 . 2]" 1
1304 1 37 SER HA 1 38 THR MG . . 5.500 5.416 5.266 5.503 0.003 14 0 "[ . 1 . 2]" 1
1305 1 36 LEU HB3 1 37 SER HA . . 5.150 4.836 4.690 5.034 . 0 0 "[ . 1 . 2]" 1
1306 1 35 GLU HA 1 36 LEU HA . . 5.500 4.402 4.384 4.438 . 0 0 "[ . 1 . 2]" 1
1307 1 34 LYS QE 1 36 LEU MD1 . . 5.500 5.314 5.052 5.504 0.004 10 0 "[ . 1 . 2]" 1
1308 1 35 GLU HA 1 36 LEU MD1 . . 5.500 5.164 4.798 5.381 . 0 0 "[ . 1 . 2]" 1
1309 1 36 LEU MD2 1 49 PHE H . . 5.500 5.488 5.383 5.504 0.004 19 0 "[ . 1 . 2]" 1
1310 1 35 GLU HA 1 36 LEU HB2 . . 5.050 4.765 4.666 4.935 . 0 0 "[ . 1 . 2]" 1
1311 1 34 LYS HG2 1 35 GLU HA . . 5.500 4.951 4.668 5.509 0.009 10 0 "[ . 1 . 2]" 1
1312 1 35 GLU HB3 1 36 LEU H . . 5.270 4.400 4.248 4.512 . 0 0 "[ . 1 . 2]" 1
1313 1 35 GLU HB2 1 36 LEU H . . 5.270 4.260 4.127 4.419 . 0 0 "[ . 1 . 2]" 1
1314 1 34 LYS HA 1 52 LEU MD1 . . 4.860 4.109 3.591 4.233 . 0 0 "[ . 1 . 2]" 1
1315 1 34 LYS HB3 1 34 LYS QE . . 4.680 3.722 3.680 4.262 . 0 0 "[ . 1 . 2]" 1
1316 1 34 LYS HB2 1 50 GLN H . . 5.240 5.101 4.852 5.243 0.003 19 0 "[ . 1 . 2]" 1
1317 1 34 LYS HB2 1 34 LYS QE . . 5.000 3.906 3.884 3.949 . 0 0 "[ . 1 . 2]" 1
1318 1 34 LYS HB2 1 50 GLN HG3 . . 4.470 3.675 3.362 3.806 . 0 0 "[ . 1 . 2]" 1
1319 1 34 LYS HB2 1 50 GLN HG2 . . 4.500 3.296 2.943 3.540 . 0 0 "[ . 1 . 2]" 1
1320 1 34 LYS HB2 1 34 LYS HD3 . . 3.540 2.333 2.308 2.533 . 0 0 "[ . 1 . 2]" 1
1321 1 34 LYS QE 1 34 LYS HG3 . . 3.710 2.799 2.212 3.111 . 0 0 "[ . 1 . 2]" 1
1322 1 34 LYS H 1 34 LYS HG2 . . 5.500 4.621 4.594 4.648 . 0 0 "[ . 1 . 2]" 1
1323 1 34 LYS H 1 34 LYS HD3 . . 5.500 4.687 4.599 5.026 . 0 0 "[ . 1 . 2]" 1
1324 1 34 LYS H 1 34 LYS HD2 . . 5.500 5.092 4.491 5.233 . 0 0 "[ . 1 . 2]" 1
1325 1 33 TYR QD 1 74 ALA H . . 5.500 5.442 5.343 5.500 0.000 5 0 "[ . 1 . 2]" 1
1326 1 33 TYR QD 1 51 VAL HA . . 4.410 4.065 3.771 4.239 . 0 0 "[ . 1 . 2]" 1
1327 1 32 THR HA 1 33 TYR QD . . 4.340 3.035 2.777 3.268 . 0 0 "[ . 1 . 2]" 1
1328 1 33 TYR QE 1 70 ARG HG2 . . 5.500 4.456 4.069 4.602 . 0 0 "[ . 1 . 2]" 1
1329 1 17 MET HA 1 33 TYR QE . . 4.520 3.793 3.545 4.225 . 0 0 "[ . 1 . 2]" 1
1330 1 33 TYR QE 1 74 ALA HA . . 5.150 4.605 4.409 4.866 . 0 0 "[ . 1 . 2]" 1
1331 1 32 THR H 1 33 TYR QE . . 5.500 5.082 4.803 5.471 . 0 0 "[ . 1 . 2]" 1
1332 1 32 THR HA 1 33 TYR HB2 . . 4.840 4.558 4.529 4.591 . 0 0 "[ . 1 . 2]" 1
1333 1 31 ILE HA 1 31 ILE MD . . 3.840 3.731 3.661 3.809 . 0 0 "[ . 1 . 2]" 1
1334 1 31 ILE HA 1 51 VAL MG1 . . 4.880 3.421 3.289 3.555 . 0 0 "[ . 1 . 2]" 1
1335 1 24 ARG HG2 1 31 ILE HB . . 5.470 5.231 5.063 5.392 . 0 0 "[ . 1 . 2]" 1
1336 1 24 ARG HB2 1 31 ILE HB . . 4.660 4.147 3.980 4.387 . 0 0 "[ . 1 . 2]" 1
1337 1 31 ILE HB 1 33 TYR QE . . 5.500 3.313 3.002 3.678 . 0 0 "[ . 1 . 2]" 1
1338 1 35 GLU HA 1 36 LEU HG . . 4.380 3.819 3.523 4.004 . 0 0 "[ . 1 . 2]" 1
1339 1 24 ARG H 1 31 ILE HG13 . . 5.500 4.551 4.348 4.725 . 0 0 "[ . 1 . 2]" 1
1340 1 35 GLU H 1 36 LEU HG . . 5.500 5.353 5.022 5.505 0.005 7 0 "[ . 1 . 2]" 1
1341 1 31 ILE HG12 1 32 THR H . . 5.190 4.488 4.356 4.660 . 0 0 "[ . 1 . 2]" 1
1342 1 24 ARG HB2 1 31 ILE HG12 . . 4.200 3.413 3.118 3.635 . 0 0 "[ . 1 . 2]" 1
1343 1 24 ARG HB3 1 31 ILE HG12 . . 4.560 3.512 3.202 3.696 . 0 0 "[ . 1 . 2]" 1
1344 1 31 ILE MD 1 53 ILE MD . . 3.540 2.900 2.568 3.242 . 0 0 "[ . 1 . 2]" 1
1345 1 20 LEU MD2 1 31 ILE MD . . 3.200 2.005 1.835 2.231 . 0 0 "[ . 1 . 2]" 1
1346 1 31 ILE MD 1 31 ILE MG . . 3.390 1.886 1.837 1.976 . 0 0 "[ . 1 . 2]" 1
1347 1 30 ALA HA 1 31 ILE HG12 . . 5.500 4.685 4.218 4.993 . 0 0 "[ . 1 . 2]" 1
1348 1 30 ALA HA 1 31 ILE HA . . 4.910 4.404 4.396 4.411 . 0 0 "[ . 1 . 2]" 1
1349 1 30 ALA MB 1 31 ILE HB . . 5.490 5.400 5.330 5.445 . 0 0 "[ . 1 . 2]" 1
1350 1 28 GLY QA 1 29 VAL MG2 . . 4.790 4.185 4.093 4.275 . 0 0 "[ . 1 . 2]" 1
1351 1 28 GLY QA 1 29 VAL MG1 . . 4.890 3.935 3.801 4.047 . 0 0 "[ . 1 . 2]" 1
1352 1 27 HIS HA 1 28 GLY QA . . 5.500 4.260 4.251 4.273 . 0 0 "[ . 1 . 2]" 1
1353 1 28 GLY QA 1 29 VAL HA . . 5.500 4.017 3.996 4.048 . 0 0 "[ . 1 . 2]" 1
1354 1 27 HIS H 1 28 GLY QA . . 4.800 4.352 4.203 4.502 . 0 0 "[ . 1 . 2]" 1
1355 1 23 TYR QD 1 27 HIS HB2 . . 5.500 3.810 3.535 4.124 . 0 0 "[ . 1 . 2]" 1
1356 1 27 HIS HD2 1 29 VAL MG1 . . 5.460 5.352 5.134 5.463 0.003 14 0 "[ . 1 . 2]" 1
1357 1 27 HIS HD2 1 29 VAL MG2 . . 5.330 5.102 4.869 5.322 . 0 0 "[ . 1 . 2]" 1
1358 1 26 MET HG3 1 27 HIS HD2 . . 5.500 4.756 2.330 5.418 . 0 0 "[ . 1 . 2]" 1
1359 1 26 MET HG2 1 27 HIS HD2 . . 5.500 4.482 2.147 5.499 . 0 0 "[ . 1 . 2]" 1
1360 1 25 GLN HA 1 28 GLY H . . 5.240 3.898 3.596 4.312 . 0 0 "[ . 1 . 2]" 1
1361 1 24 ARG HA 1 24 ARG HD3 . . 5.080 4.883 4.707 5.082 0.002 12 0 "[ . 1 . 2]" 1
1362 1 24 ARG HA 1 27 HIS HB3 . . 5.160 5.030 4.772 5.160 . 0 0 "[ . 1 . 2]" 1
1363 1 24 ARG HA 1 27 HIS HB2 . . 4.450 3.615 3.406 3.793 . 0 0 "[ . 1 . 2]" 1
1364 1 24 ARG HA 1 31 ILE HG13 . . 4.320 3.890 3.764 4.074 . 0 0 "[ . 1 . 2]" 1
1365 1 24 ARG HG2 1 29 VAL H . . 5.500 5.491 5.344 5.508 0.008 6 0 "[ . 1 . 2]" 1
1366 1 24 ARG HG2 1 31 ILE H . . 5.500 5.478 5.350 5.507 0.007 13 0 "[ . 1 . 2]" 1
1367 1 24 ARG HG3 1 29 VAL H . . 4.860 4.340 4.159 4.478 . 0 0 "[ . 1 . 2]" 1
1368 1 24 ARG HD3 1 31 ILE MG . . 5.200 4.129 3.831 4.402 . 0 0 "[ . 1 . 2]" 1
1369 1 23 TYR HA 1 29 VAL MG2 . . 5.490 5.300 5.127 5.447 . 0 0 "[ . 1 . 2]" 1
1370 1 23 TYR HA 1 26 MET HG2 . . 5.460 4.677 2.237 5.459 . 0 0 "[ . 1 . 2]" 1
1371 1 23 TYR HA 1 26 MET HG3 . . 5.460 4.415 2.968 5.417 . 0 0 "[ . 1 . 2]" 1
1372 1 22 LYS QB 1 23 TYR HA . . 4.060 4.020 3.957 4.048 . 0 0 "[ . 1 . 2]" 1
1373 1 20 LEU HB3 1 23 TYR HB3 . . 5.130 4.766 4.588 4.933 . 0 0 "[ . 1 . 2]" 1
1374 1 23 TYR QD 1 81 LEU HB3 . . 5.500 4.291 3.901 4.561 . 0 0 "[ . 1 . 2]" 1
1375 1 23 TYR QD 1 29 VAL MG1 . . 4.460 4.164 3.871 4.426 . 0 0 "[ . 1 . 2]" 1
1376 1 23 TYR QD 1 81 LEU HB2 . . 5.270 4.977 4.681 5.226 . 0 0 "[ . 1 . 2]" 1
1377 1 23 TYR QE 1 81 LEU HB2 . . 5.170 4.856 4.419 5.093 . 0 0 "[ . 1 . 2]" 1
1378 1 23 TYR HA 1 23 TYR QE . . 5.160 4.827 4.720 4.891 . 0 0 "[ . 1 . 2]" 1
1379 1 23 TYR QE 1 24 ARG HA . . 5.180 4.165 3.854 4.540 . 0 0 "[ . 1 . 2]" 1
1380 1 68 GLU HA 1 72 ALA H . . 4.630 4.367 4.123 4.546 . 0 0 "[ . 1 . 2]" 1
1381 1 22 LYS HA 1 24 ARG H . . 4.990 4.478 4.183 4.720 . 0 0 "[ . 1 . 2]" 1
1382 1 22 LYS HA 1 22 LYS HG3 . . 3.550 2.727 2.202 3.193 . 0 0 "[ . 1 . 2]" 1
1383 1 22 LYS QB 1 24 ARG H . . 5.450 4.807 4.640 4.936 . 0 0 "[ . 1 . 2]" 1
1384 1 22 LYS QB 1 23 TYR HB2 . . 4.640 4.188 4.115 4.241 . 0 0 "[ . 1 . 2]" 1
1385 1 22 LYS QB 1 23 TYR HB3 . . 5.240 4.646 4.573 4.784 . 0 0 "[ . 1 . 2]" 1
1386 1 19 LYS HA 1 22 LYS HG3 . . 5.240 4.098 3.327 5.240 0.000 5 0 "[ . 1 . 2]" 1
1387 1 19 LYS HA 1 22 LYS HG2 . . 5.240 4.967 4.419 5.197 . 0 0 "[ . 1 . 2]" 1
1388 1 22 LYS H 1 22 LYS HD2 . . 5.040 4.073 2.020 4.734 . 0 0 "[ . 1 . 2]" 1
1389 1 22 LYS H 1 22 LYS HD3 . . 5.040 4.448 2.972 5.040 . 0 0 "[ . 1 . 2]" 1
1390 1 22 LYS QB 1 22 LYS HD3 . . 3.780 2.501 2.063 3.275 . 0 0 "[ . 1 . 2]" 1
1391 1 22 LYS H 1 22 LYS QE . . 5.500 4.573 3.564 5.407 . 0 0 "[ . 1 . 2]" 1
1392 1 21 ASN HA 1 25 GLN H . . 4.370 3.989 3.710 4.328 . 0 0 "[ . 1 . 2]" 1
1393 1 21 ASN HA 1 22 LYS HA . . 4.850 4.799 4.715 4.862 0.012 5 0 "[ . 1 . 2]" 1
1394 1 21 ASN HA 1 24 ARG HA . . 5.500 5.107 5.027 5.232 . 0 0 "[ . 1 . 2]" 1
1395 1 81 LEU HA 1 82 ASP HA . . 5.500 4.902 4.722 4.952 . 0 0 "[ . 1 . 2]" 1
1396 1 21 ASN QB 1 24 ARG H . . 5.020 4.712 4.469 4.906 . 0 0 "[ . 1 . 2]" 1
1397 1 21 ASN QB 1 22 LYS HA . . 4.430 4.116 3.745 4.432 0.002 13 0 "[ . 1 . 2]" 1
1398 1 21 ASN QB 1 24 ARG HB3 . . 5.010 4.777 4.699 4.860 . 0 0 "[ . 1 . 2]" 1
1399 1 18 ASP HB3 1 21 ASN QB . . 5.480 5.020 4.797 5.271 . 0 0 "[ . 1 . 2]" 1
1400 1 20 LEU HA 1 24 ARG H . . 4.420 4.233 4.099 4.420 . 0 0 "[ . 1 . 2]" 1
1401 1 20 LEU HA 1 23 TYR HB2 . . 3.980 3.953 3.794 3.987 0.007 7 0 "[ . 1 . 2]" 1
1402 1 20 LEU HA 1 20 LEU HG . . 3.230 2.717 2.594 2.919 . 0 0 "[ . 1 . 2]" 1
1403 1 20 LEU MD1 1 74 ALA H . . 5.200 4.236 4.102 4.369 . 0 0 "[ . 1 . 2]" 1
1404 1 20 LEU MD1 1 78 VAL H . . 5.140 3.860 3.577 4.114 . 0 0 "[ . 1 . 2]" 1
1405 1 20 LEU MD2 1 58 PHE QD . . 5.500 5.281 5.164 5.415 . 0 0 "[ . 1 . 2]" 1
1406 1 20 LEU MD2 1 77 ALA H . . 5.500 5.032 4.718 5.322 . 0 0 "[ . 1 . 2]" 1
1407 1 20 LEU MD2 1 23 TYR QE . . 5.280 5.090 4.722 5.280 . 15 0 "[ . 1 . 2]" 1
1408 1 20 LEU MD2 1 78 VAL HB . . 5.280 4.813 4.360 5.221 . 0 0 "[ . 1 . 2]" 1
1409 1 20 LEU MD2 1 51 VAL MG1 . . 3.350 2.826 2.442 3.162 . 0 0 "[ . 1 . 2]" 1
1410 1 18 ASP H 1 19 LYS QB . . 4.900 4.592 4.422 4.803 . 0 0 "[ . 1 . 2]" 1
1411 1 19 LYS QB 1 20 LEU HA . . 4.760 3.885 3.782 3.931 . 0 0 "[ . 1 . 2]" 1
1412 1 19 LYS QB 1 78 VAL MG2 . . 3.190 2.516 2.378 2.729 . 0 0 "[ . 1 . 2]" 1
1413 1 19 LYS QB 1 19 LYS QD . . 3.320 2.113 2.032 2.192 . 0 0 "[ . 1 . 2]" 1
1414 1 16 TYR QD 1 19 LYS HG3 . . 5.250 3.720 3.414 3.897 . 0 0 "[ . 1 . 2]" 1
1415 1 16 TYR QD 1 19 LYS HG2 . . 5.250 5.136 4.864 5.256 0.006 20 0 "[ . 1 . 2]" 1
1416 1 16 TYR HA 1 19 LYS HG3 . . 4.170 2.362 2.051 2.534 . 0 0 "[ . 1 . 2]" 1
1417 1 15 PHE QD 1 19 LYS QD . . 5.500 3.762 3.291 4.267 . 0 0 "[ . 1 . 2]" 1
1418 1 19 LYS QD 1 20 LEU H . . 5.500 5.338 4.794 5.479 . 0 0 "[ . 1 . 2]" 1
1419 1 19 LYS HA 1 22 LYS QE . . 4.720 3.846 1.990 4.726 0.006 7 0 "[ . 1 . 2]" 1
1420 1 18 ASP HB2 1 19 LYS HA . . 4.730 4.653 4.413 4.732 0.002 15 0 "[ . 1 . 2]" 1
1421 1 18 ASP HB3 1 19 LYS HA . . 4.460 4.176 4.082 4.262 . 0 0 "[ . 1 . 2]" 1
1422 1 15 PHE HB3 1 16 TYR HA . . 4.130 4.037 3.838 4.123 . 0 0 "[ . 1 . 2]" 1
1423 1 18 ASP HB2 1 22 LYS QE . . 5.500 4.884 3.919 5.505 0.005 14 0 "[ . 1 . 2]" 1
1424 1 18 ASP HB3 1 22 LYS QE . . 4.820 3.558 2.252 4.733 . 0 0 "[ . 1 . 2]" 1
1425 1 17 MET HA 1 18 ASP HA . . 5.360 4.746 4.693 4.794 . 0 0 "[ . 1 . 2]" 1
1426 1 17 MET HA 1 20 LEU MD1 . . 4.030 2.489 2.197 2.951 . 0 0 "[ . 1 . 2]" 1
1427 1 17 MET ME 1 70 ARG HB3 . . 4.030 2.655 2.302 3.007 . 0 0 "[ . 1 . 2]" 1
1428 1 17 MET ME 1 17 MET QG . . 3.300 2.377 2.287 2.453 . 0 0 "[ . 1 . 2]" 1
1429 1 17 MET HA 1 17 MET ME . . 4.100 3.946 3.405 4.089 . 0 0 "[ . 1 . 2]" 1
1430 1 17 MET ME 1 71 ASN HA . . 4.650 4.590 4.427 4.652 0.002 11 0 "[ . 1 . 2]" 1
1431 1 17 MET ME 1 33 TYR QE . . 3.770 3.528 2.759 3.752 . 0 0 "[ . 1 . 2]" 1
1432 1 17 MET ME 1 33 TYR QD . . 4.460 4.133 3.565 4.409 . 0 0 "[ . 1 . 2]" 1
1433 1 17 MET H 1 17 MET ME . . 4.720 4.683 4.607 4.721 0.001 19 0 "[ . 1 . 2]" 1
1434 1 17 MET ME 1 71 ASN H . . 4.950 4.687 4.484 4.877 . 0 0 "[ . 1 . 2]" 1
1435 1 17 MET ME 1 18 ASP H . . 5.190 5.067 4.833 5.184 . 0 0 "[ . 1 . 2]" 1
1436 1 16 TYR HA 1 20 LEU H . . 5.010 4.325 4.069 4.568 . 0 0 "[ . 1 . 2]" 1
1437 1 15 PHE QD 1 16 TYR QD . . 5.020 3.893 3.611 4.144 . 0 0 "[ . 1 . 2]" 1
1438 1 16 TYR QD 1 75 LYS H . . 5.030 3.730 3.210 4.052 . 0 0 "[ . 1 . 2]" 1
1439 1 16 TYR QE 1 19 LYS QD . . 4.570 4.511 4.057 4.572 0.002 20 0 "[ . 1 . 2]" 1
1440 1 16 TYR QE 1 78 VAL HB . . 5.500 3.538 2.982 3.880 . 0 0 "[ . 1 . 2]" 1
1441 1 16 TYR H 1 16 TYR QE . . 5.430 4.750 4.525 4.899 . 0 0 "[ . 1 . 2]" 1
1442 1 16 TYR QE 1 79 ASP H . . 5.500 5.100 4.580 5.409 . 0 0 "[ . 1 . 2]" 1
1443 1 15 PHE HA 1 19 LYS H . . 5.120 4.840 4.608 5.095 . 0 0 "[ . 1 . 2]" 1
1444 1 15 PHE HA 1 15 PHE QE . . 5.140 4.500 4.355 4.618 . 0 0 "[ . 1 . 2]" 1
1445 1 15 PHE HA 1 18 ASP HB2 . . 3.380 3.196 2.899 3.341 . 0 0 "[ . 1 . 2]" 1
1446 1 12 THR MG 1 15 PHE HB2 . . 4.910 2.551 2.008 3.275 . 0 0 "[ . 1 . 2]" 1
1447 1 15 PHE HB3 1 16 TYR QD . . 4.190 4.009 3.681 4.187 . 0 0 "[ . 1 . 2]" 1
1448 1 13 PRO HD2 1 15 PHE QD . . 5.470 5.323 4.993 5.464 . 0 0 "[ . 1 . 2]" 1
1449 1 15 PHE QD 1 16 TYR HA . . 4.070 3.441 3.017 4.059 . 0 0 "[ . 1 . 2]" 1
1450 1 12 THR HA 1 13 PRO HD3 . . 2.870 2.255 2.254 2.258 . 0 0 "[ . 1 . 2]" 1
1451 1 12 THR MG 1 15 PHE QD . . 5.150 2.181 1.985 2.545 . 0 0 "[ . 1 . 2]" 1
1452 1 51 VAL HA 1 52 LEU HB2 . . 4.390 4.352 4.335 4.374 . 0 0 "[ . 1 . 2]" 1
1453 1 34 LYS H 1 51 VAL MG2 . . 5.380 4.494 4.367 4.685 . 0 0 "[ . 1 . 2]" 1
1454 1 32 THR H 1 51 VAL MG2 . . 5.500 5.002 4.857 5.297 . 0 0 "[ . 1 . 2]" 1
1455 1 33 TYR H 1 51 VAL MG2 . . 5.500 5.024 4.860 5.203 . 0 0 "[ . 1 . 2]" 1
1456 1 49 PHE QB 1 51 VAL MG2 . . 5.300 4.246 4.147 4.479 . 0 0 "[ . 1 . 2]" 1
1457 1 33 TYR HB2 1 51 VAL MG2 . . 5.500 4.700 4.566 4.802 . 0 0 "[ . 1 . 2]" 1
1458 1 33 TYR QD 1 51 VAL MG1 . . 5.460 3.821 3.677 4.049 . 0 0 "[ . 1 . 2]" 1
1459 1 33 TYR QE 1 51 VAL MG1 . . 5.000 3.543 3.317 3.859 . 0 0 "[ . 1 . 2]" 1
1460 1 33 TYR HA 1 51 VAL MG1 . . 4.040 3.647 3.526 3.848 . 0 0 "[ . 1 . 2]" 1
1461 1 31 ILE MG 1 51 VAL MG1 . . 3.070 1.733 1.677 1.814 . 0 0 "[ . 1 . 2]" 1
1462 1 52 LEU HA 1 58 PHE QE . . 4.790 3.955 3.780 4.110 . 0 0 "[ . 1 . 2]" 1
1463 1 52 LEU HA 1 56 LYS H . . 4.650 3.972 3.829 4.068 . 0 0 "[ . 1 . 2]" 1
1464 1 52 LEU HB3 1 57 GLU HA . . 5.040 4.351 4.282 4.415 . 0 0 "[ . 1 . 2]" 1
1465 1 52 LEU HB3 1 55 GLU HA . . 4.190 3.767 3.659 3.910 . 0 0 "[ . 1 . 2]" 1
1466 1 32 THR MG 1 52 LEU HB3 . . 4.690 4.505 4.402 4.627 . 0 0 "[ . 1 . 2]" 1
1467 1 32 THR H 1 52 LEU HG . . 5.500 5.504 5.494 5.518 0.018 10 0 "[ . 1 . 2]" 1
1468 1 50 GLN HG3 1 52 LEU HG . . 4.190 3.683 3.611 3.758 . 0 0 "[ . 1 . 2]" 1
1469 1 52 LEU MD2 1 58 PHE QD . . 5.500 5.225 5.134 5.277 . 0 0 "[ . 1 . 2]" 1
1470 1 50 GLN HE22 1 52 LEU MD2 . . 5.500 4.497 4.325 4.752 . 0 0 "[ . 1 . 2]" 1
1471 1 52 LEU MD2 1 55 GLU HA . . 3.830 3.632 3.485 3.809 . 0 0 "[ . 1 . 2]" 1
1472 1 32 THR HB 1 52 LEU MD2 . . 4.070 3.839 3.656 3.919 . 0 0 "[ . 1 . 2]" 1
1473 1 30 ALA MB 1 53 ILE HA . . 5.090 4.503 4.268 4.808 . 0 0 "[ . 1 . 2]" 1
1474 1 52 LEU HB3 1 53 ILE HA . . 5.440 4.564 4.516 4.602 . 0 0 "[ . 1 . 2]" 1
1475 1 52 LEU HA 1 53 ILE HB . . 4.870 4.769 4.697 4.840 . 0 0 "[ . 1 . 2]" 1
1476 1 53 ILE HB 1 54 ASP H . . 5.420 4.083 3.944 4.217 . 0 0 "[ . 1 . 2]" 1
1477 1 53 ILE HB 1 56 LYS H . . 5.110 4.535 4.366 4.654 . 0 0 "[ . 1 . 2]" 1
1478 1 52 LEU HA 1 53 ILE HG13 . . 5.150 3.702 3.542 3.814 . 0 0 "[ . 1 . 2]" 1
1479 1 53 ILE HG12 1 54 ASP H . . 5.240 4.658 4.475 4.814 . 0 0 "[ . 1 . 2]" 1
1480 1 31 ILE H 1 53 ILE MG . . 5.500 4.665 4.421 4.954 . 0 0 "[ . 1 . 2]" 1
1481 1 53 ILE MG 1 56 LYS H . . 5.500 4.802 4.657 4.911 . 0 0 "[ . 1 . 2]" 1
1482 1 53 ILE MD 1 54 ASP H . . 5.500 5.250 5.124 5.383 . 0 0 "[ . 1 . 2]" 1
1483 1 32 THR H 1 53 ILE MD . . 5.500 5.446 5.334 5.503 0.003 14 0 "[ . 1 . 2]" 1
1484 1 52 LEU H 1 53 ILE MD . . 5.500 4.877 4.793 5.039 . 0 0 "[ . 1 . 2]" 1
1485 1 53 ILE MD 1 81 LEU HA . . 5.420 5.311 5.111 5.422 0.002 13 0 "[ . 1 . 2]" 1
1486 1 23 TYR HB3 1 53 ILE MD . . 5.500 5.192 4.982 5.433 . 0 0 "[ . 1 . 2]" 1
1487 1 53 ILE MD 1 78 VAL HA . . 5.500 4.556 4.395 4.800 . 0 0 "[ . 1 . 2]" 1
1488 1 54 ASP HA 1 56 LYS H . . 5.500 4.423 4.315 4.607 . 0 0 "[ . 1 . 2]" 1
1489 1 29 VAL HB 1 54 ASP HB2 . . 5.020 3.122 2.934 3.316 . 0 0 "[ . 1 . 2]" 1
1490 1 53 ILE MG 1 54 ASP HB2 . . 4.740 2.667 2.463 2.874 . 0 0 "[ . 1 . 2]" 1
1491 1 29 VAL HB 1 54 ASP HB3 . . 5.020 4.780 4.565 4.978 . 0 0 "[ . 1 . 2]" 1
1492 1 55 GLU H 1 55 GLU HG2 . . 4.310 3.408 2.652 4.311 0.001 19 0 "[ . 1 . 2]" 1
1493 1 55 GLU H 1 55 GLU HG3 . . 4.310 3.413 2.683 4.287 . 0 0 "[ . 1 . 2]" 1
1494 1 55 GLU HA 1 55 GLU HG2 . . 3.900 2.667 2.355 3.793 . 0 0 "[ . 1 . 2]" 1
1495 1 55 GLU HA 1 55 GLU HG3 . . 3.900 3.210 2.558 3.879 . 0 0 "[ . 1 . 2]" 1
1496 1 52 LEU MD2 1 56 LYS HA . . 5.080 4.818 4.616 5.011 . 0 0 "[ . 1 . 2]" 1
1497 1 55 GLU H 1 56 LYS HB2 . . 4.980 4.912 4.832 4.982 0.002 19 0 "[ . 1 . 2]" 1
1498 1 55 GLU H 1 56 LYS HB3 . . 5.080 5.065 4.996 5.085 0.005 7 0 "[ . 1 . 2]" 1
1499 1 56 LYS HB3 1 58 PHE HZ . . 4.390 4.384 4.312 4.397 0.007 10 0 "[ . 1 . 2]" 1
1500 1 56 LYS HB2 1 58 PHE QD . . 5.220 5.088 4.981 5.221 0.001 14 0 "[ . 1 . 2]" 1
1501 1 56 LYS HB2 1 56 LYS QD . . 3.200 2.648 2.388 2.994 . 0 0 "[ . 1 . 2]" 1
1502 1 56 LYS QE 1 56 LYS HG3 . . 3.590 2.648 2.177 3.151 . 0 0 "[ . 1 . 2]" 1
1503 1 56 LYS HA 1 57 GLU QB . . 4.650 4.141 4.129 4.158 . 0 0 "[ . 1 . 2]" 1
1504 1 52 LEU MD2 1 57 GLU QB . . 3.970 3.974 3.969 3.981 0.011 7 0 "[ . 1 . 2]" 1
1505 1 50 GLN HE21 1 57 GLU HG3 . . 5.460 5.419 5.241 5.463 0.003 10 0 "[ . 1 . 2]" 1
1506 1 50 GLN HE21 1 57 GLU HG2 . . 5.270 3.779 3.596 3.875 . 0 0 "[ . 1 . 2]" 1
1507 1 50 GLN HE22 1 57 GLU HG2 . . 5.270 3.258 3.044 3.582 . 0 0 "[ . 1 . 2]" 1
1508 1 50 GLN HE22 1 57 GLU HG3 . . 5.460 4.865 4.641 5.190 . 0 0 "[ . 1 . 2]" 1
1509 1 57 GLU HG2 1 58 PHE H . . 4.140 4.063 3.990 4.141 0.001 15 0 "[ . 1 . 2]" 1
1510 1 58 PHE HB2 1 59 PRO HD3 . . 4.780 4.692 4.682 4.696 . 0 0 "[ . 1 . 2]" 1
1511 1 58 PHE HB2 1 77 ALA HA . . 5.150 4.965 4.826 5.036 . 0 0 "[ . 1 . 2]" 1
1512 1 57 GLU HA 1 58 PHE HB2 . . 4.480 4.394 4.375 4.413 . 0 0 "[ . 1 . 2]" 1
1513 1 58 PHE HB2 1 80 ILE MD . . 5.250 5.143 4.929 5.253 0.003 13 0 "[ . 1 . 2]" 1
1514 1 51 VAL H 1 58 PHE HB3 . . 5.140 3.709 3.639 3.810 . 0 0 "[ . 1 . 2]" 1
1515 1 58 PHE HB3 1 59 PRO HG3 . . 4.870 4.611 4.591 4.619 . 0 0 "[ . 1 . 2]" 1
1516 1 56 LYS HB3 1 58 PHE QD . . 4.650 3.396 3.292 3.534 . 0 0 "[ . 1 . 2]" 1
1517 1 51 VAL MG1 1 58 PHE QE . . 4.480 4.263 3.879 4.422 . 0 0 "[ . 1 . 2]" 1
1518 1 58 PHE QE 1 81 LEU HG . . 4.280 3.506 3.298 3.653 . 0 0 "[ . 1 . 2]" 1
1519 1 58 PHE QE 1 59 PRO HD2 . . 5.500 4.433 4.368 4.479 . 0 0 "[ . 1 . 2]" 1
1520 1 59 PRO HB2 1 60 GLU H . . 4.350 3.939 3.885 4.010 . 0 0 "[ . 1 . 2]" 1
1521 1 58 PHE HB3 1 59 PRO HG2 . . 4.590 3.694 3.677 3.703 . 0 0 "[ . 1 . 2]" 1
1522 1 58 PHE HA 1 59 PRO HG2 . . 4.800 4.572 4.565 4.581 . 0 0 "[ . 1 . 2]" 1
1523 1 60 GLU H 1 60 GLU HB2 . . 3.760 3.588 3.568 3.597 . 0 0 "[ . 1 . 2]" 1
1524 1 60 GLU HB3 1 61 ALA H . . 3.910 3.656 3.541 3.754 . 0 0 "[ . 1 . 2]" 1
1525 1 61 ALA MB 1 76 LEU H . . 4.800 4.413 4.235 4.598 . 0 0 "[ . 1 . 2]" 1
1526 1 61 ALA MB 1 62 LYS HA . . 5.060 4.165 4.105 4.210 . 0 0 "[ . 1 . 2]" 1
1527 1 61 ALA MB 1 76 LEU HG . . 3.670 3.329 3.119 3.593 . 0 0 "[ . 1 . 2]" 1
1528 1 62 LYS HB2 1 62 LYS QE . . 4.640 3.912 3.595 4.097 . 0 0 "[ . 1 . 2]" 1
1529 1 48 THR HA 1 62 LYS HB3 . . 5.390 4.717 4.563 4.872 . 0 0 "[ . 1 . 2]" 1
1530 1 48 THR HA 1 62 LYS HB2 . . 5.500 5.277 5.166 5.434 . 0 0 "[ . 1 . 2]" 1
1531 1 62 LYS HG3 1 63 GLY H . . 5.030 4.722 4.589 4.801 . 0 0 "[ . 1 . 2]" 1
1532 1 49 PHE H 1 62 LYS HG3 . . 5.500 5.385 5.239 5.504 0.004 10 0 "[ . 1 . 2]" 1
1533 1 61 ALA H 1 62 LYS HG3 . . 5.500 5.219 5.050 5.359 . 0 0 "[ . 1 . 2]" 1
1534 1 48 THR HA 1 62 LYS HG3 . . 4.740 4.109 3.853 4.308 . 0 0 "[ . 1 . 2]" 1
1535 1 62 LYS H 1 62 LYS QD . . 5.000 3.803 3.517 4.106 . 0 0 "[ . 1 . 2]" 1
1536 1 63 GLY HA3 1 69 ALA MB . . 4.170 2.479 2.292 2.618 . 0 0 "[ . 1 . 2]" 1
1537 1 62 LYS HA 1 63 GLY HA3 . . 5.500 4.310 4.300 4.320 . 0 0 "[ . 1 . 2]" 1
1538 1 63 GLY HA3 1 65 SER H . . 5.430 3.992 3.829 4.218 . 0 0 "[ . 1 . 2]" 1
1539 1 62 LYS HA 1 63 GLY HA2 . . 5.500 4.468 4.437 4.520 . 0 0 "[ . 1 . 2]" 1
1540 1 47 PHE H 1 64 ARG HA . . 4.800 4.427 4.071 4.777 . 0 0 "[ . 1 . 2]" 1
1541 1 58 PHE HA 1 58 PHE QE . . 4.960 4.556 4.545 4.566 . 0 0 "[ . 1 . 2]" 1
1542 1 46 ARG HB3 1 64 ARG HA . . 5.500 5.008 4.616 5.502 0.002 13 0 "[ . 1 . 2]" 1
1543 1 64 ARG H 1 64 ARG QD . . 5.120 4.233 3.595 4.554 . 0 0 "[ . 1 . 2]" 1
1544 1 47 PHE HB2 1 66 LYS HA . . 4.720 2.616 2.270 3.080 . 0 0 "[ . 1 . 2]" 1
1545 1 49 PHE QD 1 66 LYS HA . . 4.450 3.956 3.501 4.298 . 0 0 "[ . 1 . 2]" 1
1546 1 47 PHE QD 1 66 LYS HA . . 3.800 2.934 2.407 3.766 . 0 0 "[ . 1 . 2]" 1
1547 1 66 LYS HA 1 70 ARG H . . 5.500 4.714 3.975 5.040 . 0 0 "[ . 1 . 2]" 1
1548 1 49 PHE QE 1 66 LYS HB2 . . 5.030 4.676 4.483 4.895 . 0 0 "[ . 1 . 2]" 1
1549 1 67 GLN HA 1 70 ARG HG3 . . 4.870 3.429 3.014 4.102 . 0 0 "[ . 1 . 2]" 1
1550 1 17 MET ME 1 67 GLN HA . . 5.210 4.616 4.137 5.079 . 0 0 "[ . 1 . 2]" 1
1551 1 67 GLN HA 1 69 ALA MB . . 5.500 4.580 4.396 4.915 . 0 0 "[ . 1 . 2]" 1
1552 1 68 GLU QB 1 69 ALA HA . . 5.040 3.934 3.856 4.110 . 0 0 "[ . 1 . 2]" 1
1553 1 63 GLY HA3 1 68 GLU HG2 . . 5.040 4.305 2.777 4.998 . 0 0 "[ . 1 . 2]" 1
1554 1 63 GLY HA3 1 68 GLU HG3 . . 5.040 4.086 3.265 5.032 . 0 0 "[ . 1 . 2]" 1
1555 1 69 ALA HA 1 71 ASN H . . 4.880 4.441 4.324 4.580 . 0 0 "[ . 1 . 2]" 1
1556 1 63 GLY H 1 69 ALA HA . . 4.050 3.727 3.438 3.969 . 0 0 "[ . 1 . 2]" 1
1557 1 74 ALA HA 1 76 LEU H . . 4.470 4.373 4.170 4.460 . 0 0 "[ . 1 . 2]" 1
1558 1 63 GLY HA2 1 69 ALA HA . . 4.390 3.396 3.255 3.543 . 0 0 "[ . 1 . 2]" 1
1559 1 16 TYR HB3 1 74 ALA HA . . 5.500 4.467 4.204 4.659 . 0 0 "[ . 1 . 2]" 1
1560 1 49 PHE QB 1 69 ALA HA . . 5.500 4.007 3.868 4.320 . 0 0 "[ . 1 . 2]" 1
1561 1 68 GLU H 1 69 ALA MB . . 4.680 4.479 4.301 4.587 . 0 0 "[ . 1 . 2]" 1
1562 1 70 ARG HA 1 70 ARG HG2 . . 3.700 2.235 2.179 2.378 . 0 0 "[ . 1 . 2]" 1
1563 1 33 TYR QD 1 70 ARG HA . . 4.070 3.421 3.137 3.650 . 0 0 "[ . 1 . 2]" 1
1564 1 70 ARG HA 1 73 ALA H . . 4.380 3.826 3.586 4.089 . 0 0 "[ . 1 . 2]" 1
1565 1 70 ARG HA 1 74 ALA H . . 4.860 4.366 4.178 4.577 . 0 0 "[ . 1 . 2]" 1
1566 1 33 TYR QE 1 70 ARG HB2 . . 5.500 5.226 4.817 5.468 . 0 0 "[ . 1 . 2]" 1
1567 1 33 TYR QD 1 70 ARG HB2 . . 5.500 4.817 4.491 5.193 . 0 0 "[ . 1 . 2]" 1
1568 1 17 MET ME 1 70 ARG HG3 . . 4.880 4.313 3.957 4.625 . 0 0 "[ . 1 . 2]" 1
1569 1 69 ALA MB 1 70 ARG HG3 . . 5.150 3.860 3.697 4.017 . 0 0 "[ . 1 . 2]" 1
1570 1 33 TYR HB3 1 70 ARG HG3 . . 4.960 4.606 4.335 4.803 . 0 0 "[ . 1 . 2]" 1
1571 1 33 TYR QD 1 70 ARG HG3 . . 4.730 4.401 3.973 4.718 . 0 0 "[ . 1 . 2]" 1
1572 1 49 PHE QD 1 70 ARG HG3 . . 5.000 3.483 3.230 3.761 . 0 0 "[ . 1 . 2]" 1
1573 1 49 PHE QE 1 70 ARG HG3 . . 4.850 3.630 3.429 3.850 . 0 0 "[ . 1 . 2]" 1
1574 1 70 ARG HG3 1 71 ASN H . . 5.300 4.692 4.495 4.757 . 0 0 "[ . 1 . 2]" 1
1575 1 49 PHE QD 1 70 ARG HG2 . . 4.730 2.724 2.380 3.009 . 0 0 "[ . 1 . 2]" 1
1576 1 49 PHE QE 1 70 ARG HG2 . . 4.760 3.791 3.426 4.047 . 0 0 "[ . 1 . 2]" 1
1577 1 17 MET ME 1 70 ARG HG2 . . 5.140 4.240 3.912 4.660 . 0 0 "[ . 1 . 2]" 1
1578 1 69 ALA MB 1 70 ARG HG2 . . 5.500 4.446 4.294 4.647 . 0 0 "[ . 1 . 2]" 1
1579 1 70 ARG HG2 1 73 ALA MB . . 5.500 4.459 4.265 4.747 . 0 0 "[ . 1 . 2]" 1
1580 1 33 TYR HB3 1 70 ARG HD2 . . 5.210 4.822 4.472 5.096 . 0 0 "[ . 1 . 2]" 1
1581 1 67 GLN HA 1 70 ARG HD3 . . 5.500 5.073 4.583 5.389 . 0 0 "[ . 1 . 2]" 1
1582 1 71 ASN HA 1 75 LYS H . . 4.730 4.553 4.288 4.724 . 0 0 "[ . 1 . 2]" 1
1583 1 33 TYR QE 1 71 ASN HA . . 5.500 4.840 4.599 5.157 . 0 0 "[ . 1 . 2]" 1
1584 1 17 MET HA 1 71 ASN HA . . 4.700 4.514 4.358 4.695 . 0 0 "[ . 1 . 2]" 1
1585 1 16 TYR HB2 1 71 ASN HA . . 4.240 3.424 3.205 3.616 . 0 0 "[ . 1 . 2]" 1
1586 1 17 MET QG 1 71 ASN HA . . 3.150 2.052 1.971 2.180 . 0 0 "[ . 1 . 2]" 1
1587 1 71 ASN HA 1 74 ALA MB . . 3.260 2.737 2.584 2.978 . 0 0 "[ . 1 . 2]" 1
1588 1 71 ASN HB3 1 72 ALA MB . . 5.470 3.892 3.758 4.018 . 0 0 "[ . 1 . 2]" 1
1589 1 71 ASN HB2 1 72 ALA MB . . 5.470 5.197 5.068 5.337 . 0 0 "[ . 1 . 2]" 1
1590 1 68 GLU HA 1 71 ASN HB3 . . 3.840 3.278 2.991 3.587 . 0 0 "[ . 1 . 2]" 1
1591 1 16 TYR QD 1 72 ALA HA . . 4.470 4.183 3.836 4.446 . 0 0 "[ . 1 . 2]" 1
1592 1 72 ALA HA 1 75 LYS HB2 . . 3.840 3.040 2.815 3.326 . 0 0 "[ . 1 . 2]" 1
1593 1 72 ALA HA 1 75 LYS HB3 . . 3.140 3.103 3.020 3.147 0.007 13 0 "[ . 1 . 2]" 1
1594 1 72 ALA MB 1 75 LYS H . . 4.770 4.392 4.290 4.551 . 0 0 "[ . 1 . 2]" 1
1595 1 69 ALA H 1 72 ALA MB . . 4.960 4.759 4.622 4.877 . 0 0 "[ . 1 . 2]" 1
1596 1 49 PHE H 1 72 ALA MB . . 5.500 5.202 4.943 5.470 . 0 0 "[ . 1 . 2]" 1
1597 1 61 ALA H 1 72 ALA MB . . 5.500 4.850 4.588 5.161 . 0 0 "[ . 1 . 2]" 1
1598 1 72 ALA MB 1 76 LEU HG . . 4.900 4.586 4.409 4.762 . 0 0 "[ . 1 . 2]" 1
1599 1 49 PHE HA 1 73 ALA MB . . 5.250 4.305 4.148 4.385 . 0 0 "[ . 1 . 2]" 1
1600 1 73 ALA MB 1 76 LEU H . . 5.320 4.876 4.808 4.939 . 0 0 "[ . 1 . 2]" 1
1601 1 49 PHE QD 1 73 ALA MB . . 5.190 4.386 4.193 4.516 . 0 0 "[ . 1 . 2]" 1
1602 1 71 ASN H 1 74 ALA MB . . 5.500 4.773 4.638 4.960 . 0 0 "[ . 1 . 2]" 1
1603 1 72 ALA HA 1 75 LYS HA . . 5.330 5.144 4.992 5.288 . 0 0 "[ . 1 . 2]" 1
1604 1 74 ALA HA 1 75 LYS HA . . 4.890 4.879 4.831 4.898 0.008 3 0 "[ . 1 . 2]" 1
1605 1 16 TYR HB3 1 75 LYS HB2 . . 5.210 4.516 4.378 4.775 . 0 0 "[ . 1 . 2]" 1
1606 1 75 LYS HE3 1 75 LYS HG2 . . 4.080 3.027 2.188 3.743 . 0 0 "[ . 1 . 2]" 1
1607 1 75 LYS H 1 75 LYS HD3 . . 5.500 4.781 4.655 5.094 . 0 0 "[ . 1 . 2]" 1
1608 1 75 LYS H 1 75 LYS HD2 . . 5.500 5.085 4.749 5.284 . 0 0 "[ . 1 . 2]" 1
1609 1 76 LEU HA 1 80 ILE H . . 4.750 4.534 4.365 4.746 . 0 0 "[ . 1 . 2]" 1
1610 1 59 PRO HD2 1 76 LEU HB3 . . 4.880 3.959 3.854 4.034 . 0 0 "[ . 1 . 2]" 1
1611 1 75 LYS HB3 1 76 LEU HG . . 4.780 3.146 3.071 3.264 . 0 0 "[ . 1 . 2]" 1
1612 1 59 PRO HD3 1 76 LEU MD1 . . 5.360 4.663 4.595 4.726 . 0 0 "[ . 1 . 2]" 1
1613 1 73 ALA H 1 76 LEU MD1 . . 5.200 4.958 4.802 5.203 0.003 7 0 "[ . 1 . 2]" 1
1614 1 60 GLU H 1 76 LEU MD1 . . 4.720 4.580 4.422 4.702 . 0 0 "[ . 1 . 2]" 1
1615 1 76 LEU MD1 1 77 ALA H . . 4.470 4.395 4.317 4.456 . 0 0 "[ . 1 . 2]" 1
1616 1 76 LEU MD2 1 79 ASP H . . 5.500 5.479 5.368 5.503 0.003 14 0 "[ . 1 . 2]" 1
1617 1 75 LYS H 1 76 LEU MD2 . . 5.500 5.193 5.044 5.341 . 0 0 "[ . 1 . 2]" 1
1618 1 20 LEU MD2 1 77 ALA MB . . 3.690 2.435 2.121 2.594 . 0 0 "[ . 1 . 2]" 1
1619 1 78 VAL HA 1 81 LEU HA . . 5.500 5.359 5.249 5.473 . 0 0 "[ . 1 . 2]" 1
1620 1 20 LEU MD1 1 78 VAL HB . . 5.500 5.251 4.962 5.503 0.003 14 0 "[ . 1 . 2]" 1
1621 1 77 ALA MB 1 78 VAL HB . . 5.500 4.479 4.391 4.552 . 0 0 "[ . 1 . 2]" 1
1622 1 74 ALA MB 1 78 VAL HB . . 5.230 4.601 4.394 4.809 . 0 0 "[ . 1 . 2]" 1
1623 1 78 VAL HB 1 79 ASP HB2 . . 4.700 4.408 4.119 4.693 . 0 0 "[ . 1 . 2]" 1
1624 1 75 LYS HA 1 78 VAL HB . . 3.380 3.284 3.142 3.373 . 0 0 "[ . 1 . 2]" 1
1625 1 20 LEU H 1 78 VAL MG1 . . 5.050 4.748 4.419 5.035 . 0 0 "[ . 1 . 2]" 1
1626 1 19 LYS QB 1 78 VAL MG1 . . 3.430 2.672 2.365 2.925 . 0 0 "[ . 1 . 2]" 1
1627 1 20 LEU MD1 1 78 VAL MG1 . . 5.500 5.054 4.780 5.247 . 0 0 "[ . 1 . 2]" 1
1628 1 77 ALA MB 1 78 VAL MG1 . . 5.500 4.803 4.746 4.863 . 0 0 "[ . 1 . 2]" 1
1629 1 20 LEU MD2 1 78 VAL MG1 . . 4.900 4.073 3.611 4.468 . 0 0 "[ . 1 . 2]" 1
1630 1 76 LEU HA 1 79 ASP HB3 . . 4.220 3.546 3.067 4.162 . 0 0 "[ . 1 . 2]" 1
1631 1 79 ASP HB3 1 80 ILE HG13 . . 5.360 3.366 3.009 3.942 . 0 0 "[ . 1 . 2]" 1
1632 1 76 LEU MD2 1 79 ASP HB3 . . 5.280 4.825 4.485 5.244 . 0 0 "[ . 1 . 2]" 1
1633 1 78 VAL MG1 1 79 ASP HB2 . . 5.490 4.930 4.651 5.311 . 0 0 "[ . 1 . 2]" 1
1634 1 79 ASP HB2 1 80 ILE MD . . 5.500 5.029 4.386 5.496 . 0 0 "[ . 1 . 2]" 1
1635 1 77 ALA MB 1 80 ILE HB . . 5.500 4.344 4.135 4.534 . 0 0 "[ . 1 . 2]" 1
1636 1 80 ILE HB 1 81 LEU HG . . 4.610 3.481 3.351 3.602 . 0 0 "[ . 1 . 2]" 1
1637 1 79 ASP H 1 80 ILE HG13 . . 5.500 4.620 4.462 4.858 . 0 0 "[ . 1 . 2]" 1
1638 1 80 ILE HG13 1 81 LEU H . . 5.500 4.323 4.247 4.405 . 0 0 "[ . 1 . 2]" 1
1639 1 79 ASP HB2 1 80 ILE HG13 . . 5.250 4.266 3.509 4.876 . 0 0 "[ . 1 . 2]" 1
1640 1 80 ILE HG12 1 81 LEU H . . 5.120 4.984 4.889 5.086 . 0 0 "[ . 1 . 2]" 1
1641 1 80 ILE MG 1 83 ASN QB . . 5.260 3.760 3.498 4.205 . 0 0 "[ . 1 . 2]" 1
1642 1 80 ILE HG12 1 80 ILE MG . . 3.240 2.218 2.178 2.268 . 0 0 "[ . 1 . 2]" 1
1643 1 56 LYS QE 1 80 ILE MD . . 5.500 3.899 3.036 5.344 . 0 0 "[ . 1 . 2]" 1
1644 1 79 ASP HB3 1 80 ILE MD . . 5.200 4.579 4.166 5.160 . 0 0 "[ . 1 . 2]" 1
1645 1 59 PRO HB3 1 80 ILE MD . . 5.410 4.970 4.779 5.148 . 0 0 "[ . 1 . 2]" 1
1646 1 81 LEU HA 1 83 ASN H . . 5.500 4.102 3.679 4.869 . 0 0 "[ . 1 . 2]" 1
1647 1 81 LEU H 1 81 LEU HB3 . . 3.950 3.581 3.570 3.597 . 0 0 "[ . 1 . 2]" 1
1648 1 81 LEU HG 1 82 ASP H . . 4.970 4.008 3.867 4.108 . 0 0 "[ . 1 . 2]" 1
1649 1 58 PHE HZ 1 81 LEU HG . . 4.350 3.636 3.343 3.946 . 0 0 "[ . 1 . 2]" 1
1650 1 78 VAL HA 1 81 LEU HG . . 4.660 2.779 2.509 3.053 . 0 0 "[ . 1 . 2]" 1
1651 1 78 VAL MG2 1 81 LEU HG . . 4.680 4.395 4.212 4.574 . 0 0 "[ . 1 . 2]" 1
1652 1 20 LEU HA 1 81 LEU MD1 . . 5.190 3.515 3.329 3.775 . 0 0 "[ . 1 . 2]" 1
1653 1 23 TYR HB2 1 81 LEU MD1 . . 5.500 3.939 3.614 4.269 . 0 0 "[ . 1 . 2]" 1
1654 1 80 ILE HB 1 81 LEU MD1 . . 5.230 4.913 4.768 5.013 . 0 0 "[ . 1 . 2]" 1
1655 1 53 ILE HB 1 81 LEU MD1 . . 5.340 4.533 4.154 4.986 . 0 0 "[ . 1 . 2]" 1
1656 1 81 LEU HB3 1 81 LEU MD2 . . 3.160 2.369 2.310 2.475 . 0 0 "[ . 1 . 2]" 1
1657 1 81 LEU MD2 1 84 GLU QB . . 5.310 4.677 3.283 5.221 . 0 0 "[ . 1 . 2]" 1
1658 1 53 ILE HB 1 81 LEU MD2 . . 4.620 3.419 3.225 3.709 . 0 0 "[ . 1 . 2]" 1
1659 1 53 ILE MG 1 81 LEU MD2 . . 3.720 3.022 2.653 3.407 . 0 0 "[ . 1 . 2]" 1
1660 1 83 ASN QB 1 84 GLU HA . . 4.790 4.265 3.866 4.445 . 0 0 "[ . 1 . 2]" 1
1661 1 84 GLU QB 1 85 ASN H . . 4.050 3.578 2.893 3.861 . 0 0 "[ . 1 . 2]" 1
1662 1 83 ASN H 1 84 GLU QB . . 5.350 4.523 4.245 4.722 . 0 0 "[ . 1 . 2]" 1
1663 1 83 ASN QB 1 84 GLU QB . . 4.840 4.465 3.688 4.626 . 0 0 "[ . 1 . 2]" 1
1664 1 80 ILE MG 1 84 GLU QB . . 5.060 4.631 2.762 5.066 0.006 13 0 "[ . 1 . 2]" 1
1665 1 81 LEU HA 1 84 GLU HG2 . . 4.760 3.381 2.234 4.612 . 0 0 "[ . 1 . 2]" 1
1666 1 81 LEU HA 1 84 GLU HG3 . . 4.760 3.604 2.527 4.492 . 0 0 "[ . 1 . 2]" 1
1667 1 86 LYS HA 1 87 VAL MG1 . . 5.500 4.251 3.262 5.485 . 0 0 "[ . 1 . 2]" 1
1668 1 86 LYS HA 1 87 VAL MG2 . . 5.500 4.420 3.511 5.467 . 0 0 "[ . 1 . 2]" 1
1669 1 40 GLY HA2 1 45 ARG HA . . 5.500 5.390 5.125 5.500 0.000 7 0 "[ . 1 . 2]" 1
1670 1 41 PRO HD2 1 45 ARG HA . . 5.040 3.988 3.736 4.132 . 0 0 "[ . 1 . 2]" 1
1671 1 40 GLY HA3 1 45 ARG HA . . 4.110 3.703 3.415 3.835 . 0 0 "[ . 1 . 2]" 1
1672 1 50 GLN HA 1 60 GLU HA . . 3.530 2.395 2.268 2.589 . 0 0 "[ . 1 . 2]" 1
1673 1 33 TYR HA 1 51 VAL HA . . 3.690 2.389 2.302 2.452 . 0 0 "[ . 1 . 2]" 1
1674 1 50 GLN HB2 1 59 PRO HA . . 5.210 4.746 4.639 4.853 . 0 0 "[ . 1 . 2]" 1
1675 1 59 PRO HA 1 60 GLU HB3 . . 5.500 4.625 4.532 4.705 . 0 0 "[ . 1 . 2]" 1
1676 1 33 TYR HA 1 34 LYS HB3 . . 5.130 4.862 4.688 4.968 . 0 0 "[ . 1 . 2]" 1
1677 1 33 TYR HA 1 34 LYS HB2 . . 5.070 4.460 4.382 4.581 . 0 0 "[ . 1 . 2]" 1
1678 1 32 THR HA 1 33 TYR HA . . 4.510 4.380 4.374 4.383 . 0 0 "[ . 1 . 2]" 1
1679 1 31 ILE HA 1 32 THR HA . . 4.860 4.405 4.398 4.417 . 0 0 "[ . 1 . 2]" 1
1680 1 33 TYR HA 1 34 LYS HA . . 4.590 4.426 4.414 4.436 . 0 0 "[ . 1 . 2]" 1
1681 1 8 MET HA 1 8 MET QG . . 3.730 2.735 2.245 3.450 . 0 0 "[ . 1 . 2]" 1
1682 1 12 THR HB 1 14 GLY QA . . 5.340 4.714 4.162 5.344 0.004 3 0 "[ . 1 . 2]" 1
1683 1 12 THR MG 1 13 PRO QG . . 3.920 2.957 2.835 3.054 . 0 0 "[ . 1 . 2]" 1
1684 1 13 PRO QB 1 14 GLY QA . . 5.180 3.889 3.622 4.169 . 0 0 "[ . 1 . 2]" 1
1685 1 14 GLY QA 1 71 ASN QB . . 4.290 3.045 2.495 3.858 . 0 0 "[ . 1 . 2]" 1
1686 1 15 PHE QE 1 19 LYS QE . . 3.990 3.095 1.982 3.990 . 12 0 "[ . 1 . 2]" 1
1687 1 16 TYR HA 1 19 LYS QG . . 3.660 2.347 2.043 2.514 . 0 0 "[ . 1 . 2]" 1
1688 1 16 TYR QD 1 19 LYS QG . . 4.630 3.637 3.350 3.795 . 0 0 "[ . 1 . 2]" 1
1689 1 16 TYR QD 1 19 LYS QE . . 3.520 1.911 1.820 2.052 . 0 0 "[ . 1 . 2]" 1
1690 1 16 TYR QD 1 75 LYS QG . . 4.500 3.780 3.540 4.134 . 0 0 "[ . 1 . 2]" 1
1691 1 16 TYR QD 1 75 LYS QD . . 4.490 3.808 3.578 4.106 . 0 0 "[ . 1 . 2]" 1
1692 1 16 TYR QE 1 19 LYS QE . . 3.770 2.815 2.653 2.997 . 0 0 "[ . 1 . 2]" 1
1693 1 16 TYR QE 1 75 LYS QG . . 4.260 2.623 2.228 3.189 . 0 0 "[ . 1 . 2]" 1
1694 1 16 TYR QE 1 75 LYS QD . . 3.590 2.224 1.988 2.621 . 0 0 "[ . 1 . 2]" 1
1695 1 16 TYR QE 1 75 LYS QE . . 4.290 3.693 2.614 4.291 0.001 10 0 "[ . 1 . 2]" 1
1696 1 17 MET H 1 17 MET QB . . 3.080 2.386 2.265 2.540 . 0 0 "[ . 1 . 2]" 1
1697 1 17 MET QB 1 17 MET ME . . 2.960 2.032 1.949 2.186 . 0 0 "[ . 1 . 2]" 1
1698 1 17 MET QB 1 18 ASP H . . 3.340 2.681 2.453 2.887 . 0 0 "[ . 1 . 2]" 1
1699 1 17 MET QB 1 74 ALA MB . . 5.120 4.024 3.877 4.216 . 0 0 "[ . 1 . 2]" 1
1700 1 17 MET QG 1 71 ASN QD . . 5.340 4.288 1.895 5.209 . 0 0 "[ . 1 . 2]" 1
1701 1 18 ASP HB3 1 19 LYS QG . . 5.340 4.105 3.943 4.297 . 0 0 "[ . 1 . 2]" 1
1702 1 19 LYS HA 1 19 LYS QG . . 3.190 2.361 2.300 2.494 . 0 0 "[ . 1 . 2]" 1
1703 1 19 LYS HA 1 19 LYS QE . . 5.320 4.594 4.474 4.868 . 0 0 "[ . 1 . 2]" 1
1704 1 19 LYS HA 1 22 LYS QG . . 4.450 3.877 3.274 4.230 . 0 0 "[ . 1 . 2]" 1
1705 1 19 LYS HA 1 22 LYS QD . . 4.080 2.800 2.194 4.046 . 0 0 "[ . 1 . 2]" 1
1706 1 19 LYS QB 1 19 LYS QE . . 3.510 2.349 2.075 3.363 . 0 0 "[ . 1 . 2]" 1
1707 1 19 LYS QE 1 19 LYS QG . . 2.910 2.236 2.112 2.448 . 0 0 "[ . 1 . 2]" 1
1708 1 19 LYS QE 1 78 VAL MG1 . . 3.280 2.155 1.938 3.257 . 0 0 "[ . 1 . 2]" 1
1709 1 19 LYS QE 1 78 VAL MG2 . . 4.090 2.892 2.438 3.848 . 0 0 "[ . 1 . 2]" 1
1710 1 21 ASN QB 1 22 LYS QG . . 4.350 3.658 3.253 4.222 . 0 0 "[ . 1 . 2]" 1
1711 1 22 LYS H 1 22 LYS QG . . 3.270 2.638 2.087 3.238 . 0 0 "[ . 1 . 2]" 1
1712 1 22 LYS H 1 22 LYS QD . . 4.310 3.669 1.989 4.208 . 0 0 "[ . 1 . 2]" 1
1713 1 22 LYS HA 1 22 LYS QG . . 3.080 2.324 2.180 2.409 . 0 0 "[ . 1 . 2]" 1
1714 1 22 LYS QB 1 22 LYS QD . . 3.130 2.133 2.041 2.249 . 0 0 "[ . 1 . 2]" 1
1715 1 23 TYR HA 1 26 MET QB . . 3.150 2.511 2.136 3.087 . 0 0 "[ . 1 . 2]" 1
1716 1 23 TYR HA 1 26 MET QG . . 4.630 3.899 2.221 4.629 . 0 0 "[ . 1 . 2]" 1
1717 1 24 ARG H 1 24 ARG QD . . 4.570 4.004 3.887 4.082 . 0 0 "[ . 1 . 2]" 1
1718 1 24 ARG HA 1 24 ARG QD . . 4.350 4.218 4.202 4.252 . 0 0 "[ . 1 . 2]" 1
1719 1 24 ARG HB3 1 24 ARG QD . . 3.020 2.431 2.304 2.516 . 0 0 "[ . 1 . 2]" 1
1720 1 24 ARG QD 1 25 GLN H . . 4.710 4.347 4.145 4.488 . 0 0 "[ . 1 . 2]" 1
1721 1 24 ARG QD 1 30 ALA HA . . 4.550 3.606 3.406 3.775 . 0 0 "[ . 1 . 2]" 1
1722 1 24 ARG QD 1 31 ILE H . . 4.140 2.665 2.504 2.838 . 0 0 "[ . 1 . 2]" 1
1723 1 24 ARG QD 1 31 ILE HG12 . . 4.210 3.914 3.596 4.190 . 0 0 "[ . 1 . 2]" 1
1724 1 24 ARG QD 1 31 ILE HG13 . . 3.870 2.421 2.069 2.774 . 0 0 "[ . 1 . 2]" 1
1725 1 24 ARG QD 1 31 ILE MD . . 3.850 2.556 2.207 2.892 . 0 0 "[ . 1 . 2]" 1
1726 1 25 GLN H 1 25 GLN QB . . 2.770 2.477 2.334 2.696 . 0 0 "[ . 1 . 2]" 1
1727 1 25 GLN QB 1 25 GLN QG . . 2.350 2.077 2.017 2.086 . 0 0 "[ . 1 . 2]" 1
1728 1 25 GLN QB 1 26 MET H . . 3.870 3.386 2.354 3.697 . 0 0 "[ . 1 . 2]" 1
1729 1 25 GLN QG 1 26 MET H . . 4.070 2.763 2.141 4.033 . 0 0 "[ . 1 . 2]" 1
1730 1 26 MET H 1 26 MET QB . . 3.050 2.227 2.155 2.327 . 0 0 "[ . 1 . 2]" 1
1731 1 26 MET H 1 26 MET QG . . 4.380 3.412 2.582 4.009 . 0 0 "[ . 1 . 2]" 1
1732 1 26 MET HA 1 26 MET QG . . 3.260 2.402 2.123 3.271 0.011 4 0 "[ . 1 . 2]" 1
1733 1 26 MET QB 1 26 MET ME . . 4.060 2.332 1.780 3.134 . 0 0 "[ . 1 . 2]" 1
1734 1 26 MET QB 1 27 HIS HD2 . . 4.010 2.807 2.506 4.008 . 0 0 "[ . 1 . 2]" 1
1735 1 26 MET QG 1 27 HIS H . . 4.450 3.720 1.861 4.303 . 0 0 "[ . 1 . 2]" 1
1736 1 26 MET QG 1 27 HIS HD2 . . 4.840 3.983 1.983 4.791 . 0 0 "[ . 1 . 2]" 1
1737 1 29 VAL HB 1 54 ASP QB . . 4.340 3.083 2.903 3.270 . 0 0 "[ . 1 . 2]" 1
1738 1 34 LYS HA 1 35 GLU QB . . 4.590 4.056 4.014 4.084 . 0 0 "[ . 1 . 2]" 1
1739 1 35 GLU H 1 35 GLU QG . . 4.410 3.971 3.853 4.085 . 0 0 "[ . 1 . 2]" 1
1740 1 35 GLU HA 1 35 GLU QG . . 3.130 2.582 2.479 2.682 . 0 0 "[ . 1 . 2]" 1
1741 1 35 GLU QB 1 49 PHE QE . . 3.700 2.554 2.082 2.754 . 0 0 "[ . 1 . 2]" 1
1742 1 35 GLU QG 1 36 LEU H . . 3.380 3.039 2.604 3.378 . 0 0 "[ . 1 . 2]" 1
1743 1 35 GLU QG 1 49 PHE HA . . 5.340 4.906 4.653 5.170 . 0 0 "[ . 1 . 2]" 1
1744 1 35 GLU QG 1 49 PHE QE . . 4.120 3.175 2.901 3.398 . 0 0 "[ . 1 . 2]" 1
1745 1 36 LEU HB2 1 37 SER QB . . 5.170 4.903 4.625 5.171 0.001 20 0 "[ . 1 . 2]" 1
1746 1 36 LEU HB3 1 37 SER QB . . 5.030 4.163 3.918 4.723 . 0 0 "[ . 1 . 2]" 1
1747 1 36 LEU MD1 1 50 GLN QE . . 4.260 4.144 3.892 4.260 0.000 8 0 "[ . 1 . 2]" 1
1748 1 36 LEU MD1 1 60 GLU QG . . 3.350 2.280 2.070 2.801 . 0 0 "[ . 1 . 2]" 1
1749 1 36 LEU MD2 1 50 GLN QE . . 5.120 4.037 3.849 4.215 . 0 0 "[ . 1 . 2]" 1
1750 1 37 SER QB 1 38 THR H . . 3.690 2.448 1.945 3.114 . 0 0 "[ . 1 . 2]" 1
1751 1 39 SER QB 1 40 GLY H . . 3.930 3.211 2.477 3.658 . 0 0 "[ . 1 . 2]" 1
1752 1 39 SER QB 1 62 LYS QD . . 5.340 4.524 3.600 5.299 . 0 0 "[ . 1 . 2]" 1
1753 1 41 PRO QB 1 42 PRO QD . . 2.840 1.943 1.930 1.975 . 0 0 "[ . 1 . 2]" 1
1754 1 41 PRO QB 1 43 HIS HE1 . . 3.500 2.402 2.085 2.625 . 0 0 "[ . 1 . 2]" 1
1755 1 41 PRO QB 1 44 ASP H . . 4.590 2.816 2.713 2.899 . 0 0 "[ . 1 . 2]" 1
1756 1 41 PRO QG 1 43 HIS HE1 . . 3.720 3.152 2.205 3.679 . 0 0 "[ . 1 . 2]" 1
1757 1 41 PRO QG 1 44 ASP QB . . 2.960 2.152 1.953 2.313 . 0 0 "[ . 1 . 2]" 1
1758 1 41 PRO HD2 1 44 ASP QB . . 3.610 3.505 3.236 3.610 . 0 0 "[ . 1 . 2]" 1
1759 1 42 PRO QG 1 43 HIS H . . 5.010 2.055 1.903 2.317 . 0 0 "[ . 1 . 2]" 1
1760 1 43 HIS HD2 1 44 ASP QB . . 3.880 2.204 1.989 2.968 . 0 0 "[ . 1 . 2]" 1
1761 1 46 ARG H 1 46 ARG QG . . 3.150 2.802 2.290 3.017 . 0 0 "[ . 1 . 2]" 1
1762 1 46 ARG HB2 1 46 ARG QG . . 2.480 2.152 2.144 2.162 . 0 0 "[ . 1 . 2]" 1
1763 1 46 ARG QG 1 64 ARG HA . . 5.340 4.348 3.803 5.115 . 0 0 "[ . 1 . 2]" 1
1764 1 47 PHE H 1 47 PHE QB . . 3.470 2.581 2.459 2.633 . 0 0 "[ . 1 . 2]" 1
1765 1 47 PHE HA 1 66 LYS QD . . 5.230 4.609 3.976 5.141 . 0 0 "[ . 1 . 2]" 1
1766 1 47 PHE QB 1 48 THR H . . 3.510 3.231 3.031 3.409 . 0 0 "[ . 1 . 2]" 1
1767 1 47 PHE QB 1 66 LYS HA . . 4.070 2.507 2.183 2.957 . 0 0 "[ . 1 . 2]" 1
1768 1 47 PHE QB 1 66 LYS QG . . 4.610 3.658 3.097 4.229 . 0 0 "[ . 1 . 2]" 1
1769 1 47 PHE QB 1 66 LYS QD . . 3.810 2.413 1.992 2.859 . 0 0 "[ . 1 . 2]" 1
1770 1 47 PHE QB 1 69 ALA MB . . 3.430 2.614 2.405 2.814 . 0 0 "[ . 1 . 2]" 1
1771 1 47 PHE QD 1 66 LYS QG . . 5.010 3.688 2.851 4.838 . 0 0 "[ . 1 . 2]" 1
1772 1 47 PHE QD 1 66 LYS QD . . 4.720 3.066 1.980 3.960 . 0 0 "[ . 1 . 2]" 1
1773 1 47 PHE QD 1 66 LYS QE . . 3.830 3.173 2.472 3.841 0.011 3 0 "[ . 1 . 2]" 1
1774 1 47 PHE QE 1 66 LYS QD . . 5.340 4.049 2.908 4.904 . 0 0 "[ . 1 . 2]" 1
1775 1 47 PHE QE 1 66 LYS QE . . 3.910 3.369 2.910 3.893 . 0 0 "[ . 1 . 2]" 1
1776 1 47 PHE HZ 1 66 LYS QE . . 5.340 4.182 3.399 5.342 0.002 3 0 "[ . 1 . 2]" 1
1777 1 48 THR MG 1 60 GLU QG . . 3.390 1.976 1.875 2.340 . 0 0 "[ . 1 . 2]" 1
1778 1 49 PHE QE 1 66 LYS QB . . 4.330 3.667 3.140 4.329 . 0 0 "[ . 1 . 2]" 1
1779 1 49 PHE QE 1 66 LYS QG . . 4.060 3.309 1.985 4.048 . 0 0 "[ . 1 . 2]" 1
1780 1 49 PHE QE 1 66 LYS QE . . 4.450 3.781 3.063 4.452 0.002 20 0 "[ . 1 . 2]" 1
1781 1 50 GLN HB2 1 50 GLN QE . . 3.690 2.283 2.158 2.460 . 0 0 "[ . 1 . 2]" 1
1782 1 50 GLN HB3 1 50 GLN QE . . 3.570 3.279 3.142 3.365 . 0 0 "[ . 1 . 2]" 1
1783 1 50 GLN QE 1 57 GLU QB . . 3.370 3.082 2.837 3.370 . 0 0 "[ . 1 . 2]" 1
1784 1 50 GLN QE 1 57 GLU HG3 . . 4.750 4.533 4.399 4.734 . 0 0 "[ . 1 . 2]" 1
1785 1 50 GLN QE 1 58 PHE H . . 4.570 2.977 2.633 3.301 . 0 0 "[ . 1 . 2]" 1
1786 1 50 GLN QE 1 59 PRO HA . . 4.710 4.486 4.268 4.656 . 0 0 "[ . 1 . 2]" 1
1787 1 50 GLN QE 1 60 GLU H . . 4.670 3.763 3.513 3.937 . 0 0 "[ . 1 . 2]" 1
1788 1 53 ILE MG 1 54 ASP QB . . 4.080 2.602 2.415 2.796 . 0 0 "[ . 1 . 2]" 1
1789 1 54 ASP HA 1 55 GLU QG . . 5.340 3.680 3.112 4.251 . 0 0 "[ . 1 . 2]" 1
1790 1 54 ASP QB 1 55 GLU H . . 4.350 3.911 3.874 3.933 . 0 0 "[ . 1 . 2]" 1
1791 1 54 ASP QB 1 56 LYS H . . 4.110 3.824 3.698 4.025 . 0 0 "[ . 1 . 2]" 1
1792 1 55 GLU H 1 55 GLU QB . . 3.650 3.315 3.180 3.418 . 0 0 "[ . 1 . 2]" 1
1793 1 55 GLU HA 1 55 GLU QG . . 3.420 2.481 2.261 2.874 . 0 0 "[ . 1 . 2]" 1
1794 1 55 GLU QB 1 56 LYS H . . 4.340 3.770 3.731 3.832 . 0 0 "[ . 1 . 2]" 1
1795 1 56 LYS HA 1 56 LYS QG . . 3.480 2.408 2.345 2.438 . 0 0 "[ . 1 . 2]" 1
1796 1 56 LYS QG 1 57 GLU H . . 3.480 2.324 2.005 2.616 . 0 0 "[ . 1 . 2]" 1
1797 1 56 LYS QG 1 58 PHE QE . . 4.440 3.815 3.622 4.049 . 0 0 "[ . 1 . 2]" 1
1798 1 56 LYS QG 1 58 PHE HZ . . 5.050 4.893 4.663 5.034 . 0 0 "[ . 1 . 2]" 1
1799 1 59 PRO HA 1 60 GLU QG . . 4.880 4.518 3.773 4.680 . 0 0 "[ . 1 . 2]" 1
1800 1 60 GLU H 1 60 GLU QG . . 3.130 3.010 2.178 3.135 0.005 10 0 "[ . 1 . 2]" 1
1801 1 60 GLU QG 1 61 ALA H . . 4.000 3.215 3.004 3.831 . 0 0 "[ . 1 . 2]" 1
1802 1 60 GLU QG 1 61 ALA HA . . 5.250 3.565 3.354 4.646 . 0 0 "[ . 1 . 2]" 1
1803 1 63 GLY HA2 1 68 GLU QG . . 4.090 3.339 2.480 3.797 . 0 0 "[ . 1 . 2]" 1
1804 1 63 GLY HA3 1 68 GLU QG . . 4.180 3.500 2.744 3.831 . 0 0 "[ . 1 . 2]" 1
1805 1 64 ARG H 1 64 ARG QG . . 4.020 3.521 2.012 4.037 0.017 8 0 "[ . 1 . 2]" 1
1806 1 64 ARG HA 1 64 ARG QG . . 3.210 2.357 2.186 2.641 . 0 0 "[ . 1 . 2]" 1
1807 1 64 ARG QB 1 64 ARG QD . . 2.970 2.187 2.041 2.365 . 0 0 "[ . 1 . 2]" 1
1808 1 64 ARG QB 1 65 SER H . . 4.140 2.227 2.136 2.399 . 0 0 "[ . 1 . 2]" 1
1809 1 64 ARG QG 1 65 SER H . . 4.450 3.818 2.990 4.256 . 0 0 "[ . 1 . 2]" 1
1810 1 65 SER H 1 65 SER QB . . 3.700 2.568 2.323 2.990 . 0 0 "[ . 1 . 2]" 1
1811 1 65 SER H 1 68 GLU QG . . 4.310 3.309 3.021 3.786 . 0 0 "[ . 1 . 2]" 1
1812 1 65 SER QB 1 67 GLN H . . 4.770 3.180 2.790 3.736 . 0 0 "[ . 1 . 2]" 1
1813 1 65 SER QB 1 68 GLU H . . 3.850 2.902 2.346 3.665 . 0 0 "[ . 1 . 2]" 1
1814 1 65 SER QB 1 68 GLU QB . . 4.360 2.804 2.113 3.596 . 0 0 "[ . 1 . 2]" 1
1815 1 66 LYS HA 1 66 LYS QG . . 3.210 2.621 2.367 2.791 . 0 0 "[ . 1 . 2]" 1
1816 1 66 LYS HA 1 66 LYS QD . . 3.370 2.206 1.988 2.498 . 0 0 "[ . 1 . 2]" 1
1817 1 66 LYS QB 1 66 LYS QD . . 3.090 2.338 2.122 2.631 . 0 0 "[ . 1 . 2]" 1
1818 1 66 LYS QB 1 67 GLN H . . 4.040 2.395 2.091 2.595 . 0 0 "[ . 1 . 2]" 1
1819 1 66 LYS QB 1 67 GLN HB2 . . 4.340 4.031 3.652 4.338 . 0 0 "[ . 1 . 2]" 1
1820 1 66 LYS QE 1 66 LYS QG . . 3.080 2.228 2.020 2.672 . 0 0 "[ . 1 . 2]" 1
1821 1 66 LYS QG 1 67 GLN H . . 5.340 4.037 3.637 4.469 . 0 0 "[ . 1 . 2]" 1
1822 1 67 GLN HA 1 67 GLN QE . . 5.340 3.804 2.124 4.748 . 0 0 "[ . 1 . 2]" 1
1823 1 68 GLU H 1 68 GLU QG . . 4.030 3.999 3.897 4.033 0.003 17 0 "[ . 1 . 2]" 1
1824 1 68 GLU QG 1 69 ALA H . . 4.340 4.123 3.746 4.305 . 0 0 "[ . 1 . 2]" 1
1825 1 68 GLU QG 1 69 ALA HA . . 5.340 4.308 3.824 4.543 . 0 0 "[ . 1 . 2]" 1
1826 1 68 GLU QG 1 72 ALA MB . . 4.230 4.007 3.718 4.229 . 0 0 "[ . 1 . 2]" 1
1827 1 71 ASN QB 1 72 ALA H . . 3.540 2.439 2.205 2.658 . 0 0 "[ . 1 . 2]" 1
1828 1 71 ASN QB 1 72 ALA MB . . 4.740 3.788 3.665 3.907 . 0 0 "[ . 1 . 2]" 1
1829 1 71 ASN QB 1 74 ALA MB . . 5.340 4.440 4.317 4.596 . 0 0 "[ . 1 . 2]" 1
1830 1 71 ASN QD 1 74 ALA MB . . 5.340 4.593 3.419 5.328 . 0 0 "[ . 1 . 2]" 1
1831 1 75 LYS H 1 75 LYS QG . . 4.260 3.968 3.959 3.973 . 0 0 "[ . 1 . 2]" 1
1832 1 75 LYS H 1 75 LYS QD . . 4.740 4.370 4.357 4.390 . 0 0 "[ . 1 . 2]" 1
1833 1 75 LYS HA 1 75 LYS QG . . 3.270 2.478 2.413 2.595 . 0 0 "[ . 1 . 2]" 1
1834 1 75 LYS HA 1 75 LYS QD . . 4.220 3.955 3.870 4.048 . 0 0 "[ . 1 . 2]" 1
1835 1 75 LYS HB3 1 75 LYS QD . . 3.390 2.400 2.288 2.551 . 0 0 "[ . 1 . 2]" 1
1836 1 75 LYS QE 1 75 LYS QG . . 3.140 2.191 2.057 2.355 . 0 0 "[ . 1 . 2]" 1
1837 1 75 LYS QG 1 76 LEU H . . 3.980 3.383 3.177 3.529 . 0 0 "[ . 1 . 2]" 1
1838 1 75 LYS QG 1 78 VAL HB . . 5.340 4.669 4.550 4.812 . 0 0 "[ . 1 . 2]" 1
1839 1 75 LYS QG 1 79 ASP H . . 5.340 4.528 4.361 4.639 . 0 0 "[ . 1 . 2]" 1
1840 1 78 VAL MG1 1 82 ASP QB . . 4.200 3.594 3.096 3.813 . 0 0 "[ . 1 . 2]" 1
1841 1 79 ASP HA 1 82 ASP QB . . 3.690 3.226 2.780 3.440 . 0 0 "[ . 1 . 2]" 1
1842 1 80 ILE MG 1 84 GLU QG . . 4.550 4.117 1.965 4.551 0.001 16 0 "[ . 1 . 2]" 1
1843 1 81 LEU H 1 82 ASP QB . . 4.960 4.613 4.468 4.741 . 0 0 "[ . 1 . 2]" 1
1844 1 81 LEU HA 1 84 GLU QG . . 4.080 2.840 2.222 3.983 . 0 0 "[ . 1 . 2]" 1
1845 1 82 ASP H 1 82 ASP QB . . 2.950 2.251 2.164 2.292 . 0 0 "[ . 1 . 2]" 1
1846 1 82 ASP QB 1 83 ASN H . . 3.250 2.672 2.387 2.964 . 0 0 "[ . 1 . 2]" 1
1847 1 84 GLU H 1 84 GLU QG . . 3.770 3.119 2.244 3.838 0.068 8 0 "[ . 1 . 2]" 1
1848 1 84 GLU HA 1 84 GLU QG . . 3.540 2.388 2.126 3.155 . 0 0 "[ . 1 . 2]" 1
1849 1 84 GLU QB 1 85 ASN QB . . 5.320 4.528 3.345 5.151 . 0 0 "[ . 1 . 2]" 1
1850 1 85 ASN H 1 85 ASN QB . . 3.630 2.448 2.207 3.146 . 0 0 "[ . 1 . 2]" 1
1851 1 86 LYS H 1 86 LYS QG . . 4.080 3.560 2.110 4.077 . 0 0 "[ . 1 . 2]" 1
1852 1 86 LYS QB 1 87 VAL H . . 4.170 3.463 1.938 3.987 . 0 0 "[ . 1 . 2]" 1
1853 1 86 LYS QG 1 87 VAL H . . 4.380 3.387 2.080 4.390 0.010 11 0 "[ . 1 . 2]" 1
1854 1 87 VAL H 1 87 VAL QG . . 3.830 2.102 1.828 2.553 . 0 0 "[ . 1 . 2]" 1
1855 1 87 VAL QG 1 88 ASP H . . 4.690 2.657 1.875 3.602 . 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 4
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 241.259
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0896
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1508
_Distance_constraint_stats_list.Viol_average_violations_only 0.1800
_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 32 THR 3.419 0.205 15 0 "[ . 1 . 2]"
1 49 PHE 8.644 0.250 10 0 "[ . 1 . 2]"
1 52 LEU 3.419 0.205 15 0 "[ . 1 . 2]"
1 61 ALA 8.644 0.250 10 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 32 THR O 1 52 LEU H . . 1.800 1.967 1.925 2.005 0.205 15 0 "[ . 1 . 2]" 2
2 1 32 THR O 1 52 LEU N . . 2.700 2.702 2.694 2.729 0.029 7 0 "[ . 1 . 2]" 2
3 1 49 PHE H 1 61 ALA O . . 1.800 2.002 1.989 2.012 0.212 10 0 "[ . 1 . 2]" 2
4 1 49 PHE N 1 61 ALA O . . 2.700 2.930 2.900 2.950 0.250 10 0 "[ . 1 . 2]" 2
stop_
save_
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