NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503479 |
2rpr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpr
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 1829
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 12.206
_Distance_constraint_stats_list.Viol_max 0.014
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0035
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.002 0.001 19 0 "[ . 1 . 2]"
1 9 ARG 0.003 0.003 4 0 "[ . 1 . 2]"
1 10 PRO 0.003 0.003 4 0 "[ . 1 . 2]"
1 11 LEU 0.001 0.001 3 0 "[ . 1 . 2]"
1 12 GLU 0.029 0.006 7 0 "[ . 1 . 2]"
1 13 PHE 0.015 0.006 8 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 5 0 "[ . 1 . 2]"
1 15 ARG 0.001 0.001 1 0 "[ . 1 . 2]"
1 16 THR 0.001 0.001 10 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.045 0.010 20 0 "[ . 1 . 2]"
1 22 PHE 0.074 0.011 9 0 "[ . 1 . 2]"
1 23 LEU 0.030 0.006 6 0 "[ . 1 . 2]"
1 24 VAL 0.025 0.006 6 0 "[ . 1 . 2]"
1 25 HIS 0.001 0.001 3 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.004 0.004 14 0 "[ . 1 . 2]"
1 28 PHE 0.064 0.013 12 0 "[ . 1 . 2]"
1 29 LEU 0.019 0.007 20 0 "[ . 1 . 2]"
1 30 TYR 0.026 0.007 16 0 "[ . 1 . 2]"
1 31 ARG 0.008 0.007 17 0 "[ . 1 . 2]"
1 32 LYS 0.002 0.002 3 0 "[ . 1 . 2]"
1 33 GLU 0.002 0.002 3 0 "[ . 1 . 2]"
1 34 LYS 0.041 0.014 19 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 6 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.016 0.008 16 0 "[ . 1 . 2]"
1 40 VAL 0.002 0.001 19 0 "[ . 1 . 2]"
1 41 TYR 0.006 0.003 19 0 "[ . 1 . 2]"
1 42 TRP 0.024 0.009 18 0 "[ . 1 . 2]"
1 43 MET 0.007 0.007 17 0 "[ . 1 . 2]"
1 44 CYS 0.002 0.001 1 0 "[ . 1 . 2]"
1 45 ARG 0.114 0.011 9 0 "[ . 1 . 2]"
1 46 ASP 0.001 0.001 16 0 "[ . 1 . 2]"
1 47 GLN 0.001 0.001 14 0 "[ . 1 . 2]"
1 48 ALA 0.001 0.001 14 0 "[ . 1 . 2]"
1 49 ARG 0.001 0.001 13 0 "[ . 1 . 2]"
1 50 LEU 0.001 0.001 16 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.008 0.007 7 0 "[ . 1 . 2]"
1 53 ARG 0.010 0.010 10 0 "[ . 1 . 2]"
1 54 SER 0.021 0.007 12 0 "[ . 1 . 2]"
1 55 ARG 0.018 0.005 16 0 "[ . 1 . 2]"
1 56 ALA 0.013 0.005 16 0 "[ . 1 . 2]"
1 57 ILE 0.022 0.008 18 0 "[ . 1 . 2]"
1 58 THR 0.003 0.002 16 0 "[ . 1 . 2]"
1 59 GLN 0.007 0.002 4 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.003 0.001 19 0 "[ . 1 . 2]"
1 62 ARG 0.021 0.009 15 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 9 0 "[ . 1 . 2]"
1 64 MET 0.012 0.008 18 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 17 0 "[ . 1 . 2]"
1 66 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.018 0.007 12 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 HIS 0.006 0.005 12 0 "[ . 1 . 2]"
1 70 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 HIS 0.074 0.013 12 0 "[ . 1 . 2]"
1 72 GLN 0.002 0.002 12 0 "[ . 1 . 2]"
1 73 PRO 0.002 0.002 12 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.004 0.004 14 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 5 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 18 0 "[ . 1 . 2]"
1 81 LEU 0.017 0.010 18 0 "[ . 1 . 2]"
1 82 ARG 0.023 0.008 4 0 "[ . 1 . 2]"
1 83 GLN 0.083 0.008 7 0 "[ . 1 . 2]"
1 84 ARG 0.019 0.010 18 0 "[ . 1 . 2]"
1 85 GLU 0.001 0.001 19 0 "[ . 1 . 2]"
1 86 ARG 0.005 0.005 18 0 "[ . 1 . 2]"
1 87 LEU 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 33 GLU H 1 43 MET H . . 4.460 4.110 3.388 4.396 . 0 0 "[ . 1 . 2]" 1
2 1 33 GLU H 1 41 TYR H . . 4.920 4.489 4.239 4.732 . 0 0 "[ . 1 . 2]" 1
3 1 33 GLU H 1 42 TRP HE3 . . 5.010 4.741 4.533 4.893 . 0 0 "[ . 1 . 2]" 1
4 1 33 GLU H 1 42 TRP HA . . 3.310 2.435 2.295 2.557 . 0 0 "[ . 1 . 2]" 1
5 1 33 GLU H 1 41 TYR HB3 . . 4.820 4.164 3.649 4.574 . 0 0 "[ . 1 . 2]" 1
6 1 33 GLU H 1 41 TYR HB2 . . 4.680 3.792 3.439 4.106 . 0 0 "[ . 1 . 2]" 1
7 1 33 GLU H 1 43 MET HG2 . . 4.740 4.104 3.612 4.453 . 0 0 "[ . 1 . 2]" 1
8 1 33 GLU H 1 33 GLU HG2 . . 4.920 4.512 4.333 4.718 . 0 0 "[ . 1 . 2]" 1
9 1 33 GLU H 1 33 GLU HB3 . . 3.380 2.496 2.398 2.627 . 0 0 "[ . 1 . 2]" 1
10 1 32 LYS HB3 1 33 GLU H . . 4.470 4.390 4.271 4.459 . 0 0 "[ . 1 . 2]" 1
11 1 32 LYS QD 1 33 GLU H . . 5.220 5.117 4.940 5.222 0.002 3 0 "[ . 1 . 2]" 1
12 1 32 LYS HB2 1 33 GLU H . . 4.470 4.338 4.228 4.432 . 0 0 "[ . 1 . 2]" 1
13 1 32 LYS HG2 1 33 GLU H . . 3.940 3.319 3.058 3.492 . 0 0 "[ . 1 . 2]" 1
14 1 32 LYS HG3 1 33 GLU H . . 3.910 3.749 3.348 3.906 . 0 0 "[ . 1 . 2]" 1
15 1 87 LEU H 1 87 LEU MD1 . . 5.030 3.672 1.902 4.823 . 0 0 "[ . 1 . 2]" 1
16 1 86 ARG HA 1 87 LEU H . . 3.200 2.473 2.160 3.178 . 0 0 "[ . 1 . 2]" 1
17 1 86 ARG HB2 1 87 LEU H . . 4.520 3.583 2.117 4.441 . 0 0 "[ . 1 . 2]" 1
18 1 86 ARG HB3 1 87 LEU H . . 4.520 3.538 2.172 4.513 . 0 0 "[ . 1 . 2]" 1
19 1 87 LEU H 1 87 LEU HB2 . . 3.880 2.978 2.231 3.663 . 0 0 "[ . 1 . 2]" 1
20 1 31 ARG H 1 32 LYS H . . 4.560 4.368 4.199 4.492 . 0 0 "[ . 1 . 2]" 1
21 1 32 LYS H 1 33 GLU H . . 4.670 4.425 4.375 4.510 . 0 0 "[ . 1 . 2]" 1
22 1 31 ARG HB3 1 32 LYS H . . 3.810 3.205 2.934 3.496 . 0 0 "[ . 1 . 2]" 1
23 1 32 LYS H 1 32 LYS QD . . 4.500 4.352 4.271 4.479 . 0 0 "[ . 1 . 2]" 1
24 1 32 LYS H 1 32 LYS HG2 . . 4.760 4.406 4.352 4.505 . 0 0 "[ . 1 . 2]" 1
25 1 32 LYS H 1 32 LYS HG3 . . 4.680 4.515 4.386 4.570 . 0 0 "[ . 1 . 2]" 1
26 1 52 CYS HA 1 53 ARG H . . 3.430 2.196 2.140 2.409 . 0 0 "[ . 1 . 2]" 1
27 1 52 CYS HB2 1 53 ARG H . . 5.200 4.311 4.087 4.665 . 0 0 "[ . 1 . 2]" 1
28 1 52 CYS HB3 1 53 ARG H . . 5.480 4.088 3.636 4.480 . 0 0 "[ . 1 . 2]" 1
29 1 53 ARG H 1 53 ARG HG2 . . 4.520 2.863 1.971 4.389 . 0 0 "[ . 1 . 2]" 1
30 1 53 ARG H 1 53 ARG HG3 . . 4.520 3.604 1.927 4.347 . 0 0 "[ . 1 . 2]" 1
31 1 16 THR H 1 22 PHE H . . 4.870 4.262 3.450 4.805 . 0 0 "[ . 1 . 2]" 1
32 1 16 THR H 1 20 GLY H . . 4.600 3.882 3.118 4.582 . 0 0 "[ . 1 . 2]" 1
33 1 16 THR H 1 21 ARG HA . . 3.750 3.035 2.679 3.465 . 0 0 "[ . 1 . 2]" 1
34 1 15 ARG HA 1 16 THR H . . 2.770 2.198 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
35 1 15 ARG QG 1 16 THR H . . 4.190 3.650 2.484 4.190 0.000 11 0 "[ . 1 . 2]" 1
36 1 16 THR H 1 16 THR MG . . 3.280 2.261 1.913 2.503 . 0 0 "[ . 1 . 2]" 1
37 1 32 LYS H 1 42 TRP HZ3 . . 3.820 2.438 2.194 2.746 . 0 0 "[ . 1 . 2]" 1
38 1 31 ARG HA 1 32 LYS H . . 3.040 2.184 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
39 1 32 LYS H 1 32 LYS HB3 . . 3.370 2.466 2.381 2.688 . 0 0 "[ . 1 . 2]" 1
40 1 32 LYS H 1 32 LYS HB2 . . 3.370 2.587 2.406 2.681 . 0 0 "[ . 1 . 2]" 1
41 1 33 GLU H 1 34 LYS H . . 3.010 2.512 2.392 2.643 . 0 0 "[ . 1 . 2]" 1
42 1 34 LYS H 1 41 TYR H . . 3.530 3.159 2.923 3.342 . 0 0 "[ . 1 . 2]" 1
43 1 34 LYS H 1 42 TRP HA . . 4.620 4.532 4.338 4.619 . 0 0 "[ . 1 . 2]" 1
44 1 34 LYS H 1 41 TYR HB3 . . 3.950 3.532 3.153 3.933 . 0 0 "[ . 1 . 2]" 1
45 1 34 LYS H 1 41 TYR HB2 . . 3.300 2.220 1.882 2.564 . 0 0 "[ . 1 . 2]" 1
46 1 33 GLU HB3 1 34 LYS H . . 3.110 2.275 2.148 2.443 . 0 0 "[ . 1 . 2]" 1
47 1 34 LYS H 1 34 LYS HG2 . . 4.020 2.747 2.382 3.932 . 0 0 "[ . 1 . 2]" 1
48 1 34 LYS H 1 34 LYS HG3 . . 4.020 2.987 2.210 3.678 . 0 0 "[ . 1 . 2]" 1
49 1 32 LYS HG3 1 34 LYS H . . 4.400 4.157 3.779 4.383 . 0 0 "[ . 1 . 2]" 1
50 1 34 LYS H 1 41 TYR QD . . 4.630 4.236 3.999 4.384 . 0 0 "[ . 1 . 2]" 1
51 1 32 LYS HG2 1 34 LYS H . . 3.760 3.599 3.347 3.751 . 0 0 "[ . 1 . 2]" 1
52 1 34 LYS H 1 40 VAL MG1 . . 4.240 3.952 3.735 4.236 . 0 0 "[ . 1 . 2]" 1
53 1 32 LYS HA 1 34 LYS H . . 4.250 4.169 3.969 4.246 . 0 0 "[ . 1 . 2]" 1
54 1 14 LEU H 1 24 VAL H . . 4.790 4.205 3.969 4.415 . 0 0 "[ . 1 . 2]" 1
55 1 13 PHE QD 1 24 VAL H . . 4.490 4.211 3.840 4.472 . 0 0 "[ . 1 . 2]" 1
56 1 13 PHE HA 1 24 VAL H . . 3.900 2.328 2.129 2.780 . 0 0 "[ . 1 . 2]" 1
57 1 23 LEU HA 1 24 VAL H . . 2.790 2.149 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
58 1 12 GLU HB3 1 24 VAL H . . 4.150 3.870 3.543 4.008 . 0 0 "[ . 1 . 2]" 1
59 1 24 VAL H 1 24 VAL HB . . 3.220 2.544 2.466 2.664 . 0 0 "[ . 1 . 2]" 1
60 1 23 LEU HG 1 24 VAL H . . 3.360 3.231 2.656 3.359 . 0 0 "[ . 1 . 2]" 1
61 1 23 LEU MD1 1 24 VAL H . . 3.170 2.974 2.499 3.167 . 0 0 "[ . 1 . 2]" 1
62 1 23 LEU HB2 1 24 VAL H . . 4.250 4.176 3.927 4.256 0.006 6 0 "[ . 1 . 2]" 1
63 1 23 LEU MD2 1 24 VAL H . . 4.880 4.665 4.250 4.783 . 0 0 "[ . 1 . 2]" 1
64 1 59 GLN HE22 1 59 GLN QG . . 3.740 3.300 3.219 3.428 . 0 0 "[ . 1 . 2]" 1
65 1 54 SER HA 1 66 MET H . . 5.440 5.350 5.099 5.436 . 0 0 "[ . 1 . 2]" 1
66 1 65 VAL MG1 1 66 MET H . . 3.360 2.233 1.997 2.513 . 0 0 "[ . 1 . 2]" 1
67 1 65 VAL H 1 65 VAL MG2 . . 3.740 2.684 2.267 2.937 . 0 0 "[ . 1 . 2]" 1
68 1 63 ILE MG 1 65 VAL H . . 4.890 4.840 4.707 4.890 . 0 0 "[ . 1 . 2]" 1
69 1 64 MET HA 1 65 VAL H . . 2.870 2.241 2.172 2.296 . 0 0 "[ . 1 . 2]" 1
70 1 63 ILE HG12 1 65 VAL H . . 5.050 4.751 4.548 4.974 . 0 0 "[ . 1 . 2]" 1
71 1 58 THR HA 1 64 MET H . . 4.010 3.315 3.159 3.593 . 0 0 "[ . 1 . 2]" 1
72 1 57 ILE HA 1 64 MET H . . 5.390 4.555 4.416 4.642 . 0 0 "[ . 1 . 2]" 1
73 1 63 ILE HA 1 64 MET H . . 2.880 2.333 2.240 2.393 . 0 0 "[ . 1 . 2]" 1
74 1 64 MET H 1 64 MET HB3 . . 3.820 3.189 2.606 3.810 . 0 0 "[ . 1 . 2]" 1
75 1 57 ILE HB 1 64 MET H . . 4.280 4.160 3.726 4.279 . 0 0 "[ . 1 . 2]" 1
76 1 63 ILE HB 1 64 MET H . . 3.990 3.915 3.806 3.990 0.000 9 0 "[ . 1 . 2]" 1
77 1 63 ILE HG13 1 64 MET H . . 3.310 2.352 2.071 2.781 . 0 0 "[ . 1 . 2]" 1
78 1 58 THR MG 1 64 MET H . . 3.760 3.470 3.056 3.743 . 0 0 "[ . 1 . 2]" 1
79 1 56 ALA MB 1 64 MET H . . 4.080 3.280 2.935 3.680 . 0 0 "[ . 1 . 2]" 1
80 1 63 ILE MG 1 64 MET H . . 4.100 3.448 3.314 3.753 . 0 0 "[ . 1 . 2]" 1
81 1 63 ILE HG12 1 64 MET H . . 3.540 2.119 1.892 2.940 . 0 0 "[ . 1 . 2]" 1
82 1 63 ILE MD 1 64 MET H . . 4.240 3.640 3.499 3.805 . 0 0 "[ . 1 . 2]" 1
83 1 65 VAL HA 1 66 MET H . . 2.810 2.201 2.154 2.263 . 0 0 "[ . 1 . 2]" 1
84 1 66 MET H 1 66 MET HB3 . . 3.790 3.709 3.637 3.789 . 0 0 "[ . 1 . 2]" 1
85 1 66 MET H 1 66 MET HB2 . . 3.300 2.651 2.399 2.825 . 0 0 "[ . 1 . 2]" 1
86 1 56 ALA MB 1 66 MET H . . 4.120 3.506 3.316 3.793 . 0 0 "[ . 1 . 2]" 1
87 1 55 ARG H 1 66 MET H . . 4.310 3.929 3.477 4.267 . 0 0 "[ . 1 . 2]" 1
88 1 55 ARG H 1 67 ARG HA . . 5.230 4.857 4.136 5.210 . 0 0 "[ . 1 . 2]" 1
89 1 54 SER HA 1 55 ARG H . . 2.910 2.155 2.138 2.253 . 0 0 "[ . 1 . 2]" 1
90 1 54 SER HG 1 55 ARG H . . 4.000 3.271 2.303 3.933 . 0 0 "[ . 1 . 2]" 1
91 1 55 ARG H 1 55 ARG HB3 . . 3.950 3.606 3.037 3.791 . 0 0 "[ . 1 . 2]" 1
92 1 55 ARG H 1 67 ARG HB2 . . 4.400 2.753 1.890 3.712 . 0 0 "[ . 1 . 2]" 1
93 1 55 ARG H 1 55 ARG HB2 . . 3.410 2.457 2.293 2.737 . 0 0 "[ . 1 . 2]" 1
94 1 55 ARG H 1 65 VAL MG1 . . 4.650 4.332 3.715 4.615 . 0 0 "[ . 1 . 2]" 1
95 1 55 ARG H 1 56 ALA MB . . 5.190 4.899 4.615 5.064 . 0 0 "[ . 1 . 2]" 1
96 1 36 ALA H 1 39 LYS HB2 . . 4.660 3.270 2.957 3.603 . 0 0 "[ . 1 . 2]" 1
97 1 61 HIS H 1 62 ARG QB . . 5.170 3.732 3.538 4.070 . 0 0 "[ . 1 . 2]" 1
98 1 36 ALA H 1 40 VAL MG1 . . 4.950 4.789 4.551 4.950 0.000 6 0 "[ . 1 . 2]" 1
99 1 36 ALA H 1 41 TYR QD . . 4.210 3.351 3.048 4.164 . 0 0 "[ . 1 . 2]" 1
100 1 36 ALA H 1 41 TYR QE . . 4.160 3.451 3.169 3.857 . 0 0 "[ . 1 . 2]" 1
101 1 35 ALA HA 1 36 ALA H . . 2.670 2.154 2.142 2.198 . 0 0 "[ . 1 . 2]" 1
102 1 36 ALA H 1 40 VAL HA . . 3.600 3.302 3.067 3.526 . 0 0 "[ . 1 . 2]" 1
103 1 36 ALA H 1 36 ALA MB . . 2.880 2.290 2.142 2.460 . 0 0 "[ . 1 . 2]" 1
104 1 36 ALA H 1 40 VAL MG2 . . 5.150 4.297 4.009 4.581 . 0 0 "[ . 1 . 2]" 1
105 1 22 PHE QD 1 23 LEU H . . 4.100 3.075 2.736 3.930 . 0 0 "[ . 1 . 2]" 1
106 1 23 LEU H 1 30 TYR QD . . 4.740 4.131 3.891 4.305 . 0 0 "[ . 1 . 2]" 1
107 1 22 PHE HB3 1 23 LEU H . . 3.570 2.538 2.323 2.669 . 0 0 "[ . 1 . 2]" 1
108 1 23 LEU H 1 30 TYR HB2 . . 3.930 3.812 3.593 3.916 . 0 0 "[ . 1 . 2]" 1
109 1 22 PHE HB2 1 23 LEU H . . 4.250 3.907 3.736 3.998 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU HB2 1 23 LEU H . . 5.500 4.654 4.088 5.162 . 0 0 "[ . 1 . 2]" 1
111 1 21 ARG QG 1 23 LEU H . . 5.500 5.228 4.700 5.492 . 0 0 "[ . 1 . 2]" 1
112 1 23 LEU H 1 23 LEU HB3 . . 3.100 2.542 2.473 2.654 . 0 0 "[ . 1 . 2]" 1
113 1 23 LEU H 1 23 LEU HB2 . . 3.490 3.294 3.187 3.423 . 0 0 "[ . 1 . 2]" 1
114 1 23 LEU H 1 23 LEU MD2 . . 4.310 4.276 4.211 4.308 . 0 0 "[ . 1 . 2]" 1
115 1 22 PHE H 1 23 LEU H . . 4.540 4.503 4.407 4.540 0.000 12 0 "[ . 1 . 2]" 1
116 1 22 PHE HA 1 23 LEU H . . 2.920 2.392 2.343 2.483 . 0 0 "[ . 1 . 2]" 1
117 1 23 LEU H 1 31 ARG HA . . 4.450 4.054 3.860 4.206 . 0 0 "[ . 1 . 2]" 1
118 1 23 LEU H 1 29 LEU HA . . 4.930 3.880 3.692 4.121 . 0 0 "[ . 1 . 2]" 1
119 1 23 LEU H 1 30 TYR HA . . 5.500 4.704 4.528 4.851 . 0 0 "[ . 1 . 2]" 1
120 1 23 LEU H 1 23 LEU MD1 . . 4.630 4.498 4.390 4.593 . 0 0 "[ . 1 . 2]" 1
121 1 73 PRO HB2 1 75 LEU H . . 4.540 3.840 3.569 4.331 . 0 0 "[ . 1 . 2]" 1
122 1 75 LEU H 1 76 ALA HA . . 5.400 5.319 5.191 5.397 . 0 0 "[ . 1 . 2]" 1
123 1 74 ASP HB2 1 75 LEU H . . 4.770 4.656 4.634 4.668 . 0 0 "[ . 1 . 2]" 1
124 1 74 ASP HB3 1 75 LEU H . . 4.620 4.194 3.972 4.392 . 0 0 "[ . 1 . 2]" 1
125 1 75 LEU H 1 75 LEU HB2 . . 3.120 2.723 2.514 2.988 . 0 0 "[ . 1 . 2]" 1
126 1 75 LEU H 1 75 LEU HG . . 3.000 2.124 1.904 2.428 . 0 0 "[ . 1 . 2]" 1
127 1 75 LEU H 1 75 LEU MD1 . . 3.910 3.693 3.399 3.910 . 14 0 "[ . 1 . 2]" 1
128 1 75 LEU H 1 75 LEU MD2 . . 3.830 2.427 1.868 3.196 . 0 0 "[ . 1 . 2]" 1
129 1 43 MET H 1 44 CYS H . . 4.630 4.282 4.179 4.499 . 0 0 "[ . 1 . 2]" 1
130 1 44 CYS H 1 45 ARG H . . 4.600 4.406 4.342 4.483 . 0 0 "[ . 1 . 2]" 1
131 1 30 TYR QD 1 44 CYS H . . 3.730 2.850 2.544 3.287 . 0 0 "[ . 1 . 2]" 1
132 1 43 MET HA 1 44 CYS H . . 2.970 2.180 2.149 2.236 . 0 0 "[ . 1 . 2]" 1
133 1 30 TYR HB3 1 44 CYS H . . 4.860 3.991 3.756 4.390 . 0 0 "[ . 1 . 2]" 1
134 1 44 CYS H 1 55 ARG QD . . 5.490 4.852 3.676 5.491 0.001 1 0 "[ . 1 . 2]" 1
135 1 44 CYS H 1 44 CYS QB . . 2.870 2.112 2.087 2.129 . 0 0 "[ . 1 . 2]" 1
136 1 44 CYS H 1 69 HIS HE1 . . 4.680 4.389 4.182 4.568 . 0 0 "[ . 1 . 2]" 1
137 1 43 MET HB2 1 44 CYS H . . 3.360 3.132 2.885 3.320 . 0 0 "[ . 1 . 2]" 1
138 1 41 TYR H 1 41 TYR QE . . 4.640 4.352 4.273 4.463 . 0 0 "[ . 1 . 2]" 1
139 1 35 ALA HA 1 41 TYR H . . 3.560 2.913 2.548 3.017 . 0 0 "[ . 1 . 2]" 1
140 1 40 VAL HA 1 41 TYR H . . 2.730 2.143 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
141 1 41 TYR H 1 41 TYR HB3 . . 3.820 3.589 3.572 3.615 . 0 0 "[ . 1 . 2]" 1
142 1 41 TYR H 1 41 TYR HB2 . . 3.190 2.360 2.323 2.490 . 0 0 "[ . 1 . 2]" 1
143 1 33 GLU HB3 1 41 TYR H . . 4.900 4.640 4.272 4.877 . 0 0 "[ . 1 . 2]" 1
144 1 35 ALA MB 1 41 TYR H . . 4.230 4.118 3.738 4.229 . 0 0 "[ . 1 . 2]" 1
145 1 40 VAL MG1 1 41 TYR H . . 3.160 2.859 2.441 3.053 . 0 0 "[ . 1 . 2]" 1
146 1 40 VAL HB 1 41 TYR H . . 4.340 4.149 4.048 4.220 . 0 0 "[ . 1 . 2]" 1
147 1 32 LYS HG3 1 41 TYR H . . 5.100 4.556 3.907 5.065 . 0 0 "[ . 1 . 2]" 1
148 1 24 VAL HB 1 25 HIS H . . 4.450 4.288 4.104 4.359 . 0 0 "[ . 1 . 2]" 1
149 1 24 VAL H 1 25 HIS H . . 4.510 4.377 4.285 4.456 . 0 0 "[ . 1 . 2]" 1
150 1 25 HIS H 1 27 SER H . . 4.370 4.089 3.688 4.364 . 0 0 "[ . 1 . 2]" 1
151 1 25 HIS H 1 29 LEU HA . . 4.090 3.700 3.608 3.862 . 0 0 "[ . 1 . 2]" 1
152 1 24 VAL HA 1 25 HIS H . . 2.670 2.144 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
153 1 25 HIS H 1 27 SER HA . . 5.150 4.913 4.637 5.070 . 0 0 "[ . 1 . 2]" 1
154 1 25 HIS H 1 25 HIS HB3 . . 3.400 2.869 2.797 2.989 . 0 0 "[ . 1 . 2]" 1
155 1 25 HIS H 1 25 HIS HB2 . . 3.680 3.457 3.349 3.583 . 0 0 "[ . 1 . 2]" 1
156 1 24 VAL MG1 1 25 HIS H . . 3.110 2.805 2.645 3.099 . 0 0 "[ . 1 . 2]" 1
157 1 74 ASP HB2 1 77 GLY H . . 4.700 3.949 3.803 4.166 . 0 0 "[ . 1 . 2]" 1
158 1 77 GLY H 1 78 LEU H . . 3.220 2.549 2.352 2.747 . 0 0 "[ . 1 . 2]" 1
159 1 77 GLY H 1 77 GLY HA3 . . 2.860 2.309 2.293 2.341 . 0 0 "[ . 1 . 2]" 1
160 1 74 ASP HB3 1 77 GLY H . . 5.110 2.343 2.127 2.881 . 0 0 "[ . 1 . 2]" 1
161 1 77 GLY H 1 78 LEU HB3 . . 4.860 4.550 4.376 4.830 . 0 0 "[ . 1 . 2]" 1
162 1 76 ALA MB 1 77 GLY H . . 3.180 2.505 2.178 2.891 . 0 0 "[ . 1 . 2]" 1
163 1 8 LEU H 1 9 ARG H . . 4.650 4.208 3.793 4.613 . 0 0 "[ . 1 . 2]" 1
164 1 8 LEU HA 1 9 ARG H . . 2.900 2.240 2.155 2.551 . 0 0 "[ . 1 . 2]" 1
165 1 9 ARG H 1 9 ARG HB2 . . 3.840 2.389 2.119 3.271 . 0 0 "[ . 1 . 2]" 1
166 1 8 LEU HG 1 9 ARG H . . 5.320 3.837 2.600 4.510 . 0 0 "[ . 1 . 2]" 1
167 1 15 ARG H 1 16 THR H . . 4.580 4.400 4.185 4.580 . 7 0 "[ . 1 . 2]" 1
168 1 14 LEU HA 1 15 ARG H . . 2.940 2.300 2.140 2.521 . 0 0 "[ . 1 . 2]" 1
169 1 15 ARG H 1 15 ARG QD . . 4.890 4.012 2.230 4.866 . 0 0 "[ . 1 . 2]" 1
170 1 15 ARG H 1 85 GLU HG2 . . 5.500 4.134 2.473 5.437 . 0 0 "[ . 1 . 2]" 1
171 1 15 ARG H 1 85 GLU HG3 . . 5.500 4.005 2.744 5.115 . 0 0 "[ . 1 . 2]" 1
172 1 15 ARG H 1 15 ARG HB3 . . 3.930 3.362 2.510 3.776 . 0 0 "[ . 1 . 2]" 1
173 1 15 ARG H 1 15 ARG QG . . 3.850 3.167 2.109 3.848 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU HB3 1 15 ARG H . . 3.710 2.840 2.191 3.556 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLU H 1 12 GLU HB3 . . 3.340 2.610 2.441 3.321 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLU H 1 12 GLU HB2 . . 3.320 2.815 2.223 3.048 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU HB3 1 12 GLU H . . 4.000 3.765 3.378 3.905 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLU H 1 12 GLU HG2 . . 4.980 4.578 4.337 4.786 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU MD1 1 12 GLU H . . 3.320 2.067 1.880 2.515 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLU H 1 23 LEU MD1 . . 4.080 3.945 3.510 4.062 . 0 0 "[ . 1 . 2]" 1
181 1 39 LYS H 1 40 VAL H . . 4.580 4.493 4.373 4.576 . 0 0 "[ . 1 . 2]" 1
182 1 40 VAL H 1 59 GLN HA . . 4.240 4.032 3.738 4.229 . 0 0 "[ . 1 . 2]" 1
183 1 40 VAL H 1 41 TYR H . . 4.400 4.152 4.057 4.275 . 0 0 "[ . 1 . 2]" 1
184 1 40 VAL H 1 42 TRP HD1 . . 4.960 4.877 4.689 4.960 0.000 6 0 "[ . 1 . 2]" 1
185 1 40 VAL H 1 58 THR HG1 . . 4.390 3.484 2.331 4.325 . 0 0 "[ . 1 . 2]" 1
186 1 40 VAL H 1 57 ILE HA . . 5.120 4.205 3.890 4.588 . 0 0 "[ . 1 . 2]" 1
187 1 39 LYS HA 1 40 VAL H . . 2.680 2.348 2.229 2.482 . 0 0 "[ . 1 . 2]" 1
188 1 40 VAL H 1 40 VAL HB . . 3.180 2.923 2.827 3.009 . 0 0 "[ . 1 . 2]" 1
189 1 39 LYS HB2 1 40 VAL H . . 4.020 3.857 3.353 4.012 . 0 0 "[ . 1 . 2]" 1
190 1 39 LYS HB3 1 40 VAL H . . 3.500 2.596 2.308 2.915 . 0 0 "[ . 1 . 2]" 1
191 1 39 LYS HG2 1 40 VAL H . . 4.830 3.818 3.526 4.237 . 0 0 "[ . 1 . 2]" 1
192 1 40 VAL H 1 40 VAL MG2 . . 3.340 2.607 2.388 2.894 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE HA 1 14 LEU H . . 2.980 2.486 2.402 2.508 . 0 0 "[ . 1 . 2]" 1
194 1 14 LEU H 1 21 ARG HA . . 5.060 4.878 4.353 5.059 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU H 1 23 LEU HA . . 4.430 3.452 2.977 3.873 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU H 1 22 PHE HB3 . . 5.020 4.059 3.408 4.771 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE HB3 1 14 LEU H . . 3.720 2.303 2.219 2.441 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE HB2 1 14 LEU H . . 3.980 3.346 3.224 3.607 . 0 0 "[ . 1 . 2]" 1
199 1 14 LEU H 1 14 LEU HB2 . . 3.340 2.687 2.594 2.762 . 0 0 "[ . 1 . 2]" 1
200 1 34 LYS HB3 1 35 ALA H . . 4.010 3.509 3.298 3.680 . 0 0 "[ . 1 . 2]" 1
201 1 76 ALA H 1 77 GLY HA3 . . 4.970 4.865 4.549 4.969 . 0 0 "[ . 1 . 2]" 1
202 1 75 LEU HB2 1 76 ALA H . . 3.760 3.050 2.818 3.244 . 0 0 "[ . 1 . 2]" 1
203 1 76 ALA H 1 76 ALA MB . . 3.040 2.137 2.039 2.286 . 0 0 "[ . 1 . 2]" 1
204 1 77 GLY HA3 1 78 LEU H . . 3.330 2.886 2.745 2.960 . 0 0 "[ . 1 . 2]" 1
205 1 74 ASP HB2 1 78 LEU H . . 4.820 4.658 4.430 4.815 . 0 0 "[ . 1 . 2]" 1
206 1 78 LEU H 1 79 GLU HB2 . . 4.580 4.508 4.444 4.563 . 0 0 "[ . 1 . 2]" 1
207 1 78 LEU H 1 78 LEU HB3 . . 2.930 2.266 2.184 2.385 . 0 0 "[ . 1 . 2]" 1
208 1 78 LEU H 1 78 LEU HB2 . . 2.940 2.809 2.641 2.936 . 0 0 "[ . 1 . 2]" 1
209 1 29 LEU MD1 1 78 LEU H . . 4.990 4.779 4.589 4.981 . 0 0 "[ . 1 . 2]" 1
210 1 34 LYS HA 1 35 ALA H . . 3.150 2.565 2.415 2.640 . 0 0 "[ . 1 . 2]" 1
211 1 34 LYS HB2 1 35 ALA H . . 4.010 2.088 1.931 2.393 . 0 0 "[ . 1 . 2]" 1
212 1 35 ALA H 1 35 ALA MB . . 3.410 2.548 2.399 2.707 . 0 0 "[ . 1 . 2]" 1
213 1 42 TRP H 1 56 ALA H . . 3.580 2.725 2.464 3.323 . 0 0 "[ . 1 . 2]" 1
214 1 41 TYR H 1 42 TRP H . . 4.660 4.589 4.538 4.616 . 0 0 "[ . 1 . 2]" 1
215 1 42 TRP H 1 57 ILE HA . . 3.970 3.444 2.995 3.620 . 0 0 "[ . 1 . 2]" 1
216 1 41 TYR HA 1 42 TRP H . . 2.770 2.232 2.172 2.283 . 0 0 "[ . 1 . 2]" 1
217 1 42 TRP H 1 42 TRP HB3 . . 3.900 3.843 3.786 3.897 . 0 0 "[ . 1 . 2]" 1
218 1 41 TYR HB3 1 42 TRP H . . 3.800 2.913 2.746 3.147 . 0 0 "[ . 1 . 2]" 1
219 1 41 TYR HB2 1 42 TRP H . . 4.430 4.050 3.940 4.191 . 0 0 "[ . 1 . 2]" 1
220 1 42 TRP H 1 42 TRP HB2 . . 3.360 2.753 2.660 2.847 . 0 0 "[ . 1 . 2]" 1
221 1 42 TRP H 1 55 ARG HB3 . . 4.920 4.038 3.558 4.723 . 0 0 "[ . 1 . 2]" 1
222 1 33 GLU HB2 1 42 TRP H . . 5.500 4.981 4.561 5.441 . 0 0 "[ . 1 . 2]" 1
223 1 42 TRP H 1 58 THR MG . . 4.910 4.821 4.609 4.910 . 0 0 "[ . 1 . 2]" 1
224 1 42 TRP H 1 56 ALA MB . . 4.140 3.960 3.699 4.139 . 0 0 "[ . 1 . 2]" 1
225 1 55 ARG H 1 56 ALA H . . 4.810 4.487 4.406 4.546 . 0 0 "[ . 1 . 2]" 1
226 1 30 TYR QD 1 56 ALA H . . 4.310 3.896 3.380 4.257 . 0 0 "[ . 1 . 2]" 1
227 1 55 ARG HA 1 56 ALA H . . 2.860 2.377 2.196 2.595 . 0 0 "[ . 1 . 2]" 1
228 1 56 ALA H 1 65 VAL HA . . 5.130 5.019 4.886 5.128 . 0 0 "[ . 1 . 2]" 1
229 1 42 TRP HB3 1 56 ALA H . . 4.490 4.371 4.040 4.487 . 0 0 "[ . 1 . 2]" 1
230 1 42 TRP HB2 1 56 ALA H . . 3.640 3.124 2.707 3.276 . 0 0 "[ . 1 . 2]" 1
231 1 55 ARG HB3 1 56 ALA H . . 3.430 2.584 2.054 3.052 . 0 0 "[ . 1 . 2]" 1
232 1 10 PRO HB3 1 11 LEU H . . 3.390 3.231 3.147 3.387 . 0 0 "[ . 1 . 2]" 1
233 1 11 LEU H 1 11 LEU HB3 . . 3.480 2.922 2.686 3.099 . 0 0 "[ . 1 . 2]" 1
234 1 73 PRO HA 1 74 ASP H . . 2.940 2.276 2.183 2.386 . 0 0 "[ . 1 . 2]" 1
235 1 74 ASP H 1 74 ASP HB2 . . 3.210 2.605 2.490 2.753 . 0 0 "[ . 1 . 2]" 1
236 1 74 ASP H 1 74 ASP HB3 . . 3.630 3.348 2.816 3.555 . 0 0 "[ . 1 . 2]" 1
237 1 73 PRO HB2 1 74 ASP H . . 3.920 2.995 2.671 3.347 . 0 0 "[ . 1 . 2]" 1
238 1 73 PRO HB3 1 74 ASP H . . 3.990 3.649 3.471 3.860 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG HA 1 22 PHE H . . 3.320 2.231 2.140 2.413 . 0 0 "[ . 1 . 2]" 1
240 1 21 ARG QG 1 22 PHE H . . 4.260 2.448 1.905 3.710 . 0 0 "[ . 1 . 2]" 1
241 1 15 ARG HA 1 22 PHE H . . 4.710 3.145 2.569 3.557 . 0 0 "[ . 1 . 2]" 1
242 1 47 GLN H 1 47 GLN HG2 . . 4.980 3.198 1.952 4.591 . 0 0 "[ . 1 . 2]" 1
243 1 47 GLN H 1 52 CYS HB3 . . 5.490 4.388 3.763 5.270 . 0 0 "[ . 1 . 2]" 1
244 1 7 GLY QA 1 8 LEU H . . 3.530 2.484 2.109 2.919 . 0 0 "[ . 1 . 2]" 1
245 1 8 LEU H 1 8 LEU MD1 . . 5.500 4.195 3.875 4.766 . 0 0 "[ . 1 . 2]" 1
246 1 8 LEU H 1 8 LEU MD2 . . 5.500 3.687 1.848 4.876 . 0 0 "[ . 1 . 2]" 1
247 1 13 PHE H 1 14 LEU H . . 4.470 4.426 4.417 4.469 . 0 0 "[ . 1 . 2]" 1
248 1 13 PHE H 1 13 PHE QD . . 3.810 2.800 2.237 3.116 . 0 0 "[ . 1 . 2]" 1
249 1 12 GLU HA 1 13 PHE H . . 2.660 2.249 2.176 2.365 . 0 0 "[ . 1 . 2]" 1
250 1 13 PHE H 1 13 PHE HB2 . . 3.310 2.835 2.669 2.940 . 0 0 "[ . 1 . 2]" 1
251 1 12 GLU HG2 1 13 PHE H . . 3.820 3.170 2.052 3.826 0.006 8 0 "[ . 1 . 2]" 1
252 1 12 GLU HG3 1 13 PHE H . . 3.820 2.552 1.999 3.583 . 0 0 "[ . 1 . 2]" 1
253 1 13 PHE H 1 24 VAL HB . . 5.090 4.270 4.070 4.740 . 0 0 "[ . 1 . 2]" 1
254 1 13 PHE H 1 14 LEU HG . . 4.640 4.585 4.406 4.640 . 0 0 "[ . 1 . 2]" 1
255 1 13 PHE H 1 24 VAL MG2 . . 4.530 3.971 3.730 4.428 . 0 0 "[ . 1 . 2]" 1
256 1 62 ARG H 1 63 ILE H . . 4.700 4.456 4.411 4.503 . 0 0 "[ . 1 . 2]" 1
257 1 62 ARG HA 1 63 ILE H . . 2.720 2.602 2.479 2.653 . 0 0 "[ . 1 . 2]" 1
258 1 62 ARG QB 1 63 ILE H . . 3.530 2.079 1.927 2.385 . 0 0 "[ . 1 . 2]" 1
259 1 62 ARG HG3 1 63 ILE H . . 4.740 4.257 2.382 4.740 . 0 0 "[ . 1 . 2]" 1
260 1 63 ILE H 1 63 ILE HB . . 3.640 3.291 3.210 3.361 . 0 0 "[ . 1 . 2]" 1
261 1 63 ILE H 1 63 ILE HG13 . . 4.810 4.727 4.605 4.803 . 0 0 "[ . 1 . 2]" 1
262 1 11 LEU MD2 1 63 ILE H . . 4.800 4.443 4.095 4.798 . 0 0 "[ . 1 . 2]" 1
263 1 63 ILE H 1 63 ILE MG . . 3.070 2.353 2.235 2.572 . 0 0 "[ . 1 . 2]" 1
264 1 59 GLN H 1 63 ILE HB . . 5.300 5.046 4.800 5.270 . 0 0 "[ . 1 . 2]" 1
265 1 62 ARG QD 1 63 ILE H . . 4.760 3.836 2.769 4.743 . 0 0 "[ . 1 . 2]" 1
266 1 11 LEU MD1 1 63 ILE H . . 4.720 4.363 3.908 4.670 . 0 0 "[ . 1 . 2]" 1
267 1 63 ILE H 1 63 ILE MD . . 4.920 4.853 4.781 4.884 . 0 0 "[ . 1 . 2]" 1
268 1 58 THR H 1 59 GLN H . . 4.650 4.504 4.310 4.554 . 0 0 "[ . 1 . 2]" 1
269 1 59 GLN H 1 63 ILE HA . . 4.190 3.348 3.155 3.527 . 0 0 "[ . 1 . 2]" 1
270 1 11 LEU MD2 1 59 GLN H . . 4.510 4.321 4.003 4.496 . 0 0 "[ . 1 . 2]" 1
271 1 40 VAL H 1 59 GLN H . . 5.500 5.161 4.937 5.383 . 0 0 "[ . 1 . 2]" 1
272 1 59 GLN H 1 61 HIS H . . 5.500 4.610 4.396 4.813 . 0 0 "[ . 1 . 2]" 1
273 1 58 THR HG1 1 59 GLN H . . 4.470 3.957 3.604 4.203 . 0 0 "[ . 1 . 2]" 1
274 1 58 THR HA 1 59 GLN H . . 2.790 2.237 2.155 2.305 . 0 0 "[ . 1 . 2]" 1
275 1 58 THR HB 1 59 GLN H . . 3.270 2.880 2.651 3.235 . 0 0 "[ . 1 . 2]" 1
276 1 59 GLN H 1 59 GLN QG . . 4.420 3.878 2.194 4.300 . 0 0 "[ . 1 . 2]" 1
277 1 59 GLN H 1 62 ARG QB . . 3.810 3.572 2.926 3.812 0.002 4 0 "[ . 1 . 2]" 1
278 1 42 TRP HD1 1 57 ILE H . . 4.950 4.683 4.441 4.841 . 0 0 "[ . 1 . 2]" 1
279 1 57 ILE H 1 63 ILE HA . . 4.900 4.833 4.613 4.897 . 0 0 "[ . 1 . 2]" 1
280 1 57 ILE H 1 63 ILE HG13 . . 4.440 4.113 3.740 4.417 . 0 0 "[ . 1 . 2]" 1
281 1 57 ILE H 1 63 ILE HG12 . . 4.950 4.046 3.675 4.712 . 0 0 "[ . 1 . 2]" 1
282 1 57 ILE H 1 58 THR H . . 4.600 4.314 4.165 4.500 . 0 0 "[ . 1 . 2]" 1
283 1 56 ALA HA 1 57 ILE H . . 2.810 2.359 2.270 2.446 . 0 0 "[ . 1 . 2]" 1
284 1 57 ILE H 1 65 VAL HA . . 4.040 3.719 3.515 3.959 . 0 0 "[ . 1 . 2]" 1
285 1 57 ILE H 1 57 ILE HB . . 3.300 2.606 2.455 2.741 . 0 0 "[ . 1 . 2]" 1
286 1 56 ALA MB 1 57 ILE H . . 3.180 2.581 2.406 2.768 . 0 0 "[ . 1 . 2]" 1
287 1 47 GLN HA 1 52 CYS H . . 3.790 2.208 1.903 3.343 . 0 0 "[ . 1 . 2]" 1
288 1 52 CYS H 1 52 CYS HB3 . . 3.990 2.654 2.497 2.846 . 0 0 "[ . 1 . 2]" 1
289 1 50 LEU HB3 1 52 CYS H . . 5.110 4.299 3.112 4.983 . 0 0 "[ . 1 . 2]" 1
290 1 51 GLY H 1 52 CYS H . . 4.210 2.969 2.492 3.192 . 0 0 "[ . 1 . 2]" 1
291 1 42 TRP H 1 43 MET H . . 5.140 4.409 4.144 4.480 . 0 0 "[ . 1 . 2]" 1
292 1 43 MET H 1 56 ALA H . . 5.070 4.728 4.517 4.894 . 0 0 "[ . 1 . 2]" 1
293 1 30 TYR QD 1 43 MET H . . 4.440 3.915 3.479 4.427 . 0 0 "[ . 1 . 2]" 1
294 1 42 TRP HA 1 43 MET H . . 2.840 2.348 2.144 2.456 . 0 0 "[ . 1 . 2]" 1
295 1 42 TRP HB3 1 43 MET H . . 3.510 2.622 2.333 3.421 . 0 0 "[ . 1 . 2]" 1
296 1 30 TYR HB2 1 43 MET H . . 5.140 3.981 3.577 4.854 . 0 0 "[ . 1 . 2]" 1
297 1 43 MET H 1 43 MET HG2 . . 3.250 2.360 1.895 2.720 . 0 0 "[ . 1 . 2]" 1
298 1 43 MET H 1 43 MET HB3 . . 3.420 3.320 2.915 3.420 0.000 9 0 "[ . 1 . 2]" 1
299 1 33 GLU HB2 1 43 MET H . . 4.700 3.999 2.850 4.599 . 0 0 "[ . 1 . 2]" 1
300 1 79 GLU QG 1 80 ALA H . . 4.470 4.387 4.298 4.467 . 0 0 "[ . 1 . 2]" 1
301 1 80 ALA H 1 81 LEU MD1 . . 5.330 5.118 4.851 5.330 0.000 18 0 "[ . 1 . 2]" 1
302 1 31 ARG H 1 45 ARG H . . 4.240 3.622 3.411 3.814 . 0 0 "[ . 1 . 2]" 1
303 1 30 TYR HA 1 31 ARG H . . 2.910 2.434 2.360 2.535 . 0 0 "[ . 1 . 2]" 1
304 1 30 TYR HB3 1 31 ARG H . . 3.670 2.426 2.237 2.580 . 0 0 "[ . 1 . 2]" 1
305 1 30 TYR HB2 1 31 ARG H . . 3.900 3.389 3.189 3.553 . 0 0 "[ . 1 . 2]" 1
306 1 31 ARG H 1 31 ARG HB2 . . 3.390 2.921 2.716 3.017 . 0 0 "[ . 1 . 2]" 1
307 1 31 ARG H 1 31 ARG HG2 . . 4.180 3.378 2.952 3.906 . 0 0 "[ . 1 . 2]" 1
308 1 31 ARG H 1 45 ARG HB3 . . 4.710 4.281 3.946 4.416 . 0 0 "[ . 1 . 2]" 1
309 1 79 GLU H 1 80 ALA H . . 3.080 2.603 2.448 2.764 . 0 0 "[ . 1 . 2]" 1
310 1 77 GLY HA2 1 80 ALA H . . 3.860 3.580 3.422 3.816 . 0 0 "[ . 1 . 2]" 1
311 1 79 GLU HB2 1 80 ALA H . . 3.160 3.002 2.764 3.143 . 0 0 "[ . 1 . 2]" 1
312 1 80 ALA H 1 80 ALA MB . . 2.720 2.106 2.026 2.257 . 0 0 "[ . 1 . 2]" 1
313 1 46 ASP H 1 47 GLN H . . 3.940 3.141 2.686 3.527 . 0 0 "[ . 1 . 2]" 1
314 1 44 CYS HA 1 46 ASP H . . 4.360 3.570 3.444 3.961 . 0 0 "[ . 1 . 2]" 1
315 1 44 CYS QB 1 46 ASP H . . 4.350 3.203 2.918 3.681 . 0 0 "[ . 1 . 2]" 1
316 1 46 ASP H 1 46 ASP HB3 . . 3.930 3.591 3.085 3.649 . 0 0 "[ . 1 . 2]" 1
317 1 46 ASP H 1 46 ASP HB2 . . 3.930 2.777 2.382 3.497 . 0 0 "[ . 1 . 2]" 1
318 1 21 ARG H 1 21 ARG QG . . 4.430 4.051 2.673 4.271 . 0 0 "[ . 1 . 2]" 1
319 1 83 GLN HA 1 86 ARG H . . 4.350 3.793 3.191 4.324 . 0 0 "[ . 1 . 2]" 1
320 1 86 ARG H 1 86 ARG QD . . 4.730 3.643 1.899 4.508 . 0 0 "[ . 1 . 2]" 1
321 1 85 GLU HG3 1 86 ARG H . . 5.360 4.294 2.207 5.230 . 0 0 "[ . 1 . 2]" 1
322 1 85 GLU HB2 1 86 ARG H . . 4.430 3.109 2.140 4.420 . 0 0 "[ . 1 . 2]" 1
323 1 86 ARG H 1 86 ARG HB2 . . 3.840 2.977 2.289 3.810 . 0 0 "[ . 1 . 2]" 1
324 1 86 ARG H 1 86 ARG HB3 . . 3.840 3.369 2.590 3.735 . 0 0 "[ . 1 . 2]" 1
325 1 86 ARG H 1 86 ARG HG2 . . 4.090 3.138 2.254 3.845 . 0 0 "[ . 1 . 2]" 1
326 1 86 ARG H 1 86 ARG HG3 . . 4.090 2.883 1.931 4.004 . 0 0 "[ . 1 . 2]" 1
327 1 60 GLY HA3 1 62 ARG H . . 4.420 3.706 3.573 3.872 . 0 0 "[ . 1 . 2]" 1
328 1 60 GLY HA2 1 62 ARG H . . 4.900 4.746 4.674 4.868 . 0 0 "[ . 1 . 2]" 1
329 1 61 HIS HB2 1 62 ARG H . . 4.280 4.160 3.829 4.271 . 0 0 "[ . 1 . 2]" 1
330 1 62 ARG H 1 62 ARG QB . . 2.810 2.429 2.239 2.656 . 0 0 "[ . 1 . 2]" 1
331 1 62 ARG H 1 62 ARG HG2 . . 4.090 3.428 2.590 4.099 0.009 15 0 "[ . 1 . 2]" 1
332 1 8 LEU MD1 1 62 ARG H . . 5.500 3.431 2.852 4.420 . 0 0 "[ . 1 . 2]" 1
333 1 11 LEU MD2 1 62 ARG H . . 5.110 4.421 4.061 4.837 . 0 0 "[ . 1 . 2]" 1
334 1 58 THR HA 1 62 ARG H . . 5.340 5.042 4.659 5.249 . 0 0 "[ . 1 . 2]" 1
335 1 61 HIS HB3 1 62 ARG H . . 4.670 3.701 3.386 4.161 . 0 0 "[ . 1 . 2]" 1
336 1 62 ARG H 1 62 ARG QD . . 4.660 4.309 1.896 4.663 0.003 19 0 "[ . 1 . 2]" 1
337 1 36 ALA H 1 39 LYS H . . 3.560 3.356 3.167 3.551 . 0 0 "[ . 1 . 2]" 1
338 1 36 ALA HA 1 39 LYS H . . 5.450 4.755 4.510 5.101 . 0 0 "[ . 1 . 2]" 1
339 1 82 ARG HA 1 85 GLU H . . 4.370 3.410 3.069 3.691 . 0 0 "[ . 1 . 2]" 1
340 1 37 GLY HA2 1 39 LYS H . . 5.040 4.574 4.052 5.037 . 0 0 "[ . 1 . 2]" 1
341 1 39 LYS H 1 39 LYS QE . . 4.990 4.200 2.977 4.980 . 0 0 "[ . 1 . 2]" 1
342 1 39 LYS H 1 39 LYS HB2 . . 3.010 2.517 2.308 2.874 . 0 0 "[ . 1 . 2]" 1
343 1 36 ALA MB 1 39 LYS H . . 3.890 3.300 2.596 3.854 . 0 0 "[ . 1 . 2]" 1
344 1 39 LYS H 1 39 LYS HG3 . . 4.300 3.201 2.739 3.781 . 0 0 "[ . 1 . 2]" 1
345 1 39 LYS H 1 39 LYS HG2 . . 4.300 4.209 3.864 4.303 0.003 16 0 "[ . 1 . 2]" 1
346 1 39 LYS H 1 40 VAL MG2 . . 4.920 4.209 3.854 4.511 . 0 0 "[ . 1 . 2]" 1
347 1 70 CYS H 1 71 HIS HD2 . . 3.710 3.444 3.235 3.709 . 0 0 "[ . 1 . 2]" 1
348 1 69 HIS HA 1 70 CYS H . . 3.010 2.192 2.153 2.245 . 0 0 "[ . 1 . 2]" 1
349 1 52 CYS HA 1 70 CYS H . . 4.280 3.829 3.453 4.235 . 0 0 "[ . 1 . 2]" 1
350 1 70 CYS H 1 70 CYS HB2 . . 4.040 2.594 2.395 3.616 . 0 0 "[ . 1 . 2]" 1
351 1 70 CYS H 1 70 CYS HB3 . . 4.040 2.787 2.484 3.657 . 0 0 "[ . 1 . 2]" 1
352 1 52 CYS HB2 1 70 CYS H . . 4.360 3.855 2.263 4.342 . 0 0 "[ . 1 . 2]" 1
353 1 69 HIS HB2 1 70 CYS H . . 4.360 4.041 3.870 4.205 . 0 0 "[ . 1 . 2]" 1
354 1 69 HIS HB3 1 70 CYS H . . 3.670 3.079 2.870 3.294 . 0 0 "[ . 1 . 2]" 1
355 1 82 ARG H 1 82 ARG QD . . 4.110 3.474 1.997 4.065 . 0 0 "[ . 1 . 2]" 1
356 1 82 ARG H 1 82 ARG HG3 . . 4.280 2.490 1.899 3.457 . 0 0 "[ . 1 . 2]" 1
357 1 81 LEU HB3 1 82 ARG H . . 3.670 3.391 2.992 3.670 0.000 1 0 "[ . 1 . 2]" 1
358 1 81 LEU MD1 1 82 ARG H . . 5.500 4.523 4.235 4.871 . 0 0 "[ . 1 . 2]" 1
359 1 50 LEU MD1 1 72 GLN H . . 4.990 4.533 4.120 4.788 . 0 0 "[ . 1 . 2]" 1
360 1 84 ARG H 1 85 GLU H . . 3.400 2.491 2.299 2.672 . 0 0 "[ . 1 . 2]" 1
361 1 85 GLU H 1 85 GLU HB2 . . 3.830 2.607 2.106 3.563 . 0 0 "[ . 1 . 2]" 1
362 1 71 HIS HA 1 72 GLN H . . 3.440 2.401 2.222 2.580 . 0 0 "[ . 1 . 2]" 1
363 1 72 GLN H 1 72 GLN HB3 . . 4.070 3.325 2.433 3.725 . 0 0 "[ . 1 . 2]" 1
364 1 72 GLN H 1 72 GLN HB2 . . 4.070 2.900 2.218 3.751 . 0 0 "[ . 1 . 2]" 1
365 1 79 GLU H 1 79 GLU QG . . 3.470 2.703 2.463 2.801 . 0 0 "[ . 1 . 2]" 1
366 1 79 GLU H 1 79 GLU HB2 . . 2.830 2.244 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
367 1 78 LEU HB3 1 79 GLU H . . 3.270 2.667 2.432 2.828 . 0 0 "[ . 1 . 2]" 1
368 1 84 ARG H 1 84 ARG QD . . 4.640 3.935 3.209 4.331 . 0 0 "[ . 1 . 2]" 1
369 1 81 LEU H 1 81 LEU HB2 . . 2.750 2.240 2.158 2.405 . 0 0 "[ . 1 . 2]" 1
370 1 78 LEU HA 1 81 LEU H . . 3.750 3.606 3.347 3.737 . 0 0 "[ . 1 . 2]" 1
371 1 77 GLY HA2 1 81 LEU H . . 4.970 4.752 4.115 4.967 . 0 0 "[ . 1 . 2]" 1
372 1 81 LEU H 1 81 LEU HG . . 3.610 2.912 2.409 3.348 . 0 0 "[ . 1 . 2]" 1
373 1 80 ALA MB 1 81 LEU H . . 3.000 2.654 2.159 2.997 . 0 0 "[ . 1 . 2]" 1
374 1 81 LEU H 1 81 LEU MD1 . . 3.610 3.465 3.216 3.607 . 0 0 "[ . 1 . 2]" 1
375 1 42 TRP HE1 1 57 ILE MG . . 5.500 5.224 4.723 5.493 . 0 0 "[ . 1 . 2]" 1
376 1 24 VAL HA 1 30 TYR H . . 4.220 4.170 4.078 4.218 . 0 0 "[ . 1 . 2]" 1
377 1 29 LEU HB2 1 30 TYR H . . 4.450 4.223 4.039 4.307 . 0 0 "[ . 1 . 2]" 1
378 1 30 TYR H 1 31 ARG H . . 4.590 4.457 4.405 4.475 . 0 0 "[ . 1 . 2]" 1
379 1 22 PHE QD 1 30 TYR H . . 5.280 3.985 3.637 4.770 . 0 0 "[ . 1 . 2]" 1
380 1 29 LEU HA 1 30 TYR H . . 2.800 2.178 2.157 2.256 . 0 0 "[ . 1 . 2]" 1
381 1 22 PHE HB3 1 30 TYR H . . 4.270 4.080 3.755 4.261 . 0 0 "[ . 1 . 2]" 1
382 1 30 TYR H 1 30 TYR HB2 . . 3.530 2.799 2.756 2.926 . 0 0 "[ . 1 . 2]" 1
383 1 29 LEU HB3 1 30 TYR H . . 3.910 3.138 2.822 3.242 . 0 0 "[ . 1 . 2]" 1
384 1 29 LEU MD2 1 30 TYR H . . 3.620 3.185 2.910 3.482 . 0 0 "[ . 1 . 2]" 1
385 1 68 SER HA 1 69 HIS H . . 2.970 2.561 2.307 2.646 . 0 0 "[ . 1 . 2]" 1
386 1 54 SER HG 1 69 HIS H . . 5.260 4.781 3.478 5.258 . 0 0 "[ . 1 . 2]" 1
387 1 69 HIS H 1 69 HIS HB2 . . 3.300 2.589 2.532 2.649 . 0 0 "[ . 1 . 2]" 1
388 1 69 HIS H 1 69 HIS HB3 . . 3.930 3.729 3.659 3.765 . 0 0 "[ . 1 . 2]" 1
389 1 77 GLY HA2 1 79 GLU H . . 4.910 4.548 4.335 4.861 . 0 0 "[ . 1 . 2]" 1
390 1 78 LEU MD2 1 79 GLU H . . 3.960 3.826 3.493 3.959 . 0 0 "[ . 1 . 2]" 1
391 1 83 GLN HB3 1 84 ARG H . . 3.700 3.414 2.710 3.694 . 0 0 "[ . 1 . 2]" 1
392 1 42 TRP H 1 42 TRP HE1 . . 5.470 5.354 5.199 5.466 . 0 0 "[ . 1 . 2]" 1
393 1 40 VAL H 1 42 TRP HE1 . . 4.510 4.359 4.064 4.504 . 0 0 "[ . 1 . 2]" 1
394 1 42 TRP HE1 1 58 THR HG1 . . 3.440 2.725 2.460 3.318 . 0 0 "[ . 1 . 2]" 1
395 1 42 TRP HE1 1 57 ILE HA . . 5.170 4.700 4.208 4.917 . 0 0 "[ . 1 . 2]" 1
396 1 42 TRP HE1 1 58 THR HB . . 4.140 3.746 3.420 3.983 . 0 0 "[ . 1 . 2]" 1
397 1 40 VAL HB 1 42 TRP HE1 . . 3.100 1.966 1.904 2.078 . 0 0 "[ . 1 . 2]" 1
398 1 42 TRP HE1 1 58 THR MG . . 3.110 2.224 1.938 2.687 . 0 0 "[ . 1 . 2]" 1
399 1 40 VAL MG1 1 42 TRP HE1 . . 3.630 2.631 2.150 2.930 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU MD2 1 42 TRP HE1 . . 4.230 3.658 3.406 3.940 . 0 0 "[ . 1 . 2]" 1
401 1 22 PHE HA 1 30 TYR H . . 4.780 4.459 4.192 4.657 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU H 1 30 TYR H . . 3.850 2.465 2.266 2.637 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU HB2 1 30 TYR H . . 5.070 4.609 4.377 4.773 . 0 0 "[ . 1 . 2]" 1
404 1 29 LEU H 1 30 TYR H . . 4.600 4.337 4.277 4.448 . 0 0 "[ . 1 . 2]" 1
405 1 28 PHE QE 1 29 LEU H . . 5.500 5.462 5.362 5.498 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU H 1 69 HIS HE1 . . 5.500 5.065 4.759 5.350 . 0 0 "[ . 1 . 2]" 1
407 1 28 PHE QD 1 29 LEU H . . 4.300 3.273 3.128 3.425 . 0 0 "[ . 1 . 2]" 1
408 1 28 PHE HA 1 29 LEU H . . 2.930 2.601 2.410 2.662 . 0 0 "[ . 1 . 2]" 1
409 1 28 PHE HB2 1 29 LEU H . . 3.830 3.438 3.330 3.751 . 0 0 "[ . 1 . 2]" 1
410 1 28 PHE HB3 1 29 LEU H . . 3.460 2.022 1.905 2.424 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU H 1 29 LEU HB2 . . 3.080 2.598 2.450 2.663 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU H 1 29 LEU HB3 . . 3.970 3.734 3.662 3.779 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU H 1 29 LEU MD1 . . 4.260 4.067 3.720 4.244 . 0 0 "[ . 1 . 2]" 1
414 1 24 VAL HA 1 28 PHE H . . 4.890 4.214 4.043 4.405 . 0 0 "[ . 1 . 2]" 1
415 1 25 HIS H 1 28 PHE H . . 3.490 2.793 2.561 2.986 . 0 0 "[ . 1 . 2]" 1
416 1 28 PHE H 1 28 PHE QD . . 3.910 3.735 2.865 3.870 . 0 0 "[ . 1 . 2]" 1
417 1 28 PHE H 1 30 TYR QE . . 4.310 3.411 3.276 3.649 . 0 0 "[ . 1 . 2]" 1
418 1 27 SER HB3 1 28 PHE H . . 4.670 4.474 3.857 4.658 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLU HA 1 28 PHE H . . 4.610 4.368 4.191 4.578 . 0 0 "[ . 1 . 2]" 1
420 1 27 SER HB2 1 28 PHE H . . 4.670 4.103 3.906 4.466 . 0 0 "[ . 1 . 2]" 1
421 1 28 PHE H 1 28 PHE HB2 . . 3.070 2.531 2.431 2.612 . 0 0 "[ . 1 . 2]" 1
422 1 28 PHE H 1 28 PHE HB3 . . 3.740 3.697 3.647 3.740 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLU HB2 1 28 PHE H . . 4.590 3.901 3.693 4.145 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLU HB3 1 28 PHE H . . 4.590 4.316 4.003 4.578 . 0 0 "[ . 1 . 2]" 1
425 1 28 PHE H 1 29 LEU HG . . 5.340 5.088 4.873 5.306 . 0 0 "[ . 1 . 2]" 1
426 1 24 VAL MG1 1 28 PHE H . . 3.870 3.529 3.267 3.763 . 0 0 "[ . 1 . 2]" 1
427 1 48 ALA H 1 49 ARG H . . 4.730 2.228 2.142 2.707 . 0 0 "[ . 1 . 2]" 1
428 1 49 ARG H 1 50 LEU H . . 4.820 2.520 2.202 3.151 . 0 0 "[ . 1 . 2]" 1
429 1 49 ARG H 1 49 ARG HB3 . . 3.920 2.701 2.246 3.652 . 0 0 "[ . 1 . 2]" 1
430 1 49 ARG H 1 49 ARG HB2 . . 3.920 2.730 2.210 3.517 . 0 0 "[ . 1 . 2]" 1
431 1 48 ALA MB 1 49 ARG H . . 3.930 2.892 2.154 3.185 . 0 0 "[ . 1 . 2]" 1
432 1 40 VAL H 1 58 THR H . . 3.340 2.879 2.622 3.098 . 0 0 "[ . 1 . 2]" 1
433 1 58 THR H 1 58 THR HG1 . . 4.270 3.276 2.148 3.765 . 0 0 "[ . 1 . 2]" 1
434 1 57 ILE HA 1 58 THR H . . 2.830 2.162 2.139 2.386 . 0 0 "[ . 1 . 2]" 1
435 1 41 TYR HA 1 58 THR H . . 4.130 3.777 3.557 4.033 . 0 0 "[ . 1 . 2]" 1
436 1 58 THR H 1 58 THR HB . . 4.170 3.753 3.714 3.912 . 0 0 "[ . 1 . 2]" 1
437 1 40 VAL HB 1 58 THR H . . 4.060 3.341 2.835 3.688 . 0 0 "[ . 1 . 2]" 1
438 1 39 LYS HB3 1 58 THR H . . 4.850 4.494 4.110 4.845 . 0 0 "[ . 1 . 2]" 1
439 1 58 THR H 1 58 THR MG . . 3.440 2.488 2.270 2.869 . 0 0 "[ . 1 . 2]" 1
440 1 57 ILE MG 1 58 THR H . . 3.240 2.442 1.774 2.759 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL MG1 1 58 THR H . . 4.790 4.470 4.038 4.775 . 0 0 "[ . 1 . 2]" 1
442 1 82 ARG QD 1 83 GLN H . . 4.920 4.783 4.060 4.926 0.006 18 0 "[ . 1 . 2]" 1
443 1 83 GLN H 1 83 GLN HB3 . . 2.850 2.164 2.093 2.210 . 0 0 "[ . 1 . 2]" 1
444 1 82 ARG HB2 1 83 GLN H . . 4.010 2.838 2.219 3.236 . 0 0 "[ . 1 . 2]" 1
445 1 82 ARG HB3 1 83 GLN H . . 4.010 3.770 3.404 4.007 . 0 0 "[ . 1 . 2]" 1
446 1 81 LEU HB3 1 83 GLN H . . 5.500 5.300 4.917 5.501 0.001 18 0 "[ . 1 . 2]" 1
447 1 82 ARG HG2 1 83 GLN H . . 5.500 5.129 4.475 5.508 0.008 4 0 "[ . 1 . 2]" 1
448 1 26 GLU HB2 1 27 SER H . . 4.990 4.270 4.081 4.387 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU H 1 27 SER H . . 4.140 2.689 2.640 2.776 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLU HA 1 27 SER H . . 3.240 2.818 2.703 2.988 . 0 0 "[ . 1 . 2]" 1
451 1 27 SER H 1 27 SER HA . . 2.790 2.276 2.274 2.286 . 0 0 "[ . 1 . 2]" 1
452 1 24 VAL MG1 1 27 SER H . . 3.490 3.433 3.301 3.490 . 0 0 "[ . 1 . 2]" 1
453 1 53 ARG H 1 54 SER H . . 3.720 2.524 2.000 3.299 . 0 0 "[ . 1 . 2]" 1
454 1 54 SER H 1 55 ARG H . . 4.730 4.453 4.300 4.633 . 0 0 "[ . 1 . 2]" 1
455 1 53 ARG HA 1 54 SER H . . 3.540 3.060 2.676 3.379 . 0 0 "[ . 1 . 2]" 1
456 1 52 CYS HA 1 54 SER H . . 4.150 3.653 3.050 4.108 . 0 0 "[ . 1 . 2]" 1
457 1 54 SER H 1 54 SER HG . . 4.440 4.246 3.898 4.436 . 0 0 "[ . 1 . 2]" 1
458 1 53 ARG QD 1 54 SER H . . 5.180 4.297 1.937 4.926 . 0 0 "[ . 1 . 2]" 1
459 1 54 SER H 1 67 ARG QD . . 5.500 4.920 3.834 5.479 . 0 0 "[ . 1 . 2]" 1
460 1 54 SER H 1 54 SER HB2 . . 3.070 2.478 2.185 2.941 . 0 0 "[ . 1 . 2]" 1
461 1 53 ARG HB2 1 54 SER H . . 4.700 3.971 3.534 4.339 . 0 0 "[ . 1 . 2]" 1
462 1 53 ARG HB3 1 54 SER H . . 4.700 4.466 4.332 4.651 . 0 0 "[ . 1 . 2]" 1
463 1 66 MET H 1 67 ARG H . . 3.270 2.384 2.053 2.617 . 0 0 "[ . 1 . 2]" 1
464 1 56 ALA HA 1 67 ARG H . . 4.990 4.784 4.323 4.989 . 0 0 "[ . 1 . 2]" 1
465 1 65 VAL HA 1 67 ARG H . . 4.560 4.400 3.557 4.560 . 0 0 "[ . 1 . 2]" 1
466 1 54 SER HA 1 67 ARG H . . 4.410 3.564 3.207 4.102 . 0 0 "[ . 1 . 2]" 1
467 1 54 SER HG 1 67 ARG H . . 4.620 3.539 2.957 4.341 . 0 0 "[ . 1 . 2]" 1
468 1 54 SER HB2 1 67 ARG H . . 5.500 5.423 5.114 5.507 0.007 12 0 "[ . 1 . 2]" 1
469 1 66 MET HB3 1 67 ARG H . . 4.210 3.469 3.092 4.075 . 0 0 "[ . 1 . 2]" 1
470 1 67 ARG H 1 67 ARG HB2 . . 3.880 2.560 2.206 3.500 . 0 0 "[ . 1 . 2]" 1
471 1 67 ARG H 1 67 ARG HB3 . . 3.880 3.302 2.391 3.681 . 0 0 "[ . 1 . 2]" 1
472 1 65 VAL MG1 1 67 ARG H . . 3.360 2.943 2.096 3.346 . 0 0 "[ . 1 . 2]" 1
473 1 26 GLU H 1 26 GLU HG3 . . 5.010 4.354 3.380 4.676 . 0 0 "[ . 1 . 2]" 1
474 1 71 HIS H 1 72 GLN H . . 4.680 4.418 4.372 4.453 . 0 0 "[ . 1 . 2]" 1
475 1 70 CYS H 1 71 HIS H . . 3.330 2.567 2.451 2.718 . 0 0 "[ . 1 . 2]" 1
476 1 70 CYS HA 1 71 HIS H . . 3.360 3.141 3.089 3.294 . 0 0 "[ . 1 . 2]" 1
477 1 69 HIS HA 1 71 HIS H . . 3.880 3.658 3.575 3.776 . 0 0 "[ . 1 . 2]" 1
478 1 70 CYS HB2 1 71 HIS H . . 4.680 4.291 3.773 4.445 . 0 0 "[ . 1 . 2]" 1
479 1 70 CYS HB3 1 71 HIS H . . 4.680 3.889 3.658 4.522 . 0 0 "[ . 1 . 2]" 1
480 1 52 CYS HB2 1 71 HIS H . . 5.140 4.920 3.793 5.147 0.007 7 0 "[ . 1 . 2]" 1
481 1 69 HIS HB2 1 71 HIS H . . 3.300 3.253 3.114 3.290 . 0 0 "[ . 1 . 2]" 1
482 1 69 HIS HB3 1 71 HIS H . . 3.030 2.521 2.438 2.661 . 0 0 "[ . 1 . 2]" 1
483 1 50 LEU MD1 1 71 HIS H . . 4.990 4.824 4.630 4.990 0.000 16 0 "[ . 1 . 2]" 1
484 1 45 ARG H 1 46 ASP H . . 3.620 2.824 2.711 2.979 . 0 0 "[ . 1 . 2]" 1
485 1 30 TYR QD 1 45 ARG H . . 4.480 4.442 4.350 4.478 . 0 0 "[ . 1 . 2]" 1
486 1 30 TYR HA 1 45 ARG H . . 3.320 1.948 1.903 2.050 . 0 0 "[ . 1 . 2]" 1
487 1 44 CYS HA 1 45 ARG H . . 2.900 2.149 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
488 1 44 CYS QB 1 45 ARG H . . 4.200 3.839 3.753 3.898 . 0 0 "[ . 1 . 2]" 1
489 1 43 MET HG3 1 45 ARG H . . 5.380 4.913 4.442 5.336 . 0 0 "[ . 1 . 2]" 1
490 1 45 ARG H 1 45 ARG HD3 . . 5.500 4.146 3.885 4.304 . 0 0 "[ . 1 . 2]" 1
491 1 45 ARG H 1 45 ARG HG2 . . 4.290 2.841 2.676 2.987 . 0 0 "[ . 1 . 2]" 1
492 1 45 ARG H 1 45 ARG HB3 . . 3.330 2.223 2.198 2.265 . 0 0 "[ . 1 . 2]" 1
493 1 80 ALA H 1 82 ARG H . . 4.380 4.130 3.859 4.380 . 11 0 "[ . 1 . 2]" 1
494 1 59 GLN H 1 62 ARG H . . 3.530 3.286 2.884 3.523 . 0 0 "[ . 1 . 2]" 1
495 1 61 HIS H 1 62 ARG H . . 3.690 1.945 1.802 2.041 . 0 0 "[ . 1 . 2]" 1
496 1 62 ARG H 1 62 ARG HG3 . . 4.090 3.410 2.369 4.085 . 0 0 "[ . 1 . 2]" 1
497 1 71 HIS H 1 71 HIS HD2 . . 3.610 3.428 2.976 3.608 . 0 0 "[ . 1 . 2]" 1
498 1 82 ARG H 1 83 GLN H . . 3.220 2.572 2.262 2.952 . 0 0 "[ . 1 . 2]" 1
499 1 83 GLN H 1 84 ARG H . . 3.230 2.600 2.327 2.951 . 0 0 "[ . 1 . 2]" 1
500 1 42 TRP HE1 1 58 THR H . . 3.770 3.286 2.724 3.706 . 0 0 "[ . 1 . 2]" 1
501 1 42 TRP H 1 58 THR H . . 4.930 4.851 4.639 4.930 . 0 0 "[ . 1 . 2]" 1
502 1 12 GLU H 1 13 PHE H . . 4.560 4.526 4.479 4.560 . 16 0 "[ . 1 . 2]" 1
503 1 14 LEU H 1 22 PHE H . . 3.820 3.106 2.678 3.520 . 0 0 "[ . 1 . 2]" 1
504 1 57 ILE H 1 64 MET H . . 3.370 2.801 2.645 2.893 . 0 0 "[ . 1 . 2]" 1
505 1 81 LEU H 1 82 ARG H . . 3.090 2.611 2.248 3.089 . 0 0 "[ . 1 . 2]" 1
506 1 75 LEU H 1 76 ALA H . . 3.410 2.757 2.603 2.838 . 0 0 "[ . 1 . 2]" 1
507 1 74 ASP H 1 75 LEU H . . 4.300 3.647 3.443 3.868 . 0 0 "[ . 1 . 2]" 1
508 1 44 CYS QB 1 54 SER H . . 3.740 3.118 2.748 3.733 . 0 0 "[ . 1 . 2]" 1
509 1 30 TYR QE 1 55 ARG H . . 5.500 4.946 4.075 5.471 . 0 0 "[ . 1 . 2]" 1
510 1 55 ARG H 1 67 ARG H . . 3.730 2.646 2.051 3.516 . 0 0 "[ . 1 . 2]" 1
511 1 63 ILE H 1 64 MET H . . 4.440 4.381 4.336 4.411 . 0 0 "[ . 1 . 2]" 1
512 1 75 LEU H 1 77 GLY H . . 4.800 4.596 4.134 4.798 . 0 0 "[ . 1 . 2]" 1
513 1 78 LEU H 1 79 GLU H . . 3.120 2.587 2.489 2.691 . 0 0 "[ . 1 . 2]" 1
514 1 76 ALA H 1 78 LEU H . . 4.480 3.868 3.618 4.072 . 0 0 "[ . 1 . 2]" 1
515 1 76 ALA H 1 79 GLU H . . 5.110 4.595 4.505 4.743 . 0 0 "[ . 1 . 2]" 1
516 1 79 GLU H 1 82 ARG H . . 5.500 5.041 4.785 5.403 . 0 0 "[ . 1 . 2]" 1
517 1 77 GLY H 1 79 GLU H . . 4.520 4.175 3.778 4.465 . 0 0 "[ . 1 . 2]" 1
518 1 82 ARG H 1 83 GLN HB3 . . 4.810 4.471 4.054 4.810 0.000 18 0 "[ . 1 . 2]" 1
519 1 69 HIS H 1 71 HIS H . . 4.900 4.859 4.739 4.901 0.001 12 0 "[ . 1 . 2]" 1
520 1 15 ARG H 1 16 THR MG . . 4.500 4.441 4.234 4.501 0.001 10 0 "[ . 1 . 2]" 1
521 1 81 LEU H 1 81 LEU HA . . 2.920 2.826 2.680 2.910 . 0 0 "[ . 1 . 2]" 1
522 1 76 ALA H 1 77 GLY H . . 3.510 2.591 2.244 2.733 . 0 0 "[ . 1 . 2]" 1
523 1 45 ARG HB3 1 46 ASP H . . 4.530 3.846 3.578 4.000 . 0 0 "[ . 1 . 2]" 1
524 1 77 GLY H 1 80 ALA H . . 5.100 4.831 4.524 4.991 . 0 0 "[ . 1 . 2]" 1
525 1 44 CYS H 1 55 ARG HA . . 3.720 3.257 2.773 3.553 . 0 0 "[ . 1 . 2]" 1
526 1 33 GLU HB2 1 34 LYS H . . 3.780 3.699 3.548 3.778 . 0 0 "[ . 1 . 2]" 1
527 1 11 LEU H 1 11 LEU MD2 . . 4.890 4.702 4.500 4.869 . 0 0 "[ . 1 . 2]" 1
528 1 11 LEU MD2 1 12 GLU H . . 4.180 4.072 3.703 4.179 . 0 0 "[ . 1 . 2]" 1
529 1 12 GLU HB3 1 13 PHE H . . 4.320 3.839 2.788 4.079 . 0 0 "[ . 1 . 2]" 1
530 1 13 PHE H 1 13 PHE HB3 . . 4.020 3.879 3.795 3.911 . 0 0 "[ . 1 . 2]" 1
531 1 14 LEU H 1 22 PHE HB2 . . 4.060 3.612 2.822 4.041 . 0 0 "[ . 1 . 2]" 1
532 1 27 SER H 1 78 LEU MD2 . . 4.490 4.131 3.379 4.394 . 0 0 "[ . 1 . 2]" 1
533 1 27 SER H 1 28 PHE H . . 3.630 2.647 2.445 2.746 . 0 0 "[ . 1 . 2]" 1
534 1 30 TYR H 1 45 ARG HD3 . . 5.170 4.833 4.379 5.133 . 0 0 "[ . 1 . 2]" 1
535 1 33 GLU H 1 33 GLU HB2 . . 3.550 2.709 2.515 2.861 . 0 0 "[ . 1 . 2]" 1
536 1 42 TRP H 1 57 ILE HG12 . . 4.860 4.289 3.960 4.508 . 0 0 "[ . 1 . 2]" 1
537 1 30 TYR HB3 1 43 MET H . . 3.620 2.629 2.166 3.473 . 0 0 "[ . 1 . 2]" 1
538 1 36 ALA H 1 41 TYR H . . 4.300 4.065 3.806 4.281 . 0 0 "[ . 1 . 2]" 1
539 1 55 ARG QD 1 56 ALA H . . 4.720 4.567 3.830 4.723 0.003 15 0 "[ . 1 . 2]" 1
540 1 43 MET HA 1 56 ALA H . . 3.890 3.603 3.265 3.830 . 0 0 "[ . 1 . 2]" 1
541 1 57 ILE H 1 57 ILE HG13 . . 3.590 3.148 2.685 3.382 . 0 0 "[ . 1 . 2]" 1
542 1 59 GLN H 1 64 MET H . . 5.220 5.151 4.985 5.221 0.001 15 0 "[ . 1 . 2]" 1
543 1 60 GLY HA3 1 62 ARG QB . . 5.270 5.110 4.876 5.269 . 0 0 "[ . 1 . 2]" 1
544 1 37 GLY HA3 1 39 LYS H . . 5.040 4.185 3.618 4.948 . 0 0 "[ . 1 . 2]" 1
545 1 77 GLY HA3 1 80 ALA MB . . 4.100 4.034 3.924 4.100 . 0 0 "[ . 1 . 2]" 1
546 1 57 ILE H 1 57 ILE MD . . 4.220 4.060 3.841 4.220 0.000 14 0 "[ . 1 . 2]" 1
547 1 41 TYR QD 1 57 ILE MD . . 3.980 3.507 3.201 3.855 . 0 0 "[ . 1 . 2]" 1
548 1 57 ILE HA 1 57 ILE MD . . 4.040 3.815 3.773 3.867 . 0 0 "[ . 1 . 2]" 1
549 1 41 TYR HA 1 57 ILE MD . . 4.600 4.253 3.870 4.500 . 0 0 "[ . 1 . 2]" 1
550 1 39 LYS QE 1 57 ILE MD . . 4.400 3.577 1.907 4.378 . 0 0 "[ . 1 . 2]" 1
551 1 57 ILE MD 1 66 MET HG3 . . 4.260 3.746 2.599 4.195 . 0 0 "[ . 1 . 2]" 1
552 1 63 ILE MG 1 64 MET HA . . 4.910 3.624 3.478 3.813 . 0 0 "[ . 1 . 2]" 1
553 1 25 HIS HB2 1 63 ILE MG . . 4.640 3.554 3.243 3.959 . 0 0 "[ . 1 . 2]" 1
554 1 11 LEU HG 1 63 ILE MG . . 5.180 4.843 4.268 5.178 . 0 0 "[ . 1 . 2]" 1
555 1 62 ARG QB 1 63 ILE MG . . 5.340 4.000 3.824 4.244 . 0 0 "[ . 1 . 2]" 1
556 1 11 LEU MD2 1 63 ILE MG . . 4.000 3.400 3.046 3.762 . 0 0 "[ . 1 . 2]" 1
557 1 63 ILE MG 1 65 VAL MG2 . . 4.320 3.555 3.355 3.891 . 0 0 "[ . 1 . 2]" 1
558 1 62 ARG HA 1 63 ILE MG . . 4.210 3.803 3.508 4.004 . 0 0 "[ . 1 . 2]" 1
559 1 11 LEU MD1 1 63 ILE MG . . 3.470 2.304 1.806 2.630 . 0 0 "[ . 1 . 2]" 1
560 1 63 ILE MD 1 63 ILE MG . . 2.950 2.055 1.922 2.316 . 0 0 "[ . 1 . 2]" 1
561 1 23 LEU MD2 1 63 ILE MG . . 4.760 4.583 4.279 4.715 . 0 0 "[ . 1 . 2]" 1
562 1 25 HIS HB3 1 63 ILE MD . . 4.080 2.616 2.418 2.830 . 0 0 "[ . 1 . 2]" 1
563 1 63 ILE HB 1 63 ILE MD . . 3.360 2.410 2.291 2.536 . 0 0 "[ . 1 . 2]" 1
564 1 25 HIS H 1 63 ILE MD . . 5.420 4.718 4.553 4.840 . 0 0 "[ . 1 . 2]" 1
565 1 57 ILE H 1 63 ILE MD . . 5.500 4.735 4.478 5.136 . 0 0 "[ . 1 . 2]" 1
566 1 63 ILE HA 1 63 ILE MD . . 4.200 3.715 3.506 3.805 . 0 0 "[ . 1 . 2]" 1
567 1 25 HIS HB2 1 63 ILE MD . . 3.720 2.004 1.885 2.119 . 0 0 "[ . 1 . 2]" 1
568 1 11 LEU MD2 1 63 ILE MD . . 3.350 2.400 2.024 2.830 . 0 0 "[ . 1 . 2]" 1
569 1 11 LEU MD1 1 63 ILE MD . . 3.500 2.096 1.891 2.495 . 0 0 "[ . 1 . 2]" 1
570 1 56 ALA MB 1 63 ILE MD . . 3.430 2.677 2.349 3.064 . 0 0 "[ . 1 . 2]" 1
571 1 23 LEU MD2 1 63 ILE MD . . 3.160 1.994 1.753 2.161 . 0 0 "[ . 1 . 2]" 1
572 1 28 PHE HA 1 29 LEU HB2 . . 5.110 4.385 4.278 4.516 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU HB2 1 45 ARG HD2 . . 4.770 4.069 3.683 4.628 . 0 0 "[ . 1 . 2]" 1
574 1 22 PHE HB3 1 29 LEU HB3 . . 4.400 3.800 3.522 4.152 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU HB3 1 45 ARG HG2 . . 5.500 3.382 2.644 4.054 . 0 0 "[ . 1 . 2]" 1
576 1 14 LEU H 1 14 LEU HB3 . . 3.970 3.710 3.692 3.755 . 0 0 "[ . 1 . 2]" 1
577 1 14 LEU HB3 1 22 PHE HB3 . . 5.020 3.898 3.250 4.705 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU HB2 1 45 ARG HD3 . . 4.370 2.527 2.009 3.258 . 0 0 "[ . 1 . 2]" 1
579 1 22 PHE QD 1 29 LEU HB3 . . 4.980 3.431 2.786 4.027 . 0 0 "[ . 1 . 2]" 1
580 1 14 LEU HB3 1 22 PHE HB2 . . 4.240 2.802 2.405 3.283 . 0 0 "[ . 1 . 2]" 1
581 1 14 LEU HB3 1 14 LEU MD1 . . 3.520 2.567 2.350 2.709 . 0 0 "[ . 1 . 2]" 1
582 1 14 LEU HB3 1 22 PHE QD . . 4.700 3.733 3.141 4.326 . 0 0 "[ . 1 . 2]" 1
583 1 14 LEU HB2 1 22 PHE QD . . 4.630 3.918 3.277 4.424 . 0 0 "[ . 1 . 2]" 1
584 1 7 GLY QA 1 8 LEU HB2 . . 5.430 4.726 3.958 5.240 . 0 0 "[ . 1 . 2]" 1
585 1 7 GLY QA 1 8 LEU HB3 . . 5.430 4.336 3.662 5.015 . 0 0 "[ . 1 . 2]" 1
586 1 16 THR MG 1 20 GLY HA2 . . 4.900 4.233 3.286 4.832 . 0 0 "[ . 1 . 2]" 1
587 1 16 THR MG 1 20 GLY HA3 . . 4.900 3.746 2.174 4.643 . 0 0 "[ . 1 . 2]" 1
588 1 31 ARG H 1 31 ARG QD . . 4.870 4.249 3.747 4.508 . 0 0 "[ . 1 . 2]" 1
589 1 22 PHE QE 1 31 ARG QD . . 4.350 2.927 1.979 3.934 . 0 0 "[ . 1 . 2]" 1
590 1 31 ARG HA 1 31 ARG QD . . 4.760 4.223 3.727 4.399 . 0 0 "[ . 1 . 2]" 1
591 1 31 ARG QD 1 45 ARG HA . . 4.360 2.195 1.974 3.635 . 0 0 "[ . 1 . 2]" 1
592 1 31 ARG QD 1 43 MET HG3 . . 4.980 3.860 2.743 4.877 . 0 0 "[ . 1 . 2]" 1
593 1 31 ARG HB2 1 31 ARG QD . . 3.400 2.552 2.326 3.209 . 0 0 "[ . 1 . 2]" 1
594 1 31 ARG HB3 1 31 ARG QD . . 3.830 2.622 2.215 3.027 . 0 0 "[ . 1 . 2]" 1
595 1 31 ARG QD 1 45 ARG HB3 . . 5.120 3.299 2.939 4.196 . 0 0 "[ . 1 . 2]" 1
596 1 31 ARG QD 1 45 ARG HG3 . . 5.500 4.425 4.024 5.480 . 0 0 "[ . 1 . 2]" 1
597 1 43 MET HA 1 55 ARG QD . . 4.470 3.844 3.205 4.414 . 0 0 "[ . 1 . 2]" 1
598 1 43 MET HB3 1 55 ARG QD . . 4.570 3.281 2.568 3.957 . 0 0 "[ . 1 . 2]" 1
599 1 43 MET HB2 1 55 ARG QD . . 5.250 3.734 2.891 4.541 . 0 0 "[ . 1 . 2]" 1
600 1 55 ARG HB3 1 55 ARG QD . . 3.470 2.848 2.083 3.464 . 0 0 "[ . 1 . 2]" 1
601 1 55 ARG HB2 1 55 ARG QD . . 3.030 2.488 2.171 3.025 . 0 0 "[ . 1 . 2]" 1
602 1 79 GLU HA 1 82 ARG QD . . 3.630 2.720 1.991 3.613 . 0 0 "[ . 1 . 2]" 1
603 1 82 ARG HB2 1 82 ARG QD . . 3.570 2.388 2.045 3.189 . 0 0 "[ . 1 . 2]" 1
604 1 78 LEU HG 1 82 ARG QD . . 3.870 2.602 1.940 3.870 0.000 5 0 "[ . 1 . 2]" 1
605 1 14 LEU MD1 1 82 ARG QD . . 4.340 2.949 1.762 3.613 . 0 0 "[ . 1 . 2]" 1
606 1 86 ARG QD 1 87 LEU H . . 5.420 4.429 2.830 5.415 . 0 0 "[ . 1 . 2]" 1
607 1 84 ARG HA 1 84 ARG QD . . 4.280 4.015 3.351 4.282 0.002 1 0 "[ . 1 . 2]" 1
608 1 81 LEU MD2 1 84 ARG QD . . 3.930 3.093 2.125 3.927 . 0 0 "[ . 1 . 2]" 1
609 1 9 ARG H 1 62 ARG QD . . 5.370 3.334 1.826 5.354 . 0 0 "[ . 1 . 2]" 1
610 1 67 ARG H 1 67 ARG QD . . 5.000 4.490 2.843 4.989 . 0 0 "[ . 1 . 2]" 1
611 1 8 LEU MD1 1 62 ARG QD . . 4.930 2.846 1.805 4.477 . 0 0 "[ . 1 . 2]" 1
612 1 21 ARG HA 1 21 ARG HD3 . . 4.990 3.610 2.470 4.737 . 0 0 "[ . 1 . 2]" 1
613 1 21 ARG HB3 1 21 ARG HD3 . . 4.160 3.530 2.402 3.928 . 0 0 "[ . 1 . 2]" 1
614 1 21 ARG HA 1 21 ARG HD2 . . 4.990 3.733 2.159 4.950 . 0 0 "[ . 1 . 2]" 1
615 1 22 PHE HZ 1 45 ARG HD3 . . 5.180 3.848 3.487 4.312 . 0 0 "[ . 1 . 2]" 1
616 1 45 ARG HB2 1 45 ARG HD3 . . 3.880 3.093 2.900 3.349 . 0 0 "[ . 1 . 2]" 1
617 1 45 ARG HB3 1 45 ARG HD3 . . 3.560 2.525 2.469 2.576 . 0 0 "[ . 1 . 2]" 1
618 1 45 ARG HA 1 45 ARG HD3 . . 4.890 4.864 4.776 4.891 0.001 15 0 "[ . 1 . 2]" 1
619 1 29 LEU HB3 1 45 ARG HD3 . . 4.020 2.107 2.002 2.268 . 0 0 "[ . 1 . 2]" 1
620 1 22 PHE QD 1 45 ARG HD2 . . 4.990 4.296 4.012 4.768 . 0 0 "[ . 1 . 2]" 1
621 1 45 ARG HA 1 45 ARG HD2 . . 4.830 4.682 4.636 4.751 . 0 0 "[ . 1 . 2]" 1
622 1 45 ARG HB3 1 45 ARG HD2 . . 4.040 3.020 2.749 3.213 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU HB3 1 45 ARG HD2 . . 4.270 3.759 3.380 4.033 . 0 0 "[ . 1 . 2]" 1
624 1 29 LEU MD1 1 45 ARG HD2 . . 4.010 3.391 3.136 3.783 . 0 0 "[ . 1 . 2]" 1
625 1 23 LEU HB3 1 30 TYR H . . 4.960 3.023 2.781 3.196 . 0 0 "[ . 1 . 2]" 1
626 1 53 ARG HA 1 53 ARG QD . . 3.520 2.799 2.014 3.493 . 0 0 "[ . 1 . 2]" 1
627 1 53 ARG H 1 53 ARG QD . . 5.060 2.755 1.883 4.047 . 0 0 "[ . 1 . 2]" 1
628 1 55 ARG H 1 67 ARG QD . . 4.830 4.400 3.206 4.832 0.002 18 0 "[ . 1 . 2]" 1
629 1 52 CYS H 1 53 ARG QD . . 4.970 4.464 3.939 4.964 . 0 0 "[ . 1 . 2]" 1
630 1 53 ARG HB2 1 53 ARG QD . . 3.490 3.072 2.130 3.500 0.010 10 0 "[ . 1 . 2]" 1
631 1 87 LEU H 1 87 LEU HB3 . . 3.880 2.799 2.176 3.805 . 0 0 "[ . 1 . 2]" 1
632 1 23 LEU HB3 1 42 TRP HZ3 . . 4.370 3.633 3.410 3.921 . 0 0 "[ . 1 . 2]" 1
633 1 23 LEU HB3 1 30 TYR HB3 . . 4.350 3.871 3.642 3.970 . 0 0 "[ . 1 . 2]" 1
634 1 23 LEU HB2 1 42 TRP HZ3 . . 4.640 3.174 2.938 3.382 . 0 0 "[ . 1 . 2]" 1
635 1 30 TYR HB3 1 44 CYS HA . . 4.770 3.515 3.332 3.669 . 0 0 "[ . 1 . 2]" 1
636 1 22 PHE HB3 1 23 LEU HB2 . . 5.500 5.461 5.343 5.505 0.005 15 0 "[ . 1 . 2]" 1
637 1 23 LEU HB2 1 30 TYR HB3 . . 5.500 5.406 5.156 5.494 . 0 0 "[ . 1 . 2]" 1
638 1 23 LEU HB2 1 30 TYR HB2 . . 4.060 3.825 3.628 3.921 . 0 0 "[ . 1 . 2]" 1
639 1 23 LEU HB3 1 30 TYR HB2 . . 3.430 2.191 2.009 2.286 . 0 0 "[ . 1 . 2]" 1
640 1 50 LEU HB2 1 52 CYS H . . 5.110 3.324 2.609 3.863 . 0 0 "[ . 1 . 2]" 1
641 1 46 ASP HB3 1 50 LEU HB2 . . 4.760 2.429 1.997 3.614 . 0 0 "[ . 1 . 2]" 1
642 1 50 LEU HB3 1 71 HIS HD2 . . 5.110 2.822 2.334 3.660 . 0 0 "[ . 1 . 2]" 1
643 1 46 ASP HB3 1 50 LEU HB3 . . 4.760 3.920 3.543 4.761 0.001 16 0 "[ . 1 . 2]" 1
644 1 50 LEU HB3 1 52 CYS HB2 . . 4.600 3.628 3.187 4.254 . 0 0 "[ . 1 . 2]" 1
645 1 46 ASP HB2 1 50 LEU HB3 . . 4.760 4.133 3.318 4.683 . 0 0 "[ . 1 . 2]" 1
646 1 50 LEU HB3 1 50 LEU MD1 . . 3.560 2.383 2.169 2.534 . 0 0 "[ . 1 . 2]" 1
647 1 13 PHE HB3 1 23 LEU HA . . 4.850 3.609 3.332 4.334 . 0 0 "[ . 1 . 2]" 1
648 1 13 PHE HB2 1 21 ARG QG . . 5.080 4.529 3.838 5.078 . 0 0 "[ . 1 . 2]" 1
649 1 78 LEU HA 1 81 LEU HB2 . . 4.090 3.203 2.836 3.618 . 0 0 "[ . 1 . 2]" 1
650 1 81 LEU HB2 1 81 LEU MD1 . . 3.290 2.141 1.977 2.260 . 0 0 "[ . 1 . 2]" 1
651 1 81 LEU HB2 1 82 ARG H . . 3.960 2.796 2.458 3.193 . 0 0 "[ . 1 . 2]" 1
652 1 8 LEU HB3 1 9 ARG H . . 4.730 4.358 3.795 4.588 . 0 0 "[ . 1 . 2]" 1
653 1 81 LEU H 1 81 LEU HB3 . . 3.740 3.518 3.473 3.579 . 0 0 "[ . 1 . 2]" 1
654 1 30 TYR HB3 1 45 ARG H . . 5.500 4.203 4.090 4.274 . 0 0 "[ . 1 . 2]" 1
655 1 14 LEU HB2 1 22 PHE HB3 . . 4.080 2.769 2.317 3.760 . 0 0 "[ . 1 . 2]" 1
656 1 14 LEU MD1 1 22 PHE HB3 . . 4.340 3.405 2.893 4.179 . 0 0 "[ . 1 . 2]" 1
657 1 22 PHE HB3 1 29 LEU MD2 . . 3.590 2.286 1.907 2.628 . 0 0 "[ . 1 . 2]" 1
658 1 22 PHE H 1 22 PHE HB2 . . 3.870 2.396 2.266 2.687 . 0 0 "[ . 1 . 2]" 1
659 1 14 LEU HB2 1 22 PHE HB2 . . 3.760 2.392 2.033 2.867 . 0 0 "[ . 1 . 2]" 1
660 1 14 LEU MD1 1 22 PHE HB2 . . 4.520 3.599 2.969 3.883 . 0 0 "[ . 1 . 2]" 1
661 1 16 THR MG 1 22 PHE HB2 . . 4.790 3.250 2.773 3.914 . 0 0 "[ . 1 . 2]" 1
662 1 22 PHE HB2 1 29 LEU MD2 . . 3.750 3.452 3.011 3.723 . 0 0 "[ . 1 . 2]" 1
663 1 8 LEU HB2 1 9 ARG H . . 4.730 3.888 2.395 4.617 . 0 0 "[ . 1 . 2]" 1
664 1 39 LYS QE 1 41 TYR QE . . 4.720 3.337 2.505 4.381 . 0 0 "[ . 1 . 2]" 1
665 1 39 LYS HB2 1 39 LYS QE . . 4.180 2.390 2.011 3.059 . 0 0 "[ . 1 . 2]" 1
666 1 36 ALA H 1 39 LYS QE . . 5.500 4.845 4.315 5.446 . 0 0 "[ . 1 . 2]" 1
667 1 39 LYS QE 1 40 VAL H . . 5.500 5.060 3.996 5.501 0.001 19 0 "[ . 1 . 2]" 1
668 1 39 LYS HA 1 39 LYS QE . . 4.970 4.375 4.048 4.680 . 0 0 "[ . 1 . 2]" 1
669 1 39 LYS QE 1 39 LYS HG3 . . 3.540 2.684 2.115 3.490 . 0 0 "[ . 1 . 2]" 1
670 1 39 LYS QE 1 39 LYS HG2 . . 3.540 3.087 2.255 3.496 . 0 0 "[ . 1 . 2]" 1
671 1 10 PRO HA 1 11 LEU HB3 . . 4.730 4.672 4.487 4.729 . 0 0 "[ . 1 . 2]" 1
672 1 78 LEU HB2 1 79 GLU H . . 4.330 4.005 3.855 4.108 . 0 0 "[ . 1 . 2]" 1
673 1 57 ILE HB 1 57 ILE MD . . 3.290 2.320 2.217 2.408 . 0 0 "[ . 1 . 2]" 1
674 1 78 LEU HB2 1 78 LEU MD1 . . 3.540 2.192 2.084 2.320 . 0 0 "[ . 1 . 2]" 1
675 1 57 ILE HB 1 58 THR H . . 4.900 4.246 3.655 4.397 . 0 0 "[ . 1 . 2]" 1
676 1 74 ASP H 1 78 LEU HB3 . . 5.350 4.698 4.463 4.921 . 0 0 "[ . 1 . 2]" 1
677 1 11 LEU H 1 11 LEU HB2 . . 3.820 3.182 3.001 3.411 . 0 0 "[ . 1 . 2]" 1
678 1 11 LEU HB2 1 13 PHE QE . . 4.900 4.047 3.775 4.636 . 0 0 "[ . 1 . 2]" 1
679 1 11 LEU HB2 1 13 PHE HZ . . 5.150 3.822 3.358 4.688 . 0 0 "[ . 1 . 2]" 1
680 1 11 LEU HB2 1 23 LEU MD1 . . 4.770 4.475 4.243 4.670 . 0 0 "[ . 1 . 2]" 1
681 1 32 LYS HB2 1 32 LYS HE2 . . 5.500 4.631 3.758 5.053 . 0 0 "[ . 1 . 2]" 1
682 1 32 LYS HB2 1 32 LYS HE3 . . 5.500 4.661 4.166 4.960 . 0 0 "[ . 1 . 2]" 1
683 1 32 LYS HE3 1 40 VAL MG1 . . 4.530 3.307 2.208 4.137 . 0 0 "[ . 1 . 2]" 1
684 1 46 ASP HB3 1 50 LEU MD2 . . 4.900 3.832 3.662 4.033 . 0 0 "[ . 1 . 2]" 1
685 1 32 LYS HE2 1 40 VAL MG1 . . 4.530 3.472 2.067 4.438 . 0 0 "[ . 1 . 2]" 1
686 1 46 ASP HB2 1 50 LEU HB2 . . 4.760 2.545 1.984 3.013 . 0 0 "[ . 1 . 2]" 1
687 1 46 ASP HB2 1 50 LEU HG . . 4.320 3.569 1.996 3.929 . 0 0 "[ . 1 . 2]" 1
688 1 46 ASP HB2 1 50 LEU MD1 . . 4.000 2.672 2.039 3.384 . 0 0 "[ . 1 . 2]" 1
689 1 34 LYS HE3 1 41 TYR QD . . 4.870 3.969 3.151 4.819 . 0 0 "[ . 1 . 2]" 1
690 1 34 LYS HE3 1 34 LYS HG2 . . 4.220 3.369 2.409 4.223 0.003 17 0 "[ . 1 . 2]" 1
691 1 34 LYS HE3 1 34 LYS HG3 . . 4.220 2.953 2.126 4.101 . 0 0 "[ . 1 . 2]" 1
692 1 34 LYS HE2 1 34 LYS HG3 . . 4.220 3.075 2.246 3.875 . 0 0 "[ . 1 . 2]" 1
693 1 34 LYS HE2 1 34 LYS HG2 . . 4.220 3.261 2.121 4.187 . 0 0 "[ . 1 . 2]" 1
694 1 11 LEU MD2 1 63 ILE HB . . 3.420 2.165 1.846 2.616 . 0 0 "[ . 1 . 2]" 1
695 1 28 PHE HB2 1 69 HIS HE1 . . 5.240 3.991 3.419 4.305 . 0 0 "[ . 1 . 2]" 1
696 1 28 PHE HB3 1 30 TYR QE . . 4.250 2.983 2.746 3.252 . 0 0 "[ . 1 . 2]" 1
697 1 75 LEU HB3 1 76 ALA H . . 5.020 4.093 3.889 4.293 . 0 0 "[ . 1 . 2]" 1
698 1 75 LEU HB3 1 75 LEU MD2 . . 3.600 2.518 2.332 2.642 . 0 0 "[ . 1 . 2]" 1
699 1 75 LEU H 1 75 LEU HB3 . . 4.060 3.567 3.498 3.592 . 0 0 "[ . 1 . 2]" 1
700 1 75 LEU HB3 1 75 LEU MD1 . . 3.450 2.204 2.055 2.415 . 0 0 "[ . 1 . 2]" 1
701 1 73 PRO HA 1 74 ASP HB3 . . 5.500 5.320 4.880 5.461 . 0 0 "[ . 1 . 2]" 1
702 1 74 ASP HB3 1 75 LEU HA . . 5.500 5.011 4.899 5.083 . 0 0 "[ . 1 . 2]" 1
703 1 41 TYR HB3 1 42 TRP HA . . 5.300 4.354 4.248 4.480 . 0 0 "[ . 1 . 2]" 1
704 1 41 TYR HB3 1 57 ILE HA . . 5.500 4.888 4.671 5.067 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLU HB3 1 41 TYR HB3 . . 3.860 2.831 2.379 3.324 . 0 0 "[ . 1 . 2]" 1
706 1 34 LYS HG2 1 41 TYR HB3 . . 4.530 3.519 2.871 4.445 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLU HG2 1 41 TYR HB2 . . 5.500 4.507 3.798 5.463 . 0 0 "[ . 1 . 2]" 1
708 1 34 LYS HD2 1 41 TYR HB2 . . 5.500 4.406 2.962 4.991 . 0 0 "[ . 1 . 2]" 1
709 1 34 LYS HD3 1 41 TYR HB2 . . 5.500 3.968 2.389 4.673 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLU HB3 1 41 TYR HB2 . . 3.850 2.738 2.400 2.932 . 0 0 "[ . 1 . 2]" 1
711 1 58 THR HB 1 63 ILE HA . . 4.600 3.572 3.159 3.948 . 0 0 "[ . 1 . 2]" 1
712 1 40 VAL HB 1 58 THR HB . . 4.600 4.340 4.260 4.577 . 0 0 "[ . 1 . 2]" 1
713 1 14 LEU MD2 1 85 GLU HG2 . . 4.420 3.110 2.044 4.259 . 0 0 "[ . 1 . 2]" 1
714 1 85 GLU HG2 1 86 ARG H . . 5.360 4.384 3.241 5.017 . 0 0 "[ . 1 . 2]" 1
715 1 14 LEU MD2 1 85 GLU HG3 . . 4.420 3.102 1.942 4.411 . 0 0 "[ . 1 . 2]" 1
716 1 55 ARG HB2 1 56 ALA H . . 4.200 3.870 3.548 4.205 0.005 16 0 "[ . 1 . 2]" 1
717 1 33 GLU HA 1 33 GLU HG2 . . 3.860 3.284 2.355 3.827 . 0 0 "[ . 1 . 2]" 1
718 1 12 GLU HG2 1 24 VAL MG1 . . 5.150 3.214 2.817 4.316 . 0 0 "[ . 1 . 2]" 1
719 1 12 GLU HG2 1 24 VAL MG2 . . 5.500 2.714 2.036 4.199 . 0 0 "[ . 1 . 2]" 1
720 1 33 GLU H 1 33 GLU HG3 . . 4.920 4.527 4.372 4.670 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLU HG3 1 34 LYS H . . 4.820 4.085 3.228 4.758 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLU HA 1 33 GLU HG3 . . 3.860 2.952 2.367 3.735 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLU HG3 1 41 TYR HB2 . . 5.500 4.853 3.761 5.455 . 0 0 "[ . 1 . 2]" 1
724 1 12 GLU HG3 1 24 VAL MG1 . . 5.150 4.171 3.495 5.145 . 0 0 "[ . 1 . 2]" 1
725 1 12 GLU HG3 1 24 VAL MG2 . . 5.500 3.533 2.447 5.370 . 0 0 "[ . 1 . 2]" 1
726 1 33 GLU HG2 1 34 LYS H . . 4.820 3.924 3.160 4.745 . 0 0 "[ . 1 . 2]" 1
727 1 76 ALA MB 1 79 GLU QG . . 5.500 5.223 4.889 5.342 . 0 0 "[ . 1 . 2]" 1
728 1 78 LEU HB2 1 79 GLU QG . . 5.500 5.375 5.130 5.480 . 0 0 "[ . 1 . 2]" 1
729 1 78 LEU MD2 1 79 GLU QG . . 4.920 3.453 3.186 3.634 . 0 0 "[ . 1 . 2]" 1
730 1 12 GLU H 1 12 GLU HG3 . . 4.980 4.481 3.865 4.644 . 0 0 "[ . 1 . 2]" 1
731 1 57 ILE H 1 64 MET HB2 . . 4.720 3.667 2.647 4.557 . 0 0 "[ . 1 . 2]" 1
732 1 64 MET H 1 64 MET HB2 . . 3.820 3.062 2.571 3.568 . 0 0 "[ . 1 . 2]" 1
733 1 57 ILE MG 1 64 MET HB2 . . 4.720 3.848 3.057 4.728 0.008 18 0 "[ . 1 . 2]" 1
734 1 57 ILE H 1 64 MET HB3 . . 4.720 3.158 2.256 3.817 . 0 0 "[ . 1 . 2]" 1
735 1 26 GLU H 1 26 GLU HG2 . . 5.010 3.110 2.928 3.512 . 0 0 "[ . 1 . 2]" 1
736 1 25 HIS HE1 1 26 GLU HG2 . . 4.600 2.882 2.341 4.068 . 0 0 "[ . 1 . 2]" 1
737 1 25 HIS HD2 1 26 GLU HG2 . . 5.060 4.737 3.997 5.055 . 0 0 "[ . 1 . 2]" 1
738 1 39 LYS HB3 1 57 ILE MD . . 5.350 4.132 3.245 4.812 . 0 0 "[ . 1 . 2]" 1
739 1 26 GLU HA 1 26 GLU HG3 . . 3.880 3.592 3.139 3.664 . 0 0 "[ . 1 . 2]" 1
740 1 39 LYS H 1 39 LYS HB3 . . 4.060 3.691 3.569 3.912 . 0 0 "[ . 1 . 2]" 1
741 1 39 LYS HB3 1 41 TYR QE . . 4.660 3.382 2.942 4.413 . 0 0 "[ . 1 . 2]" 1
742 1 39 LYS HB3 1 39 LYS QE . . 4.820 2.846 2.043 3.631 . 0 0 "[ . 1 . 2]" 1
743 1 31 ARG HB2 1 45 ARG HA . . 4.430 4.086 3.712 4.359 . 0 0 "[ . 1 . 2]" 1
744 1 31 ARG HB2 1 43 MET HG2 . . 5.500 3.102 2.600 3.662 . 0 0 "[ . 1 . 2]" 1
745 1 31 ARG HB2 1 43 MET HG3 . . 5.500 3.057 2.506 3.529 . 0 0 "[ . 1 . 2]" 1
746 1 22 PHE QD 1 31 ARG HB3 . . 4.290 4.190 3.674 4.291 0.001 9 0 "[ . 1 . 2]" 1
747 1 31 ARG HB2 1 45 ARG HB3 . . 5.500 5.028 4.757 5.381 . 0 0 "[ . 1 . 2]" 1
748 1 34 LYS HB2 1 34 LYS HD2 . . 4.170 2.823 2.350 3.567 . 0 0 "[ . 1 . 2]" 1
749 1 34 LYS HB3 1 34 LYS HD2 . . 4.170 2.928 2.222 4.184 0.014 19 0 "[ . 1 . 2]" 1
750 1 34 LYS HB3 1 34 LYS HD3 . . 4.170 3.153 2.482 3.794 . 0 0 "[ . 1 . 2]" 1
751 1 72 GLN HA 1 72 GLN HG2 . . 4.060 3.228 2.250 3.844 . 0 0 "[ . 1 . 2]" 1
752 1 83 GLN H 1 83 GLN HG3 . . 4.380 3.795 2.890 4.376 . 0 0 "[ . 1 . 2]" 1
753 1 72 GLN HA 1 72 GLN HG3 . . 4.060 3.389 2.374 3.907 . 0 0 "[ . 1 . 2]" 1
754 1 83 GLN H 1 83 GLN HG2 . . 4.380 3.678 2.803 4.387 0.007 18 0 "[ . 1 . 2]" 1
755 1 39 LYS HA 1 59 GLN QG . . 4.050 3.018 1.945 4.049 . 0 0 "[ . 1 . 2]" 1
756 1 39 LYS QE 1 59 GLN QG . . 4.830 4.266 3.404 4.814 . 0 0 "[ . 1 . 2]" 1
757 1 39 LYS HG3 1 59 GLN QG . . 4.420 2.868 2.154 4.284 . 0 0 "[ . 1 . 2]" 1
758 1 39 LYS HG2 1 59 GLN QG . . 4.420 2.213 1.924 2.742 . 0 0 "[ . 1 . 2]" 1
759 1 47 GLN H 1 47 GLN HG3 . . 4.980 3.509 2.073 4.641 . 0 0 "[ . 1 . 2]" 1
760 1 66 MET HB2 1 67 ARG H . . 4.430 2.220 2.027 3.183 . 0 0 "[ . 1 . 2]" 1
761 1 55 ARG H 1 66 MET HB2 . . 5.020 3.257 2.451 3.784 . 0 0 "[ . 1 . 2]" 1
762 1 21 ARG HB3 1 22 PHE H . . 4.550 3.881 3.419 4.210 . 0 0 "[ . 1 . 2]" 1
763 1 21 ARG HB3 1 42 TRP HH2 . . 5.500 3.611 3.033 5.006 . 0 0 "[ . 1 . 2]" 1
764 1 23 LEU MD2 1 25 HIS HB3 . . 4.920 3.220 3.029 3.634 . 0 0 "[ . 1 . 2]" 1
765 1 23 LEU HG 1 25 HIS HB3 . . 4.440 3.410 3.184 3.896 . 0 0 "[ . 1 . 2]" 1
766 1 25 HIS HB2 1 30 TYR QE . . 4.260 4.107 3.557 4.259 . 0 0 "[ . 1 . 2]" 1
767 1 11 LEU MD1 1 25 HIS HB2 . . 4.180 2.600 2.095 3.043 . 0 0 "[ . 1 . 2]" 1
768 1 23 LEU MD2 1 25 HIS HB2 . . 4.460 3.326 2.885 3.691 . 0 0 "[ . 1 . 2]" 1
769 1 40 VAL HB 1 58 THR HG1 . . 3.870 2.450 2.083 2.747 . 0 0 "[ . 1 . 2]" 1
770 1 21 ARG HB2 1 22 PHE H . . 4.550 4.084 2.750 4.429 . 0 0 "[ . 1 . 2]" 1
771 1 21 ARG HB2 1 42 TRP HH2 . . 5.500 4.948 4.267 5.494 . 0 0 "[ . 1 . 2]" 1
772 1 21 ARG HB2 1 21 ARG HD3 . . 4.160 2.893 2.141 3.969 . 0 0 "[ . 1 . 2]" 1
773 1 21 ARG HB2 1 21 ARG HD2 . . 4.160 3.167 2.383 3.674 . 0 0 "[ . 1 . 2]" 1
774 1 21 ARG HB3 1 21 ARG HD2 . . 4.160 3.529 2.089 4.170 0.010 20 0 "[ . 1 . 2]" 1
775 1 55 ARG H 1 67 ARG HB3 . . 4.400 3.478 1.904 4.398 . 0 0 "[ . 1 . 2]" 1
776 1 32 LYS HB3 1 42 TRP HE3 . . 4.850 4.764 4.605 4.845 . 0 0 "[ . 1 . 2]" 1
777 1 32 LYS HB3 1 32 LYS HE2 . . 5.500 4.293 2.397 4.632 . 0 0 "[ . 1 . 2]" 1
778 1 32 LYS HB3 1 32 LYS HE3 . . 5.500 4.481 3.817 4.721 . 0 0 "[ . 1 . 2]" 1
779 1 32 LYS HB3 1 32 LYS QD . . 3.690 2.245 2.106 2.479 . 0 0 "[ . 1 . 2]" 1
780 1 32 LYS HB3 1 40 VAL MG1 . . 4.990 4.329 4.041 4.524 . 0 0 "[ . 1 . 2]" 1
781 1 32 LYS HB2 1 32 LYS QD . . 3.690 2.569 2.465 2.685 . 0 0 "[ . 1 . 2]" 1
782 1 30 TYR HB2 1 42 TRP HB3 . . 3.820 2.383 2.018 2.589 . 0 0 "[ . 1 . 2]" 1
783 1 41 TYR HA 1 42 TRP HB2 . . 4.860 4.515 4.472 4.557 . 0 0 "[ . 1 . 2]" 1
784 1 42 TRP HB2 1 58 THR MG . . 5.100 3.851 3.666 4.050 . 0 0 "[ . 1 . 2]" 1
785 1 10 PRO HB2 1 11 LEU H . . 4.020 2.142 1.922 2.501 . 0 0 "[ . 1 . 2]" 1
786 1 67 ARG HB2 1 67 ARG QD . . 3.920 2.721 2.109 3.263 . 0 0 "[ . 1 . 2]" 1
787 1 9 ARG HA 1 10 PRO HB3 . . 4.950 4.830 4.829 4.833 . 0 0 "[ . 1 . 2]" 1
788 1 33 GLU HB2 1 41 TYR HB3 . . 4.590 4.158 3.704 4.536 . 0 0 "[ . 1 . 2]" 1
789 1 33 GLU HB2 1 41 TYR HB2 . . 4.670 4.432 4.073 4.605 . 0 0 "[ . 1 . 2]" 1
790 1 67 ARG HB3 1 67 ARG QD . . 3.920 2.449 2.073 3.416 . 0 0 "[ . 1 . 2]" 1
791 1 50 LEU MD2 1 71 HIS HB2 . . 5.410 3.876 3.149 4.840 . 0 0 "[ . 1 . 2]" 1
792 1 66 MET H 1 66 MET HG3 . . 3.980 3.054 2.105 3.881 . 0 0 "[ . 1 . 2]" 1
793 1 56 ALA HA 1 66 MET HG3 . . 4.300 2.963 2.023 4.057 . 0 0 "[ . 1 . 2]" 1
794 1 66 MET HA 1 66 MET HG3 . . 4.240 3.597 3.314 3.889 . 0 0 "[ . 1 . 2]" 1
795 1 65 VAL HA 1 66 MET HG3 . . 5.310 4.310 3.394 5.288 . 0 0 "[ . 1 . 2]" 1
796 1 56 ALA MB 1 66 MET HG3 . . 5.500 4.461 3.629 5.315 . 0 0 "[ . 1 . 2]" 1
797 1 66 MET H 1 66 MET HG2 . . 3.980 2.955 2.197 3.783 . 0 0 "[ . 1 . 2]" 1
798 1 56 ALA HA 1 66 MET HG2 . . 4.300 3.225 2.009 4.194 . 0 0 "[ . 1 . 2]" 1
799 1 64 MET HA 1 64 MET HG3 . . 4.100 2.729 2.220 3.287 . 0 0 "[ . 1 . 2]" 1
800 1 57 ILE MD 1 66 MET HG2 . . 4.260 3.657 2.664 4.231 . 0 0 "[ . 1 . 2]" 1
801 1 69 HIS HB3 1 71 HIS HD2 . . 4.510 3.995 3.807 4.168 . 0 0 "[ . 1 . 2]" 1
802 1 65 VAL H 1 65 VAL HB . . 3.410 2.621 2.402 2.769 . 0 0 "[ . 1 . 2]" 1
803 1 64 MET HA 1 65 VAL HB . . 4.850 4.650 4.433 4.804 . 0 0 "[ . 1 . 2]" 1
804 1 33 GLU HB3 1 42 TRP HA . . 4.540 3.839 3.571 4.097 . 0 0 "[ . 1 . 2]" 1
805 1 50 LEU HB2 1 52 CYS HB2 . . 4.600 2.905 2.473 3.994 . 0 0 "[ . 1 . 2]" 1
806 1 52 CYS H 1 52 CYS HB2 . . 3.610 2.619 2.350 3.443 . 0 0 "[ . 1 . 2]" 1
807 1 52 CYS HB3 1 54 SER H . . 5.130 3.717 3.439 4.385 . 0 0 "[ . 1 . 2]" 1
808 1 43 MET H 1 43 MET HG3 . . 3.750 3.171 2.576 3.601 . 0 0 "[ . 1 . 2]" 1
809 1 31 ARG HG3 1 43 MET HG3 . . 5.500 3.397 2.945 4.116 . 0 0 "[ . 1 . 2]" 1
810 1 33 GLU HB2 1 43 MET HG3 . . 5.500 4.306 3.738 4.856 . 0 0 "[ . 1 . 2]" 1
811 1 43 MET HG2 1 44 CYS H . . 5.290 5.032 4.760 5.237 . 0 0 "[ . 1 . 2]" 1
812 1 64 MET HA 1 64 MET HG2 . . 4.100 3.154 2.251 3.636 . 0 0 "[ . 1 . 2]" 1
813 1 12 GLU HB3 1 24 VAL HB . . 3.200 2.056 2.000 2.141 . 0 0 "[ . 1 . 2]" 1
814 1 15 ARG H 1 15 ARG HB2 . . 3.930 2.843 2.238 3.849 . 0 0 "[ . 1 . 2]" 1
815 1 43 MET HG3 1 44 CYS H . . 4.940 4.364 4.114 4.621 . 0 0 "[ . 1 . 2]" 1
816 1 33 GLU HB2 1 43 MET HG2 . . 3.950 2.733 2.027 3.432 . 0 0 "[ . 1 . 2]" 1
817 1 12 GLU HB2 1 13 PHE H . . 4.630 4.052 3.863 4.239 . 0 0 "[ . 1 . 2]" 1
818 1 11 LEU HA 1 12 GLU HB2 . . 5.030 4.363 4.113 4.549 . 0 0 "[ . 1 . 2]" 1
819 1 11 LEU MD1 1 12 GLU HB2 . . 5.150 4.438 4.038 4.904 . 0 0 "[ . 1 . 2]" 1
820 1 12 GLU HB2 1 24 VAL MG1 . . 5.500 3.937 3.398 4.321 . 0 0 "[ . 1 . 2]" 1
821 1 45 ARG H 1 45 ARG HB2 . . 3.830 3.524 3.506 3.547 . 0 0 "[ . 1 . 2]" 1
822 1 29 LEU HB3 1 45 ARG HB2 . . 4.720 4.553 4.309 4.709 . 0 0 "[ . 1 . 2]" 1
823 1 45 ARG HB2 1 46 ASP H . . 4.530 4.165 3.843 4.271 . 0 0 "[ . 1 . 2]" 1
824 1 22 PHE QE 1 45 ARG HB3 . . 4.980 2.837 2.351 3.836 . 0 0 "[ . 1 . 2]" 1
825 1 29 LEU HB3 1 45 ARG HB3 . . 4.470 3.237 2.931 3.388 . 0 0 "[ . 1 . 2]" 1
826 1 27 SER HB3 1 73 PRO HB2 . . 3.800 2.479 2.068 3.599 . 0 0 "[ . 1 . 2]" 1
827 1 27 SER HB2 1 73 PRO HB2 . . 3.800 2.481 2.035 3.666 . 0 0 "[ . 1 . 2]" 1
828 1 73 PRO HB2 1 75 LEU MD2 . . 3.470 2.735 2.374 3.366 . 0 0 "[ . 1 . 2]" 1
829 1 27 SER HB3 1 73 PRO HB3 . . 4.040 3.122 2.126 4.000 . 0 0 "[ . 1 . 2]" 1
830 1 28 PHE HA 1 73 PRO HB3 . . 4.810 4.039 3.836 4.233 . 0 0 "[ . 1 . 2]" 1
831 1 61 HIS HB3 1 62 ARG HA . . 5.110 4.362 4.205 4.464 . 0 0 "[ . 1 . 2]" 1
832 1 8 LEU MD1 1 61 HIS HB3 . . 4.830 2.567 1.790 4.134 . 0 0 "[ . 1 . 2]" 1
833 1 8 LEU HG 1 61 HIS HB2 . . 4.830 4.519 3.120 4.831 0.001 19 0 "[ . 1 . 2]" 1
834 1 8 LEU MD1 1 61 HIS HB2 . . 4.910 3.465 2.321 4.874 . 0 0 "[ . 1 . 2]" 1
835 1 65 VAL HA 1 66 MET HB2 . . 4.900 4.729 4.426 4.881 . 0 0 "[ . 1 . 2]" 1
836 1 64 MET HA 1 65 VAL HA . . 5.180 4.390 4.363 4.411 . 0 0 "[ . 1 . 2]" 1
837 1 65 VAL HA 1 66 MET HA . . 5.500 4.380 4.368 4.404 . 0 0 "[ . 1 . 2]" 1
838 1 65 VAL HA 1 66 MET HG2 . . 5.310 4.014 3.338 4.830 . 0 0 "[ . 1 . 2]" 1
839 1 28 PHE QE 1 73 PRO HA . . 4.930 2.221 2.001 3.686 . 0 0 "[ . 1 . 2]" 1
840 1 28 PHE QD 1 73 PRO HA . . 4.360 3.000 2.730 4.029 . 0 0 "[ . 1 . 2]" 1
841 1 73 PRO HA 1 74 ASP HB2 . . 4.730 4.054 3.972 4.230 . 0 0 "[ . 1 . 2]" 1
842 1 11 LEU H 1 61 HIS HB3 . . 5.140 5.041 3.868 5.136 . 0 0 "[ . 1 . 2]" 1
843 1 10 PRO HB3 1 61 HIS HB3 . . 5.010 4.890 4.182 5.011 0.001 19 0 "[ . 1 . 2]" 1
844 1 8 LEU HG 1 61 HIS HB3 . . 4.540 3.238 2.502 3.708 . 0 0 "[ . 1 . 2]" 1
845 1 84 ARG HB3 1 84 ARG QD . . 3.840 2.571 2.044 3.563 . 0 0 "[ . 1 . 2]" 1
846 1 14 LEU MD1 1 82 ARG HB3 . . 5.000 4.563 4.083 4.999 . 0 0 "[ . 1 . 2]" 1
847 1 82 ARG HB3 1 82 ARG QD . . 3.570 2.784 2.178 3.460 . 0 0 "[ . 1 . 2]" 1
848 1 9 ARG H 1 9 ARG HB3 . . 3.840 3.394 2.149 3.723 . 0 0 "[ . 1 . 2]" 1
849 1 14 LEU MD1 1 82 ARG HB2 . . 5.000 4.526 4.189 4.763 . 0 0 "[ . 1 . 2]" 1
850 1 56 ALA HA 1 65 VAL HA . . 3.260 2.498 2.297 2.711 . 0 0 "[ . 1 . 2]" 1
851 1 65 VAL HA 1 65 VAL MG1 . . 3.300 2.333 2.249 2.515 . 0 0 "[ . 1 . 2]" 1
852 1 65 VAL HA 1 65 VAL MG2 . . 3.600 2.334 2.125 2.566 . 0 0 "[ . 1 . 2]" 1
853 1 17 SER QB 1 18 LEU HG . . 4.340 3.733 2.284 4.333 . 0 0 "[ . 1 . 2]" 1
854 1 84 ARG H 1 84 ARG HB2 . . 3.860 3.064 2.372 3.649 . 0 0 "[ . 1 . 2]" 1
855 1 84 ARG H 1 84 ARG HB3 . . 3.860 3.098 2.281 3.630 . 0 0 "[ . 1 . 2]" 1
856 1 59 GLN H 1 59 GLN HB2 . . 4.030 2.978 2.549 3.764 . 0 0 "[ . 1 . 2]" 1
857 1 59 GLN H 1 59 GLN HB3 . . 4.030 3.263 2.971 3.951 . 0 0 "[ . 1 . 2]" 1
858 1 54 SER H 1 54 SER HB3 . . 3.680 2.705 2.338 3.566 . 0 0 "[ . 1 . 2]" 1
859 1 54 SER HB3 1 69 HIS HA . . 4.150 3.851 3.542 4.139 . 0 0 "[ . 1 . 2]" 1
860 1 44 CYS QB 1 54 SER HB3 . . 3.710 2.269 1.990 3.233 . 0 0 "[ . 1 . 2]" 1
861 1 54 SER HB2 1 55 ARG H . . 4.660 4.377 4.058 4.515 . 0 0 "[ . 1 . 2]" 1
862 1 54 SER HB2 1 69 HIS HA . . 3.890 2.606 2.271 3.200 . 0 0 "[ . 1 . 2]" 1
863 1 44 CYS QB 1 54 SER HB2 . . 3.990 3.584 2.575 3.906 . 0 0 "[ . 1 . 2]" 1
864 1 82 ARG HA 1 85 GLU HB2 . . 4.650 3.131 2.315 4.640 . 0 0 "[ . 1 . 2]" 1
865 1 85 GLU H 1 85 GLU HB3 . . 3.830 3.142 2.250 3.674 . 0 0 "[ . 1 . 2]" 1
866 1 85 GLU HB3 1 86 ARG H . . 4.430 3.096 2.478 4.185 . 0 0 "[ . 1 . 2]" 1
867 1 82 ARG HA 1 85 GLU HB3 . . 4.650 3.787 2.221 4.592 . 0 0 "[ . 1 . 2]" 1
868 1 14 LEU MD2 1 85 GLU HB3 . . 4.360 3.574 2.441 4.344 . 0 0 "[ . 1 . 2]" 1
869 1 9 ARG HB3 1 10 PRO HD3 . . 5.040 3.974 3.689 4.909 . 0 0 "[ . 1 . 2]" 1
870 1 9 ARG HB2 1 10 PRO HD2 . . 4.130 3.837 2.803 4.005 . 0 0 "[ . 1 . 2]" 1
871 1 9 ARG HB2 1 10 PRO HD3 . . 5.040 4.800 3.932 4.931 . 0 0 "[ . 1 . 2]" 1
872 1 53 ARG HB3 1 53 ARG QD . . 3.490 2.803 2.124 3.480 . 0 0 "[ . 1 . 2]" 1
873 1 35 ALA HA 1 40 VAL HA . . 3.210 2.171 1.999 2.507 . 0 0 "[ . 1 . 2]" 1
874 1 40 VAL HA 1 41 TYR HB2 . . 4.810 4.477 4.439 4.614 . 0 0 "[ . 1 . 2]" 1
875 1 10 PRO HA 1 61 HIS HB2 . . 4.790 4.310 3.527 4.560 . 0 0 "[ . 1 . 2]" 1
876 1 8 LEU HG 1 10 PRO HA . . 5.470 4.660 4.115 5.189 . 0 0 "[ . 1 . 2]" 1
877 1 54 SER HB2 1 69 HIS H . . 5.050 4.435 3.958 5.055 0.005 12 0 "[ . 1 . 2]" 1
878 1 40 VAL HA 1 41 TYR QE . . 4.960 4.892 4.653 4.960 0.000 15 0 "[ . 1 . 2]" 1
879 1 40 VAL HA 1 58 THR H . . 4.920 4.731 4.557 4.920 . 0 0 "[ . 1 . 2]" 1
880 1 10 PRO HA 1 11 LEU H . . 3.000 2.618 2.455 2.725 . 0 0 "[ . 1 . 2]" 1
881 1 10 PRO HA 1 61 HIS HB3 . . 4.160 3.128 2.027 3.390 . 0 0 "[ . 1 . 2]" 1
882 1 39 LYS HA 1 39 LYS HD2 . . 5.170 4.459 4.060 4.908 . 0 0 "[ . 1 . 2]" 1
883 1 39 LYS HA 1 39 LYS HD3 . . 5.170 4.638 4.436 4.929 . 0 0 "[ . 1 . 2]" 1
884 1 39 LYS HD3 1 57 ILE MG . . 3.970 3.472 2.851 3.949 . 0 0 "[ . 1 . 2]" 1
885 1 34 LYS HB2 1 34 LYS HD3 . . 4.170 3.294 2.089 3.860 . 0 0 "[ . 1 . 2]" 1
886 1 31 ARG H 1 44 CYS HA . . 4.410 4.056 3.845 4.244 . 0 0 "[ . 1 . 2]" 1
887 1 43 MET HA 1 44 CYS HA . . 4.870 4.331 4.311 4.351 . 0 0 "[ . 1 . 2]" 1
888 1 30 TYR HA 1 44 CYS HA . . 3.380 2.270 2.000 2.484 . 0 0 "[ . 1 . 2]" 1
889 1 43 MET HB2 1 44 CYS HA . . 5.190 5.104 4.939 5.179 . 0 0 "[ . 1 . 2]" 1
890 1 44 CYS HA 1 45 ARG HG2 . . 4.460 4.439 4.367 4.454 . 0 0 "[ . 1 . 2]" 1
891 1 44 CYS HA 1 45 ARG HB3 . . 4.500 4.335 4.316 4.361 . 0 0 "[ . 1 . 2]" 1
892 1 30 TYR HA 1 44 CYS QB . . 5.290 4.414 4.183 4.628 . 0 0 "[ . 1 . 2]" 1
893 1 44 CYS QB 1 55 ARG HA . . 5.500 4.602 4.113 4.962 . 0 0 "[ . 1 . 2]" 1
894 1 63 ILE HG12 1 64 MET HA . . 4.920 3.716 3.562 3.896 . 0 0 "[ . 1 . 2]" 1
895 1 23 LEU MD2 1 63 ILE HG12 . . 4.990 4.130 3.855 4.365 . 0 0 "[ . 1 . 2]" 1
896 1 44 CYS QB 1 47 GLN H . . 4.910 4.038 3.307 4.544 . 0 0 "[ . 1 . 2]" 1
897 1 30 TYR QD 1 44 CYS QB . . 4.800 3.697 3.480 3.887 . 0 0 "[ . 1 . 2]" 1
898 1 44 CYS QB 1 47 GLN HA . . 4.900 3.895 3.496 4.176 . 0 0 "[ . 1 . 2]" 1
899 1 44 CYS QB 1 53 ARG HA . . 5.500 4.447 4.039 4.924 . 0 0 "[ . 1 . 2]" 1
900 1 79 GLU HB3 1 80 ALA MB . . 4.840 4.725 4.579 4.837 . 0 0 "[ . 1 . 2]" 1
901 1 79 GLU HB3 1 80 ALA H . . 4.380 3.629 3.373 3.857 . 0 0 "[ . 1 . 2]" 1
902 1 14 LEU MD1 1 82 ARG HG3 . . 4.060 2.526 1.991 3.320 . 0 0 "[ . 1 . 2]" 1
903 1 82 ARG HG3 1 83 GLN H . . 5.500 4.416 3.553 5.000 . 0 0 "[ . 1 . 2]" 1
904 1 82 ARG H 1 82 ARG HG2 . . 4.280 3.630 2.426 4.163 . 0 0 "[ . 1 . 2]" 1
905 1 14 LEU MD1 1 82 ARG HG2 . . 4.060 2.789 2.064 3.809 . 0 0 "[ . 1 . 2]" 1
906 1 63 ILE HA 1 63 ILE HG13 . . 3.630 2.371 2.314 2.496 . 0 0 "[ . 1 . 2]" 1
907 1 58 THR MG 1 63 ILE HG13 . . 3.660 2.020 1.797 2.411 . 0 0 "[ . 1 . 2]" 1
908 1 23 LEU MD2 1 63 ILE HG13 . . 4.790 3.297 3.093 3.637 . 0 0 "[ . 1 . 2]" 1
909 1 63 ILE HA 1 63 ILE HG12 . . 4.040 3.063 2.794 3.402 . 0 0 "[ . 1 . 2]" 1
910 1 63 ILE HG12 1 65 VAL MG2 . . 4.260 3.456 2.974 4.043 . 0 0 "[ . 1 . 2]" 1
911 1 56 ALA MB 1 63 ILE HG12 . . 4.290 2.907 2.338 3.199 . 0 0 "[ . 1 . 2]" 1
912 1 63 ILE HG12 1 63 ILE MG . . 3.670 2.272 2.148 2.402 . 0 0 "[ . 1 . 2]" 1
913 1 54 SER HA 1 65 VAL MG1 . . 4.840 4.765 4.613 4.837 . 0 0 "[ . 1 . 2]" 1
914 1 47 GLN H 1 47 GLN HB3 . . 4.120 2.470 2.244 2.762 . 0 0 "[ . 1 . 2]" 1
915 1 27 SER HB3 1 75 LEU MD2 . . 3.440 2.237 1.866 3.226 . 0 0 "[ . 1 . 2]" 1
916 1 54 SER HA 1 54 SER HG . . 3.960 2.449 2.036 2.991 . 0 0 "[ . 1 . 2]" 1
917 1 54 SER HA 1 67 ARG QD . . 4.550 3.609 2.738 4.072 . 0 0 "[ . 1 . 2]" 1
918 1 54 SER HA 1 67 ARG HB2 . . 3.680 2.624 2.001 3.661 . 0 0 "[ . 1 . 2]" 1
919 1 54 SER HA 1 67 ARG HB3 . . 3.680 2.467 2.005 3.204 . 0 0 "[ . 1 . 2]" 1
920 1 27 SER HB2 1 73 PRO HB3 . . 4.040 2.354 2.006 3.944 . 0 0 "[ . 1 . 2]" 1
921 1 27 SER HB2 1 75 LEU MD2 . . 3.440 3.157 2.338 3.437 . 0 0 "[ . 1 . 2]" 1
922 1 27 SER HA 1 73 PRO HB2 . . 4.900 4.490 4.180 4.712 . 0 0 "[ . 1 . 2]" 1
923 1 27 SER HA 1 78 LEU MD2 . . 3.210 2.484 1.899 2.731 . 0 0 "[ . 1 . 2]" 1
924 1 47 GLN H 1 47 GLN HB2 . . 4.120 3.419 2.519 3.655 . 0 0 "[ . 1 . 2]" 1
925 1 83 GLN H 1 83 GLN HB2 . . 3.510 3.351 3.089 3.518 0.008 7 0 "[ . 1 . 2]" 1
926 1 83 GLN HB2 1 84 ARG H . . 4.960 4.150 3.893 4.395 . 0 0 "[ . 1 . 2]" 1
927 1 80 ALA HA 1 83 GLN HB3 . . 3.630 2.848 2.292 3.469 . 0 0 "[ . 1 . 2]" 1
928 1 55 ARG HA 1 55 ARG HG2 . . 4.160 2.967 2.282 3.687 . 0 0 "[ . 1 . 2]" 1
929 1 72 GLN HB2 1 73 PRO HD2 . . 3.800 3.042 1.983 3.716 . 0 0 "[ . 1 . 2]" 1
930 1 41 TYR QE 1 57 ILE HG13 . . 4.970 4.319 3.821 4.856 . 0 0 "[ . 1 . 2]" 1
931 1 57 ILE HA 1 57 ILE HG13 . . 3.870 2.765 2.647 2.932 . 0 0 "[ . 1 . 2]" 1
932 1 41 TYR HA 1 57 ILE HG13 . . 4.690 3.462 2.843 3.860 . 0 0 "[ . 1 . 2]" 1
933 1 57 ILE HG13 1 66 MET HG3 . . 4.360 3.518 2.691 3.987 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE HG13 1 66 MET HG2 . . 4.360 3.851 3.368 4.330 . 0 0 "[ . 1 . 2]" 1
935 1 57 ILE HG13 1 66 MET ME . . 4.740 3.097 2.342 3.541 . 0 0 "[ . 1 . 2]" 1
936 1 41 TYR QD 1 57 ILE HG13 . . 4.500 3.914 3.398 4.408 . 0 0 "[ . 1 . 2]" 1
937 1 41 TYR QE 1 57 ILE HG12 . . 4.670 3.529 2.909 3.972 . 0 0 "[ . 1 . 2]" 1
938 1 41 TYR HA 1 57 ILE HG12 . . 4.480 2.707 2.397 2.967 . 0 0 "[ . 1 . 2]" 1
939 1 62 ARG HG2 1 63 ILE H . . 4.740 4.063 3.489 4.552 . 0 0 "[ . 1 . 2]" 1
940 1 57 ILE HG12 1 58 THR H . . 5.020 4.175 3.918 4.328 . 0 0 "[ . 1 . 2]" 1
941 1 57 ILE H 1 57 ILE HG12 . . 4.600 4.280 3.945 4.502 . 0 0 "[ . 1 . 2]" 1
942 1 47 GLN HA 1 52 CYS HB3 . . 4.680 3.081 2.001 3.627 . 0 0 "[ . 1 . 2]" 1
943 1 22 PHE QE 1 31 ARG HG2 . . 4.740 2.154 1.990 2.938 . 0 0 "[ . 1 . 2]" 1
944 1 31 ARG HG2 1 43 MET HG3 . . 5.500 4.987 4.554 5.507 0.007 17 0 "[ . 1 . 2]" 1
945 1 31 ARG H 1 31 ARG HG3 . . 4.180 2.578 2.147 2.859 . 0 0 "[ . 1 . 2]" 1
946 1 15 ARG QG 1 21 ARG HA . . 4.990 3.983 2.912 4.988 . 0 0 "[ . 1 . 2]" 1
947 1 54 SER HA 1 67 ARG HG2 . . 5.500 4.466 2.461 5.278 . 0 0 "[ . 1 . 2]" 1
948 1 54 SER HA 1 67 ARG HG3 . . 5.500 4.262 2.003 5.056 . 0 0 "[ . 1 . 2]" 1
949 1 22 PHE QE 1 45 ARG HG2 . . 4.770 4.519 4.357 4.773 0.003 17 0 "[ . 1 . 2]" 1
950 1 45 ARG HA 1 45 ARG HG2 . . 3.840 3.810 3.715 3.846 0.006 14 0 "[ . 1 . 2]" 1
951 1 21 ARG QG 1 42 TRP HH2 . . 5.090 3.001 2.115 3.735 . 0 0 "[ . 1 . 2]" 1
952 1 15 ARG HA 1 21 ARG QG . . 4.810 3.615 2.809 4.809 . 0 0 "[ . 1 . 2]" 1
953 1 45 ARG HG3 1 46 ASP HA . . 5.360 3.252 3.062 3.455 . 0 0 "[ . 1 . 2]" 1
954 1 21 ARG HA 1 21 ARG QG . . 3.830 2.548 2.229 3.415 . 0 0 "[ . 1 . 2]" 1
955 1 29 LEU HG 1 45 ARG HD3 . . 4.940 4.424 4.214 4.784 . 0 0 "[ . 1 . 2]" 1
956 1 29 LEU H 1 29 LEU HG . . 4.080 3.434 3.210 3.619 . 0 0 "[ . 1 . 2]" 1
957 1 29 LEU HA 1 29 LEU HG . . 3.880 2.808 2.611 2.955 . 0 0 "[ . 1 . 2]" 1
958 1 78 LEU HG 1 79 GLU H . . 4.540 3.380 2.980 3.725 . 0 0 "[ . 1 . 2]" 1
959 1 78 LEU H 1 78 LEU HG . . 4.410 4.285 4.163 4.403 . 0 0 "[ . 1 . 2]" 1
960 1 78 LEU HA 1 78 LEU HG . . 4.080 3.163 2.998 3.325 . 0 0 "[ . 1 . 2]" 1
961 1 41 TYR HA 1 57 ILE HA . . 3.590 2.522 2.376 2.692 . 0 0 "[ . 1 . 2]" 1
962 1 57 ILE HA 1 57 ILE HG12 . . 3.580 2.535 2.441 2.642 . 0 0 "[ . 1 . 2]" 1
963 1 24 VAL HA 1 29 LEU HG . . 4.840 4.113 3.453 4.568 . 0 0 "[ . 1 . 2]" 1
964 1 30 TYR HA 1 45 ARG HA . . 4.800 4.051 3.925 4.149 . 0 0 "[ . 1 . 2]" 1
965 1 43 MET HG3 1 45 ARG HA . . 4.630 3.997 3.761 4.401 . 0 0 "[ . 1 . 2]" 1
966 1 45 ARG HA 1 45 ARG HG3 . . 3.770 3.616 3.573 3.678 . 0 0 "[ . 1 . 2]" 1
967 1 31 ARG H 1 45 ARG HA . . 4.540 4.183 3.897 4.454 . 0 0 "[ . 1 . 2]" 1
968 1 11 LEU HG 1 12 GLU H . . 3.380 2.530 2.036 2.721 . 0 0 "[ . 1 . 2]" 1
969 1 81 LEU HA 1 84 ARG HG2 . . 4.590 3.498 2.172 4.600 0.010 18 0 "[ . 1 . 2]" 1
970 1 81 LEU HG 1 82 ARG H . . 5.320 4.748 4.398 4.930 . 0 0 "[ . 1 . 2]" 1
971 1 67 ARG H 1 67 ARG HG2 . . 5.500 4.167 3.274 4.706 . 0 0 "[ . 1 . 2]" 1
972 1 67 ARG H 1 67 ARG HG3 . . 5.500 4.003 3.170 4.815 . 0 0 "[ . 1 . 2]" 1
973 1 45 ARG HG2 1 46 ASP H . . 5.020 2.558 2.054 2.907 . 0 0 "[ . 1 . 2]" 1
974 1 87 LEU H 1 87 LEU HG . . 5.500 3.983 2.283 5.097 . 0 0 "[ . 1 . 2]" 1
975 1 21 ARG QG 1 42 TRP HZ3 . . 4.530 3.812 2.732 4.534 0.004 15 0 "[ . 1 . 2]" 1
976 1 75 LEU HA 1 75 LEU HG . . 3.840 3.454 3.150 3.695 . 0 0 "[ . 1 . 2]" 1
977 1 22 PHE HZ 1 45 ARG HG3 . . 5.500 4.742 4.414 4.900 . 0 0 "[ . 1 . 2]" 1
978 1 21 ARG QG 1 42 TRP HZ2 . . 5.500 4.920 4.112 5.501 0.001 15 0 "[ . 1 . 2]" 1
979 1 14 LEU H 1 14 LEU HG . . 4.660 3.833 3.648 3.958 . 0 0 "[ . 1 . 2]" 1
980 1 14 LEU H 1 21 ARG QG . . 4.980 3.417 2.920 4.389 . 0 0 "[ . 1 . 2]" 1
981 1 82 ARG HA 1 84 ARG H . . 4.760 4.142 3.779 4.649 . 0 0 "[ . 1 . 2]" 1
982 1 82 ARG HA 1 82 ARG QD . . 4.310 4.024 3.256 4.290 . 0 0 "[ . 1 . 2]" 1
983 1 82 ARG HA 1 85 GLU HG2 . . 5.500 3.922 2.188 5.275 . 0 0 "[ . 1 . 2]" 1
984 1 82 ARG HA 1 85 GLU HG3 . . 5.500 3.938 2.163 5.412 . 0 0 "[ . 1 . 2]" 1
985 1 82 ARG HA 1 82 ARG HG3 . . 3.530 2.855 2.261 3.532 0.002 18 0 "[ . 1 . 2]" 1
986 1 82 ARG HA 1 82 ARG HG2 . . 3.530 2.775 2.484 3.519 . 0 0 "[ . 1 . 2]" 1
987 1 26 GLU HB2 1 28 PHE QD . . 4.580 2.926 2.670 3.932 . 0 0 "[ . 1 . 2]" 1
988 1 26 GLU HB3 1 28 PHE QD . . 4.580 2.688 2.414 3.410 . 0 0 "[ . 1 . 2]" 1
989 1 9 ARG H 1 9 ARG QG . . 4.330 3.009 2.348 3.980 . 0 0 "[ . 1 . 2]" 1
990 1 9 ARG HA 1 9 ARG QG . . 3.330 2.389 2.026 2.918 . 0 0 "[ . 1 . 2]" 1
991 1 50 LEU H 1 50 LEU HG . . 4.510 2.584 2.208 3.203 . 0 0 "[ . 1 . 2]" 1
992 1 46 ASP HB3 1 50 LEU HG . . 4.320 2.213 2.004 2.479 . 0 0 "[ . 1 . 2]" 1
993 1 14 LEU H 1 14 LEU MD1 . . 4.450 4.222 3.974 4.423 . 0 0 "[ . 1 . 2]" 1
994 1 14 LEU MD1 1 82 ARG H . . 4.600 3.728 3.225 4.264 . 0 0 "[ . 1 . 2]" 1
995 1 14 LEU HA 1 14 LEU MD1 . . 4.210 3.810 3.757 3.827 . 0 0 "[ . 1 . 2]" 1
996 1 14 LEU MD1 1 82 ARG HA . . 4.140 3.743 3.255 4.076 . 0 0 "[ . 1 . 2]" 1
997 1 58 THR HA 1 63 ILE HG13 . . 4.970 3.248 2.962 3.616 . 0 0 "[ . 1 . 2]" 1
998 1 49 ARG HA 1 49 ARG HG3 . . 3.940 3.082 2.412 3.727 . 0 0 "[ . 1 . 2]" 1
999 1 78 LEU HG 1 79 GLU HA . . 4.320 3.302 3.033 3.606 . 0 0 "[ . 1 . 2]" 1
1000 1 49 ARG HA 1 49 ARG HG2 . . 3.940 3.089 2.255 3.941 0.001 13 0 "[ . 1 . 2]" 1
1001 1 26 GLU HB3 1 27 SER H . . 4.990 4.336 4.281 4.367 . 0 0 "[ . 1 . 2]" 1
1002 1 23 LEU HG 1 30 TYR HB2 . . 5.020 3.673 3.116 3.882 . 0 0 "[ . 1 . 2]" 1
1003 1 23 LEU HG 1 25 HIS HB2 . . 4.510 3.143 2.953 3.465 . 0 0 "[ . 1 . 2]" 1
1004 1 23 LEU HG 1 30 TYR H . . 4.870 4.160 3.894 4.368 . 0 0 "[ . 1 . 2]" 1
1005 1 58 THR HA 1 63 ILE HA . . 3.370 2.039 1.999 2.221 . 0 0 "[ . 1 . 2]" 1
1006 1 58 THR HA 1 63 ILE HB . . 4.680 3.996 3.757 4.255 . 0 0 "[ . 1 . 2]" 1
1007 1 40 VAL HB 1 58 THR HA . . 5.500 5.250 4.864 5.440 . 0 0 "[ . 1 . 2]" 1
1008 1 58 THR HA 1 59 GLN QG . . 5.500 5.010 3.109 5.501 0.001 6 0 "[ . 1 . 2]" 1
1009 1 58 THR HA 1 62 ARG QB . . 5.440 4.702 4.233 5.002 . 0 0 "[ . 1 . 2]" 1
1010 1 79 GLU HA 1 82 ARG H . . 4.010 3.451 3.114 3.982 . 0 0 "[ . 1 . 2]" 1
1011 1 79 GLU HA 1 79 GLU QG . . 3.620 2.341 2.157 2.721 . 0 0 "[ . 1 . 2]" 1
1012 1 49 ARG HA 1 50 LEU MD2 . . 5.270 4.654 3.951 5.054 . 0 0 "[ . 1 . 2]" 1
1013 1 78 LEU MD1 1 79 GLU HA . . 5.500 4.565 4.111 4.967 . 0 0 "[ . 1 . 2]" 1
1014 1 78 LEU MD2 1 79 GLU HA . . 5.500 4.230 3.881 4.412 . 0 0 "[ . 1 . 2]" 1
1015 1 72 GLN HA 1 73 PRO HG2 . . 4.700 4.487 4.444 4.534 . 0 0 "[ . 1 . 2]" 1
1016 1 72 GLN HA 1 73 PRO HG3 . . 4.700 4.462 4.433 4.500 . 0 0 "[ . 1 . 2]" 1
1017 1 13 PHE QE 1 23 LEU HG . . 5.500 4.996 4.685 5.444 . 0 0 "[ . 1 . 2]" 1
1018 1 23 LEU HG 1 42 TRP HE3 . . 5.500 5.281 4.960 5.443 . 0 0 "[ . 1 . 2]" 1
1019 1 24 VAL MG1 1 28 PHE HA . . 5.500 5.017 4.511 5.218 . 0 0 "[ . 1 . 2]" 1
1020 1 28 PHE HA 1 29 LEU MD2 . . 5.500 4.981 4.724 5.305 . 0 0 "[ . 1 . 2]" 1
1021 1 32 LYS HA 1 33 GLU HB3 . . 4.800 4.625 4.526 4.768 . 0 0 "[ . 1 . 2]" 1
1022 1 32 LYS HA 1 33 GLU HB2 . . 4.720 4.599 4.483 4.708 . 0 0 "[ . 1 . 2]" 1
1023 1 32 LYS HA 1 43 MET H . . 4.400 4.275 4.010 4.400 . 16 0 "[ . 1 . 2]" 1
1024 1 32 LYS HA 1 33 GLU H . . 2.930 2.148 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
1025 1 31 ARG HA 1 32 LYS HA . . 4.850 4.338 4.320 4.383 . 0 0 "[ . 1 . 2]" 1
1026 1 32 LYS HA 1 33 GLU HA . . 4.760 4.404 4.386 4.416 . 0 0 "[ . 1 . 2]" 1
1027 1 32 LYS HA 1 42 TRP HB2 . . 5.500 4.961 4.788 5.198 . 0 0 "[ . 1 . 2]" 1
1028 1 32 LYS HA 1 43 MET HG2 . . 5.500 4.997 4.713 5.209 . 0 0 "[ . 1 . 2]" 1
1029 1 32 LYS HA 1 32 LYS QD . . 4.490 4.111 4.034 4.146 . 0 0 "[ . 1 . 2]" 1
1030 1 32 LYS HA 1 32 LYS HG2 . . 3.850 3.019 2.883 3.124 . 0 0 "[ . 1 . 2]" 1
1031 1 32 LYS HA 1 32 LYS HG3 . . 3.510 2.780 2.618 2.915 . 0 0 "[ . 1 . 2]" 1
1032 1 11 LEU HA 1 11 LEU MD2 . . 4.580 3.817 3.750 3.897 . 0 0 "[ . 1 . 2]" 1
1033 1 11 LEU MD2 1 23 LEU MD1 . . 3.550 1.905 1.732 2.079 . 0 0 "[ . 1 . 2]" 1
1034 1 11 LEU MD2 1 23 LEU MD2 . . 4.280 3.089 2.781 3.383 . 0 0 "[ . 1 . 2]" 1
1035 1 23 LEU H 1 29 LEU MD2 . . 4.890 3.276 2.922 3.546 . 0 0 "[ . 1 . 2]" 1
1036 1 29 LEU H 1 29 LEU MD2 . . 4.740 4.252 4.102 4.460 . 0 0 "[ . 1 . 2]" 1
1037 1 29 LEU HA 1 29 LEU MD2 . . 3.260 2.238 1.994 2.540 . 0 0 "[ . 1 . 2]" 1
1038 1 24 VAL HA 1 29 LEU MD2 . . 3.790 2.842 2.604 3.109 . 0 0 "[ . 1 . 2]" 1
1039 1 29 LEU MD2 1 78 LEU HA . . 4.510 4.187 3.748 4.507 . 0 0 "[ . 1 . 2]" 1
1040 1 29 LEU MD2 1 45 ARG HD3 . . 4.410 3.566 3.126 3.918 . 0 0 "[ . 1 . 2]" 1
1041 1 24 VAL HB 1 29 LEU MD2 . . 4.600 4.473 4.251 4.593 . 0 0 "[ . 1 . 2]" 1
1042 1 28 PHE HA 1 28 PHE QD . . 3.830 2.145 2.038 2.925 . 0 0 "[ . 1 . 2]" 1
1043 1 28 PHE HA 1 73 PRO HB2 . . 5.160 4.962 4.833 5.128 . 0 0 "[ . 1 . 2]" 1
1044 1 54 SER HG 1 68 SER HA . . 4.590 3.614 2.998 4.541 . 0 0 "[ . 1 . 2]" 1
1045 1 32 LYS HA 1 40 VAL MG1 . . 4.330 3.369 3.203 3.601 . 0 0 "[ . 1 . 2]" 1
1046 1 39 LYS HG3 1 57 ILE MG . . 4.450 4.109 3.641 4.447 . 0 0 "[ . 1 . 2]" 1
1047 1 39 LYS HG3 1 40 VAL H . . 4.830 4.713 4.457 4.829 . 0 0 "[ . 1 . 2]" 1
1048 1 39 LYS HA 1 39 LYS HG3 . . 3.990 2.887 2.570 3.130 . 0 0 "[ . 1 . 2]" 1
1049 1 39 LYS HA 1 39 LYS HG2 . . 3.990 2.530 2.274 2.891 . 0 0 "[ . 1 . 2]" 1
1050 1 22 PHE QD 1 81 LEU MD1 . . 4.260 3.531 2.886 4.133 . 0 0 "[ . 1 . 2]" 1
1051 1 25 HIS H 1 29 LEU MD2 . . 4.920 4.381 4.094 4.629 . 0 0 "[ . 1 . 2]" 1
1052 1 29 LEU MD1 1 30 TYR H . . 5.280 4.984 4.734 5.140 . 0 0 "[ . 1 . 2]" 1
1053 1 29 LEU MD1 1 81 LEU H . . 5.500 5.090 4.593 5.455 . 0 0 "[ . 1 . 2]" 1
1054 1 22 PHE HB3 1 29 LEU MD1 . . 4.540 4.197 3.816 4.445 . 0 0 "[ . 1 . 2]" 1
1055 1 68 SER HA 1 69 HIS HE2 . . 5.500 4.817 4.575 5.030 . 0 0 "[ . 1 . 2]" 1
1056 1 28 PHE HA 1 29 LEU HG . . 4.220 3.819 3.613 3.999 . 0 0 "[ . 1 . 2]" 1
1057 1 65 VAL MG1 1 68 SER HA . . 3.760 3.463 3.274 3.698 . 0 0 "[ . 1 . 2]" 1
1058 1 78 LEU MD2 1 82 ARG QD . . 4.710 3.245 2.585 4.135 . 0 0 "[ . 1 . 2]" 1
1059 1 78 LEU MD2 1 82 ARG HE . . 5.100 4.351 2.655 5.093 . 0 0 "[ . 1 . 2]" 1
1060 1 78 LEU HB3 1 78 LEU MD2 . . 3.140 2.168 2.042 2.280 . 0 0 "[ . 1 . 2]" 1
1061 1 78 LEU H 1 78 LEU MD2 . . 4.650 4.089 4.013 4.175 . 0 0 "[ . 1 . 2]" 1
1062 1 81 LEU HA 1 81 LEU MD1 . . 4.100 3.823 3.780 3.896 . 0 0 "[ . 1 . 2]" 1
1063 1 22 PHE QD 1 29 LEU MD1 . . 4.600 3.681 2.176 4.282 . 0 0 "[ . 1 . 2]" 1
1064 1 29 LEU HA 1 29 LEU MD1 . . 4.320 3.862 3.838 3.897 . 0 0 "[ . 1 . 2]" 1
1065 1 28 PHE HA 1 29 LEU MD1 . . 4.870 4.648 4.322 4.869 . 0 0 "[ . 1 . 2]" 1
1066 1 29 LEU MD1 1 45 ARG HD3 . . 3.640 2.494 2.099 2.890 . 0 0 "[ . 1 . 2]" 1
1067 1 29 LEU MD1 1 78 LEU HB3 . . 4.970 4.807 4.503 4.959 . 0 0 "[ . 1 . 2]" 1
1068 1 29 LEU HB2 1 29 LEU MD1 . . 3.160 2.206 1.996 2.340 . 0 0 "[ . 1 . 2]" 1
1069 1 29 LEU HB3 1 29 LEU MD1 . . 3.510 2.499 2.321 2.653 . 0 0 "[ . 1 . 2]" 1
1070 1 78 LEU HA 1 78 LEU MD1 . . 3.010 2.446 2.329 2.636 . 0 0 "[ . 1 . 2]" 1
1071 1 78 LEU HA 1 81 LEU MD1 . . 3.330 2.853 2.401 3.328 . 0 0 "[ . 1 . 2]" 1
1072 1 29 LEU MD1 1 78 LEU HA . . 3.790 2.908 2.594 3.135 . 0 0 "[ . 1 . 2]" 1
1073 1 78 LEU HA 1 82 ARG H . . 5.070 4.681 4.409 5.006 . 0 0 "[ . 1 . 2]" 1
1074 1 74 ASP H 1 75 LEU HA . . 5.300 4.503 4.316 4.818 . 0 0 "[ . 1 . 2]" 1
1075 1 75 LEU HA 1 77 GLY H . . 5.500 4.587 4.116 5.068 . 0 0 "[ . 1 . 2]" 1
1076 1 75 LEU HA 1 78 LEU H . . 4.080 3.571 3.361 4.000 . 0 0 "[ . 1 . 2]" 1
1077 1 75 LEU HA 1 78 LEU HB3 . . 3.390 2.593 2.257 3.328 . 0 0 "[ . 1 . 2]" 1
1078 1 73 PRO HB2 1 75 LEU HA . . 5.350 4.857 4.452 5.204 . 0 0 "[ . 1 . 2]" 1
1079 1 87 LEU HA 1 87 LEU MD1 . . 4.690 3.094 1.953 4.103 . 0 0 "[ . 1 . 2]" 1
1080 1 32 LYS HG2 1 33 GLU HA . . 4.870 4.164 3.971 4.404 . 0 0 "[ . 1 . 2]" 1
1081 1 18 LEU HA 1 18 LEU MD2 . . 4.410 2.759 1.981 3.664 . 0 0 "[ . 1 . 2]" 1
1082 1 8 LEU MD2 1 62 ARG H . . 5.500 4.978 4.076 5.494 . 0 0 "[ . 1 . 2]" 1
1083 1 14 LEU MD2 1 85 GLU H . . 5.500 4.332 3.727 4.897 . 0 0 "[ . 1 . 2]" 1
1084 1 8 LEU HA 1 8 LEU MD2 . . 4.130 3.778 3.452 4.127 . 0 0 "[ . 1 . 2]" 1
1085 1 8 LEU MD2 1 62 ARG QD . . 4.930 4.264 2.806 4.931 0.001 9 0 "[ . 1 . 2]" 1
1086 1 8 LEU MD2 1 61 HIS HB2 . . 4.910 3.494 2.039 4.218 . 0 0 "[ . 1 . 2]" 1
1087 1 81 LEU HA 1 81 LEU HG . . 3.630 2.619 2.472 2.923 . 0 0 "[ . 1 . 2]" 1
1088 1 81 LEU HA 1 84 ARG HG3 . . 4.590 3.172 2.015 4.489 . 0 0 "[ . 1 . 2]" 1
1089 1 83 GLN HA 1 85 GLU H . . 5.210 4.037 3.623 4.991 . 0 0 "[ . 1 . 2]" 1
1090 1 81 LEU HA 1 84 ARG QD . . 4.120 3.143 1.977 4.086 . 0 0 "[ . 1 . 2]" 1
1091 1 26 GLU HA 1 26 GLU HG2 . . 3.880 2.519 2.163 2.709 . 0 0 "[ . 1 . 2]" 1
1092 1 14 LEU MD2 1 15 ARG H . . 4.250 2.824 2.404 3.478 . 0 0 "[ . 1 . 2]" 1
1093 1 14 LEU MD2 1 22 PHE QD . . 5.020 4.877 4.540 5.020 0.000 5 0 "[ . 1 . 2]" 1
1094 1 8 LEU MD2 1 9 ARG H . . 5.130 4.694 3.608 5.129 . 0 0 "[ . 1 . 2]" 1
1095 1 14 LEU MD2 1 82 ARG H . . 5.420 3.443 2.671 4.151 . 0 0 "[ . 1 . 2]" 1
1096 1 8 LEU MD2 1 61 HIS HB3 . . 4.830 3.005 2.262 3.396 . 0 0 "[ . 1 . 2]" 1
1097 1 14 LEU MD2 1 82 ARG HE . . 4.910 4.272 3.438 4.900 . 0 0 "[ . 1 . 2]" 1
1098 1 75 LEU HB2 1 75 LEU MD1 . . 3.130 2.493 2.233 2.670 . 0 0 "[ . 1 . 2]" 1
1099 1 46 ASP HA 1 50 LEU MD1 . . 5.150 4.300 3.898 4.801 . 0 0 "[ . 1 . 2]" 1
1100 1 50 LEU HA 1 50 LEU MD1 . . 4.510 3.877 3.770 3.995 . 0 0 "[ . 1 . 2]" 1
1101 1 50 LEU MD1 1 71 HIS HB2 . . 3.910 2.517 2.156 3.138 . 0 0 "[ . 1 . 2]" 1
1102 1 50 LEU MD1 1 71 HIS HB3 . . 3.910 2.615 2.180 3.001 . 0 0 "[ . 1 . 2]" 1
1103 1 50 LEU MD1 1 52 CYS HB2 . . 4.800 3.886 3.481 4.735 . 0 0 "[ . 1 . 2]" 1
1104 1 46 ASP HB3 1 50 LEU MD1 . . 4.000 2.350 1.976 2.825 . 0 0 "[ . 1 . 2]" 1
1105 1 50 LEU HB2 1 50 LEU MD1 . . 3.560 2.285 2.105 2.451 . 0 0 "[ . 1 . 2]" 1
1106 1 40 VAL H 1 41 TYR HA . . 5.350 4.670 4.596 4.844 . 0 0 "[ . 1 . 2]" 1
1107 1 41 TYR HA 1 56 ALA H . . 5.500 4.579 4.234 5.201 . 0 0 "[ . 1 . 2]" 1
1108 1 14 LEU HA 1 14 LEU MD2 . . 3.290 2.347 2.009 2.549 . 0 0 "[ . 1 . 2]" 1
1109 1 14 LEU MD2 1 82 ARG HA . . 3.450 2.124 1.859 2.734 . 0 0 "[ . 1 . 2]" 1
1110 1 14 LEU MD2 1 82 ARG QD . . 4.830 3.541 2.540 4.122 . 0 0 "[ . 1 . 2]" 1
1111 1 14 LEU MD2 1 85 GLU HB2 . . 4.360 3.253 2.540 3.923 . 0 0 "[ . 1 . 2]" 1
1112 1 32 LYS HG3 1 40 VAL HA . . 5.060 4.563 4.200 4.920 . 0 0 "[ . 1 . 2]" 1
1113 1 23 LEU MD2 1 63 ILE HB . . 4.950 4.376 4.114 4.648 . 0 0 "[ . 1 . 2]" 1
1114 1 23 LEU MD2 1 30 TYR H . . 4.660 4.028 3.788 4.276 . 0 0 "[ . 1 . 2]" 1
1115 1 23 LEU MD2 1 25 HIS H . . 5.500 4.798 4.540 5.107 . 0 0 "[ . 1 . 2]" 1
1116 1 23 LEU MD2 1 56 ALA H . . 5.500 5.018 4.486 5.465 . 0 0 "[ . 1 . 2]" 1
1117 1 23 LEU MD2 1 57 ILE H . . 5.500 5.378 5.063 5.499 . 0 0 "[ . 1 . 2]" 1
1118 1 13 PHE QE 1 23 LEU MD2 . . 4.850 4.006 3.396 4.574 . 0 0 "[ . 1 . 2]" 1
1119 1 13 PHE QD 1 23 LEU MD2 . . 5.190 4.603 4.212 5.114 . 0 0 "[ . 1 . 2]" 1
1120 1 23 LEU MD2 1 42 TRP HH2 . . 5.500 4.963 4.775 5.103 . 0 0 "[ . 1 . 2]" 1
1121 1 23 LEU HA 1 23 LEU MD2 . . 4.240 3.995 3.975 4.018 . 0 0 "[ . 1 . 2]" 1
1122 1 23 LEU MD2 1 42 TRP HB3 . . 4.350 2.505 2.248 2.745 . 0 0 "[ . 1 . 2]" 1
1123 1 23 LEU MD2 1 30 TYR HB3 . . 4.230 3.310 3.016 3.498 . 0 0 "[ . 1 . 2]" 1
1124 1 23 LEU MD2 1 30 TYR HB2 . . 3.670 2.166 1.978 2.394 . 0 0 "[ . 1 . 2]" 1
1125 1 23 LEU MD2 1 42 TRP HB2 . . 4.040 2.701 2.514 2.990 . 0 0 "[ . 1 . 2]" 1
1126 1 23 LEU HB3 1 23 LEU MD2 . . 3.050 2.077 2.011 2.168 . 0 0 "[ . 1 . 2]" 1
1127 1 23 LEU HB2 1 23 LEU MD2 . . 3.430 2.583 2.525 2.651 . 0 0 "[ . 1 . 2]" 1
1128 1 87 LEU HA 1 87 LEU MD2 . . 4.690 3.200 1.909 4.090 . 0 0 "[ . 1 . 2]" 1
1129 1 32 LYS HG2 1 34 LYS HA . . 4.870 3.850 3.691 3.972 . 0 0 "[ . 1 . 2]" 1
1130 1 23 LEU MD2 1 30 TYR HA . . 5.500 4.792 4.598 4.990 . 0 0 "[ . 1 . 2]" 1
1131 1 23 LEU MD2 1 42 TRP HA . . 5.500 4.419 4.210 4.640 . 0 0 "[ . 1 . 2]" 1
1132 1 78 LEU MD1 1 82 ARG H . . 5.010 4.519 4.173 4.995 . 0 0 "[ . 1 . 2]" 1
1133 1 78 LEU H 1 78 LEU MD1 . . 4.420 4.279 4.163 4.327 . 0 0 "[ . 1 . 2]" 1
1134 1 27 SER H 1 78 LEU MD1 . . 5.500 5.272 4.710 5.457 . 0 0 "[ . 1 . 2]" 1
1135 1 78 LEU MD1 1 82 ARG HE . . 5.500 4.161 1.986 5.460 . 0 0 "[ . 1 . 2]" 1
1136 1 27 SER HA 1 78 LEU MD1 . . 4.270 4.048 3.546 4.223 . 0 0 "[ . 1 . 2]" 1
1137 1 78 LEU MD1 1 82 ARG QD . . 4.330 2.765 2.021 4.142 . 0 0 "[ . 1 . 2]" 1
1138 1 78 LEU HB3 1 78 LEU MD1 . . 3.580 3.155 3.131 3.181 . 0 0 "[ . 1 . 2]" 1
1139 1 30 TYR HA 1 31 ARG HB2 . . 5.030 4.934 4.684 5.029 . 0 0 "[ . 1 . 2]" 1
1140 1 30 TYR HA 1 30 TYR QD . . 4.020 3.260 3.249 3.268 . 0 0 "[ . 1 . 2]" 1
1141 1 30 TYR HA 1 45 ARG HB3 . . 4.350 3.248 3.063 3.390 . 0 0 "[ . 1 . 2]" 1
1142 1 23 LEU HB3 1 30 TYR HA . . 4.740 4.649 4.465 4.738 . 0 0 "[ . 1 . 2]" 1
1143 1 32 LYS HA 1 42 TRP HA . . 3.260 2.652 2.481 2.867 . 0 0 "[ . 1 . 2]" 1
1144 1 42 TRP HA 1 43 MET HB3 . . 4.860 4.440 4.310 4.752 . 0 0 "[ . 1 . 2]" 1
1145 1 33 GLU HB2 1 42 TRP HA . . 4.390 3.597 3.321 3.793 . 0 0 "[ . 1 . 2]" 1
1146 1 32 LYS HG2 1 42 TRP HA . . 5.500 5.269 5.013 5.443 . 0 0 "[ . 1 . 2]" 1
1147 1 42 TRP HA 1 56 ALA MB . . 5.500 5.216 4.962 5.439 . 0 0 "[ . 1 . 2]" 1
1148 1 30 TYR HB2 1 42 TRP HA . . 4.990 4.713 4.252 4.949 . 0 0 "[ . 1 . 2]" 1
1149 1 66 MET HA 1 66 MET HG2 . . 4.240 2.770 2.277 3.342 . 0 0 "[ . 1 . 2]" 1
1150 1 34 LYS HG2 1 41 TYR HB2 . . 4.040 2.512 1.997 3.725 . 0 0 "[ . 1 . 2]" 1
1151 1 34 LYS HG3 1 41 TYR HB3 . . 4.530 3.634 2.904 4.470 . 0 0 "[ . 1 . 2]" 1
1152 1 34 LYS HG3 1 41 TYR HB2 . . 4.040 2.274 2.002 3.042 . 0 0 "[ . 1 . 2]" 1
1153 1 8 LEU MD1 1 9 ARG H . . 5.130 3.466 2.398 4.794 . 0 0 "[ . 1 . 2]" 1
1154 1 81 LEU H 1 81 LEU MD2 . . 4.720 4.037 3.647 4.317 . 0 0 "[ . 1 . 2]" 1
1155 1 87 LEU H 1 87 LEU MD2 . . 5.030 3.808 1.879 4.552 . 0 0 "[ . 1 . 2]" 1
1156 1 22 PHE QD 1 81 LEU MD2 . . 4.400 3.723 3.023 4.326 . 0 0 "[ . 1 . 2]" 1
1157 1 8 LEU HA 1 8 LEU MD1 . . 4.130 2.888 2.053 4.102 . 0 0 "[ . 1 . 2]" 1
1158 1 81 LEU HA 1 81 LEU MD2 . . 2.970 2.349 2.060 2.521 . 0 0 "[ . 1 . 2]" 1
1159 1 81 LEU HB2 1 81 LEU MD2 . . 3.650 3.159 3.131 3.198 . 0 0 "[ . 1 . 2]" 1
1160 1 23 LEU MD1 1 42 TRP HE1 . . 4.830 3.992 3.580 4.402 . 0 0 "[ . 1 . 2]" 1
1161 1 23 LEU MD1 1 42 TRP HZ2 . . 4.810 3.883 3.591 4.184 . 0 0 "[ . 1 . 2]" 1
1162 1 13 PHE QE 1 23 LEU MD1 . . 3.640 2.203 1.962 2.668 . 0 0 "[ . 1 . 2]" 1
1163 1 23 LEU MD1 1 30 TYR QD . . 4.950 4.723 4.493 4.862 . 0 0 "[ . 1 . 2]" 1
1164 1 13 PHE HA 1 23 LEU MD1 . . 4.720 3.391 2.797 4.123 . 0 0 "[ . 1 . 2]" 1
1165 1 23 LEU HA 1 23 LEU MD1 . . 3.200 2.428 2.176 2.629 . 0 0 "[ . 1 . 2]" 1
1166 1 23 LEU MD1 1 25 HIS HB3 . . 4.790 4.294 4.057 4.723 . 0 0 "[ . 1 . 2]" 1
1167 1 23 LEU MD1 1 30 TYR HB2 . . 5.320 4.493 4.249 4.614 . 0 0 "[ . 1 . 2]" 1
1168 1 11 LEU HG 1 23 LEU MD1 . . 4.370 2.336 2.108 2.499 . 0 0 "[ . 1 . 2]" 1
1169 1 11 LEU HB3 1 23 LEU MD1 . . 4.240 4.070 3.853 4.240 0.000 3 0 "[ . 1 . 2]" 1
1170 1 11 LEU MD1 1 23 LEU MD1 . . 2.970 2.515 2.127 2.841 . 0 0 "[ . 1 . 2]" 1
1171 1 23 LEU HB2 1 23 LEU MD1 . . 3.550 2.188 2.052 2.334 . 0 0 "[ . 1 . 2]" 1
1172 1 23 LEU MD1 1 24 VAL HA . . 5.000 4.758 4.305 4.902 . 0 0 "[ . 1 . 2]" 1
1173 1 23 LEU MD1 1 25 HIS HB2 . . 4.290 3.354 3.071 3.662 . 0 0 "[ . 1 . 2]" 1
1174 1 22 PHE HA 1 22 PHE QD . . 3.270 2.028 1.998 2.272 . 0 0 "[ . 1 . 2]" 1
1175 1 22 PHE HA 1 31 ARG HB3 . . 5.440 4.835 4.418 5.041 . 0 0 "[ . 1 . 2]" 1
1176 1 14 LEU HB2 1 22 PHE HA . . 5.410 4.759 4.409 5.253 . 0 0 "[ . 1 . 2]" 1
1177 1 21 ARG QG 1 22 PHE HA . . 5.500 4.081 3.507 4.336 . 0 0 "[ . 1 . 2]" 1
1178 1 22 PHE HA 1 23 LEU HB3 . . 4.490 4.327 4.227 4.399 . 0 0 "[ . 1 . 2]" 1
1179 1 22 PHE HA 1 23 LEU HB2 . . 4.900 4.528 4.486 4.620 . 0 0 "[ . 1 . 2]" 1
1180 1 13 PHE HA 1 14 LEU HB2 . . 4.890 4.100 4.042 4.213 . 0 0 "[ . 1 . 2]" 1
1181 1 13 PHE HA 1 14 LEU HG . . 5.350 4.320 4.162 4.590 . 0 0 "[ . 1 . 2]" 1
1182 1 67 ARG HA 1 67 ARG QD . . 4.350 3.493 2.009 4.113 . 0 0 "[ . 1 . 2]" 1
1183 1 86 ARG HA 1 86 ARG QD . . 4.370 3.626 2.036 4.375 0.005 18 0 "[ . 1 . 2]" 1
1184 1 39 LYS HA 1 59 GLN HA . . 4.880 3.013 2.424 3.656 . 0 0 "[ . 1 . 2]" 1
1185 1 39 LYS HA 1 58 THR H . . 5.280 4.850 4.564 5.230 . 0 0 "[ . 1 . 2]" 1
1186 1 15 ARG HA 1 16 THR MG . . 4.700 3.277 3.172 3.472 . 0 0 "[ . 1 . 2]" 1
1187 1 18 LEU HA 1 18 LEU MD1 . . 4.410 3.486 2.025 4.132 . 0 0 "[ . 1 . 2]" 1
1188 1 16 THR MG 1 21 ARG HA . . 4.340 3.245 2.653 3.741 . 0 0 "[ . 1 . 2]" 1
1189 1 15 ARG HA 1 21 ARG HA . . 3.800 2.428 2.000 2.932 . 0 0 "[ . 1 . 2]" 1
1190 1 15 ARG HA 1 22 PHE QD . . 5.340 5.111 4.600 5.337 . 0 0 "[ . 1 . 2]" 1
1191 1 12 GLU HA 1 12 GLU HG2 . . 3.800 3.389 2.795 3.806 0.006 7 0 "[ . 1 . 2]" 1
1192 1 12 GLU HA 1 12 GLU HG3 . . 3.800 2.632 2.141 3.166 . 0 0 "[ . 1 . 2]" 1
1193 1 58 THR HA 1 58 THR MG . . 3.130 2.478 2.399 2.534 . 0 0 "[ . 1 . 2]" 1
1194 1 58 THR MG 1 63 ILE HA . . 3.470 2.808 2.403 3.154 . 0 0 "[ . 1 . 2]" 1
1195 1 40 VAL HB 1 58 THR MG . . 4.400 3.597 3.245 3.886 . 0 0 "[ . 1 . 2]" 1
1196 1 58 THR MG 1 63 ILE HG12 . . 3.940 3.482 3.080 3.745 . 0 0 "[ . 1 . 2]" 1
1197 1 58 THR MG 1 63 ILE MD . . 3.440 2.496 2.081 2.951 . 0 0 "[ . 1 . 2]" 1
1198 1 23 LEU MD2 1 58 THR MG . . 3.120 2.183 1.906 2.559 . 0 0 "[ . 1 . 2]" 1
1199 1 12 GLU HA 1 13 PHE HB2 . . 4.730 4.598 4.479 4.724 . 0 0 "[ . 1 . 2]" 1
1200 1 57 ILE H 1 58 THR MG . . 4.350 4.177 3.797 4.347 . 0 0 "[ . 1 . 2]" 1
1201 1 58 THR MG 1 59 GLN H . . 4.010 3.963 3.841 4.009 . 0 0 "[ . 1 . 2]" 1
1202 1 42 TRP HZ2 1 58 THR MG . . 4.610 3.804 3.473 4.183 . 0 0 "[ . 1 . 2]" 1
1203 1 57 ILE HA 1 58 THR MG . . 4.430 3.479 3.234 3.648 . 0 0 "[ . 1 . 2]" 1
1204 1 11 LEU MD1 1 25 HIS HE1 . . 5.500 4.878 4.289 5.412 . 0 0 "[ . 1 . 2]" 1
1205 1 75 LEU MD2 1 78 LEU H . . 5.500 4.902 4.606 5.330 . 0 0 "[ . 1 . 2]" 1
1206 1 75 LEU HA 1 75 LEU MD2 . . 2.830 2.050 1.900 2.186 . 0 0 "[ . 1 . 2]" 1
1207 1 27 SER HA 1 75 LEU MD2 . . 4.460 3.522 3.181 3.998 . 0 0 "[ . 1 . 2]" 1
1208 1 11 LEU MD1 1 25 HIS HD2 . . 5.070 4.998 4.857 5.071 0.001 3 0 "[ . 1 . 2]" 1
1209 1 11 LEU MD1 1 12 GLU HB3 . . 5.090 3.997 3.697 4.919 . 0 0 "[ . 1 . 2]" 1
1210 1 11 LEU MD1 1 13 PHE QE . . 5.110 4.319 4.022 4.794 . 0 0 "[ . 1 . 2]" 1
1211 1 11 LEU MD1 1 13 PHE HZ . . 5.500 4.447 4.058 5.059 . 0 0 "[ . 1 . 2]" 1
1212 1 11 LEU MD1 1 23 LEU MD2 . . 4.180 3.731 3.477 3.971 . 0 0 "[ . 1 . 2]" 1
1213 1 8 LEU HA 1 8 LEU HG . . 4.030 3.376 2.573 3.748 . 0 0 "[ . 1 . 2]" 1
1214 1 11 LEU HA 1 12 GLU H . . 2.830 2.265 2.225 2.426 . 0 0 "[ . 1 . 2]" 1
1215 1 11 LEU HA 1 11 LEU MD1 . . 2.870 2.049 1.935 2.245 . 0 0 "[ . 1 . 2]" 1
1216 1 76 ALA HA 1 79 GLU H . . 4.090 3.855 3.638 4.027 . 0 0 "[ . 1 . 2]" 1
1217 1 76 ALA HA 1 79 GLU QG . . 4.260 4.121 3.727 4.254 . 0 0 "[ . 1 . 2]" 1
1218 1 76 ALA HA 1 79 GLU HB2 . . 3.320 3.032 2.805 3.262 . 0 0 "[ . 1 . 2]" 1
1219 1 11 LEU HA 1 11 LEU HG . . 3.690 3.109 2.957 3.196 . 0 0 "[ . 1 . 2]" 1
1220 1 11 LEU HA 1 23 LEU MD1 . . 4.940 4.830 4.645 4.927 . 0 0 "[ . 1 . 2]" 1
1221 1 35 ALA MB 1 41 TYR QD . . 5.110 4.784 4.591 5.079 . 0 0 "[ . 1 . 2]" 1
1222 1 35 ALA MB 1 36 ALA H . . 3.460 3.173 2.945 3.378 . 0 0 "[ . 1 . 2]" 1
1223 1 35 ALA MB 1 36 ALA HA . . 4.760 4.225 4.037 4.352 . 0 0 "[ . 1 . 2]" 1
1224 1 34 LYS HA 1 35 ALA MB . . 4.590 3.819 3.712 3.901 . 0 0 "[ . 1 . 2]" 1
1225 1 35 ALA MB 1 40 VAL HA . . 3.680 3.014 2.450 3.437 . 0 0 "[ . 1 . 2]" 1
1226 1 35 ALA MB 1 40 VAL MG1 . . 3.650 2.713 2.319 3.395 . 0 0 "[ . 1 . 2]" 1
1227 1 50 LEU H 1 50 LEU MD2 . . 4.560 3.479 3.009 3.815 . 0 0 "[ . 1 . 2]" 1
1228 1 50 LEU HA 1 50 LEU MD2 . . 2.880 2.142 1.968 2.379 . 0 0 "[ . 1 . 2]" 1
1229 1 49 ARG HD3 1 50 LEU MD2 . . 4.960 3.906 2.312 4.872 . 0 0 "[ . 1 . 2]" 1
1230 1 50 LEU MD2 1 71 HIS HB3 . . 5.410 3.557 2.993 4.445 . 0 0 "[ . 1 . 2]" 1
1231 1 50 LEU HB2 1 50 LEU MD2 . . 3.660 3.192 3.186 3.202 . 0 0 "[ . 1 . 2]" 1
1232 1 40 VAL MG1 1 42 TRP HA . . 4.970 4.617 4.413 4.838 . 0 0 "[ . 1 . 2]" 1
1233 1 33 GLU H 1 40 VAL MG1 . . 4.480 4.057 3.909 4.359 . 0 0 "[ . 1 . 2]" 1
1234 1 40 VAL H 1 40 VAL MG1 . . 4.190 3.958 3.912 3.982 . 0 0 "[ . 1 . 2]" 1
1235 1 35 ALA HA 1 40 VAL MG1 . . 4.030 3.205 2.978 3.572 . 0 0 "[ . 1 . 2]" 1
1236 1 40 VAL HA 1 40 VAL MG1 . . 3.170 2.188 2.072 2.361 . 0 0 "[ . 1 . 2]" 1
1237 1 40 VAL MG1 1 41 TYR HB2 . . 4.750 4.453 4.189 4.612 . 0 0 "[ . 1 . 2]" 1
1238 1 32 LYS QD 1 40 VAL MG1 . . 3.480 2.967 2.394 3.415 . 0 0 "[ . 1 . 2]" 1
1239 1 32 LYS HB2 1 40 VAL MG1 . . 4.990 3.305 2.953 3.630 . 0 0 "[ . 1 . 2]" 1
1240 1 32 LYS HG3 1 40 VAL MG1 . . 3.440 2.052 1.847 2.214 . 0 0 "[ . 1 . 2]" 1
1241 1 55 ARG HA 1 55 ARG QD . . 4.280 3.480 2.744 4.117 . 0 0 "[ . 1 . 2]" 1
1242 1 42 TRP HB2 1 55 ARG HA . . 5.500 4.672 4.273 5.048 . 0 0 "[ . 1 . 2]" 1
1243 1 54 SER HB3 1 55 ARG HA . . 5.500 4.711 4.334 5.020 . 0 0 "[ . 1 . 2]" 1
1244 1 43 MET HB3 1 55 ARG HA . . 4.720 3.833 3.477 4.129 . 0 0 "[ . 1 . 2]" 1
1245 1 43 MET HB2 1 55 ARG HA . . 5.140 4.186 3.806 4.499 . 0 0 "[ . 1 . 2]" 1
1246 1 55 ARG HA 1 55 ARG HG3 . . 4.160 2.637 2.241 3.447 . 0 0 "[ . 1 . 2]" 1
1247 1 64 MET HA 1 65 VAL MG2 . . 4.570 3.551 3.186 3.935 . 0 0 "[ . 1 . 2]" 1
1248 1 13 PHE HB2 1 23 LEU HA . . 5.500 4.928 4.689 5.498 . 0 0 "[ . 1 . 2]" 1
1249 1 23 LEU HA 1 30 TYR HB2 . . 5.500 5.081 4.858 5.199 . 0 0 "[ . 1 . 2]" 1
1250 1 13 PHE QE 1 23 LEU HA . . 5.180 4.504 4.238 4.936 . 0 0 "[ . 1 . 2]" 1
1251 1 23 LEU HA 1 42 TRP HZ3 . . 5.500 4.594 4.358 4.973 . 0 0 "[ . 1 . 2]" 1
1252 1 13 PHE QD 1 23 LEU HA . . 3.880 2.895 2.503 3.250 . 0 0 "[ . 1 . 2]" 1
1253 1 13 PHE HA 1 23 LEU HA . . 3.760 2.407 2.146 2.772 . 0 0 "[ . 1 . 2]" 1
1254 1 23 LEU HA 1 23 LEU HG . . 3.940 3.126 3.069 3.255 . 0 0 "[ . 1 . 2]" 1
1255 1 49 ARG HD2 1 50 LEU MD2 . . 4.960 3.652 2.056 4.797 . 0 0 "[ . 1 . 2]" 1
1256 1 46 ASP HB2 1 50 LEU MD2 . . 4.900 4.744 3.615 4.900 0.000 6 0 "[ . 1 . 2]" 1
1257 1 56 ALA H 1 56 ALA MB . . 3.250 2.629 2.431 2.761 . 0 0 "[ . 1 . 2]" 1
1258 1 42 TRP HD1 1 56 ALA MB . . 3.970 3.810 3.386 3.969 . 0 0 "[ . 1 . 2]" 1
1259 1 56 ALA MB 1 65 VAL HA . . 3.500 2.230 2.006 2.545 . 0 0 "[ . 1 . 2]" 1
1260 1 42 TRP HB3 1 56 ALA MB . . 4.220 3.991 3.810 4.205 . 0 0 "[ . 1 . 2]" 1
1261 1 56 ALA MB 1 57 ILE HB . . 4.960 4.768 4.661 4.892 . 0 0 "[ . 1 . 2]" 1
1262 1 56 ALA MB 1 65 VAL MG2 . . 3.530 2.662 2.323 3.063 . 0 0 "[ . 1 . 2]" 1
1263 1 23 LEU MD2 1 56 ALA MB . . 3.570 3.075 2.819 3.344 . 0 0 "[ . 1 . 2]" 1
1264 1 32 LYS HG2 1 40 VAL MG1 . . 3.740 3.301 2.896 3.592 . 0 0 "[ . 1 . 2]" 1
1265 1 23 LEU HA 1 24 VAL HB . . 4.830 4.659 4.588 4.756 . 0 0 "[ . 1 . 2]" 1
1266 1 40 VAL MG2 1 58 THR H . . 4.720 4.270 3.690 4.458 . 0 0 "[ . 1 . 2]" 1
1267 1 40 VAL MG2 1 58 THR HG1 . . 4.380 2.685 2.237 3.082 . 0 0 "[ . 1 . 2]" 1
1268 1 39 LYS HA 1 40 VAL MG2 . . 4.380 3.133 2.959 3.305 . 0 0 "[ . 1 . 2]" 1
1269 1 40 VAL HA 1 40 VAL MG2 . . 3.050 2.527 2.371 2.646 . 0 0 "[ . 1 . 2]" 1
1270 1 40 VAL MG2 1 42 TRP HE1 . . 4.210 3.518 3.358 3.594 . 0 0 "[ . 1 . 2]" 1
1271 1 40 VAL MG2 1 41 TYR H . . 4.420 4.264 4.106 4.350 . 0 0 "[ . 1 . 2]" 1
1272 1 25 HIS HB3 1 56 ALA MB . . 5.170 4.416 4.215 4.681 . 0 0 "[ . 1 . 2]" 1
1273 1 30 TYR HB2 1 56 ALA MB . . 5.500 4.490 4.212 4.724 . 0 0 "[ . 1 . 2]" 1
1274 1 42 TRP HB2 1 56 ALA MB . . 3.340 2.769 2.528 2.965 . 0 0 "[ . 1 . 2]" 1
1275 1 56 ALA MB 1 66 MET HG2 . . 5.500 4.659 3.641 5.498 . 0 0 "[ . 1 . 2]" 1
1276 1 56 ALA MB 1 63 ILE HG13 . . 3.980 3.084 2.746 3.586 . 0 0 "[ . 1 . 2]" 1
1277 1 31 ARG HA 1 32 LYS HB2 . . 4.690 4.608 4.500 4.685 . 0 0 "[ . 1 . 2]" 1
1278 1 22 PHE HA 1 31 ARG HA . . 3.990 3.255 2.756 3.541 . 0 0 "[ . 1 . 2]" 1
1279 1 31 ARG HA 1 32 LYS HB3 . . 4.690 4.606 4.518 4.688 . 0 0 "[ . 1 . 2]" 1
1280 1 54 SER HG 1 65 VAL MG1 . . 3.940 3.301 2.979 3.724 . 0 0 "[ . 1 . 2]" 1
1281 1 64 MET H 1 65 VAL MG2 . . 4.870 4.327 4.151 4.659 . 0 0 "[ . 1 . 2]" 1
1282 1 16 THR MG 1 20 GLY H . . 4.220 3.289 2.139 4.151 . 0 0 "[ . 1 . 2]" 1
1283 1 63 ILE MD 1 65 VAL MG2 . . 3.600 3.561 3.414 3.600 . 17 0 "[ . 1 . 2]" 1
1284 1 13 PHE QD 1 24 VAL MG2 . . 5.310 5.180 4.897 5.310 . 0 0 "[ . 1 . 2]" 1
1285 1 24 VAL MG1 1 27 SER HA . . 3.460 3.403 3.193 3.459 . 0 0 "[ . 1 . 2]" 1
1286 1 24 VAL MG1 1 25 HIS HB3 . . 5.500 5.008 4.855 5.209 . 0 0 "[ . 1 . 2]" 1
1287 1 24 VAL MG1 1 28 PHE HB2 . . 5.500 5.389 5.108 5.489 . 0 0 "[ . 1 . 2]" 1
1288 1 23 LEU HB3 1 31 ARG HA . . 4.840 4.491 4.141 4.788 . 0 0 "[ . 1 . 2]" 1
1289 1 30 TYR HB3 1 43 MET HA . . 4.490 3.682 3.467 4.123 . 0 0 "[ . 1 . 2]" 1
1290 1 43 MET HA 1 44 CYS QB . . 4.290 4.073 4.052 4.096 . 0 0 "[ . 1 . 2]" 1
1291 1 29 LEU HA 1 30 TYR HB2 . . 4.710 4.696 4.627 4.717 0.007 20 0 "[ . 1 . 2]" 1
1292 1 65 VAL MG1 1 69 HIS HE2 . . 4.500 3.387 2.850 4.049 . 0 0 "[ . 1 . 2]" 1
1293 1 65 VAL MG1 1 69 HIS HD2 . . 4.660 4.008 3.682 4.349 . 0 0 "[ . 1 . 2]" 1
1294 1 16 THR MG 1 22 PHE H . . 4.550 3.525 2.987 4.406 . 0 0 "[ . 1 . 2]" 1
1295 1 24 VAL MG2 1 30 TYR H . . 4.930 4.785 4.502 4.904 . 0 0 "[ . 1 . 2]" 1
1296 1 14 LEU H 1 24 VAL MG2 . . 4.040 3.875 3.615 4.040 . 0 0 "[ . 1 . 2]" 1
1297 1 24 VAL H 1 24 VAL MG2 . . 3.200 2.490 2.392 2.625 . 0 0 "[ . 1 . 2]" 1
1298 1 22 PHE QD 1 24 VAL MG2 . . 5.120 5.065 4.796 5.121 0.001 15 0 "[ . 1 . 2]" 1
1299 1 24 VAL MG1 1 30 TYR QE . . 5.220 4.975 4.638 5.177 . 0 0 "[ . 1 . 2]" 1
1300 1 13 PHE HA 1 24 VAL MG2 . . 4.000 3.163 2.806 3.474 . 0 0 "[ . 1 . 2]" 1
1301 1 24 VAL MG2 1 29 LEU HA . . 4.090 3.883 3.610 4.000 . 0 0 "[ . 1 . 2]" 1
1302 1 24 VAL HA 1 24 VAL MG1 . . 3.190 2.382 2.245 2.467 . 0 0 "[ . 1 . 2]" 1
1303 1 24 VAL HA 1 24 VAL MG2 . . 3.410 2.368 2.288 2.467 . 0 0 "[ . 1 . 2]" 1
1304 1 23 LEU HA 1 24 VAL MG2 . . 4.030 3.706 3.398 3.867 . 0 0 "[ . 1 . 2]" 1
1305 1 22 PHE HB2 1 24 VAL MG2 . . 5.080 4.519 4.171 4.917 . 0 0 "[ . 1 . 2]" 1
1306 1 24 VAL MG1 1 25 HIS HB2 . . 5.500 4.805 4.655 4.984 . 0 0 "[ . 1 . 2]" 1
1307 1 12 GLU HB3 1 24 VAL MG1 . . 3.830 2.870 2.426 3.184 . 0 0 "[ . 1 . 2]" 1
1308 1 12 GLU HB3 1 24 VAL MG2 . . 4.360 3.521 2.985 3.785 . 0 0 "[ . 1 . 2]" 1
1309 1 24 VAL HA 1 29 LEU HA . . 3.670 2.985 2.803 3.142 . 0 0 "[ . 1 . 2]" 1
1310 1 36 ALA MB 1 40 VAL HA . . 5.200 4.755 4.385 5.027 . 0 0 "[ . 1 . 2]" 1
1311 1 36 ALA MB 1 41 TYR QD . . 4.220 3.536 3.239 4.056 . 0 0 "[ . 1 . 2]" 1
1312 1 35 ALA HA 1 36 ALA MB . . 4.550 3.966 3.926 4.026 . 0 0 "[ . 1 . 2]" 1
1313 1 36 ALA MB 1 39 LYS QE . . 4.890 2.931 2.067 3.986 . 0 0 "[ . 1 . 2]" 1
1314 1 50 LEU MD1 1 71 HIS HA . . 4.990 4.433 4.094 4.926 . 0 0 "[ . 1 . 2]" 1
1315 1 35 ALA HA 1 40 VAL MG2 . . 4.100 3.580 3.199 3.878 . 0 0 "[ . 1 . 2]" 1
1316 1 79 GLU H 1 80 ALA MB . . 4.510 4.208 4.035 4.334 . 0 0 "[ . 1 . 2]" 1
1317 1 76 ALA MB 1 77 GLY HA3 . . 4.320 4.059 3.934 4.315 . 0 0 "[ . 1 . 2]" 1
1318 1 9 ARG HA 1 10 PRO HD3 . . 2.840 2.260 2.257 2.266 . 0 0 "[ . 1 . 2]" 1
1319 1 9 ARG QG 1 10 PRO HD3 . . 4.250 3.879 3.090 4.253 0.003 4 0 "[ . 1 . 2]" 1
1320 1 9 ARG HA 1 10 PRO HD2 . . 2.990 2.253 2.237 2.285 . 0 0 "[ . 1 . 2]" 1
1321 1 9 ARG HB3 1 10 PRO HD2 . . 4.130 2.664 2.280 3.984 . 0 0 "[ . 1 . 2]" 1
1322 1 9 ARG QG 1 10 PRO HD2 . . 3.850 2.976 1.839 3.526 . 0 0 "[ . 1 . 2]" 1
1323 1 77 GLY HA2 1 80 ALA MB . . 3.460 2.647 2.460 2.788 . 0 0 "[ . 1 . 2]" 1
1324 1 79 GLU HB2 1 80 ALA MB . . 4.580 4.336 4.167 4.464 . 0 0 "[ . 1 . 2]" 1
1325 1 47 GLN H 1 48 ALA MB . . 5.120 4.178 3.927 4.901 . 0 0 "[ . 1 . 2]" 1
1326 1 76 ALA MB 1 78 LEU H . . 5.500 4.428 4.212 4.853 . 0 0 "[ . 1 . 2]" 1
1327 1 78 LEU H 1 80 ALA MB . . 5.500 4.584 4.440 4.699 . 0 0 "[ . 1 . 2]" 1
1328 1 76 ALA MB 1 79 GLU HB2 . . 4.710 4.543 4.360 4.698 . 0 0 "[ . 1 . 2]" 1
1329 1 75 LEU H 1 76 ALA MB . . 4.750 4.364 4.216 4.481 . 0 0 "[ . 1 . 2]" 1
1330 1 56 ALA HA 1 66 MET H . . 3.270 2.837 2.487 3.170 . 0 0 "[ . 1 . 2]" 1
1331 1 55 ARG HB3 1 56 ALA HA . . 4.760 4.146 3.961 4.541 . 0 0 "[ . 1 . 2]" 1
1332 1 55 ARG HB2 1 56 ALA HA . . 5.500 4.875 4.532 5.494 . 0 0 "[ . 1 . 2]" 1
1333 1 56 ALA HA 1 66 MET HB2 . . 5.500 4.175 3.419 4.586 . 0 0 "[ . 1 . 2]" 1
1334 1 56 ALA HA 1 65 VAL MG1 . . 4.240 3.988 3.698 4.230 . 0 0 "[ . 1 . 2]" 1
1335 1 56 ALA HA 1 65 VAL MG2 . . 4.660 4.157 3.895 4.473 . 0 0 "[ . 1 . 2]" 1
1336 1 56 ALA HA 1 64 MET H . . 4.920 4.631 4.385 4.853 . 0 0 "[ . 1 . 2]" 1
1337 1 28 PHE QE 1 73 PRO HD2 . . 4.420 4.192 3.621 4.314 . 0 0 "[ . 1 . 2]" 1
1338 1 72 GLN HA 1 73 PRO HD2 . . 3.230 2.376 2.325 2.436 . 0 0 "[ . 1 . 2]" 1
1339 1 72 GLN HB3 1 73 PRO HD2 . . 3.800 2.539 2.001 3.617 . 0 0 "[ . 1 . 2]" 1
1340 1 69 HIS HB2 1 73 PRO HD3 . . 5.500 5.270 4.870 5.455 . 0 0 "[ . 1 . 2]" 1
1341 1 72 GLN HA 1 73 PRO HD3 . . 3.160 2.293 2.277 2.317 . 0 0 "[ . 1 . 2]" 1
1342 1 31 ARG H 1 43 MET ME . . 5.260 4.450 4.141 4.752 . 0 0 "[ . 1 . 2]" 1
1343 1 43 MET H 1 43 MET ME . . 5.500 4.291 3.953 4.614 . 0 0 "[ . 1 . 2]" 1
1344 1 31 ARG QD 1 43 MET ME . . 3.930 3.183 2.611 3.774 . 0 0 "[ . 1 . 2]" 1
1345 1 31 ARG HA 1 43 MET ME . . 5.500 5.086 4.802 5.397 . 0 0 "[ . 1 . 2]" 1
1346 1 43 MET HA 1 43 MET ME . . 5.500 5.387 5.277 5.420 . 0 0 "[ . 1 . 2]" 1
1347 1 33 GLU HA 1 43 MET ME . . 3.910 2.820 2.207 3.581 . 0 0 "[ . 1 . 2]" 1
1348 1 40 VAL H 1 57 ILE MG . . 3.570 2.793 2.450 3.128 . 0 0 "[ . 1 . 2]" 1
1349 1 57 ILE MG 1 64 MET H . . 4.860 4.398 4.144 4.595 . 0 0 "[ . 1 . 2]" 1
1350 1 57 ILE MG 1 59 GLN H . . 4.750 4.401 4.069 4.654 . 0 0 "[ . 1 . 2]" 1
1351 1 42 TRP HD1 1 57 ILE MG . . 4.720 4.486 3.991 4.704 . 0 0 "[ . 1 . 2]" 1
1352 1 57 ILE MG 1 58 THR HA . . 4.300 3.619 3.258 3.774 . 0 0 "[ . 1 . 2]" 1
1353 1 57 ILE HA 1 57 ILE MG . . 3.200 2.457 2.363 2.552 . 0 0 "[ . 1 . 2]" 1
1354 1 39 LYS HA 1 57 ILE MG . . 4.400 3.741 3.272 4.038 . 0 0 "[ . 1 . 2]" 1
1355 1 41 TYR HA 1 57 ILE MG . . 4.700 3.737 3.333 3.979 . 0 0 "[ . 1 . 2]" 1
1356 1 39 LYS QE 1 57 ILE MG . . 3.900 3.110 1.710 3.885 . 0 0 "[ . 1 . 2]" 1
1357 1 57 ILE MG 1 59 GLN QG . . 4.480 3.676 2.362 4.252 . 0 0 "[ . 1 . 2]" 1
1358 1 39 LYS HB2 1 57 ILE MG . . 4.130 3.683 2.633 4.138 0.008 16 0 "[ . 1 . 2]" 1
1359 1 57 ILE MG 1 64 MET HB3 . . 4.720 3.869 3.118 4.719 . 0 0 "[ . 1 . 2]" 1
1360 1 58 THR HA 1 64 MET ME . . 5.200 4.601 3.144 5.199 . 0 0 "[ . 1 . 2]" 1
1361 1 64 MET HA 1 64 MET ME . . 4.840 4.266 3.929 4.628 . 0 0 "[ . 1 . 2]" 1
1362 1 57 ILE MD 1 64 MET ME . . 3.950 3.030 1.787 3.928 . 0 0 "[ . 1 . 2]" 1
1363 1 66 MET H 1 66 MET ME . . 4.950 4.685 3.974 4.949 . 0 0 "[ . 1 . 2]" 1
1364 1 41 TYR QD 1 66 MET ME . . 5.070 4.200 2.565 4.997 . 0 0 "[ . 1 . 2]" 1
1365 1 56 ALA HA 1 66 MET ME . . 5.500 4.476 3.522 4.998 . 0 0 "[ . 1 . 2]" 1
1366 1 57 ILE HA 1 66 MET ME . . 5.500 5.281 4.236 5.500 . 0 0 "[ . 1 . 2]" 1
1367 1 66 MET HA 1 66 MET ME . . 4.190 3.898 2.760 4.189 . 0 0 "[ . 1 . 2]" 1
1368 1 57 ILE MD 1 66 MET ME . . 3.540 2.105 1.774 3.520 . 0 0 "[ . 1 . 2]" 1
1369 1 57 ILE MG 1 66 MET ME . . 5.420 4.386 3.376 5.407 . 0 0 "[ . 1 . 2]" 1
1370 1 57 ILE MG 1 64 MET ME . . 4.060 2.392 1.948 3.058 . 0 0 "[ . 1 . 2]" 1
1371 1 41 TYR QE 1 66 MET ME . . 4.670 3.604 2.681 4.665 . 0 0 "[ . 1 . 2]" 1
1372 1 57 ILE MD 1 57 ILE MG . . 3.030 2.083 1.926 2.207 . 0 0 "[ . 1 . 2]" 1
1373 1 39 LYS HG2 1 57 ILE MG . . 4.450 2.958 2.377 3.387 . 0 0 "[ . 1 . 2]" 1
1374 1 39 LYS HB3 1 57 ILE MG . . 3.110 2.370 1.877 2.764 . 0 0 "[ . 1 . 2]" 1
1375 1 59 GLN HA 1 59 GLN QG . . 3.670 2.333 2.120 3.324 . 0 0 "[ . 1 . 2]" 1
1376 1 43 MET ME 1 43 MET HG3 . . 3.630 2.496 2.247 2.815 . 0 0 "[ . 1 . 2]" 1
1377 1 11 LEU MD2 1 58 THR HB . . 3.870 2.717 2.356 2.946 . 0 0 "[ . 1 . 2]" 1
1378 1 57 ILE H 1 64 MET ME . . 4.960 4.179 3.808 4.675 . 0 0 "[ . 1 . 2]" 1
1379 1 65 VAL MG2 1 69 HIS HE2 . . 5.230 3.790 3.308 4.178 . 0 0 "[ . 1 . 2]" 1
1380 1 35 ALA MB 1 40 VAL MG2 . . 3.450 2.812 2.491 3.238 . 0 0 "[ . 1 . 2]" 1
1381 1 50 LEU HB3 1 50 LEU MD2 . . 3.660 2.338 2.205 2.514 . 0 0 "[ . 1 . 2]" 1
1382 1 39 LYS HD2 1 57 ILE MG . . 3.970 2.712 1.832 3.973 0.003 4 0 "[ . 1 . 2]" 1
1383 1 75 LEU HA 1 75 LEU MD1 . . 4.510 3.763 3.591 3.947 . 0 0 "[ . 1 . 2]" 1
1384 1 78 LEU HB2 1 78 LEU MD2 . . 3.050 2.553 2.397 2.654 . 0 0 "[ . 1 . 2]" 1
1385 1 28 PHE H 1 78 LEU MD2 . . 5.060 4.144 3.633 4.436 . 0 0 "[ . 1 . 2]" 1
1386 1 15 ARG HA 1 15 ARG QD . . 5.130 3.879 2.250 4.538 . 0 0 "[ . 1 . 2]" 1
1387 1 15 ARG HA 1 21 ARG HB2 . . 5.490 4.244 3.163 4.855 . 0 0 "[ . 1 . 2]" 1
1388 1 15 ARG HA 1 21 ARG HB3 . . 5.490 5.112 3.420 5.486 . 0 0 "[ . 1 . 2]" 1
1389 1 22 PHE HB3 1 29 LEU HA . . 4.530 4.415 4.186 4.529 . 0 0 "[ . 1 . 2]" 1
1390 1 29 LEU HB3 1 45 ARG H . . 5.070 4.153 3.777 4.421 . 0 0 "[ . 1 . 2]" 1
1391 1 14 LEU HB2 1 24 VAL MG2 . . 3.460 3.010 2.685 3.373 . 0 0 "[ . 1 . 2]" 1
1392 1 14 LEU HG 1 24 VAL MG2 . . 3.600 2.482 1.947 3.122 . 0 0 "[ . 1 . 2]" 1
1393 1 30 TYR HA 1 45 ARG HB2 . . 4.890 4.821 4.640 4.897 0.007 16 0 "[ . 1 . 2]" 1
1394 1 81 LEU HB3 1 82 ARG HA . . 4.330 4.122 3.918 4.287 . 0 0 "[ . 1 . 2]" 1
1395 1 22 PHE QE 1 81 LEU MD2 . . 4.420 3.647 2.804 4.345 . 0 0 "[ . 1 . 2]" 1
1396 1 22 PHE QE 1 81 LEU MD1 . . 4.440 3.612 2.864 4.105 . 0 0 "[ . 1 . 2]" 1
1397 1 69 HIS HA 1 71 HIS HD2 . . 4.750 4.725 4.597 4.750 . 0 0 "[ . 1 . 2]" 1
1398 1 84 ARG HB2 1 84 ARG QD . . 3.840 2.602 2.085 3.251 . 0 0 "[ . 1 . 2]" 1
1399 1 75 LEU MD2 1 76 ALA H . . 5.500 4.351 4.040 4.715 . 0 0 "[ . 1 . 2]" 1
1400 1 11 LEU MD1 1 63 ILE HB . . 3.700 2.269 2.052 2.574 . 0 0 "[ . 1 . 2]" 1
1401 1 14 LEU MD2 1 82 ARG HB2 . . 4.980 3.960 3.588 4.480 . 0 0 "[ . 1 . 2]" 1
1402 1 14 LEU MD2 1 82 ARG HB3 . . 4.980 3.423 2.466 3.966 . 0 0 "[ . 1 . 2]" 1
1403 1 11 LEU MD2 1 63 ILE HA . . 4.790 3.497 3.142 3.930 . 0 0 "[ . 1 . 2]" 1
1404 1 41 TYR QD 1 55 ARG HB3 . . 5.480 4.454 3.985 5.441 . 0 0 "[ . 1 . 2]" 1
1405 1 24 VAL HA 1 30 TYR QD . . 4.530 3.787 3.448 3.935 . 0 0 "[ . 1 . 2]" 1
1406 1 41 TYR QD 1 42 TRP H . . 4.450 4.216 4.047 4.350 . 0 0 "[ . 1 . 2]" 1
1407 1 40 VAL H 1 41 TYR QD . . 5.110 4.206 3.990 4.439 . 0 0 "[ . 1 . 2]" 1
1408 1 41 TYR H 1 41 TYR QD . . 3.110 2.027 1.910 2.576 . 0 0 "[ . 1 . 2]" 1
1409 1 35 ALA HA 1 41 TYR QD . . 4.030 3.343 3.075 4.018 . 0 0 "[ . 1 . 2]" 1
1410 1 40 VAL HA 1 41 TYR QD . . 3.680 3.144 2.939 3.646 . 0 0 "[ . 1 . 2]" 1
1411 1 34 LYS HE2 1 41 TYR QD . . 4.870 3.891 2.415 4.832 . 0 0 "[ . 1 . 2]" 1
1412 1 39 LYS HB2 1 41 TYR QD . . 4.590 4.394 3.976 4.574 . 0 0 "[ . 1 . 2]" 1
1413 1 34 LYS HG2 1 41 TYR QD . . 4.160 3.798 2.907 4.161 0.001 6 0 "[ . 1 . 2]" 1
1414 1 34 LYS HG3 1 41 TYR QD . . 4.160 3.002 2.229 3.570 . 0 0 "[ . 1 . 2]" 1
1415 1 41 TYR QD 1 57 ILE HG12 . . 3.690 3.194 2.188 3.567 . 0 0 "[ . 1 . 2]" 1
1416 1 41 TYR QD 1 57 ILE MG . . 4.100 3.836 2.810 4.095 . 0 0 "[ . 1 . 2]" 1
1417 1 40 VAL MG1 1 41 TYR QD . . 4.630 4.382 4.111 4.598 . 0 0 "[ . 1 . 2]" 1
1418 1 30 TYR QD 1 31 ARG H . . 4.540 4.169 4.063 4.266 . 0 0 "[ . 1 . 2]" 1
1419 1 30 TYR H 1 30 TYR QD . . 3.330 2.145 2.073 2.381 . 0 0 "[ . 1 . 2]" 1
1420 1 25 HIS H 1 30 TYR QD . . 3.900 3.403 3.231 3.631 . 0 0 "[ . 1 . 2]" 1
1421 1 30 TYR QD 1 43 MET HA . . 4.070 3.040 2.692 3.433 . 0 0 "[ . 1 . 2]" 1
1422 1 29 LEU HA 1 30 TYR QD . . 3.390 2.662 2.507 2.798 . 0 0 "[ . 1 . 2]" 1
1423 1 30 TYR QD 1 44 CYS HA . . 3.660 3.162 3.024 3.276 . 0 0 "[ . 1 . 2]" 1
1424 1 30 TYR QD 1 42 TRP HB2 . . 3.960 3.721 3.593 3.848 . 0 0 "[ . 1 . 2]" 1
1425 1 23 LEU HB3 1 30 TYR QD . . 3.830 3.436 3.261 3.655 . 0 0 "[ . 1 . 2]" 1
1426 1 23 LEU HG 1 30 TYR QD . . 4.030 3.341 3.028 3.538 . 0 0 "[ . 1 . 2]" 1
1427 1 30 TYR QD 1 56 ALA MB . . 4.010 3.155 2.873 3.533 . 0 0 "[ . 1 . 2]" 1
1428 1 23 LEU MD2 1 30 TYR QD . . 3.590 3.157 2.824 3.337 . 0 0 "[ . 1 . 2]" 1
1429 1 12 GLU HA 1 13 PHE QE . . 5.060 4.247 3.574 4.916 . 0 0 "[ . 1 . 2]" 1
1430 1 11 LEU HG 1 13 PHE QD . . 4.460 4.057 3.852 4.381 . 0 0 "[ . 1 . 2]" 1
1431 1 13 PHE QE 1 23 LEU HB2 . . 4.100 3.773 3.445 4.009 . 0 0 "[ . 1 . 2]" 1
1432 1 11 LEU H 1 13 PHE QE . . 4.560 3.833 3.124 4.542 . 0 0 "[ . 1 . 2]" 1
1433 1 13 PHE H 1 13 PHE QE . . 5.000 4.779 4.393 4.963 . 0 0 "[ . 1 . 2]" 1
1434 1 11 LEU HG 1 13 PHE QE . . 4.280 3.345 2.949 3.864 . 0 0 "[ . 1 . 2]" 1
1435 1 11 LEU HB3 1 13 PHE QE . . 3.340 2.417 2.079 2.985 . 0 0 "[ . 1 . 2]" 1
1436 1 11 LEU MD2 1 13 PHE QE . . 3.420 2.368 2.003 2.852 . 0 0 "[ . 1 . 2]" 1
1437 1 16 THR MG 1 22 PHE QD . . 3.840 2.368 1.935 2.906 . 0 0 "[ . 1 . 2]" 1
1438 1 13 PHE QD 1 14 LEU H . . 4.410 3.894 3.679 4.206 . 0 0 "[ . 1 . 2]" 1
1439 1 11 LEU H 1 13 PHE QD . . 5.500 5.284 4.699 5.493 . 0 0 "[ . 1 . 2]" 1
1440 1 13 PHE QD 1 23 LEU H . . 5.500 5.218 4.978 5.496 . 0 0 "[ . 1 . 2]" 1
1441 1 12 GLU HA 1 13 PHE QD . . 3.940 3.198 2.562 3.798 . 0 0 "[ . 1 . 2]" 1
1442 1 11 LEU HB3 1 13 PHE QD . . 4.680 4.242 3.972 4.627 . 0 0 "[ . 1 . 2]" 1
1443 1 13 PHE QD 1 21 ARG QG . . 4.930 3.823 2.908 4.182 . 0 0 "[ . 1 . 2]" 1
1444 1 13 PHE QD 1 23 LEU MD1 . . 3.970 2.436 2.003 3.145 . 0 0 "[ . 1 . 2]" 1
1445 1 13 PHE HA 1 13 PHE QD . . 3.690 3.021 2.738 3.278 . 0 0 "[ . 1 . 2]" 1
1446 1 11 LEU MD2 1 13 PHE QD . . 4.090 3.896 3.657 4.088 . 0 0 "[ . 1 . 2]" 1
1447 1 11 LEU MD1 1 13 PHE QD . . 5.500 5.028 4.817 5.344 . 0 0 "[ . 1 . 2]" 1
1448 1 13 PHE QD 1 23 LEU HB3 . . 5.500 4.696 4.365 5.071 . 0 0 "[ . 1 . 2]" 1
1449 1 13 PHE QD 1 23 LEU HG . . 5.500 4.824 4.526 5.267 . 0 0 "[ . 1 . 2]" 1
1450 1 13 PHE QD 1 23 LEU HB2 . . 4.040 3.061 2.654 3.450 . 0 0 "[ . 1 . 2]" 1
1451 1 22 PHE HA 1 22 PHE QE . . 4.640 4.144 4.127 4.228 . 0 0 "[ . 1 . 2]" 1
1452 1 22 PHE QE 1 31 ARG HA . . 4.510 4.161 3.974 4.373 . 0 0 "[ . 1 . 2]" 1
1453 1 22 PHE QE 1 45 ARG HD3 . . 4.140 3.055 2.173 3.645 . 0 0 "[ . 1 . 2]" 1
1454 1 16 THR MG 1 22 PHE QE . . 3.690 2.486 2.057 3.033 . 0 0 "[ . 1 . 2]" 1
1455 1 22 PHE QE 1 31 ARG HG3 . . 4.740 3.664 3.392 4.271 . 0 0 "[ . 1 . 2]" 1
1456 1 22 PHE QE 1 45 ARG HG3 . . 5.500 4.387 4.217 4.535 . 0 0 "[ . 1 . 2]" 1
1457 1 22 PHE H 1 22 PHE QD . . 4.390 3.711 3.124 4.116 . 0 0 "[ . 1 . 2]" 1
1458 1 22 PHE QD 1 31 ARG HA . . 3.780 3.255 3.063 3.578 . 0 0 "[ . 1 . 2]" 1
1459 1 22 PHE QE 1 31 ARG HB3 . . 3.860 3.752 3.126 3.860 0.000 9 0 "[ . 1 . 2]" 1
1460 1 22 PHE QE 1 45 ARG HD2 . . 4.460 2.768 2.022 3.294 . 0 0 "[ . 1 . 2]" 1
1461 1 22 PHE HZ 1 45 ARG HD2 . . 4.540 2.758 2.531 3.228 . 0 0 "[ . 1 . 2]" 1
1462 1 16 THR MG 1 22 PHE HZ . . 4.420 3.839 3.390 4.380 . 0 0 "[ . 1 . 2]" 1
1463 1 22 PHE HZ 1 45 ARG HB2 . . 4.850 3.329 2.982 3.608 . 0 0 "[ . 1 . 2]" 1
1464 1 22 PHE HZ 1 45 ARG HG2 . . 5.430 5.426 5.389 5.441 0.011 9 0 "[ . 1 . 2]" 1
1465 1 11 LEU HB3 1 13 PHE HZ . . 3.920 2.554 2.130 3.209 . 0 0 "[ . 1 . 2]" 1
1466 1 11 LEU MD2 1 13 PHE HZ . . 3.230 2.097 1.903 2.539 . 0 0 "[ . 1 . 2]" 1
1467 1 13 PHE HZ 1 23 LEU MD1 . . 3.960 3.520 3.005 3.813 . 0 0 "[ . 1 . 2]" 1
1468 1 28 PHE QE 1 71 HIS HD1 . . 3.390 2.004 1.918 2.855 . 0 0 "[ . 1 . 2]" 1
1469 1 28 PHE QE 1 72 GLN HA . . 3.710 3.494 3.360 3.673 . 0 0 "[ . 1 . 2]" 1
1470 1 28 PHE QE 1 73 PRO HD3 . . 3.270 3.013 2.019 3.160 . 0 0 "[ . 1 . 2]" 1
1471 1 28 PHE QE 1 69 HIS HB2 . . 4.080 3.080 2.343 3.306 . 0 0 "[ . 1 . 2]" 1
1472 1 50 LEU HB2 1 71 HIS HD2 . . 5.110 2.831 2.276 3.449 . 0 0 "[ . 1 . 2]" 1
1473 1 52 CYS HB2 1 71 HIS HD2 . . 3.750 2.052 2.000 2.120 . 0 0 "[ . 1 . 2]" 1
1474 1 50 LEU MD1 1 71 HIS HD2 . . 4.490 2.824 2.499 3.160 . 0 0 "[ . 1 . 2]" 1
1475 1 42 TRP HD1 1 56 ALA H . . 5.500 4.759 4.413 5.114 . 0 0 "[ . 1 . 2]" 1
1476 1 40 VAL MG1 1 42 TRP HD1 . . 4.030 3.835 3.525 4.023 . 0 0 "[ . 1 . 2]" 1
1477 1 42 TRP HD1 1 58 THR H . . 3.400 2.734 2.408 3.154 . 0 0 "[ . 1 . 2]" 1
1478 1 42 TRP H 1 42 TRP HD1 . . 3.350 3.046 2.850 3.198 . 0 0 "[ . 1 . 2]" 1
1479 1 42 TRP HD1 1 57 ILE HA . . 3.120 2.852 2.450 3.062 . 0 0 "[ . 1 . 2]" 1
1480 1 41 TYR HA 1 42 TRP HD1 . . 3.680 3.225 3.040 3.396 . 0 0 "[ . 1 . 2]" 1
1481 1 42 TRP HB2 1 42 TRP HD1 . . 3.460 2.747 2.722 2.779 . 0 0 "[ . 1 . 2]" 1
1482 1 40 VAL HB 1 42 TRP HD1 . . 4.170 3.729 3.508 3.839 . 0 0 "[ . 1 . 2]" 1
1483 1 42 TRP HD1 1 58 THR MG . . 3.240 2.332 2.023 2.547 . 0 0 "[ . 1 . 2]" 1
1484 1 23 LEU MD2 1 42 TRP HD1 . . 3.870 3.266 3.055 3.459 . 0 0 "[ . 1 . 2]" 1
1485 1 32 LYS QD 1 42 TRP HH2 . . 4.470 4.122 3.626 4.377 . 0 0 "[ . 1 . 2]" 1
1486 1 40 VAL MG1 1 42 TRP HH2 . . 4.490 4.220 3.921 4.378 . 0 0 "[ . 1 . 2]" 1
1487 1 23 LEU HB2 1 42 TRP HH2 . . 4.580 3.567 3.405 3.833 . 0 0 "[ . 1 . 2]" 1
1488 1 32 LYS HB3 1 42 TRP HZ3 . . 4.500 3.943 3.656 4.216 . 0 0 "[ . 1 . 2]" 1
1489 1 31 ARG HA 1 42 TRP HZ3 . . 4.000 2.953 2.555 3.241 . 0 0 "[ . 1 . 2]" 1
1490 1 32 LYS HA 1 42 TRP HZ3 . . 4.520 3.987 3.710 4.210 . 0 0 "[ . 1 . 2]" 1
1491 1 32 LYS HB2 1 42 TRP HZ3 . . 4.500 3.029 2.692 3.300 . 0 0 "[ . 1 . 2]" 1
1492 1 23 LEU H 1 42 TRP HZ3 . . 4.230 3.769 3.556 4.012 . 0 0 "[ . 1 . 2]" 1
1493 1 22 PHE HA 1 42 TRP HZ3 . . 3.960 3.146 2.798 3.504 . 0 0 "[ . 1 . 2]" 1
1494 1 69 HIS H 1 69 HIS HD2 . . 3.380 2.830 2.372 3.109 . 0 0 "[ . 1 . 2]" 1
1495 1 28 PHE QE 1 69 HIS HD2 . . 4.490 3.349 2.213 4.336 . 0 0 "[ . 1 . 2]" 1
1496 1 68 SER HA 1 69 HIS HD2 . . 4.080 3.317 2.744 3.680 . 0 0 "[ . 1 . 2]" 1
1497 1 69 HIS HB2 1 69 HIS HD2 . . 3.550 2.867 2.790 3.051 . 0 0 "[ . 1 . 2]" 1
1498 1 28 PHE QD 1 69 HIS HD2 . . 4.590 3.785 3.082 4.585 . 0 0 "[ . 1 . 2]" 1
1499 1 30 TYR H 1 42 TRP HE3 . . 4.850 4.671 4.433 4.849 . 0 0 "[ . 1 . 2]" 1
1500 1 42 TRP HA 1 42 TRP HE3 . . 3.980 3.395 3.305 3.496 . 0 0 "[ . 1 . 2]" 1
1501 1 23 LEU MD2 1 42 TRP HE3 . . 4.420 3.133 2.838 3.454 . 0 0 "[ . 1 . 2]" 1
1502 1 31 ARG H 1 42 TRP HE3 . . 4.210 3.279 3.022 3.519 . 0 0 "[ . 1 . 2]" 1
1503 1 42 TRP HE3 1 43 MET H . . 4.660 3.654 3.402 4.261 . 0 0 "[ . 1 . 2]" 1
1504 1 32 LYS H 1 42 TRP HE3 . . 4.050 2.805 2.499 3.125 . 0 0 "[ . 1 . 2]" 1
1505 1 23 LEU H 1 42 TRP HE3 . . 4.280 4.071 3.888 4.224 . 0 0 "[ . 1 . 2]" 1
1506 1 31 ARG HA 1 42 TRP HE3 . . 3.660 2.691 2.421 3.012 . 0 0 "[ . 1 . 2]" 1
1507 1 32 LYS HA 1 42 TRP HE3 . . 3.260 3.119 2.909 3.242 . 0 0 "[ . 1 . 2]" 1
1508 1 30 TYR HB2 1 42 TRP HE3 . . 3.820 2.996 2.830 3.141 . 0 0 "[ . 1 . 2]" 1
1509 1 42 TRP HB2 1 42 TRP HE3 . . 4.080 4.065 4.035 4.089 0.009 18 0 "[ . 1 . 2]" 1
1510 1 32 LYS HB2 1 42 TRP HE3 . . 4.850 3.837 3.625 3.974 . 0 0 "[ . 1 . 2]" 1
1511 1 23 LEU HB3 1 42 TRP HE3 . . 4.040 2.874 2.716 3.105 . 0 0 "[ . 1 . 2]" 1
1512 1 23 LEU HB2 1 42 TRP HE3 . . 4.440 3.379 3.087 3.671 . 0 0 "[ . 1 . 2]" 1
1513 1 61 HIS HB2 1 61 HIS HD2 . . 3.680 3.121 2.774 3.424 . 0 0 "[ . 1 . 2]" 1
1514 1 10 PRO HB3 1 61 HIS HD2 . . 4.530 3.383 2.827 4.422 . 0 0 "[ . 1 . 2]" 1
1515 1 8 LEU HG 1 61 HIS HD2 . . 4.820 4.499 3.785 4.817 . 0 0 "[ . 1 . 2]" 1
1516 1 25 HIS HD2 1 63 ILE MG . . 4.050 3.769 3.239 4.044 . 0 0 "[ . 1 . 2]" 1
1517 1 25 HIS HD2 1 65 VAL MG2 . . 3.450 2.631 2.367 3.172 . 0 0 "[ . 1 . 2]" 1
1518 1 25 HIS HD2 1 63 ILE MD . . 4.060 2.217 1.953 2.730 . 0 0 "[ . 1 . 2]" 1
1519 1 35 ALA HA 1 41 TYR QE . . 4.810 4.676 4.441 4.796 . 0 0 "[ . 1 . 2]" 1
1520 1 39 LYS HB2 1 41 TYR QE . . 3.510 3.284 2.885 3.510 . 0 0 "[ . 1 . 2]" 1
1521 1 36 ALA MB 1 41 TYR QE . . 2.960 2.185 1.879 2.713 . 0 0 "[ . 1 . 2]" 1
1522 1 41 TYR QE 1 57 ILE MD . . 3.260 2.718 2.274 3.246 . 0 0 "[ . 1 . 2]" 1
1523 1 29 LEU HA 1 30 TYR QE . . 3.980 3.863 3.692 3.974 . 0 0 "[ . 1 . 2]" 1
1524 1 30 TYR QE 1 44 CYS HA . . 4.600 4.157 3.981 4.308 . 0 0 "[ . 1 . 2]" 1
1525 1 25 HIS HB3 1 30 TYR QE . . 3.330 2.512 2.089 2.688 . 0 0 "[ . 1 . 2]" 1
1526 1 28 PHE HB2 1 30 TYR QE . . 3.490 2.277 2.110 2.526 . 0 0 "[ . 1 . 2]" 1
1527 1 23 LEU MD2 1 30 TYR QE . . 4.610 4.120 3.872 4.314 . 0 0 "[ . 1 . 2]" 1
1528 1 25 HIS H 1 30 TYR QE . . 3.500 2.630 2.406 2.843 . 0 0 "[ . 1 . 2]" 1
1529 1 28 PHE HA 1 30 TYR QE . . 4.620 4.486 4.262 4.613 . 0 0 "[ . 1 . 2]" 1
1530 1 30 TYR QE 1 54 SER HB3 . . 4.800 3.402 3.025 3.856 . 0 0 "[ . 1 . 2]" 1
1531 1 30 TYR QE 1 56 ALA MB . . 3.720 3.198 2.604 3.433 . 0 0 "[ . 1 . 2]" 1
1532 1 41 TYR QE 1 57 ILE MG . . 4.080 3.662 2.863 4.054 . 0 0 "[ . 1 . 2]" 1
1533 1 40 VAL HB 1 42 TRP HZ2 . . 3.890 3.673 3.371 3.862 . 0 0 "[ . 1 . 2]" 1
1534 1 40 VAL MG2 1 42 TRP HZ2 . . 4.310 3.852 3.636 3.987 . 0 0 "[ . 1 . 2]" 1
1535 1 40 VAL MG1 1 42 TRP HZ2 . . 3.240 2.822 2.458 3.009 . 0 0 "[ . 1 . 2]" 1
1536 1 23 LEU HB2 1 42 TRP HZ2 . . 4.770 4.099 3.830 4.343 . 0 0 "[ . 1 . 2]" 1
1537 1 54 SER HB3 1 69 HIS HE1 . . 3.900 2.746 2.338 3.351 . 0 0 "[ . 1 . 2]" 1
1538 1 44 CYS QB 1 69 HIS HE1 . . 3.360 3.007 2.822 3.193 . 0 0 "[ . 1 . 2]" 1
1539 1 44 CYS HA 1 69 HIS HE1 . . 4.080 3.984 3.820 4.080 0.000 16 0 "[ . 1 . 2]" 1
1540 1 30 TYR QE 1 69 HIS HE1 . . 4.010 2.155 2.024 2.492 . 0 0 "[ . 1 . 2]" 1
1541 1 25 HIS HE1 1 63 ILE MD . . 4.500 4.028 3.722 4.346 . 0 0 "[ . 1 . 2]" 1
1542 1 25 HIS HE1 1 63 ILE MG . . 3.720 2.865 2.458 3.535 . 0 0 "[ . 1 . 2]" 1
1543 1 25 HIS HE1 1 26 GLU HG3 . . 4.600 3.709 2.988 4.416 . 0 0 "[ . 1 . 2]" 1
1544 1 11 LEU HB3 1 61 HIS HE1 . . 4.820 3.940 3.493 4.804 . 0 0 "[ . 1 . 2]" 1
1545 1 10 PRO HB3 1 61 HIS HE1 . . 4.120 3.545 2.781 4.041 . 0 0 "[ . 1 . 2]" 1
1546 1 10 PRO HB2 1 61 HIS HE1 . . 4.090 3.134 2.345 4.083 . 0 0 "[ . 1 . 2]" 1
1547 1 10 PRO HA 1 61 HIS HE1 . . 4.360 3.600 3.146 4.092 . 0 0 "[ . 1 . 2]" 1
1548 1 28 PHE QD 1 71 HIS HE1 . . 3.180 2.563 2.040 2.818 . 0 0 "[ . 1 . 2]" 1
1549 1 28 PHE HB3 1 71 HIS HE1 . . 4.500 3.623 3.412 3.804 . 0 0 "[ . 1 . 2]" 1
1550 1 42 TRP HB3 1 42 TRP HE3 . . 3.250 2.497 2.469 2.523 . 0 0 "[ . 1 . 2]" 1
1551 1 28 PHE HB2 1 71 HIS HE1 . . 4.940 4.931 4.859 4.953 0.013 12 0 "[ . 1 . 2]" 1
1552 1 22 PHE QD 1 29 LEU MD2 . . 3.950 3.088 2.217 3.609 . 0 0 "[ . 1 . 2]" 1
1553 1 25 HIS HE1 1 65 VAL MG2 . . 3.750 3.574 3.313 3.749 . 0 0 "[ . 1 . 2]" 1
1554 1 28 PHE HB3 1 69 HIS HE1 . . 3.980 3.607 3.209 3.932 . 0 0 "[ . 1 . 2]" 1
1555 1 25 HIS HD2 1 26 GLU HG3 . . 5.060 4.410 3.313 5.027 . 0 0 "[ . 1 . 2]" 1
1556 1 11 LEU H 1 61 HIS HE1 . . 4.430 2.256 1.901 3.525 . 0 0 "[ . 1 . 2]" 1
1557 1 71 HIS HE1 1 73 PRO HA . . 4.950 4.672 4.223 4.948 . 0 0 "[ . 1 . 2]" 1
1558 1 30 TYR QD 1 42 TRP HB3 . . 3.990 3.596 3.450 3.706 . 0 0 "[ . 1 . 2]" 1
1559 1 7 GLY QA 1 8 LEU QB . . 4.550 3.940 3.575 4.369 . 0 0 "[ . 1 . 2]" 1
1560 1 7 GLY QA 1 8 LEU QD . . 5.440 4.409 3.017 5.099 . 0 0 "[ . 1 . 2]" 1
1561 1 8 LEU H 1 8 LEU QB . . 3.270 2.466 2.144 3.145 . 0 0 "[ . 1 . 2]" 1
1562 1 8 LEU H 1 8 LEU QD . . 4.720 3.303 1.844 3.944 . 0 0 "[ . 1 . 2]" 1
1563 1 8 LEU HA 1 8 LEU QD . . 3.420 2.655 2.043 3.364 . 0 0 "[ . 1 . 2]" 1
1564 1 8 LEU HA 1 9 ARG QB . . 4.720 4.288 4.072 4.533 . 0 0 "[ . 1 . 2]" 1
1565 1 8 LEU QB 1 9 ARG H . . 4.080 3.569 2.371 4.014 . 0 0 "[ . 1 . 2]" 1
1566 1 8 LEU QB 1 9 ARG HA . . 5.300 4.852 4.553 5.022 . 0 0 "[ . 1 . 2]" 1
1567 1 8 LEU QB 1 61 HIS HB3 . . 5.080 4.842 4.255 5.060 . 0 0 "[ . 1 . 2]" 1
1568 1 8 LEU QD 1 9 ARG H . . 4.190 3.232 2.392 4.006 . 0 0 "[ . 1 . 2]" 1
1569 1 8 LEU QD 1 60 GLY HA3 . . 5.440 4.150 3.309 4.523 . 0 0 "[ . 1 . 2]" 1
1570 1 8 LEU QD 1 61 HIS H . . 4.430 2.952 2.281 3.559 . 0 0 "[ . 1 . 2]" 1
1571 1 8 LEU QD 1 61 HIS HB2 . . 4.160 3.006 1.953 3.541 . 0 0 "[ . 1 . 2]" 1
1572 1 8 LEU QD 1 61 HIS HB3 . . 4.150 2.280 1.773 2.940 . 0 0 "[ . 1 . 2]" 1
1573 1 8 LEU QD 1 61 HIS HD2 . . 4.560 3.541 2.182 4.239 . 0 0 "[ . 1 . 2]" 1
1574 1 8 LEU QD 1 62 ARG H . . 4.410 3.344 2.812 4.156 . 0 0 "[ . 1 . 2]" 1
1575 1 8 LEU QD 1 62 ARG QB . . 4.430 3.104 1.810 4.231 . 0 0 "[ . 1 . 2]" 1
1576 1 8 LEU QD 1 62 ARG QD . . 4.190 2.787 1.784 4.157 . 0 0 "[ . 1 . 2]" 1
1577 1 9 ARG H 1 9 ARG QB . . 3.110 2.269 2.085 2.521 . 0 0 "[ . 1 . 2]" 1
1578 1 9 ARG HA 1 10 PRO QG . . 4.430 3.912 3.903 3.932 . 0 0 "[ . 1 . 2]" 1
1579 1 9 ARG QB 1 10 PRO HD2 . . 3.310 2.534 2.263 3.181 . 0 0 "[ . 1 . 2]" 1
1580 1 9 ARG QB 1 10 PRO HD3 . . 4.340 3.744 3.576 4.085 . 0 0 "[ . 1 . 2]" 1
1581 1 12 GLU H 1 12 GLU QG . . 4.300 4.022 3.692 4.112 . 0 0 "[ . 1 . 2]" 1
1582 1 12 GLU HA 1 12 GLU QG . . 3.240 2.538 2.091 3.007 . 0 0 "[ . 1 . 2]" 1
1583 1 12 GLU QG 1 24 VAL HB . . 4.070 2.432 1.999 3.918 . 0 0 "[ . 1 . 2]" 1
1584 1 12 GLU QG 1 24 VAL MG1 . . 4.410 3.102 2.714 4.107 . 0 0 "[ . 1 . 2]" 1
1585 1 12 GLU QG 1 24 VAL MG2 . . 4.650 2.498 2.024 4.058 . 0 0 "[ . 1 . 2]" 1
1586 1 14 LEU MD1 1 82 ARG QB . . 4.200 4.029 3.751 4.174 . 0 0 "[ . 1 . 2]" 1
1587 1 14 LEU MD1 1 82 ARG QG . . 3.550 2.221 1.938 2.795 . 0 0 "[ . 1 . 2]" 1
1588 1 14 LEU MD2 1 82 ARG QG . . 3.920 1.969 1.709 2.219 . 0 0 "[ . 1 . 2]" 1
1589 1 15 ARG H 1 15 ARG QB . . 3.300 2.534 2.165 3.143 . 0 0 "[ . 1 . 2]" 1
1590 1 15 ARG HA 1 21 ARG QB . . 4.730 4.041 2.917 4.548 . 0 0 "[ . 1 . 2]" 1
1591 1 15 ARG HA 1 21 ARG QD . . 5.120 3.543 2.033 5.121 0.001 1 0 "[ . 1 . 2]" 1
1592 1 15 ARG QB 1 15 ARG QD . . 3.150 2.213 2.001 2.563 . 0 0 "[ . 1 . 2]" 1
1593 1 15 ARG QB 1 16 THR H . . 4.070 3.156 2.712 3.799 . 0 0 "[ . 1 . 2]" 1
1594 1 15 ARG QG 1 21 ARG QD . . 4.430 3.482 1.853 4.417 . 0 0 "[ . 1 . 2]" 1
1595 1 16 THR H 1 20 GLY QA . . 4.790 4.075 3.069 4.789 . 0 0 "[ . 1 . 2]" 1
1596 1 16 THR MG 1 20 GLY QA . . 4.030 3.434 2.145 4.013 . 0 0 "[ . 1 . 2]" 1
1597 1 17 SER HA 1 18 LEU QD . . 4.690 4.135 3.292 4.609 . 0 0 "[ . 1 . 2]" 1
1598 1 17 SER QB 1 18 LEU QD . . 4.320 2.438 1.672 3.272 . 0 0 "[ . 1 . 2]" 1
1599 1 18 LEU HA 1 18 LEU QD . . 3.020 2.495 1.974 3.019 . 0 0 "[ . 1 . 2]" 1
1600 1 21 ARG H 1 21 ARG QB . . 3.700 2.500 2.283 2.799 . 0 0 "[ . 1 . 2]" 1
1601 1 21 ARG HA 1 21 ARG QD . . 4.380 3.074 2.144 4.160 . 0 0 "[ . 1 . 2]" 1
1602 1 21 ARG QB 1 21 ARG QD . . 3.140 2.350 2.036 2.854 . 0 0 "[ . 1 . 2]" 1
1603 1 21 ARG QB 1 21 ARG HE . . 4.500 2.986 1.838 4.366 . 0 0 "[ . 1 . 2]" 1
1604 1 21 ARG QB 1 42 TRP HZ3 . . 4.920 3.858 3.073 4.615 . 0 0 "[ . 1 . 2]" 1
1605 1 22 PHE QD 1 31 ARG QG . . 4.760 2.906 2.430 3.454 . 0 0 "[ . 1 . 2]" 1
1606 1 22 PHE QE 1 31 ARG QG . . 4.050 2.138 1.979 2.890 . 0 0 "[ . 1 . 2]" 1
1607 1 25 HIS HD2 1 26 GLU QG . . 4.410 4.016 3.270 4.406 . 0 0 "[ . 1 . 2]" 1
1608 1 25 HIS HE1 1 26 GLU QB . . 4.900 4.455 4.142 4.799 . 0 0 "[ . 1 . 2]" 1
1609 1 25 HIS HE1 1 26 GLU QG . . 3.770 2.721 2.294 3.204 . 0 0 "[ . 1 . 2]" 1
1610 1 26 GLU H 1 26 GLU QG . . 4.360 3.023 2.888 3.220 . 0 0 "[ . 1 . 2]" 1
1611 1 26 GLU HA 1 26 GLU QG . . 3.230 2.472 2.127 2.638 . 0 0 "[ . 1 . 2]" 1
1612 1 26 GLU QB 1 27 SER H . . 4.250 3.832 3.717 3.886 . 0 0 "[ . 1 . 2]" 1
1613 1 26 GLU QB 1 28 PHE H . . 4.000 3.626 3.413 3.846 . 0 0 "[ . 1 . 2]" 1
1614 1 26 GLU QB 1 28 PHE QD . . 3.930 2.481 2.297 3.214 . 0 0 "[ . 1 . 2]" 1
1615 1 26 GLU QG 1 27 SER H . . 5.090 4.724 4.565 4.860 . 0 0 "[ . 1 . 2]" 1
1616 1 26 GLU QG 1 65 VAL MG2 . . 5.340 3.192 2.872 3.511 . 0 0 "[ . 1 . 2]" 1
1617 1 27 SER QB 1 28 PHE H . . 3.970 3.779 3.640 3.966 . 0 0 "[ . 1 . 2]" 1
1618 1 27 SER QB 1 73 PRO HB2 . . 3.230 2.109 1.913 2.462 . 0 0 "[ . 1 . 2]" 1
1619 1 27 SER QB 1 73 PRO HB3 . . 3.270 2.146 1.976 2.439 . 0 0 "[ . 1 . 2]" 1
1620 1 27 SER QB 1 73 PRO QG . . 3.700 2.734 2.378 3.228 . 0 0 "[ . 1 . 2]" 1
1621 1 27 SER QB 1 75 LEU HG . . 4.890 4.285 3.824 4.894 0.004 14 0 "[ . 1 . 2]" 1
1622 1 27 SER QB 1 75 LEU MD1 . . 4.750 4.139 3.850 4.620 . 0 0 "[ . 1 . 2]" 1
1623 1 27 SER QB 1 78 LEU HB3 . . 5.170 5.004 4.801 5.144 . 0 0 "[ . 1 . 2]" 1
1624 1 27 SER QB 1 78 LEU MD1 . . 5.340 5.109 4.854 5.284 . 0 0 "[ . 1 . 2]" 1
1625 1 27 SER QB 1 78 LEU MD2 . . 3.610 3.378 3.157 3.511 . 0 0 "[ . 1 . 2]" 1
1626 1 28 PHE QD 1 73 PRO QG . . 5.050 4.779 3.878 4.976 . 0 0 "[ . 1 . 2]" 1
1627 1 28 PHE QE 1 73 PRO QG . . 4.230 3.853 2.364 4.096 . 0 0 "[ . 1 . 2]" 1
1628 1 30 TYR HB2 1 31 ARG QG . . 5.340 4.951 4.869 5.138 . 0 0 "[ . 1 . 2]" 1
1629 1 31 ARG H 1 31 ARG QG . . 3.490 2.492 2.127 2.791 . 0 0 "[ . 1 . 2]" 1
1630 1 31 ARG HA 1 31 ARG QG . . 3.720 2.670 2.498 2.764 . 0 0 "[ . 1 . 2]" 1
1631 1 31 ARG HB3 1 32 LYS QB . . 5.340 4.678 4.568 4.873 . 0 0 "[ . 1 . 2]" 1
1632 1 31 ARG QG 1 32 LYS H . . 4.940 4.428 4.274 4.539 . 0 0 "[ . 1 . 2]" 1
1633 1 31 ARG QG 1 43 MET HG2 . . 5.340 4.146 3.679 5.174 . 0 0 "[ . 1 . 2]" 1
1634 1 31 ARG QG 1 43 MET HG3 . . 4.780 3.341 2.911 3.985 . 0 0 "[ . 1 . 2]" 1
1635 1 31 ARG QG 1 45 ARG HA . . 4.170 2.046 1.952 2.358 . 0 0 "[ . 1 . 2]" 1
1636 1 31 ARG QG 1 45 ARG HB3 . . 4.210 2.326 2.126 2.554 . 0 0 "[ . 1 . 2]" 1
1637 1 31 ARG QG 1 45 ARG HD3 . . 5.340 4.232 3.940 4.465 . 0 0 "[ . 1 . 2]" 1
1638 1 32 LYS H 1 32 LYS QB . . 2.940 2.240 2.225 2.256 . 0 0 "[ . 1 . 2]" 1
1639 1 32 LYS QB 1 32 LYS QE . . 4.140 3.525 2.343 3.682 . 0 0 "[ . 1 . 2]" 1
1640 1 32 LYS QB 1 33 GLU H . . 3.920 3.887 3.811 3.920 . 0 0 "[ . 1 . 2]" 1
1641 1 32 LYS QB 1 40 VAL MG1 . . 4.180 3.205 2.884 3.487 . 0 0 "[ . 1 . 2]" 1
1642 1 32 LYS QB 1 42 TRP HA . . 5.030 4.631 4.464 4.825 . 0 0 "[ . 1 . 2]" 1
1643 1 32 LYS QB 1 42 TRP HE3 . . 4.100 3.685 3.498 3.791 . 0 0 "[ . 1 . 2]" 1
1644 1 32 LYS QB 1 42 TRP HZ3 . . 3.770 2.933 2.627 3.157 . 0 0 "[ . 1 . 2]" 1
1645 1 32 LYS QB 1 42 TRP HH2 . . 4.270 2.919 2.682 3.248 . 0 0 "[ . 1 . 2]" 1
1646 1 32 LYS QE 1 32 LYS HG2 . . 3.700 2.462 2.195 2.845 . 0 0 "[ . 1 . 2]" 1
1647 1 32 LYS QE 1 32 LYS HG3 . . 3.720 2.575 2.197 3.233 . 0 0 "[ . 1 . 2]" 1
1648 1 32 LYS QE 1 34 LYS H . . 4.880 4.644 4.213 4.876 . 0 0 "[ . 1 . 2]" 1
1649 1 32 LYS QE 1 34 LYS HA . . 4.530 3.709 3.185 4.226 . 0 0 "[ . 1 . 2]" 1
1650 1 32 LYS QE 1 35 ALA MB . . 3.580 2.779 2.175 3.553 . 0 0 "[ . 1 . 2]" 1
1651 1 32 LYS QE 1 40 VAL MG1 . . 3.680 2.787 2.047 3.623 . 0 0 "[ . 1 . 2]" 1
1652 1 33 GLU H 1 33 GLU QG . . 4.330 4.019 3.965 4.116 . 0 0 "[ . 1 . 2]" 1
1653 1 33 GLU HA 1 33 GLU QG . . 3.290 2.657 2.319 3.144 . 0 0 "[ . 1 . 2]" 1
1654 1 33 GLU HB2 1 34 LYS QG . . 4.720 4.247 3.968 4.479 . 0 0 "[ . 1 . 2]" 1
1655 1 33 GLU HB3 1 34 LYS QG . . 4.550 2.709 2.420 2.940 . 0 0 "[ . 1 . 2]" 1
1656 1 33 GLU QG 1 34 LYS H . . 4.130 3.408 3.091 4.075 . 0 0 "[ . 1 . 2]" 1
1657 1 33 GLU QG 1 34 LYS QG . . 3.670 2.605 2.049 3.522 . 0 0 "[ . 1 . 2]" 1
1658 1 33 GLU QG 1 41 TYR HB2 . . 4.660 4.004 3.604 4.658 . 0 0 "[ . 1 . 2]" 1
1659 1 34 LYS H 1 34 LYS QG . . 3.400 2.391 2.197 2.533 . 0 0 "[ . 1 . 2]" 1
1660 1 34 LYS H 1 34 LYS QD . . 4.450 4.191 3.284 4.451 0.001 20 0 "[ . 1 . 2]" 1
1661 1 34 LYS QB 1 34 LYS QD . . 3.080 2.214 2.034 2.602 . 0 0 "[ . 1 . 2]" 1
1662 1 34 LYS QB 1 35 ALA H . . 3.270 2.073 1.919 2.361 . 0 0 "[ . 1 . 2]" 1
1663 1 34 LYS QB 1 41 TYR H . . 5.030 4.636 4.399 4.827 . 0 0 "[ . 1 . 2]" 1
1664 1 34 LYS QB 1 41 TYR HB2 . . 4.780 3.889 3.634 4.109 . 0 0 "[ . 1 . 2]" 1
1665 1 34 LYS QE 1 34 LYS QG . . 3.140 2.221 2.078 2.558 . 0 0 "[ . 1 . 2]" 1
1666 1 34 LYS QG 1 35 ALA H . . 4.580 3.526 3.157 3.972 . 0 0 "[ . 1 . 2]" 1
1667 1 34 LYS QG 1 41 TYR H . . 4.730 3.336 2.862 3.947 . 0 0 "[ . 1 . 2]" 1
1668 1 34 LYS QG 1 41 TYR HB2 . . 3.450 2.012 1.820 2.241 . 0 0 "[ . 1 . 2]" 1
1669 1 34 LYS QG 1 41 TYR HB3 . . 3.790 3.091 2.719 3.379 . 0 0 "[ . 1 . 2]" 1
1670 1 34 LYS QG 1 41 TYR QD . . 3.330 2.886 2.161 3.313 . 0 0 "[ . 1 . 2]" 1
1671 1 34 LYS QD 1 41 TYR QD . . 4.390 3.666 2.225 4.391 0.001 16 0 "[ . 1 . 2]" 1
1672 1 34 LYS QE 1 36 ALA MB . . 4.700 3.878 2.866 4.625 . 0 0 "[ . 1 . 2]" 1
1673 1 34 LYS QE 1 41 TYR HB2 . . 5.340 3.821 3.068 4.923 . 0 0 "[ . 1 . 2]" 1
1674 1 34 LYS QE 1 41 TYR QD . . 4.080 3.370 2.374 4.081 0.001 6 0 "[ . 1 . 2]" 1
1675 1 34 LYS QE 1 41 TYR QE . . 4.150 3.520 3.054 4.153 0.003 19 0 "[ . 1 . 2]" 1
1676 1 37 GLY QA 1 39 LYS H . . 4.250 3.827 3.473 4.146 . 0 0 "[ . 1 . 2]" 1
1677 1 38 GLU HA 1 38 GLU QG . . 3.650 2.662 2.279 3.447 . 0 0 "[ . 1 . 2]" 1
1678 1 38 GLU QB 1 39 LYS H . . 4.060 3.394 2.796 3.883 . 0 0 "[ . 1 . 2]" 1
1679 1 39 LYS H 1 39 LYS QG . . 3.700 3.098 2.685 3.545 . 0 0 "[ . 1 . 2]" 1
1680 1 39 LYS HA 1 39 LYS QG . . 3.420 2.354 2.222 2.576 . 0 0 "[ . 1 . 2]" 1
1681 1 39 LYS HA 1 39 LYS QD . . 4.400 4.033 3.780 4.289 . 0 0 "[ . 1 . 2]" 1
1682 1 39 LYS HA 1 59 GLN QB . . 4.500 3.922 2.198 4.390 . 0 0 "[ . 1 . 2]" 1
1683 1 39 LYS HB2 1 39 LYS QD . . 3.650 2.677 2.160 3.139 . 0 0 "[ . 1 . 2]" 1
1684 1 39 LYS QE 1 39 LYS QG . . 3.100 2.354 2.090 2.599 . 0 0 "[ . 1 . 2]" 1
1685 1 39 LYS QG 1 40 VAL H . . 4.070 3.657 3.415 3.960 . 0 0 "[ . 1 . 2]" 1
1686 1 39 LYS QG 1 57 ILE MG . . 3.610 2.890 2.347 3.288 . 0 0 "[ . 1 . 2]" 1
1687 1 39 LYS QG 1 59 GLN QB . . 3.780 2.934 1.907 3.732 . 0 0 "[ . 1 . 2]" 1
1688 1 39 LYS QG 1 59 GLN QG . . 3.820 2.106 1.890 2.712 . 0 0 "[ . 1 . 2]" 1
1689 1 39 LYS QG 1 59 GLN QE . . 4.750 3.785 2.154 4.649 . 0 0 "[ . 1 . 2]" 1
1690 1 39 LYS QD 1 41 TYR QE . . 4.030 3.929 3.688 4.027 . 0 0 "[ . 1 . 2]" 1
1691 1 39 LYS QD 1 57 ILE MD . . 4.750 3.493 2.855 4.391 . 0 0 "[ . 1 . 2]" 1
1692 1 42 TRP H 1 55 ARG QG . . 5.340 4.429 2.706 5.341 0.001 13 0 "[ . 1 . 2]" 1
1693 1 43 MET HA 1 55 ARG QG . . 4.200 2.489 1.988 2.877 . 0 0 "[ . 1 . 2]" 1
1694 1 43 MET HB3 1 55 ARG QG . . 4.060 2.259 1.978 2.795 . 0 0 "[ . 1 . 2]" 1
1695 1 44 CYS H 1 55 ARG QG . . 4.400 3.920 3.387 4.389 . 0 0 "[ . 1 . 2]" 1
1696 1 44 CYS QB 1 47 GLN QB . . 4.560 3.575 3.029 4.492 . 0 0 "[ . 1 . 2]" 1
1697 1 45 ARG HG2 1 46 ASP QB . . 5.340 4.228 3.740 4.534 . 0 0 "[ . 1 . 2]" 1
1698 1 46 ASP H 1 46 ASP QB . . 3.200 2.671 2.350 2.893 . 0 0 "[ . 1 . 2]" 1
1699 1 46 ASP HA 1 49 ARG QB . . 4.640 2.842 2.114 4.520 . 0 0 "[ . 1 . 2]" 1
1700 1 46 ASP QB 1 49 ARG QB . . 4.520 3.090 2.218 4.376 . 0 0 "[ . 1 . 2]" 1
1701 1 46 ASP QB 1 50 LEU QB . . 3.530 2.137 1.884 2.692 . 0 0 "[ . 1 . 2]" 1
1702 1 46 ASP QB 1 50 LEU HG . . 3.690 2.173 1.893 2.454 . 0 0 "[ . 1 . 2]" 1
1703 1 46 ASP QB 1 50 LEU MD1 . . 3.470 2.189 1.895 2.581 . 0 0 "[ . 1 . 2]" 1
1704 1 46 ASP QB 1 50 LEU MD2 . . 4.210 3.667 3.308 3.848 . 0 0 "[ . 1 . 2]" 1
1705 1 47 GLN H 1 47 GLN QB . . 3.580 2.403 2.167 2.683 . 0 0 "[ . 1 . 2]" 1
1706 1 47 GLN H 1 47 GLN QG . . 4.300 2.789 1.941 4.073 . 0 0 "[ . 1 . 2]" 1
1707 1 47 GLN HA 1 47 GLN QG . . 3.530 3.203 2.454 3.496 . 0 0 "[ . 1 . 2]" 1
1708 1 47 GLN HA 1 47 GLN QE . . 4.880 4.339 1.888 4.808 . 0 0 "[ . 1 . 2]" 1
1709 1 47 GLN QG 1 48 ALA H . . 5.220 2.650 1.846 4.271 . 0 0 "[ . 1 . 2]" 1
1710 1 47 GLN QG 1 48 ALA HA . . 4.370 3.613 3.140 4.364 . 0 0 "[ . 1 . 2]" 1
1711 1 47 GLN QG 1 48 ALA MB . . 4.620 3.079 2.377 4.621 0.001 14 0 "[ . 1 . 2]" 1
1712 1 47 GLN QE 1 48 ALA MB . . 4.830 3.894 1.781 4.789 . 0 0 "[ . 1 . 2]" 1
1713 1 49 ARG HA 1 49 ARG QG . . 3.370 2.649 2.230 3.267 . 0 0 "[ . 1 . 2]" 1
1714 1 49 ARG HA 1 49 ARG QD . . 4.750 3.359 2.033 4.450 . 0 0 "[ . 1 . 2]" 1
1715 1 49 ARG QB 1 49 ARG QD . . 3.020 2.320 2.027 2.836 . 0 0 "[ . 1 . 2]" 1
1716 1 49 ARG QB 1 50 LEU HG . . 3.990 2.882 2.260 3.524 . 0 0 "[ . 1 . 2]" 1
1717 1 49 ARG QB 1 50 LEU MD1 . . 4.910 4.150 3.686 4.791 . 0 0 "[ . 1 . 2]" 1
1718 1 49 ARG QB 1 50 LEU MD2 . . 4.530 3.587 2.801 4.204 . 0 0 "[ . 1 . 2]" 1
1719 1 49 ARG QG 1 50 LEU HG . . 4.470 3.208 2.007 4.422 . 0 0 "[ . 1 . 2]" 1
1720 1 49 ARG QG 1 50 LEU MD1 . . 5.340 4.359 3.391 5.332 . 0 0 "[ . 1 . 2]" 1
1721 1 49 ARG QG 1 50 LEU MD2 . . 4.740 3.080 1.923 4.723 . 0 0 "[ . 1 . 2]" 1
1722 1 49 ARG QD 1 50 LEU MD2 . . 4.330 3.249 2.018 4.271 . 0 0 "[ . 1 . 2]" 1
1723 1 50 LEU QB 1 50 LEU MD1 . . 3.100 2.065 2.007 2.100 . 0 0 "[ . 1 . 2]" 1
1724 1 50 LEU QB 1 50 LEU MD2 . . 3.200 2.281 2.167 2.425 . 0 0 "[ . 1 . 2]" 1
1725 1 50 LEU QB 1 52 CYS H . . 4.250 3.215 2.482 3.722 . 0 0 "[ . 1 . 2]" 1
1726 1 50 LEU QB 1 52 CYS HB2 . . 4.040 2.771 2.427 3.591 . 0 0 "[ . 1 . 2]" 1
1727 1 50 LEU QB 1 71 HIS QB . . 4.690 2.839 2.159 3.351 . 0 0 "[ . 1 . 2]" 1
1728 1 50 LEU QB 1 71 HIS HD2 . . 4.270 2.475 2.108 2.948 . 0 0 "[ . 1 . 2]" 1
1729 1 50 LEU MD2 1 71 HIS QB . . 4.740 3.284 2.780 4.110 . 0 0 "[ . 1 . 2]" 1
1730 1 52 CYS HA 1 53 ARG QG . . 4.720 3.881 3.181 4.688 . 0 0 "[ . 1 . 2]" 1
1731 1 52 CYS HA 1 70 CYS QB . . 4.780 3.624 3.057 4.165 . 0 0 "[ . 1 . 2]" 1
1732 1 53 ARG H 1 53 ARG QB . . 3.610 2.694 2.390 3.190 . 0 0 "[ . 1 . 2]" 1
1733 1 53 ARG HA 1 53 ARG QG . . 3.530 2.999 2.319 3.449 . 0 0 "[ . 1 . 2]" 1
1734 1 53 ARG QB 1 53 ARG QD . . 2.970 2.431 2.098 2.892 . 0 0 "[ . 1 . 2]" 1
1735 1 53 ARG QB 1 54 SER H . . 4.010 3.708 3.394 3.976 . 0 0 "[ . 1 . 2]" 1
1736 1 54 SER H 1 67 ARG QB . . 4.660 4.255 3.736 4.632 . 0 0 "[ . 1 . 2]" 1
1737 1 54 SER HA 1 67 ARG QB . . 3.230 2.027 1.836 2.348 . 0 0 "[ . 1 . 2]" 1
1738 1 54 SER HA 1 67 ARG QG . . 4.780 3.778 1.966 4.506 . 0 0 "[ . 1 . 2]" 1
1739 1 55 ARG H 1 55 ARG QG . . 4.640 3.482 2.697 3.991 . 0 0 "[ . 1 . 2]" 1
1740 1 55 ARG H 1 67 ARG QB . . 3.690 2.409 1.881 2.894 . 0 0 "[ . 1 . 2]" 1
1741 1 55 ARG H 1 67 ARG QG . . 4.980 4.136 3.385 4.966 . 0 0 "[ . 1 . 2]" 1
1742 1 55 ARG HA 1 55 ARG QG . . 3.330 2.301 2.218 2.419 . 0 0 "[ . 1 . 2]" 1
1743 1 55 ARG QG 1 56 ALA H . . 4.560 3.463 2.073 4.161 . 0 0 "[ . 1 . 2]" 1
1744 1 56 ALA HA 1 64 MET QB . . 5.340 4.449 3.922 4.793 . 0 0 "[ . 1 . 2]" 1
1745 1 56 ALA HA 1 66 MET QG . . 3.720 2.422 1.991 2.768 . 0 0 "[ . 1 . 2]" 1
1746 1 56 ALA MB 1 64 MET QB . . 4.610 4.301 4.105 4.535 . 0 0 "[ . 1 . 2]" 1
1747 1 56 ALA MB 1 66 MET QG . . 4.760 3.891 3.510 4.214 . 0 0 "[ . 1 . 2]" 1
1748 1 57 ILE H 1 64 MET QB . . 3.840 2.748 2.234 2.955 . 0 0 "[ . 1 . 2]" 1
1749 1 57 ILE H 1 64 MET QG . . 5.340 3.936 2.864 4.893 . 0 0 "[ . 1 . 2]" 1
1750 1 57 ILE H 1 66 MET QG . . 4.500 3.666 3.332 3.886 . 0 0 "[ . 1 . 2]" 1
1751 1 57 ILE HA 1 64 MET QB . . 4.850 4.460 4.154 4.717 . 0 0 "[ . 1 . 2]" 1
1752 1 57 ILE HB 1 64 MET QB . . 3.940 2.410 2.015 2.721 . 0 0 "[ . 1 . 2]" 1
1753 1 57 ILE HB 1 64 MET QG . . 4.540 3.644 2.747 4.465 . 0 0 "[ . 1 . 2]" 1
1754 1 57 ILE HB 1 66 MET QG . . 5.340 4.203 3.539 4.686 . 0 0 "[ . 1 . 2]" 1
1755 1 57 ILE MG 1 59 GLN QB . . 4.880 3.553 3.274 4.156 . 0 0 "[ . 1 . 2]" 1
1756 1 57 ILE MG 1 64 MET QB . . 4.080 3.206 2.785 3.446 . 0 0 "[ . 1 . 2]" 1
1757 1 57 ILE MG 1 64 MET QG . . 4.400 4.231 3.656 4.397 . 0 0 "[ . 1 . 2]" 1
1758 1 57 ILE MG 1 66 MET QG . . 5.340 5.125 4.562 5.336 . 0 0 "[ . 1 . 2]" 1
1759 1 57 ILE MD 1 64 MET QB . . 4.120 3.886 3.300 4.112 . 0 0 "[ . 1 . 2]" 1
1760 1 57 ILE MD 1 66 MET QG . . 3.620 3.250 2.343 3.610 . 0 0 "[ . 1 . 2]" 1
1761 1 58 THR H 1 59 GLN QB . . 5.340 5.169 4.889 5.342 0.002 16 0 "[ . 1 . 2]" 1
1762 1 58 THR H 1 64 MET QB . . 5.340 5.035 4.860 5.244 . 0 0 "[ . 1 . 2]" 1
1763 1 58 THR HA 1 59 GLN QB . . 4.940 4.024 3.861 4.596 . 0 0 "[ . 1 . 2]" 1
1764 1 58 THR HA 1 64 MET QB . . 5.340 4.325 4.021 4.647 . 0 0 "[ . 1 . 2]" 1
1765 1 59 GLN QB 1 59 GLN QE . . 4.070 2.855 1.898 3.571 . 0 0 "[ . 1 . 2]" 1
1766 1 62 ARG H 1 62 ARG QG . . 3.280 2.878 2.344 3.258 . 0 0 "[ . 1 . 2]" 1
1767 1 62 ARG HA 1 62 ARG QG . . 3.630 2.560 2.213 3.277 . 0 0 "[ . 1 . 2]" 1
1768 1 62 ARG QG 1 63 ILE H . . 4.090 3.595 2.360 4.089 . 0 0 "[ . 1 . 2]" 1
1769 1 64 MET H 1 64 MET QB . . 3.200 2.603 2.524 2.663 . 0 0 "[ . 1 . 2]" 1
1770 1 64 MET H 1 64 MET QG . . 4.240 3.806 3.174 4.232 . 0 0 "[ . 1 . 2]" 1
1771 1 64 MET HA 1 64 MET QG . . 3.530 2.422 2.196 2.684 . 0 0 "[ . 1 . 2]" 1
1772 1 64 MET QB 1 65 VAL H . . 3.550 3.222 2.687 3.550 . 0 0 "[ . 1 . 2]" 1
1773 1 64 MET QB 1 65 VAL MG2 . . 5.340 4.654 4.345 5.088 . 0 0 "[ . 1 . 2]" 1
1774 1 64 MET QG 1 65 VAL H . . 3.940 2.854 1.904 3.910 . 0 0 "[ . 1 . 2]" 1
1775 1 64 MET QG 1 65 VAL MG2 . . 5.340 4.604 4.032 5.194 . 0 0 "[ . 1 . 2]" 1
1776 1 65 VAL HA 1 66 MET QG . . 4.580 3.495 3.283 4.010 . 0 0 "[ . 1 . 2]" 1
1777 1 65 VAL MG1 1 66 MET QG . . 5.340 4.147 3.931 4.532 . 0 0 "[ . 1 . 2]" 1
1778 1 66 MET H 1 66 MET QG . . 3.300 2.452 2.073 3.045 . 0 0 "[ . 1 . 2]" 1
1779 1 66 MET QG 1 67 ARG H . . 4.600 3.689 3.478 4.221 . 0 0 "[ . 1 . 2]" 1
1780 1 67 ARG H 1 67 ARG QB . . 3.360 2.396 2.184 2.744 . 0 0 "[ . 1 . 2]" 1
1781 1 67 ARG H 1 67 ARG QG . . 4.740 3.566 3.030 4.140 . 0 0 "[ . 1 . 2]" 1
1782 1 67 ARG HA 1 67 ARG QG . . 3.630 2.324 2.129 3.109 . 0 0 "[ . 1 . 2]" 1
1783 1 68 SER QB 1 69 HIS H . . 3.170 2.215 1.922 3.053 . 0 0 "[ . 1 . 2]" 1
1784 1 68 SER QB 1 69 HIS HD2 . . 4.420 4.284 4.028 4.416 . 0 0 "[ . 1 . 2]" 1
1785 1 70 CYS H 1 70 CYS QB . . 3.450 2.351 2.276 2.661 . 0 0 "[ . 1 . 2]" 1
1786 1 71 HIS H 1 71 HIS QB . . 3.370 3.137 3.063 3.201 . 0 0 "[ . 1 . 2]" 1
1787 1 71 HIS HA 1 72 GLN QG . . 4.840 3.991 3.180 4.788 . 0 0 "[ . 1 . 2]" 1
1788 1 71 HIS QB 1 72 GLN H . . 3.440 2.413 2.032 2.868 . 0 0 "[ . 1 . 2]" 1
1789 1 72 GLN H 1 72 GLN QB . . 3.450 2.524 2.195 2.839 . 0 0 "[ . 1 . 2]" 1
1790 1 72 GLN H 1 72 GLN QG . . 3.880 2.560 1.846 3.579 . 0 0 "[ . 1 . 2]" 1
1791 1 72 GLN HA 1 72 GLN QG . . 3.560 2.847 2.208 3.341 . 0 0 "[ . 1 . 2]" 1
1792 1 72 GLN QB 1 73 PRO QG . . 4.280 3.593 3.475 3.722 . 0 0 "[ . 1 . 2]" 1
1793 1 72 GLN QB 1 73 PRO HD2 . . 3.120 2.044 1.974 2.137 . 0 0 "[ . 1 . 2]" 1
1794 1 72 GLN QB 1 73 PRO HD3 . . 3.620 3.377 3.268 3.473 . 0 0 "[ . 1 . 2]" 1
1795 1 72 GLN QG 1 73 PRO HD2 . . 4.010 3.458 2.443 4.012 0.002 12 0 "[ . 1 . 2]" 1
1796 1 72 GLN QG 1 73 PRO HD3 . . 5.340 4.330 3.346 4.939 . 0 0 "[ . 1 . 2]" 1
1797 1 73 PRO QG 1 74 ASP H . . 4.590 4.371 4.175 4.555 . 0 0 "[ . 1 . 2]" 1
1798 1 78 LEU MD1 1 82 ARG QG . . 3.940 3.242 2.528 3.882 . 0 0 "[ . 1 . 2]" 1
1799 1 80 ALA HA 1 83 GLN QG . . 3.790 3.285 2.423 3.755 . 0 0 "[ . 1 . 2]" 1
1800 1 81 LEU HA 1 84 ARG QB . . 4.160 3.597 2.137 4.156 . 0 0 "[ . 1 . 2]" 1
1801 1 81 LEU HA 1 84 ARG QG . . 3.870 2.604 2.006 3.340 . 0 0 "[ . 1 . 2]" 1
1802 1 82 ARG H 1 82 ARG QB . . 3.310 2.408 2.160 2.770 . 0 0 "[ . 1 . 2]" 1
1803 1 82 ARG H 1 82 ARG QG . . 3.400 2.442 1.834 3.290 . 0 0 "[ . 1 . 2]" 1
1804 1 82 ARG H 1 84 ARG QG . . 5.340 4.693 4.106 5.239 . 0 0 "[ . 1 . 2]" 1
1805 1 82 ARG HA 1 82 ARG QG . . 2.980 2.440 2.235 2.649 . 0 0 "[ . 1 . 2]" 1
1806 1 82 ARG QB 1 82 ARG QD . . 3.050 2.194 2.023 2.576 . 0 0 "[ . 1 . 2]" 1
1807 1 82 ARG QB 1 82 ARG HE . . 4.390 3.117 1.877 4.301 . 0 0 "[ . 1 . 2]" 1
1808 1 82 ARG QB 1 83 GLN H . . 3.430 2.751 2.201 3.107 . 0 0 "[ . 1 . 2]" 1
1809 1 82 ARG QB 1 84 ARG H . . 5.340 4.691 4.231 5.168 . 0 0 "[ . 1 . 2]" 1
1810 1 83 GLN H 1 83 GLN QG . . 3.710 3.194 2.745 3.711 0.001 17 0 "[ . 1 . 2]" 1
1811 1 83 GLN H 1 84 ARG QG . . 5.200 4.026 3.405 4.558 . 0 0 "[ . 1 . 2]" 1
1812 1 83 GLN HA 1 83 GLN QG . . 3.440 3.245 2.740 3.442 0.002 6 0 "[ . 1 . 2]" 1
1813 1 83 GLN HA 1 86 ARG QB . . 5.340 4.189 2.532 5.333 . 0 0 "[ . 1 . 2]" 1
1814 1 83 GLN QG 1 84 ARG H . . 4.520 2.481 1.865 3.222 . 0 0 "[ . 1 . 2]" 1
1815 1 83 GLN QG 1 84 ARG HA . . 4.980 3.135 2.866 3.493 . 0 0 "[ . 1 . 2]" 1
1816 1 84 ARG H 1 84 ARG QB . . 3.380 2.503 2.256 2.721 . 0 0 "[ . 1 . 2]" 1
1817 1 84 ARG H 1 84 ARG QG . . 3.660 2.268 1.922 2.678 . 0 0 "[ . 1 . 2]" 1
1818 1 84 ARG HA 1 84 ARG QG . . 3.530 2.905 2.278 3.444 . 0 0 "[ . 1 . 2]" 1
1819 1 84 ARG QB 1 84 ARG QD . . 3.350 2.184 1.990 2.715 . 0 0 "[ . 1 . 2]" 1
1820 1 84 ARG QB 1 85 GLU H . . 3.820 3.224 2.181 3.816 . 0 0 "[ . 1 . 2]" 1
1821 1 85 GLU H 1 85 GLU QG . . 3.650 3.130 1.969 3.651 0.001 19 0 "[ . 1 . 2]" 1
1822 1 85 GLU QB 1 86 ARG H . . 3.890 2.606 2.065 3.309 . 0 0 "[ . 1 . 2]" 1
1823 1 85 GLU QG 1 86 ARG H . . 4.660 3.770 2.192 4.445 . 0 0 "[ . 1 . 2]" 1
1824 1 86 ARG H 1 86 ARG QB . . 3.170 2.604 2.263 3.164 . 0 0 "[ . 1 . 2]" 1
1825 1 86 ARG H 1 86 ARG QG . . 3.510 2.380 1.922 3.336 . 0 0 "[ . 1 . 2]" 1
1826 1 86 ARG QB 1 86 ARG QD . . 3.500 2.369 2.057 2.769 . 0 0 "[ . 1 . 2]" 1
1827 1 86 ARG QG 1 87 LEU H . . 5.060 4.057 3.148 4.939 . 0 0 "[ . 1 . 2]" 1
1828 1 87 LEU H 1 87 LEU QD . . 4.390 3.107 1.875 3.843 . 0 0 "[ . 1 . 2]" 1
1829 1 87 LEU HA 1 87 LEU QD . . 3.430 2.515 1.893 3.420 . 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 12
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.020
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0003
_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 44 CYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 16 0 "[ . 1 . 2]"
1 69 HIS 0.001 0.001 16 0 "[ . 1 . 2]"
1 71 HIS 0.001 0.001 16 0 "[ . 1 . 2]"
2 1 ZN 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 44 CYS SG 2 1 ZN ZN . 2.190 2.390 2.332 2.219 2.389 . 0 0 "[ . 1 . 2]" 2
2 1 44 CYS CB 2 1 ZN ZN . 3.250 3.510 3.368 3.254 3.490 . 0 0 "[ . 1 . 2]" 2
3 1 52 CYS SG 2 1 ZN ZN . 2.190 2.390 2.361 2.281 2.387 . 0 0 "[ . 1 . 2]" 2
4 1 52 CYS CB 2 1 ZN ZN . 3.250 3.510 3.468 3.403 3.508 . 0 0 "[ . 1 . 2]" 2
5 1 69 HIS ND1 2 1 ZN ZN . . 2.100 2.091 2.050 2.099 . 0 0 "[ . 1 . 2]" 2
6 1 71 HIS NE2 2 1 ZN ZN . . 2.300 2.115 2.097 2.279 . 0 0 "[ . 1 . 2]" 2
7 1 44 CYS SG 1 52 CYS SG . 3.680 3.960 3.794 3.695 3.959 . 0 0 "[ . 1 . 2]" 2
8 1 44 CYS SG 1 69 HIS ND1 . 3.320 3.980 3.457 3.326 3.689 . 0 0 "[ . 1 . 2]" 2
9 1 44 CYS SG 1 71 HIS NE2 . 3.150 3.450 3.242 3.165 3.450 0.000 16 0 "[ . 1 . 2]" 2
10 1 52 CYS SG 1 69 HIS ND1 . 3.580 3.880 3.602 3.580 3.652 0.000 16 0 "[ . 1 . 2]" 2
11 1 52 CYS SG 1 71 HIS NE2 . 3.260 3.560 3.305 3.261 3.500 . 0 0 "[ . 1 . 2]" 2
12 1 69 HIS ND1 1 71 HIS NE2 . 4.000 4.300 4.016 3.999 4.037 0.001 16 0 "[ . 1 . 2]" 2
stop_
save_
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