NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507870 |
2ene   |
10173 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ene
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 12
_Distance_constraint_stats_list.Viol_count 16
_Distance_constraint_stats_list.Viol_total 0.338
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
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 15 CYS 0.005 0.001 20 0 "[ . 1 . 2]"
1 18 CYS 0.010 0.005 16 0 "[ . 1 . 2]"
1 31 HIS 0.011 0.005 16 0 "[ . 1 . 2]"
1 35 HIS 0.003 0.001 20 0 "[ . 1 . 2]"
2 1 ZN 0.004 0.001 18 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.340 2.230 2.391 0.001 12 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.340 3.249 3.482 0.001 13 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.295 2.190 2.391 0.001 18 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.403 3.293 3.509 . 0 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.058 1.944 2.101 0.001 12 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.059 1.938 2.099 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.696 3.565 3.948 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.604 3.348 3.721 0.001 4 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.610 3.319 3.721 0.001 20 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.365 3.315 3.506 0.005 16 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.575 3.356 3.719 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.505 3.261 3.601 0.001 10 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 471
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 6.234
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 GLU 0.001 0.000 9 0 "[ . 1 . 2]"
1 11 LYS 0.022 0.020 16 0 "[ . 1 . 2]"
1 12 PRO 0.026 0.009 20 0 "[ . 1 . 2]"
1 13 TYR 0.013 0.003 20 0 "[ . 1 . 2]"
1 14 LYS 0.007 0.002 14 0 "[ . 1 . 2]"
1 15 CYS 0.016 0.007 20 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 14 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.001 10 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 14 0 "[ . 1 . 2]"
1 20 LYS 0.050 0.013 13 0 "[ . 1 . 2]"
1 21 VAL 0.034 0.020 16 0 "[ . 1 . 2]"
1 22 PHE 0.011 0.009 20 0 "[ . 1 . 2]"
1 23 ARG 0.010 0.009 20 0 "[ . 1 . 2]"
1 24 HIS 0.009 0.009 20 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.002 0.002 4 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 4 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.076 0.039 20 0 "[ . 1 . 2]"
1 31 HIS 0.064 0.039 20 0 "[ . 1 . 2]"
1 32 GLN 0.002 0.001 4 0 "[ . 1 . 2]"
1 33 ARG 0.030 0.011 10 0 "[ . 1 . 2]"
1 34 ILE 0.054 0.018 20 0 "[ . 1 . 2]"
1 35 HIS 0.002 0.001 10 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 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 0.056 0.056 15 0 "[ . 1 . 2]"
1 40 PRO 0.056 0.056 15 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 36 THR H 1 37 GLY H . . 4.830 3.660 2.399 4.639 . 0 0 "[ . 1 . 2]" 2
2 1 35 HIS HB3 1 36 THR H . . 4.800 3.474 2.853 4.477 . 0 0 "[ . 1 . 2]" 2
3 1 35 HIS HB2 1 36 THR H . . 4.680 2.553 2.064 4.235 . 0 0 "[ . 1 . 2]" 2
4 1 15 CYS H 1 20 LYS H . . 4.700 4.296 3.553 4.707 0.007 20 0 "[ . 1 . 2]" 2
5 1 19 GLY H 1 20 LYS H . . 3.610 2.298 1.817 2.639 . 0 0 "[ . 1 . 2]" 2
6 1 20 LYS H 1 22 PHE QE . . 4.800 4.573 4.080 4.789 . 0 0 "[ . 1 . 2]" 2
7 1 18 CYS HA 1 20 LYS H . . 5.300 4.793 4.534 5.208 . 0 0 "[ . 1 . 2]" 2
8 1 10 GLU HA 1 11 LYS H . . 3.300 2.554 2.138 3.300 0.000 9 0 "[ . 1 . 2]" 2
9 1 34 ILE HA 1 36 THR H . . 5.500 4.900 3.470 5.496 . 0 0 "[ . 1 . 2]" 2
10 1 15 CYS HB3 1 20 LYS H . . 3.460 2.738 1.904 3.281 . 0 0 "[ . 1 . 2]" 2
11 1 15 CYS HB2 1 20 LYS H . . 4.970 4.155 3.322 4.877 . 0 0 "[ . 1 . 2]" 2
12 1 11 LYS H 1 11 LYS HB2 . . 3.870 2.497 2.177 2.900 . 0 0 "[ . 1 . 2]" 2
13 1 20 LYS H 1 20 LYS HB2 . . 3.230 2.293 2.177 2.374 . 0 0 "[ . 1 . 2]" 2
14 1 20 LYS H 1 20 LYS HB3 . . 3.570 3.549 3.486 3.583 0.013 13 0 "[ . 1 . 2]" 2
15 1 27 TYR H 1 28 LEU H . . 3.380 2.641 2.279 2.855 . 0 0 "[ . 1 . 2]" 2
16 1 28 LEU H 1 29 SER QB . . 4.730 4.500 4.279 4.730 . 0 0 "[ . 1 . 2]" 2
17 1 25 ASN HA 1 28 LEU H . . 3.910 3.200 2.993 3.449 . 0 0 "[ . 1 . 2]" 2
18 1 27 TYR HB3 1 28 LEU H . . 4.210 3.727 3.420 4.041 . 0 0 "[ . 1 . 2]" 2
19 1 28 LEU H 1 28 LEU HB3 . . 3.320 2.351 2.258 2.467 . 0 0 "[ . 1 . 2]" 2
20 1 28 LEU H 1 28 LEU HG . . 4.590 4.369 4.282 4.455 . 0 0 "[ . 1 . 2]" 2
21 1 28 LEU H 1 28 LEU HB2 . . 3.430 2.688 2.575 2.786 . 0 0 "[ . 1 . 2]" 2
22 1 28 LEU H 1 28 LEU MD2 . . 5.030 4.196 4.145 4.280 . 0 0 "[ . 1 . 2]" 2
23 1 27 TYR H 1 27 TYR QD . . 3.920 3.022 2.536 3.189 . 0 0 "[ . 1 . 2]" 2
24 1 27 TYR H 1 27 TYR HB3 . . 4.040 3.594 3.571 3.645 . 0 0 "[ . 1 . 2]" 2
25 1 24 HIS HB3 1 27 TYR H . . 3.940 2.794 2.501 2.963 . 0 0 "[ . 1 . 2]" 2
26 1 24 HIS HB2 1 27 TYR H . . 4.620 4.517 4.255 4.619 . 0 0 "[ . 1 . 2]" 2
27 1 24 HIS HA 1 27 TYR H . . 5.360 4.990 4.732 5.225 . 0 0 "[ . 1 . 2]" 2
28 1 17 GLU H 1 19 GLY H . . 3.970 3.767 3.254 3.970 . 14 0 "[ . 1 . 2]" 2
29 1 17 GLU H 1 18 CYS H . . 3.160 2.536 2.030 2.915 . 0 0 "[ . 1 . 2]" 2
30 1 16 ASN QB 1 17 GLU H . . 3.610 3.147 2.675 3.609 . 0 0 "[ . 1 . 2]" 2
31 1 17 GLU H 1 17 GLU HG3 . . 4.180 3.451 2.279 3.951 . 0 0 "[ . 1 . 2]" 2
32 1 17 GLU H 1 17 GLU HG2 . . 4.180 3.078 2.153 4.034 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 17 GLU QB . . 3.010 2.377 2.237 2.484 . 0 0 "[ . 1 . 2]" 2
34 1 38 GLU H 1 38 GLU HG2 . . 5.500 3.933 2.448 5.000 . 0 0 "[ . 1 . 2]" 2
35 1 38 GLU H 1 38 GLU HG3 . . 5.500 3.969 2.191 5.274 . 0 0 "[ . 1 . 2]" 2
36 1 22 PHE H 1 23 ARG H . . 5.500 4.420 4.353 4.452 . 0 0 "[ . 1 . 2]" 2
37 1 22 PHE H 1 22 PHE QD . . 3.520 2.490 2.217 2.695 . 0 0 "[ . 1 . 2]" 2
38 1 13 TYR QD 1 22 PHE H . . 5.380 5.234 5.051 5.381 0.001 4 0 "[ . 1 . 2]" 2
39 1 22 PHE H 1 22 PHE QE . . 4.790 4.632 4.392 4.789 . 0 0 "[ . 1 . 2]" 2
40 1 14 LYS HA 1 22 PHE H . . 4.130 3.132 2.758 3.494 . 0 0 "[ . 1 . 2]" 2
41 1 22 PHE H 1 22 PHE HB2 . . 4.100 2.830 2.731 2.938 . 0 0 "[ . 1 . 2]" 2
42 1 13 TYR HB2 1 22 PHE H . . 4.200 3.466 3.257 3.716 . 0 0 "[ . 1 . 2]" 2
43 1 22 PHE H 1 22 PHE HB3 . . 3.970 3.876 3.823 3.925 . 0 0 "[ . 1 . 2]" 2
44 1 10 GLU H 1 10 GLU HG2 . . 5.500 4.011 1.927 5.174 . 0 0 "[ . 1 . 2]" 2
45 1 10 GLU H 1 10 GLU HG3 . . 5.500 3.733 2.154 4.908 . 0 0 "[ . 1 . 2]" 2
46 1 21 VAL HB 1 22 PHE H . . 3.790 3.694 3.517 3.789 . 0 0 "[ . 1 . 2]" 2
47 1 21 VAL MG1 1 22 PHE H . . 4.260 2.005 1.882 2.173 . 0 0 "[ . 1 . 2]" 2
48 1 22 PHE H 1 28 LEU MD1 . . 5.010 4.332 4.036 4.686 . 0 0 "[ . 1 . 2]" 2
49 1 22 PHE H 1 28 LEU MD2 . . 5.490 4.669 4.218 5.021 . 0 0 "[ . 1 . 2]" 2
50 1 13 TYR H 1 22 PHE H . . 4.630 4.418 4.211 4.553 . 0 0 "[ . 1 . 2]" 2
51 1 13 TYR H 1 13 TYR QD . . 3.520 2.799 2.566 2.944 . 0 0 "[ . 1 . 2]" 2
52 1 13 TYR H 1 13 TYR HB2 . . 3.390 2.630 2.567 2.701 . 0 0 "[ . 1 . 2]" 2
53 1 12 PRO HB2 1 13 TYR H . . 4.120 3.808 3.712 3.874 . 0 0 "[ . 1 . 2]" 2
54 1 12 PRO HG2 1 13 TYR H . . 4.510 3.064 2.904 3.176 . 0 0 "[ . 1 . 2]" 2
55 1 12 PRO HG3 1 13 TYR H . . 4.510 4.402 4.280 4.488 . 0 0 "[ . 1 . 2]" 2
56 1 29 SER H 1 30 ARG H . . 3.610 2.879 2.736 3.170 . 0 0 "[ . 1 . 2]" 2
57 1 30 ARG H 1 31 HIS H . . 3.380 2.718 2.577 2.933 . 0 0 "[ . 1 . 2]" 2
58 1 29 SER QB 1 30 ARG H . . 3.470 2.363 2.121 2.518 . 0 0 "[ . 1 . 2]" 2
59 1 30 ARG H 1 30 ARG QD . . 4.020 3.643 2.184 4.019 . 0 0 "[ . 1 . 2]" 2
60 1 30 ARG H 1 30 ARG QB . . 2.970 2.328 2.170 2.584 . 0 0 "[ . 1 . 2]" 2
61 1 30 ARG H 1 30 ARG HG3 . . 4.240 3.220 1.962 4.120 . 0 0 "[ . 1 . 2]" 2
62 1 27 TYR HA 1 30 ARG H . . 3.970 3.740 3.354 3.972 0.002 4 0 "[ . 1 . 2]" 2
63 1 31 HIS H 1 32 GLN H . . 3.470 2.664 2.446 2.889 . 0 0 "[ . 1 . 2]" 2
64 1 31 HIS H 1 33 ARG H . . 4.830 3.856 3.616 4.013 . 0 0 "[ . 1 . 2]" 2
65 1 31 HIS H 1 31 HIS HD2 . . 4.730 4.614 4.358 4.717 . 0 0 "[ . 1 . 2]" 2
66 1 31 HIS H 1 31 HIS HB3 . . 3.230 2.236 2.199 2.303 . 0 0 "[ . 1 . 2]" 2
67 1 31 HIS H 1 31 HIS HB2 . . 3.230 2.970 2.874 3.175 . 0 0 "[ . 1 . 2]" 2
68 1 30 ARG QB 1 31 HIS H . . 3.620 3.112 2.544 3.659 0.039 20 0 "[ . 1 . 2]" 2
69 1 28 LEU MD1 1 31 HIS H . . 4.590 4.365 4.177 4.588 . 0 0 "[ . 1 . 2]" 2
70 1 35 HIS H 1 36 THR H . . 3.770 2.609 2.289 3.142 . 0 0 "[ . 1 . 2]" 2
71 1 33 ARG HA 1 35 HIS H . . 4.640 3.719 3.552 3.982 . 0 0 "[ . 1 . 2]" 2
72 1 35 HIS H 1 35 HIS HB3 . . 3.840 3.630 3.557 3.680 . 0 0 "[ . 1 . 2]" 2
73 1 35 HIS H 1 35 HIS HB2 . . 3.590 2.470 2.280 2.643 . 0 0 "[ . 1 . 2]" 2
74 1 35 HIS H 1 35 HIS HD2 . . 4.280 3.578 2.865 3.867 . 0 0 "[ . 1 . 2]" 2
75 1 32 GLN HA 1 35 HIS H . . 4.380 3.513 3.186 3.678 . 0 0 "[ . 1 . 2]" 2
76 1 34 ILE HB 1 35 HIS H . . 4.250 4.063 3.926 4.145 . 0 0 "[ . 1 . 2]" 2
77 1 34 ILE HG12 1 35 HIS H . . 4.760 3.114 2.419 3.408 . 0 0 "[ . 1 . 2]" 2
78 1 34 ILE HG13 1 35 HIS H . . 4.760 2.355 2.210 2.662 . 0 0 "[ . 1 . 2]" 2
79 1 33 ARG H 1 34 ILE H . . 3.550 2.926 2.829 3.013 . 0 0 "[ . 1 . 2]" 2
80 1 30 ARG HA 1 33 ARG H . . 4.330 3.996 3.863 4.257 . 0 0 "[ . 1 . 2]" 2
81 1 33 ARG H 1 33 ARG HG2 . . 3.840 2.309 1.900 2.802 . 0 0 "[ . 1 . 2]" 2
82 1 15 CYS H 1 22 PHE H . . 4.730 4.522 4.219 4.695 . 0 0 "[ . 1 . 2]" 2
83 1 15 CYS H 1 19 GLY H . . 4.860 4.486 4.080 4.799 . 0 0 "[ . 1 . 2]" 2
84 1 15 CYS H 1 22 PHE QD . . 4.640 3.446 3.081 3.942 . 0 0 "[ . 1 . 2]" 2
85 1 15 CYS H 1 22 PHE QE . . 4.330 3.305 2.561 3.715 . 0 0 "[ . 1 . 2]" 2
86 1 14 LYS HA 1 15 CYS H . . 3.020 2.177 2.141 2.266 . 0 0 "[ . 1 . 2]" 2
87 1 15 CYS H 1 15 CYS HB3 . . 3.340 2.638 2.501 2.797 . 0 0 "[ . 1 . 2]" 2
88 1 15 CYS H 1 15 CYS HB2 . . 3.410 2.458 2.286 2.702 . 0 0 "[ . 1 . 2]" 2
89 1 14 LYS HB2 1 15 CYS H . . 4.460 4.060 3.820 4.303 . 0 0 "[ . 1 . 2]" 2
90 1 14 LYS HB3 1 15 CYS H . . 4.460 4.210 4.024 4.354 . 0 0 "[ . 1 . 2]" 2
91 1 14 LYS HG3 1 15 CYS H . . 3.880 3.160 2.610 3.776 . 0 0 "[ . 1 . 2]" 2
92 1 14 LYS HG2 1 15 CYS H . . 3.870 2.850 2.341 3.259 . 0 0 "[ . 1 . 2]" 2
93 1 15 CYS H 1 21 VAL MG2 . . 4.580 3.830 3.512 4.164 . 0 0 "[ . 1 . 2]" 2
94 1 34 ILE H 1 35 HIS H . . 3.420 2.791 2.562 2.898 . 0 0 "[ . 1 . 2]" 2
95 1 32 GLN HA 1 34 ILE H . . 4.430 4.239 3.785 4.430 . 0 0 "[ . 1 . 2]" 2
96 1 33 ARG QD 1 34 ILE H . . 5.500 4.902 3.929 5.256 . 0 0 "[ . 1 . 2]" 2
97 1 34 ILE H 1 35 HIS HB2 . . 5.500 5.060 4.569 5.277 . 0 0 "[ . 1 . 2]" 2
98 1 21 VAL H 1 21 VAL HB . . 3.620 2.810 2.623 3.205 . 0 0 "[ . 1 . 2]" 2
99 1 33 ARG HB3 1 34 ILE H . . 4.610 3.555 3.367 3.786 . 0 0 "[ . 1 . 2]" 2
100 1 33 ARG HG3 1 34 ILE H . . 4.670 4.165 2.159 4.648 . 0 0 "[ . 1 . 2]" 2
101 1 33 ARG HG2 1 34 ILE H . . 4.670 4.188 2.060 4.674 0.004 14 0 "[ . 1 . 2]" 2
102 1 34 ILE H 1 34 ILE HG12 . . 4.030 2.543 2.425 2.661 . 0 0 "[ . 1 . 2]" 2
103 1 34 ILE H 1 34 ILE HG13 . . 4.030 3.254 2.939 3.597 . 0 0 "[ . 1 . 2]" 2
104 1 34 ILE H 1 34 ILE MD . . 4.130 3.976 3.849 4.069 . 0 0 "[ . 1 . 2]" 2
105 1 21 VAL H 1 22 PHE H . . 4.820 4.457 4.301 4.546 . 0 0 "[ . 1 . 2]" 2
106 1 20 LYS H 1 21 VAL H . . 4.700 4.597 4.484 4.650 . 0 0 "[ . 1 . 2]" 2
107 1 20 LYS HB3 1 21 VAL H . . 3.820 2.653 2.066 3.253 . 0 0 "[ . 1 . 2]" 2
108 1 20 LYS HG2 1 21 VAL H . . 4.810 3.610 3.275 4.200 . 0 0 "[ . 1 . 2]" 2
109 1 21 VAL H 1 21 VAL MG2 . . 4.110 2.607 2.356 2.836 . 0 0 "[ . 1 . 2]" 2
110 1 32 GLN H 1 33 ARG H . . 3.560 2.887 2.785 2.965 . 0 0 "[ . 1 . 2]" 2
111 1 31 HIS HD2 1 32 GLN H . . 4.210 2.930 2.567 3.441 . 0 0 "[ . 1 . 2]" 2
112 1 29 SER HA 1 32 GLN H . . 4.080 3.627 3.301 3.886 . 0 0 "[ . 1 . 2]" 2
113 1 31 HIS HB3 1 32 GLN H . . 4.020 2.486 2.286 2.647 . 0 0 "[ . 1 . 2]" 2
114 1 31 HIS HB2 1 32 GLN H . . 4.020 3.856 3.695 3.989 . 0 0 "[ . 1 . 2]" 2
115 1 32 GLN H 1 32 GLN QG . . 3.360 2.313 2.067 2.610 . 0 0 "[ . 1 . 2]" 2
116 1 32 GLN H 1 32 GLN HB2 . . 3.750 2.495 2.353 2.706 . 0 0 "[ . 1 . 2]" 2
117 1 28 LEU MD1 1 32 GLN H . . 4.380 3.305 2.835 3.570 . 0 0 "[ . 1 . 2]" 2
118 1 28 LEU H 1 29 SER H . . 3.430 2.782 2.547 3.011 . 0 0 "[ . 1 . 2]" 2
119 1 29 SER H 1 29 SER QB . . 3.190 2.245 2.138 2.403 . 0 0 "[ . 1 . 2]" 2
120 1 25 ASN HA 1 29 SER H . . 4.360 3.904 3.550 4.282 . 0 0 "[ . 1 . 2]" 2
121 1 28 LEU HB3 1 29 SER H . . 3.560 2.512 2.280 2.934 . 0 0 "[ . 1 . 2]" 2
122 1 28 LEU HB2 1 29 SER H . . 4.180 3.896 3.747 4.156 . 0 0 "[ . 1 . 2]" 2
123 1 16 ASN HA 1 18 CYS H . . 4.690 4.430 4.034 4.689 . 0 0 "[ . 1 . 2]" 2
124 1 18 CYS H 1 19 GLY HA2 . . 4.450 4.243 4.061 4.419 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS HB3 1 18 CYS H . . 3.760 3.239 2.853 3.490 . 0 0 "[ . 1 . 2]" 2
126 1 18 CYS H 1 18 CYS HB2 . . 4.200 3.741 3.675 3.839 . 0 0 "[ . 1 . 2]" 2
127 1 17 GLU QB 1 18 CYS H . . 3.310 2.508 2.238 2.809 . 0 0 "[ . 1 . 2]" 2
128 1 14 LYS H 1 15 CYS H . . 4.670 4.310 4.199 4.486 . 0 0 "[ . 1 . 2]" 2
129 1 13 TYR H 1 14 LYS H . . 4.260 4.102 4.009 4.233 . 0 0 "[ . 1 . 2]" 2
130 1 13 TYR QD 1 14 LYS H . . 4.590 4.544 4.383 4.591 0.001 4 0 "[ . 1 . 2]" 2
131 1 13 TYR HA 1 14 LYS H . . 2.870 2.164 2.139 2.193 . 0 0 "[ . 1 . 2]" 2
132 1 13 TYR HB3 1 14 LYS H . . 3.900 3.745 3.566 3.877 . 0 0 "[ . 1 . 2]" 2
133 1 14 LYS H 1 14 LYS HB2 . . 3.820 3.329 3.027 3.475 . 0 0 "[ . 1 . 2]" 2
134 1 14 LYS H 1 14 LYS HB3 . . 3.820 2.661 2.478 2.859 . 0 0 "[ . 1 . 2]" 2
135 1 28 LEU HG 1 29 SER H . . 4.010 3.277 2.942 3.608 . 0 0 "[ . 1 . 2]" 2
136 1 14 LYS H 1 28 LEU MD2 . . 3.830 3.421 2.800 3.795 . 0 0 "[ . 1 . 2]" 2
137 1 28 LEU MD2 1 29 SER H . . 4.370 4.018 3.701 4.358 . 0 0 "[ . 1 . 2]" 2
138 1 18 CYS H 1 19 GLY H . . 2.880 2.065 1.891 2.189 . 0 0 "[ . 1 . 2]" 2
139 1 15 CYS HB3 1 19 GLY H . . 3.730 2.371 1.964 2.649 . 0 0 "[ . 1 . 2]" 2
140 1 17 GLU QB 1 19 GLY H . . 4.600 4.301 4.118 4.506 . 0 0 "[ . 1 . 2]" 2
141 1 19 GLY H 1 20 LYS HB2 . . 4.890 3.923 3.678 4.059 . 0 0 "[ . 1 . 2]" 2
142 1 22 PHE HB2 1 24 HIS H . . 4.190 3.972 2.769 4.199 0.009 20 0 "[ . 1 . 2]" 2
143 1 22 PHE HB3 1 24 HIS H . . 4.390 3.293 2.777 3.590 . 0 0 "[ . 1 . 2]" 2
144 1 24 HIS H 1 24 HIS HB2 . . 4.090 2.689 2.465 3.254 . 0 0 "[ . 1 . 2]" 2
145 1 23 ARG QB 1 24 HIS H . . 4.120 2.484 2.175 3.782 . 0 0 "[ . 1 . 2]" 2
146 1 38 GLU H 1 39 LYS H . . 4.730 4.164 3.131 4.647 . 0 0 "[ . 1 . 2]" 2
147 1 38 GLU HA 1 39 LYS H . . 3.160 2.275 2.138 2.749 . 0 0 "[ . 1 . 2]" 2
148 1 39 LYS H 1 39 LYS QG . . 4.480 3.154 1.882 4.146 . 0 0 "[ . 1 . 2]" 2
149 1 15 CYS HA 1 32 GLN HE21 . . 4.880 3.328 2.230 4.558 . 0 0 "[ . 1 . 2]" 2
150 1 15 CYS HA 1 32 GLN HE22 . . 4.880 4.074 2.355 4.881 0.001 4 0 "[ . 1 . 2]" 2
151 1 28 LEU MD1 1 32 GLN HE21 . . 4.670 2.861 1.888 3.925 . 0 0 "[ . 1 . 2]" 2
152 1 28 LEU MD1 1 32 GLN HE22 . . 4.670 3.866 2.728 4.557 . 0 0 "[ . 1 . 2]" 2
153 1 15 CYS H 1 28 LEU MD1 . . 4.170 3.144 2.817 3.426 . 0 0 "[ . 1 . 2]" 2
154 1 28 LEU H 1 28 LEU MD1 . . 4.640 4.179 4.100 4.279 . 0 0 "[ . 1 . 2]" 2
155 1 28 LEU MD1 1 31 HIS HD2 . . 3.450 2.397 2.065 3.037 . 0 0 "[ . 1 . 2]" 2
156 1 14 LYS HA 1 28 LEU MD1 . . 4.630 3.786 3.368 4.129 . 0 0 "[ . 1 . 2]" 2
157 1 15 CYS HA 1 28 LEU MD1 . . 3.430 2.588 2.065 3.203 . 0 0 "[ . 1 . 2]" 2
158 1 28 LEU MD1 1 29 SER HA . . 4.720 4.313 4.005 4.659 . 0 0 "[ . 1 . 2]" 2
159 1 22 PHE HB2 1 28 LEU MD1 . . 4.660 3.663 3.201 4.012 . 0 0 "[ . 1 . 2]" 2
160 1 28 LEU HB2 1 28 LEU MD1 . . 3.590 2.335 2.248 2.498 . 0 0 "[ . 1 . 2]" 2
161 1 15 CYS H 1 21 VAL MG1 . . 4.580 4.368 3.969 4.558 . 0 0 "[ . 1 . 2]" 2
162 1 23 ARG QB 1 24 HIS HD2 . . 5.280 5.165 4.902 5.281 0.001 8 0 "[ . 1 . 2]" 2
163 1 21 VAL H 1 21 VAL MG1 . . 4.110 3.914 3.836 4.025 . 0 0 "[ . 1 . 2]" 2
164 1 14 LYS HA 1 21 VAL MG1 . . 4.140 2.726 2.316 2.972 . 0 0 "[ . 1 . 2]" 2
165 1 14 LYS HB2 1 21 VAL MG1 . . 4.760 2.428 2.009 2.954 . 0 0 "[ . 1 . 2]" 2
166 1 14 LYS QD 1 19 GLY HA2 . . 4.570 4.313 3.625 4.569 . 0 0 "[ . 1 . 2]" 2
167 1 14 LYS HB3 1 21 VAL MG1 . . 4.760 3.908 3.493 4.360 . 0 0 "[ . 1 . 2]" 2
168 1 14 LYS HG3 1 21 VAL MG1 . . 3.840 3.490 2.440 3.793 . 0 0 "[ . 1 . 2]" 2
169 1 14 LYS HG3 1 19 GLY HA2 . . 4.530 3.964 3.403 4.489 . 0 0 "[ . 1 . 2]" 2
170 1 36 THR H 1 36 THR MG . . 4.040 2.340 1.902 3.004 . 0 0 "[ . 1 . 2]" 2
171 1 33 ARG HA 1 36 THR MG . . 4.140 3.038 1.900 4.122 . 0 0 "[ . 1 . 2]" 2
172 1 35 HIS HB2 1 36 THR MG . . 4.510 3.397 2.532 4.201 . 0 0 "[ . 1 . 2]" 2
173 1 27 TYR HA 1 27 TYR QE . . 4.720 4.481 4.359 4.628 . 0 0 "[ . 1 . 2]" 2
174 1 24 HIS HB3 1 27 TYR QE . . 4.660 2.984 2.492 3.782 . 0 0 "[ . 1 . 2]" 2
175 1 24 HIS HB2 1 27 TYR QE . . 4.670 2.619 2.023 3.754 . 0 0 "[ . 1 . 2]" 2
176 1 23 ARG QB 1 27 TYR QE . . 4.190 3.708 3.239 4.154 . 0 0 "[ . 1 . 2]" 2
177 1 13 TYR H 1 13 TYR QE . . 4.860 4.754 4.574 4.858 . 0 0 "[ . 1 . 2]" 2
178 1 13 TYR QE 1 25 ASN HA . . 4.560 4.065 3.633 4.409 . 0 0 "[ . 1 . 2]" 2
179 1 13 TYR QE 1 25 ASN HB3 . . 4.570 3.379 2.021 4.566 . 0 0 "[ . 1 . 2]" 2
180 1 13 TYR QE 1 28 LEU MD2 . . 4.740 4.442 4.016 4.732 . 0 0 "[ . 1 . 2]" 2
181 1 21 VAL MG2 1 22 PHE H . . 4.260 3.991 3.850 4.207 . 0 0 "[ . 1 . 2]" 2
182 1 14 LYS HA 1 21 VAL MG2 . . 4.140 3.178 2.950 3.435 . 0 0 "[ . 1 . 2]" 2
183 1 22 PHE HB2 1 28 LEU HB2 . . 4.760 2.545 2.133 2.873 . 0 0 "[ . 1 . 2]" 2
184 1 22 PHE HB2 1 28 LEU MD2 . . 5.500 3.930 3.298 4.199 . 0 0 "[ . 1 . 2]" 2
185 1 22 PHE HB3 1 28 LEU MD1 . . 5.120 4.757 4.174 5.092 . 0 0 "[ . 1 . 2]" 2
186 1 27 TYR QD 1 30 ARG QD . . 5.020 3.354 2.048 4.986 . 0 0 "[ . 1 . 2]" 2
187 1 27 TYR HA 1 30 ARG QD . . 4.530 2.875 1.978 4.520 . 0 0 "[ . 1 . 2]" 2
188 1 29 SER QB 1 30 ARG QD . . 5.500 4.833 3.055 5.486 . 0 0 "[ . 1 . 2]" 2
189 1 33 ARG H 1 33 ARG QD . . 4.250 3.842 3.298 4.117 . 0 0 "[ . 1 . 2]" 2
190 1 23 ARG QB 1 23 ARG QD . . 3.120 2.152 2.064 2.241 . 0 0 "[ . 1 . 2]" 2
191 1 23 ARG QD 1 27 TYR QE . . 4.720 4.447 3.949 4.719 . 0 0 "[ . 1 . 2]" 2
192 1 23 ARG HA 1 23 ARG QD . . 4.270 3.848 3.120 4.211 . 0 0 "[ . 1 . 2]" 2
193 1 18 CYS HA 1 35 HIS HE1 . . 4.380 4.004 3.349 4.381 0.001 10 0 "[ . 1 . 2]" 2
194 1 18 CYS HB3 1 35 HIS HE1 . . 3.840 2.103 2.000 2.245 . 0 0 "[ . 1 . 2]" 2
195 1 18 CYS HB2 1 35 HIS HE1 . . 3.840 3.694 3.326 3.841 0.001 10 0 "[ . 1 . 2]" 2
196 1 17 GLU QB 1 35 HIS HE1 . . 4.470 3.293 2.291 3.945 . 0 0 "[ . 1 . 2]" 2
197 1 31 HIS HE1 1 34 ILE MG . . 4.310 4.229 4.067 4.314 0.004 10 0 "[ . 1 . 2]" 2
198 1 11 LYS H 1 11 LYS QE . . 5.270 3.997 2.429 5.234 . 0 0 "[ . 1 . 2]" 2
199 1 14 LYS QE 1 19 GLY H . . 5.500 4.696 4.069 5.215 . 0 0 "[ . 1 . 2]" 2
200 1 22 PHE HZ 1 31 HIS HE1 . . 4.890 3.814 3.266 4.142 . 0 0 "[ . 1 . 2]" 2
201 1 11 LYS HA 1 11 LYS QE . . 4.130 3.507 1.986 4.129 . 0 0 "[ . 1 . 2]" 2
202 1 14 LYS QE 1 19 GLY HA3 . . 3.950 3.508 3.173 3.814 . 0 0 "[ . 1 . 2]" 2
203 1 14 LYS QE 1 19 GLY HA2 . . 3.720 2.587 2.083 3.162 . 0 0 "[ . 1 . 2]" 2
204 1 14 LYS QE 1 14 LYS HG2 . . 3.570 2.490 2.116 2.882 . 0 0 "[ . 1 . 2]" 2
205 1 24 HIS HE1 1 26 SER HB2 . . 4.940 3.539 2.777 4.861 . 0 0 "[ . 1 . 2]" 2
206 1 24 HIS HE1 1 26 SER HB3 . . 4.940 4.163 3.007 4.929 . 0 0 "[ . 1 . 2]" 2
207 1 34 ILE H 1 34 ILE MG . . 3.350 1.936 1.857 2.043 . 0 0 "[ . 1 . 2]" 2
208 1 34 ILE MG 1 35 HIS H . . 4.240 3.915 3.736 3.992 . 0 0 "[ . 1 . 2]" 2
209 1 33 ARG H 1 34 ILE MG . . 4.880 4.205 3.954 4.335 . 0 0 "[ . 1 . 2]" 2
210 1 31 HIS HA 1 34 ILE MG . . 4.200 3.199 2.677 3.662 . 0 0 "[ . 1 . 2]" 2
211 1 34 ILE HA 1 34 ILE MG . . 3.210 2.424 2.377 2.480 . 0 0 "[ . 1 . 2]" 2
212 1 13 TYR HB3 1 28 LEU HB3 . . 4.400 3.764 3.523 4.008 . 0 0 "[ . 1 . 2]" 2
213 1 13 TYR HB3 1 28 LEU HB2 . . 4.230 3.216 2.826 3.633 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE HB3 1 28 LEU HB2 . . 4.480 3.785 2.943 4.162 . 0 0 "[ . 1 . 2]" 2
215 1 28 LEU HB3 1 28 LEU MD2 . . 3.450 2.297 2.180 2.482 . 0 0 "[ . 1 . 2]" 2
216 1 12 PRO HA 1 13 TYR H . . 3.440 3.380 3.350 3.421 . 0 0 "[ . 1 . 2]" 2
217 1 31 HIS HE1 1 34 ILE MD . . 3.380 2.113 1.973 2.394 . 0 0 "[ . 1 . 2]" 2
218 1 12 PRO HA 1 13 TYR QD . . 5.090 5.038 4.936 5.093 0.003 15 0 "[ . 1 . 2]" 2
219 1 34 ILE HA 1 34 ILE MD . . 4.130 4.103 4.070 4.148 0.018 20 0 "[ . 1 . 2]" 2
220 1 34 ILE HB 1 34 ILE MD . . 3.330 2.215 2.099 2.302 . 0 0 "[ . 1 . 2]" 2
221 1 34 ILE HA 1 34 ILE HG12 . . 4.130 3.894 3.807 3.930 . 0 0 "[ . 1 . 2]" 2
222 1 34 ILE HA 1 34 ILE HG13 . . 4.130 3.570 3.552 3.609 . 0 0 "[ . 1 . 2]" 2
223 1 16 ASN QB 1 17 GLU HA . . 4.480 4.043 3.875 4.273 . 0 0 "[ . 1 . 2]" 2
224 1 13 TYR HB3 1 22 PHE H . . 4.690 4.154 3.814 4.579 . 0 0 "[ . 1 . 2]" 2
225 1 13 TYR H 1 13 TYR HB3 . . 3.980 3.763 3.728 3.807 . 0 0 "[ . 1 . 2]" 2
226 1 13 TYR HB2 1 22 PHE QD . . 4.760 4.580 4.139 4.755 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR QE 1 25 ASN HB2 . . 4.570 2.759 1.997 3.886 . 0 0 "[ . 1 . 2]" 2
228 1 13 TYR HB2 1 25 ASN HA . . 4.960 4.349 4.034 4.844 . 0 0 "[ . 1 . 2]" 2
229 1 13 TYR HB3 1 22 PHE HB2 . . 4.900 3.555 3.000 4.011 . 0 0 "[ . 1 . 2]" 2
230 1 13 TYR HB2 1 22 PHE HB2 . . 4.660 3.368 2.983 3.781 . 0 0 "[ . 1 . 2]" 2
231 1 12 PRO HB2 1 13 TYR HB2 . . 5.500 5.356 5.239 5.484 . 0 0 "[ . 1 . 2]" 2
232 1 13 TYR HB2 1 28 LEU HB3 . . 5.500 5.025 4.718 5.456 . 0 0 "[ . 1 . 2]" 2
233 1 13 TYR HB2 1 28 LEU HB2 . . 4.470 4.202 3.905 4.454 . 0 0 "[ . 1 . 2]" 2
234 1 13 TYR HB2 1 28 LEU MD2 . . 3.940 3.678 3.406 3.922 . 0 0 "[ . 1 . 2]" 2
235 1 29 SER QB 1 30 ARG QB . . 4.780 4.084 3.777 4.571 . 0 0 "[ . 1 . 2]" 2
236 1 36 THR HA 1 36 THR MG . . 3.420 2.593 2.197 3.205 . 0 0 "[ . 1 . 2]" 2
237 1 34 ILE H 1 34 ILE HB . . 3.780 3.608 3.591 3.620 . 0 0 "[ . 1 . 2]" 2
238 1 27 TYR HB2 1 28 LEU H . . 4.210 2.585 2.279 2.900 . 0 0 "[ . 1 . 2]" 2
239 1 27 TYR H 1 27 TYR HB2 . . 4.040 2.594 2.465 2.733 . 0 0 "[ . 1 . 2]" 2
240 1 22 PHE HB3 1 27 TYR HB2 . . 4.420 2.811 2.178 3.528 . 0 0 "[ . 1 . 2]" 2
241 1 22 PHE HB3 1 27 TYR HB3 . . 4.420 3.834 3.242 4.419 . 0 0 "[ . 1 . 2]" 2
242 1 28 LEU HG 1 29 SER HA . . 4.470 3.309 3.095 3.533 . 0 0 "[ . 1 . 2]" 2
243 1 28 LEU MD2 1 29 SER HA . . 5.500 4.533 4.159 4.940 . 0 0 "[ . 1 . 2]" 2
244 1 14 LYS HB2 1 21 VAL MG2 . . 4.760 2.573 2.148 3.553 . 0 0 "[ . 1 . 2]" 2
245 1 14 LYS HB3 1 21 VAL MG2 . . 4.760 3.904 3.615 4.443 . 0 0 "[ . 1 . 2]" 2
246 1 17 GLU HG3 1 35 HIS HB3 . . 5.120 3.299 2.121 4.938 . 0 0 "[ . 1 . 2]" 2
247 1 17 GLU HG2 1 35 HIS HB3 . . 5.120 3.871 2.015 4.948 . 0 0 "[ . 1 . 2]" 2
248 1 13 TYR HA 1 13 TYR QD . . 3.540 2.896 2.833 3.007 . 0 0 "[ . 1 . 2]" 2
249 1 12 PRO HD3 1 13 TYR QD . . 4.690 4.498 4.295 4.628 . 0 0 "[ . 1 . 2]" 2
250 1 12 PRO HB2 1 13 TYR QD . . 5.010 3.873 3.740 3.951 . 0 0 "[ . 1 . 2]" 2
251 1 13 TYR QD 1 28 LEU HB3 . . 5.500 4.259 3.840 4.635 . 0 0 "[ . 1 . 2]" 2
252 1 12 PRO HG2 1 13 TYR QD . . 4.780 2.159 2.037 2.223 . 0 0 "[ . 1 . 2]" 2
253 1 12 PRO HG3 1 13 TYR QD . . 4.780 3.815 3.707 3.867 . 0 0 "[ . 1 . 2]" 2
254 1 12 PRO HB3 1 13 TYR QD . . 4.940 4.908 4.827 4.943 0.003 20 0 "[ . 1 . 2]" 2
255 1 13 TYR QD 1 28 LEU MD2 . . 3.660 2.681 2.373 3.016 . 0 0 "[ . 1 . 2]" 2
256 1 31 HIS HD2 1 32 GLN QG . . 3.860 2.749 2.141 3.174 . 0 0 "[ . 1 . 2]" 2
257 1 28 LEU HG 1 32 GLN QG . . 4.080 2.666 2.071 3.480 . 0 0 "[ . 1 . 2]" 2
258 1 28 LEU MD1 1 32 GLN QG . . 3.570 2.231 1.851 2.502 . 0 0 "[ . 1 . 2]" 2
259 1 29 SER HA 1 32 GLN QG . . 4.230 3.233 2.661 4.170 . 0 0 "[ . 1 . 2]" 2
260 1 31 HIS HD2 1 32 GLN HA . . 3.980 3.239 2.743 3.550 . 0 0 "[ . 1 . 2]" 2
261 1 32 GLN HA 1 35 HIS HD2 . . 3.510 2.055 2.001 2.173 . 0 0 "[ . 1 . 2]" 2
262 1 32 GLN HA 1 32 GLN QG . . 3.490 2.359 2.172 2.609 . 0 0 "[ . 1 . 2]" 2
263 1 23 ARG H 1 27 TYR QD . . 5.500 3.577 2.992 4.155 . 0 0 "[ . 1 . 2]" 2
264 1 14 LYS HA 1 22 PHE QD . . 4.750 3.351 2.831 3.868 . 0 0 "[ . 1 . 2]" 2
265 1 30 ARG HA 1 33 ARG QD . . 3.770 3.035 2.110 3.769 . 0 0 "[ . 1 . 2]" 2
266 1 15 CYS HB2 1 22 PHE QD . . 4.080 3.878 3.650 4.076 . 0 0 "[ . 1 . 2]" 2
267 1 24 HIS HB3 1 27 TYR QD . . 3.910 2.478 2.021 2.977 . 0 0 "[ . 1 . 2]" 2
268 1 22 PHE QD 1 28 LEU HB3 . . 4.960 4.689 4.276 4.954 . 0 0 "[ . 1 . 2]" 2
269 1 30 ARG HA 1 30 ARG HG2 . . 3.960 3.258 2.400 3.851 . 0 0 "[ . 1 . 2]" 2
270 1 22 PHE QD 1 28 LEU HB2 . . 3.990 3.152 2.654 3.476 . 0 0 "[ . 1 . 2]" 2
271 1 22 PHE QD 1 28 LEU MD1 . . 3.460 2.455 2.062 2.832 . 0 0 "[ . 1 . 2]" 2
272 1 31 HIS HA 1 33 ARG H . . 4.750 3.710 3.528 4.063 . 0 0 "[ . 1 . 2]" 2
273 1 31 HIS HA 1 31 HIS HD2 . . 4.830 4.702 4.528 4.816 . 0 0 "[ . 1 . 2]" 2
274 1 27 TYR HA 1 27 TYR QD . . 3.490 2.261 2.034 2.692 . 0 0 "[ . 1 . 2]" 2
275 1 24 HIS HB2 1 27 TYR QD . . 4.350 3.018 2.565 3.572 . 0 0 "[ . 1 . 2]" 2
276 1 23 ARG QB 1 27 TYR QD . . 4.020 3.543 3.210 3.964 . 0 0 "[ . 1 . 2]" 2
277 1 31 HIS HA 1 34 ILE MD . . 4.970 4.623 4.200 4.912 . 0 0 "[ . 1 . 2]" 2
278 1 17 GLU HA 1 18 CYS HA . . 5.140 4.554 4.523 4.584 . 0 0 "[ . 1 . 2]" 2
279 1 18 CYS HA 1 19 GLY HA3 . . 5.500 4.539 4.519 4.576 . 0 0 "[ . 1 . 2]" 2
280 1 17 GLU HA 1 17 GLU HG3 . . 4.100 3.319 2.413 3.765 . 0 0 "[ . 1 . 2]" 2
281 1 17 GLU HA 1 17 GLU HG2 . . 4.100 2.899 2.279 3.689 . 0 0 "[ . 1 . 2]" 2
282 1 33 ARG HA 1 36 THR H . . 4.740 3.539 3.132 4.738 . 0 0 "[ . 1 . 2]" 2
283 1 20 LYS HA 1 21 VAL H . . 2.910 2.356 2.172 2.594 . 0 0 "[ . 1 . 2]" 2
284 1 20 LYS HB2 1 21 VAL H . . 4.330 3.959 3.560 4.331 0.001 17 0 "[ . 1 . 2]" 2
285 1 14 LYS HA 1 21 VAL HB . . 4.810 4.753 4.582 4.812 0.002 14 0 "[ . 1 . 2]" 2
286 1 20 LYS HA 1 21 VAL HB . . 5.060 4.761 4.634 4.960 . 0 0 "[ . 1 . 2]" 2
287 1 15 CYS HB3 1 20 LYS HB3 . . 4.910 4.277 3.766 4.571 . 0 0 "[ . 1 . 2]" 2
288 1 33 ARG HA 1 33 ARG QD . . 4.450 3.245 2.040 4.260 . 0 0 "[ . 1 . 2]" 2
289 1 33 ARG HA 1 33 ARG HG2 . . 4.050 2.811 2.414 3.879 . 0 0 "[ . 1 . 2]" 2
290 1 11 LYS HB2 1 21 VAL HB . . 4.340 4.203 3.838 4.360 0.020 16 0 "[ . 1 . 2]" 2
291 1 20 LYS HA 1 20 LYS HG3 . . 3.650 2.821 2.440 3.615 . 0 0 "[ . 1 . 2]" 2
292 1 20 LYS HB3 1 20 LYS HD2 . . 3.980 3.285 2.388 3.805 . 0 0 "[ . 1 . 2]" 2
293 1 20 LYS HB3 1 20 LYS HD3 . . 3.980 2.640 2.212 2.990 . 0 0 "[ . 1 . 2]" 2
294 1 20 LYS HA 1 20 LYS HG2 . . 3.650 2.479 2.207 2.736 . 0 0 "[ . 1 . 2]" 2
295 1 28 LEU HA 1 32 GLN H . . 4.780 3.960 3.725 4.298 . 0 0 "[ . 1 . 2]" 2
296 1 28 LEU HA 1 31 HIS H . . 4.230 3.514 3.312 3.718 . 0 0 "[ . 1 . 2]" 2
297 1 22 PHE QD 1 28 LEU HA . . 4.110 3.407 2.881 3.747 . 0 0 "[ . 1 . 2]" 2
298 1 28 LEU HA 1 31 HIS HD2 . . 4.430 3.839 3.446 4.350 . 0 0 "[ . 1 . 2]" 2
299 1 28 LEU HA 1 29 SER HA . . 5.020 4.831 4.765 4.924 . 0 0 "[ . 1 . 2]" 2
300 1 28 LEU HA 1 31 HIS HB3 . . 4.070 2.551 2.338 2.737 . 0 0 "[ . 1 . 2]" 2
301 1 28 LEU HA 1 31 HIS HB2 . . 4.070 3.835 3.542 4.011 . 0 0 "[ . 1 . 2]" 2
302 1 28 LEU HA 1 28 LEU HG . . 4.090 3.307 3.183 3.445 . 0 0 "[ . 1 . 2]" 2
303 1 28 LEU HA 1 28 LEU MD1 . . 3.220 2.234 2.030 2.431 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS HB3 1 22 PHE QE . . 3.990 3.441 3.004 3.917 . 0 0 "[ . 1 . 2]" 2
305 1 22 PHE QE 1 28 LEU HA . . 4.270 3.576 3.044 3.768 . 0 0 "[ . 1 . 2]" 2
306 1 20 LYS HD2 1 22 PHE QE . . 5.270 4.656 3.599 5.263 . 0 0 "[ . 1 . 2]" 2
307 1 20 LYS HB2 1 22 PHE QE . . 4.210 2.949 2.546 3.328 . 0 0 "[ . 1 . 2]" 2
308 1 20 LYS HB3 1 22 PHE QE . . 4.090 2.763 2.145 3.376 . 0 0 "[ . 1 . 2]" 2
309 1 22 PHE QE 1 28 LEU MD1 . . 3.790 2.634 2.194 3.051 . 0 0 "[ . 1 . 2]" 2
310 1 15 CYS HB2 1 22 PHE QE . . 3.760 2.379 2.008 2.966 . 0 0 "[ . 1 . 2]" 2
311 1 13 TYR QD 1 23 ARG HA . . 4.880 3.938 3.487 4.563 . 0 0 "[ . 1 . 2]" 2
312 1 11 LYS HB3 1 23 ARG HA . . 4.700 3.241 2.477 3.734 . 0 0 "[ . 1 . 2]" 2
313 1 12 PRO HB3 1 13 TYR H . . 4.500 4.416 4.360 4.452 . 0 0 "[ . 1 . 2]" 2
314 1 18 CYS H 1 18 CYS HB3 . . 4.200 3.027 2.854 3.276 . 0 0 "[ . 1 . 2]" 2
315 1 13 TYR QD 1 25 ASN HA . . 4.130 3.226 2.761 3.571 . 0 0 "[ . 1 . 2]" 2
316 1 25 ASN HA 1 28 LEU HA . . 5.220 5.061 4.860 5.203 . 0 0 "[ . 1 . 2]" 2
317 1 13 TYR HB3 1 25 ASN HA . . 4.440 3.443 3.173 3.799 . 0 0 "[ . 1 . 2]" 2
318 1 25 ASN HA 1 28 LEU HB3 . . 3.620 2.340 2.116 2.575 . 0 0 "[ . 1 . 2]" 2
319 1 25 ASN HA 1 28 LEU HG . . 4.720 4.556 4.298 4.712 . 0 0 "[ . 1 . 2]" 2
320 1 25 ASN HA 1 28 LEU HB2 . . 4.100 3.342 3.167 3.583 . 0 0 "[ . 1 . 2]" 2
321 1 25 ASN HA 1 28 LEU MD2 . . 4.020 3.050 2.882 3.526 . 0 0 "[ . 1 . 2]" 2
322 1 22 PHE HZ 1 31 HIS HB3 . . 4.760 3.307 2.956 3.637 . 0 0 "[ . 1 . 2]" 2
323 1 22 PHE HZ 1 31 HIS HB2 . . 4.760 3.027 2.445 3.487 . 0 0 "[ . 1 . 2]" 2
324 1 20 LYS HD2 1 22 PHE HZ . . 4.730 4.050 2.921 4.731 0.001 11 0 "[ . 1 . 2]" 2
325 1 20 LYS HD3 1 22 PHE HZ . . 4.730 3.314 2.402 4.371 . 0 0 "[ . 1 . 2]" 2
326 1 20 LYS HB2 1 22 PHE HZ . . 4.470 3.518 3.079 3.810 . 0 0 "[ . 1 . 2]" 2
327 1 20 LYS HB3 1 22 PHE HZ . . 4.390 3.193 2.593 3.689 . 0 0 "[ . 1 . 2]" 2
328 1 27 TYR HA 1 30 ARG QB . . 3.730 3.319 2.680 3.729 . 0 0 "[ . 1 . 2]" 2
329 1 32 GLN QG 1 35 HIS HD2 . . 4.180 3.258 2.559 4.148 . 0 0 "[ . 1 . 2]" 2
330 1 17 GLU QB 1 35 HIS HD2 . . 4.170 2.657 2.044 3.930 . 0 0 "[ . 1 . 2]" 2
331 1 33 ARG HB2 1 34 ILE H . . 4.610 2.541 2.289 4.058 . 0 0 "[ . 1 . 2]" 2
332 1 33 ARG H 1 33 ARG HB2 . . 3.820 2.733 2.601 3.569 . 0 0 "[ . 1 . 2]" 2
333 1 33 ARG H 1 33 ARG HB3 . . 3.820 3.459 2.236 3.596 . 0 0 "[ . 1 . 2]" 2
334 1 35 HIS HB2 1 35 HIS HD2 . . 3.830 2.706 2.690 2.797 . 0 0 "[ . 1 . 2]" 2
335 1 33 ARG HB2 1 33 ARG QD . . 3.890 3.039 2.258 3.515 . 0 0 "[ . 1 . 2]" 2
336 1 33 ARG HB3 1 33 ARG QD . . 3.890 2.415 2.103 2.723 . 0 0 "[ . 1 . 2]" 2
337 1 14 LYS HA 1 14 LYS QD . . 4.740 4.119 3.965 4.159 . 0 0 "[ . 1 . 2]" 2
338 1 15 CYS HB2 1 31 HIS HD2 . . 3.500 2.883 2.608 3.135 . 0 0 "[ . 1 . 2]" 2
339 1 15 CYS HB2 1 19 GLY H . . 4.550 4.090 3.708 4.363 . 0 0 "[ . 1 . 2]" 2
340 1 15 CYS HB2 1 18 CYS H . . 5.320 4.540 4.349 4.683 . 0 0 "[ . 1 . 2]" 2
341 1 15 CYS HB3 1 31 HIS HD2 . . 4.250 4.154 3.896 4.254 0.004 20 0 "[ . 1 . 2]" 2
342 1 14 LYS HA 1 15 CYS HB3 . . 4.990 4.791 4.679 4.934 . 0 0 "[ . 1 . 2]" 2
343 1 14 LYS HA 1 15 CYS HB2 . . 4.460 4.411 4.321 4.461 0.001 9 0 "[ . 1 . 2]" 2
344 1 11 LYS HA 1 11 LYS QD . . 4.280 2.912 1.986 4.073 . 0 0 "[ . 1 . 2]" 2
345 1 15 CYS HB2 1 20 LYS HB2 . . 4.740 3.508 2.710 4.030 . 0 0 "[ . 1 . 2]" 2
346 1 15 CYS HB3 1 20 LYS HB2 . . 4.470 3.040 2.370 3.337 . 0 0 "[ . 1 . 2]" 2
347 1 15 CYS HB3 1 28 LEU MD1 . . 3.910 3.799 3.600 3.909 . 0 0 "[ . 1 . 2]" 2
348 1 15 CYS HB2 1 28 LEU MD1 . . 3.550 2.433 2.175 2.619 . 0 0 "[ . 1 . 2]" 2
349 1 20 LYS HD2 1 31 HIS HE1 . . 4.980 3.162 2.069 4.451 . 0 0 "[ . 1 . 2]" 2
350 1 20 LYS HD3 1 31 HIS HE1 . . 4.980 3.537 2.731 4.916 . 0 0 "[ . 1 . 2]" 2
351 1 20 LYS H 1 20 LYS HD2 . . 5.500 4.385 3.568 5.395 . 0 0 "[ . 1 . 2]" 2
352 1 20 LYS H 1 20 LYS HD3 . . 5.500 4.709 4.144 5.155 . 0 0 "[ . 1 . 2]" 2
353 1 20 LYS HD3 1 22 PHE QE . . 5.270 4.035 3.362 4.678 . 0 0 "[ . 1 . 2]" 2
354 1 32 GLN H 1 32 GLN HB3 . . 3.750 3.602 3.584 3.614 . 0 0 "[ . 1 . 2]" 2
355 1 32 GLN HB2 1 35 HIS HD2 . . 5.080 4.756 4.302 5.079 . 0 0 "[ . 1 . 2]" 2
356 1 32 GLN HB3 1 35 HIS HD2 . . 5.080 3.718 2.984 4.340 . 0 0 "[ . 1 . 2]" 2
357 1 28 LEU MD1 1 32 GLN HB2 . . 5.070 4.283 3.532 4.610 . 0 0 "[ . 1 . 2]" 2
358 1 28 LEU MD1 1 32 GLN HB3 . . 5.070 4.771 4.376 5.070 0.000 4 0 "[ . 1 . 2]" 2
359 1 23 ARG HA 1 23 ARG HG2 . . 4.230 2.694 2.244 3.541 . 0 0 "[ . 1 . 2]" 2
360 1 23 ARG HA 1 23 ARG HG3 . . 4.230 2.819 2.323 3.579 . 0 0 "[ . 1 . 2]" 2
361 1 30 ARG H 1 30 ARG HG2 . . 4.240 3.054 1.901 4.170 . 0 0 "[ . 1 . 2]" 2
362 1 33 ARG H 1 33 ARG HG3 . . 3.840 2.937 2.185 3.768 . 0 0 "[ . 1 . 2]" 2
363 1 33 ARG HA 1 33 ARG HG3 . . 4.050 3.666 3.449 3.838 . 0 0 "[ . 1 . 2]" 2
364 1 30 ARG HA 1 30 ARG HG3 . . 3.960 3.251 2.163 3.865 . 0 0 "[ . 1 . 2]" 2
365 1 11 LYS HA 1 12 PRO HG2 . . 4.830 4.486 4.395 4.612 . 0 0 "[ . 1 . 2]" 2
366 1 11 LYS HA 1 12 PRO HG3 . . 4.830 4.456 4.393 4.550 . 0 0 "[ . 1 . 2]" 2
367 1 20 LYS HG3 1 21 VAL H . . 4.810 4.531 4.181 4.810 . 0 0 "[ . 1 . 2]" 2
368 1 13 TYR HA 1 28 LEU MD2 . . 3.940 3.289 2.867 3.644 . 0 0 "[ . 1 . 2]" 2
369 1 15 CYS HA 1 28 LEU MD2 . . 4.380 3.546 3.121 3.773 . 0 0 "[ . 1 . 2]" 2
370 1 28 LEU HA 1 28 LEU MD2 . . 4.330 3.926 3.771 3.986 . 0 0 "[ . 1 . 2]" 2
371 1 13 TYR HB3 1 28 LEU MD2 . . 3.460 2.190 1.969 2.403 . 0 0 "[ . 1 . 2]" 2
372 1 28 LEU HB2 1 28 LEU MD2 . . 3.560 2.382 2.233 2.476 . 0 0 "[ . 1 . 2]" 2
373 1 39 LYS HA 1 40 PRO HD2 . . 3.400 2.268 1.985 2.439 . 0 0 "[ . 1 . 2]" 2
374 1 39 LYS HA 1 40 PRO HD3 . . 3.400 2.295 2.254 2.756 . 0 0 "[ . 1 . 2]" 2
375 1 12 PRO HD3 1 13 TYR H . . 4.710 3.952 3.910 3.984 . 0 0 "[ . 1 . 2]" 2
376 1 12 PRO HD2 1 13 TYR QD . . 4.690 3.044 2.776 3.231 . 0 0 "[ . 1 . 2]" 2
377 1 11 LYS HA 1 12 PRO HD2 . . 3.180 2.367 2.253 2.520 . 0 0 "[ . 1 . 2]" 2
378 1 11 LYS HA 1 12 PRO HD3 . . 3.180 2.294 2.260 2.355 . 0 0 "[ . 1 . 2]" 2
379 1 11 LYS HB3 1 12 PRO HD3 . . 4.260 3.603 3.412 3.937 . 0 0 "[ . 1 . 2]" 2
380 1 11 LYS HB3 1 12 PRO HD2 . . 4.260 2.192 1.997 2.600 . 0 0 "[ . 1 . 2]" 2
381 1 12 PRO HD2 1 13 TYR H . . 4.710 2.854 2.773 2.916 . 0 0 "[ . 1 . 2]" 2
382 1 14 LYS HA 1 14 LYS HG3 . . 4.140 2.842 2.653 2.963 . 0 0 "[ . 1 . 2]" 2
383 1 14 LYS HG3 1 21 VAL MG2 . . 3.840 2.014 1.863 2.318 . 0 0 "[ . 1 . 2]" 2
384 1 14 LYS HA 1 14 LYS HG2 . . 4.200 3.080 2.593 3.402 . 0 0 "[ . 1 . 2]" 2
385 1 14 LYS HG2 1 19 GLY HA2 . . 4.570 3.526 3.297 3.727 . 0 0 "[ . 1 . 2]" 2
386 1 30 ARG QB 1 30 ARG QD . . 3.410 2.214 2.031 2.591 . 0 0 "[ . 1 . 2]" 2
387 1 10 GLU H 1 10 GLU QG . . 4.790 3.316 1.917 4.377 . 0 0 "[ . 1 . 2]" 2
388 1 11 LYS HA 1 11 LYS QG . . 3.710 2.516 2.165 3.094 . 0 0 "[ . 1 . 2]" 2
389 1 11 LYS HA 1 12 PRO QG . . 4.200 3.983 3.915 4.080 . 0 0 "[ . 1 . 2]" 2
390 1 11 LYS HB2 1 21 VAL QG . . 4.020 1.917 1.786 2.159 . 0 0 "[ . 1 . 2]" 2
391 1 11 LYS HB3 1 12 PRO QG . . 4.410 3.748 3.528 3.997 . 0 0 "[ . 1 . 2]" 2
392 1 11 LYS HB3 1 12 PRO QD . . 3.680 2.173 1.984 2.565 . 0 0 "[ . 1 . 2]" 2
393 1 11 LYS QD 1 12 PRO QD . . 4.720 3.601 2.599 4.574 . 0 0 "[ . 1 . 2]" 2
394 1 11 LYS QD 1 21 VAL QG . . 3.720 3.168 1.885 3.720 0.000 3 0 "[ . 1 . 2]" 2
395 1 11 LYS QE 1 21 VAL QG . . 5.090 3.820 1.897 4.929 . 0 0 "[ . 1 . 2]" 2
396 1 12 PRO HA 1 21 VAL QG . . 5.350 5.301 5.003 5.357 0.007 19 0 "[ . 1 . 2]" 2
397 1 12 PRO QG 1 13 TYR QD . . 4.180 2.147 2.028 2.210 . 0 0 "[ . 1 . 2]" 2
398 1 12 PRO QG 1 13 TYR QE . . 4.580 2.443 2.208 2.623 . 0 0 "[ . 1 . 2]" 2
399 1 12 PRO QD 1 13 TYR H . . 4.120 2.791 2.719 2.847 . 0 0 "[ . 1 . 2]" 2
400 1 12 PRO QD 1 13 TYR QD . . 4.000 2.997 2.743 3.172 . 0 0 "[ . 1 . 2]" 2
401 1 12 PRO QD 1 23 ARG HA . . 4.440 4.023 3.560 4.449 0.009 20 0 "[ . 1 . 2]" 2
402 1 13 TYR H 1 21 VAL QG . . 4.280 3.560 3.365 3.692 . 0 0 "[ . 1 . 2]" 2
403 1 13 TYR HA 1 14 LYS QB . . 4.680 4.181 4.118 4.236 . 0 0 "[ . 1 . 2]" 2
404 1 13 TYR QD 1 25 ASN QB . . 4.730 3.018 2.333 3.742 . 0 0 "[ . 1 . 2]" 2
405 1 13 TYR QE 1 25 ASN QB . . 3.900 2.343 1.988 2.924 . 0 0 "[ . 1 . 2]" 2
406 1 14 LYS H 1 14 LYS QB . . 3.160 2.557 2.402 2.621 . 0 0 "[ . 1 . 2]" 2
407 1 14 LYS H 1 21 VAL QG . . 4.500 4.076 3.802 4.218 . 0 0 "[ . 1 . 2]" 2
408 1 14 LYS HA 1 21 VAL QG . . 3.420 2.569 2.265 2.744 . 0 0 "[ . 1 . 2]" 2
409 1 14 LYS QB 1 14 LYS QE . . 4.580 3.453 2.363 3.669 . 0 0 "[ . 1 . 2]" 2
410 1 14 LYS QB 1 15 CYS H . . 3.920 3.677 3.488 3.819 . 0 0 "[ . 1 . 2]" 2
411 1 14 LYS QB 1 21 VAL QG . . 3.100 2.156 1.873 2.376 . 0 0 "[ . 1 . 2]" 2
412 1 14 LYS HG2 1 21 VAL QG . . 3.950 3.365 2.665 3.658 . 0 0 "[ . 1 . 2]" 2
413 1 14 LYS QD 1 21 VAL QG . . 3.570 2.873 2.045 3.326 . 0 0 "[ . 1 . 2]" 2
414 1 14 LYS QE 1 21 VAL QG . . 3.890 3.167 2.432 3.884 . 0 0 "[ . 1 . 2]" 2
415 1 15 CYS H 1 21 VAL QG . . 3.840 3.594 3.306 3.791 . 0 0 "[ . 1 . 2]" 2
416 1 15 CYS HA 1 32 GLN QE . . 4.250 3.136 2.089 4.065 . 0 0 "[ . 1 . 2]" 2
417 1 16 ASN QB 1 17 GLU QG . . 4.520 3.802 3.455 4.484 . 0 0 "[ . 1 . 2]" 2
418 1 17 GLU H 1 17 GLU QG . . 3.580 2.672 2.138 3.541 . 0 0 "[ . 1 . 2]" 2
419 1 17 GLU QB 1 18 CYS QB . . 4.580 3.588 3.526 3.683 . 0 0 "[ . 1 . 2]" 2
420 1 17 GLU QG 1 35 HIS HB3 . . 4.490 2.830 2.000 4.014 . 0 0 "[ . 1 . 2]" 2
421 1 18 CYS H 1 18 CYS QB . . 3.370 2.903 2.762 3.092 . 0 0 "[ . 1 . 2]" 2
422 1 18 CYS QB 1 20 LYS H . . 5.310 3.539 3.193 4.103 . 0 0 "[ . 1 . 2]" 2
423 1 18 CYS QB 1 35 HIS HE1 . . 3.120 2.091 1.992 2.231 . 0 0 "[ . 1 . 2]" 2
424 1 20 LYS H 1 20 LYS QG . . 3.400 2.763 2.392 3.259 . 0 0 "[ . 1 . 2]" 2
425 1 20 LYS H 1 20 LYS QD . . 4.840 3.948 3.457 4.659 . 0 0 "[ . 1 . 2]" 2
426 1 20 LYS HA 1 20 LYS QD . . 4.480 3.892 2.456 4.120 . 0 0 "[ . 1 . 2]" 2
427 1 20 LYS HA 1 21 VAL QG . . 3.710 3.207 2.832 3.479 . 0 0 "[ . 1 . 2]" 2
428 1 20 LYS HB3 1 20 LYS QD . . 3.410 2.494 2.190 2.746 . 0 0 "[ . 1 . 2]" 2
429 1 20 LYS QG 1 21 VAL H . . 3.980 3.466 3.170 3.949 . 0 0 "[ . 1 . 2]" 2
430 1 20 LYS QD 1 21 VAL H . . 5.340 4.501 2.715 5.160 . 0 0 "[ . 1 . 2]" 2
431 1 20 LYS QD 1 22 PHE QE . . 4.610 3.727 3.300 4.102 . 0 0 "[ . 1 . 2]" 2
432 1 20 LYS QD 1 22 PHE HZ . . 4.120 3.030 2.385 3.603 . 0 0 "[ . 1 . 2]" 2
433 1 20 LYS QD 1 31 HIS HE1 . . 4.250 2.819 2.047 4.094 . 0 0 "[ . 1 . 2]" 2
434 1 21 VAL H 1 21 VAL QG . . 3.100 2.569 2.337 2.777 . 0 0 "[ . 1 . 2]" 2
435 1 21 VAL QG 1 22 PHE H . . 3.400 1.999 1.878 2.165 . 0 0 "[ . 1 . 2]" 2
436 1 21 VAL QG 1 22 PHE QD . . 4.750 3.719 3.551 3.877 . 0 0 "[ . 1 . 2]" 2
437 1 22 PHE QD 1 27 TYR QB . . 3.740 2.656 2.145 3.668 . 0 0 "[ . 1 . 2]" 2
438 1 22 PHE HZ 1 31 HIS QB . . 3.910 2.795 2.349 3.169 . 0 0 "[ . 1 . 2]" 2
439 1 24 HIS HE1 1 26 SER QB . . 4.270 3.246 2.663 3.962 . 0 0 "[ . 1 . 2]" 2
440 1 27 TYR H 1 27 TYR QB . . 3.340 2.536 2.425 2.651 . 0 0 "[ . 1 . 2]" 2
441 1 27 TYR HA 1 30 ARG QG . . 4.630 3.071 1.985 4.485 . 0 0 "[ . 1 . 2]" 2
442 1 27 TYR QB 1 28 LEU H . . 3.370 2.539 2.249 2.839 . 0 0 "[ . 1 . 2]" 2
443 1 28 LEU HA 1 31 HIS QB . . 3.370 2.515 2.307 2.685 . 0 0 "[ . 1 . 2]" 2
444 1 28 LEU HG 1 32 GLN QE . . 4.890 3.478 2.249 4.509 . 0 0 "[ . 1 . 2]" 2
445 1 28 LEU MD1 1 31 HIS QB . . 3.930 3.044 2.755 3.442 . 0 0 "[ . 1 . 2]" 2
446 1 28 LEU MD1 1 32 GLN QE . . 3.840 2.761 1.880 3.657 . 0 0 "[ . 1 . 2]" 2
447 1 28 LEU MD2 1 32 GLN QE . . 4.890 3.192 2.194 4.318 . 0 0 "[ . 1 . 2]" 2
448 1 29 SER HA 1 32 GLN QB . . 3.860 2.857 2.613 3.149 . 0 0 "[ . 1 . 2]" 2
449 1 30 ARG H 1 30 ARG QG . . 3.630 2.525 1.888 3.438 . 0 0 "[ . 1 . 2]" 2
450 1 30 ARG HA 1 30 ARG QG . . 3.390 2.824 2.143 3.339 . 0 0 "[ . 1 . 2]" 2
451 1 30 ARG HA 1 33 ARG QG . . 3.500 2.395 2.146 3.511 0.011 10 0 "[ . 1 . 2]" 2
452 1 30 ARG QG 1 31 HIS H . . 4.520 3.443 2.132 4.476 . 0 0 "[ . 1 . 2]" 2
453 1 31 HIS H 1 31 HIS QB . . 2.820 2.174 2.141 2.234 . 0 0 "[ . 1 . 2]" 2
454 1 31 HIS QB 1 32 GLN H . . 3.400 2.457 2.265 2.611 . 0 0 "[ . 1 . 2]" 2
455 1 31 HIS HD2 1 32 GLN QE . . 5.340 4.565 3.648 5.327 . 0 0 "[ . 1 . 2]" 2
456 1 31 HIS HE1 1 34 ILE QG . . 4.650 3.504 3.121 3.994 . 0 0 "[ . 1 . 2]" 2
457 1 32 GLN H 1 32 GLN QB . . 3.160 2.451 2.323 2.633 . 0 0 "[ . 1 . 2]" 2
458 1 32 GLN QB 1 33 ARG H . . 4.060 2.897 2.724 3.050 . 0 0 "[ . 1 . 2]" 2
459 1 33 ARG H 1 33 ARG QG . . 3.360 2.093 1.887 2.730 . 0 0 "[ . 1 . 2]" 2
460 1 33 ARG HA 1 33 ARG QG . . 3.480 2.700 2.369 3.334 . 0 0 "[ . 1 . 2]" 2
461 1 33 ARG QB 1 34 ILE H . . 3.910 2.460 2.253 3.479 . 0 0 "[ . 1 . 2]" 2
462 1 33 ARG QG 1 34 ILE H . . 3.890 3.686 1.876 3.894 0.004 4 0 "[ . 1 . 2]" 2
463 1 34 ILE H 1 34 ILE QG . . 3.470 2.454 2.317 2.555 . 0 0 "[ . 1 . 2]" 2
464 1 34 ILE QG 1 34 ILE MG . . 3.240 2.147 2.051 2.255 . 0 0 "[ . 1 . 2]" 2
465 1 36 THR H 1 37 GLY QA . . 5.340 4.684 4.063 5.247 . 0 0 "[ . 1 . 2]" 2
466 1 38 GLU H 1 38 GLU QB . . 3.530 2.534 2.139 3.303 . 0 0 "[ . 1 . 2]" 2
467 1 38 GLU H 1 38 GLU QG . . 4.680 3.428 2.134 4.410 . 0 0 "[ . 1 . 2]" 2
468 1 38 GLU QB 1 39 LYS H . . 4.340 3.444 2.251 4.012 . 0 0 "[ . 1 . 2]" 2
469 1 39 LYS H 1 39 LYS QB . . 3.530 2.497 2.179 3.132 . 0 0 "[ . 1 . 2]" 2
470 1 39 LYS HA 1 40 PRO QD . . 2.970 2.023 1.942 2.113 . 0 0 "[ . 1 . 2]" 2
471 1 39 LYS QB 1 40 PRO QD . . 3.740 2.568 1.974 3.796 0.056 15 0 "[ . 1 . 2]" 2
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