NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509044 |
2yte   |
10308 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yte
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 10
_Distance_constraint_stats_list.Viol_total 0.074
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0004
_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 13 CYS 0.001 0.001 4 0 "[ . 1 . 2]"
1 16 CYS 0.002 0.001 18 0 "[ . 1 . 2]"
1 29 HIS 0.002 0.001 18 0 "[ . 1 . 2]"
1 33 HIS 0.001 0.001 18 0 "[ . 1 . 2]"
2 1 ZN 0.002 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 13 CYS SG 2 1 ZN ZN . 2.190 2.390 2.350 2.202 2.391 0.001 4 0 "[ . 1 . 2]" 1
2 1 16 CYS SG 2 1 ZN ZN . 2.190 2.390 2.276 2.189 2.375 0.001 18 0 "[ . 1 . 2]" 1
3 1 29 HIS NE2 2 1 ZN ZN . . 2.100 2.042 1.929 2.100 0.000 9 0 "[ . 1 . 2]" 1
4 1 33 HIS NE2 2 1 ZN ZN . . 2.100 1.991 1.903 2.065 . 0 0 "[ . 1 . 2]" 1
5 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.306 3.254 3.375 . 0 0 "[ . 1 . 2]" 1
6 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.418 3.253 3.509 . 0 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.560 3.960 3.853 3.561 3.957 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.590 3.320 3.720 0.000 4 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.683 3.546 3.720 . 13 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.347 3.320 3.486 0.000 14 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.585 3.322 3.720 . 0 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.000 3.600 3.095 2.999 3.366 0.001 18 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 462
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 4.504
_Distance_constraint_stats_list.Viol_max 0.021
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0038
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.008 0.008 19 0 "[ . 1 . 2]"
1 10 PRO 0.029 0.014 18 0 "[ . 1 . 2]"
1 11 TYR 0.038 0.014 18 0 "[ . 1 . 2]"
1 12 SER 0.001 0.001 8 0 "[ . 1 . 2]"
1 13 CYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.022 0.014 17 0 "[ . 1 . 2]"
1 16 CYS 0.009 0.005 18 0 "[ . 1 . 2]"
1 17 LYS 0.009 0.005 18 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.000 0.000 17 0 "[ . 1 . 2]"
1 20 PHE 0.011 0.007 19 0 "[ . 1 . 2]"
1 21 SER 0.008 0.008 19 0 "[ . 1 . 2]"
1 22 ASP 0.007 0.005 19 0 "[ . 1 . 2]"
1 23 ASN 0.004 0.004 19 0 "[ . 1 . 2]"
1 24 ASN 0.002 0.001 12 0 "[ . 1 . 2]"
1 25 ARG 0.025 0.009 13 0 "[ . 1 . 2]"
1 26 LEU 0.021 0.007 19 0 "[ . 1 . 2]"
1 27 VAL 0.016 0.007 19 0 "[ . 1 . 2]"
1 28 GLN 0.013 0.006 19 0 "[ . 1 . 2]"
1 29 HIS 0.000 0.000 12 0 "[ . 1 . 2]"
1 30 GLN 0.006 0.003 19 0 "[ . 1 . 2]"
1 31 LYS 0.024 0.018 19 0 "[ . 1 . 2]"
1 32 MET 0.005 0.005 16 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.023 0.016 19 0 "[ . 1 . 2]"
1 35 VAL 0.064 0.021 18 0 "[ . 1 . 2]"
1 36 LYS 0.040 0.021 18 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 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 34 THR HA 1 35 VAL H . . 3.160 2.331 2.143 3.103 . 0 0 "[ . 1 . 2]" 2
2 1 35 VAL H 1 35 VAL HB . . 3.730 3.054 2.395 3.730 0.000 3 0 "[ . 1 . 2]" 2
3 1 34 THR MG 1 35 VAL H . . 4.450 3.761 2.066 4.250 . 0 0 "[ . 1 . 2]" 2
4 1 35 VAL H 1 35 VAL MG1 . . 4.250 3.051 1.929 3.912 . 0 0 "[ . 1 . 2]" 2
5 1 35 VAL H 1 35 VAL MG2 . . 4.250 2.787 1.875 4.078 . 0 0 "[ . 1 . 2]" 2
6 1 8 GLU HA 1 9 LYS H . . 3.270 2.383 2.138 2.781 . 0 0 "[ . 1 . 2]" 2
7 1 9 LYS H 1 10 PRO QD . . 4.680 4.334 4.187 4.378 . 0 0 "[ . 1 . 2]" 2
8 1 9 LYS H 1 9 LYS QB . . 3.660 2.453 2.173 2.802 . 0 0 "[ . 1 . 2]" 2
9 1 32 MET HA 1 34 THR H . . 5.250 3.944 3.299 4.492 . 0 0 "[ . 1 . 2]" 2
10 1 23 ASN HA 1 26 LEU H . . 3.740 3.259 3.101 3.494 . 0 0 "[ . 1 . 2]" 2
11 1 20 PHE HB2 1 26 LEU H . . 4.250 3.818 3.418 4.180 . 0 0 "[ . 1 . 2]" 2
12 1 26 LEU H 1 26 LEU HB3 . . 3.020 2.432 2.322 2.544 . 0 0 "[ . 1 . 2]" 2
13 1 25 ARG QB 1 26 LEU H . . 3.500 2.558 2.412 2.689 . 0 0 "[ . 1 . 2]" 2
14 1 26 LEU H 1 26 LEU HG . . 4.580 4.429 4.351 4.498 . 0 0 "[ . 1 . 2]" 2
15 1 26 LEU H 1 26 LEU HB2 . . 3.230 2.589 2.474 2.710 . 0 0 "[ . 1 . 2]" 2
16 1 26 LEU H 1 26 LEU MD2 . . 4.820 4.174 4.056 4.226 . 0 0 "[ . 1 . 2]" 2
17 1 26 LEU H 1 26 LEU MD1 . . 4.400 4.140 3.962 4.269 . 0 0 "[ . 1 . 2]" 2
18 1 20 PHE HB3 1 26 LEU H . . 4.410 3.520 3.090 3.946 . 0 0 "[ . 1 . 2]" 2
19 1 8 GLU H 1 8 GLU HG2 . . 5.290 3.250 2.055 4.768 . 0 0 "[ . 1 . 2]" 2
20 1 8 GLU H 1 8 GLU HG3 . . 5.290 3.490 2.148 4.617 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU H 1 27 VAL H . . 3.270 2.754 2.642 2.862 . 0 0 "[ . 1 . 2]" 2
22 1 24 ASN HA 1 27 VAL H . . 3.910 3.704 3.494 3.909 . 0 0 "[ . 1 . 2]" 2
23 1 25 ARG HA 1 27 VAL H . . 5.500 4.813 4.554 5.079 . 0 0 "[ . 1 . 2]" 2
24 1 27 VAL H 1 28 GLN HA . . 5.500 5.471 5.364 5.506 0.006 19 0 "[ . 1 . 2]" 2
25 1 26 LEU HB3 1 27 VAL H . . 2.880 2.371 2.223 2.521 . 0 0 "[ . 1 . 2]" 2
26 1 26 LEU HG 1 27 VAL H . . 4.140 3.487 3.163 3.865 . 0 0 "[ . 1 . 2]" 2
27 1 26 LEU HB2 1 27 VAL H . . 3.860 3.782 3.701 3.867 0.007 19 0 "[ . 1 . 2]" 2
28 1 27 VAL H 1 27 VAL MG1 . . 3.910 3.447 2.105 3.769 . 0 0 "[ . 1 . 2]" 2
29 1 27 VAL HA 1 30 GLN HE21 . . 5.500 4.450 3.148 5.356 . 0 0 "[ . 1 . 2]" 2
30 1 26 LEU HG 1 30 GLN HE21 . . 4.900 2.554 1.901 3.513 . 0 0 "[ . 1 . 2]" 2
31 1 26 LEU MD2 1 30 GLN HE21 . . 4.500 2.687 1.978 3.562 . 0 0 "[ . 1 . 2]" 2
32 1 26 LEU MD1 1 30 GLN HE21 . . 4.500 2.861 2.296 3.537 . 0 0 "[ . 1 . 2]" 2
33 1 26 LEU HG 1 30 GLN HE22 . . 4.900 3.749 3.046 4.244 . 0 0 "[ . 1 . 2]" 2
34 1 26 LEU MD2 1 30 GLN HE22 . . 4.500 3.182 2.406 3.783 . 0 0 "[ . 1 . 2]" 2
35 1 26 LEU MD1 1 30 GLN HE22 . . 4.500 4.132 3.661 4.435 . 0 0 "[ . 1 . 2]" 2
36 1 25 ARG H 1 26 LEU H . . 3.310 2.757 2.521 2.905 . 0 0 "[ . 1 . 2]" 2
37 1 25 ARG H 1 25 ARG HD2 . . 5.150 4.145 1.940 5.148 . 0 0 "[ . 1 . 2]" 2
38 1 24 ASN HB2 1 25 ARG H . . 3.750 3.061 2.185 3.745 . 0 0 "[ . 1 . 2]" 2
39 1 24 ASN HB3 1 25 ARG H . . 3.750 3.141 2.189 3.749 . 0 0 "[ . 1 . 2]" 2
40 1 25 ARG H 1 25 ARG QB . . 2.910 2.319 2.174 2.566 . 0 0 "[ . 1 . 2]" 2
41 1 27 VAL HA 1 29 HIS H . . 4.680 4.364 3.931 4.628 . 0 0 "[ . 1 . 2]" 2
42 1 29 HIS H 1 30 GLN H . . 3.320 2.664 2.224 2.894 . 0 0 "[ . 1 . 2]" 2
43 1 28 GLN QG 1 29 HIS H . . 4.600 4.265 3.974 4.463 . 0 0 "[ . 1 . 2]" 2
44 1 28 GLN QB 1 29 HIS H . . 3.280 2.727 2.478 3.109 . 0 0 "[ . 1 . 2]" 2
45 1 26 LEU MD1 1 29 HIS H . . 5.500 4.954 4.640 5.249 . 0 0 "[ . 1 . 2]" 2
46 1 29 HIS H 1 29 HIS HB3 . . 2.830 2.277 2.205 2.363 . 0 0 "[ . 1 . 2]" 2
47 1 29 HIS H 1 29 HIS HB2 . . 3.100 2.866 2.721 3.097 . 0 0 "[ . 1 . 2]" 2
48 1 15 GLU H 1 15 GLU HG2 . . 4.670 3.869 2.787 4.684 0.014 17 0 "[ . 1 . 2]" 2
49 1 15 GLU H 1 15 GLU HB2 . . 4.130 2.640 2.238 3.212 . 0 0 "[ . 1 . 2]" 2
50 1 11 TYR H 1 20 PHE H . . 3.960 3.801 3.482 3.967 0.007 19 0 "[ . 1 . 2]" 2
51 1 11 TYR H 1 11 TYR QD . . 3.470 3.011 2.236 3.410 . 0 0 "[ . 1 . 2]" 2
52 1 11 TYR H 1 11 TYR QE . . 5.000 4.748 4.236 4.988 . 0 0 "[ . 1 . 2]" 2
53 1 10 PRO HA 1 11 TYR H . . 3.480 3.398 3.307 3.494 0.014 18 0 "[ . 1 . 2]" 2
54 1 11 TYR H 1 19 THR HB . . 5.460 5.083 4.786 5.405 . 0 0 "[ . 1 . 2]" 2
55 1 10 PRO QD 1 11 TYR H . . 3.640 2.765 2.618 2.930 . 0 0 "[ . 1 . 2]" 2
56 1 11 TYR H 1 11 TYR QB . . 3.070 2.597 2.472 2.711 . 0 0 "[ . 1 . 2]" 2
57 1 11 TYR H 1 20 PHE HB2 . . 5.030 4.819 4.548 5.017 . 0 0 "[ . 1 . 2]" 2
58 1 10 PRO HB2 1 11 TYR H . . 4.000 3.752 3.471 3.950 . 0 0 "[ . 1 . 2]" 2
59 1 11 TYR H 1 26 LEU MD2 . . 5.500 5.177 4.696 5.500 0.000 8 0 "[ . 1 . 2]" 2
60 1 31 LYS H 1 32 MET H . . 3.520 2.726 2.518 2.993 . 0 0 "[ . 1 . 2]" 2
61 1 30 GLN HB2 1 31 LYS H . . 4.020 2.700 2.364 3.041 . 0 0 "[ . 1 . 2]" 2
62 1 30 GLN HB3 1 31 LYS H . . 4.420 3.515 2.972 3.891 . 0 0 "[ . 1 . 2]" 2
63 1 31 LYS H 1 31 LYS HB2 . . 3.820 2.768 2.261 3.599 . 0 0 "[ . 1 . 2]" 2
64 1 31 LYS H 1 31 LYS HG3 . . 4.020 2.891 1.920 4.020 . 0 0 "[ . 1 . 2]" 2
65 1 31 LYS H 1 31 LYS HG2 . . 4.020 2.965 1.899 3.881 . 0 0 "[ . 1 . 2]" 2
66 1 13 CYS H 1 18 GLU H . . 4.870 2.783 2.612 3.096 . 0 0 "[ . 1 . 2]" 2
67 1 13 CYS H 1 20 PHE QD . . 4.810 4.143 3.573 4.656 . 0 0 "[ . 1 . 2]" 2
68 1 13 CYS H 1 20 PHE QE . . 4.230 3.545 2.946 4.214 . 0 0 "[ . 1 . 2]" 2
69 1 12 SER HA 1 13 CYS H . . 2.910 2.265 2.139 2.378 . 0 0 "[ . 1 . 2]" 2
70 1 12 SER QB 1 13 CYS H . . 3.740 2.909 2.476 3.694 . 0 0 "[ . 1 . 2]" 2
71 1 13 CYS H 1 13 CYS HB3 . . 3.230 2.680 2.509 2.845 . 0 0 "[ . 1 . 2]" 2
72 1 13 CYS H 1 19 THR MG . . 4.660 4.393 3.929 4.643 . 0 0 "[ . 1 . 2]" 2
73 1 35 VAL HB 1 36 LYS H . . 4.850 3.685 2.140 4.626 . 0 0 "[ . 1 . 2]" 2
74 1 36 LYS H 1 36 LYS HG2 . . 5.500 3.679 1.988 4.901 . 0 0 "[ . 1 . 2]" 2
75 1 36 LYS H 1 36 LYS HG3 . . 5.500 3.979 2.675 4.820 . 0 0 "[ . 1 . 2]" 2
76 1 35 VAL MG1 1 36 LYS H . . 5.420 3.242 1.880 4.219 . 0 0 "[ . 1 . 2]" 2
77 1 35 VAL MG2 1 36 LYS H . . 5.420 3.503 2.064 4.167 . 0 0 "[ . 1 . 2]" 2
78 1 26 LEU HA 1 28 GLN H . . 5.450 4.676 4.030 5.136 . 0 0 "[ . 1 . 2]" 2
79 1 28 GLN H 1 29 HIS HB3 . . 5.500 4.613 4.224 4.816 . 0 0 "[ . 1 . 2]" 2
80 1 28 GLN H 1 28 GLN QG . . 3.350 2.536 2.083 3.180 . 0 0 "[ . 1 . 2]" 2
81 1 28 GLN H 1 28 GLN QB . . 2.820 2.318 2.188 2.490 . 0 0 "[ . 1 . 2]" 2
82 1 27 VAL MG1 1 28 GLN H . . 4.060 2.925 1.850 3.409 . 0 0 "[ . 1 . 2]" 2
83 1 27 VAL MG2 1 28 GLN H . . 4.060 3.708 3.468 3.811 . 0 0 "[ . 1 . 2]" 2
84 1 24 ASN H 1 24 ASN HB3 . . 4.040 3.124 2.274 3.619 . 0 0 "[ . 1 . 2]" 2
85 1 24 ASN H 1 24 ASN HB2 . . 4.040 2.678 2.190 3.600 . 0 0 "[ . 1 . 2]" 2
86 1 11 TYR H 1 12 SER H . . 4.430 4.230 3.730 4.420 . 0 0 "[ . 1 . 2]" 2
87 1 11 TYR QD 1 12 SER H . . 4.570 4.305 4.062 4.530 . 0 0 "[ . 1 . 2]" 2
88 1 11 TYR HA 1 12 SER H . . 2.830 2.154 2.137 2.282 . 0 0 "[ . 1 . 2]" 2
89 1 12 SER H 1 12 SER QB . . 3.330 2.884 2.576 3.132 . 0 0 "[ . 1 . 2]" 2
90 1 11 TYR QB 1 12 SER H . . 3.820 3.397 3.108 3.777 . 0 0 "[ . 1 . 2]" 2
91 1 12 SER H 1 26 LEU MD2 . . 3.900 3.306 2.711 3.752 . 0 0 "[ . 1 . 2]" 2
92 1 15 GLU H 1 16 CYS H . . 3.210 2.216 1.952 2.724 . 0 0 "[ . 1 . 2]" 2
93 1 16 CYS H 1 17 LYS H . . 3.060 2.037 1.824 2.233 . 0 0 "[ . 1 . 2]" 2
94 1 13 CYS HB3 1 16 CYS H . . 3.650 2.877 2.524 3.166 . 0 0 "[ . 1 . 2]" 2
95 1 20 PHE H 1 20 PHE QD . . 3.330 2.823 2.436 3.105 . 0 0 "[ . 1 . 2]" 2
96 1 19 THR HA 1 20 PHE H . . 2.960 2.251 2.163 2.337 . 0 0 "[ . 1 . 2]" 2
97 1 19 THR HB 1 20 PHE H . . 3.340 2.818 2.552 3.183 . 0 0 "[ . 1 . 2]" 2
98 1 20 PHE H 1 20 PHE HB3 . . 4.070 3.860 3.776 3.925 . 0 0 "[ . 1 . 2]" 2
99 1 11 TYR QB 1 20 PHE H . . 3.820 2.798 2.335 3.127 . 0 0 "[ . 1 . 2]" 2
100 1 20 PHE H 1 20 PHE HB2 . . 3.500 2.793 2.654 2.903 . 0 0 "[ . 1 . 2]" 2
101 1 9 LYS QB 1 20 PHE H . . 4.080 2.797 2.470 3.268 . 0 0 "[ . 1 . 2]" 2
102 1 19 THR MG 1 20 PHE H . . 3.910 3.720 3.530 3.891 . 0 0 "[ . 1 . 2]" 2
103 1 14 ALA H 1 15 GLU H . . 4.300 2.705 1.963 3.046 . 0 0 "[ . 1 . 2]" 2
104 1 30 GLN H 1 31 LYS H . . 3.390 2.851 2.675 3.128 . 0 0 "[ . 1 . 2]" 2
105 1 29 HIS HB3 1 30 GLN H . . 3.320 2.670 2.322 3.041 . 0 0 "[ . 1 . 2]" 2
106 1 30 GLN H 1 30 GLN HG3 . . 3.260 2.426 2.107 2.739 . 0 0 "[ . 1 . 2]" 2
107 1 30 GLN H 1 30 GLN HB2 . . 3.220 2.430 2.240 2.649 . 0 0 "[ . 1 . 2]" 2
108 1 30 GLN H 1 30 GLN HB3 . . 3.710 3.585 3.526 3.614 . 0 0 "[ . 1 . 2]" 2
109 1 30 GLN H 1 32 MET QB . . 5.500 5.045 4.531 5.489 . 0 0 "[ . 1 . 2]" 2
110 1 26 LEU HG 1 30 GLN H . . 4.800 4.101 3.651 4.340 . 0 0 "[ . 1 . 2]" 2
111 1 26 LEU MD1 1 30 GLN H . . 4.310 4.138 3.716 4.309 . 0 0 "[ . 1 . 2]" 2
112 1 29 HIS HD2 1 30 GLN H . . 4.230 3.040 2.396 3.539 . 0 0 "[ . 1 . 2]" 2
113 1 15 GLU H 1 17 LYS H . . 4.370 2.736 2.453 3.514 . 0 0 "[ . 1 . 2]" 2
114 1 17 LYS H 1 17 LYS HA . . 2.790 2.275 2.273 2.278 . 0 0 "[ . 1 . 2]" 2
115 1 17 LYS H 1 17 LYS QE . . 5.120 4.523 2.427 5.120 . 20 0 "[ . 1 . 2]" 2
116 1 13 CYS HB2 1 17 LYS H . . 4.660 4.390 3.699 4.654 . 0 0 "[ . 1 . 2]" 2
117 1 17 LYS H 1 17 LYS HB2 . . 4.200 3.515 3.316 3.763 . 0 0 "[ . 1 . 2]" 2
118 1 33 HIS H 1 33 HIS HD2 . . 4.480 3.646 2.853 4.016 . 0 0 "[ . 1 . 2]" 2
119 1 32 MET H 1 33 HIS H . . 3.650 2.742 2.479 2.920 . 0 0 "[ . 1 . 2]" 2
120 1 33 HIS H 1 34 THR H . . 3.840 2.614 2.158 2.832 . 0 0 "[ . 1 . 2]" 2
121 1 31 LYS HA 1 33 HIS H . . 4.760 3.854 3.449 4.406 . 0 0 "[ . 1 . 2]" 2
122 1 30 GLN HA 1 33 HIS H . . 4.310 3.635 3.159 4.058 . 0 0 "[ . 1 . 2]" 2
123 1 33 HIS H 1 33 HIS HB3 . . 3.960 3.557 3.494 3.639 . 0 0 "[ . 1 . 2]" 2
124 1 33 HIS H 1 33 HIS HB2 . . 3.960 2.303 2.185 2.454 . 0 0 "[ . 1 . 2]" 2
125 1 32 MET QB 1 33 HIS H . . 4.090 2.896 2.526 3.397 . 0 0 "[ . 1 . 2]" 2
126 1 32 MET H 1 32 MET HG3 . . 4.560 3.256 2.151 4.137 . 0 0 "[ . 1 . 2]" 2
127 1 30 GLN HA 1 32 MET H . . 4.910 4.227 3.797 4.579 . 0 0 "[ . 1 . 2]" 2
128 1 22 ASP H 1 23 ASN H . . 5.200 4.442 3.954 4.536 . 0 0 "[ . 1 . 2]" 2
129 1 22 ASP H 1 25 ARG H . . 5.500 4.452 3.902 4.813 . 0 0 "[ . 1 . 2]" 2
130 1 11 TYR QD 1 22 ASP H . . 4.130 3.874 2.353 4.130 . 0 0 "[ . 1 . 2]" 2
131 1 21 SER HB2 1 22 ASP H . . 4.780 3.804 3.371 4.477 . 0 0 "[ . 1 . 2]" 2
132 1 20 PHE HB3 1 22 ASP H . . 3.470 3.090 2.540 3.380 . 0 0 "[ . 1 . 2]" 2
133 1 11 TYR QB 1 22 ASP H . . 4.770 4.554 3.201 4.772 0.002 16 0 "[ . 1 . 2]" 2
134 1 22 ASP H 1 22 ASP QB . . 3.760 2.585 2.390 2.929 . 0 0 "[ . 1 . 2]" 2
135 1 22 ASP H 1 25 ARG QB . . 3.610 3.280 2.661 3.615 0.005 19 0 "[ . 1 . 2]" 2
136 1 21 SER HB3 1 22 ASP H . . 4.780 3.593 2.282 4.595 . 0 0 "[ . 1 . 2]" 2
137 1 27 VAL H 1 28 GLN H . . 3.370 2.930 2.765 3.019 . 0 0 "[ . 1 . 2]" 2
138 1 11 TYR HA 1 11 TYR QD . . 3.570 2.659 2.405 2.997 . 0 0 "[ . 1 . 2]" 2
139 1 11 TYR QD 1 21 SER HA . . 4.130 3.666 3.036 4.130 . 0 0 "[ . 1 . 2]" 2
140 1 10 PRO QD 1 11 TYR QD . . 3.850 3.285 2.671 3.797 . 0 0 "[ . 1 . 2]" 2
141 1 11 TYR QD 1 26 LEU HB3 . . 4.470 4.030 3.481 4.288 . 0 0 "[ . 1 . 2]" 2
142 1 10 PRO HB2 1 11 TYR QD . . 4.480 4.115 3.820 4.300 . 0 0 "[ . 1 . 2]" 2
143 1 11 TYR QD 1 26 LEU HB2 . . 4.930 4.142 3.553 4.398 . 0 0 "[ . 1 . 2]" 2
144 1 11 TYR QD 1 26 LEU MD2 . . 3.580 2.433 1.976 2.810 . 0 0 "[ . 1 . 2]" 2
145 1 19 THR HA 1 20 PHE QD . . 3.930 3.206 2.853 3.358 . 0 0 "[ . 1 . 2]" 2
146 1 20 PHE QD 1 26 LEU HA . . 4.000 3.517 3.176 3.745 . 0 0 "[ . 1 . 2]" 2
147 1 11 TYR QB 1 20 PHE QD . . 4.230 3.126 2.592 3.309 . 0 0 "[ . 1 . 2]" 2
148 1 13 CYS HB2 1 20 PHE QD . . 4.720 4.070 3.798 4.387 . 0 0 "[ . 1 . 2]" 2
149 1 20 PHE QD 1 25 ARG QB . . 3.410 2.190 1.971 2.423 . 0 0 "[ . 1 . 2]" 2
150 1 20 PHE QD 1 26 LEU HG . . 4.840 4.826 4.773 4.843 0.003 19 0 "[ . 1 . 2]" 2
151 1 20 PHE QD 1 26 LEU HB2 . . 3.980 3.068 2.780 3.330 . 0 0 "[ . 1 . 2]" 2
152 1 19 THR HA 1 20 PHE QE . . 5.010 4.341 3.873 4.545 . 0 0 "[ . 1 . 2]" 2
153 1 18 GLU HA 1 20 PHE QE . . 5.500 4.860 4.597 5.330 . 0 0 "[ . 1 . 2]" 2
154 1 20 PHE QE 1 25 ARG QB . . 4.720 3.580 3.248 3.923 . 0 0 "[ . 1 . 2]" 2
155 1 18 GLU HB2 1 20 PHE QE . . 4.110 3.879 2.749 4.109 . 0 0 "[ . 1 . 2]" 2
156 1 18 GLU HB3 1 20 PHE QE . . 4.110 2.528 2.236 3.486 . 0 0 "[ . 1 . 2]" 2
157 1 20 PHE HZ 1 29 HIS HE1 . . 4.860 3.356 2.791 3.797 . 0 0 "[ . 1 . 2]" 2
158 1 20 PHE HZ 1 29 HIS HB3 . . 4.420 3.466 3.132 4.015 . 0 0 "[ . 1 . 2]" 2
159 1 20 PHE HZ 1 29 HIS HB2 . . 4.100 3.371 2.932 3.694 . 0 0 "[ . 1 . 2]" 2
160 1 18 GLU HG3 1 20 PHE HZ . . 5.120 4.060 3.254 5.005 . 0 0 "[ . 1 . 2]" 2
161 1 18 GLU HB2 1 20 PHE HZ . . 4.220 3.904 2.992 4.220 . 0 0 "[ . 1 . 2]" 2
162 1 18 GLU HB3 1 20 PHE HZ . . 4.220 2.848 2.391 3.526 . 0 0 "[ . 1 . 2]" 2
163 1 18 GLU HG2 1 20 PHE HZ . . 5.120 3.721 2.467 5.116 . 0 0 "[ . 1 . 2]" 2
164 1 30 GLN HA 1 33 HIS HD2 . . 3.580 2.434 2.020 2.866 . 0 0 "[ . 1 . 2]" 2
165 1 30 GLN HG2 1 33 HIS HD2 . . 4.320 3.785 2.980 4.308 . 0 0 "[ . 1 . 2]" 2
166 1 29 HIS HD2 1 30 GLN HA . . 3.970 2.768 2.319 3.618 . 0 0 "[ . 1 . 2]" 2
167 1 13 CYS HB3 1 29 HIS HD2 . . 5.140 4.794 4.376 5.139 . 0 0 "[ . 1 . 2]" 2
168 1 29 HIS HB3 1 29 HIS HD2 . . 3.820 2.857 2.708 3.031 . 0 0 "[ . 1 . 2]" 2
169 1 29 HIS HD2 1 30 GLN HG2 . . 3.970 3.180 2.677 3.811 . 0 0 "[ . 1 . 2]" 2
170 1 29 HIS HD2 1 30 GLN HG3 . . 4.040 3.344 2.430 3.977 . 0 0 "[ . 1 . 2]" 2
171 1 26 LEU MD1 1 29 HIS HD2 . . 3.740 3.093 2.534 3.476 . 0 0 "[ . 1 . 2]" 2
172 1 10 PRO HB3 1 11 TYR QE . . 5.500 5.226 4.926 5.473 . 0 0 "[ . 1 . 2]" 2
173 1 11 TYR QE 1 26 LEU HB3 . . 5.500 5.231 4.643 5.500 0.000 19 0 "[ . 1 . 2]" 2
174 1 11 TYR QE 1 22 ASP HA . . 3.500 2.463 1.999 2.949 . 0 0 "[ . 1 . 2]" 2
175 1 11 TYR QE 1 23 ASN HA . . 4.610 3.486 2.889 3.734 . 0 0 "[ . 1 . 2]" 2
176 1 10 PRO QD 1 11 TYR QE . . 4.380 4.160 3.625 4.381 0.001 18 0 "[ . 1 . 2]" 2
177 1 11 TYR QE 1 22 ASP QB . . 4.740 4.410 3.619 4.739 . 0 0 "[ . 1 . 2]" 2
178 1 10 PRO HG3 1 11 TYR QE . . 4.740 3.800 3.553 4.142 . 0 0 "[ . 1 . 2]" 2
179 1 10 PRO HG2 1 11 TYR QE . . 4.740 2.840 2.568 3.111 . 0 0 "[ . 1 . 2]" 2
180 1 10 PRO HB2 1 11 TYR QE . . 4.670 4.093 3.625 4.513 . 0 0 "[ . 1 . 2]" 2
181 1 11 TYR QE 1 26 LEU MD2 . . 4.440 4.091 3.672 4.435 . 0 0 "[ . 1 . 2]" 2
182 1 18 GLU HB3 1 29 HIS HE1 . . 4.930 4.248 3.535 4.923 . 0 0 "[ . 1 . 2]" 2
183 1 16 CYS HB2 1 33 HIS HE1 . . 4.190 3.857 3.626 4.188 . 0 0 "[ . 1 . 2]" 2
184 1 16 CYS HB3 1 33 HIS HE1 . . 4.190 2.281 1.998 2.656 . 0 0 "[ . 1 . 2]" 2
185 1 34 THR HB 1 35 VAL H . . 4.470 3.888 2.745 4.470 0.000 15 0 "[ . 1 . 2]" 2
186 1 26 LEU MD1 1 27 VAL H . . 5.070 4.486 4.295 4.617 . 0 0 "[ . 1 . 2]" 2
187 1 12 SER HA 1 26 LEU MD1 . . 4.700 3.575 3.231 3.995 . 0 0 "[ . 1 . 2]" 2
188 1 26 LEU MD1 1 30 GLN HB2 . . 5.500 5.043 4.803 5.221 . 0 0 "[ . 1 . 2]" 2
189 1 13 CYS H 1 26 LEU MD1 . . 4.320 3.604 3.173 3.992 . 0 0 "[ . 1 . 2]" 2
190 1 12 SER H 1 26 LEU MD1 . . 4.650 3.567 3.204 4.338 . 0 0 "[ . 1 . 2]" 2
191 1 20 PHE QD 1 26 LEU MD1 . . 3.410 2.089 1.972 2.302 . 0 0 "[ . 1 . 2]" 2
192 1 20 PHE QE 1 26 LEU MD1 . . 3.520 2.430 2.176 2.640 . 0 0 "[ . 1 . 2]" 2
193 1 13 CYS HA 1 26 LEU MD1 . . 3.460 2.879 2.383 3.354 . 0 0 "[ . 1 . 2]" 2
194 1 12 SER QB 1 26 LEU MD1 . . 5.390 4.670 4.337 5.127 . 0 0 "[ . 1 . 2]" 2
195 1 26 LEU MD1 1 27 VAL HA . . 5.500 4.880 4.465 5.067 . 0 0 "[ . 1 . 2]" 2
196 1 26 LEU MD1 1 30 GLN HA . . 5.500 4.716 4.328 4.987 . 0 0 "[ . 1 . 2]" 2
197 1 13 CYS HB3 1 26 LEU MD1 . . 4.330 4.117 3.740 4.330 0.000 19 0 "[ . 1 . 2]" 2
198 1 13 CYS HB2 1 26 LEU MD1 . . 3.400 2.742 2.377 3.031 . 0 0 "[ . 1 . 2]" 2
199 1 26 LEU MD1 1 30 GLN HG3 . . 3.840 3.050 2.830 3.350 . 0 0 "[ . 1 . 2]" 2
200 1 26 LEU HB2 1 26 LEU MD1 . . 3.540 2.159 2.093 2.292 . 0 0 "[ . 1 . 2]" 2
201 1 27 VAL HA 1 27 VAL MG1 . . 3.250 2.577 2.324 3.204 . 0 0 "[ . 1 . 2]" 2
202 1 11 TYR H 1 19 THR MG . . 5.360 5.029 4.755 5.353 . 0 0 "[ . 1 . 2]" 2
203 1 19 THR H 1 19 THR MG . . 3.790 2.840 2.462 3.269 . 0 0 "[ . 1 . 2]" 2
204 1 19 THR HA 1 19 THR MG . . 3.290 2.256 2.120 2.353 . 0 0 "[ . 1 . 2]" 2
205 1 12 SER QB 1 19 THR MG . . 3.490 3.224 2.862 3.489 . 0 0 "[ . 1 . 2]" 2
206 1 38 GLY HA3 1 39 PRO QD . . 3.580 2.433 1.958 3.445 . 0 0 "[ . 1 . 2]" 2
207 1 38 GLY HA2 1 39 PRO QD . . 3.580 2.539 1.996 3.471 . 0 0 "[ . 1 . 2]" 2
208 1 11 TYR QB 1 20 PHE HB3 . . 4.060 3.648 3.448 4.018 . 0 0 "[ . 1 . 2]" 2
209 1 20 PHE HB3 1 25 ARG QB . . 3.420 2.492 2.305 2.813 . 0 0 "[ . 1 . 2]" 2
210 1 20 PHE HB3 1 26 LEU HB2 . . 4.390 3.535 3.011 3.942 . 0 0 "[ . 1 . 2]" 2
211 1 20 PHE HB2 1 22 ASP H . . 4.340 3.994 2.960 4.337 . 0 0 "[ . 1 . 2]" 2
212 1 11 TYR QB 1 20 PHE HB2 . . 3.500 2.245 2.056 2.545 . 0 0 "[ . 1 . 2]" 2
213 1 20 PHE HB2 1 26 LEU HB3 . . 4.580 4.139 3.740 4.526 . 0 0 "[ . 1 . 2]" 2
214 1 20 PHE HB2 1 25 ARG QB . . 4.020 3.781 3.486 3.999 . 0 0 "[ . 1 . 2]" 2
215 1 20 PHE HB2 1 26 LEU HB2 . . 3.940 2.611 2.201 2.920 . 0 0 "[ . 1 . 2]" 2
216 1 20 PHE HB2 1 26 LEU MD1 . . 4.660 3.332 2.987 3.547 . 0 0 "[ . 1 . 2]" 2
217 1 27 VAL H 1 27 VAL MG2 . . 3.910 2.466 1.969 3.764 . 0 0 "[ . 1 . 2]" 2
218 1 24 ASN HA 1 27 VAL MG2 . . 4.350 3.152 2.437 4.351 0.001 4 0 "[ . 1 . 2]" 2
219 1 27 VAL HA 1 30 GLN H . . 3.970 3.690 3.330 3.958 . 0 0 "[ . 1 . 2]" 2
220 1 27 VAL HA 1 31 LYS H . . 5.140 4.801 4.516 5.095 . 0 0 "[ . 1 . 2]" 2
221 1 27 VAL HA 1 30 GLN HG3 . . 3.930 3.255 2.600 3.824 . 0 0 "[ . 1 . 2]" 2
222 1 27 VAL HA 1 30 GLN HB2 . . 3.470 3.077 2.685 3.451 . 0 0 "[ . 1 . 2]" 2
223 1 26 LEU HG 1 27 VAL HA . . 4.000 3.540 3.222 3.869 . 0 0 "[ . 1 . 2]" 2
224 1 27 VAL HA 1 27 VAL MG2 . . 3.250 2.332 2.217 2.432 . 0 0 "[ . 1 . 2]" 2
225 1 26 LEU H 1 27 VAL HA . . 5.500 5.327 5.225 5.420 . 0 0 "[ . 1 . 2]" 2
226 1 27 VAL HA 1 30 GLN HE22 . . 5.500 4.726 4.079 5.314 . 0 0 "[ . 1 . 2]" 2
227 1 22 ASP QB 1 25 ARG QB . . 4.190 3.389 2.979 4.059 . 0 0 "[ . 1 . 2]" 2
228 1 22 ASP QB 1 23 ASN H . . 3.990 2.712 2.049 3.340 . 0 0 "[ . 1 . 2]" 2
229 1 11 TYR QD 1 22 ASP QB . . 5.310 4.901 4.636 5.124 . 0 0 "[ . 1 . 2]" 2
230 1 22 ASP QB 1 26 LEU H . . 5.500 4.643 4.311 5.230 . 0 0 "[ . 1 . 2]" 2
231 1 25 ARG H 1 25 ARG HD3 . . 5.150 4.527 3.482 5.129 . 0 0 "[ . 1 . 2]" 2
232 1 20 PHE QD 1 25 ARG HD3 . . 5.010 3.759 2.906 4.963 . 0 0 "[ . 1 . 2]" 2
233 1 25 ARG QB 1 25 ARG HD3 . . 3.650 2.509 2.088 3.243 . 0 0 "[ . 1 . 2]" 2
234 1 20 PHE QD 1 25 ARG HD2 . . 5.010 4.026 2.846 5.010 . 0 0 "[ . 1 . 2]" 2
235 1 25 ARG QB 1 25 ARG HD2 . . 3.650 2.520 2.055 3.284 . 0 0 "[ . 1 . 2]" 2
236 1 14 ALA MB 1 15 GLU H . . 3.850 3.441 2.668 3.648 . 0 0 "[ . 1 . 2]" 2
237 1 13 CYS HA 1 14 ALA MB . . 4.560 3.938 3.865 3.996 . 0 0 "[ . 1 . 2]" 2
238 1 11 TYR QB 1 26 LEU HB3 . . 4.110 3.416 2.916 3.825 . 0 0 "[ . 1 . 2]" 2
239 1 11 TYR QB 1 26 LEU HB2 . . 3.750 2.612 2.188 2.851 . 0 0 "[ . 1 . 2]" 2
240 1 26 LEU HB2 1 26 LEU MD2 . . 3.650 2.534 2.364 2.662 . 0 0 "[ . 1 . 2]" 2
241 1 10 PRO HA 1 11 TYR QB . . 5.500 5.449 5.384 5.511 0.011 18 0 "[ . 1 . 2]" 2
242 1 34 THR HA 1 34 THR MG . . 3.350 2.673 2.180 3.200 . 0 0 "[ . 1 . 2]" 2
243 1 34 THR HA 1 35 VAL MG1 . . 5.500 4.710 3.547 5.516 0.016 19 0 "[ . 1 . 2]" 2
244 1 34 THR HA 1 35 VAL MG2 . . 5.500 4.291 3.395 5.504 0.004 16 0 "[ . 1 . 2]" 2
245 1 10 PRO HB2 1 11 TYR QB . . 5.360 4.983 4.816 5.115 . 0 0 "[ . 1 . 2]" 2
246 1 11 TYR QB 1 26 LEU HG . . 5.500 4.458 4.259 4.741 . 0 0 "[ . 1 . 2]" 2
247 1 11 TYR QB 1 26 LEU MD1 . . 4.450 2.894 2.506 3.369 . 0 0 "[ . 1 . 2]" 2
248 1 18 GLU HG2 1 19 THR H . . 4.710 3.590 2.098 4.409 . 0 0 "[ . 1 . 2]" 2
249 1 18 GLU H 1 18 GLU HG3 . . 4.950 4.527 4.035 4.811 . 0 0 "[ . 1 . 2]" 2
250 1 18 GLU HG3 1 19 THR H . . 4.710 2.950 1.895 4.470 . 0 0 "[ . 1 . 2]" 2
251 1 18 GLU H 1 18 GLU HG2 . . 4.950 4.518 3.312 4.802 . 0 0 "[ . 1 . 2]" 2
252 1 30 GLN HA 1 30 GLN HG2 . . 3.620 2.376 2.201 2.571 . 0 0 "[ . 1 . 2]" 2
253 1 29 HIS HA 1 32 MET H . . 4.450 3.418 3.199 3.782 . 0 0 "[ . 1 . 2]" 2
254 1 29 HIS HA 1 31 LYS H . . 4.760 4.189 3.848 4.700 . 0 0 "[ . 1 . 2]" 2
255 1 20 PHE QE 1 29 HIS HA . . 5.290 5.010 4.567 5.252 . 0 0 "[ . 1 . 2]" 2
256 1 29 HIS HA 1 29 HIS HB2 . . 2.960 2.332 2.302 2.381 . 0 0 "[ . 1 . 2]" 2
257 1 28 GLN QB 1 29 HIS HA . . 4.900 3.898 3.815 4.037 . 0 0 "[ . 1 . 2]" 2
258 1 29 HIS HA 1 32 MET ME . . 5.330 3.929 1.965 5.329 . 0 0 "[ . 1 . 2]" 2
259 1 29 HIS HA 1 32 MET QB . . 4.140 3.084 2.247 4.050 . 0 0 "[ . 1 . 2]" 2
260 1 15 GLU H 1 15 GLU HG3 . . 4.670 3.982 2.227 4.587 . 0 0 "[ . 1 . 2]" 2
261 1 25 ARG HA 1 25 ARG HD2 . . 5.490 4.366 3.426 4.920 . 0 0 "[ . 1 . 2]" 2
262 1 25 ARG HA 1 25 ARG HD3 . . 5.490 4.183 2.502 4.559 . 0 0 "[ . 1 . 2]" 2
263 1 25 ARG HA 1 25 ARG HG3 . . 3.600 2.965 2.171 3.609 0.009 13 0 "[ . 1 . 2]" 2
264 1 31 LYS HA 1 34 THR H . . 4.720 3.553 2.943 4.317 . 0 0 "[ . 1 . 2]" 2
265 1 31 LYS HA 1 31 LYS HG3 . . 4.110 3.250 2.405 3.850 . 0 0 "[ . 1 . 2]" 2
266 1 31 LYS HA 1 31 LYS HG2 . . 4.110 3.052 2.330 3.901 . 0 0 "[ . 1 . 2]" 2
267 1 31 LYS HA 1 34 THR MG . . 4.320 3.353 1.933 4.293 . 0 0 "[ . 1 . 2]" 2
268 1 28 GLN HA 1 31 LYS QE . . 4.350 3.201 1.890 4.320 . 0 0 "[ . 1 . 2]" 2
269 1 30 GLN H 1 30 GLN HG2 . . 3.990 3.363 3.011 3.781 . 0 0 "[ . 1 . 2]" 2
270 1 28 GLN HA 1 31 LYS H . . 4.520 3.758 3.520 4.111 . 0 0 "[ . 1 . 2]" 2
271 1 26 LEU HA 1 30 GLN H . . 4.590 3.917 3.634 4.151 . 0 0 "[ . 1 . 2]" 2
272 1 26 LEU HA 1 29 HIS H . . 4.010 3.471 3.206 3.687 . 0 0 "[ . 1 . 2]" 2
273 1 20 PHE QE 1 26 LEU HA . . 4.410 3.570 3.332 3.788 . 0 0 "[ . 1 . 2]" 2
274 1 26 LEU HA 1 29 HIS HD2 . . 4.820 4.006 3.487 4.554 . 0 0 "[ . 1 . 2]" 2
275 1 26 LEU HA 1 29 HIS HB2 . . 3.770 3.656 3.479 3.770 0.000 12 0 "[ . 1 . 2]" 2
276 1 26 LEU HA 1 26 LEU HG . . 3.920 3.029 2.909 3.204 . 0 0 "[ . 1 . 2]" 2
277 1 26 LEU HA 1 26 LEU MD1 . . 3.130 2.404 2.062 2.530 . 0 0 "[ . 1 . 2]" 2
278 1 26 LEU HA 1 26 LEU MD2 . . 4.340 3.952 3.892 3.986 . 0 0 "[ . 1 . 2]" 2
279 1 18 GLU HA 1 19 THR H . . 3.120 2.302 2.149 2.595 . 0 0 "[ . 1 . 2]" 2
280 1 18 GLU HA 1 19 THR MG . . 4.680 3.732 3.556 3.971 . 0 0 "[ . 1 . 2]" 2
281 1 28 GLN HA 1 28 GLN QG . . 3.410 2.400 2.228 2.653 . 0 0 "[ . 1 . 2]" 2
282 1 24 ASN HA 1 28 GLN H . . 4.540 3.964 3.735 4.223 . 0 0 "[ . 1 . 2]" 2
283 1 24 ASN HA 1 26 LEU H . . 5.500 4.508 4.329 4.635 . 0 0 "[ . 1 . 2]" 2
284 1 24 ASN HA 1 28 GLN QG . . 5.500 4.125 3.643 5.184 . 0 0 "[ . 1 . 2]" 2
285 1 24 ASN HA 1 27 VAL HB . . 4.020 3.101 2.709 4.020 0.000 4 0 "[ . 1 . 2]" 2
286 1 24 ASN HA 1 27 VAL MG1 . . 4.350 3.703 1.852 4.347 . 0 0 "[ . 1 . 2]" 2
287 1 35 VAL MG1 1 36 LYS HA . . 5.500 4.303 3.360 5.500 0.000 17 0 "[ . 1 . 2]" 2
288 1 35 VAL MG2 1 36 LYS HA . . 5.500 4.614 3.250 5.521 0.021 18 0 "[ . 1 . 2]" 2
289 1 23 ASN HA 1 26 LEU MD1 . . 4.980 4.909 4.681 4.984 0.004 19 0 "[ . 1 . 2]" 2
290 1 11 TYR QD 1 23 ASN HA . . 3.800 3.258 2.999 3.418 . 0 0 "[ . 1 . 2]" 2
291 1 11 TYR QB 1 23 ASN HA . . 4.220 3.511 3.063 4.059 . 0 0 "[ . 1 . 2]" 2
292 1 23 ASN HA 1 26 LEU HB3 . . 3.160 2.650 2.451 2.804 . 0 0 "[ . 1 . 2]" 2
293 1 23 ASN HA 1 26 LEU HG . . 5.300 5.095 4.745 5.292 . 0 0 "[ . 1 . 2]" 2
294 1 23 ASN HA 1 26 LEU HB2 . . 3.700 3.462 3.130 3.621 . 0 0 "[ . 1 . 2]" 2
295 1 23 ASN HA 1 26 LEU MD2 . . 3.830 3.267 2.931 3.556 . 0 0 "[ . 1 . 2]" 2
296 1 9 LYS QB 1 11 TYR H . . 5.150 2.343 2.167 2.635 . 0 0 "[ . 1 . 2]" 2
297 1 9 LYS QB 1 11 TYR QB . . 5.410 3.419 3.217 3.937 . 0 0 "[ . 1 . 2]" 2
298 1 31 LYS H 1 31 LYS HB3 . . 3.820 3.289 2.210 3.601 . 0 0 "[ . 1 . 2]" 2
299 1 27 VAL H 1 27 VAL HB . . 3.170 2.565 2.464 2.629 . 0 0 "[ . 1 . 2]" 2
300 1 27 VAL HB 1 28 GLN H . . 4.030 2.618 2.105 4.006 . 0 0 "[ . 1 . 2]" 2
301 1 14 ALA HA 1 16 CYS H . . 5.500 4.813 4.448 5.242 . 0 0 "[ . 1 . 2]" 2
302 1 32 MET H 1 32 MET QB . . 3.570 2.287 2.121 2.567 . 0 0 "[ . 1 . 2]" 2
303 1 29 HIS HE1 1 32 MET QB . . 5.390 4.756 4.243 5.287 . 0 0 "[ . 1 . 2]" 2
304 1 14 ALA HA 1 17 LYS H . . 4.920 3.960 3.735 4.135 . 0 0 "[ . 1 . 2]" 2
305 1 16 CYS HB2 1 17 LYS H . . 4.400 4.227 4.069 4.310 . 0 0 "[ . 1 . 2]" 2
306 1 16 CYS HB3 1 17 LYS H . . 4.400 4.291 4.029 4.405 0.005 18 0 "[ . 1 . 2]" 2
307 1 32 MET H 1 32 MET HG2 . . 4.560 3.439 1.931 4.501 . 0 0 "[ . 1 . 2]" 2
308 1 18 GLU H 1 18 GLU HB2 . . 4.170 2.639 2.276 2.878 . 0 0 "[ . 1 . 2]" 2
309 1 18 GLU HB2 1 29 HIS HE1 . . 4.930 4.040 3.496 4.719 . 0 0 "[ . 1 . 2]" 2
310 1 18 GLU H 1 18 GLU HB3 . . 4.170 2.838 2.436 3.541 . 0 0 "[ . 1 . 2]" 2
311 1 13 CYS HB3 1 18 GLU HB3 . . 4.880 3.566 3.049 4.402 . 0 0 "[ . 1 . 2]" 2
312 1 13 CYS HB3 1 17 LYS H . . 4.320 2.654 1.949 2.981 . 0 0 "[ . 1 . 2]" 2
313 1 13 CYS HB3 1 18 GLU H . . 4.490 1.941 1.898 2.059 . 0 0 "[ . 1 . 2]" 2
314 1 13 CYS HB3 1 20 PHE QE . . 3.890 3.533 3.165 3.891 0.001 9 0 "[ . 1 . 2]" 2
315 1 12 SER HA 1 13 CYS HB3 . . 5.120 4.813 4.574 5.079 . 0 0 "[ . 1 . 2]" 2
316 1 13 CYS HB3 1 17 LYS HA . . 4.890 3.472 2.624 3.784 . 0 0 "[ . 1 . 2]" 2
317 1 13 CYS HB3 1 18 GLU HB2 . . 4.880 3.692 2.669 4.315 . 0 0 "[ . 1 . 2]" 2
318 1 13 CYS H 1 13 CYS HB2 . . 3.300 2.665 2.293 3.003 . 0 0 "[ . 1 . 2]" 2
319 1 13 CYS HB2 1 18 GLU H . . 4.280 3.066 2.428 3.494 . 0 0 "[ . 1 . 2]" 2
320 1 13 CYS HB2 1 16 CYS H . . 4.430 4.301 4.139 4.430 . 1 0 "[ . 1 . 2]" 2
321 1 13 CYS HB2 1 20 PHE QE . . 3.180 2.217 2.000 2.684 . 0 0 "[ . 1 . 2]" 2
322 1 12 SER HA 1 13 CYS HB2 . . 4.520 4.302 4.145 4.442 . 0 0 "[ . 1 . 2]" 2
323 1 13 CYS HB2 1 18 GLU HB2 . . 5.040 4.180 2.962 5.005 . 0 0 "[ . 1 . 2]" 2
324 1 13 CYS HB2 1 18 GLU HB3 . . 5.040 3.411 2.883 4.389 . 0 0 "[ . 1 . 2]" 2
325 1 15 GLU H 1 15 GLU HB3 . . 4.130 3.485 2.539 3.847 . 0 0 "[ . 1 . 2]" 2
326 1 17 LYS H 1 17 LYS HB3 . . 4.200 4.078 4.019 4.104 . 0 0 "[ . 1 . 2]" 2
327 1 9 LYS HA 1 9 LYS HD3 . . 5.170 3.586 2.093 4.618 . 0 0 "[ . 1 . 2]" 2
328 1 31 LYS H 1 31 LYS QD . . 4.600 3.672 1.799 4.290 . 0 0 "[ . 1 . 2]" 2
329 1 9 LYS HA 1 9 LYS HD2 . . 5.170 3.350 2.007 4.684 . 0 0 "[ . 1 . 2]" 2
330 1 28 GLN HA 1 31 LYS QD . . 3.990 3.066 1.950 3.994 0.004 20 0 "[ . 1 . 2]" 2
331 1 28 GLN QG 1 31 LYS QD . . 5.350 4.217 3.031 5.350 . 0 0 "[ . 1 . 2]" 2
332 1 31 LYS HA 1 31 LYS QD . . 4.370 3.700 2.422 4.360 . 0 0 "[ . 1 . 2]" 2
333 1 20 PHE QD 1 25 ARG HG3 . . 5.040 4.741 4.198 5.012 . 0 0 "[ . 1 . 2]" 2
334 1 25 ARG H 1 25 ARG HG3 . . 4.160 2.709 1.939 3.632 . 0 0 "[ . 1 . 2]" 2
335 1 25 ARG H 1 25 ARG HG2 . . 4.160 3.546 2.867 4.143 . 0 0 "[ . 1 . 2]" 2
336 1 20 PHE QD 1 25 ARG HG2 . . 5.040 4.392 3.009 5.035 . 0 0 "[ . 1 . 2]" 2
337 1 25 ARG HA 1 25 ARG HG2 . . 3.600 2.572 2.203 3.494 . 0 0 "[ . 1 . 2]" 2
338 1 17 LYS HA 1 17 LYS HD3 . . 4.400 3.292 2.062 4.126 . 0 0 "[ . 1 . 2]" 2
339 1 17 LYS HA 1 17 LYS HD2 . . 4.400 2.940 1.999 4.200 . 0 0 "[ . 1 . 2]" 2
340 1 28 GLN QB 1 29 HIS HB3 . . 4.820 4.582 4.472 4.707 . 0 0 "[ . 1 . 2]" 2
341 1 20 PHE QE 1 29 HIS HB3 . . 4.260 3.507 2.968 3.907 . 0 0 "[ . 1 . 2]" 2
342 1 26 LEU MD1 1 29 HIS HB3 . . 4.190 3.544 3.271 3.773 . 0 0 "[ . 1 . 2]" 2
343 1 20 PHE QE 1 29 HIS HB2 . . 3.870 2.875 2.321 3.193 . 0 0 "[ . 1 . 2]" 2
344 1 28 GLN QB 1 29 HIS HB2 . . 4.900 4.425 4.293 4.610 . 0 0 "[ . 1 . 2]" 2
345 1 29 HIS HB2 1 30 GLN H . . 4.220 3.993 3.775 4.219 . 0 0 "[ . 1 . 2]" 2
346 1 26 LEU MD1 1 29 HIS HB2 . . 5.110 4.806 4.554 5.050 . 0 0 "[ . 1 . 2]" 2
347 1 26 LEU MD1 1 30 GLN HB3 . . 5.500 5.417 5.074 5.503 0.003 19 0 "[ . 1 . 2]" 2
348 1 26 LEU HG 1 30 GLN HG3 . . 4.130 2.498 2.137 2.876 . 0 0 "[ . 1 . 2]" 2
349 1 9 LYS HA 1 10 PRO QD . . 2.690 2.051 1.991 2.152 . 0 0 "[ . 1 . 2]" 2
350 1 9 LYS QB 1 10 PRO QD . . 3.550 2.285 1.978 3.173 . 0 0 "[ . 1 . 2]" 2
351 1 9 LYS HG2 1 10 PRO QD . . 5.170 3.614 2.112 4.385 . 0 0 "[ . 1 . 2]" 2
352 1 9 LYS HA 1 10 PRO HG3 . . 4.890 4.433 4.375 4.538 . 0 0 "[ . 1 . 2]" 2
353 1 9 LYS HA 1 10 PRO HG2 . . 4.890 4.454 4.364 4.598 . 0 0 "[ . 1 . 2]" 2
354 1 26 LEU MD2 1 27 VAL H . . 4.800 3.726 3.403 4.252 . 0 0 "[ . 1 . 2]" 2
355 1 11 TYR HA 1 26 LEU MD2 . . 3.990 3.086 2.301 3.536 . 0 0 "[ . 1 . 2]" 2
356 1 11 TYR QB 1 26 LEU MD2 . . 3.250 2.150 1.944 2.529 . 0 0 "[ . 1 . 2]" 2
357 1 26 LEU HB3 1 26 LEU MD2 . . 3.370 2.172 1.989 2.290 . 0 0 "[ . 1 . 2]" 2
358 1 19 THR H 1 19 THR HB . . 4.030 3.699 3.632 3.838 . 0 0 "[ . 1 . 2]" 2
359 1 19 THR HB 1 20 PHE QD . . 5.160 5.052 4.705 5.160 0.000 17 0 "[ . 1 . 2]" 2
360 1 9 LYS QB 1 19 THR HB . . 3.290 2.227 1.974 2.702 . 0 0 "[ . 1 . 2]" 2
361 1 17 LYS HA 1 17 LYS HG2 . . 4.190 3.093 2.550 3.644 . 0 0 "[ . 1 . 2]" 2
362 1 17 LYS HA 1 17 LYS HG3 . . 4.190 3.336 2.171 3.921 . 0 0 "[ . 1 . 2]" 2
363 1 9 LYS HA 1 9 LYS HG3 . . 4.190 2.754 2.168 3.840 . 0 0 "[ . 1 . 2]" 2
364 1 9 LYS HG3 1 10 PRO QD . . 5.170 3.252 1.976 4.435 . 0 0 "[ . 1 . 2]" 2
365 1 11 TYR QD 1 22 ASP HA . . 4.240 3.390 2.811 3.840 . 0 0 "[ . 1 . 2]" 2
366 1 9 LYS HA 1 9 LYS HG2 . . 4.190 3.279 2.472 3.591 . 0 0 "[ . 1 . 2]" 2
367 1 12 SER HA 1 19 THR MG . . 3.800 3.401 2.986 3.768 . 0 0 "[ . 1 . 2]" 2
368 1 12 SER HA 1 20 PHE QD . . 4.450 3.393 2.802 4.023 . 0 0 "[ . 1 . 2]" 2
369 1 12 SER HA 1 20 PHE QE . . 4.780 4.200 3.755 4.781 0.001 8 0 "[ . 1 . 2]" 2
370 1 12 SER HA 1 19 THR HB . . 5.210 4.814 4.432 5.186 . 0 0 "[ . 1 . 2]" 2
371 1 10 PRO QD 1 21 SER HA . . 4.330 3.696 2.844 4.314 . 0 0 "[ . 1 . 2]" 2
372 1 8 GLU H 1 8 GLU QB . . 3.600 2.675 2.247 3.340 . 0 0 "[ . 1 . 2]" 2
373 1 8 GLU H 1 8 GLU QG . . 4.490 2.801 2.040 4.079 . 0 0 "[ . 1 . 2]" 2
374 1 8 GLU HA 1 8 GLU QG . . 3.680 2.957 2.274 3.467 . 0 0 "[ . 1 . 2]" 2
375 1 9 LYS H 1 9 LYS QG . . 4.400 3.359 2.351 4.233 . 0 0 "[ . 1 . 2]" 2
376 1 9 LYS HA 1 9 LYS QG . . 3.630 2.417 2.148 2.976 . 0 0 "[ . 1 . 2]" 2
377 1 9 LYS HA 1 10 PRO QG . . 4.230 3.959 3.893 4.069 . 0 0 "[ . 1 . 2]" 2
378 1 9 LYS QB 1 21 SER QB . . 5.340 4.890 4.209 5.348 0.008 19 0 "[ . 1 . 2]" 2
379 1 9 LYS QG 1 10 PRO QD . . 4.360 2.975 1.814 3.913 . 0 0 "[ . 1 . 2]" 2
380 1 9 LYS QG 1 21 SER HA . . 4.290 2.763 1.873 4.157 . 0 0 "[ . 1 . 2]" 2
381 1 9 LYS QG 1 21 SER QB . . 4.550 3.774 2.558 4.548 . 0 0 "[ . 1 . 2]" 2
382 1 9 LYS QD 1 21 SER HA . . 5.340 3.477 1.985 4.708 . 0 0 "[ . 1 . 2]" 2
383 1 9 LYS QD 1 21 SER QB . . 5.180 4.140 2.789 5.112 . 0 0 "[ . 1 . 2]" 2
384 1 10 PRO QG 1 11 TYR H . . 4.090 2.930 2.521 3.246 . 0 0 "[ . 1 . 2]" 2
385 1 10 PRO QG 1 11 TYR QD . . 3.820 2.637 2.249 3.083 . 0 0 "[ . 1 . 2]" 2
386 1 10 PRO QG 1 11 TYR QE . . 3.900 2.764 2.515 3.021 . 0 0 "[ . 1 . 2]" 2
387 1 10 PRO QG 1 21 SER HA . . 5.200 4.668 3.918 5.200 . 0 0 "[ . 1 . 2]" 2
388 1 11 TYR QD 1 23 ASN QB . . 4.310 3.479 3.107 3.785 . 0 0 "[ . 1 . 2]" 2
389 1 11 TYR QE 1 23 ASN QB . . 3.660 2.277 2.025 2.738 . 0 0 "[ . 1 . 2]" 2
390 1 13 CYS HA 1 30 GLN QE . . 4.480 4.057 3.299 4.479 . 0 0 "[ . 1 . 2]" 2
391 1 13 CYS HB2 1 18 GLU QB . . 4.280 3.152 2.836 3.485 . 0 0 "[ . 1 . 2]" 2
392 1 15 GLU H 1 15 GLU QB . . 3.410 2.489 2.214 2.714 . 0 0 "[ . 1 . 2]" 2
393 1 15 GLU H 1 15 GLU QG . . 4.090 3.384 2.200 4.096 0.006 10 0 "[ . 1 . 2]" 2
394 1 15 GLU HA 1 15 GLU QG . . 3.590 2.546 2.249 2.954 . 0 0 "[ . 1 . 2]" 2
395 1 15 GLU QB 1 16 CYS H . . 3.480 2.387 2.099 2.647 . 0 0 "[ . 1 . 2]" 2
396 1 16 CYS H 1 16 CYS QB . . 3.620 2.867 2.632 3.043 . 0 0 "[ . 1 . 2]" 2
397 1 16 CYS QB 1 17 LYS H . . 3.830 3.792 3.623 3.832 0.002 16 0 "[ . 1 . 2]" 2
398 1 16 CYS QB 1 33 HIS HE1 . . 3.380 2.264 1.989 2.626 . 0 0 "[ . 1 . 2]" 2
399 1 17 LYS H 1 17 LYS QB . . 3.500 3.314 3.183 3.453 . 0 0 "[ . 1 . 2]" 2
400 1 17 LYS H 1 17 LYS QG . . 3.700 2.998 2.684 3.525 . 0 0 "[ . 1 . 2]" 2
401 1 17 LYS H 1 17 LYS QD . . 4.240 3.236 2.246 4.139 . 0 0 "[ . 1 . 2]" 2
402 1 17 LYS HA 1 17 LYS QG . . 3.680 2.642 2.150 2.972 . 0 0 "[ . 1 . 2]" 2
403 1 18 GLU H 1 18 GLU QB . . 3.600 2.383 2.249 2.488 . 0 0 "[ . 1 . 2]" 2
404 1 18 GLU H 1 18 GLU QG . . 4.200 4.010 3.197 4.192 . 0 0 "[ . 1 . 2]" 2
405 1 18 GLU HA 1 18 GLU QG . . 3.670 2.574 2.254 2.976 . 0 0 "[ . 1 . 2]" 2
406 1 18 GLU QB 1 19 THR H . . 3.740 3.260 2.053 3.724 . 0 0 "[ . 1 . 2]" 2
407 1 18 GLU QB 1 20 PHE QE . . 3.580 2.456 2.223 3.051 . 0 0 "[ . 1 . 2]" 2
408 1 18 GLU QB 1 20 PHE HZ . . 3.570 2.754 2.360 3.226 . 0 0 "[ . 1 . 2]" 2
409 1 18 GLU QG 1 19 THR H . . 4.090 2.615 1.887 3.857 . 0 0 "[ . 1 . 2]" 2
410 1 18 GLU QG 1 20 PHE QE . . 4.840 3.508 2.879 4.311 . 0 0 "[ . 1 . 2]" 2
411 1 18 GLU QG 1 20 PHE HZ . . 4.410 3.260 2.434 3.897 . 0 0 "[ . 1 . 2]" 2
412 1 18 GLU QG 1 29 HIS HE1 . . 4.780 4.063 2.773 4.768 . 0 0 "[ . 1 . 2]" 2
413 1 21 SER QB 1 22 ASP H . . 4.180 3.200 2.253 4.039 . 0 0 "[ . 1 . 2]" 2
414 1 22 ASP H 1 25 ARG QG . . 5.250 4.127 3.333 5.042 . 0 0 "[ . 1 . 2]" 2
415 1 22 ASP H 1 25 ARG QD . . 5.100 3.395 2.002 5.086 . 0 0 "[ . 1 . 2]" 2
416 1 22 ASP QB 1 23 ASN QB . . 4.730 4.390 3.764 4.730 . 0 0 "[ . 1 . 2]" 2
417 1 22 ASP QB 1 25 ARG QG . . 4.570 3.229 2.016 4.411 . 0 0 "[ . 1 . 2]" 2
418 1 23 ASN QB 1 23 ASN QD . . 3.060 2.144 2.072 2.419 . 0 0 "[ . 1 . 2]" 2
419 1 23 ASN QB 1 24 ASN H . . 4.190 2.771 2.246 3.328 . 0 0 "[ . 1 . 2]" 2
420 1 23 ASN QB 1 24 ASN HA . . 5.170 4.307 3.940 4.573 . 0 0 "[ . 1 . 2]" 2
421 1 23 ASN QB 1 27 VAL QG . . 4.500 3.545 2.638 4.128 . 0 0 "[ . 1 . 2]" 2
422 1 23 ASN QD 1 24 ASN HA . . 4.980 4.050 2.724 4.852 . 0 0 "[ . 1 . 2]" 2
423 1 23 ASN QD 1 27 VAL QG . . 3.480 2.449 1.824 3.306 . 0 0 "[ . 1 . 2]" 2
424 1 24 ASN H 1 24 ASN QB . . 3.320 2.366 2.142 2.803 . 0 0 "[ . 1 . 2]" 2
425 1 24 ASN HA 1 27 VAL QG . . 3.400 2.632 1.850 3.097 . 0 0 "[ . 1 . 2]" 2
426 1 24 ASN QB 1 25 ARG H . . 3.240 2.574 2.165 3.241 0.001 12 0 "[ . 1 . 2]" 2
427 1 24 ASN QB 1 25 ARG HA . . 4.770 3.955 3.735 4.434 . 0 0 "[ . 1 . 2]" 2
428 1 24 ASN QB 1 27 VAL QG . . 5.280 4.160 3.520 4.526 . 0 0 "[ . 1 . 2]" 2
429 1 25 ARG H 1 25 ARG QG . . 3.590 2.566 1.929 3.354 . 0 0 "[ . 1 . 2]" 2
430 1 25 ARG H 1 25 ARG QD . . 4.380 3.757 1.931 4.359 . 0 0 "[ . 1 . 2]" 2
431 1 25 ARG HA 1 25 ARG QG . . 2.750 2.317 2.150 2.565 . 0 0 "[ . 1 . 2]" 2
432 1 25 ARG HA 1 25 ARG QD . . 4.730 3.758 2.469 4.201 . 0 0 "[ . 1 . 2]" 2
433 1 26 LEU H 1 27 VAL QG . . 4.560 4.032 3.549 4.253 . 0 0 "[ . 1 . 2]" 2
434 1 26 LEU MD1 1 30 GLN QE . . 3.800 2.807 2.274 3.398 . 0 0 "[ . 1 . 2]" 2
435 1 26 LEU MD2 1 30 GLN QE . . 3.920 2.534 1.944 3.236 . 0 0 "[ . 1 . 2]" 2
436 1 27 VAL H 1 27 VAL QG . . 2.910 2.136 1.963 2.278 . 0 0 "[ . 1 . 2]" 2
437 1 27 VAL HA 1 27 VAL QG . . 2.840 2.146 2.070 2.360 . 0 0 "[ . 1 . 2]" 2
438 1 27 VAL QG 1 28 GLN H . . 3.540 2.790 1.843 3.180 . 0 0 "[ . 1 . 2]" 2
439 1 27 VAL QG 1 28 GLN HA . . 4.160 3.267 3.012 3.444 . 0 0 "[ . 1 . 2]" 2
440 1 27 VAL QG 1 29 HIS H . . 5.440 4.329 3.791 4.571 . 0 0 "[ . 1 . 2]" 2
441 1 27 VAL QG 1 30 GLN HB2 . . 4.550 3.819 3.412 4.155 . 0 0 "[ . 1 . 2]" 2
442 1 27 VAL QG 1 30 GLN HB3 . . 5.440 4.975 4.567 5.335 . 0 0 "[ . 1 . 2]" 2
443 1 27 VAL QG 1 30 GLN HG3 . . 5.440 4.361 3.787 4.776 . 0 0 "[ . 1 . 2]" 2
444 1 27 VAL QG 1 31 LYS QE . . 4.350 3.349 2.015 4.350 . 0 0 "[ . 1 . 2]" 2
445 1 28 GLN HA 1 31 LYS QG . . 3.640 2.958 2.039 3.641 0.001 19 0 "[ . 1 . 2]" 2
446 1 29 HIS HA 1 32 MET QG . . 4.370 3.375 1.990 4.368 . 0 0 "[ . 1 . 2]" 2
447 1 30 GLN H 1 31 LYS QB . . 5.340 4.860 4.591 5.024 . 0 0 "[ . 1 . 2]" 2
448 1 30 GLN HA 1 30 GLN QE . . 5.340 4.665 4.328 4.880 . 0 0 "[ . 1 . 2]" 2
449 1 30 GLN HA 1 33 HIS QB . . 4.480 3.340 2.705 3.836 . 0 0 "[ . 1 . 2]" 2
450 1 30 GLN QE 1 30 GLN HG2 . . 3.380 2.583 2.201 3.023 . 0 0 "[ . 1 . 2]" 2
451 1 31 LYS H 1 31 LYS QB . . 2.990 2.434 2.188 2.622 . 0 0 "[ . 1 . 2]" 2
452 1 31 LYS H 1 31 LYS QG . . 3.260 2.324 1.885 3.278 0.018 19 0 "[ . 1 . 2]" 2
453 1 31 LYS HA 1 31 LYS QG . . 3.450 2.710 2.286 3.342 . 0 0 "[ . 1 . 2]" 2
454 1 31 LYS QB 1 32 MET H . . 3.570 2.824 2.413 3.569 . 0 0 "[ . 1 . 2]" 2
455 1 31 LYS QE 1 31 LYS QG . . 3.490 2.165 2.072 2.408 . 0 0 "[ . 1 . 2]" 2
456 1 32 MET H 1 32 MET QG . . 3.810 2.781 1.919 3.815 0.005 16 0 "[ . 1 . 2]" 2
457 1 32 MET QG 1 33 HIS H . . 5.110 4.140 2.128 4.562 . 0 0 "[ . 1 . 2]" 2
458 1 33 HIS H 1 33 HIS QB . . 3.230 2.276 2.164 2.415 . 0 0 "[ . 1 . 2]" 2
459 1 33 HIS QB 1 33 HIS HD2 . . 3.400 2.639 2.624 2.729 . 0 0 "[ . 1 . 2]" 2
460 1 35 VAL H 1 35 VAL QG . . 3.710 2.306 1.831 2.913 . 0 0 "[ . 1 . 2]" 2
461 1 35 VAL QG 1 36 LYS H . . 4.610 2.721 1.875 3.665 . 0 0 "[ . 1 . 2]" 2
462 1 36 LYS H 1 36 LYS QG . . 4.730 3.287 1.975 4.214 . 0 0 "[ . 1 . 2]" 2
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