NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506211 |
1wys   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wys
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 26
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 15.402
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_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 17 CYS 0.172 0.010 13 0 "[ . 1 . 2]"
1 22 CYS 0.092 0.008 9 0 "[ . 1 . 2]"
1 32 CYS 0.126 0.012 1 0 "[ . 1 . 2]"
1 35 CYS 0.184 0.020 20 0 "[ . 1 . 2]"
1 40 CYS 0.200 0.016 10 0 "[ . 1 . 2]"
1 43 HIS 0.031 0.005 15 0 "[ . 1 . 2]"
1 49 HIS 0.038 0.011 20 0 "[ . 1 . 2]"
1 51 CYS 0.042 0.010 20 0 "[ . 1 . 2]"
2 1 ZN 0.320 0.016 10 0 "[ . 1 . 2]"
3 1 ZN 0.335 0.020 20 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 17 CYS SG 2 1 ZN ZN . 2.330 2.370 2.329 2.321 2.359 0.009 10 0 "[ . 1 . 2]" 1
2 1 22 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.322 2.370 0.008 9 0 "[ . 1 . 2]" 1
3 1 40 CYS SG 2 1 ZN ZN . 2.330 2.370 2.325 2.314 2.331 0.016 10 0 "[ . 1 . 2]" 1
4 1 43 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.338 2.325 2.372 0.005 15 0 "[ . 1 . 2]" 1
5 1 17 CYS CB 2 1 ZN ZN . 3.250 3.510 3.340 3.246 3.514 0.004 19 0 "[ . 1 . 2]" 1
6 1 22 CYS CB 2 1 ZN ZN . 3.250 3.510 3.301 3.242 3.420 0.008 2 0 "[ . 1 . 2]" 1
7 1 40 CYS CB 2 1 ZN ZN . 3.250 3.510 3.489 3.319 3.518 0.008 10 0 "[ . 1 . 2]" 1
8 1 17 CYS SG 1 22 CYS SG . 3.200 4.000 3.950 3.657 4.006 0.006 10 0 "[ . 1 . 2]" 1
9 1 17 CYS SG 1 40 CYS SG . 3.200 4.000 3.997 3.959 4.010 0.010 13 0 "[ . 1 . 2]" 1
10 1 17 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.916 3.703 4.003 0.003 11 0 "[ . 1 . 2]" 1
11 1 22 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.379 3.199 3.685 0.001 14 0 "[ . 1 . 2]" 1
12 1 22 CYS SG 1 40 CYS SG . 3.200 4.000 3.956 3.776 4.003 0.003 2 0 "[ . 1 . 2]" 1
13 1 40 CYS SG 1 43 HIS ND1 . 3.200 4.000 3.373 3.203 3.683 . 0 0 "[ . 1 . 2]" 1
14 1 32 CYS SG 3 1 ZN ZN . 2.330 2.370 2.329 2.321 2.341 0.009 1 0 "[ . 1 . 2]" 1
15 1 35 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.315 2.346 0.015 20 0 "[ . 1 . 2]" 1
16 1 49 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.351 2.328 2.381 0.011 20 0 "[ . 1 . 2]" 1
17 1 51 CYS SG 3 1 ZN ZN . 2.330 2.370 2.348 2.321 2.372 0.009 20 0 "[ . 1 . 2]" 1
18 1 32 CYS CB 3 1 ZN ZN . 3.250 3.510 3.513 3.500 3.522 0.012 1 0 "[ . 1 . 2]" 1
19 1 35 CYS CB 3 1 ZN ZN . 3.250 3.510 3.507 3.467 3.530 0.020 20 0 "[ . 1 . 2]" 1
20 1 51 CYS CB 3 1 ZN ZN . 3.250 3.510 3.377 3.245 3.472 0.005 1 0 "[ . 1 . 2]" 1
21 1 32 CYS SG 1 35 CYS SG . 3.200 4.000 3.937 3.863 4.005 0.005 4 0 "[ . 1 . 2]" 1
22 1 32 CYS SG 1 51 CYS SG . 3.200 4.000 3.873 3.650 4.001 0.001 5 0 "[ . 1 . 2]" 1
23 1 32 CYS SG 1 49 HIS NE2 . 3.200 4.000 3.865 3.639 3.970 . 0 0 "[ . 1 . 2]" 1
24 1 35 CYS SG 1 49 HIS NE2 . 3.200 4.000 3.859 3.585 4.002 0.002 13 0 "[ . 1 . 2]" 1
25 1 35 CYS SG 1 51 CYS SG . 3.200 4.000 3.935 3.711 4.010 0.010 20 0 "[ . 1 . 2]" 1
26 1 49 HIS NE2 1 51 CYS SG . 3.200 4.000 3.287 3.198 3.484 0.002 13 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 736
_Distance_constraint_stats_list.Viol_count 473
_Distance_constraint_stats_list.Viol_total 214.640
_Distance_constraint_stats_list.Viol_max 0.309
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0227
_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 9 ALA 0.029 0.029 5 0 "[ . 1 . 2]"
1 10 GLU 0.115 0.076 17 0 "[ . 1 . 2]"
1 11 LEU 0.258 0.076 17 0 "[ . 1 . 2]"
1 12 ASP 0.144 0.055 18 0 "[ . 1 . 2]"
1 13 ILE 0.427 0.065 15 0 "[ . 1 . 2]"
1 14 GLY 0.349 0.065 19 0 "[ . 1 . 2]"
1 15 GLN 0.073 0.018 19 0 "[ . 1 . 2]"
1 16 HIS 0.015 0.006 19 0 "[ . 1 . 2]"
1 17 CYS 0.163 0.021 8 0 "[ . 1 . 2]"
1 18 GLN 1.198 0.091 11 0 "[ . 1 . 2]"
1 19 VAL 1.307 0.055 10 0 "[ . 1 . 2]"
1 20 GLN 0.002 0.002 5 0 "[ . 1 . 2]"
1 21 HIS 0.093 0.023 7 0 "[ . 1 . 2]"
1 22 CYS 0.812 0.105 13 0 "[ . 1 . 2]"
1 23 ARG 0.652 0.105 13 0 "[ . 1 . 2]"
1 24 GLN 0.188 0.051 9 0 "[ . 1 . 2]"
1 25 ARG 0.003 0.002 6 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.437 0.078 9 0 "[ . 1 . 2]"
1 28 LEU 0.143 0.061 4 0 "[ . 1 . 2]"
1 29 PRO 0.143 0.061 4 0 "[ . 1 . 2]"
1 30 PHE 0.840 0.076 10 0 "[ . 1 . 2]"
1 31 VAL 0.397 0.076 10 0 "[ . 1 . 2]"
1 32 CYS 1.501 0.090 1 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.213 0.072 20 0 "[ . 1 . 2]"
1 35 CYS 0.647 0.090 1 0 "[ . 1 . 2]"
1 36 SER 0.145 0.026 15 0 "[ . 1 . 2]"
1 37 GLY 0.109 0.044 5 0 "[ . 1 . 2]"
1 38 ILE 1.011 0.091 11 0 "[ . 1 . 2]"
1 39 PHE 2.198 0.064 20 0 "[ . 1 . 2]"
1 40 CYS 0.863 0.078 9 0 "[ . 1 . 2]"
1 41 LEU 0.357 0.052 9 0 "[ . 1 . 2]"
1 42 GLU 0.106 0.052 9 0 "[ . 1 . 2]"
1 43 HIS 0.703 0.044 2 0 "[ . 1 . 2]"
1 44 ARG 0.339 0.037 19 0 "[ . 1 . 2]"
1 45 SER 0.054 0.018 16 0 "[ . 1 . 2]"
1 46 LYS 0.501 0.101 20 0 "[ . 1 . 2]"
1 47 ASP 0.128 0.116 20 0 "[ . 1 . 2]"
1 48 SER 0.267 0.116 20 0 "[ . 1 . 2]"
1 49 HIS 0.188 0.042 5 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.247 0.101 20 0 "[ . 1 . 2]"
1 52 SER 0.003 0.003 18 0 "[ . 1 . 2]"
1 53 GLU 0.049 0.012 15 0 "[ . 1 . 2]"
1 54 VAL 0.635 0.309 18 0 "[ . 1 . 2]"
1 55 ASN 0.141 0.056 15 0 "[ . 1 . 2]"
1 56 VAL 0.762 0.229 14 0 "[ . 1 . 2]"
1 57 VAL 0.581 0.229 14 0 "[ . 1 . 2]"
1 58 LYS 0.113 0.061 15 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.199 0.199 3 0 "[ . 1 . 2]"
1 61 PRO 0.322 0.199 3 0 "[ . 1 . 2]"
1 62 LYS 0.123 0.105 12 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 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 57 VAL HB 1 58 LYS H . . 4.720 4.158 3.858 4.643 . 0 0 "[ . 1 . 2]" 2
2 1 58 LYS H 1 58 LYS HG2 . . 5.060 3.632 2.244 5.121 0.061 15 0 "[ . 1 . 2]" 2
3 1 58 LYS H 1 58 LYS HG3 . . 5.060 3.573 2.040 4.780 . 0 0 "[ . 1 . 2]" 2
4 1 57 VAL HA 1 58 LYS H . . 3.040 2.324 2.161 2.820 . 0 0 "[ . 1 . 2]" 2
5 1 18 GLN H 1 39 PHE HD1 . . 4.820 2.441 2.289 2.547 . 0 0 "[ . 1 . 2]" 2
6 1 18 GLN H 1 38 ILE MG . . 5.150 4.931 4.510 5.049 . 0 0 "[ . 1 . 2]" 2
7 1 17 CYS HB3 1 18 GLN H . . 4.530 4.302 4.214 4.374 . 0 0 "[ . 1 . 2]" 2
8 1 17 CYS H 1 18 GLN H . . 4.440 4.326 4.215 4.415 . 0 0 "[ . 1 . 2]" 2
9 1 18 GLN H 1 38 ILE H . . 4.590 4.584 4.479 4.681 0.091 11 0 "[ . 1 . 2]" 2
10 1 18 GLN H 1 39 PHE HZ . . 5.500 5.421 5.326 5.530 0.030 11 0 "[ . 1 . 2]" 2
11 1 18 GLN H 1 39 PHE HA . . 3.680 3.516 3.386 3.592 . 0 0 "[ . 1 . 2]" 2
12 1 17 CYS HA 1 18 GLN H . . 2.870 2.167 2.144 2.213 . 0 0 "[ . 1 . 2]" 2
13 1 18 GLN H 1 18 GLN HG3 . . 4.120 3.514 2.379 3.794 . 0 0 "[ . 1 . 2]" 2
14 1 18 GLN H 1 18 GLN HG2 . . 4.120 2.428 2.215 3.111 . 0 0 "[ . 1 . 2]" 2
15 1 18 GLN H 1 18 GLN HB3 . . 3.640 3.599 3.573 3.621 . 0 0 "[ . 1 . 2]" 2
16 1 18 GLN H 1 18 GLN HB2 . . 3.150 2.457 2.350 2.535 . 0 0 "[ . 1 . 2]" 2
17 1 18 GLN H 1 19 VAL MG2 . . 4.820 4.093 3.974 4.165 . 0 0 "[ . 1 . 2]" 2
18 1 47 ASP HA 1 50 GLY H . . 4.290 3.444 2.948 3.901 . 0 0 "[ . 1 . 2]" 2
19 1 17 CYS H 1 40 CYS HB3 . . 5.410 5.278 5.052 5.424 0.014 14 0 "[ . 1 . 2]" 2
20 1 56 VAL HA 1 57 VAL H . . 3.170 2.365 2.153 2.801 . 0 0 "[ . 1 . 2]" 2
21 1 56 VAL HB 1 57 VAL H . . 4.440 3.968 1.870 4.449 0.009 11 0 "[ . 1 . 2]" 2
22 1 57 VAL H 1 57 VAL HB . . 3.170 2.676 2.448 3.059 . 0 0 "[ . 1 . 2]" 2
23 1 57 VAL H 1 57 VAL MG1 . . 4.530 3.080 1.962 3.882 . 0 0 "[ . 1 . 2]" 2
24 1 17 CYS H 1 27 PHE HZ . . 4.120 2.102 1.892 2.368 . 0 0 "[ . 1 . 2]" 2
25 1 17 CYS H 1 17 CYS HB2 . . 3.330 2.415 2.322 2.508 . 0 0 "[ . 1 . 2]" 2
26 1 17 CYS H 1 27 PHE QE . . 3.870 2.627 2.126 2.980 . 0 0 "[ . 1 . 2]" 2
27 1 47 ASP H 1 49 HIS H . . 5.040 4.086 3.135 4.782 . 0 0 "[ . 1 . 2]" 2
28 1 48 SER H 1 49 HIS H . . 3.110 2.793 1.790 3.120 0.010 9 0 "[ . 1 . 2]" 2
29 1 49 HIS H 1 50 GLY H . . 3.050 2.675 2.221 2.919 . 0 0 "[ . 1 . 2]" 2
30 1 47 ASP HA 1 49 HIS H . . 4.800 4.365 3.893 4.812 0.012 9 0 "[ . 1 . 2]" 2
31 1 49 HIS H 1 49 HIS HB2 . . 4.110 3.736 3.664 3.829 . 0 0 "[ . 1 . 2]" 2
32 1 46 LYS HA 1 49 HIS H . . 4.210 3.786 3.477 4.068 . 0 0 "[ . 1 . 2]" 2
33 1 49 HIS H 1 49 HIS HB3 . . 4.110 2.786 2.613 3.056 . 0 0 "[ . 1 . 2]" 2
34 1 19 VAL MG2 1 49 HIS H . . 5.500 5.278 4.843 5.513 0.013 1 0 "[ . 1 . 2]" 2
35 1 49 HIS H 1 51 CYS HB2 . . 5.500 4.638 4.229 5.001 . 0 0 "[ . 1 . 2]" 2
36 1 28 LEU H 1 28 LEU MD1 . . 4.530 3.615 2.626 4.036 . 0 0 "[ . 1 . 2]" 2
37 1 27 PHE H 1 28 LEU H . . 4.670 4.468 4.394 4.554 . 0 0 "[ . 1 . 2]" 2
38 1 27 PHE QD 1 28 LEU H . . 4.130 2.588 2.366 2.863 . 0 0 "[ . 1 . 2]" 2
39 1 27 PHE HA 1 28 LEU H . . 2.900 2.552 2.481 2.650 . 0 0 "[ . 1 . 2]" 2
40 1 27 PHE HB2 1 28 LEU H . . 3.750 2.198 1.988 2.336 . 0 0 "[ . 1 . 2]" 2
41 1 27 PHE HB3 1 28 LEU H . . 3.750 3.675 3.522 3.774 0.024 4 0 "[ . 1 . 2]" 2
42 1 28 LEU H 1 28 LEU HG . . 4.170 3.025 2.574 4.083 . 0 0 "[ . 1 . 2]" 2
43 1 19 VAL HB 1 22 CYS H . . 4.180 3.494 3.299 3.636 . 0 0 "[ . 1 . 2]" 2
44 1 19 VAL MG1 1 22 CYS H . . 3.510 1.953 1.856 2.142 . 0 0 "[ . 1 . 2]" 2
45 1 22 CYS H 1 22 CYS HB3 . . 3.160 2.486 2.264 2.709 . 0 0 "[ . 1 . 2]" 2
46 1 22 CYS H 1 22 CYS HB2 . . 3.280 2.595 2.360 2.963 . 0 0 "[ . 1 . 2]" 2
47 1 14 GLY H 1 15 GLN H . . 4.000 3.241 2.093 3.933 . 0 0 "[ . 1 . 2]" 2
48 1 13 ILE H 1 14 GLY H . . 4.350 3.800 2.223 4.415 0.065 19 0 "[ . 1 . 2]" 2
49 1 13 ILE HA 1 14 GLY H . . 3.530 2.561 2.143 3.531 0.001 8 0 "[ . 1 . 2]" 2
50 1 13 ILE HB 1 14 GLY H . . 4.390 3.761 1.895 4.404 0.014 14 0 "[ . 1 . 2]" 2
51 1 13 ILE MG 1 14 GLY H . . 4.060 3.495 2.636 4.080 0.020 18 0 "[ . 1 . 2]" 2
52 1 46 LYS H 1 47 ASP H . . 4.740 2.906 2.548 4.501 . 0 0 "[ . 1 . 2]" 2
53 1 46 LYS H 1 46 LYS HG3 . . 3.770 2.821 2.175 3.789 0.019 14 0 "[ . 1 . 2]" 2
54 1 35 CYS QB 1 52 SER H . . 3.990 3.746 3.452 3.959 . 0 0 "[ . 1 . 2]" 2
55 1 49 HIS HD2 1 52 SER H . . 4.410 4.065 3.801 4.376 . 0 0 "[ . 1 . 2]" 2
56 1 52 SER H 1 52 SER QB . . 3.900 2.347 2.181 2.629 . 0 0 "[ . 1 . 2]" 2
57 1 51 CYS HB2 1 52 SER H . . 4.380 4.224 4.084 4.383 0.003 18 0 "[ . 1 . 2]" 2
58 1 30 PHE H 1 31 VAL H . . 4.580 3.928 3.766 4.115 . 0 0 "[ . 1 . 2]" 2
59 1 30 PHE QD 1 31 VAL H . . 4.430 3.983 3.774 4.184 . 0 0 "[ . 1 . 2]" 2
60 1 30 PHE HA 1 31 VAL H . . 2.720 2.183 2.140 2.237 . 0 0 "[ . 1 . 2]" 2
61 1 30 PHE HB3 1 31 VAL H . . 3.970 3.820 3.556 3.992 0.022 10 0 "[ . 1 . 2]" 2
62 1 30 PHE HB2 1 31 VAL H . . 4.580 4.511 4.397 4.564 . 0 0 "[ . 1 . 2]" 2
63 1 31 VAL H 1 31 VAL HB . . 3.080 2.642 2.480 2.815 . 0 0 "[ . 1 . 2]" 2
64 1 31 VAL H 1 31 VAL MG1 . . 3.280 2.059 1.875 2.266 . 0 0 "[ . 1 . 2]" 2
65 1 31 VAL H 1 31 VAL MG2 . . 4.020 3.755 3.730 3.770 . 0 0 "[ . 1 . 2]" 2
66 1 51 CYS H 1 52 SER H . . 4.660 4.579 4.522 4.625 . 0 0 "[ . 1 . 2]" 2
67 1 17 CYS HA 1 19 VAL H . . 4.520 3.667 3.558 3.751 . 0 0 "[ . 1 . 2]" 2
68 1 59 GLU HA 1 60 ARG H . . 3.120 2.298 2.142 2.712 . 0 0 "[ . 1 . 2]" 2
69 1 60 ARG H 1 60 ARG QG . . 4.360 3.003 1.881 4.008 . 0 0 "[ . 1 . 2]" 2
70 1 19 VAL H 1 39 PHE HD1 . . 4.370 3.799 3.701 3.962 . 0 0 "[ . 1 . 2]" 2
71 1 17 CYS HB3 1 19 VAL H . . 3.820 3.791 3.663 3.841 0.021 8 0 "[ . 1 . 2]" 2
72 1 18 GLN HB2 1 19 VAL H . . 3.260 2.802 2.746 2.892 . 0 0 "[ . 1 . 2]" 2
73 1 19 VAL H 1 19 VAL MG2 . . 3.190 1.902 1.849 2.034 . 0 0 "[ . 1 . 2]" 2
74 1 19 VAL H 1 20 GLN H . . 4.750 4.620 4.550 4.644 . 0 0 "[ . 1 . 2]" 2
75 1 19 VAL H 1 39 PHE HZ . . 5.500 5.519 5.458 5.555 0.055 10 0 "[ . 1 . 2]" 2
76 1 19 VAL H 1 19 VAL MG1 . . 4.040 3.757 3.740 3.765 . 0 0 "[ . 1 . 2]" 2
77 1 32 CYS HB2 1 37 GLY H . . 4.210 3.501 3.402 3.566 . 0 0 "[ . 1 . 2]" 2
78 1 32 CYS H 1 37 GLY H . . 4.430 3.046 2.785 3.268 . 0 0 "[ . 1 . 2]" 2
79 1 32 CYS HB3 1 37 GLY H . . 3.610 1.884 1.851 1.918 . 0 0 "[ . 1 . 2]" 2
80 1 36 SER H 1 37 GLY H . . 3.470 2.794 2.663 3.026 . 0 0 "[ . 1 . 2]" 2
81 1 37 GLY H 1 39 PHE HE1 . . 4.450 4.412 4.358 4.456 0.006 14 0 "[ . 1 . 2]" 2
82 1 37 GLY H 1 39 PHE HZ . . 4.500 3.761 3.582 3.941 . 0 0 "[ . 1 . 2]" 2
83 1 37 GLY H 1 39 PHE HE2 . . 4.930 4.689 4.531 4.801 . 0 0 "[ . 1 . 2]" 2
84 1 36 SER H 1 55 ASN HD22 . . 4.440 4.038 3.488 4.442 0.002 8 0 "[ . 1 . 2]" 2
85 1 22 CYS HB3 1 24 GLN H . . 4.480 3.945 3.295 4.513 0.033 10 0 "[ . 1 . 2]" 2
86 1 24 GLN H 1 24 GLN HG3 . . 3.960 3.692 2.692 3.971 0.011 15 0 "[ . 1 . 2]" 2
87 1 24 GLN H 1 24 GLN HG2 . . 3.960 2.964 2.069 3.989 0.029 9 0 "[ . 1 . 2]" 2
88 1 24 GLN H 1 24 GLN QB . . 3.100 2.321 2.154 2.544 . 0 0 "[ . 1 . 2]" 2
89 1 24 GLN H 1 25 ARG QG . . 5.500 5.067 4.306 5.485 . 0 0 "[ . 1 . 2]" 2
90 1 61 PRO HA 1 62 LYS H . . 3.360 2.459 2.150 3.465 0.105 12 0 "[ . 1 . 2]" 2
91 1 11 LEU H 1 12 ASP H . . 4.150 3.670 1.987 4.205 0.055 18 0 "[ . 1 . 2]" 2
92 1 10 GLU H 1 11 LEU H . . 4.340 3.966 2.609 4.416 0.076 17 0 "[ . 1 . 2]" 2
93 1 10 GLU HB2 1 11 LEU H . . 4.600 4.164 3.065 4.567 . 0 0 "[ . 1 . 2]" 2
94 1 10 GLU HB3 1 11 LEU H . . 4.600 3.963 2.933 4.541 . 0 0 "[ . 1 . 2]" 2
95 1 11 LEU H 1 11 LEU HB3 . . 4.030 3.467 2.430 3.847 . 0 0 "[ . 1 . 2]" 2
96 1 11 LEU H 1 11 LEU MD2 . . 5.100 3.899 1.981 4.723 . 0 0 "[ . 1 . 2]" 2
97 1 58 LYS HA 1 59 GLU H . . 3.280 2.325 2.147 3.263 . 0 0 "[ . 1 . 2]" 2
98 1 39 PHE H 1 39 PHE HD2 . . 4.510 4.277 4.221 4.358 . 0 0 "[ . 1 . 2]" 2
99 1 31 VAL HA 1 39 PHE H . . 4.610 3.656 3.343 3.824 . 0 0 "[ . 1 . 2]" 2
100 1 38 ILE HA 1 39 PHE H . . 2.880 2.196 2.175 2.224 . 0 0 "[ . 1 . 2]" 2
101 1 39 PHE H 1 39 PHE HB3 . . 4.160 3.752 3.731 3.776 . 0 0 "[ . 1 . 2]" 2
102 1 39 PHE H 1 39 PHE HB2 . . 3.670 2.757 2.692 2.808 . 0 0 "[ . 1 . 2]" 2
103 1 38 ILE HB 1 39 PHE H . . 4.510 4.454 4.419 4.525 0.015 19 0 "[ . 1 . 2]" 2
104 1 38 ILE MG 1 39 PHE H . . 3.480 3.205 3.062 3.328 . 0 0 "[ . 1 . 2]" 2
105 1 39 PHE H 1 39 PHE HD1 . . 4.400 3.060 2.986 3.151 . 0 0 "[ . 1 . 2]" 2
106 1 30 PHE QD 1 39 PHE H . . 5.500 5.503 5.336 5.557 0.057 10 0 "[ . 1 . 2]" 2
107 1 30 PHE HB3 1 39 PHE H . . 5.020 4.586 4.342 4.794 . 0 0 "[ . 1 . 2]" 2
108 1 30 PHE H 1 30 PHE QD . . 3.890 3.687 3.579 3.862 . 0 0 "[ . 1 . 2]" 2
109 1 27 PHE QE 1 30 PHE H . . 4.080 3.673 3.371 3.931 . 0 0 "[ . 1 . 2]" 2
110 1 27 PHE QD 1 30 PHE H . . 4.670 4.567 4.398 4.670 0.000 8 0 "[ . 1 . 2]" 2
111 1 29 PRO HA 1 30 PHE H . . 2.790 2.154 2.150 2.164 . 0 0 "[ . 1 . 2]" 2
112 1 30 PHE H 1 30 PHE HB3 . . 3.930 3.752 3.681 3.861 . 0 0 "[ . 1 . 2]" 2
113 1 30 PHE H 1 30 PHE HB2 . . 3.530 2.635 2.512 2.782 . 0 0 "[ . 1 . 2]" 2
114 1 29 PRO HB3 1 30 PHE H . . 4.260 4.107 3.999 4.197 . 0 0 "[ . 1 . 2]" 2
115 1 29 PRO HB2 1 30 PHE H . . 4.010 3.687 3.531 3.814 . 0 0 "[ . 1 . 2]" 2
116 1 30 PHE H 1 38 ILE MG . . 3.960 2.063 1.873 2.431 . 0 0 "[ . 1 . 2]" 2
117 1 24 GLN HA 1 25 ARG H . . 3.060 2.279 2.140 2.568 . 0 0 "[ . 1 . 2]" 2
118 1 24 GLN QB 1 25 ARG H . . 3.940 2.811 2.087 3.434 . 0 0 "[ . 1 . 2]" 2
119 1 25 ARG H 1 26 ASP H . . 4.690 3.294 2.052 4.473 . 0 0 "[ . 1 . 2]" 2
120 1 51 CYS HB3 1 53 GLU H . . 4.690 3.448 3.085 3.818 . 0 0 "[ . 1 . 2]" 2
121 1 51 CYS HA 1 53 GLU H . . 4.160 3.818 3.607 3.967 . 0 0 "[ . 1 . 2]" 2
122 1 53 GLU H 1 53 GLU HG3 . . 3.750 3.007 2.778 3.378 . 0 0 "[ . 1 . 2]" 2
123 1 53 GLU H 1 53 GLU HG2 . . 4.010 3.423 3.182 3.633 . 0 0 "[ . 1 . 2]" 2
124 1 56 VAL H 1 57 VAL H . . 4.160 3.979 3.086 4.389 0.229 14 0 "[ . 1 . 2]" 2
125 1 53 GLU HA 1 56 VAL H . . 4.790 3.730 3.182 4.292 . 0 0 "[ . 1 . 2]" 2
126 1 55 ASN HB3 1 56 VAL H . . 4.370 3.382 2.228 4.426 0.056 15 0 "[ . 1 . 2]" 2
127 1 56 VAL H 1 56 VAL HB . . 3.710 3.455 2.529 3.786 0.076 15 0 "[ . 1 . 2]" 2
128 1 55 ASN H 1 56 VAL H . . 3.300 2.758 2.335 3.079 . 0 0 "[ . 1 . 2]" 2
129 1 55 ASN HB2 1 56 VAL H . . 4.370 2.906 2.150 4.149 . 0 0 "[ . 1 . 2]" 2
130 1 56 VAL H 1 56 VAL MG1 . . 4.330 2.655 1.884 3.774 . 0 0 "[ . 1 . 2]" 2
131 1 18 GLN H 1 40 CYS H . . 5.500 5.521 5.491 5.551 0.051 7 0 "[ . 1 . 2]" 2
132 1 40 CYS H 1 43 HIS HB3 . . 4.320 4.187 3.912 4.328 0.008 12 0 "[ . 1 . 2]" 2
133 1 17 CYS HA 1 40 CYS H . . 4.240 3.793 3.599 3.950 . 0 0 "[ . 1 . 2]" 2
134 1 40 CYS H 1 40 CYS HB2 . . 3.750 3.593 3.586 3.603 . 0 0 "[ . 1 . 2]" 2
135 1 39 PHE HB2 1 40 CYS H . . 3.920 3.315 3.056 3.412 . 0 0 "[ . 1 . 2]" 2
136 1 39 PHE H 1 40 CYS H . . 4.980 4.512 4.466 4.530 . 0 0 "[ . 1 . 2]" 2
137 1 40 CYS H 1 41 LEU H . . 5.380 4.594 4.519 4.636 . 0 0 "[ . 1 . 2]" 2
138 1 39 PHE HD1 1 40 CYS H . . 4.710 4.471 4.433 4.506 . 0 0 "[ . 1 . 2]" 2
139 1 39 PHE HA 1 40 CYS H . . 3.050 2.431 2.397 2.557 . 0 0 "[ . 1 . 2]" 2
140 1 39 PHE HB3 1 40 CYS H . . 3.340 2.480 2.268 2.558 . 0 0 "[ . 1 . 2]" 2
141 1 40 CYS H 1 43 HIS HB2 . . 3.750 2.753 2.531 2.924 . 0 0 "[ . 1 . 2]" 2
142 1 17 CYS HB2 1 40 CYS H . . 3.770 3.020 2.734 3.260 . 0 0 "[ . 1 . 2]" 2
143 1 40 CYS H 1 40 CYS HB3 . . 3.400 2.628 2.533 2.718 . 0 0 "[ . 1 . 2]" 2
144 1 25 ARG HB3 1 26 ASP H . . 4.740 3.320 2.641 4.057 . 0 0 "[ . 1 . 2]" 2
145 1 9 ALA HA 1 10 GLU H . . 3.370 2.321 2.143 3.399 0.029 5 0 "[ . 1 . 2]" 2
146 1 10 GLU H 1 10 GLU QG . . 4.600 3.432 1.868 4.268 . 0 0 "[ . 1 . 2]" 2
147 1 9 ALA MB 1 10 GLU H . . 4.320 3.032 2.294 3.657 . 0 0 "[ . 1 . 2]" 2
148 1 12 ASP H 1 13 ILE H . . 4.520 4.054 2.920 4.518 . 0 0 "[ . 1 . 2]" 2
149 1 12 ASP HA 1 13 ILE H . . 2.920 2.333 2.139 2.797 . 0 0 "[ . 1 . 2]" 2
150 1 12 ASP HB2 1 13 ILE H . . 4.650 4.196 3.014 4.592 . 0 0 "[ . 1 . 2]" 2
151 1 12 ASP HB3 1 13 ILE H . . 4.650 3.991 2.418 4.540 . 0 0 "[ . 1 . 2]" 2
152 1 13 ILE H 1 13 ILE HG12 . . 3.950 2.799 1.896 4.015 0.065 15 0 "[ . 1 . 2]" 2
153 1 13 ILE H 1 13 ILE HG13 . . 3.950 2.709 2.089 3.834 . 0 0 "[ . 1 . 2]" 2
154 1 13 ILE H 1 13 ILE MD . . 4.440 3.505 1.858 3.883 . 0 0 "[ . 1 . 2]" 2
155 1 47 ASP HA 1 51 CYS H . . 4.670 3.849 3.555 4.557 . 0 0 "[ . 1 . 2]" 2
156 1 49 HIS H 1 51 CYS H . . 4.340 3.542 3.184 3.803 . 0 0 "[ . 1 . 2]" 2
157 1 49 HIS HD2 1 51 CYS H . . 3.960 3.555 3.295 3.838 . 0 0 "[ . 1 . 2]" 2
158 1 46 LYS HA 1 51 CYS H . . 3.730 3.285 2.975 3.831 0.101 20 0 "[ . 1 . 2]" 2
159 1 51 CYS H 1 51 CYS HB2 . . 2.900 2.299 2.234 2.348 . 0 0 "[ . 1 . 2]" 2
160 1 46 LYS QB 1 51 CYS H . . 3.750 3.451 2.996 3.786 0.036 20 0 "[ . 1 . 2]" 2
161 1 15 GLN H 1 15 GLN QG . . 4.070 3.363 1.961 4.061 . 0 0 "[ . 1 . 2]" 2
162 1 15 GLN H 1 15 GLN HB2 . . 3.740 2.566 2.177 3.753 0.013 19 0 "[ . 1 . 2]" 2
163 1 15 GLN H 1 15 GLN HB3 . . 3.740 3.161 2.566 3.697 . 0 0 "[ . 1 . 2]" 2
164 1 44 ARG H 1 45 SER H . . 3.360 2.558 2.430 2.989 . 0 0 "[ . 1 . 2]" 2
165 1 39 PHE HB2 1 44 ARG H . . 4.160 4.106 3.493 4.197 0.037 19 0 "[ . 1 . 2]" 2
166 1 16 HIS H 1 17 CYS H . . 4.560 4.431 4.354 4.544 . 0 0 "[ . 1 . 2]" 2
167 1 16 HIS H 1 27 PHE HZ . . 5.500 4.674 3.930 5.216 . 0 0 "[ . 1 . 2]" 2
168 1 15 GLN HA 1 16 HIS H . . 2.990 2.364 2.185 2.568 . 0 0 "[ . 1 . 2]" 2
169 1 16 HIS H 1 16 HIS HB3 . . 4.020 3.366 2.761 3.893 . 0 0 "[ . 1 . 2]" 2
170 1 15 GLN HB3 1 16 HIS H . . 4.300 3.076 2.091 4.166 . 0 0 "[ . 1 . 2]" 2
171 1 16 HIS H 1 38 ILE MG . . 5.500 4.300 3.270 4.905 . 0 0 "[ . 1 . 2]" 2
172 1 16 HIS H 1 38 ILE MD . . 5.500 4.704 4.006 5.502 0.002 17 0 "[ . 1 . 2]" 2
173 1 42 GLU H 1 44 ARG H . . 4.280 3.894 3.524 3.992 . 0 0 "[ . 1 . 2]" 2
174 1 43 HIS H 1 44 ARG H . . 3.010 2.478 2.138 2.588 . 0 0 "[ . 1 . 2]" 2
175 1 42 GLU HA 1 44 ARG H . . 4.460 3.869 3.757 4.256 . 0 0 "[ . 1 . 2]" 2
176 1 43 HIS HB2 1 44 ARG H . . 3.960 3.893 3.286 3.977 0.017 16 0 "[ . 1 . 2]" 2
177 1 44 ARG H 1 44 ARG HB2 . . 3.630 3.563 3.517 3.596 . 0 0 "[ . 1 . 2]" 2
178 1 44 ARG H 1 44 ARG HG3 . . 4.150 3.764 3.544 4.109 . 0 0 "[ . 1 . 2]" 2
179 1 18 GLN HG3 1 38 ILE H . . 4.880 3.992 3.161 4.371 . 0 0 "[ . 1 . 2]" 2
180 1 18 GLN HB2 1 38 ILE H . . 5.050 5.058 4.964 5.110 0.060 19 0 "[ . 1 . 2]" 2
181 1 16 HIS H 1 16 HIS HD2 . . 4.470 3.270 1.899 4.345 . 0 0 "[ . 1 . 2]" 2
182 1 16 HIS H 1 16 HIS HB2 . . 4.020 3.475 2.257 4.008 . 0 0 "[ . 1 . 2]" 2
183 1 15 GLN QG 1 16 HIS H . . 4.360 3.260 1.854 4.357 . 0 0 "[ . 1 . 2]" 2
184 1 15 GLN HB2 1 16 HIS H . . 4.300 3.748 2.541 4.213 . 0 0 "[ . 1 . 2]" 2
185 1 37 GLY H 1 38 ILE H . . 4.400 4.375 4.283 4.444 0.044 5 0 "[ . 1 . 2]" 2
186 1 37 GLY HA2 1 38 ILE H . . 2.990 2.139 2.138 2.143 . 0 0 "[ . 1 . 2]" 2
187 1 37 GLY HA3 1 38 ILE H . . 3.290 3.239 3.196 3.273 . 0 0 "[ . 1 . 2]" 2
188 1 38 ILE H 1 38 ILE HB . . 3.110 2.468 2.371 2.509 . 0 0 "[ . 1 . 2]" 2
189 1 38 ILE H 1 38 ILE HG12 . . 4.210 3.722 2.478 4.002 . 0 0 "[ . 1 . 2]" 2
190 1 41 LEU H 1 42 GLU H . . 3.680 2.777 2.550 3.076 . 0 0 "[ . 1 . 2]" 2
191 1 42 GLU H 1 42 GLU HG2 . . 4.250 3.315 2.261 4.248 . 0 0 "[ . 1 . 2]" 2
192 1 42 GLU H 1 42 GLU HB2 . . 3.670 2.300 2.177 2.482 . 0 0 "[ . 1 . 2]" 2
193 1 40 CYS HB2 1 42 GLU H . . 4.410 2.954 2.642 3.203 . 0 0 "[ . 1 . 2]" 2
194 1 32 CYS H 1 39 PHE HD2 . . 5.500 5.223 4.778 5.383 . 0 0 "[ . 1 . 2]" 2
195 1 32 CYS H 1 39 PHE HZ . . 5.500 5.322 5.089 5.503 0.003 16 0 "[ . 1 . 2]" 2
196 1 31 VAL HA 1 32 CYS H . . 2.960 2.148 2.141 2.164 . 0 0 "[ . 1 . 2]" 2
197 1 32 CYS H 1 38 ILE HA . . 4.010 2.869 2.690 3.167 . 0 0 "[ . 1 . 2]" 2
198 1 32 CYS H 1 36 SER HA . . 4.680 4.147 3.996 4.435 . 0 0 "[ . 1 . 2]" 2
199 1 32 CYS H 1 32 CYS HB3 . . 3.220 2.444 2.375 2.545 . 0 0 "[ . 1 . 2]" 2
200 1 32 CYS H 1 32 CYS HB2 . . 3.370 2.617 2.509 2.699 . 0 0 "[ . 1 . 2]" 2
201 1 31 VAL HB 1 32 CYS H . . 4.540 4.315 4.174 4.415 . 0 0 "[ . 1 . 2]" 2
202 1 31 VAL MG1 1 32 CYS H . . 4.390 4.165 4.074 4.248 . 0 0 "[ . 1 . 2]" 2
203 1 31 VAL MG2 1 32 CYS H . . 3.580 2.899 2.684 3.158 . 0 0 "[ . 1 . 2]" 2
204 1 42 GLU H 1 43 HIS H . . 3.060 2.572 2.382 2.728 . 0 0 "[ . 1 . 2]" 2
205 1 43 HIS H 1 43 HIS HB3 . . 3.740 3.663 3.575 3.725 . 0 0 "[ . 1 . 2]" 2
206 1 43 HIS H 1 43 HIS HB2 . . 3.230 2.450 2.318 2.548 . 0 0 "[ . 1 . 2]" 2
207 1 40 CYS HB3 1 43 HIS H . . 4.730 4.441 4.376 4.514 . 0 0 "[ . 1 . 2]" 2
208 1 42 GLU HB2 1 43 HIS H . . 3.770 2.863 2.693 3.146 . 0 0 "[ . 1 . 2]" 2
209 1 42 GLU HB3 1 43 HIS H . . 3.770 3.579 3.286 3.736 . 0 0 "[ . 1 . 2]" 2
210 1 53 GLU HA 1 55 ASN H . . 4.450 3.694 3.314 4.051 . 0 0 "[ . 1 . 2]" 2
211 1 55 ASN H 1 55 ASN HB3 . . 3.970 3.372 2.177 3.620 . 0 0 "[ . 1 . 2]" 2
212 1 54 VAL HB 1 55 ASN H . . 4.360 3.507 2.377 4.220 . 0 0 "[ . 1 . 2]" 2
213 1 54 VAL H 1 55 ASN H . . 3.790 2.318 2.101 2.776 . 0 0 "[ . 1 . 2]" 2
214 1 35 CYS HA 1 55 ASN H . . 4.330 4.039 2.881 4.343 0.013 11 0 "[ . 1 . 2]" 2
215 1 55 ASN H 1 55 ASN HB2 . . 3.970 2.474 2.179 3.487 . 0 0 "[ . 1 . 2]" 2
216 1 32 CYS HA 1 33 ASP H . . 3.240 2.171 2.142 2.221 . 0 0 "[ . 1 . 2]" 2
217 1 33 ASP H 1 33 ASP QB . . 3.740 2.361 2.210 2.675 . 0 0 "[ . 1 . 2]" 2
218 1 41 LEU H 1 44 ARG H . . 5.050 4.869 4.502 5.019 . 0 0 "[ . 1 . 2]" 2
219 1 40 CYS HA 1 41 LEU H . . 3.310 2.450 2.258 2.639 . 0 0 "[ . 1 . 2]" 2
220 1 40 CYS HB2 1 41 LEU H . . 3.230 2.367 2.016 2.817 . 0 0 "[ . 1 . 2]" 2
221 1 41 LEU H 1 41 LEU MD2 . . 4.560 4.089 3.775 4.237 . 0 0 "[ . 1 . 2]" 2
222 1 23 ARG H 1 23 ARG HG2 . . 4.780 3.421 2.009 4.430 . 0 0 "[ . 1 . 2]" 2
223 1 19 VAL HA 1 20 GLN H . . 2.900 2.238 2.153 2.308 . 0 0 "[ . 1 . 2]" 2
224 1 20 GLN H 1 20 GLN QG . . 4.460 3.071 1.889 4.117 . 0 0 "[ . 1 . 2]" 2
225 1 20 GLN H 1 20 GLN HB2 . . 3.710 2.566 2.242 3.644 . 0 0 "[ . 1 . 2]" 2
226 1 20 GLN H 1 20 GLN HB3 . . 3.710 3.284 2.418 3.684 . 0 0 "[ . 1 . 2]" 2
227 1 19 VAL MG2 1 20 GLN H . . 4.460 3.980 3.856 4.128 . 0 0 "[ . 1 . 2]" 2
228 1 19 VAL MG1 1 20 GLN H . . 3.700 2.139 1.964 2.436 . 0 0 "[ . 1 . 2]" 2
229 1 32 CYS HB2 1 36 SER H . . 5.290 5.215 4.968 5.316 0.026 15 0 "[ . 1 . 2]" 2
230 1 34 GLY H 1 36 SER H . . 4.220 2.515 2.405 2.639 . 0 0 "[ . 1 . 2]" 2
231 1 35 CYS H 1 36 SER H . . 2.920 2.366 2.155 2.562 . 0 0 "[ . 1 . 2]" 2
232 1 36 SER H 1 55 ASN HD21 . . 4.440 3.522 2.841 4.330 . 0 0 "[ . 1 . 2]" 2
233 1 33 ASP HA 1 36 SER H . . 4.630 4.246 4.050 4.372 . 0 0 "[ . 1 . 2]" 2
234 1 36 SER H 1 36 SER HA . . 2.840 2.280 2.275 2.300 . 0 0 "[ . 1 . 2]" 2
235 1 32 CYS HB3 1 36 SER H . . 3.910 3.530 3.318 3.630 . 0 0 "[ . 1 . 2]" 2
236 1 35 CYS QB 1 36 SER H . . 4.140 3.968 3.926 4.000 . 0 0 "[ . 1 . 2]" 2
237 1 35 CYS H 1 37 GLY H . . 4.090 3.318 3.145 3.569 . 0 0 "[ . 1 . 2]" 2
238 1 35 CYS H 1 36 SER HA . . 4.550 4.403 4.171 4.568 0.018 1 0 "[ . 1 . 2]" 2
239 1 35 CYS H 1 35 CYS QB . . 3.660 2.954 2.840 3.088 . 0 0 "[ . 1 . 2]" 2
240 1 34 GLY H 1 35 CYS H . . 3.180 2.291 1.945 2.555 . 0 0 "[ . 1 . 2]" 2
241 1 32 CYS HB2 1 35 CYS H . . 4.420 4.428 4.284 4.510 0.090 1 0 "[ . 1 . 2]" 2
242 1 53 GLU H 1 54 VAL H . . 3.510 2.837 2.700 2.968 . 0 0 "[ . 1 . 2]" 2
243 1 53 GLU HA 1 54 VAL H . . 3.360 2.695 2.621 2.749 . 0 0 "[ . 1 . 2]" 2
244 1 54 VAL H 1 54 VAL HB . . 3.180 2.824 2.497 3.489 0.309 18 0 "[ . 1 . 2]" 2
245 1 53 GLU HG2 1 54 VAL H . . 5.110 5.025 4.851 5.113 0.003 4 0 "[ . 1 . 2]" 2
246 1 32 CYS HB3 1 35 CYS H . . 3.740 3.130 2.960 3.310 . 0 0 "[ . 1 . 2]" 2
247 1 26 ASP HA 1 27 PHE H . . 3.040 2.575 2.258 2.782 . 0 0 "[ . 1 . 2]" 2
248 1 27 PHE H 1 27 PHE HB2 . . 4.160 3.750 3.640 3.878 . 0 0 "[ . 1 . 2]" 2
249 1 27 PHE H 1 27 PHE HB3 . . 4.160 2.913 2.648 3.190 . 0 0 "[ . 1 . 2]" 2
250 1 27 PHE H 1 40 CYS HB3 . . 5.500 5.420 5.157 5.557 0.057 9 0 "[ . 1 . 2]" 2
251 1 26 ASP H 1 27 PHE H . . 4.460 3.239 2.563 3.947 . 0 0 "[ . 1 . 2]" 2
252 1 26 ASP HB2 1 27 PHE H . . 4.830 4.487 4.126 4.643 . 0 0 "[ . 1 . 2]" 2
253 1 26 ASP HB3 1 27 PHE H . . 4.830 4.374 4.130 4.661 . 0 0 "[ . 1 . 2]" 2
254 1 47 ASP H 1 48 SER H . . 3.230 2.570 1.872 3.024 . 0 0 "[ . 1 . 2]" 2
255 1 48 SER H 1 48 SER HB3 . . 3.800 3.098 2.253 3.606 . 0 0 "[ . 1 . 2]" 2
256 1 46 LYS HA 1 48 SER H . . 4.680 4.317 3.149 4.552 . 0 0 "[ . 1 . 2]" 2
257 1 45 SER H 1 45 SER HB2 . . 3.580 2.579 2.210 3.598 0.018 16 0 "[ . 1 . 2]" 2
258 1 45 SER H 1 45 SER HB3 . . 3.580 2.916 2.281 3.566 . 0 0 "[ . 1 . 2]" 2
259 1 44 ARG HG3 1 45 SER H . . 3.910 2.785 2.434 3.154 . 0 0 "[ . 1 . 2]" 2
260 1 34 GLY H 1 46 LYS HE3 . . 4.550 3.926 3.257 4.622 0.072 20 0 "[ . 1 . 2]" 2
261 1 33 ASP H 1 34 GLY H . . 3.550 3.188 3.076 3.335 . 0 0 "[ . 1 . 2]" 2
262 1 33 ASP QB 1 34 GLY H . . 4.070 3.883 3.833 3.938 . 0 0 "[ . 1 . 2]" 2
263 1 47 ASP H 1 47 ASP HB3 . . 4.180 3.263 2.409 3.853 . 0 0 "[ . 1 . 2]" 2
264 1 46 LYS QB 1 47 ASP H . . 4.000 2.794 1.967 3.859 . 0 0 "[ . 1 . 2]" 2
265 1 32 CYS HB3 1 34 GLY H . . 4.560 3.378 3.251 3.463 . 0 0 "[ . 1 . 2]" 2
266 1 23 ARG H 1 24 GLN H . . 3.650 2.711 1.811 3.502 . 0 0 "[ . 1 . 2]" 2
267 1 30 PHE H 1 39 PHE H . . 3.850 3.350 3.048 3.520 . 0 0 "[ . 1 . 2]" 2
268 1 27 PHE H 1 27 PHE QD . . 3.370 2.780 2.361 3.261 . 0 0 "[ . 1 . 2]" 2
269 1 52 SER H 1 53 GLU H . . 3.430 2.532 2.361 2.682 . 0 0 "[ . 1 . 2]" 2
270 1 10 GLU HA 1 11 LEU H . . 3.040 2.262 2.143 2.903 . 0 0 "[ . 1 . 2]" 2
271 1 17 CYS H 1 17 CYS HB3 . . 3.040 2.691 2.632 2.781 . 0 0 "[ . 1 . 2]" 2
272 1 17 CYS HB2 1 19 VAL H . . 5.070 4.762 4.641 4.848 . 0 0 "[ . 1 . 2]" 2
273 1 19 VAL H 1 39 PHE HE1 . . 4.730 4.312 4.219 4.410 . 0 0 "[ . 1 . 2]" 2
274 1 17 CYS H 1 19 VAL H . . 5.500 5.433 5.281 5.521 0.021 4 0 "[ . 1 . 2]" 2
275 1 19 VAL H 1 40 CYS H . . 5.500 5.487 5.379 5.538 0.038 12 0 "[ . 1 . 2]" 2
276 1 20 GLN H 1 22 CYS H . . 4.850 3.527 3.362 3.780 . 0 0 "[ . 1 . 2]" 2
277 1 22 CYS H 1 23 ARG H . . 4.890 4.084 2.478 4.641 . 0 0 "[ . 1 . 2]" 2
278 1 25 ARG H 1 27 PHE QD . . 4.800 3.667 2.888 4.475 . 0 0 "[ . 1 . 2]" 2
279 1 24 GLN HG3 1 25 ARG H . . 5.500 4.936 3.876 5.472 . 0 0 "[ . 1 . 2]" 2
280 1 25 ARG H 1 25 ARG QG . . 3.920 2.983 1.972 3.887 . 0 0 "[ . 1 . 2]" 2
281 1 25 ARG HB2 1 26 ASP H . . 4.740 3.041 2.177 4.239 . 0 0 "[ . 1 . 2]" 2
282 1 28 LEU H 1 28 LEU QB . . 2.970 2.355 2.201 2.521 . 0 0 "[ . 1 . 2]" 2
283 1 31 VAL H 1 32 CYS H . . 4.740 4.419 4.348 4.508 . 0 0 "[ . 1 . 2]" 2
284 1 32 CYS H 1 39 PHE HE2 . . 5.500 5.340 5.035 5.529 0.029 12 0 "[ . 1 . 2]" 2
285 1 32 CYS H 1 35 CYS H . . 5.500 5.381 5.167 5.543 0.043 5 0 "[ . 1 . 2]" 2
286 1 32 CYS H 1 39 PHE HD1 . . 5.240 5.059 4.758 5.227 . 0 0 "[ . 1 . 2]" 2
287 1 32 CYS H 1 36 SER H . . 5.130 4.946 4.697 5.111 . 0 0 "[ . 1 . 2]" 2
288 1 32 CYS H 1 39 PHE H . . 4.980 3.279 3.066 3.465 . 0 0 "[ . 1 . 2]" 2
289 1 34 GLY H 1 46 LYS HG2 . . 5.230 4.719 4.454 5.231 0.001 14 0 "[ . 1 . 2]" 2
290 1 31 VAL MG2 1 37 GLY H . . 4.980 3.631 3.016 3.888 . 0 0 "[ . 1 . 2]" 2
291 1 38 ILE H 1 39 PHE H . . 4.800 4.246 4.203 4.299 . 0 0 "[ . 1 . 2]" 2
292 1 27 PHE QE 1 39 PHE H . . 5.500 5.235 4.537 5.504 0.004 20 0 "[ . 1 . 2]" 2
293 1 39 PHE HD2 1 40 CYS H . . 5.500 5.352 5.087 5.445 . 0 0 "[ . 1 . 2]" 2
294 1 27 PHE QE 1 40 CYS H . . 4.730 4.022 3.559 4.373 . 0 0 "[ . 1 . 2]" 2
295 1 41 LEU H 1 41 LEU HB2 . . 3.490 2.602 2.382 2.788 . 0 0 "[ . 1 . 2]" 2
296 1 41 LEU MD2 1 42 GLU H . . 4.840 3.238 2.758 3.514 . 0 0 "[ . 1 . 2]" 2
297 1 42 GLU H 1 42 GLU HG3 . . 4.250 3.436 2.249 4.054 . 0 0 "[ . 1 . 2]" 2
298 1 42 GLU H 1 43 HIS HB2 . . 4.910 4.811 4.458 4.931 0.021 20 0 "[ . 1 . 2]" 2
299 1 40 CYS H 1 43 HIS H . . 4.530 3.789 3.578 4.047 . 0 0 "[ . 1 . 2]" 2
300 1 41 LEU HA 1 43 HIS H . . 4.840 4.280 3.987 4.437 . 0 0 "[ . 1 . 2]" 2
301 1 43 HIS H 1 44 ARG HA . . 4.840 4.556 4.423 4.649 . 0 0 "[ . 1 . 2]" 2
302 1 19 VAL MG2 1 43 HIS H . . 5.500 5.435 5.257 5.528 0.028 19 0 "[ . 1 . 2]" 2
303 1 41 LEU MD2 1 43 HIS H . . 5.500 5.120 4.568 5.544 0.044 2 0 "[ . 1 . 2]" 2
304 1 44 ARG H 1 44 ARG HB3 . . 3.630 2.327 2.223 2.405 . 0 0 "[ . 1 . 2]" 2
305 1 43 HIS HB3 1 44 ARG H . . 4.820 4.353 3.894 4.405 . 0 0 "[ . 1 . 2]" 2
306 1 44 ARG HG2 1 45 SER H . . 3.910 2.267 1.971 2.573 . 0 0 "[ . 1 . 2]" 2
307 1 43 HIS H 1 45 SER H . . 4.880 4.755 4.477 4.888 0.008 20 0 "[ . 1 . 2]" 2
308 1 43 HIS HA 1 45 SER H . . 4.660 3.672 3.515 3.854 . 0 0 "[ . 1 . 2]" 2
309 1 46 LYS H 1 46 LYS QB . . 3.520 2.330 2.137 2.537 . 0 0 "[ . 1 . 2]" 2
310 1 48 SER HB2 1 49 HIS H . . 4.380 3.147 2.307 4.131 . 0 0 "[ . 1 . 2]" 2
311 1 51 CYS H 1 53 GLU HG3 . . 5.240 5.051 4.829 5.248 0.008 19 0 "[ . 1 . 2]" 2
312 1 51 CYS HA 1 52 SER H . . 2.880 2.193 2.147 2.256 . 0 0 "[ . 1 . 2]" 2
313 1 45 SER HA 1 46 LYS H . . 3.290 2.370 2.173 2.585 . 0 0 "[ . 1 . 2]" 2
314 1 22 CYS HB2 1 23 ARG H . . 5.500 3.986 3.520 4.386 . 0 0 "[ . 1 . 2]" 2
315 1 22 CYS HB3 1 23 ARG H . . 5.130 3.526 1.970 4.339 . 0 0 "[ . 1 . 2]" 2
316 1 23 ARG H 1 23 ARG HG3 . . 4.780 3.355 1.884 4.744 . 0 0 "[ . 1 . 2]" 2
317 1 24 GLN HG2 1 25 ARG H . . 5.500 4.551 3.363 4.964 . 0 0 "[ . 1 . 2]" 2
318 1 32 CYS HB2 1 49 HIS HE1 . . 3.970 3.539 3.252 3.881 . 0 0 "[ . 1 . 2]" 2
319 1 46 LYS HA 1 49 HIS HE1 . . 3.770 2.220 1.987 2.884 . 0 0 "[ . 1 . 2]" 2
320 1 46 LYS QB 1 49 HIS HE1 . . 4.710 4.037 3.719 4.468 . 0 0 "[ . 1 . 2]" 2
321 1 46 LYS HG2 1 49 HIS HE1 . . 4.870 3.248 2.747 4.394 . 0 0 "[ . 1 . 2]" 2
322 1 21 HIS HE1 1 22 CYS HB2 . . 3.540 3.405 3.011 3.555 0.015 5 0 "[ . 1 . 2]" 2
323 1 19 VAL HB 1 21 HIS HE1 . . 4.900 4.567 4.204 4.896 . 0 0 "[ . 1 . 2]" 2
324 1 19 VAL MG1 1 21 HIS HE1 . . 4.140 2.354 1.948 2.870 . 0 0 "[ . 1 . 2]" 2
325 1 69 TYR HA 1 69 TYR QD . . 4.330 2.806 2.122 3.729 . 0 0 "[ . 1 . 2]" 2
326 1 27 PHE QD 1 41 LEU H . . 4.780 3.676 3.283 4.144 . 0 0 "[ . 1 . 2]" 2
327 1 27 PHE QD 1 40 CYS HA . . 3.640 2.338 1.948 3.022 . 0 0 "[ . 1 . 2]" 2
328 1 17 CYS HB2 1 27 PHE QD . . 5.290 4.094 3.833 4.305 . 0 0 "[ . 1 . 2]" 2
329 1 24 GLN QB 1 27 PHE QD . . 3.970 2.236 1.936 2.870 . 0 0 "[ . 1 . 2]" 2
330 1 27 PHE QD 1 40 CYS HB3 . . 4.100 2.940 2.624 3.143 . 0 0 "[ . 1 . 2]" 2
331 1 30 PHE HA 1 30 PHE QD . . 4.270 2.404 2.136 2.712 . 0 0 "[ . 1 . 2]" 2
332 1 39 PHE HD2 1 45 SER H . . 5.500 5.380 5.182 5.508 0.008 20 0 "[ . 1 . 2]" 2
333 1 37 GLY HA3 1 39 PHE HD1 . . 4.870 3.924 3.806 3.985 . 0 0 "[ . 1 . 2]" 2
334 1 32 CYS HB3 1 39 PHE HD2 . . 5.210 4.549 4.350 4.702 . 0 0 "[ . 1 . 2]" 2
335 1 27 PHE H 1 27 PHE QE . . 4.600 4.227 3.999 4.437 . 0 0 "[ . 1 . 2]" 2
336 1 27 PHE QE 1 29 PRO HA . . 3.570 2.428 2.022 2.682 . 0 0 "[ . 1 . 2]" 2
337 1 17 CYS HA 1 27 PHE QE . . 4.400 4.019 3.730 4.251 . 0 0 "[ . 1 . 2]" 2
338 1 17 CYS HB3 1 27 PHE QE . . 4.360 3.643 2.984 4.227 . 0 0 "[ . 1 . 2]" 2
339 1 24 GLN QB 1 27 PHE QE . . 4.650 3.489 2.924 4.043 . 0 0 "[ . 1 . 2]" 2
340 1 27 PHE QE 1 29 PRO HB3 . . 4.260 3.777 3.317 4.185 . 0 0 "[ . 1 . 2]" 2
341 1 27 PHE QE 1 40 CYS HB3 . . 4.490 3.558 2.794 3.878 . 0 0 "[ . 1 . 2]" 2
342 1 28 LEU MD1 1 30 PHE HZ . . 4.400 3.100 2.157 4.270 . 0 0 "[ . 1 . 2]" 2
343 1 30 PHE HZ 1 41 LEU MD1 . . 4.550 3.521 2.997 3.983 . 0 0 "[ . 1 . 2]" 2
344 1 32 CYS HB2 1 39 PHE HE1 . . 4.940 4.961 4.932 4.990 0.050 5 0 "[ . 1 . 2]" 2
345 1 17 CYS HB3 1 27 PHE HZ . . 5.500 3.965 3.498 4.460 . 0 0 "[ . 1 . 2]" 2
346 1 27 PHE HZ 1 40 CYS HB3 . . 4.680 4.377 3.488 4.758 0.078 9 0 "[ . 1 . 2]" 2
347 1 49 HIS HD2 1 51 CYS HB2 . . 4.290 3.784 3.454 4.102 . 0 0 "[ . 1 . 2]" 2
348 1 39 PHE HA 1 39 PHE HD2 . . 4.880 4.739 4.715 4.752 . 0 0 "[ . 1 . 2]" 2
349 1 39 PHE HA 1 39 PHE HD1 . . 4.170 2.207 2.158 2.245 . 0 0 "[ . 1 . 2]" 2
350 1 17 CYS HA 1 39 PHE HA . . 3.600 2.205 1.994 2.476 . 0 0 "[ . 1 . 2]" 2
351 1 17 CYS HB2 1 39 PHE HA . . 4.450 3.354 3.110 3.537 . 0 0 "[ . 1 . 2]" 2
352 1 39 PHE HA 1 40 CYS HB3 . . 4.810 4.659 4.593 4.722 . 0 0 "[ . 1 . 2]" 2
353 1 43 HIS HA 1 43 HIS HD2 . . 3.460 2.348 2.257 2.450 . 0 0 "[ . 1 . 2]" 2
354 1 43 HIS HD2 1 48 SER HB2 . . 4.060 3.341 2.003 4.085 0.025 19 0 "[ . 1 . 2]" 2
355 1 19 VAL MG2 1 43 HIS HD2 . . 4.700 4.614 4.218 4.719 0.019 7 0 "[ . 1 . 2]" 2
356 1 33 ASP QB 1 34 GLY HA2 . . 5.020 4.462 4.331 4.753 . 0 0 "[ . 1 . 2]" 2
357 1 33 ASP QB 1 34 GLY HA3 . . 5.020 4.740 4.660 4.886 . 0 0 "[ . 1 . 2]" 2
358 1 13 ILE HA 1 13 ILE MD . . 4.430 3.703 1.948 4.178 . 0 0 "[ . 1 . 2]" 2
359 1 13 ILE HB 1 13 ILE MD . . 3.670 2.427 2.120 3.228 . 0 0 "[ . 1 . 2]" 2
360 1 38 ILE HA 1 38 ILE MD . . 4.190 3.594 2.183 3.877 . 0 0 "[ . 1 . 2]" 2
361 1 15 GLN HB2 1 38 ILE MD . . 4.220 3.201 1.986 4.201 . 0 0 "[ . 1 . 2]" 2
362 1 38 ILE HB 1 38 ILE MD . . 3.480 2.268 2.101 3.201 . 0 0 "[ . 1 . 2]" 2
363 1 38 ILE H 1 38 ILE MD . . 4.330 2.897 1.864 3.838 . 0 0 "[ . 1 . 2]" 2
364 1 15 GLN HB3 1 38 ILE MD . . 4.220 3.097 2.115 4.238 0.018 3 0 "[ . 1 . 2]" 2
365 1 39 PHE HB3 1 44 ARG HA . . 4.220 4.134 3.896 4.237 0.017 2 0 "[ . 1 . 2]" 2
366 1 39 PHE HB3 1 43 HIS HB3 . . 4.260 2.728 2.454 2.931 . 0 0 "[ . 1 . 2]" 2
367 1 32 CYS HB2 1 39 PHE HB3 . . 5.380 5.276 5.074 5.390 0.010 11 0 "[ . 1 . 2]" 2
368 1 39 PHE HB2 1 43 HIS HB3 . . 4.790 3.521 3.144 3.877 . 0 0 "[ . 1 . 2]" 2
369 1 37 GLY HA3 1 39 PHE HE1 . . 4.590 2.082 2.036 2.150 . 0 0 "[ . 1 . 2]" 2
370 1 37 GLY HA3 1 39 PHE HZ . . 4.450 2.358 2.244 2.447 . 0 0 "[ . 1 . 2]" 2
371 1 37 GLY HA3 1 39 PHE HE2 . . 4.750 4.226 4.110 4.308 . 0 0 "[ . 1 . 2]" 2
372 1 44 ARG H 1 44 ARG HD3 . . 5.500 4.223 3.646 4.846 . 0 0 "[ . 1 . 2]" 2
373 1 41 LEU HA 1 44 ARG HD3 . . 4.170 2.947 2.031 4.147 . 0 0 "[ . 1 . 2]" 2
374 1 30 PHE HB3 1 44 ARG HD3 . . 5.500 5.162 4.579 5.527 0.027 1 0 "[ . 1 . 2]" 2
375 1 41 LEU MD1 1 44 ARG HD3 . . 4.190 3.211 1.961 4.203 0.013 10 0 "[ . 1 . 2]" 2
376 1 44 ARG H 1 44 ARG HD2 . . 5.500 4.566 3.907 4.985 . 0 0 "[ . 1 . 2]" 2
377 1 41 LEU HA 1 44 ARG HD2 . . 4.170 3.097 2.051 4.057 . 0 0 "[ . 1 . 2]" 2
378 1 41 LEU MD1 1 44 ARG HD2 . . 4.190 3.585 2.425 4.202 0.012 4 0 "[ . 1 . 2]" 2
379 1 23 ARG HB2 1 23 ARG QD . . 3.910 2.703 2.064 3.294 . 0 0 "[ . 1 . 2]" 2
380 1 23 ARG HB3 1 23 ARG QD . . 3.910 2.513 2.135 3.495 . 0 0 "[ . 1 . 2]" 2
381 1 23 ARG HA 1 23 ARG QD . . 4.820 3.600 1.984 4.478 . 0 0 "[ . 1 . 2]" 2
382 1 60 ARG HA 1 60 ARG QD . . 5.100 3.682 2.255 4.477 . 0 0 "[ . 1 . 2]" 2
383 1 11 LEU H 1 11 LEU HB2 . . 4.030 2.786 2.135 4.025 . 0 0 "[ . 1 . 2]" 2
384 1 34 GLY H 1 46 LYS HE2 . . 4.550 4.022 3.108 4.576 0.026 2 0 "[ . 1 . 2]" 2
385 1 34 GLY HA2 1 46 LYS HE2 . . 4.450 3.029 2.529 3.723 . 0 0 "[ . 1 . 2]" 2
386 1 34 GLY HA3 1 46 LYS HE2 . . 4.450 2.733 1.964 3.712 . 0 0 "[ . 1 . 2]" 2
387 1 34 GLY HA3 1 46 LYS HE3 . . 4.450 3.366 2.376 3.961 . 0 0 "[ . 1 . 2]" 2
388 1 34 GLY HA2 1 46 LYS HE3 . . 4.450 3.928 2.952 4.462 0.012 7 0 "[ . 1 . 2]" 2
389 1 41 LEU HB2 1 42 GLU H . . 4.210 3.966 3.891 4.085 . 0 0 "[ . 1 . 2]" 2
390 1 30 PHE QE 1 41 LEU HB2 . . 4.400 2.217 1.997 2.667 . 0 0 "[ . 1 . 2]" 2
391 1 41 LEU H 1 41 LEU HB3 . . 3.490 2.439 2.259 2.671 . 0 0 "[ . 1 . 2]" 2
392 1 41 LEU HB3 1 42 GLU H . . 4.210 2.682 2.493 3.050 . 0 0 "[ . 1 . 2]" 2
393 1 30 PHE QE 1 41 LEU HB3 . . 4.400 3.907 3.649 4.400 . 9 0 "[ . 1 . 2]" 2
394 1 28 LEU QB 1 30 PHE QE . . 4.280 2.206 1.967 2.515 . 0 0 "[ . 1 . 2]" 2
395 1 28 LEU QB 1 28 LEU MD2 . . 3.160 2.181 1.907 2.367 . 0 0 "[ . 1 . 2]" 2
396 1 30 PHE HB3 1 44 ARG HB2 . . 4.970 2.675 2.215 3.161 . 0 0 "[ . 1 . 2]" 2
397 1 30 PHE HB2 1 39 PHE HB2 . . 4.970 4.514 4.358 4.707 . 0 0 "[ . 1 . 2]" 2
398 1 30 PHE HB2 1 44 ARG HB2 . . 4.870 2.971 2.548 3.346 . 0 0 "[ . 1 . 2]" 2
399 1 29 PRO HA 1 30 PHE HB2 . . 4.720 4.458 4.335 4.609 . 0 0 "[ . 1 . 2]" 2
400 1 47 ASP H 1 47 ASP HB2 . . 4.180 2.829 2.293 3.838 . 0 0 "[ . 1 . 2]" 2
401 1 13 ILE H 1 13 ILE HB . . 3.720 3.108 2.472 3.733 0.013 19 0 "[ . 1 . 2]" 2
402 1 55 ASN HB2 1 56 VAL HA . . 5.500 4.782 4.196 5.502 0.002 8 0 "[ . 1 . 2]" 2
403 1 55 ASN HB3 1 56 VAL HA . . 5.500 4.488 3.950 5.506 0.006 20 0 "[ . 1 . 2]" 2
404 1 46 LYS QB 1 53 GLU HG3 . . 5.050 3.720 3.118 4.333 . 0 0 "[ . 1 . 2]" 2
405 1 53 GLU HA 1 53 GLU HG3 . . 3.910 3.126 2.974 3.273 . 0 0 "[ . 1 . 2]" 2
406 1 51 CYS HB3 1 53 GLU HG3 . . 4.410 2.652 2.375 3.248 . 0 0 "[ . 1 . 2]" 2
407 1 51 CYS HB3 1 53 GLU HG2 . . 4.590 3.283 2.957 3.593 . 0 0 "[ . 1 . 2]" 2
408 1 46 LYS QB 1 53 GLU HG2 . . 5.090 3.810 3.100 4.346 . 0 0 "[ . 1 . 2]" 2
409 1 46 LYS HG2 1 53 GLU HG2 . . 5.500 4.069 2.684 4.748 . 0 0 "[ . 1 . 2]" 2
410 1 18 GLN HG2 1 38 ILE H . . 4.880 3.747 3.273 4.593 . 0 0 "[ . 1 . 2]" 2
411 1 24 GLN HG3 1 40 CYS HB2 . . 5.500 3.801 3.224 5.144 . 0 0 "[ . 1 . 2]" 2
412 1 24 GLN HG2 1 40 CYS HB2 . . 5.500 5.191 3.505 5.507 0.007 15 0 "[ . 1 . 2]" 2
413 1 35 CYS QB 1 51 CYS HA . . 4.690 4.568 4.240 4.713 0.023 1 0 "[ . 1 . 2]" 2
414 1 35 CYS QB 1 53 GLU HA . . 5.380 4.937 4.421 5.355 . 0 0 "[ . 1 . 2]" 2
415 1 35 CYS QB 1 53 GLU H . . 4.060 3.920 3.659 4.072 0.012 15 0 "[ . 1 . 2]" 2
416 1 15 GLN QG 1 38 ILE MD . . 4.600 2.301 1.777 4.255 . 0 0 "[ . 1 . 2]" 2
417 1 30 PHE HA 1 31 VAL HB . . 4.790 4.774 4.679 4.866 0.076 10 0 "[ . 1 . 2]" 2
418 1 27 PHE QE 1 29 PRO HB2 . . 5.090 4.874 4.461 5.123 0.033 4 0 "[ . 1 . 2]" 2
419 1 29 PRO HB2 1 38 ILE MG . . 3.520 2.378 1.930 2.932 . 0 0 "[ . 1 . 2]" 2
420 1 39 PHE HD2 1 43 HIS HB3 . . 4.860 3.430 2.933 3.689 . 0 0 "[ . 1 . 2]" 2
421 1 19 VAL MG2 1 43 HIS HB2 . . 4.230 3.330 3.098 3.527 . 0 0 "[ . 1 . 2]" 2
422 1 46 LYS QB 1 51 CYS HB3 . . 3.660 2.164 1.987 2.622 . 0 0 "[ . 1 . 2]" 2
423 1 18 GLN HB3 1 19 VAL HA . . 5.170 4.280 4.182 4.400 . 0 0 "[ . 1 . 2]" 2
424 1 19 VAL HA 1 19 VAL MG2 . . 3.270 2.454 2.374 2.494 . 0 0 "[ . 1 . 2]" 2
425 1 19 VAL HA 1 19 VAL MG1 . . 3.450 2.319 2.216 2.417 . 0 0 "[ . 1 . 2]" 2
426 1 32 CYS HB3 1 39 PHE HD1 . . 5.500 5.513 5.472 5.564 0.064 20 0 "[ . 1 . 2]" 2
427 1 32 CYS HB3 1 39 PHE HE1 . . 4.900 4.804 4.671 4.873 . 0 0 "[ . 1 . 2]" 2
428 1 32 CYS HB3 1 39 PHE HZ . . 4.610 3.814 3.549 3.991 . 0 0 "[ . 1 . 2]" 2
429 1 32 CYS HB3 1 37 GLY HA3 . . 4.760 3.343 3.262 3.437 . 0 0 "[ . 1 . 2]" 2
430 1 32 CYS HB3 1 49 HIS HE1 . . 4.620 4.434 4.245 4.625 0.005 17 0 "[ . 1 . 2]" 2
431 1 32 CYS HB3 1 39 PHE HE2 . . 4.100 3.653 3.395 3.894 . 0 0 "[ . 1 . 2]" 2
432 1 31 VAL HA 1 32 CYS HB3 . . 4.750 4.494 4.446 4.578 . 0 0 "[ . 1 . 2]" 2
433 1 32 CYS HB2 1 39 PHE HD1 . . 5.000 4.949 4.792 5.041 0.041 1 0 "[ . 1 . 2]" 2
434 1 32 CYS HB2 1 39 PHE HD2 . . 4.000 3.110 2.841 3.263 . 0 0 "[ . 1 . 2]" 2
435 1 32 CYS HB2 1 39 PHE HE2 . . 4.090 3.121 2.826 3.320 . 0 0 "[ . 1 . 2]" 2
436 1 17 CYS HB3 1 40 CYS HB3 . . 5.050 4.646 4.478 4.824 . 0 0 "[ . 1 . 2]" 2
437 1 17 CYS HB2 1 18 GLN H . . 4.730 4.528 4.486 4.610 . 0 0 "[ . 1 . 2]" 2
438 1 17 CYS HB2 1 27 PHE QE . . 4.210 2.788 1.987 3.378 . 0 0 "[ . 1 . 2]" 2
439 1 17 CYS HB2 1 27 PHE HZ . . 4.500 2.671 1.988 3.168 . 0 0 "[ . 1 . 2]" 2
440 1 17 CYS HB2 1 24 GLN QB . . 4.520 3.927 3.221 4.383 . 0 0 "[ . 1 . 2]" 2
441 1 17 CYS HB2 1 40 CYS HB3 . . 4.000 3.262 3.073 3.415 . 0 0 "[ . 1 . 2]" 2
442 1 48 SER H 1 48 SER HB2 . . 3.800 2.726 2.248 3.596 . 0 0 "[ . 1 . 2]" 2
443 1 43 HIS HA 1 48 SER HB2 . . 3.650 3.055 2.160 3.669 0.019 19 0 "[ . 1 . 2]" 2
444 1 49 HIS HD2 1 51 CYS HA . . 3.040 2.385 2.142 2.705 . 0 0 "[ . 1 . 2]" 2
445 1 46 LYS QB 1 51 CYS HA . . 5.130 4.649 4.352 5.136 0.006 20 0 "[ . 1 . 2]" 2
446 1 46 LYS HG2 1 51 CYS HA . . 5.500 4.921 4.367 5.370 . 0 0 "[ . 1 . 2]" 2
447 1 43 HIS HD2 1 48 SER HB3 . . 4.060 2.834 1.996 4.072 0.012 15 0 "[ . 1 . 2]" 2
448 1 48 SER HB3 1 49 HIS H . . 4.380 3.292 2.502 3.871 . 0 0 "[ . 1 . 2]" 2
449 1 43 HIS HA 1 48 SER HB3 . . 3.650 2.890 2.212 3.447 . 0 0 "[ . 1 . 2]" 2
450 1 49 HIS HD2 1 51 CYS HB3 . . 5.270 4.997 4.704 5.262 . 0 0 "[ . 1 . 2]" 2
451 1 51 CYS H 1 51 CYS HB3 . . 3.680 2.883 2.766 2.990 . 0 0 "[ . 1 . 2]" 2
452 1 46 LYS HA 1 51 CYS HB3 . . 3.750 3.462 3.056 3.793 0.043 20 0 "[ . 1 . 2]" 2
453 1 46 LYS H 1 51 CYS HB2 . . 5.500 4.858 4.418 5.176 . 0 0 "[ . 1 . 2]" 2
454 1 51 CYS HB2 1 53 GLU HG2 . . 5.230 4.807 4.559 5.065 . 0 0 "[ . 1 . 2]" 2
455 1 46 LYS QB 1 51 CYS HB2 . . 3.920 2.542 2.215 2.984 . 0 0 "[ . 1 . 2]" 2
456 1 46 LYS HG2 1 51 CYS HB2 . . 4.240 2.675 2.043 3.427 . 0 0 "[ . 1 . 2]" 2
457 1 51 CYS HB2 1 53 GLU HG3 . . 5.020 4.384 4.117 4.988 . 0 0 "[ . 1 . 2]" 2
458 1 19 VAL H 1 19 VAL HB . . 3.410 2.683 2.630 2.760 . 0 0 "[ . 1 . 2]" 2
459 1 19 VAL HB 1 22 CYS HB2 . . 3.670 2.449 2.277 2.611 . 0 0 "[ . 1 . 2]" 2
460 1 27 PHE QD 1 40 CYS HB2 . . 4.480 3.406 2.966 3.737 . 0 0 "[ . 1 . 2]" 2
461 1 24 GLN QB 1 40 CYS HB2 . . 4.310 3.761 3.405 4.245 . 0 0 "[ . 1 . 2]" 2
462 1 40 CYS HB3 1 41 LEU H . . 4.450 3.709 3.506 3.952 . 0 0 "[ . 1 . 2]" 2
463 1 27 PHE QD 1 29 PRO HA . . 3.760 3.489 3.284 3.677 . 0 0 "[ . 1 . 2]" 2
464 1 19 VAL H 1 22 CYS HB3 . . 4.860 4.678 4.301 4.863 0.003 10 0 "[ . 1 . 2]" 2
465 1 21 HIS HE1 1 22 CYS HB3 . . 5.020 4.965 4.628 5.043 0.023 7 0 "[ . 1 . 2]" 2
466 1 19 VAL HB 1 22 CYS HB3 . . 3.790 2.441 2.027 2.759 . 0 0 "[ . 1 . 2]" 2
467 1 30 PHE HB3 1 44 ARG HB3 . . 4.970 3.772 3.397 4.179 . 0 0 "[ . 1 . 2]" 2
468 1 30 PHE HB2 1 44 ARG HB3 . . 4.870 3.248 2.959 3.604 . 0 0 "[ . 1 . 2]" 2
469 1 56 VAL HA 1 56 VAL MG2 . . 3.580 2.953 2.330 3.203 . 0 0 "[ . 1 . 2]" 2
470 1 57 VAL HA 1 57 VAL MG2 . . 3.700 2.315 2.177 2.424 . 0 0 "[ . 1 . 2]" 2
471 1 46 LYS HA 1 46 LYS HD2 . . 4.670 4.375 3.373 4.623 . 0 0 "[ . 1 . 2]" 2
472 1 46 LYS HA 1 46 LYS HD3 . . 4.670 4.351 3.417 4.650 . 0 0 "[ . 1 . 2]" 2
473 1 42 GLU H 1 42 GLU HB3 . . 3.670 3.543 3.481 3.600 . 0 0 "[ . 1 . 2]" 2
474 1 58 LYS HA 1 58 LYS QD . . 4.510 3.469 1.989 4.444 . 0 0 "[ . 1 . 2]" 2
475 1 31 VAL MG2 1 36 SER HB3 . . 5.080 4.068 3.442 4.894 . 0 0 "[ . 1 . 2]" 2
476 1 13 ILE HA 1 13 ILE MG . . 3.340 2.289 2.086 2.462 . 0 0 "[ . 1 . 2]" 2
477 1 22 CYS HA 1 24 GLN H . . 4.860 4.142 3.617 4.819 . 0 0 "[ . 1 . 2]" 2
478 1 19 VAL MG1 1 22 CYS HA . . 4.710 3.627 3.287 3.898 . 0 0 "[ . 1 . 2]" 2
479 1 22 CYS HA 1 23 ARG H . . 3.460 2.604 2.139 3.565 0.105 13 0 "[ . 1 . 2]" 2
480 1 21 HIS HE1 1 22 CYS HA . . 4.320 4.053 3.636 4.330 0.010 16 0 "[ . 1 . 2]" 2
481 1 19 VAL HB 1 22 CYS HA . . 5.040 4.737 4.508 4.879 . 0 0 "[ . 1 . 2]" 2
482 1 46 LYS HA 1 51 CYS HB2 . . 3.420 2.239 2.057 2.836 . 0 0 "[ . 1 . 2]" 2
483 1 46 LYS HA 1 46 LYS HG3 . . 3.610 2.793 2.174 3.370 . 0 0 "[ . 1 . 2]" 2
484 1 18 GLN HB3 1 19 VAL H . . 4.360 3.583 3.493 3.725 . 0 0 "[ . 1 . 2]" 2
485 1 18 GLN HB3 1 39 PHE HE1 . . 4.680 3.384 3.265 3.471 . 0 0 "[ . 1 . 2]" 2
486 1 18 GLN HB2 1 39 PHE HE1 . . 4.710 1.976 1.946 1.999 . 0 0 "[ . 1 . 2]" 2
487 1 38 ILE H 1 38 ILE HG13 . . 4.210 2.646 2.195 3.557 . 0 0 "[ . 1 . 2]" 2
488 1 46 LYS HG2 1 51 CYS HB3 . . 4.330 2.909 2.362 3.557 . 0 0 "[ . 1 . 2]" 2
489 1 41 LEU HG 1 42 GLU HA . . 5.020 4.116 3.264 5.004 . 0 0 "[ . 1 . 2]" 2
490 1 17 CYS HA 1 39 PHE HB3 . . 4.750 4.041 3.765 4.343 . 0 0 "[ . 1 . 2]" 2
491 1 17 CYS HA 1 27 PHE HZ . . 3.880 3.256 2.632 3.884 0.004 9 0 "[ . 1 . 2]" 2
492 1 29 PRO HG3 1 38 ILE MG . . 4.830 4.275 3.791 4.765 . 0 0 "[ . 1 . 2]" 2
493 1 46 LYS HG3 1 51 CYS HB2 . . 4.650 3.693 2.245 4.490 . 0 0 "[ . 1 . 2]" 2
494 1 29 PRO HG2 1 38 ILE MG . . 4.830 4.272 3.853 4.781 . 0 0 "[ . 1 . 2]" 2
495 1 11 LEU H 1 11 LEU HG . . 4.440 3.685 2.791 4.468 0.028 11 0 "[ . 1 . 2]" 2
496 1 41 LEU H 1 41 LEU HG . . 4.480 4.408 4.320 4.487 0.007 1 0 "[ . 1 . 2]" 2
497 1 41 LEU HG 1 42 GLU H . . 4.740 4.038 3.299 4.792 0.052 9 0 "[ . 1 . 2]" 2
498 1 17 CYS HA 1 18 GLN HB2 . . 4.470 4.377 4.289 4.449 . 0 0 "[ . 1 . 2]" 2
499 1 39 PHE HD2 1 44 ARG HA . . 4.550 3.597 3.369 3.822 . 0 0 "[ . 1 . 2]" 2
500 1 39 PHE HB2 1 44 ARG HA . . 3.300 2.533 2.423 2.627 . 0 0 "[ . 1 . 2]" 2
501 1 20 GLN HA 1 22 CYS H . . 4.020 3.864 3.508 4.022 0.002 5 0 "[ . 1 . 2]" 2
502 1 41 LEU HA 1 41 LEU MD2 . . 4.100 3.677 3.325 4.011 . 0 0 "[ . 1 . 2]" 2
503 1 41 LEU HA 1 44 ARG H . . 3.870 3.471 3.312 3.560 . 0 0 "[ . 1 . 2]" 2
504 1 44 ARG H 1 44 ARG HG2 . . 4.150 2.589 2.446 2.953 . 0 0 "[ . 1 . 2]" 2
505 1 45 SER HA 1 46 LYS QB . . 4.780 4.441 4.239 4.695 . 0 0 "[ . 1 . 2]" 2
506 1 42 GLU HA 1 42 GLU HG2 . . 4.010 2.917 2.238 3.649 . 0 0 "[ . 1 . 2]" 2
507 1 42 GLU HA 1 42 GLU HG3 . . 4.010 3.118 2.202 3.784 . 0 0 "[ . 1 . 2]" 2
508 1 28 LEU MD2 1 30 PHE QE . . 5.010 4.220 3.499 4.662 . 0 0 "[ . 1 . 2]" 2
509 1 28 LEU MD2 1 30 PHE HZ . . 5.420 4.406 3.001 5.254 . 0 0 "[ . 1 . 2]" 2
510 1 11 LEU H 1 11 LEU MD1 . . 5.100 3.857 2.322 4.412 . 0 0 "[ . 1 . 2]" 2
511 1 11 LEU HA 1 11 LEU MD1 . . 4.500 3.369 2.053 4.099 . 0 0 "[ . 1 . 2]" 2
512 1 18 GLN HA 1 18 GLN HG3 . . 4.100 3.641 3.230 3.730 . 0 0 "[ . 1 . 2]" 2
513 1 18 GLN HA 1 18 GLN HG2 . . 4.100 2.756 2.288 3.043 . 0 0 "[ . 1 . 2]" 2
514 1 53 GLU HA 1 53 GLU HG2 . . 3.420 2.422 2.238 2.602 . 0 0 "[ . 1 . 2]" 2
515 1 28 LEU HA 1 28 LEU MD2 . . 3.810 2.328 2.001 3.501 . 0 0 "[ . 1 . 2]" 2
516 1 27 PHE QE 1 40 CYS HA . . 4.230 3.157 2.542 3.497 . 0 0 "[ . 1 . 2]" 2
517 1 28 LEU MD1 1 30 PHE QE . . 4.110 2.880 2.248 4.125 0.015 10 0 "[ . 1 . 2]" 2
518 1 28 LEU HA 1 28 LEU MD1 . . 3.920 3.666 2.011 3.922 0.002 9 0 "[ . 1 . 2]" 2
519 1 41 LEU H 1 41 LEU MD1 . . 4.620 4.220 4.092 4.345 . 0 0 "[ . 1 . 2]" 2
520 1 30 PHE QE 1 41 LEU MD1 . . 3.870 2.706 2.379 3.043 . 0 0 "[ . 1 . 2]" 2
521 1 41 LEU HA 1 41 LEU MD1 . . 3.650 3.152 2.570 3.622 . 0 0 "[ . 1 . 2]" 2
522 1 11 LEU HA 1 11 LEU MD2 . . 4.500 2.891 1.945 4.079 . 0 0 "[ . 1 . 2]" 2
523 1 19 VAL MG2 1 39 PHE HE1 . . 4.380 4.351 4.171 4.413 0.033 10 0 "[ . 1 . 2]" 2
524 1 19 VAL MG2 1 39 PHE HD1 . . 4.120 3.897 3.721 4.087 . 0 0 "[ . 1 . 2]" 2
525 1 19 VAL MG2 1 39 PHE HD2 . . 4.340 3.894 3.534 4.079 . 0 0 "[ . 1 . 2]" 2
526 1 19 VAL MG2 1 39 PHE HE2 . . 4.750 4.370 4.028 4.503 . 0 0 "[ . 1 . 2]" 2
527 1 19 VAL MG2 1 49 HIS HA . . 4.420 4.260 3.863 4.462 0.042 5 0 "[ . 1 . 2]" 2
528 1 19 VAL MG2 1 43 HIS HB3 . . 3.480 2.666 2.372 2.968 . 0 0 "[ . 1 . 2]" 2
529 1 19 VAL MG2 1 39 PHE HB3 . . 4.040 3.016 2.832 3.279 . 0 0 "[ . 1 . 2]" 2
530 1 19 VAL MG2 1 22 CYS HB2 . . 4.450 3.486 3.124 3.614 . 0 0 "[ . 1 . 2]" 2
531 1 19 VAL MG2 1 49 HIS HB3 . . 3.480 2.949 2.565 3.279 . 0 0 "[ . 1 . 2]" 2
532 1 15 GLN HA 1 15 GLN QG . . 3.540 2.658 2.177 3.471 . 0 0 "[ . 1 . 2]" 2
533 1 11 LEU HA 1 12 ASP H . . 3.530 2.418 2.141 3.542 0.012 2 0 "[ . 1 . 2]" 2
534 1 57 VAL H 1 57 VAL MG2 . . 4.530 3.125 1.883 3.922 . 0 0 "[ . 1 . 2]" 2
535 1 56 VAL H 1 56 VAL MG2 . . 4.330 2.349 1.855 3.904 . 0 0 "[ . 1 . 2]" 2
536 1 31 VAL HA 1 31 VAL MG1 . . 3.460 3.188 3.175 3.197 . 0 0 "[ . 1 . 2]" 2
537 1 31 VAL MG1 1 32 CYS HA . . 5.100 4.581 4.487 4.793 . 0 0 "[ . 1 . 2]" 2
538 1 31 VAL MG1 1 38 ILE HA . . 5.500 4.675 4.490 4.823 . 0 0 "[ . 1 . 2]" 2
539 1 56 VAL HA 1 56 VAL MG1 . . 3.580 2.428 2.084 3.197 . 0 0 "[ . 1 . 2]" 2
540 1 57 VAL HA 1 57 VAL MG1 . . 3.700 2.783 2.271 3.203 . 0 0 "[ . 1 . 2]" 2
541 1 31 VAL MG2 1 36 SER H . . 4.310 4.058 3.713 4.269 . 0 0 "[ . 1 . 2]" 2
542 1 31 VAL HA 1 31 VAL MG2 . . 3.390 2.428 2.283 2.496 . 0 0 "[ . 1 . 2]" 2
543 1 31 VAL MG2 1 32 CYS HA . . 4.950 4.188 3.981 4.336 . 0 0 "[ . 1 . 2]" 2
544 1 31 VAL MG2 1 38 ILE HA . . 5.240 3.999 3.887 4.138 . 0 0 "[ . 1 . 2]" 2
545 1 31 VAL MG2 1 36 SER HA . . 3.370 2.417 1.953 2.721 . 0 0 "[ . 1 . 2]" 2
546 1 31 VAL MG2 1 36 SER HB2 . . 5.080 4.204 2.788 4.911 . 0 0 "[ . 1 . 2]" 2
547 1 19 VAL MG1 1 22 CYS HB3 . . 4.160 2.813 2.389 3.263 . 0 0 "[ . 1 . 2]" 2
548 1 19 VAL MG1 1 22 CYS HB2 . . 3.890 2.204 1.937 2.578 . 0 0 "[ . 1 . 2]" 2
549 1 27 PHE QE 1 38 ILE MG . . 3.710 2.980 2.608 3.211 . 0 0 "[ . 1 . 2]" 2
550 1 27 PHE HZ 1 38 ILE MG . . 4.080 3.925 3.547 4.119 0.039 9 0 "[ . 1 . 2]" 2
551 1 38 ILE H 1 38 ILE MG . . 4.360 3.759 3.725 3.767 . 0 0 "[ . 1 . 2]" 2
552 1 31 VAL HA 1 38 ILE MG . . 4.620 3.585 3.412 4.026 . 0 0 "[ . 1 . 2]" 2
553 1 38 ILE HA 1 38 ILE MG . . 3.260 2.396 2.332 2.471 . 0 0 "[ . 1 . 2]" 2
554 1 29 PRO HA 1 38 ILE MG . . 4.120 2.269 2.083 2.566 . 0 0 "[ . 1 . 2]" 2
555 1 17 CYS HA 1 38 ILE MG . . 4.300 4.102 3.713 4.280 . 0 0 "[ . 1 . 2]" 2
556 1 15 GLN QG 1 38 ILE MG . . 4.180 3.217 1.743 4.040 . 0 0 "[ . 1 . 2]" 2
557 1 29 PRO HB3 1 38 ILE MG . . 3.470 2.489 2.004 2.923 . 0 0 "[ . 1 . 2]" 2
558 1 60 ARG HA 1 61 PRO HD3 . . 3.270 2.332 2.253 3.229 . 0 0 "[ . 1 . 2]" 2
559 1 60 ARG HA 1 61 PRO HD2 . . 3.270 2.220 1.936 2.543 . 0 0 "[ . 1 . 2]" 2
560 1 28 LEU MD2 1 29 PRO HD3 . . 4.450 3.649 3.237 4.511 0.061 4 0 "[ . 1 . 2]" 2
561 1 28 LEU HA 1 29 PRO HD3 . . 3.010 2.269 2.253 2.321 . 0 0 "[ . 1 . 2]" 2
562 1 28 LEU QB 1 29 PRO HD3 . . 4.310 3.924 3.659 4.152 . 0 0 "[ . 1 . 2]" 2
563 1 28 LEU HA 1 29 PRO HD2 . . 3.010 2.095 1.979 2.219 . 0 0 "[ . 1 . 2]" 2
564 1 28 LEU MD2 1 29 PRO HD2 . . 4.450 2.692 2.137 3.898 . 0 0 "[ . 1 . 2]" 2
565 1 28 LEU QB 1 29 PRO HD2 . . 4.310 2.771 2.378 3.143 . 0 0 "[ . 1 . 2]" 2
566 1 13 ILE H 1 13 ILE MG . . 4.020 3.339 2.382 3.880 . 0 0 "[ . 1 . 2]" 2
567 1 15 GLN HA 1 38 ILE MG . . 5.500 4.896 4.165 5.490 . 0 0 "[ . 1 . 2]" 2
568 1 15 GLN HA 1 38 ILE MD . . 5.500 4.650 3.813 5.518 0.018 19 0 "[ . 1 . 2]" 2
569 1 17 CYS HB3 1 22 CYS HB2 . . 4.680 4.429 4.212 4.635 . 0 0 "[ . 1 . 2]" 2
570 1 19 VAL MG2 1 49 HIS HB2 . . 3.480 2.899 2.561 3.123 . 0 0 "[ . 1 . 2]" 2
571 1 24 GLN HA 1 25 ARG QG . . 4.790 3.857 3.189 4.791 0.001 20 0 "[ . 1 . 2]" 2
572 1 26 ASP H 1 27 PHE QD . . 4.980 4.147 3.571 4.704 . 0 0 "[ . 1 . 2]" 2
573 1 30 PHE HB3 1 39 PHE HB2 . . 5.500 5.430 5.157 5.510 0.010 14 0 "[ . 1 . 2]" 2
574 1 30 PHE HB3 1 44 ARG HD2 . . 5.500 4.053 3.624 4.559 . 0 0 "[ . 1 . 2]" 2
575 1 31 VAL MG2 1 33 ASP HA . . 4.570 3.932 3.560 4.282 . 0 0 "[ . 1 . 2]" 2
576 1 41 LEU HA 1 41 LEU HG . . 3.710 2.756 2.467 3.042 . 0 0 "[ . 1 . 2]" 2
577 1 41 LEU HB2 1 41 LEU MD2 . . 3.430 2.935 2.671 3.139 . 0 0 "[ . 1 . 2]" 2
578 1 41 LEU HB3 1 41 LEU MD2 . . 3.430 2.130 1.989 2.211 . 0 0 "[ . 1 . 2]" 2
579 1 19 VAL MG1 1 43 HIS HD2 . . 5.100 4.929 4.589 5.122 0.022 19 0 "[ . 1 . 2]" 2
580 1 46 LYS HA 1 46 LYS HG2 . . 3.430 2.716 2.259 3.467 0.037 14 0 "[ . 1 . 2]" 2
581 1 49 HIS H 1 49 HIS HD2 . . 4.990 4.679 4.427 4.833 . 0 0 "[ . 1 . 2]" 2
582 1 71 GLY QA 1 72 PRO QD . . 3.220 1.945 1.842 2.287 . 0 0 "[ . 1 . 2]" 2
583 1 10 GLU H 1 10 GLU QB . . 3.590 2.739 2.370 3.343 . 0 0 "[ . 1 . 2]" 2
584 1 10 GLU QB 1 11 LEU H . . 3.970 3.534 2.877 3.963 . 0 0 "[ . 1 . 2]" 2
585 1 11 LEU H 1 11 LEU QD . . 4.320 3.246 1.978 3.951 . 0 0 "[ . 1 . 2]" 2
586 1 11 LEU HA 1 11 LEU QD . . 3.390 2.451 1.902 3.347 . 0 0 "[ . 1 . 2]" 2
587 1 12 ASP H 1 12 ASP QB . . 3.650 2.514 2.184 3.207 . 0 0 "[ . 1 . 2]" 2
588 1 12 ASP QB 1 13 ILE H . . 4.020 3.560 2.393 4.008 . 0 0 "[ . 1 . 2]" 2
589 1 13 ILE H 1 13 ILE QG . . 3.230 2.210 1.861 3.055 . 0 0 "[ . 1 . 2]" 2
590 1 13 ILE HA 1 13 ILE QG . . 3.730 2.902 2.276 3.307 . 0 0 "[ . 1 . 2]" 2
591 1 13 ILE QG 1 13 ILE MG . . 3.300 2.181 2.018 2.391 . 0 0 "[ . 1 . 2]" 2
592 1 13 ILE QG 1 14 GLY H . . 4.720 3.966 2.106 4.746 0.026 12 0 "[ . 1 . 2]" 2
593 1 14 GLY QA 1 15 GLN H . . 3.040 2.290 2.110 2.711 . 0 0 "[ . 1 . 2]" 2
594 1 15 GLN H 1 15 GLN QB . . 3.160 2.352 2.123 2.728 . 0 0 "[ . 1 . 2]" 2
595 1 15 GLN QB 1 16 HIS H . . 3.710 2.815 2.076 3.644 . 0 0 "[ . 1 . 2]" 2
596 1 15 GLN QB 1 38 ILE MG . . 3.750 2.770 2.130 3.762 0.012 3 0 "[ . 1 . 2]" 2
597 1 15 GLN QE 1 16 HIS H . . 4.560 3.833 2.145 4.566 0.006 19 0 "[ . 1 . 2]" 2
598 1 15 GLN QE 1 38 ILE MD . . 4.740 3.431 2.097 4.522 . 0 0 "[ . 1 . 2]" 2
599 1 16 HIS H 1 16 HIS QB . . 3.400 2.901 2.231 3.319 . 0 0 "[ . 1 . 2]" 2
600 1 16 HIS QB 1 17 CYS H . . 3.650 2.300 1.954 2.810 . 0 0 "[ . 1 . 2]" 2
601 1 16 HIS QB 1 27 PHE QE . . 5.040 3.706 3.107 4.443 . 0 0 "[ . 1 . 2]" 2
602 1 16 HIS QB 1 27 PHE HZ . . 5.340 3.592 2.796 4.351 . 0 0 "[ . 1 . 2]" 2
603 1 18 GLN H 1 18 GLN QG . . 3.480 2.328 2.197 2.483 . 0 0 "[ . 1 . 2]" 2
604 1 18 GLN HA 1 18 GLN QG . . 3.530 2.673 2.250 2.904 . 0 0 "[ . 1 . 2]" 2
605 1 18 GLN QG 1 19 VAL H . . 4.640 4.263 4.185 4.350 . 0 0 "[ . 1 . 2]" 2
606 1 18 GLN QG 1 38 ILE H . . 4.080 3.362 3.103 3.699 . 0 0 "[ . 1 . 2]" 2
607 1 18 GLN QG 1 38 ILE HB . . 4.700 4.336 3.931 4.685 . 0 0 "[ . 1 . 2]" 2
608 1 19 VAL HA 1 20 GLN QB . . 5.340 4.246 3.970 4.486 . 0 0 "[ . 1 . 2]" 2
609 1 19 VAL MG1 1 21 HIS QB . . 4.720 3.677 3.451 3.832 . 0 0 "[ . 1 . 2]" 2
610 1 19 VAL MG2 1 49 HIS QB . . 3.050 2.594 2.316 2.846 . 0 0 "[ . 1 . 2]" 2
611 1 20 GLN H 1 20 GLN QB . . 3.110 2.376 2.218 2.929 . 0 0 "[ . 1 . 2]" 2
612 1 22 CYS HA 1 23 ARG QB . . 4.880 4.335 4.111 4.926 0.046 15 0 "[ . 1 . 2]" 2
613 1 22 CYS HA 1 23 ARG QG . . 5.340 4.156 3.358 5.146 . 0 0 "[ . 1 . 2]" 2
614 1 23 ARG H 1 23 ARG QB . . 3.670 2.791 2.321 3.266 . 0 0 "[ . 1 . 2]" 2
615 1 23 ARG H 1 23 ARG QG . . 4.200 2.784 1.874 3.547 . 0 0 "[ . 1 . 2]" 2
616 1 23 ARG H 1 24 GLN QG . . 5.340 3.834 2.915 4.885 . 0 0 "[ . 1 . 2]" 2
617 1 23 ARG HA 1 23 ARG QG . . 3.700 2.716 2.155 3.414 . 0 0 "[ . 1 . 2]" 2
618 1 23 ARG QB 1 23 ARG QD . . 3.400 2.195 2.041 2.531 . 0 0 "[ . 1 . 2]" 2
619 1 23 ARG QG 1 24 GLN H . . 5.240 4.258 2.196 4.765 . 0 0 "[ . 1 . 2]" 2
620 1 24 GLN H 1 24 GLN QG . . 3.170 2.763 2.052 3.105 . 0 0 "[ . 1 . 2]" 2
621 1 24 GLN HA 1 24 GLN QG . . 3.610 2.580 2.156 2.955 . 0 0 "[ . 1 . 2]" 2
622 1 24 GLN HA 1 24 GLN QE . . 4.910 3.433 2.001 4.863 . 0 0 "[ . 1 . 2]" 2
623 1 24 GLN QB 1 27 PHE QB . . 4.470 2.540 1.981 3.213 . 0 0 "[ . 1 . 2]" 2
624 1 24 GLN QG 1 25 ARG H . . 4.630 4.179 3.288 4.553 . 0 0 "[ . 1 . 2]" 2
625 1 24 GLN QG 1 27 PHE QB . . 4.440 3.791 2.957 4.181 . 0 0 "[ . 1 . 2]" 2
626 1 24 GLN QG 1 27 PHE QD . . 4.560 4.107 3.713 4.561 0.001 4 0 "[ . 1 . 2]" 2
627 1 24 GLN QG 1 40 CYS HB2 . . 4.660 3.627 3.185 4.711 0.051 9 0 "[ . 1 . 2]" 2
628 1 24 GLN QG 1 40 CYS HB3 . . 4.310 3.601 3.039 4.330 0.020 2 0 "[ . 1 . 2]" 2
629 1 25 ARG H 1 25 ARG QB . . 3.630 2.691 2.242 3.324 . 0 0 "[ . 1 . 2]" 2
630 1 25 ARG H 1 26 ASP QB . . 5.340 4.572 3.911 5.246 . 0 0 "[ . 1 . 2]" 2
631 1 25 ARG QB 1 25 ARG QD . . 3.330 2.229 2.026 2.457 . 0 0 "[ . 1 . 2]" 2
632 1 25 ARG QB 1 27 PHE QD . . 5.340 4.959 4.372 5.342 0.002 6 0 "[ . 1 . 2]" 2
633 1 26 ASP QB 1 27 PHE H . . 4.120 3.933 3.815 4.048 . 0 0 "[ . 1 . 2]" 2
634 1 27 PHE H 1 27 PHE QB . . 3.460 2.816 2.588 3.047 . 0 0 "[ . 1 . 2]" 2
635 1 27 PHE QB 1 28 LEU H . . 3.190 2.181 1.978 2.315 . 0 0 "[ . 1 . 2]" 2
636 1 27 PHE QD 1 41 LEU QB . . 5.340 4.935 4.646 5.189 . 0 0 "[ . 1 . 2]" 2
637 1 28 LEU H 1 29 PRO QD . . 4.890 4.285 4.190 4.348 . 0 0 "[ . 1 . 2]" 2
638 1 28 LEU QB 1 29 PRO QD . . 3.660 2.716 2.349 3.054 . 0 0 "[ . 1 . 2]" 2
639 1 28 LEU MD1 1 29 PRO QD . . 4.730 4.143 2.098 4.646 . 0 0 "[ . 1 . 2]" 2
640 1 28 LEU MD2 1 29 PRO QD . . 3.660 2.612 2.109 3.593 . 0 0 "[ . 1 . 2]" 2
641 1 30 PHE HB2 1 44 ARG QG . . 5.340 4.844 4.580 5.150 . 0 0 "[ . 1 . 2]" 2
642 1 30 PHE HB2 1 44 ARG QD . . 5.340 4.155 3.864 4.471 . 0 0 "[ . 1 . 2]" 2
643 1 30 PHE HB3 1 44 ARG QB . . 4.320 2.619 2.189 3.066 . 0 0 "[ . 1 . 2]" 2
644 1 30 PHE HB3 1 44 ARG QG . . 5.170 4.560 4.089 4.947 . 0 0 "[ . 1 . 2]" 2
645 1 30 PHE QD 1 44 ARG QB . . 3.930 3.153 2.798 3.588 . 0 0 "[ . 1 . 2]" 2
646 1 30 PHE QD 1 44 ARG QD . . 4.310 3.624 3.289 3.876 . 0 0 "[ . 1 . 2]" 2
647 1 30 PHE QE 1 41 LEU QB . . 3.790 2.204 1.989 2.645 . 0 0 "[ . 1 . 2]" 2
648 1 31 VAL MG1 1 38 ILE QG . . 4.060 3.854 3.593 4.069 0.009 19 0 "[ . 1 . 2]" 2
649 1 31 VAL MG2 1 36 SER QB . . 4.320 3.583 2.683 4.094 . 0 0 "[ . 1 . 2]" 2
650 1 31 VAL MG2 1 38 ILE QG . . 4.550 3.090 2.801 3.422 . 0 0 "[ . 1 . 2]" 2
651 1 34 GLY H 1 46 LYS QD . . 5.340 4.902 3.418 5.350 0.010 20 0 "[ . 1 . 2]" 2
652 1 34 GLY H 1 46 LYS QE . . 3.790 3.420 3.049 3.808 0.018 5 0 "[ . 1 . 2]" 2
653 1 34 GLY H 1 56 VAL QG . . 5.440 4.981 3.972 5.445 0.005 11 0 "[ . 1 . 2]" 2
654 1 34 GLY QA 1 46 LYS QD . . 4.890 3.138 2.027 4.249 . 0 0 "[ . 1 . 2]" 2
655 1 34 GLY QA 1 46 LYS QE . . 3.370 2.349 1.899 2.844 . 0 0 "[ . 1 . 2]" 2
656 1 34 GLY QA 1 55 ASN QB . . 4.490 3.397 2.661 4.128 . 0 0 "[ . 1 . 2]" 2
657 1 34 GLY QA 1 56 VAL QG . . 3.150 2.740 1.850 3.132 . 0 0 "[ . 1 . 2]" 2
658 1 35 CYS H 1 55 ASN QD . . 4.940 4.327 3.993 4.728 . 0 0 "[ . 1 . 2]" 2
659 1 35 CYS HA 1 54 VAL QG . . 4.150 3.967 3.600 4.160 0.010 3 0 "[ . 1 . 2]" 2
660 1 35 CYS QB 1 54 VAL QG . . 3.840 3.641 3.349 3.845 0.005 4 0 "[ . 1 . 2]" 2
661 1 36 SER HA 1 55 ASN QD . . 4.560 4.386 3.414 4.579 0.019 5 0 "[ . 1 . 2]" 2
662 1 36 SER QB 1 55 ASN QD . . 5.180 3.052 2.049 4.447 . 0 0 "[ . 1 . 2]" 2
663 1 38 ILE HA 1 38 ILE QG . . 3.700 2.380 2.230 2.575 . 0 0 "[ . 1 . 2]" 2
664 1 39 PHE HD2 1 49 HIS QB . . 4.650 3.812 3.491 4.194 . 0 0 "[ . 1 . 2]" 2
665 1 39 PHE HE2 1 49 HIS QB . . 4.800 3.983 3.728 4.335 . 0 0 "[ . 1 . 2]" 2
666 1 40 CYS HB2 1 41 LEU QB . . 4.320 3.826 3.656 4.021 . 0 0 "[ . 1 . 2]" 2
667 1 41 LEU H 1 41 LEU QB . . 2.980 2.215 2.167 2.255 . 0 0 "[ . 1 . 2]" 2
668 1 41 LEU HA 1 44 ARG QG . . 3.770 3.482 3.213 3.658 . 0 0 "[ . 1 . 2]" 2
669 1 41 LEU HA 1 44 ARG QD . . 3.660 2.381 2.004 2.760 . 0 0 "[ . 1 . 2]" 2
670 1 41 LEU QB 1 41 LEU MD1 . . 3.260 2.047 1.935 2.146 . 0 0 "[ . 1 . 2]" 2
671 1 41 LEU QB 1 41 LEU MD2 . . 2.990 2.077 1.946 2.169 . 0 0 "[ . 1 . 2]" 2
672 1 41 LEU QB 1 42 GLU H . . 3.630 2.640 2.465 2.970 . 0 0 "[ . 1 . 2]" 2
673 1 41 LEU HG 1 44 ARG QD . . 4.110 2.723 1.976 3.513 . 0 0 "[ . 1 . 2]" 2
674 1 41 LEU MD1 1 44 ARG QD . . 3.680 2.898 1.926 3.631 . 0 0 "[ . 1 . 2]" 2
675 1 41 LEU MD2 1 44 ARG QD . . 4.510 3.810 2.961 4.536 0.026 19 0 "[ . 1 . 2]" 2
676 1 42 GLU H 1 42 GLU QB . . 2.940 2.272 2.156 2.440 . 0 0 "[ . 1 . 2]" 2
677 1 42 GLU H 1 42 GLU QG . . 3.580 2.836 2.226 3.593 0.013 4 0 "[ . 1 . 2]" 2
678 1 42 GLU QG 1 43 HIS H . . 5.030 4.362 4.055 4.607 . 0 0 "[ . 1 . 2]" 2
679 1 43 HIS HB3 1 48 SER QB . . 5.180 4.062 3.586 4.502 . 0 0 "[ . 1 . 2]" 2
680 1 43 HIS HB3 1 49 HIS QB . . 4.080 3.158 2.773 3.611 . 0 0 "[ . 1 . 2]" 2
681 1 43 HIS HD2 1 48 SER QB . . 3.510 2.497 1.961 3.551 0.041 6 0 "[ . 1 . 2]" 2
682 1 43 HIS HD2 1 49 HIS QB . . 5.100 4.281 3.153 4.862 . 0 0 "[ . 1 . 2]" 2
683 1 44 ARG H 1 44 ARG QB . . 3.110 2.298 2.200 2.371 . 0 0 "[ . 1 . 2]" 2
684 1 44 ARG H 1 44 ARG QG . . 3.320 2.545 2.417 2.890 . 0 0 "[ . 1 . 2]" 2
685 1 44 ARG H 1 44 ARG QD . . 4.700 3.822 3.532 4.062 . 0 0 "[ . 1 . 2]" 2
686 1 44 ARG QB 1 44 ARG QD . . 3.210 2.144 2.084 2.229 . 0 0 "[ . 1 . 2]" 2
687 1 44 ARG QB 1 45 SER H . . 3.890 3.443 3.355 3.509 . 0 0 "[ . 1 . 2]" 2
688 1 44 ARG QG 1 45 SER H . . 3.360 2.152 1.929 2.353 . 0 0 "[ . 1 . 2]" 2
689 1 44 ARG QG 1 45 SER HA . . 4.680 3.032 2.926 3.312 . 0 0 "[ . 1 . 2]" 2
690 1 45 SER H 1 45 SER QB . . 2.970 2.279 2.165 2.664 . 0 0 "[ . 1 . 2]" 2
691 1 45 SER H 1 48 SER QB . . 4.400 3.812 3.201 4.402 0.002 18 0 "[ . 1 . 2]" 2
692 1 45 SER QB 1 46 LYS H . . 3.660 2.918 2.043 3.581 . 0 0 "[ . 1 . 2]" 2
693 1 46 LYS HA 1 46 LYS QD . . 4.090 3.864 3.193 4.092 0.002 18 0 "[ . 1 . 2]" 2
694 1 46 LYS QE 1 46 LYS HG3 . . 3.540 2.356 2.055 3.266 . 0 0 "[ . 1 . 2]" 2
695 1 46 LYS QD 1 51 CYS HB3 . . 4.570 3.281 2.120 4.475 . 0 0 "[ . 1 . 2]" 2
696 1 46 LYS QE 1 56 VAL QG . . 4.450 3.577 2.386 4.448 . 0 0 "[ . 1 . 2]" 2
697 1 47 ASP H 1 47 ASP QB . . 3.530 2.564 2.198 2.992 . 0 0 "[ . 1 . 2]" 2
698 1 47 ASP QB 1 48 SER H . . 3.620 2.707 2.359 3.736 0.116 20 0 "[ . 1 . 2]" 2
699 1 47 ASP QB 1 49 HIS H . . 5.340 4.845 4.519 5.315 . 0 0 "[ . 1 . 2]" 2
700 1 48 SER H 1 48 SER QB . . 2.940 2.368 2.171 2.646 . 0 0 "[ . 1 . 2]" 2
701 1 48 SER QB 1 49 HIS H . . 3.800 2.697 2.259 3.513 . 0 0 "[ . 1 . 2]" 2
702 1 49 HIS H 1 49 HIS QB . . 3.550 2.712 2.559 2.935 . 0 0 "[ . 1 . 2]" 2
703 1 49 HIS H 1 50 GLY QA . . 4.610 4.256 4.025 4.448 . 0 0 "[ . 1 . 2]" 2
704 1 52 SER HA 1 54 VAL QG . . 5.240 4.602 3.950 5.095 . 0 0 "[ . 1 . 2]" 2
705 1 53 GLU H 1 54 VAL QG . . 4.560 3.849 3.549 4.053 . 0 0 "[ . 1 . 2]" 2
706 1 53 GLU HA 1 56 VAL QG . . 3.760 2.958 1.990 3.674 . 0 0 "[ . 1 . 2]" 2
707 1 53 GLU QB 1 56 VAL QG . . 3.900 2.776 1.836 3.638 . 0 0 "[ . 1 . 2]" 2
708 1 53 GLU HG2 1 56 VAL QG . . 4.280 3.364 2.092 3.866 . 0 0 "[ . 1 . 2]" 2
709 1 53 GLU HG3 1 56 VAL QG . . 5.070 4.559 3.501 5.044 . 0 0 "[ . 1 . 2]" 2
710 1 54 VAL H 1 54 VAL QG . . 2.820 2.051 1.764 2.482 . 0 0 "[ . 1 . 2]" 2
711 1 54 VAL HA 1 54 VAL QG . . 3.010 2.209 2.046 2.351 . 0 0 "[ . 1 . 2]" 2
712 1 54 VAL QG 1 55 ASN H . . 3.910 2.397 1.900 3.382 . 0 0 "[ . 1 . 2]" 2
713 1 54 VAL QG 1 55 ASN HA . . 4.770 3.282 2.912 3.874 . 0 0 "[ . 1 . 2]" 2
714 1 54 VAL QG 1 55 ASN QB . . 4.930 3.766 3.017 4.509 . 0 0 "[ . 1 . 2]" 2
715 1 55 ASN H 1 55 ASN QB . . 3.300 2.330 2.127 2.625 . 0 0 "[ . 1 . 2]" 2
716 1 55 ASN H 1 55 ASN QD . . 4.790 3.929 3.072 4.552 . 0 0 "[ . 1 . 2]" 2
717 1 55 ASN QB 1 55 ASN QD . . 2.980 2.184 2.065 2.221 . 0 0 "[ . 1 . 2]" 2
718 1 55 ASN QB 1 56 VAL HA . . 4.830 4.070 3.834 4.623 . 0 0 "[ . 1 . 2]" 2
719 1 55 ASN QB 1 56 VAL QG . . 4.050 3.006 2.595 3.767 . 0 0 "[ . 1 . 2]" 2
720 1 56 VAL H 1 56 VAL QG . . 3.090 1.937 1.793 2.224 . 0 0 "[ . 1 . 2]" 2
721 1 56 VAL HA 1 56 VAL QG . . 2.980 2.207 2.058 2.411 . 0 0 "[ . 1 . 2]" 2
722 1 56 VAL QG 1 57 VAL H . . 4.090 3.407 2.896 3.750 . 0 0 "[ . 1 . 2]" 2
723 1 57 VAL H 1 57 VAL QG . . 3.050 2.354 1.878 3.026 . 0 0 "[ . 1 . 2]" 2
724 1 57 VAL HA 1 57 VAL QG . . 2.980 2.164 2.068 2.345 . 0 0 "[ . 1 . 2]" 2
725 1 57 VAL QG 1 58 LYS H . . 3.950 2.384 1.876 3.507 . 0 0 "[ . 1 . 2]" 2
726 1 57 VAL QG 1 58 LYS HA . . 4.390 3.779 3.472 4.090 . 0 0 "[ . 1 . 2]" 2
727 1 57 VAL QG 1 58 LYS QG . . 4.850 3.810 2.243 4.818 . 0 0 "[ . 1 . 2]" 2
728 1 57 VAL QG 1 58 LYS QD . . 4.970 4.303 2.102 4.979 0.009 7 0 "[ . 1 . 2]" 2
729 1 58 LYS H 1 58 LYS QB . . 3.520 2.479 2.230 2.940 . 0 0 "[ . 1 . 2]" 2
730 1 58 LYS H 1 58 LYS QG . . 4.320 3.057 2.019 4.360 0.040 15 0 "[ . 1 . 2]" 2
731 1 58 LYS HA 1 58 LYS QG . . 3.740 2.694 2.104 3.416 . 0 0 "[ . 1 . 2]" 2
732 1 59 GLU H 1 59 GLU QB . . 3.590 2.446 2.183 3.278 . 0 0 "[ . 1 . 2]" 2
733 1 60 ARG H 1 60 ARG QB . . 3.680 2.532 2.144 3.174 . 0 0 "[ . 1 . 2]" 2
734 1 60 ARG HA 1 61 PRO QD . . 2.860 2.008 1.857 2.288 . 0 0 "[ . 1 . 2]" 2
735 1 60 ARG QB 1 61 PRO QD . . 3.590 2.689 1.972 3.789 0.199 3 0 "[ . 1 . 2]" 2
736 1 60 ARG QG 1 61 PRO QD . . 4.570 3.055 1.917 4.348 . 0 0 "[ . 1 . 2]" 2
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