NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505847 |
1we9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1we9
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 28
_Distance_constraint_stats_list.Viol_count 244
_Distance_constraint_stats_list.Viol_total 24.673
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0051
_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 9 CYS 0.167 0.012 10 0 "[ . 1 . 2]"
1 12 CYS 0.113 0.012 13 0 "[ . 1 . 2]"
1 25 CYS 0.381 0.025 13 0 "[ . 1 . 2]"
1 28 CYS 0.236 0.025 13 0 "[ . 1 . 2]"
1 33 HIS 0.090 0.013 13 0 "[ . 1 . 2]"
1 36 CYS 0.181 0.013 15 0 "[ . 1 . 2]"
1 52 CYS 0.192 0.018 12 0 "[ . 1 . 2]"
1 55 CYS 0.227 0.019 19 0 "[ . 1 . 2]"
2 1 ZN 0.291 0.013 15 0 "[ . 1 . 2]"
3 1 ZN 0.589 0.024 13 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 9 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.324 2.365 0.006 10 0 "[ . 1 . 2]" 1
2 1 12 CYS SG 2 1 ZN ZN . 2.330 2.370 2.332 2.320 2.371 0.010 10 0 "[ . 1 . 2]" 1
3 1 36 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.317 2.365 0.013 15 0 "[ . 1 . 2]" 1
4 1 33 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.341 2.322 2.380 0.010 13 0 "[ . 1 . 2]" 1
5 1 9 CYS CB 2 1 ZN ZN . 3.250 3.510 3.286 3.241 3.487 0.009 10 0 "[ . 1 . 2]" 1
6 1 12 CYS CB 2 1 ZN ZN . 3.250 3.510 3.499 3.392 3.516 0.006 13 0 "[ . 1 . 2]" 1
7 1 33 HIS CG 2 1 ZN ZN . 3.250 3.510 3.291 3.237 3.503 0.013 13 0 "[ . 1 . 2]" 1
8 1 36 CYS CB 2 1 ZN ZN . 3.250 3.510 3.491 3.361 3.516 0.006 20 0 "[ . 1 . 2]" 1
9 1 9 CYS SG 1 12 CYS SG . 3.200 4.000 3.980 3.839 4.012 0.012 13 0 "[ . 1 . 2]" 1
10 1 9 CYS SG 1 33 HIS ND1 . 3.200 4.000 3.621 3.197 4.003 0.003 1 0 "[ . 1 . 2]" 1
11 1 9 CYS SG 1 36 CYS SG . 3.200 4.000 3.998 3.966 4.012 0.012 10 0 "[ . 1 . 2]" 1
12 1 12 CYS SG 1 33 HIS ND1 . 3.200 4.000 3.569 3.200 3.870 0.000 15 0 "[ . 1 . 2]" 1
13 1 12 CYS SG 1 36 CYS SG . 3.200 4.000 3.684 3.201 4.003 0.003 1 0 "[ . 1 . 2]" 1
14 1 33 HIS ND1 1 36 CYS SG . 3.200 4.000 3.864 3.432 4.006 0.006 3 0 "[ . 1 . 2]" 1
15 1 25 CYS SG 3 1 ZN ZN . 2.330 2.370 2.325 2.306 2.373 0.024 13 0 "[ . 1 . 2]" 1
16 1 28 CYS SG 3 1 ZN ZN . 2.330 2.370 2.337 2.309 2.371 0.021 13 0 "[ . 1 . 2]" 1
17 1 52 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.312 2.357 0.018 12 0 "[ . 1 . 2]" 1
18 1 55 CYS SG 3 1 ZN ZN . 2.330 2.370 2.338 2.314 2.378 0.016 19 0 "[ . 1 . 2]" 1
19 1 25 CYS CB 3 1 ZN ZN . 3.250 3.510 3.423 3.247 3.528 0.018 13 0 "[ . 1 . 2]" 1
20 1 28 CYS CB 3 1 ZN ZN . 3.250 3.510 3.375 3.248 3.519 0.009 19 0 "[ . 1 . 2]" 1
21 1 52 CYS CB 3 1 ZN ZN . 3.250 3.510 3.420 3.267 3.525 0.015 12 0 "[ . 1 . 2]" 1
22 1 55 CYS CB 3 1 ZN ZN . 3.250 3.510 3.435 3.247 3.522 0.012 12 0 "[ . 1 . 2]" 1
23 1 25 CYS SG 1 28 CYS SG . 3.200 4.000 3.923 3.657 4.025 0.025 13 0 "[ . 1 . 2]" 1
24 1 25 CYS SG 1 52 CYS SG . 3.200 4.000 3.870 3.476 4.006 0.006 13 0 "[ . 1 . 2]" 1
25 1 25 CYS SG 1 55 CYS SG . 3.200 4.000 3.922 3.377 4.016 0.016 12 0 "[ . 1 . 2]" 1
26 1 28 CYS SG 1 52 CYS SG . 3.200 4.000 3.721 3.195 4.012 0.012 18 0 "[ . 1 . 2]" 1
27 1 28 CYS SG 1 55 CYS SG . 3.200 4.000 3.808 3.433 4.019 0.019 19 0 "[ . 1 . 2]" 1
28 1 52 CYS SG 1 55 CYS SG . 3.200 4.000 3.414 3.191 3.743 0.009 19 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 671
_Distance_constraint_stats_list.Viol_count 401
_Distance_constraint_stats_list.Viol_total 203.371
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0254
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.070 0.037 13 0 "[ . 1 . 2]"
1 9 CYS 0.015 0.012 17 0 "[ . 1 . 2]"
1 10 GLY 0.075 0.020 1 0 "[ . 1 . 2]"
1 11 ALA 0.152 0.022 17 0 "[ . 1 . 2]"
1 12 CYS 0.040 0.019 11 0 "[ . 1 . 2]"
1 13 GLY 0.086 0.037 13 0 "[ . 1 . 2]"
1 14 GLU 0.137 0.038 13 0 "[ . 1 . 2]"
1 15 SER 0.128 0.071 15 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.055 0.034 1 0 "[ . 1 . 2]"
1 19 ASP 0.046 0.034 1 0 "[ . 1 . 2]"
1 20 GLU 0.300 0.125 12 0 "[ . 1 . 2]"
1 21 PHE 0.073 0.018 19 0 "[ . 1 . 2]"
1 22 TRP 0.033 0.012 15 0 "[ . 1 . 2]"
1 23 ILE 2.060 0.114 19 0 "[ . 1 . 2]"
1 24 CYS 0.405 0.080 14 0 "[ . 1 . 2]"
1 25 CYS 0.458 0.080 14 0 "[ . 1 . 2]"
1 26 ASP 0.209 0.039 15 0 "[ . 1 . 2]"
1 27 LEU 1.161 0.139 19 0 "[ . 1 . 2]"
1 28 CYS 0.884 0.159 7 0 "[ . 1 . 2]"
1 29 GLU 0.534 0.159 7 0 "[ . 1 . 2]"
1 30 MET 0.131 0.043 4 0 "[ . 1 . 2]"
1 31 TRP 0.035 0.035 4 0 "[ . 1 . 2]"
1 32 PHE 0.432 0.042 15 0 "[ . 1 . 2]"
1 33 HIS 0.119 0.038 13 0 "[ . 1 . 2]"
1 34 GLY 0.131 0.023 8 0 "[ . 1 . 2]"
1 35 LYS 0.066 0.040 19 0 "[ . 1 . 2]"
1 36 CYS 0.189 0.049 16 0 "[ . 1 . 2]"
1 37 VAL 1.628 0.114 19 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.408 0.070 5 0 "[ . 1 . 2]"
1 40 THR 0.154 0.041 8 0 "[ . 1 . 2]"
1 41 PRO 0.050 0.012 4 0 "[ . 1 . 2]"
1 42 ALA 0.034 0.015 16 0 "[ . 1 . 2]"
1 43 ARG 0.573 0.054 17 0 "[ . 1 . 2]"
1 44 ALA 0.227 0.041 8 0 "[ . 1 . 2]"
1 45 GLU 0.034 0.015 16 0 "[ . 1 . 2]"
1 46 HIS 0.199 0.027 14 0 "[ . 1 . 2]"
1 47 ILE 0.469 0.117 10 0 "[ . 1 . 2]"
1 48 LYS 0.190 0.179 14 0 "[ . 1 . 2]"
1 49 GLN 0.219 0.117 10 0 "[ . 1 . 2]"
1 50 TYR 0.371 0.042 15 0 "[ . 1 . 2]"
1 51 LYS 2.274 0.194 18 0 "[ . 1 . 2]"
1 52 CYS 0.046 0.020 10 0 "[ . 1 . 2]"
1 53 PRO 0.003 0.003 4 0 "[ . 1 . 2]"
1 54 SER 0.305 0.096 20 0 "[ . 1 . 2]"
1 55 CYS 0.341 0.040 19 0 "[ . 1 . 2]"
1 56 SER 1.938 0.194 18 0 "[ . 1 . 2]"
1 57 ASN 0.249 0.096 20 0 "[ . 1 . 2]"
1 58 LYS 0.144 0.042 17 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 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 49 GLN HA 1 50 TYR H . . 3.010 2.339 2.161 2.674 . 0 0 "[ . 1 . 2]" 2
2 1 23 ILE HA 1 24 CYS H . . 3.410 2.306 2.141 2.399 . 0 0 "[ . 1 . 2]" 2
3 1 11 ALA H 1 32 PHE QD . . 3.340 2.619 2.074 2.920 . 0 0 "[ . 1 . 2]" 2
4 1 11 ALA H 1 11 ALA MB . . 3.020 2.070 2.023 2.208 . 0 0 "[ . 1 . 2]" 2
5 1 11 ALA H 1 12 CYS H . . 3.050 2.927 2.777 3.045 . 0 0 "[ . 1 . 2]" 2
6 1 54 SER HB2 1 55 CYS H . . 4.160 3.606 2.667 4.178 0.018 12 0 "[ . 1 . 2]" 2
7 1 54 SER HB3 1 55 CYS H . . 4.160 3.067 2.205 4.072 . 0 0 "[ . 1 . 2]" 2
8 1 15 SER HA 1 16 TYR H . . 3.540 2.360 2.280 2.410 . 0 0 "[ . 1 . 2]" 2
9 1 16 TYR H 1 16 TYR HB2 . . 4.000 2.462 2.192 2.725 . 0 0 "[ . 1 . 2]" 2
10 1 16 TYR H 1 16 TYR HB3 . . 4.000 2.642 2.357 2.957 . 0 0 "[ . 1 . 2]" 2
11 1 33 HIS H 1 33 HIS HB2 . . 4.150 2.563 2.386 2.791 . 0 0 "[ . 1 . 2]" 2
12 1 14 GLU H 1 14 GLU HG3 . . 3.860 3.398 2.566 3.870 0.010 2 0 "[ . 1 . 2]" 2
13 1 14 GLU H 1 14 GLU HB3 . . 3.700 3.530 3.481 3.609 . 0 0 "[ . 1 . 2]" 2
14 1 43 ARG HB2 1 44 ALA H . . 4.020 3.992 3.892 4.054 0.034 19 0 "[ . 1 . 2]" 2
15 1 44 ALA H 1 44 ALA MB . . 3.440 2.161 2.057 2.259 . 0 0 "[ . 1 . 2]" 2
16 1 43 ARG H 1 44 ALA H . . 3.870 2.501 2.242 2.763 . 0 0 "[ . 1 . 2]" 2
17 1 30 MET HA 1 31 TRP H . . 3.370 2.609 2.398 2.658 . 0 0 "[ . 1 . 2]" 2
18 1 31 TRP H 1 31 TRP QB . . 3.680 2.577 2.371 3.066 . 0 0 "[ . 1 . 2]" 2
19 1 27 LEU H 1 27 LEU HB2 . . 3.330 2.373 2.204 2.643 . 0 0 "[ . 1 . 2]" 2
20 1 22 TRP HA 1 23 ILE H . . 3.450 2.299 2.208 2.397 . 0 0 "[ . 1 . 2]" 2
21 1 23 ILE H 1 23 ILE MD . . 4.100 3.845 3.649 4.182 0.082 5 0 "[ . 1 . 2]" 2
22 1 47 ILE H 1 47 ILE HB . . 3.200 2.515 2.474 2.627 . 0 0 "[ . 1 . 2]" 2
23 1 47 ILE H 1 47 ILE HG12 . . 3.710 3.422 1.958 3.614 . 0 0 "[ . 1 . 2]" 2
24 1 47 ILE H 1 47 ILE HG13 . . 3.710 2.244 1.917 3.459 . 0 0 "[ . 1 . 2]" 2
25 1 47 ILE H 1 47 ILE MG . . 3.980 3.764 3.756 3.799 . 0 0 "[ . 1 . 2]" 2
26 1 39 ILE H 1 39 ILE MD . . 4.350 4.264 4.003 4.385 0.035 15 0 "[ . 1 . 2]" 2
27 1 38 LYS H 1 39 ILE H . . 3.480 2.738 2.633 2.836 . 0 0 "[ . 1 . 2]" 2
28 1 38 LYS HA 1 39 ILE H . . 3.170 2.729 2.655 2.897 . 0 0 "[ . 1 . 2]" 2
29 1 34 GLY HA2 1 39 ILE H . . 4.240 3.825 3.451 4.024 . 0 0 "[ . 1 . 2]" 2
30 1 39 ILE H 1 39 ILE HB . . 3.400 2.721 2.597 2.812 . 0 0 "[ . 1 . 2]" 2
31 1 39 ILE H 1 39 ILE MG . . 4.300 3.820 3.720 3.889 . 0 0 "[ . 1 . 2]" 2
32 1 25 CYS HB3 1 30 MET H . . 4.100 2.508 2.090 2.977 . 0 0 "[ . 1 . 2]" 2
33 1 30 MET H 1 30 MET HB2 . . 3.670 2.278 2.179 2.507 . 0 0 "[ . 1 . 2]" 2
34 1 33 HIS HB2 1 36 CYS H . . 3.620 2.612 2.413 2.797 . 0 0 "[ . 1 . 2]" 2
35 1 33 HIS HB3 1 36 CYS H . . 3.620 3.171 2.764 3.608 . 0 0 "[ . 1 . 2]" 2
36 1 27 LEU H 1 28 CYS H . . 3.140 2.818 2.134 3.200 0.060 19 0 "[ . 1 . 2]" 2
37 1 27 LEU HB2 1 28 CYS H . . 3.240 2.193 2.072 2.404 . 0 0 "[ . 1 . 2]" 2
38 1 25 CYS HB3 1 28 CYS H . . 3.840 3.534 2.946 3.852 0.012 20 0 "[ . 1 . 2]" 2
39 1 28 CYS H 1 28 CYS HB2 . . 4.010 3.371 2.778 3.695 . 0 0 "[ . 1 . 2]" 2
40 1 28 CYS H 1 28 CYS HB3 . . 4.010 2.997 2.506 3.689 . 0 0 "[ . 1 . 2]" 2
41 1 19 ASP H 1 20 GLU H . . 3.970 3.281 2.196 3.944 . 0 0 "[ . 1 . 2]" 2
42 1 20 GLU H 1 20 GLU QB . . 3.570 2.609 2.123 3.262 . 0 0 "[ . 1 . 2]" 2
43 1 8 GLN H 1 8 GLN HG2 . . 5.110 3.918 2.211 4.772 . 0 0 "[ . 1 . 2]" 2
44 1 8 GLN H 1 8 GLN HG3 . . 5.110 4.076 3.031 4.846 . 0 0 "[ . 1 . 2]" 2
45 1 8 GLN H 1 8 GLN QB . . 3.580 2.629 2.252 3.179 . 0 0 "[ . 1 . 2]" 2
46 1 43 ARG H 1 43 ARG HB3 . . 3.680 2.416 2.328 2.518 . 0 0 "[ . 1 . 2]" 2
47 1 43 ARG H 1 43 ARG HB2 . . 3.650 2.699 2.545 2.835 . 0 0 "[ . 1 . 2]" 2
48 1 42 ALA MB 1 43 ARG H . . 3.880 2.627 2.353 2.913 . 0 0 "[ . 1 . 2]" 2
49 1 44 ALA H 1 45 GLU H . . 4.150 2.928 2.699 3.004 . 0 0 "[ . 1 . 2]" 2
50 1 37 VAL H 1 38 LYS H . . 3.280 2.686 2.527 2.741 . 0 0 "[ . 1 . 2]" 2
51 1 38 LYS H 1 38 LYS QG . . 3.870 2.836 2.610 3.183 . 0 0 "[ . 1 . 2]" 2
52 1 40 THR H 1 40 THR MG . . 3.860 2.669 2.276 3.011 . 0 0 "[ . 1 . 2]" 2
53 1 45 GLU H 1 45 GLU HB2 . . 4.100 2.648 2.271 3.600 . 0 0 "[ . 1 . 2]" 2
54 1 9 CYS HB2 1 12 CYS H . . 4.630 4.403 4.267 4.591 . 0 0 "[ . 1 . 2]" 2
55 1 12 CYS H 1 12 CYS HB3 . . 4.000 3.033 2.865 3.169 . 0 0 "[ . 1 . 2]" 2
56 1 11 ALA MB 1 12 CYS H . . 3.210 2.325 2.073 2.517 . 0 0 "[ . 1 . 2]" 2
57 1 28 CYS H 1 29 GLU H . . 3.400 2.325 2.107 2.614 . 0 0 "[ . 1 . 2]" 2
58 1 29 GLU H 1 29 GLU QG . . 3.930 3.296 2.628 4.004 0.074 2 0 "[ . 1 . 2]" 2
59 1 14 GLU HB3 1 15 SER H . . 3.370 2.192 1.918 2.475 . 0 0 "[ . 1 . 2]" 2
60 1 46 HIS H 1 46 HIS HB3 . . 4.150 3.614 3.591 3.671 . 0 0 "[ . 1 . 2]" 2
61 1 56 SER H 1 56 SER HB2 . . 3.650 3.103 2.200 3.580 . 0 0 "[ . 1 . 2]" 2
62 1 56 SER H 1 56 SER HB3 . . 3.650 2.484 2.159 3.615 . 0 0 "[ . 1 . 2]" 2
63 1 55 CYS HB2 1 56 SER H . . 4.060 2.768 2.236 3.488 . 0 0 "[ . 1 . 2]" 2
64 1 55 CYS HB3 1 56 SER H . . 4.060 3.521 3.135 3.954 . 0 0 "[ . 1 . 2]" 2
65 1 22 TRP HA 1 34 GLY H . . 3.870 2.913 2.402 3.493 . 0 0 "[ . 1 . 2]" 2
66 1 53 PRO HD2 1 54 SER H . . 3.990 2.813 2.695 2.965 . 0 0 "[ . 1 . 2]" 2
67 1 52 CYS HB3 1 54 SER H . . 4.230 4.140 4.064 4.250 0.020 10 0 "[ . 1 . 2]" 2
68 1 54 SER H 1 55 CYS H . . 3.250 2.425 2.170 2.786 . 0 0 "[ . 1 . 2]" 2
69 1 13 GLY H 1 14 GLU H . . 3.570 2.520 2.259 2.878 . 0 0 "[ . 1 . 2]" 2
70 1 12 CYS H 1 13 GLY H . . 2.450 2.045 1.970 2.157 . 0 0 "[ . 1 . 2]" 2
71 1 34 GLY HA3 1 37 VAL H . . 5.480 4.768 4.514 5.080 . 0 0 "[ . 1 . 2]" 2
72 1 9 CYS H 1 22 TRP HH2 . . 4.430 3.961 2.955 4.442 0.012 17 0 "[ . 1 . 2]" 2
73 1 10 GLY H 1 32 PHE HA . . 4.670 3.923 3.162 4.615 . 0 0 "[ . 1 . 2]" 2
74 1 10 GLY H 1 11 ALA H . . 4.030 2.714 2.196 2.999 . 0 0 "[ . 1 . 2]" 2
75 1 11 ALA H 1 32 PHE HA . . 4.680 4.294 3.930 4.698 0.018 19 0 "[ . 1 . 2]" 2
76 1 9 CYS HB3 1 12 CYS H . . 4.630 3.294 3.127 3.667 . 0 0 "[ . 1 . 2]" 2
77 1 11 ALA H 1 13 GLY H . . 4.310 4.276 4.067 4.332 0.022 17 0 "[ . 1 . 2]" 2
78 1 15 SER HB2 1 16 TYR H . . 4.060 3.755 2.614 4.041 . 0 0 "[ . 1 . 2]" 2
79 1 23 ILE H 1 32 PHE QD . . 5.210 4.941 4.630 5.250 0.040 11 0 "[ . 1 . 2]" 2
80 1 23 ILE MG 1 24 CYS H . . 4.310 4.035 3.837 4.359 0.049 11 0 "[ . 1 . 2]" 2
81 1 25 CYS HB2 1 28 CYS H . . 5.050 4.573 4.272 4.934 . 0 0 "[ . 1 . 2]" 2
82 1 28 CYS H 1 29 GLU HA . . 4.820 4.566 4.360 4.851 0.031 18 0 "[ . 1 . 2]" 2
83 1 25 CYS HB3 1 29 GLU H . . 4.130 2.215 1.888 2.990 . 0 0 "[ . 1 . 2]" 2
84 1 30 MET HB3 1 31 TRP H . . 4.130 2.109 1.925 3.228 . 0 0 "[ . 1 . 2]" 2
85 1 31 TRP H 1 31 TRP HD1 . . 4.360 2.952 1.828 4.126 . 0 0 "[ . 1 . 2]" 2
86 1 32 PHE H 1 32 PHE QD . . 4.090 3.315 2.994 3.589 . 0 0 "[ . 1 . 2]" 2
87 1 32 PHE QD 1 33 HIS H . . 5.240 3.915 3.755 4.051 . 0 0 "[ . 1 . 2]" 2
88 1 33 HIS H 1 37 VAL H . . 5.500 3.933 3.733 4.486 . 0 0 "[ . 1 . 2]" 2
89 1 33 HIS H 1 34 GLY H . . 4.600 4.453 4.371 4.519 . 0 0 "[ . 1 . 2]" 2
90 1 21 PHE QD 1 34 GLY H . . 5.010 3.626 3.073 4.272 . 0 0 "[ . 1 . 2]" 2
91 1 23 ILE H 1 34 GLY H . . 3.980 3.863 3.528 3.995 0.015 17 0 "[ . 1 . 2]" 2
92 1 35 LYS QG 1 36 CYS H . . 4.190 2.719 1.886 3.964 . 0 0 "[ . 1 . 2]" 2
93 1 35 LYS QD 1 36 CYS H . . 4.640 3.835 1.838 4.680 0.040 19 0 "[ . 1 . 2]" 2
94 1 33 HIS H 1 36 CYS H . . 4.120 4.036 3.904 4.147 0.027 8 0 "[ . 1 . 2]" 2
95 1 36 CYS HB2 1 37 VAL H . . 4.720 2.676 2.552 2.851 . 0 0 "[ . 1 . 2]" 2
96 1 36 CYS HB3 1 37 VAL H . . 4.720 3.267 3.019 3.543 . 0 0 "[ . 1 . 2]" 2
97 1 35 LYS HA 1 37 VAL H . . 4.680 4.511 4.291 4.630 . 0 0 "[ . 1 . 2]" 2
98 1 37 VAL H 1 39 ILE H . . 4.310 3.853 3.556 4.117 . 0 0 "[ . 1 . 2]" 2
99 1 38 LYS HB3 1 39 ILE H . . 4.650 4.397 4.339 4.465 . 0 0 "[ . 1 . 2]" 2
100 1 40 THR H 1 43 ARG HB3 . . 4.160 3.036 2.757 3.350 . 0 0 "[ . 1 . 2]" 2
101 1 23 ILE MG 1 38 LYS H . . 5.320 5.167 4.929 5.300 . 0 0 "[ . 1 . 2]" 2
102 1 44 ALA HA 1 46 HIS H . . 4.720 4.150 3.522 4.554 . 0 0 "[ . 1 . 2]" 2
103 1 46 HIS HB3 1 47 ILE H . . 4.360 3.813 3.638 4.269 . 0 0 "[ . 1 . 2]" 2
104 1 46 HIS HB2 1 47 ILE H . . 4.180 2.750 2.594 3.299 . 0 0 "[ . 1 . 2]" 2
105 1 48 LYS QB 1 49 GLN H . . 4.260 2.604 1.961 3.950 . 0 0 "[ . 1 . 2]" 2
106 1 49 GLN QB 1 50 TYR H . . 4.080 3.791 3.578 4.031 . 0 0 "[ . 1 . 2]" 2
107 1 51 LYS H 1 51 LYS HB3 . . 3.860 2.578 2.365 2.809 . 0 0 "[ . 1 . 2]" 2
108 1 51 LYS H 1 51 LYS HG3 . . 4.940 4.518 4.360 4.618 . 0 0 "[ . 1 . 2]" 2
109 1 50 TYR HB2 1 51 LYS H . . 5.260 3.821 3.644 3.972 . 0 0 "[ . 1 . 2]" 2
110 1 50 TYR HB3 1 51 LYS H . . 5.260 3.999 3.889 4.237 . 0 0 "[ . 1 . 2]" 2
111 1 7 GLY QA 1 8 GLN H . . 3.170 2.358 2.110 2.729 . 0 0 "[ . 1 . 2]" 2
112 1 15 SER H 1 16 TYR H . . 4.850 4.616 4.570 4.640 . 0 0 "[ . 1 . 2]" 2
113 1 28 CYS HB3 1 29 GLU H . . 5.070 3.988 3.721 4.330 . 0 0 "[ . 1 . 2]" 2
114 1 33 HIS H 1 33 HIS HB3 . . 4.150 3.711 3.626 3.805 . 0 0 "[ . 1 . 2]" 2
115 1 52 CYS HB2 1 54 SER H . . 4.240 2.998 2.761 3.157 . 0 0 "[ . 1 . 2]" 2
116 1 54 SER H 1 56 SER H . . 4.370 4.120 3.807 4.380 0.010 9 0 "[ . 1 . 2]" 2
117 1 52 CYS H 1 54 SER H . . 5.290 5.022 4.658 5.209 . 0 0 "[ . 1 . 2]" 2
118 1 11 ALA MB 1 13 GLY H . . 4.530 3.957 3.750 4.157 . 0 0 "[ . 1 . 2]" 2
119 1 14 GLU H 1 33 HIS HE1 . . 4.800 2.309 1.903 2.730 . 0 0 "[ . 1 . 2]" 2
120 1 35 LYS QB 1 36 CYS H . . 4.060 3.085 2.439 3.599 . 0 0 "[ . 1 . 2]" 2
121 1 25 CYS H 1 25 CYS HB2 . . 4.000 2.881 2.323 3.183 . 0 0 "[ . 1 . 2]" 2
122 1 25 CYS H 1 26 ASP H . . 5.040 4.479 4.111 4.642 . 0 0 "[ . 1 . 2]" 2
123 1 23 ILE MD 1 24 CYS H . . 4.560 2.522 2.006 3.749 . 0 0 "[ . 1 . 2]" 2
124 1 14 GLU H 1 14 GLU HB2 . . 3.280 2.248 2.182 2.366 . 0 0 "[ . 1 . 2]" 2
125 1 14 GLU H 1 14 GLU HG2 . . 3.860 3.307 2.674 3.877 0.017 6 0 "[ . 1 . 2]" 2
126 1 25 CYS HB2 1 30 MET H . . 4.930 3.745 3.312 4.705 . 0 0 "[ . 1 . 2]" 2
127 1 37 VAL HB 1 38 LYS H . . 4.650 4.392 4.196 4.482 . 0 0 "[ . 1 . 2]" 2
128 1 35 LYS HA 1 39 ILE H . . 4.130 3.048 2.790 3.629 . 0 0 "[ . 1 . 2]" 2
129 1 50 TYR H 1 50 TYR QD . . 4.570 4.103 4.004 4.180 . 0 0 "[ . 1 . 2]" 2
130 1 13 GLY H 1 14 GLU HB2 . . 4.960 4.460 4.177 4.735 . 0 0 "[ . 1 . 2]" 2
131 1 14 GLU HG2 1 15 SER H . . 4.760 3.952 3.385 4.458 . 0 0 "[ . 1 . 2]" 2
132 1 15 SER H 1 15 SER HB2 . . 3.500 2.574 2.189 3.529 0.029 7 0 "[ . 1 . 2]" 2
133 1 52 CYS H 1 52 CYS HB3 . . 3.530 2.236 2.172 2.474 . 0 0 "[ . 1 . 2]" 2
134 1 25 CYS HB2 1 52 CYS H . . 3.720 3.202 2.302 3.597 . 0 0 "[ . 1 . 2]" 2
135 1 52 CYS H 1 53 PRO HD3 . . 5.500 4.983 4.953 5.044 . 0 0 "[ . 1 . 2]" 2
136 1 51 LYS HA 1 52 CYS H . . 3.060 2.201 2.140 2.231 . 0 0 "[ . 1 . 2]" 2
137 1 51 LYS H 1 52 CYS H . . 5.080 4.166 4.076 4.370 . 0 0 "[ . 1 . 2]" 2
138 1 41 PRO HA 1 44 ALA H . . 4.980 3.862 3.573 4.094 . 0 0 "[ . 1 . 2]" 2
139 1 43 ARG HB3 1 44 ALA H . . 4.260 2.727 2.581 2.845 . 0 0 "[ . 1 . 2]" 2
140 1 43 ARG QG 1 44 ALA H . . 4.710 3.603 3.413 3.723 . 0 0 "[ . 1 . 2]" 2
141 1 15 SER HB3 1 16 TYR H . . 4.060 3.304 2.499 3.980 . 0 0 "[ . 1 . 2]" 2
142 1 16 TYR H 1 16 TYR QD . . 5.500 4.164 3.952 4.217 . 0 0 "[ . 1 . 2]" 2
143 1 56 SER H 1 57 ASN H . . 5.100 2.839 2.592 3.076 . 0 0 "[ . 1 . 2]" 2
144 1 55 CYS H 1 56 SER H . . 2.620 2.415 2.270 2.520 . 0 0 "[ . 1 . 2]" 2
145 1 23 ILE MG 1 34 GLY HA2 . . 3.480 1.945 1.857 2.259 . 0 0 "[ . 1 . 2]" 2
146 1 23 ILE MD 1 52 CYS H . . 4.610 3.887 3.048 4.447 . 0 0 "[ . 1 . 2]" 2
147 1 47 ILE MD 1 50 TYR QD . . 3.980 3.410 2.772 3.932 . 0 0 "[ . 1 . 2]" 2
148 1 44 ALA HA 1 47 ILE MD . . 3.620 2.393 2.025 3.541 . 0 0 "[ . 1 . 2]" 2
149 1 39 ILE MD 1 50 TYR QE . . 3.840 2.924 2.509 3.223 . 0 0 "[ . 1 . 2]" 2
150 1 39 ILE HA 1 39 ILE MD . . 3.890 3.798 3.742 3.828 . 0 0 "[ . 1 . 2]" 2
151 1 39 ILE HB 1 39 ILE MD . . 3.710 2.378 2.269 2.487 . 0 0 "[ . 1 . 2]" 2
152 1 32 PHE HB2 1 37 VAL MG1 . . 6.100 3.220 2.066 4.420 . 0 0 "[ . 1 . 2]" 2
153 1 43 ARG HA 1 43 ARG HD2 . . 4.910 4.606 4.488 4.748 . 0 0 "[ . 1 . 2]" 2
154 1 27 LEU HB2 1 55 CYS HB2 . . 4.620 3.633 3.092 4.183 . 0 0 "[ . 1 . 2]" 2
155 1 27 LEU HB2 1 55 CYS HB3 . . 4.620 3.520 3.185 3.994 . 0 0 "[ . 1 . 2]" 2
156 1 27 LEU HB3 1 55 CYS HB2 . . 4.660 4.080 3.013 4.691 0.031 15 0 "[ . 1 . 2]" 2
157 1 27 LEU HB3 1 55 CYS HB3 . . 4.660 3.559 3.291 3.965 . 0 0 "[ . 1 . 2]" 2
158 1 27 LEU HB3 1 28 CYS H . . 3.670 2.802 2.577 3.201 . 0 0 "[ . 1 . 2]" 2
159 1 23 ILE HB 1 23 ILE MD . . 3.330 2.221 2.086 2.558 . 0 0 "[ . 1 . 2]" 2
160 1 26 ASP H 1 26 ASP HB2 . . 3.780 2.890 2.219 3.635 . 0 0 "[ . 1 . 2]" 2
161 1 26 ASP H 1 26 ASP HB3 . . 3.780 2.868 2.237 3.616 . 0 0 "[ . 1 . 2]" 2
162 1 48 LYS QE 1 48 LYS HG2 . . 3.680 2.648 2.079 3.484 . 0 0 "[ . 1 . 2]" 2
163 1 58 LYS QE 1 58 LYS HG2 . . 3.890 2.624 2.091 3.464 . 0 0 "[ . 1 . 2]" 2
164 1 48 LYS QE 1 48 LYS HG3 . . 3.680 2.706 2.086 3.520 . 0 0 "[ . 1 . 2]" 2
165 1 58 LYS QE 1 58 LYS HG3 . . 3.890 2.707 2.181 3.508 . 0 0 "[ . 1 . 2]" 2
166 1 51 LYS HB2 1 51 LYS QE . . 3.790 3.053 1.969 3.952 0.162 20 0 "[ . 1 . 2]" 2
167 1 44 ALA HA 1 47 ILE HB . . 3.880 2.292 2.064 2.515 . 0 0 "[ . 1 . 2]" 2
168 1 47 ILE HB 1 47 ILE MD . . 3.420 2.405 2.240 3.221 . 0 0 "[ . 1 . 2]" 2
169 1 14 GLU HA 1 14 GLU HG3 . . 4.090 3.371 2.843 3.686 . 0 0 "[ . 1 . 2]" 2
170 1 40 THR HA 1 40 THR HB . . 2.860 2.547 2.477 2.651 . 0 0 "[ . 1 . 2]" 2
171 1 51 LYS HB2 1 51 LYS HD2 . . 3.720 2.603 2.233 3.359 . 0 0 "[ . 1 . 2]" 2
172 1 51 LYS HB2 1 51 LYS HD3 . . 3.720 3.368 2.055 3.779 0.059 5 0 "[ . 1 . 2]" 2
173 1 25 CYS HB3 1 32 PHE QE . . 3.890 3.479 1.998 3.905 0.015 16 0 "[ . 1 . 2]" 2
174 1 25 CYS HB3 1 30 MET HB2 . . 4.410 4.201 3.866 4.407 . 0 0 "[ . 1 . 2]" 2
175 1 25 CYS H 1 25 CYS HB3 . . 3.750 2.564 2.342 2.851 . 0 0 "[ . 1 . 2]" 2
176 1 24 CYS HA 1 25 CYS HB2 . . 4.650 4.527 4.282 4.730 0.080 14 0 "[ . 1 . 2]" 2
177 1 25 CYS HB2 1 52 CYS HB3 . . 3.380 2.248 1.991 2.914 . 0 0 "[ . 1 . 2]" 2
178 1 25 CYS HB2 1 32 PHE QE . . 3.530 3.027 1.996 3.528 . 0 0 "[ . 1 . 2]" 2
179 1 15 SER H 1 15 SER HB3 . . 3.500 2.866 2.229 3.571 0.071 15 0 "[ . 1 . 2]" 2
180 1 35 LYS QB 1 35 LYS QD . . 3.210 2.319 2.032 2.614 . 0 0 "[ . 1 . 2]" 2
181 1 23 ILE HG12 1 37 VAL HB . . 3.300 3.006 2.292 3.403 0.103 19 0 "[ . 1 . 2]" 2
182 1 14 GLU HB3 1 33 HIS HE1 . . 3.740 3.637 3.177 3.778 0.038 13 0 "[ . 1 . 2]" 2
183 1 14 GLU HB3 1 15 SER HA . . 4.790 4.517 4.380 4.650 . 0 0 "[ . 1 . 2]" 2
184 1 9 CYS H 1 9 CYS HB3 . . 3.910 2.359 2.258 2.470 . 0 0 "[ . 1 . 2]" 2
185 1 9 CYS H 1 9 CYS HB2 . . 3.910 2.768 2.586 3.206 . 0 0 "[ . 1 . 2]" 2
186 1 56 SER HA 1 56 SER HB2 . . 2.940 2.438 2.274 3.008 0.068 20 0 "[ . 1 . 2]" 2
187 1 52 CYS H 1 52 CYS HB2 . . 3.740 3.521 3.484 3.591 . 0 0 "[ . 1 . 2]" 2
188 1 45 GLU HB2 1 46 HIS H . . 4.410 2.776 2.458 3.984 . 0 0 "[ . 1 . 2]" 2
189 1 45 GLU H 1 45 GLU HB3 . . 4.100 3.446 2.568 3.600 . 0 0 "[ . 1 . 2]" 2
190 1 45 GLU HB3 1 46 HIS H . . 4.410 3.582 3.094 4.225 . 0 0 "[ . 1 . 2]" 2
191 1 27 LEU MD1 1 55 CYS HB3 . . 5.690 2.827 1.870 4.048 . 0 0 "[ . 1 . 2]" 2
192 1 27 LEU MD2 1 55 CYS HB3 . . 5.690 3.544 1.860 4.764 . 0 0 "[ . 1 . 2]" 2
193 1 47 ILE HA 1 47 ILE MG . . 3.430 2.436 2.310 2.483 . 0 0 "[ . 1 . 2]" 2
194 1 56 SER HA 1 56 SER HB3 . . 2.940 2.737 2.518 2.989 0.049 6 0 "[ . 1 . 2]" 2
195 1 51 LYS HD2 1 56 SER HA . . 4.280 3.713 2.597 4.463 0.183 20 0 "[ . 1 . 2]" 2
196 1 51 LYS HD3 1 56 SER HA . . 4.280 2.381 1.973 4.276 . 0 0 "[ . 1 . 2]" 2
197 1 23 ILE HA 1 23 ILE HG13 . . 3.710 3.587 3.465 3.653 . 0 0 "[ . 1 . 2]" 2
198 1 37 VAL HA 1 37 VAL MG1 . . 3.270 2.752 2.268 3.202 . 0 0 "[ . 1 . 2]" 2
199 1 37 VAL HA 1 37 VAL MG2 . . 3.270 2.703 2.097 3.203 . 0 0 "[ . 1 . 2]" 2
200 1 39 ILE HA 1 40 THR H . . 3.330 2.186 2.139 2.279 . 0 0 "[ . 1 . 2]" 2
201 1 39 ILE HA 1 39 ILE HG13 . . 3.880 2.856 2.722 3.057 . 0 0 "[ . 1 . 2]" 2
202 1 39 ILE HA 1 39 ILE HG12 . . 3.880 2.484 2.360 2.546 . 0 0 "[ . 1 . 2]" 2
203 1 39 ILE HG12 1 39 ILE MG . . 3.570 2.375 2.295 2.489 . 0 0 "[ . 1 . 2]" 2
204 1 47 ILE HA 1 47 ILE HG12 . . 4.090 2.594 2.505 3.014 . 0 0 "[ . 1 . 2]" 2
205 1 44 ALA HA 1 47 ILE HG12 . . 4.510 4.297 2.159 4.516 0.006 5 0 "[ . 1 . 2]" 2
206 1 47 ILE HA 1 47 ILE HG13 . . 4.090 2.985 2.856 3.757 . 0 0 "[ . 1 . 2]" 2
207 1 50 TYR HA 1 51 LYS H . . 3.010 2.269 2.176 2.287 . 0 0 "[ . 1 . 2]" 2
208 1 29 GLU HA 1 29 GLU QG . . 3.430 2.552 2.146 3.339 . 0 0 "[ . 1 . 2]" 2
209 1 45 GLU HA 1 45 GLU HG2 . . 4.050 2.865 2.370 3.883 . 0 0 "[ . 1 . 2]" 2
210 1 45 GLU HA 1 45 GLU HG3 . . 4.050 3.532 2.886 3.793 . 0 0 "[ . 1 . 2]" 2
211 1 43 ARG HA 1 46 HIS HB2 . . 4.230 3.893 3.554 4.013 . 0 0 "[ . 1 . 2]" 2
212 1 43 ARG HA 1 43 ARG QG . . 3.170 2.548 2.444 2.636 . 0 0 "[ . 1 . 2]" 2
213 1 27 LEU HA 1 27 LEU MD2 . . 3.860 2.709 2.193 3.574 . 0 0 "[ . 1 . 2]" 2
214 1 27 LEU MD2 1 51 LYS QE . . 4.250 3.188 1.882 4.229 . 0 0 "[ . 1 . 2]" 2
215 1 48 LYS HA 1 48 LYS HG2 . . 3.990 2.883 2.213 3.765 . 0 0 "[ . 1 . 2]" 2
216 1 48 LYS HA 1 48 LYS HG3 . . 3.990 3.143 2.211 4.169 0.179 14 0 "[ . 1 . 2]" 2
217 1 38 LYS HA 1 38 LYS QG . . 3.390 2.507 2.139 2.872 . 0 0 "[ . 1 . 2]" 2
218 1 27 LEU HA 1 27 LEU MD1 . . 3.860 3.689 3.210 3.881 0.021 8 0 "[ . 1 . 2]" 2
219 1 27 LEU MD1 1 51 LYS QE . . 4.250 2.065 1.777 3.105 . 0 0 "[ . 1 . 2]" 2
220 1 40 THR HA 1 40 THR MG . . 3.320 2.212 2.052 2.395 . 0 0 "[ . 1 . 2]" 2
221 1 37 VAL H 1 37 VAL MG1 . . 4.280 2.318 2.016 2.546 . 0 0 "[ . 1 . 2]" 2
222 1 37 VAL H 1 37 VAL MG2 . . 4.280 2.939 1.993 3.793 . 0 0 "[ . 1 . 2]" 2
223 1 11 ALA MB 1 32 PHE QD . . 3.560 3.369 3.042 3.565 0.005 11 0 "[ . 1 . 2]" 2
224 1 21 PHE HZ 1 44 ALA MB . . 3.390 1.992 1.813 2.367 . 0 0 "[ . 1 . 2]" 2
225 1 44 ALA MB 1 45 GLU H . . 4.000 2.653 2.556 2.753 . 0 0 "[ . 1 . 2]" 2
226 1 21 PHE QE 1 44 ALA MB . . 3.480 2.556 2.222 2.875 . 0 0 "[ . 1 . 2]" 2
227 1 18 ALA MB 1 19 ASP H . . 3.680 2.546 2.156 3.714 0.034 1 0 "[ . 1 . 2]" 2
228 1 23 ILE MG 1 37 VAL H . . 3.410 3.403 3.254 3.524 0.114 19 0 "[ . 1 . 2]" 2
229 1 23 ILE MG 1 37 VAL HB . . 3.540 3.133 2.036 3.651 0.111 19 0 "[ . 1 . 2]" 2
230 1 23 ILE MD 1 23 ILE MG . . 3.630 3.139 2.453 3.250 . 0 0 "[ . 1 . 2]" 2
231 1 39 ILE MG 1 44 ALA H . . 3.940 2.993 2.839 3.221 . 0 0 "[ . 1 . 2]" 2
232 1 21 PHE QE 1 39 ILE MG . . 3.510 2.325 1.992 2.829 . 0 0 "[ . 1 . 2]" 2
233 1 39 ILE HA 1 39 ILE MG . . 3.580 2.463 2.345 2.582 . 0 0 "[ . 1 . 2]" 2
234 1 34 GLY HA2 1 39 ILE MG . . 4.240 3.703 3.299 3.998 . 0 0 "[ . 1 . 2]" 2
235 1 39 ILE MG 1 47 ILE HB . . 3.940 3.847 3.478 3.956 0.016 6 0 "[ . 1 . 2]" 2
236 1 39 ILE MG 1 44 ALA MB . . 3.200 2.429 1.860 2.884 . 0 0 "[ . 1 . 2]" 2
237 1 39 ILE HG13 1 39 ILE MG . . 3.570 3.196 3.184 3.203 . 0 0 "[ . 1 . 2]" 2
238 1 37 VAL HB 1 53 PRO HD3 . . 4.270 3.134 2.031 4.268 . 0 0 "[ . 1 . 2]" 2
239 1 52 CYS HA 1 53 PRO HD3 . . 3.290 2.310 2.293 2.327 . 0 0 "[ . 1 . 2]" 2
240 1 40 THR HA 1 41 PRO HD3 . . 3.150 2.304 2.289 2.320 . 0 0 "[ . 1 . 2]" 2
241 1 40 THR HB 1 41 PRO HD3 . . 3.590 3.464 3.406 3.585 . 0 0 "[ . 1 . 2]" 2
242 1 52 CYS HB3 1 53 PRO HD2 . . 3.730 3.545 3.415 3.599 . 0 0 "[ . 1 . 2]" 2
243 1 52 CYS HA 1 53 PRO HD2 . . 3.440 2.428 2.387 2.468 . 0 0 "[ . 1 . 2]" 2
244 1 40 THR HA 1 41 PRO HD2 . . 3.150 2.408 2.368 2.449 . 0 0 "[ . 1 . 2]" 2
245 1 40 THR HB 1 41 PRO HD2 . . 3.590 2.015 1.947 2.164 . 0 0 "[ . 1 . 2]" 2
246 1 52 CYS HB2 1 53 PRO HD2 . . 3.460 1.953 1.894 2.000 . 0 0 "[ . 1 . 2]" 2
247 1 47 ILE MG 1 50 TYR HA . . 3.740 3.239 2.983 3.601 . 0 0 "[ . 1 . 2]" 2
248 1 60 GLY HA2 1 61 PRO QD . . 3.840 2.681 1.916 3.456 . 0 0 "[ . 1 . 2]" 2
249 1 60 GLY HA3 1 61 PRO QD . . 3.840 2.309 1.853 3.450 . 0 0 "[ . 1 . 2]" 2
250 1 12 CYS H 1 12 CYS HB2 . . 4.000 3.800 3.718 3.866 . 0 0 "[ . 1 . 2]" 2
251 1 8 GLN QB 1 13 GLY HA2 . . 4.580 3.133 2.026 4.116 . 0 0 "[ . 1 . 2]" 2
252 1 8 GLN HG2 1 13 GLY HA2 . . 5.500 3.324 1.999 5.197 . 0 0 "[ . 1 . 2]" 2
253 1 8 GLN HG3 1 13 GLY HA2 . . 5.500 3.823 2.386 5.218 . 0 0 "[ . 1 . 2]" 2
254 1 14 GLU HG3 1 33 HIS HE1 . . 5.500 3.740 3.082 4.337 . 0 0 "[ . 1 . 2]" 2
255 1 55 CYS HA 1 58 LYS QD . . 4.490 3.331 2.145 4.365 . 0 0 "[ . 1 . 2]" 2
256 1 17 ALA MB 1 19 ASP H . . 4.320 3.549 2.616 4.295 . 0 0 "[ . 1 . 2]" 2
257 1 17 ALA MB 1 18 ALA H . . 4.270 2.790 2.234 3.233 . 0 0 "[ . 1 . 2]" 2
258 1 17 ALA MB 1 20 GLU QB . . 3.830 2.469 1.930 3.764 . 0 0 "[ . 1 . 2]" 2
259 1 18 ALA MB 1 19 ASP HB2 . . 5.290 4.286 3.228 5.114 . 0 0 "[ . 1 . 2]" 2
260 1 18 ALA MB 1 19 ASP HB3 . . 5.290 4.613 3.583 5.234 . 0 0 "[ . 1 . 2]" 2
261 1 20 GLU QB 1 22 TRP HD1 . . 4.660 3.846 3.063 4.503 . 0 0 "[ . 1 . 2]" 2
262 1 17 ALA MB 1 20 GLU HG2 . . 5.330 3.192 2.124 5.189 . 0 0 "[ . 1 . 2]" 2
263 1 17 ALA MB 1 20 GLU HG3 . . 5.330 2.879 1.893 4.771 . 0 0 "[ . 1 . 2]" 2
264 1 27 LEU HG 1 51 LYS QE . . 4.310 4.016 3.492 4.352 0.042 13 0 "[ . 1 . 2]" 2
265 1 27 LEU HA 1 27 LEU HG . . 4.250 2.539 2.329 2.777 . 0 0 "[ . 1 . 2]" 2
266 1 27 LEU H 1 27 LEU HG . . 4.060 3.112 2.511 4.020 . 0 0 "[ . 1 . 2]" 2
267 1 25 CYS HB3 1 52 CYS H . . 4.790 4.521 3.856 4.793 0.003 10 0 "[ . 1 . 2]" 2
268 1 24 CYS HA 1 25 CYS HB3 . . 4.680 4.579 4.376 4.741 0.061 19 0 "[ . 1 . 2]" 2
269 1 27 LEU MD1 1 55 CYS HA . . 5.500 4.602 3.880 5.507 0.007 16 0 "[ . 1 . 2]" 2
270 1 27 LEU MD1 1 28 CYS H . . 5.350 3.893 3.696 4.097 . 0 0 "[ . 1 . 2]" 2
271 1 27 LEU MD2 1 55 CYS HA . . 5.500 5.081 3.711 5.540 0.040 19 0 "[ . 1 . 2]" 2
272 1 27 LEU MD2 1 28 CYS H . . 5.350 4.374 4.166 4.687 . 0 0 "[ . 1 . 2]" 2
273 1 27 LEU H 1 27 LEU MD2 . . 5.010 4.165 3.874 4.628 . 0 0 "[ . 1 . 2]" 2
274 1 32 PHE HB3 1 37 VAL MG2 . . 6.100 4.511 4.031 5.445 . 0 0 "[ . 1 . 2]" 2
275 1 35 LYS HA 1 35 LYS QD . . 4.550 3.457 1.969 4.478 . 0 0 "[ . 1 . 2]" 2
276 1 35 LYS HA 1 38 LYS HA . . 4.100 3.677 3.308 3.930 . 0 0 "[ . 1 . 2]" 2
277 1 35 LYS HA 1 38 LYS H . . 4.360 3.661 3.438 3.844 . 0 0 "[ . 1 . 2]" 2
278 1 11 ALA MB 1 36 CYS HA . . 4.340 3.623 3.443 3.815 . 0 0 "[ . 1 . 2]" 2
279 1 11 ALA MB 1 37 VAL MG1 . . 5.500 4.578 3.424 5.518 0.018 10 0 "[ . 1 . 2]" 2
280 1 36 CYS HB2 1 37 VAL MG1 . . 5.500 3.843 3.217 4.523 . 0 0 "[ . 1 . 2]" 2
281 1 36 CYS HB3 1 37 VAL MG1 . . 5.500 4.185 3.203 5.287 . 0 0 "[ . 1 . 2]" 2
282 1 37 VAL HA 1 38 LYS HB2 . . 5.090 4.135 3.923 4.334 . 0 0 "[ . 1 . 2]" 2
283 1 34 GLY HA2 1 39 ILE HB . . 4.170 2.920 2.563 3.401 . 0 0 "[ . 1 . 2]" 2
284 1 34 GLY HA3 1 39 ILE HB . . 4.510 3.919 3.474 4.344 . 0 0 "[ . 1 . 2]" 2
285 1 21 PHE QE 1 39 ILE HB . . 4.530 3.424 2.825 3.776 . 0 0 "[ . 1 . 2]" 2
286 1 39 ILE HB 1 40 THR H . . 5.090 4.172 3.928 4.459 . 0 0 "[ . 1 . 2]" 2
287 1 34 GLY HA3 1 39 ILE MG . . 4.350 3.978 3.448 4.362 0.012 11 0 "[ . 1 . 2]" 2
288 1 39 ILE MG 1 40 THR H . . 3.940 2.394 1.868 3.005 . 0 0 "[ . 1 . 2]" 2
289 1 39 ILE MG 1 43 ARG H . . 5.500 4.180 3.995 4.435 . 0 0 "[ . 1 . 2]" 2
290 1 39 ILE MD 1 44 ALA HA . . 4.310 4.079 3.732 4.314 0.004 1 0 "[ . 1 . 2]" 2
291 1 37 VAL H 1 39 ILE MD . . 5.500 5.134 4.943 5.406 . 0 0 "[ . 1 . 2]" 2
292 1 40 THR HA 1 41 PRO HG2 . . 4.900 4.520 4.487 4.554 . 0 0 "[ . 1 . 2]" 2
293 1 21 PHE QD 1 41 PRO HG2 . . 5.450 5.193 4.660 5.462 0.012 4 0 "[ . 1 . 2]" 2
294 1 41 PRO HG2 1 42 ALA HA . . 5.160 4.467 4.384 4.509 . 0 0 "[ . 1 . 2]" 2
295 1 42 ALA HA 1 45 GLU H . . 4.960 4.115 3.803 4.329 . 0 0 "[ . 1 . 2]" 2
296 1 43 ARG HA 1 46 HIS HD2 . . 4.490 2.631 2.009 4.090 . 0 0 "[ . 1 . 2]" 2
297 1 43 ARG HA 1 46 HIS HB3 . . 5.500 5.450 5.121 5.516 0.016 10 0 "[ . 1 . 2]" 2
298 1 42 ALA MB 1 43 ARG HA . . 4.780 3.805 3.660 3.950 . 0 0 "[ . 1 . 2]" 2
299 1 39 ILE MG 1 43 ARG HB2 . . 4.660 4.460 4.201 4.616 . 0 0 "[ . 1 . 2]" 2
300 1 42 ALA MB 1 43 ARG HB2 . . 4.160 4.026 3.891 4.160 0.000 1 0 "[ . 1 . 2]" 2
301 1 40 THR H 1 43 ARG HB2 . . 4.360 4.264 3.830 4.372 0.012 16 0 "[ . 1 . 2]" 2
302 1 39 ILE MG 1 43 ARG QG . . 4.320 3.566 3.210 3.863 . 0 0 "[ . 1 . 2]" 2
303 1 39 ILE MD 1 43 ARG QG . . 4.980 4.908 4.682 4.993 0.013 1 0 "[ . 1 . 2]" 2
304 1 43 ARG QG 1 47 ILE MD . . 4.180 2.419 2.088 2.819 . 0 0 "[ . 1 . 2]" 2
305 1 42 ALA MB 1 43 ARG QG . . 5.500 5.197 5.122 5.253 . 0 0 "[ . 1 . 2]" 2
306 1 40 THR H 1 43 ARG QG . . 5.460 4.741 4.336 5.014 . 0 0 "[ . 1 . 2]" 2
307 1 43 ARG H 1 43 ARG QG . . 4.910 3.969 3.948 3.990 . 0 0 "[ . 1 . 2]" 2
308 1 43 ARG QG 1 47 ILE H . . 5.280 3.576 3.393 4.155 . 0 0 "[ . 1 . 2]" 2
309 1 39 ILE MG 1 43 ARG HD2 . . 5.330 3.465 2.613 4.001 . 0 0 "[ . 1 . 2]" 2
310 1 39 ILE MD 1 43 ARG HD2 . . 5.500 5.092 4.403 5.515 0.015 6 0 "[ . 1 . 2]" 2
311 1 43 ARG HD2 1 47 ILE MD . . 5.390 3.108 1.972 3.845 . 0 0 "[ . 1 . 2]" 2
312 1 39 ILE MG 1 43 ARG HD3 . . 5.330 3.677 2.386 4.555 . 0 0 "[ . 1 . 2]" 2
313 1 39 ILE MD 1 43 ARG HD3 . . 5.500 4.777 3.851 5.501 0.001 9 0 "[ . 1 . 2]" 2
314 1 43 ARG HD3 1 47 ILE MD . . 5.390 2.435 1.927 3.248 . 0 0 "[ . 1 . 2]" 2
315 1 39 ILE MG 1 44 ALA HA . . 4.030 2.854 2.626 3.077 . 0 0 "[ . 1 . 2]" 2
316 1 44 ALA HA 1 47 ILE H . . 4.990 3.068 2.816 3.322 . 0 0 "[ . 1 . 2]" 2
317 1 44 ALA MB 1 45 GLU HA . . 4.840 3.762 3.654 3.844 . 0 0 "[ . 1 . 2]" 2
318 1 45 GLU HB2 1 46 HIS HD2 . . 5.160 3.080 2.010 4.894 . 0 0 "[ . 1 . 2]" 2
319 1 45 GLU H 1 45 GLU HG3 . . 4.520 3.018 1.892 3.913 . 0 0 "[ . 1 . 2]" 2
320 1 46 HIS HB2 1 47 ILE MG . . 5.500 5.497 5.426 5.527 0.027 14 0 "[ . 1 . 2]" 2
321 1 44 ALA HA 1 47 ILE MG . . 5.060 3.733 3.517 3.944 . 0 0 "[ . 1 . 2]" 2
322 1 21 PHE HZ 1 47 ILE MG . . 5.500 5.327 4.937 5.518 0.018 19 0 "[ . 1 . 2]" 2
323 1 47 ILE MD 1 50 TYR HA . . 4.950 4.857 4.644 4.985 0.035 10 0 "[ . 1 . 2]" 2
324 1 47 ILE H 1 47 ILE MD . . 4.880 3.514 3.163 3.784 . 0 0 "[ . 1 . 2]" 2
325 1 48 LYS HA 1 48 LYS QD . . 4.440 3.342 1.986 4.451 0.011 5 0 "[ . 1 . 2]" 2
326 1 58 LYS HA 1 58 LYS QD . . 4.970 4.074 2.477 4.388 . 0 0 "[ . 1 . 2]" 2
327 1 25 CYS HB2 1 51 LYS HA . . 5.140 4.802 3.896 5.181 0.041 8 0 "[ . 1 . 2]" 2
328 1 51 LYS HA 1 51 LYS QE . . 5.410 4.177 3.674 4.921 . 0 0 "[ . 1 . 2]" 2
329 1 51 LYS HB3 1 51 LYS QE . . 4.100 3.662 2.981 4.158 0.058 16 0 "[ . 1 . 2]" 2
330 1 53 PRO HA 1 56 SER H . . 5.000 3.818 3.515 4.197 . 0 0 "[ . 1 . 2]" 2
331 1 54 SER HA 1 57 ASN HB3 . . 4.780 4.117 3.513 4.812 0.032 7 0 "[ . 1 . 2]" 2
332 1 51 LYS QE 1 56 SER HA . . 4.370 3.078 1.920 4.186 . 0 0 "[ . 1 . 2]" 2
333 1 57 ASN HB2 1 58 LYS H . . 5.450 3.884 2.460 4.603 . 0 0 "[ . 1 . 2]" 2
334 1 57 ASN HB3 1 58 LYS H . . 5.450 3.033 1.918 4.553 . 0 0 "[ . 1 . 2]" 2
335 1 8 GLN QB 1 9 CYS H . . 4.200 3.016 1.979 3.983 . 0 0 "[ . 1 . 2]" 2
336 1 8 GLN QB 1 13 GLY HA3 . . 4.580 3.601 2.481 4.502 . 0 0 "[ . 1 . 2]" 2
337 1 27 LEU HB2 1 28 CYS HB3 . . 5.500 4.585 3.973 5.544 0.044 6 0 "[ . 1 . 2]" 2
338 1 27 LEU HB3 1 28 CYS HB3 . . 5.500 4.390 3.779 5.529 0.029 11 0 "[ . 1 . 2]" 2
339 1 30 MET HB2 1 32 PHE QE . . 4.180 2.729 2.015 3.547 . 0 0 "[ . 1 . 2]" 2
340 1 30 MET HB2 1 31 TRP H . . 4.620 3.532 3.289 3.999 . 0 0 "[ . 1 . 2]" 2
341 1 21 PHE QE 1 34 GLY HA2 . . 4.060 2.963 2.561 3.285 . 0 0 "[ . 1 . 2]" 2
342 1 34 GLY HA2 1 37 VAL H . . 4.680 3.667 3.472 3.868 . 0 0 "[ . 1 . 2]" 2
343 1 11 ALA MB 1 37 VAL MG2 . . 5.500 5.281 4.988 5.514 0.014 6 0 "[ . 1 . 2]" 2
344 1 43 ARG HA 1 43 ARG HD3 . . 4.910 4.854 4.673 4.964 0.054 17 0 "[ . 1 . 2]" 2
345 1 39 ILE HA 1 43 ARG HD3 . . 5.500 4.735 3.303 5.487 . 0 0 "[ . 1 . 2]" 2
346 1 42 ALA HA 1 45 GLU HG2 . . 4.550 3.904 2.600 4.565 0.015 16 0 "[ . 1 . 2]" 2
347 1 45 GLU H 1 45 GLU HG2 . . 4.520 2.590 1.960 3.382 . 0 0 "[ . 1 . 2]" 2
348 1 46 HIS HB3 1 47 ILE HA . . 4.980 4.538 4.401 4.852 . 0 0 "[ . 1 . 2]" 2
349 1 37 VAL HB 1 53 PRO HD2 . . 4.720 3.713 2.818 4.332 . 0 0 "[ . 1 . 2]" 2
350 1 23 ILE MG 1 39 ILE HB . . 4.360 3.064 2.584 3.786 . 0 0 "[ . 1 . 2]" 2
351 1 23 ILE MG 1 39 ILE H . . 4.700 4.524 4.297 4.712 0.012 5 0 "[ . 1 . 2]" 2
352 1 30 MET HB3 1 31 TRP HA . . 4.500 4.315 4.234 4.535 0.035 4 0 "[ . 1 . 2]" 2
353 1 30 MET HB3 1 32 PHE HZ . . 5.030 3.129 2.252 3.754 . 0 0 "[ . 1 . 2]" 2
354 1 26 ASP HA 1 49 GLN QB . . 5.090 4.830 3.988 5.114 0.024 7 0 "[ . 1 . 2]" 2
355 1 50 TYR QE 1 52 CYS HB3 . . 4.630 4.353 3.994 4.582 . 0 0 "[ . 1 . 2]" 2
356 1 50 TYR QE 1 52 CYS HB2 . . 4.720 4.080 3.732 4.307 . 0 0 "[ . 1 . 2]" 2
357 1 50 TYR QE 1 52 CYS HA . . 4.370 2.017 1.970 2.149 . 0 0 "[ . 1 . 2]" 2
358 1 39 ILE MD 1 50 TYR QD . . 3.880 2.564 2.319 2.888 . 0 0 "[ . 1 . 2]" 2
359 1 47 ILE MG 1 50 TYR QD . . 4.050 3.257 2.789 3.568 . 0 0 "[ . 1 . 2]" 2
360 1 50 TYR HA 1 50 TYR QD . . 3.560 2.894 2.661 3.137 . 0 0 "[ . 1 . 2]" 2
361 1 16 TYR QE 1 18 ALA MB . . 4.760 3.898 3.069 4.642 . 0 0 "[ . 1 . 2]" 2
362 1 16 TYR HA 1 16 TYR QE . . 4.670 4.576 4.404 4.664 . 0 0 "[ . 1 . 2]" 2
363 1 14 GLU HB2 1 33 HIS HE1 . . 3.500 2.039 1.993 2.311 . 0 0 "[ . 1 . 2]" 2
364 1 30 MET HA 1 31 TRP HD1 . . 4.940 3.841 2.735 4.915 . 0 0 "[ . 1 . 2]" 2
365 1 30 MET HB2 1 32 PHE HZ . . 4.350 2.471 2.104 3.174 . 0 0 "[ . 1 . 2]" 2
366 1 30 MET HB3 1 32 PHE QE . . 4.240 2.980 2.345 3.504 . 0 0 "[ . 1 . 2]" 2
367 1 32 PHE QE 1 52 CYS HB2 . . 4.530 2.667 1.997 3.491 . 0 0 "[ . 1 . 2]" 2
368 1 11 ALA H 1 32 PHE QE . . 4.740 3.459 2.957 3.774 . 0 0 "[ . 1 . 2]" 2
369 1 23 ILE HG12 1 32 PHE QD . . 4.810 3.152 2.456 4.035 . 0 0 "[ . 1 . 2]" 2
370 1 32 PHE QD 1 50 TYR QE . . 5.500 5.480 5.293 5.542 0.042 15 0 "[ . 1 . 2]" 2
371 1 21 PHE QE 1 34 GLY HA3 . . 4.780 2.525 2.003 3.129 . 0 0 "[ . 1 . 2]" 2
372 1 21 PHE HA 1 21 PHE QE . . 4.940 4.808 4.727 4.870 . 0 0 "[ . 1 . 2]" 2
373 1 8 GLN HA 1 22 TRP HH2 . . 4.850 4.377 3.697 4.862 0.012 15 0 "[ . 1 . 2]" 2
374 1 23 ILE HG13 1 24 CYS H . . 4.450 4.042 3.647 4.256 . 0 0 "[ . 1 . 2]" 2
375 1 23 ILE HG13 1 25 CYS HB2 . . 5.440 4.874 4.191 5.435 . 0 0 "[ . 1 . 2]" 2
376 1 23 ILE HG13 1 52 CYS HB2 . . 5.500 5.167 4.775 5.507 0.007 13 0 "[ . 1 . 2]" 2
377 1 18 ALA MB 1 19 ASP HA . . 4.290 3.859 3.645 4.221 . 0 0 "[ . 1 . 2]" 2
378 1 39 ILE MG 1 43 ARG HB3 . . 4.210 2.954 2.736 3.137 . 0 0 "[ . 1 . 2]" 2
379 1 40 THR MG 1 43 ARG HB3 . . 4.820 4.292 4.025 4.611 . 0 0 "[ . 1 . 2]" 2
380 1 42 ALA MB 1 43 ARG HB3 . . 5.500 4.512 4.376 4.759 . 0 0 "[ . 1 . 2]" 2
381 1 39 ILE HA 1 43 ARG HB3 . . 5.080 4.447 4.140 4.584 . 0 0 "[ . 1 . 2]" 2
382 1 40 THR HB 1 43 ARG HB3 . . 5.460 4.345 3.949 4.589 . 0 0 "[ . 1 . 2]" 2
383 1 45 GLU HB3 1 46 HIS HD2 . . 5.160 4.155 2.740 5.081 . 0 0 "[ . 1 . 2]" 2
384 1 44 ALA HA 1 47 ILE HG13 . . 4.510 3.097 2.043 3.311 . 0 0 "[ . 1 . 2]" 2
385 1 47 ILE HA 1 47 ILE MD . . 4.620 3.766 2.251 3.891 . 0 0 "[ . 1 . 2]" 2
386 1 48 LYS QB 1 48 LYS QD . . 3.190 2.218 2.018 2.560 . 0 0 "[ . 1 . 2]" 2
387 1 39 ILE MD 1 50 TYR HB2 . . 5.500 2.986 2.567 3.731 . 0 0 "[ . 1 . 2]" 2
388 1 39 ILE MD 1 50 TYR HB3 . . 5.500 3.104 2.813 3.418 . 0 0 "[ . 1 . 2]" 2
389 1 51 LYS H 1 51 LYS HG2 . . 4.940 4.483 4.245 4.686 . 0 0 "[ . 1 . 2]" 2
390 1 27 LEU HB3 1 51 LYS QE . . 5.500 5.011 4.277 5.492 . 0 0 "[ . 1 . 2]" 2
391 1 37 VAL HA 1 53 PRO HG3 . . 5.070 2.537 2.000 3.050 . 0 0 "[ . 1 . 2]" 2
392 1 32 PHE QD 1 52 CYS HA . . 5.180 4.402 3.928 5.147 . 0 0 "[ . 1 . 2]" 2
393 1 32 PHE HB2 1 37 VAL MG2 . . 6.100 4.139 3.793 4.759 . 0 0 "[ . 1 . 2]" 2
394 1 30 MET H 1 30 MET HG2 . . 4.770 3.866 2.854 4.750 . 0 0 "[ . 1 . 2]" 2
395 1 30 MET H 1 30 MET HG3 . . 4.770 3.636 2.806 4.583 . 0 0 "[ . 1 . 2]" 2
396 1 25 CYS HB3 1 29 GLU HA . . 5.070 2.656 1.992 4.223 . 0 0 "[ . 1 . 2]" 2
397 1 28 CYS HB2 1 29 GLU H . . 5.070 3.555 2.497 4.218 . 0 0 "[ . 1 . 2]" 2
398 1 23 ILE HG12 1 24 CYS H . . 4.860 4.682 4.543 4.839 . 0 0 "[ . 1 . 2]" 2
399 1 41 PRO HA 1 44 ALA MB . . 4.120 2.800 2.481 3.060 . 0 0 "[ . 1 . 2]" 2
400 1 21 PHE HZ 1 41 PRO HA . . 5.120 4.251 3.743 5.106 . 0 0 "[ . 1 . 2]" 2
401 1 8 GLN HG2 1 13 GLY HA3 . . 5.500 3.601 2.007 5.510 0.010 13 0 "[ . 1 . 2]" 2
402 1 8 GLN HG3 1 13 GLY HA3 . . 5.500 3.956 2.376 5.537 0.037 13 0 "[ . 1 . 2]" 2
403 1 14 GLU HG2 1 33 HIS HE1 . . 5.500 4.307 3.363 5.280 . 0 0 "[ . 1 . 2]" 2
404 1 17 ALA MB 1 20 GLU H . . 5.500 3.596 2.467 4.741 . 0 0 "[ . 1 . 2]" 2
405 1 17 ALA MB 1 18 ALA HA . . 5.500 4.196 4.007 4.348 . 0 0 "[ . 1 . 2]" 2
406 1 21 PHE HZ 1 39 ILE MG . . 4.990 2.989 2.315 3.577 . 0 0 "[ . 1 . 2]" 2
407 1 38 LYS HA 1 39 ILE HA . . 4.690 4.386 4.364 4.472 . 0 0 "[ . 1 . 2]" 2
408 1 23 ILE MD 1 52 CYS HB3 . . 4.550 3.050 2.532 4.421 . 0 0 "[ . 1 . 2]" 2
409 1 23 ILE MD 1 34 GLY HA2 . . 5.420 5.296 4.307 5.443 0.023 8 0 "[ . 1 . 2]" 2
410 1 23 ILE MD 1 25 CYS HA . . 5.130 3.268 2.627 3.982 . 0 0 "[ . 1 . 2]" 2
411 1 23 ILE MD 1 50 TYR QE . . 5.260 4.023 3.324 4.517 . 0 0 "[ . 1 . 2]" 2
412 1 23 ILE MD 1 50 TYR QD . . 5.500 2.878 1.975 3.363 . 0 0 "[ . 1 . 2]" 2
413 1 23 ILE MD 1 32 PHE QD . . 4.350 2.432 1.908 3.730 . 0 0 "[ . 1 . 2]" 2
414 1 23 ILE HB 1 24 CYS H . . 4.780 2.871 2.451 4.152 . 0 0 "[ . 1 . 2]" 2
415 1 27 LEU HG 1 28 CYS H . . 5.320 4.555 4.411 4.702 . 0 0 "[ . 1 . 2]" 2
416 1 30 MET HB3 1 30 MET ME . . 4.110 2.932 2.043 4.076 . 0 0 "[ . 1 . 2]" 2
417 1 21 PHE QE 1 41 PRO HA . . 5.170 3.174 2.763 3.746 . 0 0 "[ . 1 . 2]" 2
418 1 23 ILE MG 1 34 GLY HA3 . . 4.440 3.060 2.885 3.392 . 0 0 "[ . 1 . 2]" 2
419 1 21 PHE QD 1 34 GLY HA3 . . 3.950 2.422 2.018 2.797 . 0 0 "[ . 1 . 2]" 2
420 1 37 VAL HA 1 38 LYS QG . . 4.630 3.966 3.588 4.466 . 0 0 "[ . 1 . 2]" 2
421 1 39 ILE HG12 1 40 THR H . . 5.390 4.117 3.844 4.426 . 0 0 "[ . 1 . 2]" 2
422 1 39 ILE HG13 1 40 THR H . . 5.390 4.869 4.671 5.104 . 0 0 "[ . 1 . 2]" 2
423 1 40 THR HB 1 41 PRO HG2 . . 4.450 3.732 3.675 3.788 . 0 0 "[ . 1 . 2]" 2
424 1 21 PHE QD 1 41 PRO HD3 . . 5.380 3.400 2.456 3.964 . 0 0 "[ . 1 . 2]" 2
425 1 37 VAL MG2 1 53 PRO HD2 . . 5.280 3.732 2.151 5.283 0.003 4 0 "[ . 1 . 2]" 2
426 1 37 VAL MG1 1 53 PRO HD2 . . 5.280 3.836 2.407 5.240 . 0 0 "[ . 1 . 2]" 2
427 1 32 PHE QE 1 53 PRO HD2 . . 5.500 4.258 3.479 5.232 . 0 0 "[ . 1 . 2]" 2
428 1 21 PHE QD 1 41 PRO HD2 . . 5.380 4.886 4.148 5.301 . 0 0 "[ . 1 . 2]" 2
429 1 60 GLY HA2 1 61 PRO QG . . 5.500 4.551 3.825 5.224 . 0 0 "[ . 1 . 2]" 2
430 1 60 GLY HA3 1 61 PRO QG . . 5.500 4.158 3.767 5.182 . 0 0 "[ . 1 . 2]" 2
431 1 37 VAL HA 1 53 PRO HG2 . . 5.070 3.983 3.142 4.456 . 0 0 "[ . 1 . 2]" 2
432 1 37 VAL MG1 1 53 PRO HD3 . . 4.860 3.671 2.485 4.604 . 0 0 "[ . 1 . 2]" 2
433 1 37 VAL MG2 1 53 PRO HD3 . . 4.860 3.077 1.762 4.727 . 0 0 "[ . 1 . 2]" 2
434 1 52 CYS HB2 1 53 PRO HD3 . . 3.860 3.341 3.276 3.409 . 0 0 "[ . 1 . 2]" 2
435 1 39 ILE MG 1 43 ARG HA . . 5.500 5.163 4.981 5.314 . 0 0 "[ . 1 . 2]" 2
436 1 42 ALA HA 1 45 GLU HG3 . . 4.550 3.831 3.055 4.560 0.010 10 0 "[ . 1 . 2]" 2
437 1 25 CYS HB3 1 52 CYS HB3 . . 4.190 3.654 2.982 4.185 . 0 0 "[ . 1 . 2]" 2
438 1 32 PHE QE 1 52 CYS HB3 . . 4.240 2.608 2.002 3.148 . 0 0 "[ . 1 . 2]" 2
439 1 52 CYS HB2 1 53 PRO HA . . 5.310 5.189 5.036 5.260 . 0 0 "[ . 1 . 2]" 2
440 1 23 ILE HG12 1 52 CYS HA . . 5.500 4.649 3.985 5.513 0.013 17 0 "[ . 1 . 2]" 2
441 1 27 LEU HB2 1 28 CYS HB2 . . 5.500 5.305 4.798 5.639 0.139 19 0 "[ . 1 . 2]" 2
442 1 27 LEU HB3 1 28 CYS HB2 . . 5.500 5.360 5.245 5.528 0.028 4 0 "[ . 1 . 2]" 2
443 1 32 PHE HA 1 33 HIS HA . . 4.490 4.404 4.346 4.442 . 0 0 "[ . 1 . 2]" 2
444 1 32 PHE HA 1 32 PHE QD . . 3.890 2.380 2.133 2.769 . 0 0 "[ . 1 . 2]" 2
445 1 32 PHE HA 1 33 HIS H . . 3.350 2.590 2.517 2.659 . 0 0 "[ . 1 . 2]" 2
446 1 39 ILE MD 1 40 THR H . . 5.500 4.938 4.693 5.326 . 0 0 "[ . 1 . 2]" 2
447 1 39 ILE MD 1 47 ILE HB . . 4.780 3.978 3.597 4.193 . 0 0 "[ . 1 . 2]" 2
448 1 39 ILE H 1 40 THR MG . . 5.500 4.927 4.581 5.186 . 0 0 "[ . 1 . 2]" 2
449 1 40 THR MG 1 44 ALA H . . 5.500 5.480 5.356 5.541 0.041 8 0 "[ . 1 . 2]" 2
450 1 43 ARG QG 1 44 ALA HA . . 5.500 3.630 3.433 3.827 . 0 0 "[ . 1 . 2]" 2
451 1 39 ILE HA 1 43 ARG QG . . 5.500 5.368 4.997 5.544 0.044 16 0 "[ . 1 . 2]" 2
452 1 39 ILE HA 1 43 ARG HD2 . . 5.500 4.040 3.628 4.528 . 0 0 "[ . 1 . 2]" 2
453 1 47 ILE HA 1 49 GLN H . . 5.500 4.585 3.772 5.617 0.117 10 0 "[ . 1 . 2]" 2
454 1 47 ILE MG 1 49 GLN H . . 5.500 3.113 2.398 3.546 . 0 0 "[ . 1 . 2]" 2
455 1 47 ILE MG 1 50 TYR H . . 5.340 2.818 2.429 3.138 . 0 0 "[ . 1 . 2]" 2
456 1 44 ALA MB 1 47 ILE MD . . 4.720 3.484 3.090 4.567 . 0 0 "[ . 1 . 2]" 2
457 1 52 CYS HA 1 54 SER H . . 5.410 3.934 3.848 4.046 . 0 0 "[ . 1 . 2]" 2
458 1 51 LYS HA 1 52 CYS HB3 . . 5.500 4.392 4.318 4.499 . 0 0 "[ . 1 . 2]" 2
459 1 51 LYS HB2 1 56 SER HA . . 5.500 5.413 4.648 5.581 0.081 8 0 "[ . 1 . 2]" 2
460 1 51 LYS HB2 1 56 SER H . . 5.500 5.414 5.123 5.562 0.062 19 0 "[ . 1 . 2]" 2
461 1 51 LYS HB3 1 56 SER HA . . 5.500 4.726 3.447 5.268 . 0 0 "[ . 1 . 2]" 2
462 1 10 GLY HA3 1 11 ALA MB . . 5.260 4.452 4.420 4.482 . 0 0 "[ . 1 . 2]" 2
463 1 10 GLY HA3 1 32 PHE QE . . 4.260 2.439 1.992 2.892 . 0 0 "[ . 1 . 2]" 2
464 1 10 GLY HA2 1 11 ALA MB . . 5.260 4.996 4.981 5.010 . 0 0 "[ . 1 . 2]" 2
465 1 10 GLY HA2 1 30 MET ME . . 4.610 4.062 3.021 4.626 0.016 18 0 "[ . 1 . 2]" 2
466 1 10 GLY HA2 1 32 PHE QE . . 4.260 3.932 3.487 4.272 0.012 8 0 "[ . 1 . 2]" 2
467 1 11 ALA MB 1 12 CYS HA . . 4.880 3.991 3.904 4.062 . 0 0 "[ . 1 . 2]" 2
468 1 14 GLU HA 1 14 GLU HG2 . . 4.090 2.434 2.166 2.806 . 0 0 "[ . 1 . 2]" 2
469 1 44 ALA MB 1 47 ILE HB . . 4.830 3.575 3.433 3.752 . 0 0 "[ . 1 . 2]" 2
470 1 16 TYR QD 1 17 ALA HA . . 5.060 4.159 2.826 4.826 . 0 0 "[ . 1 . 2]" 2
471 1 16 TYR QE 1 18 ALA HA . . 4.750 4.127 3.066 4.728 . 0 0 "[ . 1 . 2]" 2
472 1 18 ALA HA 1 20 GLU H . . 4.900 4.441 3.648 4.909 0.009 10 0 "[ . 1 . 2]" 2
473 1 18 ALA HA 1 19 ASP HA . . 5.140 4.651 4.394 4.865 . 0 0 "[ . 1 . 2]" 2
474 1 21 PHE QD 1 34 GLY HA2 . . 4.580 3.881 3.522 4.168 . 0 0 "[ . 1 . 2]" 2
475 1 23 ILE HG12 1 25 CYS HB2 . . 5.500 5.161 4.756 5.519 0.019 15 0 "[ . 1 . 2]" 2
476 1 23 ILE HG12 1 52 CYS HB2 . . 5.500 4.617 4.040 5.500 . 5 0 "[ . 1 . 2]" 2
477 1 25 CYS HB2 1 29 GLU H . . 5.500 3.851 3.491 4.548 . 0 0 "[ . 1 . 2]" 2
478 1 54 SER HA 1 57 ASN HB2 . . 4.780 4.106 3.319 4.876 0.096 20 0 "[ . 1 . 2]" 2
479 1 27 LEU H 1 27 LEU MD1 . . 5.010 3.146 1.951 3.986 . 0 0 "[ . 1 . 2]" 2
480 1 36 CYS HB2 1 37 VAL MG2 . . 5.500 4.829 4.081 5.549 0.049 16 0 "[ . 1 . 2]" 2
481 1 36 CYS HB3 1 37 VAL MG2 . . 5.500 5.081 4.625 5.433 . 0 0 "[ . 1 . 2]" 2
482 1 38 LYS HA 1 38 LYS HD2 . . 5.220 3.763 2.039 4.819 . 0 0 "[ . 1 . 2]" 2
483 1 38 LYS HA 1 38 LYS HD3 . . 5.220 3.626 2.029 4.640 . 0 0 "[ . 1 . 2]" 2
484 1 37 VAL H 1 38 LYS HA . . 5.100 4.843 4.703 4.879 . 0 0 "[ . 1 . 2]" 2
485 1 38 LYS HB2 1 39 ILE H . . 5.500 4.312 4.128 4.403 . 0 0 "[ . 1 . 2]" 2
486 1 14 GLU HG3 1 15 SER H . . 4.760 4.532 4.221 4.694 . 0 0 "[ . 1 . 2]" 2
487 1 21 PHE QD 1 41 PRO HG3 . . 4.940 4.344 3.722 4.822 . 0 0 "[ . 1 . 2]" 2
488 1 21 PHE QD 1 39 ILE MG . . 5.010 4.288 3.968 4.601 . 0 0 "[ . 1 . 2]" 2
489 1 21 PHE HA 1 21 PHE QD . . 4.300 2.608 2.528 2.765 . 0 0 "[ . 1 . 2]" 2
490 1 10 GLY HA3 1 30 MET ME . . 4.610 3.491 2.633 4.258 . 0 0 "[ . 1 . 2]" 2
491 1 51 LYS QE 1 56 SER HB2 . . 4.820 4.271 3.346 4.856 0.036 5 0 "[ . 1 . 2]" 2
492 1 51 LYS HB3 1 56 SER HB2 . . 4.440 3.750 2.807 4.402 . 0 0 "[ . 1 . 2]" 2
493 1 51 LYS QE 1 56 SER HB3 . . 4.820 4.471 3.578 4.924 0.104 8 0 "[ . 1 . 2]" 2
494 1 51 LYS HB3 1 56 SER HB3 . . 4.440 3.816 2.225 4.498 0.058 9 0 "[ . 1 . 2]" 2
495 1 8 GLN H 1 8 GLN QG . . 4.350 3.447 2.193 4.218 . 0 0 "[ . 1 . 2]" 2
496 1 8 GLN HA 1 8 GLN QG . . 3.730 2.623 2.145 3.514 . 0 0 "[ . 1 . 2]" 2
497 1 8 GLN QB 1 13 GLY QA . . 3.790 2.930 1.940 3.795 0.005 7 0 "[ . 1 . 2]" 2
498 1 8 GLN QE 1 13 GLY QA . . 4.310 3.148 1.934 4.112 . 0 0 "[ . 1 . 2]" 2
499 1 9 CYS H 1 9 CYS QB . . 3.180 2.228 2.178 2.358 . 0 0 "[ . 1 . 2]" 2
500 1 9 CYS QB 1 11 ALA MB . . 5.280 4.028 3.784 4.386 . 0 0 "[ . 1 . 2]" 2
501 1 9 CYS QB 1 12 CYS H . . 3.850 3.205 3.057 3.528 . 0 0 "[ . 1 . 2]" 2
502 1 9 CYS QB 1 13 GLY H . . 3.600 2.002 1.907 2.239 . 0 0 "[ . 1 . 2]" 2
503 1 9 CYS QB 1 13 GLY QA . . 4.840 2.331 1.977 2.888 . 0 0 "[ . 1 . 2]" 2
504 1 9 CYS QB 1 14 GLU H . . 3.650 2.572 2.112 3.090 . 0 0 "[ . 1 . 2]" 2
505 1 9 CYS QB 1 22 TRP HH2 . . 4.130 3.720 3.249 4.133 0.003 18 0 "[ . 1 . 2]" 2
506 1 9 CYS QB 1 33 HIS HE1 . . 3.480 2.553 1.952 3.106 . 0 0 "[ . 1 . 2]" 2
507 1 10 GLY QA 1 30 MET HB3 . . 5.340 5.114 4.338 5.360 0.020 1 0 "[ . 1 . 2]" 2
508 1 10 GLY QA 1 30 MET ME . . 4.060 3.282 2.478 3.914 . 0 0 "[ . 1 . 2]" 2
509 1 11 ALA H 1 36 CYS QB . . 4.750 4.283 4.006 4.461 . 0 0 "[ . 1 . 2]" 2
510 1 11 ALA MB 1 12 CYS QB . . 4.560 3.265 3.181 3.379 . 0 0 "[ . 1 . 2]" 2
511 1 11 ALA MB 1 13 GLY QA . . 5.340 5.200 5.046 5.328 . 0 0 "[ . 1 . 2]" 2
512 1 11 ALA MB 1 36 CYS QB . . 2.860 2.023 1.873 2.164 . 0 0 "[ . 1 . 2]" 2
513 1 11 ALA MB 1 37 VAL QG . . 4.720 4.169 3.380 4.741 0.021 8 0 "[ . 1 . 2]" 2
514 1 12 CYS H 1 12 CYS QB . . 3.300 2.918 2.781 3.032 . 0 0 "[ . 1 . 2]" 2
515 1 12 CYS H 1 13 GLY QA . . 4.550 3.814 3.702 3.926 . 0 0 "[ . 1 . 2]" 2
516 1 12 CYS H 1 14 GLU QG . . 5.340 5.262 5.058 5.359 0.019 11 0 "[ . 1 . 2]" 2
517 1 12 CYS QB 1 14 GLU H . . 5.340 4.076 3.679 4.930 . 0 0 "[ . 1 . 2]" 2
518 1 12 CYS QB 1 14 GLU QG . . 4.420 3.101 2.724 3.469 . 0 0 "[ . 1 . 2]" 2
519 1 14 GLU HA 1 14 GLU QG . . 3.570 2.376 2.127 2.721 . 0 0 "[ . 1 . 2]" 2
520 1 14 GLU HB2 1 14 GLU QG . . 2.630 2.202 2.141 2.373 . 0 0 "[ . 1 . 2]" 2
521 1 14 GLU QG 1 15 SER H . . 4.050 3.681 3.292 4.048 . 0 0 "[ . 1 . 2]" 2
522 1 14 GLU QG 1 33 HIS HE1 . . 4.820 3.482 2.915 4.148 . 0 0 "[ . 1 . 2]" 2
523 1 15 SER H 1 15 SER QB . . 2.950 2.247 2.162 2.657 . 0 0 "[ . 1 . 2]" 2
524 1 15 SER QB 1 16 TYR H . . 3.560 2.977 2.471 3.468 . 0 0 "[ . 1 . 2]" 2
525 1 16 TYR H 1 16 TYR QB . . 3.450 2.242 2.136 2.287 . 0 0 "[ . 1 . 2]" 2
526 1 17 ALA MB 1 20 GLU QG . . 4.590 2.519 1.850 4.410 . 0 0 "[ . 1 . 2]" 2
527 1 18 ALA MB 1 19 ASP QB . . 4.530 3.841 3.077 4.419 . 0 0 "[ . 1 . 2]" 2
528 1 19 ASP H 1 19 ASP QB . . 3.590 2.474 2.256 2.751 . 0 0 "[ . 1 . 2]" 2
529 1 20 GLU H 1 20 GLU QG . . 3.560 3.192 2.078 3.685 0.125 12 0 "[ . 1 . 2]" 2
530 1 20 GLU HA 1 20 GLU QG . . 3.680 2.604 2.168 3.329 . 0 0 "[ . 1 . 2]" 2
531 1 20 GLU HA 1 21 PHE QB . . 5.340 4.025 3.938 4.127 . 0 0 "[ . 1 . 2]" 2
532 1 21 PHE H 1 21 PHE QB . . 3.540 2.244 2.138 2.417 . 0 0 "[ . 1 . 2]" 2
533 1 21 PHE QB 1 41 PRO HG2 . . 5.340 5.100 4.709 5.348 0.008 20 0 "[ . 1 . 2]" 2
534 1 21 PHE QD 1 41 PRO QD . . 4.500 3.337 2.439 3.857 . 0 0 "[ . 1 . 2]" 2
535 1 21 PHE QE 1 37 VAL QG . . 4.440 3.968 3.404 4.266 . 0 0 "[ . 1 . 2]" 2
536 1 21 PHE QE 1 41 PRO QD . . 5.290 4.303 3.466 5.191 . 0 0 "[ . 1 . 2]" 2
537 1 21 PHE HZ 1 37 VAL QG . . 4.890 4.425 3.341 4.742 . 0 0 "[ . 1 . 2]" 2
538 1 22 TRP QB 1 23 ILE H . . 4.160 2.668 2.489 2.988 . 0 0 "[ . 1 . 2]" 2
539 1 23 ILE MG 1 32 PHE QB . . 4.300 2.968 1.946 3.540 . 0 0 "[ . 1 . 2]" 2
540 1 23 ILE MG 1 37 VAL QG . . 3.200 1.660 1.561 1.830 . 0 0 "[ . 1 . 2]" 2
541 1 23 ILE MG 1 39 ILE QG . . 4.550 4.309 3.907 4.620 0.070 5 0 "[ . 1 . 2]" 2
542 1 23 ILE HG12 1 32 PHE QB . . 3.980 2.533 1.957 3.979 . 0 0 "[ . 1 . 2]" 2
543 1 23 ILE HG12 1 37 VAL QG . . 3.360 2.185 1.740 2.944 . 0 0 "[ . 1 . 2]" 2
544 1 23 ILE MD 1 32 PHE QB . . 4.290 3.204 2.528 4.319 0.029 11 0 "[ . 1 . 2]" 2
545 1 26 ASP H 1 26 ASP QB . . 3.250 2.463 2.190 3.004 . 0 0 "[ . 1 . 2]" 2
546 1 26 ASP QB 1 27 LEU H . . 4.230 3.083 2.243 3.876 . 0 0 "[ . 1 . 2]" 2
547 1 26 ASP QB 1 27 LEU HB2 . . 5.130 4.834 4.382 5.169 0.039 15 0 "[ . 1 . 2]" 2
548 1 26 ASP QB 1 27 LEU HG . . 4.410 3.920 3.457 4.341 . 0 0 "[ . 1 . 2]" 2
549 1 26 ASP QB 1 27 LEU QD . . 4.420 3.778 2.643 4.428 0.008 18 0 "[ . 1 . 2]" 2
550 1 26 ASP QB 1 49 GLN QB . . 4.340 2.642 2.056 3.327 . 0 0 "[ . 1 . 2]" 2
551 1 26 ASP QB 1 50 TYR H . . 5.340 5.231 4.900 5.359 0.019 9 0 "[ . 1 . 2]" 2
552 1 27 LEU H 1 27 LEU QD . . 4.410 3.025 1.947 3.675 . 0 0 "[ . 1 . 2]" 2
553 1 27 LEU HA 1 27 LEU QD . . 3.270 2.557 2.181 3.031 . 0 0 "[ . 1 . 2]" 2
554 1 27 LEU HB2 1 51 LYS QG . . 4.550 3.963 3.059 4.408 . 0 0 "[ . 1 . 2]" 2
555 1 27 LEU HB2 1 55 CYS QB . . 3.980 3.173 2.867 3.587 . 0 0 "[ . 1 . 2]" 2
556 1 27 LEU HB3 1 55 CYS QB . . 4.030 3.320 2.886 3.759 . 0 0 "[ . 1 . 2]" 2
557 1 27 LEU HG 1 51 LYS QG . . 4.770 4.345 3.660 4.809 0.039 11 0 "[ . 1 . 2]" 2
558 1 27 LEU QD 1 51 LYS HB2 . . 4.860 3.523 2.874 4.320 . 0 0 "[ . 1 . 2]" 2
559 1 27 LEU QD 1 51 LYS QG . . 3.960 2.064 1.787 2.578 . 0 0 "[ . 1 . 2]" 2
560 1 27 LEU QD 1 51 LYS QD . . 3.920 2.981 1.876 3.448 . 0 0 "[ . 1 . 2]" 2
561 1 27 LEU QD 1 51 LYS QE . . 3.370 1.869 1.673 2.063 . 0 0 "[ . 1 . 2]" 2
562 1 27 LEU QD 1 55 CYS QB . . 3.420 2.025 1.825 2.868 . 0 0 "[ . 1 . 2]" 2
563 1 27 LEU MD1 1 55 CYS HB2 . . 5.690 2.675 1.846 3.412 . 0 0 "[ . 1 . 2]" 2
564 1 27 LEU MD2 1 55 CYS HB2 . . 5.690 3.905 1.981 5.164 . 0 0 "[ . 1 . 2]" 2
565 1 27 LEU QD 1 58 LYS QD . . 5.000 4.277 3.032 5.042 0.042 17 0 "[ . 1 . 2]" 2
566 1 27 LEU QD 1 58 LYS QE . . 4.820 3.842 2.118 4.833 0.013 11 0 "[ . 1 . 2]" 2
567 1 28 CYS H 1 28 CYS QB . . 3.320 2.658 2.463 2.777 . 0 0 "[ . 1 . 2]" 2
568 1 28 CYS H 1 55 CYS QB . . 5.250 4.131 3.440 4.643 . 0 0 "[ . 1 . 2]" 2
569 1 28 CYS QB 1 29 GLU H . . 4.410 3.246 2.467 3.805 . 0 0 "[ . 1 . 2]" 2
570 1 28 CYS QB 1 29 GLU QB . . 5.180 4.641 4.231 5.339 0.159 7 0 "[ . 1 . 2]" 2
571 1 28 CYS QB 1 30 MET H . . 4.780 3.440 2.486 3.997 . 0 0 "[ . 1 . 2]" 2
572 1 30 MET H 1 30 MET QG . . 4.110 3.199 2.750 4.153 0.043 4 0 "[ . 1 . 2]" 2
573 1 30 MET HA 1 30 MET QG . . 3.700 2.352 2.111 2.695 . 0 0 "[ . 1 . 2]" 2
574 1 30 MET HB2 1 30 MET QG . . 2.620 2.290 2.144 2.475 . 0 0 "[ . 1 . 2]" 2
575 1 30 MET QG 1 31 TRP H . . 4.540 3.319 1.843 3.976 . 0 0 "[ . 1 . 2]" 2
576 1 30 MET QG 1 32 PHE HZ . . 5.340 3.293 2.161 4.282 . 0 0 "[ . 1 . 2]" 2
577 1 32 PHE QB 1 33 HIS H . . 4.200 2.101 1.997 2.226 . 0 0 "[ . 1 . 2]" 2
578 1 32 PHE QB 1 37 VAL QG . . 3.740 2.753 1.892 3.768 0.028 15 0 "[ . 1 . 2]" 2
579 1 32 PHE HB3 1 37 VAL MG1 . . 6.100 3.497 2.130 5.065 . 0 0 "[ . 1 . 2]" 2
580 1 32 PHE QD 1 37 VAL QG . . 3.930 3.284 2.682 3.956 0.026 2 0 "[ . 1 . 2]" 2
581 1 33 HIS H 1 36 CYS QB . . 4.240 2.289 2.106 2.568 . 0 0 "[ . 1 . 2]" 2
582 1 33 HIS QB 1 34 GLY H . . 4.470 3.046 2.748 3.293 . 0 0 "[ . 1 . 2]" 2
583 1 33 HIS QB 1 35 LYS QG . . 4.430 3.201 2.206 4.441 0.011 7 0 "[ . 1 . 2]" 2
584 1 33 HIS QB 1 36 CYS HA . . 4.830 4.196 4.038 4.467 . 0 0 "[ . 1 . 2]" 2
585 1 33 HIS QB 1 36 CYS QB . . 4.360 2.107 1.968 2.653 . 0 0 "[ . 1 . 2]" 2
586 1 35 LYS QE 1 35 LYS QG . . 3.480 2.262 2.087 2.659 . 0 0 "[ . 1 . 2]" 2
587 1 36 CYS H 1 36 CYS QB . . 3.140 2.226 2.157 2.306 . 0 0 "[ . 1 . 2]" 2
588 1 36 CYS QB 1 37 VAL H . . 4.140 2.559 2.424 2.732 . 0 0 "[ . 1 . 2]" 2
589 1 37 VAL H 1 37 VAL QG . . 3.510 2.088 1.923 2.350 . 0 0 "[ . 1 . 2]" 2
590 1 37 VAL QG 1 39 ILE HA . . 4.730 3.874 3.588 4.024 . 0 0 "[ . 1 . 2]" 2
591 1 37 VAL QG 1 39 ILE HB . . 4.170 1.967 1.869 2.083 . 0 0 "[ . 1 . 2]" 2
592 1 37 VAL QG 1 39 ILE MG . . 3.310 3.207 3.067 3.301 . 0 0 "[ . 1 . 2]" 2
593 1 37 VAL QG 1 39 ILE QG . . 4.540 2.206 1.910 2.615 . 0 0 "[ . 1 . 2]" 2
594 1 37 VAL QG 1 39 ILE MD . . 3.630 1.947 1.681 2.206 . 0 0 "[ . 1 . 2]" 2
595 1 37 VAL QG 1 47 ILE MG . . 5.380 4.836 4.278 5.311 . 0 0 "[ . 1 . 2]" 2
596 1 37 VAL QG 1 47 ILE MD . . 4.600 4.321 3.879 4.606 0.006 4 0 "[ . 1 . 2]" 2
597 1 37 VAL QG 1 50 TYR QB . . 4.630 3.990 3.434 4.450 . 0 0 "[ . 1 . 2]" 2
598 1 37 VAL QG 1 50 TYR QD . . 4.020 2.925 2.393 3.374 . 0 0 "[ . 1 . 2]" 2
599 1 37 VAL QG 1 53 PRO QG . . 4.140 3.086 2.346 3.649 . 0 0 "[ . 1 . 2]" 2
600 1 37 VAL QG 1 53 PRO HD2 . . 4.240 2.650 2.148 3.082 . 0 0 "[ . 1 . 2]" 2
601 1 37 VAL QG 1 53 PRO HD3 . . 4.260 2.403 1.761 3.498 . 0 0 "[ . 1 . 2]" 2
602 1 38 LYS HA 1 38 LYS QD . . 4.480 3.100 2.008 4.144 . 0 0 "[ . 1 . 2]" 2
603 1 39 ILE H 1 39 ILE QG . . 3.510 3.168 2.817 3.338 . 0 0 "[ . 1 . 2]" 2
604 1 39 ILE HA 1 39 ILE QG . . 3.230 2.336 2.249 2.389 . 0 0 "[ . 1 . 2]" 2
605 1 39 ILE HA 1 43 ARG QD . . 4.720 3.708 3.176 3.979 . 0 0 "[ . 1 . 2]" 2
606 1 39 ILE QG 1 39 ILE MG . . 3.120 2.314 2.247 2.405 . 0 0 "[ . 1 . 2]" 2
607 1 39 ILE QG 1 40 THR H . . 4.590 3.908 3.674 4.138 . 0 0 "[ . 1 . 2]" 2
608 1 39 ILE QG 1 43 ARG HB3 . . 5.340 4.888 4.615 5.150 . 0 0 "[ . 1 . 2]" 2
609 1 39 ILE QG 1 43 ARG QG . . 5.340 4.805 4.287 5.174 . 0 0 "[ . 1 . 2]" 2
610 1 39 ILE QG 1 50 TYR QD . . 4.550 4.080 3.691 4.591 0.041 8 0 "[ . 1 . 2]" 2
611 1 39 ILE QG 1 50 TYR QE . . 4.880 3.776 3.458 4.241 . 0 0 "[ . 1 . 2]" 2
612 1 39 ILE MD 1 50 TYR QB . . 4.730 2.701 2.387 3.157 . 0 0 "[ . 1 . 2]" 2
613 1 40 THR H 1 41 PRO QD . . 5.350 4.369 4.338 4.379 . 0 0 "[ . 1 . 2]" 2
614 1 40 THR HB 1 41 PRO QD . . 2.950 2.002 1.936 2.147 . 0 0 "[ . 1 . 2]" 2
615 1 40 THR MG 1 41 PRO QD . . 3.500 2.736 2.435 2.929 . 0 0 "[ . 1 . 2]" 2
616 1 40 THR MG 1 43 ARG QD . . 5.340 4.564 4.037 4.974 . 0 0 "[ . 1 . 2]" 2
617 1 41 PRO QB 1 42 ALA HA . . 5.340 4.157 4.099 4.190 . 0 0 "[ . 1 . 2]" 2
618 1 41 PRO QD 1 42 ALA MB . . 5.320 3.789 3.701 3.860 . 0 0 "[ . 1 . 2]" 2
619 1 42 ALA HA 1 45 GLU QB . . 5.300 4.407 3.408 4.756 . 0 0 "[ . 1 . 2]" 2
620 1 42 ALA HA 1 45 GLU QG . . 3.990 3.268 2.577 3.979 . 0 0 "[ . 1 . 2]" 2
621 1 43 ARG HA 1 43 ARG QD . . 4.280 4.202 4.123 4.284 0.004 7 0 "[ . 1 . 2]" 2
622 1 43 ARG HB2 1 43 ARG QD . . 3.720 2.721 2.454 3.070 . 0 0 "[ . 1 . 2]" 2
623 1 43 ARG HB3 1 43 ARG QD . . 3.630 2.333 2.180 2.585 . 0 0 "[ . 1 . 2]" 2
624 1 43 ARG HB3 1 47 ILE QG . . 5.340 4.427 3.925 5.062 . 0 0 "[ . 1 . 2]" 2
625 1 43 ARG QG 1 47 ILE QG . . 4.280 2.354 2.037 2.851 . 0 0 "[ . 1 . 2]" 2
626 1 43 ARG QD 1 47 ILE QG . . 4.760 3.301 2.910 4.032 . 0 0 "[ . 1 . 2]" 2
627 1 43 ARG QD 1 47 ILE MD . . 4.740 2.268 1.917 2.964 . 0 0 "[ . 1 . 2]" 2
628 1 44 ALA HA 1 47 ILE QG . . 3.900 3.026 1.867 3.233 . 0 0 "[ . 1 . 2]" 2
629 1 45 GLU H 1 45 GLU QB . . 3.340 2.465 2.246 2.728 . 0 0 "[ . 1 . 2]" 2
630 1 45 GLU H 1 45 GLU QG . . 3.960 2.243 1.878 2.681 . 0 0 "[ . 1 . 2]" 2
631 1 45 GLU HA 1 45 GLU QG . . 3.520 2.710 2.329 3.334 . 0 0 "[ . 1 . 2]" 2
632 1 45 GLU QB 1 45 GLU QG . . 2.350 2.034 1.970 2.086 . 0 0 "[ . 1 . 2]" 2
633 1 45 GLU QB 1 46 HIS HD2 . . 4.420 2.975 1.983 4.416 . 0 0 "[ . 1 . 2]" 2
634 1 47 ILE HA 1 47 ILE QG . . 3.570 2.441 2.383 2.897 . 0 0 "[ . 1 . 2]" 2
635 1 47 ILE MG 1 50 TYR QB . . 3.740 1.843 1.743 2.002 . 0 0 "[ . 1 . 2]" 2
636 1 47 ILE MD 1 50 TYR QB . . 4.470 2.895 2.657 3.137 . 0 0 "[ . 1 . 2]" 2
637 1 48 LYS QE 1 48 LYS QG . . 3.220 2.247 2.038 2.612 . 0 0 "[ . 1 . 2]" 2
638 1 49 GLN HA 1 49 GLN QG . . 3.690 2.847 2.167 3.472 . 0 0 "[ . 1 . 2]" 2
639 1 49 GLN QG 1 50 TYR H . . 4.920 4.378 3.997 4.719 . 0 0 "[ . 1 . 2]" 2
640 1 50 TYR H 1 50 TYR QB . . 3.160 2.246 2.147 2.340 . 0 0 "[ . 1 . 2]" 2
641 1 50 TYR QB 1 51 LYS H . . 4.450 3.473 3.402 3.644 . 0 0 "[ . 1 . 2]" 2
642 1 51 LYS H 1 51 LYS QG . . 4.180 4.005 3.924 4.058 . 0 0 "[ . 1 . 2]" 2
643 1 51 LYS HA 1 51 LYS QG . . 3.570 2.382 2.167 2.585 . 0 0 "[ . 1 . 2]" 2
644 1 51 LYS HB2 1 51 LYS QD . . 3.170 2.466 2.038 2.841 . 0 0 "[ . 1 . 2]" 2
645 1 51 LYS HB3 1 56 SER QB . . 3.900 3.225 2.144 3.894 . 0 0 "[ . 1 . 2]" 2
646 1 51 LYS QE 1 51 LYS QG . . 3.450 2.173 2.082 2.317 . 0 0 "[ . 1 . 2]" 2
647 1 51 LYS QG 1 52 CYS H . . 3.910 3.460 3.095 3.608 . 0 0 "[ . 1 . 2]" 2
648 1 51 LYS QG 1 55 CYS QB . . 4.210 2.866 2.234 3.951 . 0 0 "[ . 1 . 2]" 2
649 1 51 LYS QG 1 56 SER H . . 4.010 2.446 2.212 2.698 . 0 0 "[ . 1 . 2]" 2
650 1 51 LYS QG 1 56 SER HA . . 4.130 3.075 2.702 3.392 . 0 0 "[ . 1 . 2]" 2
651 1 51 LYS QG 1 56 SER QB . . 3.870 2.343 1.895 3.300 . 0 0 "[ . 1 . 2]" 2
652 1 51 LYS QD 1 56 SER H . . 4.770 3.552 3.115 4.449 . 0 0 "[ . 1 . 2]" 2
653 1 51 LYS QD 1 56 SER HA . . 3.620 2.334 1.953 3.814 0.194 18 0 "[ . 1 . 2]" 2
654 1 51 LYS QD 1 56 SER QB . . 4.460 2.587 1.901 4.040 . 0 0 "[ . 1 . 2]" 2
655 1 51 LYS QE 1 56 SER QB . . 4.110 3.834 3.235 4.128 0.018 15 0 "[ . 1 . 2]" 2
656 1 52 CYS HA 1 53 PRO QG . . 5.110 4.019 3.994 4.044 . 0 0 "[ . 1 . 2]" 2
657 1 53 PRO HA 1 56 SER QB . . 3.730 3.033 2.359 3.527 . 0 0 "[ . 1 . 2]" 2
658 1 53 PRO QB 1 54 SER H . . 3.790 3.543 3.403 3.681 . 0 0 "[ . 1 . 2]" 2
659 1 53 PRO QG 1 54 SER H . . 4.160 2.915 2.658 3.186 . 0 0 "[ . 1 . 2]" 2
660 1 54 SER H 1 54 SER QB . . 3.020 2.311 2.148 2.681 . 0 0 "[ . 1 . 2]" 2
661 1 54 SER HA 1 57 ASN QB . . 4.000 3.568 3.168 4.037 0.037 19 0 "[ . 1 . 2]" 2
662 1 54 SER QB 1 55 CYS H . . 3.610 2.750 2.177 3.013 . 0 0 "[ . 1 . 2]" 2
663 1 55 CYS H 1 55 CYS QB . . 3.040 2.534 2.267 2.897 . 0 0 "[ . 1 . 2]" 2
664 1 55 CYS HA 1 58 LYS QB . . 4.180 3.875 3.463 4.198 0.018 12 0 "[ . 1 . 2]" 2
665 1 55 CYS HA 1 58 LYS QG . . 4.160 2.516 1.984 3.989 . 0 0 "[ . 1 . 2]" 2
666 1 55 CYS QB 1 58 LYS QG . . 3.810 3.613 2.865 3.828 0.018 17 0 "[ . 1 . 2]" 2
667 1 56 SER H 1 56 SER QB . . 2.920 2.223 2.113 2.402 . 0 0 "[ . 1 . 2]" 2
668 1 56 SER HA 1 56 SER QB . . 2.520 2.248 2.170 2.481 . 0 0 "[ . 1 . 2]" 2
669 1 57 ASN QB 1 58 LYS HA . . 5.340 4.185 3.691 4.768 . 0 0 "[ . 1 . 2]" 2
670 1 58 LYS QB 1 58 LYS QD . . 3.350 2.145 2.032 2.280 . 0 0 "[ . 1 . 2]" 2
671 1 60 GLY QA 1 61 PRO QD . . 3.290 1.966 1.835 2.179 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 3:52:40 PM GMT (wattos1)