NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505893 |
1wee   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wee
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 161
_Distance_constraint_stats_list.Viol_total 16.960
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0053
_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 19 CYS 0.018 0.004 20 0 "[ . 1 . 2]"
1 21 CYS 0.027 0.004 19 0 "[ . 1 . 2]"
1 34 CYS 0.147 0.014 18 0 "[ . 1 . 2]"
1 37 CYS 0.063 0.012 14 0 "[ . 1 . 2]"
1 42 HIS 0.179 0.042 11 0 "[ . 1 . 2]"
1 45 CYS 0.224 0.059 17 0 "[ . 1 . 2]"
1 60 CYS 0.242 0.036 18 0 "[ . 1 . 2]"
1 63 CYS 0.060 0.014 18 0 "[ . 1 . 2]"
2 1 ZN 0.418 0.059 17 0 "[ . 1 . 2]"
3 1 ZN 0.318 0.036 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 CYS SG 2 1 ZN ZN . 2.330 2.370 2.343 2.326 2.371 0.004 20 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.339 2.326 2.368 0.004 19 0 "[ . 1 . 2]" 1
3 1 45 CYS SG 2 1 ZN ZN . 2.330 2.370 2.348 2.327 2.416 0.046 17 0 "[ . 1 . 2]" 1
4 1 42 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.358 2.316 2.385 0.015 7 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.397 3.250 3.513 0.003 13 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.430 3.260 3.513 0.003 11 0 "[ . 1 . 2]" 1
7 1 42 HIS CG 2 1 ZN ZN . 3.250 3.510 3.299 3.236 3.552 0.042 11 0 "[ . 1 . 2]" 1
8 1 45 CYS CB 2 1 ZN ZN . 3.250 3.510 3.428 3.191 3.514 0.059 17 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 21 CYS SG . 3.200 4.000 3.871 3.455 4.001 0.001 20 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 42 HIS ND1 . 3.200 4.000 3.653 3.209 4.001 0.001 11 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 45 CYS SG . 3.200 4.000 3.852 3.571 4.001 0.001 20 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 42 HIS ND1 . 3.200 4.000 3.908 3.567 4.001 0.001 20 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 45 CYS SG . 3.200 4.000 3.734 3.199 4.002 0.002 17 0 "[ . 1 . 2]" 1
14 1 42 HIS ND1 1 45 CYS SG . 3.200 4.000 3.862 3.587 4.003 0.003 19 0 "[ . 1 . 2]" 1
15 1 34 CYS SG 3 1 ZN ZN . 2.330 2.370 2.332 2.316 2.372 0.014 18 0 "[ . 1 . 2]" 1
16 1 37 CYS SG 3 1 ZN ZN . 2.330 2.370 2.339 2.318 2.370 0.012 14 0 "[ . 1 . 2]" 1
17 1 60 CYS SG 3 1 ZN ZN . 2.330 2.370 2.328 2.294 2.369 0.036 18 0 "[ . 1 . 2]" 1
18 1 63 CYS SG 3 1 ZN ZN . 2.330 2.370 2.348 2.323 2.377 0.007 18 0 "[ . 1 . 2]" 1
19 1 34 CYS CB 3 1 ZN ZN . 3.250 3.510 3.471 3.283 3.516 0.006 11 0 "[ . 1 . 2]" 1
20 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.484 3.393 3.516 0.006 14 0 "[ . 1 . 2]" 1
21 1 60 CYS CB 3 1 ZN ZN . 3.250 3.510 3.467 3.257 3.541 0.031 18 0 "[ . 1 . 2]" 1
22 1 63 CYS CB 3 1 ZN ZN . 3.250 3.510 3.439 3.267 3.517 0.007 15 0 "[ . 1 . 2]" 1
23 1 34 CYS SG 1 37 CYS SG . 3.200 4.000 3.818 3.471 4.010 0.010 14 0 "[ . 1 . 2]" 1
24 1 34 CYS SG 1 60 CYS SG . 3.200 4.000 3.988 3.788 4.011 0.011 18 0 "[ . 1 . 2]" 1
25 1 34 CYS SG 1 63 CYS SG . 3.200 4.000 3.656 3.198 4.000 0.002 14 0 "[ . 1 . 2]" 1
26 1 37 CYS SG 1 60 CYS SG . 3.200 4.000 3.855 3.605 4.001 0.001 17 0 "[ . 1 . 2]" 1
27 1 37 CYS SG 1 63 CYS SG . 3.200 4.000 3.742 3.198 4.000 0.002 11 0 "[ . 1 . 2]" 1
28 1 60 CYS SG 1 63 CYS SG . 3.200 4.000 3.711 3.186 4.006 0.014 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 740
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 76.267
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0197
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.003 0.003 5 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.058 0.018 19 0 "[ . 1 . 2]"
1 13 ASP 0.020 0.012 7 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TRP 0.364 0.169 13 0 "[ . 1 . 2]"
1 16 LYS 0.123 0.119 19 0 "[ . 1 . 2]"
1 17 VAL 0.299 0.119 19 0 "[ . 1 . 2]"
1 18 ASP 0.015 0.012 20 0 "[ . 1 . 2]"
1 19 CYS 0.015 0.009 20 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 17 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.037 0.032 11 0 "[ . 1 . 2]"
1 24 LYS 0.120 0.068 13 0 "[ . 1 . 2]"
1 25 ASP 0.002 0.002 20 0 "[ . 1 . 2]"
1 26 ASP 0.006 0.006 5 0 "[ . 1 . 2]"
1 27 ASP 0.001 0.001 5 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.026 0.011 11 0 "[ . 1 . 2]"
1 30 ARG 0.101 0.025 5 0 "[ . 1 . 2]"
1 31 MET 0.132 0.025 5 0 "[ . 1 . 2]"
1 32 LEU 0.174 0.143 18 0 "[ . 1 . 2]"
1 33 ALA 0.001 0.001 19 0 "[ . 1 . 2]"
1 34 CYS 0.054 0.020 15 0 "[ . 1 . 2]"
1 35 ASP 0.042 0.038 18 0 "[ . 1 . 2]"
1 36 GLY 0.064 0.020 15 0 "[ . 1 . 2]"
1 37 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.036 0.012 12 0 "[ . 1 . 2]"
1 40 TRP 0.184 0.048 19 0 "[ . 1 . 2]"
1 41 HIS 0.071 0.038 11 0 "[ . 1 . 2]"
1 42 HIS 0.204 0.046 17 0 "[ . 1 . 2]"
1 43 THR 0.219 0.050 8 0 "[ . 1 . 2]"
1 44 ARG 0.028 0.015 8 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.012 0.012 9 0 "[ . 1 . 2]"
1 47 GLY 0.041 0.041 19 0 "[ . 1 . 2]"
1 48 ILE 0.719 0.181 19 0 "[ . 1 . 2]"
1 49 ASN 0.065 0.033 18 0 "[ . 1 . 2]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.010 0.010 8 0 "[ . 1 . 2]"
1 52 ASP 0.053 0.047 7 0 "[ . 1 . 2]"
1 53 ALA 0.109 0.109 14 0 "[ . 1 . 2]"
1 54 LEU 0.433 0.126 13 0 "[ . 1 . 2]"
1 55 PRO 0.286 0.126 13 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.020 0.006 18 0 "[ . 1 . 2]"
1 58 PHE 0.004 0.003 10 0 "[ . 1 . 2]"
1 59 LEU 0.152 0.038 18 0 "[ . 1 . 2]"
1 60 CYS 0.023 0.020 14 0 "[ . 1 . 2]"
1 61 PHE 0.031 0.020 14 0 "[ . 1 . 2]"
1 62 ARG 0.634 0.197 20 0 "[ . 1 . 2]"
1 63 CYS 0.143 0.034 18 0 "[ . 1 . 2]"
1 64 ILE 0.301 0.054 7 0 "[ . 1 . 2]"
1 65 GLU 0.137 0.054 7 0 "[ . 1 . 2]"
1 66 LEU 0.073 0.023 4 0 "[ . 1 . 2]"
1 67 SER 0.001 0.001 19 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 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 35 ASP H 1 59 LEU HA . . 4.560 4.467 4.282 4.564 0.004 15 0 "[ . 1 . 2]" 2
2 1 35 ASP H 1 35 ASP HB3 . . 3.720 2.888 2.375 3.597 . 0 0 "[ . 1 . 2]" 2
3 1 15 TRP HD1 1 40 TRP HE1 . . 5.240 4.063 1.973 5.245 0.005 1 0 "[ . 1 . 2]" 2
4 1 15 TRP HB3 1 40 TRP HE1 . . 4.120 2.404 1.915 4.131 0.011 13 0 "[ . 1 . 2]" 2
5 1 15 TRP HB2 1 40 TRP HE1 . . 4.120 3.400 1.931 4.137 0.017 19 0 "[ . 1 . 2]" 2
6 1 33 ALA MB 1 40 TRP HE1 . . 4.220 3.366 2.433 4.220 . 0 0 "[ . 1 . 2]" 2
7 1 58 PHE HA 1 59 LEU H . . 3.210 2.183 2.140 2.300 . 0 0 "[ . 1 . 2]" 2
8 1 59 LEU H 1 59 LEU MD2 . . 5.370 3.434 1.896 4.497 . 0 0 "[ . 1 . 2]" 2
9 1 59 LEU H 1 59 LEU HB2 . . 3.800 2.475 2.325 2.698 . 0 0 "[ . 1 . 2]" 2
10 1 48 ILE HA 1 49 ASN H . . 3.060 2.196 2.140 2.322 . 0 0 "[ . 1 . 2]" 2
11 1 40 TRP H 1 40 TRP HB2 . . 3.470 2.484 2.334 2.686 . 0 0 "[ . 1 . 2]" 2
12 1 49 ASN H 1 52 ASP QB . . 4.320 3.120 1.933 4.325 0.005 3 0 "[ . 1 . 2]" 2
13 1 39 VAL HB 1 40 TRP H . . 4.720 4.105 3.865 4.351 . 0 0 "[ . 1 . 2]" 2
14 1 39 VAL MG1 1 40 TRP H . . 4.670 2.514 1.983 4.172 . 0 0 "[ . 1 . 2]" 2
15 1 49 ASN H 1 51 ALA H . . 5.020 4.753 3.263 5.030 0.010 8 0 "[ . 1 . 2]" 2
16 1 17 VAL HA 1 40 TRP H . . 3.580 2.989 2.457 3.442 . 0 0 "[ . 1 . 2]" 2
17 1 39 VAL HA 1 40 TRP H . . 3.130 2.181 2.141 2.278 . 0 0 "[ . 1 . 2]" 2
18 1 48 ILE MG 1 49 ASN H . . 4.170 2.663 2.016 3.625 . 0 0 "[ . 1 . 2]" 2
19 1 27 ASP H 1 28 GLY H . . 3.750 2.611 2.066 3.173 . 0 0 "[ . 1 . 2]" 2
20 1 26 ASP HA 1 27 ASP H . . 3.250 2.167 2.138 2.250 . 0 0 "[ . 1 . 2]" 2
21 1 59 LEU HA 1 60 CYS H . . 3.270 2.184 2.139 2.303 . 0 0 "[ . 1 . 2]" 2
22 1 60 CYS H 1 60 CYS HB3 . . 3.980 2.516 2.213 2.841 . 0 0 "[ . 1 . 2]" 2
23 1 23 THR HA 1 24 LYS H . . 2.810 2.171 2.141 2.264 . 0 0 "[ . 1 . 2]" 2
24 1 24 LYS H 1 25 ASP H . . 3.350 2.236 1.897 2.906 . 0 0 "[ . 1 . 2]" 2
25 1 23 THR HB 1 24 LYS H . . 4.740 4.191 3.870 4.426 . 0 0 "[ . 1 . 2]" 2
26 1 24 LYS H 1 24 LYS HB2 . . 4.160 3.661 3.009 3.784 . 0 0 "[ . 1 . 2]" 2
27 1 24 LYS H 1 24 LYS QD . . 4.230 3.490 1.831 4.298 0.068 13 0 "[ . 1 . 2]" 2
28 1 23 THR MG 1 24 LYS H . . 3.450 2.554 1.962 3.221 . 0 0 "[ . 1 . 2]" 2
29 1 24 LYS H 1 24 LYS QG . . 3.750 2.199 1.889 3.801 0.051 13 0 "[ . 1 . 2]" 2
30 1 16 LYS HA 1 17 VAL H . . 3.130 2.367 2.144 3.249 0.119 19 0 "[ . 1 . 2]" 2
31 1 16 LYS HB3 1 17 VAL H . . 4.570 3.982 2.920 4.517 . 0 0 "[ . 1 . 2]" 2
32 1 17 VAL H 1 17 VAL HB . . 3.980 2.997 2.439 3.916 . 0 0 "[ . 1 . 2]" 2
33 1 30 ARG HB3 1 31 MET H . . 4.270 3.876 3.526 4.138 . 0 0 "[ . 1 . 2]" 2
34 1 30 ARG HA 1 31 MET H . . 2.860 2.264 2.162 2.377 . 0 0 "[ . 1 . 2]" 2
35 1 30 ARG HB2 1 31 MET H . . 4.270 3.999 3.662 4.268 . 0 0 "[ . 1 . 2]" 2
36 1 30 ARG HG2 1 31 MET H . . 3.820 3.029 2.012 3.843 0.023 1 0 "[ . 1 . 2]" 2
37 1 30 ARG HG3 1 31 MET H . . 3.820 2.497 1.927 3.270 . 0 0 "[ . 1 . 2]" 2
38 1 16 LYS HB2 1 17 VAL H . . 4.570 4.405 3.642 4.569 . 0 0 "[ . 1 . 2]" 2
39 1 17 VAL H 1 17 VAL MG2 . . 4.240 2.447 1.909 3.763 . 0 0 "[ . 1 . 2]" 2
40 1 58 PHE H 1 58 PHE QD . . 4.480 4.056 3.794 4.331 . 0 0 "[ . 1 . 2]" 2
41 1 57 LYS HG2 1 58 PHE H . . 5.430 4.535 3.806 5.286 . 0 0 "[ . 1 . 2]" 2
42 1 35 ASP H 1 58 PHE H . . 4.400 3.093 2.326 4.127 . 0 0 "[ . 1 . 2]" 2
43 1 58 PHE H 1 59 LEU H . . 5.500 4.276 3.818 4.426 . 0 0 "[ . 1 . 2]" 2
44 1 57 LYS HA 1 58 PHE H . . 2.980 2.185 2.140 2.256 . 0 0 "[ . 1 . 2]" 2
45 1 58 PHE H 1 58 PHE HB2 . . 3.880 3.412 2.926 3.564 . 0 0 "[ . 1 . 2]" 2
46 1 58 PHE H 1 58 PHE HB3 . . 3.880 2.599 2.446 2.719 . 0 0 "[ . 1 . 2]" 2
47 1 16 LYS H 1 16 LYS HB2 . . 4.020 2.449 2.219 2.701 . 0 0 "[ . 1 . 2]" 2
48 1 15 TRP HB2 1 16 LYS H . . 4.790 3.938 2.054 4.565 . 0 0 "[ . 1 . 2]" 2
49 1 16 LYS H 1 16 LYS HB3 . . 4.020 3.263 2.381 3.813 . 0 0 "[ . 1 . 2]" 2
50 1 16 LYS H 1 16 LYS QD . . 4.570 4.177 2.683 4.571 0.001 10 0 "[ . 1 . 2]" 2
51 1 34 CYS H 1 38 GLY H . . 4.010 3.489 3.110 3.751 . 0 0 "[ . 1 . 2]" 2
52 1 62 ARG H 1 63 CYS H . . 3.520 2.933 2.594 3.174 . 0 0 "[ . 1 . 2]" 2
53 1 59 LEU HB3 1 63 CYS H . . 4.950 4.714 4.025 4.956 0.006 14 0 "[ . 1 . 2]" 2
54 1 34 CYS H 1 39 VAL H . . 4.390 2.137 1.804 3.124 . 0 0 "[ . 1 . 2]" 2
55 1 39 VAL H 1 39 VAL HB . . 3.300 2.669 2.515 3.172 . 0 0 "[ . 1 . 2]" 2
56 1 39 VAL H 1 39 VAL MG2 . . 4.450 2.901 2.506 3.842 . 0 0 "[ . 1 . 2]" 2
57 1 34 CYS HB2 1 39 VAL H . . 4.050 3.580 3.246 4.054 0.004 17 0 "[ . 1 . 2]" 2
58 1 62 ARG H 1 62 ARG HG2 . . 4.410 3.161 1.999 4.450 0.040 20 0 "[ . 1 . 2]" 2
59 1 62 ARG H 1 62 ARG HG3 . . 4.410 3.398 1.958 4.370 . 0 0 "[ . 1 . 2]" 2
60 1 52 ASP QB 1 53 ALA H . . 3.370 2.952 2.238 3.357 . 0 0 "[ . 1 . 2]" 2
61 1 53 ALA H 1 53 ALA MB . . 3.060 2.273 2.029 2.477 . 0 0 "[ . 1 . 2]" 2
62 1 52 ASP HA 1 53 ALA H . . 2.950 2.380 2.143 2.493 . 0 0 "[ . 1 . 2]" 2
63 1 42 HIS HB3 1 44 ARG H . . 4.460 3.127 2.672 3.903 . 0 0 "[ . 1 . 2]" 2
64 1 44 ARG H 1 44 ARG HB2 . . 4.020 3.111 2.424 3.602 . 0 0 "[ . 1 . 2]" 2
65 1 44 ARG H 1 44 ARG HB3 . . 4.020 2.632 2.255 3.599 . 0 0 "[ . 1 . 2]" 2
66 1 30 ARG H 1 30 ARG QD . . 5.090 4.436 3.952 4.895 . 0 0 "[ . 1 . 2]" 2
67 1 8 MET HA 1 9 GLU H . . 3.370 2.353 2.144 2.794 . 0 0 "[ . 1 . 2]" 2
68 1 29 GLU HA 1 30 ARG H . . 3.560 2.286 2.165 2.548 . 0 0 "[ . 1 . 2]" 2
69 1 9 GLU H 1 9 GLU QG . . 4.280 2.802 1.861 4.214 . 0 0 "[ . 1 . 2]" 2
70 1 29 GLU HB3 1 30 ARG H . . 3.330 2.767 2.125 3.186 . 0 0 "[ . 1 . 2]" 2
71 1 30 ARG H 1 30 ARG HB2 . . 3.620 2.542 2.278 2.926 . 0 0 "[ . 1 . 2]" 2
72 1 30 ARG H 1 30 ARG HB3 . . 3.620 2.557 2.234 2.798 . 0 0 "[ . 1 . 2]" 2
73 1 30 ARG H 1 30 ARG HG3 . . 4.760 4.431 4.264 4.665 . 0 0 "[ . 1 . 2]" 2
74 1 12 VAL MG1 1 13 ASP H . . 5.490 3.082 1.942 3.987 . 0 0 "[ . 1 . 2]" 2
75 1 12 VAL MG2 1 13 ASP H . . 5.490 3.384 1.913 4.188 . 0 0 "[ . 1 . 2]" 2
76 1 10 ARG H 1 10 ARG HB3 . . 4.100 3.273 2.547 3.819 . 0 0 "[ . 1 . 2]" 2
77 1 10 ARG H 1 10 ARG QG . . 4.490 3.387 1.978 4.391 . 0 0 "[ . 1 . 2]" 2
78 1 10 ARG H 1 10 ARG HB2 . . 4.100 2.753 2.209 3.641 . 0 0 "[ . 1 . 2]" 2
79 1 49 ASN HA 1 50 ASN H . . 3.330 2.409 2.183 2.836 . 0 0 "[ . 1 . 2]" 2
80 1 15 TRP H 1 15 TRP HB3 . . 3.810 3.419 2.375 3.842 0.032 6 0 "[ . 1 . 2]" 2
81 1 14 ASN HB2 1 15 TRP H . . 5.360 3.239 2.257 4.595 . 0 0 "[ . 1 . 2]" 2
82 1 14 ASN HB3 1 15 TRP H . . 5.360 2.940 1.918 4.269 . 0 0 "[ . 1 . 2]" 2
83 1 32 LEU H 1 40 TRP HB2 . . 5.500 5.122 4.820 5.501 0.001 18 0 "[ . 1 . 2]" 2
84 1 32 LEU H 1 32 LEU HG . . 4.140 3.475 3.160 4.152 0.012 18 0 "[ . 1 . 2]" 2
85 1 23 THR H 1 23 THR HB . . 3.020 2.549 2.427 2.714 . 0 0 "[ . 1 . 2]" 2
86 1 19 CYS HB3 1 23 THR H . . 3.950 3.000 2.440 3.344 . 0 0 "[ . 1 . 2]" 2
87 1 23 THR H 1 23 THR MG . . 4.070 3.793 3.752 3.846 . 0 0 "[ . 1 . 2]" 2
88 1 48 ILE H 1 48 ILE HG12 . . 4.120 3.194 1.797 4.097 . 0 0 "[ . 1 . 2]" 2
89 1 32 LEU H 1 41 HIS H . . 3.650 2.217 1.839 3.166 . 0 0 "[ . 1 . 2]" 2
90 1 32 LEU H 1 40 TRP HE3 . . 4.550 3.226 2.316 3.977 . 0 0 "[ . 1 . 2]" 2
91 1 31 MET HA 1 32 LEU H . . 3.330 2.448 2.290 2.584 . 0 0 "[ . 1 . 2]" 2
92 1 32 LEU H 1 42 HIS HA . . 5.240 4.554 3.606 4.947 . 0 0 "[ . 1 . 2]" 2
93 1 31 MET HB2 1 32 LEU H . . 4.150 3.535 3.173 3.883 . 0 0 "[ . 1 . 2]" 2
94 1 31 MET HB3 1 32 LEU H . . 4.150 2.362 2.087 2.782 . 0 0 "[ . 1 . 2]" 2
95 1 32 LEU H 1 32 LEU HB3 . . 4.030 3.058 2.450 3.249 . 0 0 "[ . 1 . 2]" 2
96 1 48 ILE H 1 48 ILE HG13 . . 4.120 3.358 2.156 4.121 0.001 15 0 "[ . 1 . 2]" 2
97 1 63 CYS HA 1 65 GLU H . . 4.200 3.945 3.620 4.214 0.014 20 0 "[ . 1 . 2]" 2
98 1 64 ILE HB 1 65 GLU H . . 3.660 2.705 2.369 2.892 . 0 0 "[ . 1 . 2]" 2
99 1 64 ILE MG 1 65 GLU H . . 3.900 3.461 3.191 3.672 . 0 0 "[ . 1 . 2]" 2
100 1 29 GLU H 1 29 GLU HG2 . . 4.120 3.378 2.246 4.110 . 0 0 "[ . 1 . 2]" 2
101 1 29 GLU H 1 29 GLU HB2 . . 3.030 2.530 2.324 2.741 . 0 0 "[ . 1 . 2]" 2
102 1 29 GLU H 1 31 MET ME . . 4.350 3.925 3.201 4.352 0.002 6 0 "[ . 1 . 2]" 2
103 1 54 LEU H 1 55 PRO HA . . 5.500 5.449 4.722 5.526 0.026 4 0 "[ . 1 . 2]" 2
104 1 64 ILE H 1 64 ILE HG13 . . 3.540 2.594 1.902 3.575 0.035 7 0 "[ . 1 . 2]" 2
105 1 64 ILE H 1 64 ILE MD . . 3.620 3.147 1.832 3.629 0.009 4 0 "[ . 1 . 2]" 2
106 1 54 LEU H 1 54 LEU HG . . 3.070 2.630 2.072 3.085 0.015 14 0 "[ . 1 . 2]" 2
107 1 64 ILE H 1 64 ILE HB . . 3.230 2.670 2.483 2.825 . 0 0 "[ . 1 . 2]" 2
108 1 53 ALA HA 1 54 LEU H . . 3.260 2.571 2.325 3.369 0.109 14 0 "[ . 1 . 2]" 2
109 1 53 ALA MB 1 54 LEU H . . 3.230 2.302 1.975 3.104 . 0 0 "[ . 1 . 2]" 2
110 1 64 ILE H 1 64 ILE HG12 . . 3.540 2.885 1.912 3.591 0.051 3 0 "[ . 1 . 2]" 2
111 1 54 LEU H 1 54 LEU MD1 . . 4.720 3.436 1.867 4.044 . 0 0 "[ . 1 . 2]" 2
112 1 48 ILE MG 1 52 ASP H . . 4.650 4.041 3.248 4.513 . 0 0 "[ . 1 . 2]" 2
113 1 66 LEU H 1 66 LEU MD1 . . 5.200 3.928 2.113 4.331 . 0 0 "[ . 1 . 2]" 2
114 1 37 CYS H 1 37 CYS HB3 . . 4.160 3.170 2.776 3.583 . 0 0 "[ . 1 . 2]" 2
115 1 63 CYS HA 1 66 LEU H . . 4.090 2.991 2.828 3.344 . 0 0 "[ . 1 . 2]" 2
116 1 66 LEU H 1 66 LEU HB3 . . 3.580 2.798 2.261 3.581 0.001 9 0 "[ . 1 . 2]" 2
117 1 56 SER H 1 57 LYS H . . 3.850 2.831 2.553 3.020 . 0 0 "[ . 1 . 2]" 2
118 1 56 SER QB 1 57 LYS H . . 4.160 2.603 2.502 2.775 . 0 0 "[ . 1 . 2]" 2
119 1 55 PRO HB3 1 57 LYS H . . 4.380 4.353 4.195 4.384 0.004 8 0 "[ . 1 . 2]" 2
120 1 55 PRO HB2 1 57 LYS H . . 3.570 2.791 2.612 2.930 . 0 0 "[ . 1 . 2]" 2
121 1 57 LYS H 1 57 LYS HG2 . . 4.880 3.432 2.182 4.775 . 0 0 "[ . 1 . 2]" 2
122 1 57 LYS H 1 57 LYS HG3 . . 4.880 3.504 2.706 4.314 . 0 0 "[ . 1 . 2]" 2
123 1 25 ASP H 1 25 ASP HB3 . . 4.140 3.067 2.679 3.846 . 0 0 "[ . 1 . 2]" 2
124 1 25 ASP H 1 25 ASP HB2 . . 4.140 3.528 2.746 3.904 . 0 0 "[ . 1 . 2]" 2
125 1 34 CYS HB3 1 37 CYS H . . 4.190 3.449 3.051 3.670 . 0 0 "[ . 1 . 2]" 2
126 1 52 ASP H 1 52 ASP QB . . 3.350 2.425 2.173 3.397 0.047 7 0 "[ . 1 . 2]" 2
127 1 23 THR MG 1 25 ASP H . . 3.320 2.376 1.857 3.072 . 0 0 "[ . 1 . 2]" 2
128 1 66 LEU H 1 66 LEU MD2 . . 5.200 4.000 3.543 4.260 . 0 0 "[ . 1 . 2]" 2
129 1 13 ASP QB 1 14 ASN H . . 3.980 2.548 1.882 3.872 . 0 0 "[ . 1 . 2]" 2
130 1 44 ARG H 1 45 CYS H . . 4.320 2.642 2.416 2.898 . 0 0 "[ . 1 . 2]" 2
131 1 42 HIS HB2 1 45 CYS H . . 3.540 2.792 2.230 3.259 . 0 0 "[ . 1 . 2]" 2
132 1 42 HIS HB3 1 45 CYS H . . 3.700 2.519 2.101 3.289 . 0 0 "[ . 1 . 2]" 2
133 1 45 CYS H 1 45 CYS HB2 . . 4.120 2.601 2.196 3.586 . 0 0 "[ . 1 . 2]" 2
134 1 45 CYS H 1 45 CYS HB3 . . 4.120 3.198 2.182 3.596 . 0 0 "[ . 1 . 2]" 2
135 1 44 ARG HB3 1 45 CYS H . . 4.490 3.258 2.286 4.092 . 0 0 "[ . 1 . 2]" 2
136 1 12 VAL H 1 12 VAL HB . . 3.740 2.949 2.515 3.723 . 0 0 "[ . 1 . 2]" 2
137 1 12 VAL H 1 12 VAL MG1 . . 4.000 2.952 1.927 3.934 . 0 0 "[ . 1 . 2]" 2
138 1 25 ASP HA 1 26 ASP H . . 3.410 2.462 2.277 2.628 . 0 0 "[ . 1 . 2]" 2
139 1 26 ASP H 1 26 ASP HB2 . . 3.610 2.805 2.224 3.616 0.006 5 0 "[ . 1 . 2]" 2
140 1 25 ASP HB3 1 26 ASP H . . 4.410 3.527 2.138 4.077 . 0 0 "[ . 1 . 2]" 2
141 1 26 ASP H 1 26 ASP HB3 . . 3.610 2.884 2.209 3.591 . 0 0 "[ . 1 . 2]" 2
142 1 17 VAL MG1 1 26 ASP H . . 5.470 3.614 2.518 4.228 . 0 0 "[ . 1 . 2]" 2
143 1 21 CYS H 1 22 GLY H . . 3.620 2.797 2.495 2.957 . 0 0 "[ . 1 . 2]" 2
144 1 21 CYS H 1 23 THR H . . 4.480 4.340 4.002 4.480 0.000 17 0 "[ . 1 . 2]" 2
145 1 21 CYS H 1 21 CYS QB . . 3.320 2.517 2.407 2.671 . 0 0 "[ . 1 . 2]" 2
146 1 19 CYS HB3 1 21 CYS H . . 4.000 2.989 2.544 3.329 . 0 0 "[ . 1 . 2]" 2
147 1 20 LYS HB3 1 21 CYS H . . 4.490 3.972 3.772 4.162 . 0 0 "[ . 1 . 2]" 2
148 1 20 LYS HG3 1 21 CYS H . . 4.520 2.634 2.006 4.396 . 0 0 "[ . 1 . 2]" 2
149 1 20 LYS H 1 21 CYS H . . 4.090 2.544 2.076 2.880 . 0 0 "[ . 1 . 2]" 2
150 1 20 LYS HG2 1 21 CYS H . . 4.520 2.762 2.126 3.863 . 0 0 "[ . 1 . 2]" 2
151 1 61 PHE H 1 62 ARG H . . 3.710 3.071 2.621 3.386 . 0 0 "[ . 1 . 2]" 2
152 1 61 PHE H 1 61 PHE QD . . 3.160 2.227 1.905 2.913 . 0 0 "[ . 1 . 2]" 2
153 1 60 CYS HA 1 61 PHE H . . 3.130 2.321 2.217 2.535 . 0 0 "[ . 1 . 2]" 2
154 1 61 PHE H 1 61 PHE HB2 . . 3.770 2.900 2.300 3.631 . 0 0 "[ . 1 . 2]" 2
155 1 61 PHE H 1 61 PHE HB3 . . 3.770 3.195 2.306 3.620 . 0 0 "[ . 1 . 2]" 2
156 1 60 CYS HB2 1 61 PHE H . . 3.570 2.696 2.217 2.996 . 0 0 "[ . 1 . 2]" 2
157 1 60 CYS HB3 1 61 PHE H . . 4.260 3.961 3.584 4.189 . 0 0 "[ . 1 . 2]" 2
158 1 67 SER H 1 67 SER QB . . 3.810 2.430 2.217 3.269 . 0 0 "[ . 1 . 2]" 2
159 1 66 LEU HB2 1 67 SER H . . 4.410 3.546 2.531 4.341 . 0 0 "[ . 1 . 2]" 2
160 1 66 LEU HG 1 67 SER H . . 5.070 4.229 3.378 5.071 0.001 19 0 "[ . 1 . 2]" 2
161 1 66 LEU HB3 1 67 SER H . . 4.410 2.840 2.481 3.485 . 0 0 "[ . 1 . 2]" 2
162 1 43 THR H 1 44 ARG H . . 4.020 2.889 2.703 3.110 . 0 0 "[ . 1 . 2]" 2
163 1 42 HIS HA 1 43 THR H . . 3.270 2.166 2.139 2.262 . 0 0 "[ . 1 . 2]" 2
164 1 42 HIS HB3 1 43 THR H . . 4.290 3.709 3.296 4.075 . 0 0 "[ . 1 . 2]" 2
165 1 35 ASP H 1 36 GLY H . . 3.720 2.912 2.755 3.041 . 0 0 "[ . 1 . 2]" 2
166 1 36 GLY H 1 37 CYS H . . 3.340 3.180 2.947 3.326 . 0 0 "[ . 1 . 2]" 2
167 1 36 GLY H 1 59 LEU HA . . 4.540 3.435 3.021 3.983 . 0 0 "[ . 1 . 2]" 2
168 1 34 CYS HA 1 36 GLY H . . 3.760 3.711 3.619 3.780 0.020 15 0 "[ . 1 . 2]" 2
169 1 36 GLY H 1 59 LEU MD2 . . 4.830 3.092 1.805 4.603 . 0 0 "[ . 1 . 2]" 2
170 1 34 CYS HB2 1 38 GLY H . . 4.780 4.075 3.636 4.502 . 0 0 "[ . 1 . 2]" 2
171 1 37 CYS HB3 1 38 GLY H . . 5.010 3.708 3.308 3.928 . 0 0 "[ . 1 . 2]" 2
172 1 36 GLY H 1 38 GLY H . . 4.670 4.449 4.185 4.622 . 0 0 "[ . 1 . 2]" 2
173 1 45 CYS H 1 46 ILE H . . 3.570 2.773 2.415 3.152 . 0 0 "[ . 1 . 2]" 2
174 1 44 ARG HA 1 46 ILE H . . 5.350 4.455 4.000 4.871 . 0 0 "[ . 1 . 2]" 2
175 1 42 HIS HB2 1 46 ILE H . . 4.400 4.020 3.681 4.380 . 0 0 "[ . 1 . 2]" 2
176 1 43 THR HA 1 46 ILE H . . 4.700 3.762 3.142 4.189 . 0 0 "[ . 1 . 2]" 2
177 1 45 CYS HB2 1 46 ILE H . . 4.490 3.019 2.311 4.170 . 0 0 "[ . 1 . 2]" 2
178 1 45 CYS HB3 1 46 ILE H . . 4.490 3.328 2.665 3.760 . 0 0 "[ . 1 . 2]" 2
179 1 46 ILE H 1 46 ILE HB . . 4.020 3.572 2.634 3.646 . 0 0 "[ . 1 . 2]" 2
180 1 46 ILE H 1 46 ILE MG . . 3.750 2.385 1.952 3.762 0.012 9 0 "[ . 1 . 2]" 2
181 1 22 GLY H 1 23 THR H . . 2.740 1.963 1.797 2.223 . 0 0 "[ . 1 . 2]" 2
182 1 28 GLY H 1 29 GLU H . . 3.220 2.119 1.797 3.201 . 0 0 "[ . 1 . 2]" 2
183 1 26 ASP HA 1 28 GLY H . . 4.450 4.094 3.248 4.432 . 0 0 "[ . 1 . 2]" 2
184 1 28 GLY H 1 31 MET ME . . 4.630 3.852 2.898 4.436 . 0 0 "[ . 1 . 2]" 2
185 1 51 ALA H 1 52 ASP H . . 4.360 2.755 1.845 3.768 . 0 0 "[ . 1 . 2]" 2
186 1 11 GLY H 1 12 VAL H . . 4.740 4.097 2.976 4.608 . 0 0 "[ . 1 . 2]" 2
187 1 12 VAL H 1 13 ASP H . . 5.290 4.315 2.323 4.644 . 0 0 "[ . 1 . 2]" 2
188 1 14 ASN H 1 15 TRP H . . 3.880 2.791 1.929 3.410 . 0 0 "[ . 1 . 2]" 2
189 1 15 TRP H 1 16 LYS H . . 4.510 4.207 2.692 4.508 . 0 0 "[ . 1 . 2]" 2
190 1 32 LEU H 1 40 TRP HA . . 4.770 3.358 3.059 3.683 . 0 0 "[ . 1 . 2]" 2
191 1 38 GLY H 1 39 VAL H . . 2.860 2.150 1.797 2.592 . 0 0 "[ . 1 . 2]" 2
192 1 46 ILE H 1 47 GLY H . . 3.070 2.584 2.337 2.912 . 0 0 "[ . 1 . 2]" 2
193 1 47 GLY H 1 48 ILE H . . 2.840 2.491 1.923 2.881 0.041 19 0 "[ . 1 . 2]" 2
194 1 64 ILE H 1 65 GLU H . . 3.460 2.969 2.645 3.107 . 0 0 "[ . 1 . 2]" 2
195 1 65 GLU H 1 66 LEU H . . 2.410 2.325 2.190 2.418 0.008 14 0 "[ . 1 . 2]" 2
196 1 15 TRP HA 1 40 TRP HE1 . . 4.020 3.039 1.920 4.039 0.019 12 0 "[ . 1 . 2]" 2
197 1 15 TRP H 1 15 TRP HB2 . . 3.810 2.871 2.320 3.777 . 0 0 "[ . 1 . 2]" 2
198 1 57 LYS H 1 58 PHE H . . 4.710 4.299 4.012 4.403 . 0 0 "[ . 1 . 2]" 2
199 1 31 MET H 1 32 LEU H . . 4.990 4.407 4.376 4.444 . 0 0 "[ . 1 . 2]" 2
200 1 37 CYS HB2 1 38 GLY H . . 5.010 2.886 1.894 3.617 . 0 0 "[ . 1 . 2]" 2
201 1 41 HIS HB3 1 42 HIS H . . 4.480 2.897 2.496 3.385 . 0 0 "[ . 1 . 2]" 2
202 1 44 ARG HB2 1 45 CYS H . . 4.490 3.583 2.312 4.058 . 0 0 "[ . 1 . 2]" 2
203 1 45 CYS H 1 47 GLY H . . 4.660 4.041 3.808 4.456 . 0 0 "[ . 1 . 2]" 2
204 1 52 ASP H 1 53 ALA H . . 4.800 4.511 3.957 4.649 . 0 0 "[ . 1 . 2]" 2
205 1 64 ILE H 1 66 LEU H . . 5.060 4.276 3.852 4.476 . 0 0 "[ . 1 . 2]" 2
206 1 60 CYS HB2 1 62 ARG H . . 4.890 3.417 2.947 4.237 . 0 0 "[ . 1 . 2]" 2
207 1 66 LEU H 1 67 SER H . . 3.030 2.769 2.710 2.822 . 0 0 "[ . 1 . 2]" 2
208 1 34 CYS HB2 1 60 CYS H . . 4.070 3.182 2.367 3.872 . 0 0 "[ . 1 . 2]" 2
209 1 55 PRO HG2 1 57 LYS H . . 4.480 4.314 3.905 4.486 0.006 18 0 "[ . 1 . 2]" 2
210 1 55 PRO HA 1 57 LYS H . . 4.500 4.104 3.825 4.433 . 0 0 "[ . 1 . 2]" 2
211 1 42 HIS HA 1 44 ARG H . . 5.500 3.758 3.347 4.320 . 0 0 "[ . 1 . 2]" 2
212 1 32 LEU H 1 43 THR H . . 4.980 4.150 3.298 4.608 . 0 0 "[ . 1 . 2]" 2
213 1 32 LEU HG 1 33 ALA H . . 4.630 3.833 2.829 4.170 . 0 0 "[ . 1 . 2]" 2
214 1 19 CYS HB2 1 23 THR H . . 4.780 4.278 3.670 4.549 . 0 0 "[ . 1 . 2]" 2
215 1 23 THR H 1 42 HIS HE1 . . 4.560 4.120 3.265 4.533 . 0 0 "[ . 1 . 2]" 2
216 1 23 THR H 1 24 LYS H . . 4.580 4.443 4.136 4.551 . 0 0 "[ . 1 . 2]" 2
217 1 19 CYS HB2 1 21 CYS H . . 5.500 4.419 4.022 4.630 . 0 0 "[ . 1 . 2]" 2
218 1 33 ALA MB 1 38 GLY HA2 . . 4.680 2.783 2.231 3.430 . 0 0 "[ . 1 . 2]" 2
219 1 33 ALA MB 1 38 GLY HA3 . . 4.680 3.884 3.232 4.575 . 0 0 "[ . 1 . 2]" 2
220 1 32 LEU HB2 1 43 THR MG . . 4.570 3.988 2.210 4.296 . 0 0 "[ . 1 . 2]" 2
221 1 32 LEU HB3 1 33 ALA H . . 4.760 4.266 4.184 4.363 . 0 0 "[ . 1 . 2]" 2
222 1 68 GLY HA2 1 69 PRO QD . . 3.710 2.768 1.879 3.471 . 0 0 "[ . 1 . 2]" 2
223 1 68 GLY HA3 1 69 PRO QD . . 3.710 2.348 1.878 3.388 . 0 0 "[ . 1 . 2]" 2
224 1 30 ARG HB2 1 30 ARG QD . . 3.470 2.478 2.079 3.111 . 0 0 "[ . 1 . 2]" 2
225 1 30 ARG HB3 1 30 ARG QD . . 3.470 2.797 2.230 3.486 0.016 1 0 "[ . 1 . 2]" 2
226 1 30 ARG QD 1 54 LEU MD1 . . 4.610 3.292 2.133 4.539 . 0 0 "[ . 1 . 2]" 2
227 1 30 ARG QD 1 54 LEU MD2 . . 4.610 3.339 1.940 4.592 . 0 0 "[ . 1 . 2]" 2
228 1 25 ASP HB2 1 26 ASP H . . 4.410 2.898 2.096 3.992 . 0 0 "[ . 1 . 2]" 2
229 1 24 LYS QE 1 24 LYS QG . . 3.320 2.282 2.033 2.601 . 0 0 "[ . 1 . 2]" 2
230 1 35 ASP H 1 35 ASP HB2 . . 3.720 2.437 2.176 3.576 . 0 0 "[ . 1 . 2]" 2
231 1 66 LEU H 1 66 LEU HB2 . . 3.580 2.454 2.162 2.779 . 0 0 "[ . 1 . 2]" 2
232 1 48 ILE HA 1 52 ASP QB . . 4.900 3.770 2.678 4.718 . 0 0 "[ . 1 . 2]" 2
233 1 52 ASP QB 1 53 ALA HA . . 5.450 4.460 4.070 4.722 . 0 0 "[ . 1 . 2]" 2
234 1 48 ILE MG 1 52 ASP QB . . 3.480 2.650 2.017 3.481 0.001 7 0 "[ . 1 . 2]" 2
235 1 32 LEU MD2 1 58 PHE HB2 . . 5.080 4.365 2.444 4.861 . 0 0 "[ . 1 . 2]" 2
236 1 32 LEU MD1 1 58 PHE HB2 . . 5.080 2.505 2.064 3.767 . 0 0 "[ . 1 . 2]" 2
237 1 32 LEU MD1 1 58 PHE HB3 . . 5.080 2.280 1.788 3.102 . 0 0 "[ . 1 . 2]" 2
238 1 17 VAL MG2 1 26 ASP HB3 . . 5.500 4.523 2.644 5.499 . 0 0 "[ . 1 . 2]" 2
239 1 31 MET HB2 1 40 TRP HE3 . . 3.630 2.526 2.008 3.415 . 0 0 "[ . 1 . 2]" 2
240 1 48 ILE H 1 48 ILE HB . . 3.730 2.747 2.423 2.987 . 0 0 "[ . 1 . 2]" 2
241 1 43 THR HB 1 48 ILE HB . . 3.380 2.299 1.975 2.785 . 0 0 "[ . 1 . 2]" 2
242 1 43 THR MG 1 48 ILE HB . . 3.970 3.693 3.051 3.974 0.004 18 0 "[ . 1 . 2]" 2
243 1 48 ILE HB 1 48 ILE MD . . 3.520 2.763 2.096 3.227 . 0 0 "[ . 1 . 2]" 2
244 1 64 ILE HB 1 64 ILE MD . . 3.510 2.655 2.124 3.230 . 0 0 "[ . 1 . 2]" 2
245 1 46 ILE HB 1 46 ILE MD . . 3.530 2.333 2.214 2.422 . 0 0 "[ . 1 . 2]" 2
246 1 61 PHE HA 1 64 ILE HB . . 3.750 3.034 2.195 3.643 . 0 0 "[ . 1 . 2]" 2
247 1 65 GLU H 1 65 GLU HG2 . . 4.980 3.662 2.110 4.533 . 0 0 "[ . 1 . 2]" 2
248 1 29 GLU H 1 29 GLU HG3 . . 4.120 3.376 2.370 4.091 . 0 0 "[ . 1 . 2]" 2
249 1 16 LYS HB2 1 39 VAL MG1 . . 5.330 3.925 2.513 5.331 0.001 14 0 "[ . 1 . 2]" 2
250 1 24 LYS H 1 24 LYS HB3 . . 4.160 2.859 2.203 3.320 . 0 0 "[ . 1 . 2]" 2
251 1 17 VAL HB 1 25 ASP HA . . 4.440 3.586 2.648 4.442 0.002 20 0 "[ . 1 . 2]" 2
252 1 17 VAL HB 1 31 MET ME . . 4.290 3.771 2.391 4.298 0.008 11 0 "[ . 1 . 2]" 2
253 1 37 CYS H 1 37 CYS HB2 . . 4.160 3.340 2.750 3.674 . 0 0 "[ . 1 . 2]" 2
254 1 31 MET H 1 31 MET HG2 . . 4.540 4.110 3.786 4.477 . 0 0 "[ . 1 . 2]" 2
255 1 31 MET HG2 1 42 HIS HD2 . . 4.240 2.735 2.031 3.897 . 0 0 "[ . 1 . 2]" 2
256 1 31 MET HG3 1 42 HIS HD2 . . 4.240 3.075 2.156 3.725 . 0 0 "[ . 1 . 2]" 2
257 1 42 HIS H 1 42 HIS HB2 . . 3.930 2.451 2.210 2.918 . 0 0 "[ . 1 . 2]" 2
258 1 42 HIS HB2 1 45 CYS HB3 . . 3.900 3.069 1.975 3.689 . 0 0 "[ . 1 . 2]" 2
259 1 34 CYS H 1 34 CYS HB3 . . 3.480 2.292 2.221 2.375 . 0 0 "[ . 1 . 2]" 2
260 1 34 CYS HB3 1 39 VAL H . . 3.460 2.085 1.895 2.621 . 0 0 "[ . 1 . 2]" 2
261 1 34 CYS HB3 1 38 GLY H . . 3.530 2.385 1.890 2.885 . 0 0 "[ . 1 . 2]" 2
262 1 34 CYS H 1 34 CYS HB2 . . 4.050 2.910 2.726 3.181 . 0 0 "[ . 1 . 2]" 2
263 1 34 CYS HB2 1 60 CYS HB3 . . 3.740 2.781 2.124 3.587 . 0 0 "[ . 1 . 2]" 2
264 1 29 GLU H 1 29 GLU HB3 . . 4.160 3.676 3.571 3.830 . 0 0 "[ . 1 . 2]" 2
265 1 29 GLU HB3 1 42 HIS HD2 . . 4.140 3.374 2.509 4.145 0.005 11 0 "[ . 1 . 2]" 2
266 1 29 GLU HB2 1 30 ARG H . . 4.160 3.886 3.368 4.161 0.001 1 0 "[ . 1 . 2]" 2
267 1 19 CYS H 1 19 CYS HB3 . . 3.970 2.862 2.463 3.123 . 0 0 "[ . 1 . 2]" 2
268 1 40 TRP H 1 40 TRP HB3 . . 3.940 3.607 3.582 3.676 . 0 0 "[ . 1 . 2]" 2
269 1 17 VAL HA 1 40 TRP HB3 . . 4.390 3.908 3.498 4.232 . 0 0 "[ . 1 . 2]" 2
270 1 42 HIS HB2 1 45 CYS HB2 . . 3.900 2.340 1.954 3.823 . 0 0 "[ . 1 . 2]" 2
271 1 65 GLU HB2 1 66 LEU H . . 4.180 2.848 2.535 3.733 . 0 0 "[ . 1 . 2]" 2
272 1 16 LYS HA 1 16 LYS QD . . 4.490 3.529 2.324 4.201 . 0 0 "[ . 1 . 2]" 2
273 1 59 LEU HG 1 63 CYS HB3 . . 5.500 4.247 2.645 5.081 . 0 0 "[ . 1 . 2]" 2
274 1 59 LEU MD1 1 63 CYS HB3 . . 5.780 2.959 1.883 5.405 . 0 0 "[ . 1 . 2]" 2
275 1 59 LEU MD2 1 63 CYS HB3 . . 5.780 3.347 2.031 4.972 . 0 0 "[ . 1 . 2]" 2
276 1 59 LEU HB3 1 63 CYS HB2 . . 4.530 2.696 2.016 3.349 . 0 0 "[ . 1 . 2]" 2
277 1 59 LEU HB3 1 63 CYS HB3 . . 4.530 2.734 1.985 3.843 . 0 0 "[ . 1 . 2]" 2
278 1 48 ILE MD 1 55 PRO HG3 . . 4.200 2.655 2.340 3.219 . 0 0 "[ . 1 . 2]" 2
279 1 48 ILE HG12 1 48 ILE MG . . 3.320 2.736 2.025 3.201 . 0 0 "[ . 1 . 2]" 2
280 1 48 ILE HG13 1 48 ILE MG . . 3.320 2.768 2.241 3.186 . 0 0 "[ . 1 . 2]" 2
281 1 30 ARG HA 1 30 ARG HG2 . . 4.000 3.372 2.819 3.863 . 0 0 "[ . 1 . 2]" 2
282 1 30 ARG HG3 1 43 THR MG . . 4.090 3.397 2.025 4.086 . 0 0 "[ . 1 . 2]" 2
283 1 66 LEU H 1 66 LEU HG . . 4.570 3.942 2.318 4.566 . 0 0 "[ . 1 . 2]" 2
284 1 32 LEU MD1 1 58 PHE QD . . 4.410 2.855 2.112 4.153 . 0 0 "[ . 1 . 2]" 2
285 1 54 LEU HA 1 54 LEU MD1 . . 4.360 3.876 3.513 4.116 . 0 0 "[ . 1 . 2]" 2
286 1 66 LEU HA 1 66 LEU MD1 . . 4.690 3.096 2.358 3.899 . 0 0 "[ . 1 . 2]" 2
287 1 36 GLY H 1 59 LEU MD1 . . 4.830 3.774 2.075 4.841 0.011 11 0 "[ . 1 . 2]" 2
288 1 59 LEU HA 1 59 LEU MD1 . . 4.200 3.021 1.970 3.930 . 0 0 "[ . 1 . 2]" 2
289 1 16 LYS H 1 16 LYS HG2 . . 4.810 3.876 2.757 4.642 . 0 0 "[ . 1 . 2]" 2
290 1 43 THR MG 1 44 ARG H . . 5.480 3.914 3.634 4.123 . 0 0 "[ . 1 . 2]" 2
291 1 39 VAL H 1 39 VAL MG1 . . 4.450 3.656 1.903 3.883 . 0 0 "[ . 1 . 2]" 2
292 1 16 LYS HB3 1 39 VAL MG1 . . 5.330 3.229 2.198 4.235 . 0 0 "[ . 1 . 2]" 2
293 1 16 LYS QD 1 39 VAL MG1 . . 4.790 4.036 3.171 4.606 . 0 0 "[ . 1 . 2]" 2
294 1 43 THR H 1 43 THR MG . . 3.590 2.103 1.873 2.587 . 0 0 "[ . 1 . 2]" 2
295 1 43 THR HA 1 43 THR MG . . 3.340 2.345 2.115 2.506 . 0 0 "[ . 1 . 2]" 2
296 1 30 ARG QD 1 43 THR MG . . 4.090 3.255 2.338 4.095 0.005 7 0 "[ . 1 . 2]" 2
297 1 32 LEU HB3 1 43 THR MG . . 2.850 2.639 1.993 2.852 0.002 8 0 "[ . 1 . 2]" 2
298 1 32 LEU MD1 1 43 THR MG . . 3.950 3.199 2.615 3.627 . 0 0 "[ . 1 . 2]" 2
299 1 32 LEU H 1 43 THR MG . . 4.630 3.340 2.803 3.824 . 0 0 "[ . 1 . 2]" 2
300 1 30 ARG HG2 1 43 THR MG . . 4.090 2.470 2.086 3.311 . 0 0 "[ . 1 . 2]" 2
301 1 43 THR MG 1 46 ILE MD . . 4.370 3.033 2.624 3.617 . 0 0 "[ . 1 . 2]" 2
302 1 59 LEU HA 1 59 LEU MD2 . . 4.200 2.567 1.979 3.730 . 0 0 "[ . 1 . 2]" 2
303 1 59 LEU MD2 1 63 CYS HB2 . . 5.780 3.889 2.609 5.219 . 0 0 "[ . 1 . 2]" 2
304 1 32 LEU MD2 1 58 PHE QD . . 4.410 3.535 2.558 4.001 . 0 0 "[ . 1 . 2]" 2
305 1 32 LEU MD2 1 43 THR MG . . 3.950 2.127 1.795 3.235 . 0 0 "[ . 1 . 2]" 2
306 1 54 LEU H 1 54 LEU MD2 . . 4.720 3.715 2.064 4.111 . 0 0 "[ . 1 . 2]" 2
307 1 54 LEU HA 1 54 LEU MD2 . . 4.360 2.413 2.022 3.494 . 0 0 "[ . 1 . 2]" 2
308 1 19 CYS HB2 1 23 THR HB . . 4.240 3.436 2.581 4.117 . 0 0 "[ . 1 . 2]" 2
309 1 23 THR HB 1 42 HIS HE1 . . 3.510 2.680 2.007 3.515 0.005 20 0 "[ . 1 . 2]" 2
310 1 19 CYS HB3 1 23 THR HB . . 3.720 3.118 2.647 3.449 . 0 0 "[ . 1 . 2]" 2
311 1 39 VAL MG2 1 40 TRP H . . 4.670 3.817 2.337 4.132 . 0 0 "[ . 1 . 2]" 2
312 1 63 CYS HA 1 66 LEU MD2 . . 4.690 3.421 1.997 4.482 . 0 0 "[ . 1 . 2]" 2
313 1 66 LEU HA 1 66 LEU MD2 . . 4.690 3.194 1.916 4.005 . 0 0 "[ . 1 . 2]" 2
314 1 23 THR MG 1 27 ASP H . . 4.110 3.257 2.581 4.074 . 0 0 "[ . 1 . 2]" 2
315 1 19 CYS HB3 1 23 THR MG . . 5.240 4.581 4.167 4.875 . 0 0 "[ . 1 . 2]" 2
316 1 23 THR MG 1 31 MET ME . . 5.130 3.007 2.309 4.201 . 0 0 "[ . 1 . 2]" 2
317 1 17 VAL H 1 17 VAL MG1 . . 4.240 3.343 1.898 3.934 . 0 0 "[ . 1 . 2]" 2
318 1 17 VAL MG1 1 25 ASP HA . . 4.230 3.282 1.988 4.230 . 0 0 "[ . 1 . 2]" 2
319 1 17 VAL MG1 1 40 TRP HB2 . . 4.650 2.717 1.779 4.067 . 0 0 "[ . 1 . 2]" 2
320 1 17 VAL MG1 1 26 ASP HB3 . . 5.500 4.446 2.746 5.492 . 0 0 "[ . 1 . 2]" 2
321 1 17 VAL HA 1 17 VAL MG1 . . 3.700 2.389 2.142 3.191 . 0 0 "[ . 1 . 2]" 2
322 1 12 VAL H 1 12 VAL MG2 . . 4.000 2.781 1.880 3.922 . 0 0 "[ . 1 . 2]" 2
323 1 23 THR HA 1 23 THR MG . . 3.460 2.368 2.234 2.481 . 0 0 "[ . 1 . 2]" 2
324 1 17 VAL HA 1 17 VAL MG2 . . 3.700 2.640 2.170 3.203 . 0 0 "[ . 1 . 2]" 2
325 1 17 VAL MG2 1 26 ASP HA . . 4.780 3.892 3.038 4.695 . 0 0 "[ . 1 . 2]" 2
326 1 17 VAL MG2 1 40 TRP HB2 . . 4.650 3.154 2.128 4.698 0.048 19 0 "[ . 1 . 2]" 2
327 1 17 VAL MG2 1 26 ASP H . . 5.470 3.498 2.782 4.445 . 0 0 "[ . 1 . 2]" 2
328 1 17 VAL MG2 1 31 MET ME . . 3.900 3.086 1.821 3.847 . 0 0 "[ . 1 . 2]" 2
329 1 43 THR HA 1 43 THR HB . . 3.020 2.474 2.373 2.569 . 0 0 "[ . 1 . 2]" 2
330 1 43 THR HA 1 48 ILE HB . . 4.270 3.367 2.910 4.125 . 0 0 "[ . 1 . 2]" 2
331 1 51 ALA MB 1 52 ASP H . . 4.560 2.660 2.156 3.702 . 0 0 "[ . 1 . 2]" 2
332 1 51 ALA MB 1 52 ASP HA . . 4.480 3.919 3.632 4.462 . 0 0 "[ . 1 . 2]" 2
333 1 52 ASP HA 1 53 ALA MB . . 4.860 3.955 3.802 4.114 . 0 0 "[ . 1 . 2]" 2
334 1 51 ALA MB 1 52 ASP QB . . 4.010 3.758 3.365 4.009 . 0 0 "[ . 1 . 2]" 2
335 1 63 CYS HA 1 66 LEU MD1 . . 4.690 3.578 1.934 4.705 0.015 15 0 "[ . 1 . 2]" 2
336 1 27 ASP H 1 31 MET ME . . 3.640 2.816 2.122 3.216 . 0 0 "[ . 1 . 2]" 2
337 1 26 ASP HA 1 31 MET ME . . 3.510 2.165 1.864 2.654 . 0 0 "[ . 1 . 2]" 2
338 1 31 MET ME 1 31 MET HG2 . . 3.990 2.925 1.991 3.319 . 0 0 "[ . 1 . 2]" 2
339 1 31 MET ME 1 31 MET HG3 . . 3.990 2.369 1.999 3.128 . 0 0 "[ . 1 . 2]" 2
340 1 17 VAL MG1 1 31 MET ME . . 3.900 2.219 1.797 3.587 . 0 0 "[ . 1 . 2]" 2
341 1 63 CYS HA 1 66 LEU HB2 . . 3.970 2.693 1.999 3.737 . 0 0 "[ . 1 . 2]" 2
342 1 63 CYS HA 1 66 LEU HG . . 4.410 4.099 3.180 4.433 0.023 4 0 "[ . 1 . 2]" 2
343 1 46 ILE MG 1 58 PHE QE . . 4.000 2.859 2.001 3.921 . 0 0 "[ . 1 . 2]" 2
344 1 46 ILE MG 1 58 PHE HZ . . 4.530 2.459 1.932 3.364 . 0 0 "[ . 1 . 2]" 2
345 1 46 ILE HA 1 46 ILE MG . . 3.720 2.307 2.174 2.446 . 0 0 "[ . 1 . 2]" 2
346 1 41 HIS HB3 1 46 ILE MG . . 4.120 2.458 1.964 4.031 . 0 0 "[ . 1 . 2]" 2
347 1 46 ILE MD 1 46 ILE MG . . 3.570 2.127 1.929 2.345 . 0 0 "[ . 1 . 2]" 2
348 1 41 HIS HB2 1 46 ILE MG . . 4.240 2.984 2.563 4.237 . 0 0 "[ . 1 . 2]" 2
349 1 33 ALA MB 1 34 CYS H . . 4.150 2.917 2.571 3.181 . 0 0 "[ . 1 . 2]" 2
350 1 33 ALA H 1 33 ALA MB . . 3.400 2.169 2.045 2.308 . 0 0 "[ . 1 . 2]" 2
351 1 33 ALA MB 1 40 TRP HE3 . . 4.760 4.152 3.542 4.573 . 0 0 "[ . 1 . 2]" 2
352 1 33 ALA MB 1 40 TRP HH2 . . 4.550 4.101 3.559 4.541 . 0 0 "[ . 1 . 2]" 2
353 1 39 VAL HA 1 39 VAL MG1 . . 3.690 2.470 2.210 3.195 . 0 0 "[ . 1 . 2]" 2
354 1 39 VAL HA 1 39 VAL MG2 . . 3.690 2.352 2.213 2.468 . 0 0 "[ . 1 . 2]" 2
355 1 64 ILE HA 1 64 ILE HG12 . . 3.960 2.809 2.451 3.546 . 0 0 "[ . 1 . 2]" 2
356 1 64 ILE HA 1 64 ILE HG13 . . 3.960 3.127 2.409 3.722 . 0 0 "[ . 1 . 2]" 2
357 1 64 ILE HA 1 64 ILE MG . . 3.370 2.395 2.287 2.518 . 0 0 "[ . 1 . 2]" 2
358 1 64 ILE H 1 64 ILE MG . . 3.830 3.778 3.758 3.792 . 0 0 "[ . 1 . 2]" 2
359 1 43 THR HB 1 48 ILE MG . . 3.420 2.604 2.067 3.379 . 0 0 "[ . 1 . 2]" 2
360 1 48 ILE H 1 48 ILE MG . . 4.700 3.818 3.718 3.949 . 0 0 "[ . 1 . 2]" 2
361 1 48 ILE HA 1 48 ILE MG . . 3.210 2.404 2.204 2.529 . 0 0 "[ . 1 . 2]" 2
362 1 48 ILE MG 1 55 PRO HD3 . . 3.960 3.562 3.007 3.955 . 0 0 "[ . 1 . 2]" 2
363 1 46 ILE MD 1 58 PHE QD . . 4.690 3.407 2.768 4.045 . 0 0 "[ . 1 . 2]" 2
364 1 43 THR HA 1 46 ILE MD . . 4.210 2.097 1.881 2.518 . 0 0 "[ . 1 . 2]" 2
365 1 32 LEU MD1 1 46 ILE MD . . 4.060 2.759 2.150 3.949 . 0 0 "[ . 1 . 2]" 2
366 1 32 LEU MD2 1 46 ILE MD . . 4.060 1.936 1.708 2.227 . 0 0 "[ . 1 . 2]" 2
367 1 17 VAL HA 1 18 ASP H . . 3.490 2.432 2.140 3.458 . 0 0 "[ . 1 . 2]" 2
368 1 17 VAL HA 1 40 TRP HB2 . . 3.590 2.273 1.987 2.728 . 0 0 "[ . 1 . 2]" 2
369 1 48 ILE HA 1 48 ILE HG12 . . 3.830 2.814 2.241 3.488 . 0 0 "[ . 1 . 2]" 2
370 1 48 ILE HA 1 48 ILE HG13 . . 3.830 3.275 2.242 3.838 0.008 4 0 "[ . 1 . 2]" 2
371 1 48 ILE HA 1 48 ILE MD . . 3.590 2.950 1.911 3.771 0.181 19 0 "[ . 1 . 2]" 2
372 1 61 PHE HA 1 64 ILE MD . . 3.690 2.617 1.817 3.691 0.001 8 0 "[ . 1 . 2]" 2
373 1 61 PHE HA 1 64 ILE H . . 4.470 3.639 3.249 4.085 . 0 0 "[ . 1 . 2]" 2
374 1 61 PHE HA 1 61 PHE QD . . 3.990 3.179 2.399 3.729 . 0 0 "[ . 1 . 2]" 2
375 1 34 CYS HA 1 35 ASP H . . 3.230 2.156 2.138 2.202 . 0 0 "[ . 1 . 2]" 2
376 1 34 CYS HA 1 58 PHE QD . . 3.350 2.224 1.994 2.715 . 0 0 "[ . 1 . 2]" 2
377 1 64 ILE HA 1 64 ILE MD . . 3.860 3.169 1.975 3.857 . 0 0 "[ . 1 . 2]" 2
378 1 48 ILE MD 1 54 LEU HA . . 4.310 3.283 2.160 4.186 . 0 0 "[ . 1 . 2]" 2
379 1 43 THR HB 1 48 ILE MD . . 4.340 3.818 2.792 4.282 . 0 0 "[ . 1 . 2]" 2
380 1 43 THR HA 1 48 ILE MD . . 4.460 4.195 3.696 4.510 0.050 8 0 "[ . 1 . 2]" 2
381 1 46 ILE MD 1 48 ILE MD . . 4.000 2.471 1.855 3.973 . 0 0 "[ . 1 . 2]" 2
382 1 40 TRP HA 1 40 TRP HD1 . . 4.860 3.999 3.496 4.397 . 0 0 "[ . 1 . 2]" 2
383 1 64 ILE MG 1 65 GLU HA . . 4.490 3.500 3.226 3.667 . 0 0 "[ . 1 . 2]" 2
384 1 8 MET HA 1 9 GLU HA . . 4.770 4.416 4.293 4.589 . 0 0 "[ . 1 . 2]" 2
385 1 58 PHE QE 1 60 CYS HA . . 3.850 3.342 2.922 3.763 . 0 0 "[ . 1 . 2]" 2
386 1 58 PHE HZ 1 60 CYS HA . . 4.180 3.020 2.339 3.847 . 0 0 "[ . 1 . 2]" 2
387 1 9 GLU HA 1 9 GLU QG . . 3.790 2.878 2.254 3.504 . 0 0 "[ . 1 . 2]" 2
388 1 66 LEU HA 1 66 LEU HG . . 3.800 2.954 2.245 3.730 . 0 0 "[ . 1 . 2]" 2
389 1 26 ASP HA 1 27 ASP HA . . 4.670 4.417 4.381 4.468 . 0 0 "[ . 1 . 2]" 2
390 1 49 ASN HA 1 50 ASN HA . . 4.980 4.337 4.292 4.888 . 0 0 "[ . 1 . 2]" 2
391 1 31 MET HA 1 43 THR H . . 3.660 2.447 2.077 2.720 . 0 0 "[ . 1 . 2]" 2
392 1 31 MET HA 1 42 HIS HA . . 3.570 2.894 2.004 3.430 . 0 0 "[ . 1 . 2]" 2
393 1 31 MET HA 1 43 THR MG . . 4.020 2.442 1.979 3.231 . 0 0 "[ . 1 . 2]" 2
394 1 17 VAL MG1 1 26 ASP HA . . 4.780 3.371 2.564 4.246 . 0 0 "[ . 1 . 2]" 2
395 1 54 LEU HA 1 55 PRO HD3 . . 3.210 2.272 2.253 2.361 . 0 0 "[ . 1 . 2]" 2
396 1 54 LEU HA 1 54 LEU HG . . 4.060 2.965 2.571 3.723 . 0 0 "[ . 1 . 2]" 2
397 1 17 VAL MG2 1 25 ASP HA . . 4.230 3.076 1.929 4.227 . 0 0 "[ . 1 . 2]" 2
398 1 48 ILE MD 1 55 PRO HD3 . . 3.780 2.185 1.781 2.931 . 0 0 "[ . 1 . 2]" 2
399 1 54 LEU HA 1 55 PRO HD2 . . 3.190 2.167 2.004 2.532 . 0 0 "[ . 1 . 2]" 2
400 1 48 ILE MD 1 55 PRO HD2 . . 4.030 3.033 2.333 3.587 . 0 0 "[ . 1 . 2]" 2
401 1 32 LEU MD2 1 55 PRO HD2 . . 4.730 4.339 2.792 4.735 0.005 3 0 "[ . 1 . 2]" 2
402 1 33 ALA HA 1 34 CYS H . . 3.440 2.209 2.143 2.318 . 0 0 "[ . 1 . 2]" 2
403 1 33 ALA HA 1 40 TRP HA . . 3.480 2.276 1.996 2.906 . 0 0 "[ . 1 . 2]" 2
404 1 54 LEU MD2 1 55 PRO HD2 . . 4.830 2.760 2.058 4.374 . 0 0 "[ . 1 . 2]" 2
405 1 32 LEU MD1 1 55 PRO HD2 . . 4.730 2.651 1.932 2.995 . 0 0 "[ . 1 . 2]" 2
406 1 12 VAL HB 1 13 ASP H . . 4.560 3.652 2.191 4.291 . 0 0 "[ . 1 . 2]" 2
407 1 12 VAL MG1 1 13 ASP QB . . 5.500 4.437 3.116 5.496 . 0 0 "[ . 1 . 2]" 2
408 1 12 VAL MG2 1 13 ASP QB . . 5.500 4.712 2.385 5.512 0.012 7 0 "[ . 1 . 2]" 2
409 1 15 TRP HB3 1 16 LYS H . . 4.790 3.555 2.212 4.436 . 0 0 "[ . 1 . 2]" 2
410 1 16 LYS H 1 16 LYS HG3 . . 4.810 3.635 2.242 4.571 . 0 0 "[ . 1 . 2]" 2
411 1 17 VAL MG1 1 26 ASP HB2 . . 5.500 4.330 2.851 5.497 . 0 0 "[ . 1 . 2]" 2
412 1 19 CYS HB3 1 42 HIS H . . 5.230 4.590 4.060 5.169 . 0 0 "[ . 1 . 2]" 2
413 1 19 CYS H 1 19 CYS HB2 . . 4.030 2.872 2.297 3.385 . 0 0 "[ . 1 . 2]" 2
414 1 19 CYS HB2 1 42 HIS H . . 5.220 3.526 2.988 4.265 . 0 0 "[ . 1 . 2]" 2
415 1 20 LYS HB2 1 21 CYS H . . 4.490 3.889 3.693 4.284 . 0 0 "[ . 1 . 2]" 2
416 1 23 THR HA 1 25 ASP H . . 4.480 3.800 3.441 4.208 . 0 0 "[ . 1 . 2]" 2
417 1 24 LYS QG 1 25 ASP HB3 . . 5.500 3.207 2.391 4.506 . 0 0 "[ . 1 . 2]" 2
418 1 24 LYS QG 1 25 ASP HB2 . . 5.500 3.842 2.929 4.788 . 0 0 "[ . 1 . 2]" 2
419 1 17 VAL MG2 1 26 ASP HB2 . . 5.500 4.341 2.262 5.472 . 0 0 "[ . 1 . 2]" 2
420 1 23 THR MG 1 27 ASP HB2 . . 4.590 3.102 2.062 4.084 . 0 0 "[ . 1 . 2]" 2
421 1 23 THR MG 1 27 ASP HB3 . . 4.590 3.746 2.508 4.579 . 0 0 "[ . 1 . 2]" 2
422 1 30 ARG HB2 1 43 THR MG . . 4.790 4.399 3.798 4.792 0.002 18 0 "[ . 1 . 2]" 2
423 1 30 ARG HB3 1 43 THR MG . . 4.790 3.193 2.418 3.751 . 0 0 "[ . 1 . 2]" 2
424 1 30 ARG H 1 30 ARG HG2 . . 4.760 4.502 4.165 4.637 . 0 0 "[ . 1 . 2]" 2
425 1 30 ARG HA 1 30 ARG QD . . 4.610 3.507 2.002 4.271 . 0 0 "[ . 1 . 2]" 2
426 1 31 MET H 1 31 MET HG3 . . 4.540 3.349 2.784 3.852 . 0 0 "[ . 1 . 2]" 2
427 1 32 LEU HB2 1 33 ALA H . . 4.610 3.206 3.023 3.900 . 0 0 "[ . 1 . 2]" 2
428 1 32 LEU HB3 1 46 ILE MD . . 4.970 4.332 2.943 4.737 . 0 0 "[ . 1 . 2]" 2
429 1 33 ALA MB 1 40 TRP HA . . 4.850 3.553 2.860 4.131 . 0 0 "[ . 1 . 2]" 2
430 1 33 ALA MB 1 40 TRP HD1 . . 5.060 3.872 2.912 4.924 . 0 0 "[ . 1 . 2]" 2
431 1 34 CYS HA 1 59 LEU HA . . 4.830 4.082 3.449 4.663 . 0 0 "[ . 1 . 2]" 2
432 1 34 CYS HB3 1 60 CYS HB3 . . 4.450 3.704 3.222 4.297 . 0 0 "[ . 1 . 2]" 2
433 1 34 CYS HB3 1 58 PHE QD . . 5.000 4.426 3.888 4.967 . 0 0 "[ . 1 . 2]" 2
434 1 34 CYS HB3 1 58 PHE QE . . 5.300 4.221 3.394 4.823 . 0 0 "[ . 1 . 2]" 2
435 1 34 CYS HB2 1 58 PHE QD . . 4.830 3.051 2.404 3.696 . 0 0 "[ . 1 . 2]" 2
436 1 34 CYS HB2 1 58 PHE QE . . 5.060 2.718 2.122 3.322 . 0 0 "[ . 1 . 2]" 2
437 1 34 CYS HB2 1 41 HIS HD2 . . 5.230 4.056 2.524 5.184 . 0 0 "[ . 1 . 2]" 2
438 1 16 LYS HB2 1 39 VAL HA . . 4.840 3.342 1.997 4.773 . 0 0 "[ . 1 . 2]" 2
439 1 39 VAL HA 1 40 TRP HB2 . . 4.770 4.627 4.475 4.762 . 0 0 "[ . 1 . 2]" 2
440 1 40 TRP HB3 1 41 HIS H . . 4.820 3.120 2.358 4.025 . 0 0 "[ . 1 . 2]" 2
441 1 31 MET ME 1 42 HIS HA . . 5.200 4.573 4.073 4.991 . 0 0 "[ . 1 . 2]" 2
442 1 41 HIS HB3 1 42 HIS HB2 . . 4.840 4.593 4.141 4.878 0.038 11 0 "[ . 1 . 2]" 2
443 1 42 HIS HA 1 43 THR MG . . 5.090 3.842 3.475 4.140 . 0 0 "[ . 1 . 2]" 2
444 1 43 THR HA 1 46 ILE HB . . 5.040 4.684 2.312 4.975 . 0 0 "[ . 1 . 2]" 2
445 1 46 ILE HB 1 58 PHE QE . . 5.010 3.165 2.254 4.365 . 0 0 "[ . 1 . 2]" 2
446 1 48 ILE H 1 48 ILE MD . . 5.090 3.503 1.916 4.679 . 0 0 "[ . 1 . 2]" 2
447 1 64 ILE MD 1 65 GLU H . . 4.920 4.527 3.416 4.798 . 0 0 "[ . 1 . 2]" 2
448 1 53 ALA HA 1 54 LEU HG . . 4.550 3.878 3.507 4.142 . 0 0 "[ . 1 . 2]" 2
449 1 56 SER QB 1 57 LYS HG2 . . 5.500 3.935 2.827 5.392 . 0 0 "[ . 1 . 2]" 2
450 1 56 SER QB 1 57 LYS HG3 . . 5.500 3.991 2.529 4.910 . 0 0 "[ . 1 . 2]" 2
451 1 57 LYS HG3 1 58 PHE H . . 5.430 4.650 3.591 5.391 . 0 0 "[ . 1 . 2]" 2
452 1 32 LEU HG 1 58 PHE HB2 . . 5.060 4.530 3.940 5.055 . 0 0 "[ . 1 . 2]" 2
453 1 32 LEU HG 1 58 PHE HB3 . . 5.060 3.641 2.963 3.986 . 0 0 "[ . 1 . 2]" 2
454 1 59 LEU HB3 1 60 CYS H . . 4.720 3.331 2.676 3.853 . 0 0 "[ . 1 . 2]" 2
455 1 59 LEU HB2 1 63 CYS HB3 . . 5.380 4.388 3.362 5.387 0.007 8 0 "[ . 1 . 2]" 2
456 1 59 LEU H 1 59 LEU HG . . 4.570 3.752 2.719 4.503 . 0 0 "[ . 1 . 2]" 2
457 1 59 LEU H 1 59 LEU MD1 . . 5.370 3.804 2.505 4.287 . 0 0 "[ . 1 . 2]" 2
458 1 59 LEU H 1 60 CYS HA . . 5.500 4.947 4.640 5.124 . 0 0 "[ . 1 . 2]" 2
459 1 60 CYS HA 1 61 PHE QD . . 5.500 3.988 3.599 4.802 . 0 0 "[ . 1 . 2]" 2
460 1 65 GLU H 1 65 GLU HG3 . . 4.980 3.486 2.593 4.405 . 0 0 "[ . 1 . 2]" 2
461 1 16 LYS HB2 1 39 VAL MG2 . . 5.330 3.279 2.023 4.664 . 0 0 "[ . 1 . 2]" 2
462 1 16 LYS HB3 1 39 VAL HA . . 4.840 3.358 2.028 4.665 . 0 0 "[ . 1 . 2]" 2
463 1 16 LYS HB3 1 39 VAL MG2 . . 5.330 2.919 2.111 3.733 . 0 0 "[ . 1 . 2]" 2
464 1 16 LYS QD 1 39 VAL MG2 . . 4.790 3.068 1.983 4.319 . 0 0 "[ . 1 . 2]" 2
465 1 19 CYS HB2 1 41 HIS HA . . 4.230 3.412 2.389 4.138 . 0 0 "[ . 1 . 2]" 2
466 1 41 HIS HA 1 42 HIS HA . . 4.420 4.316 4.299 4.356 . 0 0 "[ . 1 . 2]" 2
467 1 48 ILE HB 1 55 PRO HD3 . . 5.500 5.263 4.132 5.507 0.007 18 0 "[ . 1 . 2]" 2
468 1 27 ASP HA 1 31 MET ME . . 5.500 5.206 4.641 5.501 0.001 5 0 "[ . 1 . 2]" 2
469 1 31 MET ME 1 40 TRP HE3 . . 5.460 4.945 3.909 5.435 . 0 0 "[ . 1 . 2]" 2
470 1 15 TRP HA 1 15 TRP HD1 . . 4.680 3.760 2.170 4.719 0.039 12 0 "[ . 1 . 2]" 2
471 1 15 TRP H 1 15 TRP HD1 . . 4.420 3.447 1.897 4.589 0.169 13 0 "[ . 1 . 2]" 2
472 1 31 MET ME 1 42 HIS HD2 . . 3.620 3.265 2.506 3.593 . 0 0 "[ . 1 . 2]" 2
473 1 29 GLU HB2 1 42 HIS HD2 . . 3.400 2.617 2.081 3.138 . 0 0 "[ . 1 . 2]" 2
474 1 42 HIS HA 1 42 HIS HD2 . . 3.970 2.629 2.197 3.618 . 0 0 "[ . 1 . 2]" 2
475 1 29 GLU H 1 42 HIS HD2 . . 5.310 4.524 3.815 5.180 . 0 0 "[ . 1 . 2]" 2
476 1 23 THR MG 1 42 HIS HE1 . . 3.690 3.088 2.209 3.722 0.032 11 0 "[ . 1 . 2]" 2
477 1 46 ILE MG 1 58 PHE QD . . 5.500 4.235 3.421 5.429 . 0 0 "[ . 1 . 2]" 2
478 1 32 LEU HG 1 58 PHE QD . . 3.780 2.912 2.268 3.783 0.003 10 0 "[ . 1 . 2]" 2
479 1 58 PHE HA 1 58 PHE QD . . 3.590 2.810 2.232 3.230 . 0 0 "[ . 1 . 2]" 2
480 1 58 PHE QD 1 59 LEU H . . 4.080 3.143 2.463 3.740 . 0 0 "[ . 1 . 2]" 2
481 1 35 ASP H 1 58 PHE QD . . 4.810 3.748 3.127 4.144 . 0 0 "[ . 1 . 2]" 2
482 1 46 ILE MD 1 58 PHE QE . . 4.690 3.122 2.267 3.749 . 0 0 "[ . 1 . 2]" 2
483 1 32 LEU HG 1 58 PHE QE . . 4.840 3.826 2.903 4.841 0.001 18 0 "[ . 1 . 2]" 2
484 1 34 CYS HA 1 58 PHE QE . . 4.190 3.705 3.034 4.064 . 0 0 "[ . 1 . 2]" 2
485 1 41 HIS HD2 1 58 PHE QE . . 4.370 3.457 2.184 4.358 . 0 0 "[ . 1 . 2]" 2
486 1 40 TRP HB2 1 40 TRP HD1 . . 3.580 2.755 2.597 2.956 . 0 0 "[ . 1 . 2]" 2
487 1 39 VAL HA 1 40 TRP HD1 . . 4.100 3.453 2.752 4.112 0.012 12 0 "[ . 1 . 2]" 2
488 1 16 LYS H 1 40 TRP HD1 . . 3.910 3.074 1.878 3.840 . 0 0 "[ . 1 . 2]" 2
489 1 40 TRP H 1 40 TRP HD1 . . 3.550 2.299 1.933 2.652 . 0 0 "[ . 1 . 2]" 2
490 1 33 ALA MB 1 40 TRP HZ2 . . 4.130 3.538 3.098 3.864 . 0 0 "[ . 1 . 2]" 2
491 1 33 ALA MB 1 40 TRP HZ3 . . 5.080 4.371 3.614 5.015 . 0 0 "[ . 1 . 2]" 2
492 1 32 LEU HA 1 40 TRP HZ3 . . 3.730 2.992 2.174 3.723 . 0 0 "[ . 1 . 2]" 2
493 1 33 ALA H 1 40 TRP HZ3 . . 4.720 3.728 2.625 4.597 . 0 0 "[ . 1 . 2]" 2
494 1 31 MET HB3 1 40 TRP HE3 . . 3.630 2.830 2.023 3.471 . 0 0 "[ . 1 . 2]" 2
495 1 40 TRP HB3 1 40 TRP HE3 . . 3.420 2.504 2.399 2.703 . 0 0 "[ . 1 . 2]" 2
496 1 40 TRP HA 1 40 TRP HE3 . . 4.850 3.448 2.791 4.074 . 0 0 "[ . 1 . 2]" 2
497 1 33 ALA H 1 40 TRP HE3 . . 4.160 3.591 2.634 4.161 0.001 19 0 "[ . 1 . 2]" 2
498 1 44 ARG H 1 44 ARG HG3 . . 4.710 3.625 2.090 4.492 . 0 0 "[ . 1 . 2]" 2
499 1 59 LEU HB2 1 63 CYS HB2 . . 5.380 4.349 3.543 5.027 . 0 0 "[ . 1 . 2]" 2
500 1 64 ILE HB 1 65 GLU HA . . 4.700 4.437 4.289 4.593 . 0 0 "[ . 1 . 2]" 2
501 1 29 GLU HG3 1 42 HIS HD2 . . 5.450 4.707 3.904 5.414 . 0 0 "[ . 1 . 2]" 2
502 1 44 ARG H 1 44 ARG HG2 . . 4.710 3.146 1.961 4.578 . 0 0 "[ . 1 . 2]" 2
503 1 54 LEU MD1 1 55 PRO HD2 . . 4.830 4.476 3.615 4.836 0.006 14 0 "[ . 1 . 2]" 2
504 1 10 ARG HA 1 10 ARG HD2 . . 5.500 3.988 2.757 5.503 0.003 5 0 "[ . 1 . 2]" 2
505 1 10 ARG HA 1 10 ARG HD3 . . 5.500 3.982 2.002 5.442 . 0 0 "[ . 1 . 2]" 2
506 1 42 HIS HD2 1 43 THR H . . 5.290 4.399 3.757 5.336 0.046 17 0 "[ . 1 . 2]" 2
507 1 19 CYS HB3 1 41 HIS HA . . 5.470 4.963 3.920 5.466 . 0 0 "[ . 1 . 2]" 2
508 1 24 LYS QG 1 25 ASP H . . 5.330 2.395 1.842 3.764 . 0 0 "[ . 1 . 2]" 2
509 1 29 GLU HG2 1 42 HIS HD2 . . 5.450 5.035 4.041 5.461 0.011 11 0 "[ . 1 . 2]" 2
510 1 33 ALA HA 1 41 HIS H . . 4.780 3.988 3.385 4.468 . 0 0 "[ . 1 . 2]" 2
511 1 34 CYS HB3 1 60 CYS H . . 4.940 4.182 3.572 4.630 . 0 0 "[ . 1 . 2]" 2
512 1 34 CYS HB3 1 35 ASP H . . 5.280 4.499 4.429 4.557 . 0 0 "[ . 1 . 2]" 2
513 1 34 CYS HB3 1 36 GLY H . . 5.340 4.295 3.926 4.591 . 0 0 "[ . 1 . 2]" 2
514 1 59 LEU HB2 1 60 CYS H . . 4.980 4.284 3.926 4.537 . 0 0 "[ . 1 . 2]" 2
515 1 59 LEU HB3 1 64 ILE H . . 5.160 3.385 2.731 4.110 . 0 0 "[ . 1 . 2]" 2
516 1 59 LEU HA 1 63 CYS HB2 . . 5.500 3.552 3.152 3.949 . 0 0 "[ . 1 . 2]" 2
517 1 59 LEU HA 1 63 CYS HB3 . . 5.500 4.066 3.176 4.934 . 0 0 "[ . 1 . 2]" 2
518 1 63 CYS HB2 1 64 ILE HA . . 5.500 4.522 4.214 4.740 . 0 0 "[ . 1 . 2]" 2
519 1 63 CYS HB3 1 64 ILE HA . . 5.500 4.071 3.853 4.429 . 0 0 "[ . 1 . 2]" 2
520 1 61 PHE HA 1 64 ILE HG12 . . 4.700 3.611 2.119 4.708 0.008 10 0 "[ . 1 . 2]" 2
521 1 61 PHE HA 1 64 ILE HG13 . . 4.700 3.008 2.175 4.610 . 0 0 "[ . 1 . 2]" 2
522 1 65 GLU HB3 1 66 LEU H . . 4.180 3.424 2.907 4.040 . 0 0 "[ . 1 . 2]" 2
523 1 34 CYS HB2 1 60 CYS HA . . 4.720 4.457 3.799 4.722 0.002 1 0 "[ . 1 . 2]" 2
524 1 59 LEU HB3 1 64 ILE HA . . 4.820 3.863 3.094 4.656 . 0 0 "[ . 1 . 2]" 2
525 1 59 LEU HG 1 63 CYS HB2 . . 5.500 4.850 3.345 5.534 0.034 18 0 "[ . 1 . 2]" 2
526 1 32 LEU MD2 1 58 PHE HB3 . . 5.080 4.256 1.961 4.832 . 0 0 "[ . 1 . 2]" 2
527 1 54 LEU HA 1 55 PRO HG3 . . 4.860 4.365 4.315 4.557 . 0 0 "[ . 1 . 2]" 2
528 1 54 LEU HG 1 55 PRO HD3 . . 5.500 5.132 4.572 5.415 . 0 0 "[ . 1 . 2]" 2
529 1 63 CYS HA 1 66 LEU HB3 . . 3.970 2.539 1.990 3.947 . 0 0 "[ . 1 . 2]" 2
530 1 15 TRP HA 1 40 TRP HD1 . . 4.520 3.817 2.372 4.539 0.019 12 0 "[ . 1 . 2]" 2
531 1 31 MET HA 1 42 HIS HD2 . . 5.260 4.565 3.931 5.260 . 0 0 "[ . 1 . 2]" 2
532 1 30 ARG HA 1 30 ARG HG3 . . 4.000 2.655 2.238 3.205 . 0 0 "[ . 1 . 2]" 2
533 1 34 CYS HB3 1 41 HIS HD2 . . 5.500 4.440 3.570 5.444 . 0 0 "[ . 1 . 2]" 2
534 1 33 ALA HA 1 41 HIS HD2 . . 5.480 4.639 3.716 5.139 . 0 0 "[ . 1 . 2]" 2
535 1 39 VAL HA 1 41 HIS HD2 . . 5.500 4.729 4.165 5.272 . 0 0 "[ . 1 . 2]" 2
536 1 40 TRP HA 1 41 HIS HD2 . . 5.100 3.897 2.690 4.593 . 0 0 "[ . 1 . 2]" 2
537 1 34 CYS H 1 41 HIS HD2 . . 5.310 4.252 3.356 4.966 . 0 0 "[ . 1 . 2]" 2
538 1 41 HIS H 1 41 HIS HD2 . . 4.810 3.618 2.924 4.396 . 0 0 "[ . 1 . 2]" 2
539 1 8 MET QB 1 9 GLU H . . 4.070 3.514 2.369 4.049 . 0 0 "[ . 1 . 2]" 2
540 1 9 GLU H 1 9 GLU QB . . 3.280 2.630 2.273 3.131 . 0 0 "[ . 1 . 2]" 2
541 1 10 ARG H 1 10 ARG QB . . 3.600 2.493 2.186 2.952 . 0 0 "[ . 1 . 2]" 2
542 1 10 ARG HA 1 10 ARG QD . . 4.720 3.448 1.963 4.408 . 0 0 "[ . 1 . 2]" 2
543 1 11 GLY QA 1 12 VAL H . . 3.080 2.202 2.111 2.526 . 0 0 "[ . 1 . 2]" 2
544 1 11 GLY QA 1 12 VAL QG . . 4.760 3.363 3.072 3.772 . 0 0 "[ . 1 . 2]" 2
545 1 12 VAL H 1 12 VAL QG . . 3.370 2.209 1.839 3.030 . 0 0 "[ . 1 . 2]" 2
546 1 12 VAL QG 1 13 ASP H . . 4.760 2.524 1.908 3.492 . 0 0 "[ . 1 . 2]" 2
547 1 12 VAL QG 1 17 VAL QG . . 2.550 2.316 1.719 2.568 0.018 19 0 "[ . 1 . 2]" 2
548 1 12 VAL QG 1 31 MET ME . . 5.210 4.972 4.382 5.206 . 0 0 "[ . 1 . 2]" 2
549 1 14 ASN H 1 14 ASN QB . . 3.610 2.428 2.159 2.703 . 0 0 "[ . 1 . 2]" 2
550 1 15 TRP H 1 15 TRP QB . . 3.210 2.596 2.291 2.988 . 0 0 "[ . 1 . 2]" 2
551 1 15 TRP QB 1 16 LYS H . . 4.130 3.191 2.032 3.965 . 0 0 "[ . 1 . 2]" 2
552 1 15 TRP QB 1 17 VAL QG . . 4.880 2.925 2.159 4.665 . 0 0 "[ . 1 . 2]" 2
553 1 15 TRP QB 1 40 TRP HD1 . . 4.350 2.804 2.187 3.888 . 0 0 "[ . 1 . 2]" 2
554 1 15 TRP QB 1 40 TRP HE1 . . 3.620 2.225 1.888 2.865 . 0 0 "[ . 1 . 2]" 2
555 1 15 TRP QB 1 40 TRP HZ2 . . 4.680 4.033 3.354 4.462 . 0 0 "[ . 1 . 2]" 2
556 1 15 TRP HD1 1 17 VAL QG . . 5.440 4.598 2.094 5.450 0.010 16 0 "[ . 1 . 2]" 2
557 1 16 LYS H 1 16 LYS QG . . 4.170 3.224 2.220 4.076 . 0 0 "[ . 1 . 2]" 2
558 1 16 LYS HA 1 16 LYS QG . . 3.710 2.408 2.182 2.822 . 0 0 "[ . 1 . 2]" 2
559 1 16 LYS QB 1 39 VAL HA . . 4.110 2.696 1.972 3.393 . 0 0 "[ . 1 . 2]" 2
560 1 16 LYS QB 1 39 VAL QG . . 3.410 2.445 1.876 3.329 . 0 0 "[ . 1 . 2]" 2
561 1 16 LYS QG 1 17 VAL H . . 5.150 4.056 2.767 4.617 . 0 0 "[ . 1 . 2]" 2
562 1 16 LYS QD 1 39 VAL QG . . 3.910 2.919 1.964 3.913 0.003 19 0 "[ . 1 . 2]" 2
563 1 16 LYS QE 1 39 VAL QG . . 4.230 3.820 2.522 4.220 . 0 0 "[ . 1 . 2]" 2
564 1 17 VAL H 1 17 VAL QG . . 3.470 2.277 1.841 2.852 . 0 0 "[ . 1 . 2]" 2
565 1 17 VAL HA 1 17 VAL QG . . 3.050 2.162 2.032 2.381 . 0 0 "[ . 1 . 2]" 2
566 1 17 VAL HA 1 39 VAL QG . . 3.690 3.241 2.712 3.692 0.002 7 0 "[ . 1 . 2]" 2
567 1 17 VAL QG 1 18 ASP H . . 4.150 3.209 2.453 3.733 . 0 0 "[ . 1 . 2]" 2
568 1 17 VAL QG 1 19 CYS H . . 4.950 4.465 3.763 4.959 0.009 20 0 "[ . 1 . 2]" 2
569 1 17 VAL QG 1 19 CYS HB2 . . 5.440 4.519 3.875 5.434 . 0 0 "[ . 1 . 2]" 2
570 1 17 VAL QG 1 23 THR HB . . 4.870 4.114 3.377 4.869 . 0 0 "[ . 1 . 2]" 2
571 1 17 VAL QG 1 23 THR MG . . 3.520 2.868 2.289 3.452 . 0 0 "[ . 1 . 2]" 2
572 1 17 VAL QG 1 25 ASP H . . 4.450 3.622 2.621 4.428 . 0 0 "[ . 1 . 2]" 2
573 1 17 VAL QG 1 25 ASP HA . . 3.650 2.534 1.922 3.382 . 0 0 "[ . 1 . 2]" 2
574 1 17 VAL QG 1 25 ASP QB . . 5.280 3.859 3.280 4.685 . 0 0 "[ . 1 . 2]" 2
575 1 17 VAL QG 1 26 ASP H . . 4.780 3.105 2.384 3.644 . 0 0 "[ . 1 . 2]" 2
576 1 17 VAL QG 1 26 ASP HA . . 3.980 3.101 2.438 3.591 . 0 0 "[ . 1 . 2]" 2
577 1 17 VAL QG 1 26 ASP QB . . 3.970 3.256 2.160 3.940 . 0 0 "[ . 1 . 2]" 2
578 1 17 VAL QG 1 40 TRP H . . 5.090 3.702 3.299 4.048 . 0 0 "[ . 1 . 2]" 2
579 1 17 VAL QG 1 40 TRP HB2 . . 3.220 2.276 1.778 2.714 . 0 0 "[ . 1 . 2]" 2
580 1 17 VAL QG 1 40 TRP HB3 . . 3.890 3.146 2.594 3.739 . 0 0 "[ . 1 . 2]" 2
581 1 17 VAL QG 1 40 TRP HD1 . . 5.440 3.025 2.022 4.027 . 0 0 "[ . 1 . 2]" 2
582 1 17 VAL QG 1 40 TRP HE3 . . 4.770 4.619 4.306 4.793 0.023 12 0 "[ . 1 . 2]" 2
583 1 18 ASP H 1 39 VAL QG . . 3.790 2.497 1.937 3.558 . 0 0 "[ . 1 . 2]" 2
584 1 18 ASP HA 1 39 VAL QG . . 4.460 4.268 3.644 4.472 0.012 20 0 "[ . 1 . 2]" 2
585 1 18 ASP QB 1 39 VAL QG . . 3.390 2.587 1.840 3.380 . 0 0 "[ . 1 . 2]" 2
586 1 19 CYS HB3 1 20 LYS QG . . 4.860 4.425 4.213 4.833 . 0 0 "[ . 1 . 2]" 2
587 1 20 LYS H 1 20 LYS QG . . 4.510 2.314 2.023 3.124 . 0 0 "[ . 1 . 2]" 2
588 1 20 LYS QB 1 20 LYS QD . . 2.690 2.147 2.034 2.271 . 0 0 "[ . 1 . 2]" 2
589 1 20 LYS QB 1 21 CYS H . . 3.830 3.497 3.367 3.734 . 0 0 "[ . 1 . 2]" 2
590 1 20 LYS QG 1 21 CYS H . . 3.850 2.161 1.959 2.703 . 0 0 "[ . 1 . 2]" 2
591 1 23 THR MG 1 25 ASP QB . . 5.340 4.157 3.008 4.593 . 0 0 "[ . 1 . 2]" 2
592 1 23 THR MG 1 27 ASP QB . . 3.960 2.875 2.043 3.756 . 0 0 "[ . 1 . 2]" 2
593 1 24 LYS QB 1 24 LYS QD . . 2.810 2.172 2.030 2.452 . 0 0 "[ . 1 . 2]" 2
594 1 24 LYS QB 1 25 ASP QB . . 5.180 4.187 3.674 4.729 . 0 0 "[ . 1 . 2]" 2
595 1 25 ASP QB 1 26 ASP H . . 3.540 2.595 2.076 3.481 . 0 0 "[ . 1 . 2]" 2
596 1 26 ASP QB 1 27 ASP H . . 4.150 3.610 2.786 3.987 . 0 0 "[ . 1 . 2]" 2
597 1 27 ASP H 1 27 ASP QB . . 3.680 2.351 2.184 2.724 . 0 0 "[ . 1 . 2]" 2
598 1 29 GLU H 1 29 GLU QG . . 3.350 2.808 2.222 3.306 . 0 0 "[ . 1 . 2]" 2
599 1 29 GLU QG 1 30 ARG H . . 4.750 4.113 3.731 4.620 . 0 0 "[ . 1 . 2]" 2
600 1 29 GLU QG 1 42 HIS HD2 . . 4.640 4.261 3.754 4.646 0.006 7 0 "[ . 1 . 2]" 2
601 1 30 ARG H 1 30 ARG QB . . 3.000 2.238 2.168 2.306 . 0 0 "[ . 1 . 2]" 2
602 1 30 ARG H 1 30 ARG QG . . 4.160 3.972 3.834 4.059 . 0 0 "[ . 1 . 2]" 2
603 1 30 ARG HA 1 30 ARG QG . . 3.260 2.548 2.195 3.057 . 0 0 "[ . 1 . 2]" 2
604 1 30 ARG QB 1 30 ARG QD . . 3.040 2.226 2.035 2.543 . 0 0 "[ . 1 . 2]" 2
605 1 30 ARG QB 1 31 MET H . . 3.690 3.495 3.322 3.715 0.025 5 0 "[ . 1 . 2]" 2
606 1 30 ARG QB 1 43 THR MG . . 4.120 3.117 2.392 3.612 . 0 0 "[ . 1 . 2]" 2
607 1 30 ARG QG 1 31 MET H . . 3.320 2.245 1.890 2.671 . 0 0 "[ . 1 . 2]" 2
608 1 30 ARG QG 1 43 THR MG . . 3.550 2.310 1.929 2.697 . 0 0 "[ . 1 . 2]" 2
609 1 30 ARG QD 1 54 LEU QD . . 3.950 2.848 1.816 3.933 . 0 0 "[ . 1 . 2]" 2
610 1 31 MET H 1 31 MET QB . . 3.650 2.753 2.631 2.877 . 0 0 "[ . 1 . 2]" 2
611 1 31 MET H 1 31 MET QG . . 3.960 3.199 2.744 3.634 . 0 0 "[ . 1 . 2]" 2
612 1 31 MET HA 1 31 MET QG . . 3.480 2.390 2.219 2.647 . 0 0 "[ . 1 . 2]" 2
613 1 31 MET HA 1 32 LEU QD . . 5.160 3.154 2.698 5.134 . 0 0 "[ . 1 . 2]" 2
614 1 31 MET QB 1 32 LEU H . . 3.410 2.327 2.064 2.699 . 0 0 "[ . 1 . 2]" 2
615 1 31 MET QB 1 32 LEU HA . . 4.550 3.967 3.843 4.115 . 0 0 "[ . 1 . 2]" 2
616 1 31 MET QB 1 40 TRP HB3 . . 4.300 2.079 1.932 2.486 . 0 0 "[ . 1 . 2]" 2
617 1 31 MET QB 1 42 HIS HA . . 4.580 3.825 3.217 4.269 . 0 0 "[ . 1 . 2]" 2
618 1 31 MET QB 1 43 THR H . . 4.470 4.331 4.143 4.491 0.021 11 0 "[ . 1 . 2]" 2
619 1 31 MET QB 1 43 THR MG . . 5.240 4.134 3.730 4.772 . 0 0 "[ . 1 . 2]" 2
620 1 31 MET ME 1 31 MET QG . . 3.370 2.123 1.965 2.266 . 0 0 "[ . 1 . 2]" 2
621 1 31 MET QG 1 32 LEU H . . 4.340 3.852 3.542 4.194 . 0 0 "[ . 1 . 2]" 2
622 1 31 MET QG 1 42 HIS H . . 5.170 3.638 3.180 4.440 . 0 0 "[ . 1 . 2]" 2
623 1 31 MET QG 1 42 HIS HA . . 3.290 2.183 1.980 3.093 . 0 0 "[ . 1 . 2]" 2
624 1 31 MET QG 1 42 HIS HD2 . . 3.640 2.482 1.986 2.893 . 0 0 "[ . 1 . 2]" 2
625 1 31 MET QG 1 43 THR H . . 4.800 3.425 2.902 4.176 . 0 0 "[ . 1 . 2]" 2
626 1 32 LEU H 1 32 LEU QD . . 3.630 2.098 1.872 3.773 0.143 18 0 "[ . 1 . 2]" 2
627 1 32 LEU HB2 1 54 LEU QD . . 4.800 3.043 2.248 4.250 . 0 0 "[ . 1 . 2]" 2
628 1 32 LEU HB3 1 54 LEU QD . . 4.650 2.541 1.999 3.806 . 0 0 "[ . 1 . 2]" 2
629 1 32 LEU HG 1 58 PHE QB . . 4.390 3.487 2.905 3.841 . 0 0 "[ . 1 . 2]" 2
630 1 32 LEU QD 1 33 ALA H . . 4.600 4.007 2.819 4.215 . 0 0 "[ . 1 . 2]" 2
631 1 32 LEU QD 1 43 THR HA . . 4.490 2.611 2.334 3.245 . 0 0 "[ . 1 . 2]" 2
632 1 32 LEU QD 1 43 THR MG . . 3.360 2.088 1.773 2.974 . 0 0 "[ . 1 . 2]" 2
633 1 32 LEU QD 1 46 ILE MG . . 4.570 2.889 2.164 3.525 . 0 0 "[ . 1 . 2]" 2
634 1 32 LEU QD 1 46 ILE MD . . 2.850 1.889 1.698 2.163 . 0 0 "[ . 1 . 2]" 2
635 1 32 LEU QD 1 54 LEU HA . . 5.190 3.964 3.007 4.478 . 0 0 "[ . 1 . 2]" 2
636 1 32 LEU QD 1 54 LEU QB . . 4.450 3.197 2.549 3.952 . 0 0 "[ . 1 . 2]" 2
637 1 32 LEU QD 1 54 LEU QD . . 3.960 2.501 2.109 3.218 . 0 0 "[ . 1 . 2]" 2
638 1 32 LEU QD 1 55 PRO HG2 . . 4.220 2.786 1.928 3.393 . 0 0 "[ . 1 . 2]" 2
639 1 32 LEU QD 1 55 PRO HG3 . . 4.420 3.442 2.566 3.946 . 0 0 "[ . 1 . 2]" 2
640 1 32 LEU QD 1 55 PRO HD2 . . 3.630 2.623 1.928 2.964 . 0 0 "[ . 1 . 2]" 2
641 1 32 LEU QD 1 55 PRO HD3 . . 4.080 3.776 2.695 4.081 0.001 11 0 "[ . 1 . 2]" 2
642 1 32 LEU QD 1 58 PHE QB . . 3.440 2.016 1.731 2.219 . 0 0 "[ . 1 . 2]" 2
643 1 32 LEU QD 1 58 PHE QE . . 4.610 3.247 2.797 3.654 . 0 0 "[ . 1 . 2]" 2
644 1 33 ALA MB 1 38 GLY QA . . 3.880 2.723 2.206 3.338 . 0 0 "[ . 1 . 2]" 2
645 1 34 CYS HA 1 58 PHE QB . . 4.160 3.440 3.083 4.100 . 0 0 "[ . 1 . 2]" 2
646 1 35 ASP H 1 35 ASP QB . . 3.210 2.246 2.129 2.452 . 0 0 "[ . 1 . 2]" 2
647 1 35 ASP H 1 59 LEU QD . . 4.600 3.984 3.313 4.435 . 0 0 "[ . 1 . 2]" 2
648 1 35 ASP QB 1 36 GLY H . . 3.670 2.729 2.570 3.499 . 0 0 "[ . 1 . 2]" 2
649 1 35 ASP QB 1 58 PHE H . . 3.600 2.827 2.229 3.599 . 0 0 "[ . 1 . 2]" 2
650 1 35 ASP QB 1 59 LEU QD . . 3.440 2.951 2.351 3.478 0.038 18 0 "[ . 1 . 2]" 2
651 1 36 GLY H 1 59 LEU QD . . 3.390 2.540 1.803 3.391 0.001 4 0 "[ . 1 . 2]" 2
652 1 36 GLY QA 1 59 LEU QD . . 3.220 2.422 1.823 3.224 0.004 14 0 "[ . 1 . 2]" 2
653 1 37 CYS H 1 37 CYS QB . . 3.580 2.789 2.665 2.911 . 0 0 "[ . 1 . 2]" 2
654 1 37 CYS QB 1 39 VAL QG . . 3.840 2.917 2.245 3.419 . 0 0 "[ . 1 . 2]" 2
655 1 39 VAL H 1 39 VAL QG . . 3.290 2.659 1.898 2.965 . 0 0 "[ . 1 . 2]" 2
656 1 39 VAL HA 1 39 VAL QG . . 3.090 2.128 2.038 2.343 . 0 0 "[ . 1 . 2]" 2
657 1 39 VAL QG 1 40 TRP H . . 3.670 2.340 1.976 2.836 . 0 0 "[ . 1 . 2]" 2
658 1 39 VAL QG 1 40 TRP HD1 . . 5.350 3.971 3.575 4.225 . 0 0 "[ . 1 . 2]" 2
659 1 39 VAL QG 1 41 HIS HD2 . . 4.670 2.480 1.873 3.777 . 0 0 "[ . 1 . 2]" 2
660 1 39 VAL QG 1 41 HIS HE1 . . 5.240 3.835 2.635 4.344 . 0 0 "[ . 1 . 2]" 2
661 1 42 HIS HB3 1 44 ARG QB . . 5.340 3.673 2.922 4.912 . 0 0 "[ . 1 . 2]" 2
662 1 42 HIS HB3 1 44 ARG QG . . 4.450 3.454 1.964 4.465 0.015 8 0 "[ . 1 . 2]" 2
663 1 42 HIS HB3 1 45 CYS QB . . 4.250 3.015 2.621 3.421 . 0 0 "[ . 1 . 2]" 2
664 1 43 THR HA 1 46 ILE QG . . 3.630 2.080 1.954 2.286 . 0 0 "[ . 1 . 2]" 2
665 1 43 THR HB 1 46 ILE QG . . 4.560 3.858 3.665 4.559 . 0 0 "[ . 1 . 2]" 2
666 1 43 THR HB 1 48 ILE QG . . 4.920 3.521 2.064 4.719 . 0 0 "[ . 1 . 2]" 2
667 1 44 ARG H 1 44 ARG QG . . 4.080 2.835 1.949 3.941 . 0 0 "[ . 1 . 2]" 2
668 1 44 ARG QB 1 44 ARG QG . . 2.300 2.054 2.000 2.087 . 0 0 "[ . 1 . 2]" 2
669 1 44 ARG QB 1 44 ARG QD . . 3.070 2.253 2.032 2.581 . 0 0 "[ . 1 . 2]" 2
670 1 44 ARG QB 1 45 CYS H . . 3.920 2.854 2.267 3.489 . 0 0 "[ . 1 . 2]" 2
671 1 44 ARG QG 1 45 CYS H . . 4.470 2.726 1.917 4.057 . 0 0 "[ . 1 . 2]" 2
672 1 45 CYS H 1 45 CYS QB . . 3.420 2.291 2.161 2.394 . 0 0 "[ . 1 . 2]" 2
673 1 45 CYS QB 1 46 ILE H . . 3.900 2.702 2.238 3.500 . 0 0 "[ . 1 . 2]" 2
674 1 45 CYS QB 1 46 ILE HA . . 5.340 4.033 3.755 4.647 . 0 0 "[ . 1 . 2]" 2
675 1 46 ILE H 1 46 ILE QG . . 3.110 2.087 1.909 2.412 . 0 0 "[ . 1 . 2]" 2
676 1 46 ILE H 1 47 GLY QA . . 5.340 4.524 4.358 4.689 . 0 0 "[ . 1 . 2]" 2
677 1 46 ILE QG 1 47 GLY H . . 4.520 2.232 1.877 3.825 . 0 0 "[ . 1 . 2]" 2
678 1 46 ILE QG 1 58 PHE QE . . 5.340 4.546 4.014 5.296 . 0 0 "[ . 1 . 2]" 2
679 1 46 ILE MD 1 48 ILE QG . . 4.610 2.425 1.732 4.141 . 0 0 "[ . 1 . 2]" 2
680 1 48 ILE H 1 48 ILE QG . . 3.550 2.676 1.791 3.355 . 0 0 "[ . 1 . 2]" 2
681 1 48 ILE HA 1 49 ASN QB . . 4.520 4.261 3.979 4.553 0.033 18 0 "[ . 1 . 2]" 2
682 1 48 ILE QG 1 55 PRO HG3 . . 4.660 4.096 3.390 4.642 . 0 0 "[ . 1 . 2]" 2
683 1 48 ILE QG 1 55 PRO HD3 . . 4.530 3.452 1.994 4.402 . 0 0 "[ . 1 . 2]" 2
684 1 49 ASN H 1 49 ASN QB . . 3.550 2.467 2.198 3.211 . 0 0 "[ . 1 . 2]" 2
685 1 49 ASN QB 1 51 ALA H . . 4.970 2.898 2.396 3.704 . 0 0 "[ . 1 . 2]" 2
686 1 54 LEU H 1 54 LEU QB . . 3.060 2.455 2.267 3.020 . 0 0 "[ . 1 . 2]" 2
687 1 54 LEU H 1 54 LEU QD . . 3.720 3.070 1.864 3.621 . 0 0 "[ . 1 . 2]" 2
688 1 54 LEU HA 1 54 LEU QD . . 3.210 2.359 2.016 3.126 . 0 0 "[ . 1 . 2]" 2
689 1 54 LEU QB 1 54 LEU HG . . 2.470 2.420 2.356 2.491 0.021 11 0 "[ . 1 . 2]" 2
690 1 54 LEU QB 1 54 LEU QD . . 2.860 1.869 1.817 1.942 . 0 0 "[ . 1 . 2]" 2
691 1 54 LEU QB 1 55 PRO HD2 . . 3.330 2.546 1.923 3.062 . 0 0 "[ . 1 . 2]" 2
692 1 54 LEU QB 1 55 PRO HD3 . . 4.100 3.758 3.155 4.106 0.006 20 0 "[ . 1 . 2]" 2
693 1 54 LEU QD 1 55 PRO HD2 . . 3.680 2.692 2.053 3.452 . 0 0 "[ . 1 . 2]" 2
694 1 54 LEU QD 1 55 PRO HD3 . . 4.350 3.632 3.043 4.476 0.126 13 0 "[ . 1 . 2]" 2
695 1 55 PRO HG2 1 58 PHE QB . . 4.340 2.399 2.020 2.796 . 0 0 "[ . 1 . 2]" 2
696 1 55 PRO HG3 1 58 PHE QB . . 5.340 3.147 2.755 3.608 . 0 0 "[ . 1 . 2]" 2
697 1 56 SER QB 1 57 LYS QB . . 4.130 3.646 3.308 4.019 . 0 0 "[ . 1 . 2]" 2
698 1 57 LYS H 1 57 LYS QB . . 3.260 2.826 2.484 3.199 . 0 0 "[ . 1 . 2]" 2
699 1 57 LYS H 1 57 LYS QG . . 4.150 2.913 2.164 4.013 . 0 0 "[ . 1 . 2]" 2
700 1 57 LYS QB 1 58 PHE H . . 3.590 3.068 2.806 3.507 . 0 0 "[ . 1 . 2]" 2
701 1 57 LYS QE 1 57 LYS QG . . 3.420 2.309 2.083 2.605 . 0 0 "[ . 1 . 2]" 2
702 1 57 LYS QG 1 58 PHE H . . 4.680 3.993 3.468 4.495 . 0 0 "[ . 1 . 2]" 2
703 1 58 PHE H 1 58 PHE QB . . 3.210 2.521 2.342 2.613 . 0 0 "[ . 1 . 2]" 2
704 1 59 LEU H 1 59 LEU QD . . 4.600 2.937 1.891 3.806 . 0 0 "[ . 1 . 2]" 2
705 1 59 LEU HA 1 59 LEU QD . . 3.410 2.184 1.877 2.987 . 0 0 "[ . 1 . 2]" 2
706 1 59 LEU HA 1 63 CYS QB . . 4.730 3.331 2.835 3.798 . 0 0 "[ . 1 . 2]" 2
707 1 59 LEU HB2 1 63 CYS QB . . 4.530 3.873 3.069 4.496 . 0 0 "[ . 1 . 2]" 2
708 1 59 LEU HB3 1 63 CYS QB . . 3.890 2.375 1.788 2.975 . 0 0 "[ . 1 . 2]" 2
709 1 59 LEU HG 1 63 CYS QB . . 4.670 3.969 2.551 4.672 0.002 17 0 "[ . 1 . 2]" 2
710 1 59 LEU QD 1 60 CYS H . . 4.610 3.397 2.634 4.411 . 0 0 "[ . 1 . 2]" 2
711 1 59 LEU QD 1 63 CYS QB . . 3.450 2.180 1.845 2.896 . 0 0 "[ . 1 . 2]" 2
712 1 59 LEU MD1 1 63 CYS HB2 . . 5.780 3.752 2.197 5.322 . 0 0 "[ . 1 . 2]" 2
713 1 59 LEU QD 1 64 ILE HA . . 4.060 3.787 2.962 4.078 0.018 10 0 "[ . 1 . 2]" 2
714 1 60 CYS H 1 63 CYS QB . . 4.300 2.714 1.908 3.665 . 0 0 "[ . 1 . 2]" 2
715 1 60 CYS HA 1 61 PHE QB . . 4.710 4.532 4.368 4.730 0.020 14 0 "[ . 1 . 2]" 2
716 1 61 PHE H 1 61 PHE QB . . 2.990 2.451 2.273 2.682 . 0 0 "[ . 1 . 2]" 2
717 1 61 PHE HA 1 61 PHE QB . . 2.640 2.336 2.174 2.490 . 0 0 "[ . 1 . 2]" 2
718 1 61 PHE HA 1 64 ILE QG . . 4.060 2.780 1.936 3.892 . 0 0 "[ . 1 . 2]" 2
719 1 62 ARG H 1 62 ARG QB . . 3.370 2.327 2.099 2.586 . 0 0 "[ . 1 . 2]" 2
720 1 62 ARG H 1 62 ARG QG . . 3.620 2.728 1.940 3.817 0.197 20 0 "[ . 1 . 2]" 2
721 1 62 ARG HA 1 62 ARG QG . . 3.450 2.565 2.145 3.394 . 0 0 "[ . 1 . 2]" 2
722 1 62 ARG QB 1 62 ARG QD . . 3.310 2.248 2.012 2.569 . 0 0 "[ . 1 . 2]" 2
723 1 62 ARG QB 1 63 CYS H . . 3.690 2.488 2.039 3.490 . 0 0 "[ . 1 . 2]" 2
724 1 63 CYS H 1 63 CYS QB . . 3.210 2.252 2.130 2.440 . 0 0 "[ . 1 . 2]" 2
725 1 63 CYS HA 1 66 LEU QB . . 3.480 2.022 1.850 2.291 . 0 0 "[ . 1 . 2]" 2
726 1 63 CYS HA 1 66 LEU QD . . 3.700 2.599 1.924 3.703 0.003 8 0 "[ . 1 . 2]" 2
727 1 63 CYS QB 1 64 ILE H . . 3.650 2.482 2.154 3.132 . 0 0 "[ . 1 . 2]" 2
728 1 64 ILE H 1 65 GLU QB . . 5.060 4.926 4.706 5.114 0.054 7 0 "[ . 1 . 2]" 2
729 1 64 ILE HA 1 64 ILE QG . . 3.350 2.562 2.308 2.963 . 0 0 "[ . 1 . 2]" 2
730 1 64 ILE MG 1 65 GLU QB . . 4.620 4.332 3.407 4.641 0.021 15 0 "[ . 1 . 2]" 2
731 1 64 ILE MG 1 65 GLU QG . . 4.130 3.419 2.809 4.157 0.027 7 0 "[ . 1 . 2]" 2
732 1 64 ILE QG 1 65 GLU H . . 4.410 4.101 3.883 4.350 . 0 0 "[ . 1 . 2]" 2
733 1 65 GLU H 1 65 GLU QB . . 3.130 2.283 2.175 2.823 . 0 0 "[ . 1 . 2]" 2
734 1 65 GLU H 1 65 GLU QG . . 4.150 3.017 2.022 3.979 . 0 0 "[ . 1 . 2]" 2
735 1 65 GLU HA 1 65 GLU QG . . 3.600 2.457 2.206 3.332 . 0 0 "[ . 1 . 2]" 2
736 1 65 GLU QB 1 66 LEU H . . 3.510 2.688 2.481 3.420 . 0 0 "[ . 1 . 2]" 2
737 1 66 LEU H 1 66 LEU QB . . 3.010 2.215 2.107 2.409 . 0 0 "[ . 1 . 2]" 2
738 1 66 LEU H 1 66 LEU QD . . 4.340 3.483 2.107 3.747 . 0 0 "[ . 1 . 2]" 2
739 1 66 LEU HA 1 66 LEU QD . . 3.260 2.459 1.893 3.208 . 0 0 "[ . 1 . 2]" 2
740 1 66 LEU QB 1 67 SER H . . 3.840 2.586 2.444 3.184 . 0 0 "[ . 1 . 2]" 2
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