NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506023 |
1wfh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfh
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 5.646
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0027
_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 18 CYS 0.086 0.016 17 0 "[ . 1 . 2]"
1 21 CYS 0.100 0.016 17 0 "[ . 1 . 2]"
1 32 CYS 0.013 0.005 2 0 "[ . 1 . 2]"
1 34 CYS 0.043 0.009 20 0 "[ . 1 . 2]"
1 39 CYS 0.027 0.007 20 0 "[ . 1 . 2]"
1 42 HIS 0.044 0.007 20 0 "[ . 1 . 2]"
1 48 HIS 0.021 0.004 2 0 "[ . 1 . 2]"
1 50 CYS 0.019 0.003 6 0 "[ . 1 . 2]"
2 1 ZN 0.149 0.010 17 0 "[ . 1 . 2]"
3 1 ZN 0.062 0.009 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.320 2.370 0.010 20 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.331 2.320 2.354 0.010 17 0 "[ . 1 . 2]" 1
3 1 39 CYS SG 2 1 ZN ZN . 2.330 2.370 2.332 2.323 2.370 0.007 20 0 "[ . 1 . 2]" 1
4 1 42 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.334 2.323 2.371 0.007 8 0 "[ . 1 . 2]" 1
5 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.361 3.261 3.436 . 0 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.426 3.249 3.514 0.004 7 0 "[ . 1 . 2]" 1
7 1 39 CYS CB 2 1 ZN ZN . 3.250 3.510 3.453 3.349 3.513 0.003 18 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 21 CYS SG . 3.200 4.000 3.839 3.658 4.016 0.016 17 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 39 CYS SG . 3.200 4.000 3.772 3.529 3.961 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 42 HIS ND1 . 3.200 4.000 3.924 3.803 4.007 0.007 20 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 42 HIS ND1 . 3.200 4.000 3.893 3.785 4.002 0.002 13 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 39 CYS SG . 3.200 4.000 3.882 3.761 3.983 . 0 0 "[ . 1 . 2]" 1
13 1 39 CYS SG 1 42 HIS ND1 . 3.200 4.000 3.448 3.199 3.832 0.001 8 0 "[ . 1 . 2]" 1
14 1 32 CYS SG 3 1 ZN ZN . 2.330 2.370 2.338 2.327 2.360 0.003 10 0 "[ . 1 . 2]" 1
15 1 34 CYS SG 3 1 ZN ZN . 2.330 2.370 2.338 2.321 2.373 0.009 20 0 "[ . 1 . 2]" 1
16 1 48 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.340 2.328 2.370 0.002 14 0 "[ . 1 . 2]" 1
17 1 50 CYS SG 3 1 ZN ZN . 2.330 2.370 2.343 2.327 2.371 0.003 6 0 "[ . 1 . 2]" 1
18 1 32 CYS CB 3 1 ZN ZN . 3.250 3.510 3.333 3.245 3.510 0.005 2 0 "[ . 1 . 2]" 1
19 1 34 CYS CB 3 1 ZN ZN . 3.250 3.510 3.435 3.309 3.518 0.008 20 0 "[ . 1 . 2]" 1
20 1 50 CYS CB 3 1 ZN ZN . 3.250 3.510 3.263 3.248 3.301 0.002 20 0 "[ . 1 . 2]" 1
21 1 32 CYS SG 1 34 CYS SG . 3.200 4.000 3.580 3.232 3.784 . 0 0 "[ . 1 . 2]" 1
22 1 32 CYS SG 1 50 CYS SG . 3.200 4.000 3.875 3.589 4.000 0.000 9 0 "[ . 1 . 2]" 1
23 1 32 CYS SG 1 48 HIS NE2 . 3.200 4.000 3.399 3.200 3.610 . 0 0 "[ . 1 . 2]" 1
24 1 34 CYS SG 1 48 HIS NE2 . 3.200 4.000 3.981 3.901 4.004 0.004 2 0 "[ . 1 . 2]" 1
25 1 34 CYS SG 1 50 CYS SG . 3.200 4.000 3.940 3.802 4.002 0.002 13 0 "[ . 1 . 2]" 1
26 1 48 HIS NE2 1 50 CYS SG . 3.200 4.000 3.974 3.919 4.001 0.001 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 812
_Distance_constraint_stats_list.Viol_count 475
_Distance_constraint_stats_list.Viol_total 224.994
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0237
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.015 0.005 19 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.015 0.005 19 0 "[ . 1 . 2]"
1 16 ASN 0.059 0.015 18 0 "[ . 1 . 2]"
1 17 ARG 1.059 0.162 19 0 "[ . 1 . 2]"
1 18 CYS 1.263 0.147 17 0 "[ . 1 . 2]"
1 19 THR 0.444 0.074 14 0 "[ . 1 . 2]"
1 20 VAL 1.126 0.074 14 0 "[ . 1 . 2]"
1 21 CYS 0.776 0.072 11 0 "[ . 1 . 2]"
1 22 ARG 0.907 0.192 3 0 "[ . 1 . 2]"
1 23 LYS 1.372 0.147 17 0 "[ . 1 . 2]"
1 24 ARG 2.365 0.166 4 0 "[ . 1 . 2]"
1 25 VAL 0.844 0.137 18 0 "[ . 1 . 2]"
1 26 GLY 0.411 0.178 17 0 "[ . 1 . 2]"
1 27 LEU 0.620 0.178 17 0 "[ . 1 . 2]"
1 28 THR 0.407 0.208 6 0 "[ . 1 . 2]"
1 29 GLY 0.231 0.055 9 0 "[ . 1 . 2]"
1 30 PHE 0.419 0.055 9 0 "[ . 1 . 2]"
1 31 MET 0.187 0.051 18 0 "[ . 1 . 2]"
1 32 CYS 0.040 0.012 6 0 "[ . 1 . 2]"
1 33 ARG 0.098 0.059 20 0 "[ . 1 . 2]"
1 34 CYS 0.048 0.022 15 0 "[ . 1 . 2]"
1 35 GLY 0.134 0.059 20 0 "[ . 1 . 2]"
1 36 THR 0.190 0.035 17 0 "[ . 1 . 2]"
1 37 THR 0.639 0.069 6 0 "[ . 1 . 2]"
1 38 PHE 0.772 0.069 6 0 "[ . 1 . 2]"
1 39 CYS 0.770 0.064 20 0 "[ . 1 . 2]"
1 40 GLY 0.049 0.016 16 0 "[ . 1 . 2]"
1 41 SER 0.031 0.014 7 0 "[ . 1 . 2]"
1 42 HIS 0.357 0.062 17 0 "[ . 1 . 2]"
1 43 ARG 0.214 0.032 9 0 "[ . 1 . 2]"
1 44 TYR 0.227 0.040 20 0 "[ . 1 . 2]"
1 45 PRO 0.096 0.023 20 0 "[ . 1 . 2]"
1 46 GLU 0.609 0.110 9 0 "[ . 1 . 2]"
1 47 VAL 0.696 0.048 14 0 "[ . 1 . 2]"
1 48 HIS 0.470 0.048 14 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 CYS 0.066 0.023 20 0 "[ . 1 . 2]"
1 51 THR 0.106 0.032 8 0 "[ . 1 . 2]"
1 52 PHE 0.367 0.200 15 0 "[ . 1 . 2]"
1 53 ASP 0.175 0.100 8 0 "[ . 1 . 2]"
1 54 PHE 0.234 0.124 11 0 "[ . 1 . 2]"
1 55 LYS 0.103 0.044 3 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 32 CYS HA 1 33 ARG H . . 3.040 2.481 2.378 2.568 . 0 0 "[ . 1 . 2]" 2
2 1 32 CYS HB3 1 33 ARG H . . 4.280 3.169 2.905 3.428 . 0 0 "[ . 1 . 2]" 2
3 1 33 ARG H 1 33 ARG HG2 . . 3.710 2.027 1.895 2.251 . 0 0 "[ . 1 . 2]" 2
4 1 33 ARG H 1 33 ARG HB3 . . 3.280 2.664 2.581 2.781 . 0 0 "[ . 1 . 2]" 2
5 1 33 ARG H 1 33 ARG HB2 . . 3.790 3.601 3.593 3.612 . 0 0 "[ . 1 . 2]" 2
6 1 32 CYS HB2 1 33 ARG H . . 4.320 3.853 3.777 3.959 . 0 0 "[ . 1 . 2]" 2
7 1 32 CYS H 1 36 THR H . . 4.180 3.613 3.275 3.763 . 0 0 "[ . 1 . 2]" 2
8 1 32 CYS H 1 38 PHE HD2 . . 4.120 2.969 2.502 3.288 . 0 0 "[ . 1 . 2]" 2
9 1 32 CYS H 1 38 PHE HE2 . . 4.580 3.733 3.308 4.096 . 0 0 "[ . 1 . 2]" 2
10 1 32 CYS H 1 32 CYS HB3 . . 3.180 2.856 2.741 2.932 . 0 0 "[ . 1 . 2]" 2
11 1 32 CYS H 1 32 CYS HB2 . . 3.230 2.253 2.195 2.381 . 0 0 "[ . 1 . 2]" 2
12 1 31 MET HG2 1 32 CYS H . . 4.230 4.089 3.465 4.232 0.002 16 0 "[ . 1 . 2]" 2
13 1 31 MET HG3 1 32 CYS H . . 4.110 3.598 3.279 3.674 . 0 0 "[ . 1 . 2]" 2
14 1 31 MET HB2 1 32 CYS H . . 4.720 4.525 4.396 4.568 . 0 0 "[ . 1 . 2]" 2
15 1 31 MET HB3 1 32 CYS H . . 4.720 4.375 4.192 4.448 . 0 0 "[ . 1 . 2]" 2
16 1 32 CYS H 1 37 THR MG . . 4.710 4.552 4.381 4.686 . 0 0 "[ . 1 . 2]" 2
17 1 19 THR H 1 38 PHE HA . . 3.580 2.854 2.353 3.330 . 0 0 "[ . 1 . 2]" 2
18 1 18 CYS HA 1 19 THR H . . 2.850 2.198 2.138 2.360 . 0 0 "[ . 1 . 2]" 2
19 1 19 THR H 1 19 THR HB . . 3.120 2.680 2.578 2.780 . 0 0 "[ . 1 . 2]" 2
20 1 18 CYS HB3 1 19 THR H . . 4.360 3.990 3.541 4.179 . 0 0 "[ . 1 . 2]" 2
21 1 19 THR H 1 20 VAL HB . . 4.980 4.530 4.163 4.739 . 0 0 "[ . 1 . 2]" 2
22 1 19 THR H 1 20 VAL MG2 . . 4.480 3.883 3.624 4.096 . 0 0 "[ . 1 . 2]" 2
23 1 19 THR H 1 36 THR MG . . 5.500 5.338 4.869 5.535 0.035 17 0 "[ . 1 . 2]" 2
24 1 18 CYS HB2 1 19 THR H . . 4.460 4.210 3.936 4.369 . 0 0 "[ . 1 . 2]" 2
25 1 52 PHE H 1 53 ASP H . . 4.750 4.395 3.144 4.609 . 0 0 "[ . 1 . 2]" 2
26 1 52 PHE H 1 52 PHE QD . . 4.190 4.076 2.675 4.206 0.016 7 0 "[ . 1 . 2]" 2
27 1 51 THR HB 1 52 PHE H . . 4.460 4.203 3.441 4.459 . 0 0 "[ . 1 . 2]" 2
28 1 51 THR HG1 1 52 PHE H . . 4.520 3.842 2.144 4.529 0.009 7 0 "[ . 1 . 2]" 2
29 1 52 PHE H 1 52 PHE HB2 . . 3.270 2.700 2.246 3.470 0.200 15 0 "[ . 1 . 2]" 2
30 1 52 PHE H 1 52 PHE HB3 . . 3.270 2.629 2.294 3.118 . 0 0 "[ . 1 . 2]" 2
31 1 51 THR MG 1 52 PHE H . . 4.630 4.111 2.107 4.370 . 0 0 "[ . 1 . 2]" 2
32 1 30 PHE QD 1 31 MET H . . 4.700 4.203 3.593 4.727 0.027 18 0 "[ . 1 . 2]" 2
33 1 30 PHE HA 1 31 MET H . . 2.980 2.224 2.140 2.593 . 0 0 "[ . 1 . 2]" 2
34 1 30 PHE HB2 1 31 MET H . . 4.480 4.298 3.939 4.486 0.006 7 0 "[ . 1 . 2]" 2
35 1 30 PHE HB3 1 31 MET H . . 4.480 3.449 2.730 4.396 . 0 0 "[ . 1 . 2]" 2
36 1 31 MET H 1 31 MET HG2 . . 4.930 4.543 4.456 4.630 . 0 0 "[ . 1 . 2]" 2
37 1 31 MET H 1 31 MET HG3 . . 4.750 4.489 4.247 4.615 . 0 0 "[ . 1 . 2]" 2
38 1 31 MET H 1 31 MET HB2 . . 3.500 2.691 2.271 2.990 . 0 0 "[ . 1 . 2]" 2
39 1 31 MET H 1 31 MET HB3 . . 3.500 2.625 2.495 2.830 . 0 0 "[ . 1 . 2]" 2
40 1 24 ARG H 1 25 VAL H . . 4.980 3.024 2.704 3.202 . 0 0 "[ . 1 . 2]" 2
41 1 23 LYS HA 1 24 ARG H . . 3.280 2.893 2.746 3.098 . 0 0 "[ . 1 . 2]" 2
42 1 24 ARG H 1 24 ARG HB2 . . 3.990 3.558 2.685 3.951 . 0 0 "[ . 1 . 2]" 2
43 1 52 PHE HB3 1 53 ASP H . . 4.450 4.086 3.030 4.444 . 0 0 "[ . 1 . 2]" 2
44 1 52 PHE QD 1 53 ASP H . . 4.510 3.364 2.414 4.503 . 0 0 "[ . 1 . 2]" 2
45 1 52 PHE HA 1 53 ASP H . . 3.120 2.228 2.139 2.825 . 0 0 "[ . 1 . 2]" 2
46 1 52 PHE HB2 1 53 ASP H . . 4.450 4.164 2.900 4.492 0.042 8 0 "[ . 1 . 2]" 2
47 1 53 ASP H 1 53 ASP HB2 . . 3.640 2.856 2.216 3.740 0.100 8 0 "[ . 1 . 2]" 2
48 1 53 ASP H 1 53 ASP HB3 . . 3.640 2.989 2.364 3.637 . 0 0 "[ . 1 . 2]" 2
49 1 24 ARG H 1 24 ARG HG3 . . 4.400 3.512 2.134 4.476 0.076 8 0 "[ . 1 . 2]" 2
50 1 14 ARG H 1 15 PRO QG . . 5.500 4.308 3.914 4.496 . 0 0 "[ . 1 . 2]" 2
51 1 54 PHE H 1 54 PHE QD . . 3.610 2.436 1.899 3.455 . 0 0 "[ . 1 . 2]" 2
52 1 52 PHE QD 1 54 PHE H . . 4.650 4.111 2.181 4.611 . 0 0 "[ . 1 . 2]" 2
53 1 53 ASP HA 1 54 PHE H . . 2.980 2.273 2.139 2.808 . 0 0 "[ . 1 . 2]" 2
54 1 54 PHE H 1 54 PHE HB2 . . 3.730 3.271 2.378 3.738 0.008 4 0 "[ . 1 . 2]" 2
55 1 54 PHE H 1 54 PHE HB3 . . 3.730 3.114 2.305 3.828 0.098 11 0 "[ . 1 . 2]" 2
56 1 53 ASP HB2 1 54 PHE H . . 4.800 4.233 3.063 4.588 . 0 0 "[ . 1 . 2]" 2
57 1 53 ASP HB3 1 54 PHE H . . 4.800 4.131 3.302 4.550 . 0 0 "[ . 1 . 2]" 2
58 1 18 CYS H 1 23 LYS HB3 . . 5.500 5.041 4.880 5.221 . 0 0 "[ . 1 . 2]" 2
59 1 18 CYS H 1 23 LYS QD . . 5.500 5.087 4.073 5.472 . 0 0 "[ . 1 . 2]" 2
60 1 25 VAL MG1 1 38 PHE H . . 5.120 4.222 3.797 4.531 . 0 0 "[ . 1 . 2]" 2
61 1 18 CYS H 1 23 LYS H . . 3.810 2.607 2.462 2.805 . 0 0 "[ . 1 . 2]" 2
62 1 18 CYS H 1 38 PHE HA . . 5.200 4.913 4.734 5.035 . 0 0 "[ . 1 . 2]" 2
63 1 17 ARG HA 1 18 CYS H . . 2.870 2.170 2.144 2.229 . 0 0 "[ . 1 . 2]" 2
64 1 18 CYS H 1 24 ARG HA . . 3.870 3.559 3.350 3.735 . 0 0 "[ . 1 . 2]" 2
65 1 18 CYS H 1 22 ARG HA . . 3.930 2.506 2.325 2.640 . 0 0 "[ . 1 . 2]" 2
66 1 18 CYS H 1 18 CYS HB2 . . 3.080 2.365 2.302 2.428 . 0 0 "[ . 1 . 2]" 2
67 1 18 CYS H 1 18 CYS HB3 . . 3.140 2.727 2.631 2.833 . 0 0 "[ . 1 . 2]" 2
68 1 18 CYS H 1 22 ARG HB2 . . 5.500 5.361 5.227 5.494 . 0 0 "[ . 1 . 2]" 2
69 1 18 CYS H 1 23 LYS HB2 . . 5.500 5.540 5.462 5.647 0.147 17 0 "[ . 1 . 2]" 2
70 1 18 CYS H 1 25 VAL HB . . 5.500 5.205 4.931 5.500 . 19 0 "[ . 1 . 2]" 2
71 1 17 ARG HB3 1 18 CYS H . . 3.410 3.211 2.913 3.383 . 0 0 "[ . 1 . 2]" 2
72 1 18 CYS H 1 37 THR MG . . 4.960 4.652 4.326 4.969 0.009 11 0 "[ . 1 . 2]" 2
73 1 18 CYS H 1 25 VAL MG1 . . 3.570 2.708 2.444 2.905 . 0 0 "[ . 1 . 2]" 2
74 1 38 PHE H 1 38 PHE HD2 . . 3.670 3.284 2.880 3.579 . 0 0 "[ . 1 . 2]" 2
75 1 37 THR HA 1 38 PHE H . . 2.780 2.169 2.147 2.203 . 0 0 "[ . 1 . 2]" 2
76 1 30 PHE HA 1 38 PHE H . . 4.960 4.797 4.647 4.895 . 0 0 "[ . 1 . 2]" 2
77 1 37 THR HB 1 38 PHE H . . 4.000 4.001 3.918 4.069 0.069 6 0 "[ . 1 . 2]" 2
78 1 38 PHE H 1 38 PHE HB2 . . 3.460 2.761 2.639 2.834 . 0 0 "[ . 1 . 2]" 2
79 1 37 THR MG 1 38 PHE H . . 3.300 2.443 2.086 2.766 . 0 0 "[ . 1 . 2]" 2
80 1 18 CYS HA 1 38 PHE H . . 4.640 4.508 4.343 4.614 . 0 0 "[ . 1 . 2]" 2
81 1 30 PHE HB3 1 38 PHE H . . 4.600 4.514 4.405 4.631 0.031 9 0 "[ . 1 . 2]" 2
82 1 38 PHE H 1 43 ARG HB2 . . 5.500 5.497 5.441 5.525 0.025 16 0 "[ . 1 . 2]" 2
83 1 21 CYS HA 1 23 LYS H . . 5.210 5.098 4.975 5.187 . 0 0 "[ . 1 . 2]" 2
84 1 18 CYS HB2 1 23 LYS H . . 3.130 2.413 2.183 2.610 . 0 0 "[ . 1 . 2]" 2
85 1 18 CYS HB3 1 23 LYS H . . 3.700 1.917 1.864 1.998 . 0 0 "[ . 1 . 2]" 2
86 1 22 ARG HB3 1 23 LYS H . . 4.580 4.413 4.382 4.457 . 0 0 "[ . 1 . 2]" 2
87 1 23 LYS H 1 23 LYS HB3 . . 3.340 2.649 2.550 2.830 . 0 0 "[ . 1 . 2]" 2
88 1 17 ARG HB3 1 23 LYS H . . 4.870 4.444 3.975 4.805 . 0 0 "[ . 1 . 2]" 2
89 1 54 PHE HB2 1 55 LYS H . . 4.590 3.359 2.099 4.536 . 0 0 "[ . 1 . 2]" 2
90 1 54 PHE HB3 1 55 LYS H . . 4.590 3.818 2.538 4.590 0.000 4 0 "[ . 1 . 2]" 2
91 1 55 LYS H 1 55 LYS QB . . 3.250 2.400 2.135 3.091 . 0 0 "[ . 1 . 2]" 2
92 1 55 LYS H 1 55 LYS QG . . 3.880 3.171 1.889 3.924 0.044 3 0 "[ . 1 . 2]" 2
93 1 20 VAL H 1 38 PHE HD1 . . 3.990 3.110 2.951 3.307 . 0 0 "[ . 1 . 2]" 2
94 1 20 VAL H 1 38 PHE HE1 . . 4.720 4.078 3.787 4.381 . 0 0 "[ . 1 . 2]" 2
95 1 19 THR HB 1 20 VAL H . . 3.760 3.679 3.580 3.753 . 0 0 "[ . 1 . 2]" 2
96 1 20 VAL H 1 38 PHE HB3 . . 5.400 5.010 4.708 5.159 . 0 0 "[ . 1 . 2]" 2
97 1 20 VAL H 1 42 HIS HB3 . . 5.500 5.111 4.882 5.271 . 0 0 "[ . 1 . 2]" 2
98 1 20 VAL H 1 20 VAL HB . . 2.990 2.533 2.491 2.596 . 0 0 "[ . 1 . 2]" 2
99 1 20 VAL H 1 20 VAL MG1 . . 3.820 3.777 3.746 3.817 . 0 0 "[ . 1 . 2]" 2
100 1 13 GLN H 1 13 GLN QG . . 4.480 2.594 1.844 3.299 . 0 0 "[ . 1 . 2]" 2
101 1 42 HIS H 1 44 TYR H . . 4.910 4.709 4.607 4.819 . 0 0 "[ . 1 . 2]" 2
102 1 42 HIS HA 1 44 TYR H . . 4.500 3.497 3.383 3.567 . 0 0 "[ . 1 . 2]" 2
103 1 44 TYR H 1 45 PRO HD3 . . 5.110 4.993 4.960 5.013 . 0 0 "[ . 1 . 2]" 2
104 1 44 TYR H 1 44 TYR HB2 . . 3.090 2.439 2.393 2.557 . 0 0 "[ . 1 . 2]" 2
105 1 43 ARG QD 1 44 TYR H . . 4.550 4.354 4.212 4.472 . 0 0 "[ . 1 . 2]" 2
106 1 43 ARG HB3 1 44 TYR H . . 4.220 3.953 3.891 4.018 . 0 0 "[ . 1 . 2]" 2
107 1 44 TYR H 1 47 VAL MG2 . . 3.770 3.055 2.854 3.312 . 0 0 "[ . 1 . 2]" 2
108 1 43 ARG HG2 1 44 TYR H . . 3.770 2.617 2.435 3.079 . 0 0 "[ . 1 . 2]" 2
109 1 43 ARG HG3 1 44 TYR H . . 3.720 2.638 2.349 2.870 . 0 0 "[ . 1 . 2]" 2
110 1 17 ARG H 1 18 CYS HA . . 5.500 5.098 4.875 5.432 . 0 0 "[ . 1 . 2]" 2
111 1 17 ARG H 1 22 ARG HA . . 5.500 5.322 4.859 5.506 0.006 11 0 "[ . 1 . 2]" 2
112 1 17 ARG H 1 24 ARG HA . . 4.390 4.378 4.071 4.464 0.074 12 0 "[ . 1 . 2]" 2
113 1 50 CYS H 1 51 THR H . . 4.640 4.548 4.311 4.648 0.008 4 0 "[ . 1 . 2]" 2
114 1 50 CYS H 1 50 CYS QB . . 2.730 2.195 2.168 2.228 . 0 0 "[ . 1 . 2]" 2
115 1 45 PRO QG 1 50 CYS H . . 4.860 4.800 4.551 4.883 0.023 20 0 "[ . 1 . 2]" 2
116 1 30 PHE H 1 30 PHE QD . . 3.890 2.740 2.016 3.726 . 0 0 "[ . 1 . 2]" 2
117 1 29 GLY HA2 1 30 PHE H . . 3.500 2.408 2.137 2.884 . 0 0 "[ . 1 . 2]" 2
118 1 29 GLY HA3 1 30 PHE H . . 3.500 2.849 2.289 3.407 . 0 0 "[ . 1 . 2]" 2
119 1 30 PHE H 1 38 PHE HB2 . . 5.410 4.650 4.071 5.009 . 0 0 "[ . 1 . 2]" 2
120 1 16 ASN HB2 1 17 ARG H . . 4.770 4.330 3.705 4.593 . 0 0 "[ . 1 . 2]" 2
121 1 17 ARG H 1 17 ARG HB2 . . 3.780 2.571 2.370 2.855 . 0 0 "[ . 1 . 2]" 2
122 1 17 ARG H 1 17 ARG HB3 . . 4.170 3.717 3.550 3.894 . 0 0 "[ . 1 . 2]" 2
123 1 17 ARG H 1 17 ARG HG2 . . 4.520 3.904 3.529 4.414 . 0 0 "[ . 1 . 2]" 2
124 1 17 ARG H 1 37 THR MG . . 5.190 4.465 3.989 5.176 . 0 0 "[ . 1 . 2]" 2
125 1 16 ASN HB3 1 17 ARG H . . 4.770 3.544 2.950 4.095 . 0 0 "[ . 1 . 2]" 2
126 1 17 ARG H 1 25 VAL MG2 . . 4.840 3.939 3.366 4.545 . 0 0 "[ . 1 . 2]" 2
127 1 30 PHE H 1 43 ARG HB2 . . 5.500 5.042 4.504 5.524 0.024 17 0 "[ . 1 . 2]" 2
128 1 30 PHE H 1 43 ARG HB3 . . 5.500 4.758 4.146 5.461 . 0 0 "[ . 1 . 2]" 2
129 1 50 CYS HA 1 51 THR H . . 2.930 2.207 2.138 2.360 . 0 0 "[ . 1 . 2]" 2
130 1 51 THR H 1 51 THR HG1 . . 4.510 3.306 1.907 4.508 . 0 0 "[ . 1 . 2]" 2
131 1 50 CYS QB 1 51 THR H . . 3.900 3.618 3.270 3.889 . 0 0 "[ . 1 . 2]" 2
132 1 51 THR H 1 51 THR MG . . 3.430 2.434 1.990 2.951 . 0 0 "[ . 1 . 2]" 2
133 1 39 CYS H 1 42 HIS H . . 4.370 3.138 3.020 3.268 . 0 0 "[ . 1 . 2]" 2
134 1 42 HIS H 1 43 ARG HA . . 4.600 4.442 4.327 4.532 . 0 0 "[ . 1 . 2]" 2
135 1 42 HIS H 1 42 HIS HB2 . . 3.460 2.603 2.539 2.684 . 0 0 "[ . 1 . 2]" 2
136 1 38 PHE HB3 1 42 HIS H . . 4.310 3.871 3.788 3.973 . 0 0 "[ . 1 . 2]" 2
137 1 39 CYS HB3 1 42 HIS H . . 4.890 4.353 4.290 4.406 . 0 0 "[ . 1 . 2]" 2
138 1 38 PHE HB2 1 42 HIS H . . 5.010 4.805 4.702 4.904 . 0 0 "[ . 1 . 2]" 2
139 1 42 HIS H 1 43 ARG HB3 . . 4.280 4.112 3.968 4.225 . 0 0 "[ . 1 . 2]" 2
140 1 42 HIS H 1 47 VAL MG1 . . 4.520 4.455 4.337 4.536 0.016 9 0 "[ . 1 . 2]" 2
141 1 42 HIS H 1 43 ARG HG2 . . 4.530 4.449 4.317 4.540 0.010 16 0 "[ . 1 . 2]" 2
142 1 20 VAL MG1 1 42 HIS H . . 5.500 5.407 5.289 5.510 0.010 11 0 "[ . 1 . 2]" 2
143 1 40 GLY HA3 1 42 HIS H . . 4.940 4.762 4.619 4.881 . 0 0 "[ . 1 . 2]" 2
144 1 43 ARG H 1 44 TYR H . . 3.460 2.499 2.455 2.581 . 0 0 "[ . 1 . 2]" 2
145 1 41 SER HA 1 43 ARG H . . 4.530 3.937 3.866 4.078 . 0 0 "[ . 1 . 2]" 2
146 1 40 GLY HA2 1 43 ARG H . . 4.280 3.774 3.629 3.871 . 0 0 "[ . 1 . 2]" 2
147 1 42 HIS HB2 1 43 ARG H . . 4.670 4.000 3.938 4.048 . 0 0 "[ . 1 . 2]" 2
148 1 38 PHE HB3 1 43 ARG H . . 4.160 4.076 3.961 4.163 0.003 15 0 "[ . 1 . 2]" 2
149 1 38 PHE HB2 1 43 ARG H . . 4.260 4.184 4.110 4.256 . 0 0 "[ . 1 . 2]" 2
150 1 43 ARG H 1 43 ARG QD . . 4.180 3.827 3.603 4.094 . 0 0 "[ . 1 . 2]" 2
151 1 43 ARG H 1 43 ARG HB3 . . 3.070 2.493 2.445 2.545 . 0 0 "[ . 1 . 2]" 2
152 1 43 ARG H 1 47 VAL MG1 . . 5.120 4.636 4.522 4.690 . 0 0 "[ . 1 . 2]" 2
153 1 43 ARG H 1 47 VAL MG2 . . 5.360 4.229 3.994 4.459 . 0 0 "[ . 1 . 2]" 2
154 1 43 ARG H 1 43 ARG HG2 . . 3.220 2.258 2.166 2.339 . 0 0 "[ . 1 . 2]" 2
155 1 43 ARG H 1 43 ARG HG3 . . 3.670 3.412 3.060 3.555 . 0 0 "[ . 1 . 2]" 2
156 1 44 TYR H 1 47 VAL H . . 5.000 4.827 4.669 4.878 . 0 0 "[ . 1 . 2]" 2
157 1 45 PRO HA 1 47 VAL H . . 4.530 4.318 4.126 4.403 . 0 0 "[ . 1 . 2]" 2
158 1 46 GLU H 1 47 VAL H . . 3.400 2.724 2.520 2.800 . 0 0 "[ . 1 . 2]" 2
159 1 44 TYR HB3 1 47 VAL H . . 4.020 3.153 3.029 3.336 . 0 0 "[ . 1 . 2]" 2
160 1 44 TYR HB2 1 47 VAL H . . 3.340 2.957 2.765 3.044 . 0 0 "[ . 1 . 2]" 2
161 1 46 GLU QB 1 47 VAL H . . 3.800 3.420 3.379 3.544 . 0 0 "[ . 1 . 2]" 2
162 1 45 PRO HB2 1 47 VAL H . . 5.270 5.216 5.160 5.259 . 0 0 "[ . 1 . 2]" 2
163 1 47 VAL H 1 47 VAL MG2 . . 3.070 2.039 1.946 2.170 . 0 0 "[ . 1 . 2]" 2
164 1 18 CYS HB2 1 22 ARG H . . 3.750 3.648 3.606 3.748 . 0 0 "[ . 1 . 2]" 2
165 1 22 ARG H 1 22 ARG HB2 . . 3.810 3.546 3.450 3.675 . 0 0 "[ . 1 . 2]" 2
166 1 37 THR H 1 38 PHE H . . 4.810 4.407 4.349 4.443 . 0 0 "[ . 1 . 2]" 2
167 1 36 THR HA 1 37 THR H . . 2.860 2.453 2.350 2.562 . 0 0 "[ . 1 . 2]" 2
168 1 36 THR HB 1 37 THR H . . 3.520 2.296 2.049 2.609 . 0 0 "[ . 1 . 2]" 2
169 1 37 THR H 1 37 THR HB . . 3.070 2.757 2.704 2.863 . 0 0 "[ . 1 . 2]" 2
170 1 20 VAL HB 1 39 CYS H . . 5.000 4.356 4.187 4.485 . 0 0 "[ . 1 . 2]" 2
171 1 39 CYS H 1 43 ARG HB3 . . 5.500 4.839 4.608 4.942 . 0 0 "[ . 1 . 2]" 2
172 1 20 VAL H 1 22 ARG H . . 3.850 2.712 2.656 2.771 . 0 0 "[ . 1 . 2]" 2
173 1 22 ARG H 1 22 ARG HA . . 2.680 2.283 2.276 2.300 . 0 0 "[ . 1 . 2]" 2
174 1 19 THR HA 1 22 ARG H . . 4.540 4.179 4.060 4.292 . 0 0 "[ . 1 . 2]" 2
175 1 22 ARG H 1 22 ARG HD2 . . 4.580 3.676 2.193 4.622 0.042 13 0 "[ . 1 . 2]" 2
176 1 17 ARG HB3 1 22 ARG H . . 5.060 4.672 4.397 4.952 . 0 0 "[ . 1 . 2]" 2
177 1 18 CYS H 1 25 VAL H . . 4.440 2.446 2.253 2.601 . 0 0 "[ . 1 . 2]" 2
178 1 17 ARG HA 1 25 VAL H . . 3.370 2.645 2.188 2.805 . 0 0 "[ . 1 . 2]" 2
179 1 22 ARG HA 1 25 VAL H . . 4.970 4.654 4.514 4.863 . 0 0 "[ . 1 . 2]" 2
180 1 25 VAL H 1 25 VAL HB . . 3.860 3.629 3.611 3.646 . 0 0 "[ . 1 . 2]" 2
181 1 23 LYS QD 1 25 VAL H . . 4.720 4.101 2.832 4.665 . 0 0 "[ . 1 . 2]" 2
182 1 25 VAL H 1 25 VAL MG1 . . 3.410 2.045 1.879 2.255 . 0 0 "[ . 1 . 2]" 2
183 1 25 VAL H 1 25 VAL MG2 . . 3.000 2.298 2.020 2.473 . 0 0 "[ . 1 . 2]" 2
184 1 34 CYS H 1 36 THR H . . 4.430 4.359 4.210 4.445 0.015 20 0 "[ . 1 . 2]" 2
185 1 19 THR H 1 39 CYS H . . 5.500 4.960 4.426 5.442 . 0 0 "[ . 1 . 2]" 2
186 1 38 PHE HD1 1 39 CYS H . . 4.180 3.823 3.733 3.930 . 0 0 "[ . 1 . 2]" 2
187 1 38 PHE HA 1 39 CYS H . . 3.040 2.537 2.471 2.611 . 0 0 "[ . 1 . 2]" 2
188 1 39 CYS H 1 42 HIS HA . . 5.210 4.898 4.819 5.025 . 0 0 "[ . 1 . 2]" 2
189 1 18 CYS HA 1 39 CYS H . . 4.300 4.254 4.107 4.337 0.037 19 0 "[ . 1 . 2]" 2
190 1 39 CYS H 1 43 ARG HA . . 4.600 4.289 4.060 4.434 . 0 0 "[ . 1 . 2]" 2
191 1 39 CYS H 1 42 HIS HB2 . . 3.400 2.338 2.263 2.456 . 0 0 "[ . 1 . 2]" 2
192 1 38 PHE HB3 1 39 CYS H . . 3.090 2.186 2.043 2.312 . 0 0 "[ . 1 . 2]" 2
193 1 39 CYS H 1 39 CYS HB3 . . 3.390 2.851 2.701 2.946 . 0 0 "[ . 1 . 2]" 2
194 1 38 PHE HB2 1 39 CYS H . . 3.780 3.301 3.201 3.411 . 0 0 "[ . 1 . 2]" 2
195 1 25 VAL MG1 1 39 CYS H . . 3.950 3.176 2.920 3.471 . 0 0 "[ . 1 . 2]" 2
196 1 34 CYS H 1 35 GLY HA3 . . 5.500 5.408 5.354 5.449 . 0 0 "[ . 1 . 2]" 2
197 1 32 CYS HB3 1 34 CYS H . . 3.470 3.152 2.914 3.332 . 0 0 "[ . 1 . 2]" 2
198 1 34 CYS H 1 34 CYS HB2 . . 3.830 3.587 3.566 3.600 . 0 0 "[ . 1 . 2]" 2
199 1 32 CYS HB2 1 34 CYS H . . 4.810 4.621 4.478 4.724 . 0 0 "[ . 1 . 2]" 2
200 1 33 ARG HB3 1 34 CYS H . . 4.000 3.916 3.819 4.022 0.022 15 0 "[ . 1 . 2]" 2
201 1 33 ARG HB2 1 34 CYS H . . 4.240 3.661 3.566 3.778 . 0 0 "[ . 1 . 2]" 2
202 1 21 CYS H 1 42 HIS HB3 . . 5.430 5.424 5.298 5.492 0.062 17 0 "[ . 1 . 2]" 2
203 1 21 CYS H 1 21 CYS HB3 . . 3.600 3.093 3.021 3.156 . 0 0 "[ . 1 . 2]" 2
204 1 21 CYS H 1 22 ARG HB2 . . 5.500 5.132 5.002 5.312 . 0 0 "[ . 1 . 2]" 2
205 1 20 VAL HB 1 21 CYS H . . 2.850 2.555 2.467 2.614 . 0 0 "[ . 1 . 2]" 2
206 1 20 VAL MG1 1 21 CYS H . . 3.460 3.169 3.030 3.299 . 0 0 "[ . 1 . 2]" 2
207 1 44 TYR HA 1 46 GLU H . . 4.730 4.311 4.068 4.406 . 0 0 "[ . 1 . 2]" 2
208 1 45 PRO HD2 1 46 GLU H . . 4.040 2.689 2.647 2.714 . 0 0 "[ . 1 . 2]" 2
209 1 44 TYR HB3 1 46 GLU H . . 4.140 3.008 2.836 3.080 . 0 0 "[ . 1 . 2]" 2
210 1 44 TYR HB2 1 46 GLU H . . 4.180 4.137 3.655 4.186 0.006 8 0 "[ . 1 . 2]" 2
211 1 46 GLU H 1 46 GLU HG2 . . 4.240 2.397 2.100 3.232 . 0 0 "[ . 1 . 2]" 2
212 1 46 GLU H 1 46 GLU QB . . 3.000 2.439 2.313 2.598 . 0 0 "[ . 1 . 2]" 2
213 1 45 PRO HB2 1 46 GLU H . . 3.650 3.075 2.995 3.345 . 0 0 "[ . 1 . 2]" 2
214 1 46 GLU H 1 47 VAL MG2 . . 4.460 4.089 3.799 4.287 . 0 0 "[ . 1 . 2]" 2
215 1 32 CYS HB2 1 36 THR H . . 4.570 4.037 3.913 4.175 . 0 0 "[ . 1 . 2]" 2
216 1 40 GLY H 1 41 SER H . . 4.720 2.783 2.661 2.911 . 0 0 "[ . 1 . 2]" 2
217 1 41 SER H 1 42 HIS H . . 3.120 2.227 2.146 2.316 . 0 0 "[ . 1 . 2]" 2
218 1 41 SER H 1 43 ARG H . . 4.310 3.777 3.691 3.833 . 0 0 "[ . 1 . 2]" 2
219 1 39 CYS HA 1 41 SER H . . 4.900 4.067 3.939 4.234 . 0 0 "[ . 1 . 2]" 2
220 1 41 SER H 1 41 SER HB2 . . 3.790 2.681 2.288 2.914 . 0 0 "[ . 1 . 2]" 2
221 1 41 SER H 1 41 SER HB3 . . 3.790 2.710 2.354 3.632 . 0 0 "[ . 1 . 2]" 2
222 1 39 CYS HB3 1 41 SER H . . 4.620 4.174 4.112 4.257 . 0 0 "[ . 1 . 2]" 2
223 1 36 THR H 1 36 THR HB . . 3.790 3.741 3.680 3.813 0.023 10 0 "[ . 1 . 2]" 2
224 1 35 GLY HA2 1 36 THR H . . 3.540 2.872 2.818 2.942 . 0 0 "[ . 1 . 2]" 2
225 1 31 MET HG3 1 36 THR H . . 5.100 3.656 3.410 3.887 . 0 0 "[ . 1 . 2]" 2
226 1 36 THR H 1 36 THR MG . . 3.520 3.317 3.187 3.518 . 0 0 "[ . 1 . 2]" 2
227 1 46 GLU H 1 48 HIS H . . 5.020 4.536 4.400 4.652 . 0 0 "[ . 1 . 2]" 2
228 1 48 HIS H 1 48 HIS HB2 . . 4.170 3.686 3.650 3.741 . 0 0 "[ . 1 . 2]" 2
229 1 45 PRO HA 1 48 HIS H . . 4.470 3.676 3.615 3.781 . 0 0 "[ . 1 . 2]" 2
230 1 47 VAL HB 1 48 HIS H . . 3.500 2.369 2.248 2.543 . 0 0 "[ . 1 . 2]" 2
231 1 48 HIS H 1 48 HIS HB3 . . 4.170 2.801 2.738 2.885 . 0 0 "[ . 1 . 2]" 2
232 1 46 GLU QB 1 48 HIS H . . 5.500 5.354 5.153 5.482 . 0 0 "[ . 1 . 2]" 2
233 1 47 VAL MG1 1 48 HIS H . . 3.900 3.194 3.039 3.357 . 0 0 "[ . 1 . 2]" 2
234 1 47 VAL MG2 1 48 HIS H . . 4.360 3.769 3.730 3.853 . 0 0 "[ . 1 . 2]" 2
235 1 48 HIS H 1 49 GLY H . . 3.650 2.869 2.230 2.975 . 0 0 "[ . 1 . 2]" 2
236 1 46 GLU HA 1 49 GLY H . . 4.600 3.673 3.384 3.835 . 0 0 "[ . 1 . 2]" 2
237 1 47 VAL MG1 1 49 GLY H . . 5.370 4.538 4.351 4.785 . 0 0 "[ . 1 . 2]" 2
238 1 47 VAL MG2 1 49 GLY H . . 5.500 5.150 4.930 5.269 . 0 0 "[ . 1 . 2]" 2
239 1 16 ASN HD21 1 37 THR MG . . 4.890 3.134 2.012 4.059 . 0 0 "[ . 1 . 2]" 2
240 1 16 ASN HD22 1 37 THR MG . . 4.890 4.183 3.327 4.650 . 0 0 "[ . 1 . 2]" 2
241 1 47 VAL HA 1 49 GLY H . . 4.640 3.936 3.800 4.314 . 0 0 "[ . 1 . 2]" 2
242 1 49 GLY H 1 50 CYS QB . . 5.210 5.010 4.475 5.083 . 0 0 "[ . 1 . 2]" 2
243 1 47 VAL HB 1 49 GLY H . . 5.230 4.778 4.395 4.951 . 0 0 "[ . 1 . 2]" 2
244 1 25 VAL HB 1 26 GLY H . . 4.780 3.548 2.407 3.976 . 0 0 "[ . 1 . 2]" 2
245 1 25 VAL MG2 1 26 GLY H . . 4.560 3.120 1.964 4.152 . 0 0 "[ . 1 . 2]" 2
246 1 33 ARG HA 1 35 GLY H . . 3.900 3.861 3.788 3.959 0.059 20 0 "[ . 1 . 2]" 2
247 1 35 GLY H 1 35 GLY HA2 . . 2.870 2.472 2.460 2.490 . 0 0 "[ . 1 . 2]" 2
248 1 32 CYS HB2 1 35 GLY H . . 5.080 4.690 4.615 4.767 . 0 0 "[ . 1 . 2]" 2
249 1 31 MET HG2 1 35 GLY H . . 5.010 4.623 4.499 4.801 . 0 0 "[ . 1 . 2]" 2
250 1 31 MET ME 1 35 GLY H . . 5.210 5.045 4.859 5.214 0.004 18 0 "[ . 1 . 2]" 2
251 1 35 GLY H 1 36 THR MG . . 4.820 4.256 3.992 4.521 . 0 0 "[ . 1 . 2]" 2
252 1 31 MET HG3 1 35 GLY H . . 5.130 4.953 4.751 5.123 . 0 0 "[ . 1 . 2]" 2
253 1 29 GLY H 1 30 PHE H . . 4.850 4.480 4.230 4.647 . 0 0 "[ . 1 . 2]" 2
254 1 25 VAL HB 1 29 GLY H . . 4.600 3.801 2.874 4.380 . 0 0 "[ . 1 . 2]" 2
255 1 25 VAL MG2 1 29 GLY H . . 4.640 4.170 3.248 4.646 0.006 6 0 "[ . 1 . 2]" 2
256 1 27 LEU QB 1 28 THR H . . 4.260 2.482 2.047 2.703 . 0 0 "[ . 1 . 2]" 2
257 1 28 THR H 1 28 THR MG . . 4.290 2.472 1.935 3.034 . 0 0 "[ . 1 . 2]" 2
258 1 29 GLY H 1 37 THR MG . . 5.070 4.865 4.026 5.107 0.037 20 0 "[ . 1 . 2]" 2
259 1 39 CYS HB3 1 40 GLY H . . 4.590 3.732 3.516 3.868 . 0 0 "[ . 1 . 2]" 2
260 1 39 CYS HB2 1 40 GLY H . . 4.040 2.382 2.095 2.668 . 0 0 "[ . 1 . 2]" 2
261 1 32 CYS H 1 38 PHE H . . 4.640 3.681 3.504 3.808 . 0 0 "[ . 1 . 2]" 2
262 1 19 THR H 1 20 VAL H . . 3.520 2.586 2.261 2.735 . 0 0 "[ . 1 . 2]" 2
263 1 51 THR H 1 52 PHE H . . 3.990 3.478 2.279 4.022 0.032 8 0 "[ . 1 . 2]" 2
264 1 53 ASP H 1 54 PHE H . . 4.560 4.109 2.708 4.555 . 0 0 "[ . 1 . 2]" 2
265 1 44 TYR H 1 44 TYR QD . . 3.310 2.540 2.367 3.191 . 0 0 "[ . 1 . 2]" 2
266 1 49 GLY H 1 50 CYS H . . 3.680 3.345 3.176 3.455 . 0 0 "[ . 1 . 2]" 2
267 1 42 HIS H 1 43 ARG H . . 3.040 2.475 2.353 2.597 . 0 0 "[ . 1 . 2]" 2
268 1 47 VAL H 1 48 HIS H . . 3.060 2.854 2.709 2.914 . 0 0 "[ . 1 . 2]" 2
269 1 33 ARG H 1 34 CYS H . . 3.390 2.531 2.422 2.650 . 0 0 "[ . 1 . 2]" 2
270 1 20 VAL H 1 21 CYS H . . 3.070 2.093 2.018 2.160 . 0 0 "[ . 1 . 2]" 2
271 1 21 CYS H 1 22 ARG H . . 2.920 1.851 1.798 1.946 . 0 0 "[ . 1 . 2]" 2
272 1 20 VAL H 1 39 CYS H . . 5.490 4.991 4.708 5.221 . 0 0 "[ . 1 . 2]" 2
273 1 30 PHE H 1 39 CYS H . . 5.500 5.188 4.773 5.501 0.001 18 0 "[ . 1 . 2]" 2
274 1 35 GLY H 1 36 THR H . . 3.160 2.001 1.938 2.063 . 0 0 "[ . 1 . 2]" 2
275 1 34 CYS H 1 35 GLY H . . 3.240 2.834 2.748 2.901 . 0 0 "[ . 1 . 2]" 2
276 1 21 CYS H 1 23 LYS H . . 4.110 3.846 3.758 3.921 . 0 0 "[ . 1 . 2]" 2
277 1 30 PHE QD 1 40 GLY HA3 . . 4.530 4.155 3.489 4.533 0.003 18 0 "[ . 1 . 2]" 2
278 1 44 TYR QD 1 45 PRO HD3 . . 4.230 3.652 3.205 3.767 . 0 0 "[ . 1 . 2]" 2
279 1 44 TYR HA 1 44 TYR QD . . 3.410 2.693 2.130 2.860 . 0 0 "[ . 1 . 2]" 2
280 1 43 ARG QD 1 44 TYR QD . . 5.150 4.538 4.230 4.840 . 0 0 "[ . 1 . 2]" 2
281 1 44 TYR QD 1 46 GLU QB . . 5.500 5.491 5.454 5.540 0.040 20 0 "[ . 1 . 2]" 2
282 1 44 TYR QD 1 47 VAL MG2 . . 3.540 2.616 2.222 2.731 . 0 0 "[ . 1 . 2]" 2
283 1 43 ARG HG2 1 44 TYR QD . . 4.610 3.297 3.003 4.204 . 0 0 "[ . 1 . 2]" 2
284 1 43 ARG HG3 1 44 TYR QD . . 4.710 3.540 3.067 3.753 . 0 0 "[ . 1 . 2]" 2
285 1 30 PHE QE 1 40 GLY HA3 . . 4.220 3.560 2.401 4.223 0.003 6 0 "[ . 1 . 2]" 2
286 1 30 PHE QE 1 40 GLY HA2 . . 4.040 3.181 2.375 3.735 . 0 0 "[ . 1 . 2]" 2
287 1 40 GLY HA2 1 43 ARG HB3 . . 4.530 2.534 2.435 2.672 . 0 0 "[ . 1 . 2]" 2
288 1 40 GLY HA2 1 43 ARG HG2 . . 4.480 3.442 2.909 3.780 . 0 0 "[ . 1 . 2]" 2
289 1 40 GLY HA2 1 43 ARG HG3 . . 4.920 4.665 4.421 4.882 . 0 0 "[ . 1 . 2]" 2
290 1 20 VAL MG1 1 22 ARG H . . 4.790 4.668 4.568 4.761 . 0 0 "[ . 1 . 2]" 2
291 1 20 VAL MG1 1 21 CYS HA . . 3.810 3.605 3.510 3.691 . 0 0 "[ . 1 . 2]" 2
292 1 20 VAL HA 1 20 VAL MG1 . . 2.940 2.475 2.418 2.522 . 0 0 "[ . 1 . 2]" 2
293 1 20 VAL MG1 1 21 CYS HB2 . . 4.470 4.310 4.207 4.436 . 0 0 "[ . 1 . 2]" 2
294 1 20 VAL MG1 1 42 HIS HB3 . . 4.260 2.995 2.793 3.372 . 0 0 "[ . 1 . 2]" 2
295 1 20 VAL MG1 1 21 CYS HB3 . . 3.550 2.787 2.673 2.921 . 0 0 "[ . 1 . 2]" 2
296 1 30 PHE QD 1 43 ARG HB3 . . 4.840 3.210 1.973 3.678 . 0 0 "[ . 1 . 2]" 2
297 1 30 PHE QD 1 43 ARG HG2 . . 5.500 4.998 3.921 5.325 . 0 0 "[ . 1 . 2]" 2
298 1 30 PHE QD 1 39 CYS HA . . 4.590 3.744 2.345 4.419 . 0 0 "[ . 1 . 2]" 2
299 1 30 PHE HA 1 30 PHE QD . . 3.850 2.950 1.941 3.187 . 0 0 "[ . 1 . 2]" 2
300 1 29 GLY HA2 1 30 PHE QD . . 4.800 3.428 2.544 4.348 . 0 0 "[ . 1 . 2]" 2
301 1 29 GLY HA3 1 30 PHE QD . . 4.800 4.561 3.335 4.850 0.050 9 0 "[ . 1 . 2]" 2
302 1 25 VAL MG2 1 38 PHE H . . 4.780 3.923 3.724 4.241 . 0 0 "[ . 1 . 2]" 2
303 1 18 CYS H 1 25 VAL MG2 . . 4.130 2.954 2.366 3.280 . 0 0 "[ . 1 . 2]" 2
304 1 25 VAL MG2 1 30 PHE H . . 4.390 3.599 2.886 4.192 . 0 0 "[ . 1 . 2]" 2
305 1 17 ARG HA 1 25 VAL MG2 . . 3.530 3.036 2.709 3.454 . 0 0 "[ . 1 . 2]" 2
306 1 25 VAL HA 1 25 VAL MG2 . . 3.320 3.190 3.172 3.201 . 0 0 "[ . 1 . 2]" 2
307 1 18 CYS HA 1 25 VAL MG2 . . 3.750 3.053 2.708 3.596 . 0 0 "[ . 1 . 2]" 2
308 1 25 VAL MG2 1 37 THR HB . . 4.200 3.314 2.938 3.754 . 0 0 "[ . 1 . 2]" 2
309 1 25 VAL MG2 1 39 CYS HB2 . . 5.500 5.457 5.295 5.527 0.027 19 0 "[ . 1 . 2]" 2
310 1 25 VAL MG2 1 29 GLY HA3 . . 3.800 2.371 1.890 2.902 . 0 0 "[ . 1 . 2]" 2
311 1 16 ASN HB2 1 25 VAL MG2 . . 3.600 3.072 2.462 3.548 . 0 0 "[ . 1 . 2]" 2
312 1 16 ASN HB3 1 25 VAL MG2 . . 3.600 2.660 2.038 3.230 . 0 0 "[ . 1 . 2]" 2
313 1 23 LYS QD 1 25 VAL MG2 . . 4.900 4.607 3.857 4.935 0.035 20 0 "[ . 1 . 2]" 2
314 1 17 ARG HB3 1 25 VAL MG2 . . 5.500 5.039 4.696 5.408 . 0 0 "[ . 1 . 2]" 2
315 1 17 ARG HG2 1 25 VAL MG2 . . 5.500 4.880 4.589 5.232 . 0 0 "[ . 1 . 2]" 2
316 1 25 VAL HA 1 26 GLY QA . . 4.560 4.106 3.896 4.427 . 0 0 "[ . 1 . 2]" 2
317 1 26 GLY QA 1 27 LEU HA . . 4.800 3.973 3.936 4.032 . 0 0 "[ . 1 . 2]" 2
318 1 25 VAL HB 1 26 GLY QA . . 4.760 4.489 3.909 4.767 0.007 16 0 "[ . 1 . 2]" 2
319 1 26 GLY QA 1 37 THR MG . . 5.500 5.125 4.403 5.521 0.021 10 0 "[ . 1 . 2]" 2
320 1 26 GLY QA 1 28 THR H . . 4.610 3.723 3.143 4.202 . 0 0 "[ . 1 . 2]" 2
321 1 25 VAL MG2 1 26 GLY QA . . 4.830 3.678 3.143 4.402 . 0 0 "[ . 1 . 2]" 2
322 1 26 GLY QA 1 27 LEU QB . . 4.290 4.001 3.834 4.294 0.004 1 0 "[ . 1 . 2]" 2
323 1 33 ARG HA 1 35 GLY HA2 . . 4.800 4.762 4.716 4.812 0.012 10 0 "[ . 1 . 2]" 2
324 1 20 VAL MG2 1 38 PHE HD2 . . 5.460 5.130 4.863 5.481 0.021 6 0 "[ . 1 . 2]" 2
325 1 31 MET HG2 1 35 GLY HA3 . . 5.500 5.485 5.437 5.514 0.014 20 0 "[ . 1 . 2]" 2
326 1 35 GLY HA3 1 36 THR HA . . 4.650 4.571 4.557 4.602 . 0 0 "[ . 1 . 2]" 2
327 1 35 GLY HA2 1 36 THR HA . . 4.530 4.405 4.374 4.425 . 0 0 "[ . 1 . 2]" 2
328 1 38 PHE H 1 38 PHE HB3 . . 4.000 3.844 3.774 3.887 . 0 0 "[ . 1 . 2]" 2
329 1 38 PHE HB3 1 38 PHE HD1 . . 3.430 2.553 2.439 2.647 . 0 0 "[ . 1 . 2]" 2
330 1 38 PHE HB3 1 42 HIS HB2 . . 3.950 2.402 2.276 2.512 . 0 0 "[ . 1 . 2]" 2
331 1 38 PHE HB3 1 42 HIS HA . . 4.680 4.283 4.221 4.369 . 0 0 "[ . 1 . 2]" 2
332 1 20 VAL HB 1 38 PHE HB3 . . 4.520 4.278 4.104 4.524 0.004 6 0 "[ . 1 . 2]" 2
333 1 38 PHE HB2 1 38 PHE HD2 . . 3.480 2.326 2.291 2.395 . 0 0 "[ . 1 . 2]" 2
334 1 38 PHE HB2 1 42 HIS HB2 . . 4.680 4.038 3.884 4.171 . 0 0 "[ . 1 . 2]" 2
335 1 37 THR HA 1 38 PHE HB2 . . 4.690 4.586 4.541 4.641 . 0 0 "[ . 1 . 2]" 2
336 1 30 PHE HB2 1 38 PHE HB2 . . 4.840 3.627 3.085 3.895 . 0 0 "[ . 1 . 2]" 2
337 1 18 CYS HA 1 38 PHE HB3 . . 4.900 4.821 4.666 4.932 0.032 9 0 "[ . 1 . 2]" 2
338 1 18 CYS HA 1 38 PHE HB2 . . 5.500 5.466 5.330 5.525 0.025 11 0 "[ . 1 . 2]" 2
339 1 31 MET ME 1 32 CYS H . . 5.170 5.125 4.852 5.182 0.012 6 0 "[ . 1 . 2]" 2
340 1 31 MET ME 1 37 THR H . . 4.640 4.168 3.950 4.428 . 0 0 "[ . 1 . 2]" 2
341 1 31 MET ME 1 36 THR HA . . 3.900 3.415 3.164 3.668 . 0 0 "[ . 1 . 2]" 2
342 1 31 MET ME 1 35 GLY HA3 . . 4.500 4.420 4.291 4.502 0.002 19 0 "[ . 1 . 2]" 2
343 1 31 MET ME 1 37 THR MG . . 4.100 4.031 3.915 4.110 0.010 8 0 "[ . 1 . 2]" 2
344 1 31 MET ME 1 35 GLY HA2 . . 3.740 3.467 3.286 3.602 . 0 0 "[ . 1 . 2]" 2
345 1 31 MET ME 1 31 MET HG2 . . 3.590 2.924 2.705 3.043 . 0 0 "[ . 1 . 2]" 2
346 1 29 GLY HA2 1 37 THR MG . . 4.390 3.869 3.132 4.381 . 0 0 "[ . 1 . 2]" 2
347 1 25 VAL MG2 1 29 GLY HA2 . . 3.800 3.185 2.771 3.779 . 0 0 "[ . 1 . 2]" 2
348 1 25 VAL MG1 1 29 GLY HA2 . . 4.350 3.334 2.826 4.013 . 0 0 "[ . 1 . 2]" 2
349 1 31 MET ME 1 36 THR H . . 4.510 4.057 3.814 4.322 . 0 0 "[ . 1 . 2]" 2
350 1 31 MET HA 1 31 MET ME . . 4.180 4.014 3.846 4.167 . 0 0 "[ . 1 . 2]" 2
351 1 20 VAL MG2 1 38 PHE HZ . . 5.310 4.083 3.835 4.493 . 0 0 "[ . 1 . 2]" 2
352 1 24 ARG H 1 24 ARG QD . . 5.250 3.578 2.241 5.127 . 0 0 "[ . 1 . 2]" 2
353 1 24 ARG HA 1 24 ARG QD . . 4.280 3.724 2.351 4.313 0.033 18 0 "[ . 1 . 2]" 2
354 1 24 ARG HB2 1 24 ARG QD . . 3.200 2.435 2.045 3.238 0.038 2 0 "[ . 1 . 2]" 2
355 1 24 ARG HB3 1 24 ARG QD . . 3.200 2.744 2.053 3.366 0.166 4 0 "[ . 1 . 2]" 2
356 1 17 ARG HG2 1 24 ARG QD . . 4.740 4.088 2.756 4.902 0.162 19 0 "[ . 1 . 2]" 2
357 1 14 ARG HA 1 14 ARG QD . . 4.310 3.225 2.041 4.265 . 0 0 "[ . 1 . 2]" 2
358 1 17 ARG HB2 1 17 ARG HD2 . . 4.170 2.875 2.416 3.242 . 0 0 "[ . 1 . 2]" 2
359 1 17 ARG HB3 1 17 ARG HD2 . . 3.610 2.522 2.069 3.233 . 0 0 "[ . 1 . 2]" 2
360 1 17 ARG HB3 1 17 ARG HD3 . . 3.610 2.937 2.144 3.601 . 0 0 "[ . 1 . 2]" 2
361 1 17 ARG HD3 1 24 ARG HA . . 5.030 3.983 3.560 4.323 . 0 0 "[ . 1 . 2]" 2
362 1 30 PHE QD 1 43 ARG QD . . 3.820 3.181 1.932 3.537 . 0 0 "[ . 1 . 2]" 2
363 1 40 GLY HA3 1 43 ARG QD . . 4.060 3.760 3.529 4.067 0.007 18 0 "[ . 1 . 2]" 2
364 1 43 ARG HB2 1 43 ARG QD . . 3.540 2.487 2.201 2.753 . 0 0 "[ . 1 . 2]" 2
365 1 40 GLY HA2 1 43 ARG QD . . 3.690 2.392 2.088 2.673 . 0 0 "[ . 1 . 2]" 2
366 1 22 ARG HB2 1 22 ARG HD3 . . 4.030 3.178 2.119 4.222 0.192 3 0 "[ . 1 . 2]" 2
367 1 30 PHE HB2 1 43 ARG QD . . 4.490 3.941 3.565 4.276 . 0 0 "[ . 1 . 2]" 2
368 1 30 PHE QE 1 43 ARG QD . . 4.280 3.226 2.098 3.642 . 0 0 "[ . 1 . 2]" 2
369 1 30 PHE HB3 1 43 ARG QD . . 4.490 4.060 3.371 4.496 0.006 6 0 "[ . 1 . 2]" 2
370 1 22 ARG HA 1 22 ARG HD2 . . 4.270 3.462 2.102 4.328 0.058 9 0 "[ . 1 . 2]" 2
371 1 22 ARG HB2 1 22 ARG HD2 . . 4.030 3.443 3.068 3.639 . 0 0 "[ . 1 . 2]" 2
372 1 22 ARG H 1 22 ARG HD3 . . 4.580 3.295 2.337 4.079 . 0 0 "[ . 1 . 2]" 2
373 1 48 HIS HD2 1 50 CYS H . . 3.810 3.695 3.532 3.809 . 0 0 "[ . 1 . 2]" 2
374 1 48 HIS HD2 1 51 THR H . . 4.430 4.148 3.729 4.446 0.016 6 0 "[ . 1 . 2]" 2
375 1 23 LYS QE 1 39 CYS HB2 . . 4.660 3.247 1.831 4.163 . 0 0 "[ . 1 . 2]" 2
376 1 23 LYS HA 1 23 LYS QE . . 5.500 4.368 3.825 5.436 . 0 0 "[ . 1 . 2]" 2
377 1 23 LYS QE 1 25 VAL HA . . 5.500 3.220 2.025 5.344 . 0 0 "[ . 1 . 2]" 2
378 1 23 LYS HB2 1 23 LYS QE . . 4.530 2.566 1.943 3.875 . 0 0 "[ . 1 . 2]" 2
379 1 36 THR HA 1 37 THR HB . . 5.090 4.857 4.787 4.964 . 0 0 "[ . 1 . 2]" 2
380 1 31 MET ME 1 37 THR HB . . 4.680 4.514 4.283 4.684 0.004 17 0 "[ . 1 . 2]" 2
381 1 17 ARG HA 1 37 THR HB . . 5.490 5.433 5.313 5.501 0.011 20 0 "[ . 1 . 2]" 2
382 1 36 THR HB 1 38 PHE HE2 . . 4.140 3.508 3.231 3.860 . 0 0 "[ . 1 . 2]" 2
383 1 36 THR HB 1 38 PHE HE1 . . 4.710 4.123 3.770 4.423 . 0 0 "[ . 1 . 2]" 2
384 1 36 THR HB 1 38 PHE HZ . . 4.010 3.184 2.935 3.369 . 0 0 "[ . 1 . 2]" 2
385 1 30 PHE H 1 30 PHE HB2 . . 3.960 2.506 2.370 2.777 . 0 0 "[ . 1 . 2]" 2
386 1 30 PHE HB2 1 43 ARG HA . . 4.570 3.199 2.873 3.514 . 0 0 "[ . 1 . 2]" 2
387 1 30 PHE HB2 1 43 ARG HB2 . . 4.010 2.616 2.159 2.894 . 0 0 "[ . 1 . 2]" 2
388 1 30 PHE HB3 1 38 PHE HB2 . . 4.840 4.615 4.276 4.866 0.026 9 0 "[ . 1 . 2]" 2
389 1 30 PHE H 1 30 PHE HB3 . . 3.960 3.685 3.592 3.826 . 0 0 "[ . 1 . 2]" 2
390 1 30 PHE HB3 1 43 ARG HB2 . . 4.010 2.706 2.246 3.078 . 0 0 "[ . 1 . 2]" 2
391 1 30 PHE HB2 1 38 PHE H . . 4.600 3.652 3.129 3.972 . 0 0 "[ . 1 . 2]" 2
392 1 19 THR HB 1 38 PHE HD1 . . 4.380 3.256 2.871 3.648 . 0 0 "[ . 1 . 2]" 2
393 1 19 THR HB 1 36 THR MG . . 3.990 3.799 3.564 3.944 . 0 0 "[ . 1 . 2]" 2
394 1 19 THR HB 1 38 PHE HE1 . . 3.770 2.008 1.985 2.084 . 0 0 "[ . 1 . 2]" 2
395 1 19 THR HB 1 38 PHE HZ . . 4.400 3.462 3.208 3.728 . 0 0 "[ . 1 . 2]" 2
396 1 19 THR HB 1 36 THR HB . . 3.810 3.448 3.217 3.826 0.016 19 0 "[ . 1 . 2]" 2
397 1 45 PRO HA 1 50 CYS H . . 4.230 3.413 3.180 3.597 . 0 0 "[ . 1 . 2]" 2
398 1 45 PRO HA 1 50 CYS HA . . 4.650 4.136 4.050 4.436 . 0 0 "[ . 1 . 2]" 2
399 1 20 VAL HA 1 21 CYS HA . . 4.820 4.543 4.540 4.546 . 0 0 "[ . 1 . 2]" 2
400 1 44 TYR H 1 44 TYR HB3 . . 3.690 3.587 3.580 3.593 . 0 0 "[ . 1 . 2]" 2
401 1 44 TYR HB3 1 46 GLU HG3 . . 4.790 3.641 2.172 4.416 . 0 0 "[ . 1 . 2]" 2
402 1 44 TYR HB3 1 45 PRO HA . . 5.120 4.947 4.900 5.043 . 0 0 "[ . 1 . 2]" 2
403 1 44 TYR HB3 1 46 GLU HG2 . . 4.790 2.560 2.295 3.769 . 0 0 "[ . 1 . 2]" 2
404 1 44 TYR HB3 1 45 PRO QG . . 4.740 3.782 3.723 3.862 . 0 0 "[ . 1 . 2]" 2
405 1 44 TYR HB3 1 46 GLU QB . . 5.160 4.256 4.037 4.351 . 0 0 "[ . 1 . 2]" 2
406 1 44 TYR HB3 1 47 VAL MG2 . . 3.680 2.983 2.793 3.265 . 0 0 "[ . 1 . 2]" 2
407 1 44 TYR HB2 1 45 PRO HD3 . . 4.850 4.783 4.745 4.840 . 0 0 "[ . 1 . 2]" 2
408 1 46 GLU HG2 1 47 VAL MG2 . . 4.010 2.877 2.254 3.863 . 0 0 "[ . 1 . 2]" 2
409 1 44 TYR HB2 1 46 GLU HG2 . . 4.780 3.373 3.008 4.579 . 0 0 "[ . 1 . 2]" 2
410 1 46 GLU H 1 46 GLU HG3 . . 4.240 3.373 1.894 4.002 . 0 0 "[ . 1 . 2]" 2
411 1 46 GLU HA 1 46 GLU HG3 . . 4.070 3.775 3.580 4.153 0.083 18 0 "[ . 1 . 2]" 2
412 1 44 TYR HB2 1 46 GLU HG3 . . 4.780 3.916 3.193 4.704 . 0 0 "[ . 1 . 2]" 2
413 1 12 PRO HA 1 15 PRO HD3 . . 4.470 2.996 2.691 3.286 . 0 0 "[ . 1 . 2]" 2
414 1 12 PRO HA 1 15 PRO HD2 . . 4.470 4.221 3.675 4.466 . 0 0 "[ . 1 . 2]" 2
415 1 46 GLU QB 1 47 VAL HA . . 4.570 4.376 4.239 4.571 0.001 18 0 "[ . 1 . 2]" 2
416 1 47 VAL HA 1 47 VAL MG1 . . 3.250 2.410 2.329 2.479 . 0 0 "[ . 1 . 2]" 2
417 1 48 HIS HD2 1 50 CYS HA . . 3.100 2.475 2.295 2.898 . 0 0 "[ . 1 . 2]" 2
418 1 41 SER HB2 1 42 HIS H . . 4.220 3.849 2.896 4.215 . 0 0 "[ . 1 . 2]" 2
419 1 41 SER HB3 1 42 HIS H . . 4.220 3.057 2.738 3.885 . 0 0 "[ . 1 . 2]" 2
420 1 17 ARG HB2 1 22 ARG HA . . 4.190 3.881 3.235 4.200 0.010 3 0 "[ . 1 . 2]" 2
421 1 17 ARG HB2 1 18 CYS H . . 4.410 4.210 3.977 4.383 . 0 0 "[ . 1 . 2]" 2
422 1 17 ARG HB2 1 24 ARG HA . . 4.420 4.279 4.150 4.397 . 0 0 "[ . 1 . 2]" 2
423 1 17 ARG HB2 1 17 ARG HD3 . . 4.170 3.561 2.864 3.960 . 0 0 "[ . 1 . 2]" 2
424 1 17 ARG HB3 1 24 ARG HA . . 4.510 3.632 3.278 4.009 . 0 0 "[ . 1 . 2]" 2
425 1 17 ARG HB3 1 22 ARG HB2 . . 4.790 4.037 3.526 4.316 . 0 0 "[ . 1 . 2]" 2
426 1 43 ARG HG2 1 44 TYR QE . . 4.640 3.680 3.470 4.310 . 0 0 "[ . 1 . 2]" 2
427 1 44 TYR H 1 44 TYR QE . . 4.830 4.345 4.241 4.674 . 0 0 "[ . 1 . 2]" 2
428 1 43 ARG HG3 1 44 TYR QE . . 4.650 4.054 3.676 4.190 . 0 0 "[ . 1 . 2]" 2
429 1 12 PRO HA 1 13 GLN QG . . 4.840 4.393 3.709 4.806 . 0 0 "[ . 1 . 2]" 2
430 1 23 LYS HB2 1 24 ARG H . . 4.860 4.501 4.431 4.531 . 0 0 "[ . 1 . 2]" 2
431 1 23 LYS H 1 23 LYS HB2 . . 3.750 3.650 3.627 3.674 . 0 0 "[ . 1 . 2]" 2
432 1 18 CYS HB2 1 23 LYS HB2 . . 5.140 5.007 4.845 5.166 0.026 18 0 "[ . 1 . 2]" 2
433 1 23 LYS HB2 1 39 CYS HB3 . . 4.650 4.656 4.582 4.714 0.064 20 0 "[ . 1 . 2]" 2
434 1 23 LYS HB3 1 24 ARG H . . 4.620 4.564 4.424 4.627 0.007 6 0 "[ . 1 . 2]" 2
435 1 23 LYS HB3 1 25 VAL MG1 . . 4.580 4.164 3.861 4.592 0.012 10 0 "[ . 1 . 2]" 2
436 1 23 LYS HB3 1 39 CYS HB2 . . 5.080 5.030 4.887 5.094 0.014 20 0 "[ . 1 . 2]" 2
437 1 23 LYS HB3 1 23 LYS QE . . 4.750 3.413 2.346 4.239 . 0 0 "[ . 1 . 2]" 2
438 1 23 LYS HB3 1 39 CYS HB3 . . 4.310 4.151 3.974 4.336 0.026 5 0 "[ . 1 . 2]" 2
439 1 44 TYR HA 1 44 TYR QE . . 4.590 4.548 4.314 4.602 0.012 7 0 "[ . 1 . 2]" 2
440 1 43 ARG QD 1 44 TYR QE . . 4.700 4.096 3.545 4.595 . 0 0 "[ . 1 . 2]" 2
441 1 44 TYR QE 1 47 VAL MG2 . . 4.590 4.486 4.087 4.614 0.024 20 0 "[ . 1 . 2]" 2
442 1 42 HIS H 1 42 HIS HD2 . . 4.720 3.895 3.683 4.090 . 0 0 "[ . 1 . 2]" 2
443 1 42 HIS HA 1 42 HIS HD2 . . 3.180 2.427 2.374 2.523 . 0 0 "[ . 1 . 2]" 2
444 1 42 HIS HD2 1 47 VAL HB . . 4.630 4.395 4.099 4.604 . 0 0 "[ . 1 . 2]" 2
445 1 20 VAL HB 1 42 HIS HD2 . . 5.400 5.206 4.876 5.404 0.004 20 0 "[ . 1 . 2]" 2
446 1 20 VAL MG1 1 42 HIS HD2 . . 3.890 3.685 3.454 3.870 . 0 0 "[ . 1 . 2]" 2
447 1 20 VAL HB 1 38 PHE HD1 . . 4.690 3.108 2.899 3.413 . 0 0 "[ . 1 . 2]" 2
448 1 20 VAL HB 1 22 ARG H . . 4.340 4.270 4.183 4.380 0.040 6 0 "[ . 1 . 2]" 2
449 1 20 VAL HB 1 42 HIS HB2 . . 3.940 3.063 2.916 3.135 . 0 0 "[ . 1 . 2]" 2
450 1 20 VAL HB 1 21 CYS HA . . 4.910 4.756 4.684 4.808 . 0 0 "[ . 1 . 2]" 2
451 1 21 CYS HB2 1 42 HIS HE1 . . 3.810 3.695 3.506 3.820 0.010 11 0 "[ . 1 . 2]" 2
452 1 21 CYS H 1 21 CYS HB2 . . 3.960 3.821 3.795 3.843 . 0 0 "[ . 1 . 2]" 2
453 1 21 CYS HA 1 21 CYS HB2 . . 3.000 2.426 2.398 2.443 . 0 0 "[ . 1 . 2]" 2
454 1 20 VAL HB 1 21 CYS HB3 . . 4.410 4.006 3.895 4.098 . 0 0 "[ . 1 . 2]" 2
455 1 21 CYS HB3 1 22 ARG H . . 4.410 4.298 4.227 4.399 . 0 0 "[ . 1 . 2]" 2
456 1 20 VAL H 1 21 CYS HB3 . . 5.500 5.049 4.966 5.134 . 0 0 "[ . 1 . 2]" 2
457 1 21 CYS HB2 1 22 ARG H . . 4.600 4.306 4.229 4.383 . 0 0 "[ . 1 . 2]" 2
458 1 21 CYS HB2 1 23 LYS H . . 5.010 4.601 4.497 4.682 . 0 0 "[ . 1 . 2]" 2
459 1 18 CYS HB3 1 21 CYS HB2 . . 5.180 4.760 4.612 4.947 . 0 0 "[ . 1 . 2]" 2
460 1 25 VAL HB 1 39 CYS HB3 . . 5.500 4.517 4.263 4.888 . 0 0 "[ . 1 . 2]" 2
461 1 25 VAL HB 1 39 CYS HA . . 4.270 3.430 3.106 3.823 . 0 0 "[ . 1 . 2]" 2
462 1 25 VAL HB 1 29 GLY HA2 . . 3.770 2.272 1.968 2.791 . 0 0 "[ . 1 . 2]" 2
463 1 25 VAL HB 1 29 GLY HA3 . . 3.770 2.404 2.002 2.868 . 0 0 "[ . 1 . 2]" 2
464 1 25 VAL HB 1 37 THR MG . . 4.570 3.627 3.309 3.933 . 0 0 "[ . 1 . 2]" 2
465 1 25 VAL HB 1 30 PHE H . . 4.710 3.788 3.394 4.133 . 0 0 "[ . 1 . 2]" 2
466 1 25 VAL HA 1 39 CYS HA . . 4.960 4.643 4.164 4.998 0.038 19 0 "[ . 1 . 2]" 2
467 1 45 PRO HB3 1 46 GLU H . . 4.640 3.991 3.945 4.148 . 0 0 "[ . 1 . 2]" 2
468 1 45 PRO HB3 1 50 CYS H . . 4.600 4.322 3.944 4.525 . 0 0 "[ . 1 . 2]" 2
469 1 12 PRO HB2 1 15 PRO HD3 . . 4.670 3.056 2.210 3.848 . 0 0 "[ . 1 . 2]" 2
470 1 12 PRO HB2 1 15 PRO HD2 . . 4.670 3.054 2.077 3.671 . 0 0 "[ . 1 . 2]" 2
471 1 45 PRO HB2 1 50 CYS H . . 4.490 3.268 2.849 3.388 . 0 0 "[ . 1 . 2]" 2
472 1 45 PRO HB2 1 50 CYS QB . . 3.500 1.959 1.904 2.076 . 0 0 "[ . 1 . 2]" 2
473 1 12 PRO HB3 1 15 PRO HD3 . . 4.670 3.903 3.308 4.285 . 0 0 "[ . 1 . 2]" 2
474 1 32 CYS HB3 1 38 PHE HZ . . 5.010 4.709 4.392 4.988 . 0 0 "[ . 1 . 2]" 2
475 1 18 CYS HB2 1 39 CYS H . . 4.000 3.616 3.394 3.884 . 0 0 "[ . 1 . 2]" 2
476 1 18 CYS HB2 1 25 VAL HB . . 5.500 4.886 4.552 5.244 . 0 0 "[ . 1 . 2]" 2
477 1 18 CYS HB2 1 25 VAL MG1 . . 4.070 2.037 1.848 2.238 . 0 0 "[ . 1 . 2]" 2
478 1 18 CYS HB2 1 38 PHE HA . . 4.470 3.539 3.281 3.785 . 0 0 "[ . 1 . 2]" 2
479 1 38 PHE HA 1 42 HIS HB3 . . 5.220 4.908 4.782 5.025 . 0 0 "[ . 1 . 2]" 2
480 1 32 CYS HB2 1 36 THR HB . . 5.410 4.865 4.674 5.108 . 0 0 "[ . 1 . 2]" 2
481 1 18 CYS HB3 1 23 LYS HB3 . . 4.480 3.999 3.823 4.205 . 0 0 "[ . 1 . 2]" 2
482 1 18 CYS HB3 1 20 VAL HB . . 4.880 4.272 4.084 4.458 . 0 0 "[ . 1 . 2]" 2
483 1 17 ARG HB3 1 18 CYS HB3 . . 5.010 4.794 4.568 4.969 . 0 0 "[ . 1 . 2]" 2
484 1 18 CYS HB3 1 25 VAL MG1 . . 4.060 3.487 3.227 3.755 . 0 0 "[ . 1 . 2]" 2
485 1 18 CYS HB3 1 20 VAL H . . 3.770 3.093 2.998 3.161 . 0 0 "[ . 1 . 2]" 2
486 1 18 CYS HB3 1 22 ARG H . . 3.710 1.908 1.875 1.988 . 0 0 "[ . 1 . 2]" 2
487 1 18 CYS HB3 1 21 CYS H . . 4.120 2.417 2.325 2.528 . 0 0 "[ . 1 . 2]" 2
488 1 18 CYS HB3 1 22 ARG HA . . 3.920 2.581 2.326 2.771 . 0 0 "[ . 1 . 2]" 2
489 1 18 CYS HB3 1 22 ARG HB2 . . 5.000 4.801 4.678 4.923 . 0 0 "[ . 1 . 2]" 2
490 1 44 TYR HB3 1 47 VAL HB . . 4.820 4.365 4.175 4.622 . 0 0 "[ . 1 . 2]" 2
491 1 47 VAL H 1 47 VAL HB . . 3.320 2.544 2.498 2.584 . 0 0 "[ . 1 . 2]" 2
492 1 42 HIS HA 1 47 VAL HB . . 4.300 3.004 2.861 3.078 . 0 0 "[ . 1 . 2]" 2
493 1 12 PRO HB3 1 15 PRO HD2 . . 4.670 4.265 3.494 4.675 0.005 19 0 "[ . 1 . 2]" 2
494 1 32 CYS HB3 1 36 THR H . . 4.270 2.765 2.635 2.966 . 0 0 "[ . 1 . 2]" 2
495 1 32 CYS HB3 1 38 PHE HD2 . . 3.930 3.745 3.554 3.920 . 0 0 "[ . 1 . 2]" 2
496 1 32 CYS HB3 1 38 PHE HE2 . . 3.660 2.565 2.240 2.813 . 0 0 "[ . 1 . 2]" 2
497 1 20 VAL MG2 1 42 HIS HB2 . . 3.410 3.179 2.747 3.418 0.008 16 0 "[ . 1 . 2]" 2
498 1 38 PHE HD1 1 42 HIS HB2 . . 4.060 3.492 3.154 3.716 . 0 0 "[ . 1 . 2]" 2
499 1 42 HIS HB2 1 47 VAL HB . . 5.500 5.268 5.093 5.451 . 0 0 "[ . 1 . 2]" 2
500 1 20 VAL MG1 1 42 HIS HB2 . . 4.400 3.690 3.532 3.951 . 0 0 "[ . 1 . 2]" 2
501 1 17 ARG HA 1 18 CYS HB2 . . 4.670 4.464 4.420 4.522 . 0 0 "[ . 1 . 2]" 2
502 1 18 CYS HB2 1 23 LYS HB3 . . 4.610 4.147 3.957 4.504 . 0 0 "[ . 1 . 2]" 2
503 1 18 CYS HB2 1 23 LYS HG2 . . 4.930 2.584 2.337 3.360 . 0 0 "[ . 1 . 2]" 2
504 1 18 CYS HB2 1 23 LYS HG3 . . 4.930 2.883 2.095 3.422 . 0 0 "[ . 1 . 2]" 2
505 1 18 CYS HB2 1 21 CYS H . . 4.090 3.868 3.811 3.938 . 0 0 "[ . 1 . 2]" 2
506 1 42 HIS H 1 42 HIS HB3 . . 3.770 3.746 3.716 3.800 0.030 4 0 "[ . 1 . 2]" 2
507 1 42 HIS HB3 1 47 VAL HB . . 4.470 3.833 3.640 4.078 . 0 0 "[ . 1 . 2]" 2
508 1 20 VAL HB 1 42 HIS HB3 . . 4.200 3.037 2.970 3.118 . 0 0 "[ . 1 . 2]" 2
509 1 39 CYS H 1 42 HIS HB3 . . 4.080 3.927 3.804 4.073 . 0 0 "[ . 1 . 2]" 2
510 1 38 PHE HD1 1 42 HIS HB3 . . 4.090 3.422 2.974 3.694 . 0 0 "[ . 1 . 2]" 2
511 1 32 CYS HB2 1 38 PHE HD2 . . 3.580 2.198 1.995 2.356 . 0 0 "[ . 1 . 2]" 2
512 1 32 CYS HB2 1 38 PHE HE2 . . 3.660 2.163 1.993 2.451 . 0 0 "[ . 1 . 2]" 2
513 1 32 CYS HB2 1 38 PHE HZ . . 4.880 4.605 4.362 4.865 . 0 0 "[ . 1 . 2]" 2
514 1 17 ARG HA 1 18 CYS HB3 . . 5.100 4.806 4.696 4.899 . 0 0 "[ . 1 . 2]" 2
515 1 18 CYS HB3 1 25 VAL MG2 . . 5.030 4.668 4.279 5.041 0.011 5 0 "[ . 1 . 2]" 2
516 1 31 MET HG2 1 35 GLY HA2 . . 4.660 3.775 3.712 3.816 . 0 0 "[ . 1 . 2]" 2
517 1 31 MET HG3 1 35 GLY HA2 . . 4.620 4.226 4.040 4.465 . 0 0 "[ . 1 . 2]" 2
518 1 31 MET ME 1 31 MET HG3 . . 3.820 2.217 2.099 2.299 . 0 0 "[ . 1 . 2]" 2
519 1 52 PHE HA 1 52 PHE QD . . 4.470 2.863 2.144 3.664 . 0 0 "[ . 1 . 2]" 2
520 1 34 CYS H 1 34 CYS HB3 . . 3.830 2.695 2.644 2.810 . 0 0 "[ . 1 . 2]" 2
521 1 23 LYS QD 1 39 CYS HB2 . . 4.140 2.224 1.959 4.065 . 0 0 "[ . 1 . 2]" 2
522 1 23 LYS QD 1 39 CYS HB3 . . 4.120 2.226 1.973 3.535 . 0 0 "[ . 1 . 2]" 2
523 1 18 CYS HA 1 39 CYS HB3 . . 5.230 4.862 4.597 5.067 . 0 0 "[ . 1 . 2]" 2
524 1 48 HIS HE1 1 50 CYS QB . . 4.600 4.110 3.853 4.332 . 0 0 "[ . 1 . 2]" 2
525 1 48 HIS HD2 1 50 CYS QB . . 4.120 3.783 3.415 4.035 . 0 0 "[ . 1 . 2]" 2
526 1 45 PRO HB3 1 50 CYS QB . . 3.290 2.309 2.096 2.401 . 0 0 "[ . 1 . 2]" 2
527 1 45 PRO QG 1 50 CYS QB . . 3.930 3.574 3.505 3.659 . 0 0 "[ . 1 . 2]" 2
528 1 18 CYS HA 1 37 THR MG . . 4.360 3.640 3.312 3.956 . 0 0 "[ . 1 . 2]" 2
529 1 39 CYS H 1 39 CYS HB2 . . 3.900 3.657 3.627 3.718 . 0 0 "[ . 1 . 2]" 2
530 1 39 CYS HB2 1 41 SER H . . 4.320 2.842 2.747 2.994 . 0 0 "[ . 1 . 2]" 2
531 1 39 CYS HB2 1 40 GLY HA3 . . 4.390 4.308 4.142 4.406 0.016 16 0 "[ . 1 . 2]" 2
532 1 25 VAL HA 1 39 CYS HB3 . . 5.080 4.601 4.170 4.821 . 0 0 "[ . 1 . 2]" 2
533 1 18 CYS H 1 39 CYS HB3 . . 5.270 4.896 4.620 5.069 . 0 0 "[ . 1 . 2]" 2
534 1 38 PHE HA 1 39 CYS HB3 . . 4.660 4.506 4.385 4.618 . 0 0 "[ . 1 . 2]" 2
535 1 23 LYS H 1 39 CYS HB3 . . 4.900 4.211 4.032 4.418 . 0 0 "[ . 1 . 2]" 2
536 1 18 CYS HA 1 38 PHE HD1 . . 4.690 4.151 3.741 4.701 0.011 7 0 "[ . 1 . 2]" 2
537 1 18 CYS HA 1 37 THR HB . . 4.370 3.733 3.595 3.861 . 0 0 "[ . 1 . 2]" 2
538 1 18 CYS HA 1 19 THR HA . . 4.520 4.366 4.353 4.379 . 0 0 "[ . 1 . 2]" 2
539 1 14 ARG HB3 1 15 PRO HD2 . . 5.250 4.723 4.607 4.825 . 0 0 "[ . 1 . 2]" 2
540 1 14 ARG HB2 1 15 PRO HD2 . . 5.250 4.721 4.555 4.832 . 0 0 "[ . 1 . 2]" 2
541 1 46 GLU HA 1 50 CYS H . . 4.800 3.423 3.172 3.722 . 0 0 "[ . 1 . 2]" 2
542 1 46 GLU HA 1 48 HIS H . . 4.980 4.626 4.354 4.866 . 0 0 "[ . 1 . 2]" 2
543 1 14 ARG HB3 1 15 PRO HD3 . . 5.250 4.886 4.697 5.088 . 0 0 "[ . 1 . 2]" 2
544 1 14 ARG HB2 1 15 PRO HD3 . . 5.250 4.803 4.632 5.110 . 0 0 "[ . 1 . 2]" 2
545 1 46 GLU HA 1 46 GLU HG2 . . 4.070 3.761 3.546 4.180 0.110 9 0 "[ . 1 . 2]" 2
546 1 46 GLU HA 1 46 GLU QB . . 2.740 2.179 2.172 2.180 . 0 0 "[ . 1 . 2]" 2
547 1 46 GLU HA 1 47 VAL MG2 . . 5.020 4.979 4.860 5.036 0.016 2 0 "[ . 1 . 2]" 2
548 1 24 ARG HB2 1 25 VAL H . . 4.720 4.367 4.193 4.609 . 0 0 "[ . 1 . 2]" 2
549 1 24 ARG H 1 24 ARG HB3 . . 3.990 3.514 2.838 4.047 0.057 10 0 "[ . 1 . 2]" 2
550 1 24 ARG HB3 1 25 VAL H . . 4.720 4.499 4.278 4.652 . 0 0 "[ . 1 . 2]" 2
551 1 18 CYS HB2 1 22 ARG HA . . 4.260 3.688 3.434 3.879 . 0 0 "[ . 1 . 2]" 2
552 1 21 CYS H 1 22 ARG HA . . 4.330 4.034 3.995 4.073 . 0 0 "[ . 1 . 2]" 2
553 1 23 LYS H 1 23 LYS QD . . 4.800 4.131 3.676 4.315 . 0 0 "[ . 1 . 2]" 2
554 1 22 ARG HA 1 23 LYS H . . 3.370 2.620 2.615 2.655 . 0 0 "[ . 1 . 2]" 2
555 1 17 ARG HA 1 22 ARG HA . . 4.810 3.578 3.267 3.764 . 0 0 "[ . 1 . 2]" 2
556 1 22 ARG HA 1 22 ARG HD3 . . 4.270 3.356 2.648 4.264 . 0 0 "[ . 1 . 2]" 2
557 1 17 ARG HB3 1 22 ARG HA . . 3.340 2.457 2.147 2.748 . 0 0 "[ . 1 . 2]" 2
558 1 38 PHE HE1 1 48 HIS HB2 . . 4.270 2.964 2.530 3.276 . 0 0 "[ . 1 . 2]" 2
559 1 20 VAL MG2 1 48 HIS HB2 . . 3.500 2.792 2.641 3.056 . 0 0 "[ . 1 . 2]" 2
560 1 38 PHE HE1 1 48 HIS HB3 . . 4.270 3.309 2.837 3.664 . 0 0 "[ . 1 . 2]" 2
561 1 20 VAL MG2 1 48 HIS HB3 . . 3.500 2.207 2.028 2.433 . 0 0 "[ . 1 . 2]" 2
562 1 40 GLY HA2 1 43 ARG HB2 . . 4.690 4.023 3.905 4.182 . 0 0 "[ . 1 . 2]" 2
563 1 38 PHE HB3 1 43 ARG HB2 . . 5.440 5.315 5.169 5.418 . 0 0 "[ . 1 . 2]" 2
564 1 30 PHE HB3 1 43 ARG HA . . 4.570 3.922 3.557 4.356 . 0 0 "[ . 1 . 2]" 2
565 1 38 PHE HA 1 43 ARG HA . . 4.980 4.879 4.837 4.921 . 0 0 "[ . 1 . 2]" 2
566 1 42 HIS HB2 1 43 ARG HA . . 4.800 4.627 4.544 4.675 . 0 0 "[ . 1 . 2]" 2
567 1 38 PHE HB3 1 43 ARG HA . . 3.240 3.069 2.968 3.169 . 0 0 "[ . 1 . 2]" 2
568 1 38 PHE HB2 1 43 ARG HA . . 3.050 1.999 1.976 2.025 . 0 0 "[ . 1 . 2]" 2
569 1 43 ARG HA 1 43 ARG QD . . 4.490 4.308 4.205 4.443 . 0 0 "[ . 1 . 2]" 2
570 1 43 ARG HA 1 43 ARG HG2 . . 4.130 3.794 3.730 3.904 . 0 0 "[ . 1 . 2]" 2
571 1 30 PHE QD 1 43 ARG HB2 . . 3.990 3.339 2.454 3.649 . 0 0 "[ . 1 . 2]" 2
572 1 43 ARG HB2 1 44 TYR H . . 4.860 3.999 3.937 4.053 . 0 0 "[ . 1 . 2]" 2
573 1 38 PHE HB2 1 43 ARG HB2 . . 4.320 4.101 4.004 4.165 . 0 0 "[ . 1 . 2]" 2
574 1 30 PHE HB3 1 43 ARG HB3 . . 4.070 3.768 3.164 4.102 0.032 9 0 "[ . 1 . 2]" 2
575 1 43 ARG HB3 1 43 ARG QD . . 3.600 2.364 2.241 2.606 . 0 0 "[ . 1 . 2]" 2
576 1 38 PHE HB3 1 43 ARG HB3 . . 5.120 4.715 4.553 4.833 . 0 0 "[ . 1 . 2]" 2
577 1 30 PHE HB2 1 43 ARG HB3 . . 4.070 2.820 2.408 3.175 . 0 0 "[ . 1 . 2]" 2
578 1 38 PHE HB2 1 43 ARG HB3 . . 4.260 3.988 3.865 4.113 . 0 0 "[ . 1 . 2]" 2
579 1 24 ARG HA 1 25 VAL MG2 . . 4.450 3.753 3.467 3.987 . 0 0 "[ . 1 . 2]" 2
580 1 24 ARG HA 1 25 VAL H . . 3.100 2.720 2.618 2.880 . 0 0 "[ . 1 . 2]" 2
581 1 17 ARG HA 1 24 ARG HA . . 3.430 1.993 1.910 2.118 . 0 0 "[ . 1 . 2]" 2
582 1 17 ARG HD2 1 24 ARG HA . . 5.030 4.531 3.927 4.966 . 0 0 "[ . 1 . 2]" 2
583 1 17 ARG HG3 1 24 ARG HA . . 3.810 3.345 2.642 3.696 . 0 0 "[ . 1 . 2]" 2
584 1 17 ARG HG2 1 24 ARG HA . . 3.750 1.982 1.936 2.016 . 0 0 "[ . 1 . 2]" 2
585 1 24 ARG HA 1 25 VAL MG1 . . 4.650 4.440 4.210 4.598 . 0 0 "[ . 1 . 2]" 2
586 1 19 THR HB 1 38 PHE HA . . 5.500 4.747 4.235 5.342 . 0 0 "[ . 1 . 2]" 2
587 1 37 THR HB 1 38 PHE HA . . 5.500 4.548 4.490 4.591 . 0 0 "[ . 1 . 2]" 2
588 1 18 CYS HB3 1 38 PHE HA . . 4.400 4.340 4.274 4.417 0.017 10 0 "[ . 1 . 2]" 2
589 1 20 VAL H 1 38 PHE HA . . 4.630 4.059 3.726 4.253 . 0 0 "[ . 1 . 2]" 2
590 1 38 PHE HA 1 38 PHE HD1 . . 3.690 2.689 2.489 2.961 . 0 0 "[ . 1 . 2]" 2
591 1 18 CYS HA 1 38 PHE HA . . 3.160 2.480 2.323 2.553 . 0 0 "[ . 1 . 2]" 2
592 1 38 PHE HA 1 42 HIS HB2 . . 4.230 3.952 3.856 4.075 . 0 0 "[ . 1 . 2]" 2
593 1 44 TYR HB2 1 46 GLU QB . . 5.220 5.126 4.784 5.224 0.004 9 0 "[ . 1 . 2]" 2
594 1 46 GLU QB 1 47 VAL MG2 . . 4.110 4.102 4.011 4.137 0.027 20 0 "[ . 1 . 2]" 2
595 1 44 TYR HA 1 45 PRO QG . . 3.950 3.945 3.919 3.965 0.015 20 0 "[ . 1 . 2]" 2
596 1 24 ARG H 1 24 ARG HG2 . . 4.400 3.857 2.695 4.423 0.023 6 0 "[ . 1 . 2]" 2
597 1 24 ARG HA 1 24 ARG HG2 . . 4.150 3.441 2.419 3.981 . 0 0 "[ . 1 . 2]" 2
598 1 24 ARG HA 1 24 ARG HG3 . . 4.150 3.130 2.256 4.241 0.091 8 0 "[ . 1 . 2]" 2
599 1 17 ARG HG2 1 25 VAL H . . 4.660 4.330 4.024 4.592 . 0 0 "[ . 1 . 2]" 2
600 1 17 ARG HG2 1 22 ARG HA . . 4.860 4.465 3.701 4.890 0.030 9 0 "[ . 1 . 2]" 2
601 1 17 ARG HG2 1 24 ARG HB3 . . 4.700 3.294 2.349 4.297 . 0 0 "[ . 1 . 2]" 2
602 1 17 ARG HG2 1 24 ARG HB2 . . 4.700 3.824 3.107 4.550 . 0 0 "[ . 1 . 2]" 2
603 1 17 ARG H 1 17 ARG HG3 . . 4.040 3.223 2.740 3.686 . 0 0 "[ . 1 . 2]" 2
604 1 22 ARG HA 1 22 ARG HG3 . . 4.000 3.168 2.378 3.866 . 0 0 "[ . 1 . 2]" 2
605 1 17 ARG HA 1 17 ARG HG3 . . 3.840 3.210 2.885 3.462 . 0 0 "[ . 1 . 2]" 2
606 1 17 ARG HG2 1 18 CYS H . . 4.600 4.154 3.667 4.488 . 0 0 "[ . 1 . 2]" 2
607 1 17 ARG HA 1 17 ARG HG2 . . 3.770 2.381 2.272 2.568 . 0 0 "[ . 1 . 2]" 2
608 1 22 ARG HA 1 22 ARG HG2 . . 4.000 3.257 2.800 3.750 . 0 0 "[ . 1 . 2]" 2
609 1 12 PRO HA 1 15 PRO QG . . 3.500 2.992 2.690 3.498 . 0 0 "[ . 1 . 2]" 2
610 1 14 ARG HA 1 15 PRO QG . . 4.470 4.099 4.068 4.124 . 0 0 "[ . 1 . 2]" 2
611 1 27 LEU HA 1 27 LEU HG . . 3.780 3.064 2.322 3.732 . 0 0 "[ . 1 . 2]" 2
612 1 22 ARG HB2 1 23 LYS H . . 5.080 4.353 4.324 4.381 . 0 0 "[ . 1 . 2]" 2
613 1 14 ARG HA 1 14 ARG QG . . 3.810 2.565 2.179 3.344 . 0 0 "[ . 1 . 2]" 2
614 1 33 ARG HG2 1 34 CYS H . . 4.680 2.526 2.082 3.242 . 0 0 "[ . 1 . 2]" 2
615 1 32 CYS HA 1 33 ARG HG2 . . 4.670 4.349 4.200 4.481 . 0 0 "[ . 1 . 2]" 2
616 1 47 VAL H 1 48 HIS HA . . 5.370 5.387 5.288 5.418 0.048 14 0 "[ . 1 . 2]" 2
617 1 17 ARG HA 1 25 VAL MG1 . . 4.710 3.929 3.669 4.162 . 0 0 "[ . 1 . 2]" 2
618 1 23 LYS HG2 1 25 VAL HA . . 5.010 4.496 4.201 4.848 . 0 0 "[ . 1 . 2]" 2
619 1 23 LYS HG3 1 25 VAL HA . . 5.010 3.128 2.769 4.007 . 0 0 "[ . 1 . 2]" 2
620 1 27 LEU HA 1 27 LEU MD1 . . 4.050 2.789 1.981 3.960 . 0 0 "[ . 1 . 2]" 2
621 1 27 LEU QB 1 27 LEU MD1 . . 3.030 2.148 1.948 2.301 . 0 0 "[ . 1 . 2]" 2
622 1 43 ARG HG3 1 44 TYR HA . . 4.680 3.205 3.117 3.317 . 0 0 "[ . 1 . 2]" 2
623 1 27 LEU HA 1 27 LEU MD2 . . 4.050 2.843 1.959 3.849 . 0 0 "[ . 1 . 2]" 2
624 1 27 LEU QB 1 27 LEU MD2 . . 3.030 2.169 1.993 2.345 . 0 0 "[ . 1 . 2]" 2
625 1 36 THR MG 1 38 PHE HE2 . . 4.960 4.175 4.029 4.482 . 0 0 "[ . 1 . 2]" 2
626 1 36 THR MG 1 38 PHE HE1 . . 5.350 4.466 4.184 4.678 . 0 0 "[ . 1 . 2]" 2
627 1 36 THR MG 1 38 PHE HZ . . 3.470 3.312 3.050 3.483 0.013 6 0 "[ . 1 . 2]" 2
628 1 36 THR HA 1 36 THR MG . . 3.380 2.216 2.099 2.305 . 0 0 "[ . 1 . 2]" 2
629 1 44 TYR HA 1 47 VAL MG2 . . 4.580 4.346 4.227 4.498 . 0 0 "[ . 1 . 2]" 2
630 1 47 VAL HA 1 47 VAL MG2 . . 3.130 2.414 2.373 2.450 . 0 0 "[ . 1 . 2]" 2
631 1 46 GLU HG3 1 47 VAL MG2 . . 4.010 2.552 2.194 3.569 . 0 0 "[ . 1 . 2]" 2
632 1 20 VAL MG2 1 21 CYS HB3 . . 5.320 5.204 5.163 5.235 . 0 0 "[ . 1 . 2]" 2
633 1 20 VAL MG2 1 38 PHE HD1 . . 3.070 2.003 1.914 2.142 . 0 0 "[ . 1 . 2]" 2
634 1 20 VAL MG2 1 48 HIS HA . . 3.200 3.146 3.043 3.210 0.010 16 0 "[ . 1 . 2]" 2
635 1 20 VAL MG2 1 42 HIS HB3 . . 3.340 2.220 1.998 2.487 . 0 0 "[ . 1 . 2]" 2
636 1 20 VAL H 1 20 VAL MG2 . . 3.010 2.912 2.708 3.021 0.011 11 0 "[ . 1 . 2]" 2
637 1 20 VAL MG2 1 21 CYS H . . 3.880 3.904 3.833 3.952 0.072 11 0 "[ . 1 . 2]" 2
638 1 20 VAL MG2 1 38 PHE HE1 . . 3.190 2.169 1.944 2.504 . 0 0 "[ . 1 . 2]" 2
639 1 20 VAL HA 1 20 VAL MG2 . . 2.790 2.276 2.157 2.390 . 0 0 "[ . 1 . 2]" 2
640 1 19 THR HB 1 20 VAL MG2 . . 3.770 3.266 3.116 3.430 . 0 0 "[ . 1 . 2]" 2
641 1 36 THR MG 1 37 THR H . . 3.420 3.277 3.093 3.442 0.022 10 0 "[ . 1 . 2]" 2
642 1 45 PRO HD3 1 46 GLU H . . 4.450 3.849 3.839 3.858 . 0 0 "[ . 1 . 2]" 2
643 1 44 TYR HA 1 45 PRO HD3 . . 2.900 2.268 2.259 2.277 . 0 0 "[ . 1 . 2]" 2
644 1 44 TYR HB3 1 45 PRO HD3 . . 3.850 3.639 3.570 3.738 . 0 0 "[ . 1 . 2]" 2
645 1 44 TYR HA 1 45 PRO HD2 . . 2.940 2.308 2.265 2.342 . 0 0 "[ . 1 . 2]" 2
646 1 30 PHE H 1 37 THR MG . . 3.860 3.109 2.488 3.695 . 0 0 "[ . 1 . 2]" 2
647 1 19 THR H 1 37 THR MG . . 5.250 4.765 4.372 5.254 0.004 11 0 "[ . 1 . 2]" 2
648 1 30 PHE HA 1 37 THR MG . . 4.500 4.295 4.048 4.512 0.012 18 0 "[ . 1 . 2]" 2
649 1 16 ASN HB2 1 37 THR MG . . 4.100 3.715 2.971 4.107 0.007 20 0 "[ . 1 . 2]" 2
650 1 31 MET HG3 1 37 THR MG . . 4.490 4.111 3.764 4.354 . 0 0 "[ . 1 . 2]" 2
651 1 42 HIS HD2 1 47 VAL MG1 . . 2.970 2.007 1.858 2.209 . 0 0 "[ . 1 . 2]" 2
652 1 42 HIS HA 1 47 VAL MG1 . . 3.090 1.996 1.954 2.168 . 0 0 "[ . 1 . 2]" 2
653 1 41 SER HA 1 47 VAL MG1 . . 5.500 5.383 5.104 5.514 0.014 7 0 "[ . 1 . 2]" 2
654 1 42 HIS HB2 1 47 VAL MG1 . . 4.210 3.861 3.674 4.084 . 0 0 "[ . 1 . 2]" 2
655 1 16 ASN HA 1 37 THR MG . . 4.510 4.292 3.906 4.522 0.012 19 0 "[ . 1 . 2]" 2
656 1 30 PHE QD 1 37 THR MG . . 5.450 5.157 4.291 5.452 0.002 13 0 "[ . 1 . 2]" 2
657 1 17 ARG HA 1 37 THR MG . . 5.300 4.845 4.494 5.308 0.008 11 0 "[ . 1 . 2]" 2
658 1 37 THR MG 1 39 CYS HA . . 5.500 4.778 4.663 4.867 . 0 0 "[ . 1 . 2]" 2
659 1 37 THR HA 1 37 THR MG . . 3.230 2.242 2.136 2.361 . 0 0 "[ . 1 . 2]" 2
660 1 29 GLY HA3 1 37 THR MG . . 4.390 3.069 2.608 3.273 . 0 0 "[ . 1 . 2]" 2
661 1 16 ASN HB3 1 37 THR MG . . 4.100 2.495 2.155 2.751 . 0 0 "[ . 1 . 2]" 2
662 1 51 THR HA 1 51 THR MG . . 3.390 2.619 2.201 3.196 . 0 0 "[ . 1 . 2]" 2
663 1 25 VAL MG1 1 30 PHE H . . 4.090 3.771 3.460 4.122 0.032 20 0 "[ . 1 . 2]" 2
664 1 23 LYS H 1 25 VAL MG1 . . 4.870 3.298 3.020 3.678 . 0 0 "[ . 1 . 2]" 2
665 1 25 VAL MG1 1 26 GLY H . . 5.360 3.990 3.730 4.183 . 0 0 "[ . 1 . 2]" 2
666 1 25 VAL MG1 1 39 CYS HA . . 3.050 1.971 1.855 2.165 . 0 0 "[ . 1 . 2]" 2
667 1 25 VAL HA 1 25 VAL MG1 . . 2.950 2.344 2.213 2.443 . 0 0 "[ . 1 . 2]" 2
668 1 18 CYS HA 1 25 VAL MG1 . . 4.180 3.126 2.593 3.450 . 0 0 "[ . 1 . 2]" 2
669 1 25 VAL MG1 1 37 THR HB . . 5.460 4.885 4.494 5.145 . 0 0 "[ . 1 . 2]" 2
670 1 25 VAL MG1 1 39 CYS HB2 . . 3.430 2.874 2.640 3.014 . 0 0 "[ . 1 . 2]" 2
671 1 25 VAL MG1 1 39 CYS HB3 . . 3.230 2.095 1.933 2.296 . 0 0 "[ . 1 . 2]" 2
672 1 25 VAL MG1 1 38 PHE HB2 . . 5.170 4.956 4.645 5.182 0.012 8 0 "[ . 1 . 2]" 2
673 1 23 LYS QD 1 25 VAL MG1 . . 4.010 2.174 1.759 2.485 . 0 0 "[ . 1 . 2]" 2
674 1 19 THR MG 1 20 VAL H . . 4.190 4.187 4.097 4.264 0.074 14 0 "[ . 1 . 2]" 2
675 1 19 THR H 1 19 THR MG . . 4.000 3.788 3.749 3.849 . 0 0 "[ . 1 . 2]" 2
676 1 19 THR MG 1 38 PHE HE1 . . 4.030 3.184 2.837 3.561 . 0 0 "[ . 1 . 2]" 2
677 1 19 THR MG 1 36 THR HB . . 4.190 3.686 3.018 4.166 . 0 0 "[ . 1 . 2]" 2
678 1 19 THR HA 1 19 THR MG . . 2.990 2.255 2.215 2.292 . 0 0 "[ . 1 . 2]" 2
679 1 19 THR MG 1 38 PHE HZ . . 4.290 3.910 3.497 4.282 . 0 0 "[ . 1 . 2]" 2
680 1 28 THR HA 1 28 THR MG . . 2.980 2.381 2.178 3.188 0.208 6 0 "[ . 1 . 2]" 2
681 1 27 LEU QB 1 28 THR MG . . 3.620 3.084 2.766 3.457 . 0 0 "[ . 1 . 2]" 2
682 1 23 LYS QE 1 25 VAL MG1 . . 4.660 2.955 1.767 3.851 . 0 0 "[ . 1 . 2]" 2
683 1 25 VAL MG1 1 38 PHE HA . . 4.460 3.353 2.947 3.631 . 0 0 "[ . 1 . 2]" 2
684 1 25 VAL MG1 1 29 GLY HA3 . . 4.350 3.764 3.164 4.225 . 0 0 "[ . 1 . 2]" 2
685 1 44 TYR QD 1 45 PRO HD2 . . 4.250 2.686 2.594 3.162 . 0 0 "[ . 1 . 2]" 2
686 1 44 TYR H 1 45 PRO HD2 . . 4.990 4.787 4.776 4.795 . 0 0 "[ . 1 . 2]" 2
687 1 44 TYR HB3 1 45 PRO HD2 . . 3.620 2.218 2.136 2.334 . 0 0 "[ . 1 . 2]" 2
688 1 44 TYR HB2 1 45 PRO HD2 . . 4.180 3.760 3.698 3.852 . 0 0 "[ . 1 . 2]" 2
689 1 21 CYS HB3 1 42 HIS HE1 . . 2.830 2.146 1.993 2.270 . 0 0 "[ . 1 . 2]" 2
690 1 21 CYS HA 1 42 HIS HE1 . . 4.540 4.405 4.219 4.551 0.011 17 0 "[ . 1 . 2]" 2
691 1 32 CYS HA 1 48 HIS HE1 . . 4.640 4.575 4.451 4.646 0.006 11 0 "[ . 1 . 2]" 2
692 1 45 PRO HD3 1 48 HIS HE1 . . 4.450 4.314 4.122 4.422 . 0 0 "[ . 1 . 2]" 2
693 1 32 CYS HB3 1 48 HIS HE1 . . 4.180 4.052 3.891 4.184 0.004 7 0 "[ . 1 . 2]" 2
694 1 32 CYS HB2 1 48 HIS HE1 . . 3.530 2.947 2.786 3.176 . 0 0 "[ . 1 . 2]" 2
695 1 45 PRO HA 1 48 HIS HE1 . . 3.470 2.426 2.324 2.676 . 0 0 "[ . 1 . 2]" 2
696 1 45 PRO HB3 1 48 HIS HE1 . . 4.490 3.862 3.751 4.051 . 0 0 "[ . 1 . 2]" 2
697 1 45 PRO QG 1 48 HIS HE1 . . 5.150 5.072 4.990 5.122 . 0 0 "[ . 1 . 2]" 2
698 1 20 VAL MG1 1 42 HIS HE1 . . 3.910 2.418 2.216 2.680 . 0 0 "[ . 1 . 2]" 2
699 1 38 PHE HE2 1 48 HIS HE1 . . 4.540 3.054 2.664 3.776 . 0 0 "[ . 1 . 2]" 2
700 1 38 PHE HD2 1 48 HIS HE1 . . 4.450 3.186 2.883 3.829 . 0 0 "[ . 1 . 2]" 2
701 1 52 PHE QD 1 54 PHE HA . . 4.990 3.960 2.839 4.993 0.003 3 0 "[ . 1 . 2]" 2
702 1 14 ARG HA 1 15 PRO HD2 . . 3.750 2.325 2.283 2.359 . 0 0 "[ . 1 . 2]" 2
703 1 14 ARG HA 1 15 PRO HD3 . . 3.750 3.213 3.169 3.248 . 0 0 "[ . 1 . 2]" 2
704 1 17 ARG HG3 1 18 CYS H . . 5.340 5.145 4.803 5.362 0.022 8 0 "[ . 1 . 2]" 2
705 1 44 TYR HB2 1 47 VAL MG2 . . 2.850 1.894 1.794 1.997 . 0 0 "[ . 1 . 2]" 2
706 1 24 ARG QD 1 25 VAL H . . 5.500 5.106 4.589 5.637 0.137 18 0 "[ . 1 . 2]" 2
707 1 30 PHE QD 1 40 GLY H . . 5.270 3.677 2.757 4.336 . 0 0 "[ . 1 . 2]" 2
708 1 37 THR H 1 37 THR MG . . 3.900 3.894 3.872 3.922 0.022 3 0 "[ . 1 . 2]" 2
709 1 20 VAL MG2 1 38 PHE HA . . 4.520 4.228 4.000 4.470 . 0 0 "[ . 1 . 2]" 2
710 1 37 THR MG 1 38 PHE HA . . 4.420 3.779 3.548 4.077 . 0 0 "[ . 1 . 2]" 2
711 1 30 PHE QD 1 40 GLY HA2 . . 4.430 3.091 2.455 3.532 . 0 0 "[ . 1 . 2]" 2
712 1 43 ARG HA 1 48 HIS HE1 . . 4.790 4.423 3.899 4.666 . 0 0 "[ . 1 . 2]" 2
713 1 33 ARG HG3 1 34 CYS HA . . 4.490 3.289 3.114 3.506 . 0 0 "[ . 1 . 2]" 2
714 1 33 ARG H 1 33 ARG HG3 . . 4.730 3.131 2.503 3.443 . 0 0 "[ . 1 . 2]" 2
715 1 33 ARG HB2 1 34 CYS HA . . 4.720 4.464 4.403 4.565 . 0 0 "[ . 1 . 2]" 2
716 1 47 VAL H 1 47 VAL MG1 . . 3.890 3.763 3.758 3.766 . 0 0 "[ . 1 . 2]" 2
717 1 19 THR MG 1 36 THR MG . . 3.120 2.850 2.379 3.130 0.010 16 0 "[ . 1 . 2]" 2
718 1 44 TYR H 1 47 VAL HB . . 4.750 3.821 3.674 3.944 . 0 0 "[ . 1 . 2]" 2
719 1 8 GLN QB 1 9 PRO QD . . 4.140 2.983 1.858 3.824 . 0 0 "[ . 1 . 2]" 2
720 1 12 PRO QB 1 15 PRO QD . . 3.400 2.626 1.911 3.137 . 0 0 "[ . 1 . 2]" 2
721 1 13 GLN H 1 13 GLN QB . . 3.640 2.421 2.167 2.847 . 0 0 "[ . 1 . 2]" 2
722 1 14 ARG H 1 14 ARG QB . . 3.690 2.923 2.599 3.299 . 0 0 "[ . 1 . 2]" 2
723 1 14 ARG HA 1 15 PRO QD . . 3.270 2.273 2.234 2.306 . 0 0 "[ . 1 . 2]" 2
724 1 14 ARG QB 1 14 ARG QD . . 3.420 2.223 2.009 2.491 . 0 0 "[ . 1 . 2]" 2
725 1 14 ARG QB 1 15 PRO QD . . 3.930 3.786 3.770 3.797 . 0 0 "[ . 1 . 2]" 2
726 1 14 ARG QG 1 15 PRO QD . . 4.910 4.073 3.930 4.250 . 0 0 "[ . 1 . 2]" 2
727 1 16 ASN QB 1 17 ARG H . . 4.170 3.384 2.840 3.782 . 0 0 "[ . 1 . 2]" 2
728 1 16 ASN QB 1 25 VAL H . . 5.340 4.623 4.170 5.154 . 0 0 "[ . 1 . 2]" 2
729 1 16 ASN QB 1 25 VAL HB . . 5.340 4.723 4.100 5.351 0.011 14 0 "[ . 1 . 2]" 2
730 1 16 ASN QB 1 25 VAL MG2 . . 3.150 2.476 1.969 2.930 . 0 0 "[ . 1 . 2]" 2
731 1 16 ASN QB 1 26 GLY QA . . 4.550 3.223 1.976 4.565 0.015 18 0 "[ . 1 . 2]" 2
732 1 17 ARG HA 1 17 ARG QD . . 4.660 3.796 3.611 4.003 . 0 0 "[ . 1 . 2]" 2
733 1 17 ARG HA 1 24 ARG QB . . 4.850 3.995 3.728 4.260 . 0 0 "[ . 1 . 2]" 2
734 1 17 ARG HB2 1 17 ARG QD . . 3.520 2.747 2.369 3.076 . 0 0 "[ . 1 . 2]" 2
735 1 17 ARG HB3 1 17 ARG QD . . 3.110 2.213 2.051 2.390 . 0 0 "[ . 1 . 2]" 2
736 1 17 ARG HG2 1 24 ARG QG . . 5.260 3.098 1.963 4.684 . 0 0 "[ . 1 . 2]" 2
737 1 17 ARG QD 1 22 ARG HA . . 4.060 3.872 3.596 4.088 0.028 11 0 "[ . 1 . 2]" 2
738 1 17 ARG QD 1 22 ARG HB2 . . 4.110 3.845 3.632 4.113 0.003 19 0 "[ . 1 . 2]" 2
739 1 17 ARG QD 1 22 ARG HB3 . . 3.800 2.416 2.052 2.694 . 0 0 "[ . 1 . 2]" 2
740 1 17 ARG QD 1 24 ARG HA . . 4.310 3.718 3.391 4.038 . 0 0 "[ . 1 . 2]" 2
741 1 17 ARG QD 1 24 ARG QB . . 5.180 3.800 2.825 4.824 . 0 0 "[ . 1 . 2]" 2
742 1 17 ARG QD 1 24 ARG QG . . 5.180 3.507 2.093 5.196 0.016 5 0 "[ . 1 . 2]" 2
743 1 18 CYS HB2 1 23 LYS QG . . 4.130 2.286 2.067 2.410 . 0 0 "[ . 1 . 2]" 2
744 1 18 CYS HB3 1 23 LYS QG . . 5.230 3.045 2.740 3.199 . 0 0 "[ . 1 . 2]" 2
745 1 19 THR HA 1 22 ARG QG . . 5.000 3.430 3.239 3.707 . 0 0 "[ . 1 . 2]" 2
746 1 20 VAL MG1 1 48 HIS QB . . 4.580 3.901 3.584 4.188 . 0 0 "[ . 1 . 2]" 2
747 1 21 CYS H 1 22 ARG QD . . 5.020 4.121 3.044 4.967 . 0 0 "[ . 1 . 2]" 2
748 1 22 ARG H 1 22 ARG QG . . 3.310 2.670 2.393 3.113 . 0 0 "[ . 1 . 2]" 2
749 1 22 ARG HA 1 22 ARG QG . . 3.490 2.626 2.346 2.868 . 0 0 "[ . 1 . 2]" 2
750 1 22 ARG HA 1 22 ARG QD . . 3.660 2.944 2.089 3.600 . 0 0 "[ . 1 . 2]" 2
751 1 22 ARG HB3 1 22 ARG QD . . 3.610 2.751 2.050 3.444 . 0 0 "[ . 1 . 2]" 2
752 1 23 LYS H 1 23 LYS QG . . 3.340 2.299 1.870 2.437 . 0 0 "[ . 1 . 2]" 2
753 1 23 LYS HA 1 23 LYS QG . . 3.560 3.350 3.328 3.437 . 0 0 "[ . 1 . 2]" 2
754 1 23 LYS QG 1 24 ARG H . . 3.980 3.659 3.326 3.840 . 0 0 "[ . 1 . 2]" 2
755 1 23 LYS QG 1 25 VAL H . . 3.980 2.635 2.205 3.205 . 0 0 "[ . 1 . 2]" 2
756 1 23 LYS QG 1 25 VAL HA . . 4.360 3.062 2.733 3.826 . 0 0 "[ . 1 . 2]" 2
757 1 23 LYS QG 1 25 VAL MG1 . . 3.890 1.883 1.738 2.223 . 0 0 "[ . 1 . 2]" 2
758 1 23 LYS QG 1 25 VAL MG2 . . 4.360 3.825 3.518 4.238 . 0 0 "[ . 1 . 2]" 2
759 1 24 ARG H 1 24 ARG QB . . 3.470 3.022 2.615 3.348 . 0 0 "[ . 1 . 2]" 2
760 1 24 ARG H 1 24 ARG QG . . 3.850 3.070 2.115 3.806 . 0 0 "[ . 1 . 2]" 2
761 1 24 ARG HA 1 24 ARG QG . . 3.440 2.793 2.230 3.450 0.010 8 0 "[ . 1 . 2]" 2
762 1 24 ARG QB 1 24 ARG QD . . 2.720 2.103 2.010 2.230 . 0 0 "[ . 1 . 2]" 2
763 1 24 ARG QB 1 25 VAL H . . 4.120 3.941 3.831 4.050 . 0 0 "[ . 1 . 2]" 2
764 1 24 ARG QG 1 25 VAL H . . 4.770 4.329 3.672 4.700 . 0 0 "[ . 1 . 2]" 2
765 1 25 VAL HA 1 29 GLY QA . . 5.240 4.016 3.681 4.355 . 0 0 "[ . 1 . 2]" 2
766 1 25 VAL MG1 1 29 GLY QA . . 3.720 3.087 2.639 3.627 . 0 0 "[ . 1 . 2]" 2
767 1 25 VAL MG2 1 29 GLY QA . . 3.150 2.279 1.872 2.784 . 0 0 "[ . 1 . 2]" 2
768 1 26 GLY QA 1 27 LEU QD . . 4.640 4.018 2.890 4.818 0.178 17 0 "[ . 1 . 2]" 2
769 1 27 LEU HA 1 27 LEU QD . . 2.800 2.257 1.904 2.944 0.144 7 0 "[ . 1 . 2]" 2
770 1 27 LEU QB 1 27 LEU QD . . 2.630 1.918 1.758 2.055 . 0 0 "[ . 1 . 2]" 2
771 1 29 GLY QA 1 30 PHE H . . 3.050 2.195 2.110 2.282 . 0 0 "[ . 1 . 2]" 2
772 1 29 GLY QA 1 30 PHE QD . . 4.000 3.326 2.469 4.055 0.055 9 0 "[ . 1 . 2]" 2
773 1 29 GLY QA 1 37 THR MG . . 3.520 2.934 2.572 3.187 . 0 0 "[ . 1 . 2]" 2
774 1 29 GLY QA 1 39 CYS HA . . 4.230 3.461 2.681 4.240 0.010 17 0 "[ . 1 . 2]" 2
775 1 30 PHE H 1 30 PHE QB . . 3.320 2.466 2.339 2.714 . 0 0 "[ . 1 . 2]" 2
776 1 30 PHE HA 1 31 MET QB . . 4.910 4.088 3.957 4.339 . 0 0 "[ . 1 . 2]" 2
777 1 30 PHE QB 1 31 MET H . . 3.860 3.295 2.686 3.911 0.051 18 0 "[ . 1 . 2]" 2
778 1 30 PHE QB 1 37 THR MG . . 5.150 4.315 4.081 4.544 . 0 0 "[ . 1 . 2]" 2
779 1 30 PHE QB 1 38 PHE H . . 3.980 3.499 3.072 3.747 . 0 0 "[ . 1 . 2]" 2
780 1 30 PHE QB 1 38 PHE HB2 . . 4.110 3.499 3.019 3.722 . 0 0 "[ . 1 . 2]" 2
781 1 30 PHE QB 1 43 ARG HB2 . . 3.470 2.333 2.053 2.610 . 0 0 "[ . 1 . 2]" 2
782 1 30 PHE QB 1 43 ARG QD . . 3.820 3.536 3.238 3.809 . 0 0 "[ . 1 . 2]" 2
783 1 31 MET H 1 31 MET QB . . 3.060 2.356 2.183 2.502 . 0 0 "[ . 1 . 2]" 2
784 1 31 MET QB 1 32 CYS H . . 4.140 3.960 3.818 3.995 . 0 0 "[ . 1 . 2]" 2
785 1 31 MET QB 1 37 THR MG . . 3.870 3.351 3.071 3.587 . 0 0 "[ . 1 . 2]" 2
786 1 33 ARG H 1 33 ARG QD . . 4.800 3.778 3.226 4.148 . 0 0 "[ . 1 . 2]" 2
787 1 33 ARG HA 1 33 ARG QD . . 4.730 4.348 4.238 4.495 . 0 0 "[ . 1 . 2]" 2
788 1 33 ARG QD 1 34 CYS H . . 4.390 3.996 3.798 4.110 . 0 0 "[ . 1 . 2]" 2
789 1 34 CYS QB 1 35 GLY H . . 4.340 3.432 3.303 3.480 . 0 0 "[ . 1 . 2]" 2
790 1 34 CYS QB 1 35 GLY HA3 . . 4.560 4.384 4.273 4.433 . 0 0 "[ . 1 . 2]" 2
791 1 34 CYS QB 1 36 THR H . . 4.610 4.409 4.263 4.550 . 0 0 "[ . 1 . 2]" 2
792 1 38 PHE HZ 1 48 HIS QB . . 4.280 3.140 2.832 3.508 . 0 0 "[ . 1 . 2]" 2
793 1 38 PHE HE1 1 48 HIS QB . . 3.680 2.763 2.364 3.039 . 0 0 "[ . 1 . 2]" 2
794 1 39 CYS HB2 1 41 SER QB . . 4.740 3.885 3.664 4.102 . 0 0 "[ . 1 . 2]" 2
795 1 41 SER H 1 41 SER QB . . 3.050 2.325 2.260 2.417 . 0 0 "[ . 1 . 2]" 2
796 1 41 SER QB 1 42 HIS H . . 3.590 2.856 2.686 3.009 . 0 0 "[ . 1 . 2]" 2
797 1 41 SER QB 1 42 HIS HB2 . . 5.320 4.407 4.262 4.523 . 0 0 "[ . 1 . 2]" 2
798 1 42 HIS HB2 1 48 HIS QB . . 5.340 4.819 4.510 4.969 . 0 0 "[ . 1 . 2]" 2
799 1 42 HIS HB3 1 48 HIS QB . . 4.670 3.391 3.139 3.587 . 0 0 "[ . 1 . 2]" 2
800 1 44 TYR HB2 1 46 GLU QG . . 4.130 3.096 2.932 3.470 . 0 0 "[ . 1 . 2]" 2
801 1 44 TYR QD 1 46 GLU QG . . 5.310 3.977 3.704 4.279 . 0 0 "[ . 1 . 2]" 2
802 1 46 GLU H 1 46 GLU QG . . 3.420 2.241 1.879 3.103 . 0 0 "[ . 1 . 2]" 2
803 1 46 GLU HA 1 46 GLU QG . . 3.410 3.343 3.322 3.388 . 0 0 "[ . 1 . 2]" 2
804 1 46 GLU QG 1 47 VAL H . . 3.670 2.070 1.877 2.322 . 0 0 "[ . 1 . 2]" 2
805 1 46 GLU QG 1 47 VAL MG2 . . 3.400 2.310 2.145 2.768 . 0 0 "[ . 1 . 2]" 2
806 1 48 HIS H 1 48 HIS QB . . 3.600 2.720 2.667 2.795 . 0 0 "[ . 1 . 2]" 2
807 1 48 HIS H 1 49 GLY QA . . 4.560 4.400 4.193 4.498 . 0 0 "[ . 1 . 2]" 2
808 1 52 PHE QB 1 53 ASP HA . . 5.200 4.772 4.221 5.196 . 0 0 "[ . 1 . 2]" 2
809 1 53 ASP H 1 53 ASP QB . . 3.190 2.493 2.194 2.977 . 0 0 "[ . 1 . 2]" 2
810 1 53 ASP QB 1 54 PHE H . . 4.150 3.682 2.979 4.062 . 0 0 "[ . 1 . 2]" 2
811 1 54 PHE H 1 54 PHE QB . . 3.100 2.652 2.278 3.224 0.124 11 0 "[ . 1 . 2]" 2
812 1 54 PHE QB 1 55 LYS H . . 3.920 2.983 2.083 3.907 . 0 0 "[ . 1 . 2]" 2
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