NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505977 |
1weq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1weq
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 153
_Distance_constraint_stats_list.Viol_total 18.414
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 24 CYS 0.025 0.004 17 0 "[ . 1 . 2]"
1 29 CYS 0.054 0.007 18 0 "[ . 1 . 2]"
1 49 CYS 0.034 0.005 6 0 "[ . 1 . 2]"
1 52 CYS 0.023 0.010 6 0 "[ . 1 . 2]"
1 58 HIS 0.321 0.025 18 0 "[ . 1 . 2]"
1 61 CYS 0.463 0.025 15 0 "[ . 1 . 2]"
1 73 CYS 0.018 0.003 16 0 "[ . 1 . 2]"
1 76 CYS 0.029 0.006 2 0 "[ . 1 . 2]"
2 1 ZN 0.812 0.025 18 0 "[ . 1 . 2]"
3 1 ZN 0.062 0.010 6 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 24 CYS SG 2 1 ZN ZN . 2.330 2.370 2.341 2.326 2.372 0.004 17 0 "[ . 1 . 2]" 1
2 1 29 CYS SG 2 1 ZN ZN . 2.330 2.370 2.342 2.323 2.371 0.007 18 0 "[ . 1 . 2]" 1
3 1 58 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.330 2.317 2.357 0.013 18 0 "[ . 1 . 2]" 1
4 1 61 CYS SG 2 1 ZN ZN . 2.330 2.370 2.380 2.370 2.391 0.021 15 0 "[ . 1 . 2]" 1
5 1 24 CYS CB 2 1 ZN ZN . 3.250 3.510 3.425 3.265 3.510 . 0 0 "[ . 1 . 2]" 1
6 1 29 CYS CB 2 1 ZN ZN . 3.250 3.510 3.494 3.443 3.514 0.004 18 0 "[ . 1 . 2]" 1
7 1 58 HIS CG 2 1 ZN ZN . 3.250 3.510 3.522 3.514 3.535 0.025 18 0 "[ . 1 . 2]" 1
8 1 61 CYS CB 2 1 ZN ZN . 3.250 3.510 3.237 3.225 3.248 0.025 15 0 "[ . 1 . 2]" 1
9 1 24 CYS SG 1 29 CYS SG . 3.200 4.000 3.935 3.772 4.004 0.004 18 0 "[ . 1 . 2]" 1
10 1 24 CYS SG 1 58 HIS ND1 . 3.200 4.000 3.918 3.752 3.978 . 0 0 "[ . 1 . 2]" 1
11 1 24 CYS SG 1 61 CYS SG . 3.200 4.000 3.628 3.326 3.839 . 0 0 "[ . 1 . 2]" 1
12 1 29 CYS SG 1 58 HIS ND1 . 3.200 4.000 3.996 3.946 4.004 0.004 4 0 "[ . 1 . 2]" 1
13 1 29 CYS SG 1 61 CYS SG . 3.200 4.000 3.403 3.230 3.599 . 0 0 "[ . 1 . 2]" 1
14 1 58 HIS ND1 1 61 CYS SG . 3.200 4.000 3.960 3.938 3.977 . 0 0 "[ . 1 . 2]" 1
15 1 49 CYS SG 3 1 ZN ZN . 2.330 2.370 2.338 2.326 2.364 0.004 6 0 "[ . 1 . 2]" 1
16 1 52 CYS SG 3 1 ZN ZN . 2.330 2.370 2.340 2.320 2.364 0.010 6 0 "[ . 1 . 2]" 1
17 1 73 CYS SG 3 1 ZN ZN . 2.330 2.370 2.337 2.327 2.362 0.003 20 0 "[ . 1 . 2]" 1
18 1 76 CYS SG 3 1 ZN ZN . 2.330 2.370 2.339 2.324 2.362 0.006 2 0 "[ . 1 . 2]" 1
19 1 49 CYS CB 3 1 ZN ZN . 3.250 3.510 3.463 3.351 3.515 0.005 6 0 "[ . 1 . 2]" 1
20 1 52 CYS CB 3 1 ZN ZN . 3.250 3.510 3.425 3.277 3.515 0.005 6 0 "[ . 1 . 2]" 1
21 1 73 CYS CB 3 1 ZN ZN . 3.250 3.510 3.466 3.333 3.510 . 20 0 "[ . 1 . 2]" 1
22 1 76 CYS CB 3 1 ZN ZN . 3.250 3.510 3.471 3.311 3.515 0.005 2 0 "[ . 1 . 2]" 1
23 1 49 CYS SG 1 52 CYS SG . 3.200 4.000 3.688 3.315 3.937 . 0 0 "[ . 1 . 2]" 1
24 1 49 CYS SG 1 73 CYS SG . 3.200 4.000 3.984 3.898 4.003 0.003 16 0 "[ . 1 . 2]" 1
25 1 49 CYS SG 1 76 CYS SG . 3.200 4.000 3.978 3.853 4.004 0.004 2 0 "[ . 1 . 2]" 1
26 1 52 CYS SG 1 73 CYS SG . 3.200 4.000 3.778 3.509 4.000 . 1 0 "[ . 1 . 2]" 1
27 1 52 CYS SG 1 76 CYS SG . 3.200 4.000 3.872 3.667 4.001 0.001 4 0 "[ . 1 . 2]" 1
28 1 73 CYS SG 1 76 CYS SG . 3.200 4.000 3.529 3.199 3.788 0.001 20 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 1132
_Distance_constraint_stats_list.Viol_count 533
_Distance_constraint_stats_list.Viol_total 157.223
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.018 0.018 12 0 "[ . 1 . 2]"
1 10 GLU 0.003 0.002 19 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.003 0.002 19 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.027 0.020 18 0 "[ . 1 . 2]"
1 17 LEU 0.161 0.093 17 0 "[ . 1 . 2]"
1 18 TYR 0.681 0.149 14 0 "[ . 1 . 2]"
1 19 GLN 0.228 0.149 14 0 "[ . 1 . 2]"
1 20 ARG 0.143 0.049 7 0 "[ . 1 . 2]"
1 21 TYR 0.259 0.035 12 0 "[ . 1 . 2]"
1 22 ARG 0.044 0.044 16 0 "[ . 1 . 2]"
1 23 HIS 0.009 0.006 1 0 "[ . 1 . 2]"
1 24 CYS 0.354 0.025 18 0 "[ . 1 . 2]"
1 25 ASP 0.038 0.023 15 0 "[ . 1 . 2]"
1 26 ALA 0.599 0.049 18 0 "[ . 1 . 2]"
1 27 PRO 0.324 0.050 15 0 "[ . 1 . 2]"
1 28 ILE 0.092 0.021 5 0 "[ . 1 . 2]"
1 29 CYS 0.266 0.026 20 0 "[ . 1 . 2]"
1 30 LEU 0.352 0.069 12 0 "[ . 1 . 2]"
1 31 TYR 0.120 0.021 15 0 "[ . 1 . 2]"
1 32 GLU 0.029 0.012 6 0 "[ . 1 . 2]"
1 33 GLN 0.122 0.031 7 0 "[ . 1 . 2]"
1 34 GLY 0.017 0.012 6 0 "[ . 1 . 2]"
1 35 ARG 0.295 0.031 7 0 "[ . 1 . 2]"
1 36 ASP 0.529 0.067 20 0 "[ . 1 . 2]"
1 37 SER 0.598 0.067 20 0 "[ . 1 . 2]"
1 38 PHE 0.351 0.053 15 0 "[ . 1 . 2]"
1 39 GLU 0.564 0.160 11 0 "[ . 1 . 2]"
1 40 ASP 0.166 0.160 11 0 "[ . 1 . 2]"
1 41 GLU 0.112 0.079 17 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.104 0.031 12 0 "[ . 1 . 2]"
1 44 TRP 0.448 0.069 12 0 "[ . 1 . 2]"
1 45 ARG 0.065 0.019 20 0 "[ . 1 . 2]"
1 46 LEU 0.057 0.014 10 0 "[ . 1 . 2]"
1 47 ILE 0.343 0.023 17 0 "[ . 1 . 2]"
1 48 LEU 0.200 0.035 18 0 "[ . 1 . 2]"
1 49 CYS 0.074 0.028 6 0 "[ . 1 . 2]"
1 50 ALA 0.172 0.051 13 0 "[ . 1 . 2]"
1 51 THR 0.065 0.019 6 0 "[ . 1 . 2]"
1 52 CYS 0.015 0.015 13 0 "[ . 1 . 2]"
1 53 GLY 0.159 0.033 17 0 "[ . 1 . 2]"
1 54 SER 0.078 0.042 16 0 "[ . 1 . 2]"
1 55 HIS 0.077 0.042 16 0 "[ . 1 . 2]"
1 56 GLY 0.144 0.023 18 0 "[ . 1 . 2]"
1 57 THR 0.330 0.049 18 0 "[ . 1 . 2]"
1 58 HIS 0.725 0.061 7 0 "[ . 1 . 2]"
1 59 ARG 0.332 0.073 15 0 "[ . 1 . 2]"
1 60 ASP 0.032 0.011 10 0 "[ . 1 . 2]"
1 61 CYS 0.506 0.057 6 0 "[ . 1 . 2]"
1 62 SER 0.521 0.081 10 0 "[ . 1 . 2]"
1 63 SER 0.150 0.050 15 0 "[ . 1 . 2]"
1 64 LEU 0.358 0.073 15 0 "[ . 1 . 2]"
1 65 ARG 0.355 0.252 19 0 "[ . 1 . 2]"
1 66 PRO 0.363 0.252 19 0 "[ . 1 . 2]"
1 68 SER 0.028 0.028 20 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.249 0.057 17 0 "[ . 1 . 2]"
1 71 TRP 0.270 0.056 9 0 "[ . 1 . 2]"
1 72 GLU 0.137 0.029 13 0 "[ . 1 . 2]"
1 73 CYS 0.065 0.021 2 0 "[ . 1 . 2]"
1 74 ASN 0.025 0.007 18 0 "[ . 1 . 2]"
1 75 GLU 0.114 0.058 20 0 "[ . 1 . 2]"
1 76 CYS 0.096 0.019 6 0 "[ . 1 . 2]"
1 77 LEU 0.012 0.005 11 0 "[ . 1 . 2]"
1 78 PRO 0.715 0.113 2 0 "[ . 1 . 2]"
1 79 ALA 0.715 0.113 2 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 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 29 CYS HA 1 30 LEU H . . 3.220 2.207 2.140 2.288 . 0 0 "[ . 1 . 2]" 2
2 1 30 LEU H 1 30 LEU HB2 . . 3.840 2.679 2.620 2.782 . 0 0 "[ . 1 . 2]" 2
3 1 30 LEU H 1 30 LEU HG . . 3.400 2.526 2.100 2.838 . 0 0 "[ . 1 . 2]" 2
4 1 50 ALA H 1 72 GLU H . . 5.500 5.067 4.526 5.389 . 0 0 "[ . 1 . 2]" 2
5 1 50 ALA H 1 72 GLU HA . . 3.890 2.808 2.178 3.057 . 0 0 "[ . 1 . 2]" 2
6 1 49 CYS HA 1 50 ALA H . . 2.990 2.336 2.289 2.378 . 0 0 "[ . 1 . 2]" 2
7 1 50 ALA H 1 50 ALA MB . . 3.130 2.315 2.206 2.426 . 0 0 "[ . 1 . 2]" 2
8 1 32 GLU H 1 32 GLU QB . . 3.910 2.384 2.142 2.647 . 0 0 "[ . 1 . 2]" 2
9 1 64 LEU MD2 1 71 TRP HE1 . . 4.470 3.937 3.466 4.226 . 0 0 "[ . 1 . 2]" 2
10 1 47 ILE H 1 57 THR H . . 3.650 3.106 2.809 3.307 . 0 0 "[ . 1 . 2]" 2
11 1 46 LEU HA 1 47 ILE H . . 3.110 2.157 2.139 2.198 . 0 0 "[ . 1 . 2]" 2
12 1 47 ILE H 1 47 ILE HB . . 3.570 2.534 2.471 2.614 . 0 0 "[ . 1 . 2]" 2
13 1 47 ILE H 1 47 ILE QG . . 3.640 2.635 2.447 2.802 . 0 0 "[ . 1 . 2]" 2
14 1 47 ILE H 1 47 ILE MG . . 3.870 3.801 3.772 3.838 . 0 0 "[ . 1 . 2]" 2
15 1 46 LEU HB3 1 47 ILE H . . 4.940 4.317 4.140 4.489 . 0 0 "[ . 1 . 2]" 2
16 1 28 ILE HA 1 29 CYS H . . 2.950 2.190 2.170 2.221 . 0 0 "[ . 1 . 2]" 2
17 1 29 CYS H 1 29 CYS HB2 . . 3.750 2.693 2.597 2.779 . 0 0 "[ . 1 . 2]" 2
18 1 29 CYS H 1 29 CYS HB3 . . 3.750 2.895 2.877 2.925 . 0 0 "[ . 1 . 2]" 2
19 1 28 ILE MG 1 29 CYS H . . 3.540 2.258 2.019 2.475 . 0 0 "[ . 1 . 2]" 2
20 1 58 HIS HB3 1 59 ARG H . . 3.490 2.252 2.064 2.837 . 0 0 "[ . 1 . 2]" 2
21 1 58 HIS HA 1 59 ARG H . . 3.140 2.554 2.280 2.667 . 0 0 "[ . 1 . 2]" 2
22 1 59 ARG H 1 59 ARG HB2 . . 3.630 2.435 2.277 2.601 . 0 0 "[ . 1 . 2]" 2
23 1 59 ARG H 1 59 ARG HB3 . . 3.630 2.725 2.620 2.841 . 0 0 "[ . 1 . 2]" 2
24 1 25 ASP H 1 26 ALA H . . 3.510 2.483 1.924 2.832 . 0 0 "[ . 1 . 2]" 2
25 1 24 CYS HA 1 26 ALA H . . 3.930 3.591 3.393 3.854 . 0 0 "[ . 1 . 2]" 2
26 1 26 ALA H 1 26 ALA MB . . 2.990 2.092 2.034 2.176 . 0 0 "[ . 1 . 2]" 2
27 1 23 HIS HA 1 24 CYS H . . 3.400 2.147 2.140 2.159 . 0 0 "[ . 1 . 2]" 2
28 1 24 CYS H 1 24 CYS HB2 . . 3.760 2.689 2.615 2.894 . 0 0 "[ . 1 . 2]" 2
29 1 43 ARG HD3 1 44 TRP HE1 . . 4.740 3.952 2.534 4.753 0.013 13 0 "[ . 1 . 2]" 2
30 1 70 LYS HA 1 71 TRP H . . 2.730 2.278 2.177 2.372 . 0 0 "[ . 1 . 2]" 2
31 1 71 TRP H 1 71 TRP HB2 . . 3.540 3.436 3.375 3.470 . 0 0 "[ . 1 . 2]" 2
32 1 70 LYS HB2 1 71 TRP H . . 4.120 2.933 2.503 3.960 . 0 0 "[ . 1 . 2]" 2
33 1 70 LYS HB3 1 71 TRP H . . 4.120 3.868 2.579 4.176 0.056 9 0 "[ . 1 . 2]" 2
34 1 70 LYS QG 1 71 TRP H . . 4.310 3.713 3.321 4.111 . 0 0 "[ . 1 . 2]" 2
35 1 71 TRP H 1 71 TRP HB3 . . 3.540 2.489 2.464 2.506 . 0 0 "[ . 1 . 2]" 2
36 1 50 ALA MB 1 71 TRP H . . 3.620 3.326 3.068 3.554 . 0 0 "[ . 1 . 2]" 2
37 1 57 THR HA 1 58 HIS H . . 3.370 2.452 2.329 2.474 . 0 0 "[ . 1 . 2]" 2
38 1 58 HIS H 1 58 HIS HB2 . . 3.700 2.700 2.644 2.748 . 0 0 "[ . 1 . 2]" 2
39 1 24 CYS HA 1 58 HIS H . . 4.240 3.808 3.445 4.067 . 0 0 "[ . 1 . 2]" 2
40 1 58 HIS H 1 61 CYS HB3 . . 4.020 2.909 2.719 3.078 . 0 0 "[ . 1 . 2]" 2
41 1 21 TYR HA 1 22 ARG H . . 3.070 2.154 2.139 2.178 . 0 0 "[ . 1 . 2]" 2
42 1 21 TYR QB 1 22 ARG H . . 4.290 3.882 3.709 3.966 . 0 0 "[ . 1 . 2]" 2
43 1 71 TRP HD1 1 72 GLU H . . 3.840 2.768 2.493 3.089 . 0 0 "[ . 1 . 2]" 2
44 1 71 TRP HA 1 72 GLU H . . 2.870 2.269 2.220 2.316 . 0 0 "[ . 1 . 2]" 2
45 1 71 TRP HB2 1 72 GLU H . . 4.350 3.669 3.571 3.808 . 0 0 "[ . 1 . 2]" 2
46 1 72 GLU H 1 72 GLU HB3 . . 3.950 3.690 3.606 3.785 . 0 0 "[ . 1 . 2]" 2
47 1 72 GLU H 1 72 GLU HB2 . . 3.350 2.512 2.422 2.743 . 0 0 "[ . 1 . 2]" 2
48 1 47 ILE HA 1 48 LEU H . . 2.970 2.143 2.140 2.151 . 0 0 "[ . 1 . 2]" 2
49 1 48 LEU H 1 48 LEU HB2 . . 3.420 2.376 2.291 2.485 . 0 0 "[ . 1 . 2]" 2
50 1 48 LEU H 1 48 LEU HG . . 3.590 2.936 2.726 3.176 . 0 0 "[ . 1 . 2]" 2
51 1 48 LEU H 1 48 LEU HB3 . . 3.860 3.614 3.556 3.675 . 0 0 "[ . 1 . 2]" 2
52 1 47 ILE QG 1 48 LEU H . . 4.260 4.134 4.064 4.205 . 0 0 "[ . 1 . 2]" 2
53 1 48 LEU H 1 48 LEU MD1 . . 4.270 3.795 3.511 4.063 . 0 0 "[ . 1 . 2]" 2
54 1 48 LEU H 1 48 LEU MD2 . . 4.630 3.932 3.748 4.121 . 0 0 "[ . 1 . 2]" 2
55 1 47 ILE MG 1 48 LEU H . . 3.310 2.584 2.416 2.859 . 0 0 "[ . 1 . 2]" 2
56 1 72 GLU HA 1 73 CYS H . . 3.200 2.238 2.167 2.369 . 0 0 "[ . 1 . 2]" 2
57 1 73 CYS H 1 73 CYS HB2 . . 3.710 3.610 3.576 3.650 . 0 0 "[ . 1 . 2]" 2
58 1 49 CYS HB2 1 73 CYS H . . 3.910 2.884 2.268 3.137 . 0 0 "[ . 1 . 2]" 2
59 1 73 CYS H 1 76 CYS HB2 . . 4.260 2.928 2.740 3.102 . 0 0 "[ . 1 . 2]" 2
60 1 73 CYS H 1 73 CYS HB3 . . 3.590 2.522 2.383 2.647 . 0 0 "[ . 1 . 2]" 2
61 1 72 GLU HB3 1 73 CYS H . . 3.860 2.906 2.517 3.168 . 0 0 "[ . 1 . 2]" 2
62 1 45 ARG HA 1 46 LEU H . . 3.170 2.205 2.145 2.316 . 0 0 "[ . 1 . 2]" 2
63 1 46 LEU H 1 46 LEU HB2 . . 3.440 2.481 2.198 2.796 . 0 0 "[ . 1 . 2]" 2
64 1 45 ARG HB2 1 46 LEU H . . 3.710 3.059 2.675 3.379 . 0 0 "[ . 1 . 2]" 2
65 1 46 LEU H 1 46 LEU HB3 . . 3.440 2.568 2.270 2.868 . 0 0 "[ . 1 . 2]" 2
66 1 78 PRO HA 1 79 ALA H . . 3.160 2.660 2.167 3.273 0.113 2 0 "[ . 1 . 2]" 2
67 1 30 LEU HB3 1 31 TYR H . . 4.180 3.961 3.806 4.138 . 0 0 "[ . 1 . 2]" 2
68 1 79 ALA H 1 79 ALA MB . . 3.250 2.383 2.120 2.827 . 0 0 "[ . 1 . 2]" 2
69 1 30 LEU H 1 31 TYR H . . 3.540 2.032 1.859 2.282 . 0 0 "[ . 1 . 2]" 2
70 1 31 TYR H 1 31 TYR HB2 . . 3.470 2.241 2.191 2.329 . 0 0 "[ . 1 . 2]" 2
71 1 31 TYR H 1 31 TYR HB3 . . 3.470 2.863 2.748 2.937 . 0 0 "[ . 1 . 2]" 2
72 1 13 ALA H 1 13 ALA MB . . 3.590 2.342 2.072 2.732 . 0 0 "[ . 1 . 2]" 2
73 1 9 LEU HA 1 10 GLU H . . 3.100 2.382 2.185 2.548 . 0 0 "[ . 1 . 2]" 2
74 1 10 GLU H 1 10 GLU QG . . 3.930 3.054 2.178 3.844 . 0 0 "[ . 1 . 2]" 2
75 1 10 GLU H 1 10 GLU HB3 . . 3.770 3.519 2.398 3.763 . 0 0 "[ . 1 . 2]" 2
76 1 9 LEU HB3 1 10 GLU H . . 4.030 3.198 2.120 3.933 . 0 0 "[ . 1 . 2]" 2
77 1 8 GLU HA 1 9 LEU H . . 3.140 2.353 2.149 2.555 . 0 0 "[ . 1 . 2]" 2
78 1 8 GLU HB2 1 9 LEU H . . 4.310 3.460 2.232 4.287 . 0 0 "[ . 1 . 2]" 2
79 1 9 LEU H 1 9 LEU HG . . 3.750 2.619 1.890 3.570 . 0 0 "[ . 1 . 2]" 2
80 1 20 ARG HA 1 21 TYR H . . 3.200 2.204 2.141 2.371 . 0 0 "[ . 1 . 2]" 2
81 1 21 TYR H 1 21 TYR QB . . 3.230 2.344 2.254 2.468 . 0 0 "[ . 1 . 2]" 2
82 1 75 GLU H 1 76 CYS H . . 3.170 2.929 2.813 3.027 . 0 0 "[ . 1 . 2]" 2
83 1 76 CYS H 1 76 CYS HB3 . . 3.760 3.578 3.538 3.599 . 0 0 "[ . 1 . 2]" 2
84 1 76 CYS H 1 76 CYS HB2 . . 3.290 2.346 2.251 2.391 . 0 0 "[ . 1 . 2]" 2
85 1 75 GLU QB 1 76 CYS H . . 3.600 2.654 2.495 3.521 . 0 0 "[ . 1 . 2]" 2
86 1 49 CYS H 1 71 TRP HZ3 . . 3.900 2.105 1.900 2.451 . 0 0 "[ . 1 . 2]" 2
87 1 48 LEU HA 1 49 CYS H . . 3.380 2.207 2.162 2.270 . 0 0 "[ . 1 . 2]" 2
88 1 49 CYS H 1 49 CYS HB3 . . 3.480 2.586 2.466 2.706 . 0 0 "[ . 1 . 2]" 2
89 1 48 LEU MD2 1 49 CYS H . . 3.980 3.196 2.832 3.364 . 0 0 "[ . 1 . 2]" 2
90 1 49 CYS H 1 49 CYS HB2 . . 3.560 2.498 2.415 2.624 . 0 0 "[ . 1 . 2]" 2
91 1 48 LEU HB3 1 49 CYS H . . 4.070 3.000 2.786 3.214 . 0 0 "[ . 1 . 2]" 2
92 1 76 CYS HB3 1 77 LEU H . . 3.770 3.278 3.167 3.510 . 0 0 "[ . 1 . 2]" 2
93 1 76 CYS HB2 1 77 LEU H . . 3.590 2.417 2.260 2.624 . 0 0 "[ . 1 . 2]" 2
94 1 77 LEU H 1 77 LEU HG . . 3.090 2.367 2.129 2.572 . 0 0 "[ . 1 . 2]" 2
95 1 77 LEU H 1 77 LEU HB2 . . 3.260 2.442 2.333 2.577 . 0 0 "[ . 1 . 2]" 2
96 1 77 LEU H 1 77 LEU MD1 . . 4.320 3.538 3.252 3.682 . 0 0 "[ . 1 . 2]" 2
97 1 77 LEU H 1 77 LEU MD2 . . 4.780 3.555 3.352 3.743 . 0 0 "[ . 1 . 2]" 2
98 1 45 ARG H 1 59 ARG H . . 3.910 3.221 2.912 3.678 . 0 0 "[ . 1 . 2]" 2
99 1 44 TRP H 1 45 ARG H . . 3.380 3.081 2.281 3.321 . 0 0 "[ . 1 . 2]" 2
100 1 45 ARG H 1 45 ARG HG2 . . 3.780 2.171 1.950 2.461 . 0 0 "[ . 1 . 2]" 2
101 1 45 ARG H 1 45 ARG HB2 . . 4.000 3.672 3.608 3.707 . 0 0 "[ . 1 . 2]" 2
102 1 45 ARG H 1 59 ARG HB3 . . 4.760 4.002 3.675 4.378 . 0 0 "[ . 1 . 2]" 2
103 1 45 ARG H 1 45 ARG HG3 . . 3.780 3.254 2.826 3.564 . 0 0 "[ . 1 . 2]" 2
104 1 45 ARG H 1 45 ARG HB3 . . 3.220 2.727 2.495 2.903 . 0 0 "[ . 1 . 2]" 2
105 1 38 PHE H 1 38 PHE QD . . 3.780 2.550 2.142 3.182 . 0 0 "[ . 1 . 2]" 2
106 1 38 PHE H 1 38 PHE HB2 . . 4.120 2.961 2.838 3.080 . 0 0 "[ . 1 . 2]" 2
107 1 38 PHE H 1 38 PHE HB3 . . 4.120 3.914 3.848 4.006 . 0 0 "[ . 1 . 2]" 2
108 1 64 LEU HB2 1 65 ARG H . . 3.540 3.264 3.097 3.404 . 0 0 "[ . 1 . 2]" 2
109 1 64 LEU HB3 1 65 ARG H . . 3.510 2.028 1.904 2.354 . 0 0 "[ . 1 . 2]" 2
110 1 64 LEU HA 1 65 ARG H . . 2.850 2.600 2.447 2.656 . 0 0 "[ . 1 . 2]" 2
111 1 65 ARG H 1 65 ARG HB3 . . 3.720 3.530 3.480 3.595 . 0 0 "[ . 1 . 2]" 2
112 1 65 ARG H 1 65 ARG HB2 . . 2.910 2.306 2.186 2.435 . 0 0 "[ . 1 . 2]" 2
113 1 64 LEU MD2 1 65 ARG H . . 3.940 3.184 2.767 3.600 . 0 0 "[ . 1 . 2]" 2
114 1 20 ARG H 1 20 ARG HB3 . . 4.160 3.242 2.376 3.589 . 0 0 "[ . 1 . 2]" 2
115 1 20 ARG H 1 20 ARG QG . . 4.000 3.411 2.230 4.031 0.031 16 0 "[ . 1 . 2]" 2
116 1 17 LEU H 1 17 LEU HG . . 3.130 2.675 2.007 3.059 . 0 0 "[ . 1 . 2]" 2
117 1 16 GLU HA 1 17 LEU H . . 3.370 2.442 2.215 2.583 . 0 0 "[ . 1 . 2]" 2
118 1 19 GLN H 1 19 GLN QG . . 4.140 2.707 1.941 3.398 . 0 0 "[ . 1 . 2]" 2
119 1 16 GLU HB3 1 17 LEU H . . 4.230 3.681 3.077 4.088 . 0 0 "[ . 1 . 2]" 2
120 1 16 GLU HB2 1 17 LEU H . . 4.230 2.700 2.051 4.063 . 0 0 "[ . 1 . 2]" 2
121 1 43 ARG H 1 43 ARG HG2 . . 3.840 2.256 1.939 3.500 . 0 0 "[ . 1 . 2]" 2
122 1 43 ARG H 1 43 ARG HG3 . . 3.840 3.247 1.886 3.770 . 0 0 "[ . 1 . 2]" 2
123 1 43 ARG H 1 43 ARG QB . . 3.530 2.558 2.392 3.082 . 0 0 "[ . 1 . 2]" 2
124 1 51 THR HB 1 52 CYS H . . 3.400 2.255 1.961 2.613 . 0 0 "[ . 1 . 2]" 2
125 1 52 CYS H 1 52 CYS HB3 . . 3.980 2.825 2.602 2.975 . 0 0 "[ . 1 . 2]" 2
126 1 51 THR MG 1 52 CYS H . . 3.990 3.079 2.607 3.466 . 0 0 "[ . 1 . 2]" 2
127 1 21 TYR QD 1 23 HIS H . . 3.880 3.091 2.602 3.881 0.001 13 0 "[ . 1 . 2]" 2
128 1 22 ARG HA 1 23 HIS H . . 3.290 2.274 2.149 2.640 . 0 0 "[ . 1 . 2]" 2
129 1 40 ASP H 1 40 ASP HB3 . . 3.740 3.010 2.853 3.542 . 0 0 "[ . 1 . 2]" 2
130 1 40 ASP H 1 40 ASP HB2 . . 3.780 2.214 2.176 2.307 . 0 0 "[ . 1 . 2]" 2
131 1 39 GLU HG3 1 40 ASP H . . 5.300 2.750 1.896 4.152 . 0 0 "[ . 1 . 2]" 2
132 1 75 GLU H 1 75 GLU QB . . 3.350 2.298 2.143 2.568 . 0 0 "[ . 1 . 2]" 2
133 1 74 ASN H 1 75 GLU H . . 3.830 2.889 2.757 2.988 . 0 0 "[ . 1 . 2]" 2
134 1 75 GLU H 1 75 GLU QG . . 4.120 3.400 2.069 4.083 . 0 0 "[ . 1 . 2]" 2
135 1 60 ASP HA 1 64 LEU H . . 3.480 3.077 2.850 3.325 . 0 0 "[ . 1 . 2]" 2
136 1 63 SER HA 1 64 LEU H . . 3.270 2.729 2.613 2.847 . 0 0 "[ . 1 . 2]" 2
137 1 64 LEU H 1 64 LEU HB2 . . 3.040 2.432 2.280 2.614 . 0 0 "[ . 1 . 2]" 2
138 1 64 LEU H 1 64 LEU HG . . 3.010 2.633 2.312 2.807 . 0 0 "[ . 1 . 2]" 2
139 1 64 LEU H 1 64 LEU MD2 . . 4.210 3.764 3.514 3.942 . 0 0 "[ . 1 . 2]" 2
140 1 64 LEU H 1 64 LEU MD1 . . 4.250 3.647 3.454 3.743 . 0 0 "[ . 1 . 2]" 2
141 1 60 ASP H 1 61 CYS H . . 3.780 2.659 2.563 2.786 . 0 0 "[ . 1 . 2]" 2
142 1 38 PHE HA 1 39 GLU H . . 3.260 2.411 2.246 2.523 . 0 0 "[ . 1 . 2]" 2
143 1 39 GLU H 1 44 TRP HB2 . . 3.530 3.388 3.088 3.544 0.014 5 0 "[ . 1 . 2]" 2
144 1 38 PHE HB2 1 39 GLU H . . 4.010 3.364 3.079 3.794 . 0 0 "[ . 1 . 2]" 2
145 1 38 PHE HB3 1 39 GLU H . . 4.010 2.532 2.318 2.892 . 0 0 "[ . 1 . 2]" 2
146 1 39 GLU H 1 44 TRP HB3 . . 4.550 3.991 3.633 4.298 . 0 0 "[ . 1 . 2]" 2
147 1 61 CYS H 1 62 SER H . . 3.390 2.707 2.490 2.876 . 0 0 "[ . 1 . 2]" 2
148 1 58 HIS HB2 1 61 CYS H . . 3.280 2.481 2.387 2.540 . 0 0 "[ . 1 . 2]" 2
149 1 58 HIS HB3 1 61 CYS H . . 3.840 3.370 3.261 3.433 . 0 0 "[ . 1 . 2]" 2
150 1 61 CYS H 1 61 CYS HB2 . . 3.830 2.462 2.370 2.603 . 0 0 "[ . 1 . 2]" 2
151 1 61 CYS H 1 61 CYS HB3 . . 3.580 2.606 2.504 2.722 . 0 0 "[ . 1 . 2]" 2
152 1 14 PHE H 1 14 PHE HB2 . . 3.740 2.554 2.236 3.166 . 0 0 "[ . 1 . 2]" 2
153 1 14 PHE H 1 14 PHE HB3 . . 3.740 3.461 2.668 3.730 . 0 0 "[ . 1 . 2]" 2
154 1 13 ALA MB 1 14 PHE H . . 4.340 3.515 2.384 3.714 . 0 0 "[ . 1 . 2]" 2
155 1 18 TYR H 1 18 TYR QD . . 4.120 3.101 1.954 4.097 . 0 0 "[ . 1 . 2]" 2
156 1 17 LEU HA 1 18 TYR H . . 3.390 2.432 2.140 3.483 0.093 17 0 "[ . 1 . 2]" 2
157 1 18 TYR H 1 18 TYR HB2 . . 3.740 2.840 2.221 3.591 . 0 0 "[ . 1 . 2]" 2
158 1 18 TYR H 1 18 TYR HB3 . . 3.740 3.135 2.230 3.888 0.148 14 0 "[ . 1 . 2]" 2
159 1 51 THR H 1 52 CYS H . . 3.360 2.969 2.766 3.157 . 0 0 "[ . 1 . 2]" 2
160 1 50 ALA MB 1 51 THR H . . 3.700 2.527 2.307 2.776 . 0 0 "[ . 1 . 2]" 2
161 1 50 ALA H 1 51 THR H . . 3.400 2.187 2.028 2.324 . 0 0 "[ . 1 . 2]" 2
162 1 51 THR H 1 51 THR HB . . 3.230 2.566 2.467 2.868 . 0 0 "[ . 1 . 2]" 2
163 1 51 THR H 1 51 THR MG . . 4.100 3.762 3.702 3.773 . 0 0 "[ . 1 . 2]" 2
164 1 80 SER QB 1 81 GLY H . . 4.430 3.186 2.281 4.054 . 0 0 "[ . 1 . 2]" 2
165 1 60 ASP H 1 60 ASP HB2 . . 3.700 2.529 2.179 3.588 . 0 0 "[ . 1 . 2]" 2
166 1 59 ARG HB2 1 60 ASP H . . 3.720 3.379 3.276 3.510 . 0 0 "[ . 1 . 2]" 2
167 1 60 ASP H 1 60 ASP HB3 . . 3.700 3.050 2.462 3.593 . 0 0 "[ . 1 . 2]" 2
168 1 59 ARG HB3 1 60 ASP H . . 3.720 1.974 1.918 2.085 . 0 0 "[ . 1 . 2]" 2
169 1 44 TRP H 1 44 TRP HB3 . . 3.850 3.671 3.633 3.759 . 0 0 "[ . 1 . 2]" 2
170 1 43 ARG H 1 44 TRP H . . 3.750 2.635 1.975 2.931 . 0 0 "[ . 1 . 2]" 2
171 1 44 TRP H 1 44 TRP HB2 . . 3.440 2.640 2.566 2.760 . 0 0 "[ . 1 . 2]" 2
172 1 43 ARG QB 1 44 TRP H . . 3.960 3.438 2.729 3.936 . 0 0 "[ . 1 . 2]" 2
173 1 36 ASP H 1 37 SER H . . 3.310 3.332 3.234 3.377 0.067 20 0 "[ . 1 . 2]" 2
174 1 37 SER H 1 38 PHE QD . . 4.520 4.287 4.060 4.537 0.017 19 0 "[ . 1 . 2]" 2
175 1 37 SER H 1 37 SER HB2 . . 3.830 2.663 2.220 3.699 . 0 0 "[ . 1 . 2]" 2
176 1 37 SER H 1 37 SER HB3 . . 3.830 3.141 2.591 3.627 . 0 0 "[ . 1 . 2]" 2
177 1 54 SER H 1 55 HIS H . . 3.250 2.217 1.963 2.617 . 0 0 "[ . 1 . 2]" 2
178 1 54 SER H 1 54 SER QB . . 3.420 2.621 2.381 3.032 . 0 0 "[ . 1 . 2]" 2
179 1 49 CYS HB3 1 54 SER H . . 4.040 2.304 2.073 2.585 . 0 0 "[ . 1 . 2]" 2
180 1 53 GLY QA 1 54 SER H . . 3.380 2.639 2.524 2.731 . 0 0 "[ . 1 . 2]" 2
181 1 27 PRO HB3 1 28 ILE H . . 4.040 3.929 3.873 4.037 . 0 0 "[ . 1 . 2]" 2
182 1 27 PRO HB2 1 28 ILE H . . 3.140 2.968 2.868 3.156 0.016 9 0 "[ . 1 . 2]" 2
183 1 28 ILE H 1 28 ILE HB . . 3.130 2.780 2.680 2.878 . 0 0 "[ . 1 . 2]" 2
184 1 28 ILE H 1 28 ILE HG12 . . 3.370 2.966 2.889 3.053 . 0 0 "[ . 1 . 2]" 2
185 1 26 ALA MB 1 28 ILE H . . 3.250 2.758 2.532 2.884 . 0 0 "[ . 1 . 2]" 2
186 1 28 ILE H 1 28 ILE HG13 . . 4.470 4.277 4.173 4.375 . 0 0 "[ . 1 . 2]" 2
187 1 28 ILE H 1 28 ILE MD . . 3.910 3.836 3.655 3.912 0.002 3 0 "[ . 1 . 2]" 2
188 1 28 ILE H 1 28 ILE MG . . 4.110 3.902 3.857 3.939 . 0 0 "[ . 1 . 2]" 2
189 1 73 CYS HA 1 74 ASN H . . 3.320 2.475 2.398 2.556 . 0 0 "[ . 1 . 2]" 2
190 1 73 CYS HB2 1 74 ASN H . . 3.410 2.351 2.162 2.508 . 0 0 "[ . 1 . 2]" 2
191 1 73 CYS HB3 1 74 ASN H . . 3.880 3.781 3.644 3.887 0.007 18 0 "[ . 1 . 2]" 2
192 1 40 ASP H 1 41 GLU H . . 3.560 2.901 2.436 3.060 . 0 0 "[ . 1 . 2]" 2
193 1 40 ASP HB3 1 41 GLU H . . 3.580 2.683 2.533 3.427 . 0 0 "[ . 1 . 2]" 2
194 1 40 ASP HB2 1 41 GLU H . . 3.710 3.591 3.018 3.713 0.003 5 0 "[ . 1 . 2]" 2
195 1 39 GLU HB2 1 41 GLU H . . 4.450 4.145 3.038 4.455 0.005 10 0 "[ . 1 . 2]" 2
196 1 41 GLU H 1 41 GLU HB2 . . 4.150 3.421 2.732 4.053 . 0 0 "[ . 1 . 2]" 2
197 1 41 GLU H 1 41 GLU HB3 . . 4.150 3.651 3.252 3.957 . 0 0 "[ . 1 . 2]" 2
198 1 39 GLU HB3 1 41 GLU H . . 4.450 2.994 2.371 4.529 0.079 17 0 "[ . 1 . 2]" 2
199 1 41 GLU H 1 41 GLU QG . . 3.690 3.026 2.111 3.656 . 0 0 "[ . 1 . 2]" 2
200 1 53 GLY QA 1 55 HIS H . . 4.150 3.728 3.151 4.158 0.008 6 0 "[ . 1 . 2]" 2
201 1 54 SER QB 1 55 HIS H . . 3.990 3.202 2.431 4.032 0.042 16 0 "[ . 1 . 2]" 2
202 1 49 CYS HB3 1 55 HIS H . . 3.990 3.007 2.646 3.222 . 0 0 "[ . 1 . 2]" 2
203 1 55 HIS H 1 55 HIS HB2 . . 3.720 2.553 2.212 2.922 . 0 0 "[ . 1 . 2]" 2
204 1 48 LEU MD2 1 55 HIS H . . 4.540 3.798 2.774 4.543 0.003 14 0 "[ . 1 . 2]" 2
205 1 35 ARG H 1 36 ASP H . . 4.560 4.426 4.351 4.552 . 0 0 "[ . 1 . 2]" 2
206 1 36 ASP H 1 36 ASP HB3 . . 4.070 2.848 2.485 3.577 . 0 0 "[ . 1 . 2]" 2
207 1 60 ASP HA 1 63 SER H . . 4.110 4.017 3.790 4.115 0.005 6 0 "[ . 1 . 2]" 2
208 1 53 GLY H 1 54 SER H . . 3.800 2.596 2.372 2.818 . 0 0 "[ . 1 . 2]" 2
209 1 52 CYS H 1 53 GLY H . . 3.310 2.122 1.939 2.304 . 0 0 "[ . 1 . 2]" 2
210 1 49 CYS HB3 1 53 GLY H . . 3.730 2.108 1.895 2.305 . 0 0 "[ . 1 . 2]" 2
211 1 49 CYS HB2 1 53 GLY H . . 4.110 3.613 3.504 3.733 . 0 0 "[ . 1 . 2]" 2
212 1 56 GLY HA2 1 57 THR H . . 3.530 2.138 2.137 2.143 . 0 0 "[ . 1 . 2]" 2
213 1 57 THR H 1 57 THR MG . . 3.660 2.567 2.346 2.689 . 0 0 "[ . 1 . 2]" 2
214 1 35 ARG H 1 35 ARG HG3 . . 4.190 3.877 3.524 4.115 . 0 0 "[ . 1 . 2]" 2
215 1 35 ARG H 1 35 ARG HG2 . . 3.490 2.642 2.240 2.899 . 0 0 "[ . 1 . 2]" 2
216 1 55 HIS HB3 1 56 GLY H . . 3.970 2.637 2.388 3.058 . 0 0 "[ . 1 . 2]" 2
217 1 56 GLY H 1 71 TRP HH2 . . 3.510 3.472 3.273 3.527 0.017 17 0 "[ . 1 . 2]" 2
218 1 62 SER H 1 63 SER H . . 3.460 2.876 2.738 2.993 . 0 0 "[ . 1 . 2]" 2
219 1 62 SER H 1 62 SER HG . . 4.350 3.847 2.261 4.431 0.081 10 0 "[ . 1 . 2]" 2
220 1 58 HIS HB2 1 62 SER H . . 3.910 3.866 3.769 3.931 0.021 15 0 "[ . 1 . 2]" 2
221 1 62 SER H 1 62 SER HB2 . . 3.690 2.815 2.186 3.487 . 0 0 "[ . 1 . 2]" 2
222 1 62 SER H 1 62 SER HB3 . . 3.690 2.810 2.322 3.485 . 0 0 "[ . 1 . 2]" 2
223 1 61 CYS HB3 1 62 SER H . . 4.280 2.679 2.574 2.754 . 0 0 "[ . 1 . 2]" 2
224 1 33 GLN H 1 34 GLY H . . 3.460 2.942 2.624 3.130 . 0 0 "[ . 1 . 2]" 2
225 1 9 LEU H 1 9 LEU MD1 . . 5.500 3.236 1.875 4.311 . 0 0 "[ . 1 . 2]" 2
226 1 9 LEU H 1 9 LEU MD2 . . 5.500 3.555 1.838 4.305 . 0 0 "[ . 1 . 2]" 2
227 1 8 GLU HB3 1 9 LEU H . . 4.310 3.290 2.121 4.247 . 0 0 "[ . 1 . 2]" 2
228 1 9 LEU MD1 1 10 GLU H . . 5.500 3.871 2.678 5.087 . 0 0 "[ . 1 . 2]" 2
229 1 9 LEU MD2 1 10 GLU H . . 5.500 4.183 3.121 4.958 . 0 0 "[ . 1 . 2]" 2
230 1 12 GLY H 1 13 ALA H . . 5.040 3.200 2.822 3.879 . 0 0 "[ . 1 . 2]" 2
231 1 11 PRO QG 1 12 GLY H . . 4.760 3.593 1.922 4.553 . 0 0 "[ . 1 . 2]" 2
232 1 11 PRO HA 1 13 ALA H . . 4.780 3.927 3.583 4.560 . 0 0 "[ . 1 . 2]" 2
233 1 14 PHE H 1 14 PHE QD . . 4.660 3.146 1.998 4.522 . 0 0 "[ . 1 . 2]" 2
234 1 13 ALA H 1 14 PHE H . . 4.190 3.302 2.271 4.100 . 0 0 "[ . 1 . 2]" 2
235 1 14 PHE HB2 1 15 SER H . . 4.790 4.139 3.249 4.611 . 0 0 "[ . 1 . 2]" 2
236 1 14 PHE HB3 1 15 SER H . . 4.790 3.213 2.286 4.396 . 0 0 "[ . 1 . 2]" 2
237 1 15 SER H 1 16 GLU H . . 5.040 4.469 4.158 4.644 . 0 0 "[ . 1 . 2]" 2
238 1 16 GLU H 1 16 GLU QG . . 4.680 2.860 2.001 4.196 . 0 0 "[ . 1 . 2]" 2
239 1 16 GLU H 1 16 GLU HB2 . . 4.020 3.518 2.328 3.950 . 0 0 "[ . 1 . 2]" 2
240 1 16 GLU H 1 17 LEU H . . 4.850 4.501 4.386 4.642 . 0 0 "[ . 1 . 2]" 2
241 1 18 TYR H 1 19 GLN H . . 3.200 2.601 2.226 3.157 . 0 0 "[ . 1 . 2]" 2
242 1 17 LEU H 1 17 LEU MD1 . . 5.060 3.698 3.395 3.997 . 0 0 "[ . 1 . 2]" 2
243 1 17 LEU H 1 17 LEU MD2 . . 5.060 3.801 3.235 4.168 . 0 0 "[ . 1 . 2]" 2
244 1 18 TYR QD 1 19 GLN H . . 4.840 3.635 2.379 4.840 0.000 9 0 "[ . 1 . 2]" 2
245 1 18 TYR HB2 1 19 GLN H . . 4.390 3.324 2.298 4.422 0.032 17 0 "[ . 1 . 2]" 2
246 1 18 TYR HB3 1 19 GLN H . . 4.390 3.312 2.294 4.435 0.045 14 0 "[ . 1 . 2]" 2
247 1 20 ARG QG 1 21 TYR H . . 4.240 3.418 2.076 4.181 . 0 0 "[ . 1 . 2]" 2
248 1 22 ARG H 1 23 HIS H . . 4.460 3.679 2.984 3.912 . 0 0 "[ . 1 . 2]" 2
249 1 22 ARG H 1 22 ARG QD . . 4.920 4.156 1.906 4.883 . 0 0 "[ . 1 . 2]" 2
250 1 22 ARG H 1 22 ARG HG2 . . 4.170 3.100 2.068 4.214 0.044 16 0 "[ . 1 . 2]" 2
251 1 22 ARG H 1 22 ARG HG3 . . 4.170 3.002 2.180 3.909 . 0 0 "[ . 1 . 2]" 2
252 1 23 HIS H 1 46 LEU MD1 . . 5.310 4.032 3.372 5.175 . 0 0 "[ . 1 . 2]" 2
253 1 23 HIS H 1 24 CYS H . . 4.220 3.995 3.843 4.226 0.006 1 0 "[ . 1 . 2]" 2
254 1 24 CYS H 1 36 ASP HA . . 4.240 3.194 2.844 3.754 . 0 0 "[ . 1 . 2]" 2
255 1 24 CYS H 1 35 ARG HA . . 5.090 4.850 4.656 5.067 . 0 0 "[ . 1 . 2]" 2
256 1 25 ASP H 1 57 THR HB . . 3.900 2.116 1.895 2.720 . 0 0 "[ . 1 . 2]" 2
257 1 26 ALA H 1 57 THR HA . . 4.810 4.778 4.462 4.859 0.049 18 0 "[ . 1 . 2]" 2
258 1 26 ALA H 1 57 THR HB . . 4.040 3.384 2.721 3.707 . 0 0 "[ . 1 . 2]" 2
259 1 28 ILE H 1 29 CYS H . . 4.490 4.349 4.273 4.390 . 0 0 "[ . 1 . 2]" 2
260 1 26 ALA HA 1 28 ILE H . . 4.960 4.649 4.497 4.735 . 0 0 "[ . 1 . 2]" 2
261 1 28 ILE MD 1 29 CYS H . . 3.580 3.506 3.371 3.582 0.002 8 0 "[ . 1 . 2]" 2
262 1 28 ILE HG13 1 29 CYS H . . 5.310 5.263 5.197 5.323 0.013 3 0 "[ . 1 . 2]" 2
263 1 26 ALA MB 1 29 CYS H . . 5.130 4.998 4.906 5.069 . 0 0 "[ . 1 . 2]" 2
264 1 28 ILE HG12 1 29 CYS H . . 5.060 5.004 4.952 5.081 0.021 5 0 "[ . 1 . 2]" 2
265 1 28 ILE HB 1 29 CYS H . . 4.430 4.023 3.927 4.100 . 0 0 "[ . 1 . 2]" 2
266 1 29 CYS H 1 30 LEU HG . . 4.830 4.804 4.682 4.856 0.026 20 0 "[ . 1 . 2]" 2
267 1 30 LEU H 1 61 CYS HB2 . . 5.320 3.662 3.473 3.939 . 0 0 "[ . 1 . 2]" 2
268 1 30 LEU H 1 30 LEU MD2 . . 4.150 3.878 3.558 4.079 . 0 0 "[ . 1 . 2]" 2
269 1 29 CYS HA 1 31 TYR H . . 4.240 3.861 3.626 4.067 . 0 0 "[ . 1 . 2]" 2
270 1 32 GLU H 1 32 GLU HG2 . . 4.830 3.688 2.045 4.645 . 0 0 "[ . 1 . 2]" 2
271 1 32 GLU H 1 32 GLU HG3 . . 4.830 3.709 2.041 4.621 . 0 0 "[ . 1 . 2]" 2
272 1 33 GLN HB3 1 34 GLY H . . 4.930 2.574 2.049 3.528 . 0 0 "[ . 1 . 2]" 2
273 1 32 GLU QB 1 34 GLY H . . 5.500 4.826 4.287 5.486 . 0 0 "[ . 1 . 2]" 2
274 1 34 GLY H 1 35 ARG HG2 . . 5.500 4.608 4.206 5.030 . 0 0 "[ . 1 . 2]" 2
275 1 33 GLN HB2 1 34 GLY H . . 4.930 3.236 2.832 3.540 . 0 0 "[ . 1 . 2]" 2
276 1 31 TYR HB2 1 34 GLY H . . 4.430 4.229 3.840 4.410 . 0 0 "[ . 1 . 2]" 2
277 1 34 GLY H 1 35 ARG H . . 4.340 2.957 2.574 3.422 . 0 0 "[ . 1 . 2]" 2
278 1 35 ARG HA 1 37 SER H . . 5.230 4.295 4.263 4.306 . 0 0 "[ . 1 . 2]" 2
279 1 37 SER H 1 38 PHE H . . 4.890 4.379 4.179 4.527 . 0 0 "[ . 1 . 2]" 2
280 1 38 PHE H 1 39 GLU H . . 4.920 4.416 4.285 4.452 . 0 0 "[ . 1 . 2]" 2
281 1 64 LEU H 1 65 ARG H . . 5.320 4.494 4.438 4.570 . 0 0 "[ . 1 . 2]" 2
282 1 38 PHE QD 1 39 GLU H . . 4.210 4.210 4.090 4.263 0.053 15 0 "[ . 1 . 2]" 2
283 1 63 SER H 1 64 LEU H . . 3.710 2.973 2.856 3.076 . 0 0 "[ . 1 . 2]" 2
284 1 39 GLU H 1 45 ARG HA . . 3.950 2.644 2.037 3.083 . 0 0 "[ . 1 . 2]" 2
285 1 39 GLU HB3 1 40 ASP H . . 4.460 3.306 2.163 3.836 . 0 0 "[ . 1 . 2]" 2
286 1 41 GLU H 1 45 ARG HB3 . . 4.700 4.434 4.056 4.694 . 0 0 "[ . 1 . 2]" 2
287 1 44 TRP H 1 44 TRP HD1 . . 4.050 3.429 3.253 4.053 0.003 12 0 "[ . 1 . 2]" 2
288 1 43 ARG HG3 1 44 TRP H . . 5.240 2.600 2.207 3.855 . 0 0 "[ . 1 . 2]" 2
289 1 43 ARG HG2 1 44 TRP H . . 5.240 2.741 2.018 5.042 . 0 0 "[ . 1 . 2]" 2
290 1 39 GLU H 1 45 ARG H . . 4.930 4.543 4.042 4.906 . 0 0 "[ . 1 . 2]" 2
291 1 43 ARG H 1 45 ARG H . . 4.840 4.570 3.919 4.824 . 0 0 "[ . 1 . 2]" 2
292 1 43 ARG HA 1 45 ARG H . . 4.410 3.698 3.561 3.905 . 0 0 "[ . 1 . 2]" 2
293 1 45 ARG H 1 45 ARG HD2 . . 5.080 4.353 3.931 4.879 . 0 0 "[ . 1 . 2]" 2
294 1 45 ARG H 1 45 ARG HD3 . . 5.080 4.415 3.640 4.720 . 0 0 "[ . 1 . 2]" 2
295 1 44 TRP HB2 1 45 ARG H . . 4.690 4.213 3.960 4.304 . 0 0 "[ . 1 . 2]" 2
296 1 45 ARG H 1 59 ARG HB2 . . 4.760 3.182 2.898 3.409 . 0 0 "[ . 1 . 2]" 2
297 1 46 LEU H 1 46 LEU MD2 . . 4.970 4.192 4.092 4.304 . 0 0 "[ . 1 . 2]" 2
298 1 46 LEU H 1 46 LEU HG . . 4.720 4.358 4.200 4.461 . 0 0 "[ . 1 . 2]" 2
299 1 45 ARG HG2 1 46 LEU H . . 5.140 4.908 4.675 5.068 . 0 0 "[ . 1 . 2]" 2
300 1 38 PHE HB2 1 46 LEU H . . 4.770 2.641 2.277 3.022 . 0 0 "[ . 1 . 2]" 2
301 1 38 PHE QD 1 46 LEU H . . 4.250 3.400 3.074 3.762 . 0 0 "[ . 1 . 2]" 2
302 1 45 ARG H 1 46 LEU H . . 4.890 4.523 4.436 4.619 . 0 0 "[ . 1 . 2]" 2
303 1 39 GLU H 1 46 LEU H . . 5.260 3.975 3.295 4.442 . 0 0 "[ . 1 . 2]" 2
304 1 46 LEU H 1 47 ILE H . . 4.790 4.375 4.227 4.487 . 0 0 "[ . 1 . 2]" 2
305 1 47 ILE H 1 47 ILE MD . . 4.170 3.993 3.787 4.131 . 0 0 "[ . 1 . 2]" 2
306 1 48 LEU HG 1 49 CYS H . . 4.960 4.870 4.741 4.988 0.028 6 0 "[ . 1 . 2]" 2
307 1 49 CYS H 1 56 GLY HA3 . . 5.170 5.098 4.952 5.176 0.006 15 0 "[ . 1 . 2]" 2
308 1 49 CYS H 1 71 TRP HE3 . . 3.800 3.550 3.185 3.751 . 0 0 "[ . 1 . 2]" 2
309 1 49 CYS H 1 50 ALA H . . 4.760 4.647 4.641 4.649 . 0 0 "[ . 1 . 2]" 2
310 1 50 ALA H 1 71 TRP H . . 4.460 4.288 3.925 4.511 0.051 13 0 "[ . 1 . 2]" 2
311 1 50 ALA H 1 73 CYS H . . 4.840 4.186 3.775 4.459 . 0 0 "[ . 1 . 2]" 2
312 1 49 CYS HB3 1 50 ALA H . . 4.750 3.758 3.632 3.901 . 0 0 "[ . 1 . 2]" 2
313 1 50 ALA H 1 70 LYS QE . . 5.500 4.693 3.630 5.508 0.008 11 0 "[ . 1 . 2]" 2
314 1 49 CYS HB2 1 50 ALA H . . 4.820 3.852 3.755 3.932 . 0 0 "[ . 1 . 2]" 2
315 1 51 THR H 1 53 GLY H . . 4.310 4.102 3.820 4.300 . 0 0 "[ . 1 . 2]" 2
316 1 51 THR H 1 72 GLU HA . . 4.370 3.593 3.336 3.874 . 0 0 "[ . 1 . 2]" 2
317 1 51 THR H 1 76 CYS HB3 . . 5.390 5.145 4.622 5.393 0.003 5 0 "[ . 1 . 2]" 2
318 1 49 CYS HB2 1 51 THR H . . 5.500 5.115 4.773 5.388 . 0 0 "[ . 1 . 2]" 2
319 1 51 THR H 1 76 CYS HB2 . . 5.500 5.340 4.877 5.513 0.013 16 0 "[ . 1 . 2]" 2
320 1 51 THR H 1 72 GLU HG2 . . 4.230 3.065 1.896 3.922 . 0 0 "[ . 1 . 2]" 2
321 1 52 CYS H 1 52 CYS HB2 . . 3.980 3.732 3.656 3.800 . 0 0 "[ . 1 . 2]" 2
322 1 49 CYS HB3 1 52 CYS H . . 3.990 3.705 3.434 3.985 . 0 0 "[ . 1 . 2]" 2
323 1 52 CYS H 1 53 GLY QA . . 4.140 3.962 3.803 4.155 0.015 13 0 "[ . 1 . 2]" 2
324 1 49 CYS HA 1 53 GLY H . . 4.960 4.491 4.343 4.694 . 0 0 "[ . 1 . 2]" 2
325 1 51 THR HB 1 53 GLY H . . 5.210 4.217 3.929 4.454 . 0 0 "[ . 1 . 2]" 2
326 1 50 ALA HA 1 53 GLY H . . 4.600 4.514 4.111 4.631 0.031 13 0 "[ . 1 . 2]" 2
327 1 52 CYS H 1 54 SER H . . 4.590 4.401 4.148 4.582 . 0 0 "[ . 1 . 2]" 2
328 1 54 SER H 1 55 HIS HB2 . . 4.290 3.980 3.751 4.162 . 0 0 "[ . 1 . 2]" 2
329 1 49 CYS HB2 1 54 SER H . . 4.190 3.493 3.196 3.826 . 0 0 "[ . 1 . 2]" 2
330 1 48 LEU MD2 1 54 SER H . . 5.190 4.723 4.259 5.119 . 0 0 "[ . 1 . 2]" 2
331 1 49 CYS HB2 1 55 HIS H . . 4.330 3.318 3.060 3.687 . 0 0 "[ . 1 . 2]" 2
332 1 49 CYS H 1 55 HIS H . . 4.070 3.350 2.838 3.885 . 0 0 "[ . 1 . 2]" 2
333 1 55 HIS H 1 56 GLY H . . 5.350 4.503 4.247 4.632 . 0 0 "[ . 1 . 2]" 2
334 1 56 GLY H 1 57 THR H . . 4.790 4.127 4.000 4.252 . 0 0 "[ . 1 . 2]" 2
335 1 56 GLY H 1 57 THR HB . . 4.380 4.247 4.080 4.403 0.023 18 0 "[ . 1 . 2]" 2
336 1 55 HIS HB2 1 56 GLY H . . 4.210 3.867 3.620 4.194 . 0 0 "[ . 1 . 2]" 2
337 1 46 LEU HA 1 57 THR H . . 4.510 4.307 4.113 4.483 . 0 0 "[ . 1 . 2]" 2
338 1 46 LEU HG 1 57 THR H . . 4.550 4.351 3.785 4.560 0.010 20 0 "[ . 1 . 2]" 2
339 1 47 ILE MG 1 57 THR H . . 4.590 4.394 4.242 4.510 . 0 0 "[ . 1 . 2]" 2
340 1 38 PHE HZ 1 58 HIS H . . 5.500 3.875 3.686 4.199 . 0 0 "[ . 1 . 2]" 2
341 1 58 HIS H 1 62 SER H . . 5.500 4.857 4.685 5.025 . 0 0 "[ . 1 . 2]" 2
342 1 26 ALA H 1 58 HIS H . . 5.500 5.039 4.796 5.408 . 0 0 "[ . 1 . 2]" 2
343 1 57 THR H 1 58 HIS H . . 5.500 4.401 4.378 4.417 . 0 0 "[ . 1 . 2]" 2
344 1 58 HIS H 1 61 CYS HB2 . . 4.030 3.839 3.748 3.981 . 0 0 "[ . 1 . 2]" 2
345 1 57 THR HB 1 58 HIS H . . 4.080 3.845 3.738 4.053 . 0 0 "[ . 1 . 2]" 2
346 1 24 CYS HB2 1 58 HIS H . . 4.390 3.857 3.765 3.925 . 0 0 "[ . 1 . 2]" 2
347 1 24 CYS HB3 1 58 HIS H . . 5.500 5.467 5.348 5.509 0.009 20 0 "[ . 1 . 2]" 2
348 1 26 ALA MB 1 58 HIS H . . 4.800 3.810 3.683 4.020 . 0 0 "[ . 1 . 2]" 2
349 1 57 THR MG 1 58 HIS H . . 4.390 2.979 2.748 3.226 . 0 0 "[ . 1 . 2]" 2
350 1 47 ILE QG 1 59 ARG H . . 4.110 3.953 3.571 4.116 0.006 6 0 "[ . 1 . 2]" 2
351 1 59 ARG H 1 59 ARG HG2 . . 4.470 4.376 4.255 4.460 . 0 0 "[ . 1 . 2]" 2
352 1 57 THR MG 1 59 ARG H . . 5.220 4.893 4.729 5.071 . 0 0 "[ . 1 . 2]" 2
353 1 59 ARG H 1 61 CYS H . . 5.030 3.529 3.238 3.969 . 0 0 "[ . 1 . 2]" 2
354 1 58 HIS H 1 59 ARG H . . 5.410 4.576 4.531 4.620 . 0 0 "[ . 1 . 2]" 2
355 1 58 HIS HD2 1 59 ARG H . . 5.500 4.650 4.498 5.071 . 0 0 "[ . 1 . 2]" 2
356 1 44 TRP HA 1 60 ASP H . . 4.650 4.402 3.933 4.656 0.006 14 0 "[ . 1 . 2]" 2
357 1 58 HIS HB2 1 60 ASP H . . 4.970 4.135 3.993 4.207 . 0 0 "[ . 1 . 2]" 2
358 1 60 ASP H 1 62 SER H . . 5.100 4.335 4.233 4.453 . 0 0 "[ . 1 . 2]" 2
359 1 58 HIS HB3 1 60 ASP H . . 4.220 3.847 3.706 3.993 . 0 0 "[ . 1 . 2]" 2
360 1 59 ARG HG2 1 60 ASP H . . 5.210 4.304 3.715 4.520 . 0 0 "[ . 1 . 2]" 2
361 1 26 ALA MB 1 61 CYS H . . 4.980 4.709 4.573 4.834 . 0 0 "[ . 1 . 2]" 2
362 1 59 ARG HA 1 61 CYS H . . 4.700 4.342 3.957 4.719 0.019 18 0 "[ . 1 . 2]" 2
363 1 58 HIS H 1 61 CYS H . . 4.840 4.831 4.665 4.897 0.057 6 0 "[ . 1 . 2]" 2
364 1 59 ARG H 1 62 SER H . . 5.500 4.681 4.559 4.780 . 0 0 "[ . 1 . 2]" 2
365 1 60 ASP HA 1 62 SER H . . 4.690 4.114 4.000 4.248 . 0 0 "[ . 1 . 2]" 2
366 1 61 CYS HB2 1 62 SER H . . 4.360 3.890 3.836 3.952 . 0 0 "[ . 1 . 2]" 2
367 1 62 SER H 1 64 LEU HG . . 4.430 3.845 3.431 4.064 . 0 0 "[ . 1 . 2]" 2
368 1 26 ALA MB 1 62 SER H . . 4.340 3.353 3.199 3.497 . 0 0 "[ . 1 . 2]" 2
369 1 57 THR MG 1 62 SER H . . 4.410 3.243 2.898 3.842 . 0 0 "[ . 1 . 2]" 2
370 1 62 SER HA 1 63 SER H . . 3.250 2.990 2.909 3.099 . 0 0 "[ . 1 . 2]" 2
371 1 61 CYS H 1 63 SER H . . 4.960 4.256 4.044 4.423 . 0 0 "[ . 1 . 2]" 2
372 1 62 SER H 1 64 LEU H . . 4.620 3.780 3.585 4.013 . 0 0 "[ . 1 . 2]" 2
373 1 64 LEU MD1 1 65 ARG H . . 5.300 4.166 3.972 4.465 . 0 0 "[ . 1 . 2]" 2
374 1 71 TRP H 1 71 TRP HE3 . . 4.190 3.748 3.536 4.019 . 0 0 "[ . 1 . 2]" 2
375 1 47 ILE MD 1 71 TRP H . . 5.020 4.737 4.453 4.975 . 0 0 "[ . 1 . 2]" 2
376 1 72 GLU H 1 72 GLU HG3 . . 3.890 3.223 2.917 3.562 . 0 0 "[ . 1 . 2]" 2
377 1 72 GLU H 1 72 GLU HG2 . . 4.510 4.345 4.191 4.429 . 0 0 "[ . 1 . 2]" 2
378 1 71 TRP HB3 1 72 GLU H . . 4.350 4.122 3.992 4.201 . 0 0 "[ . 1 . 2]" 2
379 1 71 TRP H 1 72 GLU H . . 4.820 4.458 4.431 4.478 . 0 0 "[ . 1 . 2]" 2
380 1 49 CYS HA 1 73 CYS H . . 4.370 3.801 3.261 4.042 . 0 0 "[ . 1 . 2]" 2
381 1 72 GLU H 1 73 CYS H . . 4.600 4.477 4.400 4.518 . 0 0 "[ . 1 . 2]" 2
382 1 73 CYS H 1 74 ASN H . . 4.660 4.587 4.534 4.625 . 0 0 "[ . 1 . 2]" 2
383 1 73 CYS H 1 76 CYS HB3 . . 4.460 4.333 4.008 4.462 0.002 2 0 "[ . 1 . 2]" 2
384 1 72 GLU HG3 1 73 CYS H . . 4.720 4.558 4.259 4.741 0.021 2 0 "[ . 1 . 2]" 2
385 1 71 TRP HH2 1 74 ASN H . . 5.500 5.218 4.466 5.507 0.007 18 0 "[ . 1 . 2]" 2
386 1 74 ASN H 1 76 CYS H . . 5.490 4.188 3.874 4.301 . 0 0 "[ . 1 . 2]" 2
387 1 74 ASN HB2 1 75 GLU H . . 4.920 3.687 3.376 3.950 . 0 0 "[ . 1 . 2]" 2
388 1 74 ASN HB3 1 75 GLU H . . 4.920 2.309 2.066 2.590 . 0 0 "[ . 1 . 2]" 2
389 1 73 CYS HB2 1 75 GLU H . . 4.820 3.516 3.290 3.711 . 0 0 "[ . 1 . 2]" 2
390 1 76 CYS H 1 77 LEU HB2 . . 4.810 4.502 4.360 4.659 . 0 0 "[ . 1 . 2]" 2
391 1 76 CYS H 1 77 LEU HG . . 4.890 4.576 4.384 4.719 . 0 0 "[ . 1 . 2]" 2
392 1 74 ASN HA 1 76 CYS H . . 4.260 4.180 3.913 4.262 0.002 15 0 "[ . 1 . 2]" 2
393 1 75 GLU H 1 77 LEU H . . 4.690 4.546 4.323 4.692 0.002 13 0 "[ . 1 . 2]" 2
394 1 77 LEU H 1 78 PRO HD3 . . 5.050 4.979 4.923 5.042 . 0 0 "[ . 1 . 2]" 2
395 1 30 LEU HG 1 31 TYR H . . 5.020 4.167 3.902 4.293 . 0 0 "[ . 1 . 2]" 2
396 1 78 PRO QG 1 79 ALA H . . 5.370 4.144 3.344 4.752 . 0 0 "[ . 1 . 2]" 2
397 1 79 ALA MB 1 80 SER H . . 4.620 2.901 2.340 3.651 . 0 0 "[ . 1 . 2]" 2
398 1 57 THR MG 1 71 TRP HE1 . . 4.410 3.882 3.444 4.241 . 0 0 "[ . 1 . 2]" 2
399 1 64 LEU MD1 1 71 TRP HE1 . . 4.930 4.606 4.126 4.928 . 0 0 "[ . 1 . 2]" 2
400 1 71 TRP HE1 1 72 GLU H . . 4.330 4.061 3.753 4.281 . 0 0 "[ . 1 . 2]" 2
401 1 43 ARG QB 1 44 TRP HE1 . . 5.310 5.037 3.841 5.341 0.031 12 0 "[ . 1 . 2]" 2
402 1 23 HIS H 1 46 LEU MD2 . . 5.310 4.738 4.096 5.302 . 0 0 "[ . 1 . 2]" 2
403 1 44 TRP HB2 1 44 TRP HE1 . . 4.970 4.751 4.750 4.753 . 0 0 "[ . 1 . 2]" 2
404 1 32 GLU H 1 33 GLN H . . 4.610 3.041 2.862 3.266 . 0 0 "[ . 1 . 2]" 2
405 1 31 TYR QE 1 32 GLU H . . 5.050 4.909 4.434 5.057 0.007 20 0 "[ . 1 . 2]" 2
406 1 32 GLU QB 1 33 GLN H . . 5.040 2.446 2.029 3.496 . 0 0 "[ . 1 . 2]" 2
407 1 45 ARG HB2 1 45 ARG HD2 . . 3.810 2.849 2.383 3.518 . 0 0 "[ . 1 . 2]" 2
408 1 45 ARG HB3 1 45 ARG HD2 . . 3.710 2.654 2.236 3.718 0.008 6 0 "[ . 1 . 2]" 2
409 1 45 ARG HB2 1 45 ARG HD3 . . 3.810 3.466 2.343 3.827 0.017 3 0 "[ . 1 . 2]" 2
410 1 45 ARG HB3 1 45 ARG HD3 . . 3.710 3.319 2.607 3.671 . 0 0 "[ . 1 . 2]" 2
411 1 38 PHE HB3 1 46 LEU H . . 4.770 2.239 1.899 2.554 . 0 0 "[ . 1 . 2]" 2
412 1 22 ARG HB2 1 22 ARG QD . . 3.600 2.507 2.078 3.489 . 0 0 "[ . 1 . 2]" 2
413 1 22 ARG HB3 1 22 ARG QD . . 3.600 2.610 2.127 3.420 . 0 0 "[ . 1 . 2]" 2
414 1 43 ARG QB 1 43 ARG HD2 . . 3.650 3.058 2.379 3.294 . 0 0 "[ . 1 . 2]" 2
415 1 43 ARG QB 1 43 ARG HD3 . . 3.650 2.434 2.063 3.294 . 0 0 "[ . 1 . 2]" 2
416 1 20 ARG HB2 1 20 ARG QD . . 3.820 2.533 2.069 3.262 . 0 0 "[ . 1 . 2]" 2
417 1 20 ARG HB3 1 20 ARG QD . . 3.820 2.890 2.051 3.510 . 0 0 "[ . 1 . 2]" 2
418 1 65 ARG HA 1 65 ARG QD . . 4.140 3.165 1.934 4.100 . 0 0 "[ . 1 . 2]" 2
419 1 65 ARG QD 1 66 PRO HD2 . . 3.870 3.636 1.785 3.900 0.030 5 0 "[ . 1 . 2]" 2
420 1 65 ARG HB3 1 65 ARG QD . . 3.900 2.871 2.349 3.438 . 0 0 "[ . 1 . 2]" 2
421 1 77 LEU H 1 77 LEU HB3 . . 3.640 3.587 3.561 3.619 . 0 0 "[ . 1 . 2]" 2
422 1 70 LYS QE 1 70 LYS QG . . 3.470 2.284 2.062 2.555 . 0 0 "[ . 1 . 2]" 2
423 1 28 ILE HB 1 28 ILE MD . . 3.270 3.222 3.215 3.231 . 0 0 "[ . 1 . 2]" 2
424 1 21 TYR QB 1 48 LEU MD2 . . 3.780 3.053 2.519 3.542 . 0 0 "[ . 1 . 2]" 2
425 1 70 LYS HB2 1 70 LYS QD . . 2.650 2.409 2.174 2.658 0.008 13 0 "[ . 1 . 2]" 2
426 1 19 GLN HA 1 19 GLN QG . . 3.900 2.514 2.124 3.338 . 0 0 "[ . 1 . 2]" 2
427 1 33 GLN HA 1 33 GLN HG3 . . 3.900 2.552 2.160 2.989 . 0 0 "[ . 1 . 2]" 2
428 1 72 GLU HB2 1 77 LEU MD2 . . 4.130 2.251 1.982 2.551 . 0 0 "[ . 1 . 2]" 2
429 1 10 GLU H 1 10 GLU HB2 . . 3.770 2.534 2.230 3.729 . 0 0 "[ . 1 . 2]" 2
430 1 70 LYS HB3 1 70 LYS QD . . 2.650 2.469 2.297 2.675 0.025 16 0 "[ . 1 . 2]" 2
431 1 33 GLN H 1 33 GLN HB2 . . 3.980 2.176 2.147 2.266 . 0 0 "[ . 1 . 2]" 2
432 1 65 ARG HA 1 65 ARG HG2 . . 4.080 3.014 2.287 3.633 . 0 0 "[ . 1 . 2]" 2
433 1 28 ILE HA 1 28 ILE HG12 . . 3.500 3.028 2.967 3.123 . 0 0 "[ . 1 . 2]" 2
434 1 28 ILE HB 1 28 ILE HG12 . . 2.790 2.484 2.420 2.523 . 0 0 "[ . 1 . 2]" 2
435 1 47 ILE HA 1 47 ILE QG . . 3.740 2.357 2.328 2.407 . 0 0 "[ . 1 . 2]" 2
436 1 28 ILE HG13 1 28 ILE MG . . 3.000 2.388 2.299 2.492 . 0 0 "[ . 1 . 2]" 2
437 1 65 ARG HA 1 65 ARG HG3 . . 4.080 2.666 2.403 3.636 . 0 0 "[ . 1 . 2]" 2
438 1 20 ARG HA 1 20 ARG QG . . 3.860 2.387 2.155 3.421 . 0 0 "[ . 1 . 2]" 2
439 1 30 LEU HA 1 30 LEU HG . . 3.900 2.988 2.911 3.123 . 0 0 "[ . 1 . 2]" 2
440 1 30 LEU MD1 1 61 CYS HA . . 3.490 3.376 2.943 3.506 0.016 3 0 "[ . 1 . 2]" 2
441 1 30 LEU HB2 1 30 LEU MD1 . . 3.380 2.081 1.970 2.198 . 0 0 "[ . 1 . 2]" 2
442 1 30 LEU HB3 1 30 LEU MD1 . . 3.140 2.633 2.595 2.691 . 0 0 "[ . 1 . 2]" 2
443 1 59 ARG HA 1 64 LEU MD1 . . 3.770 2.312 1.990 2.633 . 0 0 "[ . 1 . 2]" 2
444 1 62 SER HB3 1 64 LEU MD1 . . 4.270 2.606 1.982 3.794 . 0 0 "[ . 1 . 2]" 2
445 1 64 LEU HB2 1 64 LEU MD1 . . 3.180 2.186 2.098 2.296 . 0 0 "[ . 1 . 2]" 2
446 1 64 LEU HB3 1 64 LEU MD1 . . 3.410 2.481 2.369 2.553 . 0 0 "[ . 1 . 2]" 2
447 1 47 ILE QG 1 64 LEU MD1 . . 4.120 4.024 3.856 4.129 0.009 11 0 "[ . 1 . 2]" 2
448 1 47 ILE MG 1 64 LEU MD1 . . 3.160 3.058 2.723 3.169 0.009 17 0 "[ . 1 . 2]" 2
449 1 57 THR MG 1 64 LEU MD1 . . 3.900 3.677 3.511 3.919 0.019 15 0 "[ . 1 . 2]" 2
450 1 48 LEU HB2 1 48 LEU MD1 . . 3.510 2.246 2.067 2.458 . 0 0 "[ . 1 . 2]" 2
451 1 48 LEU HB3 1 48 LEU MD1 . . 3.660 2.420 2.222 2.587 . 0 0 "[ . 1 . 2]" 2
452 1 70 LYS HA 1 70 LYS QG . . 3.830 3.217 2.150 3.343 . 0 0 "[ . 1 . 2]" 2
453 1 77 LEU HB2 1 77 LEU MD1 . . 3.430 2.227 2.030 2.341 . 0 0 "[ . 1 . 2]" 2
454 1 77 LEU HA 1 77 LEU MD2 . . 3.200 2.141 1.969 2.402 . 0 0 "[ . 1 . 2]" 2
455 1 72 GLU HB3 1 77 LEU MD2 . . 3.530 3.225 2.896 3.534 0.004 20 0 "[ . 1 . 2]" 2
456 1 48 LEU HA 1 48 LEU MD2 . . 3.650 2.188 1.962 2.385 . 0 0 "[ . 1 . 2]" 2
457 1 46 LEU MD2 1 48 LEU MD2 . . 3.960 2.671 1.920 3.617 . 0 0 "[ . 1 . 2]" 2
458 1 46 LEU MD1 1 48 LEU MD2 . . 3.960 3.423 2.767 3.947 . 0 0 "[ . 1 . 2]" 2
459 1 9 LEU HA 1 9 LEU MD2 . . 4.310 3.452 2.044 4.102 . 0 0 "[ . 1 . 2]" 2
460 1 51 THR MG 1 76 CYS HB3 . . 3.730 3.002 2.428 3.307 . 0 0 "[ . 1 . 2]" 2
461 1 64 LEU HA 1 64 LEU MD2 . . 3.230 2.152 1.955 2.416 . 0 0 "[ . 1 . 2]" 2
462 1 64 LEU MD2 1 68 SER HB2 . . 5.030 3.841 3.445 4.465 . 0 0 "[ . 1 . 2]" 2
463 1 64 LEU MD2 1 68 SER HB3 . . 5.030 3.862 3.040 4.621 . 0 0 "[ . 1 . 2]" 2
464 1 62 SER HB3 1 64 LEU MD2 . . 4.410 3.454 2.361 4.419 0.009 19 0 "[ . 1 . 2]" 2
465 1 64 LEU HB2 1 64 LEU MD2 . . 3.240 3.174 3.155 3.186 . 0 0 "[ . 1 . 2]" 2
466 1 64 LEU HB3 1 64 LEU MD2 . . 3.340 2.263 2.159 2.375 . 0 0 "[ . 1 . 2]" 2
467 1 38 PHE QE 1 46 LEU MD2 . . 4.960 4.044 3.607 4.555 . 0 0 "[ . 1 . 2]" 2
468 1 46 LEU HA 1 46 LEU MD2 . . 4.130 3.439 2.776 4.001 . 0 0 "[ . 1 . 2]" 2
469 1 30 LEU HA 1 30 LEU MD2 . . 2.870 2.553 2.409 2.745 . 0 0 "[ . 1 . 2]" 2
470 1 50 ALA MB 1 51 THR HA . . 4.080 3.732 3.619 3.796 . 0 0 "[ . 1 . 2]" 2
471 1 49 CYS HA 1 50 ALA MB . . 4.310 3.905 3.835 3.975 . 0 0 "[ . 1 . 2]" 2
472 1 50 ALA MB 1 70 LYS QG . . 4.180 3.467 2.738 4.020 . 0 0 "[ . 1 . 2]" 2
473 1 50 ALA MB 1 70 LYS QE . . 4.100 2.657 1.720 3.469 . 0 0 "[ . 1 . 2]" 2
474 1 51 THR HA 1 51 THR MG . . 3.290 2.431 2.270 2.495 . 0 0 "[ . 1 . 2]" 2
475 1 33 GLN HB2 1 37 SER HB2 . . 4.980 4.516 3.724 4.987 0.007 13 0 "[ . 1 . 2]" 2
476 1 47 ILE MG 1 71 TRP HE3 . . 3.930 2.046 1.918 2.167 . 0 0 "[ . 1 . 2]" 2
477 1 47 ILE HA 1 47 ILE MG . . 3.460 2.414 2.315 2.465 . 0 0 "[ . 1 . 2]" 2
478 1 47 ILE MG 1 71 TRP HB2 . . 3.470 3.168 2.695 3.360 . 0 0 "[ . 1 . 2]" 2
479 1 47 ILE MG 1 71 TRP HB3 . . 3.470 1.964 1.914 2.069 . 0 0 "[ . 1 . 2]" 2
480 1 47 ILE QG 1 47 ILE MG . . 3.290 2.339 2.208 2.410 . 0 0 "[ . 1 . 2]" 2
481 1 47 ILE MG 1 57 THR MG . . 4.230 4.026 3.803 4.206 . 0 0 "[ . 1 . 2]" 2
482 1 57 THR MG 1 62 SER HG . . 4.890 3.111 1.976 4.137 . 0 0 "[ . 1 . 2]" 2
483 1 57 THR MG 1 58 HIS HA . . 4.650 4.085 3.914 4.264 . 0 0 "[ . 1 . 2]" 2
484 1 57 THR MG 1 58 HIS HB2 . . 4.980 4.133 3.891 4.722 . 0 0 "[ . 1 . 2]" 2
485 1 57 THR MG 1 62 SER HB3 . . 3.980 2.926 1.822 3.798 . 0 0 "[ . 1 . 2]" 2
486 1 47 ILE HB 1 57 THR MG . . 3.390 3.299 3.043 3.401 0.011 20 0 "[ . 1 . 2]" 2
487 1 28 ILE MG 1 30 LEU HA . . 4.390 4.184 4.020 4.313 . 0 0 "[ . 1 . 2]" 2
488 1 28 ILE HA 1 28 ILE MG . . 3.390 2.357 2.253 2.453 . 0 0 "[ . 1 . 2]" 2
489 1 28 ILE MG 1 30 LEU HG . . 4.120 3.303 3.039 3.539 . 0 0 "[ . 1 . 2]" 2
490 1 28 ILE HG12 1 28 ILE MG . . 3.640 3.194 3.184 3.202 . 0 0 "[ . 1 . 2]" 2
491 1 30 LEU HG 1 61 CYS HA . . 3.920 3.636 3.373 3.821 . 0 0 "[ . 1 . 2]" 2
492 1 59 ARG HA 1 59 ARG HG2 . . 3.730 2.261 2.179 2.537 . 0 0 "[ . 1 . 2]" 2
493 1 47 ILE QG 1 59 ARG HA . . 3.840 3.460 3.180 3.703 . 0 0 "[ . 1 . 2]" 2
494 1 47 ILE MD 1 59 ARG HA . . 3.490 2.095 1.953 2.340 . 0 0 "[ . 1 . 2]" 2
495 1 28 ILE HA 1 28 ILE HG13 . . 3.810 3.746 3.690 3.793 . 0 0 "[ . 1 . 2]" 2
496 1 28 ILE HA 1 28 ILE MD . . 3.460 2.041 1.965 2.198 . 0 0 "[ . 1 . 2]" 2
497 1 49 CYS HA 1 71 TRP HE3 . . 3.740 2.757 2.645 2.888 . 0 0 "[ . 1 . 2]" 2
498 1 24 CYS HA 1 25 ASP H . . 3.470 2.151 2.138 2.199 . 0 0 "[ . 1 . 2]" 2
499 1 32 GLU HA 1 32 GLU HG2 . . 3.860 3.244 2.267 3.850 . 0 0 "[ . 1 . 2]" 2
500 1 32 GLU HA 1 32 GLU HG3 . . 3.860 3.105 2.379 3.743 . 0 0 "[ . 1 . 2]" 2
501 1 25 ASP H 1 57 THR HA . . 4.000 3.427 3.070 3.724 . 0 0 "[ . 1 . 2]" 2
502 1 24 CYS HA 1 57 THR HA . . 3.610 2.284 2.024 2.580 . 0 0 "[ . 1 . 2]" 2
503 1 35 ARG HA 1 58 HIS HE1 . . 4.890 4.770 4.547 4.918 0.028 15 0 "[ . 1 . 2]" 2
504 1 75 GLU HA 1 75 GLU QG . . 3.280 2.686 2.282 3.338 0.058 20 0 "[ . 1 . 2]" 2
505 1 47 ILE HA 1 47 ILE MD . . 3.940 3.765 3.704 3.835 . 0 0 "[ . 1 . 2]" 2
506 1 47 ILE MD 1 59 ARG HG3 . . 3.410 2.451 1.932 2.711 . 0 0 "[ . 1 . 2]" 2
507 1 47 ILE HB 1 47 ILE MD . . 3.380 2.457 2.348 2.569 . 0 0 "[ . 1 . 2]" 2
508 1 47 ILE MD 1 59 ARG HG2 . . 3.370 2.103 1.805 2.957 . 0 0 "[ . 1 . 2]" 2
509 1 16 GLU HA 1 16 GLU QG . . 3.650 3.196 2.216 3.455 . 0 0 "[ . 1 . 2]" 2
510 1 17 LEU HA 1 17 LEU MD1 . . 4.590 3.898 3.626 3.987 . 0 0 "[ . 1 . 2]" 2
511 1 17 LEU HA 1 17 LEU MD2 . . 4.590 2.444 1.989 4.064 . 0 0 "[ . 1 . 2]" 2
512 1 74 ASN HA 1 77 LEU MD1 . . 3.900 2.472 2.040 3.067 . 0 0 "[ . 1 . 2]" 2
513 1 9 LEU HA 1 9 LEU HG . . 4.180 3.232 2.293 3.715 . 0 0 "[ . 1 . 2]" 2
514 1 9 LEU HA 1 9 LEU MD1 . . 4.310 3.650 2.974 4.083 . 0 0 "[ . 1 . 2]" 2
515 1 22 ARG HA 1 22 ARG HG2 . . 4.130 3.283 2.360 3.938 . 0 0 "[ . 1 . 2]" 2
516 1 22 ARG HA 1 46 LEU MD1 . . 4.050 2.674 2.098 3.827 . 0 0 "[ . 1 . 2]" 2
517 1 22 ARG HA 1 46 LEU MD2 . . 4.050 3.251 2.791 3.813 . 0 0 "[ . 1 . 2]" 2
518 1 33 GLN HA 1 33 GLN HG2 . . 3.900 3.483 2.786 3.656 . 0 0 "[ . 1 . 2]" 2
519 1 32 GLU QB 1 33 GLN HA . . 4.370 3.930 3.745 4.367 . 0 0 "[ . 1 . 2]" 2
520 1 23 HIS HA 1 36 ASP HA . . 4.170 3.896 3.639 4.144 . 0 0 "[ . 1 . 2]" 2
521 1 44 TRP HA 1 44 TRP HZ3 . . 4.560 4.494 4.297 4.601 0.041 13 0 "[ . 1 . 2]" 2
522 1 10 GLU HA 1 11 PRO HD2 . . 3.240 2.052 1.916 2.216 . 0 0 "[ . 1 . 2]" 2
523 1 65 ARG HA 1 66 PRO HD3 . . 3.330 2.351 2.320 2.379 . 0 0 "[ . 1 . 2]" 2
524 1 10 GLU QG 1 11 PRO HD2 . . 4.950 3.684 3.006 4.367 . 0 0 "[ . 1 . 2]" 2
525 1 10 GLU HA 1 11 PRO HD3 . . 3.240 2.318 2.251 2.554 . 0 0 "[ . 1 . 2]" 2
526 1 65 ARG HA 1 66 PRO HD2 . . 3.570 2.516 2.453 2.568 . 0 0 "[ . 1 . 2]" 2
527 1 65 ARG HB3 1 66 PRO HD2 . . 3.020 1.998 1.939 2.026 . 0 0 "[ . 1 . 2]" 2
528 1 77 LEU MD2 1 78 PRO HD3 . . 4.150 2.861 2.536 3.156 . 0 0 "[ . 1 . 2]" 2
529 1 65 ARG HB3 1 66 PRO HD3 . . 3.470 3.443 3.391 3.466 . 0 0 "[ . 1 . 2]" 2
530 1 77 LEU HA 1 78 PRO HD2 . . 3.250 2.392 2.331 2.457 . 0 0 "[ . 1 . 2]" 2
531 1 77 LEU HB3 1 78 PRO HD2 . . 4.020 2.081 1.998 2.211 . 0 0 "[ . 1 . 2]" 2
532 1 77 LEU HA 1 78 PRO HD3 . . 3.250 2.298 2.277 2.323 . 0 0 "[ . 1 . 2]" 2
533 1 77 LEU HB3 1 78 PRO HD3 . . 4.020 3.515 3.443 3.627 . 0 0 "[ . 1 . 2]" 2
534 1 8 GLU HA 1 9 LEU HG . . 5.500 4.211 3.259 5.317 . 0 0 "[ . 1 . 2]" 2
535 1 8 GLU H 1 8 GLU QG . . 4.480 3.320 2.003 4.461 . 0 0 "[ . 1 . 2]" 2
536 1 8 GLU QG 1 9 LEU H . . 4.860 3.367 1.932 4.367 . 0 0 "[ . 1 . 2]" 2
537 1 8 GLU HA 1 8 GLU QG . . 3.700 2.801 2.238 3.502 . 0 0 "[ . 1 . 2]" 2
538 1 9 LEU HB2 1 10 GLU H . . 4.030 3.039 2.103 4.006 . 0 0 "[ . 1 . 2]" 2
539 1 48 LEU MD2 1 54 SER HA . . 4.830 4.278 3.845 4.629 . 0 0 "[ . 1 . 2]" 2
540 1 10 GLU QG 1 11 PRO HD3 . . 4.950 4.483 3.981 4.942 . 0 0 "[ . 1 . 2]" 2
541 1 11 PRO HB2 1 12 GLY QA . . 4.270 3.754 3.573 4.004 . 0 0 "[ . 1 . 2]" 2
542 1 12 GLY QA 1 13 ALA MB . . 4.270 4.096 3.857 4.186 . 0 0 "[ . 1 . 2]" 2
543 1 10 GLU H 1 13 ALA MB . . 4.770 4.275 3.683 4.724 . 0 0 "[ . 1 . 2]" 2
544 1 13 ALA MB 1 14 PHE QD . . 4.810 4.303 3.199 4.800 . 0 0 "[ . 1 . 2]" 2
545 1 10 GLU HA 1 13 ALA MB . . 5.500 4.878 4.196 5.358 . 0 0 "[ . 1 . 2]" 2
546 1 13 ALA MB 1 14 PHE HA . . 5.500 4.157 3.669 4.435 . 0 0 "[ . 1 . 2]" 2
547 1 11 PRO HA 1 13 ALA MB . . 4.340 4.223 3.940 4.334 . 0 0 "[ . 1 . 2]" 2
548 1 10 GLU QG 1 13 ALA MB . . 4.980 4.313 1.793 4.982 0.002 19 0 "[ . 1 . 2]" 2
549 1 10 GLU HB2 1 13 ALA MB . . 4.420 3.319 2.544 4.078 . 0 0 "[ . 1 . 2]" 2
550 1 10 GLU HB3 1 13 ALA MB . . 4.420 3.555 2.351 4.421 0.001 20 0 "[ . 1 . 2]" 2
551 1 14 PHE HA 1 14 PHE QD . . 4.180 2.899 2.466 3.105 . 0 0 "[ . 1 . 2]" 2
552 1 14 PHE HA 1 14 PHE QE . . 4.740 4.518 4.317 4.656 . 0 0 "[ . 1 . 2]" 2
553 1 14 PHE HA 1 15 SER HA . . 5.500 4.405 4.294 4.538 . 0 0 "[ . 1 . 2]" 2
554 1 16 GLU HA 1 17 LEU HG . . 4.480 3.643 3.200 4.344 . 0 0 "[ . 1 . 2]" 2
555 1 16 GLU H 1 16 GLU HB3 . . 4.020 2.926 2.376 3.428 . 0 0 "[ . 1 . 2]" 2
556 1 16 GLU QG 1 17 LEU HA . . 4.690 4.078 3.426 4.692 0.002 15 0 "[ . 1 . 2]" 2
557 1 77 LEU MD2 1 78 PRO QG . . 4.030 3.607 3.411 3.840 . 0 0 "[ . 1 . 2]" 2
558 1 72 GLU HG2 1 77 LEU MD2 . . 4.950 4.431 3.454 4.883 . 0 0 "[ . 1 . 2]" 2
559 1 72 GLU H 1 77 LEU MD1 . . 4.960 4.061 3.190 4.671 . 0 0 "[ . 1 . 2]" 2
560 1 72 GLU H 1 77 LEU MD2 . . 5.350 3.666 3.217 3.984 . 0 0 "[ . 1 . 2]" 2
561 1 18 TYR HA 1 18 TYR QD . . 3.650 2.880 2.135 3.687 0.037 5 0 "[ . 1 . 2]" 2
562 1 20 ARG HA 1 21 TYR QB . . 5.500 4.069 3.982 4.159 . 0 0 "[ . 1 . 2]" 2
563 1 20 ARG H 1 20 ARG HB2 . . 4.160 2.402 2.166 3.739 . 0 0 "[ . 1 . 2]" 2
564 1 20 ARG H 1 20 ARG QD . . 5.240 3.488 1.908 4.748 . 0 0 "[ . 1 . 2]" 2
565 1 20 ARG QD 1 21 TYR H . . 5.500 4.331 2.020 5.185 . 0 0 "[ . 1 . 2]" 2
566 1 20 ARG HA 1 20 ARG QD . . 3.870 3.155 2.134 3.919 0.049 7 0 "[ . 1 . 2]" 2
567 1 21 TYR QD 1 48 LEU MD2 . . 3.670 3.091 2.894 3.244 . 0 0 "[ . 1 . 2]" 2
568 1 21 TYR QD 1 22 ARG HA . . 4.540 3.320 2.640 4.085 . 0 0 "[ . 1 . 2]" 2
569 1 21 TYR HA 1 21 TYR QD . . 3.570 3.098 2.790 3.217 . 0 0 "[ . 1 . 2]" 2
570 1 21 TYR QD 1 55 HIS HA . . 4.060 3.024 2.306 3.562 . 0 0 "[ . 1 . 2]" 2
571 1 21 TYR QD 1 22 ARG H . . 4.190 3.683 3.115 4.094 . 0 0 "[ . 1 . 2]" 2
572 1 21 TYR H 1 21 TYR QD . . 4.220 4.205 4.128 4.255 0.035 12 0 "[ . 1 . 2]" 2
573 1 21 TYR QD 1 56 GLY H . . 5.020 3.011 2.196 4.019 . 0 0 "[ . 1 . 2]" 2
574 1 22 ARG HA 1 22 ARG QD . . 4.650 4.093 2.518 4.481 . 0 0 "[ . 1 . 2]" 2
575 1 21 TYR QB 1 22 ARG HA . . 5.370 4.563 4.478 4.701 . 0 0 "[ . 1 . 2]" 2
576 1 22 ARG HA 1 22 ARG HG3 . . 4.130 3.504 2.491 3.910 . 0 0 "[ . 1 . 2]" 2
577 1 22 ARG HA 1 48 LEU MD2 . . 4.750 3.550 2.713 4.199 . 0 0 "[ . 1 . 2]" 2
578 1 27 PRO HB2 1 28 ILE HG12 . . 4.010 2.407 2.316 2.513 . 0 0 "[ . 1 . 2]" 2
579 1 47 ILE QG 1 57 THR MG . . 4.710 4.628 4.413 4.723 0.013 20 0 "[ . 1 . 2]" 2
580 1 23 HIS HB2 1 24 CYS H . . 5.500 4.411 4.112 4.553 . 0 0 "[ . 1 . 2]" 2
581 1 23 HIS HB3 1 24 CYS H . . 5.500 3.993 3.421 4.470 . 0 0 "[ . 1 . 2]" 2
582 1 21 TYR QE 1 23 HIS HB3 . . 4.760 3.410 2.593 4.328 . 0 0 "[ . 1 . 2]" 2
583 1 24 CYS HA 1 57 THR HB . . 4.340 2.981 2.610 3.375 . 0 0 "[ . 1 . 2]" 2
584 1 24 CYS H 1 24 CYS HB3 . . 4.040 2.390 2.239 2.467 . 0 0 "[ . 1 . 2]" 2
585 1 24 CYS HB3 1 38 PHE HZ . . 4.440 4.434 4.319 4.462 0.022 18 0 "[ . 1 . 2]" 2
586 1 24 CYS HB3 1 38 PHE QE . . 5.380 5.196 5.059 5.294 . 0 0 "[ . 1 . 2]" 2
587 1 25 ASP H 1 25 ASP HB2 . . 4.090 2.906 2.399 3.796 . 0 0 "[ . 1 . 2]" 2
588 1 25 ASP HB2 1 56 GLY H . . 5.130 4.108 3.454 5.143 0.013 18 0 "[ . 1 . 2]" 2
589 1 25 ASP H 1 25 ASP HB3 . . 4.090 3.055 2.588 3.785 . 0 0 "[ . 1 . 2]" 2
590 1 25 ASP HB3 1 56 GLY H . . 5.130 4.426 3.441 5.153 0.023 15 0 "[ . 1 . 2]" 2
591 1 26 ALA MB 1 28 ILE HB . . 5.100 4.882 4.780 4.978 . 0 0 "[ . 1 . 2]" 2
592 1 26 ALA MB 1 27 PRO HG3 . . 4.940 4.164 4.140 4.187 . 0 0 "[ . 1 . 2]" 2
593 1 26 ALA MB 1 27 PRO HB2 . . 4.830 4.836 4.815 4.862 0.032 12 0 "[ . 1 . 2]" 2
594 1 26 ALA MB 1 57 THR HB . . 3.670 3.397 3.259 3.648 . 0 0 "[ . 1 . 2]" 2
595 1 26 ALA MB 1 58 HIS HB2 . . 4.720 4.451 4.192 4.627 . 0 0 "[ . 1 . 2]" 2
596 1 26 ALA MB 1 29 CYS HA . . 4.180 4.168 4.119 4.203 0.023 20 0 "[ . 1 . 2]" 2
597 1 26 ALA MB 1 57 THR HG1 . . 4.360 2.345 1.853 2.860 . 0 0 "[ . 1 . 2]" 2
598 1 26 ALA HA 1 27 PRO HA . . 4.540 4.388 4.387 4.389 . 0 0 "[ . 1 . 2]" 2
599 1 27 PRO HB3 1 28 ILE HG12 . . 5.500 4.148 4.049 4.261 . 0 0 "[ . 1 . 2]" 2
600 1 26 ALA MB 1 27 PRO HG2 . . 4.940 3.485 3.451 3.528 . 0 0 "[ . 1 . 2]" 2
601 1 26 ALA HA 1 27 PRO HG2 . . 4.940 4.707 4.694 4.720 . 0 0 "[ . 1 . 2]" 2
602 1 26 ALA HA 1 27 PRO HG3 . . 4.940 4.630 4.618 4.642 . 0 0 "[ . 1 . 2]" 2
603 1 27 PRO HB2 1 28 ILE HB . . 4.700 4.187 4.074 4.252 . 0 0 "[ . 1 . 2]" 2
604 1 62 SER HB3 1 64 LEU HG . . 4.020 2.480 1.950 3.780 . 0 0 "[ . 1 . 2]" 2
605 1 64 LEU HA 1 64 LEU HG . . 3.910 2.988 2.899 3.135 . 0 0 "[ . 1 . 2]" 2
606 1 28 ILE MG 1 30 LEU H . . 4.820 4.357 3.956 4.613 . 0 0 "[ . 1 . 2]" 2
607 1 27 PRO HB3 1 28 ILE MD . . 5.000 4.835 4.607 4.988 . 0 0 "[ . 1 . 2]" 2
608 1 27 PRO HB2 1 28 ILE MD . . 4.560 3.571 3.306 3.717 . 0 0 "[ . 1 . 2]" 2
609 1 28 ILE MD 1 28 ILE MG . . 2.400 1.974 1.909 2.069 . 0 0 "[ . 1 . 2]" 2
610 1 29 CYS HA 1 61 CYS HA . . 4.400 2.899 2.691 3.140 . 0 0 "[ . 1 . 2]" 2
611 1 29 CYS HA 1 61 CYS HB2 . . 4.120 3.236 3.101 3.426 . 0 0 "[ . 1 . 2]" 2
612 1 29 CYS HA 1 30 LEU HB2 . . 4.960 4.733 4.633 4.907 . 0 0 "[ . 1 . 2]" 2
613 1 29 CYS HA 1 30 LEU HG . . 3.940 3.482 3.352 3.632 . 0 0 "[ . 1 . 2]" 2
614 1 28 ILE MG 1 29 CYS HA . . 4.660 3.668 3.525 3.788 . 0 0 "[ . 1 . 2]" 2
615 1 30 LEU HA 1 30 LEU MD1 . . 4.200 3.980 3.953 4.024 . 0 0 "[ . 1 . 2]" 2
616 1 29 CYS HA 1 30 LEU HA . . 4.650 4.391 4.377 4.409 . 0 0 "[ . 1 . 2]" 2
617 1 30 LEU MD1 1 61 CYS H . . 4.610 4.119 3.462 4.610 . 0 0 "[ . 1 . 2]" 2
618 1 30 LEU H 1 30 LEU MD1 . . 4.350 3.398 3.195 3.591 . 0 0 "[ . 1 . 2]" 2
619 1 28 ILE HB 1 30 LEU MD2 . . 4.570 4.479 4.181 4.579 0.009 18 0 "[ . 1 . 2]" 2
620 1 29 CYS HA 1 30 LEU MD2 . . 4.930 4.702 4.468 4.844 . 0 0 "[ . 1 . 2]" 2
621 1 31 TYR HA 1 31 TYR QE . . 4.440 4.280 4.173 4.441 0.001 19 0 "[ . 1 . 2]" 2
622 1 75 GLU QG 1 76 CYS H . . 4.300 3.747 2.060 4.307 0.007 2 0 "[ . 1 . 2]" 2
623 1 31 TYR HB3 1 34 GLY H . . 4.430 2.491 2.091 2.658 . 0 0 "[ . 1 . 2]" 2
624 1 33 GLN H 1 33 GLN HB3 . . 3.980 3.146 2.928 3.542 . 0 0 "[ . 1 . 2]" 2
625 1 24 CYS HB2 1 35 ARG HA . . 4.870 4.874 4.820 4.895 0.025 18 0 "[ . 1 . 2]" 2
626 1 24 CYS HB3 1 35 ARG HA . . 4.260 4.107 3.834 4.260 0.000 12 0 "[ . 1 . 2]" 2
627 1 35 ARG HG3 1 37 SER HA . . 4.260 3.832 3.514 4.050 . 0 0 "[ . 1 . 2]" 2
628 1 35 ARG HG2 1 37 SER HA . . 4.710 4.425 4.078 4.689 . 0 0 "[ . 1 . 2]" 2
629 1 65 ARG HG3 1 66 PRO HD3 . . 5.240 3.997 3.127 4.922 . 0 0 "[ . 1 . 2]" 2
630 1 65 ARG HG2 1 66 PRO HD3 . . 5.240 4.108 3.206 4.857 . 0 0 "[ . 1 . 2]" 2
631 1 65 ARG H 1 65 ARG QD . . 4.420 3.530 2.317 4.448 0.028 12 0 "[ . 1 . 2]" 2
632 1 36 ASP HA 1 38 PHE QE . . 4.110 2.360 2.014 2.700 . 0 0 "[ . 1 . 2]" 2
633 1 36 ASP H 1 36 ASP HB2 . . 4.070 3.417 2.637 3.616 . 0 0 "[ . 1 . 2]" 2
634 1 33 GLN HB3 1 37 SER HB2 . . 4.980 3.812 2.759 4.964 . 0 0 "[ . 1 . 2]" 2
635 1 33 GLN HB2 1 37 SER HB3 . . 4.980 4.437 3.734 4.989 0.009 7 0 "[ . 1 . 2]" 2
636 1 33 GLN HB3 1 37 SER HB3 . . 4.980 4.047 3.158 4.849 . 0 0 "[ . 1 . 2]" 2
637 1 38 PHE QD 1 46 LEU HB3 . . 4.490 4.111 3.866 4.372 . 0 0 "[ . 1 . 2]" 2
638 1 38 PHE QD 1 46 LEU MD1 . . 4.710 2.733 1.971 3.373 . 0 0 "[ . 1 . 2]" 2
639 1 38 PHE QD 1 46 LEU HB2 . . 4.490 2.778 2.492 2.976 . 0 0 "[ . 1 . 2]" 2
640 1 38 PHE QD 1 46 LEU HA . . 3.930 2.812 2.407 3.137 . 0 0 "[ . 1 . 2]" 2
641 1 38 PHE QD 1 58 HIS HA . . 4.380 2.576 2.380 2.758 . 0 0 "[ . 1 . 2]" 2
642 1 38 PHE QD 1 58 HIS HD2 . . 3.410 2.549 2.209 3.198 . 0 0 "[ . 1 . 2]" 2
643 1 24 CYS HA 1 38 PHE QE . . 5.490 4.241 3.931 4.472 . 0 0 "[ . 1 . 2]" 2
644 1 38 PHE QE 1 58 HIS HD2 . . 5.100 3.308 2.985 3.537 . 0 0 "[ . 1 . 2]" 2
645 1 39 GLU HB2 1 40 ASP H . . 4.460 3.751 2.301 4.464 0.004 11 0 "[ . 1 . 2]" 2
646 1 39 GLU HG2 1 40 ASP H . . 5.300 3.280 1.898 5.296 . 0 0 "[ . 1 . 2]" 2
647 1 39 GLU H 1 39 GLU HG2 . . 4.980 4.271 2.066 4.858 . 0 0 "[ . 1 . 2]" 2
648 1 39 GLU H 1 39 GLU HG3 . . 4.980 4.291 3.100 4.653 . 0 0 "[ . 1 . 2]" 2
649 1 40 ASP HB3 1 41 GLU QG . . 4.890 3.121 2.407 3.980 . 0 0 "[ . 1 . 2]" 2
650 1 40 ASP HB2 1 41 GLU QG . . 5.000 4.529 3.666 4.999 . 0 0 "[ . 1 . 2]" 2
651 1 39 GLU HA 1 40 ASP HB3 . . 5.430 5.322 5.217 5.590 0.160 11 0 "[ . 1 . 2]" 2
652 1 39 GLU HA 1 40 ASP HB2 . . 4.620 4.504 4.270 4.597 . 0 0 "[ . 1 . 2]" 2
653 1 41 GLU HB2 1 42 GLY H . . 4.860 3.223 2.280 4.396 . 0 0 "[ . 1 . 2]" 2
654 1 41 GLU HB3 1 42 GLY H . . 4.860 3.237 1.953 4.388 . 0 0 "[ . 1 . 2]" 2
655 1 43 ARG HA 1 60 ASP H . . 4.050 3.822 3.477 4.061 0.011 10 0 "[ . 1 . 2]" 2
656 1 43 ARG HA 1 59 ARG HB2 . . 4.150 3.351 2.936 3.656 . 0 0 "[ . 1 . 2]" 2
657 1 43 ARG HA 1 59 ARG HB3 . . 4.150 2.667 2.548 2.869 . 0 0 "[ . 1 . 2]" 2
658 1 43 ARG HA 1 45 ARG HB3 . . 5.500 5.058 4.899 5.179 . 0 0 "[ . 1 . 2]" 2
659 1 43 ARG HA 1 59 ARG HG2 . . 5.500 4.975 4.588 5.224 . 0 0 "[ . 1 . 2]" 2
660 1 43 ARG HA 1 43 ARG HG3 . . 4.160 3.770 3.269 3.947 . 0 0 "[ . 1 . 2]" 2
661 1 43 ARG HA 1 43 ARG HG2 . . 4.160 3.684 2.800 4.172 0.012 12 0 "[ . 1 . 2]" 2
662 1 43 ARG HD2 1 44 TRP HE1 . . 4.740 3.034 2.318 4.392 . 0 0 "[ . 1 . 2]" 2
663 1 44 TRP HA 1 58 HIS HB3 . . 3.920 2.509 2.235 2.688 . 0 0 "[ . 1 . 2]" 2
664 1 44 TRP HA 1 59 ARG H . . 4.750 3.232 2.882 3.422 . 0 0 "[ . 1 . 2]" 2
665 1 44 TRP HB3 1 44 TRP HZ3 . . 5.430 5.328 5.274 5.397 . 0 0 "[ . 1 . 2]" 2
666 1 41 GLU HA 1 45 ARG HB2 . . 4.680 3.106 2.137 4.465 . 0 0 "[ . 1 . 2]" 2
667 1 41 GLU HA 1 45 ARG HB3 . . 4.510 2.700 2.217 3.763 . 0 0 "[ . 1 . 2]" 2
668 1 44 TRP H 1 45 ARG HB3 . . 4.860 4.449 3.897 4.618 . 0 0 "[ . 1 . 2]" 2
669 1 45 ARG HB3 1 46 LEU H . . 5.170 4.152 3.954 4.313 . 0 0 "[ . 1 . 2]" 2
670 1 45 ARG HG3 1 47 ILE MD . . 4.430 3.002 2.780 3.204 . 0 0 "[ . 1 . 2]" 2
671 1 45 ARG HG3 1 46 LEU H . . 5.140 4.039 3.638 4.477 . 0 0 "[ . 1 . 2]" 2
672 1 45 ARG HD3 1 47 ILE MD . . 4.630 3.460 2.744 4.632 0.002 10 0 "[ . 1 . 2]" 2
673 1 45 ARG HD2 1 47 ILE MD . . 4.630 4.288 3.164 4.649 0.019 20 0 "[ . 1 . 2]" 2
674 1 46 LEU HA 1 47 ILE QG . . 3.980 3.907 3.773 3.994 0.014 10 0 "[ . 1 . 2]" 2
675 1 46 LEU HA 1 58 HIS HA . . 4.070 3.183 2.800 3.520 . 0 0 "[ . 1 . 2]" 2
676 1 38 PHE QE 1 46 LEU HA . . 4.520 3.262 2.928 3.606 . 0 0 "[ . 1 . 2]" 2
677 1 46 LEU HB2 1 47 ILE H . . 4.940 4.425 4.156 4.604 . 0 0 "[ . 1 . 2]" 2
678 1 46 LEU HG 1 47 ILE H . . 4.810 3.595 3.264 4.093 . 0 0 "[ . 1 . 2]" 2
679 1 46 LEU HA 1 46 LEU MD1 . . 4.130 3.089 2.169 3.758 . 0 0 "[ . 1 . 2]" 2
680 1 46 LEU H 1 46 LEU MD1 . . 4.970 4.157 4.038 4.294 . 0 0 "[ . 1 . 2]" 2
681 1 38 PHE QD 1 46 LEU MD2 . . 4.710 4.052 3.353 4.677 . 0 0 "[ . 1 . 2]" 2
682 1 46 LEU MD2 1 48 LEU HG . . 4.880 2.626 1.910 3.492 . 0 0 "[ . 1 . 2]" 2
683 1 47 ILE HB 1 57 THR H . . 4.380 3.654 3.494 3.739 . 0 0 "[ . 1 . 2]" 2
684 1 47 ILE HB 1 48 LEU H . . 4.420 4.260 4.152 4.326 . 0 0 "[ . 1 . 2]" 2
685 1 46 LEU HA 1 47 ILE HB . . 4.850 4.640 4.575 4.706 . 0 0 "[ . 1 . 2]" 2
686 1 47 ILE MG 1 71 TRP H . . 4.150 3.167 2.907 3.458 . 0 0 "[ . 1 . 2]" 2
687 1 47 ILE MG 1 71 TRP HD1 . . 5.220 4.993 4.773 5.132 . 0 0 "[ . 1 . 2]" 2
688 1 47 ILE MG 1 48 LEU HA . . 5.270 3.796 3.679 3.948 . 0 0 "[ . 1 . 2]" 2
689 1 47 ILE MG 1 71 TRP HA . . 4.670 4.475 4.302 4.654 . 0 0 "[ . 1 . 2]" 2
690 1 47 ILE MG 1 49 CYS HA . . 4.500 4.088 3.906 4.231 . 0 0 "[ . 1 . 2]" 2
691 1 47 ILE MG 1 70 LYS HA . . 4.790 3.843 3.561 4.189 . 0 0 "[ . 1 . 2]" 2
692 1 47 ILE MG 1 48 LEU HB2 . . 4.550 4.396 4.245 4.539 . 0 0 "[ . 1 . 2]" 2
693 1 47 ILE MD 1 47 ILE MG . . 2.910 1.947 1.876 2.128 . 0 0 "[ . 1 . 2]" 2
694 1 47 ILE MD 1 57 THR MG . . 4.390 4.212 4.025 4.393 0.003 12 0 "[ . 1 . 2]" 2
695 1 47 ILE MD 1 64 LEU MD2 . . 4.590 4.225 3.973 4.454 . 0 0 "[ . 1 . 2]" 2
696 1 45 ARG HG2 1 47 ILE MD . . 4.430 3.292 2.890 3.591 . 0 0 "[ . 1 . 2]" 2
697 1 47 ILE MD 1 59 ARG HB2 . . 4.560 2.470 2.151 2.786 . 0 0 "[ . 1 . 2]" 2
698 1 47 ILE MD 1 59 ARG HD3 . . 4.900 3.911 3.542 4.215 . 0 0 "[ . 1 . 2]" 2
699 1 47 ILE MD 1 70 LYS HA . . 5.020 4.824 4.459 5.027 0.007 11 0 "[ . 1 . 2]" 2
700 1 47 ILE MD 1 48 LEU H . . 5.110 5.077 4.940 5.127 0.017 14 0 "[ . 1 . 2]" 2
701 1 47 ILE MD 1 59 ARG H . . 4.290 3.832 3.234 4.101 . 0 0 "[ . 1 . 2]" 2
702 1 48 LEU HA 1 56 GLY HA3 . . 5.200 3.735 3.529 3.986 . 0 0 "[ . 1 . 2]" 2
703 1 48 LEU HB2 1 49 CYS H . . 4.260 4.111 3.951 4.250 . 0 0 "[ . 1 . 2]" 2
704 1 48 LEU HB3 1 53 GLY QA . . 4.120 3.242 3.039 3.492 . 0 0 "[ . 1 . 2]" 2
705 1 46 LEU MD1 1 48 LEU HG . . 4.880 4.034 3.555 4.467 . 0 0 "[ . 1 . 2]" 2
706 1 48 LEU MD1 1 49 CYS H . . 5.140 4.858 4.428 5.095 . 0 0 "[ . 1 . 2]" 2
707 1 21 TYR QD 1 48 LEU MD1 . . 5.200 5.066 4.884 5.205 0.005 17 0 "[ . 1 . 2]" 2
708 1 48 LEU HA 1 48 LEU MD1 . . 4.770 3.866 3.785 3.919 . 0 0 "[ . 1 . 2]" 2
709 1 48 LEU MD1 1 53 GLY QA . . 4.480 4.379 4.024 4.513 0.033 17 0 "[ . 1 . 2]" 2
710 1 21 TYR QB 1 48 LEU MD1 . . 4.510 4.254 3.793 4.515 0.005 6 0 "[ . 1 . 2]" 2
711 1 49 CYS HA 1 72 GLU HA . . 4.250 3.038 2.388 3.297 . 0 0 "[ . 1 . 2]" 2
712 1 49 CYS HB3 1 73 CYS HB3 . . 4.190 3.629 3.311 3.863 . 0 0 "[ . 1 . 2]" 2
713 1 49 CYS HB3 1 55 HIS HB2 . . 4.120 3.713 3.278 4.119 . 0 0 "[ . 1 . 2]" 2
714 1 49 CYS HB3 1 53 GLY QA . . 4.590 2.131 1.989 2.364 . 0 0 "[ . 1 . 2]" 2
715 1 48 LEU HA 1 49 CYS HB3 . . 5.130 4.722 4.610 4.797 . 0 0 "[ . 1 . 2]" 2
716 1 49 CYS HB3 1 72 GLU HA . . 5.440 4.686 4.279 4.901 . 0 0 "[ . 1 . 2]" 2
717 1 49 CYS HB3 1 73 CYS H . . 4.250 4.105 3.694 4.267 0.017 18 0 "[ . 1 . 2]" 2
718 1 49 CYS HB3 1 51 THR H . . 4.910 4.749 4.455 4.916 0.006 16 0 "[ . 1 . 2]" 2
719 1 49 CYS HB2 1 71 TRP HE3 . . 4.640 4.325 4.110 4.595 . 0 0 "[ . 1 . 2]" 2
720 1 49 CYS HB2 1 71 TRP HZ3 . . 4.540 3.371 3.117 3.622 . 0 0 "[ . 1 . 2]" 2
721 1 49 CYS HB2 1 72 GLU HA . . 4.730 3.728 3.270 4.060 . 0 0 "[ . 1 . 2]" 2
722 1 49 CYS HB2 1 55 HIS HB2 . . 3.780 2.689 2.223 3.026 . 0 0 "[ . 1 . 2]" 2
723 1 49 CYS HB2 1 73 CYS HB3 . . 3.950 2.261 1.999 2.465 . 0 0 "[ . 1 . 2]" 2
724 1 50 ALA MB 1 72 GLU HA . . 4.610 4.080 3.652 4.327 . 0 0 "[ . 1 . 2]" 2
725 1 50 ALA MB 1 72 GLU HG2 . . 4.220 3.948 2.852 4.226 0.006 11 0 "[ . 1 . 2]" 2
726 1 50 ALA MB 1 72 GLU HG3 . . 3.640 3.354 2.020 3.645 0.005 10 0 "[ . 1 . 2]" 2
727 1 50 ALA MB 1 51 THR MG . . 5.430 4.953 4.779 5.018 . 0 0 "[ . 1 . 2]" 2
728 1 51 THR MG 1 72 GLU HG3 . . 5.500 5.339 5.101 5.508 0.008 18 0 "[ . 1 . 2]" 2
729 1 51 THR MG 1 72 GLU HG2 . . 4.850 4.120 3.830 4.680 . 0 0 "[ . 1 . 2]" 2
730 1 51 THR MG 1 76 CYS HB2 . . 4.290 4.133 3.709 4.309 0.019 6 0 "[ . 1 . 2]" 2
731 1 48 LEU MD2 1 53 GLY QA . . 4.950 4.071 3.772 4.320 . 0 0 "[ . 1 . 2]" 2
732 1 48 LEU HB2 1 53 GLY QA . . 4.960 4.468 4.139 4.867 . 0 0 "[ . 1 . 2]" 2
733 1 21 TYR QB 1 54 SER HA . . 4.290 3.536 2.926 4.286 . 0 0 "[ . 1 . 2]" 2
734 1 21 TYR QD 1 54 SER HA . . 4.600 4.484 4.172 4.613 0.013 5 0 "[ . 1 . 2]" 2
735 1 54 SER QB 1 55 HIS HD2 . . 5.490 3.126 2.018 5.488 . 0 0 "[ . 1 . 2]" 2
736 1 21 TYR QD 1 54 SER QB . . 5.210 4.730 4.230 5.214 0.004 15 0 "[ . 1 . 2]" 2
737 1 55 HIS HB2 1 73 CYS HA . . 4.080 3.814 3.320 4.083 0.003 17 0 "[ . 1 . 2]" 2
738 1 55 HIS HB2 1 73 CYS HB2 . . 3.920 2.781 2.184 3.217 . 0 0 "[ . 1 . 2]" 2
739 1 48 LEU MD2 1 56 GLY HA2 . . 4.080 2.383 1.970 2.933 . 0 0 "[ . 1 . 2]" 2
740 1 48 LEU HA 1 56 GLY HA2 . . 4.050 2.480 2.271 2.711 . 0 0 "[ . 1 . 2]" 2
741 1 56 GLY HA2 1 71 TRP HZ3 . . 4.260 2.813 2.534 3.064 . 0 0 "[ . 1 . 2]" 2
742 1 56 GLY HA2 1 71 TRP HH2 . . 4.410 3.554 3.219 4.028 . 0 0 "[ . 1 . 2]" 2
743 1 49 CYS H 1 56 GLY HA2 . . 3.930 3.812 3.670 3.896 . 0 0 "[ . 1 . 2]" 2
744 1 21 TYR QD 1 56 GLY HA3 . . 4.590 3.069 2.549 3.659 . 0 0 "[ . 1 . 2]" 2
745 1 21 TYR QE 1 56 GLY HA3 . . 5.180 3.857 3.226 4.366 . 0 0 "[ . 1 . 2]" 2
746 1 56 GLY HA3 1 71 TRP HZ3 . . 4.700 4.484 4.219 4.705 0.005 13 0 "[ . 1 . 2]" 2
747 1 48 LEU MD2 1 56 GLY HA3 . . 3.840 2.221 1.952 2.646 . 0 0 "[ . 1 . 2]" 2
748 1 26 ALA MB 1 57 THR HA . . 4.970 4.473 4.330 4.616 . 0 0 "[ . 1 . 2]" 2
749 1 24 CYS HB3 1 57 THR HA . . 5.010 4.892 4.709 5.020 0.010 1 0 "[ . 1 . 2]" 2
750 1 57 THR HA 1 58 HIS HA . . 4.390 4.304 4.299 4.317 . 0 0 "[ . 1 . 2]" 2
751 1 57 THR HB 1 71 TRP HZ2 . . 4.930 4.245 3.750 4.767 . 0 0 "[ . 1 . 2]" 2
752 1 57 THR HB 1 71 TRP HH2 . . 4.580 3.911 3.363 4.356 . 0 0 "[ . 1 . 2]" 2
753 1 26 ALA MB 1 57 THR MG . . 3.950 2.385 2.251 2.715 . 0 0 "[ . 1 . 2]" 2
754 1 24 CYS HB2 1 57 THR MG . . 5.500 5.400 5.262 5.513 0.013 6 0 "[ . 1 . 2]" 2
755 1 27 PRO QD 1 57 THR MG . . 5.460 4.022 3.895 4.290 . 0 0 "[ . 1 . 2]" 2
756 1 57 THR MG 1 62 SER HB2 . . 3.980 2.420 1.846 3.466 . 0 0 "[ . 1 . 2]" 2
757 1 47 ILE H 1 57 THR MG . . 4.770 3.926 3.805 4.033 . 0 0 "[ . 1 . 2]" 2
758 1 47 ILE H 1 58 HIS HA . . 4.550 3.383 3.149 3.624 . 0 0 "[ . 1 . 2]" 2
759 1 45 ARG H 1 58 HIS HA . . 5.380 4.113 3.795 4.422 . 0 0 "[ . 1 . 2]" 2
760 1 58 HIS HA 1 61 CYS H . . 5.500 4.841 4.608 4.979 . 0 0 "[ . 1 . 2]" 2
761 1 38 PHE HZ 1 58 HIS HA . . 5.500 4.905 4.603 5.261 . 0 0 "[ . 1 . 2]" 2
762 1 58 HIS HA 1 62 SER H . . 5.500 5.484 5.242 5.561 0.061 7 0 "[ . 1 . 2]" 2
763 1 38 PHE QE 1 58 HIS HA . . 4.660 2.545 2.158 2.880 . 0 0 "[ . 1 . 2]" 2
764 1 58 HIS HA 1 59 ARG HA . . 4.370 4.327 4.302 4.351 . 0 0 "[ . 1 . 2]" 2
765 1 58 HIS HA 1 61 CYS HB3 . . 5.130 4.385 4.209 4.508 . 0 0 "[ . 1 . 2]" 2
766 1 58 HIS HB2 1 59 ARG H . . 4.320 3.124 2.927 3.616 . 0 0 "[ . 1 . 2]" 2
767 1 44 TRP HZ3 1 58 HIS HB3 . . 4.310 4.017 3.563 4.241 . 0 0 "[ . 1 . 2]" 2
768 1 57 THR MG 1 59 ARG HA . . 4.590 4.213 4.121 4.335 . 0 0 "[ . 1 . 2]" 2
769 1 47 ILE MG 1 59 ARG HA . . 4.800 4.371 4.236 4.499 . 0 0 "[ . 1 . 2]" 2
770 1 59 ARG HA 1 64 LEU MD2 . . 5.500 4.973 4.567 5.352 . 0 0 "[ . 1 . 2]" 2
771 1 47 ILE HB 1 59 ARG HA . . 3.910 3.902 3.796 3.933 0.023 17 0 "[ . 1 . 2]" 2
772 1 47 ILE MD 1 59 ARG HB3 . . 4.560 3.667 3.485 3.885 . 0 0 "[ . 1 . 2]" 2
773 1 47 ILE MD 1 59 ARG HD2 . . 4.900 4.096 3.846 4.356 . 0 0 "[ . 1 . 2]" 2
774 1 59 ARG HD2 1 64 LEU MD1 . . 5.500 3.494 2.626 4.064 . 0 0 "[ . 1 . 2]" 2
775 1 59 ARG HD3 1 64 LEU MD1 . . 5.500 3.425 2.573 4.358 . 0 0 "[ . 1 . 2]" 2
776 1 60 ASP HA 1 63 SER HA . . 4.720 4.015 3.879 4.137 . 0 0 "[ . 1 . 2]" 2
777 1 60 ASP HB2 1 61 CYS H . . 4.280 3.500 2.878 4.080 . 0 0 "[ . 1 . 2]" 2
778 1 43 ARG QB 1 60 ASP HB2 . . 4.370 3.162 2.471 4.367 . 0 0 "[ . 1 . 2]" 2
779 1 43 ARG QB 1 60 ASP HB3 . . 4.370 3.884 2.546 4.363 . 0 0 "[ . 1 . 2]" 2
780 1 60 ASP HB3 1 61 CYS H . . 4.280 3.367 2.565 4.207 . 0 0 "[ . 1 . 2]" 2
781 1 30 LEU H 1 61 CYS HA . . 4.830 3.599 3.268 3.876 . 0 0 "[ . 1 . 2]" 2
782 1 58 HIS HB2 1 61 CYS HA . . 4.860 4.097 4.044 4.150 . 0 0 "[ . 1 . 2]" 2
783 1 30 LEU HB2 1 61 CYS HA . . 5.430 4.984 4.639 5.434 0.004 12 0 "[ . 1 . 2]" 2
784 1 26 ALA MB 1 61 CYS HA . . 4.250 3.769 3.682 3.841 . 0 0 "[ . 1 . 2]" 2
785 1 30 LEU MD2 1 61 CYS HA . . 5.420 4.913 4.645 5.127 . 0 0 "[ . 1 . 2]" 2
786 1 30 LEU MD1 1 61 CYS HB2 . . 4.940 4.580 4.167 4.853 . 0 0 "[ . 1 . 2]" 2
787 1 26 ALA MB 1 61 CYS HB2 . . 3.900 3.876 3.733 3.945 0.045 6 0 "[ . 1 . 2]" 2
788 1 58 HIS HB2 1 61 CYS HB2 . . 3.940 1.981 1.956 1.993 . 0 0 "[ . 1 . 2]" 2
789 1 44 TRP HZ3 1 61 CYS HB2 . . 5.120 3.424 2.360 3.771 . 0 0 "[ . 1 . 2]" 2
790 1 58 HIS HB2 1 61 CYS HB3 . . 3.670 1.998 1.981 2.106 . 0 0 "[ . 1 . 2]" 2
791 1 26 ALA MB 1 61 CYS HB3 . . 3.510 2.902 2.700 2.995 . 0 0 "[ . 1 . 2]" 2
792 1 62 SER HB2 1 64 LEU HG . . 4.020 3.135 2.182 3.810 . 0 0 "[ . 1 . 2]" 2
793 1 62 SER HB2 1 64 LEU MD1 . . 4.270 3.042 2.034 3.422 . 0 0 "[ . 1 . 2]" 2
794 1 63 SER HB2 1 64 LEU H . . 5.500 4.546 4.324 4.643 . 0 0 "[ . 1 . 2]" 2
795 1 63 SER HB3 1 64 LEU H . . 5.500 4.338 4.192 4.643 . 0 0 "[ . 1 . 2]" 2
796 1 59 ARG HG2 1 64 LEU HB2 . . 3.560 3.215 2.154 3.561 0.001 6 0 "[ . 1 . 2]" 2
797 1 59 ARG HA 1 64 LEU HB2 . . 4.540 3.801 3.610 4.057 . 0 0 "[ . 1 . 2]" 2
798 1 64 LEU H 1 64 LEU HB3 . . 4.140 3.624 3.553 3.693 . 0 0 "[ . 1 . 2]" 2
799 1 57 THR MG 1 64 LEU MD2 . . 5.200 4.889 4.459 5.154 . 0 0 "[ . 1 . 2]" 2
800 1 64 LEU MD2 1 71 TRP HB3 . . 4.220 3.683 3.379 4.167 . 0 0 "[ . 1 . 2]" 2
801 1 62 SER HB2 1 64 LEU MD2 . . 4.410 3.857 2.597 4.459 0.049 20 0 "[ . 1 . 2]" 2
802 1 64 LEU MD2 1 71 TRP HA . . 4.170 3.152 2.716 3.464 . 0 0 "[ . 1 . 2]" 2
803 1 65 ARG HB2 1 68 SER HA . . 5.140 4.245 3.570 4.791 . 0 0 "[ . 1 . 2]" 2
804 1 69 LYS HA 1 69 LYS QD . . 4.740 3.942 3.056 4.273 . 0 0 "[ . 1 . 2]" 2
805 1 65 ARG HB2 1 66 PRO HD3 . . 4.930 4.671 4.631 4.703 . 0 0 "[ . 1 . 2]" 2
806 1 65 ARG HB2 1 66 PRO HD2 . . 3.990 3.579 3.525 3.624 . 0 0 "[ . 1 . 2]" 2
807 1 59 ARG HD2 1 66 PRO HA . . 4.960 4.820 3.754 4.971 0.011 3 0 "[ . 1 . 2]" 2
808 1 59 ARG HD3 1 66 PRO HA . . 4.960 4.025 3.468 4.963 0.003 13 0 "[ . 1 . 2]" 2
809 1 64 LEU HB3 1 68 SER HB2 . . 3.960 3.207 2.714 3.876 . 0 0 "[ . 1 . 2]" 2
810 1 64 LEU HB3 1 68 SER HB3 . . 3.960 3.243 2.604 3.955 . 0 0 "[ . 1 . 2]" 2
811 1 64 LEU MD1 1 70 LYS HA . . 5.500 5.349 5.018 5.557 0.057 17 0 "[ . 1 . 2]" 2
812 1 50 ALA MB 1 70 LYS HA . . 4.600 3.888 3.497 4.274 . 0 0 "[ . 1 . 2]" 2
813 1 70 LYS HA 1 70 LYS QD . . 4.660 4.289 4.013 4.402 . 0 0 "[ . 1 . 2]" 2
814 1 64 LEU MD1 1 71 TRP HB2 . . 4.210 2.031 1.938 2.282 . 0 0 "[ . 1 . 2]" 2
815 1 64 LEU MD2 1 71 TRP HB2 . . 4.220 2.144 1.950 2.674 . 0 0 "[ . 1 . 2]" 2
816 1 72 GLU HA 1 72 GLU HG2 . . 3.980 2.917 2.486 3.617 . 0 0 "[ . 1 . 2]" 2
817 1 72 GLU HB2 1 73 CYS H . . 4.650 4.027 3.625 4.272 . 0 0 "[ . 1 . 2]" 2
818 1 72 GLU HB3 1 76 CYS HB3 . . 4.810 2.982 2.606 3.356 . 0 0 "[ . 1 . 2]" 2
819 1 72 GLU HB2 1 76 CYS HB3 . . 4.670 4.503 4.059 4.674 0.004 13 0 "[ . 1 . 2]" 2
820 1 72 GLU HB2 1 77 LEU HB2 . . 5.500 5.256 4.556 5.497 . 0 0 "[ . 1 . 2]" 2
821 1 51 THR MG 1 72 GLU HB3 . . 5.500 4.859 4.343 5.247 . 0 0 "[ . 1 . 2]" 2
822 1 72 GLU HB3 1 77 LEU HB2 . . 5.500 5.135 4.717 5.505 0.005 11 0 "[ . 1 . 2]" 2
823 1 72 GLU HB3 1 77 LEU MD1 . . 4.710 4.275 3.718 4.656 . 0 0 "[ . 1 . 2]" 2
824 1 72 GLU HG3 1 77 LEU MD2 . . 4.820 4.462 4.153 4.795 . 0 0 "[ . 1 . 2]" 2
825 1 72 GLU HG2 1 76 CYS HB3 . . 4.720 3.638 3.299 4.158 . 0 0 "[ . 1 . 2]" 2
826 1 70 LYS QE 1 72 GLU HG3 . . 4.680 3.399 1.989 4.709 0.029 13 0 "[ . 1 . 2]" 2
827 1 72 GLU HA 1 72 GLU HG3 . . 3.940 2.600 2.404 2.760 . 0 0 "[ . 1 . 2]" 2
828 1 72 GLU HG2 1 73 CYS H . . 5.120 4.203 3.689 4.999 . 0 0 "[ . 1 . 2]" 2
829 1 51 THR H 1 72 GLU HG3 . . 4.880 3.488 2.498 4.038 . 0 0 "[ . 1 . 2]" 2
830 1 50 ALA H 1 72 GLU HG3 . . 4.930 3.604 2.356 4.043 . 0 0 "[ . 1 . 2]" 2
831 1 50 ALA H 1 72 GLU HG2 . . 4.790 3.981 2.864 4.784 . 0 0 "[ . 1 . 2]" 2
832 1 73 CYS HA 1 74 ASN HA . . 5.020 4.297 4.292 4.307 . 0 0 "[ . 1 . 2]" 2
833 1 73 CYS HA 1 74 ASN HB2 . . 5.500 4.732 4.486 4.984 . 0 0 "[ . 1 . 2]" 2
834 1 73 CYS HA 1 74 ASN HB3 . . 5.500 5.007 4.674 5.372 . 0 0 "[ . 1 . 2]" 2
835 1 49 CYS HB2 1 73 CYS HB2 . . 4.350 4.002 3.708 4.218 . 0 0 "[ . 1 . 2]" 2
836 1 55 HIS HB3 1 73 CYS HB2 . . 3.690 3.383 3.056 3.679 . 0 0 "[ . 1 . 2]" 2
837 1 71 TRP HH2 1 73 CYS HB2 . . 4.530 3.976 3.499 4.376 . 0 0 "[ . 1 . 2]" 2
838 1 71 TRP HH2 1 73 CYS HB3 . . 4.560 3.452 3.171 3.771 . 0 0 "[ . 1 . 2]" 2
839 1 55 HIS HB3 1 73 CYS HB3 . . 3.870 3.381 3.033 3.669 . 0 0 "[ . 1 . 2]" 2
840 1 55 HIS HB2 1 73 CYS HB3 . . 4.090 2.051 1.986 2.197 . 0 0 "[ . 1 . 2]" 2
841 1 74 ASN HA 1 77 LEU HB2 . . 4.350 2.322 2.099 2.502 . 0 0 "[ . 1 . 2]" 2
842 1 74 ASN HA 1 77 LEU HB3 . . 4.620 3.939 3.701 4.159 . 0 0 "[ . 1 . 2]" 2
843 1 74 ASN HA 1 77 LEU HG . . 4.890 3.638 3.234 4.129 . 0 0 "[ . 1 . 2]" 2
844 1 74 ASN HA 1 77 LEU H . . 4.900 3.387 3.199 3.565 . 0 0 "[ . 1 . 2]" 2
845 1 51 THR MG 1 76 CYS HA . . 4.550 3.934 3.467 4.246 . 0 0 "[ . 1 . 2]" 2
846 1 51 THR HB 1 76 CYS HB3 . . 4.050 3.192 2.573 3.465 . 0 0 "[ . 1 . 2]" 2
847 1 51 THR HB 1 76 CYS HB2 . . 4.300 3.711 3.184 3.906 . 0 0 "[ . 1 . 2]" 2
848 1 72 GLU HB3 1 76 CYS HB2 . . 4.020 2.549 2.354 2.822 . 0 0 "[ . 1 . 2]" 2
849 1 72 GLU HB2 1 76 CYS HB2 . . 4.200 4.150 3.898 4.213 0.013 2 0 "[ . 1 . 2]" 2
850 1 77 LEU HA 1 78 PRO QG . . 4.590 3.997 3.959 4.038 . 0 0 "[ . 1 . 2]" 2
851 1 77 LEU HA 1 77 LEU HG . . 3.830 2.899 2.809 2.997 . 0 0 "[ . 1 . 2]" 2
852 1 78 PRO HA 1 79 ALA MB . . 4.870 4.328 3.710 4.873 0.003 17 0 "[ . 1 . 2]" 2
853 1 77 LEU H 1 78 PRO HD2 . . 5.050 4.738 4.711 4.775 . 0 0 "[ . 1 . 2]" 2
854 1 77 LEU MD2 1 78 PRO HD2 . . 4.150 2.063 1.960 2.340 . 0 0 "[ . 1 . 2]" 2
855 1 77 LEU HB2 1 78 PRO HD2 . . 4.820 3.675 3.606 3.774 . 0 0 "[ . 1 . 2]" 2
856 1 77 LEU HB2 1 78 PRO HD3 . . 4.820 4.728 4.681 4.789 . 0 0 "[ . 1 . 2]" 2
857 1 79 ALA MB 1 80 SER HA . . 5.180 4.315 3.915 4.989 . 0 0 "[ . 1 . 2]" 2
858 1 57 THR MG 1 71 TRP HD1 . . 5.300 4.951 4.577 5.275 . 0 0 "[ . 1 . 2]" 2
859 1 64 LEU MD1 1 71 TRP HD1 . . 4.170 3.281 2.779 3.788 . 0 0 "[ . 1 . 2]" 2
860 1 64 LEU MD2 1 71 TRP HD1 . . 3.600 2.041 1.864 2.367 . 0 0 "[ . 1 . 2]" 2
861 1 64 LEU HG 1 71 TRP HD1 . . 4.740 3.852 3.429 4.348 . 0 0 "[ . 1 . 2]" 2
862 1 43 ARG QB 1 44 TRP HD1 . . 5.500 5.253 4.157 5.498 . 0 0 "[ . 1 . 2]" 2
863 1 44 TRP HB2 1 44 TRP HD1 . . 3.560 2.548 2.546 2.553 . 0 0 "[ . 1 . 2]" 2
864 1 44 TRP HB3 1 44 TRP HD1 . . 3.610 3.569 3.520 3.608 . 0 0 "[ . 1 . 2]" 2
865 1 55 HIS HD2 1 73 CYS HB3 . . 5.320 3.918 3.329 4.770 . 0 0 "[ . 1 . 2]" 2
866 1 55 HIS HD2 1 73 CYS HB2 . . 4.810 3.652 3.077 4.446 . 0 0 "[ . 1 . 2]" 2
867 1 55 HIS HA 1 55 HIS HD2 . . 3.800 3.388 2.622 3.814 0.014 17 0 "[ . 1 . 2]" 2
868 1 44 TRP HB2 1 58 HIS HD2 . . 4.470 4.307 4.056 4.474 0.004 17 0 "[ . 1 . 2]" 2
869 1 44 TRP HB3 1 58 HIS HD2 . . 3.870 2.721 2.473 2.921 . 0 0 "[ . 1 . 2]" 2
870 1 38 PHE HA 1 58 HIS HD2 . . 4.150 3.496 3.217 3.793 . 0 0 "[ . 1 . 2]" 2
871 1 44 TRP HA 1 58 HIS HD2 . . 3.630 2.953 2.703 3.285 . 0 0 "[ . 1 . 2]" 2
872 1 58 HIS HA 1 58 HIS HD2 . . 3.700 3.624 3.474 3.707 0.007 15 0 "[ . 1 . 2]" 2
873 1 38 PHE HZ 1 58 HIS HD2 . . 5.500 5.108 4.613 5.380 . 0 0 "[ . 1 . 2]" 2
874 1 64 LEU MD1 1 71 TRP HB3 . . 4.210 2.942 2.747 3.251 . 0 0 "[ . 1 . 2]" 2
875 1 64 LEU HA 1 64 LEU MD1 . . 4.420 3.900 3.846 3.958 . 0 0 "[ . 1 . 2]" 2
876 1 64 LEU MD1 1 71 TRP H . . 4.860 4.666 4.487 4.820 . 0 0 "[ . 1 . 2]" 2
877 1 30 LEU HB3 1 44 TRP HZ2 . . 5.100 4.885 4.354 5.111 0.011 9 0 "[ . 1 . 2]" 2
878 1 43 ARG HD3 1 44 TRP HZ2 . . 4.520 3.686 2.998 4.523 0.003 1 0 "[ . 1 . 2]" 2
879 1 43 ARG HD2 1 44 TRP HZ2 . . 4.520 3.490 2.565 4.528 0.008 13 0 "[ . 1 . 2]" 2
880 1 30 LEU MD2 1 44 TRP HH2 . . 4.670 4.397 4.112 4.598 . 0 0 "[ . 1 . 2]" 2
881 1 30 LEU MD1 1 44 TRP HH2 . . 4.250 2.477 1.920 3.056 . 0 0 "[ . 1 . 2]" 2
882 1 30 LEU HB3 1 44 TRP HH2 . . 3.580 3.269 2.960 3.649 0.069 12 0 "[ . 1 . 2]" 2
883 1 30 LEU HB2 1 44 TRP HH2 . . 3.440 2.039 1.965 2.206 . 0 0 "[ . 1 . 2]" 2
884 1 30 LEU HA 1 44 TRP HH2 . . 4.950 4.880 4.647 4.969 0.019 11 0 "[ . 1 . 2]" 2
885 1 57 THR MG 1 71 TRP HZ2 . . 4.300 3.083 2.643 3.373 . 0 0 "[ . 1 . 2]" 2
886 1 30 LEU HB2 1 44 TRP HZ2 . . 5.210 4.162 3.021 4.468 . 0 0 "[ . 1 . 2]" 2
887 1 71 TRP HZ2 1 73 CYS HB3 . . 5.490 3.894 3.662 4.315 . 0 0 "[ . 1 . 2]" 2
888 1 71 TRP HZ2 1 73 CYS HB2 . . 4.150 3.819 3.627 4.021 . 0 0 "[ . 1 . 2]" 2
889 1 71 TRP HZ2 1 73 CYS HA . . 3.850 2.391 2.075 2.719 . 0 0 "[ . 1 . 2]" 2
890 1 71 TRP HZ2 1 74 ASN H . . 4.650 3.859 3.450 4.210 . 0 0 "[ . 1 . 2]" 2
891 1 57 THR MG 1 71 TRP HH2 . . 4.550 3.478 2.660 3.876 . 0 0 "[ . 1 . 2]" 2
892 1 55 HIS HB2 1 71 TRP HH2 . . 4.550 2.449 2.001 2.944 . 0 0 "[ . 1 . 2]" 2
893 1 31 TYR HA 1 44 TRP HH2 . . 4.780 4.059 3.475 4.566 . 0 0 "[ . 1 . 2]" 2
894 1 55 HIS HB3 1 71 TRP HH2 . . 4.240 2.055 1.994 2.273 . 0 0 "[ . 1 . 2]" 2
895 1 71 TRP HH2 1 73 CYS HA . . 4.080 3.679 3.094 4.081 0.001 4 0 "[ . 1 . 2]" 2
896 1 49 CYS H 1 71 TRP HH2 . . 4.540 3.780 3.470 4.342 . 0 0 "[ . 1 . 2]" 2
897 1 49 CYS HB3 1 71 TRP HE3 . . 5.430 5.286 5.113 5.412 . 0 0 "[ . 1 . 2]" 2
898 1 48 LEU HA 1 71 TRP HE3 . . 5.140 3.731 3.328 4.036 . 0 0 "[ . 1 . 2]" 2
899 1 56 GLY HA2 1 71 TRP HE3 . . 5.160 4.834 4.612 5.091 . 0 0 "[ . 1 . 2]" 2
900 1 50 ALA H 1 71 TRP HE3 . . 4.880 4.752 4.576 4.882 0.002 16 0 "[ . 1 . 2]" 2
901 1 57 THR MG 1 71 TRP HZ3 . . 5.310 4.012 3.363 4.304 . 0 0 "[ . 1 . 2]" 2
902 1 55 HIS HB2 1 71 TRP HZ3 . . 4.710 3.650 3.146 4.021 . 0 0 "[ . 1 . 2]" 2
903 1 49 CYS HB3 1 71 TRP HZ3 . . 4.470 4.319 4.057 4.474 0.004 12 0 "[ . 1 . 2]" 2
904 1 49 CYS HA 1 71 TRP HZ3 . . 4.590 3.305 2.997 3.500 . 0 0 "[ . 1 . 2]" 2
905 1 48 LEU HA 1 71 TRP HZ3 . . 4.890 2.306 1.998 2.922 . 0 0 "[ . 1 . 2]" 2
906 1 44 TRP HZ3 1 58 HIS HB2 . . 4.360 3.971 3.111 4.265 . 0 0 "[ . 1 . 2]" 2
907 1 44 TRP HZ3 1 58 HIS HD2 . . 5.410 5.132 4.707 5.416 0.006 15 0 "[ . 1 . 2]" 2
908 1 30 LEU MD1 1 44 TRP HE3 . . 5.380 5.203 4.745 5.390 0.010 15 0 "[ . 1 . 2]" 2
909 1 44 TRP HE3 1 58 HIS HB3 . . 4.950 2.518 1.994 2.720 . 0 0 "[ . 1 . 2]" 2
910 1 44 TRP HA 1 44 TRP HE3 . . 4.430 2.178 2.019 2.270 . 0 0 "[ . 1 . 2]" 2
911 1 21 TYR QE 1 48 LEU MD2 . . 4.630 4.574 4.269 4.665 0.035 18 0 "[ . 1 . 2]" 2
912 1 21 TYR QE 1 23 HIS HB2 . . 4.760 3.483 2.630 4.402 . 0 0 "[ . 1 . 2]" 2
913 1 21 TYR QE 1 55 HIS HB3 . . 4.620 3.904 3.320 4.364 . 0 0 "[ . 1 . 2]" 2
914 1 21 TYR QE 1 22 ARG HA . . 5.020 4.519 3.743 5.001 . 0 0 "[ . 1 . 2]" 2
915 1 21 TYR HA 1 21 TYR QE . . 4.840 4.732 4.635 4.814 . 0 0 "[ . 1 . 2]" 2
916 1 21 TYR QE 1 55 HIS HA . . 3.470 2.484 2.000 3.065 . 0 0 "[ . 1 . 2]" 2
917 1 21 TYR QE 1 56 GLY H . . 3.900 2.144 1.887 2.789 . 0 0 "[ . 1 . 2]" 2
918 1 31 TYR QE 1 33 GLN HB3 . . 4.150 3.105 2.412 3.540 . 0 0 "[ . 1 . 2]" 2
919 1 31 TYR QE 1 33 GLN HG3 . . 4.580 4.422 4.167 4.588 0.008 19 0 "[ . 1 . 2]" 2
920 1 31 TYR QE 1 33 GLN HG2 . . 4.580 3.291 2.741 4.492 . 0 0 "[ . 1 . 2]" 2
921 1 31 TYR QE 1 33 GLN HB2 . . 4.150 2.457 2.033 2.767 . 0 0 "[ . 1 . 2]" 2
922 1 31 TYR QE 1 44 TRP HB2 . . 4.780 4.426 3.871 4.786 0.006 17 0 "[ . 1 . 2]" 2
923 1 31 TYR QE 1 44 TRP HB3 . . 4.300 4.093 3.644 4.293 . 0 0 "[ . 1 . 2]" 2
924 1 31 TYR QE 1 37 SER HB3 . . 4.160 3.067 2.136 4.087 . 0 0 "[ . 1 . 2]" 2
925 1 31 TYR QE 1 37 SER HB2 . . 4.160 3.632 2.742 4.152 . 0 0 "[ . 1 . 2]" 2
926 1 31 TYR QE 1 44 TRP HD1 . . 4.110 3.323 2.868 3.979 . 0 0 "[ . 1 . 2]" 2
927 1 31 TYR QE 1 44 TRP HE1 . . 4.700 3.390 2.846 3.987 . 0 0 "[ . 1 . 2]" 2
928 1 23 HIS HA 1 23 HIS HD2 . . 4.660 3.382 2.215 4.527 . 0 0 "[ . 1 . 2]" 2
929 1 59 ARG HA 1 59 ARG HG3 . . 4.090 3.464 2.829 3.537 . 0 0 "[ . 1 . 2]" 2
930 1 59 ARG H 1 59 ARG HG3 . . 5.140 4.565 4.298 4.671 . 0 0 "[ . 1 . 2]" 2
931 1 59 ARG HG3 1 60 ASP H . . 5.500 4.497 4.376 4.662 . 0 0 "[ . 1 . 2]" 2
932 1 38 PHE QE 1 46 LEU MD1 . . 4.960 2.456 2.097 2.769 . 0 0 "[ . 1 . 2]" 2
933 1 57 THR MG 1 71 TRP HE3 . . 4.770 4.301 3.814 4.627 . 0 0 "[ . 1 . 2]" 2
934 1 23 HIS HA 1 38 PHE HZ . . 4.720 4.526 4.216 4.716 . 0 0 "[ . 1 . 2]" 2
935 1 24 CYS HB3 1 25 ASP H . . 4.800 4.455 4.349 4.544 . 0 0 "[ . 1 . 2]" 2
936 1 32 GLU HA 1 34 GLY H . . 4.960 4.584 4.112 4.972 0.012 6 0 "[ . 1 . 2]" 2
937 1 47 ILE HA 1 48 LEU HB2 . . 4.930 4.444 4.323 4.551 . 0 0 "[ . 1 . 2]" 2
938 1 24 CYS HB3 1 58 HIS HE1 . . 3.950 3.295 3.071 3.557 . 0 0 "[ . 1 . 2]" 2
939 1 24 CYS HB2 1 58 HIS HE1 . . 4.710 2.094 1.999 2.398 . 0 0 "[ . 1 . 2]" 2
940 1 8 GLU H 1 8 GLU QB . . 3.560 2.693 2.255 3.293 . 0 0 "[ . 1 . 2]" 2
941 1 8 GLU HA 1 9 LEU QB . . 5.340 4.419 4.154 4.623 . 0 0 "[ . 1 . 2]" 2
942 1 9 LEU H 1 9 LEU QB . . 3.310 2.647 2.217 3.328 0.018 12 0 "[ . 1 . 2]" 2
943 1 9 LEU HA 1 9 LEU QD . . 3.640 3.000 2.037 3.432 . 0 0 "[ . 1 . 2]" 2
944 1 10 GLU H 1 10 GLU QB . . 3.180 2.396 2.207 2.791 . 0 0 "[ . 1 . 2]" 2
945 1 10 GLU H 1 11 PRO QD . . 5.260 4.168 3.817 4.347 . 0 0 "[ . 1 . 2]" 2
946 1 10 GLU HA 1 11 PRO QD . . 2.760 1.912 1.857 1.990 . 0 0 "[ . 1 . 2]" 2
947 1 10 GLU QB 1 13 ALA MB . . 3.850 3.022 2.274 3.764 . 0 0 "[ . 1 . 2]" 2
948 1 10 GLU QG 1 11 PRO QD . . 4.150 3.518 2.926 4.093 . 0 0 "[ . 1 . 2]" 2
949 1 14 PHE QB 1 15 SER H . . 4.180 3.086 2.265 4.004 . 0 0 "[ . 1 . 2]" 2
950 1 15 SER HA 1 16 GLU QB . . 4.380 4.211 3.820 4.354 . 0 0 "[ . 1 . 2]" 2
951 1 16 GLU HA 1 17 LEU QD . . 4.710 4.146 3.839 4.568 . 0 0 "[ . 1 . 2]" 2
952 1 16 GLU QB 1 17 LEU H . . 3.460 2.517 2.038 3.432 . 0 0 "[ . 1 . 2]" 2
953 1 16 GLU QB 1 17 LEU HG . . 4.710 4.532 3.517 4.730 0.020 18 0 "[ . 1 . 2]" 2
954 1 16 GLU QG 1 17 LEU QD . . 5.440 4.776 4.165 5.317 . 0 0 "[ . 1 . 2]" 2
955 1 17 LEU H 1 17 LEU QB . . 3.600 2.587 2.294 2.832 . 0 0 "[ . 1 . 2]" 2
956 1 17 LEU H 1 17 LEU QD . . 4.400 3.326 2.975 3.549 . 0 0 "[ . 1 . 2]" 2
957 1 17 LEU HA 1 17 LEU QD . . 3.970 2.364 1.984 3.399 . 0 0 "[ . 1 . 2]" 2
958 1 17 LEU QB 1 18 TYR H . . 3.560 2.852 2.129 3.532 . 0 0 "[ . 1 . 2]" 2
959 1 17 LEU QB 1 19 GLN H . . 4.640 3.402 2.552 4.642 0.002 15 0 "[ . 1 . 2]" 2
960 1 18 TYR H 1 18 TYR QB . . 3.080 2.463 2.164 3.164 0.084 14 0 "[ . 1 . 2]" 2
961 1 18 TYR QB 1 19 GLN H . . 3.750 2.759 2.224 3.899 0.149 14 0 "[ . 1 . 2]" 2
962 1 18 TYR QB 1 19 GLN HA . . 5.340 4.147 3.771 4.629 . 0 0 "[ . 1 . 2]" 2
963 1 18 TYR QB 1 19 GLN QG . . 4.490 3.695 2.542 4.489 . 0 0 "[ . 1 . 2]" 2
964 1 19 GLN H 1 19 GLN QB . . 3.630 2.392 2.157 3.165 . 0 0 "[ . 1 . 2]" 2
965 1 19 GLN QB 1 20 ARG H . . 4.200 2.453 2.231 2.900 . 0 0 "[ . 1 . 2]" 2
966 1 20 ARG H 1 20 ARG QB . . 3.420 2.272 2.115 2.882 . 0 0 "[ . 1 . 2]" 2
967 1 20 ARG QB 1 20 ARG QG . . 2.290 2.035 2.003 2.083 . 0 0 "[ . 1 . 2]" 2
968 1 20 ARG QB 1 20 ARG QD . . 3.160 2.227 2.015 2.722 . 0 0 "[ . 1 . 2]" 2
969 1 20 ARG QB 1 21 TYR H . . 3.770 3.281 2.467 3.731 . 0 0 "[ . 1 . 2]" 2
970 1 21 TYR QE 1 23 HIS QB . . 3.900 2.786 2.562 3.178 . 0 0 "[ . 1 . 2]" 2
971 1 21 TYR QE 1 25 ASP QB . . 4.780 3.743 2.944 4.767 . 0 0 "[ . 1 . 2]" 2
972 1 22 ARG H 1 22 ARG QB . . 3.370 2.947 2.593 3.326 . 0 0 "[ . 1 . 2]" 2
973 1 22 ARG H 1 22 ARG QG . . 3.610 2.551 2.040 3.294 . 0 0 "[ . 1 . 2]" 2
974 1 22 ARG H 1 23 HIS QB . . 4.690 4.053 3.694 4.625 . 0 0 "[ . 1 . 2]" 2
975 1 22 ARG HA 1 22 ARG QG . . 3.530 2.960 2.308 3.344 . 0 0 "[ . 1 . 2]" 2
976 1 22 ARG HA 1 23 HIS QB . . 5.340 4.414 4.158 4.827 . 0 0 "[ . 1 . 2]" 2
977 1 22 ARG HA 1 46 LEU QD . . 3.360 2.506 2.064 3.038 . 0 0 "[ . 1 . 2]" 2
978 1 22 ARG QB 1 22 ARG QG . . 2.340 2.070 2.018 2.086 . 0 0 "[ . 1 . 2]" 2
979 1 22 ARG QB 1 22 ARG QD . . 3.100 2.187 2.018 2.526 . 0 0 "[ . 1 . 2]" 2
980 1 22 ARG QB 1 23 HIS H . . 4.250 3.738 3.460 4.032 . 0 0 "[ . 1 . 2]" 2
981 1 22 ARG QB 1 46 LEU QD . . 3.460 2.134 1.711 3.114 . 0 0 "[ . 1 . 2]" 2
982 1 22 ARG QG 1 46 LEU QD . . 3.830 2.874 1.818 3.804 . 0 0 "[ . 1 . 2]" 2
983 1 22 ARG QD 1 46 LEU QD . . 4.170 2.875 1.848 3.810 . 0 0 "[ . 1 . 2]" 2
984 1 23 HIS H 1 23 HIS QB . . 3.680 2.718 2.400 2.792 . 0 0 "[ . 1 . 2]" 2
985 1 23 HIS H 1 46 LEU QD . . 4.250 3.742 3.287 4.253 0.003 9 0 "[ . 1 . 2]" 2
986 1 25 ASP H 1 25 ASP QB . . 3.500 2.550 2.363 2.911 . 0 0 "[ . 1 . 2]" 2
987 1 25 ASP QB 1 26 ALA H . . 4.130 3.789 3.318 4.053 . 0 0 "[ . 1 . 2]" 2
988 1 25 ASP QB 1 56 GLY H . . 4.370 3.647 3.198 4.335 . 0 0 "[ . 1 . 2]" 2
989 1 26 ALA MB 1 27 PRO QG . . 4.200 3.318 3.289 3.353 . 0 0 "[ . 1 . 2]" 2
990 1 27 PRO HB2 1 63 SER QB . . 4.710 4.693 4.468 4.760 0.050 15 0 "[ . 1 . 2]" 2
991 1 27 PRO QG 1 28 ILE H . . 3.530 1.973 1.888 2.150 . 0 0 "[ . 1 . 2]" 2
992 1 27 PRO QG 1 63 SER QB . . 2.890 2.845 2.729 2.897 0.007 17 0 "[ . 1 . 2]" 2
993 1 29 CYS H 1 29 CYS QB . . 3.220 2.477 2.419 2.524 . 0 0 "[ . 1 . 2]" 2
994 1 29 CYS QB 1 30 LEU HG . . 5.340 5.030 4.883 5.243 . 0 0 "[ . 1 . 2]" 2
995 1 30 LEU MD1 1 60 ASP QB . . 4.060 2.376 1.922 3.216 . 0 0 "[ . 1 . 2]" 2
996 1 31 TYR QB 1 44 TRP HE3 . . 3.900 3.180 2.698 3.540 . 0 0 "[ . 1 . 2]" 2
997 1 31 TYR QB 1 44 TRP HZ3 . . 4.940 3.166 2.651 3.796 . 0 0 "[ . 1 . 2]" 2
998 1 31 TYR QB 1 58 HIS HE1 . . 4.390 4.350 4.184 4.411 0.021 15 0 "[ . 1 . 2]" 2
999 1 31 TYR QE 1 33 GLN QB . . 3.600 2.354 2.005 2.632 . 0 0 "[ . 1 . 2]" 2
1000 1 31 TYR QE 1 33 GLN QG . . 4.010 3.158 2.706 4.005 . 0 0 "[ . 1 . 2]" 2
1001 1 31 TYR QE 1 37 SER QB . . 3.610 2.816 2.119 3.448 . 0 0 "[ . 1 . 2]" 2
1002 1 32 GLU H 1 32 GLU QG . . 4.100 3.165 2.023 4.097 . 0 0 "[ . 1 . 2]" 2
1003 1 33 GLN H 1 33 GLN QB . . 3.470 2.136 2.104 2.241 . 0 0 "[ . 1 . 2]" 2
1004 1 33 GLN HA 1 33 GLN QG . . 3.390 2.485 2.132 2.845 . 0 0 "[ . 1 . 2]" 2
1005 1 33 GLN QB 1 34 GLY H . . 4.150 2.367 2.029 2.877 . 0 0 "[ . 1 . 2]" 2
1006 1 33 GLN QB 1 35 ARG HG2 . . 4.310 2.880 2.017 3.416 . 0 0 "[ . 1 . 2]" 2
1007 1 33 GLN QB 1 37 SER QB . . 3.530 3.163 2.625 3.537 0.007 2 0 "[ . 1 . 2]" 2
1008 1 33 GLN QG 1 34 GLY H . . 5.340 4.036 3.697 4.601 . 0 0 "[ . 1 . 2]" 2
1009 1 33 GLN QG 1 35 ARG QB . . 3.970 3.409 2.709 4.001 0.031 7 0 "[ . 1 . 2]" 2
1010 1 33 GLN QG 1 35 ARG QD . . 3.460 2.301 1.780 3.386 . 0 0 "[ . 1 . 2]" 2
1011 1 34 GLY QA 1 35 ARG H . . 2.960 2.677 2.445 2.835 . 0 0 "[ . 1 . 2]" 2
1012 1 35 ARG H 1 35 ARG QB . . 3.200 2.718 2.177 3.193 . 0 0 "[ . 1 . 2]" 2
1013 1 35 ARG H 1 35 ARG QD . . 4.310 3.922 3.303 4.312 0.002 14 0 "[ . 1 . 2]" 2
1014 1 35 ARG QB 1 35 ARG QD . . 3.310 2.165 2.040 2.573 . 0 0 "[ . 1 . 2]" 2
1015 1 35 ARG HG2 1 37 SER QB . . 4.700 2.202 1.969 2.830 . 0 0 "[ . 1 . 2]" 2
1016 1 35 ARG QD 1 36 ASP H . . 5.250 4.127 3.173 4.518 . 0 0 "[ . 1 . 2]" 2
1017 1 36 ASP H 1 36 ASP QB . . 3.530 2.666 2.278 2.825 . 0 0 "[ . 1 . 2]" 2
1018 1 36 ASP H 1 37 SER QB . . 5.340 4.539 4.274 4.873 . 0 0 "[ . 1 . 2]" 2
1019 1 36 ASP HA 1 46 LEU QD . . 5.420 4.325 4.060 4.577 . 0 0 "[ . 1 . 2]" 2
1020 1 37 SER H 1 37 SER QB . . 3.310 2.405 2.197 2.690 . 0 0 "[ . 1 . 2]" 2
1021 1 37 SER QB 1 38 PHE H . . 3.820 3.489 3.012 3.828 0.008 16 0 "[ . 1 . 2]" 2
1022 1 38 PHE H 1 38 PHE QB . . 3.520 2.877 2.769 2.985 . 0 0 "[ . 1 . 2]" 2
1023 1 38 PHE QB 1 39 GLU H . . 3.440 2.462 2.266 2.807 . 0 0 "[ . 1 . 2]" 2
1024 1 38 PHE QB 1 45 ARG HA . . 4.500 2.290 1.978 2.534 . 0 0 "[ . 1 . 2]" 2
1025 1 38 PHE QB 1 46 LEU H . . 3.980 2.110 1.855 2.402 . 0 0 "[ . 1 . 2]" 2
1026 1 38 PHE QB 1 46 LEU QB . . 4.310 2.253 1.994 2.551 . 0 0 "[ . 1 . 2]" 2
1027 1 38 PHE QB 1 46 LEU QD . . 4.780 3.324 3.008 3.633 . 0 0 "[ . 1 . 2]" 2
1028 1 38 PHE QD 1 46 LEU QB . . 3.790 2.736 2.463 2.929 . 0 0 "[ . 1 . 2]" 2
1029 1 38 PHE QD 1 46 LEU QD . . 4.000 2.637 1.967 3.147 . 0 0 "[ . 1 . 2]" 2
1030 1 38 PHE QE 1 46 LEU QD . . 3.920 2.432 2.092 2.721 . 0 0 "[ . 1 . 2]" 2
1031 1 38 PHE HZ 1 46 LEU QD . . 4.410 3.237 2.645 3.776 . 0 0 "[ . 1 . 2]" 2
1032 1 39 GLU H 1 39 GLU QB . . 3.430 2.456 2.293 2.846 . 0 0 "[ . 1 . 2]" 2
1033 1 39 GLU H 1 39 GLU QG . . 4.170 3.749 2.037 4.186 0.016 4 0 "[ . 1 . 2]" 2
1034 1 39 GLU QB 1 39 GLU QG . . 2.350 2.044 1.964 2.086 . 0 0 "[ . 1 . 2]" 2
1035 1 39 GLU QB 1 41 GLU H . . 3.740 2.756 2.346 3.127 . 0 0 "[ . 1 . 2]" 2
1036 1 39 GLU QB 1 44 TRP HB2 . . 4.330 3.321 2.934 3.599 . 0 0 "[ . 1 . 2]" 2
1037 1 39 GLU QB 1 44 TRP HB3 . . 4.700 4.529 4.104 4.716 0.016 17 0 "[ . 1 . 2]" 2
1038 1 39 GLU QB 1 44 TRP HD1 . . 5.080 4.403 3.991 4.738 . 0 0 "[ . 1 . 2]" 2
1039 1 39 GLU QG 1 40 ASP H . . 4.460 2.381 1.840 3.891 . 0 0 "[ . 1 . 2]" 2
1040 1 39 GLU QG 1 41 GLU H . . 4.120 3.016 1.891 4.126 0.006 5 0 "[ . 1 . 2]" 2
1041 1 41 GLU H 1 41 GLU QB . . 3.430 3.017 2.672 3.353 . 0 0 "[ . 1 . 2]" 2
1042 1 41 GLU HA 1 45 ARG QD . . 3.890 3.118 2.311 3.543 . 0 0 "[ . 1 . 2]" 2
1043 1 42 GLY QA 1 43 ARG H . . 3.040 2.239 2.109 2.283 . 0 0 "[ . 1 . 2]" 2
1044 1 42 GLY QA 1 43 ARG HA . . 4.560 3.962 3.934 3.997 . 0 0 "[ . 1 . 2]" 2
1045 1 42 GLY QA 1 44 TRP H . . 4.880 3.307 3.012 3.589 . 0 0 "[ . 1 . 2]" 2
1046 1 43 ARG H 1 43 ARG QG . . 3.310 2.091 1.871 2.304 . 0 0 "[ . 1 . 2]" 2
1047 1 43 ARG H 1 43 ARG QD . . 4.430 3.902 3.223 4.209 . 0 0 "[ . 1 . 2]" 2
1048 1 43 ARG HA 1 43 ARG QD . . 4.840 4.404 3.833 4.546 . 0 0 "[ . 1 . 2]" 2
1049 1 43 ARG HA 1 45 ARG QG . . 5.340 3.767 3.408 4.473 . 0 0 "[ . 1 . 2]" 2
1050 1 43 ARG HA 1 59 ARG QD . . 4.500 4.030 3.077 4.443 . 0 0 "[ . 1 . 2]" 2
1051 1 43 ARG HA 1 60 ASP QB . . 5.340 4.463 3.921 4.935 . 0 0 "[ . 1 . 2]" 2
1052 1 43 ARG QB 1 60 ASP QB . . 3.750 2.839 2.436 3.233 . 0 0 "[ . 1 . 2]" 2
1053 1 43 ARG QG 1 44 TRP H . . 4.420 2.322 1.948 3.715 . 0 0 "[ . 1 . 2]" 2
1054 1 43 ARG QG 1 44 TRP HE1 . . 5.090 3.353 3.094 5.108 0.018 13 0 "[ . 1 . 2]" 2
1055 1 43 ARG QD 1 44 TRP HE1 . . 3.970 2.723 2.285 3.922 . 0 0 "[ . 1 . 2]" 2
1056 1 43 ARG QD 1 44 TRP HZ2 . . 3.960 3.064 2.534 3.806 . 0 0 "[ . 1 . 2]" 2
1057 1 44 TRP H 1 59 ARG QB . . 4.710 4.643 4.259 4.722 0.012 18 0 "[ . 1 . 2]" 2
1058 1 44 TRP HH2 1 60 ASP QB . . 5.140 3.649 2.970 4.707 . 0 0 "[ . 1 . 2]" 2
1059 1 45 ARG H 1 45 ARG QG . . 3.190 2.135 1.938 2.386 . 0 0 "[ . 1 . 2]" 2
1060 1 45 ARG H 1 45 ARG QD . . 4.300 3.881 3.482 4.219 . 0 0 "[ . 1 . 2]" 2
1061 1 45 ARG H 1 59 ARG QB . . 4.000 3.059 2.834 3.253 . 0 0 "[ . 1 . 2]" 2
1062 1 45 ARG QG 1 46 LEU H . . 4.400 3.856 3.525 4.154 . 0 0 "[ . 1 . 2]" 2
1063 1 45 ARG QG 1 47 ILE MD . . 3.750 2.773 2.604 2.894 . 0 0 "[ . 1 . 2]" 2
1064 1 45 ARG QG 1 59 ARG HG2 . . 4.850 4.276 3.931 4.860 0.010 15 0 "[ . 1 . 2]" 2
1065 1 45 ARG QD 1 47 ILE MD . . 4.030 3.171 2.710 3.869 . 0 0 "[ . 1 . 2]" 2
1066 1 46 LEU H 1 46 LEU QB . . 2.930 2.203 2.131 2.260 . 0 0 "[ . 1 . 2]" 2
1067 1 46 LEU H 1 46 LEU QD . . 4.270 3.716 3.655 3.771 . 0 0 "[ . 1 . 2]" 2
1068 1 46 LEU HA 1 46 LEU QD . . 3.140 2.642 2.159 3.007 . 0 0 "[ . 1 . 2]" 2
1069 1 46 LEU QB 1 46 LEU QD . . 2.760 1.858 1.797 1.902 . 0 0 "[ . 1 . 2]" 2
1070 1 46 LEU QB 1 47 ILE H . . 4.130 3.886 3.797 3.966 . 0 0 "[ . 1 . 2]" 2
1071 1 46 LEU QD 1 47 ILE H . . 3.400 3.047 2.743 3.379 . 0 0 "[ . 1 . 2]" 2
1072 1 46 LEU QD 1 47 ILE QG . . 5.440 4.621 4.313 4.951 . 0 0 "[ . 1 . 2]" 2
1073 1 46 LEU QD 1 48 LEU HA . . 5.210 3.831 3.358 4.444 . 0 0 "[ . 1 . 2]" 2
1074 1 46 LEU QD 1 48 LEU HG . . 4.190 2.540 1.907 3.207 . 0 0 "[ . 1 . 2]" 2
1075 1 46 LEU QD 1 56 GLY HA2 . . 4.300 3.013 2.658 3.314 . 0 0 "[ . 1 . 2]" 2
1076 1 46 LEU QD 1 56 GLY HA3 . . 3.590 2.531 2.129 2.941 . 0 0 "[ . 1 . 2]" 2
1077 1 46 LEU QD 1 57 THR H . . 3.660 3.191 2.680 3.623 . 0 0 "[ . 1 . 2]" 2
1078 1 46 LEU QD 1 57 THR HA . . 5.440 3.864 3.072 4.605 . 0 0 "[ . 1 . 2]" 2
1079 1 46 LEU QD 1 58 HIS HA . . 5.440 4.737 4.229 5.215 . 0 0 "[ . 1 . 2]" 2
1080 1 47 ILE MD 1 59 ARG QB . . 3.910 2.432 2.134 2.721 . 0 0 "[ . 1 . 2]" 2
1081 1 47 ILE MD 1 59 ARG QD . . 4.260 3.554 3.303 3.787 . 0 0 "[ . 1 . 2]" 2
1082 1 47 ILE MD 1 71 TRP QB . . 4.010 3.244 3.018 3.417 . 0 0 "[ . 1 . 2]" 2
1083 1 50 ALA MB 1 70 LYS QB . . 2.500 2.185 1.946 2.502 0.002 16 0 "[ . 1 . 2]" 2
1084 1 51 THR MG 1 52 CYS QB . . 3.650 3.067 2.602 3.554 . 0 0 "[ . 1 . 2]" 2
1085 1 52 CYS H 1 52 CYS QB . . 3.430 2.744 2.550 2.874 . 0 0 "[ . 1 . 2]" 2
1086 1 52 CYS QB 1 54 SER H . . 4.350 4.032 3.781 4.328 . 0 0 "[ . 1 . 2]" 2
1087 1 52 CYS QB 1 54 SER QB . . 4.390 3.574 3.197 4.203 . 0 0 "[ . 1 . 2]" 2
1088 1 57 THR MG 1 62 SER QB . . 3.380 2.046 1.811 3.005 . 0 0 "[ . 1 . 2]" 2
1089 1 57 THR MG 1 71 TRP QB . . 5.340 4.545 4.239 4.823 . 0 0 "[ . 1 . 2]" 2
1090 1 58 HIS HA 1 59 ARG QB . . 5.250 4.184 4.144 4.227 . 0 0 "[ . 1 . 2]" 2
1091 1 59 ARG H 1 59 ARG QB . . 3.030 2.266 2.189 2.326 . 0 0 "[ . 1 . 2]" 2
1092 1 59 ARG QB 1 59 ARG QD . . 3.130 2.411 2.022 2.602 . 0 0 "[ . 1 . 2]" 2
1093 1 59 ARG QB 1 60 ASP H . . 3.180 1.961 1.908 2.070 . 0 0 "[ . 1 . 2]" 2
1094 1 59 ARG QD 1 64 LEU HB2 . . 3.460 2.426 2.030 3.533 0.073 15 0 "[ . 1 . 2]" 2
1095 1 59 ARG QD 1 66 PRO HA . . 4.280 3.762 3.389 4.286 0.006 6 0 "[ . 1 . 2]" 2
1096 1 60 ASP H 1 60 ASP QB . . 3.150 2.290 2.148 2.721 . 0 0 "[ . 1 . 2]" 2
1097 1 62 SER QB 1 64 LEU HG . . 3.450 2.084 1.942 2.294 . 0 0 "[ . 1 . 2]" 2
1098 1 62 SER QB 1 64 LEU MD1 . . 3.640 2.308 1.968 2.962 . 0 0 "[ . 1 . 2]" 2
1099 1 62 SER QB 1 71 TRP HD1 . . 4.450 3.611 2.676 4.015 . 0 0 "[ . 1 . 2]" 2
1100 1 62 SER QB 1 71 TRP HE1 . . 3.690 3.504 2.749 3.708 0.018 20 0 "[ . 1 . 2]" 2
1101 1 63 SER H 1 63 SER QB . . 3.200 2.814 2.699 3.106 . 0 0 "[ . 1 . 2]" 2
1102 1 64 LEU HB3 1 68 SER QB . . 3.310 2.795 2.533 3.228 . 0 0 "[ . 1 . 2]" 2
1103 1 64 LEU MD1 1 68 SER QB . . 3.800 3.495 3.181 3.828 0.028 20 0 "[ . 1 . 2]" 2
1104 1 64 LEU MD1 1 71 TRP QB . . 3.590 1.994 1.910 2.223 . 0 0 "[ . 1 . 2]" 2
1105 1 64 LEU MD2 1 68 SER QB . . 4.310 3.410 2.869 4.043 . 0 0 "[ . 1 . 2]" 2
1106 1 64 LEU MD2 1 71 TRP QB . . 3.660 2.130 1.939 2.644 . 0 0 "[ . 1 . 2]" 2
1107 1 65 ARG H 1 65 ARG QG . . 3.940 3.488 2.942 3.930 . 0 0 "[ . 1 . 2]" 2
1108 1 65 ARG H 1 68 SER QB . . 3.700 2.506 2.228 3.117 . 0 0 "[ . 1 . 2]" 2
1109 1 65 ARG HB2 1 68 SER QB . . 3.540 2.784 2.117 3.396 . 0 0 "[ . 1 . 2]" 2
1110 1 65 ARG HB3 1 65 ARG QG . . 2.420 2.253 2.165 2.416 . 0 0 "[ . 1 . 2]" 2
1111 1 65 ARG HB3 1 68 SER QB . . 4.350 3.840 3.480 4.204 . 0 0 "[ . 1 . 2]" 2
1112 1 65 ARG QG 1 66 PRO HD2 . . 2.980 2.457 2.212 3.232 0.252 19 0 "[ . 1 . 2]" 2
1113 1 65 ARG QG 1 66 PRO HD3 . . 4.470 3.327 3.082 4.100 . 0 0 "[ . 1 . 2]" 2
1114 1 68 SER H 1 68 SER QB . . 3.490 2.256 2.143 2.409 . 0 0 "[ . 1 . 2]" 2
1115 1 69 LYS QB 1 69 LYS QD . . 2.820 2.167 2.025 2.447 . 0 0 "[ . 1 . 2]" 2
1116 1 70 LYS HA 1 71 TRP QB . . 4.080 3.946 3.931 3.974 . 0 0 "[ . 1 . 2]" 2
1117 1 70 LYS QB 1 70 LYS QD . . 2.230 2.157 2.067 2.233 0.003 13 0 "[ . 1 . 2]" 2
1118 1 70 LYS QB 1 70 LYS QE . . 4.470 2.913 2.147 3.672 . 0 0 "[ . 1 . 2]" 2
1119 1 70 LYS QB 1 71 TRP H . . 3.410 2.747 2.469 3.041 . 0 0 "[ . 1 . 2]" 2
1120 1 71 TRP H 1 71 TRP QB . . 3.100 2.433 2.411 2.444 . 0 0 "[ . 1 . 2]" 2
1121 1 71 TRP QB 1 71 TRP HE3 . . 3.570 2.474 2.416 2.571 . 0 0 "[ . 1 . 2]" 2
1122 1 71 TRP QB 1 72 GLU H . . 3.790 3.430 3.350 3.535 . 0 0 "[ . 1 . 2]" 2
1123 1 73 CYS HB2 1 74 ASN QB . . 4.270 3.948 3.852 4.029 . 0 0 "[ . 1 . 2]" 2
1124 1 74 ASN H 1 74 ASN QB . . 3.130 2.213 2.144 2.256 . 0 0 "[ . 1 . 2]" 2
1125 1 74 ASN H 1 74 ASN QD . . 5.030 4.423 3.995 4.621 . 0 0 "[ . 1 . 2]" 2
1126 1 74 ASN HA 1 74 ASN QD . . 4.540 3.591 2.390 4.171 . 0 0 "[ . 1 . 2]" 2
1127 1 74 ASN QB 1 75 GLU H . . 4.310 2.287 2.053 2.557 . 0 0 "[ . 1 . 2]" 2
1128 1 77 LEU H 1 78 PRO QD . . 4.390 4.319 4.288 4.360 . 0 0 "[ . 1 . 2]" 2
1129 1 77 LEU HB2 1 78 PRO QD . . 4.160 3.555 3.494 3.642 . 0 0 "[ . 1 . 2]" 2
1130 1 77 LEU HB3 1 78 PRO QD . . 3.530 2.066 1.985 2.193 . 0 0 "[ . 1 . 2]" 2
1131 1 77 LEU MD2 1 78 PRO QD . . 3.590 2.016 1.898 2.281 . 0 0 "[ . 1 . 2]" 2
1132 1 78 PRO QD 1 79 ALA H . . 4.910 4.119 2.997 4.910 0.000 19 0 "[ . 1 . 2]" 2
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