NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506082 |
1wff   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wff
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 181
_Distance_constraint_stats_list.Viol_total 12.484
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0034
_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 28 CYS 0.181 0.013 2 0 "[ . 1 . 2]"
1 31 CYS 0.117 0.017 20 0 "[ . 1 . 2]"
1 43 CYS 0.027 0.005 4 0 "[ . 1 . 2]"
1 45 CYS 0.090 0.009 14 0 "[ . 1 . 2]"
1 50 CYS 0.039 0.008 20 0 "[ . 1 . 2]"
1 53 HIS 0.167 0.013 2 0 "[ . 1 . 2]"
1 59 HIS 0.044 0.006 14 0 "[ . 1 . 2]"
1 61 CYS 0.084 0.008 4 0 "[ . 1 . 2]"
2 1 ZN 0.334 0.017 20 0 "[ . 1 . 2]"
3 1 ZN 0.165 0.009 14 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 28 CYS SG 2 1 ZN ZN . 2.330 2.370 2.356 2.329 2.376 0.006 12 0 "[ . 1 . 2]" 1
2 1 31 CYS SG 2 1 ZN ZN . 2.330 2.370 2.329 2.321 2.346 0.009 2 0 "[ . 1 . 2]" 1
3 1 50 CYS SG 2 1 ZN ZN . 2.330 2.370 2.334 2.327 2.368 0.003 14 0 "[ . 1 . 2]" 1
4 1 53 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.328 2.317 2.355 0.013 2 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.259 3.237 3.299 0.013 2 0 "[ . 1 . 2]" 1
6 1 31 CYS CB 2 1 ZN ZN . 3.250 3.510 3.473 3.248 3.527 0.017 20 0 "[ . 1 . 2]" 1
7 1 50 CYS CB 2 1 ZN ZN . 3.250 3.510 3.466 3.328 3.518 0.008 20 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 31 CYS SG . 3.200 4.000 3.684 3.399 3.874 . 0 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 50 CYS SG . 3.200 4.000 3.939 3.772 4.002 0.002 12 0 "[ . 1 . 2]" 1
10 1 28 CYS SG 1 53 HIS ND1 . 3.200 4.000 3.999 3.965 4.013 0.013 2 0 "[ . 1 . 2]" 1
11 1 31 CYS SG 1 53 HIS ND1 . 3.200 4.000 3.836 3.691 3.993 . 0 0 "[ . 1 . 2]" 1
12 1 31 CYS SG 1 50 CYS SG . 3.200 4.000 3.947 3.808 4.004 0.004 2 0 "[ . 1 . 2]" 1
13 1 50 CYS SG 1 53 HIS ND1 . 3.200 4.000 3.419 3.202 3.735 . 0 0 "[ . 1 . 2]" 1
14 1 43 CYS SG 3 1 ZN ZN . 2.330 2.370 2.336 2.326 2.361 0.004 16 0 "[ . 1 . 2]" 1
15 1 45 CYS SG 3 1 ZN ZN . 2.330 2.370 2.330 2.321 2.343 0.009 14 0 "[ . 1 . 2]" 1
16 1 59 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.331 2.324 2.353 0.006 14 0 "[ . 1 . 2]" 1
17 1 61 CYS SG 3 1 ZN ZN . 2.330 2.370 2.340 2.327 2.372 0.003 4 0 "[ . 1 . 2]" 1
18 1 43 CYS CB 3 1 ZN ZN . 3.250 3.510 3.261 3.245 3.322 0.005 4 0 "[ . 1 . 2]" 1
19 1 45 CYS CB 3 1 ZN ZN . 3.250 3.510 3.280 3.244 3.445 0.006 18 0 "[ . 1 . 2]" 1
20 1 61 CYS CB 3 1 ZN ZN . 3.250 3.510 3.250 3.242 3.262 0.008 4 0 "[ . 1 . 2]" 1
21 1 43 CYS SG 1 45 CYS SG . 3.200 4.000 3.818 3.689 3.920 . 0 0 "[ . 1 . 2]" 1
22 1 43 CYS SG 1 61 CYS SG . 3.200 4.000 3.561 3.406 3.814 . 0 0 "[ . 1 . 2]" 1
23 1 43 CYS SG 1 59 HIS NE2 . 3.200 4.000 3.483 3.290 3.722 . 0 0 "[ . 1 . 2]" 1
24 1 45 CYS SG 1 59 HIS NE2 . 3.200 4.000 3.995 3.914 4.003 0.003 4 0 "[ . 1 . 2]" 1
25 1 45 CYS SG 1 61 CYS SG . 3.200 4.000 3.985 3.836 4.008 0.008 14 0 "[ . 1 . 2]" 1
26 1 59 HIS NE2 1 61 CYS SG . 3.200 4.000 3.856 3.513 3.972 . 0 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 818
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 134.217
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0176
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.147 0.081 13 0 "[ . 1 . 2]"
1 12 PRO 0.147 0.081 13 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.003 0.003 15 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.139 0.139 15 0 "[ . 1 . 2]"
1 18 LEU 0.139 0.139 15 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.059 0.059 18 0 "[ . 1 . 2]"
1 23 LYS 0.059 0.059 18 0 "[ . 1 . 2]"
1 24 ILE 0.121 0.046 3 0 "[ . 1 . 2]"
1 25 MET 0.075 0.022 2 0 "[ . 1 . 2]"
1 26 LYS 0.352 0.092 20 0 "[ . 1 . 2]"
1 27 HIS 0.202 0.048 11 0 "[ . 1 . 2]"
1 28 CYS 0.895 0.040 11 0 "[ . 1 . 2]"
1 29 PHE 0.080 0.015 18 0 "[ . 1 . 2]"
1 30 LEU 0.750 0.058 11 0 "[ . 1 . 2]"
1 31 CYS 0.250 0.046 12 0 "[ . 1 . 2]"
1 32 GLY 0.334 0.048 11 0 "[ . 1 . 2]"
1 33 LYS 0.274 0.059 20 0 "[ . 1 . 2]"
1 34 LYS 0.610 0.087 16 0 "[ . 1 . 2]"
1 35 THR 0.315 0.083 3 0 "[ . 1 . 2]"
1 36 GLY 0.025 0.025 19 0 "[ . 1 . 2]"
1 37 LEU 0.166 0.143 13 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.180 0.060 19 0 "[ . 1 . 2]"
1 40 SER 0.170 0.083 3 0 "[ . 1 . 2]"
1 41 PHE 0.325 0.043 4 0 "[ . 1 . 2]"
1 42 GLU 0.286 0.043 4 0 "[ . 1 . 2]"
1 43 CYS 0.178 0.035 18 0 "[ . 1 . 2]"
1 44 ARG 0.309 0.114 11 0 "[ . 1 . 2]"
1 45 CYS 0.264 0.046 4 0 "[ . 1 . 2]"
1 46 GLY 0.198 0.046 4 0 "[ . 1 . 2]"
1 47 ASN 0.247 0.034 6 0 "[ . 1 . 2]"
1 48 ASN 0.272 0.034 6 0 "[ . 1 . 2]"
1 49 PHE 1.049 0.058 11 0 "[ . 1 . 2]"
1 50 CYS 0.263 0.059 20 0 "[ . 1 . 2]"
1 51 ALA 0.274 0.035 9 0 "[ . 1 . 2]"
1 52 SER 0.299 0.055 4 0 "[ . 1 . 2]"
1 53 HIS 0.139 0.035 9 0 "[ . 1 . 2]"
1 54 ARG 0.640 0.055 4 0 "[ . 1 . 2]"
1 55 TYR 0.044 0.018 18 0 "[ . 1 . 2]"
1 56 ALA 0.093 0.024 11 0 "[ . 1 . 2]"
1 57 GLU 0.036 0.018 18 0 "[ . 1 . 2]"
1 58 ALA 0.032 0.018 4 0 "[ . 1 . 2]"
1 59 HIS 0.273 0.035 18 0 "[ . 1 . 2]"
1 60 GLY 0.127 0.033 19 0 "[ . 1 . 2]"
1 61 CYS 0.053 0.015 4 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.075 0.020 11 0 "[ . 1 . 2]"
1 64 ASP 0.038 0.015 11 0 "[ . 1 . 2]"
1 65 TYR 0.234 0.069 18 0 "[ . 1 . 2]"
1 66 LYS 0.182 0.069 18 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.001 0.001 3 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.027 0.014 15 0 "[ . 1 . 2]"
1 71 ARG 0.002 0.002 16 0 "[ . 1 . 2]"
1 72 TYR 0.034 0.028 2 0 "[ . 1 . 2]"
1 73 LEU 0.019 0.012 18 0 "[ . 1 . 2]"
1 74 GLU 0.053 0.037 13 0 "[ . 1 . 2]"
1 75 GLU 0.040 0.037 13 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 0.021 0.010 5 0 "[ . 1 . 2]"
1 79 VAL 0.021 0.010 5 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 CYS H 1 29 PHE H . . 4.790 4.629 4.595 4.645 . 0 0 "[ . 1 . 2]" 2
2 1 29 PHE H 1 49 PHE HA . . 3.720 2.453 2.248 2.642 . 0 0 "[ . 1 . 2]" 2
3 1 28 CYS HA 1 29 PHE H . . 3.020 2.263 2.208 2.311 . 0 0 "[ . 1 . 2]" 2
4 1 28 CYS HB3 1 29 PHE H . . 4.890 3.879 3.810 3.976 . 0 0 "[ . 1 . 2]" 2
5 1 29 PHE H 1 29 PHE HB2 . . 3.370 2.842 2.702 2.961 . 0 0 "[ . 1 . 2]" 2
6 1 29 PHE H 1 29 PHE HB3 . . 3.370 2.482 2.387 2.584 . 0 0 "[ . 1 . 2]" 2
7 1 29 PHE H 1 47 ASN HB3 . . 4.910 4.547 4.373 4.818 . 0 0 "[ . 1 . 2]" 2
8 1 29 PHE H 1 49 PHE H . . 5.080 4.708 4.528 4.857 . 0 0 "[ . 1 . 2]" 2
9 1 29 PHE H 1 50 CYS H . . 5.340 4.421 4.143 4.612 . 0 0 "[ . 1 . 2]" 2
10 1 29 PHE H 1 48 ASN H . . 4.890 4.721 4.530 4.849 . 0 0 "[ . 1 . 2]" 2
11 1 29 PHE H 1 29 PHE QD . . 4.450 4.214 4.142 4.255 . 0 0 "[ . 1 . 2]" 2
12 1 28 CYS HB2 1 29 PHE H . . 4.540 3.986 3.880 4.109 . 0 0 "[ . 1 . 2]" 2
13 1 29 PHE H 1 30 LEU QB . . 4.940 3.936 3.880 4.000 . 0 0 "[ . 1 . 2]" 2
14 1 43 CYS HA 1 44 ARG H . . 2.900 2.392 2.333 2.432 . 0 0 "[ . 1 . 2]" 2
15 1 43 CYS HB3 1 44 ARG H . . 4.210 3.544 3.328 3.652 . 0 0 "[ . 1 . 2]" 2
16 1 43 CYS HB2 1 44 ARG H . . 4.230 3.858 3.818 3.946 . 0 0 "[ . 1 . 2]" 2
17 1 44 ARG H 1 44 ARG HD2 . . 4.860 4.408 1.872 4.870 0.010 4 0 "[ . 1 . 2]" 2
18 1 44 ARG H 1 44 ARG HD3 . . 4.860 4.312 3.254 4.863 0.003 18 0 "[ . 1 . 2]" 2
19 1 44 ARG H 1 44 ARG HB2 . . 2.950 2.551 2.169 2.710 . 0 0 "[ . 1 . 2]" 2
20 1 44 ARG H 1 44 ARG HB3 . . 3.640 3.575 3.480 3.596 . 0 0 "[ . 1 . 2]" 2
21 1 43 CYS H 1 49 PHE H . . 5.270 4.884 4.577 5.128 . 0 0 "[ . 1 . 2]" 2
22 1 43 CYS H 1 49 PHE HD2 . . 4.940 4.416 4.078 4.831 . 0 0 "[ . 1 . 2]" 2
23 1 43 CYS H 1 49 PHE HE2 . . 5.250 4.884 4.487 5.217 . 0 0 "[ . 1 . 2]" 2
24 1 43 CYS H 1 48 ASN HA . . 4.270 4.042 3.642 4.261 . 0 0 "[ . 1 . 2]" 2
25 1 43 CYS H 1 43 CYS HB3 . . 3.260 2.596 2.495 2.771 . 0 0 "[ . 1 . 2]" 2
26 1 43 CYS H 1 43 CYS HB2 . . 3.340 2.823 2.708 2.982 . 0 0 "[ . 1 . 2]" 2
27 1 42 GLU QB 1 43 CYS H . . 3.730 3.378 2.798 3.758 0.028 2 0 "[ . 1 . 2]" 2
28 1 15 LYS HA 1 16 ALA H . . 3.250 2.276 2.141 2.519 . 0 0 "[ . 1 . 2]" 2
29 1 55 TYR HA 1 56 ALA H . . 3.190 2.275 2.161 2.403 . 0 0 "[ . 1 . 2]" 2
30 1 55 TYR HB3 1 56 ALA H . . 4.080 2.859 2.510 3.250 . 0 0 "[ . 1 . 2]" 2
31 1 56 ALA H 1 56 ALA MB . . 3.190 2.127 2.032 2.239 . 0 0 "[ . 1 . 2]" 2
32 1 56 ALA H 1 57 GLU H . . 4.260 2.921 2.649 3.154 . 0 0 "[ . 1 . 2]" 2
33 1 55 TYR QD 1 56 ALA H . . 4.570 4.334 4.036 4.544 . 0 0 "[ . 1 . 2]" 2
34 1 55 TYR H 1 56 ALA H . . 4.980 4.601 4.538 4.631 . 0 0 "[ . 1 . 2]" 2
35 1 55 TYR HB2 1 56 ALA H . . 4.420 3.661 3.329 3.998 . 0 0 "[ . 1 . 2]" 2
36 1 41 PHE QD 1 42 GLU H . . 4.340 3.657 3.190 4.083 . 0 0 "[ . 1 . 2]" 2
37 1 41 PHE HA 1 42 GLU H . . 2.820 2.410 2.286 2.542 . 0 0 "[ . 1 . 2]" 2
38 1 41 PHE HB3 1 42 GLU H . . 4.110 2.436 2.150 2.745 . 0 0 "[ . 1 . 2]" 2
39 1 41 PHE HB2 1 42 GLU H . . 4.340 3.619 3.371 3.808 . 0 0 "[ . 1 . 2]" 2
40 1 42 GLU H 1 42 GLU QB . . 2.880 2.552 2.290 2.891 0.011 19 0 "[ . 1 . 2]" 2
41 1 27 HIS HA 1 28 CYS H . . 3.010 2.249 2.176 2.413 . 0 0 "[ . 1 . 2]" 2
42 1 28 CYS H 1 34 LYS HA . . 4.470 4.104 3.788 4.492 0.022 3 0 "[ . 1 . 2]" 2
43 1 28 CYS H 1 28 CYS HB3 . . 3.240 2.681 2.601 2.779 . 0 0 "[ . 1 . 2]" 2
44 1 28 CYS H 1 28 CYS HB2 . . 3.300 2.446 2.394 2.492 . 0 0 "[ . 1 . 2]" 2
45 1 27 HIS HB2 1 28 CYS H . . 3.680 2.892 2.411 3.177 . 0 0 "[ . 1 . 2]" 2
46 1 27 HIS HB3 1 28 CYS H . . 3.940 3.849 3.647 3.949 0.009 3 0 "[ . 1 . 2]" 2
47 1 28 CYS H 1 33 LYS QG . . 4.820 4.560 4.174 4.827 0.007 7 0 "[ . 1 . 2]" 2
48 1 28 CYS H 1 35 THR MG . . 3.610 2.153 1.919 2.366 . 0 0 "[ . 1 . 2]" 2
49 1 14 VAL HA 1 15 LYS H . . 3.250 2.184 2.140 2.298 . 0 0 "[ . 1 . 2]" 2
50 1 15 LYS H 1 15 LYS QG . . 4.680 3.372 1.994 4.362 . 0 0 "[ . 1 . 2]" 2
51 1 61 CYS H 1 62 ASN H . . 4.960 4.628 4.572 4.650 . 0 0 "[ . 1 . 2]" 2
52 1 59 HIS HD2 1 62 ASN H . . 4.540 4.215 3.868 4.498 . 0 0 "[ . 1 . 2]" 2
53 1 61 CYS HA 1 62 ASN H . . 3.390 2.267 2.165 2.391 . 0 0 "[ . 1 . 2]" 2
54 1 62 ASN H 1 62 ASN HB2 . . 4.130 3.139 2.286 3.756 . 0 0 "[ . 1 . 2]" 2
55 1 62 ASN H 1 62 ASN HB3 . . 4.130 3.145 2.324 3.713 . 0 0 "[ . 1 . 2]" 2
56 1 61 CYS QB 1 62 ASN H . . 4.340 3.460 3.236 3.679 . 0 0 "[ . 1 . 2]" 2
57 1 25 MET H 1 25 MET HG3 . . 4.740 3.862 2.761 4.664 . 0 0 "[ . 1 . 2]" 2
58 1 24 ILE HA 1 25 MET H . . 3.200 2.186 2.140 2.733 . 0 0 "[ . 1 . 2]" 2
59 1 25 MET H 1 25 MET HG2 . . 4.740 3.464 2.077 4.687 . 0 0 "[ . 1 . 2]" 2
60 1 25 MET H 1 25 MET QB . . 3.670 2.620 2.187 3.200 . 0 0 "[ . 1 . 2]" 2
61 1 24 ILE HB 1 25 MET H . . 4.270 4.191 3.901 4.292 0.022 2 0 "[ . 1 . 2]" 2
62 1 24 ILE MG 1 25 MET H . . 4.220 2.590 1.917 4.032 . 0 0 "[ . 1 . 2]" 2
63 1 10 HIS HA 1 11 LEU H . . 3.410 2.305 2.140 2.593 . 0 0 "[ . 1 . 2]" 2
64 1 11 LEU H 1 11 LEU QB . . 3.570 2.716 2.328 3.178 . 0 0 "[ . 1 . 2]" 2
65 1 67 SER QB 1 68 ALA H . . 4.790 3.701 2.212 3.950 . 0 0 "[ . 1 . 2]" 2
66 1 33 LYS HA 1 34 LYS H . . 2.680 2.233 2.152 2.339 . 0 0 "[ . 1 . 2]" 2
67 1 33 LYS HB2 1 34 LYS H . . 4.510 3.973 3.713 4.170 . 0 0 "[ . 1 . 2]" 2
68 1 34 LYS H 1 34 LYS QB . . 2.780 2.480 2.149 2.785 0.005 7 0 "[ . 1 . 2]" 2
69 1 33 LYS QG 1 34 LYS H . . 3.540 2.364 2.035 2.705 . 0 0 "[ . 1 . 2]" 2
70 1 34 LYS H 1 34 LYS HG2 . . 4.010 2.796 2.051 3.571 . 0 0 "[ . 1 . 2]" 2
71 1 34 LYS H 1 34 LYS HG3 . . 4.010 2.796 1.889 4.038 0.028 19 0 "[ . 1 . 2]" 2
72 1 41 PHE H 1 41 PHE QD . . 3.400 3.088 2.445 3.400 0.000 10 0 "[ . 1 . 2]" 2
73 1 40 SER H 1 41 PHE H . . 4.580 4.492 4.337 4.585 0.005 7 0 "[ . 1 . 2]" 2
74 1 41 PHE H 1 50 CYS HA . . 4.670 4.495 4.180 4.675 0.005 17 0 "[ . 1 . 2]" 2
75 1 40 SER HA 1 41 PHE H . . 2.860 2.161 2.137 2.224 . 0 0 "[ . 1 . 2]" 2
76 1 35 THR HB 1 41 PHE H . . 4.510 4.189 3.740 4.505 . 0 0 "[ . 1 . 2]" 2
77 1 40 SER HB2 1 41 PHE H . . 4.430 3.526 3.023 4.329 . 0 0 "[ . 1 . 2]" 2
78 1 40 SER HB3 1 41 PHE H . . 4.430 4.163 2.963 4.436 0.006 5 0 "[ . 1 . 2]" 2
79 1 41 PHE H 1 41 PHE HB3 . . 3.890 3.778 3.639 3.890 . 0 0 "[ . 1 . 2]" 2
80 1 41 PHE H 1 41 PHE HB2 . . 3.360 2.649 2.420 2.840 . 0 0 "[ . 1 . 2]" 2
81 1 35 THR MG 1 41 PHE H . . 4.230 3.862 3.407 4.235 0.005 16 0 "[ . 1 . 2]" 2
82 1 41 PHE H 1 49 PHE HB2 . . 5.500 5.138 4.726 5.479 . 0 0 "[ . 1 . 2]" 2
83 1 75 GLU HA 1 76 ALA H . . 3.280 2.311 2.139 2.752 . 0 0 "[ . 1 . 2]" 2
84 1 75 GLU HB2 1 76 ALA H . . 4.780 4.038 2.200 4.603 . 0 0 "[ . 1 . 2]" 2
85 1 75 GLU HB3 1 76 ALA H . . 4.780 3.905 2.307 4.649 . 0 0 "[ . 1 . 2]" 2
86 1 76 ALA H 1 76 ALA MB . . 3.560 2.478 2.073 2.891 . 0 0 "[ . 1 . 2]" 2
87 1 41 PHE H 1 48 ASN HA . . 4.660 4.223 3.750 4.530 . 0 0 "[ . 1 . 2]" 2
88 1 63 TYR HB2 1 64 ASP H . . 4.930 4.080 3.784 4.453 . 0 0 "[ . 1 . 2]" 2
89 1 63 TYR HB3 1 64 ASP H . . 4.930 4.062 2.999 4.467 . 0 0 "[ . 1 . 2]" 2
90 1 64 ASP H 1 64 ASP HB2 . . 4.080 2.767 2.413 3.144 . 0 0 "[ . 1 . 2]" 2
91 1 64 ASP H 1 64 ASP HB3 . . 4.080 2.589 2.258 3.843 . 0 0 "[ . 1 . 2]" 2
92 1 63 TYR H 1 65 TYR QE . . 5.500 4.742 3.169 5.374 . 0 0 "[ . 1 . 2]" 2
93 1 61 CYS HA 1 63 TYR H . . 4.350 4.133 3.896 4.332 . 0 0 "[ . 1 . 2]" 2
94 1 63 TYR H 1 63 TYR HB3 . . 3.180 2.519 2.303 2.738 . 0 0 "[ . 1 . 2]" 2
95 1 33 LYS H 1 35 THR MG . . 4.860 4.456 4.170 4.780 . 0 0 "[ . 1 . 2]" 2
96 1 28 CYS H 1 33 LYS H . . 4.110 3.605 3.290 3.708 . 0 0 "[ . 1 . 2]" 2
97 1 28 CYS HB3 1 33 LYS H . . 3.270 1.892 1.852 1.950 . 0 0 "[ . 1 . 2]" 2
98 1 28 CYS HB2 1 33 LYS H . . 3.730 3.175 3.056 3.277 . 0 0 "[ . 1 . 2]" 2
99 1 33 LYS H 1 50 CYS HB3 . . 4.780 3.933 3.715 4.201 . 0 0 "[ . 1 . 2]" 2
100 1 27 HIS HB2 1 33 LYS H . . 4.500 4.273 3.903 4.536 0.036 3 0 "[ . 1 . 2]" 2
101 1 33 LYS H 1 33 LYS HB2 . . 3.220 2.724 2.379 2.976 . 0 0 "[ . 1 . 2]" 2
102 1 33 LYS H 1 33 LYS HB3 . . 3.220 2.404 2.299 2.679 . 0 0 "[ . 1 . 2]" 2
103 1 25 MET QB 1 26 LYS H . . 4.500 3.615 2.817 4.045 . 0 0 "[ . 1 . 2]" 2
104 1 63 TYR H 1 63 TYR QD . . 4.390 4.180 3.964 4.220 . 0 0 "[ . 1 . 2]" 2
105 1 45 CYS HB3 1 63 TYR H . . 3.920 2.923 2.571 3.895 . 0 0 "[ . 1 . 2]" 2
106 1 63 TYR H 1 63 TYR HB2 . . 3.180 2.622 2.388 3.129 . 0 0 "[ . 1 . 2]" 2
107 1 63 TYR H 1 64 ASP H . . 4.700 4.314 2.201 4.642 . 0 0 "[ . 1 . 2]" 2
108 1 45 CYS HA 1 63 TYR H . . 5.110 4.480 4.113 5.118 0.008 18 0 "[ . 1 . 2]" 2
109 1 23 LYS HA 1 24 ILE H . . 2.930 2.307 2.141 2.788 . 0 0 "[ . 1 . 2]" 2
110 1 24 ILE H 1 24 ILE HB . . 3.330 2.604 2.477 2.699 . 0 0 "[ . 1 . 2]" 2
111 1 24 ILE H 1 24 ILE HG12 . . 3.950 3.076 1.911 3.996 0.046 3 0 "[ . 1 . 2]" 2
112 1 24 ILE H 1 24 ILE HG13 . . 3.950 2.759 1.899 3.774 . 0 0 "[ . 1 . 2]" 2
113 1 24 ILE H 1 24 ILE MG . . 4.490 3.778 3.760 3.849 . 0 0 "[ . 1 . 2]" 2
114 1 24 ILE H 1 24 ILE MD . . 4.680 3.092 1.829 4.212 . 0 0 "[ . 1 . 2]" 2
115 1 73 LEU H 1 73 LEU HG . . 3.780 2.931 1.917 3.754 . 0 0 "[ . 1 . 2]" 2
116 1 65 TYR H 1 65 TYR QD . . 3.370 2.708 1.896 3.067 . 0 0 "[ . 1 . 2]" 2
117 1 64 ASP HA 1 65 TYR H . . 2.970 2.242 2.138 2.670 . 0 0 "[ . 1 . 2]" 2
118 1 65 TYR H 1 65 TYR HB2 . . 3.750 3.284 2.210 3.734 . 0 0 "[ . 1 . 2]" 2
119 1 65 TYR H 1 65 TYR HB3 . . 3.750 3.343 3.029 3.624 . 0 0 "[ . 1 . 2]" 2
120 1 64 ASP HB2 1 65 TYR H . . 4.610 4.448 4.153 4.622 0.012 18 0 "[ . 1 . 2]" 2
121 1 64 ASP HB3 1 65 TYR H . . 4.610 4.425 4.264 4.586 . 0 0 "[ . 1 . 2]" 2
122 1 65 TYR H 1 66 LYS QB . . 5.500 4.673 3.799 5.568 0.068 14 0 "[ . 1 . 2]" 2
123 1 63 TYR QD 1 65 TYR H . . 4.510 3.789 2.396 4.510 . 0 0 "[ . 1 . 2]" 2
124 1 17 PRO HA 1 18 LEU H . . 3.110 2.321 2.151 3.249 0.139 15 0 "[ . 1 . 2]" 2
125 1 74 GLU HA 1 75 GLU H . . 3.150 2.282 2.142 2.706 . 0 0 "[ . 1 . 2]" 2
126 1 74 GLU QG 1 75 GLU H . . 4.100 3.295 1.883 4.137 0.037 13 0 "[ . 1 . 2]" 2
127 1 73 LEU HA 1 74 GLU H . . 3.160 2.301 2.140 2.734 . 0 0 "[ . 1 . 2]" 2
128 1 74 GLU H 1 74 GLU QG . . 4.200 3.504 2.106 4.180 . 0 0 "[ . 1 . 2]" 2
129 1 74 GLU H 1 74 GLU HB2 . . 3.930 2.994 2.275 3.884 . 0 0 "[ . 1 . 2]" 2
130 1 74 GLU H 1 74 GLU HB3 . . 3.930 2.949 2.481 3.663 . 0 0 "[ . 1 . 2]" 2
131 1 49 PHE H 1 49 PHE HD2 . . 4.470 3.311 2.975 3.597 . 0 0 "[ . 1 . 2]" 2
132 1 41 PHE QD 1 49 PHE H . . 5.200 4.961 4.501 5.202 0.002 19 0 "[ . 1 . 2]" 2
133 1 49 PHE H 1 49 PHE HE2 . . 5.390 5.269 5.050 5.398 0.008 12 0 "[ . 1 . 2]" 2
134 1 40 SER HA 1 49 PHE H . . 5.240 4.914 4.548 5.274 0.034 3 0 "[ . 1 . 2]" 2
135 1 49 PHE H 1 49 PHE HB3 . . 3.950 3.784 3.734 3.831 . 0 0 "[ . 1 . 2]" 2
136 1 49 PHE H 1 49 PHE HB2 . . 3.540 2.653 2.572 2.731 . 0 0 "[ . 1 . 2]" 2
137 1 48 ASN HA 1 49 PHE H . . 2.920 2.148 2.139 2.169 . 0 0 "[ . 1 . 2]" 2
138 1 41 PHE HB2 1 49 PHE H . . 4.450 3.775 3.480 4.007 . 0 0 "[ . 1 . 2]" 2
139 1 55 TYR QD 1 58 ALA H . . 4.630 4.270 4.019 4.463 . 0 0 "[ . 1 . 2]" 2
140 1 58 ALA H 1 59 HIS H . . 3.080 2.854 2.736 2.917 . 0 0 "[ . 1 . 2]" 2
141 1 13 PRO HA 1 14 VAL H . . 2.810 2.364 2.155 2.602 . 0 0 "[ . 1 . 2]" 2
142 1 13 PRO HB2 1 14 VAL H . . 4.650 2.818 2.148 4.139 . 0 0 "[ . 1 . 2]" 2
143 1 14 VAL H 1 14 VAL HB . . 3.440 2.904 2.519 3.443 0.003 15 0 "[ . 1 . 2]" 2
144 1 13 PRO HB3 1 14 VAL H . . 4.650 3.585 3.239 4.450 . 0 0 "[ . 1 . 2]" 2
145 1 14 VAL H 1 14 VAL MG2 . . 4.150 3.254 2.498 4.013 . 0 0 "[ . 1 . 2]" 2
146 1 72 TYR H 1 72 TYR QD . . 4.310 3.191 1.957 4.338 0.028 2 0 "[ . 1 . 2]" 2
147 1 65 TYR HA 1 66 LYS H . . 3.290 2.642 2.155 3.359 0.069 18 0 "[ . 1 . 2]" 2
148 1 72 TYR H 1 72 TYR HB2 . . 3.840 3.040 2.214 3.774 . 0 0 "[ . 1 . 2]" 2
149 1 72 TYR H 1 72 TYR HB3 . . 3.840 2.895 2.285 3.685 . 0 0 "[ . 1 . 2]" 2
150 1 65 TYR QD 1 66 LYS H . . 4.840 3.955 2.913 4.727 . 0 0 "[ . 1 . 2]" 2
151 1 66 LYS H 1 66 LYS QB . . 3.170 2.415 2.193 2.906 . 0 0 "[ . 1 . 2]" 2
152 1 66 LYS H 1 66 LYS QG . . 4.160 3.505 2.016 4.191 0.031 20 0 "[ . 1 . 2]" 2
153 1 56 ALA HA 1 58 ALA H . . 4.800 4.316 4.003 4.449 . 0 0 "[ . 1 . 2]" 2
154 1 55 TYR HB3 1 58 ALA H . . 4.010 3.514 3.313 3.695 . 0 0 "[ . 1 . 2]" 2
155 1 57 GLU QG 1 58 ALA H . . 3.800 2.087 1.954 2.233 . 0 0 "[ . 1 . 2]" 2
156 1 57 GLU QB 1 58 ALA H . . 3.560 3.406 3.337 3.528 . 0 0 "[ . 1 . 2]" 2
157 1 58 ALA H 1 58 ALA MB . . 2.770 2.134 2.033 2.205 . 0 0 "[ . 1 . 2]" 2
158 1 56 ALA MB 1 58 ALA H . . 4.430 4.298 4.149 4.413 . 0 0 "[ . 1 . 2]" 2
159 1 78 PRO HA 1 79 VAL H . . 3.130 2.420 2.158 2.610 . 0 0 "[ . 1 . 2]" 2
160 1 78 PRO HD2 1 79 VAL H . . 5.500 5.393 5.058 5.510 0.010 5 0 "[ . 1 . 2]" 2
161 1 78 PRO HD3 1 79 VAL H . . 5.500 5.423 5.232 5.508 0.008 17 0 "[ . 1 . 2]" 2
162 1 79 VAL H 1 79 VAL HB . . 3.830 3.218 2.551 3.800 . 0 0 "[ . 1 . 2]" 2
163 1 79 VAL H 1 79 VAL QG . . 3.910 2.251 1.868 2.997 . 0 0 "[ . 1 . 2]" 2
164 1 41 PHE QD 1 51 ALA H . . 4.520 3.778 3.486 4.081 . 0 0 "[ . 1 . 2]" 2
165 1 50 CYS HA 1 51 ALA H . . 3.140 2.449 2.377 2.555 . 0 0 "[ . 1 . 2]" 2
166 1 50 CYS HB2 1 51 ALA H . . 3.100 2.339 2.122 2.494 . 0 0 "[ . 1 . 2]" 2
167 1 28 CYS HB2 1 51 ALA H . . 5.500 5.483 5.373 5.527 0.027 14 0 "[ . 1 . 2]" 2
168 1 50 CYS HB3 1 51 ALA H . . 3.780 3.699 3.576 3.794 0.014 1 0 "[ . 1 . 2]" 2
169 1 51 ALA H 1 51 ALA MB . . 2.860 2.147 2.024 2.234 . 0 0 "[ . 1 . 2]" 2
170 1 35 THR MG 1 51 ALA H . . 3.940 3.557 3.164 3.730 . 0 0 "[ . 1 . 2]" 2
171 1 8 ILE H 1 8 ILE HB . . 4.080 3.214 2.554 3.968 . 0 0 "[ . 1 . 2]" 2
172 1 8 ILE H 1 8 ILE HG12 . . 4.850 3.865 2.633 4.754 . 0 0 "[ . 1 . 2]" 2
173 1 8 ILE H 1 8 ILE HG13 . . 4.850 3.256 2.123 4.698 . 0 0 "[ . 1 . 2]" 2
174 1 59 HIS HD2 1 61 CYS H . . 3.580 3.490 3.018 3.579 . 0 0 "[ . 1 . 2]" 2
175 1 57 GLU HA 1 61 CYS H . . 3.740 3.250 2.993 3.524 . 0 0 "[ . 1 . 2]" 2
176 1 56 ALA HA 1 61 CYS H . . 3.680 3.530 3.315 3.695 0.015 4 0 "[ . 1 . 2]" 2
177 1 61 CYS H 1 61 CYS QB . . 2.780 2.207 2.181 2.220 . 0 0 "[ . 1 . 2]" 2
178 1 56 ALA MB 1 61 CYS H . . 3.740 3.258 3.061 3.549 . 0 0 "[ . 1 . 2]" 2
179 1 53 HIS HA 1 55 TYR H . . 4.590 3.414 3.211 3.605 . 0 0 "[ . 1 . 2]" 2
180 1 55 TYR H 1 55 TYR HB3 . . 3.660 3.599 3.570 3.627 . 0 0 "[ . 1 . 2]" 2
181 1 55 TYR H 1 55 TYR HB2 . . 3.100 2.719 2.628 2.770 . 0 0 "[ . 1 . 2]" 2
182 1 55 TYR H 1 58 ALA MB . . 3.480 2.779 2.604 2.986 . 0 0 "[ . 1 . 2]" 2
183 1 54 ARG HB2 1 55 TYR H . . 4.420 4.080 3.985 4.213 . 0 0 "[ . 1 . 2]" 2
184 1 54 ARG HB3 1 55 TYR H . . 4.190 3.916 3.795 4.035 . 0 0 "[ . 1 . 2]" 2
185 1 54 ARG HG2 1 55 TYR H . . 3.630 2.424 2.153 2.703 . 0 0 "[ . 1 . 2]" 2
186 1 54 ARG HG3 1 55 TYR H . . 3.590 2.983 2.812 3.362 . 0 0 "[ . 1 . 2]" 2
187 1 55 TYR H 1 58 ALA H . . 4.940 4.513 4.349 4.763 . 0 0 "[ . 1 . 2]" 2
188 1 29 PHE H 1 30 LEU H . . 3.730 2.167 2.100 2.258 . 0 0 "[ . 1 . 2]" 2
189 1 29 PHE QD 1 30 LEU H . . 4.450 4.091 3.794 4.417 . 0 0 "[ . 1 . 2]" 2
190 1 28 CYS HA 1 30 LEU H . . 4.310 3.924 3.751 4.070 . 0 0 "[ . 1 . 2]" 2
191 1 28 CYS HB3 1 30 LEU H . . 4.260 4.025 3.816 4.193 . 0 0 "[ . 1 . 2]" 2
192 1 29 PHE HB2 1 30 LEU H . . 4.320 4.109 3.973 4.243 . 0 0 "[ . 1 . 2]" 2
193 1 29 PHE HB3 1 30 LEU H . . 4.320 3.009 2.871 3.195 . 0 0 "[ . 1 . 2]" 2
194 1 30 LEU H 1 30 LEU QB . . 2.910 2.245 2.224 2.267 . 0 0 "[ . 1 . 2]" 2
195 1 30 LEU H 1 30 LEU MD1 . . 4.240 4.062 3.887 4.168 . 0 0 "[ . 1 . 2]" 2
196 1 30 LEU H 1 30 LEU MD2 . . 4.500 4.211 4.168 4.266 . 0 0 "[ . 1 . 2]" 2
197 1 76 ALA MB 1 77 ASN H . . 4.670 2.965 2.047 3.701 . 0 0 "[ . 1 . 2]" 2
198 1 51 ALA HA 1 54 ARG H . . 3.970 3.581 3.513 3.631 . 0 0 "[ . 1 . 2]" 2
199 1 49 PHE HB2 1 54 ARG H . . 4.390 4.197 4.029 4.349 . 0 0 "[ . 1 . 2]" 2
200 1 54 ARG H 1 54 ARG HD2 . . 4.640 4.528 4.419 4.668 0.028 17 0 "[ . 1 . 2]" 2
201 1 54 ARG H 1 54 ARG HD3 . . 4.640 3.830 3.647 4.106 . 0 0 "[ . 1 . 2]" 2
202 1 54 ARG H 1 54 ARG HG2 . . 3.300 2.405 2.279 2.509 . 0 0 "[ . 1 . 2]" 2
203 1 54 ARG H 1 58 ALA MB . . 4.340 3.853 3.668 4.023 . 0 0 "[ . 1 . 2]" 2
204 1 54 ARG H 1 54 ARG HB2 . . 3.590 3.580 3.563 3.595 0.005 12 0 "[ . 1 . 2]" 2
205 1 54 ARG H 1 54 ARG HB3 . . 3.310 2.394 2.334 2.460 . 0 0 "[ . 1 . 2]" 2
206 1 50 CYS H 1 53 HIS H . . 4.360 3.408 3.294 3.564 . 0 0 "[ . 1 . 2]" 2
207 1 53 HIS H 1 54 ARG H . . 3.010 2.467 2.342 2.557 . 0 0 "[ . 1 . 2]" 2
208 1 53 HIS H 1 55 TYR H . . 4.840 4.697 4.603 4.804 . 0 0 "[ . 1 . 2]" 2
209 1 53 HIS H 1 54 ARG HA . . 4.640 4.446 4.383 4.478 . 0 0 "[ . 1 . 2]" 2
210 1 50 CYS HB2 1 53 HIS H . . 4.640 3.819 3.673 3.937 . 0 0 "[ . 1 . 2]" 2
211 1 53 HIS H 1 53 HIS HB3 . . 3.770 3.752 3.733 3.774 0.004 1 0 "[ . 1 . 2]" 2
212 1 53 HIS H 1 53 HIS HB2 . . 3.250 2.645 2.591 2.700 . 0 0 "[ . 1 . 2]" 2
213 1 52 SER HB3 1 53 HIS H . . 3.630 2.808 2.717 2.910 . 0 0 "[ . 1 . 2]" 2
214 1 53 HIS H 1 58 ALA MB . . 4.460 4.360 4.206 4.478 0.018 4 0 "[ . 1 . 2]" 2
215 1 51 ALA MB 1 53 HIS H . . 4.630 4.596 4.492 4.665 0.035 9 0 "[ . 1 . 2]" 2
216 1 53 HIS H 1 54 ARG HB3 . . 4.650 4.104 4.039 4.164 . 0 0 "[ . 1 . 2]" 2
217 1 53 HIS H 1 54 ARG HG2 . . 4.790 4.706 4.549 4.788 . 0 0 "[ . 1 . 2]" 2
218 1 47 ASN H 1 48 ASN H . . 4.600 4.529 4.293 4.634 0.034 6 0 "[ . 1 . 2]" 2
219 1 47 ASN HA 1 48 ASN H . . 3.000 2.190 2.144 2.250 . 0 0 "[ . 1 . 2]" 2
220 1 47 ASN HB2 1 48 ASN H . . 4.340 4.168 3.999 4.344 0.004 16 0 "[ . 1 . 2]" 2
221 1 47 ASN HB3 1 48 ASN H . . 3.450 3.108 2.863 3.404 . 0 0 "[ . 1 . 2]" 2
222 1 45 CYS HA 1 47 ASN H . . 5.230 4.834 4.611 5.175 . 0 0 "[ . 1 . 2]" 2
223 1 28 CYS HB3 1 31 CYS H . . 3.590 3.450 3.282 3.601 0.011 18 0 "[ . 1 . 2]" 2
224 1 31 CYS H 1 31 CYS HB2 . . 3.840 3.645 3.616 3.662 . 0 0 "[ . 1 . 2]" 2
225 1 28 CYS HB2 1 31 CYS H . . 4.650 4.475 4.308 4.575 . 0 0 "[ . 1 . 2]" 2
226 1 31 CYS H 1 31 CYS HB3 . . 3.600 2.747 2.666 2.794 . 0 0 "[ . 1 . 2]" 2
227 1 30 LEU QB 1 31 CYS H . . 2.870 1.976 1.891 2.188 . 0 0 "[ . 1 . 2]" 2
228 1 30 LEU MD2 1 31 CYS H . . 4.130 3.610 3.407 3.754 . 0 0 "[ . 1 . 2]" 2
229 1 28 CYS H 1 35 THR H . . 4.530 3.786 2.805 4.450 . 0 0 "[ . 1 . 2]" 2
230 1 27 HIS HA 1 35 THR H . . 3.380 2.362 1.873 2.957 . 0 0 "[ . 1 . 2]" 2
231 1 34 LYS HA 1 35 THR H . . 2.760 2.214 2.140 2.579 . 0 0 "[ . 1 . 2]" 2
232 1 30 LEU HG 1 31 CYS H . . 3.680 3.251 2.984 3.485 . 0 0 "[ . 1 . 2]" 2
233 1 35 THR H 1 35 THR MG . . 3.430 2.940 1.950 3.417 . 0 0 "[ . 1 . 2]" 2
234 1 44 ARG H 1 45 CYS H . . 3.330 2.780 2.561 2.848 . 0 0 "[ . 1 . 2]" 2
235 1 43 CYS H 1 45 CYS H . . 5.030 4.754 4.505 4.969 . 0 0 "[ . 1 . 2]" 2
236 1 45 CYS H 1 46 GLY H . . 3.160 2.529 2.396 2.629 . 0 0 "[ . 1 . 2]" 2
237 1 45 CYS H 1 63 TYR QD . . 5.010 4.255 3.377 4.863 . 0 0 "[ . 1 . 2]" 2
238 1 43 CYS HA 1 45 CYS H . . 4.270 4.236 4.091 4.276 0.006 18 0 "[ . 1 . 2]" 2
239 1 45 CYS H 1 46 GLY HA2 . . 5.180 4.828 4.723 4.886 . 0 0 "[ . 1 . 2]" 2
240 1 45 CYS H 1 46 GLY HA3 . . 5.180 5.168 5.076 5.226 0.046 4 0 "[ . 1 . 2]" 2
241 1 43 CYS HB3 1 45 CYS H . . 3.340 2.981 2.865 3.147 . 0 0 "[ . 1 . 2]" 2
242 1 45 CYS H 1 45 CYS HB3 . . 3.470 2.640 2.501 2.759 . 0 0 "[ . 1 . 2]" 2
243 1 45 CYS H 1 63 TYR HB2 . . 4.590 3.863 3.249 4.244 . 0 0 "[ . 1 . 2]" 2
244 1 45 CYS H 1 63 TYR HB3 . . 4.590 3.770 3.401 4.599 0.009 18 0 "[ . 1 . 2]" 2
245 1 44 ARG HB2 1 45 CYS H . . 3.610 2.792 2.711 3.031 . 0 0 "[ . 1 . 2]" 2
246 1 44 ARG HB3 1 45 CYS H . . 4.180 3.757 3.326 4.016 . 0 0 "[ . 1 . 2]" 2
247 1 43 CYS H 1 47 ASN H . . 4.630 3.971 2.995 4.611 . 0 0 "[ . 1 . 2]" 2
248 1 46 GLY H 1 47 ASN H . . 3.210 2.416 1.958 2.798 . 0 0 "[ . 1 . 2]" 2
249 1 45 CYS H 1 47 ASN H . . 4.540 4.327 4.009 4.551 0.011 18 0 "[ . 1 . 2]" 2
250 1 43 CYS HB3 1 47 ASN H . . 4.030 3.299 2.483 3.880 . 0 0 "[ . 1 . 2]" 2
251 1 43 CYS HB2 1 47 ASN H . . 5.470 4.785 3.838 5.464 . 0 0 "[ . 1 . 2]" 2
252 1 47 ASN H 1 47 ASN HB2 . . 3.400 2.465 2.315 2.622 . 0 0 "[ . 1 . 2]" 2
253 1 47 ASN H 1 47 ASN HB3 . . 4.010 3.625 3.559 3.763 . 0 0 "[ . 1 . 2]" 2
254 1 39 THR MG 1 40 SER H . . 4.590 3.524 2.165 4.136 . 0 0 "[ . 1 . 2]" 2
255 1 40 SER H 1 40 SER HB2 . . 4.130 3.395 2.355 3.832 . 0 0 "[ . 1 . 2]" 2
256 1 40 SER H 1 40 SER HB3 . . 4.130 2.647 2.202 3.931 . 0 0 "[ . 1 . 2]" 2
257 1 45 CYS HB2 1 47 ASN HD21 . . 4.750 3.668 2.942 4.607 . 0 0 "[ . 1 . 2]" 2
258 1 45 CYS HB2 1 47 ASN HD22 . . 4.750 3.955 3.184 4.580 . 0 0 "[ . 1 . 2]" 2
259 1 47 ASN HB2 1 47 ASN HD22 . . 3.810 3.459 3.433 3.527 . 0 0 "[ . 1 . 2]" 2
260 1 27 HIS H 1 48 ASN HD21 . . 4.710 3.447 2.426 4.180 . 0 0 "[ . 1 . 2]" 2
261 1 26 LYS QD 1 27 HIS H . . 5.050 4.487 3.413 4.916 . 0 0 "[ . 1 . 2]" 2
262 1 66 LYS H 1 67 SER H . . 4.780 3.745 2.153 4.632 . 0 0 "[ . 1 . 2]" 2
263 1 66 LYS QB 1 67 SER H . . 4.260 3.073 2.160 3.909 . 0 0 "[ . 1 . 2]" 2
264 1 28 CYS H 1 50 CYS H . . 4.870 4.753 4.552 4.906 0.036 3 0 "[ . 1 . 2]" 2
265 1 50 CYS H 1 54 ARG H . . 4.910 4.679 4.482 4.852 . 0 0 "[ . 1 . 2]" 2
266 1 49 PHE HA 1 50 CYS H . . 3.110 2.469 2.406 2.532 . 0 0 "[ . 1 . 2]" 2
267 1 28 CYS HA 1 50 CYS H . . 3.920 3.571 3.293 3.739 . 0 0 "[ . 1 . 2]" 2
268 1 50 CYS H 1 50 CYS HB2 . . 3.660 3.612 3.597 3.634 . 0 0 "[ . 1 . 2]" 2
269 1 49 PHE HB3 1 50 CYS H . . 3.330 2.298 2.174 2.436 . 0 0 "[ . 1 . 2]" 2
270 1 28 CYS HB2 1 50 CYS H . . 3.420 2.498 2.284 2.679 . 0 0 "[ . 1 . 2]" 2
271 1 50 CYS H 1 50 CYS HB3 . . 3.450 2.725 2.625 2.813 . 0 0 "[ . 1 . 2]" 2
272 1 49 PHE HB2 1 50 CYS H . . 3.840 3.484 3.343 3.587 . 0 0 "[ . 1 . 2]" 2
273 1 30 LEU QB 1 50 CYS H . . 5.090 4.365 4.230 4.504 . 0 0 "[ . 1 . 2]" 2
274 1 35 THR MG 1 50 CYS H . . 3.840 3.715 3.278 3.859 0.019 20 0 "[ . 1 . 2]" 2
275 1 27 HIS H 1 48 ASN HD22 . . 4.710 3.211 1.802 4.609 . 0 0 "[ . 1 . 2]" 2
276 1 26 LYS HA 1 27 HIS H . . 2.990 2.304 2.140 2.462 . 0 0 "[ . 1 . 2]" 2
277 1 27 HIS H 1 27 HIS HB3 . . 3.960 3.587 3.391 3.723 . 0 0 "[ . 1 . 2]" 2
278 1 57 GLU H 1 58 ALA H . . 3.290 2.811 2.621 2.916 . 0 0 "[ . 1 . 2]" 2
279 1 55 TYR HA 1 57 GLU H . . 5.080 4.666 4.332 5.024 . 0 0 "[ . 1 . 2]" 2
280 1 55 TYR HB3 1 57 GLU H . . 4.030 3.677 3.403 3.996 . 0 0 "[ . 1 . 2]" 2
281 1 57 GLU H 1 61 CYS QB . . 4.920 4.112 3.933 4.377 . 0 0 "[ . 1 . 2]" 2
282 1 55 TYR HB2 1 57 GLU H . . 4.260 3.969 3.818 4.209 . 0 0 "[ . 1 . 2]" 2
283 1 57 GLU H 1 57 GLU QG . . 3.400 2.169 1.998 2.441 . 0 0 "[ . 1 . 2]" 2
284 1 57 GLU H 1 57 GLU QB . . 3.020 2.477 2.395 2.658 . 0 0 "[ . 1 . 2]" 2
285 1 57 GLU H 1 58 ALA MB . . 4.500 4.388 4.254 4.505 0.005 9 0 "[ . 1 . 2]" 2
286 1 56 ALA MB 1 57 GLU H . . 3.170 2.312 2.036 2.486 . 0 0 "[ . 1 . 2]" 2
287 1 28 CYS H 1 32 GLY H . . 4.450 4.438 4.273 4.484 0.034 10 0 "[ . 1 . 2]" 2
288 1 28 CYS HB3 1 32 GLY H . . 3.470 2.003 1.926 2.118 . 0 0 "[ . 1 . 2]" 2
289 1 31 CYS HB3 1 32 GLY H . . 4.360 3.812 3.790 3.847 . 0 0 "[ . 1 . 2]" 2
290 1 30 LEU QB 1 32 GLY H . . 4.620 4.107 4.001 4.329 . 0 0 "[ . 1 . 2]" 2
291 1 32 GLY H 1 33 LYS HB3 . . 4.940 4.135 3.950 4.419 . 0 0 "[ . 1 . 2]" 2
292 1 32 GLY H 1 33 LYS HB2 . . 4.940 4.411 4.035 4.677 . 0 0 "[ . 1 . 2]" 2
293 1 26 LYS HA 1 48 ASN HD21 . . 5.500 5.052 4.519 5.445 . 0 0 "[ . 1 . 2]" 2
294 1 28 CYS HA 1 48 ASN HD21 . . 4.840 3.161 2.243 3.996 . 0 0 "[ . 1 . 2]" 2
295 1 26 LYS QD 1 48 ASN HD21 . . 5.500 4.018 3.003 4.942 . 0 0 "[ . 1 . 2]" 2
296 1 35 THR MG 1 48 ASN HD21 . . 4.410 3.548 3.092 4.417 0.007 20 0 "[ . 1 . 2]" 2
297 1 26 LYS HA 1 48 ASN HD22 . . 5.500 4.793 3.676 5.506 0.006 4 0 "[ . 1 . 2]" 2
298 1 28 CYS HA 1 48 ASN HD22 . . 4.840 3.459 2.553 4.464 . 0 0 "[ . 1 . 2]" 2
299 1 26 LYS QD 1 48 ASN HD22 . . 5.500 4.025 2.608 4.799 . 0 0 "[ . 1 . 2]" 2
300 1 58 ALA HA 1 60 GLY H . . 4.760 4.133 4.007 4.239 . 0 0 "[ . 1 . 2]" 2
301 1 57 GLU HA 1 60 GLY H . . 3.970 3.292 3.213 3.397 . 0 0 "[ . 1 . 2]" 2
302 1 60 GLY H 1 61 CYS QB . . 5.020 4.913 4.830 4.976 . 0 0 "[ . 1 . 2]" 2
303 1 58 ALA MB 1 60 GLY H . . 4.720 4.440 4.259 4.558 . 0 0 "[ . 1 . 2]" 2
304 1 51 ALA H 1 52 SER H . . 3.590 2.730 2.662 2.787 . 0 0 "[ . 1 . 2]" 2
305 1 52 SER H 1 54 ARG H . . 4.040 3.794 3.629 3.931 . 0 0 "[ . 1 . 2]" 2
306 1 50 CYS HB2 1 52 SER H . . 4.030 2.797 2.687 2.905 . 0 0 "[ . 1 . 2]" 2
307 1 51 ALA MB 1 52 SER H . . 3.340 2.868 2.720 3.026 . 0 0 "[ . 1 . 2]" 2
308 1 50 CYS HA 1 52 SER H . . 4.730 4.157 3.962 4.419 . 0 0 "[ . 1 . 2]" 2
309 1 52 SER H 1 52 SER HB2 . . 3.490 2.495 2.324 2.678 . 0 0 "[ . 1 . 2]" 2
310 1 52 SER H 1 52 SER HB3 . . 3.200 2.681 2.524 2.839 . 0 0 "[ . 1 . 2]" 2
311 1 50 CYS HB3 1 52 SER H . . 4.600 4.223 4.104 4.372 . 0 0 "[ . 1 . 2]" 2
312 1 35 THR MG 1 52 SER H . . 5.500 5.325 4.956 5.511 0.011 3 0 "[ . 1 . 2]" 2
313 1 52 SER H 1 54 ARG HG2 . . 5.500 5.264 5.091 5.406 . 0 0 "[ . 1 . 2]" 2
314 1 57 GLU H 1 59 HIS H . . 4.720 4.410 4.344 4.542 . 0 0 "[ . 1 . 2]" 2
315 1 59 HIS H 1 59 HIS HD2 . . 4.690 4.248 3.983 4.403 . 0 0 "[ . 1 . 2]" 2
316 1 57 GLU HA 1 59 HIS H . . 4.350 4.081 3.949 4.333 . 0 0 "[ . 1 . 2]" 2
317 1 59 HIS H 1 60 GLY HA2 . . 5.050 4.503 4.461 4.559 . 0 0 "[ . 1 . 2]" 2
318 1 59 HIS H 1 59 HIS HB2 . . 4.060 3.770 3.734 3.798 . 0 0 "[ . 1 . 2]" 2
319 1 56 ALA HA 1 59 HIS H . . 4.390 3.711 3.567 3.857 . 0 0 "[ . 1 . 2]" 2
320 1 59 HIS H 1 61 CYS QB . . 4.950 4.456 4.234 4.668 . 0 0 "[ . 1 . 2]" 2
321 1 59 HIS H 1 59 HIS HB3 . . 4.060 3.006 2.821 3.107 . 0 0 "[ . 1 . 2]" 2
322 1 57 GLU QB 1 59 HIS H . . 5.390 4.992 4.878 5.137 . 0 0 "[ . 1 . 2]" 2
323 1 58 ALA MB 1 59 HIS H . . 3.340 2.622 2.529 2.716 . 0 0 "[ . 1 . 2]" 2
324 1 56 ALA MB 1 59 HIS H . . 4.730 4.617 4.511 4.718 . 0 0 "[ . 1 . 2]" 2
325 1 30 LEU MD2 1 59 HIS H . . 4.990 4.310 4.089 4.564 . 0 0 "[ . 1 . 2]" 2
326 1 43 CYS HB3 1 46 GLY H . . 4.110 2.630 2.508 2.732 . 0 0 "[ . 1 . 2]" 2
327 1 45 CYS HB3 1 46 GLY H . . 4.600 3.974 3.873 4.066 . 0 0 "[ . 1 . 2]" 2
328 1 44 ARG H 1 46 GLY H . . 4.740 4.231 4.135 4.294 . 0 0 "[ . 1 . 2]" 2
329 1 35 THR MG 1 36 GLY H . . 4.620 3.994 3.519 4.269 . 0 0 "[ . 1 . 2]" 2
330 1 35 THR HB 1 36 GLY H . . 4.200 3.541 1.926 4.225 0.025 19 0 "[ . 1 . 2]" 2
331 1 68 ALA MB 1 69 GLY H . . 4.650 2.949 2.319 3.692 . 0 0 "[ . 1 . 2]" 2
332 1 39 THR H 1 40 SER H . . 3.460 2.698 1.808 3.396 . 0 0 "[ . 1 . 2]" 2
333 1 38 ALA MB 1 39 THR H . . 4.010 2.567 1.986 3.702 . 0 0 "[ . 1 . 2]" 2
334 1 39 THR H 1 39 THR MG . . 3.930 3.550 2.173 3.932 0.002 4 0 "[ . 1 . 2]" 2
335 1 58 ALA MB 1 59 HIS HD1 . . 4.200 3.150 2.877 3.503 . 0 0 "[ . 1 . 2]" 2
336 1 56 ALA MB 1 59 HIS HD1 . . 5.410 5.062 4.825 5.239 . 0 0 "[ . 1 . 2]" 2
337 1 56 ALA HA 1 59 HIS HD1 . . 4.410 3.617 3.325 3.840 . 0 0 "[ . 1 . 2]" 2
338 1 43 CYS HB2 1 59 HIS HD1 . . 4.680 4.673 4.597 4.715 0.035 18 0 "[ . 1 . 2]" 2
339 1 54 ARG HA 1 59 HIS HD1 . . 4.420 4.313 3.859 4.433 0.013 19 0 "[ . 1 . 2]" 2
340 1 59 HIS HA 1 59 HIS HD1 . . 4.750 4.483 4.421 4.560 . 0 0 "[ . 1 . 2]" 2
341 1 59 HIS H 1 59 HIS HD1 . . 4.000 2.963 2.846 3.240 . 0 0 "[ . 1 . 2]" 2
342 1 43 CYS H 1 44 ARG H . . 4.760 4.540 4.497 4.566 . 0 0 "[ . 1 . 2]" 2
343 1 42 GLU H 1 43 CYS H . . 4.520 4.410 4.283 4.473 . 0 0 "[ . 1 . 2]" 2
344 1 41 PHE H 1 49 PHE H . . 3.650 3.426 3.136 3.660 0.010 19 0 "[ . 1 . 2]" 2
345 1 62 ASN H 1 63 TYR H . . 3.890 2.229 2.031 2.646 . 0 0 "[ . 1 . 2]" 2
346 1 32 GLY H 1 33 LYS H . . 3.310 1.997 1.884 2.151 . 0 0 "[ . 1 . 2]" 2
347 1 33 LYS H 1 34 LYS H . . 4.640 4.591 4.506 4.636 . 0 0 "[ . 1 . 2]" 2
348 1 60 GLY H 1 61 CYS H . . 3.520 3.163 3.053 3.285 . 0 0 "[ . 1 . 2]" 2
349 1 54 ARG H 1 55 TYR H . . 3.650 2.549 2.485 2.642 . 0 0 "[ . 1 . 2]" 2
350 1 52 SER H 1 53 HIS H . . 3.140 2.381 2.291 2.471 . 0 0 "[ . 1 . 2]" 2
351 1 59 HIS H 1 60 GLY H . . 2.800 2.679 2.599 2.749 . 0 0 "[ . 1 . 2]" 2
352 1 59 HIS H 1 61 CYS H . . 4.030 3.588 3.405 3.958 . 0 0 "[ . 1 . 2]" 2
353 1 30 LEU H 1 31 CYS H . . 3.090 2.853 2.687 2.968 . 0 0 "[ . 1 . 2]" 2
354 1 48 ASN H 1 48 ASN HB3 . . 3.790 2.470 2.246 2.804 . 0 0 "[ . 1 . 2]" 2
355 1 72 TYR HB3 1 73 LEU H . . 4.230 3.626 2.474 4.236 0.006 2 0 "[ . 1 . 2]" 2
356 1 72 TYR HB2 1 73 LEU H . . 4.230 3.400 2.294 4.217 . 0 0 "[ . 1 . 2]" 2
357 1 72 TYR QD 1 73 LEU H . . 4.730 3.462 2.063 4.585 . 0 0 "[ . 1 . 2]" 2
358 1 73 LEU H 1 74 GLU H . . 4.590 4.381 3.328 4.602 0.012 18 0 "[ . 1 . 2]" 2
359 1 59 HIS H 1 60 GLY HA3 . . 5.050 5.045 5.008 5.083 0.033 19 0 "[ . 1 . 2]" 2
360 1 27 HIS HB2 1 32 GLY HA3 . . 4.810 4.428 4.055 4.785 . 0 0 "[ . 1 . 2]" 2
361 1 27 HIS HB2 1 32 GLY HA2 . . 4.810 3.327 3.061 3.539 . 0 0 "[ . 1 . 2]" 2
362 1 8 ILE HA 1 8 ILE MD . . 4.250 3.639 2.078 4.146 . 0 0 "[ . 1 . 2]" 2
363 1 24 ILE HA 1 24 ILE MD . . 4.600 3.136 1.967 3.927 . 0 0 "[ . 1 . 2]" 2
364 1 68 ALA MB 1 69 GLY QA . . 4.730 3.728 3.440 4.203 . 0 0 "[ . 1 . 2]" 2
365 1 49 PHE HB3 1 54 ARG H . . 4.320 4.197 4.060 4.302 . 0 0 "[ . 1 . 2]" 2
366 1 49 PHE HB3 1 53 HIS HB3 . . 4.270 3.061 2.846 3.259 . 0 0 "[ . 1 . 2]" 2
367 1 28 CYS HB2 1 49 PHE HB2 . . 5.500 5.514 5.460 5.540 0.040 11 0 "[ . 1 . 2]" 2
368 1 49 PHE HB2 1 53 HIS HB3 . . 4.690 4.346 4.148 4.505 . 0 0 "[ . 1 . 2]" 2
369 1 41 PHE HB2 1 49 PHE HB2 . . 4.760 4.237 3.928 4.472 . 0 0 "[ . 1 . 2]" 2
370 1 81 GLY QA 1 82 PRO QD . . 3.690 1.941 1.850 2.037 . 0 0 "[ . 1 . 2]" 2
371 1 30 LEU QB 1 49 PHE HD2 . . 5.500 5.519 5.493 5.558 0.058 11 0 "[ . 1 . 2]" 2
372 1 30 LEU QB 1 59 HIS HB2 . . 4.340 3.122 2.812 3.410 . 0 0 "[ . 1 . 2]" 2
373 1 70 ARG HA 1 70 ARG QD . . 4.280 3.814 2.016 4.294 0.014 15 0 "[ . 1 . 2]" 2
374 1 44 ARG HD2 1 63 TYR QE . . 4.640 3.541 2.577 4.640 . 0 0 "[ . 1 . 2]" 2
375 1 44 ARG HB3 1 44 ARG HD2 . . 3.940 2.838 2.300 3.751 . 0 0 "[ . 1 . 2]" 2
376 1 44 ARG HA 1 44 ARG HD3 . . 4.350 3.269 1.996 4.417 0.067 9 0 "[ . 1 . 2]" 2
377 1 44 ARG HB3 1 44 ARG HD3 . . 3.940 2.644 2.116 3.631 . 0 0 "[ . 1 . 2]" 2
378 1 41 PHE QE 1 54 ARG HD2 . . 4.390 3.186 2.835 3.740 . 0 0 "[ . 1 . 2]" 2
379 1 54 ARG HB3 1 54 ARG HD2 . . 3.920 2.630 2.503 2.778 . 0 0 "[ . 1 . 2]" 2
380 1 54 ARG HA 1 54 ARG HD2 . . 5.140 4.624 4.559 4.733 . 0 0 "[ . 1 . 2]" 2
381 1 54 ARG HB2 1 54 ARG HD2 . . 3.820 2.462 2.317 2.563 . 0 0 "[ . 1 . 2]" 2
382 1 41 PHE QE 1 54 ARG HD3 . . 4.390 3.483 2.880 4.005 . 0 0 "[ . 1 . 2]" 2
383 1 54 ARG HA 1 54 ARG HD3 . . 5.140 5.000 4.856 5.068 . 0 0 "[ . 1 . 2]" 2
384 1 51 ALA HA 1 54 ARG HD3 . . 3.940 2.394 2.016 2.613 . 0 0 "[ . 1 . 2]" 2
385 1 48 ASN H 1 48 ASN HB2 . . 3.790 3.108 2.355 3.660 . 0 0 "[ . 1 . 2]" 2
386 1 26 LYS QD 1 48 ASN HB2 . . 4.440 3.651 2.138 4.264 . 0 0 "[ . 1 . 2]" 2
387 1 26 LYS QD 1 48 ASN HB3 . . 4.440 4.086 2.845 4.444 0.004 14 0 "[ . 1 . 2]" 2
388 1 33 LYS HB2 1 33 LYS QE . . 4.400 3.226 1.990 4.187 . 0 0 "[ . 1 . 2]" 2
389 1 33 LYS QE 1 33 LYS QG . . 3.330 2.308 2.110 2.716 . 0 0 "[ . 1 . 2]" 2
390 1 15 LYS QE 1 15 LYS QG . . 3.420 2.202 2.066 2.563 . 0 0 "[ . 1 . 2]" 2
391 1 26 LYS QE 1 26 LYS HG3 . . 3.730 2.577 2.192 3.342 . 0 0 "[ . 1 . 2]" 2
392 1 24 ILE MG 1 26 LYS QE . . 3.860 3.176 1.846 3.850 . 0 0 "[ . 1 . 2]" 2
393 1 47 ASN HB2 1 49 PHE HE2 . . 3.870 2.363 2.035 2.613 . 0 0 "[ . 1 . 2]" 2
394 1 47 ASN HB3 1 49 PHE HZ . . 4.180 2.948 2.441 3.308 . 0 0 "[ . 1 . 2]" 2
395 1 47 ASN HB3 1 49 PHE HE2 . . 4.560 3.436 2.979 3.968 . 0 0 "[ . 1 . 2]" 2
396 1 41 PHE HB3 1 42 GLU QB . . 4.970 4.686 4.510 4.980 0.010 3 0 "[ . 1 . 2]" 2
397 1 41 PHE HB3 1 54 ARG HB2 . . 4.090 2.821 2.536 3.102 . 0 0 "[ . 1 . 2]" 2
398 1 41 PHE HB3 1 54 ARG HB3 . . 4.460 4.245 3.897 4.465 0.005 12 0 "[ . 1 . 2]" 2
399 1 41 PHE HB3 1 54 ARG HG3 . . 5.110 4.614 4.208 4.964 . 0 0 "[ . 1 . 2]" 2
400 1 41 PHE HB2 1 54 ARG HB2 . . 4.040 2.303 1.995 2.586 . 0 0 "[ . 1 . 2]" 2
401 1 41 PHE HB2 1 54 ARG HB3 . . 4.130 3.196 2.894 3.457 . 0 0 "[ . 1 . 2]" 2
402 1 35 THR MG 1 41 PHE HB2 . . 5.500 5.371 4.687 5.518 0.018 4 0 "[ . 1 . 2]" 2
403 1 41 PHE HB2 1 42 GLU QB . . 5.500 5.498 5.425 5.543 0.043 4 0 "[ . 1 . 2]" 2
404 1 28 CYS HA 1 29 PHE HB2 . . 4.860 4.470 4.350 4.587 . 0 0 "[ . 1 . 2]" 2
405 1 29 PHE HB2 1 47 ASN HB3 . . 4.240 3.265 3.127 3.409 . 0 0 "[ . 1 . 2]" 2
406 1 29 PHE HB3 1 47 ASN HB3 . . 4.240 2.769 2.640 2.949 . 0 0 "[ . 1 . 2]" 2
407 1 44 ARG HB2 1 63 TYR HB3 . . 4.620 3.164 2.456 3.991 . 0 0 "[ . 1 . 2]" 2
408 1 45 CYS HB3 1 63 TYR HB2 . . 4.320 2.568 2.320 2.954 . 0 0 "[ . 1 . 2]" 2
409 1 44 ARG HB2 1 63 TYR HB2 . . 4.620 4.128 3.213 4.631 0.011 11 0 "[ . 1 . 2]" 2
410 1 24 ILE HB 1 24 ILE MD . . 3.320 2.596 2.088 3.230 . 0 0 "[ . 1 . 2]" 2
411 1 55 TYR HB2 1 58 ALA H . . 4.130 2.462 2.312 2.628 . 0 0 "[ . 1 . 2]" 2
412 1 55 TYR HB2 1 57 GLU QG . . 4.660 2.846 2.605 3.100 . 0 0 "[ . 1 . 2]" 2
413 1 55 TYR HB2 1 57 GLU QB . . 5.030 4.881 4.719 5.048 0.018 18 0 "[ . 1 . 2]" 2
414 1 35 THR HB 1 50 CYS HA . . 4.810 4.140 3.624 4.400 . 0 0 "[ . 1 . 2]" 2
415 1 57 GLU HA 1 57 GLU QG . . 3.430 3.357 3.334 3.437 0.007 14 0 "[ . 1 . 2]" 2
416 1 55 TYR HB3 1 57 GLU QG . . 4.530 2.876 2.506 3.242 . 0 0 "[ . 1 . 2]" 2
417 1 57 GLU QG 1 58 ALA HA . . 4.750 3.347 3.050 4.046 . 0 0 "[ . 1 . 2]" 2
418 1 26 LYS HB2 1 26 LYS QE . . 4.700 3.550 2.159 4.260 . 0 0 "[ . 1 . 2]" 2
419 1 26 LYS HB3 1 26 LYS QE . . 4.700 3.559 2.192 4.469 . 0 0 "[ . 1 . 2]" 2
420 1 63 TYR QD 1 65 TYR QD . . 4.360 2.584 1.994 3.905 . 0 0 "[ . 1 . 2]" 2
421 1 65 TYR HA 1 65 TYR QD . . 3.780 3.374 2.138 3.733 . 0 0 "[ . 1 . 2]" 2
422 1 56 ALA MB 1 65 TYR QD . . 4.440 3.831 3.498 4.094 . 0 0 "[ . 1 . 2]" 2
423 1 63 TYR QD 1 64 ASP H . . 4.670 3.187 2.213 3.945 . 0 0 "[ . 1 . 2]" 2
424 1 44 ARG HB2 1 63 TYR QD . . 4.150 2.718 2.060 3.769 . 0 0 "[ . 1 . 2]" 2
425 1 44 ARG HB3 1 63 TYR QD . . 4.640 2.464 2.039 3.224 . 0 0 "[ . 1 . 2]" 2
426 1 28 CYS HB3 1 33 LYS HB2 . . 4.530 4.204 3.650 4.536 0.006 12 0 "[ . 1 . 2]" 2
427 1 33 LYS HB3 1 34 LYS H . . 4.510 4.035 3.598 4.264 . 0 0 "[ . 1 . 2]" 2
428 1 33 LYS HB3 1 33 LYS QE . . 4.400 3.671 2.621 4.395 . 0 0 "[ . 1 . 2]" 2
429 1 55 TYR H 1 55 TYR QD . . 3.150 2.156 1.929 2.944 . 0 0 "[ . 1 . 2]" 2
430 1 55 TYR QD 1 58 ALA MB . . 3.810 2.457 2.044 2.696 . 0 0 "[ . 1 . 2]" 2
431 1 54 ARG HG2 1 55 TYR QD . . 4.460 3.067 2.681 3.313 . 0 0 "[ . 1 . 2]" 2
432 1 54 ARG HG3 1 55 TYR QD . . 4.350 3.553 2.768 3.825 . 0 0 "[ . 1 . 2]" 2
433 1 39 THR HA 1 41 PHE QD . . 4.820 4.455 4.026 4.785 . 0 0 "[ . 1 . 2]" 2
434 1 41 PHE QD 1 51 ALA MB . . 3.920 3.685 3.487 3.893 . 0 0 "[ . 1 . 2]" 2
435 1 35 THR MG 1 41 PHE QD . . 5.400 4.397 3.852 4.879 . 0 0 "[ . 1 . 2]" 2
436 1 41 PHE QD 1 54 ARG HG2 . . 5.500 4.723 4.167 5.153 . 0 0 "[ . 1 . 2]" 2
437 1 30 LEU QB 1 31 CYS HB3 . . 4.220 3.781 3.664 3.987 . 0 0 "[ . 1 . 2]" 2
438 1 30 LEU HG 1 31 CYS HB3 . . 4.710 3.694 3.450 3.943 . 0 0 "[ . 1 . 2]" 2
439 1 30 LEU MD1 1 31 CYS HB3 . . 5.350 5.121 4.912 5.315 . 0 0 "[ . 1 . 2]" 2
440 1 27 HIS HB3 1 35 THR H . . 4.610 3.276 2.656 3.860 . 0 0 "[ . 1 . 2]" 2
441 1 31 CYS HB2 1 32 GLY H . . 4.760 3.591 3.507 3.669 . 0 0 "[ . 1 . 2]" 2
442 1 31 CYS HB2 1 53 HIS HE1 . . 3.790 3.583 3.376 3.778 . 0 0 "[ . 1 . 2]" 2
443 1 30 LEU MD2 1 31 CYS HB2 . . 5.310 5.284 5.111 5.356 0.046 12 0 "[ . 1 . 2]" 2
444 1 34 LYS QB 1 35 THR H . . 3.970 3.249 2.712 3.912 . 0 0 "[ . 1 . 2]" 2
445 1 27 HIS HA 1 34 LYS QB . . 5.060 4.779 4.298 5.089 0.029 4 0 "[ . 1 . 2]" 2
446 1 34 LYS QB 1 34 LYS QE . . 4.000 2.995 1.955 3.749 . 0 0 "[ . 1 . 2]" 2
447 1 29 PHE QE 1 49 PHE HZ . . 5.120 4.673 3.917 5.089 . 0 0 "[ . 1 . 2]" 2
448 1 29 PHE HA 1 29 PHE QE . . 4.720 4.561 4.388 4.728 0.008 14 0 "[ . 1 . 2]" 2
449 1 29 PHE QD 1 49 PHE HZ . . 4.280 3.008 2.331 3.454 . 0 0 "[ . 1 . 2]" 2
450 1 30 LEU QB 1 53 HIS HB3 . . 4.410 3.158 3.033 3.348 . 0 0 "[ . 1 . 2]" 2
451 1 50 CYS H 1 53 HIS HB3 . . 4.570 4.285 4.088 4.477 . 0 0 "[ . 1 . 2]" 2
452 1 50 CYS H 1 53 HIS HB2 . . 4.460 2.614 2.435 2.811 . 0 0 "[ . 1 . 2]" 2
453 1 30 LEU MD1 1 53 HIS HB2 . . 5.500 5.278 5.076 5.501 0.001 12 0 "[ . 1 . 2]" 2
454 1 30 LEU QB 1 53 HIS HB2 . . 4.360 3.293 3.226 3.374 . 0 0 "[ . 1 . 2]" 2
455 1 53 HIS HB2 1 58 ALA MB . . 4.990 4.118 3.821 4.406 . 0 0 "[ . 1 . 2]" 2
456 1 53 HIS HB2 1 54 ARG H . . 5.190 3.966 3.900 4.023 . 0 0 "[ . 1 . 2]" 2
457 1 43 CYS HB3 1 49 PHE HD2 . . 4.540 3.626 3.402 4.074 . 0 0 "[ . 1 . 2]" 2
458 1 43 CYS HB2 1 49 PHE HD2 . . 4.160 2.672 2.439 2.956 . 0 0 "[ . 1 . 2]" 2
459 1 28 CYS HB3 1 50 CYS H . . 4.210 3.841 3.701 3.970 . 0 0 "[ . 1 . 2]" 2
460 1 28 CYS HB3 1 33 LYS HB3 . . 4.530 3.172 2.806 3.368 . 0 0 "[ . 1 . 2]" 2
461 1 28 CYS HB3 1 33 LYS QG . . 4.990 4.823 4.408 4.999 0.009 7 0 "[ . 1 . 2]" 2
462 1 28 CYS HB3 1 35 THR MG . . 4.110 3.817 3.494 4.082 . 0 0 "[ . 1 . 2]" 2
463 1 43 CYS HB2 1 45 CYS H . . 4.620 4.361 4.218 4.484 . 0 0 "[ . 1 . 2]" 2
464 1 28 CYS HB2 1 32 GLY H . . 4.010 3.669 3.587 3.757 . 0 0 "[ . 1 . 2]" 2
465 1 28 CYS HB2 1 50 CYS HB3 . . 3.640 2.233 2.076 2.392 . 0 0 "[ . 1 . 2]" 2
466 1 28 CYS HB2 1 33 LYS QG . . 4.870 4.582 3.994 4.881 0.011 12 0 "[ . 1 . 2]" 2
467 1 28 CYS HB2 1 50 CYS HB2 . . 4.070 3.943 3.791 4.075 0.005 20 0 "[ . 1 . 2]" 2
468 1 33 LYS QD 1 50 CYS HB2 . . 4.060 2.936 2.086 4.119 0.059 20 0 "[ . 1 . 2]" 2
469 1 33 LYS QD 1 50 CYS HB3 . . 4.210 3.263 2.503 4.175 . 0 0 "[ . 1 . 2]" 2
470 1 33 LYS QG 1 50 CYS HB3 . . 4.480 3.525 2.488 4.087 . 0 0 "[ . 1 . 2]" 2
471 1 41 PHE QE 1 51 ALA H . . 4.600 3.447 2.433 4.004 . 0 0 "[ . 1 . 2]" 2
472 1 39 THR MG 1 41 PHE QE . . 4.570 3.313 2.104 4.364 . 0 0 "[ . 1 . 2]" 2
473 1 45 CYS H 1 45 CYS HB2 . . 4.090 3.599 3.575 3.617 . 0 0 "[ . 1 . 2]" 2
474 1 45 CYS HB2 1 63 TYR QD . . 5.500 4.996 4.358 5.481 . 0 0 "[ . 1 . 2]" 2
475 1 45 CYS HB3 1 63 TYR QD . . 4.740 4.284 3.625 4.725 . 0 0 "[ . 1 . 2]" 2
476 1 45 CYS HB3 1 63 TYR HB3 . . 4.320 3.029 2.271 4.046 . 0 0 "[ . 1 . 2]" 2
477 1 26 LYS QD 1 40 SER HB2 . . 4.210 3.155 2.185 4.221 0.011 3 0 "[ . 1 . 2]" 2
478 1 35 THR MG 1 40 SER HB2 . . 4.830 4.313 3.668 4.913 0.083 3 0 "[ . 1 . 2]" 2
479 1 26 LYS QD 1 40 SER HB3 . . 4.210 3.651 1.986 4.223 0.013 4 0 "[ . 1 . 2]" 2
480 1 35 THR MG 1 40 SER HB3 . . 4.830 4.112 3.749 4.837 0.007 11 0 "[ . 1 . 2]" 2
481 1 61 CYS QB 1 65 TYR QE . . 4.520 2.088 1.977 2.453 . 0 0 "[ . 1 . 2]" 2
482 1 56 ALA MB 1 61 CYS HA . . 4.670 4.194 4.060 4.507 . 0 0 "[ . 1 . 2]" 2
483 1 66 LYS HA 1 67 SER QB . . 5.470 4.635 4.055 5.452 . 0 0 "[ . 1 . 2]" 2
484 1 59 HIS HD2 1 61 CYS HA . . 3.200 2.337 2.058 2.479 . 0 0 "[ . 1 . 2]" 2
485 1 59 HIS HB2 1 60 GLY H . . 4.700 4.492 4.471 4.520 . 0 0 "[ . 1 . 2]" 2
486 1 30 LEU MD2 1 59 HIS HB2 . . 4.200 3.073 2.134 3.463 . 0 0 "[ . 1 . 2]" 2
487 1 59 HIS HB3 1 60 GLY H . . 4.700 4.600 4.531 4.635 . 0 0 "[ . 1 . 2]" 2
488 1 30 LEU QB 1 59 HIS HB3 . . 4.340 3.024 2.770 3.352 . 0 0 "[ . 1 . 2]" 2
489 1 30 LEU QB 1 49 PHE HZ . . 4.840 4.359 4.147 4.531 . 0 0 "[ . 1 . 2]" 2
490 1 47 ASN HB2 1 49 PHE HZ . . 3.930 2.732 2.189 3.146 . 0 0 "[ . 1 . 2]" 2
491 1 33 LYS H 1 33 LYS QD . . 4.720 4.455 4.263 4.626 . 0 0 "[ . 1 . 2]" 2
492 1 33 LYS HA 1 33 LYS QD . . 4.740 3.872 2.524 4.292 . 0 0 "[ . 1 . 2]" 2
493 1 33 LYS QD 1 35 THR MG . . 4.580 4.096 3.397 4.606 0.026 20 0 "[ . 1 . 2]" 2
494 1 41 PHE QD 1 54 ARG HB2 . . 3.760 2.878 2.326 3.349 . 0 0 "[ . 1 . 2]" 2
495 1 51 ALA HA 1 54 ARG HB2 . . 4.480 3.704 3.620 3.767 . 0 0 "[ . 1 . 2]" 2
496 1 49 PHE HB3 1 54 ARG HB2 . . 5.500 5.512 5.482 5.542 0.042 3 0 "[ . 1 . 2]" 2
497 1 54 ARG HB2 1 54 ARG HD3 . . 3.820 3.432 3.305 3.534 . 0 0 "[ . 1 . 2]" 2
498 1 49 PHE HB2 1 54 ARG HB2 . . 4.470 4.317 4.190 4.384 . 0 0 "[ . 1 . 2]" 2
499 1 54 ARG HB3 1 54 ARG HD3 . . 3.920 2.689 2.486 2.783 . 0 0 "[ . 1 . 2]" 2
500 1 49 PHE HB3 1 54 ARG HB3 . . 5.160 4.978 4.913 5.032 . 0 0 "[ . 1 . 2]" 2
501 1 41 PHE QD 1 54 ARG HB3 . . 3.870 2.568 2.037 3.269 . 0 0 "[ . 1 . 2]" 2
502 1 49 PHE HB2 1 54 ARG HB3 . . 4.540 4.316 4.190 4.422 . 0 0 "[ . 1 . 2]" 2
503 1 52 SER HB2 1 53 HIS H . . 4.550 3.843 3.676 3.968 . 0 0 "[ . 1 . 2]" 2
504 1 52 SER HB3 1 54 ARG H . . 4.880 4.889 4.840 4.935 0.055 4 0 "[ . 1 . 2]" 2
505 1 34 LYS H 1 34 LYS QD . . 4.600 3.781 1.844 4.348 . 0 0 "[ . 1 . 2]" 2
506 1 34 LYS HA 1 34 LYS QD . . 4.500 3.606 2.056 4.396 . 0 0 "[ . 1 . 2]" 2
507 1 24 ILE MG 1 26 LYS QD . . 4.820 3.754 2.600 4.821 0.001 14 0 "[ . 1 . 2]" 2
508 1 26 LYS HA 1 26 LYS QD . . 4.490 3.983 3.698 4.441 . 0 0 "[ . 1 . 2]" 2
509 1 66 LYS HA 1 66 LYS QD . . 4.560 3.239 1.990 4.346 . 0 0 "[ . 1 . 2]" 2
510 1 20 THR HA 1 20 THR MG . . 3.520 2.354 2.209 3.203 . 0 0 "[ . 1 . 2]" 2
511 1 8 ILE HA 1 8 ILE MG . . 3.670 2.467 2.202 3.201 . 0 0 "[ . 1 . 2]" 2
512 1 52 SER HA 1 55 TYR QE . . 4.470 3.333 2.818 3.802 . 0 0 "[ . 1 . 2]" 2
513 1 51 ALA MB 1 52 SER HA . . 4.160 3.876 3.766 3.942 . 0 0 "[ . 1 . 2]" 2
514 1 29 PHE HA 1 47 ASN HB3 . . 5.500 5.490 5.447 5.515 0.015 18 0 "[ . 1 . 2]" 2
515 1 30 LEU H 1 30 LEU HG . . 4.500 4.480 4.390 4.531 0.031 11 0 "[ . 1 . 2]" 2
516 1 30 LEU HG 1 53 HIS HB3 . . 5.500 4.849 4.630 5.039 . 0 0 "[ . 1 . 2]" 2
517 1 24 ILE HA 1 25 MET QB . . 4.610 4.268 4.034 4.595 . 0 0 "[ . 1 . 2]" 2
518 1 24 ILE HA 1 24 ILE HG12 . . 3.840 2.942 2.448 3.542 . 0 0 "[ . 1 . 2]" 2
519 1 24 ILE HA 1 24 ILE HG13 . . 3.840 3.069 2.311 3.803 . 0 0 "[ . 1 . 2]" 2
520 1 24 ILE HA 1 24 ILE MG . . 3.070 2.357 2.201 2.470 . 0 0 "[ . 1 . 2]" 2
521 1 29 PHE HA 1 29 PHE QD . . 3.440 2.566 2.283 2.905 . 0 0 "[ . 1 . 2]" 2
522 1 78 PRO HG2 1 79 VAL HA . . 5.280 4.917 4.540 5.249 . 0 0 "[ . 1 . 2]" 2
523 1 39 THR HA 1 41 PHE QE . . 3.610 3.161 2.188 3.565 . 0 0 "[ . 1 . 2]" 2
524 1 39 THR HA 1 39 THR MG . . 3.130 2.419 2.120 3.190 0.060 19 0 "[ . 1 . 2]" 2
525 1 34 LYS QB 1 35 THR HA . . 4.670 4.351 4.081 4.634 . 0 0 "[ . 1 . 2]" 2
526 1 38 ALA MB 1 39 THR HA . . 4.330 3.798 3.551 4.203 . 0 0 "[ . 1 . 2]" 2
527 1 39 THR HA 1 51 ALA MB . . 4.570 3.609 2.475 4.310 . 0 0 "[ . 1 . 2]" 2
528 1 34 LYS QD 1 35 THR HA . . 5.360 4.677 3.138 5.373 0.013 20 0 "[ . 1 . 2]" 2
529 1 44 ARG HA 1 44 ARG HG2 . . 3.980 2.740 2.446 3.496 . 0 0 "[ . 1 . 2]" 2
530 1 73 LEU HA 1 73 LEU HG . . 4.150 3.113 2.296 3.757 . 0 0 "[ . 1 . 2]" 2
531 1 44 ARG HA 1 44 ARG HG3 . . 3.980 3.564 2.236 3.850 . 0 0 "[ . 1 . 2]" 2
532 1 35 THR HA 1 35 THR MG . . 3.160 2.254 2.090 2.435 . 0 0 "[ . 1 . 2]" 2
533 1 63 TYR HA 1 63 TYR QD . . 3.510 2.822 2.353 3.251 . 0 0 "[ . 1 . 2]" 2
534 1 63 TYR HA 1 64 ASP HB2 . . 4.810 4.566 4.230 4.789 . 0 0 "[ . 1 . 2]" 2
535 1 63 TYR HA 1 64 ASP HB3 . . 4.810 4.582 4.354 4.751 . 0 0 "[ . 1 . 2]" 2
536 1 63 TYR QE 1 65 TYR HA . . 3.630 2.843 2.009 3.521 . 0 0 "[ . 1 . 2]" 2
537 1 65 TYR HA 1 66 LYS QB . . 5.370 4.605 3.875 5.066 . 0 0 "[ . 1 . 2]" 2
538 1 65 TYR HA 1 68 ALA MB . . 4.450 3.345 2.454 4.122 . 0 0 "[ . 1 . 2]" 2
539 1 28 CYS HA 1 49 PHE HB3 . . 4.640 4.425 4.310 4.610 . 0 0 "[ . 1 . 2]" 2
540 1 28 CYS HA 1 50 CYS HB3 . . 4.810 4.528 4.290 4.714 . 0 0 "[ . 1 . 2]" 2
541 1 28 CYS HA 1 35 THR MG . . 4.290 3.315 2.678 3.662 . 0 0 "[ . 1 . 2]" 2
542 1 28 CYS HA 1 29 PHE HB3 . . 4.860 4.626 4.504 4.760 . 0 0 "[ . 1 . 2]" 2
543 1 45 CYS HA 1 63 TYR QD . . 3.820 3.343 2.214 3.840 0.020 11 0 "[ . 1 . 2]" 2
544 1 44 ARG HA 1 46 GLY H . . 4.430 4.371 4.229 4.428 . 0 0 "[ . 1 . 2]" 2
545 1 44 ARG HA 1 44 ARG HD2 . . 4.350 3.858 2.274 4.372 0.022 10 0 "[ . 1 . 2]" 2
546 1 49 PHE H 1 54 ARG HA . . 4.430 3.922 3.763 4.123 . 0 0 "[ . 1 . 2]" 2
547 1 49 PHE HD2 1 54 ARG HA . . 4.170 3.588 3.246 3.826 . 0 0 "[ . 1 . 2]" 2
548 1 49 PHE HB3 1 54 ARG HA . . 3.520 3.310 3.269 3.373 . 0 0 "[ . 1 . 2]" 2
549 1 41 PHE HB2 1 54 ARG HA . . 4.490 3.238 3.028 3.410 . 0 0 "[ . 1 . 2]" 2
550 1 49 PHE HB2 1 54 ARG HA . . 3.330 2.140 2.042 2.232 . 0 0 "[ . 1 . 2]" 2
551 1 41 PHE HB3 1 54 ARG HA . . 4.630 4.353 4.013 4.623 . 0 0 "[ . 1 . 2]" 2
552 1 26 LYS HA 1 26 LYS HG2 . . 4.140 2.783 2.203 4.148 0.008 20 0 "[ . 1 . 2]" 2
553 1 26 LYS QE 1 26 LYS HG2 . . 3.730 2.669 2.176 3.476 . 0 0 "[ . 1 . 2]" 2
554 1 37 LEU HA 1 37 LEU HG . . 3.460 2.623 2.245 3.603 0.143 13 0 "[ . 1 . 2]" 2
555 1 37 LEU HA 1 37 LEU MD1 . . 3.900 2.906 1.900 3.883 . 0 0 "[ . 1 . 2]" 2
556 1 49 PHE HA 1 54 ARG HA . . 5.100 4.896 4.822 5.026 . 0 0 "[ . 1 . 2]" 2
557 1 34 LYS HA 1 34 LYS HG2 . . 4.110 3.585 2.365 4.197 0.087 16 0 "[ . 1 . 2]" 2
558 1 34 LYS QE 1 34 LYS HG2 . . 3.910 2.564 2.087 3.419 . 0 0 "[ . 1 . 2]" 2
559 1 40 SER HA 1 50 CYS HA . . 4.810 4.096 3.464 4.644 . 0 0 "[ . 1 . 2]" 2
560 1 33 LYS H 1 33 LYS QG . . 4.090 3.945 3.907 3.995 . 0 0 "[ . 1 . 2]" 2
561 1 34 LYS QE 1 34 LYS HG3 . . 3.910 2.804 2.108 3.527 . 0 0 "[ . 1 . 2]" 2
562 1 35 THR HB 1 40 SER HA . . 4.460 2.236 1.993 2.644 . 0 0 "[ . 1 . 2]" 2
563 1 35 THR MG 1 40 SER HA . . 4.310 2.792 2.375 3.229 . 0 0 "[ . 1 . 2]" 2
564 1 37 LEU HA 1 37 LEU MD2 . . 3.900 3.404 2.135 3.912 0.012 20 0 "[ . 1 . 2]" 2
565 1 41 PHE HB2 1 54 ARG HG2 . . 5.500 5.221 4.926 5.505 0.005 16 0 "[ . 1 . 2]" 2
566 1 30 LEU MD1 1 59 HIS HB2 . . 3.880 2.374 1.979 3.011 . 0 0 "[ . 1 . 2]" 2
567 1 30 LEU MD1 1 59 HIS HB3 . . 3.880 3.082 2.589 3.683 . 0 0 "[ . 1 . 2]" 2
568 1 30 LEU QB 1 30 LEU MD1 . . 3.100 2.247 2.101 2.318 . 0 0 "[ . 1 . 2]" 2
569 1 30 LEU MD2 1 53 HIS HE1 . . 4.480 2.947 2.702 3.381 . 0 0 "[ . 1 . 2]" 2
570 1 30 LEU MD2 1 53 HIS HD2 . . 3.980 3.504 3.265 3.826 . 0 0 "[ . 1 . 2]" 2
571 1 30 LEU HA 1 30 LEU MD2 . . 4.090 3.895 3.871 3.926 . 0 0 "[ . 1 . 2]" 2
572 1 30 LEU MD2 1 53 HIS HB3 . . 3.630 2.083 1.965 2.352 . 0 0 "[ . 1 . 2]" 2
573 1 30 LEU MD2 1 53 HIS HB2 . . 4.350 3.068 2.817 3.269 . 0 0 "[ . 1 . 2]" 2
574 1 30 LEU MD2 1 31 CYS HB3 . . 4.130 3.771 3.577 3.884 . 0 0 "[ . 1 . 2]" 2
575 1 30 LEU MD2 1 59 HIS HB3 . . 4.200 2.405 2.039 2.811 . 0 0 "[ . 1 . 2]" 2
576 1 30 LEU QB 1 30 LEU MD2 . . 3.050 2.063 1.998 2.093 . 0 0 "[ . 1 . 2]" 2
577 1 54 ARG H 1 54 ARG HG3 . . 3.790 3.697 3.549 3.813 0.023 7 0 "[ . 1 . 2]" 2
578 1 51 ALA HA 1 54 ARG HG3 . . 4.640 4.548 4.408 4.644 0.004 5 0 "[ . 1 . 2]" 2
579 1 49 PHE HA 1 49 PHE HD2 . . 4.590 4.321 4.128 4.502 . 0 0 "[ . 1 . 2]" 2
580 1 49 PHE HA 1 49 PHE HD1 . . 4.580 2.596 2.345 2.841 . 0 0 "[ . 1 . 2]" 2
581 1 28 CYS HA 1 49 PHE HA . . 3.470 2.046 1.985 2.205 . 0 0 "[ . 1 . 2]" 2
582 1 28 CYS HB2 1 49 PHE HA . . 4.260 3.085 2.987 3.190 . 0 0 "[ . 1 . 2]" 2
583 1 35 THR MG 1 49 PHE HA . . 4.630 4.025 3.416 4.365 . 0 0 "[ . 1 . 2]" 2
584 1 50 CYS HA 1 51 ALA MB . . 4.260 4.187 4.115 4.251 . 0 0 "[ . 1 . 2]" 2
585 1 41 PHE HA 1 42 GLU QB . . 4.370 4.022 3.914 4.131 . 0 0 "[ . 1 . 2]" 2
586 1 41 PHE HA 1 41 PHE QD . . 3.890 2.721 2.366 3.203 . 0 0 "[ . 1 . 2]" 2
587 1 55 TYR HA 1 58 ALA H . . 4.800 4.613 4.435 4.802 0.002 11 0 "[ . 1 . 2]" 2
588 1 55 TYR HA 1 55 TYR QD . . 3.400 3.022 2.490 3.144 . 0 0 "[ . 1 . 2]" 2
589 1 55 TYR HA 1 55 TYR QE . . 5.080 4.852 4.687 4.934 . 0 0 "[ . 1 . 2]" 2
590 1 55 TYR HA 1 56 ALA HA . . 4.590 4.314 4.305 4.339 . 0 0 "[ . 1 . 2]" 2
591 1 54 ARG HG3 1 55 TYR HA . . 4.640 3.328 3.204 3.542 . 0 0 "[ . 1 . 2]" 2
592 1 27 HIS HB2 1 34 LYS HA . . 4.200 3.210 2.568 3.799 . 0 0 "[ . 1 . 2]" 2
593 1 27 HIS HB3 1 34 LYS HA . . 4.150 2.420 1.990 3.190 . 0 0 "[ . 1 . 2]" 2
594 1 34 LYS HA 1 34 LYS HG3 . . 4.110 3.609 2.824 4.172 0.062 19 0 "[ . 1 . 2]" 2
595 1 34 LYS HA 1 35 THR MG . . 4.270 3.929 3.418 4.237 . 0 0 "[ . 1 . 2]" 2
596 1 33 LYS HA 1 33 LYS QG . . 3.460 2.559 2.277 2.836 . 0 0 "[ . 1 . 2]" 2
597 1 66 LYS HA 1 66 LYS QG . . 3.430 2.613 2.164 3.444 0.014 10 0 "[ . 1 . 2]" 2
598 1 28 CYS HB3 1 49 PHE HA . . 4.510 4.044 3.966 4.114 . 0 0 "[ . 1 . 2]" 2
599 1 41 PHE QD 1 50 CYS HA . . 4.290 3.859 3.175 4.228 . 0 0 "[ . 1 . 2]" 2
600 1 28 CYS HB2 1 50 CYS HA . . 4.400 3.394 3.271 3.469 . 0 0 "[ . 1 . 2]" 2
601 1 35 THR MG 1 50 CYS HA . . 3.150 2.042 1.791 2.254 . 0 0 "[ . 1 . 2]" 2
602 1 30 LEU HA 1 30 LEU HG . . 3.570 3.041 2.919 3.177 . 0 0 "[ . 1 . 2]" 2
603 1 30 LEU HA 1 30 LEU MD1 . . 3.280 2.110 1.965 2.386 . 0 0 "[ . 1 . 2]" 2
604 1 18 LEU HA 1 18 LEU MD1 . . 4.570 3.370 1.995 3.918 . 0 0 "[ . 1 . 2]" 2
605 1 15 LYS HA 1 15 LYS QG . . 3.690 2.696 2.247 3.423 . 0 0 "[ . 1 . 2]" 2
606 1 26 LYS HA 1 26 LYS HG3 . . 4.140 3.140 2.230 3.808 . 0 0 "[ . 1 . 2]" 2
607 1 56 ALA HA 1 61 CYS HA . . 4.700 4.331 4.197 4.681 . 0 0 "[ . 1 . 2]" 2
608 1 56 ALA HA 1 59 HIS HE1 . . 3.700 2.479 2.333 2.648 . 0 0 "[ . 1 . 2]" 2
609 1 56 ALA HA 1 61 CYS QB . . 3.230 2.260 2.104 2.473 . 0 0 "[ . 1 . 2]" 2
610 1 41 PHE QD 1 51 ALA HA . . 3.670 2.730 2.256 3.231 . 0 0 "[ . 1 . 2]" 2
611 1 41 PHE QE 1 51 ALA HA . . 3.800 2.302 2.003 2.892 . 0 0 "[ . 1 . 2]" 2
612 1 51 ALA HA 1 54 ARG HD2 . . 3.940 3.061 2.845 3.354 . 0 0 "[ . 1 . 2]" 2
613 1 51 ALA HA 1 54 ARG HB3 . . 4.140 2.226 2.152 2.283 . 0 0 "[ . 1 . 2]" 2
614 1 51 ALA HA 1 54 ARG HG2 . . 4.080 3.632 3.397 3.840 . 0 0 "[ . 1 . 2]" 2
615 1 39 THR MG 1 41 PHE QD . . 4.810 4.034 2.929 4.757 . 0 0 "[ . 1 . 2]" 2
616 1 18 LEU HA 1 18 LEU MD2 . . 4.570 2.894 2.042 4.093 . 0 0 "[ . 1 . 2]" 2
617 1 27 HIS HA 1 34 LYS HA . . 3.490 3.028 2.578 3.462 . 0 0 "[ . 1 . 2]" 2
618 1 27 HIS HA 1 28 CYS HB3 . . 5.040 4.832 4.730 5.008 . 0 0 "[ . 1 . 2]" 2
619 1 27 HIS HA 1 28 CYS HB2 . . 4.930 4.635 4.559 4.784 . 0 0 "[ . 1 . 2]" 2
620 1 27 HIS HA 1 35 THR MG . . 4.090 2.844 2.294 3.351 . 0 0 "[ . 1 . 2]" 2
621 1 30 LEU QB 1 59 HIS HA . . 4.620 4.349 3.722 4.623 0.003 12 0 "[ . 1 . 2]" 2
622 1 58 ALA MB 1 59 HIS HA . . 4.910 4.025 3.896 4.077 . 0 0 "[ . 1 . 2]" 2
623 1 30 LEU MD1 1 59 HIS HA . . 3.510 2.777 1.984 3.365 . 0 0 "[ . 1 . 2]" 2
624 1 30 LEU MD2 1 59 HIS HA . . 3.500 2.582 2.315 2.818 . 0 0 "[ . 1 . 2]" 2
625 1 59 HIS HA 1 59 HIS HD2 . . 4.840 4.412 4.334 4.477 . 0 0 "[ . 1 . 2]" 2
626 1 14 VAL H 1 14 VAL MG1 . . 4.150 3.194 1.989 3.905 . 0 0 "[ . 1 . 2]" 2
627 1 34 LYS H 1 35 THR MG . . 5.170 4.589 4.296 4.889 . 0 0 "[ . 1 . 2]" 2
628 1 35 THR MG 1 48 ASN HD22 . . 4.410 3.197 2.198 4.084 . 0 0 "[ . 1 . 2]" 2
629 1 35 THR MG 1 50 CYS HB2 . . 3.670 3.339 2.931 3.550 . 0 0 "[ . 1 . 2]" 2
630 1 28 CYS HB2 1 35 THR MG . . 3.780 2.731 2.334 3.019 . 0 0 "[ . 1 . 2]" 2
631 1 35 THR MG 1 50 CYS HB3 . . 3.340 2.809 2.435 2.984 . 0 0 "[ . 1 . 2]" 2
632 1 64 ASP HA 1 65 TYR QD . . 4.840 4.348 3.765 4.855 0.015 11 0 "[ . 1 . 2]" 2
633 1 63 TYR QD 1 64 ASP HA . . 4.830 4.459 3.706 4.814 . 0 0 "[ . 1 . 2]" 2
634 1 53 HIS HD2 1 58 ALA MB . . 3.460 2.939 2.749 3.231 . 0 0 "[ . 1 . 2]" 2
635 1 55 TYR HB3 1 58 ALA MB . . 3.830 3.605 3.415 3.767 . 0 0 "[ . 1 . 2]" 2
636 1 55 TYR HB2 1 58 ALA MB . . 3.540 2.047 1.947 2.315 . 0 0 "[ . 1 . 2]" 2
637 1 57 GLU QG 1 58 ALA MB . . 4.160 3.230 3.104 3.406 . 0 0 "[ . 1 . 2]" 2
638 1 57 GLU QB 1 58 ALA MB . . 4.900 4.641 4.590 4.695 . 0 0 "[ . 1 . 2]" 2
639 1 30 LEU MD2 1 58 ALA MB . . 4.470 3.617 3.349 4.075 . 0 0 "[ . 1 . 2]" 2
640 1 11 LEU HA 1 12 PRO HD3 . . 3.560 2.303 2.254 2.389 . 0 0 "[ . 1 . 2]" 2
641 1 11 LEU HA 1 12 PRO HD2 . . 3.560 2.058 1.932 2.402 . 0 0 "[ . 1 . 2]" 2
642 1 57 GLU QB 1 58 ALA HA . . 4.660 4.330 4.254 4.391 . 0 0 "[ . 1 . 2]" 2
643 1 53 HIS HB3 1 58 ALA MB . . 4.380 2.992 2.639 3.373 . 0 0 "[ . 1 . 2]" 2
644 1 56 ALA MB 1 65 TYR QE . . 3.680 2.341 1.968 2.702 . 0 0 "[ . 1 . 2]" 2
645 1 61 CYS H 1 65 TYR QE . . 4.760 4.686 4.600 4.769 0.009 8 0 "[ . 1 . 2]" 2
646 1 63 TYR QD 1 65 TYR QE . . 4.900 4.009 3.291 4.496 . 0 0 "[ . 1 . 2]" 2
647 1 56 ALA HA 1 65 TYR QE . . 5.500 4.577 4.257 5.100 . 0 0 "[ . 1 . 2]" 2
648 1 54 ARG HB3 1 55 TYR QE . . 5.310 5.051 4.853 5.304 . 0 0 "[ . 1 . 2]" 2
649 1 55 TYR QE 1 58 ALA MB . . 4.640 4.296 3.855 4.544 . 0 0 "[ . 1 . 2]" 2
650 1 54 ARG HG2 1 55 TYR QE . . 4.770 3.079 2.735 3.334 . 0 0 "[ . 1 . 2]" 2
651 1 63 TYR QE 1 68 ALA MB . . 4.570 4.077 2.878 4.571 0.001 3 0 "[ . 1 . 2]" 2
652 1 50 CYS HB2 1 51 ALA MB . . 3.960 3.773 3.645 3.892 . 0 0 "[ . 1 . 2]" 2
653 1 51 ALA MB 1 52 SER HB3 . . 5.080 4.932 4.806 5.072 . 0 0 "[ . 1 . 2]" 2
654 1 50 CYS HB3 1 51 ALA MB . . 5.300 5.167 5.093 5.250 . 0 0 "[ . 1 . 2]" 2
655 1 44 ARG HD3 1 63 TYR QE . . 4.640 3.529 2.503 4.547 . 0 0 "[ . 1 . 2]" 2
656 1 44 ARG HG2 1 63 TYR QE . . 5.340 4.917 2.416 5.348 0.008 16 0 "[ . 1 . 2]" 2
657 1 44 ARG HB2 1 63 TYR QE . . 4.650 4.085 2.888 4.654 0.004 18 0 "[ . 1 . 2]" 2
658 1 44 ARG HG3 1 63 TYR QE . . 5.340 4.519 3.470 5.266 . 0 0 "[ . 1 . 2]" 2
659 1 63 TYR QE 1 65 TYR QD . . 4.590 3.740 2.868 4.105 . 0 0 "[ . 1 . 2]" 2
660 1 44 ARG HB3 1 63 TYR QE . . 4.480 2.841 2.359 3.707 . 0 0 "[ . 1 . 2]" 2
661 1 41 PHE QE 1 51 ALA MB . . 3.050 2.059 1.943 2.284 . 0 0 "[ . 1 . 2]" 2
662 1 51 ALA MB 1 52 SER HB2 . . 4.530 4.036 3.898 4.151 . 0 0 "[ . 1 . 2]" 2
663 1 56 ALA MB 1 57 GLU QG . . 4.180 3.915 3.664 4.182 0.002 14 0 "[ . 1 . 2]" 2
664 1 56 ALA MB 1 57 GLU QB . . 3.930 3.871 3.730 3.930 0.000 5 0 "[ . 1 . 2]" 2
665 1 56 ALA MB 1 59 HIS HE1 . . 4.010 3.823 3.630 4.007 . 0 0 "[ . 1 . 2]" 2
666 1 55 TYR HA 1 56 ALA MB . . 4.240 4.042 3.961 4.111 . 0 0 "[ . 1 . 2]" 2
667 1 56 ALA MB 1 57 GLU HA . . 4.270 3.667 3.534 3.759 . 0 0 "[ . 1 . 2]" 2
668 1 55 TYR HB3 1 56 ALA MB . . 4.360 4.253 4.106 4.374 0.014 7 0 "[ . 1 . 2]" 2
669 1 56 ALA MB 1 61 CYS QB . . 3.010 1.909 1.822 2.163 . 0 0 "[ . 1 . 2]" 2
670 1 56 ALA MB 1 59 HIS HD2 . . 5.430 5.136 4.851 5.308 . 0 0 "[ . 1 . 2]" 2
671 1 16 ALA MB 1 17 PRO HD3 . . 3.910 3.595 3.208 3.886 . 0 0 "[ . 1 . 2]" 2
672 1 16 ALA MB 1 17 PRO HD2 . . 3.910 2.526 1.996 2.947 . 0 0 "[ . 1 . 2]" 2
673 1 77 ASN HA 1 78 PRO HD2 . . 4.040 2.135 1.913 2.497 . 0 0 "[ . 1 . 2]" 2
674 1 77 ASN HA 1 78 PRO HD3 . . 4.040 2.439 2.253 3.221 . 0 0 "[ . 1 . 2]" 2
675 1 16 ALA HA 1 17 PRO HD3 . . 3.480 2.282 2.253 2.333 . 0 0 "[ . 1 . 2]" 2
676 1 16 ALA HA 1 17 PRO HD2 . . 3.480 2.157 1.971 2.405 . 0 0 "[ . 1 . 2]" 2
677 1 59 HIS HD2 1 61 CYS QB . . 3.820 3.677 3.245 3.819 . 0 0 "[ . 1 . 2]" 2
678 1 43 CYS HB3 1 59 HIS HE1 . . 4.580 3.467 3.285 3.862 . 0 0 "[ . 1 . 2]" 2
679 1 43 CYS HB2 1 59 HIS HE1 . . 4.130 2.566 2.374 2.907 . 0 0 "[ . 1 . 2]" 2
680 1 59 HIS HE1 1 61 CYS QB . . 4.790 3.854 3.412 4.372 . 0 0 "[ . 1 . 2]" 2
681 1 53 HIS HA 1 58 ALA MB . . 3.770 1.925 1.807 2.039 . 0 0 "[ . 1 . 2]" 2
682 1 53 HIS HA 1 53 HIS HD2 . . 4.230 2.511 2.444 2.564 . 0 0 "[ . 1 . 2]" 2
683 1 30 LEU MD1 1 31 CYS H . . 4.480 4.261 4.131 4.384 . 0 0 "[ . 1 . 2]" 2
684 1 31 CYS HB3 1 53 HIS HE1 . . 3.580 2.103 1.996 2.301 . 0 0 "[ . 1 . 2]" 2
685 1 8 ILE H 1 8 ILE QG . . 4.190 2.984 2.111 4.161 . 0 0 "[ . 1 . 2]" 2
686 1 11 LEU HA 1 11 LEU QD . . 4.000 2.358 1.962 3.332 . 0 0 "[ . 1 . 2]" 2
687 1 11 LEU QB 1 12 PRO QD . . 3.480 3.113 2.001 3.561 0.081 13 0 "[ . 1 . 2]" 2
688 1 11 LEU QD 1 12 PRO QG . . 4.080 3.453 2.709 4.021 . 0 0 "[ . 1 . 2]" 2
689 1 11 LEU QD 1 12 PRO QD . . 3.810 2.285 1.812 3.321 . 0 0 "[ . 1 . 2]" 2
690 1 12 PRO HA 1 13 PRO QD . . 3.460 1.960 1.861 2.167 . 0 0 "[ . 1 . 2]" 2
691 1 12 PRO QB 1 13 PRO QD . . 3.310 2.743 2.020 3.218 . 0 0 "[ . 1 . 2]" 2
692 1 13 PRO HA 1 14 VAL QG . . 4.530 3.532 3.193 3.991 . 0 0 "[ . 1 . 2]" 2
693 1 13 PRO QB 1 14 VAL H . . 3.910 2.707 2.119 3.809 . 0 0 "[ . 1 . 2]" 2
694 1 13 PRO QB 1 14 VAL QG . . 4.550 4.141 3.818 4.482 . 0 0 "[ . 1 . 2]" 2
695 1 14 VAL H 1 14 VAL QG . . 3.350 2.519 1.983 2.948 . 0 0 "[ . 1 . 2]" 2
696 1 14 VAL QG 1 15 LYS H . . 3.950 2.502 1.903 3.362 . 0 0 "[ . 1 . 2]" 2
697 1 16 ALA MB 1 17 PRO QD . . 3.310 2.476 1.977 2.863 . 0 0 "[ . 1 . 2]" 2
698 1 18 LEU H 1 18 LEU QB . . 3.280 2.491 2.204 2.850 . 0 0 "[ . 1 . 2]" 2
699 1 18 LEU HA 1 18 LEU QD . . 3.780 2.494 1.898 3.411 . 0 0 "[ . 1 . 2]" 2
700 1 18 LEU HA 1 19 GLN QB . . 4.740 4.392 4.031 4.736 . 0 0 "[ . 1 . 2]" 2
701 1 18 LEU QB 1 18 LEU QD . . 2.870 1.882 1.797 2.060 . 0 0 "[ . 1 . 2]" 2
702 1 22 LYS H 1 22 LYS QB . . 3.660 2.763 2.220 3.349 . 0 0 "[ . 1 . 2]" 2
703 1 22 LYS HA 1 23 LYS QG . . 3.990 3.749 3.333 4.049 0.059 18 0 "[ . 1 . 2]" 2
704 1 23 LYS H 1 23 LYS QG . . 4.770 2.623 1.894 3.294 . 0 0 "[ . 1 . 2]" 2
705 1 23 LYS HA 1 23 LYS QG . . 3.720 2.949 2.260 3.407 . 0 0 "[ . 1 . 2]" 2
706 1 24 ILE HA 1 24 ILE QG . . 3.360 2.589 2.280 2.988 . 0 0 "[ . 1 . 2]" 2
707 1 24 ILE QG 1 24 ILE MG . . 3.160 2.195 1.982 2.367 . 0 0 "[ . 1 . 2]" 2
708 1 25 MET H 1 25 MET QG . . 4.100 3.154 2.044 4.099 . 0 0 "[ . 1 . 2]" 2
709 1 26 LYS H 1 26 LYS QB . . 3.660 2.627 2.161 3.165 . 0 0 "[ . 1 . 2]" 2
710 1 26 LYS H 1 26 LYS QG . . 4.510 3.067 1.904 4.056 . 0 0 "[ . 1 . 2]" 2
711 1 26 LYS HA 1 26 LYS QG . . 3.260 2.533 2.162 3.352 0.092 20 0 "[ . 1 . 2]" 2
712 1 26 LYS QB 1 27 HIS H . . 3.430 2.769 2.272 3.394 . 0 0 "[ . 1 . 2]" 2
713 1 26 LYS QB 1 48 ASN QB . . 4.180 3.892 3.512 4.194 0.014 11 0 "[ . 1 . 2]" 2
714 1 26 LYS QB 1 48 ASN QD . . 3.590 2.928 2.357 3.587 . 0 0 "[ . 1 . 2]" 2
715 1 26 LYS QE 1 26 LYS QG . . 3.070 2.196 2.079 2.492 . 0 0 "[ . 1 . 2]" 2
716 1 26 LYS QG 1 27 HIS H . . 4.220 3.569 2.407 4.181 . 0 0 "[ . 1 . 2]" 2
717 1 26 LYS QD 1 40 SER QB . . 3.680 2.941 1.843 3.585 . 0 0 "[ . 1 . 2]" 2
718 1 26 LYS QD 1 48 ASN QB . . 3.900 3.395 2.080 3.873 . 0 0 "[ . 1 . 2]" 2
719 1 27 HIS H 1 48 ASN QD . . 4.010 2.749 1.792 3.649 . 0 0 "[ . 1 . 2]" 2
720 1 27 HIS HB2 1 32 GLY QA . . 3.980 3.236 2.976 3.450 . 0 0 "[ . 1 . 2]" 2
721 1 27 HIS HB3 1 32 GLY QA . . 5.030 4.793 4.558 5.034 0.004 12 0 "[ . 1 . 2]" 2
722 1 27 HIS HD2 1 32 GLY QA . . 4.370 3.324 1.978 4.418 0.048 11 0 "[ . 1 . 2]" 2
723 1 28 CYS H 1 33 LYS QB . . 4.230 3.832 3.350 4.118 . 0 0 "[ . 1 . 2]" 2
724 1 28 CYS HA 1 29 PHE QB . . 4.210 4.044 4.027 4.058 . 0 0 "[ . 1 . 2]" 2
725 1 28 CYS HA 1 48 ASN QD . . 4.120 2.817 2.106 3.257 . 0 0 "[ . 1 . 2]" 2
726 1 28 CYS HB2 1 33 LYS QB . . 4.050 3.076 2.588 3.543 . 0 0 "[ . 1 . 2]" 2
727 1 28 CYS HB3 1 33 LYS QB . . 3.850 3.079 2.755 3.282 . 0 0 "[ . 1 . 2]" 2
728 1 29 PHE H 1 48 ASN QD . . 4.680 4.245 3.382 4.633 . 0 0 "[ . 1 . 2]" 2
729 1 29 PHE QB 1 30 LEU H . . 3.690 2.937 2.808 3.107 . 0 0 "[ . 1 . 2]" 2
730 1 29 PHE QB 1 47 ASN HB3 . . 3.710 2.621 2.554 2.716 . 0 0 "[ . 1 . 2]" 2
731 1 29 PHE QB 1 48 ASN H . . 4.150 3.371 2.963 3.733 . 0 0 "[ . 1 . 2]" 2
732 1 29 PHE QB 1 49 PHE HZ . . 4.600 3.501 3.315 3.752 . 0 0 "[ . 1 . 2]" 2
733 1 29 PHE QD 1 47 ASN QD . . 4.500 3.679 2.833 4.479 . 0 0 "[ . 1 . 2]" 2
734 1 30 LEU QB 1 59 HIS QB . . 3.660 2.728 2.486 2.897 . 0 0 "[ . 1 . 2]" 2
735 1 30 LEU HG 1 59 HIS QB . . 5.340 4.389 4.143 4.704 . 0 0 "[ . 1 . 2]" 2
736 1 30 LEU MD1 1 59 HIS QB . . 3.320 2.296 1.920 2.836 . 0 0 "[ . 1 . 2]" 2
737 1 30 LEU MD2 1 59 HIS QB . . 3.600 2.316 1.867 2.686 . 0 0 "[ . 1 . 2]" 2
738 1 31 CYS H 1 32 GLY QA . . 4.550 4.215 4.161 4.312 . 0 0 "[ . 1 . 2]" 2
739 1 33 LYS H 1 33 LYS QB . . 2.760 2.238 2.205 2.288 . 0 0 "[ . 1 . 2]" 2
740 1 33 LYS QB 1 33 LYS QD . . 3.360 2.176 2.056 2.294 . 0 0 "[ . 1 . 2]" 2
741 1 33 LYS QB 1 33 LYS QE . . 3.820 2.953 1.963 3.693 . 0 0 "[ . 1 . 2]" 2
742 1 33 LYS QB 1 34 LYS H . . 3.790 3.562 3.351 3.750 . 0 0 "[ . 1 . 2]" 2
743 1 33 LYS QB 1 35 THR MG . . 4.660 3.447 2.497 4.079 . 0 0 "[ . 1 . 2]" 2
744 1 33 LYS QB 1 50 CYS H . . 5.340 4.574 4.102 5.193 . 0 0 "[ . 1 . 2]" 2
745 1 33 LYS QB 1 50 CYS HB3 . . 4.540 2.388 1.932 3.117 . 0 0 "[ . 1 . 2]" 2
746 1 34 LYS H 1 34 LYS QG . . 3.340 2.301 1.874 3.219 . 0 0 "[ . 1 . 2]" 2
747 1 34 LYS HA 1 34 LYS QG . . 3.520 3.098 2.335 3.406 . 0 0 "[ . 1 . 2]" 2
748 1 34 LYS QG 1 35 THR H . . 4.680 4.317 3.590 4.617 . 0 0 "[ . 1 . 2]" 2
749 1 35 THR HA 1 48 ASN QD . . 5.340 5.190 4.605 5.354 0.014 14 0 "[ . 1 . 2]" 2
750 1 35 THR HB 1 48 ASN QD . . 4.860 3.436 2.686 3.964 . 0 0 "[ . 1 . 2]" 2
751 1 35 THR MG 1 40 SER QB . . 4.200 3.690 3.419 4.018 . 0 0 "[ . 1 . 2]" 2
752 1 35 THR MG 1 48 ASN QD . . 3.670 2.889 2.174 3.430 . 0 0 "[ . 1 . 2]" 2
753 1 37 LEU HA 1 37 LEU QD . . 3.050 2.529 1.871 3.017 . 0 0 "[ . 1 . 2]" 2
754 1 40 SER H 1 40 SER QB . . 3.450 2.473 2.180 3.034 . 0 0 "[ . 1 . 2]" 2
755 1 40 SER HA 1 48 ASN QD . . 4.610 3.491 2.245 4.491 . 0 0 "[ . 1 . 2]" 2
756 1 40 SER QB 1 41 PHE H . . 3.700 3.283 2.871 3.701 0.001 11 0 "[ . 1 . 2]" 2
757 1 41 PHE HB2 1 54 ARG QD . . 4.750 3.810 3.523 4.201 . 0 0 "[ . 1 . 2]" 2
758 1 41 PHE QD 1 54 ARG QD . . 4.020 2.958 2.571 3.440 . 0 0 "[ . 1 . 2]" 2
759 1 42 GLU H 1 42 GLU QG . . 4.390 3.657 2.359 4.221 . 0 0 "[ . 1 . 2]" 2
760 1 42 GLU QG 1 43 CYS H . . 3.790 3.164 2.617 3.787 . 0 0 "[ . 1 . 2]" 2
761 1 44 ARG H 1 44 ARG QG . . 3.110 2.211 1.880 3.224 0.114 11 0 "[ . 1 . 2]" 2
762 1 44 ARG H 1 44 ARG QD . . 4.200 3.824 1.861 4.207 0.007 20 0 "[ . 1 . 2]" 2
763 1 44 ARG HA 1 44 ARG QG . . 3.440 2.587 2.193 2.829 . 0 0 "[ . 1 . 2]" 2
764 1 44 ARG HB2 1 44 ARG QD . . 3.680 3.011 2.132 3.395 . 0 0 "[ . 1 . 2]" 2
765 1 44 ARG QG 1 45 CYS H . . 4.630 4.088 3.896 4.579 . 0 0 "[ . 1 . 2]" 2
766 1 44 ARG QG 1 63 TYR QD . . 4.930 3.717 3.062 4.276 . 0 0 "[ . 1 . 2]" 2
767 1 44 ARG QG 1 63 TYR QE . . 4.630 4.082 2.396 4.634 0.004 3 0 "[ . 1 . 2]" 2
768 1 44 ARG QG 1 65 TYR QE . . 4.550 3.569 1.981 4.502 . 0 0 "[ . 1 . 2]" 2
769 1 44 ARG QD 1 63 TYR QE . . 4.020 2.922 2.426 3.401 . 0 0 "[ . 1 . 2]" 2
770 1 44 ARG QD 1 65 TYR QE . . 5.210 4.485 1.986 5.219 0.009 8 0 "[ . 1 . 2]" 2
771 1 45 CYS H 1 46 GLY QA . . 4.540 4.435 4.345 4.485 . 0 0 "[ . 1 . 2]" 2
772 1 45 CYS HA 1 63 TYR QB . . 4.270 2.416 2.000 3.079 . 0 0 "[ . 1 . 2]" 2
773 1 45 CYS HB2 1 46 GLY QA . . 4.870 4.469 4.374 4.529 . 0 0 "[ . 1 . 2]" 2
774 1 45 CYS HB2 1 47 ASN QD . . 4.120 3.355 2.786 4.054 . 0 0 "[ . 1 . 2]" 2
775 1 45 CYS HB2 1 63 TYR QB . . 4.100 3.385 2.965 4.070 . 0 0 "[ . 1 . 2]" 2
776 1 47 ASN H 1 47 ASN QD . . 4.230 3.410 2.828 3.926 . 0 0 "[ . 1 . 2]" 2
777 1 47 ASN HB2 1 47 ASN QD . . 3.240 2.158 2.096 2.318 . 0 0 "[ . 1 . 2]" 2
778 1 47 ASN QD 1 49 PHE HZ . . 3.840 2.809 2.091 3.656 . 0 0 "[ . 1 . 2]" 2
779 1 48 ASN H 1 48 ASN QB . . 3.020 2.327 2.197 2.556 . 0 0 "[ . 1 . 2]" 2
780 1 48 ASN H 1 48 ASN QD . . 4.560 4.265 3.707 4.575 0.015 16 0 "[ . 1 . 2]" 2
781 1 48 ASN QB 1 48 ASN QD . . 3.030 2.127 2.063 2.286 . 0 0 "[ . 1 . 2]" 2
782 1 48 ASN QB 1 49 PHE H . . 4.180 3.595 3.252 3.855 . 0 0 "[ . 1 . 2]" 2
783 1 49 PHE HZ 1 59 HIS QB . . 4.530 3.571 2.931 4.254 . 0 0 "[ . 1 . 2]" 2
784 1 51 ALA HA 1 54 ARG QD . . 3.420 2.308 1.991 2.448 . 0 0 "[ . 1 . 2]" 2
785 1 53 HIS HB2 1 59 HIS QB . . 4.650 4.110 3.707 4.318 . 0 0 "[ . 1 . 2]" 2
786 1 53 HIS HB3 1 59 HIS QB . . 4.480 2.690 2.218 2.921 . 0 0 "[ . 1 . 2]" 2
787 1 54 ARG H 1 54 ARG QD . . 4.050 3.635 3.496 3.854 . 0 0 "[ . 1 . 2]" 2
788 1 54 ARG HA 1 54 ARG QD . . 4.420 4.263 4.247 4.269 . 0 0 "[ . 1 . 2]" 2
789 1 54 ARG QD 1 55 TYR QD . . 4.730 4.482 4.243 4.653 . 0 0 "[ . 1 . 2]" 2
790 1 54 ARG QD 1 55 TYR QE . . 4.140 3.688 3.305 3.947 . 0 0 "[ . 1 . 2]" 2
791 1 56 ALA MB 1 65 TYR QB . . 5.340 5.102 4.739 5.364 0.024 11 0 "[ . 1 . 2]" 2
792 1 58 ALA MB 1 59 HIS QB . . 4.810 3.444 3.341 3.576 . 0 0 "[ . 1 . 2]" 2
793 1 59 HIS H 1 59 HIS QB . . 3.500 2.893 2.742 2.973 . 0 0 "[ . 1 . 2]" 2
794 1 59 HIS H 1 60 GLY QA . . 4.290 4.206 4.171 4.249 . 0 0 "[ . 1 . 2]" 2
795 1 59 HIS QB 1 59 HIS HD1 . . 3.250 2.474 2.435 2.498 . 0 0 "[ . 1 . 2]" 2
796 1 59 HIS QB 1 60 GLY H . . 4.130 4.048 4.032 4.055 . 0 0 "[ . 1 . 2]" 2
797 1 62 ASN QD 1 63 TYR H . . 5.340 3.903 2.445 5.188 . 0 0 "[ . 1 . 2]" 2
798 1 63 TYR QB 1 65 TYR QD . . 4.720 3.547 2.482 4.507 . 0 0 "[ . 1 . 2]" 2
799 1 64 ASP QB 1 65 TYR H . . 4.060 3.948 3.776 4.036 . 0 0 "[ . 1 . 2]" 2
800 1 65 TYR H 1 65 TYR QB . . 3.130 2.849 2.188 3.147 0.017 7 0 "[ . 1 . 2]" 2
801 1 65 TYR QB 1 68 ALA MB . . 4.500 3.259 1.976 4.391 . 0 0 "[ . 1 . 2]" 2
802 1 66 LYS QB 1 66 LYS QE . . 4.130 2.897 1.973 3.783 . 0 0 "[ . 1 . 2]" 2
803 1 70 ARG H 1 70 ARG QB . . 3.620 2.664 2.201 3.316 . 0 0 "[ . 1 . 2]" 2
804 1 70 ARG HA 1 70 ARG QB . . 2.600 2.323 2.179 2.482 . 0 0 "[ . 1 . 2]" 2
805 1 70 ARG QB 1 70 ARG QD . . 3.410 2.199 2.026 2.694 . 0 0 "[ . 1 . 2]" 2
806 1 70 ARG QB 1 71 ARG H . . 3.740 2.881 2.103 3.742 0.002 16 0 "[ . 1 . 2]" 2
807 1 72 TYR H 1 72 TYR QB . . 3.360 2.479 2.150 2.924 . 0 0 "[ . 1 . 2]" 2
808 1 72 TYR QB 1 73 LEU H . . 3.710 2.979 2.212 3.689 . 0 0 "[ . 1 . 2]" 2
809 1 73 LEU HA 1 73 LEU QD . . 3.790 2.707 1.925 3.392 . 0 0 "[ . 1 . 2]" 2
810 1 73 LEU QB 1 74 GLU H . . 4.020 2.951 2.029 3.864 . 0 0 "[ . 1 . 2]" 2
811 1 74 GLU H 1 74 GLU QB . . 3.260 2.541 2.182 3.064 . 0 0 "[ . 1 . 2]" 2
812 1 74 GLU QB 1 75 GLU H . . 4.260 3.405 2.362 4.036 . 0 0 "[ . 1 . 2]" 2
813 1 75 GLU H 1 75 GLU QB . . 3.300 2.543 2.138 3.202 . 0 0 "[ . 1 . 2]" 2
814 1 75 GLU H 1 75 GLU QG . . 4.440 3.449 1.868 4.172 . 0 0 "[ . 1 . 2]" 2
815 1 75 GLU QB 1 76 ALA H . . 4.150 3.440 2.183 4.028 . 0 0 "[ . 1 . 2]" 2
816 1 77 ASN HA 1 78 PRO QD . . 3.430 1.982 1.851 2.279 . 0 0 "[ . 1 . 2]" 2
817 1 77 ASN QB 1 78 PRO QD . . 4.720 2.985 2.014 3.831 . 0 0 "[ . 1 . 2]" 2
818 1 78 PRO QB 1 79 VAL H . . 4.120 2.817 2.102 3.847 . 0 0 "[ . 1 . 2]" 2
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