NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506081 |
1wfe   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfe
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 185
_Distance_constraint_stats_list.Viol_total 15.549
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 0.084 0.007 15 0 "[ . 1 . 2]"
1 33 CYS 0.025 0.005 15 0 "[ . 1 . 2]"
1 43 CYS 0.262 0.020 9 0 "[ . 1 . 2]"
1 46 CYS 0.095 0.011 9 0 "[ . 1 . 2]"
1 51 CYS 0.137 0.013 9 0 "[ . 1 . 2]"
1 54 HIS 0.040 0.006 15 0 "[ . 1 . 2]"
1 60 HIS 0.052 0.009 9 0 "[ . 1 . 2]"
1 62 CYS 0.267 0.020 9 0 "[ . 1 . 2]"
2 1 ZN 0.216 0.013 9 0 "[ . 1 . 2]"
3 1 ZN 0.377 0.020 9 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 2.344 2.323 2.374 0.007 15 0 "[ . 1 . 2]" 1
2 1 33 CYS SG 2 1 ZN ZN . 2.330 2.370 2.352 2.328 2.370 0.002 7 0 "[ . 1 . 2]" 1
3 1 51 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.317 2.347 0.013 9 0 "[ . 1 . 2]" 1
4 1 54 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.349 2.325 2.373 0.005 15 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.257 3.243 3.304 0.007 9 0 "[ . 1 . 2]" 1
6 1 33 CYS CB 2 1 ZN ZN . 3.250 3.510 3.299 3.245 3.489 0.005 15 0 "[ . 1 . 2]" 1
7 1 51 CYS CB 2 1 ZN ZN . 3.250 3.510 3.502 3.417 3.522 0.012 9 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 33 CYS SG . 3.200 4.000 3.613 3.307 4.001 0.001 10 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 51 CYS SG . 3.200 4.000 3.940 3.795 4.007 0.007 15 0 "[ . 1 . 2]" 1
10 1 28 CYS SG 1 54 HIS ND1 . 3.200 4.000 3.966 3.878 4.006 0.006 15 0 "[ . 1 . 2]" 1
11 1 33 CYS SG 1 54 HIS ND1 . 3.200 4.000 3.683 3.196 4.003 0.004 11 0 "[ . 1 . 2]" 1
12 1 33 CYS SG 1 51 CYS SG . 3.200 4.000 3.898 3.408 4.000 0.000 9 0 "[ . 1 . 2]" 1
13 1 51 CYS SG 1 54 HIS ND1 . 3.200 4.000 3.767 3.607 3.879 . 0 0 "[ . 1 . 2]" 1
14 1 43 CYS SG 3 1 ZN ZN . 2.330 2.370 2.367 2.330 2.377 0.007 11 0 "[ . 1 . 2]" 1
15 1 46 CYS SG 3 1 ZN ZN . 2.330 2.370 2.339 2.323 2.372 0.007 5 0 "[ . 1 . 2]" 1
16 1 60 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.328 2.321 2.334 0.009 9 0 "[ . 1 . 2]" 1
17 1 62 CYS SG 3 1 ZN ZN . 2.330 2.370 2.324 2.310 2.331 0.020 9 0 "[ . 1 . 2]" 1
18 1 43 CYS CB 3 1 ZN ZN . 3.250 3.510 3.243 3.231 3.251 0.019 9 0 "[ . 1 . 2]" 1
19 1 46 CYS CB 3 1 ZN ZN . 3.250 3.510 3.447 3.345 3.511 0.001 20 0 "[ . 1 . 2]" 1
20 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.310 3.248 3.417 0.002 17 0 "[ . 1 . 2]" 1
21 1 43 CYS SG 1 46 CYS SG . 3.200 4.000 3.615 3.573 3.679 . 0 0 "[ . 1 . 2]" 1
22 1 43 CYS SG 1 62 CYS SG . 3.200 4.000 4.003 3.989 4.020 0.020 9 0 "[ . 1 . 2]" 1
23 1 43 CYS SG 1 60 HIS NE2 . 3.200 4.000 3.879 3.734 4.001 0.001 14 0 "[ . 1 . 2]" 1
24 1 46 CYS SG 1 60 HIS NE2 . 3.200 4.000 3.874 3.693 4.002 0.002 4 0 "[ . 1 . 2]" 1
25 1 46 CYS SG 1 62 CYS SG . 3.200 4.000 3.998 3.932 4.011 0.011 9 0 "[ . 1 . 2]" 1
26 1 60 HIS NE2 1 62 CYS SG . 3.200 4.000 3.509 3.377 3.626 . 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 1028
_Distance_constraint_stats_list.Viol_count 498
_Distance_constraint_stats_list.Viol_total 241.864
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0243
_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 10 GLU 1.369 0.169 15 0 "[ . 1 . 2]"
1 11 VAL 1.369 0.169 15 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.007 0.007 18 0 "[ . 1 . 2]"
1 20 THR 0.007 0.007 18 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 0.022 0.020 9 0 "[ . 1 . 2]"
1 24 LYS 0.059 0.020 5 0 "[ . 1 . 2]"
1 25 SER 0.184 0.069 13 0 "[ . 1 . 2]"
1 26 TYR 0.251 0.069 13 0 "[ . 1 . 2]"
1 27 SER 0.168 0.039 9 0 "[ . 1 . 2]"
1 28 CYS 0.715 0.115 20 0 "[ . 1 . 2]"
1 29 SER 0.154 0.036 15 0 "[ . 1 . 2]"
1 30 PHE 0.335 0.101 15 0 "[ . 1 . 2]"
1 31 LYS 0.074 0.029 11 0 "[ . 1 . 2]"
1 32 GLY 0.030 0.022 5 0 "[ . 1 . 2]"
1 33 CYS 1.555 0.185 15 0 "[ . 1 . 2]"
1 34 THR 1.091 0.185 15 0 "[ . 1 . 2]"
1 35 ASP 0.471 0.080 15 0 "[ . 1 . 2]"
1 36 VAL 0.849 0.115 20 0 "[ . 1 . 2]"
1 37 GLU 0.231 0.042 19 0 "[ . 1 . 2]"
1 38 LEU 0.159 0.042 19 0 "[ . 1 . 2]"
1 39 VAL 0.073 0.021 18 0 "[ . 1 . 2]"
1 40 ALA 0.098 0.020 14 0 "[ . 1 . 2]"
1 41 VAL 0.748 0.063 18 0 "[ . 1 . 2]"
1 42 ILE 0.685 0.039 16 0 "[ . 1 . 2]"
1 43 CYS 0.542 0.057 2 0 "[ . 1 . 2]"
1 44 PRO 0.008 0.004 9 0 "[ . 1 . 2]"
1 45 TYR 1.435 0.063 20 0 "[ . 1 . 2]"
1 46 CYS 0.569 0.054 18 0 "[ . 1 . 2]"
1 47 GLU 0.652 0.054 18 0 "[ . 1 . 2]"
1 48 LYS 0.145 0.024 2 0 "[ . 1 . 2]"
1 49 ASN 0.194 0.040 18 0 "[ . 1 . 2]"
1 50 PHE 0.714 0.057 2 0 "[ . 1 . 2]"
1 51 CYS 0.230 0.045 15 0 "[ . 1 . 2]"
1 52 LEU 0.421 0.063 18 0 "[ . 1 . 2]"
1 53 ARG 0.439 0.098 8 0 "[ . 1 . 2]"
1 54 HIS 0.192 0.067 12 0 "[ . 1 . 2]"
1 55 ARG 0.582 0.056 18 0 "[ . 1 . 2]"
1 56 HIS 0.007 0.007 14 0 "[ . 1 . 2]"
1 57 GLN 0.251 0.022 2 0 "[ . 1 . 2]"
1 58 SER 0.016 0.016 11 0 "[ . 1 . 2]"
1 59 ASP 0.023 0.016 11 0 "[ . 1 . 2]"
1 60 HIS 0.168 0.036 2 0 "[ . 1 . 2]"
1 61 ASP 0.050 0.020 5 0 "[ . 1 . 2]"
1 62 CYS 0.040 0.020 11 0 "[ . 1 . 2]"
1 63 GLU 0.837 0.156 4 0 "[ . 1 . 2]"
1 64 LYS 0.075 0.013 10 0 "[ . 1 . 2]"
1 65 LEU 0.130 0.022 2 0 "[ . 1 . 2]"
1 66 GLU 0.115 0.036 1 0 "[ . 1 . 2]"
1 67 VAL 0.142 0.049 8 0 "[ . 1 . 2]"
1 68 ALA 0.114 0.063 13 0 "[ . 1 . 2]"
1 69 LYS 0.925 0.238 14 0 "[ . 1 . 2]"
1 70 PRO 0.456 0.238 14 0 "[ . 1 . 2]"
1 71 ARG 0.556 0.126 16 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.063 0.063 7 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 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 29 SER H 1 30 PHE H . . 3.490 2.739 1.897 3.011 . 0 0 "[ . 1 . 2]" 2
2 1 30 PHE H 1 31 LYS H . . 4.720 4.525 4.349 4.593 . 0 0 "[ . 1 . 2]" 2
3 1 30 PHE H 1 50 PHE QD . . 3.900 3.305 1.940 3.765 . 0 0 "[ . 1 . 2]" 2
4 1 30 PHE H 1 50 PHE HA . . 4.510 4.377 3.614 4.522 0.012 18 0 "[ . 1 . 2]" 2
5 1 30 PHE H 1 33 CYS HB3 . . 3.760 3.449 3.145 3.798 0.038 15 0 "[ . 1 . 2]" 2
6 1 28 CYS QB 1 30 PHE H . . 3.780 3.106 2.828 3.630 . 0 0 "[ . 1 . 2]" 2
7 1 30 PHE H 1 30 PHE HB2 . . 3.140 2.912 2.411 3.139 . 0 0 "[ . 1 . 2]" 2
8 1 30 PHE H 1 30 PHE HB3 . . 3.140 2.461 2.356 2.659 . 0 0 "[ . 1 . 2]" 2
9 1 30 PHE H 1 30 PHE QD . . 4.440 4.133 3.964 4.276 . 0 0 "[ . 1 . 2]" 2
10 1 28 CYS HA 1 30 PHE H . . 4.190 3.959 3.742 4.186 . 0 0 "[ . 1 . 2]" 2
11 1 29 SER QB 1 30 PHE H . . 4.240 3.669 2.877 4.043 . 0 0 "[ . 1 . 2]" 2
12 1 67 VAL HA 1 68 ALA H . . 2.910 2.207 2.141 2.366 . 0 0 "[ . 1 . 2]" 2
13 1 67 VAL HB 1 68 ALA H . . 4.640 3.960 2.592 4.398 . 0 0 "[ . 1 . 2]" 2
14 1 68 ALA H 1 68 ALA MB . . 3.180 2.372 2.050 2.889 . 0 0 "[ . 1 . 2]" 2
15 1 28 CYS H 1 51 CYS H . . 5.500 5.269 5.030 5.513 0.013 17 0 "[ . 1 . 2]" 2
16 1 28 CYS H 1 29 SER H . . 4.830 4.616 4.576 4.646 . 0 0 "[ . 1 . 2]" 2
17 1 28 CYS H 1 36 VAL HA . . 3.930 3.486 3.070 3.771 . 0 0 "[ . 1 . 2]" 2
18 1 27 SER HA 1 28 CYS H . . 2.680 2.178 2.149 2.245 . 0 0 "[ . 1 . 2]" 2
19 1 28 CYS H 1 33 CYS HB3 . . 5.420 5.304 4.979 5.442 0.022 20 0 "[ . 1 . 2]" 2
20 1 28 CYS H 1 28 CYS QB . . 2.740 2.238 2.186 2.270 . 0 0 "[ . 1 . 2]" 2
21 1 28 CYS H 1 36 VAL MG1 . . 3.780 3.270 2.887 3.597 . 0 0 "[ . 1 . 2]" 2
22 1 39 VAL HA 1 40 ALA H . . 2.640 2.508 2.331 2.605 . 0 0 "[ . 1 . 2]" 2
23 1 39 VAL HB 1 40 ALA H . . 3.390 2.176 1.994 2.555 . 0 0 "[ . 1 . 2]" 2
24 1 40 ALA H 1 40 ALA MB . . 2.790 2.366 2.230 2.534 . 0 0 "[ . 1 . 2]" 2
25 1 40 ALA H 1 41 VAL H . . 4.210 4.082 3.873 4.221 0.011 12 0 "[ . 1 . 2]" 2
26 1 26 TYR QD 1 40 ALA H . . 4.420 3.958 3.519 4.269 . 0 0 "[ . 1 . 2]" 2
27 1 14 VAL HA 1 15 LYS H . . 3.190 2.205 2.140 2.625 . 0 0 "[ . 1 . 2]" 2
28 1 14 VAL HB 1 15 LYS H . . 4.500 3.815 1.965 4.457 . 0 0 "[ . 1 . 2]" 2
29 1 14 VAL QG 1 15 LYS H . . 4.330 2.834 2.026 3.708 . 0 0 "[ . 1 . 2]" 2
30 1 41 VAL H 1 42 ILE HG12 . . 5.070 4.888 4.772 5.029 . 0 0 "[ . 1 . 2]" 2
31 1 79 VAL H 1 80 ARG H . . 5.430 3.813 2.664 4.528 . 0 0 "[ . 1 . 2]" 2
32 1 41 VAL H 1 49 ASN HA . . 4.770 4.277 4.038 4.619 . 0 0 "[ . 1 . 2]" 2
33 1 41 VAL H 1 51 CYS HA . . 5.280 4.720 4.507 4.965 . 0 0 "[ . 1 . 2]" 2
34 1 40 ALA HA 1 41 VAL H . . 2.680 2.183 2.146 2.239 . 0 0 "[ . 1 . 2]" 2
35 1 41 VAL H 1 41 VAL HB . . 3.450 2.493 2.448 2.544 . 0 0 "[ . 1 . 2]" 2
36 1 41 VAL H 1 41 VAL MG2 . . 3.080 2.322 2.048 2.544 . 0 0 "[ . 1 . 2]" 2
37 1 13 VAL HA 1 14 VAL H . . 2.890 2.197 2.140 2.254 . 0 0 "[ . 1 . 2]" 2
38 1 14 VAL H 1 14 VAL HB . . 3.870 3.026 2.473 3.781 . 0 0 "[ . 1 . 2]" 2
39 1 14 VAL H 1 14 VAL QG . . 4.070 2.148 1.855 2.940 . 0 0 "[ . 1 . 2]" 2
40 1 42 ILE H 1 43 CYS H . . 4.560 4.570 4.529 4.599 0.039 16 0 "[ . 1 . 2]" 2
41 1 42 ILE H 1 49 ASN HA . . 4.670 4.237 3.943 4.462 . 0 0 "[ . 1 . 2]" 2
42 1 41 VAL HA 1 42 ILE H . . 2.670 2.228 2.181 2.269 . 0 0 "[ . 1 . 2]" 2
43 1 41 VAL HB 1 42 ILE H . . 4.580 4.460 4.410 4.493 . 0 0 "[ . 1 . 2]" 2
44 1 42 ILE H 1 42 ILE HB . . 3.030 2.432 2.361 2.485 . 0 0 "[ . 1 . 2]" 2
45 1 42 ILE H 1 42 ILE HG12 . . 3.570 2.556 2.444 2.665 . 0 0 "[ . 1 . 2]" 2
46 1 42 ILE H 1 42 ILE HG13 . . 4.000 3.893 3.755 3.990 . 0 0 "[ . 1 . 2]" 2
47 1 41 VAL MG1 1 42 ILE H . . 3.320 3.227 3.028 3.338 0.018 16 0 "[ . 1 . 2]" 2
48 1 42 ILE H 1 42 ILE MG . . 3.810 3.755 3.720 3.782 . 0 0 "[ . 1 . 2]" 2
49 1 30 PHE H 1 33 CYS H . . 5.500 4.891 4.575 5.421 . 0 0 "[ . 1 . 2]" 2
50 1 30 PHE QD 1 33 CYS H . . 3.940 3.110 1.878 3.766 . 0 0 "[ . 1 . 2]" 2
51 1 33 CYS H 1 33 CYS HB3 . . 2.990 2.741 2.512 2.968 . 0 0 "[ . 1 . 2]" 2
52 1 28 CYS QB 1 33 CYS H . . 5.000 4.659 4.359 4.918 . 0 0 "[ . 1 . 2]" 2
53 1 33 CYS H 1 34 THR MG . . 4.460 3.805 3.435 4.491 0.031 18 0 "[ . 1 . 2]" 2
54 1 16 GLU HA 1 17 ARG H . . 3.020 2.235 2.139 2.756 . 0 0 "[ . 1 . 2]" 2
55 1 17 ARG H 1 17 ARG QG . . 4.160 3.139 1.940 4.093 . 0 0 "[ . 1 . 2]" 2
56 1 77 LYS HA 1 78 LEU H . . 3.380 2.266 2.142 2.787 . 0 0 "[ . 1 . 2]" 2
57 1 78 LEU H 1 78 LEU HG . . 4.400 3.535 2.298 4.463 0.063 7 0 "[ . 1 . 2]" 2
58 1 73 ALA MB 1 74 ALA H . . 5.120 2.908 1.924 3.692 . 0 0 "[ . 1 . 2]" 2
59 1 24 LYS H 1 24 LYS QG . . 5.100 2.981 1.871 4.059 . 0 0 "[ . 1 . 2]" 2
60 1 65 LEU H 1 66 GLU H . . 4.820 4.636 4.552 4.650 . 0 0 "[ . 1 . 2]" 2
61 1 66 GLU H 1 66 GLU HG3 . . 4.720 3.958 2.601 4.691 . 0 0 "[ . 1 . 2]" 2
62 1 16 GLU H 1 16 GLU QG . . 5.000 3.299 2.080 4.399 . 0 0 "[ . 1 . 2]" 2
63 1 65 LEU HA 1 66 GLU H . . 2.880 2.401 2.308 2.579 . 0 0 "[ . 1 . 2]" 2
64 1 66 GLU H 1 66 GLU HB3 . . 3.670 2.956 2.547 3.662 . 0 0 "[ . 1 . 2]" 2
65 1 65 LEU QB 1 66 GLU H . . 3.750 2.432 2.024 2.684 . 0 0 "[ . 1 . 2]" 2
66 1 65 LEU MD2 1 66 GLU H . . 4.020 2.766 2.162 3.104 . 0 0 "[ . 1 . 2]" 2
67 1 78 LEU HA 1 79 VAL H . . 3.160 2.253 2.140 2.743 . 0 0 "[ . 1 . 2]" 2
68 1 79 VAL H 1 79 VAL HB . . 3.980 3.301 2.498 3.902 . 0 0 "[ . 1 . 2]" 2
69 1 18 PRO HA 1 19 LYS H . . 3.050 2.322 2.149 2.585 . 0 0 "[ . 1 . 2]" 2
70 1 15 LYS HA 1 16 GLU H . . 3.180 2.327 2.145 3.062 . 0 0 "[ . 1 . 2]" 2
71 1 49 ASN HA 1 50 PHE H . . 2.870 2.160 2.143 2.174 . 0 0 "[ . 1 . 2]" 2
72 1 42 ILE HA 1 50 PHE H . . 3.920 3.713 3.648 3.797 . 0 0 "[ . 1 . 2]" 2
73 1 50 PHE H 1 50 PHE HB3 . . 4.020 3.858 3.820 3.899 . 0 0 "[ . 1 . 2]" 2
74 1 50 PHE H 1 50 PHE QD . . 4.120 2.743 2.492 2.989 . 0 0 "[ . 1 . 2]" 2
75 1 41 VAL HB 1 50 PHE H . . 4.030 2.805 2.564 3.013 . 0 0 "[ . 1 . 2]" 2
76 1 19 LYS H 1 19 LYS QG . . 4.520 3.042 1.924 4.383 . 0 0 "[ . 1 . 2]" 2
77 1 29 SER H 1 50 PHE QD . . 4.420 2.899 2.615 3.268 . 0 0 "[ . 1 . 2]" 2
78 1 29 SER H 1 50 PHE HZ . . 5.500 5.503 5.470 5.536 0.036 15 0 "[ . 1 . 2]" 2
79 1 29 SER H 1 29 SER HG . . 4.330 3.794 1.948 4.335 0.005 10 0 "[ . 1 . 2]" 2
80 1 28 CYS HA 1 29 SER H . . 2.790 2.242 2.169 2.446 . 0 0 "[ . 1 . 2]" 2
81 1 29 SER H 1 29 SER QB . . 3.040 2.343 2.199 2.800 . 0 0 "[ . 1 . 2]" 2
82 1 29 SER H 1 30 PHE HB2 . . 5.100 4.472 4.271 4.689 . 0 0 "[ . 1 . 2]" 2
83 1 29 SER H 1 30 PHE HB3 . . 5.100 4.626 4.053 5.093 . 0 0 "[ . 1 . 2]" 2
84 1 29 SER H 1 51 CYS H . . 4.470 4.211 3.950 4.451 . 0 0 "[ . 1 . 2]" 2
85 1 29 SER H 1 50 PHE H . . 5.500 4.616 4.404 5.102 . 0 0 "[ . 1 . 2]" 2
86 1 29 SER H 1 50 PHE HA . . 3.270 2.241 2.023 2.551 . 0 0 "[ . 1 . 2]" 2
87 1 28 CYS QB 1 29 SER H . . 3.870 3.527 3.117 3.687 . 0 0 "[ . 1 . 2]" 2
88 1 50 PHE H 1 50 PHE HB2 . . 3.360 2.801 2.732 2.869 . 0 0 "[ . 1 . 2]" 2
89 1 41 VAL MG1 1 50 PHE H . . 4.080 3.519 3.347 3.690 . 0 0 "[ . 1 . 2]" 2
90 1 28 CYS HA 1 50 PHE H . . 5.300 4.624 4.393 4.779 . 0 0 "[ . 1 . 2]" 2
91 1 41 VAL HA 1 50 PHE H . . 5.500 4.655 4.398 4.850 . 0 0 "[ . 1 . 2]" 2
92 1 69 LYS H 1 70 PRO HD3 . . 5.040 4.687 2.706 5.058 0.018 19 0 "[ . 1 . 2]" 2
93 1 68 ALA HA 1 69 LYS H . . 2.840 2.265 2.140 2.825 . 0 0 "[ . 1 . 2]" 2
94 1 69 LYS H 1 69 LYS HB3 . . 3.920 3.398 2.300 3.903 . 0 0 "[ . 1 . 2]" 2
95 1 69 LYS H 1 69 LYS HB2 . . 3.920 2.888 2.198 3.844 . 0 0 "[ . 1 . 2]" 2
96 1 68 ALA MB 1 69 LYS H . . 3.610 3.112 2.262 3.673 0.063 13 0 "[ . 1 . 2]" 2
97 1 56 HIS QB 1 57 GLN H . . 5.010 2.664 1.927 3.228 . 0 0 "[ . 1 . 2]" 2
98 1 70 PRO HA 1 71 ARG H . . 3.390 3.283 2.444 3.509 0.119 17 0 "[ . 1 . 2]" 2
99 1 62 CYS HB3 1 65 LEU H . . 4.490 2.784 2.514 3.756 . 0 0 "[ . 1 . 2]" 2
100 1 64 LYS HB3 1 65 LEU H . . 4.960 3.575 3.378 4.441 . 0 0 "[ . 1 . 2]" 2
101 1 26 TYR H 1 26 TYR QE . . 4.740 4.519 4.350 4.689 . 0 0 "[ . 1 . 2]" 2
102 1 25 SER H 1 26 TYR H . . 4.390 4.267 4.111 4.459 0.069 13 0 "[ . 1 . 2]" 2
103 1 26 TYR H 1 26 TYR QD . . 3.350 2.515 2.197 2.795 . 0 0 "[ . 1 . 2]" 2
104 1 25 SER HA 1 26 TYR H . . 2.640 2.155 2.138 2.195 . 0 0 "[ . 1 . 2]" 2
105 1 25 SER QB 1 26 TYR H . . 3.280 3.192 3.056 3.316 0.036 13 0 "[ . 1 . 2]" 2
106 1 26 TYR H 1 26 TYR HB3 . . 3.900 3.722 3.666 3.825 . 0 0 "[ . 1 . 2]" 2
107 1 26 TYR H 1 26 TYR HB2 . . 3.200 2.593 2.508 2.779 . 0 0 "[ . 1 . 2]" 2
108 1 26 TYR H 1 37 GLU HB3 . . 5.500 5.389 5.150 5.504 0.004 6 0 "[ . 1 . 2]" 2
109 1 26 TYR H 1 36 VAL HB . . 4.280 3.084 2.595 3.585 . 0 0 "[ . 1 . 2]" 2
110 1 26 TYR H 1 36 VAL MG1 . . 4.430 3.935 3.331 4.395 . 0 0 "[ . 1 . 2]" 2
111 1 36 VAL HA 1 37 GLU H . . 2.920 2.465 2.362 2.624 . 0 0 "[ . 1 . 2]" 2
112 1 25 SER HA 1 37 GLU H . . 3.990 3.509 3.269 3.712 . 0 0 "[ . 1 . 2]" 2
113 1 25 SER QB 1 37 GLU H . . 4.340 3.644 3.191 4.055 . 0 0 "[ . 1 . 2]" 2
114 1 26 TYR HB3 1 37 GLU H . . 5.500 5.151 4.889 5.426 . 0 0 "[ . 1 . 2]" 2
115 1 37 GLU H 1 37 GLU HB3 . . 4.090 3.904 3.854 3.952 . 0 0 "[ . 1 . 2]" 2
116 1 36 VAL HB 1 37 GLU H . . 3.250 2.251 1.945 2.477 . 0 0 "[ . 1 . 2]" 2
117 1 26 TYR HB2 1 37 GLU H . . 4.230 3.723 3.400 3.983 . 0 0 "[ . 1 . 2]" 2
118 1 13 VAL H 1 13 VAL HB . . 3.770 2.974 2.442 3.567 . 0 0 "[ . 1 . 2]" 2
119 1 65 LEU QB 1 67 VAL H . . 4.810 2.957 2.650 3.453 . 0 0 "[ . 1 . 2]" 2
120 1 10 GLU H 1 11 VAL H . . 5.030 4.517 4.357 4.642 . 0 0 "[ . 1 . 2]" 2
121 1 11 VAL H 1 12 ASN H . . 5.410 4.107 3.802 4.351 . 0 0 "[ . 1 . 2]" 2
122 1 10 GLU HA 1 11 VAL H . . 3.520 2.433 2.270 2.621 . 0 0 "[ . 1 . 2]" 2
123 1 11 VAL H 1 11 VAL HB . . 3.940 3.187 2.703 3.607 . 0 0 "[ . 1 . 2]" 2
124 1 56 HIS H 1 56 HIS QB . . 3.020 2.248 2.134 2.490 . 0 0 "[ . 1 . 2]" 2
125 1 55 ARG HB2 1 56 HIS H . . 4.370 3.848 3.690 3.988 . 0 0 "[ . 1 . 2]" 2
126 1 55 ARG HG2 1 56 HIS H . . 4.230 2.190 1.968 2.571 . 0 0 "[ . 1 . 2]" 2
127 1 55 ARG HG3 1 56 HIS H . . 4.320 2.485 2.125 2.860 . 0 0 "[ . 1 . 2]" 2
128 1 37 GLU H 1 38 LEU H . . 4.420 4.372 4.323 4.404 . 0 0 "[ . 1 . 2]" 2
129 1 37 GLU HB3 1 38 LEU H . . 3.210 2.642 2.495 2.874 . 0 0 "[ . 1 . 2]" 2
130 1 38 LEU H 1 38 LEU HG . . 2.820 1.982 1.902 2.135 . 0 0 "[ . 1 . 2]" 2
131 1 37 GLU HA 1 38 LEU H . . 3.010 2.319 2.241 2.375 . 0 0 "[ . 1 . 2]" 2
132 1 38 LEU H 1 38 LEU MD2 . . 3.730 3.477 3.404 3.578 . 0 0 "[ . 1 . 2]" 2
133 1 55 ARG H 1 56 HIS H . . 3.650 2.525 2.435 2.639 . 0 0 "[ . 1 . 2]" 2
134 1 54 HIS H 1 55 ARG H . . 3.200 2.779 2.613 2.895 . 0 0 "[ . 1 . 2]" 2
135 1 53 ARG HA 1 55 ARG H . . 4.570 4.010 3.904 4.116 . 0 0 "[ . 1 . 2]" 2
136 1 52 LEU HA 1 55 ARG H . . 3.870 3.651 3.479 3.748 . 0 0 "[ . 1 . 2]" 2
137 1 54 HIS QB 1 55 ARG H . . 4.100 3.826 3.778 3.866 . 0 0 "[ . 1 . 2]" 2
138 1 55 ARG H 1 55 ARG HD3 . . 4.500 3.924 3.588 4.510 0.010 10 0 "[ . 1 . 2]" 2
139 1 50 PHE HB2 1 55 ARG H . . 4.690 4.594 4.389 4.722 0.032 2 0 "[ . 1 . 2]" 2
140 1 55 ARG H 1 55 ARG HB3 . . 3.260 2.468 2.375 2.562 . 0 0 "[ . 1 . 2]" 2
141 1 55 ARG H 1 55 ARG HG2 . . 3.710 2.299 2.134 2.481 . 0 0 "[ . 1 . 2]" 2
142 1 55 ARG H 1 55 ARG HG3 . . 4.180 3.558 3.260 3.739 . 0 0 "[ . 1 . 2]" 2
143 1 41 VAL MG1 1 55 ARG H . . 4.820 4.474 4.253 4.670 . 0 0 "[ . 1 . 2]" 2
144 1 52 LEU MD1 1 55 ARG H . . 4.890 4.815 4.598 4.922 0.032 17 0 "[ . 1 . 2]" 2
145 1 34 THR H 1 35 ASP H . . 3.140 2.721 1.842 3.195 0.055 15 0 "[ . 1 . 2]" 2
146 1 33 CYS HA 1 34 THR H . . 3.280 2.489 2.149 3.465 0.185 15 0 "[ . 1 . 2]" 2
147 1 33 CYS HB3 1 34 THR H . . 4.390 3.907 2.959 4.286 . 0 0 "[ . 1 . 2]" 2
148 1 33 CYS HB2 1 34 THR H . . 4.160 4.091 4.005 4.178 0.018 18 0 "[ . 1 . 2]" 2
149 1 34 THR H 1 34 THR MG . . 3.450 2.835 2.045 3.196 . 0 0 "[ . 1 . 2]" 2
150 1 51 CYS H 1 54 HIS H . . 4.430 3.474 3.365 3.586 . 0 0 "[ . 1 . 2]" 2
151 1 50 PHE H 1 51 CYS H . . 4.480 4.432 4.410 4.459 . 0 0 "[ . 1 . 2]" 2
152 1 50 PHE QD 1 51 CYS H . . 4.410 3.900 3.822 3.984 . 0 0 "[ . 1 . 2]" 2
153 1 50 PHE HA 1 51 CYS H . . 3.100 2.509 2.451 2.556 . 0 0 "[ . 1 . 2]" 2
154 1 28 CYS HA 1 51 CYS H . . 3.880 3.487 3.251 3.797 . 0 0 "[ . 1 . 2]" 2
155 1 51 CYS H 1 51 CYS HB2 . . 3.840 3.654 3.622 3.688 . 0 0 "[ . 1 . 2]" 2
156 1 50 PHE HB3 1 51 CYS H . . 3.260 2.261 2.182 2.371 . 0 0 "[ . 1 . 2]" 2
157 1 28 CYS QB 1 51 CYS H . . 3.380 3.148 2.800 3.332 . 0 0 "[ . 1 . 2]" 2
158 1 51 CYS H 1 51 CYS HB3 . . 3.380 2.668 2.588 2.752 . 0 0 "[ . 1 . 2]" 2
159 1 50 PHE HB2 1 51 CYS H . . 3.790 3.297 3.202 3.405 . 0 0 "[ . 1 . 2]" 2
160 1 52 LEU H 1 53 ARG H . . 3.330 2.977 2.876 3.029 . 0 0 "[ . 1 . 2]" 2
161 1 53 ARG H 1 55 ARG H . . 4.360 4.180 4.044 4.309 . 0 0 "[ . 1 . 2]" 2
162 1 51 CYS HA 1 53 ARG H . . 4.710 4.185 4.071 4.227 . 0 0 "[ . 1 . 2]" 2
163 1 51 CYS HB2 1 53 ARG H . . 3.870 3.101 3.033 3.194 . 0 0 "[ . 1 . 2]" 2
164 1 53 ARG H 1 54 HIS QB . . 4.960 4.905 4.812 4.974 0.014 20 0 "[ . 1 . 2]" 2
165 1 52 LEU HB2 1 53 ARG H . . 3.610 2.779 2.697 2.877 . 0 0 "[ . 1 . 2]" 2
166 1 53 ARG H 1 53 ARG HB2 . . 3.610 2.384 2.185 2.712 . 0 0 "[ . 1 . 2]" 2
167 1 53 ARG H 1 53 ARG HB3 . . 3.610 3.303 2.350 3.593 . 0 0 "[ . 1 . 2]" 2
168 1 52 LEU MD1 1 53 ARG H . . 4.740 4.632 4.564 4.682 . 0 0 "[ . 1 . 2]" 2
169 1 46 CYS H 1 48 LYS H . . 4.250 3.989 3.904 4.083 . 0 0 "[ . 1 . 2]" 2
170 1 46 CYS HA 1 48 LYS H . . 5.360 4.987 4.855 5.122 . 0 0 "[ . 1 . 2]" 2
171 1 48 LYS H 1 49 ASN HA . . 5.500 4.909 4.842 4.978 . 0 0 "[ . 1 . 2]" 2
172 1 43 CYS QB 1 48 LYS H . . 3.460 2.262 2.190 2.324 . 0 0 "[ . 1 . 2]" 2
173 1 26 TYR QD 1 27 SER H . . 4.450 4.253 4.003 4.441 . 0 0 "[ . 1 . 2]" 2
174 1 26 TYR HA 1 27 SER H . . 2.690 2.175 2.138 2.252 . 0 0 "[ . 1 . 2]" 2
175 1 27 SER H 1 27 SER HB3 . . 3.720 3.054 2.464 3.630 . 0 0 "[ . 1 . 2]" 2
176 1 26 TYR HB3 1 27 SER H . . 3.920 3.188 2.832 3.572 . 0 0 "[ . 1 . 2]" 2
177 1 26 TYR HB2 1 27 SER H . . 4.390 4.096 3.903 4.288 . 0 0 "[ . 1 . 2]" 2
178 1 27 SER H 1 36 VAL MG1 . . 4.460 3.453 2.982 3.936 . 0 0 "[ . 1 . 2]" 2
179 1 43 CYS H 1 48 LYS H . . 3.950 2.357 2.190 2.498 . 0 0 "[ . 1 . 2]" 2
180 1 47 GLU H 1 48 LYS H . . 3.350 2.799 2.725 2.854 . 0 0 "[ . 1 . 2]" 2
181 1 48 LYS H 1 50 PHE HZ . . 4.870 4.284 4.152 4.428 . 0 0 "[ . 1 . 2]" 2
182 1 48 LYS H 1 50 PHE QD . . 4.890 4.474 4.306 4.613 . 0 0 "[ . 1 . 2]" 2
183 1 48 LYS H 1 50 PHE QE . . 4.320 2.732 2.570 2.905 . 0 0 "[ . 1 . 2]" 2
184 1 47 GLU HA 1 48 LYS H . . 3.520 2.708 2.671 2.762 . 0 0 "[ . 1 . 2]" 2
185 1 46 CYS HB2 1 48 LYS H . . 4.400 4.214 4.037 4.384 . 0 0 "[ . 1 . 2]" 2
186 1 47 GLU QB 1 48 LYS H . . 4.250 3.883 3.864 3.895 . 0 0 "[ . 1 . 2]" 2
187 1 48 LYS H 1 48 LYS HB2 . . 3.180 2.609 2.541 2.728 . 0 0 "[ . 1 . 2]" 2
188 1 48 LYS H 1 48 LYS HG3 . . 3.550 3.297 3.087 3.453 . 0 0 "[ . 1 . 2]" 2
189 1 42 ILE MG 1 48 LYS H . . 4.000 2.977 2.778 3.218 . 0 0 "[ . 1 . 2]" 2
190 1 27 SER H 1 49 ASN HD21 . . 5.300 4.463 3.694 5.194 . 0 0 "[ . 1 . 2]" 2
191 1 44 PRO HB3 1 45 TYR H . . 4.640 4.534 4.526 4.539 . 0 0 "[ . 1 . 2]" 2
192 1 45 TYR H 1 45 TYR QD . . 3.200 2.261 2.217 2.291 . 0 0 "[ . 1 . 2]" 2
193 1 43 CYS HA 1 45 TYR H . . 4.350 3.576 3.556 3.594 . 0 0 "[ . 1 . 2]" 2
194 1 44 PRO HD2 1 45 TYR H . . 3.660 3.107 3.086 3.122 . 0 0 "[ . 1 . 2]" 2
195 1 43 CYS QB 1 45 TYR H . . 4.540 3.134 3.089 3.171 . 0 0 "[ . 1 . 2]" 2
196 1 45 TYR H 1 45 TYR HB2 . . 3.170 2.556 2.531 2.572 . 0 0 "[ . 1 . 2]" 2
197 1 45 TYR H 1 47 GLU QG . . 5.470 4.414 4.229 4.626 . 0 0 "[ . 1 . 2]" 2
198 1 44 PRO HG2 1 45 TYR H . . 3.910 3.454 3.426 3.473 . 0 0 "[ . 1 . 2]" 2
199 1 44 PRO HB2 1 45 TYR H . . 4.280 4.018 4.004 4.028 . 0 0 "[ . 1 . 2]" 2
200 1 64 LYS H 1 65 LEU H . . 3.300 2.782 2.613 2.991 . 0 0 "[ . 1 . 2]" 2
201 1 63 GLU HG2 1 64 LYS H . . 4.330 2.696 2.062 3.810 . 0 0 "[ . 1 . 2]" 2
202 1 63 GLU HG3 1 64 LYS H . . 4.330 2.604 1.917 4.117 . 0 0 "[ . 1 . 2]" 2
203 1 54 HIS H 1 54 HIS HD2 . . 4.690 3.808 3.338 4.241 . 0 0 "[ . 1 . 2]" 2
204 1 52 LEU HA 1 54 HIS H . . 4.740 4.407 4.138 4.565 . 0 0 "[ . 1 . 2]" 2
205 1 51 CYS HB2 1 54 HIS H . . 4.880 3.989 3.951 4.060 . 0 0 "[ . 1 . 2]" 2
206 1 54 HIS H 1 54 HIS QB . . 3.180 2.529 2.466 2.597 . 0 0 "[ . 1 . 2]" 2
207 1 51 CYS HB3 1 54 HIS H . . 4.620 4.377 4.352 4.414 . 0 0 "[ . 1 . 2]" 2
208 1 54 HIS H 1 55 ARG HB3 . . 4.520 4.299 4.086 4.398 . 0 0 "[ . 1 . 2]" 2
209 1 53 ARG HB2 1 54 HIS H . . 3.940 2.989 2.537 4.007 0.067 12 0 "[ . 1 . 2]" 2
210 1 53 ARG HB3 1 54 HIS H . . 3.940 3.268 2.507 3.901 . 0 0 "[ . 1 . 2]" 2
211 1 63 GLU H 1 64 LYS H . . 3.760 2.663 2.412 2.913 . 0 0 "[ . 1 . 2]" 2
212 1 62 CYS HA 1 64 LYS H . . 4.240 3.738 3.558 3.968 . 0 0 "[ . 1 . 2]" 2
213 1 46 CYS HB2 1 64 LYS H . . 5.140 4.783 4.593 4.990 . 0 0 "[ . 1 . 2]" 2
214 1 63 GLU QB 1 64 LYS H . . 4.060 3.466 3.277 3.616 . 0 0 "[ . 1 . 2]" 2
215 1 64 LYS H 1 64 LYS HB3 . . 3.830 3.588 3.548 3.627 . 0 0 "[ . 1 . 2]" 2
216 1 64 LYS H 1 64 LYS HB2 . . 3.300 2.460 2.290 2.572 . 0 0 "[ . 1 . 2]" 2
217 1 64 LYS H 1 64 LYS HG2 . . 3.670 2.269 2.072 2.609 . 0 0 "[ . 1 . 2]" 2
218 1 52 LEU H 1 54 HIS H . . 4.760 4.385 4.181 4.518 . 0 0 "[ . 1 . 2]" 2
219 1 51 CYS HA 1 52 LEU H . . 3.230 2.262 2.242 2.296 . 0 0 "[ . 1 . 2]" 2
220 1 51 CYS HB2 1 52 LEU H . . 3.210 2.833 2.742 2.895 . 0 0 "[ . 1 . 2]" 2
221 1 51 CYS HB3 1 52 LEU H . . 4.140 4.046 3.980 4.100 . 0 0 "[ . 1 . 2]" 2
222 1 37 GLU QG 1 52 LEU H . . 3.560 2.216 1.885 2.682 . 0 0 "[ . 1 . 2]" 2
223 1 52 LEU H 1 52 LEU HB2 . . 3.150 2.345 2.254 2.409 . 0 0 "[ . 1 . 2]" 2
224 1 52 LEU H 1 52 LEU HG . . 4.040 3.879 3.792 4.016 . 0 0 "[ . 1 . 2]" 2
225 1 52 LEU H 1 52 LEU MD1 . . 3.920 3.664 3.590 3.730 . 0 0 "[ . 1 . 2]" 2
226 1 41 VAL MG2 1 52 LEU H . . 4.600 3.416 3.202 3.649 . 0 0 "[ . 1 . 2]" 2
227 1 46 CYS H 1 47 GLU HA . . 4.500 4.516 4.445 4.554 0.054 18 0 "[ . 1 . 2]" 2
228 1 43 CYS QB 1 46 CYS H . . 4.020 2.758 2.687 2.821 . 0 0 "[ . 1 . 2]" 2
229 1 46 CYS H 1 46 CYS HB3 . . 3.990 2.906 2.858 2.945 . 0 0 "[ . 1 . 2]" 2
230 1 45 TYR HB2 1 46 CYS H . . 3.430 2.147 2.102 2.220 . 0 0 "[ . 1 . 2]" 2
231 1 46 CYS H 1 47 GLU QG . . 5.040 4.718 4.537 4.944 . 0 0 "[ . 1 . 2]" 2
232 1 46 CYS H 1 64 LYS HG3 . . 4.590 3.437 3.265 3.822 . 0 0 "[ . 1 . 2]" 2
233 1 46 CYS H 1 64 LYS HG2 . . 5.020 4.157 3.934 4.344 . 0 0 "[ . 1 . 2]" 2
234 1 46 CYS H 1 47 GLU H . . 3.040 2.299 2.220 2.334 . 0 0 "[ . 1 . 2]" 2
235 1 45 TYR HA 1 47 GLU H . . 4.640 4.254 4.202 4.334 . 0 0 "[ . 1 . 2]" 2
236 1 47 GLU H 1 47 GLU HA . . 2.750 2.276 2.274 2.277 . 0 0 "[ . 1 . 2]" 2
237 1 43 CYS QB 1 47 GLU H . . 3.940 2.806 2.710 2.857 . 0 0 "[ . 1 . 2]" 2
238 1 45 TYR HB2 1 47 GLU H . . 4.510 4.160 4.126 4.197 . 0 0 "[ . 1 . 2]" 2
239 1 47 GLU H 1 47 GLU QB . . 3.750 3.198 3.124 3.258 . 0 0 "[ . 1 . 2]" 2
240 1 47 GLU H 1 47 GLU QG . . 3.450 2.912 2.692 3.106 . 0 0 "[ . 1 . 2]" 2
241 1 47 GLU H 1 64 LYS HG3 . . 5.220 4.865 4.710 5.030 . 0 0 "[ . 1 . 2]" 2
242 1 42 ILE MG 1 47 GLU H . . 4.100 3.898 3.777 3.979 . 0 0 "[ . 1 . 2]" 2
243 1 49 ASN H 1 50 PHE H . . 4.940 4.505 4.451 4.530 . 0 0 "[ . 1 . 2]" 2
244 1 48 LYS H 1 49 ASN H . . 4.540 4.459 4.423 4.491 . 0 0 "[ . 1 . 2]" 2
245 1 48 LYS HA 1 49 ASN H . . 2.830 2.299 2.237 2.358 . 0 0 "[ . 1 . 2]" 2
246 1 29 SER QB 1 49 ASN H . . 4.590 3.212 2.888 3.883 . 0 0 "[ . 1 . 2]" 2
247 1 49 ASN H 1 49 ASN HB3 . . 3.100 2.456 2.344 2.558 . 0 0 "[ . 1 . 2]" 2
248 1 48 LYS HB2 1 49 ASN H . . 4.070 3.890 3.747 4.025 . 0 0 "[ . 1 . 2]" 2
249 1 48 LYS HG2 1 49 ASN H . . 4.340 4.058 3.934 4.255 . 0 0 "[ . 1 . 2]" 2
250 1 48 LYS HB3 1 49 ASN H . . 3.120 2.703 2.537 2.885 . 0 0 "[ . 1 . 2]" 2
251 1 42 ILE MG 1 49 ASN H . . 4.970 4.558 4.364 4.826 . 0 0 "[ . 1 . 2]" 2
252 1 42 ILE MD 1 49 ASN H . . 4.750 2.886 2.597 3.131 . 0 0 "[ . 1 . 2]" 2
253 1 35 ASP H 1 36 VAL H . . 4.760 4.519 4.447 4.645 . 0 0 "[ . 1 . 2]" 2
254 1 27 SER HA 1 36 VAL H . . 5.220 5.072 4.798 5.231 0.011 14 0 "[ . 1 . 2]" 2
255 1 35 ASP HB2 1 36 VAL H . . 4.080 4.033 3.820 4.095 0.015 9 0 "[ . 1 . 2]" 2
256 1 35 ASP HB3 1 36 VAL H . . 3.220 2.858 2.705 3.104 . 0 0 "[ . 1 . 2]" 2
257 1 36 VAL H 1 36 VAL MG2 . . 2.920 2.122 1.869 2.337 . 0 0 "[ . 1 . 2]" 2
258 1 24 LYS H 1 25 SER H . . 4.860 4.491 3.951 4.637 . 0 0 "[ . 1 . 2]" 2
259 1 24 LYS HA 1 25 SER H . . 2.760 2.288 2.141 2.572 . 0 0 "[ . 1 . 2]" 2
260 1 25 SER H 1 25 SER QB . . 3.540 2.901 2.506 3.227 . 0 0 "[ . 1 . 2]" 2
261 1 24 LYS QB 1 25 SER H . . 3.580 2.967 2.090 3.564 . 0 0 "[ . 1 . 2]" 2
262 1 24 LYS QG 1 25 SER H . . 4.390 3.451 1.967 4.396 0.006 13 0 "[ . 1 . 2]" 2
263 1 45 TYR HB2 1 57 GLN HE22 . . 4.460 4.017 3.508 4.392 . 0 0 "[ . 1 . 2]" 2
264 1 45 TYR HB3 1 57 GLN HE22 . . 4.470 3.606 3.245 3.999 . 0 0 "[ . 1 . 2]" 2
265 1 38 LEU H 1 39 VAL H . . 3.210 2.788 2.634 2.918 . 0 0 "[ . 1 . 2]" 2
266 1 37 GLU H 1 39 VAL H . . 5.440 5.182 5.008 5.353 . 0 0 "[ . 1 . 2]" 2
267 1 37 GLU HB3 1 39 VAL H . . 3.180 2.894 2.680 3.118 . 0 0 "[ . 1 . 2]" 2
268 1 39 VAL H 1 39 VAL HB . . 3.770 3.695 3.661 3.731 . 0 0 "[ . 1 . 2]" 2
269 1 39 VAL H 1 39 VAL MG2 . . 3.250 2.020 1.880 2.225 . 0 0 "[ . 1 . 2]" 2
270 1 39 VAL H 1 40 ALA H . . 4.690 4.513 4.449 4.569 . 0 0 "[ . 1 . 2]" 2
271 1 37 GLU HA 1 39 VAL H . . 4.580 4.341 4.090 4.510 . 0 0 "[ . 1 . 2]" 2
272 1 37 GLU HB2 1 39 VAL H . . 3.720 3.574 3.378 3.725 0.005 19 0 "[ . 1 . 2]" 2
273 1 38 LEU QB 1 39 VAL H . . 3.410 2.495 2.382 2.746 . 0 0 "[ . 1 . 2]" 2
274 1 41 VAL H 1 49 ASN HD21 . . 5.500 4.297 3.626 5.366 . 0 0 "[ . 1 . 2]" 2
275 1 49 ASN H 1 49 ASN HD21 . . 4.880 4.588 4.420 4.734 . 0 0 "[ . 1 . 2]" 2
276 1 26 TYR HB2 1 49 ASN HD21 . . 4.280 3.206 2.892 3.611 . 0 0 "[ . 1 . 2]" 2
277 1 49 ASN HD21 1 50 PHE H . . 4.540 3.681 3.270 4.302 . 0 0 "[ . 1 . 2]" 2
278 1 40 ALA HA 1 49 ASN HD21 . . 4.700 4.047 3.358 4.668 . 0 0 "[ . 1 . 2]" 2
279 1 26 TYR HB3 1 49 ASN HD21 . . 3.870 2.785 2.549 3.094 . 0 0 "[ . 1 . 2]" 2
280 1 49 ASN HB2 1 49 ASN HD21 . . 3.500 2.787 2.238 3.476 . 0 0 "[ . 1 . 2]" 2
281 1 40 ALA MB 1 49 ASN HD21 . . 4.520 4.090 3.251 4.494 . 0 0 "[ . 1 . 2]" 2
282 1 26 TYR HB3 1 49 ASN HD22 . . 3.850 2.394 1.907 2.713 . 0 0 "[ . 1 . 2]" 2
283 1 49 ASN HA 1 49 ASN HD21 . . 4.670 3.803 3.535 4.167 . 0 0 "[ . 1 . 2]" 2
284 1 26 TYR HA 1 49 ASN HD21 . . 5.500 4.818 4.419 5.196 . 0 0 "[ . 1 . 2]" 2
285 1 27 SER HA 1 49 ASN HD21 . . 5.500 5.057 4.545 5.507 0.007 11 0 "[ . 1 . 2]" 2
286 1 26 TYR HB2 1 49 ASN HD22 . . 4.220 2.712 1.914 3.473 . 0 0 "[ . 1 . 2]" 2
287 1 49 ASN HD22 1 50 PHE H . . 4.920 4.480 3.881 4.801 . 0 0 "[ . 1 . 2]" 2
288 1 27 SER H 1 49 ASN HD22 . . 4.730 3.828 3.275 4.488 . 0 0 "[ . 1 . 2]" 2
289 1 41 VAL H 1 49 ASN HD22 . . 5.310 4.653 3.560 5.350 0.040 18 0 "[ . 1 . 2]" 2
290 1 26 TYR HA 1 49 ASN HD22 . . 5.320 4.179 3.894 4.401 . 0 0 "[ . 1 . 2]" 2
291 1 27 SER HA 1 49 ASN HD22 . . 5.500 4.414 3.912 4.920 . 0 0 "[ . 1 . 2]" 2
292 1 43 CYS H 1 47 GLU H . . 4.230 4.004 3.895 4.126 . 0 0 "[ . 1 . 2]" 2
293 1 43 CYS H 1 50 PHE HZ . . 5.500 5.505 5.456 5.557 0.057 2 0 "[ . 1 . 2]" 2
294 1 43 CYS H 1 50 PHE QD . . 4.500 3.560 3.366 3.714 . 0 0 "[ . 1 . 2]" 2
295 1 43 CYS H 1 50 PHE QE . . 4.880 3.158 3.106 3.252 . 0 0 "[ . 1 . 2]" 2
296 1 42 ILE HA 1 43 CYS H . . 2.810 2.212 2.173 2.247 . 0 0 "[ . 1 . 2]" 2
297 1 43 CYS H 1 47 GLU HA . . 4.630 3.431 3.318 3.560 . 0 0 "[ . 1 . 2]" 2
298 1 43 CYS H 1 43 CYS QB . . 3.150 2.325 2.292 2.359 . 0 0 "[ . 1 . 2]" 2
299 1 43 CYS H 1 47 GLU QG . . 5.500 5.245 5.052 5.499 . 0 0 "[ . 1 . 2]" 2
300 1 43 CYS H 1 45 TYR H . . 5.280 4.752 4.695 4.804 . 0 0 "[ . 1 . 2]" 2
301 1 43 CYS H 1 50 PHE H . . 5.500 4.911 4.690 5.019 . 0 0 "[ . 1 . 2]" 2
302 1 31 LYS H 1 32 GLY H . . 4.540 4.113 3.997 4.276 . 0 0 "[ . 1 . 2]" 2
303 1 31 LYS HA 1 32 GLY H . . 2.780 2.257 2.192 2.330 . 0 0 "[ . 1 . 2]" 2
304 1 31 LYS HB2 1 32 GLY H . . 4.590 4.525 4.440 4.591 0.001 5 0 "[ . 1 . 2]" 2
305 1 31 LYS HB3 1 32 GLY H . . 4.590 4.506 4.464 4.537 . 0 0 "[ . 1 . 2]" 2
306 1 31 LYS HG2 1 32 GLY H . . 4.410 4.224 3.948 4.432 0.022 5 0 "[ . 1 . 2]" 2
307 1 31 LYS HG3 1 32 GLY H . . 4.410 3.900 3.491 4.236 . 0 0 "[ . 1 . 2]" 2
308 1 30 PHE QD 1 31 LYS H . . 3.830 3.006 2.495 3.714 . 0 0 "[ . 1 . 2]" 2
309 1 30 PHE HA 1 31 LYS H . . 2.730 2.270 2.139 2.510 . 0 0 "[ . 1 . 2]" 2
310 1 30 PHE HB2 1 31 LYS H . . 4.380 3.922 3.611 4.379 . 0 0 "[ . 1 . 2]" 2
311 1 30 PHE HB3 1 31 LYS H . . 4.380 3.968 3.274 4.221 . 0 0 "[ . 1 . 2]" 2
312 1 31 LYS H 1 31 LYS HB2 . . 3.410 2.737 2.576 2.937 . 0 0 "[ . 1 . 2]" 2
313 1 30 PHE QE 1 31 LYS H . . 4.760 3.942 3.375 4.742 . 0 0 "[ . 1 . 2]" 2
314 1 60 HIS H 1 60 HIS HD1 . . 4.130 3.375 3.256 3.545 . 0 0 "[ . 1 . 2]" 2
315 1 59 ASP H 1 60 HIS H . . 3.260 2.624 1.796 2.978 . 0 0 "[ . 1 . 2]" 2
316 1 60 HIS H 1 61 ASP HA . . 4.720 4.681 4.511 4.740 0.020 5 0 "[ . 1 . 2]" 2
317 1 58 SER HA 1 60 HIS H . . 4.510 4.380 4.114 4.504 . 0 0 "[ . 1 . 2]" 2
318 1 60 HIS H 1 60 HIS HB2 . . 4.190 3.672 3.656 3.723 . 0 0 "[ . 1 . 2]" 2
319 1 59 ASP HB3 1 60 HIS H . . 4.420 3.220 2.816 4.058 . 0 0 "[ . 1 . 2]" 2
320 1 60 HIS H 1 60 HIS HB3 . . 3.920 2.865 2.792 2.999 . 0 0 "[ . 1 . 2]" 2
321 1 57 GLN HA 1 60 HIS H . . 4.450 3.837 3.747 3.976 . 0 0 "[ . 1 . 2]" 2
322 1 60 HIS H 1 61 ASP H . . 3.440 2.727 2.565 2.883 . 0 0 "[ . 1 . 2]" 2
323 1 67 VAL H 1 68 ALA H . . 4.730 4.284 3.668 4.616 . 0 0 "[ . 1 . 2]" 2
324 1 41 VAL H 1 42 ILE H . . 4.440 4.155 4.037 4.296 . 0 0 "[ . 1 . 2]" 2
325 1 33 CYS H 1 34 THR H . . 4.370 3.698 1.813 4.339 . 0 0 "[ . 1 . 2]" 2
326 1 32 GLY H 1 33 CYS H . . 3.270 2.057 1.804 2.423 . 0 0 "[ . 1 . 2]" 2
327 1 26 TYR H 1 37 GLU H . . 3.620 2.446 2.227 2.652 . 0 0 "[ . 1 . 2]" 2
328 1 66 GLU H 1 67 VAL H . . 3.470 3.276 2.988 3.486 0.016 19 0 "[ . 1 . 2]" 2
329 1 53 ARG H 1 54 HIS H . . 3.000 2.676 2.574 2.740 . 0 0 "[ . 1 . 2]" 2
330 1 45 TYR H 1 47 GLU H . . 3.860 2.773 2.751 2.805 . 0 0 "[ . 1 . 2]" 2
331 1 45 TYR H 1 46 CYS H . . 3.160 2.402 2.338 2.454 . 0 0 "[ . 1 . 2]" 2
332 1 51 CYS H 1 54 HIS QB . . 3.320 2.761 2.544 2.854 . 0 0 "[ . 1 . 2]" 2
333 1 42 ILE MD 1 43 CYS H . . 4.480 3.336 3.213 3.428 . 0 0 "[ . 1 . 2]" 2
334 1 42 ILE H 1 42 ILE MD . . 3.900 3.523 3.386 3.622 . 0 0 "[ . 1 . 2]" 2
335 1 42 ILE MD 1 49 ASN HA . . 3.840 1.990 1.955 2.048 . 0 0 "[ . 1 . 2]" 2
336 1 42 ILE HA 1 42 ILE MD . . 3.580 2.021 1.927 2.172 . 0 0 "[ . 1 . 2]" 2
337 1 42 ILE MD 1 47 GLU HA . . 4.260 4.152 3.958 4.248 . 0 0 "[ . 1 . 2]" 2
338 1 42 ILE MD 1 49 ASN HB2 . . 4.220 2.231 1.874 2.611 . 0 0 "[ . 1 . 2]" 2
339 1 42 ILE MD 1 49 ASN HB3 . . 4.010 2.583 1.884 3.444 . 0 0 "[ . 1 . 2]" 2
340 1 42 ILE MD 1 47 GLU QB . . 4.700 4.569 4.398 4.705 0.005 1 0 "[ . 1 . 2]" 2
341 1 42 ILE MD 1 47 GLU QG . . 5.410 5.240 4.996 5.430 0.020 7 0 "[ . 1 . 2]" 2
342 1 42 ILE MD 1 48 LYS HB2 . . 5.500 4.930 4.808 5.072 . 0 0 "[ . 1 . 2]" 2
343 1 42 ILE HB 1 42 ILE MD . . 3.250 3.227 3.222 3.230 . 0 0 "[ . 1 . 2]" 2
344 1 50 PHE HB2 1 55 ARG HB2 . . 5.050 4.540 4.337 4.714 . 0 0 "[ . 1 . 2]" 2
345 1 31 LYS HA 1 32 GLY HA2 . . 4.650 4.343 4.314 4.386 . 0 0 "[ . 1 . 2]" 2
346 1 31 LYS HA 1 32 GLY HA3 . . 4.650 4.397 4.343 4.448 . 0 0 "[ . 1 . 2]" 2
347 1 50 PHE HB3 1 51 CYS HA . . 5.210 4.748 4.704 4.816 . 0 0 "[ . 1 . 2]" 2
348 1 50 PHE HB3 1 54 HIS H . . 4.910 4.220 4.072 4.332 . 0 0 "[ . 1 . 2]" 2
349 1 50 PHE HB3 1 55 ARG H . . 4.770 4.779 4.735 4.826 0.056 18 0 "[ . 1 . 2]" 2
350 1 50 PHE HB3 1 55 ARG HA . . 3.930 3.609 3.443 3.805 . 0 0 "[ . 1 . 2]" 2
351 1 49 ASN HA 1 50 PHE HB2 . . 5.120 4.650 4.621 4.689 . 0 0 "[ . 1 . 2]" 2
352 1 50 PHE HB2 1 51 CYS HA . . 5.500 4.855 4.770 4.946 . 0 0 "[ . 1 . 2]" 2
353 1 31 LYS HG3 1 32 GLY HA2 . . 5.120 4.827 4.419 5.094 . 0 0 "[ . 1 . 2]" 2
354 1 31 LYS HG2 1 32 GLY HA2 . . 5.120 4.653 4.288 4.969 . 0 0 "[ . 1 . 2]" 2
355 1 31 LYS HG2 1 32 GLY HA3 . . 5.120 4.040 3.824 4.266 . 0 0 "[ . 1 . 2]" 2
356 1 31 LYS HG3 1 32 GLY HA3 . . 5.120 4.790 4.300 5.126 0.006 15 0 "[ . 1 . 2]" 2
357 1 41 VAL MG1 1 50 PHE HB3 . . 5.500 4.761 4.597 4.934 . 0 0 "[ . 1 . 2]" 2
358 1 55 ARG H 1 55 ARG HD2 . . 4.770 4.567 4.169 4.717 . 0 0 "[ . 1 . 2]" 2
359 1 55 ARG HB2 1 55 ARG HD2 . . 3.880 2.477 2.244 2.703 . 0 0 "[ . 1 . 2]" 2
360 1 55 ARG HB3 1 55 ARG HD2 . . 3.820 2.706 2.366 2.860 . 0 0 "[ . 1 . 2]" 2
361 1 52 LEU MD1 1 55 ARG HD2 . . 3.700 2.590 2.017 3.016 . 0 0 "[ . 1 . 2]" 2
362 1 41 VAL MG1 1 55 ARG HD2 . . 3.550 3.276 2.870 3.548 . 0 0 "[ . 1 . 2]" 2
363 1 55 ARG HB2 1 55 ARG HD3 . . 3.870 3.375 3.231 3.731 . 0 0 "[ . 1 . 2]" 2
364 1 52 LEU MD1 1 55 ARG HD3 . . 3.680 2.306 1.973 3.215 . 0 0 "[ . 1 . 2]" 2
365 1 55 ARG HB3 1 55 ARG HD3 . . 3.800 2.720 2.416 3.544 . 0 0 "[ . 1 . 2]" 2
366 1 17 ARG HA 1 17 ARG QD . . 4.460 3.427 2.134 4.222 . 0 0 "[ . 1 . 2]" 2
367 1 71 ARG HA 1 71 ARG QD . . 4.570 3.717 2.176 4.490 . 0 0 "[ . 1 . 2]" 2
368 1 53 ARG H 1 53 ARG QD . . 4.560 3.978 2.096 4.517 . 0 0 "[ . 1 . 2]" 2
369 1 53 ARG HA 1 53 ARG QD . . 4.090 2.947 2.007 4.016 . 0 0 "[ . 1 . 2]" 2
370 1 53 ARG HB2 1 53 ARG QD . . 3.820 2.824 2.119 3.497 . 0 0 "[ . 1 . 2]" 2
371 1 48 LYS HE2 1 48 LYS HG2 . . 3.820 2.968 2.441 3.767 . 0 0 "[ . 1 . 2]" 2
372 1 48 LYS HE2 1 48 LYS HG3 . . 3.670 2.785 2.337 3.653 . 0 0 "[ . 1 . 2]" 2
373 1 48 LYS HE3 1 48 LYS HG2 . . 3.820 3.379 2.610 3.828 0.008 4 0 "[ . 1 . 2]" 2
374 1 48 LYS HE3 1 48 LYS HG3 . . 3.670 3.062 2.243 3.666 . 0 0 "[ . 1 . 2]" 2
375 1 64 LYS H 1 65 LEU QB . . 4.810 4.545 4.249 4.795 . 0 0 "[ . 1 . 2]" 2
376 1 62 CYS H 1 65 LEU QB . . 5.100 4.503 4.154 4.830 . 0 0 "[ . 1 . 2]" 2
377 1 65 LEU QB 1 67 VAL HB . . 5.500 3.777 2.981 5.441 . 0 0 "[ . 1 . 2]" 2
378 1 65 LEU H 1 65 LEU QB . . 3.040 2.345 2.214 2.425 . 0 0 "[ . 1 . 2]" 2
379 1 65 LEU QB 1 66 GLU HA . . 4.610 4.262 4.049 4.339 . 0 0 "[ . 1 . 2]" 2
380 1 62 CYS HB3 1 65 LEU QB . . 3.590 2.915 2.341 3.260 . 0 0 "[ . 1 . 2]" 2
381 1 65 LEU QB 1 65 LEU HG . . 2.680 2.394 2.353 2.414 . 0 0 "[ . 1 . 2]" 2
382 1 64 LYS HA 1 64 LYS HE2 . . 5.450 4.650 4.524 4.854 . 0 0 "[ . 1 . 2]" 2
383 1 38 LEU H 1 38 LEU QB . . 3.120 2.576 2.497 2.611 . 0 0 "[ . 1 . 2]" 2
384 1 37 GLU HA 1 38 LEU QB . . 4.700 4.678 4.584 4.742 0.042 19 0 "[ . 1 . 2]" 2
385 1 37 GLU HB3 1 38 LEU QB . . 4.550 4.253 4.111 4.421 . 0 0 "[ . 1 . 2]" 2
386 1 64 LYS HE2 1 64 LYS HG2 . . 4.100 3.694 2.830 4.112 0.012 3 0 "[ . 1 . 2]" 2
387 1 64 LYS HA 1 64 LYS HE3 . . 5.450 4.197 3.402 4.828 . 0 0 "[ . 1 . 2]" 2
388 1 64 LYS HE3 1 64 LYS HG2 . . 4.100 3.603 3.326 3.942 . 0 0 "[ . 1 . 2]" 2
389 1 59 ASP H 1 59 ASP HB2 . . 4.190 2.523 2.186 3.810 . 0 0 "[ . 1 . 2]" 2
390 1 54 HIS HA 1 59 ASP HB2 . . 3.720 3.156 2.454 3.675 . 0 0 "[ . 1 . 2]" 2
391 1 24 LYS QE 1 24 LYS QG . . 3.440 2.195 2.029 2.491 . 0 0 "[ . 1 . 2]" 2
392 1 59 ASP HB2 1 60 HIS H . . 4.420 2.853 2.479 3.901 . 0 0 "[ . 1 . 2]" 2
393 1 59 ASP H 1 59 ASP HB3 . . 4.190 3.473 3.022 3.743 . 0 0 "[ . 1 . 2]" 2
394 1 54 HIS HA 1 59 ASP HB3 . . 3.720 2.212 1.984 3.683 . 0 0 "[ . 1 . 2]" 2
395 1 35 ASP H 1 35 ASP HB2 . . 3.390 2.445 2.257 2.782 . 0 0 "[ . 1 . 2]" 2
396 1 35 ASP HB2 1 51 CYS HB2 . . 4.220 3.883 3.413 4.265 0.045 15 0 "[ . 1 . 2]" 2
397 1 35 ASP H 1 35 ASP HB3 . . 3.670 3.596 2.827 3.704 0.034 16 0 "[ . 1 . 2]" 2
398 1 35 ASP HB3 1 36 VAL MG1 . . 5.490 4.854 4.696 5.047 . 0 0 "[ . 1 . 2]" 2
399 1 52 LEU HB2 1 52 LEU MD2 . . 3.260 2.325 2.181 2.440 . 0 0 "[ . 1 . 2]" 2
400 1 52 LEU H 1 52 LEU HB3 . . 3.630 3.576 3.536 3.600 . 0 0 "[ . 1 . 2]" 2
401 1 52 LEU HB3 1 53 ARG H . . 4.070 3.346 3.230 3.454 . 0 0 "[ . 1 . 2]" 2
402 1 52 LEU HB3 1 52 LEU HG . . 2.940 2.441 2.388 2.473 . 0 0 "[ . 1 . 2]" 2
403 1 52 LEU HB3 1 52 LEU MD2 . . 3.220 3.191 3.175 3.196 . 0 0 "[ . 1 . 2]" 2
404 1 49 ASN HB2 1 50 PHE H . . 4.490 3.748 3.288 4.299 . 0 0 "[ . 1 . 2]" 2
405 1 49 ASN H 1 49 ASN HB2 . . 3.660 3.213 2.663 3.644 . 0 0 "[ . 1 . 2]" 2
406 1 42 ILE HA 1 49 ASN HB2 . . 4.540 4.011 3.835 4.151 . 0 0 "[ . 1 . 2]" 2
407 1 49 ASN HB3 1 50 PHE H . . 4.630 4.278 4.063 4.439 . 0 0 "[ . 1 . 2]" 2
408 1 42 ILE HA 1 49 ASN HB3 . . 5.260 4.557 3.868 5.257 . 0 0 "[ . 1 . 2]" 2
409 1 48 LYS HA 1 49 ASN HB3 . . 5.500 4.441 4.172 4.791 . 0 0 "[ . 1 . 2]" 2
410 1 30 PHE HB2 1 50 PHE QD . . 4.690 2.677 2.314 3.117 . 0 0 "[ . 1 . 2]" 2
411 1 30 PHE HB2 1 33 CYS HB3 . . 4.090 3.941 3.460 4.092 0.002 12 0 "[ . 1 . 2]" 2
412 1 28 CYS QB 1 30 PHE HB2 . . 5.000 4.569 3.883 4.951 . 0 0 "[ . 1 . 2]" 2
413 1 30 PHE HB3 1 50 PHE QD . . 4.690 3.853 3.424 4.679 . 0 0 "[ . 1 . 2]" 2
414 1 30 PHE HB3 1 33 CYS HB3 . . 4.090 2.239 2.014 2.414 . 0 0 "[ . 1 . 2]" 2
415 1 26 TYR HB3 1 40 ALA HA . . 4.520 3.771 3.475 4.013 . 0 0 "[ . 1 . 2]" 2
416 1 26 TYR HB2 1 37 GLU HB2 . . 4.420 4.214 3.763 4.417 . 0 0 "[ . 1 . 2]" 2
417 1 26 TYR HB2 1 41 VAL H . . 5.340 4.401 4.146 4.624 . 0 0 "[ . 1 . 2]" 2
418 1 42 ILE HB 1 43 CYS H . . 4.200 4.045 3.943 4.162 . 0 0 "[ . 1 . 2]" 2
419 1 41 VAL MG1 1 42 ILE HB . . 5.500 4.951 4.870 5.020 . 0 0 "[ . 1 . 2]" 2
420 1 45 TYR HB3 1 64 LYS H . . 4.870 4.493 4.224 4.736 . 0 0 "[ . 1 . 2]" 2
421 1 45 TYR HB2 1 57 GLN HE21 . . 4.190 3.229 2.900 3.601 . 0 0 "[ . 1 . 2]" 2
422 1 45 TYR HB2 1 64 LYS HB3 . . 4.830 4.501 4.266 4.639 . 0 0 "[ . 1 . 2]" 2
423 1 45 TYR HB2 1 64 LYS HB2 . . 4.150 3.416 3.136 3.577 . 0 0 "[ . 1 . 2]" 2
424 1 45 TYR H 1 45 TYR HB3 . . 3.670 3.718 3.704 3.728 0.058 15 0 "[ . 1 . 2]" 2
425 1 45 TYR HB3 1 46 CYS H . . 3.810 3.218 3.161 3.286 . 0 0 "[ . 1 . 2]" 2
426 1 45 TYR HB3 1 57 GLN HE21 . . 4.210 3.346 3.066 3.629 . 0 0 "[ . 1 . 2]" 2
427 1 45 TYR HB3 1 64 LYS HB2 . . 3.860 2.338 1.993 2.532 . 0 0 "[ . 1 . 2]" 2
428 1 46 CYS HA 1 47 GLU QG . . 4.990 4.554 4.307 4.851 . 0 0 "[ . 1 . 2]" 2
429 1 30 PHE QD 1 54 HIS HE1 . . 3.930 3.335 2.725 3.859 . 0 0 "[ . 1 . 2]" 2
430 1 33 CYS HA 1 54 HIS HE1 . . 4.470 3.963 3.199 4.494 0.024 18 0 "[ . 1 . 2]" 2
431 1 33 CYS HB2 1 54 HIS HE1 . . 3.330 2.411 2.197 2.682 . 0 0 "[ . 1 . 2]" 2
432 1 57 GLN HA 1 57 GLN HG2 . . 4.040 2.344 2.209 2.435 . 0 0 "[ . 1 . 2]" 2
433 1 57 GLN HB3 1 60 HIS HE1 . . 5.230 5.010 4.797 5.198 . 0 0 "[ . 1 . 2]" 2
434 1 43 CYS H 1 60 HIS HE1 . . 5.500 5.435 5.359 5.536 0.036 2 0 "[ . 1 . 2]" 2
435 1 50 PHE QD 1 60 HIS HE1 . . 4.910 4.039 3.798 4.179 . 0 0 "[ . 1 . 2]" 2
436 1 57 GLN HA 1 57 GLN HG3 . . 4.040 2.904 2.826 3.002 . 0 0 "[ . 1 . 2]" 2
437 1 57 GLN HG3 1 65 LEU MD1 . . 5.370 4.718 4.450 4.976 . 0 0 "[ . 1 . 2]" 2
438 1 57 GLN HG3 1 65 LEU MD2 . . 5.500 4.722 4.315 4.991 . 0 0 "[ . 1 . 2]" 2
439 1 57 GLN HG2 1 65 LEU MD1 . . 5.370 4.060 3.632 4.318 . 0 0 "[ . 1 . 2]" 2
440 1 57 GLN HG2 1 65 LEU MD2 . . 5.500 4.405 4.023 4.621 . 0 0 "[ . 1 . 2]" 2
441 1 50 PHE QE 1 60 HIS HE1 . . 4.730 3.921 3.657 4.096 . 0 0 "[ . 1 . 2]" 2
442 1 43 CYS HA 1 60 HIS HE1 . . 4.710 4.388 4.242 4.524 . 0 0 "[ . 1 . 2]" 2
443 1 43 CYS QB 1 60 HIS HE1 . . 3.230 2.652 2.580 2.768 . 0 0 "[ . 1 . 2]" 2
444 1 57 GLN HA 1 60 HIS HE1 . . 3.440 2.548 2.399 2.690 . 0 0 "[ . 1 . 2]" 2
445 1 57 GLN HG3 1 60 HIS HE1 . . 4.420 4.037 3.906 4.206 . 0 0 "[ . 1 . 2]" 2
446 1 60 HIS HE1 1 62 CYS HB2 . . 4.710 3.998 3.698 4.216 . 0 0 "[ . 1 . 2]" 2
447 1 57 GLN HG2 1 60 HIS HE1 . . 4.420 3.494 3.194 3.737 . 0 0 "[ . 1 . 2]" 2
448 1 57 GLN HB2 1 60 HIS HE1 . . 5.230 5.217 5.165 5.247 0.017 9 0 "[ . 1 . 2]" 2
449 1 46 CYS HB2 1 63 GLU HG3 . . 4.950 4.435 3.705 4.829 . 0 0 "[ . 1 . 2]" 2
450 1 63 GLU H 1 63 GLU HG3 . . 4.040 3.304 1.890 4.012 . 0 0 "[ . 1 . 2]" 2
451 1 63 GLU HA 1 63 GLU HG3 . . 4.020 3.811 3.580 4.175 0.155 8 0 "[ . 1 . 2]" 2
452 1 46 CYS HB3 1 63 GLU HG3 . . 4.610 3.717 2.747 4.464 . 0 0 "[ . 1 . 2]" 2
453 1 63 GLU HG3 1 64 LYS HG2 . . 4.700 2.894 2.059 4.084 . 0 0 "[ . 1 . 2]" 2
454 1 63 GLU H 1 63 GLU HG2 . . 4.040 2.454 2.034 3.357 . 0 0 "[ . 1 . 2]" 2
455 1 63 GLU HA 1 63 GLU HG2 . . 4.020 3.752 3.548 4.176 0.156 4 0 "[ . 1 . 2]" 2
456 1 46 CYS HB2 1 63 GLU HG2 . . 4.950 3.709 2.823 4.682 . 0 0 "[ . 1 . 2]" 2
457 1 46 CYS HB3 1 63 GLU HG2 . . 4.610 3.089 2.479 3.878 . 0 0 "[ . 1 . 2]" 2
458 1 20 THR HB 1 21 ASP H . . 4.430 3.624 2.202 4.427 . 0 0 "[ . 1 . 2]" 2
459 1 66 GLU H 1 66 GLU HG2 . . 4.720 3.734 1.904 4.683 . 0 0 "[ . 1 . 2]" 2
460 1 66 GLU HA 1 66 GLU HG3 . . 4.180 3.088 2.177 4.208 0.028 10 0 "[ . 1 . 2]" 2
461 1 37 GLU QG 1 38 LEU H . . 4.400 4.289 3.969 4.418 0.018 9 0 "[ . 1 . 2]" 2
462 1 37 GLU QG 1 51 CYS HA . . 3.280 2.638 2.129 3.155 . 0 0 "[ . 1 . 2]" 2
463 1 37 GLU H 1 37 GLU QG . . 4.120 3.314 3.049 3.776 . 0 0 "[ . 1 . 2]" 2
464 1 37 GLU QG 1 39 VAL H . . 4.840 4.791 4.647 4.842 0.002 9 0 "[ . 1 . 2]" 2
465 1 36 VAL H 1 36 VAL HB . . 3.840 3.803 3.743 3.894 0.054 15 0 "[ . 1 . 2]" 2
466 1 48 LYS HB2 1 50 PHE HZ . . 4.480 2.036 1.999 2.086 . 0 0 "[ . 1 . 2]" 2
467 1 48 LYS HB2 1 50 PHE QE . . 4.190 2.074 1.995 2.170 . 0 0 "[ . 1 . 2]" 2
468 1 48 LYS H 1 48 LYS HB3 . . 4.020 3.758 3.711 3.828 . 0 0 "[ . 1 . 2]" 2
469 1 48 LYS HB3 1 50 PHE QE . . 4.460 3.220 3.018 3.418 . 0 0 "[ . 1 . 2]" 2
470 1 43 CYS QB 1 48 LYS HB2 . . 5.170 3.458 3.323 3.553 . 0 0 "[ . 1 . 2]" 2
471 1 23 HIS HA 1 24 LYS QB . . 4.610 4.303 3.974 4.630 0.020 9 0 "[ . 1 . 2]" 2
472 1 15 LYS HB2 1 16 GLU H . . 5.260 3.913 2.388 4.656 . 0 0 "[ . 1 . 2]" 2
473 1 15 LYS HB3 1 16 GLU H . . 5.260 3.530 2.155 4.391 . 0 0 "[ . 1 . 2]" 2
474 1 37 GLU HB2 1 39 VAL MG2 . . 4.570 3.450 3.178 3.766 . 0 0 "[ . 1 . 2]" 2
475 1 37 GLU HB2 1 38 LEU H . . 3.920 3.795 3.594 3.949 0.029 9 0 "[ . 1 . 2]" 2
476 1 37 GLU H 1 37 GLU HB2 . . 3.710 2.871 2.796 2.954 . 0 0 "[ . 1 . 2]" 2
477 1 43 CYS HA 1 45 TYR QD . . 4.700 3.939 3.878 4.020 . 0 0 "[ . 1 . 2]" 2
478 1 45 TYR QD 1 64 LYS HB3 . . 4.510 3.378 3.175 3.705 . 0 0 "[ . 1 . 2]" 2
479 1 26 TYR QD 1 37 GLU HB2 . . 4.960 4.330 3.993 4.566 . 0 0 "[ . 1 . 2]" 2
480 1 44 PRO HG2 1 45 TYR QD . . 3.900 2.174 2.097 2.231 . 0 0 "[ . 1 . 2]" 2
481 1 44 PRO HB2 1 45 TYR QD . . 4.370 3.815 3.729 3.880 . 0 0 "[ . 1 . 2]" 2
482 1 45 TYR QD 1 46 CYS H . . 4.230 3.819 3.793 3.854 . 0 0 "[ . 1 . 2]" 2
483 1 45 TYR QD 1 57 GLN HE21 . . 4.120 3.262 3.125 3.473 . 0 0 "[ . 1 . 2]" 2
484 1 45 TYR QD 1 57 GLN HE22 . . 4.240 2.458 2.260 2.703 . 0 0 "[ . 1 . 2]" 2
485 1 45 TYR HA 1 45 TYR QD . . 3.260 3.176 3.170 3.181 . 0 0 "[ . 1 . 2]" 2
486 1 44 PRO HD2 1 45 TYR QD . . 3.620 2.430 2.413 2.466 . 0 0 "[ . 1 . 2]" 2
487 1 45 TYR QD 1 57 GLN HG3 . . 4.070 3.704 3.445 3.877 . 0 0 "[ . 1 . 2]" 2
488 1 45 TYR QD 1 57 GLN HG2 . . 4.070 3.528 3.376 3.678 . 0 0 "[ . 1 . 2]" 2
489 1 44 PRO HG3 1 45 TYR QD . . 4.410 3.782 3.731 3.824 . 0 0 "[ . 1 . 2]" 2
490 1 26 TYR QD 1 40 ALA HA . . 4.280 3.110 2.516 3.448 . 0 0 "[ . 1 . 2]" 2
491 1 26 TYR QD 1 40 ALA MB . . 3.790 2.679 2.512 2.770 . 0 0 "[ . 1 . 2]" 2
492 1 26 TYR QD 1 39 VAL H . . 4.470 4.282 4.018 4.420 . 0 0 "[ . 1 . 2]" 2
493 1 26 TYR QD 1 49 ASN HD21 . . 4.930 4.485 4.327 4.757 . 0 0 "[ . 1 . 2]" 2
494 1 26 TYR HA 1 26 TYR QD . . 3.200 2.987 2.692 3.146 . 0 0 "[ . 1 . 2]" 2
495 1 26 TYR QD 1 39 VAL HA . . 4.090 3.589 3.180 3.825 . 0 0 "[ . 1 . 2]" 2
496 1 26 TYR QD 1 37 GLU HB3 . . 5.500 5.302 4.820 5.513 0.013 2 0 "[ . 1 . 2]" 2
497 1 26 TYR QD 1 49 ASN HB3 . . 5.500 4.679 4.268 5.317 . 0 0 "[ . 1 . 2]" 2
498 1 24 LYS QB 1 26 TYR QD . . 4.850 4.347 3.866 4.810 . 0 0 "[ . 1 . 2]" 2
499 1 26 TYR QD 1 39 VAL MG1 . . 5.380 5.174 4.869 5.338 . 0 0 "[ . 1 . 2]" 2
500 1 67 VAL H 1 67 VAL HB . . 3.700 3.048 2.540 3.749 0.049 8 0 "[ . 1 . 2]" 2
501 1 43 CYS QB 1 50 PHE HZ . . 4.500 3.958 3.845 4.069 . 0 0 "[ . 1 . 2]" 2
502 1 42 ILE HA 1 43 CYS QB . . 4.630 4.047 4.031 4.062 . 0 0 "[ . 1 . 2]" 2
503 1 43 CYS QB 1 50 PHE QD . . 4.050 2.892 2.633 3.109 . 0 0 "[ . 1 . 2]" 2
504 1 43 CYS QB 1 50 PHE QE . . 3.940 2.178 2.042 2.290 . 0 0 "[ . 1 . 2]" 2
505 1 69 LYS HB3 1 70 PRO HD3 . . 5.000 4.204 3.459 4.941 . 0 0 "[ . 1 . 2]" 2
506 1 69 LYS HB3 1 70 PRO HD2 . . 5.000 3.080 2.015 4.796 . 0 0 "[ . 1 . 2]" 2
507 1 69 LYS HB2 1 70 PRO HD3 . . 5.000 4.623 3.691 4.960 . 0 0 "[ . 1 . 2]" 2
508 1 69 LYS HB2 1 70 PRO HD2 . . 5.000 3.620 2.303 4.711 . 0 0 "[ . 1 . 2]" 2
509 1 43 CYS QB 1 44 PRO HD2 . . 4.750 3.568 3.527 3.619 . 0 0 "[ . 1 . 2]" 2
510 1 43 CYS QB 1 47 GLU HA . . 4.980 3.752 3.681 3.827 . 0 0 "[ . 1 . 2]" 2
511 1 64 LYS HB2 1 65 LEU H . . 4.850 2.658 2.473 4.033 . 0 0 "[ . 1 . 2]" 2
512 1 46 CYS HB3 1 64 LYS HB2 . . 4.780 3.976 3.595 4.216 . 0 0 "[ . 1 . 2]" 2
513 1 46 CYS HB2 1 63 GLU H . . 4.830 4.588 3.962 4.846 0.016 16 0 "[ . 1 . 2]" 2
514 1 46 CYS HB2 1 47 GLU H . . 4.290 4.139 4.041 4.179 . 0 0 "[ . 1 . 2]" 2
515 1 46 CYS HB2 1 47 GLU QB . . 4.800 4.777 4.690 4.817 0.017 16 0 "[ . 1 . 2]" 2
516 1 46 CYS HB2 1 48 LYS HG2 . . 4.390 4.155 3.998 4.335 . 0 0 "[ . 1 . 2]" 2
517 1 46 CYS HB2 1 64 LYS HG2 . . 4.110 3.997 3.718 4.122 0.012 18 0 "[ . 1 . 2]" 2
518 1 46 CYS HB3 1 63 GLU H . . 4.780 3.583 2.953 3.929 . 0 0 "[ . 1 . 2]" 2
519 1 46 CYS HB3 1 64 LYS H . . 3.940 3.246 3.028 3.380 . 0 0 "[ . 1 . 2]" 2
520 1 46 CYS HB3 1 64 LYS HG2 . . 4.140 2.705 2.448 2.847 . 0 0 "[ . 1 . 2]" 2
521 1 28 CYS QB 1 50 PHE HA . . 4.100 3.608 3.455 3.798 . 0 0 "[ . 1 . 2]" 2
522 1 27 SER HA 1 28 CYS QB . . 4.480 4.097 4.083 4.117 . 0 0 "[ . 1 . 2]" 2
523 1 28 CYS QB 1 34 THR HA . . 4.700 4.128 3.471 4.642 . 0 0 "[ . 1 . 2]" 2
524 1 28 CYS QB 1 33 CYS HB3 . . 3.170 2.727 2.437 2.899 . 0 0 "[ . 1 . 2]" 2
525 1 28 CYS QB 1 51 CYS HB3 . . 3.090 2.417 2.186 2.739 . 0 0 "[ . 1 . 2]" 2
526 1 28 CYS QB 1 30 PHE HB3 . . 5.000 3.563 3.313 3.814 . 0 0 "[ . 1 . 2]" 2
527 1 28 CYS QB 1 35 ASP HB3 . . 5.080 4.303 2.405 4.782 . 0 0 "[ . 1 . 2]" 2
528 1 28 CYS QB 1 36 VAL MG1 . . 4.850 4.499 4.133 4.857 0.007 2 0 "[ . 1 . 2]" 2
529 1 46 CYS HA 1 64 LYS HB3 . . 5.440 5.178 4.909 5.404 . 0 0 "[ . 1 . 2]" 2
530 1 45 TYR HB3 1 64 LYS HB3 . . 4.050 2.902 2.715 3.032 . 0 0 "[ . 1 . 2]" 2
531 1 57 GLN HE22 1 64 LYS HB2 . . 4.840 4.045 3.603 4.480 . 0 0 "[ . 1 . 2]" 2
532 1 46 CYS HA 1 64 LYS HB2 . . 4.780 4.617 4.097 4.790 0.010 4 0 "[ . 1 . 2]" 2
533 1 57 GLN HE21 1 64 LYS HB2 . . 4.620 3.465 3.108 3.786 . 0 0 "[ . 1 . 2]" 2
534 1 50 PHE QD 1 54 HIS QB . . 4.350 3.336 3.181 3.592 . 0 0 "[ . 1 . 2]" 2
535 1 54 HIS QB 1 60 HIS HB3 . . 3.720 2.198 1.982 2.611 . 0 0 "[ . 1 . 2]" 2
536 1 46 CYS HB3 1 63 GLU QB . . 5.000 4.735 4.404 5.014 0.014 19 0 "[ . 1 . 2]" 2
537 1 50 PHE HB2 1 54 HIS QB . . 4.430 3.817 3.522 4.071 . 0 0 "[ . 1 . 2]" 2
538 1 41 VAL HB 1 55 ARG HA . . 4.490 3.830 3.542 4.098 . 0 0 "[ . 1 . 2]" 2
539 1 30 PHE QD 1 33 CYS HB3 . . 3.910 2.550 1.991 3.152 . 0 0 "[ . 1 . 2]" 2
540 1 28 CYS QB 1 33 CYS HB2 . . 4.120 4.016 3.786 4.164 0.044 11 0 "[ . 1 . 2]" 2
541 1 33 CYS HB3 1 54 HIS HE1 . . 4.020 3.954 3.722 4.034 0.014 11 0 "[ . 1 . 2]" 2
542 1 30 PHE H 1 33 CYS HB2 . . 5.010 4.791 4.378 5.034 0.024 2 0 "[ . 1 . 2]" 2
543 1 33 CYS H 1 33 CYS HB2 . . 3.430 3.279 2.543 3.483 0.053 18 0 "[ . 1 . 2]" 2
544 1 30 PHE HA 1 31 LYS HB2 . . 4.800 4.577 4.476 4.675 . 0 0 "[ . 1 . 2]" 2
545 1 31 LYS H 1 31 LYS HB3 . . 3.410 2.408 2.346 2.496 . 0 0 "[ . 1 . 2]" 2
546 1 30 PHE HA 1 31 LYS HB3 . . 4.800 4.620 4.495 4.760 . 0 0 "[ . 1 . 2]" 2
547 1 57 GLN HB3 1 65 LEU MD1 . . 3.750 2.098 1.946 2.468 . 0 0 "[ . 1 . 2]" 2
548 1 25 SER QB 1 36 VAL HB . . 3.550 2.261 1.993 2.864 . 0 0 "[ . 1 . 2]" 2
549 1 25 SER QB 1 36 VAL MG1 . . 3.350 2.973 2.450 3.266 . 0 0 "[ . 1 . 2]" 2
550 1 25 SER QB 1 36 VAL MG2 . . 3.510 2.495 2.008 3.422 . 0 0 "[ . 1 . 2]" 2
551 1 27 SER H 1 27 SER HB2 . . 3.720 3.053 2.197 3.660 . 0 0 "[ . 1 . 2]" 2
552 1 27 SER HB2 1 36 VAL MG1 . . 4.020 3.681 3.151 4.059 0.039 9 0 "[ . 1 . 2]" 2
553 1 27 SER HB3 1 36 VAL MG1 . . 4.020 3.296 2.719 3.924 . 0 0 "[ . 1 . 2]" 2
554 1 30 PHE QE 1 60 HIS HB2 . . 5.420 4.820 4.097 5.233 . 0 0 "[ . 1 . 2]" 2
555 1 30 PHE QE 1 33 CYS HA . . 4.940 4.698 4.141 4.971 0.031 2 0 "[ . 1 . 2]" 2
556 1 30 PHE QE 1 33 CYS HB3 . . 5.210 4.754 4.231 5.311 0.101 15 0 "[ . 1 . 2]" 2
557 1 30 PHE HA 1 30 PHE QD . . 3.470 2.797 2.362 3.115 . 0 0 "[ . 1 . 2]" 2
558 1 30 PHE QD 1 60 HIS HB2 . . 3.930 2.876 2.473 3.397 . 0 0 "[ . 1 . 2]" 2
559 1 30 PHE QD 1 33 CYS HB2 . . 3.420 2.017 1.974 2.190 . 0 0 "[ . 1 . 2]" 2
560 1 30 PHE QD 1 60 HIS HB3 . . 4.430 3.683 3.316 4.335 . 0 0 "[ . 1 . 2]" 2
561 1 28 CYS QB 1 51 CYS HB2 . . 4.390 4.078 3.869 4.379 . 0 0 "[ . 1 . 2]" 2
562 1 35 ASP HB3 1 51 CYS HB2 . . 4.110 3.593 2.867 3.931 . 0 0 "[ . 1 . 2]" 2
563 1 37 GLU QG 1 51 CYS HB2 . . 3.870 2.802 2.558 3.126 . 0 0 "[ . 1 . 2]" 2
564 1 51 CYS HB2 1 52 LEU HB2 . . 4.560 4.140 4.064 4.210 . 0 0 "[ . 1 . 2]" 2
565 1 37 GLU QG 1 51 CYS HB3 . . 4.040 3.546 3.136 3.916 . 0 0 "[ . 1 . 2]" 2
566 1 28 CYS H 1 51 CYS HB3 . . 4.630 4.251 3.944 4.514 . 0 0 "[ . 1 . 2]" 2
567 1 51 CYS HB3 1 53 ARG H . . 4.530 4.484 4.379 4.546 0.016 12 0 "[ . 1 . 2]" 2
568 1 51 CYS HB3 1 54 HIS QB . . 4.690 4.513 4.341 4.708 0.018 15 0 "[ . 1 . 2]" 2
569 1 35 ASP HB3 1 51 CYS HB3 . . 4.010 3.603 2.119 3.992 . 0 0 "[ . 1 . 2]" 2
570 1 55 ARG H 1 55 ARG HB2 . . 3.610 3.599 3.578 3.617 0.007 9 0 "[ . 1 . 2]" 2
571 1 55 ARG HB3 1 56 HIS H . . 4.080 3.790 3.729 3.901 . 0 0 "[ . 1 . 2]" 2
572 1 63 GLU H 1 63 GLU QB . . 3.520 2.473 2.312 2.603 . 0 0 "[ . 1 . 2]" 2
573 1 46 CYS HB2 1 63 GLU QB . . 5.500 5.222 4.743 5.515 0.015 18 0 "[ . 1 . 2]" 2
574 1 66 GLU H 1 66 GLU HB2 . . 3.670 2.752 2.340 3.658 . 0 0 "[ . 1 . 2]" 2
575 1 10 GLU HB2 1 11 VAL HA . . 5.500 5.168 4.127 5.669 0.169 15 0 "[ . 1 . 2]" 2
576 1 10 GLU HB3 1 11 VAL HA . . 5.500 4.854 3.995 5.651 0.151 13 0 "[ . 1 . 2]" 2
577 1 50 PHE HB2 1 55 ARG HB3 . . 4.730 4.500 4.350 4.731 0.001 3 0 "[ . 1 . 2]" 2
578 1 29 SER QB 1 50 PHE QD . . 4.380 3.250 2.846 4.174 . 0 0 "[ . 1 . 2]" 2
579 1 50 PHE QD 1 60 HIS HB2 . . 4.520 2.949 2.555 3.409 . 0 0 "[ . 1 . 2]" 2
580 1 44 PRO HA 1 47 GLU H . . 4.660 4.175 4.114 4.262 . 0 0 "[ . 1 . 2]" 2
581 1 44 PRO HA 1 47 GLU QG . . 3.700 3.579 3.496 3.646 . 0 0 "[ . 1 . 2]" 2
582 1 62 CYS HB2 1 65 LEU MD1 . . 4.370 2.836 2.549 3.162 . 0 0 "[ . 1 . 2]" 2
583 1 62 CYS HB2 1 65 LEU HG . . 4.150 3.466 3.266 3.610 . 0 0 "[ . 1 . 2]" 2
584 1 57 GLN HE21 1 62 CYS HB3 . . 4.750 2.874 2.497 3.194 . 0 0 "[ . 1 . 2]" 2
585 1 62 CYS H 1 62 CYS HB3 . . 3.960 2.855 2.802 2.924 . 0 0 "[ . 1 . 2]" 2
586 1 66 GLU HB2 1 67 VAL H . . 4.640 4.500 4.246 4.642 0.002 14 0 "[ . 1 . 2]" 2
587 1 66 GLU HB3 1 67 VAL H . . 4.640 4.389 4.219 4.641 0.001 18 0 "[ . 1 . 2]" 2
588 1 62 CYS HB2 1 63 GLU H . . 4.950 4.451 4.304 4.560 . 0 0 "[ . 1 . 2]" 2
589 1 61 ASP H 1 62 CYS HB2 . . 5.080 4.986 4.862 5.096 0.016 4 0 "[ . 1 . 2]" 2
590 1 62 CYS HB2 1 65 LEU H . . 5.400 4.396 4.134 5.378 . 0 0 "[ . 1 . 2]" 2
591 1 62 CYS H 1 62 CYS HB2 . . 3.720 2.273 2.229 2.313 . 0 0 "[ . 1 . 2]" 2
592 1 57 GLN HE21 1 62 CYS HB2 . . 4.850 3.330 3.143 3.578 . 0 0 "[ . 1 . 2]" 2
593 1 60 HIS HD2 1 62 CYS HB3 . . 4.560 4.131 3.756 4.434 . 0 0 "[ . 1 . 2]" 2
594 1 57 GLN HA 1 62 CYS HB3 . . 4.200 3.991 3.671 4.220 0.020 11 0 "[ . 1 . 2]" 2
595 1 29 SER QB 1 48 LYS HB2 . . 4.480 3.432 3.116 3.778 . 0 0 "[ . 1 . 2]" 2
596 1 23 HIS HB3 1 38 LEU MD2 . . 4.810 3.372 1.974 4.812 0.002 9 0 "[ . 1 . 2]" 2
597 1 29 SER QB 1 48 LYS HD3 . . 4.730 2.765 2.187 3.443 . 0 0 "[ . 1 . 2]" 2
598 1 56 HIS QB 1 59 ASP H . . 4.540 2.884 2.451 3.713 . 0 0 "[ . 1 . 2]" 2
599 1 53 ARG HB3 1 53 ARG QD . . 3.820 2.561 2.106 3.386 . 0 0 "[ . 1 . 2]" 2
600 1 29 SER QB 1 50 PHE HZ . . 4.350 3.345 3.037 3.912 . 0 0 "[ . 1 . 2]" 2
601 1 29 SER QB 1 50 PHE QE . . 4.200 2.743 2.412 3.523 . 0 0 "[ . 1 . 2]" 2
602 1 29 SER QB 1 48 LYS HB3 . . 4.010 2.338 2.138 2.485 . 0 0 "[ . 1 . 2]" 2
603 1 48 LYS H 1 48 LYS HD2 . . 5.500 5.057 4.809 5.174 . 0 0 "[ . 1 . 2]" 2
604 1 29 SER QB 1 48 LYS HD2 . . 4.730 3.017 2.403 3.542 . 0 0 "[ . 1 . 2]" 2
605 1 48 LYS HB2 1 48 LYS HD2 . . 3.660 2.722 2.538 2.838 . 0 0 "[ . 1 . 2]" 2
606 1 48 LYS HB3 1 48 LYS HD2 . . 3.510 2.638 2.449 2.739 . 0 0 "[ . 1 . 2]" 2
607 1 48 LYS HA 1 48 LYS HD2 . . 4.610 4.523 4.406 4.568 . 0 0 "[ . 1 . 2]" 2
608 1 48 LYS HB3 1 48 LYS HD3 . . 3.510 2.450 2.302 2.614 . 0 0 "[ . 1 . 2]" 2
609 1 48 LYS HA 1 48 LYS HD3 . . 4.610 3.945 3.842 4.162 . 0 0 "[ . 1 . 2]" 2
610 1 48 LYS HB2 1 48 LYS HD3 . . 3.660 3.438 3.362 3.587 . 0 0 "[ . 1 . 2]" 2
611 1 62 CYS HA 1 63 GLU H . . 3.200 2.149 2.140 2.184 . 0 0 "[ . 1 . 2]" 2
612 1 62 CYS HA 1 63 GLU QB . . 4.640 4.392 4.237 4.492 . 0 0 "[ . 1 . 2]" 2
613 1 50 PHE QE 1 60 HIS HB2 . . 4.590 2.650 2.227 3.091 . 0 0 "[ . 1 . 2]" 2
614 1 31 LYS HA 1 31 LYS QD . . 4.600 3.937 3.733 4.225 . 0 0 "[ . 1 . 2]" 2
615 1 58 SER HB3 1 59 ASP H . . 4.570 3.668 2.614 4.586 0.016 11 0 "[ . 1 . 2]" 2
616 1 58 SER HB2 1 59 ASP H . . 4.570 3.606 2.713 4.554 . 0 0 "[ . 1 . 2]" 2
617 1 58 SER HB2 1 65 LEU MD1 . . 4.420 3.567 2.316 4.326 . 0 0 "[ . 1 . 2]" 2
618 1 58 SER HB3 1 65 LEU MD1 . . 4.420 3.795 2.610 4.307 . 0 0 "[ . 1 . 2]" 2
619 1 24 LYS HA 1 24 LYS QD . . 4.300 3.677 2.017 4.320 0.020 5 0 "[ . 1 . 2]" 2
620 1 14 VAL HA 1 14 VAL QG . . 3.160 2.195 2.051 2.331 . 0 0 "[ . 1 . 2]" 2
621 1 41 VAL HA 1 42 ILE HB . . 4.640 4.639 4.582 4.675 0.035 17 0 "[ . 1 . 2]" 2
622 1 41 VAL HA 1 42 ILE HG12 . . 4.790 4.292 4.113 4.523 . 0 0 "[ . 1 . 2]" 2
623 1 50 PHE QE 1 60 HIS HB3 . . 5.140 3.884 3.463 4.155 . 0 0 "[ . 1 . 2]" 2
624 1 54 HIS QB 1 60 HIS HB2 . . 3.980 3.526 3.224 3.975 . 0 0 "[ . 1 . 2]" 2
625 1 50 PHE HZ 1 60 HIS HB2 . . 4.450 4.163 3.705 4.427 . 0 0 "[ . 1 . 2]" 2
626 1 64 LYS H 1 64 LYS HD2 . . 4.900 4.015 3.614 4.640 . 0 0 "[ . 1 . 2]" 2
627 1 64 LYS HA 1 64 LYS HD3 . . 3.930 3.231 2.122 3.586 . 0 0 "[ . 1 . 2]" 2
628 1 46 CYS HA 1 64 LYS HD2 . . 4.940 4.683 4.313 4.941 0.001 20 0 "[ . 1 . 2]" 2
629 1 64 LYS H 1 64 LYS HD3 . . 4.900 4.207 3.458 4.650 . 0 0 "[ . 1 . 2]" 2
630 1 46 CYS HA 1 64 LYS HD3 . . 4.940 3.497 2.867 4.528 . 0 0 "[ . 1 . 2]" 2
631 1 60 HIS HD2 1 62 CYS H . . 4.300 2.445 2.145 2.711 . 0 0 "[ . 1 . 2]" 2
632 1 57 GLN HA 1 62 CYS H . . 4.620 3.876 3.610 4.280 . 0 0 "[ . 1 . 2]" 2
633 1 57 GLN HA 1 62 CYS HB2 . . 3.300 2.520 2.188 2.917 . 0 0 "[ . 1 . 2]" 2
634 1 60 HIS HD2 1 63 GLU H . . 4.360 3.945 3.790 4.201 . 0 0 "[ . 1 . 2]" 2
635 1 50 PHE QE 1 60 HIS HD2 . . 4.700 4.169 3.897 4.415 . 0 0 "[ . 1 . 2]" 2
636 1 60 HIS HD2 1 62 CYS HA . . 2.980 2.046 1.972 2.130 . 0 0 "[ . 1 . 2]" 2
637 1 60 HIS HD2 1 62 CYS HB2 . . 4.070 2.884 2.370 3.268 . 0 0 "[ . 1 . 2]" 2
638 1 34 THR HA 1 34 THR MG . . 3.610 2.319 2.154 3.175 . 0 0 "[ . 1 . 2]" 2
639 1 17 ARG HA 1 18 PRO QG . . 4.850 3.858 3.769 4.039 . 0 0 "[ . 1 . 2]" 2
640 1 69 LYS HA 1 70 PRO QG . . 5.140 3.893 3.767 4.096 . 0 0 "[ . 1 . 2]" 2
641 1 37 GLU QG 1 52 LEU HG . . 4.420 4.330 4.129 4.439 0.019 15 0 "[ . 1 . 2]" 2
642 1 52 LEU HA 1 52 LEU HG . . 3.730 3.688 3.650 3.716 . 0 0 "[ . 1 . 2]" 2
643 1 53 ARG H 1 53 ARG HG2 . . 4.590 3.376 2.060 4.556 . 0 0 "[ . 1 . 2]" 2
644 1 53 ARG HA 1 53 ARG HG2 . . 3.960 2.893 2.218 3.906 . 0 0 "[ . 1 . 2]" 2
645 1 53 ARG H 1 53 ARG HG3 . . 4.590 3.532 2.540 4.328 . 0 0 "[ . 1 . 2]" 2
646 1 42 ILE HG13 1 49 ASN HA . . 5.030 4.877 4.749 4.962 . 0 0 "[ . 1 . 2]" 2
647 1 38 LEU HG 1 39 VAL H . . 4.590 4.209 4.129 4.348 . 0 0 "[ . 1 . 2]" 2
648 1 38 LEU HA 1 38 LEU HG . . 3.710 2.935 2.880 3.000 . 0 0 "[ . 1 . 2]" 2
649 1 42 ILE HG12 1 43 CYS H . . 4.990 4.949 4.868 5.006 0.016 3 0 "[ . 1 . 2]" 2
650 1 42 ILE HG12 1 49 ASN HA . . 4.910 3.899 3.584 4.061 . 0 0 "[ . 1 . 2]" 2
651 1 42 ILE HA 1 42 ILE HG12 . . 3.950 2.998 2.928 3.052 . 0 0 "[ . 1 . 2]" 2
652 1 42 ILE HG13 1 43 CYS H . . 5.220 5.072 4.988 5.198 . 0 0 "[ . 1 . 2]" 2
653 1 42 ILE HA 1 42 ILE HG13 . . 3.900 3.672 3.620 3.711 . 0 0 "[ . 1 . 2]" 2
654 1 37 GLU HA 1 38 LEU HG . . 4.390 3.736 3.596 3.852 . 0 0 "[ . 1 . 2]" 2
655 1 65 LEU HG 1 66 GLU H . . 4.840 4.570 4.342 4.698 . 0 0 "[ . 1 . 2]" 2
656 1 62 CYS HB3 1 65 LEU HG . . 3.750 2.032 1.986 2.233 . 0 0 "[ . 1 . 2]" 2
657 1 65 LEU H 1 65 LEU HG . . 4.000 2.552 2.310 3.515 . 0 0 "[ . 1 . 2]" 2
658 1 58 SER HA 1 61 ASP H . . 4.710 3.624 3.304 4.257 . 0 0 "[ . 1 . 2]" 2
659 1 28 CYS HA 1 49 ASN HD21 . . 4.240 3.376 2.955 3.713 . 0 0 "[ . 1 . 2]" 2
660 1 28 CYS HA 1 50 PHE HA . . 3.180 2.226 2.153 2.286 . 0 0 "[ . 1 . 2]" 2
661 1 27 SER HA 1 28 CYS HA . . 4.630 4.337 4.319 4.351 . 0 0 "[ . 1 . 2]" 2
662 1 28 CYS HA 1 50 PHE HB3 . . 5.240 4.344 4.233 4.508 . 0 0 "[ . 1 . 2]" 2
663 1 28 CYS HA 1 51 CYS HB3 . . 4.380 4.030 3.864 4.292 . 0 0 "[ . 1 . 2]" 2
664 1 28 CYS HA 1 49 ASN HD22 . . 4.860 3.447 2.795 4.123 . 0 0 "[ . 1 . 2]" 2
665 1 44 PRO HG3 1 45 TYR H . . 4.710 4.700 4.679 4.714 0.004 9 0 "[ . 1 . 2]" 2
666 1 43 CYS HA 1 44 PRO HG3 . . 4.540 4.317 4.316 4.319 . 0 0 "[ . 1 . 2]" 2
667 1 43 CYS HA 1 44 PRO HG2 . . 4.780 4.220 4.204 4.233 . 0 0 "[ . 1 . 2]" 2
668 1 50 PHE QD 1 55 ARG HA . . 4.580 3.945 3.810 4.076 . 0 0 "[ . 1 . 2]" 2
669 1 55 ARG HA 1 55 ARG HG2 . . 4.060 3.759 3.695 3.845 . 0 0 "[ . 1 . 2]" 2
670 1 55 ARG HA 1 55 ARG HG3 . . 4.010 3.723 3.622 3.785 . 0 0 "[ . 1 . 2]" 2
671 1 55 ARG HA 1 60 HIS HD1 . . 4.110 3.519 3.212 3.892 . 0 0 "[ . 1 . 2]" 2
672 1 50 PHE H 1 55 ARG HA . . 4.870 4.590 4.334 4.813 . 0 0 "[ . 1 . 2]" 2
673 1 55 ARG HA 1 60 HIS HE1 . . 5.290 4.756 4.573 5.047 . 0 0 "[ . 1 . 2]" 2
674 1 43 CYS QB 1 55 ARG HA . . 5.500 5.236 5.113 5.340 . 0 0 "[ . 1 . 2]" 2
675 1 55 ARG HA 1 56 HIS QB . . 5.500 5.291 5.171 5.454 . 0 0 "[ . 1 . 2]" 2
676 1 55 ARG HA 1 55 ARG HD2 . . 4.770 4.653 4.517 4.784 0.014 7 0 "[ . 1 . 2]" 2
677 1 50 PHE HB2 1 55 ARG HA . . 3.210 2.458 2.362 2.625 . 0 0 "[ . 1 . 2]" 2
678 1 38 LEU QB 1 39 VAL HA . . 4.840 3.995 3.931 4.050 . 0 0 "[ . 1 . 2]" 2
679 1 52 LEU HA 1 55 ARG HG2 . . 4.400 3.754 3.317 4.006 . 0 0 "[ . 1 . 2]" 2
680 1 54 HIS H 1 55 ARG HG2 . . 5.500 4.904 4.682 5.080 . 0 0 "[ . 1 . 2]" 2
681 1 48 LYS H 1 48 LYS HG2 . . 3.910 3.855 3.690 3.928 0.018 5 0 "[ . 1 . 2]" 2
682 1 48 LYS HA 1 48 LYS HG2 . . 3.770 2.341 2.267 2.412 . 0 0 "[ . 1 . 2]" 2
683 1 48 LYS HA 1 48 LYS HG3 . . 3.540 3.313 3.217 3.443 . 0 0 "[ . 1 . 2]" 2
684 1 46 CYS HB2 1 48 LYS HG3 . . 4.810 2.432 2.309 2.584 . 0 0 "[ . 1 . 2]" 2
685 1 48 LYS HG3 1 49 ASN H . . 5.330 5.051 4.945 5.174 . 0 0 "[ . 1 . 2]" 2
686 1 52 LEU MD1 1 55 ARG HG2 . . 4.450 4.096 3.815 4.335 . 0 0 "[ . 1 . 2]" 2
687 1 42 ILE HA 1 49 ASN HA . . 3.610 2.308 2.163 2.451 . 0 0 "[ . 1 . 2]" 2
688 1 38 LEU H 1 38 LEU MD1 . . 3.910 3.116 3.077 3.193 . 0 0 "[ . 1 . 2]" 2
689 1 38 LEU MD1 1 39 VAL H . . 4.660 4.102 3.978 4.276 . 0 0 "[ . 1 . 2]" 2
690 1 37 GLU HA 1 38 LEU MD1 . . 4.810 4.751 4.691 4.802 . 0 0 "[ . 1 . 2]" 2
691 1 38 LEU HA 1 38 LEU MD1 . . 4.130 3.958 3.930 3.982 . 0 0 "[ . 1 . 2]" 2
692 1 38 LEU QB 1 38 LEU MD1 . . 2.680 2.044 1.958 2.091 . 0 0 "[ . 1 . 2]" 2
693 1 51 CYS HA 1 52 LEU HA . . 4.740 4.299 4.295 4.302 . 0 0 "[ . 1 . 2]" 2
694 1 52 LEU HA 1 55 ARG HD2 . . 4.400 3.333 2.642 3.767 . 0 0 "[ . 1 . 2]" 2
695 1 52 LEU HA 1 55 ARG HD3 . . 4.540 2.825 2.244 4.103 . 0 0 "[ . 1 . 2]" 2
696 1 52 LEU HA 1 55 ARG HB2 . . 3.600 3.572 3.519 3.607 0.007 9 0 "[ . 1 . 2]" 2
697 1 52 LEU HA 1 55 ARG HB3 . . 3.150 2.085 2.012 2.134 . 0 0 "[ . 1 . 2]" 2
698 1 41 VAL MG2 1 52 LEU HA . . 3.910 2.954 2.708 3.347 . 0 0 "[ . 1 . 2]" 2
699 1 51 CYS HB2 1 52 LEU MD2 . . 4.760 4.106 3.871 4.300 . 0 0 "[ . 1 . 2]" 2
700 1 53 ARG HA 1 53 ARG HE . . 5.500 4.460 2.725 5.291 . 0 0 "[ . 1 . 2]" 2
701 1 53 ARG HA 1 53 ARG HG3 . . 3.960 3.212 2.284 3.814 . 0 0 "[ . 1 . 2]" 2
702 1 52 LEU HA 1 55 ARG HG3 . . 4.930 4.663 4.457 4.888 . 0 0 "[ . 1 . 2]" 2
703 1 52 LEU H 1 52 LEU MD2 . . 3.980 1.902 1.814 2.057 . 0 0 "[ . 1 . 2]" 2
704 1 52 LEU MD2 1 53 ARG H . . 5.210 4.108 4.005 4.193 . 0 0 "[ . 1 . 2]" 2
705 1 52 LEU MD2 1 55 ARG HD2 . . 5.260 4.546 4.101 4.940 . 0 0 "[ . 1 . 2]" 2
706 1 52 LEU MD2 1 55 ARG HD3 . . 5.500 4.533 4.043 5.501 0.001 10 0 "[ . 1 . 2]" 2
707 1 37 GLU QG 1 52 LEU MD2 . . 4.480 2.041 1.926 2.199 . 0 0 "[ . 1 . 2]" 2
708 1 52 LEU MD2 1 55 ARG HB2 . . 4.920 4.811 4.721 4.897 . 0 0 "[ . 1 . 2]" 2
709 1 63 GLU HA 1 65 LEU H . . 4.720 4.254 3.395 4.477 . 0 0 "[ . 1 . 2]" 2
710 1 52 LEU HB2 1 53 ARG HA . . 4.960 4.630 4.550 4.712 . 0 0 "[ . 1 . 2]" 2
711 1 42 ILE HG13 1 47 GLU HA . . 5.500 5.493 5.436 5.533 0.033 11 0 "[ . 1 . 2]" 2
712 1 52 LEU HA 1 52 LEU MD2 . . 3.580 2.523 2.395 2.713 . 0 0 "[ . 1 . 2]" 2
713 1 47 GLU HA 1 47 GLU QG . . 3.180 2.308 2.131 2.394 . 0 0 "[ . 1 . 2]" 2
714 1 31 LYS HA 1 31 LYS HG2 . . 4.020 3.341 3.187 3.540 . 0 0 "[ . 1 . 2]" 2
715 1 31 LYS HA 1 31 LYS HG3 . . 4.020 2.571 2.429 2.705 . 0 0 "[ . 1 . 2]" 2
716 1 31 LYS HA 1 33 CYS H . . 4.150 4.084 3.980 4.179 0.029 11 0 "[ . 1 . 2]" 2
717 1 19 LYS QG 1 20 THR H . . 5.410 3.869 2.174 4.577 . 0 0 "[ . 1 . 2]" 2
718 1 64 LYS H 1 64 LYS HG3 . . 4.220 3.584 3.480 3.758 . 0 0 "[ . 1 . 2]" 2
719 1 46 CYS HB3 1 64 LYS HG3 . . 4.650 3.429 3.174 3.643 . 0 0 "[ . 1 . 2]" 2
720 1 46 CYS HA 1 64 LYS HG3 . . 3.830 2.768 2.456 2.963 . 0 0 "[ . 1 . 2]" 2
721 1 45 TYR HA 1 64 LYS HG3 . . 4.120 3.333 3.184 3.646 . 0 0 "[ . 1 . 2]" 2
722 1 45 TYR HB3 1 64 LYS HG3 . . 4.380 2.362 2.108 3.036 . 0 0 "[ . 1 . 2]" 2
723 1 46 CYS HB2 1 64 LYS HG3 . . 4.940 4.680 4.383 4.841 . 0 0 "[ . 1 . 2]" 2
724 1 46 CYS HA 1 64 LYS HG2 . . 3.920 2.806 2.606 2.966 . 0 0 "[ . 1 . 2]" 2
725 1 64 LYS HA 1 64 LYS HG2 . . 3.750 2.897 2.726 3.032 . 0 0 "[ . 1 . 2]" 2
726 1 45 TYR HB3 1 64 LYS HG2 . . 4.930 3.689 3.457 3.992 . 0 0 "[ . 1 . 2]" 2
727 1 63 GLU HG2 1 64 LYS HG2 . . 4.700 3.234 2.512 4.217 . 0 0 "[ . 1 . 2]" 2
728 1 63 GLU QB 1 64 LYS HG2 . . 4.750 4.562 4.194 4.763 0.013 10 0 "[ . 1 . 2]" 2
729 1 50 PHE HA 1 50 PHE QD . . 3.820 3.020 2.870 3.127 . 0 0 "[ . 1 . 2]" 2
730 1 50 PHE HA 1 51 CYS HB3 . . 4.690 4.423 4.359 4.483 . 0 0 "[ . 1 . 2]" 2
731 1 65 LEU MD1 1 66 GLU H . . 4.580 4.392 4.100 4.564 . 0 0 "[ . 1 . 2]" 2
732 1 57 GLN HE21 1 65 LEU MD1 . . 4.820 3.531 3.308 3.747 . 0 0 "[ . 1 . 2]" 2
733 1 65 LEU H 1 65 LEU MD1 . . 4.280 3.594 3.470 3.974 . 0 0 "[ . 1 . 2]" 2
734 1 62 CYS H 1 65 LEU MD1 . . 4.280 2.854 2.607 3.173 . 0 0 "[ . 1 . 2]" 2
735 1 61 ASP HA 1 65 LEU MD1 . . 4.470 3.717 3.486 4.197 . 0 0 "[ . 1 . 2]" 2
736 1 58 SER HA 1 65 LEU MD1 . . 3.250 2.428 2.064 2.731 . 0 0 "[ . 1 . 2]" 2
737 1 57 GLN HA 1 65 LEU MD1 . . 4.550 3.874 3.372 4.190 . 0 0 "[ . 1 . 2]" 2
738 1 62 CYS HB3 1 65 LEU MD1 . . 3.760 2.104 1.940 2.386 . 0 0 "[ . 1 . 2]" 2
739 1 57 GLN HB2 1 65 LEU MD1 . . 3.750 3.258 2.734 3.650 . 0 0 "[ . 1 . 2]" 2
740 1 65 LEU QB 1 65 LEU MD1 . . 2.860 2.058 2.008 2.099 . 0 0 "[ . 1 . 2]" 2
741 1 49 ASN HA 1 50 PHE HA . . 5.100 4.406 4.395 4.417 . 0 0 "[ . 1 . 2]" 2
742 1 50 PHE HA 1 51 CYS HA . . 5.450 4.343 4.321 4.364 . 0 0 "[ . 1 . 2]" 2
743 1 50 PHE HA 1 55 ARG HA . . 5.500 5.311 5.198 5.477 . 0 0 "[ . 1 . 2]" 2
744 1 56 HIS HA 1 56 HIS HD2 . . 4.790 2.894 2.177 4.391 . 0 0 "[ . 1 . 2]" 2
745 1 51 CYS HA 1 55 ARG HA . . 5.500 5.464 5.360 5.544 0.044 11 0 "[ . 1 . 2]" 2
746 1 31 LYS H 1 31 LYS HG2 . . 4.590 4.371 4.272 4.479 . 0 0 "[ . 1 . 2]" 2
747 1 31 LYS H 1 31 LYS HG3 . . 4.590 4.517 4.444 4.597 0.007 13 0 "[ . 1 . 2]" 2
748 1 41 VAL HA 1 52 LEU MD1 . . 5.500 5.495 5.424 5.563 0.063 18 0 "[ . 1 . 2]" 2
749 1 52 LEU MD1 1 53 ARG HA . . 5.500 5.311 5.172 5.422 . 0 0 "[ . 1 . 2]" 2
750 1 52 LEU HA 1 52 LEU MD1 . . 2.960 1.984 1.917 2.071 . 0 0 "[ . 1 . 2]" 2
751 1 41 VAL HB 1 52 LEU MD1 . . 4.840 4.776 4.631 4.850 0.010 4 0 "[ . 1 . 2]" 2
752 1 52 LEU MD1 1 55 ARG HB2 . . 4.270 3.871 3.730 3.961 . 0 0 "[ . 1 . 2]" 2
753 1 52 LEU HB2 1 52 LEU MD1 . . 3.590 3.182 3.176 3.192 . 0 0 "[ . 1 . 2]" 2
754 1 52 LEU MD1 1 55 ARG HB3 . . 3.830 3.164 3.052 3.242 . 0 0 "[ . 1 . 2]" 2
755 1 52 LEU HB3 1 52 LEU MD1 . . 3.100 2.346 2.308 2.382 . 0 0 "[ . 1 . 2]" 2
756 1 57 GLN HE21 1 65 LEU MD2 . . 4.500 3.102 2.720 3.636 . 0 0 "[ . 1 . 2]" 2
757 1 57 GLN HE22 1 65 LEU MD2 . . 4.260 2.652 2.162 3.395 . 0 0 "[ . 1 . 2]" 2
758 1 25 SER HA 1 26 TYR QD . . 4.500 3.495 3.119 4.131 . 0 0 "[ . 1 . 2]" 2
759 1 37 GLU QG 1 52 LEU MD1 . . 4.720 4.578 4.346 4.688 . 0 0 "[ . 1 . 2]" 2
760 1 65 LEU H 1 65 LEU MD2 . . 4.440 3.685 3.533 4.222 . 0 0 "[ . 1 . 2]" 2
761 1 65 LEU HA 1 65 LEU MD2 . . 3.110 2.084 1.952 2.295 . 0 0 "[ . 1 . 2]" 2
762 1 65 LEU QB 1 65 LEU MD2 . . 3.000 2.241 2.136 2.299 . 0 0 "[ . 1 . 2]" 2
763 1 57 GLN HA 1 65 LEU MD2 . . 5.320 5.235 4.924 5.342 0.022 2 0 "[ . 1 . 2]" 2
764 1 62 CYS HB3 1 65 LEU MD2 . . 3.950 3.673 3.570 3.812 . 0 0 "[ . 1 . 2]" 2
765 1 26 TYR HA 1 36 VAL MG1 . . 4.560 4.015 3.573 4.501 . 0 0 "[ . 1 . 2]" 2
766 1 25 SER HA 1 36 VAL MG2 . . 4.990 4.218 3.742 4.918 . 0 0 "[ . 1 . 2]" 2
767 1 25 SER HA 1 26 TYR QE . . 4.960 4.662 4.360 4.962 0.002 13 0 "[ . 1 . 2]" 2
768 1 10 GLU HA 1 11 VAL HB . . 4.810 4.438 4.315 4.681 . 0 0 "[ . 1 . 2]" 2
769 1 37 GLU HA 1 38 LEU MD2 . . 4.930 4.797 4.619 4.929 . 0 0 "[ . 1 . 2]" 2
770 1 38 LEU HA 1 38 LEU MD2 . . 2.770 2.534 2.398 2.644 . 0 0 "[ . 1 . 2]" 2
771 1 23 HIS HB2 1 38 LEU MD2 . . 4.810 3.279 2.034 4.768 . 0 0 "[ . 1 . 2]" 2
772 1 38 LEU MD2 1 39 VAL H . . 4.880 4.805 4.752 4.873 . 0 0 "[ . 1 . 2]" 2
773 1 38 LEU QB 1 38 LEU MD2 . . 2.830 2.064 1.989 2.187 . 0 0 "[ . 1 . 2]" 2
774 1 66 GLU HA 1 67 VAL H . . 3.180 2.707 2.411 2.868 . 0 0 "[ . 1 . 2]" 2
775 1 66 GLU HA 1 66 GLU HG2 . . 4.180 3.314 2.250 3.847 . 0 0 "[ . 1 . 2]" 2
776 1 24 LYS HA 1 24 LYS QG . . 3.680 2.661 2.198 3.427 . 0 0 "[ . 1 . 2]" 2
777 1 24 LYS HA 1 25 SER QB . . 4.790 4.251 3.928 4.562 . 0 0 "[ . 1 . 2]" 2
778 1 57 GLN HE21 1 65 LEU HA . . 4.460 4.288 3.959 4.471 0.011 17 0 "[ . 1 . 2]" 2
779 1 57 GLN HE22 1 65 LEU HA . . 4.050 3.929 3.485 4.058 0.008 16 0 "[ . 1 . 2]" 2
780 1 65 LEU HA 1 65 LEU HG . . 4.000 2.798 2.657 2.886 . 0 0 "[ . 1 . 2]" 2
781 1 37 GLU HA 1 38 LEU HA . . 4.830 4.298 4.292 4.304 . 0 0 "[ . 1 . 2]" 2
782 1 41 VAL H 1 41 VAL MG1 . . 4.210 3.773 3.760 3.786 . 0 0 "[ . 1 . 2]" 2
783 1 41 VAL MG1 1 49 ASN HA . . 4.780 4.503 4.300 4.680 . 0 0 "[ . 1 . 2]" 2
784 1 41 VAL HA 1 41 VAL MG1 . . 3.030 2.390 2.306 2.462 . 0 0 "[ . 1 . 2]" 2
785 1 41 VAL MG1 1 52 LEU HA . . 4.010 3.858 3.744 3.967 . 0 0 "[ . 1 . 2]" 2
786 1 41 VAL MG1 1 55 ARG HA . . 3.910 2.420 2.178 2.760 . 0 0 "[ . 1 . 2]" 2
787 1 41 VAL MG1 1 50 PHE HB2 . . 4.480 3.305 3.141 3.546 . 0 0 "[ . 1 . 2]" 2
788 1 41 VAL MG1 1 55 ARG HB2 . . 3.370 1.922 1.770 2.074 . 0 0 "[ . 1 . 2]" 2
789 1 41 VAL MG1 1 55 ARG HB3 . . 3.580 2.808 2.626 2.958 . 0 0 "[ . 1 . 2]" 2
790 1 41 VAL MG1 1 55 ARG HG2 . . 4.750 4.417 4.228 4.565 . 0 0 "[ . 1 . 2]" 2
791 1 41 VAL MG1 1 55 ARG HG3 . . 4.200 3.862 3.694 4.012 . 0 0 "[ . 1 . 2]" 2
792 1 36 VAL MG1 1 37 GLU H . . 3.710 3.579 3.453 3.706 . 0 0 "[ . 1 . 2]" 2
793 1 36 VAL H 1 36 VAL MG1 . . 3.670 3.006 2.867 3.237 . 0 0 "[ . 1 . 2]" 2
794 1 36 VAL HA 1 36 VAL MG1 . . 3.120 2.292 2.199 2.365 . 0 0 "[ . 1 . 2]" 2
795 1 27 SER HA 1 36 VAL MG1 . . 3.160 1.947 1.835 2.162 . 0 0 "[ . 1 . 2]" 2
796 1 20 THR HA 1 20 THR MG . . 3.500 2.505 2.203 3.205 . 0 0 "[ . 1 . 2]" 2
797 1 34 THR MG 1 35 ASP H . . 4.580 4.281 2.816 4.385 . 0 0 "[ . 1 . 2]" 2
798 1 14 VAL QG 1 15 LYS HA . . 4.780 3.731 3.226 4.193 . 0 0 "[ . 1 . 2]" 2
799 1 10 GLU QG 1 11 VAL MG1 . . 5.500 4.531 3.692 5.477 . 0 0 "[ . 1 . 2]" 2
800 1 39 VAL MG1 1 40 ALA H . . 3.650 3.606 3.543 3.656 0.006 9 0 "[ . 1 . 2]" 2
801 1 39 VAL H 1 39 VAL MG1 . . 3.760 2.582 2.405 2.812 . 0 0 "[ . 1 . 2]" 2
802 1 39 VAL HA 1 39 VAL MG1 . . 3.170 2.345 2.248 2.416 . 0 0 "[ . 1 . 2]" 2
803 1 38 LEU QB 1 39 VAL MG1 . . 3.860 2.728 2.598 2.908 . 0 0 "[ . 1 . 2]" 2
804 1 64 LYS HA 1 64 LYS HD2 . . 3.930 2.161 1.986 2.880 . 0 0 "[ . 1 . 2]" 2
805 1 10 GLU QG 1 11 VAL MG2 . . 5.500 4.630 3.903 5.302 . 0 0 "[ . 1 . 2]" 2
806 1 39 VAL H 1 41 VAL MG2 . . 5.060 4.962 4.607 5.081 0.021 18 0 "[ . 1 . 2]" 2
807 1 40 ALA HA 1 41 VAL MG2 . . 4.310 3.855 3.708 3.963 . 0 0 "[ . 1 . 2]" 2
808 1 41 VAL MG2 1 55 ARG HA . . 4.890 4.269 4.067 4.522 . 0 0 "[ . 1 . 2]" 2
809 1 41 VAL MG2 1 42 ILE H . . 4.450 4.240 4.177 4.278 . 0 0 "[ . 1 . 2]" 2
810 1 41 VAL MG2 1 51 CYS HA . . 4.690 3.783 3.421 4.016 . 0 0 "[ . 1 . 2]" 2
811 1 41 VAL HA 1 41 VAL MG2 . . 3.130 2.377 2.292 2.443 . 0 0 "[ . 1 . 2]" 2
812 1 41 VAL MG2 1 55 ARG HD2 . . 4.500 3.701 3.213 4.123 . 0 0 "[ . 1 . 2]" 2
813 1 41 VAL MG2 1 55 ARG HD3 . . 5.120 4.409 3.735 5.110 . 0 0 "[ . 1 . 2]" 2
814 1 37 GLU QG 1 41 VAL MG2 . . 4.230 3.966 3.602 4.227 . 0 0 "[ . 1 . 2]" 2
815 1 37 GLU HB2 1 41 VAL MG2 . . 4.600 4.175 3.813 4.337 . 0 0 "[ . 1 . 2]" 2
816 1 41 VAL MG2 1 55 ARG HB2 . . 3.860 3.326 2.961 3.580 . 0 0 "[ . 1 . 2]" 2
817 1 41 VAL MG2 1 55 ARG HB3 . . 4.190 3.245 2.807 3.558 . 0 0 "[ . 1 . 2]" 2
818 1 41 VAL MG2 1 52 LEU HG . . 4.440 4.415 4.331 4.455 0.015 12 0 "[ . 1 . 2]" 2
819 1 43 CYS H 1 49 ASN HA . . 4.700 3.856 3.664 4.003 . 0 0 "[ . 1 . 2]" 2
820 1 38 LEU H 1 39 VAL MG2 . . 4.580 4.080 3.904 4.295 . 0 0 "[ . 1 . 2]" 2
821 1 39 VAL MG2 1 40 ALA H . . 3.890 3.202 2.983 3.643 . 0 0 "[ . 1 . 2]" 2
822 1 39 VAL HA 1 39 VAL MG2 . . 3.460 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 2
823 1 37 GLU HB3 1 39 VAL MG2 . . 4.030 3.067 2.837 3.311 . 0 0 "[ . 1 . 2]" 2
824 1 38 LEU QB 1 39 VAL MG2 . . 3.780 3.604 3.425 3.779 . 0 0 "[ . 1 . 2]" 2
825 1 36 VAL MG2 1 37 GLU H . . 3.960 3.357 3.031 3.585 . 0 0 "[ . 1 . 2]" 2
826 1 36 VAL HA 1 36 VAL MG2 . . 3.430 3.196 3.182 3.204 . 0 0 "[ . 1 . 2]" 2
827 1 27 SER HA 1 36 VAL MG2 . . 5.500 4.568 4.364 4.784 . 0 0 "[ . 1 . 2]" 2
828 1 28 CYS H 1 36 VAL MG2 . . 5.500 5.483 5.158 5.615 0.115 20 0 "[ . 1 . 2]" 2
829 1 36 VAL MG2 1 37 GLU QG . . 4.780 4.449 4.290 4.785 0.005 4 0 "[ . 1 . 2]" 2
830 1 67 VAL HA 1 68 ALA MB . . 4.470 3.976 3.797 4.279 . 0 0 "[ . 1 . 2]" 2
831 1 26 TYR H 1 36 VAL MG2 . . 4.900 4.462 4.009 4.923 0.023 15 0 "[ . 1 . 2]" 2
832 1 35 ASP HB3 1 36 VAL MG2 . . 4.780 4.585 4.354 4.860 0.080 15 0 "[ . 1 . 2]" 2
833 1 67 VAL H 1 68 ALA HA . . 5.500 5.045 4.530 5.452 . 0 0 "[ . 1 . 2]" 2
834 1 26 TYR H 1 40 ALA MB . . 4.980 4.828 4.656 4.987 0.007 15 0 "[ . 1 . 2]" 2
835 1 40 ALA MB 1 41 VAL H . . 3.550 3.457 3.324 3.570 0.020 14 0 "[ . 1 . 2]" 2
836 1 40 ALA MB 1 42 ILE H . . 4.350 4.069 3.855 4.313 . 0 0 "[ . 1 . 2]" 2
837 1 40 ALA MB 1 49 ASN HA . . 4.860 4.342 3.909 4.520 . 0 0 "[ . 1 . 2]" 2
838 1 39 VAL HA 1 40 ALA MB . . 4.110 3.878 3.818 3.960 . 0 0 "[ . 1 . 2]" 2
839 1 40 ALA MB 1 41 VAL HA . . 4.580 4.362 4.268 4.461 . 0 0 "[ . 1 . 2]" 2
840 1 26 TYR HB3 1 40 ALA MB . . 4.590 3.124 2.716 3.320 . 0 0 "[ . 1 . 2]" 2
841 1 26 TYR HB2 1 40 ALA MB . . 4.670 3.169 2.787 3.376 . 0 0 "[ . 1 . 2]" 2
842 1 40 ALA MB 1 49 ASN HB2 . . 4.150 3.102 2.259 3.585 . 0 0 "[ . 1 . 2]" 2
843 1 40 ALA MB 1 49 ASN HB3 . . 4.500 3.959 3.088 4.516 0.016 20 0 "[ . 1 . 2]" 2
844 1 39 VAL HB 1 40 ALA MB . . 4.510 4.228 4.074 4.422 . 0 0 "[ . 1 . 2]" 2
845 1 40 ALA MB 1 42 ILE HB . . 5.060 4.888 4.694 4.977 . 0 0 "[ . 1 . 2]" 2
846 1 40 ALA MB 1 42 ILE HG12 . . 3.560 2.831 2.715 3.021 . 0 0 "[ . 1 . 2]" 2
847 1 40 ALA MB 1 42 ILE HG13 . . 4.180 3.955 3.820 4.083 . 0 0 "[ . 1 . 2]" 2
848 1 26 TYR HA 1 40 ALA MB . . 4.850 4.727 4.474 4.838 . 0 0 "[ . 1 . 2]" 2
849 1 40 ALA HA 1 49 ASN HA . . 5.430 5.051 4.839 5.198 . 0 0 "[ . 1 . 2]" 2
850 1 39 VAL HA 1 40 ALA HA . . 4.550 4.420 4.377 4.459 . 0 0 "[ . 1 . 2]" 2
851 1 40 ALA HA 1 41 VAL HA . . 4.700 4.441 4.406 4.491 . 0 0 "[ . 1 . 2]" 2
852 1 26 TYR HB2 1 40 ALA HA . . 4.610 2.892 2.646 3.057 . 0 0 "[ . 1 . 2]" 2
853 1 40 ALA HA 1 41 VAL HB . . 4.750 4.639 4.581 4.678 . 0 0 "[ . 1 . 2]" 2
854 1 54 HIS HA 1 54 HIS HD2 . . 3.420 2.432 2.357 2.548 . 0 0 "[ . 1 . 2]" 2
855 1 54 HIS HD2 1 55 ARG H . . 5.210 4.904 4.741 5.109 . 0 0 "[ . 1 . 2]" 2
856 1 45 TYR HA 1 45 TYR QE . . 4.850 4.746 4.738 4.753 . 0 0 "[ . 1 . 2]" 2
857 1 44 PRO HD2 1 45 TYR QE . . 3.960 3.312 3.260 3.421 . 0 0 "[ . 1 . 2]" 2
858 1 45 TYR QE 1 57 GLN HG3 . . 4.740 3.578 3.316 3.852 . 0 0 "[ . 1 . 2]" 2
859 1 45 TYR QE 1 57 GLN HG2 . . 4.740 4.295 4.129 4.484 . 0 0 "[ . 1 . 2]" 2
860 1 44 PRO HB3 1 45 TYR QE . . 5.200 4.875 4.830 4.936 . 0 0 "[ . 1 . 2]" 2
861 1 44 PRO HG3 1 45 TYR QE . . 4.390 3.183 3.162 3.228 . 0 0 "[ . 1 . 2]" 2
862 1 44 PRO HG2 1 45 TYR QE . . 3.780 2.008 1.988 2.058 . 0 0 "[ . 1 . 2]" 2
863 1 45 TYR H 1 45 TYR QE . . 4.480 4.503 4.480 4.543 0.063 20 0 "[ . 1 . 2]" 2
864 1 44 PRO HB2 1 45 TYR QE . . 4.420 3.990 3.903 4.069 . 0 0 "[ . 1 . 2]" 2
865 1 24 LYS QE 1 26 TYR QE . . 4.690 3.703 1.990 4.693 0.003 16 0 "[ . 1 . 2]" 2
866 1 44 PRO HD3 1 45 TYR H . . 4.410 4.085 4.074 4.093 . 0 0 "[ . 1 . 2]" 2
867 1 44 PRO HD3 1 45 TYR QD . . 4.220 3.952 3.939 3.966 . 0 0 "[ . 1 . 2]" 2
868 1 43 CYS HA 1 44 PRO HD3 . . 3.130 2.283 2.276 2.294 . 0 0 "[ . 1 . 2]" 2
869 1 43 CYS HA 1 44 PRO HD2 . . 3.060 2.033 2.013 2.049 . 0 0 "[ . 1 . 2]" 2
870 1 26 TYR QE 1 40 ALA H . . 4.120 3.500 2.756 3.902 . 0 0 "[ . 1 . 2]" 2
871 1 26 TYR HA 1 26 TYR QE . . 5.500 4.719 4.650 4.799 . 0 0 "[ . 1 . 2]" 2
872 1 26 TYR QE 1 39 VAL HA . . 3.620 2.708 2.367 2.994 . 0 0 "[ . 1 . 2]" 2
873 1 24 LYS QB 1 26 TYR QE . . 4.120 3.250 2.387 4.121 0.001 13 0 "[ . 1 . 2]" 2
874 1 24 LYS QD 1 26 TYR QE . . 4.440 3.498 2.554 4.433 . 0 0 "[ . 1 . 2]" 2
875 1 24 LYS QG 1 26 TYR QE . . 4.720 3.722 2.082 4.729 0.009 15 0 "[ . 1 . 2]" 2
876 1 26 TYR QE 1 40 ALA MB . . 3.550 2.779 2.592 2.959 . 0 0 "[ . 1 . 2]" 2
877 1 44 PRO HD3 1 45 TYR QE . . 4.830 4.463 4.432 4.530 . 0 0 "[ . 1 . 2]" 2
878 1 26 TYR QE 1 39 VAL H . . 5.090 4.834 4.389 5.104 0.014 15 0 "[ . 1 . 2]" 2
879 1 17 ARG HA 1 18 PRO HD3 . . 3.100 2.287 2.252 2.372 . 0 0 "[ . 1 . 2]" 2
880 1 69 LYS HA 1 70 PRO HD3 . . 3.260 2.318 2.254 3.211 . 0 0 "[ . 1 . 2]" 2
881 1 17 ARG QG 1 18 PRO HD3 . . 5.380 4.211 3.428 5.129 . 0 0 "[ . 1 . 2]" 2
882 1 17 ARG HA 1 18 PRO HD2 . . 3.100 2.137 1.943 2.460 . 0 0 "[ . 1 . 2]" 2
883 1 69 LYS HA 1 70 PRO HD2 . . 3.260 2.195 1.930 2.506 . 0 0 "[ . 1 . 2]" 2
884 1 17 ARG QG 1 18 PRO HD2 . . 5.380 3.246 1.988 4.352 . 0 0 "[ . 1 . 2]" 2
885 1 69 LYS H 1 70 PRO HD2 . . 5.040 4.700 2.953 4.844 . 0 0 "[ . 1 . 2]" 2
886 1 42 ILE MG 1 43 CYS H . . 3.470 2.143 1.878 2.488 . 0 0 "[ . 1 . 2]" 2
887 1 42 ILE MG 1 43 CYS HA . . 4.140 3.768 3.628 3.907 . 0 0 "[ . 1 . 2]" 2
888 1 42 ILE MG 1 49 ASN HA . . 4.560 4.057 3.942 4.167 . 0 0 "[ . 1 . 2]" 2
889 1 42 ILE HA 1 42 ILE MG . . 3.190 2.401 2.343 2.467 . 0 0 "[ . 1 . 2]" 2
890 1 42 ILE MG 1 44 PRO HA . . 3.890 3.772 3.682 3.886 . 0 0 "[ . 1 . 2]" 2
891 1 42 ILE MG 1 47 GLU HA . . 2.930 2.380 2.266 2.471 . 0 0 "[ . 1 . 2]" 2
892 1 42 ILE MG 1 43 CYS QB . . 4.430 3.677 3.560 3.805 . 0 0 "[ . 1 . 2]" 2
893 1 42 ILE MG 1 47 GLU QB . . 3.840 3.548 3.342 3.736 . 0 0 "[ . 1 . 2]" 2
894 1 42 ILE MG 1 47 GLU QG . . 3.750 3.365 3.126 3.751 0.001 4 0 "[ . 1 . 2]" 2
895 1 42 ILE HG12 1 42 ILE MG . . 3.260 3.193 3.184 3.202 . 0 0 "[ . 1 . 2]" 2
896 1 42 ILE HG13 1 42 ILE MG . . 3.160 2.281 2.201 2.389 . 0 0 "[ . 1 . 2]" 2
897 1 82 GLY QA 1 83 PRO QD . . 3.360 1.948 1.844 2.046 . 0 0 "[ . 1 . 2]" 2
898 1 29 SER QB 1 48 LYS HG2 . . 4.440 4.238 3.912 4.423 . 0 0 "[ . 1 . 2]" 2
899 1 29 SER QB 1 50 PHE HA . . 4.820 3.752 3.351 4.388 . 0 0 "[ . 1 . 2]" 2
900 1 32 GLY H 1 33 CYS HB2 . . 5.370 4.718 4.223 4.995 . 0 0 "[ . 1 . 2]" 2
901 1 32 GLY H 1 33 CYS HB3 . . 5.500 4.212 3.914 4.611 . 0 0 "[ . 1 . 2]" 2
902 1 38 LEU HA 1 39 VAL HA . . 4.830 4.598 4.566 4.638 . 0 0 "[ . 1 . 2]" 2
903 1 41 VAL HA 1 42 ILE HA . . 4.690 4.457 4.424 4.485 . 0 0 "[ . 1 . 2]" 2
904 1 48 LYS HB3 1 50 PHE HZ . . 5.040 3.009 2.694 3.162 . 0 0 "[ . 1 . 2]" 2
905 1 48 LYS H 1 48 LYS HD3 . . 5.500 5.483 5.421 5.524 0.024 2 0 "[ . 1 . 2]" 2
906 1 50 PHE HA 1 54 HIS QB . . 5.070 4.297 4.109 4.460 . 0 0 "[ . 1 . 2]" 2
907 1 57 GLN HA 1 58 SER HA . . 5.290 4.756 4.655 4.815 . 0 0 "[ . 1 . 2]" 2
908 1 57 GLN HA 1 62 CYS HA . . 5.500 4.713 4.393 5.261 . 0 0 "[ . 1 . 2]" 2
909 1 57 GLN HA 1 57 GLN HE21 . . 5.110 4.129 3.898 4.262 . 0 0 "[ . 1 . 2]" 2
910 1 57 GLN HA 1 60 HIS HD1 . . 5.180 3.869 3.734 4.127 . 0 0 "[ . 1 . 2]" 2
911 1 57 GLN HE22 1 64 LYS HB3 . . 5.010 4.630 4.315 5.010 0.000 4 0 "[ . 1 . 2]" 2
912 1 57 GLN HE22 1 65 LEU QB . . 5.050 4.854 4.468 5.063 0.013 9 0 "[ . 1 . 2]" 2
913 1 57 GLN HE22 1 65 LEU HG . . 5.070 3.082 2.739 3.286 . 0 0 "[ . 1 . 2]" 2
914 1 57 GLN HE22 1 65 LEU MD1 . . 4.850 4.229 3.890 4.468 . 0 0 "[ . 1 . 2]" 2
915 1 34 THR HA 1 35 ASP HA . . 4.920 4.520 4.401 4.920 0.000 18 0 "[ . 1 . 2]" 2
916 1 27 SER H 1 36 VAL HA . . 5.200 4.998 4.625 5.185 . 0 0 "[ . 1 . 2]" 2
917 1 28 CYS QB 1 35 ASP H . . 4.600 2.970 2.588 3.730 . 0 0 "[ . 1 . 2]" 2
918 1 10 GLU HA 1 11 VAL QG . . 4.550 3.401 3.221 3.577 . 0 0 "[ . 1 . 2]" 2
919 1 10 GLU QG 1 11 VAL QG . . 4.480 3.936 3.626 4.475 . 0 0 "[ . 1 . 2]" 2
920 1 11 VAL H 1 11 VAL QG . . 4.020 2.708 2.362 3.042 . 0 0 "[ . 1 . 2]" 2
921 1 11 VAL HA 1 11 VAL QG . . 3.000 2.186 2.067 2.351 . 0 0 "[ . 1 . 2]" 2
922 1 13 VAL H 1 13 VAL QG . . 4.070 2.519 1.979 2.962 . 0 0 "[ . 1 . 2]" 2
923 1 13 VAL QG 1 14 VAL H . . 3.840 2.313 1.879 2.980 . 0 0 "[ . 1 . 2]" 2
924 1 13 VAL QG 1 14 VAL HA . . 4.060 3.659 3.277 4.042 . 0 0 "[ . 1 . 2]" 2
925 1 13 VAL QG 1 15 LYS HA . . 4.460 4.103 3.744 4.455 . 0 0 "[ . 1 . 2]" 2
926 1 15 LYS H 1 15 LYS QB . . 3.590 2.514 2.223 3.092 . 0 0 "[ . 1 . 2]" 2
927 1 16 GLU H 1 16 GLU QB . . 3.500 2.629 2.232 3.314 . 0 0 "[ . 1 . 2]" 2
928 1 16 GLU QB 1 17 ARG H . . 4.420 3.469 2.118 3.984 . 0 0 "[ . 1 . 2]" 2
929 1 17 ARG H 1 17 ARG QB . . 3.480 2.473 2.187 2.791 . 0 0 "[ . 1 . 2]" 2
930 1 17 ARG QB 1 18 PRO QD . . 3.560 2.778 2.001 3.473 . 0 0 "[ . 1 . 2]" 2
931 1 17 ARG QG 1 18 PRO QD . . 4.700 3.125 1.976 4.128 . 0 0 "[ . 1 . 2]" 2
932 1 19 LYS H 1 19 LYS QB . . 3.520 2.495 2.132 3.364 . 0 0 "[ . 1 . 2]" 2
933 1 19 LYS QB 1 20 THR MG . . 4.750 4.386 3.253 4.757 0.007 18 0 "[ . 1 . 2]" 2
934 1 22 GLU H 1 22 GLU QB . . 3.430 2.608 2.181 3.316 . 0 0 "[ . 1 . 2]" 2
935 1 22 GLU H 1 22 GLU QG . . 4.640 3.193 1.901 4.330 . 0 0 "[ . 1 . 2]" 2
936 1 22 GLU HA 1 22 GLU QG . . 3.610 2.828 2.194 3.496 . 0 0 "[ . 1 . 2]" 2
937 1 27 SER H 1 27 SER QB . . 3.060 2.457 2.175 2.699 . 0 0 "[ . 1 . 2]" 2
938 1 27 SER QB 1 28 CYS H . . 3.160 3.077 2.833 3.198 0.038 6 0 "[ . 1 . 2]" 2
939 1 27 SER QB 1 36 VAL MG1 . . 3.520 3.067 2.567 3.532 0.012 12 0 "[ . 1 . 2]" 2
940 1 28 CYS HA 1 29 SER QB . . 4.590 4.144 3.975 4.422 . 0 0 "[ . 1 . 2]" 2
941 1 28 CYS QB 1 30 PHE QB . . 4.280 3.441 3.188 3.695 . 0 0 "[ . 1 . 2]" 2
942 1 29 SER H 1 30 PHE QB . . 4.440 4.039 3.699 4.159 . 0 0 "[ . 1 . 2]" 2
943 1 29 SER QB 1 48 LYS QD . . 3.480 2.533 2.120 3.034 . 0 0 "[ . 1 . 2]" 2
944 1 30 PHE HA 1 31 LYS QB . . 4.210 4.093 4.068 4.135 . 0 0 "[ . 1 . 2]" 2
945 1 30 PHE QB 1 31 LYS H . . 3.850 3.507 3.077 3.816 . 0 0 "[ . 1 . 2]" 2
946 1 30 PHE QB 1 33 CYS HB2 . . 3.970 2.780 1.976 3.371 . 0 0 "[ . 1 . 2]" 2
947 1 30 PHE QB 1 33 CYS HB3 . . 3.580 2.226 2.005 2.397 . 0 0 "[ . 1 . 2]" 2
948 1 30 PHE QB 1 50 PHE QD . . 3.920 2.629 2.282 3.074 . 0 0 "[ . 1 . 2]" 2
949 1 30 PHE QB 1 60 HIS HB2 . . 4.440 3.114 2.540 4.229 . 0 0 "[ . 1 . 2]" 2
950 1 30 PHE QE 1 61 ASP QB . . 4.440 3.334 2.254 4.363 . 0 0 "[ . 1 . 2]" 2
951 1 31 LYS H 1 31 LYS QB . . 2.830 2.257 2.220 2.341 . 0 0 "[ . 1 . 2]" 2
952 1 31 LYS HA 1 31 LYS QG . . 3.340 2.489 2.380 2.578 . 0 0 "[ . 1 . 2]" 2
953 1 31 LYS HA 1 32 GLY QA . . 4.020 3.892 3.888 3.901 . 0 0 "[ . 1 . 2]" 2
954 1 31 LYS QB 1 31 LYS QE . . 4.560 2.888 1.989 3.676 . 0 0 "[ . 1 . 2]" 2
955 1 31 LYS QE 1 31 LYS QG . . 3.460 2.242 2.080 2.556 . 0 0 "[ . 1 . 2]" 2
956 1 31 LYS QG 1 32 GLY H . . 3.830 3.586 3.340 3.768 . 0 0 "[ . 1 . 2]" 2
957 1 31 LYS QG 1 32 GLY QA . . 3.900 3.546 3.457 3.702 . 0 0 "[ . 1 . 2]" 2
958 1 45 TYR HA 1 64 LYS QE . . 4.700 3.366 2.874 4.602 . 0 0 "[ . 1 . 2]" 2
959 1 45 TYR QD 1 57 GLN QG . . 3.520 3.212 3.075 3.347 . 0 0 "[ . 1 . 2]" 2
960 1 45 TYR QE 1 57 GLN QG . . 4.040 3.408 3.187 3.615 . 0 0 "[ . 1 . 2]" 2
961 1 46 CYS HA 1 64 LYS QD . . 4.270 3.379 2.828 4.179 . 0 0 "[ . 1 . 2]" 2
962 1 46 CYS HA 1 64 LYS QE . . 4.110 3.615 2.557 4.008 . 0 0 "[ . 1 . 2]" 2
963 1 46 CYS HB2 1 48 LYS QE . . 4.720 3.122 2.279 3.983 . 0 0 "[ . 1 . 2]" 2
964 1 46 CYS HB2 1 63 GLU QG . . 4.350 3.496 2.753 4.222 . 0 0 "[ . 1 . 2]" 2
965 1 46 CYS HB3 1 63 GLU QG . . 4.030 2.900 2.363 3.547 . 0 0 "[ . 1 . 2]" 2
966 1 48 LYS H 1 48 LYS QD . . 4.730 4.667 4.512 4.742 0.012 16 0 "[ . 1 . 2]" 2
967 1 48 LYS HA 1 48 LYS QD . . 4.060 3.711 3.635 3.846 . 0 0 "[ . 1 . 2]" 2
968 1 48 LYS HB2 1 48 LYS QE . . 4.560 4.021 3.779 4.260 . 0 0 "[ . 1 . 2]" 2
969 1 48 LYS HB3 1 48 LYS QD . . 3.000 2.247 2.189 2.334 . 0 0 "[ . 1 . 2]" 2
970 1 48 LYS HB3 1 48 LYS QE . . 4.660 4.009 3.881 4.070 . 0 0 "[ . 1 . 2]" 2
971 1 48 LYS QD 1 49 ASN H . . 4.520 4.270 4.120 4.468 . 0 0 "[ . 1 . 2]" 2
972 1 48 LYS QD 1 50 PHE QE . . 4.130 3.469 3.335 3.611 . 0 0 "[ . 1 . 2]" 2
973 1 53 ARG H 1 53 ARG QB . . 2.850 2.279 2.154 2.503 . 0 0 "[ . 1 . 2]" 2
974 1 53 ARG H 1 53 ARG QG . . 3.850 2.896 2.044 3.948 0.098 8 0 "[ . 1 . 2]" 2
975 1 53 ARG HA 1 53 ARG QG . . 3.320 2.554 2.180 2.988 . 0 0 "[ . 1 . 2]" 2
976 1 53 ARG QB 1 53 ARG QD . . 3.330 2.212 2.035 2.668 . 0 0 "[ . 1 . 2]" 2
977 1 54 HIS HA 1 59 ASP QB . . 3.220 2.069 1.946 2.442 . 0 0 "[ . 1 . 2]" 2
978 1 54 HIS HD2 1 59 ASP QB . . 3.770 3.107 2.791 3.703 . 0 0 "[ . 1 . 2]" 2
979 1 55 ARG H 1 59 ASP QB . . 4.720 3.961 3.736 4.613 . 0 0 "[ . 1 . 2]" 2
980 1 56 HIS H 1 59 ASP QB . . 3.880 3.085 2.875 3.887 0.007 14 0 "[ . 1 . 2]" 2
981 1 56 HIS QB 1 59 ASP QB . . 4.100 2.137 1.969 2.579 . 0 0 "[ . 1 . 2]" 2
982 1 57 GLN H 1 57 GLN QG . . 4.650 2.803 2.524 3.219 . 0 0 "[ . 1 . 2]" 2
983 1 57 GLN QB 1 57 GLN HE22 . . 4.200 3.571 3.424 3.668 . 0 0 "[ . 1 . 2]" 2
984 1 57 GLN QB 1 62 CYS HB2 . . 3.860 2.728 2.260 3.434 . 0 0 "[ . 1 . 2]" 2
985 1 57 GLN QB 1 62 CYS HB3 . . 4.000 2.916 2.414 3.579 . 0 0 "[ . 1 . 2]" 2
986 1 57 GLN QB 1 65 LEU MD2 . . 3.800 2.847 2.587 2.960 . 0 0 "[ . 1 . 2]" 2
987 1 57 GLN HE22 1 57 GLN QG . . 3.510 3.303 3.271 3.357 . 0 0 "[ . 1 . 2]" 2
988 1 57 GLN QG 1 60 HIS HE1 . . 3.770 3.289 3.102 3.432 . 0 0 "[ . 1 . 2]" 2
989 1 57 GLN QG 1 65 LEU MD1 . . 4.490 3.834 3.478 4.070 . 0 0 "[ . 1 . 2]" 2
990 1 57 GLN QG 1 65 LEU MD2 . . 4.830 4.048 3.698 4.260 . 0 0 "[ . 1 . 2]" 2
991 1 58 SER QB 1 65 LEU MD1 . . 3.870 3.144 2.292 3.793 . 0 0 "[ . 1 . 2]" 2
992 1 59 ASP H 1 59 ASP QB . . 3.510 2.398 2.165 3.050 . 0 0 "[ . 1 . 2]" 2
993 1 59 ASP QB 1 60 HIS H . . 3.740 2.626 2.404 3.540 . 0 0 "[ . 1 . 2]" 2
994 1 63 GLU QG 1 64 LYS H . . 3.800 2.152 1.896 2.438 . 0 0 "[ . 1 . 2]" 2
995 1 63 GLU QG 1 64 LYS HG2 . . 3.960 2.524 2.039 2.927 . 0 0 "[ . 1 . 2]" 2
996 1 63 GLU QG 1 64 LYS QD . . 4.120 3.251 2.881 3.936 . 0 0 "[ . 1 . 2]" 2
997 1 64 LYS H 1 64 LYS QD . . 4.200 3.613 3.335 3.923 . 0 0 "[ . 1 . 2]" 2
998 1 64 LYS HA 1 64 LYS QD . . 3.170 2.045 1.973 2.269 . 0 0 "[ . 1 . 2]" 2
999 1 64 LYS HA 1 64 LYS QE . . 4.640 3.868 3.309 4.263 . 0 0 "[ . 1 . 2]" 2
1000 1 64 LYS HB2 1 64 LYS QE . . 4.860 3.752 3.365 4.314 . 0 0 "[ . 1 . 2]" 2
1001 1 64 LYS HB3 1 64 LYS QD . . 3.670 2.532 2.202 2.720 . 0 0 "[ . 1 . 2]" 2
1002 1 64 LYS HB3 1 64 LYS QE . . 4.060 2.781 1.979 3.792 . 0 0 "[ . 1 . 2]" 2
1003 1 64 LYS QE 1 64 LYS HG2 . . 3.360 3.190 2.682 3.291 . 0 0 "[ . 1 . 2]" 2
1004 1 64 LYS QE 1 64 LYS HG3 . . 3.420 2.187 2.066 2.350 . 0 0 "[ . 1 . 2]" 2
1005 1 65 LEU HA 1 66 GLU QB . . 4.570 4.254 3.960 4.569 . 0 0 "[ . 1 . 2]" 2
1006 1 65 LEU QB 1 66 GLU QB . . 5.340 4.284 4.059 4.605 . 0 0 "[ . 1 . 2]" 2
1007 1 66 GLU H 1 66 GLU QB . . 3.110 2.410 2.231 2.705 . 0 0 "[ . 1 . 2]" 2
1008 1 66 GLU H 1 66 GLU QG . . 4.100 3.299 1.891 4.081 . 0 0 "[ . 1 . 2]" 2
1009 1 66 GLU HA 1 66 GLU QG . . 3.500 2.708 2.155 3.417 . 0 0 "[ . 1 . 2]" 2
1010 1 66 GLU QG 1 67 VAL H . . 4.650 4.313 3.788 4.676 0.026 1 0 "[ . 1 . 2]" 2
1011 1 66 GLU QG 1 67 VAL QG . . 4.850 4.482 2.669 4.886 0.036 1 0 "[ . 1 . 2]" 2
1012 1 67 VAL H 1 67 VAL QG . . 3.190 2.373 1.828 2.936 . 0 0 "[ . 1 . 2]" 2
1013 1 67 VAL QG 1 68 ALA H . . 4.070 2.699 1.907 3.762 . 0 0 "[ . 1 . 2]" 2
1014 1 67 VAL QG 1 68 ALA HA . . 5.340 3.760 3.021 4.183 . 0 0 "[ . 1 . 2]" 2
1015 1 67 VAL QG 1 69 LYS H . . 5.070 4.388 2.815 5.014 . 0 0 "[ . 1 . 2]" 2
1016 1 69 LYS H 1 69 LYS QB . . 3.170 2.593 2.148 3.205 0.035 18 0 "[ . 1 . 2]" 2
1017 1 69 LYS H 1 69 LYS QG . . 3.990 2.978 1.843 4.105 0.115 14 0 "[ . 1 . 2]" 2
1018 1 69 LYS H 1 70 PRO QD . . 4.430 4.177 2.504 4.367 . 0 0 "[ . 1 . 2]" 2
1019 1 69 LYS HA 1 71 ARG QG . . 4.630 4.418 2.876 4.667 0.037 17 0 "[ . 1 . 2]" 2
1020 1 69 LYS QB 1 70 PRO QD . . 3.550 2.620 1.991 3.788 0.238 14 0 "[ . 1 . 2]" 2
1021 1 69 LYS QB 1 71 ARG H . . 4.100 2.725 2.216 4.226 0.126 16 0 "[ . 1 . 2]" 2
1022 1 70 PRO QD 1 71 ARG QG . . 4.420 3.484 3.029 4.366 . 0 0 "[ . 1 . 2]" 2
1023 1 71 ARG H 1 71 ARG QG . . 4.890 2.328 1.879 3.238 . 0 0 "[ . 1 . 2]" 2
1024 1 78 LEU H 1 78 LEU QB . . 3.610 2.460 2.102 3.328 . 0 0 "[ . 1 . 2]" 2
1025 1 78 LEU HA 1 78 LEU QD . . 3.950 2.658 1.909 3.421 . 0 0 "[ . 1 . 2]" 2
1026 1 78 LEU QB 1 79 VAL H . . 4.430 3.316 2.462 4.020 . 0 0 "[ . 1 . 2]" 2
1027 1 78 LEU QD 1 79 VAL H . . 4.600 3.292 2.223 4.524 . 0 0 "[ . 1 . 2]" 2
1028 1 79 VAL H 1 80 ARG QB . . 4.780 4.483 3.960 4.758 . 0 0 "[ . 1 . 2]" 2
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