NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506444 |
1x6e   |
10243 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6e
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 24
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 7.988
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 17 CYS 0.111 0.017 19 0 "[ . 1 . 2]"
1 20 CYS 0.108 0.017 19 0 "[ . 1 . 2]"
1 33 HIS 0.081 0.017 19 0 "[ . 1 . 2]"
1 37 HIS 0.091 0.017 19 0 "[ . 1 . 2]"
1 45 CYS 0.057 0.010 14 0 "[ . 1 . 2]"
1 48 CYS 0.053 0.006 20 0 "[ . 1 . 2]"
1 61 HIS 0.029 0.010 14 0 "[ . 1 . 2]"
1 65 HIS 0.019 0.004 6 0 "[ . 1 . 2]"
2 1 ZN 0.193 0.017 19 0 "[ . 1 . 2]"
3 1 ZN 0.056 0.006 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 17 CYS SG 2 1 ZN ZN . 2.330 2.370 2.342 2.313 2.370 0.017 19 0 "[ . 1 . 2]" 1
2 1 20 CYS SG 2 1 ZN ZN . 2.330 2.370 2.337 2.313 2.372 0.017 19 0 "[ . 1 . 2]" 1
3 1 33 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.338 2.317 2.368 0.013 19 0 "[ . 1 . 2]" 1
4 1 37 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.335 2.313 2.362 0.017 19 0 "[ . 1 . 2]" 1
5 1 17 CYS CB 2 1 ZN ZN . 3.250 3.510 3.350 3.250 3.516 0.006 16 0 "[ . 1 . 2]" 1
6 1 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.407 3.246 3.518 0.008 12 0 "[ . 1 . 2]" 1
7 1 17 CYS SG 1 20 CYS SG . 3.200 4.000 3.947 3.695 4.009 0.009 19 0 "[ . 1 . 2]" 1
8 1 17 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.870 3.361 4.003 0.003 18 0 "[ . 1 . 2]" 1
9 1 17 CYS SG 1 37 HIS NE2 . 3.200 4.000 3.980 3.624 4.010 0.010 12 0 "[ . 1 . 2]" 1
10 1 20 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.242 3.195 3.441 0.005 2 0 "[ . 1 . 2]" 1
11 1 20 CYS SG 1 37 HIS NE2 . 3.200 4.000 3.858 3.447 3.991 . 0 0 "[ . 1 . 2]" 1
12 1 33 HIS NE2 1 37 HIS NE2 . 3.200 4.000 3.789 3.227 4.017 0.017 19 0 "[ . 1 . 2]" 1
13 1 45 CYS SG 3 1 ZN ZN . 2.330 2.370 2.338 2.326 2.357 0.004 2 0 "[ . 1 . 2]" 1
14 1 48 CYS SG 3 1 ZN ZN . 2.330 2.370 2.335 2.325 2.368 0.005 6 0 "[ . 1 . 2]" 1
15 1 61 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.344 2.324 2.371 0.006 14 0 "[ . 1 . 2]" 1
16 1 65 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.337 2.326 2.363 0.004 6 0 "[ . 1 . 2]" 1
17 1 45 CYS CB 3 1 ZN ZN . 3.250 3.510 3.453 3.368 3.512 0.002 10 0 "[ . 1 . 2]" 1
18 1 48 CYS CB 3 1 ZN ZN . 3.250 3.510 3.429 3.262 3.510 0.000 6 0 "[ . 1 . 2]" 1
19 1 45 CYS SG 1 48 CYS SG . 3.200 4.000 3.993 3.950 4.006 0.006 20 0 "[ . 1 . 2]" 1
20 1 45 CYS SG 1 61 HIS NE2 . 3.200 4.000 3.925 3.394 4.010 0.010 14 0 "[ . 1 . 2]" 1
21 1 45 CYS SG 1 65 HIS NE2 . 3.200 4.000 3.989 3.898 4.003 0.003 12 0 "[ . 1 . 2]" 1
22 1 48 CYS SG 1 61 HIS NE2 . 3.200 4.000 3.243 3.197 3.437 0.003 19 0 "[ . 1 . 2]" 1
23 1 48 CYS SG 1 65 HIS NE2 . 3.200 4.000 3.950 3.825 4.001 0.001 6 0 "[ . 1 . 2]" 1
24 1 61 HIS NE2 1 65 HIS NE2 . 3.200 4.000 3.548 3.199 3.764 0.001 12 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 1287
_Distance_constraint_stats_list.Viol_count 712
_Distance_constraint_stats_list.Viol_total 339.959
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0239
_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 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 0.145 0.057 7 0 "[ . 1 . 2]"
1 14 PRO 1.644 0.125 20 0 "[ . 1 . 2]"
1 15 TYR 1.537 0.125 20 0 "[ . 1 . 2]"
1 16 GLY 0.189 0.036 17 0 "[ . 1 . 2]"
1 17 CYS 0.960 0.086 15 0 "[ . 1 . 2]"
1 18 VAL 0.223 0.111 19 0 "[ . 1 . 2]"
1 19 GLU 0.685 0.111 19 0 "[ . 1 . 2]"
1 20 CYS 0.104 0.036 18 0 "[ . 1 . 2]"
1 21 GLY 0.775 0.097 19 0 "[ . 1 . 2]"
1 22 LYS 1.866 0.126 5 0 "[ . 1 . 2]"
1 23 ALA 1.736 0.084 20 0 "[ . 1 . 2]"
1 24 PHE 2.330 0.151 7 0 "[ . 1 . 2]"
1 25 SER 0.176 0.037 12 0 "[ . 1 . 2]"
1 26 ARG 1.000 0.089 19 0 "[ . 1 . 2]"
1 27 SER 0.018 0.013 17 0 "[ . 1 . 2]"
1 28 SER 0.060 0.015 13 0 "[ . 1 . 2]"
1 29 ILE 1.547 0.106 7 0 "[ . 1 . 2]"
1 30 LEU 0.683 0.070 18 0 "[ . 1 . 2]"
1 31 VAL 0.952 0.151 7 0 "[ . 1 . 2]"
1 32 GLN 0.531 0.102 17 0 "[ . 1 . 2]"
1 33 HIS 0.844 0.061 16 0 "[ . 1 . 2]"
1 34 GLN 0.326 0.043 19 0 "[ . 1 . 2]"
1 35 ARG 0.285 0.096 14 0 "[ . 1 . 2]"
1 36 VAL 0.230 0.096 14 0 "[ . 1 . 2]"
1 37 HIS 0.141 0.033 14 0 "[ . 1 . 2]"
1 38 THR 0.048 0.015 10 0 "[ . 1 . 2]"
1 39 GLY 0.053 0.033 9 0 "[ . 1 . 2]"
1 40 GLU 0.202 0.075 3 0 "[ . 1 . 2]"
1 41 LYS 1.466 0.101 20 0 "[ . 1 . 2]"
1 42 PRO 1.381 0.111 18 0 "[ . 1 . 2]"
1 43 TYR 0.373 0.111 18 0 "[ . 1 . 2]"
1 44 LYS 0.315 0.050 17 0 "[ . 1 . 2]"
1 45 CYS 1.500 0.112 12 0 "[ . 1 . 2]"
1 46 LEU 1.785 0.112 12 0 "[ . 1 . 2]"
1 47 GLU 0.135 0.049 17 0 "[ . 1 . 2]"
1 48 CYS 0.069 0.022 17 0 "[ . 1 . 2]"
1 49 GLY 0.153 0.050 17 0 "[ . 1 . 2]"
1 50 LYS 0.435 0.086 17 0 "[ . 1 . 2]"
1 51 ALA 0.718 0.090 20 0 "[ . 1 . 2]"
1 52 PHE 0.227 0.034 4 0 "[ . 1 . 2]"
1 53 SER 0.328 0.055 20 0 "[ . 1 . 2]"
1 54 GLN 0.133 0.037 12 0 "[ . 1 . 2]"
1 55 ASN 0.016 0.011 2 0 "[ . 1 . 2]"
1 56 SER 0.212 0.017 2 0 "[ . 1 . 2]"
1 57 GLY 1.158 0.072 9 0 "[ . 1 . 2]"
1 58 LEU 1.237 0.072 9 0 "[ . 1 . 2]"
1 59 ILE 0.449 0.084 17 0 "[ . 1 . 2]"
1 60 ASN 0.395 0.084 17 0 "[ . 1 . 2]"
1 61 HIS 0.110 0.024 12 0 "[ . 1 . 2]"
1 62 GLN 0.157 0.061 12 0 "[ . 1 . 2]"
1 63 ARG 0.021 0.012 12 0 "[ . 1 . 2]"
1 64 ILE 0.139 0.077 10 0 "[ . 1 . 2]"
1 65 HIS 0.065 0.024 12 0 "[ . 1 . 2]"
1 66 THR 0.040 0.012 7 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 43 TYR H 1 44 LYS H . . 4.650 4.327 4.176 4.435 . 0 0 "[ . 1 . 2]" 2
2 1 44 LYS H 1 51 ALA HA . . 4.860 4.587 4.344 4.875 0.015 7 0 "[ . 1 . 2]" 2
3 1 43 TYR HA 1 44 LYS H . . 2.780 2.153 2.137 2.184 . 0 0 "[ . 1 . 2]" 2
4 1 42 PRO HA 1 44 LYS H . . 5.500 5.304 5.040 5.502 0.002 2 0 "[ . 1 . 2]" 2
5 1 43 TYR HB3 1 44 LYS H . . 3.860 3.697 3.563 3.854 . 0 0 "[ . 1 . 2]" 2
6 1 44 LYS H 1 44 LYS HB3 . . 3.920 2.702 2.463 2.913 . 0 0 "[ . 1 . 2]" 2
7 1 44 LYS H 1 44 LYS QG . . 4.230 4.076 3.990 4.171 . 0 0 "[ . 1 . 2]" 2
8 1 44 LYS H 1 58 LEU MD2 . . 3.700 3.341 3.046 3.606 . 0 0 "[ . 1 . 2]" 2
9 1 17 CYS H 1 24 PHE H . . 5.240 4.950 4.372 5.259 0.019 14 0 "[ . 1 . 2]" 2
10 1 17 CYS H 1 22 LYS H . . 4.460 3.408 2.582 4.359 . 0 0 "[ . 1 . 2]" 2
11 1 17 CYS H 1 24 PHE QD . . 4.900 4.404 3.877 4.911 0.011 9 0 "[ . 1 . 2]" 2
12 1 17 CYS H 1 33 HIS HD2 . . 5.500 5.158 4.591 5.521 0.021 18 0 "[ . 1 . 2]" 2
13 1 17 CYS H 1 24 PHE QE . . 4.790 4.147 2.716 4.798 0.008 20 0 "[ . 1 . 2]" 2
14 1 17 CYS H 1 23 ALA HA . . 3.810 3.277 2.822 3.658 . 0 0 "[ . 1 . 2]" 2
15 1 16 GLY HA2 1 17 CYS H . . 3.180 2.269 2.169 2.512 . 0 0 "[ . 1 . 2]" 2
16 1 17 CYS H 1 18 VAL HA . . 5.500 5.237 4.906 5.440 . 0 0 "[ . 1 . 2]" 2
17 1 17 CYS H 1 22 LYS HA . . 5.500 4.442 4.286 4.640 . 0 0 "[ . 1 . 2]" 2
18 1 16 GLY HA3 1 17 CYS H . . 3.370 2.928 2.614 3.104 . 0 0 "[ . 1 . 2]" 2
19 1 17 CYS H 1 17 CYS HB2 . . 3.480 2.853 2.374 3.121 . 0 0 "[ . 1 . 2]" 2
20 1 17 CYS H 1 17 CYS HB3 . . 3.480 2.412 2.272 2.691 . 0 0 "[ . 1 . 2]" 2
21 1 17 CYS H 1 30 LEU MD1 . . 3.930 3.015 2.385 3.477 . 0 0 "[ . 1 . 2]" 2
22 1 58 LEU H 1 61 HIS H . . 5.140 4.875 4.802 4.968 . 0 0 "[ . 1 . 2]" 2
23 1 54 GLN HB2 1 58 LEU H . . 5.130 4.891 4.637 5.132 0.002 1 0 "[ . 1 . 2]" 2
24 1 58 LEU H 1 59 ILE H . . 3.250 2.661 2.548 2.739 . 0 0 "[ . 1 . 2]" 2
25 1 58 LEU H 1 60 ASN H . . 4.500 4.417 4.316 4.531 0.031 12 0 "[ . 1 . 2]" 2
26 1 52 PHE HB3 1 58 LEU H . . 4.130 3.536 3.303 3.774 . 0 0 "[ . 1 . 2]" 2
27 1 58 LEU H 1 61 HIS HB3 . . 5.490 5.008 4.807 5.209 . 0 0 "[ . 1 . 2]" 2
28 1 43 TYR HB3 1 58 LEU H . . 5.440 4.932 4.596 5.361 . 0 0 "[ . 1 . 2]" 2
29 1 52 PHE HB2 1 58 LEU H . . 3.960 3.243 3.005 3.454 . 0 0 "[ . 1 . 2]" 2
30 1 58 LEU H 1 58 LEU HB3 . . 3.170 2.180 2.137 2.228 . 0 0 "[ . 1 . 2]" 2
31 1 58 LEU H 1 59 ILE HB . . 5.030 4.904 4.813 5.043 0.013 12 0 "[ . 1 . 2]" 2
32 1 58 LEU H 1 58 LEU HG . . 4.350 4.196 4.105 4.268 . 0 0 "[ . 1 . 2]" 2
33 1 58 LEU H 1 58 LEU HB2 . . 3.330 2.895 2.820 2.972 . 0 0 "[ . 1 . 2]" 2
34 1 58 LEU H 1 59 ILE MD . . 5.320 5.042 4.337 5.289 . 0 0 "[ . 1 . 2]" 2
35 1 51 ALA H 1 52 PHE H . . 4.720 4.526 4.410 4.577 . 0 0 "[ . 1 . 2]" 2
36 1 50 LYS HA 1 51 ALA H . . 2.710 2.264 2.166 2.591 . 0 0 "[ . 1 . 2]" 2
37 1 41 LYS QE 1 51 ALA H . . 5.500 5.334 4.731 5.590 0.090 20 0 "[ . 1 . 2]" 2
38 1 50 LYS HB2 1 51 ALA H . . 4.220 4.102 3.556 4.270 0.050 20 0 "[ . 1 . 2]" 2
39 1 51 ALA H 1 51 ALA MB . . 2.930 2.298 2.176 2.579 . 0 0 "[ . 1 . 2]" 2
40 1 50 LYS H 1 51 ALA HA . . 4.910 4.564 4.456 4.729 . 0 0 "[ . 1 . 2]" 2
41 1 45 CYS HB3 1 50 LYS H . . 3.400 2.021 1.895 2.219 . 0 0 "[ . 1 . 2]" 2
42 1 45 CYS HB2 1 50 LYS H . . 3.810 3.088 2.621 3.502 . 0 0 "[ . 1 . 2]" 2
43 1 50 LYS H 1 50 LYS HB2 . . 3.850 3.221 2.697 3.447 . 0 0 "[ . 1 . 2]" 2
44 1 21 GLY H 1 22 LYS H . . 3.820 2.070 1.840 2.511 . 0 0 "[ . 1 . 2]" 2
45 1 17 CYS HB3 1 22 LYS H . . 4.130 2.132 1.871 2.863 . 0 0 "[ . 1 . 2]" 2
46 1 22 LYS H 1 24 PHE QE . . 5.330 4.572 3.977 5.350 0.020 12 0 "[ . 1 . 2]" 2
47 1 17 CYS HB2 1 22 LYS H . . 4.130 3.659 2.820 4.168 0.038 16 0 "[ . 1 . 2]" 2
48 1 22 LYS H 1 22 LYS HB2 . . 3.890 2.307 2.156 2.726 . 0 0 "[ . 1 . 2]" 2
49 1 22 LYS H 1 22 LYS HB3 . . 3.890 3.365 2.376 3.602 . 0 0 "[ . 1 . 2]" 2
50 1 22 LYS H 1 22 LYS HG3 . . 4.630 3.868 3.166 4.353 . 0 0 "[ . 1 . 2]" 2
51 1 30 LEU H 1 33 HIS H . . 4.750 4.732 4.600 4.811 0.061 16 0 "[ . 1 . 2]" 2
52 1 29 ILE H 1 30 LEU H . . 3.220 2.671 2.436 2.872 . 0 0 "[ . 1 . 2]" 2
53 1 28 SER HA 1 30 LEU H . . 4.940 4.441 4.075 4.632 . 0 0 "[ . 1 . 2]" 2
54 1 27 SER HA 1 30 LEU H . . 3.720 3.298 3.167 3.555 . 0 0 "[ . 1 . 2]" 2
55 1 15 TYR HB3 1 30 LEU H . . 5.380 5.009 4.844 5.300 . 0 0 "[ . 1 . 2]" 2
56 1 24 PHE HB2 1 30 LEU H . . 4.190 3.213 2.855 3.581 . 0 0 "[ . 1 . 2]" 2
57 1 30 LEU H 1 30 LEU HB3 . . 3.220 2.303 2.166 2.412 . 0 0 "[ . 1 . 2]" 2
58 1 30 LEU H 1 31 VAL HB . . 4.960 4.848 4.641 4.981 0.021 8 0 "[ . 1 . 2]" 2
59 1 29 ILE HB 1 30 LEU H . . 3.480 2.627 2.405 2.894 . 0 0 "[ . 1 . 2]" 2
60 1 30 LEU H 1 30 LEU HG . . 5.500 4.319 4.140 4.425 . 0 0 "[ . 1 . 2]" 2
61 1 30 LEU H 1 30 LEU HB2 . . 3.390 2.738 2.599 2.929 . 0 0 "[ . 1 . 2]" 2
62 1 29 ILE MG 1 30 LEU H . . 3.850 3.494 3.325 3.745 . 0 0 "[ . 1 . 2]" 2
63 1 29 ILE H 1 32 GLN H . . 5.110 4.956 4.789 5.110 0.000 9 0 "[ . 1 . 2]" 2
64 1 28 SER QB 1 29 ILE H . . 4.390 2.886 2.402 3.526 . 0 0 "[ . 1 . 2]" 2
65 1 29 ILE H 1 30 LEU HA . . 5.500 5.276 5.086 5.431 . 0 0 "[ . 1 . 2]" 2
66 1 24 PHE HB3 1 29 ILE H . . 5.340 4.606 4.375 4.936 . 0 0 "[ . 1 . 2]" 2
67 1 26 ARG HB2 1 29 ILE H . . 3.900 3.091 2.785 3.504 . 0 0 "[ . 1 . 2]" 2
68 1 29 ILE H 1 29 ILE HB . . 3.300 2.542 2.432 2.631 . 0 0 "[ . 1 . 2]" 2
69 1 26 ARG HB3 1 29 ILE H . . 3.900 3.095 2.498 3.909 0.009 18 0 "[ . 1 . 2]" 2
70 1 29 ILE H 1 29 ILE HG12 . . 3.700 3.448 3.008 3.759 0.059 7 0 "[ . 1 . 2]" 2
71 1 29 ILE H 1 30 LEU HB2 . . 5.490 5.280 5.012 5.497 0.007 16 0 "[ . 1 . 2]" 2
72 1 29 ILE H 1 29 ILE HG13 . . 3.700 2.107 1.934 2.376 . 0 0 "[ . 1 . 2]" 2
73 1 29 ILE H 1 29 ILE MG . . 4.160 3.762 3.747 3.772 . 0 0 "[ . 1 . 2]" 2
74 1 23 ALA H 1 24 PHE H . . 4.780 4.522 4.446 4.599 . 0 0 "[ . 1 . 2]" 2
75 1 23 ALA H 1 24 PHE QE . . 5.200 4.832 4.566 4.916 . 0 0 "[ . 1 . 2]" 2
76 1 16 GLY HA2 1 23 ALA H . . 5.050 4.462 4.391 4.563 . 0 0 "[ . 1 . 2]" 2
77 1 22 LYS HA 1 23 ALA H . . 2.810 2.156 2.141 2.186 . 0 0 "[ . 1 . 2]" 2
78 1 22 LYS QD 1 23 ALA H . . 4.160 3.554 3.078 4.205 0.045 20 0 "[ . 1 . 2]" 2
79 1 23 ALA H 1 23 ALA MB . . 3.200 2.313 2.123 2.437 . 0 0 "[ . 1 . 2]" 2
80 1 17 CYS HA 1 19 GLU H . . 4.630 4.075 3.401 4.254 . 0 0 "[ . 1 . 2]" 2
81 1 19 GLU H 1 37 HIS HD2 . . 5.500 5.145 4.375 5.526 0.026 19 0 "[ . 1 . 2]" 2
82 1 17 CYS HB2 1 19 GLU H . . 5.140 4.594 4.228 4.862 . 0 0 "[ . 1 . 2]" 2
83 1 17 CYS HB3 1 19 GLU H . . 5.140 4.291 2.664 4.589 . 0 0 "[ . 1 . 2]" 2
84 1 19 GLU H 1 34 GLN HG2 . . 5.500 4.685 3.756 5.518 0.018 14 0 "[ . 1 . 2]" 2
85 1 18 VAL HB 1 19 GLU H . . 4.370 4.077 3.978 4.481 0.111 19 0 "[ . 1 . 2]" 2
86 1 19 GLU H 1 19 GLU HG2 . . 4.150 2.642 1.899 3.818 . 0 0 "[ . 1 . 2]" 2
87 1 19 GLU H 1 19 GLU HG3 . . 4.150 3.363 2.233 4.088 . 0 0 "[ . 1 . 2]" 2
88 1 19 GLU H 1 19 GLU QB . . 3.100 2.416 2.190 2.621 . 0 0 "[ . 1 . 2]" 2
89 1 18 VAL MG1 1 19 GLU H . . 3.750 2.097 1.871 3.382 . 0 0 "[ . 1 . 2]" 2
90 1 13 LYS H 1 14 PRO QD . . 5.130 3.687 2.316 4.098 . 0 0 "[ . 1 . 2]" 2
91 1 45 CYS HA 1 47 GLU H . . 4.150 3.697 3.369 4.062 . 0 0 "[ . 1 . 2]" 2
92 1 45 CYS HB3 1 47 GLU H . . 4.580 3.983 3.407 4.360 . 0 0 "[ . 1 . 2]" 2
93 1 45 CYS HB2 1 47 GLU H . . 5.490 4.577 4.269 5.025 . 0 0 "[ . 1 . 2]" 2
94 1 46 LEU HB2 1 47 GLU H . . 4.370 3.410 2.949 3.939 . 0 0 "[ . 1 . 2]" 2
95 1 47 GLU H 1 47 GLU HG3 . . 4.840 4.249 3.253 4.595 . 0 0 "[ . 1 . 2]" 2
96 1 46 LEU HB3 1 47 GLU H . . 4.370 4.000 3.494 4.387 0.017 4 0 "[ . 1 . 2]" 2
97 1 47 GLU H 1 47 GLU HB2 . . 3.770 2.398 2.192 2.669 . 0 0 "[ . 1 . 2]" 2
98 1 47 GLU H 1 58 LEU MD1 . . 5.170 4.858 4.542 5.181 0.011 14 0 "[ . 1 . 2]" 2
99 1 32 GLN H 1 33 HIS H . . 3.440 2.625 2.510 2.699 . 0 0 "[ . 1 . 2]" 2
100 1 33 HIS H 1 33 HIS HD2 . . 4.740 4.497 4.320 4.649 . 0 0 "[ . 1 . 2]" 2
101 1 24 PHE QE 1 33 HIS H . . 5.190 4.829 4.428 5.184 . 0 0 "[ . 1 . 2]" 2
102 1 29 ILE HA 1 33 HIS H . . 4.950 4.534 4.325 4.692 . 0 0 "[ . 1 . 2]" 2
103 1 31 VAL HA 1 33 HIS H . . 5.290 4.142 3.950 4.448 . 0 0 "[ . 1 . 2]" 2
104 1 30 LEU HA 1 33 HIS H . . 3.890 3.365 3.257 3.484 . 0 0 "[ . 1 . 2]" 2
105 1 33 HIS H 1 33 HIS HB3 . . 3.150 2.250 2.177 2.311 . 0 0 "[ . 1 . 2]" 2
106 1 33 HIS H 1 34 GLN HG2 . . 5.500 5.253 4.868 5.479 . 0 0 "[ . 1 . 2]" 2
107 1 33 HIS H 1 33 HIS HB2 . . 3.260 3.019 2.873 3.148 . 0 0 "[ . 1 . 2]" 2
108 1 33 HIS H 1 34 GLN HB2 . . 4.600 4.425 4.240 4.607 0.007 16 0 "[ . 1 . 2]" 2
109 1 32 GLN QB 1 33 HIS H . . 3.400 2.886 2.573 3.461 0.061 9 0 "[ . 1 . 2]" 2
110 1 30 LEU HG 1 33 HIS H . . 5.410 4.938 4.679 5.233 . 0 0 "[ . 1 . 2]" 2
111 1 30 LEU MD1 1 33 HIS H . . 4.640 4.314 4.129 4.554 . 0 0 "[ . 1 . 2]" 2
112 1 29 ILE MG 1 33 HIS H . . 4.370 4.293 4.079 4.384 0.014 19 0 "[ . 1 . 2]" 2
113 1 8 ILE H 1 8 ILE HG12 . . 5.220 3.606 2.108 4.967 . 0 0 "[ . 1 . 2]" 2
114 1 8 ILE H 1 8 ILE HG13 . . 5.220 3.406 2.295 4.780 . 0 0 "[ . 1 . 2]" 2
115 1 8 ILE H 1 8 ILE MD . . 5.500 3.594 1.795 4.993 . 0 0 "[ . 1 . 2]" 2
116 1 59 ILE H 1 61 HIS H . . 4.890 3.894 3.795 4.003 . 0 0 "[ . 1 . 2]" 2
117 1 57 GLY H 1 59 ILE H . . 4.600 3.958 3.805 4.084 . 0 0 "[ . 1 . 2]" 2
118 1 56 SER HA 1 59 ILE H . . 4.050 3.945 3.823 4.064 0.014 4 0 "[ . 1 . 2]" 2
119 1 55 ASN HA 1 59 ILE H . . 4.440 3.957 3.797 4.210 . 0 0 "[ . 1 . 2]" 2
120 1 58 LEU HB3 1 59 ILE H . . 3.500 2.797 2.684 2.961 . 0 0 "[ . 1 . 2]" 2
121 1 59 ILE H 1 59 ILE HB . . 3.090 2.580 2.521 2.662 . 0 0 "[ . 1 . 2]" 2
122 1 59 ILE H 1 59 ILE HG12 . . 3.480 3.337 3.146 3.457 . 0 0 "[ . 1 . 2]" 2
123 1 58 LEU HB2 1 59 ILE H . . 4.170 4.075 4.010 4.179 0.009 11 0 "[ . 1 . 2]" 2
124 1 59 ILE H 1 59 ILE HG13 . . 3.480 2.011 1.891 2.137 . 0 0 "[ . 1 . 2]" 2
125 1 58 LEU MD2 1 59 ILE H . . 4.080 3.730 3.580 3.971 . 0 0 "[ . 1 . 2]" 2
126 1 59 ILE H 1 59 ILE MD . . 3.960 3.464 2.994 3.643 . 0 0 "[ . 1 . 2]" 2
127 1 61 HIS H 1 62 GLN H . . 3.310 2.339 2.224 2.452 . 0 0 "[ . 1 . 2]" 2
128 1 61 HIS H 1 63 ARG H . . 4.730 4.008 3.841 4.128 . 0 0 "[ . 1 . 2]" 2
129 1 61 HIS H 1 61 HIS HD2 . . 5.500 4.635 4.460 4.760 . 0 0 "[ . 1 . 2]" 2
130 1 52 PHE QE 1 61 HIS H . . 5.370 4.988 4.713 5.150 . 0 0 "[ . 1 . 2]" 2
131 1 52 PHE HZ 1 61 HIS H . . 5.500 5.363 5.128 5.518 0.018 4 0 "[ . 1 . 2]" 2
132 1 57 GLY HA3 1 61 HIS H . . 5.500 5.465 5.192 5.512 0.012 2 0 "[ . 1 . 2]" 2
133 1 59 ILE HA 1 61 HIS H . . 4.380 3.915 3.731 4.101 . 0 0 "[ . 1 . 2]" 2
134 1 58 LEU HA 1 61 HIS H . . 3.800 3.467 3.316 3.566 . 0 0 "[ . 1 . 2]" 2
135 1 61 HIS H 1 61 HIS HB3 . . 3.010 2.316 2.256 2.391 . 0 0 "[ . 1 . 2]" 2
136 1 61 HIS H 1 61 HIS HB2 . . 3.120 2.971 2.917 3.082 . 0 0 "[ . 1 . 2]" 2
137 1 61 HIS H 1 62 GLN HB2 . . 4.980 4.322 4.124 4.551 . 0 0 "[ . 1 . 2]" 2
138 1 59 ILE HB 1 61 HIS H . . 5.120 4.621 4.479 4.739 . 0 0 "[ . 1 . 2]" 2
139 1 58 LEU MD1 1 61 HIS H . . 5.000 4.631 4.362 4.767 . 0 0 "[ . 1 . 2]" 2
140 1 31 VAL H 1 32 GLN H . . 3.500 2.892 2.795 3.012 . 0 0 "[ . 1 . 2]" 2
141 1 30 LEU H 1 31 VAL H . . 3.360 2.754 2.561 2.889 . 0 0 "[ . 1 . 2]" 2
142 1 29 ILE H 1 31 VAL H . . 4.520 4.408 4.143 4.535 0.015 18 0 "[ . 1 . 2]" 2
143 1 28 SER HA 1 31 VAL H . . 3.900 3.732 3.455 3.893 . 0 0 "[ . 1 . 2]" 2
144 1 28 SER QB 1 31 VAL H . . 5.310 5.201 5.065 5.325 0.015 13 0 "[ . 1 . 2]" 2
145 1 27 SER HA 1 31 VAL H . . 4.360 3.987 3.742 4.373 0.013 17 0 "[ . 1 . 2]" 2
146 1 31 VAL H 1 34 GLN HG3 . . 5.150 4.307 4.045 4.520 . 0 0 "[ . 1 . 2]" 2
147 1 24 PHE HB2 1 31 VAL H . . 5.500 5.516 5.251 5.651 0.151 7 0 "[ . 1 . 2]" 2
148 1 31 VAL H 1 34 GLN HB2 . . 5.230 5.008 4.741 5.234 0.004 14 0 "[ . 1 . 2]" 2
149 1 30 LEU HB3 1 31 VAL H . . 3.490 2.440 2.289 2.623 . 0 0 "[ . 1 . 2]" 2
150 1 31 VAL H 1 31 VAL HB . . 3.080 2.583 2.459 2.682 . 0 0 "[ . 1 . 2]" 2
151 1 29 ILE HB 1 31 VAL H . . 5.500 5.257 5.095 5.365 . 0 0 "[ . 1 . 2]" 2
152 1 30 LEU HG 1 31 VAL H . . 3.970 3.107 2.688 3.426 . 0 0 "[ . 1 . 2]" 2
153 1 30 LEU HB2 1 31 VAL H . . 3.950 3.849 3.751 3.974 0.024 17 0 "[ . 1 . 2]" 2
154 1 31 VAL H 1 31 VAL MG1 . . 3.870 3.765 3.751 3.771 . 0 0 "[ . 1 . 2]" 2
155 1 31 VAL H 1 31 VAL MG2 . . 3.870 2.129 1.878 2.364 . 0 0 "[ . 1 . 2]" 2
156 1 43 TYR H 1 43 TYR QE . . 4.350 4.190 3.939 4.353 0.003 19 0 "[ . 1 . 2]" 2
157 1 43 TYR H 1 51 ALA HA . . 5.500 5.010 4.521 5.351 . 0 0 "[ . 1 . 2]" 2
158 1 41 LYS HA 1 43 TYR H . . 4.300 3.262 3.036 3.491 . 0 0 "[ . 1 . 2]" 2
159 1 42 PRO HD2 1 43 TYR H . . 3.590 2.701 2.646 2.820 . 0 0 "[ . 1 . 2]" 2
160 1 43 TYR H 1 43 TYR HB2 . . 3.150 2.627 2.552 2.817 . 0 0 "[ . 1 . 2]" 2
161 1 43 TYR H 1 52 PHE HB2 . . 5.350 4.790 4.543 5.139 . 0 0 "[ . 1 . 2]" 2
162 1 42 PRO HB2 1 43 TYR H . . 4.420 3.511 3.250 3.772 . 0 0 "[ . 1 . 2]" 2
163 1 42 PRO HB3 1 43 TYR H . . 4.420 4.244 4.091 4.396 . 0 0 "[ . 1 . 2]" 2
164 1 43 TYR H 1 58 LEU MD2 . . 5.240 4.835 4.712 4.997 . 0 0 "[ . 1 . 2]" 2
165 1 43 TYR H 1 43 TYR QD . . 3.310 2.507 2.278 2.714 . 0 0 "[ . 1 . 2]" 2
166 1 43 TYR H 1 52 PHE QD . . 5.500 5.297 4.959 5.520 0.020 15 0 "[ . 1 . 2]" 2
167 1 15 TYR H 1 23 ALA HA . . 5.370 5.052 4.835 5.221 . 0 0 "[ . 1 . 2]" 2
168 1 13 LYS HA 1 15 TYR H . . 4.390 3.282 3.015 3.520 . 0 0 "[ . 1 . 2]" 2
169 1 14 PRO HB3 1 15 TYR H . . 4.510 4.407 4.274 4.497 . 0 0 "[ . 1 . 2]" 2
170 1 14 PRO HG3 1 15 TYR H . . 4.680 4.386 4.112 4.600 . 0 0 "[ . 1 . 2]" 2
171 1 15 TYR H 1 15 TYR QD . . 3.330 3.059 2.819 3.205 . 0 0 "[ . 1 . 2]" 2
172 1 15 TYR H 1 15 TYR QE . . 5.400 5.296 5.111 5.400 0.000 19 0 "[ . 1 . 2]" 2
173 1 14 PRO HA 1 15 TYR H . . 3.520 3.384 3.305 3.470 . 0 0 "[ . 1 . 2]" 2
174 1 14 PRO QD 1 15 TYR H . . 3.530 2.785 2.645 2.933 . 0 0 "[ . 1 . 2]" 2
175 1 15 TYR H 1 15 TYR HB3 . . 3.610 3.553 3.505 3.622 0.012 11 0 "[ . 1 . 2]" 2
176 1 15 TYR H 1 15 TYR HB2 . . 3.330 2.356 2.268 2.440 . 0 0 "[ . 1 . 2]" 2
177 1 14 PRO HG2 1 15 TYR H . . 4.110 3.042 2.681 3.323 . 0 0 "[ . 1 . 2]" 2
178 1 14 PRO HB2 1 15 TYR H . . 4.130 3.793 3.565 3.952 . 0 0 "[ . 1 . 2]" 2
179 1 32 GLN H 1 34 GLN H . . 4.430 3.931 3.831 4.113 . 0 0 "[ . 1 . 2]" 2
180 1 31 VAL HA 1 32 GLN H . . 3.570 3.552 3.532 3.568 . 0 0 "[ . 1 . 2]" 2
181 1 32 GLN H 1 33 HIS HB3 . . 4.780 4.622 4.513 4.753 . 0 0 "[ . 1 . 2]" 2
182 1 32 GLN H 1 33 HIS HB2 . . 5.500 5.423 5.287 5.528 0.028 16 0 "[ . 1 . 2]" 2
183 1 32 GLN H 1 32 GLN HG2 . . 4.040 3.196 2.218 3.739 . 0 0 "[ . 1 . 2]" 2
184 1 32 GLN H 1 32 GLN HG3 . . 4.040 2.770 2.080 3.867 . 0 0 "[ . 1 . 2]" 2
185 1 32 GLN H 1 32 GLN QB . . 2.980 2.361 2.162 2.509 . 0 0 "[ . 1 . 2]" 2
186 1 30 LEU HG 1 32 GLN H . . 5.500 5.269 4.938 5.510 0.010 9 0 "[ . 1 . 2]" 2
187 1 31 VAL MG1 1 32 GLN H . . 4.030 3.294 3.004 3.508 . 0 0 "[ . 1 . 2]" 2
188 1 31 VAL MG2 1 32 GLN H . . 4.030 3.814 3.693 3.931 . 0 0 "[ . 1 . 2]" 2
189 1 30 LEU H 1 32 GLN H . . 4.750 4.222 4.035 4.473 . 0 0 "[ . 1 . 2]" 2
190 1 32 GLN H 1 33 HIS HA . . 5.340 5.251 5.159 5.312 . 0 0 "[ . 1 . 2]" 2
191 1 30 LEU HA 1 32 GLN H . . 5.050 4.487 4.275 4.730 . 0 0 "[ . 1 . 2]" 2
192 1 63 ARG H 1 65 HIS H . . 4.930 4.354 4.178 4.484 . 0 0 "[ . 1 . 2]" 2
193 1 64 ILE H 1 65 HIS H . . 3.210 2.702 2.489 2.834 . 0 0 "[ . 1 . 2]" 2
194 1 65 HIS H 1 65 HIS HD2 . . 4.160 3.479 3.191 3.660 . 0 0 "[ . 1 . 2]" 2
195 1 63 ARG HA 1 65 HIS H . . 4.560 4.143 3.869 4.326 . 0 0 "[ . 1 . 2]" 2
196 1 62 GLN HA 1 65 HIS H . . 4.070 3.591 3.181 3.710 . 0 0 "[ . 1 . 2]" 2
197 1 65 HIS H 1 65 HIS HB2 . . 3.690 2.763 2.673 2.828 . 0 0 "[ . 1 . 2]" 2
198 1 65 HIS H 1 65 HIS HB3 . . 3.690 3.582 3.551 3.629 . 0 0 "[ . 1 . 2]" 2
199 1 64 ILE HB 1 65 HIS H . . 4.170 3.950 3.851 4.098 . 0 0 "[ . 1 . 2]" 2
200 1 65 HIS H 1 66 THR MG . . 5.000 3.729 3.200 3.961 . 0 0 "[ . 1 . 2]" 2
201 1 64 ILE HG12 1 65 HIS H . . 4.390 2.172 1.901 3.686 . 0 0 "[ . 1 . 2]" 2
202 1 64 ILE HG13 1 65 HIS H . . 4.390 2.519 1.938 2.844 . 0 0 "[ . 1 . 2]" 2
203 1 34 GLN H 1 35 ARG H . . 3.530 2.316 2.170 2.628 . 0 0 "[ . 1 . 2]" 2
204 1 33 HIS H 1 35 ARG H . . 4.750 4.147 3.849 4.511 . 0 0 "[ . 1 . 2]" 2
205 1 34 GLN HG3 1 35 ARG H . . 5.330 4.615 4.423 4.848 . 0 0 "[ . 1 . 2]" 2
206 1 34 GLN HB2 1 35 ARG H . . 4.130 2.900 2.461 3.279 . 0 0 "[ . 1 . 2]" 2
207 1 34 GLN HB3 1 35 ARG H . . 4.340 3.710 3.226 4.075 . 0 0 "[ . 1 . 2]" 2
208 1 35 ARG H 1 35 ARG HB3 . . 4.000 2.988 2.427 3.627 . 0 0 "[ . 1 . 2]" 2
209 1 35 ARG H 1 35 ARG HG2 . . 3.650 2.425 1.902 3.521 . 0 0 "[ . 1 . 2]" 2
210 1 35 ARG H 1 35 ARG HG3 . . 3.650 2.866 1.895 3.562 . 0 0 "[ . 1 . 2]" 2
211 1 34 GLN HA 1 37 HIS H . . 4.740 3.888 3.525 4.541 . 0 0 "[ . 1 . 2]" 2
212 1 37 HIS H 1 38 THR MG . . 5.060 3.856 2.892 4.469 . 0 0 "[ . 1 . 2]" 2
213 1 62 GLN H 1 63 ARG H . . 3.490 2.113 2.015 2.226 . 0 0 "[ . 1 . 2]" 2
214 1 63 ARG H 1 64 ILE H . . 3.470 2.590 2.419 2.702 . 0 0 "[ . 1 . 2]" 2
215 1 63 ARG H 1 63 ARG QD . . 4.410 4.194 3.880 4.422 0.012 12 0 "[ . 1 . 2]" 2
216 1 62 GLN HB2 1 63 ARG H . . 4.150 2.891 2.731 3.186 . 0 0 "[ . 1 . 2]" 2
217 1 62 GLN HB3 1 63 ARG H . . 4.390 3.697 3.455 3.890 . 0 0 "[ . 1 . 2]" 2
218 1 63 ARG H 1 63 ARG HB3 . . 3.100 2.397 2.308 2.560 . 0 0 "[ . 1 . 2]" 2
219 1 63 ARG H 1 63 ARG HG2 . . 3.610 2.499 2.348 2.606 . 0 0 "[ . 1 . 2]" 2
220 1 63 ARG H 1 63 ARG HG3 . . 3.610 3.351 2.943 3.618 0.008 3 0 "[ . 1 . 2]" 2
221 1 60 ASN HA 1 63 ARG H . . 4.530 3.482 3.372 3.599 . 0 0 "[ . 1 . 2]" 2
222 1 37 HIS H 1 38 THR H . . 3.920 2.645 1.870 2.969 . 0 0 "[ . 1 . 2]" 2
223 1 37 HIS H 1 37 HIS HD2 . . 4.280 3.284 2.762 4.120 . 0 0 "[ . 1 . 2]" 2
224 1 37 HIS H 1 38 THR HA . . 5.500 5.148 4.506 5.487 . 0 0 "[ . 1 . 2]" 2
225 1 37 HIS H 1 38 THR HB . . 5.500 5.110 4.590 5.474 . 0 0 "[ . 1 . 2]" 2
226 1 37 HIS H 1 37 HIS HB3 . . 3.750 3.585 3.498 3.783 0.033 14 0 "[ . 1 . 2]" 2
227 1 37 HIS H 1 37 HIS HB2 . . 3.480 2.349 2.189 2.644 . 0 0 "[ . 1 . 2]" 2
228 1 35 ARG H 1 36 VAL MG1 . . 4.450 3.803 3.512 4.200 . 0 0 "[ . 1 . 2]" 2
229 1 36 VAL MG1 1 37 HIS H . . 4.820 3.951 3.644 4.273 . 0 0 "[ . 1 . 2]" 2
230 1 43 TYR QD 1 52 PHE H . . 5.010 4.314 4.101 4.616 . 0 0 "[ . 1 . 2]" 2
231 1 41 LYS HA 1 52 PHE H . . 5.130 3.826 3.170 4.397 . 0 0 "[ . 1 . 2]" 2
232 1 43 TYR H 1 52 PHE H . . 4.310 3.590 3.194 3.911 . 0 0 "[ . 1 . 2]" 2
233 1 52 PHE H 1 52 PHE QD . . 3.250 2.595 2.253 2.730 . 0 0 "[ . 1 . 2]" 2
234 1 52 PHE H 1 52 PHE QE . . 4.740 4.666 4.452 4.744 0.004 1 0 "[ . 1 . 2]" 2
235 1 51 ALA HA 1 52 PHE H . . 2.960 2.255 2.209 2.321 . 0 0 "[ . 1 . 2]" 2
236 1 44 LYS HA 1 52 PHE H . . 4.040 3.641 3.492 3.834 . 0 0 "[ . 1 . 2]" 2
237 1 52 PHE H 1 52 PHE HB3 . . 4.060 3.910 3.872 3.995 . 0 0 "[ . 1 . 2]" 2
238 1 43 TYR HB2 1 52 PHE H . . 3.900 3.141 2.880 3.442 . 0 0 "[ . 1 . 2]" 2
239 1 52 PHE H 1 52 PHE HB2 . . 3.490 2.897 2.810 3.076 . 0 0 "[ . 1 . 2]" 2
240 1 41 LYS HB2 1 52 PHE H . . 4.350 3.699 2.879 4.168 . 0 0 "[ . 1 . 2]" 2
241 1 41 LYS HB3 1 52 PHE H . . 4.350 2.764 2.414 3.851 . 0 0 "[ . 1 . 2]" 2
242 1 51 ALA MB 1 52 PHE H . . 3.280 2.806 2.681 2.938 . 0 0 "[ . 1 . 2]" 2
243 1 52 PHE H 1 58 LEU MD1 . . 4.660 4.300 3.967 4.665 0.005 2 0 "[ . 1 . 2]" 2
244 1 59 ILE H 1 60 ASN H . . 3.450 2.827 2.709 2.946 . 0 0 "[ . 1 . 2]" 2
245 1 60 ASN H 1 61 HIS HA . . 5.320 5.270 5.186 5.299 . 0 0 "[ . 1 . 2]" 2
246 1 56 SER HA 1 60 ASN H . . 4.540 4.484 4.289 4.556 0.016 2 0 "[ . 1 . 2]" 2
247 1 57 GLY HA2 1 60 ASN H . . 4.150 3.709 3.583 3.836 . 0 0 "[ . 1 . 2]" 2
248 1 58 LEU HA 1 60 ASN H . . 5.140 4.648 4.452 4.773 . 0 0 "[ . 1 . 2]" 2
249 1 60 ASN H 1 61 HIS HB3 . . 4.860 4.728 4.600 4.786 . 0 0 "[ . 1 . 2]" 2
250 1 60 ASN H 1 61 HIS HB2 . . 5.500 5.313 5.150 5.442 . 0 0 "[ . 1 . 2]" 2
251 1 60 ASN H 1 60 ASN HB2 . . 3.500 2.488 2.188 2.860 . 0 0 "[ . 1 . 2]" 2
252 1 58 LEU HB3 1 60 ASN H . . 5.500 5.379 5.221 5.505 0.005 11 0 "[ . 1 . 2]" 2
253 1 59 ILE HB 1 60 ASN H . . 3.360 2.371 2.274 2.476 . 0 0 "[ . 1 . 2]" 2
254 1 59 ILE MG 1 60 ASN H . . 3.730 3.292 3.167 3.451 . 0 0 "[ . 1 . 2]" 2
255 1 59 ILE MD 1 60 ASN H . . 4.740 4.340 4.055 4.451 . 0 0 "[ . 1 . 2]" 2
256 1 24 PHE H 1 24 PHE QD . . 3.560 3.052 2.604 3.435 . 0 0 "[ . 1 . 2]" 2
257 1 15 TYR QD 1 24 PHE H . . 5.500 5.200 5.054 5.427 . 0 0 "[ . 1 . 2]" 2
258 1 24 PHE H 1 24 PHE QE . . 5.140 4.867 4.522 5.157 0.017 7 0 "[ . 1 . 2]" 2
259 1 23 ALA HA 1 24 PHE H . . 3.060 2.224 2.159 2.316 . 0 0 "[ . 1 . 2]" 2
260 1 16 GLY HA2 1 24 PHE H . . 3.910 3.278 2.837 3.635 . 0 0 "[ . 1 . 2]" 2
261 1 14 PRO QD 1 24 PHE H . . 5.500 5.331 4.794 5.518 0.018 15 0 "[ . 1 . 2]" 2
262 1 16 GLY HA3 1 24 PHE H . . 5.500 4.736 4.052 5.115 . 0 0 "[ . 1 . 2]" 2
263 1 24 PHE H 1 24 PHE HB3 . . 3.930 3.878 3.820 3.951 0.021 18 0 "[ . 1 . 2]" 2
264 1 15 TYR HB3 1 24 PHE H . . 4.470 3.537 3.366 3.883 . 0 0 "[ . 1 . 2]" 2
265 1 24 PHE H 1 24 PHE HB2 . . 3.570 2.839 2.740 3.031 . 0 0 "[ . 1 . 2]" 2
266 1 13 LYS HB2 1 24 PHE H . . 4.550 4.121 3.364 4.607 0.057 7 0 "[ . 1 . 2]" 2
267 1 13 LYS HB3 1 24 PHE H . . 4.550 2.784 2.180 3.021 . 0 0 "[ . 1 . 2]" 2
268 1 23 ALA MB 1 24 PHE H . . 3.370 2.866 2.579 3.104 . 0 0 "[ . 1 . 2]" 2
269 1 34 GLN H 1 36 VAL H . . 5.170 3.909 3.544 4.256 . 0 0 "[ . 1 . 2]" 2
270 1 35 ARG H 1 36 VAL H . . 3.320 2.563 2.255 2.920 . 0 0 "[ . 1 . 2]" 2
271 1 36 VAL H 1 37 HIS H . . 3.620 2.723 2.419 3.011 . 0 0 "[ . 1 . 2]" 2
272 1 35 ARG QD 1 36 VAL H . . 5.290 4.506 2.538 5.386 0.096 14 0 "[ . 1 . 2]" 2
273 1 36 VAL H 1 37 HIS HB2 . . 5.500 4.619 4.205 5.038 . 0 0 "[ . 1 . 2]" 2
274 1 35 ARG HB3 1 36 VAL H . . 4.940 3.999 3.478 4.299 . 0 0 "[ . 1 . 2]" 2
275 1 36 VAL H 1 36 VAL MG1 . . 3.430 2.191 1.899 2.506 . 0 0 "[ . 1 . 2]" 2
276 1 43 TYR QD 1 54 GLN H . . 4.320 3.818 3.403 4.148 . 0 0 "[ . 1 . 2]" 2
277 1 43 TYR QE 1 54 GLN H . . 5.000 4.755 4.051 5.009 0.009 17 0 "[ . 1 . 2]" 2
278 1 54 GLN H 1 58 LEU H . . 5.040 4.744 4.264 4.932 . 0 0 "[ . 1 . 2]" 2
279 1 52 PHE HA 1 54 GLN H . . 4.330 3.994 3.595 4.219 . 0 0 "[ . 1 . 2]" 2
280 1 52 PHE HB3 1 54 GLN H . . 3.440 2.988 2.608 3.224 . 0 0 "[ . 1 . 2]" 2
281 1 43 TYR HB2 1 54 GLN H . . 5.060 4.794 3.952 5.067 0.007 4 0 "[ . 1 . 2]" 2
282 1 52 PHE HB2 1 54 GLN H . . 3.830 3.593 2.953 3.838 0.008 12 0 "[ . 1 . 2]" 2
283 1 54 GLN H 1 54 GLN QG . . 3.680 3.163 2.703 3.662 . 0 0 "[ . 1 . 2]" 2
284 1 54 GLN H 1 54 GLN HB3 . . 3.930 3.722 3.627 3.790 . 0 0 "[ . 1 . 2]" 2
285 1 54 GLN H 1 54 GLN HB2 . . 3.100 2.589 2.446 2.755 . 0 0 "[ . 1 . 2]" 2
286 1 45 CYS HB2 1 46 LEU H . . 4.940 4.153 3.882 4.407 . 0 0 "[ . 1 . 2]" 2
287 1 45 CYS HB3 1 46 LEU H . . 4.990 3.974 3.442 4.394 . 0 0 "[ . 1 . 2]" 2
288 1 45 CYS HA 1 46 LEU H . . 3.160 2.222 2.140 2.408 . 0 0 "[ . 1 . 2]" 2
289 1 46 LEU H 1 46 LEU HB2 . . 3.950 2.467 2.172 3.505 . 0 0 "[ . 1 . 2]" 2
290 1 46 LEU H 1 46 LEU HG . . 3.690 3.115 2.037 3.730 0.040 8 0 "[ . 1 . 2]" 2
291 1 46 LEU H 1 46 LEU HB3 . . 3.950 3.555 3.295 3.811 . 0 0 "[ . 1 . 2]" 2
292 1 46 LEU H 1 58 LEU MD1 . . 4.200 3.747 3.506 4.109 . 0 0 "[ . 1 . 2]" 2
293 1 46 LEU H 1 46 LEU MD2 . . 4.910 3.953 2.114 4.377 . 0 0 "[ . 1 . 2]" 2
294 1 33 HIS HD2 1 34 GLN H . . 4.270 4.049 3.520 4.271 0.001 15 0 "[ . 1 . 2]" 2
295 1 61 HIS HD2 1 62 GLN H . . 4.780 4.306 3.824 4.483 . 0 0 "[ . 1 . 2]" 2
296 1 34 GLN H 1 37 HIS HD2 . . 5.140 4.709 4.447 5.110 . 0 0 "[ . 1 . 2]" 2
297 1 62 GLN H 1 65 HIS HD2 . . 5.500 5.026 4.732 5.339 . 0 0 "[ . 1 . 2]" 2
298 1 33 HIS HB3 1 34 GLN H . . 3.570 3.388 2.907 3.580 0.010 4 0 "[ . 1 . 2]" 2
299 1 34 GLN H 1 34 GLN HG3 . . 3.030 2.866 2.557 3.050 0.020 9 0 "[ . 1 . 2]" 2
300 1 34 GLN H 1 34 GLN HB2 . . 3.270 2.360 2.256 2.451 . 0 0 "[ . 1 . 2]" 2
301 1 62 GLN H 1 62 GLN HB2 . . 3.490 2.394 2.222 2.472 . 0 0 "[ . 1 . 2]" 2
302 1 32 GLN QB 1 34 GLN H . . 4.700 4.529 4.307 4.738 0.038 17 0 "[ . 1 . 2]" 2
303 1 62 GLN H 1 63 ARG HG2 . . 5.500 3.845 3.699 3.985 . 0 0 "[ . 1 . 2]" 2
304 1 30 LEU HG 1 34 GLN H . . 4.990 4.682 4.284 4.978 . 0 0 "[ . 1 . 2]" 2
305 1 30 LEU MD1 1 34 GLN H . . 4.690 4.199 3.729 4.500 . 0 0 "[ . 1 . 2]" 2
306 1 62 GLN H 1 63 ARG HG3 . . 5.500 5.012 4.669 5.292 . 0 0 "[ . 1 . 2]" 2
307 1 62 GLN H 1 64 ILE H . . 5.120 3.724 3.602 3.896 . 0 0 "[ . 1 . 2]" 2
308 1 62 GLN HA 1 64 ILE H . . 4.240 3.968 3.728 4.201 . 0 0 "[ . 1 . 2]" 2
309 1 63 ARG QD 1 64 ILE H . . 4.890 4.320 4.088 4.690 . 0 0 "[ . 1 . 2]" 2
310 1 63 ARG HG2 1 64 ILE H . . 3.980 2.885 2.378 3.566 . 0 0 "[ . 1 . 2]" 2
311 1 63 ARG HG3 1 64 ILE H . . 3.980 2.480 2.212 2.696 . 0 0 "[ . 1 . 2]" 2
312 1 60 ASN HA 1 62 GLN H . . 5.030 3.766 3.610 3.967 . 0 0 "[ . 1 . 2]" 2
313 1 61 HIS HB3 1 62 GLN H . . 3.560 3.439 3.261 3.562 0.002 4 0 "[ . 1 . 2]" 2
314 1 47 GLU H 1 48 CYS H . . 3.180 2.577 2.101 2.895 . 0 0 "[ . 1 . 2]" 2
315 1 48 CYS H 1 49 GLY HA3 . . 5.060 4.643 4.513 4.792 . 0 0 "[ . 1 . 2]" 2
316 1 48 CYS H 1 49 GLY HA2 . . 4.620 4.158 4.010 4.337 . 0 0 "[ . 1 . 2]" 2
317 1 45 CYS HB3 1 48 CYS H . . 4.070 3.451 3.056 3.851 . 0 0 "[ . 1 . 2]" 2
318 1 47 GLU HG2 1 48 CYS H . . 4.860 4.545 3.927 4.862 0.002 15 0 "[ . 1 . 2]" 2
319 1 47 GLU HB3 1 48 CYS H . . 4.110 2.635 1.998 3.776 . 0 0 "[ . 1 . 2]" 2
320 1 47 GLU HG3 1 48 CYS H . . 4.860 4.327 3.378 4.864 0.004 13 0 "[ . 1 . 2]" 2
321 1 19 GLU H 1 20 CYS H . . 3.370 2.691 1.890 2.874 . 0 0 "[ . 1 . 2]" 2
322 1 18 VAL HA 1 20 CYS H . . 5.030 4.230 3.994 4.550 . 0 0 "[ . 1 . 2]" 2
323 1 19 GLU HG3 1 20 CYS H . . 5.370 4.811 4.409 5.034 . 0 0 "[ . 1 . 2]" 2
324 1 19 GLU QB 1 20 CYS H . . 3.400 2.585 2.450 2.668 . 0 0 "[ . 1 . 2]" 2
325 1 47 GLU H 1 49 GLY H . . 4.050 3.830 3.358 4.060 0.010 12 0 "[ . 1 . 2]" 2
326 1 45 CYS HB3 1 49 GLY H . . 3.660 2.236 2.017 2.632 . 0 0 "[ . 1 . 2]" 2
327 1 45 CYS HB2 1 49 GLY H . . 4.260 3.798 3.498 4.249 . 0 0 "[ . 1 . 2]" 2
328 1 48 CYS HB3 1 49 GLY H . . 5.090 3.763 3.683 3.830 . 0 0 "[ . 1 . 2]" 2
329 1 44 LYS QG 1 49 GLY H . . 5.500 5.082 4.632 5.526 0.026 19 0 "[ . 1 . 2]" 2
330 1 18 VAL MG1 1 20 CYS H . . 4.960 4.411 4.282 4.962 0.002 19 0 "[ . 1 . 2]" 2
331 1 18 VAL HA 1 21 GLY H . . 4.510 4.354 4.054 4.523 0.013 12 0 "[ . 1 . 2]" 2
332 1 17 CYS HB2 1 21 GLY H . . 4.320 4.057 3.704 4.406 0.086 15 0 "[ . 1 . 2]" 2
333 1 20 CYS HB2 1 21 GLY H . . 4.880 3.703 3.563 4.216 . 0 0 "[ . 1 . 2]" 2
334 1 17 CYS HB3 1 21 GLY H . . 4.320 2.449 1.997 2.939 . 0 0 "[ . 1 . 2]" 2
335 1 20 CYS HB3 1 21 GLY H . . 4.880 3.851 3.758 4.032 . 0 0 "[ . 1 . 2]" 2
336 1 19 GLU QB 1 21 GLY H . . 4.690 4.214 4.112 4.328 . 0 0 "[ . 1 . 2]" 2
337 1 18 VAL MG1 1 21 GLY H . . 5.500 5.357 5.223 5.597 0.097 19 0 "[ . 1 . 2]" 2
338 1 21 GLY H 1 30 LEU MD1 . . 5.500 5.284 4.973 5.512 0.012 11 0 "[ . 1 . 2]" 2
339 1 18 VAL H 1 18 VAL MG1 . . 3.730 2.056 1.876 3.511 . 0 0 "[ . 1 . 2]" 2
340 1 37 HIS HB2 1 38 THR H . . 4.810 3.007 2.395 4.195 . 0 0 "[ . 1 . 2]" 2
341 1 38 THR H 1 38 THR MG . . 4.240 2.418 1.959 2.892 . 0 0 "[ . 1 . 2]" 2
342 1 37 HIS HB3 1 38 THR H . . 5.020 3.566 3.096 4.437 . 0 0 "[ . 1 . 2]" 2
343 1 65 HIS H 1 66 THR H . . 3.900 2.727 2.496 2.890 . 0 0 "[ . 1 . 2]" 2
344 1 63 ARG HA 1 66 THR H . . 5.150 3.529 3.255 4.270 . 0 0 "[ . 1 . 2]" 2
345 1 65 HIS HB2 1 66 THR H . . 5.080 2.337 2.016 4.016 . 0 0 "[ . 1 . 2]" 2
346 1 65 HIS HB3 1 66 THR H . . 5.080 3.661 3.372 4.536 . 0 0 "[ . 1 . 2]" 2
347 1 66 THR H 1 66 THR MG . . 4.460 1.986 1.829 2.410 . 0 0 "[ . 1 . 2]" 2
348 1 15 TYR H 1 16 GLY H . . 4.650 4.423 4.191 4.554 . 0 0 "[ . 1 . 2]" 2
349 1 15 TYR QD 1 16 GLY H . . 4.310 3.871 3.515 4.319 0.009 5 0 "[ . 1 . 2]" 2
350 1 16 GLY H 1 23 ALA HA . . 4.740 4.573 4.453 4.715 . 0 0 "[ . 1 . 2]" 2
351 1 15 TYR HA 1 16 GLY H . . 2.900 2.185 2.144 2.264 . 0 0 "[ . 1 . 2]" 2
352 1 15 TYR HB3 1 16 GLY H . . 4.250 3.272 2.911 3.777 . 0 0 "[ . 1 . 2]" 2
353 1 15 TYR HB2 1 16 GLY H . . 4.550 4.333 4.148 4.557 0.007 17 0 "[ . 1 . 2]" 2
354 1 16 GLY H 1 30 LEU MD2 . . 3.990 3.078 2.565 3.795 . 0 0 "[ . 1 . 2]" 2
355 1 55 ASN HD21 1 59 ILE HG12 . . 5.280 3.430 2.816 3.906 . 0 0 "[ . 1 . 2]" 2
356 1 55 ASN HD21 1 59 ILE MD . . 4.130 2.896 1.796 3.513 . 0 0 "[ . 1 . 2]" 2
357 1 55 ASN HD22 1 59 ILE HG12 . . 5.280 2.551 2.155 3.322 . 0 0 "[ . 1 . 2]" 2
358 1 55 ASN HD22 1 59 ILE HG13 . . 5.280 2.346 1.957 3.019 . 0 0 "[ . 1 . 2]" 2
359 1 55 ASN HD22 1 59 ILE MD . . 4.130 2.234 1.882 2.839 . 0 0 "[ . 1 . 2]" 2
360 1 54 GLN H 1 57 GLY H . . 4.750 4.392 4.207 4.672 . 0 0 "[ . 1 . 2]" 2
361 1 52 PHE HB3 1 57 GLY H . . 4.960 4.513 4.288 4.712 . 0 0 "[ . 1 . 2]" 2
362 1 55 ASN HA 1 57 GLY H . . 5.130 3.742 3.561 3.937 . 0 0 "[ . 1 . 2]" 2
363 1 54 GLN QG 1 57 GLY H . . 5.110 4.947 4.459 5.147 0.037 12 0 "[ . 1 . 2]" 2
364 1 54 GLN HB3 1 57 GLY H . . 3.980 3.369 2.497 3.845 . 0 0 "[ . 1 . 2]" 2
365 1 57 GLY H 1 58 LEU HB3 . . 4.860 4.261 4.214 4.307 . 0 0 "[ . 1 . 2]" 2
366 1 54 GLN HB2 1 57 GLY H . . 3.590 3.294 3.076 3.515 . 0 0 "[ . 1 . 2]" 2
367 1 52 PHE HB2 1 57 GLY H . . 4.960 4.803 4.593 4.962 0.002 16 0 "[ . 1 . 2]" 2
368 1 45 CYS H 1 52 PHE H . . 5.500 5.404 5.262 5.512 0.012 18 0 "[ . 1 . 2]" 2
369 1 45 CYS H 1 50 LYS H . . 4.250 2.005 1.832 2.276 . 0 0 "[ . 1 . 2]" 2
370 1 45 CYS H 1 52 PHE QD . . 4.710 4.092 3.904 4.319 . 0 0 "[ . 1 . 2]" 2
371 1 45 CYS H 1 61 HIS HD2 . . 5.500 5.262 4.998 5.479 . 0 0 "[ . 1 . 2]" 2
372 1 45 CYS H 1 52 PHE QE . . 4.550 3.263 3.104 3.485 . 0 0 "[ . 1 . 2]" 2
373 1 45 CYS H 1 51 ALA HA . . 3.910 3.662 3.449 3.811 . 0 0 "[ . 1 . 2]" 2
374 1 44 LYS HA 1 45 CYS H . . 3.090 2.288 2.232 2.361 . 0 0 "[ . 1 . 2]" 2
375 1 45 CYS H 1 49 GLY HA2 . . 5.210 3.627 3.432 4.028 . 0 0 "[ . 1 . 2]" 2
376 1 45 CYS H 1 45 CYS HB3 . . 3.220 2.551 2.436 2.675 . 0 0 "[ . 1 . 2]" 2
377 1 45 CYS H 1 45 CYS HB2 . . 3.290 2.650 2.475 2.851 . 0 0 "[ . 1 . 2]" 2
378 1 44 LYS HB2 1 45 CYS H . . 4.620 4.048 3.819 4.183 . 0 0 "[ . 1 . 2]" 2
379 1 44 LYS QG 1 45 CYS H . . 3.610 2.116 1.862 2.431 . 0 0 "[ . 1 . 2]" 2
380 1 45 CYS H 1 58 LEU MD1 . . 3.790 3.053 2.848 3.303 . 0 0 "[ . 1 . 2]" 2
381 1 16 GLY H 1 17 CYS H . . 4.430 4.420 4.371 4.466 0.036 17 0 "[ . 1 . 2]" 2
382 1 15 TYR H 1 24 PHE H . . 3.890 3.745 3.307 3.905 0.015 9 0 "[ . 1 . 2]" 2
383 1 18 VAL H 1 19 GLU H . . 4.110 2.133 2.018 2.940 . 0 0 "[ . 1 . 2]" 2
384 1 46 LEU H 1 48 CYS H . . 4.730 4.318 3.626 4.752 0.022 17 0 "[ . 1 . 2]" 2
385 1 48 CYS H 1 49 GLY H . . 2.900 2.037 1.919 2.157 . 0 0 "[ . 1 . 2]" 2
386 1 20 CYS H 1 21 GLY H . . 2.970 1.964 1.738 2.048 . 0 0 "[ . 1 . 2]" 2
387 1 17 CYS H 1 21 GLY H . . 5.000 4.117 3.633 4.623 . 0 0 "[ . 1 . 2]" 2
388 1 22 LYS H 1 23 ALA H . . 4.490 4.498 4.201 4.574 0.084 20 0 "[ . 1 . 2]" 2
389 1 17 CYS H 1 23 ALA H . . 5.480 4.555 4.313 4.778 . 0 0 "[ . 1 . 2]" 2
390 1 23 ALA H 1 24 PHE QD . . 5.470 4.955 4.803 5.025 . 0 0 "[ . 1 . 2]" 2
391 1 23 ALA H 1 24 PHE HZ . . 5.500 5.452 5.170 5.535 0.035 16 0 "[ . 1 . 2]" 2
392 1 64 ILE MG 1 65 HIS H . . 3.990 3.587 3.512 3.739 . 0 0 "[ . 1 . 2]" 2
393 1 45 CYS H 1 51 ALA H . . 5.330 4.659 4.492 4.851 . 0 0 "[ . 1 . 2]" 2
394 1 50 LYS H 1 51 ALA H . . 4.580 4.234 4.060 4.417 . 0 0 "[ . 1 . 2]" 2
395 1 51 ALA H 1 52 PHE QD . . 5.370 4.478 4.041 4.751 . 0 0 "[ . 1 . 2]" 2
396 1 51 ALA H 1 52 PHE QE . . 5.330 4.277 3.605 4.617 . 0 0 "[ . 1 . 2]" 2
397 1 57 GLY H 1 58 LEU H . . 3.270 2.404 2.343 2.473 . 0 0 "[ . 1 . 2]" 2
398 1 36 VAL H 1 36 VAL MG2 . . 3.430 2.300 1.900 2.662 . 0 0 "[ . 1 . 2]" 2
399 1 57 GLY H 1 58 LEU MD2 . . 5.500 5.551 5.523 5.572 0.072 9 0 "[ . 1 . 2]" 2
400 1 57 GLY H 1 58 LEU HB2 . . 5.430 5.190 5.068 5.258 . 0 0 "[ . 1 . 2]" 2
401 1 57 GLY H 1 59 ILE HB . . 5.470 5.215 5.072 5.376 . 0 0 "[ . 1 . 2]" 2
402 1 57 GLY H 1 58 LEU HA . . 5.500 5.051 4.998 5.100 . 0 0 "[ . 1 . 2]" 2
403 1 57 GLY H 1 60 ASN H . . 5.200 4.967 4.880 5.144 . 0 0 "[ . 1 . 2]" 2
404 1 64 ILE H 1 64 ILE MG . . 3.250 1.908 1.854 2.108 . 0 0 "[ . 1 . 2]" 2
405 1 46 LEU H 1 47 GLU H . . 3.540 2.194 1.823 2.729 . 0 0 "[ . 1 . 2]" 2
406 1 47 GLU H 1 49 GLY HA2 . . 5.480 5.039 4.720 5.280 . 0 0 "[ . 1 . 2]" 2
407 1 44 LYS H 1 45 CYS H . . 4.590 4.518 4.479 4.558 . 0 0 "[ . 1 . 2]" 2
408 1 44 LYS H 1 52 PHE QD . . 5.500 5.086 4.845 5.307 . 0 0 "[ . 1 . 2]" 2
409 1 13 LYS HA 1 24 PHE H . . 5.500 4.896 3.675 5.282 . 0 0 "[ . 1 . 2]" 2
410 1 33 HIS H 1 34 GLN H . . 3.480 2.389 2.242 2.574 . 0 0 "[ . 1 . 2]" 2
411 1 17 CYS H 1 20 CYS H . . 5.500 5.446 4.936 5.536 0.036 18 0 "[ . 1 . 2]" 2
412 1 45 CYS H 1 49 GLY H . . 5.010 4.489 4.257 4.819 . 0 0 "[ . 1 . 2]" 2
413 1 50 LYS H 1 52 PHE QE . . 5.210 3.792 3.629 4.042 . 0 0 "[ . 1 . 2]" 2
414 1 50 LYS H 1 61 HIS HD2 . . 5.450 5.331 5.077 5.454 0.004 20 0 "[ . 1 . 2]" 2
415 1 50 LYS H 1 52 PHE HZ . . 5.500 5.351 5.049 5.503 0.003 4 0 "[ . 1 . 2]" 2
416 1 52 PHE H 1 53 SER H . . 4.560 4.286 3.885 4.369 . 0 0 "[ . 1 . 2]" 2
417 1 44 LYS H 1 52 PHE H . . 5.390 4.989 4.837 5.171 . 0 0 "[ . 1 . 2]" 2
418 1 52 PHE H 1 54 GLN H . . 5.500 5.236 4.604 5.505 0.005 7 0 "[ . 1 . 2]" 2
419 1 52 PHE H 1 58 LEU HB3 . . 5.500 5.427 5.226 5.511 0.011 10 0 "[ . 1 . 2]" 2
420 1 53 SER H 1 54 GLN H . . 4.750 2.711 2.497 3.087 . 0 0 "[ . 1 . 2]" 2
421 1 55 ASN HD21 1 59 ILE HG13 . . 5.280 2.555 1.921 3.050 . 0 0 "[ . 1 . 2]" 2
422 1 55 ASN HD21 1 59 ILE MG . . 5.500 5.016 4.326 5.410 . 0 0 "[ . 1 . 2]" 2
423 1 55 ASN HD22 1 58 LEU MD2 . . 5.360 3.364 2.826 3.787 . 0 0 "[ . 1 . 2]" 2
424 1 55 ASN HA 1 55 ASN HD22 . . 5.110 3.858 3.565 4.151 . 0 0 "[ . 1 . 2]" 2
425 1 19 GLU H 1 21 GLY H . . 4.160 4.036 2.621 4.235 0.075 14 0 "[ . 1 . 2]" 2
426 1 24 PHE QD 1 30 LEU H . . 4.550 3.898 3.554 4.169 . 0 0 "[ . 1 . 2]" 2
427 1 24 PHE HB2 1 29 ILE H . . 5.500 4.930 4.551 5.470 . 0 0 "[ . 1 . 2]" 2
428 1 36 VAL MG2 1 37 HIS H . . 3.990 2.383 1.848 3.525 . 0 0 "[ . 1 . 2]" 2
429 1 58 LEU MD1 1 62 GLN HE21 . . 4.210 2.678 1.752 3.709 . 0 0 "[ . 1 . 2]" 2
430 1 58 LEU HG 1 62 GLN HE21 . . 5.120 3.199 1.925 4.489 . 0 0 "[ . 1 . 2]" 2
431 1 45 CYS HA 1 62 GLN HE21 . . 4.970 3.121 1.930 4.942 . 0 0 "[ . 1 . 2]" 2
432 1 46 LEU H 1 62 GLN HE21 . . 5.500 3.569 2.043 5.500 . 0 0 "[ . 1 . 2]" 2
433 1 58 LEU MD1 1 62 GLN HE22 . . 4.210 3.158 2.341 3.953 . 0 0 "[ . 1 . 2]" 2
434 1 58 LEU HG 1 62 GLN HE22 . . 5.120 3.627 3.083 4.372 . 0 0 "[ . 1 . 2]" 2
435 1 62 GLN HB2 1 62 GLN HE22 . . 5.500 4.385 3.760 4.726 . 0 0 "[ . 1 . 2]" 2
436 1 62 GLN HB3 1 62 GLN HE22 . . 5.500 4.255 3.786 4.613 . 0 0 "[ . 1 . 2]" 2
437 1 45 CYS HA 1 62 GLN HE22 . . 4.970 3.563 2.945 4.540 . 0 0 "[ . 1 . 2]" 2
438 1 46 LEU H 1 62 GLN HE22 . . 5.500 3.687 2.558 4.771 . 0 0 "[ . 1 . 2]" 2
439 1 30 LEU MD2 1 34 GLN HE22 . . 4.520 3.573 2.319 4.034 . 0 0 "[ . 1 . 2]" 2
440 1 30 LEU MD1 1 34 GLN HE22 . . 4.990 4.071 3.100 4.781 . 0 0 "[ . 1 . 2]" 2
441 1 30 LEU HG 1 34 GLN HE22 . . 5.140 3.732 2.918 4.120 . 0 0 "[ . 1 . 2]" 2
442 1 30 LEU HG 1 34 GLN HE21 . . 5.020 2.931 2.291 4.279 . 0 0 "[ . 1 . 2]" 2
443 1 30 LEU MD2 1 34 GLN HE21 . . 4.240 3.598 2.664 4.250 0.010 19 0 "[ . 1 . 2]" 2
444 1 34 GLN HA 1 34 GLN HE21 . . 5.370 4.896 4.178 5.158 . 0 0 "[ . 1 . 2]" 2
445 1 34 GLN H 1 34 GLN HE21 . . 5.500 4.657 4.291 5.543 0.043 19 0 "[ . 1 . 2]" 2
446 1 40 GLU H 1 40 GLU QB . . 3.610 2.531 2.199 3.272 . 0 0 "[ . 1 . 2]" 2
447 1 40 GLU H 1 40 GLU HG3 . . 4.720 3.706 2.716 4.542 . 0 0 "[ . 1 . 2]" 2
448 1 40 GLU H 1 40 GLU HG2 . . 4.720 3.861 1.946 4.729 0.009 13 0 "[ . 1 . 2]" 2
449 1 26 ARG H 1 29 ILE MD . . 3.680 2.807 2.536 3.364 . 0 0 "[ . 1 . 2]" 2
450 1 26 ARG H 1 29 ILE HG13 . . 5.500 4.508 4.170 5.013 . 0 0 "[ . 1 . 2]" 2
451 1 26 ARG H 1 30 LEU HB2 . . 5.500 5.376 4.748 5.546 0.046 19 0 "[ . 1 . 2]" 2
452 1 26 ARG H 1 26 ARG HB3 . . 4.150 3.712 3.555 3.826 . 0 0 "[ . 1 . 2]" 2
453 1 26 ARG H 1 26 ARG QG . . 3.800 3.054 2.417 3.708 . 0 0 "[ . 1 . 2]" 2
454 1 26 ARG H 1 29 ILE HB . . 3.740 3.423 3.124 3.633 . 0 0 "[ . 1 . 2]" 2
455 1 26 ARG H 1 26 ARG HB2 . . 4.150 2.578 2.402 2.791 . 0 0 "[ . 1 . 2]" 2
456 1 24 PHE HB2 1 26 ARG H . . 3.900 3.391 2.926 3.677 . 0 0 "[ . 1 . 2]" 2
457 1 15 TYR HB3 1 26 ARG H . . 5.500 5.456 5.085 5.559 0.059 7 0 "[ . 1 . 2]" 2
458 1 24 PHE HB3 1 26 ARG H . . 3.680 2.785 2.461 3.094 . 0 0 "[ . 1 . 2]" 2
459 1 14 PRO QD 1 26 ARG H . . 5.260 5.059 4.713 5.266 0.006 1 0 "[ . 1 . 2]" 2
460 1 25 SER HB2 1 26 ARG H . . 4.900 3.926 2.898 4.392 . 0 0 "[ . 1 . 2]" 2
461 1 26 ARG H 1 29 ILE H . . 4.900 4.628 4.412 4.810 . 0 0 "[ . 1 . 2]" 2
462 1 24 PHE H 1 26 ARG H . . 5.310 4.933 4.475 5.259 . 0 0 "[ . 1 . 2]" 2
463 1 41 LYS H 1 42 PRO HD3 . . 5.450 3.127 2.314 3.879 . 0 0 "[ . 1 . 2]" 2
464 1 40 GLU QB 1 41 LYS H . . 4.810 3.054 1.873 4.027 . 0 0 "[ . 1 . 2]" 2
465 1 25 SER H 1 26 ARG H . . 5.420 2.705 2.286 2.891 . 0 0 "[ . 1 . 2]" 2
466 1 52 PHE QD 1 58 LEU H . . 4.370 4.065 3.916 4.255 . 0 0 "[ . 1 . 2]" 2
467 1 44 LYS HB3 1 45 CYS H . . 4.620 3.682 3.474 4.056 . 0 0 "[ . 1 . 2]" 2
468 1 44 LYS QD 1 45 CYS H . . 4.990 3.949 2.056 4.444 . 0 0 "[ . 1 . 2]" 2
469 1 52 PHE QD 1 57 GLY HA3 . . 4.480 3.716 3.491 3.848 . 0 0 "[ . 1 . 2]" 2
470 1 52 PHE HB2 1 57 GLY HA3 . . 4.750 4.570 4.392 4.751 0.001 19 0 "[ . 1 . 2]" 2
471 1 57 GLY HA2 1 60 ASN HB2 . . 4.600 3.883 3.004 4.452 . 0 0 "[ . 1 . 2]" 2
472 1 64 ILE H 1 64 ILE MD . . 4.250 3.799 3.741 3.896 . 0 0 "[ . 1 . 2]" 2
473 1 64 ILE HB 1 64 ILE MD . . 3.340 2.427 2.109 2.525 . 0 0 "[ . 1 . 2]" 2
474 1 68 GLY HA3 1 69 PRO QD . . 3.600 2.421 1.853 3.359 . 0 0 "[ . 1 . 2]" 2
475 1 16 GLY HA3 1 23 ALA HA . . 3.910 3.400 2.693 3.731 . 0 0 "[ . 1 . 2]" 2
476 1 29 ILE H 1 29 ILE MD . . 4.240 3.449 3.186 3.668 . 0 0 "[ . 1 . 2]" 2
477 1 29 ILE HA 1 29 ILE MD . . 4.020 3.851 3.754 3.902 . 0 0 "[ . 1 . 2]" 2
478 1 24 PHE HB3 1 29 ILE MD . . 4.610 2.970 2.533 3.460 . 0 0 "[ . 1 . 2]" 2
479 1 26 ARG HD2 1 29 ILE MD . . 5.050 3.522 1.841 4.709 . 0 0 "[ . 1 . 2]" 2
480 1 26 ARG HD3 1 29 ILE MD . . 5.050 3.658 1.960 4.839 . 0 0 "[ . 1 . 2]" 2
481 1 29 ILE HB 1 29 ILE MD . . 3.570 2.299 2.132 2.461 . 0 0 "[ . 1 . 2]" 2
482 1 26 ARG QG 1 29 ILE MD . . 3.860 2.774 2.009 3.448 . 0 0 "[ . 1 . 2]" 2
483 1 56 SER HA 1 59 ILE MD . . 3.840 2.587 1.946 2.989 . 0 0 "[ . 1 . 2]" 2
484 1 24 PHE HB2 1 29 ILE MG . . 4.190 3.578 3.478 3.816 . 0 0 "[ . 1 . 2]" 2
485 1 43 TYR HB2 1 52 PHE HB3 . . 4.750 4.404 4.057 4.672 . 0 0 "[ . 1 . 2]" 2
486 1 52 PHE HB3 1 57 GLY HA3 . . 4.460 3.603 3.372 3.798 . 0 0 "[ . 1 . 2]" 2
487 1 60 ASN HA 1 63 ARG QD . . 3.990 3.135 2.377 3.629 . 0 0 "[ . 1 . 2]" 2
488 1 43 TYR HB2 1 52 PHE HB2 . . 4.090 2.775 2.473 3.028 . 0 0 "[ . 1 . 2]" 2
489 1 52 PHE HB2 1 58 LEU HB2 . . 4.350 2.335 2.203 2.559 . 0 0 "[ . 1 . 2]" 2
490 1 24 PHE HB2 1 30 LEU MD2 . . 4.920 4.002 3.744 4.261 . 0 0 "[ . 1 . 2]" 2
491 1 52 PHE HB2 1 58 LEU MD1 . . 5.500 3.857 3.628 4.123 . 0 0 "[ . 1 . 2]" 2
492 1 52 PHE HB2 1 58 LEU MD2 . . 5.500 4.091 3.922 4.154 . 0 0 "[ . 1 . 2]" 2
493 1 13 LYS QE 1 13 LYS HG3 . . 3.540 2.537 2.071 3.438 . 0 0 "[ . 1 . 2]" 2
494 1 13 LYS QE 1 13 LYS HG2 . . 3.540 2.607 2.128 3.242 . 0 0 "[ . 1 . 2]" 2
495 1 44 LYS QE 1 49 GLY HA2 . . 4.340 2.952 2.080 3.851 . 0 0 "[ . 1 . 2]" 2
496 1 44 LYS QE 1 44 LYS QG . . 3.410 2.154 2.019 2.327 . 0 0 "[ . 1 . 2]" 2
497 1 44 LYS QE 1 49 GLY HA3 . . 4.850 3.854 3.071 4.821 . 0 0 "[ . 1 . 2]" 2
498 1 55 ASN HA 1 58 LEU HB3 . . 4.200 2.491 2.234 2.743 . 0 0 "[ . 1 . 2]" 2
499 1 43 TYR HB3 1 58 LEU HB3 . . 4.250 3.130 2.815 3.473 . 0 0 "[ . 1 . 2]" 2
500 1 58 LEU HB3 1 58 LEU MD2 . . 3.460 2.018 1.989 2.066 . 0 0 "[ . 1 . 2]" 2
501 1 43 TYR HB3 1 58 LEU HB2 . . 4.210 3.351 2.924 3.722 . 0 0 "[ . 1 . 2]" 2
502 1 58 LEU HB2 1 58 LEU MD1 . . 3.630 2.157 2.032 2.248 . 0 0 "[ . 1 . 2]" 2
503 1 24 PHE HB3 1 30 LEU HB2 . . 4.770 3.896 3.608 4.118 . 0 0 "[ . 1 . 2]" 2
504 1 60 ASN HB2 1 61 HIS H . . 4.360 3.981 3.229 4.335 . 0 0 "[ . 1 . 2]" 2
505 1 60 ASN H 1 60 ASN HB3 . . 3.500 2.681 2.247 3.504 0.004 17 0 "[ . 1 . 2]" 2
506 1 60 ASN HB3 1 61 HIS H . . 4.360 3.158 2.888 3.808 . 0 0 "[ . 1 . 2]" 2
507 1 57 GLY HA2 1 60 ASN HB3 . . 4.600 3.441 3.025 4.612 0.012 17 0 "[ . 1 . 2]" 2
508 1 24 PHE HB3 1 29 ILE HB . . 4.230 2.315 2.048 2.769 . 0 0 "[ . 1 . 2]" 2
509 1 24 PHE HB2 1 29 ILE HB . . 4.520 3.232 2.955 3.845 . 0 0 "[ . 1 . 2]" 2
510 1 43 TYR H 1 43 TYR HB3 . . 3.990 3.636 3.574 3.698 . 0 0 "[ . 1 . 2]" 2
511 1 15 TYR HB3 1 30 LEU HB2 . . 4.380 3.070 2.841 3.276 . 0 0 "[ . 1 . 2]" 2
512 1 43 TYR HB2 1 58 LEU H . . 5.290 4.681 4.496 4.964 . 0 0 "[ . 1 . 2]" 2
513 1 15 TYR HB3 1 27 SER HA . . 4.380 3.558 3.166 4.319 . 0 0 "[ . 1 . 2]" 2
514 1 43 TYR HB2 1 58 LEU HB3 . . 4.960 3.503 3.267 3.762 . 0 0 "[ . 1 . 2]" 2
515 1 15 TYR HB3 1 30 LEU MD2 . . 3.280 2.028 1.960 2.116 . 0 0 "[ . 1 . 2]" 2
516 1 43 TYR HB2 1 55 ASN HA . . 4.230 3.487 2.998 3.879 . 0 0 "[ . 1 . 2]" 2
517 1 43 TYR HB2 1 58 LEU HB2 . . 4.270 3.229 3.000 3.477 . 0 0 "[ . 1 . 2]" 2
518 1 64 ILE H 1 64 ILE HB . . 3.630 3.573 3.550 3.618 . 0 0 "[ . 1 . 2]" 2
519 1 59 ILE HB 1 59 ILE MD . . 3.530 2.375 2.186 2.481 . 0 0 "[ . 1 . 2]" 2
520 1 42 PRO HD2 1 43 TYR QD . . 3.860 3.001 2.759 3.971 0.111 18 0 "[ . 1 . 2]" 2
521 1 15 TYR HA 1 15 TYR QD . . 3.610 3.030 2.977 3.055 . 0 0 "[ . 1 . 2]" 2
522 1 43 TYR HA 1 43 TYR QD . . 3.820 2.792 2.346 2.928 . 0 0 "[ . 1 . 2]" 2
523 1 14 PRO QD 1 15 TYR QD . . 4.140 3.671 3.364 3.835 . 0 0 "[ . 1 . 2]" 2
524 1 14 PRO HB2 1 15 TYR QD . . 4.410 3.246 2.803 3.512 . 0 0 "[ . 1 . 2]" 2
525 1 24 PHE HA 1 24 PHE QD . . 3.710 2.833 2.533 3.162 . 0 0 "[ . 1 . 2]" 2
526 1 24 PHE QD 1 30 LEU HG . . 4.400 4.200 4.003 4.470 0.070 18 0 "[ . 1 . 2]" 2
527 1 24 PHE QD 1 30 LEU HB2 . . 4.170 1.990 1.955 2.037 . 0 0 "[ . 1 . 2]" 2
528 1 24 PHE QD 1 30 LEU MD1 . . 3.450 2.039 1.914 2.529 . 0 0 "[ . 1 . 2]" 2
529 1 24 PHE QD 1 29 ILE MG . . 3.450 2.031 1.758 2.406 . 0 0 "[ . 1 . 2]" 2
530 1 52 PHE HA 1 52 PHE QD . . 4.100 3.170 3.098 3.258 . 0 0 "[ . 1 . 2]" 2
531 1 52 PHE QD 1 58 LEU HB2 . . 4.220 2.248 2.014 2.664 . 0 0 "[ . 1 . 2]" 2
532 1 34 GLN HA 1 34 GLN HG3 . . 4.120 3.227 2.908 3.359 . 0 0 "[ . 1 . 2]" 2
533 1 30 LEU MD1 1 34 GLN HG3 . . 4.170 2.306 2.086 3.015 . 0 0 "[ . 1 . 2]" 2
534 1 18 VAL MG1 1 19 GLU HG3 . . 4.560 3.711 2.556 4.194 . 0 0 "[ . 1 . 2]" 2
535 1 34 GLN H 1 34 GLN HG2 . . 3.840 3.594 3.264 3.867 0.027 8 0 "[ . 1 . 2]" 2
536 1 62 GLN H 1 62 GLN HG2 . . 4.300 3.895 3.416 4.273 . 0 0 "[ . 1 . 2]" 2
537 1 30 LEU MD1 1 34 GLN HG2 . . 3.800 2.648 2.273 3.105 . 0 0 "[ . 1 . 2]" 2
538 1 62 GLN H 1 62 GLN HG3 . . 4.300 3.012 2.765 3.418 . 0 0 "[ . 1 . 2]" 2
539 1 62 GLN HA 1 62 GLN HG3 . . 3.990 3.054 2.621 3.381 . 0 0 "[ . 1 . 2]" 2
540 1 44 LYS H 1 44 LYS HB2 . . 3.920 2.795 2.601 3.090 . 0 0 "[ . 1 . 2]" 2
541 1 24 PHE QE 1 33 HIS HB2 . . 4.270 3.414 2.520 3.948 . 0 0 "[ . 1 . 2]" 2
542 1 22 LYS HG2 1 24 PHE QE . . 5.340 4.367 2.083 5.168 . 0 0 "[ . 1 . 2]" 2
543 1 22 LYS HB2 1 24 PHE QE . . 4.500 3.151 2.487 4.313 . 0 0 "[ . 1 . 2]" 2
544 1 24 PHE QE 1 30 LEU MD1 . . 3.780 2.122 1.805 2.626 . 0 0 "[ . 1 . 2]" 2
545 1 31 VAL HA 1 34 GLN H . . 4.350 3.387 3.283 3.586 . 0 0 "[ . 1 . 2]" 2
546 1 31 VAL HA 1 34 GLN HG3 . . 4.250 2.896 2.510 3.517 . 0 0 "[ . 1 . 2]" 2
547 1 31 VAL HA 1 34 GLN HB2 . . 3.950 2.552 2.456 2.784 . 0 0 "[ . 1 . 2]" 2
548 1 31 VAL HA 1 34 GLN HB3 . . 4.590 4.105 3.994 4.315 . 0 0 "[ . 1 . 2]" 2
549 1 30 LEU HG 1 31 VAL HA . . 4.390 3.210 2.908 3.463 . 0 0 "[ . 1 . 2]" 2
550 1 31 VAL HA 1 31 VAL MG1 . . 3.340 2.410 2.307 2.510 . 0 0 "[ . 1 . 2]" 2
551 1 31 VAL HA 1 31 VAL MG2 . . 3.340 2.321 2.196 2.452 . 0 0 "[ . 1 . 2]" 2
552 1 22 LYS HB3 1 24 PHE QE . . 4.500 2.685 2.183 3.010 . 0 0 "[ . 1 . 2]" 2
553 1 32 GLN HA 1 32 GLN HG2 . . 4.150 2.737 2.267 4.224 0.074 9 0 "[ . 1 . 2]" 2
554 1 50 LYS H 1 50 LYS HB3 . . 3.850 3.297 2.915 3.852 0.002 14 0 "[ . 1 . 2]" 2
555 1 50 LYS HB3 1 51 ALA H . . 4.220 3.546 2.066 4.065 . 0 0 "[ . 1 . 2]" 2
556 1 50 LYS HB3 1 52 PHE QE . . 4.610 2.189 1.996 2.629 . 0 0 "[ . 1 . 2]" 2
557 1 13 LYS HB3 1 23 ALA MB . . 4.320 2.473 1.974 2.857 . 0 0 "[ . 1 . 2]" 2
558 1 52 PHE HZ 1 61 HIS HB2 . . 4.050 3.331 3.115 3.530 . 0 0 "[ . 1 . 2]" 2
559 1 50 LYS QD 1 52 PHE HZ . . 4.270 3.555 2.090 4.272 0.002 5 0 "[ . 1 . 2]" 2
560 1 50 LYS HB3 1 52 PHE HZ . . 4.730 2.412 2.050 2.807 . 0 0 "[ . 1 . 2]" 2
561 1 22 LYS HB2 1 24 PHE HZ . . 4.490 3.302 2.672 4.172 . 0 0 "[ . 1 . 2]" 2
562 1 22 LYS HB3 1 24 PHE HZ . . 4.490 2.420 1.996 3.155 . 0 0 "[ . 1 . 2]" 2
563 1 19 GLU QB 1 20 CYS HB3 . . 5.280 3.578 3.472 3.644 . 0 0 "[ . 1 . 2]" 2
564 1 18 VAL HA 1 18 VAL MG2 . . 3.210 2.305 2.111 2.395 . 0 0 "[ . 1 . 2]" 2
565 1 59 ILE HA 1 62 GLN HB2 . . 3.990 2.597 2.387 2.951 . 0 0 "[ . 1 . 2]" 2
566 1 59 ILE HA 1 59 ILE HG12 . . 3.710 2.590 2.462 2.889 . 0 0 "[ . 1 . 2]" 2
567 1 59 ILE HA 1 59 ILE HG13 . . 3.710 2.970 2.738 3.078 . 0 0 "[ . 1 . 2]" 2
568 1 59 ILE HA 1 59 ILE MD . . 3.870 3.851 3.794 3.908 0.038 2 0 "[ . 1 . 2]" 2
569 1 53 SER QB 1 54 GLN H . . 4.030 3.084 2.482 3.641 . 0 0 "[ . 1 . 2]" 2
570 1 53 SER QB 1 54 GLN QG . . 3.960 3.333 2.697 3.962 0.002 18 0 "[ . 1 . 2]" 2
571 1 31 VAL HB 1 32 GLN H . . 3.920 2.490 2.278 2.649 . 0 0 "[ . 1 . 2]" 2
572 1 34 GLN HG2 1 37 HIS HD2 . . 4.240 3.777 3.451 4.196 . 0 0 "[ . 1 . 2]" 2
573 1 19 GLU QB 1 37 HIS HD2 . . 4.130 3.041 2.429 3.334 . 0 0 "[ . 1 . 2]" 2
574 1 29 ILE HA 1 32 GLN H . . 4.150 3.804 3.664 3.969 . 0 0 "[ . 1 . 2]" 2
575 1 29 ILE HA 1 32 GLN QB . . 3.500 3.040 2.770 3.489 . 0 0 "[ . 1 . 2]" 2
576 1 29 ILE HA 1 29 ILE HG12 . . 3.750 2.619 2.459 2.763 . 0 0 "[ . 1 . 2]" 2
577 1 29 ILE HA 1 29 ILE HG13 . . 3.750 2.914 2.600 3.207 . 0 0 "[ . 1 . 2]" 2
578 1 29 ILE HA 1 29 ILE MG . . 3.220 2.368 2.268 2.505 . 0 0 "[ . 1 . 2]" 2
579 1 24 PHE QE 1 33 HIS HD2 . . 3.790 2.531 2.135 3.647 . 0 0 "[ . 1 . 2]" 2
580 1 33 HIS HD2 1 34 GLN HA . . 3.830 3.507 3.073 3.837 0.007 16 0 "[ . 1 . 2]" 2
581 1 61 HIS HD2 1 62 GLN HA . . 4.280 3.676 3.331 3.973 . 0 0 "[ . 1 . 2]" 2
582 1 33 HIS HD2 1 34 GLN HG2 . . 4.000 3.099 2.738 3.706 . 0 0 "[ . 1 . 2]" 2
583 1 45 CYS HB2 1 61 HIS HD2 . . 3.830 2.670 2.465 2.956 . 0 0 "[ . 1 . 2]" 2
584 1 30 LEU MD1 1 33 HIS HD2 . . 3.460 2.591 2.144 3.335 . 0 0 "[ . 1 . 2]" 2
585 1 36 VAL H 1 36 VAL HB . . 3.730 3.622 3.592 3.704 . 0 0 "[ . 1 . 2]" 2
586 1 36 VAL HB 1 37 HIS H . . 4.510 4.075 3.713 4.531 0.021 14 0 "[ . 1 . 2]" 2
587 1 38 THR HA 1 38 THR MG . . 3.370 3.022 2.313 3.207 . 0 0 "[ . 1 . 2]" 2
588 1 64 ILE HA 1 64 ILE HG12 . . 4.150 3.781 3.733 4.227 0.077 10 0 "[ . 1 . 2]" 2
589 1 64 ILE HA 1 64 ILE HG13 . . 4.150 3.590 3.565 3.610 . 0 0 "[ . 1 . 2]" 2
590 1 35 ARG H 1 35 ARG HB2 . . 4.000 3.228 2.422 3.620 . 0 0 "[ . 1 . 2]" 2
591 1 63 ARG H 1 63 ARG HB2 . . 3.870 3.578 3.553 3.621 . 0 0 "[ . 1 . 2]" 2
592 1 66 THR HA 1 66 THR MG . . 3.660 2.828 2.337 3.204 . 0 0 "[ . 1 . 2]" 2
593 1 45 CYS HB3 1 52 PHE QE . . 4.820 3.489 3.017 3.834 . 0 0 "[ . 1 . 2]" 2
594 1 45 CYS HB2 1 52 PHE QE . . 3.900 2.233 2.073 2.557 . 0 0 "[ . 1 . 2]" 2
595 1 45 CYS HB3 1 61 HIS HD2 . . 4.840 3.802 3.348 4.069 . 0 0 "[ . 1 . 2]" 2
596 1 17 CYS HB2 1 22 LYS HB3 . . 5.500 4.112 2.966 5.124 . 0 0 "[ . 1 . 2]" 2
597 1 45 CYS HB3 1 58 LEU MD1 . . 3.810 3.623 3.256 3.822 0.012 15 0 "[ . 1 . 2]" 2
598 1 13 LYS HD3 1 23 ALA MB . . 4.460 2.985 1.972 4.021 . 0 0 "[ . 1 . 2]" 2
599 1 47 GLU HB2 1 48 CYS H . . 4.110 3.200 2.352 3.721 . 0 0 "[ . 1 . 2]" 2
600 1 47 GLU H 1 47 GLU HB3 . . 3.770 3.027 2.539 3.711 . 0 0 "[ . 1 . 2]" 2
601 1 22 LYS QD 1 24 PHE HZ . . 4.150 3.099 2.348 4.200 0.050 18 0 "[ . 1 . 2]" 2
602 1 22 LYS QD 1 33 HIS HE1 . . 4.050 3.570 2.418 4.075 0.025 18 0 "[ . 1 . 2]" 2
603 1 22 LYS H 1 22 LYS QD . . 4.470 4.305 3.400 4.529 0.059 19 0 "[ . 1 . 2]" 2
604 1 22 LYS QD 1 24 PHE QE . . 4.490 3.439 2.957 4.435 . 0 0 "[ . 1 . 2]" 2
605 1 8 ILE HA 1 8 ILE MG . . 3.710 2.534 2.254 3.200 . 0 0 "[ . 1 . 2]" 2
606 1 52 PHE HZ 1 61 HIS HB3 . . 4.510 3.059 2.816 3.254 . 0 0 "[ . 1 . 2]" 2
607 1 61 HIS HB2 1 62 GLN H . . 4.610 4.399 4.318 4.467 . 0 0 "[ . 1 . 2]" 2
608 1 28 SER HA 1 31 VAL HB . . 3.690 3.005 2.794 3.167 . 0 0 "[ . 1 . 2]" 2
609 1 28 SER HA 1 31 VAL MG2 . . 4.390 3.009 2.678 3.472 . 0 0 "[ . 1 . 2]" 2
610 1 56 SER HA 1 59 ILE HB . . 3.520 3.341 3.234 3.407 . 0 0 "[ . 1 . 2]" 2
611 1 56 SER HA 1 59 ILE HG13 . . 5.080 3.691 3.529 3.816 . 0 0 "[ . 1 . 2]" 2
612 1 56 SER HA 1 59 ILE MG . . 4.520 4.493 4.424 4.537 0.017 2 0 "[ . 1 . 2]" 2
613 1 29 ILE HG13 1 29 ILE MG . . 3.700 3.177 3.144 3.194 . 0 0 "[ . 1 . 2]" 2
614 1 34 GLN H 1 34 GLN HB3 . . 3.970 3.597 3.539 3.636 . 0 0 "[ . 1 . 2]" 2
615 1 33 HIS HB2 1 34 GLN H . . 4.490 4.395 4.147 4.485 . 0 0 "[ . 1 . 2]" 2
616 1 30 LEU HA 1 33 HIS HB2 . . 4.110 3.973 3.686 4.118 0.008 15 0 "[ . 1 . 2]" 2
617 1 15 TYR QD 1 30 LEU HG . . 5.210 4.333 4.154 4.572 . 0 0 "[ . 1 . 2]" 2
618 1 30 LEU HG 1 34 GLN HG3 . . 4.510 2.453 2.026 2.810 . 0 0 "[ . 1 . 2]" 2
619 1 35 ARG HA 1 35 ARG HG2 . . 4.100 3.396 2.399 4.177 0.077 9 0 "[ . 1 . 2]" 2
620 1 45 CYS HB2 1 58 LEU HG . . 5.500 4.807 4.183 5.155 . 0 0 "[ . 1 . 2]" 2
621 1 34 GLN HA 1 37 HIS HB2 . . 4.360 3.694 3.445 3.892 . 0 0 "[ . 1 . 2]" 2
622 1 34 GLN HA 1 37 HIS HD2 . . 3.500 2.104 1.984 2.448 . 0 0 "[ . 1 . 2]" 2
623 1 62 GLN HA 1 65 HIS HD2 . . 3.730 2.118 1.997 2.417 . 0 0 "[ . 1 . 2]" 2
624 1 34 GLN HA 1 34 GLN HG2 . . 3.430 2.321 2.212 2.588 . 0 0 "[ . 1 . 2]" 2
625 1 62 GLN HA 1 62 GLN HG2 . . 3.990 2.420 2.164 2.712 . 0 0 "[ . 1 . 2]" 2
626 1 33 HIS HA 1 36 VAL MG2 . . 4.370 2.723 2.150 3.519 . 0 0 "[ . 1 . 2]" 2
627 1 32 GLN HA 1 35 ARG QD . . 4.060 2.931 2.076 3.940 . 0 0 "[ . 1 . 2]" 2
628 1 32 GLN HA 1 32 GLN HG3 . . 4.150 3.258 2.810 3.766 . 0 0 "[ . 1 . 2]" 2
629 1 14 PRO HG2 1 15 TYR QD . . 3.790 2.143 2.039 2.225 . 0 0 "[ . 1 . 2]" 2
630 1 14 PRO HG2 1 15 TYR QE . . 4.190 3.672 3.252 3.829 . 0 0 "[ . 1 . 2]" 2
631 1 42 PRO HG3 1 43 TYR QE . . 4.520 3.881 3.274 4.214 . 0 0 "[ . 1 . 2]" 2
632 1 14 PRO HG2 1 15 TYR HA . . 5.020 4.637 4.495 4.741 . 0 0 "[ . 1 . 2]" 2
633 1 14 PRO HG2 1 25 SER HA . . 5.210 4.152 3.526 4.442 . 0 0 "[ . 1 . 2]" 2
634 1 18 VAL MG2 1 19 GLU HA . . 4.690 3.691 3.506 4.416 . 0 0 "[ . 1 . 2]" 2
635 1 47 GLU HA 1 47 GLU HG2 . . 4.160 3.458 2.268 3.775 . 0 0 "[ . 1 . 2]" 2
636 1 47 GLU HA 1 47 GLU HG3 . . 4.160 2.854 2.210 3.844 . 0 0 "[ . 1 . 2]" 2
637 1 35 ARG HA 1 38 THR H . . 4.610 3.739 3.351 4.624 0.014 14 0 "[ . 1 . 2]" 2
638 1 35 ARG HA 1 38 THR HB . . 5.230 4.392 3.445 5.241 0.011 4 0 "[ . 1 . 2]" 2
639 1 63 ARG HA 1 66 THR HB . . 5.500 4.560 4.271 4.914 . 0 0 "[ . 1 . 2]" 2
640 1 35 ARG HA 1 35 ARG QD . . 4.860 4.107 2.038 4.522 . 0 0 "[ . 1 . 2]" 2
641 1 35 ARG HA 1 35 ARG HG3 . . 4.100 3.617 3.114 3.864 . 0 0 "[ . 1 . 2]" 2
642 1 24 PHE QE 1 30 LEU MD2 . . 5.100 4.576 3.770 5.103 0.003 4 0 "[ . 1 . 2]" 2
643 1 58 LEU H 1 58 LEU MD2 . . 5.270 3.938 3.898 3.977 . 0 0 "[ . 1 . 2]" 2
644 1 24 PHE QD 1 30 LEU MD2 . . 4.880 3.398 2.998 3.809 . 0 0 "[ . 1 . 2]" 2
645 1 55 ASN HD21 1 58 LEU MD2 . . 5.360 2.755 2.014 4.437 . 0 0 "[ . 1 . 2]" 2
646 1 15 TYR QD 1 30 LEU MD2 . . 3.430 1.901 1.780 2.278 . 0 0 "[ . 1 . 2]" 2
647 1 15 TYR HA 1 30 LEU MD2 . . 4.260 3.608 3.388 3.888 . 0 0 "[ . 1 . 2]" 2
648 1 16 GLY HA2 1 30 LEU MD2 . . 4.910 3.827 3.261 4.404 . 0 0 "[ . 1 . 2]" 2
649 1 43 TYR HA 1 58 LEU MD2 . . 4.580 3.246 2.988 3.521 . 0 0 "[ . 1 . 2]" 2
650 1 55 ASN HA 1 58 LEU MD2 . . 4.030 2.907 2.650 3.081 . 0 0 "[ . 1 . 2]" 2
651 1 27 SER HA 1 30 LEU MD2 . . 4.120 3.326 2.970 3.540 . 0 0 "[ . 1 . 2]" 2
652 1 58 LEU HA 1 58 LEU MD2 . . 4.660 4.045 4.030 4.055 . 0 0 "[ . 1 . 2]" 2
653 1 43 TYR HB3 1 58 LEU MD2 . . 3.620 1.902 1.780 2.102 . 0 0 "[ . 1 . 2]" 2
654 1 15 TYR HB2 1 30 LEU MD2 . . 3.670 3.614 3.524 3.692 0.022 8 0 "[ . 1 . 2]" 2
655 1 30 LEU HB3 1 30 LEU MD2 . . 3.330 2.329 2.197 2.405 . 0 0 "[ . 1 . 2]" 2
656 1 24 PHE QD 1 30 LEU HA . . 4.030 2.521 2.119 3.033 . 0 0 "[ . 1 . 2]" 2
657 1 30 LEU HA 1 33 HIS HB3 . . 3.640 2.501 2.335 2.730 . 0 0 "[ . 1 . 2]" 2
658 1 24 PHE HB2 1 30 LEU HA . . 4.340 3.569 3.434 3.682 . 0 0 "[ . 1 . 2]" 2
659 1 30 LEU HA 1 30 LEU HG . . 4.000 3.305 3.174 3.437 . 0 0 "[ . 1 . 2]" 2
660 1 30 LEU HA 1 30 LEU MD1 . . 3.330 2.192 1.968 2.579 . 0 0 "[ . 1 . 2]" 2
661 1 22 LYS HA 1 22 LYS QD . . 3.840 2.651 2.235 3.623 . 0 0 "[ . 1 . 2]" 2
662 1 52 PHE QD 1 58 LEU HA . . 4.050 3.211 3.078 3.367 . 0 0 "[ . 1 . 2]" 2
663 1 58 LEU HA 1 61 HIS HB3 . . 3.730 2.519 2.342 2.685 . 0 0 "[ . 1 . 2]" 2
664 1 58 LEU HA 1 61 HIS HB2 . . 3.930 3.815 3.632 3.929 . 0 0 "[ . 1 . 2]" 2
665 1 58 LEU HA 1 58 LEU HG . . 4.170 3.246 3.175 3.341 . 0 0 "[ . 1 . 2]" 2
666 1 58 LEU HA 1 58 LEU MD1 . . 3.270 2.629 2.486 2.782 . 0 0 "[ . 1 . 2]" 2
667 1 46 LEU HA 1 46 LEU MD1 . . 4.220 3.810 3.148 4.118 . 0 0 "[ . 1 . 2]" 2
668 1 46 LEU HA 1 49 GLY H . . 5.090 4.804 4.508 4.988 . 0 0 "[ . 1 . 2]" 2
669 1 13 LYS HA 1 13 LYS HG2 . . 4.240 3.127 2.489 3.563 . 0 0 "[ . 1 . 2]" 2
670 1 41 LYS HG3 1 53 SER HA . . 5.500 3.434 2.350 4.971 . 0 0 "[ . 1 . 2]" 2
671 1 41 LYS HA 1 41 LYS HG3 . . 4.150 2.952 2.603 3.618 . 0 0 "[ . 1 . 2]" 2
672 1 46 LEU HA 1 46 LEU HG . . 3.920 2.810 2.242 3.712 . 0 0 "[ . 1 . 2]" 2
673 1 60 ASN HA 1 63 ARG HB3 . . 4.570 3.507 3.197 3.705 . 0 0 "[ . 1 . 2]" 2
674 1 43 TYR QD 1 55 ASN HA . . 4.140 3.407 2.333 3.837 . 0 0 "[ . 1 . 2]" 2
675 1 55 ASN HA 1 58 LEU H . . 4.100 3.095 2.955 3.344 . 0 0 "[ . 1 . 2]" 2
676 1 43 TYR HB3 1 55 ASN HA . . 4.140 3.234 2.899 3.696 . 0 0 "[ . 1 . 2]" 2
677 1 55 ASN HA 1 58 LEU HB2 . . 4.220 3.879 3.570 4.213 . 0 0 "[ . 1 . 2]" 2
678 1 50 LYS HA 1 51 ALA MB . . 4.260 3.871 3.746 3.973 . 0 0 "[ . 1 . 2]" 2
679 1 41 LYS QE 1 51 ALA MB . . 4.190 2.510 1.882 2.902 . 0 0 "[ . 1 . 2]" 2
680 1 24 PHE H 1 30 LEU MD1 . . 4.920 4.177 3.606 4.809 . 0 0 "[ . 1 . 2]" 2
681 1 30 LEU MD1 1 34 GLN HE21 . . 4.490 3.585 2.173 4.194 . 0 0 "[ . 1 . 2]" 2
682 1 15 TYR QD 1 30 LEU MD1 . . 5.030 4.319 4.065 4.820 . 0 0 "[ . 1 . 2]" 2
683 1 30 LEU H 1 30 LEU MD1 . . 5.500 4.187 4.071 4.315 . 0 0 "[ . 1 . 2]" 2
684 1 17 CYS HA 1 30 LEU MD1 . . 3.640 2.306 1.816 2.801 . 0 0 "[ . 1 . 2]" 2
685 1 30 LEU MD1 1 33 HIS HB3 . . 4.260 3.259 2.780 3.613 . 0 0 "[ . 1 . 2]" 2
686 1 24 PHE HB2 1 30 LEU MD1 . . 4.240 3.840 3.613 4.202 . 0 0 "[ . 1 . 2]" 2
687 1 44 LYS H 1 58 LEU MD1 . . 4.550 3.979 3.607 4.400 . 0 0 "[ . 1 . 2]" 2
688 1 58 LEU MD1 1 62 GLN H . . 5.100 4.635 4.240 4.943 . 0 0 "[ . 1 . 2]" 2
689 1 52 PHE QD 1 58 LEU MD1 . . 3.560 2.290 1.974 2.793 . 0 0 "[ . 1 . 2]" 2
690 1 58 LEU MD1 1 61 HIS HD2 . . 3.530 2.987 2.531 3.270 . 0 0 "[ . 1 . 2]" 2
691 1 52 PHE QE 1 58 LEU MD1 . . 3.850 2.228 1.990 2.697 . 0 0 "[ . 1 . 2]" 2
692 1 45 CYS HA 1 58 LEU MD1 . . 3.420 2.025 1.906 2.261 . 0 0 "[ . 1 . 2]" 2
693 1 58 LEU MD1 1 61 HIS HB3 . . 4.270 3.510 3.304 3.686 . 0 0 "[ . 1 . 2]" 2
694 1 45 CYS HB2 1 58 LEU MD1 . . 3.270 2.332 1.910 2.534 . 0 0 "[ . 1 . 2]" 2
695 1 46 LEU HA 1 46 LEU MD2 . . 4.220 2.508 1.990 3.539 . 0 0 "[ . 1 . 2]" 2
696 1 28 SER HA 1 31 VAL MG1 . . 4.390 4.280 4.031 4.402 0.012 15 0 "[ . 1 . 2]" 2
697 1 42 PRO HD2 1 43 TYR QE . . 4.370 3.591 3.333 3.953 . 0 0 "[ . 1 . 2]" 2
698 1 42 PRO HG2 1 43 TYR QE . . 4.520 2.979 2.289 3.343 . 0 0 "[ . 1 . 2]" 2
699 1 14 PRO HB2 1 15 TYR QE . . 4.410 4.125 3.630 4.334 . 0 0 "[ . 1 . 2]" 2
700 1 15 TYR QE 1 30 LEU MD2 . . 4.540 3.468 3.205 4.107 . 0 0 "[ . 1 . 2]" 2
701 1 16 GLY HA2 1 23 ALA MB . . 3.730 3.116 2.535 3.569 . 0 0 "[ . 1 . 2]" 2
702 1 22 LYS HA 1 23 ALA MB . . 4.290 3.942 3.872 4.016 . 0 0 "[ . 1 . 2]" 2
703 1 16 GLY HA3 1 23 ALA MB . . 3.960 3.627 3.330 3.996 0.036 11 0 "[ . 1 . 2]" 2
704 1 13 LYS HA 1 25 SER HA . . 3.700 2.139 1.976 2.726 . 0 0 "[ . 1 . 2]" 2
705 1 13 LYS HA 1 14 PRO QD . . 3.250 1.889 1.852 2.263 . 0 0 "[ . 1 . 2]" 2
706 1 13 LYS HA 1 13 LYS HG3 . . 4.240 2.644 2.184 3.481 . 0 0 "[ . 1 . 2]" 2
707 1 35 ARG HA 1 38 THR MG . . 4.470 3.177 2.009 4.272 . 0 0 "[ . 1 . 2]" 2
708 1 63 ARG HA 1 66 THR MG . . 4.610 2.127 1.889 2.496 . 0 0 "[ . 1 . 2]" 2
709 1 18 VAL HA 1 18 VAL MG1 . . 3.640 3.190 3.151 3.203 . 0 0 "[ . 1 . 2]" 2
710 1 33 HIS H 1 36 VAL MG1 . . 4.660 4.549 4.323 4.673 0.013 14 0 "[ . 1 . 2]" 2
711 1 33 HIS HA 1 36 VAL MG1 . . 4.380 2.428 2.134 2.817 . 0 0 "[ . 1 . 2]" 2
712 1 36 VAL HA 1 36 VAL MG1 . . 3.320 2.347 2.203 2.512 . 0 0 "[ . 1 . 2]" 2
713 1 33 HIS HE1 1 36 VAL MG2 . . 4.540 4.104 3.098 4.470 . 0 0 "[ . 1 . 2]" 2
714 1 36 VAL HA 1 36 VAL MG2 . . 3.570 3.189 3.159 3.202 . 0 0 "[ . 1 . 2]" 2
715 1 26 ARG H 1 29 ILE MG . . 4.950 4.333 4.001 4.648 . 0 0 "[ . 1 . 2]" 2
716 1 24 PHE QE 1 29 ILE MG . . 4.210 3.097 2.901 3.237 . 0 0 "[ . 1 . 2]" 2
717 1 24 PHE HB3 1 29 ILE MG . . 3.930 2.458 2.310 2.747 . 0 0 "[ . 1 . 2]" 2
718 1 29 ILE MG 1 33 HIS HB2 . . 4.730 3.816 3.611 4.116 . 0 0 "[ . 1 . 2]" 2
719 1 29 ILE MG 1 32 GLN QB . . 4.400 3.897 3.532 4.472 0.072 17 0 "[ . 1 . 2]" 2
720 1 29 ILE HG12 1 29 ILE MG . . 3.700 2.262 2.077 2.474 . 0 0 "[ . 1 . 2]" 2
721 1 51 ALA HA 1 52 PHE QD . . 4.050 2.874 2.581 3.047 . 0 0 "[ . 1 . 2]" 2
722 1 42 PRO HD2 1 53 SER HA . . 3.650 2.926 2.015 3.207 . 0 0 "[ . 1 . 2]" 2
723 1 41 LYS HA 1 42 PRO HD2 . . 3.390 2.144 1.945 2.335 . 0 0 "[ . 1 . 2]" 2
724 1 42 PRO HD3 1 43 TYR H . . 4.320 3.869 3.836 3.934 . 0 0 "[ . 1 . 2]" 2
725 1 42 PRO HD3 1 43 TYR QD . . 5.000 4.650 4.457 5.097 0.097 18 0 "[ . 1 . 2]" 2
726 1 42 PRO HD3 1 53 SER HA . . 4.220 4.042 3.052 4.271 0.051 18 0 "[ . 1 . 2]" 2
727 1 41 LYS HA 1 42 PRO HD3 . . 3.380 2.996 2.664 3.226 . 0 0 "[ . 1 . 2]" 2
728 1 14 PRO QD 1 25 SER HA . . 3.850 2.249 1.990 2.471 . 0 0 "[ . 1 . 2]" 2
729 1 68 GLY HA2 1 69 PRO QD . . 3.600 2.420 1.877 3.355 . 0 0 "[ . 1 . 2]" 2
730 1 59 ILE H 1 59 ILE MG . . 3.860 3.763 3.760 3.765 . 0 0 "[ . 1 . 2]" 2
731 1 59 ILE MG 1 60 ASN HA . . 4.290 3.407 3.226 3.622 . 0 0 "[ . 1 . 2]" 2
732 1 59 ILE HA 1 59 ILE MG . . 3.300 2.422 2.316 2.475 . 0 0 "[ . 1 . 2]" 2
733 1 59 ILE HG12 1 59 ILE MG . . 3.530 2.267 2.134 2.365 . 0 0 "[ . 1 . 2]" 2
734 1 59 ILE HG13 1 59 ILE MG . . 3.530 3.189 3.125 3.202 . 0 0 "[ . 1 . 2]" 2
735 1 64 ILE HA 1 64 ILE MG . . 3.250 2.513 2.466 2.556 . 0 0 "[ . 1 . 2]" 2
736 1 59 ILE HA 1 62 GLN HB3 . . 4.530 4.211 3.958 4.524 . 0 0 "[ . 1 . 2]" 2
737 1 18 VAL MG1 1 19 GLU HG2 . . 4.560 2.788 2.085 4.229 . 0 0 "[ . 1 . 2]" 2
738 1 29 ILE MG 1 30 LEU HA . . 4.550 3.567 3.285 3.745 . 0 0 "[ . 1 . 2]" 2
739 1 24 PHE QE 1 30 LEU HA . . 4.620 2.924 2.680 3.137 . 0 0 "[ . 1 . 2]" 2
740 1 30 LEU HA 1 34 GLN H . . 4.710 4.575 4.194 4.725 0.015 16 0 "[ . 1 . 2]" 2
741 1 13 LYS HB2 1 14 PRO QD . . 4.830 4.328 4.252 4.372 . 0 0 "[ . 1 . 2]" 2
742 1 13 LYS HB3 1 14 PRO QD . . 4.830 3.666 3.400 4.275 . 0 0 "[ . 1 . 2]" 2
743 1 15 TYR HB2 1 30 LEU HB2 . . 4.540 4.178 3.895 4.437 . 0 0 "[ . 1 . 2]" 2
744 1 15 TYR HB2 1 30 LEU HB3 . . 4.870 4.739 4.471 4.887 0.017 5 0 "[ . 1 . 2]" 2
745 1 15 TYR HB2 1 27 SER HA . . 4.580 3.892 3.564 4.585 0.005 13 0 "[ . 1 . 2]" 2
746 1 14 PRO QD 1 15 TYR HB2 . . 5.020 4.002 3.965 4.068 . 0 0 "[ . 1 . 2]" 2
747 1 18 VAL MG2 1 19 GLU H . . 4.490 3.709 3.567 4.298 . 0 0 "[ . 1 . 2]" 2
748 1 18 VAL H 1 18 VAL MG2 . . 4.570 3.817 3.700 3.846 . 0 0 "[ . 1 . 2]" 2
749 1 22 LYS H 1 22 LYS HG2 . . 4.630 3.469 2.615 4.644 0.014 5 0 "[ . 1 . 2]" 2
750 1 17 CYS H 1 23 ALA MB . . 4.520 4.271 3.654 4.595 0.075 15 0 "[ . 1 . 2]" 2
751 1 15 TYR H 1 23 ALA MB . . 4.510 4.218 3.847 4.511 0.001 1 0 "[ . 1 . 2]" 2
752 1 23 ALA MB 1 24 PHE QD . . 4.760 4.639 4.323 4.790 0.030 13 0 "[ . 1 . 2]" 2
753 1 13 LYS HB2 1 23 ALA MB . . 4.320 2.226 1.955 2.980 . 0 0 "[ . 1 . 2]" 2
754 1 13 LYS HD2 1 23 ALA MB . . 4.460 3.251 1.943 4.463 0.003 20 0 "[ . 1 . 2]" 2
755 1 24 PHE QD 1 30 LEU HB3 . . 4.700 3.674 3.606 3.748 . 0 0 "[ . 1 . 2]" 2
756 1 24 PHE QD 1 29 ILE HB . . 4.740 3.598 3.263 3.876 . 0 0 "[ . 1 . 2]" 2
757 1 24 PHE HZ 1 33 HIS HB2 . . 4.740 3.070 2.208 3.572 . 0 0 "[ . 1 . 2]" 2
758 1 31 VAL MG1 1 34 GLN HE22 . . 5.480 5.025 4.601 5.482 0.002 20 0 "[ . 1 . 2]" 2
759 1 30 LEU MD1 1 33 HIS HB2 . . 5.050 4.682 4.163 5.060 0.010 11 0 "[ . 1 . 2]" 2
760 1 50 LYS HB2 1 52 PHE HZ . . 4.730 3.407 2.758 3.827 . 0 0 "[ . 1 . 2]" 2
761 1 61 HIS HA 1 64 ILE MD . . 4.700 3.176 2.868 4.706 0.006 10 0 "[ . 1 . 2]" 2
762 1 61 HIS HA 1 64 ILE MG . . 4.400 2.265 1.974 2.981 . 0 0 "[ . 1 . 2]" 2
763 1 16 GLY HA2 1 23 ALA HA . . 4.650 1.988 1.953 2.082 . 0 0 "[ . 1 . 2]" 2
764 1 51 ALA MB 1 52 PHE QD . . 4.820 4.186 3.965 4.320 . 0 0 "[ . 1 . 2]" 2
765 1 45 CYS H 1 51 ALA MB . . 5.140 4.674 4.480 4.840 . 0 0 "[ . 1 . 2]" 2
766 1 51 ALA MB 1 53 SER H . . 5.500 5.052 4.401 5.246 . 0 0 "[ . 1 . 2]" 2
767 1 58 LEU HG 1 59 ILE HA . . 4.790 3.088 2.943 3.210 . 0 0 "[ . 1 . 2]" 2
768 1 58 LEU HG 1 59 ILE H . . 4.920 3.167 2.895 3.373 . 0 0 "[ . 1 . 2]" 2
769 1 33 HIS H 1 34 GLN HA . . 5.270 4.964 4.854 5.139 . 0 0 "[ . 1 . 2]" 2
770 1 34 GLN HA 1 36 VAL H . . 4.640 4.073 3.499 4.647 0.007 12 0 "[ . 1 . 2]" 2
771 1 61 HIS H 1 62 GLN HA . . 5.500 4.933 4.853 5.022 . 0 0 "[ . 1 . 2]" 2
772 1 30 LEU MD1 1 34 GLN HA . . 4.510 4.319 3.975 4.517 0.007 11 0 "[ . 1 . 2]" 2
773 1 34 GLN HA 1 36 VAL MG2 . . 4.840 3.580 3.204 3.901 . 0 0 "[ . 1 . 2]" 2
774 1 24 PHE HB3 1 30 LEU MD1 . . 5.150 4.996 4.829 5.141 . 0 0 "[ . 1 . 2]" 2
775 1 24 PHE HB3 1 30 LEU HB3 . . 5.450 4.957 4.388 5.229 . 0 0 "[ . 1 . 2]" 2
776 1 24 PHE HB2 1 30 LEU HG . . 5.500 5.376 5.203 5.510 0.010 9 0 "[ . 1 . 2]" 2
777 1 24 PHE HB2 1 30 LEU HB2 . . 4.630 2.385 2.196 2.527 . 0 0 "[ . 1 . 2]" 2
778 1 32 GLN QB 1 33 HIS HA . . 4.890 4.043 3.891 4.659 . 0 0 "[ . 1 . 2]" 2
779 1 33 HIS HA 1 35 ARG H . . 4.880 4.208 3.791 4.809 . 0 0 "[ . 1 . 2]" 2
780 1 33 HIS HA 1 36 VAL H . . 4.780 3.714 3.407 3.968 . 0 0 "[ . 1 . 2]" 2
781 1 24 PHE QD 1 33 HIS HB3 . . 5.500 4.130 3.866 4.390 . 0 0 "[ . 1 . 2]" 2
782 1 24 PHE QE 1 33 HIS HB3 . . 4.870 2.947 2.466 3.253 . 0 0 "[ . 1 . 2]" 2
783 1 24 PHE HZ 1 33 HIS HB3 . . 5.260 3.241 2.542 3.743 . 0 0 "[ . 1 . 2]" 2
784 1 30 LEU HG 1 33 HIS HB3 . . 5.500 4.836 4.439 5.154 . 0 0 "[ . 1 . 2]" 2
785 1 30 LEU HB2 1 33 HIS HB3 . . 5.500 4.784 4.698 4.910 . 0 0 "[ . 1 . 2]" 2
786 1 22 LYS QD 1 33 HIS HB2 . . 5.500 5.448 4.521 5.553 0.053 16 0 "[ . 1 . 2]" 2
787 1 24 PHE QD 1 33 HIS HB2 . . 5.220 4.828 4.361 5.164 . 0 0 "[ . 1 . 2]" 2
788 1 54 GLN HB2 1 57 GLY HA3 . . 5.350 3.939 3.343 4.272 . 0 0 "[ . 1 . 2]" 2
789 1 57 GLY HA3 1 60 ASN H . . 5.210 4.945 4.827 5.088 . 0 0 "[ . 1 . 2]" 2
790 1 54 GLN H 1 57 GLY HA3 . . 5.500 4.533 4.324 4.803 . 0 0 "[ . 1 . 2]" 2
791 1 52 PHE QD 1 57 GLY HA2 . . 4.980 4.902 4.695 4.990 0.010 15 0 "[ . 1 . 2]" 2
792 1 57 GLY HA2 1 61 HIS H . . 5.500 4.684 4.405 4.769 . 0 0 "[ . 1 . 2]" 2
793 1 56 SER HA 1 59 ILE HG12 . . 5.080 5.016 4.705 5.090 0.010 7 0 "[ . 1 . 2]" 2
794 1 56 SER HA 1 58 LEU H . . 5.500 4.662 4.470 4.879 . 0 0 "[ . 1 . 2]" 2
795 1 54 GLN QG 1 56 SER QB . . 5.440 4.600 4.120 5.057 . 0 0 "[ . 1 . 2]" 2
796 1 56 SER QB 1 59 ILE HB . . 5.350 5.131 4.879 5.317 . 0 0 "[ . 1 . 2]" 2
797 1 56 SER QB 1 59 ILE MD . . 5.290 4.249 3.726 4.642 . 0 0 "[ . 1 . 2]" 2
798 1 56 SER QB 1 57 GLY H . . 5.060 2.918 2.741 3.052 . 0 0 "[ . 1 . 2]" 2
799 1 55 ASN HA 1 59 ILE MD . . 5.320 4.426 4.129 4.717 . 0 0 "[ . 1 . 2]" 2
800 1 41 LYS QE 1 42 PRO HA . . 5.500 5.313 3.394 5.574 0.074 2 0 "[ . 1 . 2]" 2
801 1 42 PRO HD2 1 53 SER QB . . 4.820 4.634 3.779 4.829 0.009 2 0 "[ . 1 . 2]" 2
802 1 42 PRO HD3 1 53 SER QB . . 5.500 5.380 4.283 5.555 0.055 20 0 "[ . 1 . 2]" 2
803 1 42 PRO HD2 1 43 TYR HB2 . . 5.160 4.620 4.506 4.899 . 0 0 "[ . 1 . 2]" 2
804 1 41 LYS QE 1 42 PRO HD3 . . 5.500 5.404 4.040 5.601 0.101 20 0 "[ . 1 . 2]" 2
805 1 35 ARG H 1 35 ARG QD . . 4.640 3.828 3.106 4.247 . 0 0 "[ . 1 . 2]" 2
806 1 64 ILE MD 1 65 HIS H . . 4.910 3.663 2.807 3.948 . 0 0 "[ . 1 . 2]" 2
807 1 62 GLN HA 1 64 ILE MG . . 5.030 4.469 4.294 4.780 . 0 0 "[ . 1 . 2]" 2
808 1 63 ARG QD 1 64 ILE MG . . 5.370 3.709 3.237 4.189 . 0 0 "[ . 1 . 2]" 2
809 1 61 HIS HB2 1 64 ILE MG . . 5.490 4.307 4.020 5.017 . 0 0 "[ . 1 . 2]" 2
810 1 64 ILE MG 1 65 HIS HD2 . . 5.500 5.422 5.224 5.508 0.008 1 0 "[ . 1 . 2]" 2
811 1 63 ARG H 1 64 ILE MG . . 5.170 3.615 3.446 3.800 . 0 0 "[ . 1 . 2]" 2
812 1 64 ILE MG 1 65 HIS HA . . 5.380 5.296 5.256 5.361 . 0 0 "[ . 1 . 2]" 2
813 1 64 ILE HG12 1 65 HIS HE1 . . 5.030 3.218 3.020 3.369 . 0 0 "[ . 1 . 2]" 2
814 1 64 ILE HG13 1 65 HIS HE1 . . 5.030 3.343 3.044 3.563 . 0 0 "[ . 1 . 2]" 2
815 1 58 LEU HB3 1 59 ILE HB . . 5.410 5.305 5.246 5.400 . 0 0 "[ . 1 . 2]" 2
816 1 59 ILE HB 1 60 ASN HB2 . . 5.480 4.205 3.964 4.451 . 0 0 "[ . 1 . 2]" 2
817 1 59 ILE MG 1 63 ARG QD . . 5.430 4.451 3.572 5.266 . 0 0 "[ . 1 . 2]" 2
818 1 59 ILE MG 1 60 ASN HB2 . . 5.500 4.487 4.253 4.877 . 0 0 "[ . 1 . 2]" 2
819 1 59 ILE MG 1 62 GLN HB2 . . 5.120 3.611 3.369 3.748 . 0 0 "[ . 1 . 2]" 2
820 1 55 ASN HD22 1 59 ILE MG . . 5.500 4.348 4.055 4.955 . 0 0 "[ . 1 . 2]" 2
821 1 55 ASN HB2 1 59 ILE MD . . 5.440 4.470 4.190 4.789 . 0 0 "[ . 1 . 2]" 2
822 1 58 LEU HB3 1 59 ILE MD . . 5.500 4.914 4.472 5.094 . 0 0 "[ . 1 . 2]" 2
823 1 55 ASN HB3 1 59 ILE MD . . 5.440 3.810 3.091 4.436 . 0 0 "[ . 1 . 2]" 2
824 1 24 PHE HB2 1 29 ILE MD . . 5.130 4.317 3.950 4.801 . 0 0 "[ . 1 . 2]" 2
825 1 24 PHE QD 1 29 ILE MD . . 4.830 3.685 3.417 4.097 . 0 0 "[ . 1 . 2]" 2
826 1 24 PHE H 1 29 ILE MG . . 5.500 5.530 5.459 5.606 0.106 7 0 "[ . 1 . 2]" 2
827 1 24 PHE HA 1 29 ILE MG . . 4.990 4.008 3.599 4.300 . 0 0 "[ . 1 . 2]" 2
828 1 29 ILE MG 1 33 HIS HA . . 5.440 5.389 5.200 5.491 0.051 7 0 "[ . 1 . 2]" 2
829 1 29 ILE MG 1 33 HIS HB3 . . 4.920 3.946 3.748 4.347 . 0 0 "[ . 1 . 2]" 2
830 1 29 ILE HG13 1 30 LEU H . . 5.500 4.225 4.080 4.481 . 0 0 "[ . 1 . 2]" 2
831 1 26 ARG H 1 29 ILE HG12 . . 5.500 5.499 5.215 5.589 0.089 19 0 "[ . 1 . 2]" 2
832 1 29 ILE HG12 1 30 LEU H . . 5.500 5.017 4.790 5.174 . 0 0 "[ . 1 . 2]" 2
833 1 29 ILE HA 1 31 VAL H . . 5.500 4.815 4.578 5.058 . 0 0 "[ . 1 . 2]" 2
834 1 29 ILE HA 1 32 GLN HG2 . . 5.500 4.729 2.651 5.446 . 0 0 "[ . 1 . 2]" 2
835 1 29 ILE HA 1 32 GLN HG3 . . 5.500 3.847 3.201 4.362 . 0 0 "[ . 1 . 2]" 2
836 1 62 GLN HB2 1 66 THR MG . . 5.430 4.621 4.366 4.977 . 0 0 "[ . 1 . 2]" 2
837 1 62 GLN HB3 1 66 THR MG . . 4.880 3.757 3.554 3.995 . 0 0 "[ . 1 . 2]" 2
838 1 36 VAL HA 1 38 THR MG . . 4.930 3.982 2.934 4.933 0.003 14 0 "[ . 1 . 2]" 2
839 1 62 GLN HA 1 66 THR MG . . 5.490 4.436 4.323 4.631 . 0 0 "[ . 1 . 2]" 2
840 1 62 GLN H 1 66 THR MG . . 5.500 5.455 5.300 5.512 0.012 7 0 "[ . 1 . 2]" 2
841 1 47 GLU HG2 1 65 HIS HB2 . . 5.500 2.545 1.997 4.517 . 0 0 "[ . 1 . 2]" 2
842 1 47 GLU H 1 47 GLU HG2 . . 4.840 4.192 1.890 4.803 . 0 0 "[ . 1 . 2]" 2
843 1 19 GLU HG2 1 20 CYS H . . 5.370 4.552 4.157 5.149 . 0 0 "[ . 1 . 2]" 2
844 1 19 GLU HG3 1 37 HIS HD2 . . 5.500 3.413 2.401 5.363 . 0 0 "[ . 1 . 2]" 2
845 1 19 GLU HG2 1 37 HIS HD2 . . 5.500 4.461 3.531 5.150 . 0 0 "[ . 1 . 2]" 2
846 1 61 HIS HA 1 65 HIS H . . 5.500 5.479 5.390 5.524 0.024 12 0 "[ . 1 . 2]" 2
847 1 13 LYS HA 1 15 TYR QD . . 5.500 5.276 4.910 5.512 0.012 20 0 "[ . 1 . 2]" 2
848 1 13 LYS HA 1 26 ARG H . . 5.500 5.363 4.883 5.506 0.006 20 0 "[ . 1 . 2]" 2
849 1 14 PRO HA 1 15 TYR HB2 . . 5.500 5.547 5.503 5.625 0.125 20 0 "[ . 1 . 2]" 2
850 1 14 PRO HB3 1 15 TYR QD . . 5.420 4.614 4.265 4.779 . 0 0 "[ . 1 . 2]" 2
851 1 18 VAL MG1 1 19 GLU HA . . 4.790 3.350 3.104 3.644 . 0 0 "[ . 1 . 2]" 2
852 1 22 LYS HA 1 23 ALA HA . . 5.310 4.384 4.374 4.403 . 0 0 "[ . 1 . 2]" 2
853 1 17 CYS HB3 1 22 LYS HB3 . . 5.500 3.852 2.582 4.301 . 0 0 "[ . 1 . 2]" 2
854 1 17 CYS HB3 1 22 LYS HB2 . . 5.500 3.006 2.460 4.111 . 0 0 "[ . 1 . 2]" 2
855 1 17 CYS HB2 1 22 LYS HB2 . . 5.500 3.619 2.439 5.036 . 0 0 "[ . 1 . 2]" 2
856 1 22 LYS HG3 1 24 PHE QE . . 5.340 3.993 2.938 4.997 . 0 0 "[ . 1 . 2]" 2
857 1 13 LYS QE 1 23 ALA MB . . 4.970 3.725 1.921 4.651 . 0 0 "[ . 1 . 2]" 2
858 1 14 PRO HA 1 23 ALA MB . . 5.500 5.519 5.447 5.577 0.077 14 0 "[ . 1 . 2]" 2
859 1 13 LYS HA 1 23 ALA MB . . 5.140 4.445 4.061 4.674 . 0 0 "[ . 1 . 2]" 2
860 1 28 SER HA 1 32 GLN H . . 5.250 4.184 3.713 4.455 . 0 0 "[ . 1 . 2]" 2
861 1 30 LEU HA 1 33 HIS HA . . 5.500 5.361 5.222 5.519 0.019 11 0 "[ . 1 . 2]" 2
862 1 29 ILE HA 1 30 LEU HA . . 5.470 4.780 4.743 4.817 . 0 0 "[ . 1 . 2]" 2
863 1 30 LEU HA 1 31 VAL HA . . 5.500 4.857 4.826 4.891 . 0 0 "[ . 1 . 2]" 2
864 1 30 LEU HA 1 34 GLN HG3 . . 5.110 4.038 3.645 4.449 . 0 0 "[ . 1 . 2]" 2
865 1 29 ILE HB 1 30 LEU HA . . 5.340 4.254 4.155 4.441 . 0 0 "[ . 1 . 2]" 2
866 1 30 LEU HB3 1 31 VAL HA . . 5.280 4.423 4.264 4.645 . 0 0 "[ . 1 . 2]" 2
867 1 15 TYR HB3 1 30 LEU HB3 . . 4.610 3.611 3.391 3.949 . 0 0 "[ . 1 . 2]" 2
868 1 30 LEU MD2 1 31 VAL H . . 4.850 3.845 3.544 4.135 . 0 0 "[ . 1 . 2]" 2
869 1 15 TYR H 1 30 LEU MD2 . . 5.310 5.103 4.955 5.292 . 0 0 "[ . 1 . 2]" 2
870 1 30 LEU MD1 1 31 VAL H . . 5.180 4.172 3.888 4.397 . 0 0 "[ . 1 . 2]" 2
871 1 24 PHE HZ 1 30 LEU MD1 . . 5.410 4.121 3.081 4.748 . 0 0 "[ . 1 . 2]" 2
872 1 31 VAL HA 1 34 GLN HE22 . . 5.050 4.142 3.744 4.682 . 0 0 "[ . 1 . 2]" 2
873 1 31 VAL MG2 1 34 GLN HE22 . . 5.480 4.169 3.709 4.886 . 0 0 "[ . 1 . 2]" 2
874 1 32 GLN HA 1 35 ARG H . . 4.850 3.641 3.505 3.866 . 0 0 "[ . 1 . 2]" 2
875 1 32 GLN QB 1 33 HIS HB3 . . 5.220 4.512 4.299 5.216 . 0 0 "[ . 1 . 2]" 2
876 1 32 GLN QB 1 35 ARG QD . . 5.500 4.177 3.257 5.496 . 0 0 "[ . 1 . 2]" 2
877 1 32 GLN QB 1 33 HIS HB2 . . 5.370 4.413 4.185 5.278 . 0 0 "[ . 1 . 2]" 2
878 1 31 VAL H 1 32 GLN QB . . 5.380 4.821 4.651 5.021 . 0 0 "[ . 1 . 2]" 2
879 1 8 ILE HA 1 8 ILE MD . . 4.730 3.587 2.086 4.171 . 0 0 "[ . 1 . 2]" 2
880 1 52 PHE QE 1 61 HIS HB2 . . 5.010 2.908 2.643 3.088 . 0 0 "[ . 1 . 2]" 2
881 1 52 PHE HB3 1 58 LEU MD1 . . 5.500 4.957 4.776 5.232 . 0 0 "[ . 1 . 2]" 2
882 1 52 PHE HB3 1 58 LEU MD2 . . 5.500 5.446 5.315 5.509 0.009 17 0 "[ . 1 . 2]" 2
883 1 52 PHE HB3 1 58 LEU HB2 . . 4.600 3.677 3.575 3.898 . 0 0 "[ . 1 . 2]" 2
884 1 52 PHE HB3 1 58 LEU HB3 . . 5.140 4.473 4.347 4.603 . 0 0 "[ . 1 . 2]" 2
885 1 52 PHE HB2 1 58 LEU HB3 . . 4.770 3.264 3.092 3.358 . 0 0 "[ . 1 . 2]" 2
886 1 43 TYR HB2 1 52 PHE QD . . 4.820 3.619 3.337 3.891 . 0 0 "[ . 1 . 2]" 2
887 1 15 TYR HB2 1 24 PHE QD . . 5.140 4.799 3.749 5.148 0.008 19 0 "[ . 1 . 2]" 2
888 1 14 PRO HA 1 15 TYR QD . . 4.970 4.864 4.462 4.984 0.014 19 0 "[ . 1 . 2]" 2
889 1 17 CYS HB2 1 24 PHE QD . . 5.290 4.176 3.749 4.910 . 0 0 "[ . 1 . 2]" 2
890 1 17 CYS HB3 1 24 PHE QD . . 5.290 5.149 4.709 5.364 0.074 16 0 "[ . 1 . 2]" 2
891 1 19 GLU QB 1 20 CYS HB2 . . 5.280 4.952 4.900 4.994 . 0 0 "[ . 1 . 2]" 2
892 1 48 CYS HB2 1 49 GLY H . . 5.090 3.761 3.641 3.868 . 0 0 "[ . 1 . 2]" 2
893 1 44 LYS QG 1 49 GLY HA2 . . 4.610 3.338 2.956 3.866 . 0 0 "[ . 1 . 2]" 2
894 1 44 LYS QG 1 49 GLY HA3 . . 5.040 4.605 4.233 5.071 0.031 12 0 "[ . 1 . 2]" 2
895 1 23 ALA HA 1 24 PHE QD . . 5.190 3.624 3.089 4.116 . 0 0 "[ . 1 . 2]" 2
896 1 23 ALA MB 1 24 PHE QE . . 5.500 5.327 4.979 5.474 . 0 0 "[ . 1 . 2]" 2
897 1 28 SER QB 1 31 VAL HB . . 4.880 4.651 4.425 4.788 . 0 0 "[ . 1 . 2]" 2
898 1 28 SER QB 1 31 VAL MG1 . . 5.500 5.396 5.186 5.511 0.011 7 0 "[ . 1 . 2]" 2
899 1 28 SER QB 1 31 VAL MG2 . . 5.500 4.602 4.235 5.143 . 0 0 "[ . 1 . 2]" 2
900 1 35 ARG HB2 1 36 VAL H . . 4.940 3.497 2.368 4.226 . 0 0 "[ . 1 . 2]" 2
901 1 36 VAL MG1 1 37 HIS HD2 . . 5.430 5.174 4.607 5.436 0.006 16 0 "[ . 1 . 2]" 2
902 1 36 VAL MG2 1 37 HIS HD2 . . 5.160 3.036 2.692 3.470 . 0 0 "[ . 1 . 2]" 2
903 1 36 VAL MG2 1 37 HIS HB2 . . 5.280 3.818 3.621 4.245 . 0 0 "[ . 1 . 2]" 2
904 1 34 GLN HA 1 36 VAL MG1 . . 5.240 5.007 4.544 5.240 . 0 0 "[ . 1 . 2]" 2
905 1 33 HIS HB3 1 36 VAL MG1 . . 5.500 5.047 4.684 5.389 . 0 0 "[ . 1 . 2]" 2
906 1 35 ARG QD 1 36 VAL MG1 . . 5.500 4.203 1.945 5.548 0.048 14 0 "[ . 1 . 2]" 2
907 1 19 GLU QB 1 37 HIS HB3 . . 5.500 3.562 2.747 4.442 . 0 0 "[ . 1 . 2]" 2
908 1 37 HIS HB3 1 38 THR MG . . 5.500 4.951 4.292 5.515 0.015 10 0 "[ . 1 . 2]" 2
909 1 19 GLU QB 1 37 HIS HB2 . . 5.500 3.910 3.506 4.707 . 0 0 "[ . 1 . 2]" 2
910 1 37 HIS HB2 1 38 THR MG . . 5.430 4.403 3.625 5.069 . 0 0 "[ . 1 . 2]" 2
911 1 39 GLY HA2 1 40 GLU QB . . 5.400 4.689 4.022 5.416 0.016 3 0 "[ . 1 . 2]" 2
912 1 39 GLY HA3 1 40 GLU QB . . 5.400 4.860 4.141 5.433 0.033 9 0 "[ . 1 . 2]" 2
913 1 43 TYR HB3 1 52 PHE H . . 4.900 4.528 4.231 4.754 . 0 0 "[ . 1 . 2]" 2
914 1 43 TYR HB3 1 52 PHE QD . . 5.070 4.274 3.964 4.758 . 0 0 "[ . 1 . 2]" 2
915 1 43 TYR QD 1 44 LYS H . . 4.670 4.541 4.379 4.687 0.017 17 0 "[ . 1 . 2]" 2
916 1 44 LYS HB2 1 58 LEU MD1 . . 5.500 5.152 4.922 5.474 . 0 0 "[ . 1 . 2]" 2
917 1 44 LYS HB2 1 58 LEU MD2 . . 5.500 5.421 5.192 5.513 0.013 20 0 "[ . 1 . 2]" 2
918 1 44 LYS HB3 1 58 LEU MD1 . . 5.500 4.810 4.561 5.076 . 0 0 "[ . 1 . 2]" 2
919 1 44 LYS HB3 1 58 LEU MD2 . . 5.500 5.073 4.855 5.294 . 0 0 "[ . 1 . 2]" 2
920 1 44 LYS HB2 1 51 ALA HA . . 5.200 3.826 3.382 4.230 . 0 0 "[ . 1 . 2]" 2
921 1 44 LYS HB3 1 51 ALA HA . . 5.200 4.899 4.644 5.247 0.047 12 0 "[ . 1 . 2]" 2
922 1 44 LYS QG 1 51 ALA HA . . 5.090 3.256 2.808 3.824 . 0 0 "[ . 1 . 2]" 2
923 1 43 TYR HA 1 44 LYS HB2 . . 5.260 4.524 4.342 4.748 . 0 0 "[ . 1 . 2]" 2
924 1 43 TYR HA 1 44 LYS HB3 . . 5.260 4.807 4.490 4.992 . 0 0 "[ . 1 . 2]" 2
925 1 44 LYS H 1 44 LYS QD . . 5.320 4.571 3.897 4.886 . 0 0 "[ . 1 . 2]" 2
926 1 44 LYS QD 1 51 ALA HA . . 5.300 4.903 4.220 5.338 0.038 4 0 "[ . 1 . 2]" 2
927 1 44 LYS QD 1 49 GLY HA2 . . 5.010 4.268 2.401 4.721 . 0 0 "[ . 1 . 2]" 2
928 1 44 LYS QD 1 49 GLY HA3 . . 5.500 5.229 3.695 5.550 0.050 17 0 "[ . 1 . 2]" 2
929 1 45 CYS HB3 1 49 GLY HA2 . . 5.140 2.864 2.374 3.564 . 0 0 "[ . 1 . 2]" 2
930 1 46 LEU HA 1 48 CYS H . . 5.500 4.652 4.325 5.067 . 0 0 "[ . 1 . 2]" 2
931 1 46 LEU HA 1 50 LYS H . . 5.500 5.430 5.063 5.538 0.038 18 0 "[ . 1 . 2]" 2
932 1 45 CYS HA 1 46 LEU HB2 . . 5.500 4.480 4.168 5.579 0.079 4 0 "[ . 1 . 2]" 2
933 1 45 CYS HA 1 46 LEU HB3 . . 5.500 5.541 4.937 5.612 0.112 12 0 "[ . 1 . 2]" 2
934 1 45 CYS HA 1 46 LEU HG . . 5.500 4.302 3.111 5.482 . 0 0 "[ . 1 . 2]" 2
935 1 46 LEU HG 1 47 GLU H . . 5.450 4.634 2.804 5.124 . 0 0 "[ . 1 . 2]" 2
936 1 46 LEU H 1 46 LEU MD1 . . 4.910 3.668 2.391 4.132 . 0 0 "[ . 1 . 2]" 2
937 1 46 LEU MD1 1 47 GLU H . . 5.500 4.848 4.217 5.452 . 0 0 "[ . 1 . 2]" 2
938 1 46 LEU MD2 1 47 GLU H . . 5.500 4.762 3.731 5.213 . 0 0 "[ . 1 . 2]" 2
939 1 50 LYS HB2 1 52 PHE QE . . 4.610 3.488 2.302 3.896 . 0 0 "[ . 1 . 2]" 2
940 1 50 LYS HG2 1 51 ALA H . . 4.750 3.678 2.691 4.516 . 0 0 "[ . 1 . 2]" 2
941 1 50 LYS HG2 1 52 PHE HZ . . 5.500 3.021 2.037 4.796 . 0 0 "[ . 1 . 2]" 2
942 1 50 LYS HG3 1 51 ALA H . . 4.750 2.931 1.917 4.836 0.086 17 0 "[ . 1 . 2]" 2
943 1 50 LYS HG3 1 52 PHE QE . . 5.500 3.922 2.845 4.639 . 0 0 "[ . 1 . 2]" 2
944 1 50 LYS HG3 1 52 PHE HZ . . 5.500 3.826 2.986 4.660 . 0 0 "[ . 1 . 2]" 2
945 1 51 ALA HA 1 58 LEU MD1 . . 5.030 4.066 3.645 4.408 . 0 0 "[ . 1 . 2]" 2
946 1 51 ALA HA 1 52 PHE HB2 . . 5.150 4.620 4.556 4.683 . 0 0 "[ . 1 . 2]" 2
947 1 45 CYS HB2 1 51 ALA HA . . 5.500 5.254 4.955 5.491 . 0 0 "[ . 1 . 2]" 2
948 1 51 ALA HA 1 52 PHE QE . . 5.130 3.944 3.623 4.111 . 0 0 "[ . 1 . 2]" 2
949 1 51 ALA MB 1 52 PHE HA . . 4.920 3.890 3.782 3.971 . 0 0 "[ . 1 . 2]" 2
950 1 41 LYS HA 1 51 ALA MB . . 5.070 4.111 3.858 4.585 . 0 0 "[ . 1 . 2]" 2
951 1 44 LYS H 1 51 ALA MB . . 5.500 5.067 4.600 5.498 . 0 0 "[ . 1 . 2]" 2
952 1 41 LYS HA 1 53 SER HA . . 4.370 2.086 1.967 2.465 . 0 0 "[ . 1 . 2]" 2
953 1 43 TYR QD 1 53 SER HA . . 5.500 3.813 3.198 4.631 . 0 0 "[ . 1 . 2]" 2
954 1 55 ASN HA 1 58 LEU HG . . 4.910 4.783 4.570 4.913 0.003 2 0 "[ . 1 . 2]" 2
955 1 52 PHE HB3 1 58 LEU HA . . 5.080 4.071 3.896 4.315 . 0 0 "[ . 1 . 2]" 2
956 1 57 GLY HA2 1 58 LEU HA . . 5.500 4.776 4.749 4.799 . 0 0 "[ . 1 . 2]" 2
957 1 58 LEU HA 1 59 ILE HA . . 5.500 4.827 4.788 4.861 . 0 0 "[ . 1 . 2]" 2
958 1 57 GLY HA3 1 58 LEU HA . . 5.500 4.334 4.317 4.352 . 0 0 "[ . 1 . 2]" 2
959 1 58 LEU HA 1 61 HIS HA . . 5.500 5.389 5.222 5.510 0.010 10 0 "[ . 1 . 2]" 2
960 1 58 LEU HA 1 61 HIS HD2 . . 4.780 4.202 3.779 4.503 . 0 0 "[ . 1 . 2]" 2
961 1 52 PHE HZ 1 58 LEU HA . . 5.470 3.860 3.637 4.090 . 0 0 "[ . 1 . 2]" 2
962 1 43 TYR QD 1 58 LEU HB2 . . 5.400 4.784 4.024 5.116 . 0 0 "[ . 1 . 2]" 2
963 1 52 PHE QD 1 58 LEU HG . . 5.500 4.624 4.411 5.135 . 0 0 "[ . 1 . 2]" 2
964 1 30 LEU MD2 1 31 VAL HA . . 5.320 4.416 4.221 4.594 . 0 0 "[ . 1 . 2]" 2
965 1 58 LEU MD2 1 59 ILE HA . . 5.500 4.119 3.997 4.285 . 0 0 "[ . 1 . 2]" 2
966 1 58 LEU H 1 59 ILE HA . . 5.500 5.260 5.170 5.324 . 0 0 "[ . 1 . 2]" 2
967 1 59 ILE HB 1 60 ASN HA . . 5.220 4.196 4.134 4.251 . 0 0 "[ . 1 . 2]" 2
968 1 59 ILE HA 1 60 ASN HA . . 5.360 4.792 4.754 4.809 . 0 0 "[ . 1 . 2]" 2
969 1 59 ILE MG 1 60 ASN HB3 . . 5.500 5.176 4.890 5.503 0.003 12 0 "[ . 1 . 2]" 2
970 1 59 ILE HB 1 60 ASN HB3 . . 5.480 4.908 4.447 5.564 0.084 17 0 "[ . 1 . 2]" 2
971 1 52 PHE HZ 1 61 HIS HA . . 5.490 5.127 5.014 5.275 . 0 0 "[ . 1 . 2]" 2
972 1 33 HIS HD2 1 34 GLN HB2 . . 5.360 5.089 4.607 5.370 0.010 8 0 "[ . 1 . 2]" 2
973 1 61 HIS HD2 1 62 GLN HB2 . . 5.500 5.108 4.694 5.346 . 0 0 "[ . 1 . 2]" 2
974 1 34 GLN HB2 1 37 HIS HD2 . . 5.500 5.062 4.907 5.409 . 0 0 "[ . 1 . 2]" 2
975 1 62 GLN HB2 1 65 HIS HD2 . . 5.500 4.797 4.521 5.090 . 0 0 "[ . 1 . 2]" 2
976 1 34 GLN HB3 1 34 GLN HE22 . . 5.280 3.929 3.585 4.526 . 0 0 "[ . 1 . 2]" 2
977 1 33 HIS HD2 1 34 GLN HB3 . . 5.500 5.292 4.902 5.492 . 0 0 "[ . 1 . 2]" 2
978 1 61 HIS HD2 1 62 GLN HB3 . . 5.500 5.352 4.904 5.501 0.001 12 0 "[ . 1 . 2]" 2
979 1 34 GLN HB3 1 37 HIS HD2 . . 5.500 4.260 3.782 4.667 . 0 0 "[ . 1 . 2]" 2
980 1 62 GLN HB3 1 65 HIS HD2 . . 5.500 3.677 3.254 3.940 . 0 0 "[ . 1 . 2]" 2
981 1 30 LEU MD1 1 34 GLN HB3 . . 5.390 4.657 4.368 5.223 . 0 0 "[ . 1 . 2]" 2
982 1 58 LEU MD1 1 62 GLN HB3 . . 5.500 4.816 4.421 5.181 . 0 0 "[ . 1 . 2]" 2
983 1 58 LEU MD1 1 62 GLN HB2 . . 5.180 4.382 3.894 4.919 . 0 0 "[ . 1 . 2]" 2
984 1 58 LEU MD2 1 62 GLN HB2 . . 5.500 5.122 4.671 5.456 . 0 0 "[ . 1 . 2]" 2
985 1 34 GLN HB2 1 35 ARG HA . . 5.300 4.487 4.356 4.637 . 0 0 "[ . 1 . 2]" 2
986 1 62 GLN HB2 1 63 ARG HA . . 5.500 4.475 4.318 4.816 . 0 0 "[ . 1 . 2]" 2
987 1 34 GLN HB3 1 35 ARG HA . . 5.420 4.347 4.076 4.589 . 0 0 "[ . 1 . 2]" 2
988 1 62 GLN HB3 1 63 ARG HA . . 5.500 4.333 4.107 4.472 . 0 0 "[ . 1 . 2]" 2
989 1 34 GLN HA 1 35 ARG HA . . 5.350 4.761 4.641 4.865 . 0 0 "[ . 1 . 2]" 2
990 1 62 GLN HA 1 63 ARG HA . . 5.500 4.790 4.703 4.852 . 0 0 "[ . 1 . 2]" 2
991 1 34 GLN H 1 35 ARG HA . . 5.400 4.957 4.805 5.204 . 0 0 "[ . 1 . 2]" 2
992 1 62 GLN H 1 63 ARG HA . . 5.500 4.794 4.711 4.890 . 0 0 "[ . 1 . 2]" 2
993 1 63 ARG HB2 1 64 ILE H . . 4.810 4.057 3.866 4.236 . 0 0 "[ . 1 . 2]" 2
994 1 63 ARG HB3 1 64 ILE H . . 4.790 3.926 3.799 4.158 . 0 0 "[ . 1 . 2]" 2
995 1 60 ASN HA 1 63 ARG HG2 . . 4.990 2.298 2.001 2.775 . 0 0 "[ . 1 . 2]" 2
996 1 60 ASN HA 1 63 ARG HG3 . . 4.990 3.995 3.603 4.460 . 0 0 "[ . 1 . 2]" 2
997 1 64 ILE MD 1 65 HIS HE1 . . 3.490 2.032 1.879 2.329 . 0 0 "[ . 1 . 2]" 2
998 1 20 CYS HA 1 37 HIS HE1 . . 4.500 4.208 3.819 4.502 0.002 5 0 "[ . 1 . 2]" 2
999 1 19 GLU QB 1 37 HIS HE1 . . 4.530 2.869 2.366 4.559 0.029 19 0 "[ . 1 . 2]" 2
1000 1 47 GLU H 1 48 CYS HA . . 5.500 5.105 4.749 5.339 . 0 0 "[ . 1 . 2]" 2
1001 1 48 CYS HA 1 49 GLY HA3 . . 5.410 4.535 4.528 4.544 . 0 0 "[ . 1 . 2]" 2
1002 1 48 CYS HA 1 49 GLY HA2 . . 5.500 5.096 5.066 5.142 . 0 0 "[ . 1 . 2]" 2
1003 1 47 GLU HA 1 48 CYS HA . . 5.290 4.547 4.535 4.558 . 0 0 "[ . 1 . 2]" 2
1004 1 19 GLU HA 1 20 CYS HA . . 5.500 4.537 4.531 4.548 . 0 0 "[ . 1 . 2]" 2
1005 1 66 THR MG 1 67 SER QB . . 5.500 4.688 2.937 5.487 . 0 0 "[ . 1 . 2]" 2
1006 1 33 HIS HA 1 36 VAL HB . . 5.260 4.952 4.720 5.266 0.006 14 0 "[ . 1 . 2]" 2
1007 1 34 GLN HA 1 37 HIS HB3 . . 5.350 5.222 5.007 5.355 0.005 17 0 "[ . 1 . 2]" 2
1008 1 34 GLN HG3 1 37 HIS HD2 . . 5.380 5.082 4.707 5.367 . 0 0 "[ . 1 . 2]" 2
1009 1 33 HIS HD2 1 34 GLN HG3 . . 4.600 3.510 3.073 3.934 . 0 0 "[ . 1 . 2]" 2
1010 1 34 GLN HG2 1 35 ARG H . . 5.500 4.960 4.801 5.209 . 0 0 "[ . 1 . 2]" 2
1011 1 30 LEU HG 1 34 GLN HG2 . . 4.770 3.797 3.242 4.349 . 0 0 "[ . 1 . 2]" 2
1012 1 64 ILE MG 1 65 HIS HE1 . . 4.620 4.523 4.300 4.633 0.013 8 0 "[ . 1 . 2]" 2
1013 1 41 LYS HA 1 43 TYR QD . . 5.370 3.806 3.413 4.610 . 0 0 "[ . 1 . 2]" 2
1014 1 41 LYS HA 1 53 SER QB . . 4.900 3.859 3.413 4.399 . 0 0 "[ . 1 . 2]" 2
1015 1 13 LYS HB2 1 25 SER HA . . 5.500 4.485 4.138 5.016 . 0 0 "[ . 1 . 2]" 2
1016 1 41 LYS HB2 1 52 PHE HA . . 5.500 4.654 3.416 5.433 . 0 0 "[ . 1 . 2]" 2
1017 1 41 LYS HB2 1 53 SER HA . . 5.500 4.575 4.000 5.290 . 0 0 "[ . 1 . 2]" 2
1018 1 13 LYS HB3 1 25 SER HA . . 5.500 3.311 2.803 4.212 . 0 0 "[ . 1 . 2]" 2
1019 1 41 LYS HB3 1 52 PHE HA . . 5.500 3.179 2.800 3.719 . 0 0 "[ . 1 . 2]" 2
1020 1 41 LYS HB3 1 53 SER HA . . 5.500 3.481 2.864 4.273 . 0 0 "[ . 1 . 2]" 2
1021 1 41 LYS HA 1 41 LYS HG2 . . 4.150 3.538 3.017 4.191 0.041 14 0 "[ . 1 . 2]" 2
1022 1 41 LYS HG2 1 53 SER HA . . 5.500 3.952 2.836 5.231 . 0 0 "[ . 1 . 2]" 2
1023 1 40 GLU QB 1 41 LYS HG3 . . 5.460 3.503 2.137 4.735 . 0 0 "[ . 1 . 2]" 2
1024 1 40 GLU QB 1 41 LYS HG2 . . 5.460 4.586 2.649 5.535 0.075 3 0 "[ . 1 . 2]" 2
1025 1 26 ARG HA 1 26 ARG QG . . 3.870 2.498 2.212 2.889 . 0 0 "[ . 1 . 2]" 2
1026 1 26 ARG QG 1 29 ILE H . . 4.860 4.703 4.365 4.870 0.010 6 0 "[ . 1 . 2]" 2
1027 1 25 SER HB3 1 29 ILE MD . . 5.500 4.745 3.713 5.385 . 0 0 "[ . 1 . 2]" 2
1028 1 25 SER HB2 1 29 ILE MD . . 5.500 4.984 3.788 5.523 0.023 13 0 "[ . 1 . 2]" 2
1029 1 25 SER HB3 1 26 ARG QG . . 4.820 3.999 2.668 4.826 0.006 6 0 "[ . 1 . 2]" 2
1030 1 25 SER HB2 1 26 ARG QG . . 4.820 3.986 3.313 4.838 0.018 20 0 "[ . 1 . 2]" 2
1031 1 14 PRO QD 1 25 SER HB2 . . 4.970 4.072 3.186 4.999 0.029 12 0 "[ . 1 . 2]" 2
1032 1 14 PRO QD 1 25 SER HB3 . . 4.970 4.348 3.479 4.987 0.017 2 0 "[ . 1 . 2]" 2
1033 1 25 SER HB3 1 26 ARG H . . 4.900 3.784 2.785 4.313 . 0 0 "[ . 1 . 2]" 2
1034 1 15 TYR HB2 1 24 PHE H . . 4.910 3.468 3.192 3.819 . 0 0 "[ . 1 . 2]" 2
1035 1 14 PRO QD 1 15 TYR QE . . 5.500 5.368 4.962 5.513 0.013 2 0 "[ . 1 . 2]" 2
1036 1 15 TYR QE 1 27 SER HA . . 5.070 3.828 3.618 4.016 . 0 0 "[ . 1 . 2]" 2
1037 1 27 SER HA 1 30 LEU HB2 . . 4.490 3.647 3.401 4.007 . 0 0 "[ . 1 . 2]" 2
1038 1 27 SER HA 1 30 LEU HG . . 5.500 4.830 4.409 5.093 . 0 0 "[ . 1 . 2]" 2
1039 1 27 SER HA 1 30 LEU HB3 . . 4.000 2.606 2.339 2.868 . 0 0 "[ . 1 . 2]" 2
1040 1 15 TYR QD 1 27 SER HA . . 4.180 3.134 2.613 3.578 . 0 0 "[ . 1 . 2]" 2
1041 1 27 SER HA 1 29 ILE H . . 5.500 4.293 3.908 4.586 . 0 0 "[ . 1 . 2]" 2
1042 1 15 TYR QD 1 27 SER HB2 . . 5.190 3.897 3.165 4.959 . 0 0 "[ . 1 . 2]" 2
1043 1 15 TYR QE 1 27 SER HB2 . . 4.710 3.139 2.646 4.242 . 0 0 "[ . 1 . 2]" 2
1044 1 15 TYR QD 1 27 SER HB3 . . 5.190 4.153 3.412 5.178 . 0 0 "[ . 1 . 2]" 2
1045 1 15 TYR QE 1 27 SER HB3 . . 4.710 3.444 2.795 4.389 . 0 0 "[ . 1 . 2]" 2
1046 1 45 CYS HB2 1 50 LYS HB2 . . 4.720 3.752 2.764 4.724 0.004 19 0 "[ . 1 . 2]" 2
1047 1 45 CYS HB2 1 50 LYS HB3 . . 4.720 3.095 2.450 4.207 . 0 0 "[ . 1 . 2]" 2
1048 1 47 GLU HG3 1 65 HIS HB3 . . 5.500 3.505 2.813 5.199 . 0 0 "[ . 1 . 2]" 2
1049 1 47 GLU HG2 1 65 HIS HB3 . . 5.500 3.109 2.003 5.476 . 0 0 "[ . 1 . 2]" 2
1050 1 47 GLU HG3 1 65 HIS HB2 . . 5.500 3.382 2.106 4.429 . 0 0 "[ . 1 . 2]" 2
1051 1 50 LYS HG2 1 52 PHE QE . . 5.500 3.425 2.857 4.894 . 0 0 "[ . 1 . 2]" 2
1052 1 47 GLU HG3 1 65 HIS HD2 . . 5.500 3.409 2.091 4.181 . 0 0 "[ . 1 . 2]" 2
1053 1 47 GLU HG2 1 65 HIS HD2 . . 5.500 2.577 2.003 3.671 . 0 0 "[ . 1 . 2]" 2
1054 1 8 ILE H 1 8 ILE QG . . 4.500 2.949 2.055 4.131 . 0 0 "[ . 1 . 2]" 2
1055 1 12 GLU H 1 12 GLU QG . . 4.670 3.318 1.937 4.338 . 0 0 "[ . 1 . 2]" 2
1056 1 12 GLU HA 1 12 GLU QG . . 3.640 2.649 2.162 3.523 . 0 0 "[ . 1 . 2]" 2
1057 1 13 LYS H 1 13 LYS QD . . 5.090 3.121 1.853 4.651 . 0 0 "[ . 1 . 2]" 2
1058 1 13 LYS HA 1 13 LYS QG . . 3.590 2.386 2.162 2.552 . 0 0 "[ . 1 . 2]" 2
1059 1 13 LYS QB 1 14 PRO QD . . 4.230 3.473 3.275 3.798 . 0 0 "[ . 1 . 2]" 2
1060 1 13 LYS QB 1 15 TYR H . . 4.690 3.011 2.771 3.769 . 0 0 "[ . 1 . 2]" 2
1061 1 13 LYS QB 1 23 ALA MB . . 3.450 2.036 1.802 2.284 . 0 0 "[ . 1 . 2]" 2
1062 1 13 LYS QB 1 24 PHE H . . 3.980 2.741 2.165 2.979 . 0 0 "[ . 1 . 2]" 2
1063 1 13 LYS QB 1 25 SER HA . . 4.830 3.224 2.760 3.971 . 0 0 "[ . 1 . 2]" 2
1064 1 13 LYS QB 1 25 SER QB . . 4.760 4.167 3.673 4.797 0.037 12 0 "[ . 1 . 2]" 2
1065 1 13 LYS QG 1 25 SER HA . . 4.420 2.572 2.193 3.278 . 0 0 "[ . 1 . 2]" 2
1066 1 13 LYS QG 1 25 SER QB . . 4.110 2.445 1.968 3.696 . 0 0 "[ . 1 . 2]" 2
1067 1 13 LYS QG 1 26 ARG H . . 5.340 4.465 4.100 5.344 0.004 14 0 "[ . 1 . 2]" 2
1068 1 13 LYS QD 1 23 ALA MB . . 3.810 2.575 1.923 3.744 . 0 0 "[ . 1 . 2]" 2
1069 1 13 LYS QD 1 25 SER QB . . 4.760 3.978 2.967 4.770 0.010 7 0 "[ . 1 . 2]" 2
1070 1 15 TYR QD 1 27 SER QB . . 4.450 3.462 2.980 4.132 . 0 0 "[ . 1 . 2]" 2
1071 1 16 GLY HA3 1 17 CYS QB . . 5.340 4.790 4.604 4.877 . 0 0 "[ . 1 . 2]" 2
1072 1 17 CYS H 1 21 GLY QA . . 5.200 3.504 3.180 4.769 . 0 0 "[ . 1 . 2]" 2
1073 1 17 CYS H 1 22 LYS QB . . 5.150 3.860 3.503 4.140 . 0 0 "[ . 1 . 2]" 2
1074 1 17 CYS QB 1 19 GLU H . . 4.430 3.919 2.638 4.073 . 0 0 "[ . 1 . 2]" 2
1075 1 17 CYS QB 1 20 CYS H . . 4.210 3.342 2.647 3.666 . 0 0 "[ . 1 . 2]" 2
1076 1 17 CYS QB 1 21 GLY H . . 3.680 2.428 1.989 2.898 . 0 0 "[ . 1 . 2]" 2
1077 1 17 CYS QB 1 22 LYS H . . 3.490 2.115 1.863 2.812 . 0 0 "[ . 1 . 2]" 2
1078 1 17 CYS QB 1 22 LYS QB . . 4.180 2.569 2.257 2.785 . 0 0 "[ . 1 . 2]" 2
1079 1 17 CYS QB 1 24 PHE QD . . 4.650 3.988 3.680 4.522 . 0 0 "[ . 1 . 2]" 2
1080 1 17 CYS QB 1 24 PHE QE . . 4.320 2.738 1.961 3.535 . 0 0 "[ . 1 . 2]" 2
1081 1 17 CYS QB 1 30 LEU MD1 . . 3.520 2.042 1.830 2.351 . 0 0 "[ . 1 . 2]" 2
1082 1 17 CYS QB 1 33 HIS HD2 . . 3.350 2.513 2.148 2.943 . 0 0 "[ . 1 . 2]" 2
1083 1 18 VAL MG1 1 19 GLU QG . . 4.000 2.545 2.067 3.086 . 0 0 "[ . 1 . 2]" 2
1084 1 18 VAL MG2 1 19 GLU QG . . 4.600 4.252 4.067 4.507 . 0 0 "[ . 1 . 2]" 2
1085 1 19 GLU H 1 19 GLU QG . . 3.550 2.404 1.887 3.112 . 0 0 "[ . 1 . 2]" 2
1086 1 19 GLU QB 1 20 CYS QB . . 4.420 3.500 3.404 3.560 . 0 0 "[ . 1 . 2]" 2
1087 1 19 GLU QG 1 20 CYS H . . 4.590 4.139 3.885 4.410 . 0 0 "[ . 1 . 2]" 2
1088 1 19 GLU QG 1 34 GLN HA . . 5.340 3.870 3.093 4.983 . 0 0 "[ . 1 . 2]" 2
1089 1 19 GLU QG 1 37 HIS HB2 . . 5.040 3.112 2.162 4.862 . 0 0 "[ . 1 . 2]" 2
1090 1 19 GLU QG 1 37 HIS HB3 . . 5.010 3.284 2.010 4.984 . 0 0 "[ . 1 . 2]" 2
1091 1 19 GLU QG 1 37 HIS HD2 . . 4.770 3.179 2.378 4.091 . 0 0 "[ . 1 . 2]" 2
1092 1 20 CYS H 1 20 CYS QB . . 3.550 2.998 2.883 3.079 . 0 0 "[ . 1 . 2]" 2
1093 1 20 CYS H 1 21 GLY QA . . 4.280 3.794 3.747 3.904 . 0 0 "[ . 1 . 2]" 2
1094 1 20 CYS HA 1 21 GLY QA . . 5.340 4.237 4.198 4.253 . 0 0 "[ . 1 . 2]" 2
1095 1 20 CYS QB 1 21 GLY H . . 4.160 3.359 3.278 3.667 . 0 0 "[ . 1 . 2]" 2
1096 1 20 CYS QB 1 37 HIS HE1 . . 3.120 2.232 1.983 2.556 . 0 0 "[ . 1 . 2]" 2
1097 1 21 GLY H 1 22 LYS QB . . 4.880 3.762 3.657 3.911 . 0 0 "[ . 1 . 2]" 2
1098 1 21 GLY QA 1 23 ALA H . . 5.340 5.211 4.970 5.383 0.043 20 0 "[ . 1 . 2]" 2
1099 1 22 LYS H 1 22 LYS QB . . 3.240 2.234 2.120 2.393 . 0 0 "[ . 1 . 2]" 2
1100 1 22 LYS H 1 22 LYS QG . . 3.860 3.187 2.532 3.986 0.126 5 0 "[ . 1 . 2]" 2
1101 1 22 LYS HA 1 22 LYS QG . . 3.620 2.427 2.119 2.815 . 0 0 "[ . 1 . 2]" 2
1102 1 22 LYS QB 1 23 ALA H . . 3.810 3.356 3.100 3.764 . 0 0 "[ . 1 . 2]" 2
1103 1 22 LYS QB 1 24 PHE QE . . 3.940 2.483 2.112 2.949 . 0 0 "[ . 1 . 2]" 2
1104 1 22 LYS QB 1 24 PHE HZ . . 3.880 2.355 1.980 3.066 . 0 0 "[ . 1 . 2]" 2
1105 1 22 LYS QE 1 22 LYS QG . . 3.240 2.224 2.015 2.561 . 0 0 "[ . 1 . 2]" 2
1106 1 22 LYS QG 1 23 ALA H . . 4.640 3.849 2.705 4.402 . 0 0 "[ . 1 . 2]" 2
1107 1 22 LYS QG 1 24 PHE QE . . 4.580 3.619 2.042 4.460 . 0 0 "[ . 1 . 2]" 2
1108 1 22 LYS QG 1 24 PHE HZ . . 4.340 2.987 1.936 4.081 . 0 0 "[ . 1 . 2]" 2
1109 1 22 LYS QG 1 33 HIS HE1 . . 3.700 2.539 1.988 3.719 0.019 11 0 "[ . 1 . 2]" 2
1110 1 24 PHE HB2 1 26 ARG QB . . 5.340 4.687 4.357 5.012 . 0 0 "[ . 1 . 2]" 2
1111 1 24 PHE HB3 1 29 ILE QG . . 4.880 4.225 3.916 4.693 . 0 0 "[ . 1 . 2]" 2
1112 1 25 SER QB 1 26 ARG H . . 4.130 3.357 2.718 3.877 . 0 0 "[ . 1 . 2]" 2
1113 1 25 SER QB 1 26 ARG QB . . 5.180 4.506 3.794 4.967 . 0 0 "[ . 1 . 2]" 2
1114 1 25 SER QB 1 26 ARG QG . . 4.210 3.349 2.644 3.944 . 0 0 "[ . 1 . 2]" 2
1115 1 26 ARG H 1 26 ARG QB . . 3.400 2.532 2.366 2.721 . 0 0 "[ . 1 . 2]" 2
1116 1 26 ARG H 1 26 ARG QD . . 5.150 4.284 2.727 4.878 . 0 0 "[ . 1 . 2]" 2
1117 1 26 ARG H 1 29 ILE QG . . 4.810 4.307 4.056 4.655 . 0 0 "[ . 1 . 2]" 2
1118 1 26 ARG QB 1 26 ARG QD . . 3.300 2.193 2.043 2.530 . 0 0 "[ . 1 . 2]" 2
1119 1 26 ARG QB 1 27 SER HA . . 5.340 4.488 4.312 4.741 . 0 0 "[ . 1 . 2]" 2
1120 1 26 ARG QB 1 28 SER QB . . 5.340 3.598 2.966 4.207 . 0 0 "[ . 1 . 2]" 2
1121 1 26 ARG QB 1 29 ILE H . . 3.300 2.695 2.437 2.948 . 0 0 "[ . 1 . 2]" 2
1122 1 26 ARG QB 1 29 ILE HA . . 5.340 4.683 4.322 5.060 . 0 0 "[ . 1 . 2]" 2
1123 1 26 ARG QB 1 29 ILE HB . . 3.800 2.968 2.544 3.380 . 0 0 "[ . 1 . 2]" 2
1124 1 26 ARG QB 1 29 ILE QG . . 3.870 2.374 1.826 2.953 . 0 0 "[ . 1 . 2]" 2
1125 1 26 ARG QB 1 29 ILE MD . . 3.190 1.932 1.806 2.207 . 0 0 "[ . 1 . 2]" 2
1126 1 26 ARG QB 1 30 LEU H . . 4.920 4.263 4.030 4.433 . 0 0 "[ . 1 . 2]" 2
1127 1 26 ARG QG 1 29 ILE QG . . 4.680 3.881 3.140 4.411 . 0 0 "[ . 1 . 2]" 2
1128 1 26 ARG QD 1 29 ILE MD . . 4.190 2.984 1.829 4.195 0.005 18 0 "[ . 1 . 2]" 2
1129 1 27 SER HA 1 31 VAL QG . . 4.860 3.920 3.648 4.274 . 0 0 "[ . 1 . 2]" 2
1130 1 27 SER QB 1 29 ILE H . . 5.340 4.919 4.457 5.189 . 0 0 "[ . 1 . 2]" 2
1131 1 27 SER QB 1 31 VAL QG . . 4.310 3.417 2.930 3.943 . 0 0 "[ . 1 . 2]" 2
1132 1 28 SER HA 1 31 VAL QG . . 3.590 2.946 2.651 3.279 . 0 0 "[ . 1 . 2]" 2
1133 1 28 SER QB 1 29 ILE QG . . 5.340 3.493 2.973 3.989 . 0 0 "[ . 1 . 2]" 2
1134 1 28 SER QB 1 31 VAL QG . . 4.730 4.355 4.056 4.688 . 0 0 "[ . 1 . 2]" 2
1135 1 29 ILE HA 1 29 ILE QG . . 3.270 2.429 2.358 2.494 . 0 0 "[ . 1 . 2]" 2
1136 1 29 ILE HA 1 32 GLN QG . . 4.630 3.591 2.628 4.080 . 0 0 "[ . 1 . 2]" 2
1137 1 29 ILE QG 1 29 ILE MG . . 3.220 2.215 2.050 2.392 . 0 0 "[ . 1 . 2]" 2
1138 1 29 ILE QG 1 30 LEU H . . 4.760 4.015 3.866 4.226 . 0 0 "[ . 1 . 2]" 2
1139 1 29 ILE QG 1 32 GLN QB . . 5.300 4.824 4.553 5.161 . 0 0 "[ . 1 . 2]" 2
1140 1 30 LEU H 1 31 VAL QG . . 4.780 4.129 3.993 4.373 . 0 0 "[ . 1 . 2]" 2
1141 1 30 LEU HB3 1 31 VAL QG . . 4.410 3.385 3.133 3.590 . 0 0 "[ . 1 . 2]" 2
1142 1 30 LEU HG 1 31 VAL QG . . 4.510 3.377 2.965 3.725 . 0 0 "[ . 1 . 2]" 2
1143 1 31 VAL H 1 31 VAL QG . . 2.930 2.116 1.873 2.341 . 0 0 "[ . 1 . 2]" 2
1144 1 31 VAL HA 1 31 VAL QG . . 2.900 2.100 2.045 2.146 . 0 0 "[ . 1 . 2]" 2
1145 1 31 VAL QG 1 32 GLN H . . 3.470 3.106 2.898 3.247 . 0 0 "[ . 1 . 2]" 2
1146 1 31 VAL QG 1 32 GLN HA . . 4.280 3.310 3.067 3.511 . 0 0 "[ . 1 . 2]" 2
1147 1 31 VAL QG 1 32 GLN QG . . 4.620 3.597 3.304 4.722 0.102 17 0 "[ . 1 . 2]" 2
1148 1 31 VAL QG 1 32 GLN QE . . 5.270 4.671 3.392 5.203 . 0 0 "[ . 1 . 2]" 2
1149 1 31 VAL QG 1 34 GLN H . . 5.000 4.063 3.966 4.220 . 0 0 "[ . 1 . 2]" 2
1150 1 31 VAL QG 1 34 GLN HB2 . . 4.900 3.407 3.152 3.603 . 0 0 "[ . 1 . 2]" 2
1151 1 31 VAL QG 1 34 GLN HG3 . . 5.440 4.017 3.775 4.405 . 0 0 "[ . 1 . 2]" 2
1152 1 31 VAL QG 1 34 GLN HE22 . . 4.740 3.974 3.562 4.558 . 0 0 "[ . 1 . 2]" 2
1153 1 31 VAL QG 1 35 ARG QD . . 5.190 3.705 2.664 5.090 . 0 0 "[ . 1 . 2]" 2
1154 1 32 GLN H 1 32 GLN QG . . 3.510 2.385 2.062 2.872 . 0 0 "[ . 1 . 2]" 2
1155 1 32 GLN H 1 35 ARG QG . . 4.960 4.617 4.312 4.970 0.010 19 0 "[ . 1 . 2]" 2
1156 1 32 GLN HA 1 32 GLN QG . . 3.610 2.559 2.227 3.406 . 0 0 "[ . 1 . 2]" 2
1157 1 32 GLN HA 1 35 ARG QG . . 3.850 2.479 2.070 3.075 . 0 0 "[ . 1 . 2]" 2
1158 1 32 GLN QG 1 33 HIS H . . 4.990 4.010 2.085 4.358 . 0 0 "[ . 1 . 2]" 2
1159 1 33 HIS H 1 35 ARG QG . . 5.100 4.458 3.937 5.105 0.005 12 0 "[ . 1 . 2]" 2
1160 1 34 GLN H 1 35 ARG QG . . 4.370 3.513 3.145 4.090 . 0 0 "[ . 1 . 2]" 2
1161 1 34 GLN HA 1 35 ARG QG . . 5.340 5.029 4.888 5.223 . 0 0 "[ . 1 . 2]" 2
1162 1 35 ARG H 1 35 ARG QB . . 3.270 2.556 2.386 2.805 . 0 0 "[ . 1 . 2]" 2
1163 1 35 ARG QB 1 36 VAL H . . 4.110 3.249 2.337 3.794 . 0 0 "[ . 1 . 2]" 2
1164 1 35 ARG QB 1 38 THR MG . . 5.030 3.591 2.936 4.024 . 0 0 "[ . 1 . 2]" 2
1165 1 35 ARG QG 1 36 VAL H . . 4.460 2.963 1.896 4.242 . 0 0 "[ . 1 . 2]" 2
1166 1 38 THR MG 1 39 GLY QA . . 5.320 3.808 2.938 5.109 . 0 0 "[ . 1 . 2]" 2
1167 1 39 GLY QA 1 40 GLU QB . . 4.710 4.181 3.815 4.610 . 0 0 "[ . 1 . 2]" 2
1168 1 40 GLU HA 1 40 GLU QG . . 3.640 2.583 2.210 3.430 . 0 0 "[ . 1 . 2]" 2
1169 1 40 GLU QB 1 41 LYS QG . . 4.680 3.378 2.123 4.481 . 0 0 "[ . 1 . 2]" 2
1170 1 41 LYS HA 1 41 LYS QG . . 3.510 2.767 2.555 3.336 . 0 0 "[ . 1 . 2]" 2
1171 1 41 LYS HA 1 42 PRO QG . . 5.100 3.965 3.812 4.107 . 0 0 "[ . 1 . 2]" 2
1172 1 41 LYS QB 1 41 LYS QE . . 3.400 1.969 1.833 2.862 . 0 0 "[ . 1 . 2]" 2
1173 1 41 LYS QB 1 42 PRO HD2 . . 4.220 4.014 3.717 4.164 . 0 0 "[ . 1 . 2]" 2
1174 1 41 LYS QB 1 42 PRO HD3 . . 4.630 4.454 4.393 4.486 . 0 0 "[ . 1 . 2]" 2
1175 1 41 LYS QB 1 43 TYR H . . 4.210 3.969 3.543 4.246 0.036 15 0 "[ . 1 . 2]" 2
1176 1 41 LYS QB 1 51 ALA MB . . 3.380 1.948 1.748 2.278 . 0 0 "[ . 1 . 2]" 2
1177 1 41 LYS QB 1 52 PHE H . . 3.660 2.603 2.378 2.866 . 0 0 "[ . 1 . 2]" 2
1178 1 41 LYS QE 1 41 LYS QG . . 3.460 2.421 2.150 2.933 . 0 0 "[ . 1 . 2]" 2
1179 1 41 LYS QG 1 52 PHE HA . . 5.050 3.749 3.219 5.084 0.034 4 0 "[ . 1 . 2]" 2
1180 1 41 LYS QG 1 53 SER HA . . 4.640 3.111 2.327 4.323 . 0 0 "[ . 1 . 2]" 2
1181 1 41 LYS QG 1 53 SER QB . . 4.390 3.284 2.144 4.408 0.018 14 0 "[ . 1 . 2]" 2
1182 1 42 PRO QB 1 43 TYR H . . 3.760 3.351 3.131 3.567 . 0 0 "[ . 1 . 2]" 2
1183 1 42 PRO QB 1 43 TYR QD . . 4.960 4.211 3.083 4.420 . 0 0 "[ . 1 . 2]" 2
1184 1 42 PRO QB 1 43 TYR QE . . 5.090 4.413 3.565 4.732 . 0 0 "[ . 1 . 2]" 2
1185 1 42 PRO QG 1 43 TYR H . . 3.720 2.587 2.251 2.953 . 0 0 "[ . 1 . 2]" 2
1186 1 42 PRO QG 1 43 TYR QD . . 4.510 2.936 2.513 3.242 . 0 0 "[ . 1 . 2]" 2
1187 1 42 PRO QG 1 43 TYR QE . . 3.900 2.887 2.247 3.221 . 0 0 "[ . 1 . 2]" 2
1188 1 43 TYR HA 1 44 LYS QB . . 4.640 4.135 4.088 4.182 . 0 0 "[ . 1 . 2]" 2
1189 1 43 TYR HB3 1 55 ASN QD . . 5.340 3.890 3.228 4.852 . 0 0 "[ . 1 . 2]" 2
1190 1 43 TYR QD 1 55 ASN QB . . 4.480 3.168 2.565 3.999 . 0 0 "[ . 1 . 2]" 2
1191 1 43 TYR QE 1 55 ASN QB . . 3.770 2.858 2.434 3.428 . 0 0 "[ . 1 . 2]" 2
1192 1 44 LYS H 1 44 LYS QB . . 3.090 2.432 2.364 2.493 . 0 0 "[ . 1 . 2]" 2
1193 1 44 LYS QB 1 45 CYS H . . 3.810 3.410 3.302 3.558 . 0 0 "[ . 1 . 2]" 2
1194 1 44 LYS QB 1 46 LEU QD . . 4.540 4.076 3.082 4.544 0.004 9 0 "[ . 1 . 2]" 2
1195 1 44 LYS QB 1 51 ALA HA . . 4.580 3.696 3.305 4.062 . 0 0 "[ . 1 . 2]" 2
1196 1 44 LYS QE 1 46 LEU QD . . 4.650 4.049 2.800 4.652 0.002 5 0 "[ . 1 . 2]" 2
1197 1 45 CYS H 1 50 LYS QB . . 4.950 3.636 3.504 3.775 . 0 0 "[ . 1 . 2]" 2
1198 1 45 CYS HA 1 46 LEU QB . . 4.790 4.266 4.058 4.658 . 0 0 "[ . 1 . 2]" 2
1199 1 45 CYS HA 1 62 GLN QE . . 4.280 2.826 1.911 4.183 . 0 0 "[ . 1 . 2]" 2
1200 1 45 CYS HB3 1 50 LYS QB . . 4.130 2.921 2.297 3.281 . 0 0 "[ . 1 . 2]" 2
1201 1 46 LEU H 1 46 LEU QB . . 3.200 2.404 2.151 3.019 . 0 0 "[ . 1 . 2]" 2
1202 1 46 LEU H 1 46 LEU QD . . 4.220 3.295 2.101 3.762 . 0 0 "[ . 1 . 2]" 2
1203 1 46 LEU H 1 47 GLU QB . . 5.180 3.913 3.623 4.732 . 0 0 "[ . 1 . 2]" 2
1204 1 46 LEU H 1 62 GLN QG . . 5.280 3.804 3.290 4.427 . 0 0 "[ . 1 . 2]" 2
1205 1 46 LEU HA 1 46 LEU QD . . 3.030 2.427 1.984 3.054 0.024 4 0 "[ . 1 . 2]" 2
1206 1 46 LEU QB 1 46 LEU QD . . 2.750 1.852 1.728 1.922 . 0 0 "[ . 1 . 2]" 2
1207 1 46 LEU QB 1 47 GLU H . . 3.560 3.211 2.856 3.609 0.049 17 0 "[ . 1 . 2]" 2
1208 1 47 GLU H 1 47 GLU QB . . 3.040 2.289 2.149 2.600 . 0 0 "[ . 1 . 2]" 2
1209 1 47 GLU H 1 47 GLU QG . . 4.160 3.683 1.881 4.165 0.005 17 0 "[ . 1 . 2]" 2
1210 1 47 GLU H 1 62 GLN QG . . 5.340 3.800 3.344 4.250 . 0 0 "[ . 1 . 2]" 2
1211 1 47 GLU HA 1 47 GLU QG . . 3.570 2.607 2.188 3.021 . 0 0 "[ . 1 . 2]" 2
1212 1 47 GLU QB 1 48 CYS H . . 3.290 2.343 1.981 2.603 . 0 0 "[ . 1 . 2]" 2
1213 1 47 GLU QB 1 48 CYS QB . . 4.620 3.387 3.295 3.539 . 0 0 "[ . 1 . 2]" 2
1214 1 47 GLU QB 1 49 GLY H . . 4.560 4.086 3.921 4.214 . 0 0 "[ . 1 . 2]" 2
1215 1 47 GLU QG 1 48 CYS H . . 4.250 3.912 3.219 4.265 0.015 19 0 "[ . 1 . 2]" 2
1216 1 47 GLU QG 1 48 CYS QB . . 5.180 4.253 3.174 5.189 0.009 13 0 "[ . 1 . 2]" 2
1217 1 47 GLU QG 1 65 HIS QB . . 4.310 2.098 1.840 2.863 . 0 0 "[ . 1 . 2]" 2
1218 1 48 CYS H 1 48 CYS QB . . 3.440 2.856 2.700 2.996 . 0 0 "[ . 1 . 2]" 2
1219 1 48 CYS QB 1 49 GLY H . . 4.280 3.350 3.314 3.391 . 0 0 "[ . 1 . 2]" 2
1220 1 49 GLY H 1 50 LYS QB . . 4.840 3.746 3.613 3.869 . 0 0 "[ . 1 . 2]" 2
1221 1 50 LYS H 1 50 LYS QB . . 3.150 2.855 2.639 2.943 . 0 0 "[ . 1 . 2]" 2
1222 1 50 LYS H 1 50 LYS QG . . 4.480 4.156 3.513 4.383 . 0 0 "[ . 1 . 2]" 2
1223 1 50 LYS HA 1 50 LYS QG . . 3.660 2.445 2.135 2.866 . 0 0 "[ . 1 . 2]" 2
1224 1 50 LYS QB 1 51 ALA H . . 3.660 3.306 2.053 3.689 0.029 20 0 "[ . 1 . 2]" 2
1225 1 50 LYS QB 1 52 PHE QE . . 4.010 2.114 1.986 2.327 . 0 0 "[ . 1 . 2]" 2
1226 1 50 LYS QB 1 52 PHE HZ . . 4.030 2.334 2.028 2.533 . 0 0 "[ . 1 . 2]" 2
1227 1 50 LYS QG 1 52 PHE QE . . 4.780 3.156 2.547 4.236 . 0 0 "[ . 1 . 2]" 2
1228 1 50 LYS QG 1 52 PHE HZ . . 4.760 2.761 2.019 3.919 . 0 0 "[ . 1 . 2]" 2
1229 1 53 SER QB 1 54 GLN QE . . 5.340 4.187 2.506 5.298 . 0 0 "[ . 1 . 2]" 2
1230 1 55 ASN HA 1 55 ASN QD . . 4.440 2.566 1.993 3.444 . 0 0 "[ . 1 . 2]" 2
1231 1 55 ASN QB 1 59 ILE MD . . 4.590 3.579 3.041 4.058 . 0 0 "[ . 1 . 2]" 2
1232 1 55 ASN QD 1 58 LEU H . . 4.810 4.348 3.870 4.821 0.011 2 0 "[ . 1 . 2]" 2
1233 1 55 ASN QD 1 58 LEU HG . . 5.340 3.988 3.485 4.807 . 0 0 "[ . 1 . 2]" 2
1234 1 55 ASN QD 1 58 LEU MD2 . . 4.700 2.514 1.973 3.544 . 0 0 "[ . 1 . 2]" 2
1235 1 55 ASN QD 1 59 ILE H . . 5.020 3.449 3.133 3.934 . 0 0 "[ . 1 . 2]" 2
1236 1 55 ASN QD 1 59 ILE MG . . 4.780 4.052 3.905 4.374 . 0 0 "[ . 1 . 2]" 2
1237 1 55 ASN QD 1 59 ILE QG . . 4.000 1.962 1.807 2.522 . 0 0 "[ . 1 . 2]" 2
1238 1 55 ASN QD 1 59 ILE MD . . 3.630 1.997 1.755 2.591 . 0 0 "[ . 1 . 2]" 2
1239 1 56 SER HA 1 59 ILE QG . . 4.270 3.600 3.455 3.695 . 0 0 "[ . 1 . 2]" 2
1240 1 57 GLY HA2 1 60 ASN QB . . 3.860 3.079 2.956 3.338 . 0 0 "[ . 1 . 2]" 2
1241 1 57 GLY HA3 1 60 ASN QB . . 5.200 4.527 4.385 4.720 . 0 0 "[ . 1 . 2]" 2
1242 1 58 LEU HB3 1 59 ILE QG . . 5.000 3.552 3.456 3.650 . 0 0 "[ . 1 . 2]" 2
1243 1 58 LEU HG 1 62 GLN QG . . 5.340 2.762 2.062 3.443 . 0 0 "[ . 1 . 2]" 2
1244 1 58 LEU HG 1 62 GLN QE . . 4.510 2.866 1.911 3.710 . 0 0 "[ . 1 . 2]" 2
1245 1 58 LEU MD1 1 62 GLN QG . . 4.030 2.369 1.980 2.772 . 0 0 "[ . 1 . 2]" 2
1246 1 58 LEU MD1 1 62 GLN QE . . 3.640 2.492 1.739 3.401 . 0 0 "[ . 1 . 2]" 2
1247 1 58 LEU MD2 1 62 GLN QE . . 4.440 2.682 2.107 3.228 . 0 0 "[ . 1 . 2]" 2
1248 1 59 ILE H 1 59 ILE QG . . 3.000 1.995 1.880 2.115 . 0 0 "[ . 1 . 2]" 2
1249 1 59 ILE H 1 60 ASN QB . . 4.990 4.533 4.393 4.655 . 0 0 "[ . 1 . 2]" 2
1250 1 59 ILE HA 1 62 GLN QG . . 4.260 3.326 2.689 3.790 . 0 0 "[ . 1 . 2]" 2
1251 1 59 ILE HA 1 62 GLN QE . . 5.340 3.843 2.007 4.863 . 0 0 "[ . 1 . 2]" 2
1252 1 59 ILE HB 1 60 ASN QB . . 4.720 3.957 3.820 4.133 . 0 0 "[ . 1 . 2]" 2
1253 1 59 ILE MG 1 60 ASN QB . . 4.760 4.228 4.067 4.566 . 0 0 "[ . 1 . 2]" 2
1254 1 59 ILE QG 1 60 ASN H . . 4.190 3.925 3.848 3.985 . 0 0 "[ . 1 . 2]" 2
1255 1 60 ASN H 1 60 ASN QB . . 2.880 2.215 2.162 2.254 . 0 0 "[ . 1 . 2]" 2
1256 1 60 ASN H 1 60 ASN QD . . 5.320 4.122 2.176 4.637 . 0 0 "[ . 1 . 2]" 2
1257 1 60 ASN HA 1 63 ARG QG . . 4.210 2.284 1.991 2.749 . 0 0 "[ . 1 . 2]" 2
1258 1 60 ASN QB 1 61 HIS H . . 3.770 2.991 2.825 3.163 . 0 0 "[ . 1 . 2]" 2
1259 1 60 ASN QB 1 63 ARG QG . . 5.180 4.055 3.855 4.228 . 0 0 "[ . 1 . 2]" 2
1260 1 60 ASN QD 1 61 HIS H . . 5.340 4.553 3.284 5.353 0.013 14 0 "[ . 1 . 2]" 2
1261 1 61 HIS H 1 63 ARG QG . . 5.340 4.464 4.206 4.571 . 0 0 "[ . 1 . 2]" 2
1262 1 61 HIS HA 1 64 ILE QG . . 5.340 3.723 3.070 3.914 . 0 0 "[ . 1 . 2]" 2
1263 1 61 HIS HD2 1 62 GLN QG . . 4.430 2.831 2.444 3.039 . 0 0 "[ . 1 . 2]" 2
1264 1 62 GLN H 1 62 GLN QG . . 3.740 2.907 2.685 3.257 . 0 0 "[ . 1 . 2]" 2
1265 1 62 GLN H 1 62 GLN QE . . 5.340 4.992 3.949 5.401 0.061 12 0 "[ . 1 . 2]" 2
1266 1 62 GLN H 1 63 ARG QG . . 4.780 3.725 3.565 3.851 . 0 0 "[ . 1 . 2]" 2
1267 1 62 GLN HA 1 62 GLN QG . . 3.460 2.308 2.125 2.414 . 0 0 "[ . 1 . 2]" 2
1268 1 62 GLN HA 1 62 GLN QE . . 5.160 4.633 4.371 4.819 . 0 0 "[ . 1 . 2]" 2
1269 1 62 GLN HA 1 64 ILE QG . . 5.150 3.598 3.492 3.761 . 0 0 "[ . 1 . 2]" 2
1270 1 62 GLN HA 1 65 HIS QB . . 4.520 3.963 3.185 4.252 . 0 0 "[ . 1 . 2]" 2
1271 1 62 GLN QG 1 63 ARG H . . 5.130 4.259 4.108 4.480 . 0 0 "[ . 1 . 2]" 2
1272 1 62 GLN QG 1 65 HIS HD2 . . 4.530 3.232 2.816 3.478 . 0 0 "[ . 1 . 2]" 2
1273 1 62 GLN QG 1 66 THR MG . . 5.340 5.170 4.958 5.336 . 0 0 "[ . 1 . 2]" 2
1274 1 63 ARG H 1 63 ARG QG . . 3.130 2.431 2.268 2.546 . 0 0 "[ . 1 . 2]" 2
1275 1 63 ARG QG 1 64 ILE H . . 3.130 2.328 2.115 2.620 . 0 0 "[ . 1 . 2]" 2
1276 1 63 ARG QG 1 64 ILE MG . . 4.600 2.297 2.020 2.406 . 0 0 "[ . 1 . 2]" 2
1277 1 63 ARG QG 1 65 HIS H . . 5.340 4.511 4.305 4.657 . 0 0 "[ . 1 . 2]" 2
1278 1 64 ILE H 1 64 ILE QG . . 3.360 2.581 2.387 2.694 . 0 0 "[ . 1 . 2]" 2
1279 1 64 ILE HA 1 64 ILE QG . . 3.380 3.274 3.250 3.398 0.018 10 0 "[ . 1 . 2]" 2
1280 1 64 ILE QG 1 64 ILE MG . . 3.300 2.271 1.965 2.320 . 0 0 "[ . 1 . 2]" 2
1281 1 64 ILE QG 1 65 HIS H . . 3.730 1.993 1.844 2.239 . 0 0 "[ . 1 . 2]" 2
1282 1 64 ILE QG 1 65 HIS HE1 . . 4.410 2.915 2.778 3.049 . 0 0 "[ . 1 . 2]" 2
1283 1 65 HIS H 1 65 HIS QB . . 3.110 2.676 2.605 2.723 . 0 0 "[ . 1 . 2]" 2
1284 1 65 HIS QB 1 65 HIS HD2 . . 3.410 2.627 2.624 2.633 . 0 0 "[ . 1 . 2]" 2
1285 1 65 HIS QB 1 66 THR H . . 4.380 2.304 2.001 3.762 . 0 0 "[ . 1 . 2]" 2
1286 1 65 HIS QB 1 66 THR MG . . 4.250 3.296 3.103 3.605 . 0 0 "[ . 1 . 2]" 2
1287 1 68 GLY QA 1 69 PRO QD . . 3.010 1.922 1.836 2.027 . 0 0 "[ . 1 . 2]" 2
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