NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506294 |
1x4k   |
11349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4k
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 28.805
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 8 CYS 0.082 0.008 20 0 "[ . 1 . 2]"
1 11 CYS 0.209 0.015 20 0 "[ . 1 . 2]"
1 30 HIS 0.054 0.011 8 0 "[ . 1 . 2]"
1 33 CYS 0.118 0.009 20 0 "[ . 1 . 2]"
1 36 CYS 0.419 0.025 11 0 "[ . 1 . 2]"
1 39 CYS 0.186 0.009 18 0 "[ . 1 . 2]"
1 57 CYS 0.177 0.010 17 0 "[ . 1 . 2]"
1 60 CYS 0.477 0.023 11 0 "[ . 1 . 2]"
2 1 ZN 0.362 0.015 20 0 "[ . 1 . 2]"
3 1 ZN 0.798 0.025 11 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 8 CYS SG 2 1 ZN ZN . 2.330 2.370 2.338 2.322 2.375 0.008 20 0 "[ . 1 . 2]" 1
2 1 11 CYS SG 2 1 ZN ZN . 2.330 2.370 2.324 2.315 2.330 0.015 20 0 "[ . 1 . 2]" 1
3 1 30 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.346 2.328 2.377 0.007 8 0 "[ . 1 . 2]" 1
4 1 33 CYS SG 2 1 ZN ZN . 2.330 2.370 2.327 2.321 2.334 0.009 20 0 "[ . 1 . 2]" 1
5 1 8 CYS CB 2 1 ZN ZN . 3.250 3.510 3.288 3.246 3.356 0.004 7 0 "[ . 1 . 2]" 1
6 1 11 CYS CB 2 1 ZN ZN . 3.250 3.510 3.477 3.347 3.521 0.011 1 0 "[ . 1 . 2]" 1
7 1 30 HIS CG 2 1 ZN ZN . 3.250 3.510 3.282 3.239 3.392 0.011 8 0 "[ . 1 . 2]" 1
8 1 33 CYS CB 2 1 ZN ZN . 3.250 3.510 3.427 3.332 3.509 . 0 0 "[ . 1 . 2]" 1
9 1 8 CYS SG 1 11 CYS SG . 3.200 4.000 3.805 3.597 4.001 0.001 5 0 "[ . 1 . 2]" 1
10 1 8 CYS SG 1 30 HIS ND1 . 3.200 4.000 3.492 3.199 3.793 0.001 15 0 "[ . 1 . 2]" 1
11 1 8 CYS SG 1 33 CYS SG . 3.200 4.000 3.935 3.773 4.006 0.006 5 0 "[ . 1 . 2]" 1
12 1 11 CYS SG 1 30 HIS ND1 . 3.200 4.000 3.570 3.339 3.696 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS SG 1 33 CYS SG . 3.200 4.000 3.966 3.857 4.005 0.005 8 0 "[ . 1 . 2]" 1
14 1 30 HIS ND1 1 33 CYS SG . 3.200 4.000 3.947 3.840 4.005 0.005 2 0 "[ . 1 . 2]" 1
15 1 36 CYS SG 3 1 ZN ZN . 2.330 2.370 2.374 2.356 2.381 0.011 16 0 "[ . 1 . 2]" 1
16 1 39 CYS SG 3 1 ZN ZN . 2.330 2.370 2.326 2.322 2.334 0.008 19 0 "[ . 1 . 2]" 1
17 1 57 CYS SG 3 1 ZN ZN . 2.330 2.370 2.324 2.320 2.327 0.010 17 0 "[ . 1 . 2]" 1
18 1 60 CYS SG 3 1 ZN ZN . 2.330 2.370 2.318 2.307 2.323 0.023 11 0 "[ . 1 . 2]" 1
19 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.238 3.225 3.245 0.025 11 0 "[ . 1 . 2]" 1
20 1 39 CYS CB 3 1 ZN ZN . 3.250 3.510 3.497 3.435 3.516 0.006 4 0 "[ . 1 . 2]" 1
21 1 57 CYS CB 3 1 ZN ZN . 3.250 3.510 3.407 3.364 3.449 . 0 0 "[ . 1 . 2]" 1
22 1 60 CYS CB 3 1 ZN ZN . 3.250 3.510 3.426 3.374 3.494 . 0 0 "[ . 1 . 2]" 1
23 1 36 CYS SG 1 39 CYS SG . 3.200 4.000 3.575 3.523 3.631 . 0 0 "[ . 1 . 2]" 1
24 1 36 CYS SG 1 57 CYS SG . 3.200 4.000 3.361 3.243 3.490 . 0 0 "[ . 1 . 2]" 1
25 1 36 CYS SG 1 60 CYS SG . 3.200 4.000 4.004 4.000 4.008 0.008 14 0 "[ . 1 . 2]" 1
26 1 39 CYS SG 1 57 CYS SG . 3.200 4.000 3.716 3.634 3.774 . 0 0 "[ . 1 . 2]" 1
27 1 39 CYS SG 1 60 CYS SG . 3.200 4.000 4.003 3.985 4.009 0.009 18 0 "[ . 1 . 2]" 1
28 1 57 CYS SG 1 60 CYS SG . 3.200 4.000 4.002 3.976 4.010 0.010 8 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 1337
_Distance_constraint_stats_list.Viol_count 671
_Distance_constraint_stats_list.Viol_total 223.507
_Distance_constraint_stats_list.Viol_max 0.229
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 6 SER 0.031 0.010 17 0 "[ . 1 . 2]"
1 7 GLY 0.018 0.012 6 0 "[ . 1 . 2]"
1 8 CYS 0.454 0.036 4 0 "[ . 1 . 2]"
1 9 GLN 0.789 0.063 14 0 "[ . 1 . 2]"
1 10 GLU 0.559 0.052 6 0 "[ . 1 . 2]"
1 11 CYS 0.189 0.025 16 0 "[ . 1 . 2]"
1 12 LYS 1.076 0.229 19 0 "[ . 1 . 2]"
1 13 LYS 0.216 0.025 20 0 "[ . 1 . 2]"
1 14 THR 0.163 0.025 15 0 "[ . 1 . 2]"
1 15 ILE 0.363 0.036 4 0 "[ . 1 . 2]"
1 16 MET 0.167 0.029 13 0 "[ . 1 . 2]"
1 17 PRO 0.045 0.029 13 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.298 0.074 7 0 "[ . 1 . 2]"
1 20 ARG 0.205 0.074 7 0 "[ . 1 . 2]"
1 21 LYS 0.189 0.082 11 0 "[ . 1 . 2]"
1 22 MET 0.125 0.026 8 0 "[ . 1 . 2]"
1 23 GLU 0.127 0.082 11 0 "[ . 1 . 2]"
1 24 TYR 0.130 0.032 4 0 "[ . 1 . 2]"
1 25 LYS 0.107 0.032 4 0 "[ . 1 . 2]"
1 26 GLY 0.011 0.011 14 0 "[ . 1 . 2]"
1 27 SER 0.088 0.028 8 0 "[ . 1 . 2]"
1 28 SER 0.183 0.049 14 0 "[ . 1 . 2]"
1 29 TRP 0.979 0.060 13 0 "[ . 1 . 2]"
1 30 HIS 0.102 0.019 11 0 "[ . 1 . 2]"
1 31 GLU 0.383 0.130 8 0 "[ . 1 . 2]"
1 32 THR 0.231 0.069 8 0 "[ . 1 . 2]"
1 33 CYS 0.459 0.070 9 0 "[ . 1 . 2]"
1 34 PHE 0.308 0.027 13 0 "[ . 1 . 2]"
1 35 ILE 1.380 0.070 9 0 "[ . 1 . 2]"
1 36 CYS 0.391 0.033 11 0 "[ . 1 . 2]"
1 37 HIS 0.006 0.004 5 0 "[ . 1 . 2]"
1 38 ARG 0.100 0.019 16 0 "[ . 1 . 2]"
1 39 CYS 0.080 0.013 7 0 "[ . 1 . 2]"
1 40 GLN 0.294 0.077 6 0 "[ . 1 . 2]"
1 41 GLN 0.072 0.013 7 0 "[ . 1 . 2]"
1 42 PRO 0.484 0.067 18 0 "[ . 1 . 2]"
1 43 ILE 0.454 0.097 9 0 "[ . 1 . 2]"
1 44 GLY 0.043 0.010 13 0 "[ . 1 . 2]"
1 45 THR 0.008 0.006 17 0 "[ . 1 . 2]"
1 46 LYS 0.849 0.171 15 0 "[ . 1 . 2]"
1 47 SER 0.140 0.047 18 0 "[ . 1 . 2]"
1 48 PHE 0.274 0.047 18 0 "[ . 1 . 2]"
1 49 ILE 0.211 0.044 15 0 "[ . 1 . 2]"
1 50 PRO 0.241 0.044 15 0 "[ . 1 . 2]"
1 51 LYS 0.149 0.036 11 0 "[ . 1 . 2]"
1 52 ASP 0.270 0.027 12 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.447 0.027 15 0 "[ . 1 . 2]"
1 55 ASN 0.028 0.012 11 0 "[ . 1 . 2]"
1 56 PHE 0.305 0.029 10 0 "[ . 1 . 2]"
1 57 CYS 0.621 0.033 11 0 "[ . 1 . 2]"
1 58 VAL 2.674 0.097 19 0 "[ . 1 . 2]"
1 59 PRO 2.025 0.097 19 0 "[ . 1 . 2]"
1 60 CYS 0.150 0.019 16 0 "[ . 1 . 2]"
1 61 TYR 0.175 0.023 12 0 "[ . 1 . 2]"
1 62 GLU 0.175 0.040 12 0 "[ . 1 . 2]"
1 63 LYS 0.199 0.046 19 0 "[ . 1 . 2]"
1 64 GLN 0.055 0.023 12 0 "[ . 1 . 2]"
1 65 HIS 0.126 0.056 12 0 "[ . 1 . 2]"
1 66 ALA 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 9 GLN H 1 10 GLU H . . 3.510 2.034 1.984 2.100 . 0 0 "[ . 1 . 2]" 2
2 1 9 GLN H 1 9 GLN HG2 . . 4.630 3.755 3.439 4.419 . 0 0 "[ . 1 . 2]" 2
3 1 9 GLN H 1 9 GLN HG3 . . 4.630 4.466 4.293 4.693 0.063 14 0 "[ . 1 . 2]" 2
4 1 9 GLN H 1 9 GLN HB3 . . 3.670 3.481 2.888 3.532 . 0 0 "[ . 1 . 2]" 2
5 1 9 GLN HB2 1 29 TRP HE1 . . 4.500 3.113 2.726 4.486 . 0 0 "[ . 1 . 2]" 2
6 1 9 GLN HB3 1 29 TRP HE1 . . 4.150 2.887 2.547 3.358 . 0 0 "[ . 1 . 2]" 2
7 1 16 MET H 1 16 MET ME . . 4.670 2.982 2.688 3.414 . 0 0 "[ . 1 . 2]" 2
8 1 16 MET H 1 16 MET HB2 . . 3.750 2.425 2.300 2.534 . 0 0 "[ . 1 . 2]" 2
9 1 37 HIS H 1 56 PHE QD . . 4.420 3.725 3.578 4.017 . 0 0 "[ . 1 . 2]" 2
10 1 36 CYS HA 1 37 HIS H . . 2.780 2.430 2.389 2.462 . 0 0 "[ . 1 . 2]" 2
11 1 37 HIS H 1 37 HIS HB2 . . 2.960 2.296 2.264 2.378 . 0 0 "[ . 1 . 2]" 2
12 1 7 GLY HA3 1 15 ILE H . . 4.430 3.876 3.592 4.202 . 0 0 "[ . 1 . 2]" 2
13 1 14 THR HA 1 15 ILE H . . 2.640 2.147 2.141 2.161 . 0 0 "[ . 1 . 2]" 2
14 1 15 ILE H 1 15 ILE HB . . 3.170 2.535 2.494 2.636 . 0 0 "[ . 1 . 2]" 2
15 1 14 THR MG 1 15 ILE H . . 2.930 2.814 2.618 2.951 0.021 5 0 "[ . 1 . 2]" 2
16 1 15 ILE H 1 15 ILE HG12 . . 3.800 3.542 3.356 3.665 . 0 0 "[ . 1 . 2]" 2
17 1 25 LYS H 1 25 LYS HG3 . . 4.580 3.725 2.983 4.411 . 0 0 "[ . 1 . 2]" 2
18 1 30 HIS HB3 1 31 GLU H . . 3.810 2.821 2.188 3.095 . 0 0 "[ . 1 . 2]" 2
19 1 31 GLU H 1 31 GLU HB3 . . 3.290 2.387 2.157 2.462 . 0 0 "[ . 1 . 2]" 2
20 1 21 LYS QB 1 31 GLU H . . 4.550 4.236 4.010 4.521 . 0 0 "[ . 1 . 2]" 2
21 1 21 LYS HA 1 31 GLU H . . 3.540 3.220 2.833 3.583 0.043 8 0 "[ . 1 . 2]" 2
22 1 35 ILE MG 1 43 ILE H . . 3.970 3.918 3.774 3.995 0.025 6 0 "[ . 1 . 2]" 2
23 1 43 ILE H 1 43 ILE HG12 . . 3.940 3.384 3.311 3.475 . 0 0 "[ . 1 . 2]" 2
24 1 51 LYS H 1 56 PHE QD . . 4.320 3.707 3.372 3.850 . 0 0 "[ . 1 . 2]" 2
25 1 51 LYS H 1 51 LYS HB3 . . 3.630 2.478 2.402 2.638 . 0 0 "[ . 1 . 2]" 2
26 1 51 LYS H 1 51 LYS HB2 . . 4.020 2.704 2.544 2.770 . 0 0 "[ . 1 . 2]" 2
27 1 50 PRO HB3 1 51 LYS H . . 4.440 4.146 4.105 4.160 . 0 0 "[ . 1 . 2]" 2
28 1 34 PHE H 1 35 ILE H . . 3.720 2.869 2.730 3.031 . 0 0 "[ . 1 . 2]" 2
29 1 29 TRP HB3 1 34 PHE H . . 4.480 3.335 3.152 3.490 . 0 0 "[ . 1 . 2]" 2
30 1 34 PHE H 1 34 PHE HB3 . . 3.530 2.629 2.560 2.681 . 0 0 "[ . 1 . 2]" 2
31 1 57 CYS H 1 60 CYS HB2 . . 3.490 2.277 2.192 2.360 . 0 0 "[ . 1 . 2]" 2
32 1 56 PHE HB3 1 57 CYS H . . 3.390 3.138 2.979 3.267 . 0 0 "[ . 1 . 2]" 2
33 1 56 PHE HB2 1 57 CYS H . . 4.230 4.137 4.008 4.222 . 0 0 "[ . 1 . 2]" 2
34 1 57 CYS H 1 57 CYS HB3 . . 3.750 3.558 3.546 3.575 . 0 0 "[ . 1 . 2]" 2
35 1 36 CYS HB2 1 57 CYS H . . 4.350 4.153 4.026 4.254 . 0 0 "[ . 1 . 2]" 2
36 1 48 PHE HB2 1 57 CYS H . . 4.750 4.421 4.182 4.584 . 0 0 "[ . 1 . 2]" 2
37 1 20 ARG QB 1 21 LYS H . . 3.540 3.136 2.593 3.551 0.011 11 0 "[ . 1 . 2]" 2
38 1 21 LYS H 1 21 LYS QB . . 3.830 2.809 2.502 3.031 . 0 0 "[ . 1 . 2]" 2
39 1 22 MET HB3 1 23 GLU H . . 4.320 3.664 2.577 3.815 . 0 0 "[ . 1 . 2]" 2
40 1 19 THR HA 1 20 ARG H . . 3.190 2.322 2.287 2.375 . 0 0 "[ . 1 . 2]" 2
41 1 20 ARG H 1 20 ARG QB . . 3.340 2.543 2.274 2.833 . 0 0 "[ . 1 . 2]" 2
42 1 20 ARG H 1 20 ARG HG2 . . 3.870 2.671 1.885 3.873 0.003 14 0 "[ . 1 . 2]" 2
43 1 20 ARG H 1 20 ARG HG3 . . 3.870 3.032 2.287 3.832 . 0 0 "[ . 1 . 2]" 2
44 1 23 GLU H 1 24 TYR H . . 4.480 4.377 4.129 4.431 . 0 0 "[ . 1 . 2]" 2
45 1 24 TYR H 1 27 SER H . . 4.170 3.931 3.632 4.150 . 0 0 "[ . 1 . 2]" 2
46 1 24 TYR H 1 29 TRP HE3 . . 3.630 3.211 2.938 3.367 . 0 0 "[ . 1 . 2]" 2
47 1 24 TYR H 1 29 TRP HZ3 . . 3.420 2.684 2.547 2.834 . 0 0 "[ . 1 . 2]" 2
48 1 23 GLU HA 1 24 TYR H . . 2.760 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 2
49 1 24 TYR H 1 27 SER HB2 . . 4.520 4.047 3.635 4.353 . 0 0 "[ . 1 . 2]" 2
50 1 24 TYR H 1 24 TYR HB3 . . 3.230 2.886 2.721 2.965 . 0 0 "[ . 1 . 2]" 2
51 1 23 GLU HG2 1 24 TYR H . . 4.310 4.185 3.960 4.302 . 0 0 "[ . 1 . 2]" 2
52 1 23 GLU HB3 1 24 TYR H . . 3.630 3.591 3.509 3.648 0.018 13 0 "[ . 1 . 2]" 2
53 1 23 GLU HB2 1 24 TYR H . . 4.630 4.446 4.417 4.488 . 0 0 "[ . 1 . 2]" 2
54 1 7 GLY HA2 1 8 CYS H . . 3.260 2.220 2.138 2.433 . 0 0 "[ . 1 . 2]" 2
55 1 7 GLY HA3 1 8 CYS H . . 3.260 3.025 2.701 3.266 0.006 17 0 "[ . 1 . 2]" 2
56 1 8 CYS H 1 8 CYS HB3 . . 3.230 2.404 2.309 2.520 . 0 0 "[ . 1 . 2]" 2
57 1 8 CYS H 1 15 ILE HG13 . . 3.910 2.243 1.895 2.509 . 0 0 "[ . 1 . 2]" 2
58 1 8 CYS H 1 15 ILE HG12 . . 4.640 3.694 3.367 3.973 . 0 0 "[ . 1 . 2]" 2
59 1 61 TYR H 1 62 GLU H . . 3.740 2.841 2.680 2.980 . 0 0 "[ . 1 . 2]" 2
60 1 60 CYS H 1 61 TYR H . . 3.660 2.483 2.320 2.576 . 0 0 "[ . 1 . 2]" 2
61 1 60 CYS HB2 1 61 TYR H . . 3.870 2.333 2.137 2.595 . 0 0 "[ . 1 . 2]" 2
62 1 56 PHE HB3 1 61 TYR H . . 4.110 2.705 2.406 3.072 . 0 0 "[ . 1 . 2]" 2
63 1 61 TYR H 1 61 TYR HB3 . . 3.810 2.676 2.608 2.739 . 0 0 "[ . 1 . 2]" 2
64 1 48 PHE QD 1 49 ILE H . . 4.140 3.322 2.943 3.552 . 0 0 "[ . 1 . 2]" 2
65 1 48 PHE HB3 1 49 ILE H . . 4.230 4.159 3.866 4.239 0.009 8 0 "[ . 1 . 2]" 2
66 1 49 ILE H 1 56 PHE H . . 4.450 4.007 3.714 4.166 . 0 0 "[ . 1 . 2]" 2
67 1 22 MET H 1 22 MET HB2 . . 3.450 2.506 2.394 2.592 . 0 0 "[ . 1 . 2]" 2
68 1 45 THR H 1 46 LYS H . . 4.070 2.898 1.800 3.833 . 0 0 "[ . 1 . 2]" 2
69 1 46 LYS H 1 46 LYS QB . . 3.330 2.790 2.255 3.240 . 0 0 "[ . 1 . 2]" 2
70 1 46 LYS H 1 46 LYS HG2 . . 3.980 2.810 2.275 4.020 0.040 17 0 "[ . 1 . 2]" 2
71 1 29 TRP H 1 29 TRP HE3 . . 3.460 3.001 2.821 3.172 . 0 0 "[ . 1 . 2]" 2
72 1 29 TRP H 1 29 TRP HZ3 . . 5.350 5.193 5.027 5.356 0.006 13 0 "[ . 1 . 2]" 2
73 1 28 SER HB2 1 29 TRP H . . 3.840 3.356 2.562 3.889 0.049 14 0 "[ . 1 . 2]" 2
74 1 29 TRP H 1 29 TRP HB2 . . 3.710 2.705 2.655 2.737 . 0 0 "[ . 1 . 2]" 2
75 1 22 MET HB3 1 29 TRP H . . 4.650 4.387 4.075 4.597 . 0 0 "[ . 1 . 2]" 2
76 1 38 ARG H 1 56 PHE QD . . 4.060 3.322 3.135 3.601 . 0 0 "[ . 1 . 2]" 2
77 1 38 ARG H 1 56 PHE QE . . 4.500 3.626 3.490 3.791 . 0 0 "[ . 1 . 2]" 2
78 1 38 ARG H 1 38 ARG HB3 . . 3.300 2.738 2.515 2.868 . 0 0 "[ . 1 . 2]" 2
79 1 38 ARG H 1 38 ARG HB2 . . 3.540 2.683 2.514 2.841 . 0 0 "[ . 1 . 2]" 2
80 1 38 ARG H 1 38 ARG QG . . 4.190 4.056 4.006 4.093 . 0 0 "[ . 1 . 2]" 2
81 1 57 CYS HA 1 58 VAL H . . 3.250 2.629 2.614 2.654 . 0 0 "[ . 1 . 2]" 2
82 1 57 CYS HB2 1 58 VAL H . . 3.440 2.837 2.788 2.882 . 0 0 "[ . 1 . 2]" 2
83 1 57 CYS HB3 1 58 VAL H . . 3.740 2.230 2.182 2.259 . 0 0 "[ . 1 . 2]" 2
84 1 58 VAL H 1 58 VAL HB . . 3.110 2.346 2.308 2.421 . 0 0 "[ . 1 . 2]" 2
85 1 58 VAL H 1 58 VAL MG1 . . 3.850 3.713 3.691 3.745 . 0 0 "[ . 1 . 2]" 2
86 1 58 VAL H 1 58 VAL MG2 . . 3.050 2.520 2.399 2.677 . 0 0 "[ . 1 . 2]" 2
87 1 8 CYS HB2 1 13 LYS H . . 3.850 3.599 3.488 3.727 . 0 0 "[ . 1 . 2]" 2
88 1 13 LYS H 1 13 LYS QE . . 5.230 4.638 3.818 5.212 . 0 0 "[ . 1 . 2]" 2
89 1 13 LYS H 1 13 LYS QB . . 2.920 2.502 2.396 2.614 . 0 0 "[ . 1 . 2]" 2
90 1 13 LYS H 1 13 LYS HG3 . . 4.100 3.775 3.134 4.038 . 0 0 "[ . 1 . 2]" 2
91 1 30 HIS H 1 30 HIS HB2 . . 3.330 2.290 2.216 2.363 . 0 0 "[ . 1 . 2]" 2
92 1 29 TRP HA 1 30 HIS H . . 3.030 2.155 2.142 2.184 . 0 0 "[ . 1 . 2]" 2
93 1 29 TRP HB3 1 30 HIS H . . 3.610 3.332 3.159 3.447 . 0 0 "[ . 1 . 2]" 2
94 1 30 HIS H 1 33 CYS HB3 . . 3.890 3.562 3.367 3.685 . 0 0 "[ . 1 . 2]" 2
95 1 30 HIS H 1 33 CYS HB2 . . 3.520 2.333 2.118 2.561 . 0 0 "[ . 1 . 2]" 2
96 1 10 GLU H 1 29 TRP HD1 . . 3.800 2.942 2.682 3.312 . 0 0 "[ . 1 . 2]" 2
97 1 10 GLU H 1 10 GLU HB2 . . 3.460 2.303 2.189 2.471 . 0 0 "[ . 1 . 2]" 2
98 1 10 GLU H 1 10 GLU HB3 . . 3.270 2.779 2.575 2.921 . 0 0 "[ . 1 . 2]" 2
99 1 10 GLU H 1 12 LYS H . . 4.140 3.462 3.405 3.537 . 0 0 "[ . 1 . 2]" 2
100 1 10 GLU H 1 33 CYS HB3 . . 4.300 3.705 3.574 3.835 . 0 0 "[ . 1 . 2]" 2
101 1 8 CYS HB2 1 10 GLU H . . 4.760 4.698 4.645 4.764 0.004 19 0 "[ . 1 . 2]" 2
102 1 38 ARG H 1 39 CYS H . . 3.060 2.370 2.245 2.472 . 0 0 "[ . 1 . 2]" 2
103 1 39 CYS H 1 40 GLN H . . 2.980 2.321 2.209 2.426 . 0 0 "[ . 1 . 2]" 2
104 1 39 CYS H 1 56 PHE QD . . 5.380 4.664 4.499 4.803 . 0 0 "[ . 1 . 2]" 2
105 1 39 CYS H 1 56 PHE QE . . 5.500 5.426 5.281 5.509 0.009 9 0 "[ . 1 . 2]" 2
106 1 39 CYS H 1 40 GLN HA . . 4.650 4.549 4.453 4.646 . 0 0 "[ . 1 . 2]" 2
107 1 36 CYS HB3 1 39 CYS H . . 3.350 2.676 2.535 2.820 . 0 0 "[ . 1 . 2]" 2
108 1 39 CYS H 1 39 CYS HB3 . . 3.250 2.798 2.732 2.885 . 0 0 "[ . 1 . 2]" 2
109 1 38 ARG HB3 1 39 CYS H . . 3.000 2.189 2.058 2.314 . 0 0 "[ . 1 . 2]" 2
110 1 38 ARG HB2 1 39 CYS H . . 4.070 3.487 3.339 3.683 . 0 0 "[ . 1 . 2]" 2
111 1 38 ARG QG 1 39 CYS H . . 3.870 3.621 3.256 3.866 . 0 0 "[ . 1 . 2]" 2
112 1 59 PRO HG2 1 60 CYS H . . 4.710 2.664 2.446 2.886 . 0 0 "[ . 1 . 2]" 2
113 1 53 ASN QB 1 54 GLN H . . 4.150 3.828 3.754 4.038 . 0 0 "[ . 1 . 2]" 2
114 1 52 ASP HB2 1 54 GLN H . . 4.370 4.377 4.319 4.397 0.027 12 0 "[ . 1 . 2]" 2
115 1 51 LYS H 1 54 GLN H . . 3.880 3.716 3.677 3.795 . 0 0 "[ . 1 . 2]" 2
116 1 57 CYS HB2 1 60 CYS H . . 3.840 2.589 2.462 2.747 . 0 0 "[ . 1 . 2]" 2
117 1 53 ASN H 1 54 GLN H . . 3.850 2.515 2.469 2.600 . 0 0 "[ . 1 . 2]" 2
118 1 51 LYS HB3 1 54 GLN H . . 3.340 2.469 2.322 2.561 . 0 0 "[ . 1 . 2]" 2
119 1 54 GLN H 1 54 GLN HB2 . . 3.810 2.948 2.906 3.006 . 0 0 "[ . 1 . 2]" 2
120 1 54 GLN H 1 54 GLN HG3 . . 4.300 3.242 3.088 3.427 . 0 0 "[ . 1 . 2]" 2
121 1 56 PHE H 1 56 PHE QD . . 4.150 3.107 2.957 3.464 . 0 0 "[ . 1 . 2]" 2
122 1 27 SER H 1 28 SER H . . 4.820 4.612 4.599 4.619 . 0 0 "[ . 1 . 2]" 2
123 1 24 TYR QD 1 27 SER H . . 5.250 4.998 4.379 5.236 . 0 0 "[ . 1 . 2]" 2
124 1 27 SER H 1 29 TRP HZ3 . . 4.450 3.583 3.402 3.897 . 0 0 "[ . 1 . 2]" 2
125 1 26 GLY H 1 27 SER H . . 3.610 3.157 3.016 3.338 . 0 0 "[ . 1 . 2]" 2
126 1 27 SER H 1 27 SER HB2 . . 3.100 2.462 2.293 2.599 . 0 0 "[ . 1 . 2]" 2
127 1 27 SER H 1 27 SER HB3 . . 3.710 3.603 3.561 3.623 . 0 0 "[ . 1 . 2]" 2
128 1 36 CYS HB3 1 41 GLN H . . 3.550 2.030 1.958 2.068 . 0 0 "[ . 1 . 2]" 2
129 1 39 CYS H 1 41 GLN H . . 4.480 4.037 3.903 4.160 . 0 0 "[ . 1 . 2]" 2
130 1 41 GLN H 1 42 PRO HD2 . . 4.990 4.833 4.828 4.838 . 0 0 "[ . 1 . 2]" 2
131 1 39 CYS HB3 1 41 GLN H . . 4.910 4.894 4.854 4.923 0.013 7 0 "[ . 1 . 2]" 2
132 1 63 LYS H 1 64 GLN H . . 3.550 2.774 2.494 2.920 . 0 0 "[ . 1 . 2]" 2
133 1 62 GLU HA 1 63 LYS H . . 3.550 3.531 3.478 3.550 . 0 0 "[ . 1 . 2]" 2
134 1 63 LYS H 1 63 LYS HG2 . . 4.060 3.605 2.287 3.955 . 0 0 "[ . 1 . 2]" 2
135 1 63 LYS H 1 63 LYS HG3 . . 4.060 2.736 2.130 3.851 . 0 0 "[ . 1 . 2]" 2
136 1 62 GLU H 1 63 LYS H . . 4.060 2.822 2.664 2.965 . 0 0 "[ . 1 . 2]" 2
137 1 34 PHE QD 1 35 ILE H . . 4.990 4.821 4.764 4.862 . 0 0 "[ . 1 . 2]" 2
138 1 34 PHE HA 1 35 ILE H . . 3.130 3.007 2.907 3.107 . 0 0 "[ . 1 . 2]" 2
139 1 34 PHE HB2 1 35 ILE H . . 4.530 4.490 4.424 4.538 0.008 18 0 "[ . 1 . 2]" 2
140 1 35 ILE H 1 35 ILE HB . . 4.030 3.608 3.602 3.615 . 0 0 "[ . 1 . 2]" 2
141 1 35 ILE H 1 35 ILE QG . . 2.910 1.841 1.778 1.884 . 0 0 "[ . 1 . 2]" 2
142 1 35 ILE H 1 35 ILE MD . . 3.460 3.386 3.287 3.450 . 0 0 "[ . 1 . 2]" 2
143 1 35 ILE H 1 35 ILE MG . . 3.520 2.419 2.247 2.540 . 0 0 "[ . 1 . 2]" 2
144 1 62 GLU HB2 1 63 LYS H . . 4.200 2.740 2.592 2.998 . 0 0 "[ . 1 . 2]" 2
145 1 33 CYS H 1 33 CYS HB2 . . 3.420 2.405 2.297 2.493 . 0 0 "[ . 1 . 2]" 2
146 1 32 THR H 1 33 CYS H . . 3.770 2.277 2.030 2.463 . 0 0 "[ . 1 . 2]" 2
147 1 30 HIS HB2 1 33 CYS H . . 3.280 2.627 2.421 3.280 0.000 8 0 "[ . 1 . 2]" 2
148 1 30 HIS HB3 1 33 CYS H . . 3.180 2.769 2.432 3.175 . 0 0 "[ . 1 . 2]" 2
149 1 63 LYS QB 1 64 GLN H . . 3.480 2.392 2.096 2.762 . 0 0 "[ . 1 . 2]" 2
150 1 30 HIS H 1 33 CYS H . . 4.580 4.106 3.836 4.391 . 0 0 "[ . 1 . 2]" 2
151 1 33 CYS H 1 33 CYS HB3 . . 3.680 3.596 3.560 3.652 . 0 0 "[ . 1 . 2]" 2
152 1 33 CYS H 1 34 PHE HB2 . . 5.500 4.764 4.249 5.158 . 0 0 "[ . 1 . 2]" 2
153 1 27 SER HA 1 28 SER H . . 3.020 2.368 2.281 2.395 . 0 0 "[ . 1 . 2]" 2
154 1 28 SER H 1 28 SER HB3 . . 4.010 3.553 2.914 3.826 . 0 0 "[ . 1 . 2]" 2
155 1 27 SER HB3 1 28 SER H . . 3.440 2.529 2.459 2.751 . 0 0 "[ . 1 . 2]" 2
156 1 11 CYS H 1 29 TRP HD1 . . 5.150 5.042 4.897 5.130 . 0 0 "[ . 1 . 2]" 2
157 1 11 CYS H 1 12 LYS HA . . 4.640 4.546 4.432 4.648 0.008 9 0 "[ . 1 . 2]" 2
158 1 11 CYS H 1 33 CYS HB3 . . 4.320 3.946 3.733 4.164 . 0 0 "[ . 1 . 2]" 2
159 1 11 CYS H 1 11 CYS HB2 . . 3.720 3.651 3.620 3.682 . 0 0 "[ . 1 . 2]" 2
160 1 11 CYS H 1 11 CYS HB3 . . 3.620 2.770 2.652 2.924 . 0 0 "[ . 1 . 2]" 2
161 1 10 GLU HB2 1 11 CYS H . . 3.660 3.358 3.227 3.550 . 0 0 "[ . 1 . 2]" 2
162 1 10 GLU HB3 1 11 CYS H . . 3.120 1.963 1.886 2.127 . 0 0 "[ . 1 . 2]" 2
163 1 8 CYS HB3 1 11 CYS H . . 3.860 3.791 3.438 3.885 0.025 16 0 "[ . 1 . 2]" 2
164 1 13 LYS HA 1 14 THR H . . 2.790 2.250 2.175 2.652 . 0 0 "[ . 1 . 2]" 2
165 1 14 THR H 1 14 THR HB . . 2.870 2.600 2.511 2.694 . 0 0 "[ . 1 . 2]" 2
166 1 13 LYS QB 1 14 THR H . . 3.040 2.820 1.962 3.044 0.004 16 0 "[ . 1 . 2]" 2
167 1 13 LYS QD 1 14 THR H . . 4.410 3.761 3.411 4.354 . 0 0 "[ . 1 . 2]" 2
168 1 14 THR H 1 14 THR MG . . 3.980 3.770 3.763 3.815 . 0 0 "[ . 1 . 2]" 2
169 1 36 CYS HB2 1 40 GLN H . . 4.100 3.874 3.720 4.022 . 0 0 "[ . 1 . 2]" 2
170 1 38 ARG H 1 40 GLN H . . 4.070 2.925 2.816 3.040 . 0 0 "[ . 1 . 2]" 2
171 1 40 GLN H 1 40 GLN HA . . 2.760 2.276 2.273 2.282 . 0 0 "[ . 1 . 2]" 2
172 1 36 CYS HB3 1 40 GLN H . . 3.910 2.120 1.964 2.263 . 0 0 "[ . 1 . 2]" 2
173 1 12 LYS H 1 12 LYS HA . . 2.830 2.281 2.273 2.308 . 0 0 "[ . 1 . 2]" 2
174 1 11 CYS HB2 1 12 LYS H . . 4.540 4.277 4.162 4.421 . 0 0 "[ . 1 . 2]" 2
175 1 10 GLU HB3 1 12 LYS H . . 4.700 4.077 3.960 4.251 . 0 0 "[ . 1 . 2]" 2
176 1 8 CYS HB3 1 12 LYS H . . 3.800 3.307 2.902 3.718 . 0 0 "[ . 1 . 2]" 2
177 1 53 ASN H 1 53 ASN QB . . 3.500 2.639 2.440 3.099 . 0 0 "[ . 1 . 2]" 2
178 1 52 ASP HB2 1 53 ASN H . . 3.970 2.270 2.222 2.298 . 0 0 "[ . 1 . 2]" 2
179 1 45 THR H 1 45 THR MG . . 4.130 3.005 2.787 3.161 . 0 0 "[ . 1 . 2]" 2
180 1 46 LYS HA 1 47 SER H . . 2.950 2.405 2.152 2.574 . 0 0 "[ . 1 . 2]" 2
181 1 46 LYS QB 1 47 SER H . . 3.290 2.511 2.062 3.286 . 0 0 "[ . 1 . 2]" 2
182 1 19 THR H 1 19 THR HB . . 3.460 2.865 2.428 3.472 0.012 15 0 "[ . 1 . 2]" 2
183 1 44 GLY H 1 45 THR H . . 4.660 4.316 3.971 4.496 . 0 0 "[ . 1 . 2]" 2
184 1 43 ILE HB 1 44 GLY H . . 4.100 2.155 1.984 2.379 . 0 0 "[ . 1 . 2]" 2
185 1 25 LYS HB2 1 26 GLY H . . 4.620 4.303 4.165 4.559 . 0 0 "[ . 1 . 2]" 2
186 1 25 LYS HA 1 26 GLY H . . 3.270 2.792 2.689 2.920 . 0 0 "[ . 1 . 2]" 2
187 1 30 HIS HB2 1 32 THR H . . 4.140 3.452 3.273 3.690 . 0 0 "[ . 1 . 2]" 2
188 1 30 HIS HB3 1 32 THR H . . 4.090 2.327 2.235 2.485 . 0 0 "[ . 1 . 2]" 2
189 1 31 GLU HB2 1 32 THR H . . 4.220 4.092 3.926 4.289 0.069 8 0 "[ . 1 . 2]" 2
190 1 37 HIS H 1 43 ILE MD . . 4.980 4.225 4.064 4.548 . 0 0 "[ . 1 . 2]" 2
191 1 37 HIS H 1 55 ASN HB2 . . 4.860 3.992 3.594 4.155 . 0 0 "[ . 1 . 2]" 2
192 1 36 CYS HB3 1 37 HIS H . . 4.700 3.369 3.264 3.467 . 0 0 "[ . 1 . 2]" 2
193 1 37 HIS H 1 37 HIS HD2 . . 5.500 3.227 2.977 3.446 . 0 0 "[ . 1 . 2]" 2
194 1 35 ILE QG 1 36 CYS H . . 4.490 4.008 3.847 4.198 . 0 0 "[ . 1 . 2]" 2
195 1 34 PHE HB3 1 35 ILE H . . 4.890 3.978 3.836 4.102 . 0 0 "[ . 1 . 2]" 2
196 1 35 ILE H 1 36 CYS H . . 4.710 4.605 4.564 4.640 . 0 0 "[ . 1 . 2]" 2
197 1 33 CYS H 1 34 PHE H . . 3.040 2.539 1.931 2.889 . 0 0 "[ . 1 . 2]" 2
198 1 19 THR MG 1 31 GLU H . . 4.400 4.092 3.823 4.370 . 0 0 "[ . 1 . 2]" 2
199 1 15 ILE HG12 1 30 HIS H . . 4.430 4.006 3.780 4.232 . 0 0 "[ . 1 . 2]" 2
200 1 21 LYS QB 1 29 TRP H . . 4.250 3.140 2.935 3.314 . 0 0 "[ . 1 . 2]" 2
201 1 22 MET H 1 29 TRP H . . 3.550 2.400 2.146 3.110 . 0 0 "[ . 1 . 2]" 2
202 1 9 GLN HB2 1 28 SER H . . 4.700 3.941 2.869 4.641 . 0 0 "[ . 1 . 2]" 2
203 1 15 ILE MD 1 28 SER H . . 4.940 4.217 3.880 4.600 . 0 0 "[ . 1 . 2]" 2
204 1 25 LYS HB3 1 26 GLY H . . 4.620 4.359 4.229 4.423 . 0 0 "[ . 1 . 2]" 2
205 1 25 LYS H 1 26 GLY H . . 4.510 2.719 2.655 2.893 . 0 0 "[ . 1 . 2]" 2
206 1 24 TYR HB2 1 25 LYS H . . 4.980 4.388 4.070 4.502 . 0 0 "[ . 1 . 2]" 2
207 1 24 TYR HB3 1 25 LYS H . . 5.330 4.188 3.770 4.372 . 0 0 "[ . 1 . 2]" 2
208 1 24 TYR H 1 25 LYS H . . 4.390 4.128 3.955 4.379 . 0 0 "[ . 1 . 2]" 2
209 1 24 TYR H 1 26 GLY H . . 4.280 4.108 3.834 4.291 0.011 14 0 "[ . 1 . 2]" 2
210 1 22 MET H 1 29 TRP HB2 . . 4.770 3.713 3.529 3.867 . 0 0 "[ . 1 . 2]" 2
211 1 22 MET H 1 29 TRP HB3 . . 5.500 4.535 4.291 4.703 . 0 0 "[ . 1 . 2]" 2
212 1 21 LYS H 1 22 MET H . . 4.720 4.483 4.407 4.550 . 0 0 "[ . 1 . 2]" 2
213 1 14 THR H 1 15 ILE H . . 4.510 4.430 4.330 4.506 . 0 0 "[ . 1 . 2]" 2
214 1 8 CYS H 1 15 ILE H . . 4.200 3.056 2.773 3.319 . 0 0 "[ . 1 . 2]" 2
215 1 8 CYS HB3 1 15 ILE H . . 4.930 4.852 4.609 4.952 0.022 5 0 "[ . 1 . 2]" 2
216 1 14 THR H 1 30 HIS HE1 . . 5.500 4.856 4.502 5.412 . 0 0 "[ . 1 . 2]" 2
217 1 11 CYS H 1 12 LYS H . . 3.160 2.373 2.278 2.590 . 0 0 "[ . 1 . 2]" 2
218 1 12 LYS H 1 13 LYS H . . 3.260 2.788 2.613 3.054 . 0 0 "[ . 1 . 2]" 2
219 1 10 GLU H 1 11 CYS H . . 3.080 2.991 2.836 3.060 . 0 0 "[ . 1 . 2]" 2
220 1 8 CYS HA 1 10 GLU H . . 4.480 4.216 4.137 4.294 . 0 0 "[ . 1 . 2]" 2
221 1 10 GLU H 1 10 GLU HG2 . . 4.720 4.443 4.305 4.599 . 0 0 "[ . 1 . 2]" 2
222 1 10 GLU H 1 29 TRP HE1 . . 4.740 3.393 3.228 3.615 . 0 0 "[ . 1 . 2]" 2
223 1 8 CYS HB2 1 9 GLN H . . 4.660 3.728 3.650 3.810 . 0 0 "[ . 1 . 2]" 2
224 1 8 CYS H 1 9 GLN H . . 4.910 4.610 4.573 4.646 . 0 0 "[ . 1 . 2]" 2
225 1 8 CYS H 1 15 ILE HB . . 5.050 4.415 4.066 4.692 . 0 0 "[ . 1 . 2]" 2
226 1 8 CYS H 1 12 LYS H . . 5.230 5.057 4.758 5.263 0.033 20 0 "[ . 1 . 2]" 2
227 1 49 ILE H 1 56 PHE HB2 . . 4.700 4.550 4.342 4.672 . 0 0 "[ . 1 . 2]" 2
228 1 56 PHE QD 1 57 CYS H . . 4.900 4.018 3.901 4.127 . 0 0 "[ . 1 . 2]" 2
229 1 57 CYS H 1 60 CYS H . . 5.320 3.948 3.881 4.007 . 0 0 "[ . 1 . 2]" 2
230 1 31 GLU H 1 32 THR H . . 4.130 2.751 2.374 2.952 . 0 0 "[ . 1 . 2]" 2
231 1 22 MET H 1 31 GLU H . . 5.090 4.886 4.558 5.092 0.002 13 0 "[ . 1 . 2]" 2
232 1 51 LYS H 1 51 LYS HG3 . . 5.230 4.395 4.345 4.479 . 0 0 "[ . 1 . 2]" 2
233 1 34 PHE H 1 34 PHE QD . . 4.660 4.199 4.174 4.215 . 0 0 "[ . 1 . 2]" 2
234 1 23 GLU H 1 29 TRP H . . 5.240 4.807 4.653 5.001 . 0 0 "[ . 1 . 2]" 2
235 1 28 SER H 1 29 TRP H . . 5.500 4.473 4.437 4.534 . 0 0 "[ . 1 . 2]" 2
236 1 38 ARG H 1 60 CYS HB3 . . 4.640 4.402 4.201 4.624 . 0 0 "[ . 1 . 2]" 2
237 1 8 CYS H 1 13 LYS H . . 3.630 3.339 3.128 3.620 . 0 0 "[ . 1 . 2]" 2
238 1 48 PHE QD 1 56 PHE H . . 4.490 3.208 2.807 3.473 . 0 0 "[ . 1 . 2]" 2
239 1 46 LYS HG3 1 47 SER H . . 4.700 3.621 2.971 4.713 0.013 11 0 "[ . 1 . 2]" 2
240 1 46 LYS HG2 1 47 SER H . . 4.700 4.361 3.882 4.687 . 0 0 "[ . 1 . 2]" 2
241 1 47 SER H 1 58 VAL MG2 . . 5.030 4.486 3.690 4.732 . 0 0 "[ . 1 . 2]" 2
242 1 43 ILE MD 1 57 CYS H . . 4.940 3.364 3.092 3.675 . 0 0 "[ . 1 . 2]" 2
243 1 45 THR H 1 46 LYS QB . . 5.180 3.836 3.569 4.174 . 0 0 "[ . 1 . 2]" 2
244 1 34 PHE QD 1 44 GLY H . . 4.700 2.854 2.517 3.137 . 0 0 "[ . 1 . 2]" 2
245 1 43 ILE H 1 44 GLY H . . 3.700 3.133 2.966 3.278 . 0 0 "[ . 1 . 2]" 2
246 1 43 ILE H 1 43 ILE MG . . 4.330 3.773 3.766 3.781 . 0 0 "[ . 1 . 2]" 2
247 1 39 CYS HB2 1 41 GLN H . . 4.120 4.103 4.046 4.126 0.006 1 0 "[ . 1 . 2]" 2
248 1 36 CYS H 1 41 GLN H . . 4.030 2.223 2.138 2.361 . 0 0 "[ . 1 . 2]" 2
249 1 35 ILE HB 1 40 GLN H . . 4.860 4.754 4.608 4.845 . 0 0 "[ . 1 . 2]" 2
250 1 36 CYS H 1 40 GLN H . . 4.120 3.964 3.778 4.119 . 0 0 "[ . 1 . 2]" 2
251 1 38 ARG H 1 38 ARG HD3 . . 5.500 5.190 4.947 5.436 . 0 0 "[ . 1 . 2]" 2
252 1 31 GLU HB3 1 32 THR H . . 4.500 3.997 3.168 4.137 . 0 0 "[ . 1 . 2]" 2
253 1 10 GLU HA 1 29 TRP HE1 . . 5.090 3.496 3.364 3.659 . 0 0 "[ . 1 . 2]" 2
254 1 15 ILE MG 1 19 THR H . . 5.150 4.542 4.161 4.869 . 0 0 "[ . 1 . 2]" 2
255 1 12 LYS H 1 12 LYS HG3 . . 4.510 4.087 3.193 4.466 . 0 0 "[ . 1 . 2]" 2
256 1 34 PHE H 1 34 PHE HB2 . . 3.470 2.531 2.485 2.604 . 0 0 "[ . 1 . 2]" 2
257 1 33 CYS HB2 1 34 PHE H . . 4.240 3.075 3.008 3.168 . 0 0 "[ . 1 . 2]" 2
258 1 46 LYS H 1 46 LYS HG3 . . 3.980 3.388 2.064 4.012 0.032 18 0 "[ . 1 . 2]" 2
259 1 46 LYS H 1 47 SER H . . 4.660 4.471 4.332 4.634 . 0 0 "[ . 1 . 2]" 2
260 1 58 VAL H 1 59 PRO HB3 . . 5.500 5.521 5.498 5.540 0.040 1 0 "[ . 1 . 2]" 2
261 1 13 LYS H 1 30 HIS HE1 . . 4.040 3.534 3.150 4.043 0.003 9 0 "[ . 1 . 2]" 2
262 1 8 CYS H 1 30 HIS HE1 . . 4.580 4.157 3.520 4.589 0.009 12 0 "[ . 1 . 2]" 2
263 1 8 CYS HB2 1 30 HIS HE1 . . 3.770 2.979 2.455 3.410 . 0 0 "[ . 1 . 2]" 2
264 1 13 LYS QB 1 30 HIS HE1 . . 2.890 2.116 1.970 2.334 . 0 0 "[ . 1 . 2]" 2
265 1 13 LYS QD 1 30 HIS HE1 . . 5.150 4.912 3.952 5.169 0.019 11 0 "[ . 1 . 2]" 2
266 1 24 TYR QD 1 25 LYS H . . 4.710 3.301 2.732 3.807 . 0 0 "[ . 1 . 2]" 2
267 1 24 TYR QD 1 48 PHE HZ . . 4.540 3.648 2.902 4.119 . 0 0 "[ . 1 . 2]" 2
268 1 24 TYR H 1 24 TYR QD . . 4.700 4.363 4.079 4.444 . 0 0 "[ . 1 . 2]" 2
269 1 24 TYR QD 1 25 LYS HB3 . . 4.820 3.763 2.706 4.487 . 0 0 "[ . 1 . 2]" 2
270 1 24 TYR QD 1 25 LYS HG3 . . 5.160 2.810 2.144 5.192 0.032 4 0 "[ . 1 . 2]" 2
271 1 61 TYR H 1 61 TYR QD . . 5.040 4.144 4.093 4.182 . 0 0 "[ . 1 . 2]" 2
272 1 61 TYR QD 1 62 GLU H . . 4.730 3.714 3.345 4.102 . 0 0 "[ . 1 . 2]" 2
273 1 56 PHE QD 1 61 TYR QD . . 3.810 3.000 2.824 3.278 . 0 0 "[ . 1 . 2]" 2
274 1 56 PHE HB3 1 61 TYR QD . . 4.010 3.404 3.098 3.683 . 0 0 "[ . 1 . 2]" 2
275 1 49 ILE HG12 1 61 TYR QD . . 4.670 2.525 2.284 2.876 . 0 0 "[ . 1 . 2]" 2
276 1 48 PHE H 1 48 PHE QD . . 3.950 2.604 2.028 2.795 . 0 0 "[ . 1 . 2]" 2
277 1 48 PHE HA 1 48 PHE QD . . 4.130 3.685 3.661 3.722 . 0 0 "[ . 1 . 2]" 2
278 1 47 SER HA 1 48 PHE QD . . 4.220 4.027 3.765 4.160 . 0 0 "[ . 1 . 2]" 2
279 1 48 PHE QD 1 55 ASN HB2 . . 4.620 4.565 4.475 4.632 0.012 11 0 "[ . 1 . 2]" 2
280 1 55 ASN H 1 56 PHE QE . . 4.220 3.905 3.711 4.051 . 0 0 "[ . 1 . 2]" 2
281 1 54 GLN HB2 1 56 PHE QE . . 3.260 2.083 2.004 2.156 . 0 0 "[ . 1 . 2]" 2
282 1 38 ARG HB2 1 56 PHE QD . . 3.330 2.090 1.996 2.366 . 0 0 "[ . 1 . 2]" 2
283 1 38 ARG HB2 1 56 PHE QE . . 3.800 2.530 2.223 2.706 . 0 0 "[ . 1 . 2]" 2
284 1 51 LYS HB2 1 56 PHE QD . . 3.530 2.122 1.997 2.352 . 0 0 "[ . 1 . 2]" 2
285 1 29 TRP HD1 1 34 PHE QD . . 4.940 4.173 3.873 4.442 . 0 0 "[ . 1 . 2]" 2
286 1 22 MET HB2 1 34 PHE QD . . 4.130 3.182 2.766 3.560 . 0 0 "[ . 1 . 2]" 2
287 1 34 PHE QD 1 43 ILE HB . . 3.880 2.955 2.612 3.181 . 0 0 "[ . 1 . 2]" 2
288 1 54 GLN HB2 1 56 PHE HZ . . 4.270 3.968 3.651 4.278 0.008 11 0 "[ . 1 . 2]" 2
289 1 54 GLN HB3 1 56 PHE HZ . . 4.390 3.510 3.248 3.802 . 0 0 "[ . 1 . 2]" 2
290 1 34 PHE HZ 1 48 PHE QE . . 4.040 2.367 1.991 2.897 . 0 0 "[ . 1 . 2]" 2
291 1 29 TRP HD1 1 30 HIS H . . 4.760 4.257 3.919 4.448 . 0 0 "[ . 1 . 2]" 2
292 1 29 TRP HA 1 29 TRP HD1 . . 4.090 3.338 3.191 3.496 . 0 0 "[ . 1 . 2]" 2
293 1 29 TRP HD1 1 34 PHE HA . . 4.200 3.751 3.355 4.052 . 0 0 "[ . 1 . 2]" 2
294 1 29 TRP HB3 1 29 TRP HD1 . . 3.570 2.629 2.590 2.670 . 0 0 "[ . 1 . 2]" 2
295 1 29 TRP HD1 1 33 CYS HB3 . . 3.810 2.708 2.577 2.829 . 0 0 "[ . 1 . 2]" 2
296 1 29 TRP HD1 1 33 CYS HB2 . . 4.020 3.673 3.544 3.831 . 0 0 "[ . 1 . 2]" 2
297 1 10 GLU HG2 1 29 TRP HD1 . . 4.760 3.908 3.385 4.459 . 0 0 "[ . 1 . 2]" 2
298 1 10 GLU HB2 1 29 TRP HD1 . . 3.310 2.020 1.975 2.160 . 0 0 "[ . 1 . 2]" 2
299 1 50 PRO HA 1 51 LYS H . . 3.010 2.155 2.151 2.157 . 0 0 "[ . 1 . 2]" 2
300 1 50 PRO HA 1 56 PHE H . . 4.200 3.346 3.146 3.451 . 0 0 "[ . 1 . 2]" 2
301 1 50 PRO HA 1 56 PHE QD . . 5.170 5.144 4.841 5.178 0.008 15 0 "[ . 1 . 2]" 2
302 1 48 PHE QE 1 50 PRO HA . . 4.280 2.477 2.240 2.832 . 0 0 "[ . 1 . 2]" 2
303 1 50 PRO HA 1 55 ASN HA . . 3.220 2.600 2.454 2.672 . 0 0 "[ . 1 . 2]" 2
304 1 28 SER HA 1 29 TRP H . . 3.010 2.341 2.291 2.452 . 0 0 "[ . 1 . 2]" 2
305 1 24 TYR H 1 28 SER HA . . 3.940 3.076 2.870 3.273 . 0 0 "[ . 1 . 2]" 2
306 1 28 SER HA 1 29 TRP HE3 . . 3.450 2.674 2.273 2.944 . 0 0 "[ . 1 . 2]" 2
307 1 28 SER HA 1 29 TRP HZ3 . . 4.130 3.813 3.302 4.093 . 0 0 "[ . 1 . 2]" 2
308 1 23 GLU HG2 1 28 SER HA . . 3.870 3.497 3.084 3.788 . 0 0 "[ . 1 . 2]" 2
309 1 15 ILE MD 1 28 SER HA . . 4.680 4.126 3.937 4.526 . 0 0 "[ . 1 . 2]" 2
310 1 8 CYS HA 1 29 TRP HA . . 3.390 3.232 3.033 3.385 . 0 0 "[ . 1 . 2]" 2
311 1 8 CYS HB3 1 29 TRP HA . . 4.990 4.943 4.754 5.001 0.011 16 0 "[ . 1 . 2]" 2
312 1 9 GLN H 1 29 TRP HA . . 3.690 2.839 2.750 2.919 . 0 0 "[ . 1 . 2]" 2
313 1 15 ILE MD 1 29 TRP HA . . 3.570 3.087 2.780 3.306 . 0 0 "[ . 1 . 2]" 2
314 1 56 PHE HA 1 57 CYS H . . 3.030 2.177 2.154 2.211 . 0 0 "[ . 1 . 2]" 2
315 1 38 ARG H 1 56 PHE HA . . 4.100 4.005 3.940 4.061 . 0 0 "[ . 1 . 2]" 2
316 1 37 HIS H 1 56 PHE HA . . 3.840 3.138 3.036 3.287 . 0 0 "[ . 1 . 2]" 2
317 1 56 PHE HA 1 56 PHE QD . . 3.600 2.899 2.798 3.012 . 0 0 "[ . 1 . 2]" 2
318 1 36 CYS HA 1 56 PHE HA . . 3.860 3.857 3.799 3.889 0.029 10 0 "[ . 1 . 2]" 2
319 1 56 PHE HA 1 61 TYR HB2 . . 4.700 4.549 4.212 4.710 0.010 10 0 "[ . 1 . 2]" 2
320 1 30 HIS HB3 1 30 HIS HD2 . . 3.890 3.009 2.868 3.150 . 0 0 "[ . 1 . 2]" 2
321 1 19 THR MG 1 30 HIS HD2 . . 3.730 2.741 2.219 3.316 . 0 0 "[ . 1 . 2]" 2
322 1 15 ILE HG12 1 30 HIS HD2 . . 4.480 3.340 3.039 3.555 . 0 0 "[ . 1 . 2]" 2
323 1 48 PHE HA 1 49 ILE H . . 3.250 2.260 2.209 2.419 . 0 0 "[ . 1 . 2]" 2
324 1 48 PHE HA 1 58 VAL H . . 4.380 3.135 2.835 3.346 . 0 0 "[ . 1 . 2]" 2
325 1 48 PHE HA 1 57 CYS HA . . 3.880 2.486 2.176 2.723 . 0 0 "[ . 1 . 2]" 2
326 1 48 PHE HA 1 58 VAL MG2 . . 3.600 2.889 2.795 3.094 . 0 0 "[ . 1 . 2]" 2
327 1 48 PHE HA 1 49 ILE MD . . 4.810 2.803 2.694 2.960 . 0 0 "[ . 1 . 2]" 2
328 1 23 GLU HA 1 29 TRP HZ3 . . 4.510 4.402 4.189 4.516 0.006 20 0 "[ . 1 . 2]" 2
329 1 23 GLU HA 1 24 TYR HB2 . . 5.300 4.500 4.419 4.798 . 0 0 "[ . 1 . 2]" 2
330 1 23 GLU HA 1 24 TYR HB3 . . 5.500 4.789 4.522 4.891 . 0 0 "[ . 1 . 2]" 2
331 1 23 GLU HA 1 23 GLU HG2 . . 3.230 2.338 2.216 2.463 . 0 0 "[ . 1 . 2]" 2
332 1 23 GLU HA 1 29 TRP H . . 4.360 3.941 3.628 4.089 . 0 0 "[ . 1 . 2]" 2
333 1 24 TYR QE 1 25 LYS QE . . 3.990 3.412 2.086 4.020 0.030 20 0 "[ . 1 . 2]" 2
334 1 56 PHE QD 1 61 TYR QE . . 4.200 4.038 3.771 4.207 0.007 11 0 "[ . 1 . 2]" 2
335 1 51 LYS HB3 1 61 TYR QE . . 5.200 5.048 4.874 5.204 0.004 10 0 "[ . 1 . 2]" 2
336 1 51 LYS HB2 1 61 TYR QE . . 3.750 3.383 3.196 3.670 . 0 0 "[ . 1 . 2]" 2
337 1 49 ILE HB 1 61 TYR QE . . 4.470 4.166 3.998 4.337 . 0 0 "[ . 1 . 2]" 2
338 1 49 ILE MG 1 61 TYR QE . . 3.600 2.424 2.339 2.686 . 0 0 "[ . 1 . 2]" 2
339 1 21 LYS HA 1 22 MET H . . 3.090 2.441 2.302 2.497 . 0 0 "[ . 1 . 2]" 2
340 1 21 LYS HA 1 21 LYS HG2 . . 4.170 3.706 3.651 3.883 . 0 0 "[ . 1 . 2]" 2
341 1 21 LYS HA 1 22 MET HG2 . . 4.440 3.689 3.498 3.988 . 0 0 "[ . 1 . 2]" 2
342 1 51 LYS H 1 55 ASN HA . . 3.970 2.162 2.084 2.263 . 0 0 "[ . 1 . 2]" 2
343 1 55 ASN HA 1 56 PHE H . . 3.080 2.164 2.142 2.269 . 0 0 "[ . 1 . 2]" 2
344 1 55 ASN HA 1 56 PHE QD . . 4.250 3.612 3.354 3.736 . 0 0 "[ . 1 . 2]" 2
345 1 48 PHE QD 1 55 ASN HA . . 4.080 3.855 3.738 3.983 . 0 0 "[ . 1 . 2]" 2
346 1 27 SER HB3 1 29 TRP HZ2 . . 4.620 4.013 3.766 4.222 . 0 0 "[ . 1 . 2]" 2
347 1 9 GLN HB3 1 29 TRP HZ2 . . 4.540 2.940 2.681 3.228 . 0 0 "[ . 1 . 2]" 2
348 1 15 ILE MD 1 29 TRP H . . 3.980 3.365 3.142 3.681 . 0 0 "[ . 1 . 2]" 2
349 1 15 ILE H 1 15 ILE MD . . 3.650 3.511 3.380 3.659 0.009 6 0 "[ . 1 . 2]" 2
350 1 9 GLN H 1 15 ILE MD . . 4.110 3.771 3.649 3.905 . 0 0 "[ . 1 . 2]" 2
351 1 8 CYS H 1 15 ILE MD . . 4.150 3.084 2.721 3.549 . 0 0 "[ . 1 . 2]" 2
352 1 15 ILE MD 1 30 HIS HA . . 4.250 3.182 2.739 3.627 . 0 0 "[ . 1 . 2]" 2
353 1 8 CYS HA 1 15 ILE MD . . 3.190 1.956 1.872 2.052 . 0 0 "[ . 1 . 2]" 2
354 1 15 ILE HA 1 15 ILE MD . . 4.020 3.869 3.831 3.915 . 0 0 "[ . 1 . 2]" 2
355 1 6 SER QB 1 15 ILE MD . . 4.230 3.298 2.756 3.696 . 0 0 "[ . 1 . 2]" 2
356 1 8 CYS HB2 1 15 ILE MD . . 2.950 2.198 1.973 2.436 . 0 0 "[ . 1 . 2]" 2
357 1 15 ILE MD 1 21 LYS QE . . 4.600 4.007 2.849 4.463 . 0 0 "[ . 1 . 2]" 2
358 1 8 CYS HB3 1 15 ILE MD . . 3.710 3.557 3.378 3.723 0.013 6 0 "[ . 1 . 2]" 2
359 1 15 ILE MD 1 21 LYS QB . . 3.370 2.225 1.938 2.490 . 0 0 "[ . 1 . 2]" 2
360 1 15 ILE HB 1 15 ILE MD . . 2.980 2.373 2.303 2.417 . 0 0 "[ . 1 . 2]" 2
361 1 15 ILE MD 1 15 ILE MG . . 2.900 2.077 1.933 2.226 . 0 0 "[ . 1 . 2]" 2
362 1 15 ILE MD 1 30 HIS H . . 3.800 3.037 2.716 3.304 . 0 0 "[ . 1 . 2]" 2
363 1 35 ILE MD 1 40 GLN H . . 4.190 3.973 3.881 4.115 . 0 0 "[ . 1 . 2]" 2
364 1 35 ILE MD 1 36 CYS H . . 4.600 3.070 2.906 3.308 . 0 0 "[ . 1 . 2]" 2
365 1 35 ILE MD 1 37 HIS HD2 . . 4.270 3.669 3.019 3.934 . 0 0 "[ . 1 . 2]" 2
366 1 35 ILE HA 1 35 ILE MD . . 3.930 3.688 3.631 3.787 . 0 0 "[ . 1 . 2]" 2
367 1 35 ILE MD 1 36 CYS HA . . 3.860 3.688 3.538 3.863 0.003 6 0 "[ . 1 . 2]" 2
368 1 35 ILE MD 1 40 GLN HA . . 3.070 2.096 1.967 2.259 . 0 0 "[ . 1 . 2]" 2
369 1 35 ILE MD 1 40 GLN HB3 . . 3.260 3.221 2.849 3.290 0.030 16 0 "[ . 1 . 2]" 2
370 1 35 ILE MD 1 40 GLN HG2 . . 4.320 3.828 3.600 4.345 0.025 6 0 "[ . 1 . 2]" 2
371 1 35 ILE HB 1 35 ILE MD . . 3.150 2.232 2.183 2.282 . 0 0 "[ . 1 . 2]" 2
372 1 49 ILE H 1 49 ILE MD . . 4.740 2.092 1.915 2.270 . 0 0 "[ . 1 . 2]" 2
373 1 49 ILE MD 1 61 TYR QD . . 3.710 2.757 2.479 3.069 . 0 0 "[ . 1 . 2]" 2
374 1 49 ILE MD 1 61 TYR QE . . 4.560 4.385 4.247 4.561 0.001 13 0 "[ . 1 . 2]" 2
375 1 49 ILE HA 1 49 ILE MD . . 3.890 3.250 3.034 3.329 . 0 0 "[ . 1 . 2]" 2
376 1 49 ILE MD 1 58 VAL HA . . 3.590 1.964 1.884 2.267 . 0 0 "[ . 1 . 2]" 2
377 1 49 ILE MD 1 61 TYR HB3 . . 3.760 2.128 1.975 2.557 . 0 0 "[ . 1 . 2]" 2
378 1 49 ILE MD 1 61 TYR HB2 . . 3.950 2.834 2.486 3.031 . 0 0 "[ . 1 . 2]" 2
379 1 49 ILE MD 1 58 VAL HB . . 5.170 4.109 3.972 4.467 . 0 0 "[ . 1 . 2]" 2
380 1 49 ILE MD 1 62 GLU HG3 . . 5.500 4.621 3.323 5.432 . 0 0 "[ . 1 . 2]" 2
381 1 49 ILE MD 1 58 VAL MG2 . . 2.930 2.069 1.915 2.356 . 0 0 "[ . 1 . 2]" 2
382 1 7 GLY HA2 1 15 ILE H . . 4.430 2.160 1.897 2.467 . 0 0 "[ . 1 . 2]" 2
383 1 7 GLY HA2 1 15 ILE MD . . 4.960 3.588 3.142 4.169 . 0 0 "[ . 1 . 2]" 2
384 1 7 GLY HA3 1 15 ILE HG13 . . 5.500 4.382 4.003 4.702 . 0 0 "[ . 1 . 2]" 2
385 1 7 GLY HA2 1 14 THR MG . . 4.900 3.615 3.366 3.873 . 0 0 "[ . 1 . 2]" 2
386 1 7 GLY HA2 1 15 ILE HG13 . . 5.500 2.927 2.612 3.173 . 0 0 "[ . 1 . 2]" 2
387 1 43 ILE H 1 43 ILE MD . . 4.500 3.320 3.133 3.440 . 0 0 "[ . 1 . 2]" 2
388 1 43 ILE MD 1 56 PHE H . . 5.180 3.848 3.399 4.017 . 0 0 "[ . 1 . 2]" 2
389 1 43 ILE MD 1 48 PHE QD . . 4.330 2.733 2.462 3.063 . 0 0 "[ . 1 . 2]" 2
390 1 35 ILE HA 1 43 ILE MD . . 4.850 4.189 3.955 4.445 . 0 0 "[ . 1 . 2]" 2
391 1 43 ILE MD 1 48 PHE HB3 . . 3.880 3.097 2.535 3.447 . 0 0 "[ . 1 . 2]" 2
392 1 43 ILE MD 1 48 PHE HB2 . . 3.610 2.321 2.143 2.681 . 0 0 "[ . 1 . 2]" 2
393 1 43 ILE HB 1 43 ILE MD . . 3.660 2.259 2.174 2.376 . 0 0 "[ . 1 . 2]" 2
394 1 34 PHE QD 1 43 ILE MD . . 4.800 3.569 3.306 3.906 . 0 0 "[ . 1 . 2]" 2
395 1 34 PHE QE 1 43 ILE MD . . 4.630 3.078 2.699 3.436 . 0 0 "[ . 1 . 2]" 2
396 1 43 ILE MD 1 48 PHE HA . . 4.520 4.272 4.047 4.516 . 0 0 "[ . 1 . 2]" 2
397 1 43 ILE MD 1 55 ASN HA . . 4.940 4.366 4.146 4.738 . 0 0 "[ . 1 . 2]" 2
398 1 43 ILE MD 1 57 CYS HA . . 4.650 3.121 2.812 3.374 . 0 0 "[ . 1 . 2]" 2
399 1 36 CYS HA 1 43 ILE MD . . 3.710 2.536 2.270 2.866 . 0 0 "[ . 1 . 2]" 2
400 1 43 ILE HA 1 43 ILE MD . . 4.500 3.873 3.856 3.889 . 0 0 "[ . 1 . 2]" 2
401 1 43 ILE MD 1 55 ASN HB3 . . 3.830 2.911 2.683 3.339 . 0 0 "[ . 1 . 2]" 2
402 1 43 ILE MD 1 43 ILE MG . . 3.220 2.292 2.086 2.389 . 0 0 "[ . 1 . 2]" 2
403 1 56 PHE H 1 56 PHE HB3 . . 4.090 3.847 3.802 3.944 . 0 0 "[ . 1 . 2]" 2
404 1 56 PHE HB2 1 61 TYR H . . 4.530 3.692 3.422 4.025 . 0 0 "[ . 1 . 2]" 2
405 1 56 PHE H 1 56 PHE HB2 . . 3.730 2.759 2.678 2.940 . 0 0 "[ . 1 . 2]" 2
406 1 56 PHE HB2 1 61 TYR QD . . 3.820 2.197 2.012 2.370 . 0 0 "[ . 1 . 2]" 2
407 1 38 ARG HD2 1 56 PHE QD . . 4.410 3.265 2.450 3.728 . 0 0 "[ . 1 . 2]" 2
408 1 38 ARG HB2 1 38 ARG HD2 . . 3.310 2.367 2.127 2.738 . 0 0 "[ . 1 . 2]" 2
409 1 38 ARG HD3 1 56 PHE QD . . 4.410 3.953 3.547 4.220 . 0 0 "[ . 1 . 2]" 2
410 1 38 ARG HD3 1 60 CYS HA . . 4.050 2.544 2.206 2.853 . 0 0 "[ . 1 . 2]" 2
411 1 38 ARG HB3 1 38 ARG HD3 . . 3.610 2.675 2.299 2.968 . 0 0 "[ . 1 . 2]" 2
412 1 38 ARG HB2 1 38 ARG HD3 . . 3.310 2.914 2.638 3.070 . 0 0 "[ . 1 . 2]" 2
413 1 12 LYS HE2 1 12 LYS HG3 . . 3.980 2.767 2.144 3.867 . 0 0 "[ . 1 . 2]" 2
414 1 12 LYS HE3 1 12 LYS HG2 . . 3.980 3.473 2.343 4.209 0.229 19 0 "[ . 1 . 2]" 2
415 1 13 LYS QE 1 14 THR H . . 5.500 4.387 2.600 5.525 0.025 15 0 "[ . 1 . 2]" 2
416 1 13 LYS QB 1 13 LYS QE . . 4.290 3.021 1.960 3.784 . 0 0 "[ . 1 . 2]" 2
417 1 13 LYS QE 1 13 LYS HG2 . . 3.570 2.581 2.070 3.442 . 0 0 "[ . 1 . 2]" 2
418 1 13 LYS QE 1 13 LYS HG3 . . 3.570 2.851 2.264 3.501 . 0 0 "[ . 1 . 2]" 2
419 1 51 LYS QE 1 61 TYR QE . . 4.890 2.963 1.843 4.100 . 0 0 "[ . 1 . 2]" 2
420 1 25 LYS QE 1 25 LYS HG2 . . 3.670 2.580 2.086 3.311 . 0 0 "[ . 1 . 2]" 2
421 1 51 LYS QE 1 56 PHE QD . . 4.930 3.935 2.527 4.943 0.013 13 0 "[ . 1 . 2]" 2
422 1 25 LYS QE 1 25 LYS HG3 . . 3.670 2.775 2.157 3.511 . 0 0 "[ . 1 . 2]" 2
423 1 21 LYS QE 1 23 GLU HG3 . . 3.940 2.851 2.180 4.022 0.082 11 0 "[ . 1 . 2]" 2
424 1 21 LYS QE 1 21 LYS HG3 . . 3.480 2.670 2.363 3.490 0.010 11 0 "[ . 1 . 2]" 2
425 1 21 LYS QB 1 21 LYS QE . . 3.680 3.544 2.406 3.675 . 0 0 "[ . 1 . 2]" 2
426 1 21 LYS QE 1 21 LYS HG2 . . 3.060 2.482 2.159 2.785 . 0 0 "[ . 1 . 2]" 2
427 1 46 LYS QB 1 46 LYS HE2 . . 4.610 3.248 2.015 4.148 . 0 0 "[ . 1 . 2]" 2
428 1 48 PHE HB2 1 57 CYS HA . . 4.590 2.318 2.153 2.436 . 0 0 "[ . 1 . 2]" 2
429 1 35 ILE HB 1 41 GLN H . . 4.240 3.249 3.181 3.355 . 0 0 "[ . 1 . 2]" 2
430 1 35 ILE HB 1 36 CYS H . . 3.460 2.139 1.909 2.406 . 0 0 "[ . 1 . 2]" 2
431 1 35 ILE HB 1 40 GLN HA . . 3.590 2.905 2.725 3.066 . 0 0 "[ . 1 . 2]" 2
432 1 35 ILE HB 1 36 CYS HB3 . . 4.540 4.307 4.244 4.372 . 0 0 "[ . 1 . 2]" 2
433 1 49 ILE H 1 49 ILE HB . . 3.470 2.483 2.438 2.526 . 0 0 "[ . 1 . 2]" 2
434 1 49 ILE HB 1 61 TYR QD . . 3.900 3.050 2.941 3.174 . 0 0 "[ . 1 . 2]" 2
435 1 49 ILE HB 1 61 TYR HB3 . . 3.660 2.853 2.656 3.053 . 0 0 "[ . 1 . 2]" 2
436 1 49 ILE HB 1 56 PHE HB2 . . 3.840 3.606 3.501 3.791 . 0 0 "[ . 1 . 2]" 2
437 1 49 ILE HB 1 61 TYR HB2 . . 3.920 2.287 2.178 2.407 . 0 0 "[ . 1 . 2]" 2
438 1 49 ILE HB 1 49 ILE MD . . 3.450 2.234 2.103 2.299 . 0 0 "[ . 1 . 2]" 2
439 1 49 ILE HB 1 58 VAL HA . . 4.450 4.363 4.235 4.473 0.023 18 0 "[ . 1 . 2]" 2
440 1 49 ILE HB 1 56 PHE HB3 . . 4.870 4.679 4.508 4.876 0.006 10 0 "[ . 1 . 2]" 2
441 1 24 TYR HB3 1 29 TRP HZ3 . . 3.400 2.444 2.011 2.734 . 0 0 "[ . 1 . 2]" 2
442 1 55 ASN H 1 55 ASN HB2 . . 3.950 2.989 2.919 3.080 . 0 0 "[ . 1 . 2]" 2
443 1 55 ASN HB2 1 56 PHE H . . 4.780 3.937 3.588 4.081 . 0 0 "[ . 1 . 2]" 2
444 1 43 ILE MD 1 55 ASN HB2 . . 3.850 2.985 2.787 3.167 . 0 0 "[ . 1 . 2]" 2
445 1 48 PHE HB2 1 55 ASN HB3 . . 5.000 4.868 4.715 4.971 . 0 0 "[ . 1 . 2]" 2
446 1 55 ASN HB3 1 56 PHE H . . 4.260 3.296 2.894 3.458 . 0 0 "[ . 1 . 2]" 2
447 1 48 PHE QD 1 55 ASN HB3 . . 3.650 3.104 2.956 3.200 . 0 0 "[ . 1 . 2]" 2
448 1 52 ASP HB3 1 53 ASN H . . 3.720 2.793 2.732 2.823 . 0 0 "[ . 1 . 2]" 2
449 1 61 TYR HB3 1 62 GLU H . . 4.330 2.466 2.246 2.816 . 0 0 "[ . 1 . 2]" 2
450 1 61 TYR HB2 1 62 GLU H . . 4.190 3.747 3.640 3.922 . 0 0 "[ . 1 . 2]" 2
451 1 56 PHE HB3 1 61 TYR HB2 . . 3.950 2.804 2.490 3.046 . 0 0 "[ . 1 . 2]" 2
452 1 61 TYR H 1 61 TYR HB2 . . 3.830 2.398 2.339 2.454 . 0 0 "[ . 1 . 2]" 2
453 1 19 THR HB 1 20 ARG H . . 3.960 3.937 3.841 4.034 0.074 7 0 "[ . 1 . 2]" 2
454 1 43 ILE H 1 43 ILE HB . . 3.790 2.641 2.594 2.695 . 0 0 "[ . 1 . 2]" 2
455 1 14 THR HB 1 15 ILE H . . 4.430 4.320 4.211 4.403 . 0 0 "[ . 1 . 2]" 2
456 1 14 THR HB 1 16 MET ME . . 4.160 2.993 2.673 3.319 . 0 0 "[ . 1 . 2]" 2
457 1 58 VAL HA 1 61 TYR H . . 4.240 3.924 3.661 4.109 . 0 0 "[ . 1 . 2]" 2
458 1 58 VAL HA 1 61 TYR HB3 . . 3.600 3.289 3.135 3.376 . 0 0 "[ . 1 . 2]" 2
459 1 58 VAL HA 1 61 TYR HB2 . . 4.370 4.164 3.966 4.376 0.006 14 0 "[ . 1 . 2]" 2
460 1 58 VAL HA 1 58 VAL MG1 . . 2.830 2.510 2.408 2.578 . 0 0 "[ . 1 . 2]" 2
461 1 29 TRP HB3 1 34 PHE HB3 . . 4.480 4.042 3.917 4.123 . 0 0 "[ . 1 . 2]" 2
462 1 22 MET HB2 1 34 PHE HB3 . . 4.540 3.932 3.637 4.184 . 0 0 "[ . 1 . 2]" 2
463 1 22 MET HG2 1 34 PHE HB3 . . 4.830 3.625 3.361 4.094 . 0 0 "[ . 1 . 2]" 2
464 1 29 TRP HD1 1 34 PHE HB2 . . 4.710 4.679 4.535 4.736 0.026 13 0 "[ . 1 . 2]" 2
465 1 22 MET HB2 1 34 PHE HB2 . . 4.080 2.848 2.569 2.971 . 0 0 "[ . 1 . 2]" 2
466 1 14 THR HA 1 15 ILE HB . . 4.850 4.660 4.615 4.755 . 0 0 "[ . 1 . 2]" 2
467 1 62 GLU H 1 62 GLU HG3 . . 4.510 3.517 2.578 4.042 . 0 0 "[ . 1 . 2]" 2
468 1 21 LYS HG3 1 23 GLU HG2 . . 4.750 3.569 3.041 4.152 . 0 0 "[ . 1 . 2]" 2
469 1 23 GLU H 1 23 GLU HG3 . . 4.240 2.954 2.751 3.435 . 0 0 "[ . 1 . 2]" 2
470 1 23 GLU H 1 23 GLU HG2 . . 4.630 3.846 3.576 4.125 . 0 0 "[ . 1 . 2]" 2
471 1 31 GLU HA 1 31 GLU HG3 . . 3.960 3.650 2.874 3.781 . 0 0 "[ . 1 . 2]" 2
472 1 22 MET H 1 23 GLU HG3 . . 5.500 5.149 4.887 5.446 . 0 0 "[ . 1 . 2]" 2
473 1 23 GLU HG3 1 24 TYR H . . 5.500 5.120 4.866 5.316 . 0 0 "[ . 1 . 2]" 2
474 1 23 GLU HG3 1 28 SER HA . . 4.680 4.406 3.766 4.668 . 0 0 "[ . 1 . 2]" 2
475 1 23 GLU HA 1 23 GLU HG3 . . 4.050 3.046 2.821 3.266 . 0 0 "[ . 1 . 2]" 2
476 1 21 LYS QB 1 22 MET H . . 3.320 2.425 2.293 2.735 . 0 0 "[ . 1 . 2]" 2
477 1 29 TRP H 1 29 TRP HB3 . . 4.010 3.773 3.739 3.796 . 0 0 "[ . 1 . 2]" 2
478 1 29 TRP HB3 1 29 TRP HE3 . . 4.180 4.148 4.113 4.183 0.003 14 0 "[ . 1 . 2]" 2
479 1 29 TRP HB3 1 34 PHE QD . . 4.060 2.777 2.537 3.204 . 0 0 "[ . 1 . 2]" 2
480 1 29 TRP HB3 1 34 PHE HB2 . . 3.720 2.372 2.243 2.461 . 0 0 "[ . 1 . 2]" 2
481 1 22 MET HB2 1 29 TRP HB3 . . 3.880 3.655 3.447 3.819 . 0 0 "[ . 1 . 2]" 2
482 1 29 TRP HB3 1 33 CYS HB2 . . 4.040 3.278 3.176 3.351 . 0 0 "[ . 1 . 2]" 2
483 1 29 TRP HB2 1 30 HIS H . . 4.480 4.344 4.270 4.404 . 0 0 "[ . 1 . 2]" 2
484 1 29 TRP HB2 1 29 TRP HE3 . . 3.980 2.635 2.567 2.723 . 0 0 "[ . 1 . 2]" 2
485 1 29 TRP HB2 1 34 PHE QD . . 4.280 2.266 1.999 2.767 . 0 0 "[ . 1 . 2]" 2
486 1 29 TRP HB2 1 34 PHE HB3 . . 4.490 4.461 4.293 4.517 0.027 13 0 "[ . 1 . 2]" 2
487 1 22 MET HB2 1 29 TRP HB2 . . 3.580 2.464 2.204 2.766 . 0 0 "[ . 1 . 2]" 2
488 1 51 LYS HB3 1 56 PHE QD . . 3.670 3.052 2.872 3.335 . 0 0 "[ . 1 . 2]" 2
489 1 51 LYS HB3 1 56 PHE QE . . 4.020 3.069 2.868 3.352 . 0 0 "[ . 1 . 2]" 2
490 1 51 LYS HB3 1 51 LYS QE . . 4.540 3.912 3.367 4.521 . 0 0 "[ . 1 . 2]" 2
491 1 28 SER H 1 28 SER HB2 . . 4.010 3.047 2.596 3.786 . 0 0 "[ . 1 . 2]" 2
492 1 6 SER QB 1 28 SER HB2 . . 4.810 3.775 3.240 4.194 . 0 0 "[ . 1 . 2]" 2
493 1 23 GLU HG2 1 28 SER HB2 . . 4.540 4.183 2.706 4.524 . 0 0 "[ . 1 . 2]" 2
494 1 15 ILE MD 1 28 SER HB2 . . 3.270 2.297 1.929 3.235 . 0 0 "[ . 1 . 2]" 2
495 1 6 SER QB 1 28 SER HB3 . . 4.810 3.843 2.660 4.455 . 0 0 "[ . 1 . 2]" 2
496 1 28 SER HB3 1 29 TRP H . . 3.840 3.032 2.511 3.845 0.005 10 0 "[ . 1 . 2]" 2
497 1 23 GLU HG2 1 28 SER HB3 . . 4.540 3.363 2.438 4.286 . 0 0 "[ . 1 . 2]" 2
498 1 21 LYS QB 1 28 SER HB3 . . 4.610 3.301 2.483 4.385 . 0 0 "[ . 1 . 2]" 2
499 1 15 ILE MD 1 28 SER HB3 . . 3.270 2.721 1.956 3.296 0.026 6 0 "[ . 1 . 2]" 2
500 1 59 PRO HA 1 62 GLU H . . 4.530 4.231 3.860 4.480 . 0 0 "[ . 1 . 2]" 2
501 1 59 PRO HA 1 62 GLU HB2 . . 3.380 3.165 2.900 3.333 . 0 0 "[ . 1 . 2]" 2
502 1 10 GLU HG2 1 11 CYS H . . 4.740 4.316 4.088 4.578 . 0 0 "[ . 1 . 2]" 2
503 1 10 GLU HG3 1 29 TRP HD1 . . 4.760 4.351 3.806 4.770 0.010 8 0 "[ . 1 . 2]" 2
504 1 10 GLU HG3 1 11 CYS H . . 4.740 3.991 3.596 4.592 . 0 0 "[ . 1 . 2]" 2
505 1 10 GLU HG3 1 33 CYS HA . . 4.740 3.721 2.789 4.599 . 0 0 "[ . 1 . 2]" 2
506 1 13 LYS QB 1 14 THR HB . . 4.520 4.459 4.183 4.526 0.006 19 0 "[ . 1 . 2]" 2
507 1 13 LYS QB 1 13 LYS QD . . 2.950 2.202 2.018 2.533 . 0 0 "[ . 1 . 2]" 2
508 1 35 ILE MD 1 40 GLN HG3 . . 4.320 3.619 2.529 4.344 0.024 16 0 "[ . 1 . 2]" 2
509 1 38 ARG HD2 1 60 CYS HA . . 4.050 3.694 3.019 4.051 0.001 12 0 "[ . 1 . 2]" 2
510 1 60 CYS HA 1 63 LYS QB . . 3.460 3.092 2.675 3.462 0.002 19 0 "[ . 1 . 2]" 2
511 1 60 CYS HA 1 63 LYS HD3 . . 4.640 3.856 2.199 4.639 . 0 0 "[ . 1 . 2]" 2
512 1 41 GLN HG2 1 42 PRO HD2 . . 5.500 3.801 3.134 4.663 . 0 0 "[ . 1 . 2]" 2
513 1 41 GLN HG3 1 42 PRO HD2 . . 5.500 4.363 4.076 4.690 . 0 0 "[ . 1 . 2]" 2
514 1 41 GLN HG3 1 42 PRO HD3 . . 5.500 5.349 4.987 5.504 0.004 20 0 "[ . 1 . 2]" 2
515 1 22 MET H 1 22 MET HB3 . . 3.830 3.692 3.615 3.745 . 0 0 "[ . 1 . 2]" 2
516 1 22 MET HB3 1 29 TRP HB2 . . 4.070 3.789 3.368 4.066 . 0 0 "[ . 1 . 2]" 2
517 1 22 MET HB3 1 34 PHE HB2 . . 4.220 4.137 3.788 4.226 0.006 14 0 "[ . 1 . 2]" 2
518 1 60 CYS HA 1 63 LYS H . . 4.380 3.632 3.396 3.755 . 0 0 "[ . 1 . 2]" 2
519 1 27 SER HB2 1 28 SER H . . 3.900 3.689 3.508 3.829 . 0 0 "[ . 1 . 2]" 2
520 1 27 SER HB2 1 29 TRP HZ2 . . 4.530 4.078 3.902 4.166 . 0 0 "[ . 1 . 2]" 2
521 1 27 SER HB2 1 29 TRP HH2 . . 3.560 2.061 1.995 2.246 . 0 0 "[ . 1 . 2]" 2
522 1 27 SER HB2 1 29 TRP HZ3 . . 3.780 2.127 1.995 2.353 . 0 0 "[ . 1 . 2]" 2
523 1 9 GLN HB2 1 27 SER HB2 . . 4.650 4.563 3.558 4.678 0.028 8 0 "[ . 1 . 2]" 2
524 1 9 GLN HG2 1 27 SER HB3 . . 3.840 2.294 1.986 3.249 . 0 0 "[ . 1 . 2]" 2
525 1 9 GLN HB2 1 27 SER HB3 . . 3.920 3.306 2.126 3.650 . 0 0 "[ . 1 . 2]" 2
526 1 9 GLN HB3 1 27 SER HB3 . . 4.420 4.135 3.493 4.418 . 0 0 "[ . 1 . 2]" 2
527 1 54 GLN H 1 54 GLN HG2 . . 4.300 4.143 3.925 4.291 . 0 0 "[ . 1 . 2]" 2
528 1 46 LYS QB 1 46 LYS HE3 . . 4.610 3.204 2.053 4.148 . 0 0 "[ . 1 . 2]" 2
529 1 23 GLU H 1 23 GLU HB2 . . 3.770 2.311 2.223 2.626 . 0 0 "[ . 1 . 2]" 2
530 1 9 GLN HA 1 9 GLN HG2 . . 3.780 2.955 2.167 3.625 . 0 0 "[ . 1 . 2]" 2
531 1 9 GLN HG3 1 27 SER HB3 . . 3.840 2.414 1.989 3.651 . 0 0 "[ . 1 . 2]" 2
532 1 63 LYS H 1 63 LYS QB . . 3.260 2.337 2.160 2.547 . 0 0 "[ . 1 . 2]" 2
533 1 16 MET HG3 1 17 PRO HD3 . . 5.490 5.365 5.161 5.493 0.003 9 0 "[ . 1 . 2]" 2
534 1 16 MET H 1 16 MET HG3 . . 4.270 3.634 3.510 3.827 . 0 0 "[ . 1 . 2]" 2
535 1 16 MET HA 1 16 MET HG3 . . 4.050 3.722 3.672 3.755 . 0 0 "[ . 1 . 2]" 2
536 1 14 THR MG 1 16 MET HG3 . . 5.490 5.347 5.294 5.415 . 0 0 "[ . 1 . 2]" 2
537 1 16 MET H 1 16 MET HG2 . . 3.980 2.331 2.114 2.593 . 0 0 "[ . 1 . 2]" 2
538 1 16 MET HA 1 16 MET HG2 . . 3.610 2.886 2.839 2.942 . 0 0 "[ . 1 . 2]" 2
539 1 15 ILE HA 1 16 MET HG2 . . 4.360 4.177 4.060 4.307 . 0 0 "[ . 1 . 2]" 2
540 1 16 MET HG2 1 17 PRO HD3 . . 5.500 4.974 4.898 5.069 . 0 0 "[ . 1 . 2]" 2
541 1 16 MET ME 1 16 MET HG2 . . 3.280 2.170 2.057 2.284 . 0 0 "[ . 1 . 2]" 2
542 1 50 PRO HB2 1 51 LYS H . . 4.440 3.743 3.686 3.762 . 0 0 "[ . 1 . 2]" 2
543 1 54 GLN HB3 1 55 ASN H . . 4.140 2.135 2.035 2.327 . 0 0 "[ . 1 . 2]" 2
544 1 6 SER QB 1 14 THR MG . . 4.850 4.758 4.329 4.860 0.010 17 0 "[ . 1 . 2]" 2
545 1 6 SER QB 1 15 ILE HB . . 4.080 3.047 2.205 3.665 . 0 0 "[ . 1 . 2]" 2
546 1 10 GLU HB2 1 29 TRP HE1 . . 4.020 3.397 3.228 3.538 . 0 0 "[ . 1 . 2]" 2
547 1 10 GLU HB3 1 29 TRP HE1 . . 5.190 4.964 4.803 5.098 . 0 0 "[ . 1 . 2]" 2
548 1 10 GLU HB3 1 29 TRP HD1 . . 3.830 3.594 3.374 3.733 . 0 0 "[ . 1 . 2]" 2
549 1 37 HIS HB2 1 54 GLN HB3 . . 3.710 3.155 3.039 3.262 . 0 0 "[ . 1 . 2]" 2
550 1 8 CYS H 1 14 THR HA . . 4.270 3.331 3.058 3.545 . 0 0 "[ . 1 . 2]" 2
551 1 10 GLU HB2 1 33 CYS HB3 . . 3.610 2.002 1.971 2.076 . 0 0 "[ . 1 . 2]" 2
552 1 10 GLU HB3 1 33 CYS HB3 . . 3.170 2.217 2.024 2.483 . 0 0 "[ . 1 . 2]" 2
553 1 10 GLU HG2 1 33 CYS HB3 . . 4.090 3.023 2.219 3.907 . 0 0 "[ . 1 . 2]" 2
554 1 30 HIS HB2 1 33 CYS HB2 . . 3.420 1.984 1.946 1.999 . 0 0 "[ . 1 . 2]" 2
555 1 47 SER HB2 1 48 PHE H . . 4.640 4.341 3.652 4.645 0.005 18 0 "[ . 1 . 2]" 2
556 1 39 CYS H 1 39 CYS HB2 . . 3.820 3.632 3.610 3.655 . 0 0 "[ . 1 . 2]" 2
557 1 39 CYS HA 1 39 CYS HB2 . . 3.000 2.478 2.461 2.497 . 0 0 "[ . 1 . 2]" 2
558 1 47 SER HB2 1 58 VAL MG2 . . 3.700 2.860 1.988 3.712 0.012 18 0 "[ . 1 . 2]" 2
559 1 6 SER QB 1 7 GLY H . . 4.130 2.651 1.884 3.881 . 0 0 "[ . 1 . 2]" 2
560 1 47 SER HB3 1 48 PHE H . . 4.640 3.992 3.448 4.489 . 0 0 "[ . 1 . 2]" 2
561 1 47 SER HB3 1 58 VAL MG2 . . 3.700 2.638 1.974 3.704 0.004 6 0 "[ . 1 . 2]" 2
562 1 42 PRO HB2 1 43 ILE H . . 4.330 4.216 4.166 4.251 . 0 0 "[ . 1 . 2]" 2
563 1 22 MET HG3 1 44 GLY H . . 4.710 4.519 4.100 4.720 0.010 18 0 "[ . 1 . 2]" 2
564 1 35 ILE MG 1 42 PRO HB3 . . 4.470 2.481 2.401 2.603 . 0 0 "[ . 1 . 2]" 2
565 1 42 PRO HA 1 44 GLY H . . 4.590 4.096 3.804 4.377 . 0 0 "[ . 1 . 2]" 2
566 1 42 PRO HA 1 43 ILE H . . 3.030 2.368 2.318 2.409 . 0 0 "[ . 1 . 2]" 2
567 1 36 CYS H 1 42 PRO HA . . 4.330 3.966 3.860 4.148 . 0 0 "[ . 1 . 2]" 2
568 1 42 PRO HA 1 43 ILE HB . . 4.850 4.596 4.558 4.642 . 0 0 "[ . 1 . 2]" 2
569 1 42 PRO HA 1 43 ILE HG13 . . 4.320 4.174 4.110 4.257 . 0 0 "[ . 1 . 2]" 2
570 1 32 THR HA 1 34 PHE H . . 4.680 3.848 3.609 4.207 . 0 0 "[ . 1 . 2]" 2
571 1 32 THR HA 1 42 PRO HB2 . . 4.480 3.659 3.059 4.287 . 0 0 "[ . 1 . 2]" 2
572 1 32 THR HA 1 32 THR MG . . 2.980 2.299 2.155 2.554 . 0 0 "[ . 1 . 2]" 2
573 1 8 CYS H 1 8 CYS HB2 . . 3.040 2.735 2.553 2.882 . 0 0 "[ . 1 . 2]" 2
574 1 8 CYS HB2 1 30 HIS H . . 4.480 3.232 3.050 3.451 . 0 0 "[ . 1 . 2]" 2
575 1 36 CYS HB3 1 40 GLN HA . . 3.520 3.118 3.077 3.193 . 0 0 "[ . 1 . 2]" 2
576 1 8 CYS HB2 1 15 ILE HG13 . . 3.880 2.400 2.198 2.532 . 0 0 "[ . 1 . 2]" 2
577 1 8 CYS HB2 1 15 ILE HG12 . . 3.920 2.282 2.160 2.403 . 0 0 "[ . 1 . 2]" 2
578 1 36 CYS HB3 1 57 CYS H . . 4.890 4.900 4.869 4.923 0.033 11 0 "[ . 1 . 2]" 2
579 1 36 CYS H 1 36 CYS HB3 . . 3.040 2.659 2.625 2.694 . 0 0 "[ . 1 . 2]" 2
580 1 36 CYS HB3 1 43 ILE HG13 . . 5.240 4.435 4.292 4.616 . 0 0 "[ . 1 . 2]" 2
581 1 35 ILE MD 1 36 CYS HB3 . . 5.140 4.140 4.052 4.284 . 0 0 "[ . 1 . 2]" 2
582 1 36 CYS HB2 1 39 CYS H . . 4.810 3.997 3.894 4.086 . 0 0 "[ . 1 . 2]" 2
583 1 36 CYS H 1 36 CYS HB2 . . 3.410 2.470 2.392 2.569 . 0 0 "[ . 1 . 2]" 2
584 1 36 CYS HB2 1 43 ILE HG13 . . 4.300 2.758 2.623 2.949 . 0 0 "[ . 1 . 2]" 2
585 1 36 CYS HB2 1 43 ILE HG12 . . 4.240 3.419 3.354 3.510 . 0 0 "[ . 1 . 2]" 2
586 1 36 CYS HB2 1 37 HIS H . . 4.380 3.869 3.851 3.926 . 0 0 "[ . 1 . 2]" 2
587 1 36 CYS HB2 1 41 GLN H . . 3.790 2.676 2.529 2.851 . 0 0 "[ . 1 . 2]" 2
588 1 35 ILE MD 1 36 CYS HB2 . . 4.910 4.732 4.610 4.844 . 0 0 "[ . 1 . 2]" 2
589 1 8 CYS HB3 1 9 GLN H . . 4.490 3.707 3.583 3.781 . 0 0 "[ . 1 . 2]" 2
590 1 8 CYS HB3 1 30 HIS HE1 . . 3.990 3.055 2.353 3.555 . 0 0 "[ . 1 . 2]" 2
591 1 8 CYS HB3 1 15 ILE HG13 . . 3.730 3.345 3.048 3.600 . 0 0 "[ . 1 . 2]" 2
592 1 8 CYS HB2 1 29 TRP HA . . 5.040 3.911 3.722 4.062 . 0 0 "[ . 1 . 2]" 2
593 1 11 CYS HB2 1 13 LYS QD . . 4.410 4.121 3.374 4.424 0.014 18 0 "[ . 1 . 2]" 2
594 1 11 CYS HB2 1 13 LYS HG2 . . 4.290 3.049 2.551 3.983 . 0 0 "[ . 1 . 2]" 2
595 1 11 CYS HB2 1 13 LYS HG3 . . 4.290 2.783 2.242 3.160 . 0 0 "[ . 1 . 2]" 2
596 1 10 GLU HB3 1 11 CYS HB3 . . 4.080 3.663 3.497 3.889 . 0 0 "[ . 1 . 2]" 2
597 1 8 CYS HB3 1 30 HIS H . . 4.580 4.499 4.346 4.591 0.011 13 0 "[ . 1 . 2]" 2
598 1 8 CYS HB3 1 13 LYS H . . 4.170 1.918 1.885 2.024 . 0 0 "[ . 1 . 2]" 2
599 1 59 PRO HB3 1 60 CYS H . . 4.340 4.267 4.175 4.354 0.014 17 0 "[ . 1 . 2]" 2
600 1 60 CYS H 1 60 CYS HB2 . . 3.390 2.437 2.395 2.485 . 0 0 "[ . 1 . 2]" 2
601 1 56 PHE QD 1 60 CYS HB2 . . 4.280 3.461 3.207 3.590 . 0 0 "[ . 1 . 2]" 2
602 1 38 ARG HB3 1 60 CYS HB2 . . 3.960 3.906 3.707 3.979 0.019 16 0 "[ . 1 . 2]" 2
603 1 57 CYS H 1 60 CYS HB3 . . 4.410 3.592 3.497 3.665 . 0 0 "[ . 1 . 2]" 2
604 1 60 CYS HB3 1 61 TYR H . . 4.020 3.351 3.218 3.669 . 0 0 "[ . 1 . 2]" 2
605 1 60 CYS H 1 60 CYS HB3 . . 3.650 3.626 3.598 3.662 0.012 17 0 "[ . 1 . 2]" 2
606 1 56 PHE QD 1 60 CYS HB3 . . 3.950 2.560 2.277 2.761 . 0 0 "[ . 1 . 2]" 2
607 1 30 HIS HB2 1 31 GLU H . . 4.310 4.072 3.670 4.239 . 0 0 "[ . 1 . 2]" 2
608 1 61 TYR HA 1 61 TYR QD . . 3.660 2.521 2.309 2.756 . 0 0 "[ . 1 . 2]" 2
609 1 61 TYR HA 1 61 TYR QE . . 4.820 4.480 4.376 4.575 . 0 0 "[ . 1 . 2]" 2
610 1 30 HIS H 1 30 HIS HB3 . . 3.580 3.550 3.515 3.577 . 0 0 "[ . 1 . 2]" 2
611 1 61 TYR HA 1 63 LYS H . . 4.330 4.251 3.889 4.332 0.002 11 0 "[ . 1 . 2]" 2
612 1 56 PHE QD 1 61 TYR HA . . 4.550 3.969 3.725 4.172 . 0 0 "[ . 1 . 2]" 2
613 1 37 HIS HB2 1 38 ARG H . . 3.990 3.383 3.263 3.512 . 0 0 "[ . 1 . 2]" 2
614 1 37 HIS HB2 1 56 PHE QE . . 4.510 2.935 2.792 3.154 . 0 0 "[ . 1 . 2]" 2
615 1 37 HIS HB2 1 56 PHE HZ . . 4.920 3.153 2.853 3.370 . 0 0 "[ . 1 . 2]" 2
616 1 37 HIS HB3 1 54 GLN HB3 . . 4.160 3.638 3.451 3.935 . 0 0 "[ . 1 . 2]" 2
617 1 37 HIS HB3 1 38 ARG H . . 3.990 3.892 3.795 3.973 . 0 0 "[ . 1 . 2]" 2
618 1 37 HIS H 1 37 HIS HB3 . . 3.700 3.542 3.518 3.617 . 0 0 "[ . 1 . 2]" 2
619 1 37 HIS HB3 1 56 PHE QE . . 4.570 2.876 2.566 3.259 . 0 0 "[ . 1 . 2]" 2
620 1 16 MET HB3 1 17 PRO HD2 . . 3.850 2.130 1.999 2.362 . 0 0 "[ . 1 . 2]" 2
621 1 16 MET HB2 1 17 PRO HD2 . . 3.850 3.706 3.596 3.879 0.029 13 0 "[ . 1 . 2]" 2
622 1 25 LYS HB2 1 25 LYS QE . . 4.960 3.677 2.221 4.461 . 0 0 "[ . 1 . 2]" 2
623 1 43 ILE HA 1 43 ILE HG13 . . 4.050 2.823 2.756 2.895 . 0 0 "[ . 1 . 2]" 2
624 1 43 ILE HA 1 43 ILE HG12 . . 3.760 2.672 2.599 2.773 . 0 0 "[ . 1 . 2]" 2
625 1 15 ILE HG12 1 30 HIS HB2 . . 5.120 4.684 4.336 4.874 . 0 0 "[ . 1 . 2]" 2
626 1 43 ILE HA 1 46 LYS QB . . 5.180 4.817 3.579 5.188 0.008 1 0 "[ . 1 . 2]" 2
627 1 38 ARG HB3 1 60 CYS HB3 . . 3.490 2.658 2.409 2.787 . 0 0 "[ . 1 . 2]" 2
628 1 38 ARG HB3 1 56 PHE QD . . 3.690 3.257 3.012 3.463 . 0 0 "[ . 1 . 2]" 2
629 1 38 ARG HB3 1 38 ARG HD2 . . 3.610 3.187 3.030 3.423 . 0 0 "[ . 1 . 2]" 2
630 1 38 ARG HB2 1 60 CYS HB2 . . 4.480 4.249 4.057 4.481 0.001 6 0 "[ . 1 . 2]" 2
631 1 38 ARG HB2 1 60 CYS HB3 . . 3.870 2.765 2.601 2.960 . 0 0 "[ . 1 . 2]" 2
632 1 57 CYS H 1 57 CYS HB2 . . 4.030 2.809 2.760 2.838 . 0 0 "[ . 1 . 2]" 2
633 1 57 CYS HB2 1 59 PRO HB3 . . 5.340 5.231 5.176 5.320 . 0 0 "[ . 1 . 2]" 2
634 1 43 ILE MG 1 57 CYS HB2 . . 5.350 5.315 5.124 5.358 0.008 11 0 "[ . 1 . 2]" 2
635 1 43 ILE MD 1 57 CYS HB2 . . 4.920 4.759 4.473 4.924 0.004 18 0 "[ . 1 . 2]" 2
636 1 57 CYS HB3 1 59 PRO HD2 . . 3.750 2.370 2.339 2.434 . 0 0 "[ . 1 . 2]" 2
637 1 43 ILE HG12 1 57 CYS HB3 . . 4.370 3.831 3.715 3.892 . 0 0 "[ . 1 . 2]" 2
638 1 43 ILE MD 1 57 CYS HB3 . . 4.530 4.186 3.877 4.340 . 0 0 "[ . 1 . 2]" 2
639 1 31 GLU H 1 31 GLU HB2 . . 3.690 3.560 3.118 3.599 . 0 0 "[ . 1 . 2]" 2
640 1 31 GLU HB2 1 32 THR MG . . 4.200 4.065 3.907 4.259 0.059 8 0 "[ . 1 . 2]" 2
641 1 19 THR MG 1 31 GLU HB3 . . 4.770 4.627 4.218 4.784 0.014 2 0 "[ . 1 . 2]" 2
642 1 45 THR HA 1 48 PHE QD . . 4.630 4.456 4.080 4.631 0.001 5 0 "[ . 1 . 2]" 2
643 1 45 THR HA 1 45 THR MG . . 3.100 2.286 2.155 2.390 . 0 0 "[ . 1 . 2]" 2
644 1 62 GLU H 1 62 GLU HB2 . . 3.690 2.334 2.208 2.455 . 0 0 "[ . 1 . 2]" 2
645 1 62 GLU H 1 62 GLU HB3 . . 3.900 3.559 3.507 3.592 . 0 0 "[ . 1 . 2]" 2
646 1 62 GLU HB3 1 63 LYS H . . 4.430 3.414 3.245 3.727 . 0 0 "[ . 1 . 2]" 2
647 1 59 PRO HA 1 62 GLU HB3 . . 4.970 4.632 4.381 4.810 . 0 0 "[ . 1 . 2]" 2
648 1 22 MET H 1 31 GLU HA . . 5.160 4.612 3.936 4.911 . 0 0 "[ . 1 . 2]" 2
649 1 31 GLU HA 1 34 PHE H . . 4.630 4.184 3.787 4.529 . 0 0 "[ . 1 . 2]" 2
650 1 21 LYS HA 1 31 GLU HA . . 4.670 3.710 3.147 4.065 . 0 0 "[ . 1 . 2]" 2
651 1 31 GLU HA 1 34 PHE HB3 . . 4.300 3.906 3.441 4.283 . 0 0 "[ . 1 . 2]" 2
652 1 31 GLU HA 1 31 GLU HG2 . . 3.960 3.802 3.698 3.945 . 0 0 "[ . 1 . 2]" 2
653 1 22 MET HG2 1 31 GLU HA . . 3.660 3.248 2.883 3.629 . 0 0 "[ . 1 . 2]" 2
654 1 24 TYR QD 1 25 LYS QD . . 4.370 3.474 2.057 4.288 . 0 0 "[ . 1 . 2]" 2
655 1 24 TYR QE 1 25 LYS QD . . 3.900 2.925 1.953 3.839 . 0 0 "[ . 1 . 2]" 2
656 1 19 THR HA 1 19 THR HB . . 3.010 2.502 2.463 2.545 . 0 0 "[ . 1 . 2]" 2
657 1 19 THR HA 1 19 THR MG . . 3.360 3.195 3.184 3.207 . 0 0 "[ . 1 . 2]" 2
658 1 51 LYS HD2 1 61 TYR QE . . 4.480 3.438 2.190 4.377 . 0 0 "[ . 1 . 2]" 2
659 1 51 LYS HA 1 51 LYS HD2 . . 4.660 3.082 2.284 4.455 . 0 0 "[ . 1 . 2]" 2
660 1 43 ILE H 1 43 ILE HG13 . . 3.730 1.935 1.884 1.983 . 0 0 "[ . 1 . 2]" 2
661 1 35 ILE HA 1 43 ILE HG13 . . 4.030 3.684 3.535 3.870 . 0 0 "[ . 1 . 2]" 2
662 1 36 CYS H 1 43 ILE HG13 . . 4.600 3.435 3.191 3.625 . 0 0 "[ . 1 . 2]" 2
663 1 43 ILE HG12 1 48 PHE HB2 . . 5.150 3.750 3.490 4.102 . 0 0 "[ . 1 . 2]" 2
664 1 15 ILE HA 1 16 MET H . . 3.450 2.171 2.140 2.218 . 0 0 "[ . 1 . 2]" 2
665 1 12 LYS HB2 1 12 LYS HD3 . . 4.170 3.623 2.167 4.218 0.048 10 0 "[ . 1 . 2]" 2
666 1 12 LYS HB3 1 12 LYS HD3 . . 4.170 3.466 2.894 3.703 . 0 0 "[ . 1 . 2]" 2
667 1 13 LYS H 1 13 LYS QD . . 5.220 4.441 3.945 4.849 . 0 0 "[ . 1 . 2]" 2
668 1 13 LYS HA 1 13 LYS QD . . 3.730 2.788 2.028 3.738 0.008 1 0 "[ . 1 . 2]" 2
669 1 10 GLU HG2 1 33 CYS HA . . 4.740 3.757 2.932 4.763 0.023 9 0 "[ . 1 . 2]" 2
670 1 10 GLU HB3 1 33 CYS HA . . 4.130 4.063 3.908 4.161 0.031 8 0 "[ . 1 . 2]" 2
671 1 33 CYS HA 1 35 ILE QG . . 4.320 3.278 3.161 3.339 . 0 0 "[ . 1 . 2]" 2
672 1 33 CYS HA 1 35 ILE MD . . 4.760 4.738 4.571 4.830 0.070 9 0 "[ . 1 . 2]" 2
673 1 33 CYS HA 1 35 ILE MG . . 3.900 3.578 3.422 3.767 . 0 0 "[ . 1 . 2]" 2
674 1 29 TRP HD1 1 33 CYS HA . . 5.110 4.873 4.606 5.075 . 0 0 "[ . 1 . 2]" 2
675 1 15 ILE HA 1 30 HIS HD2 . . 4.350 3.876 3.607 4.071 . 0 0 "[ . 1 . 2]" 2
676 1 37 HIS HA 1 40 GLN HE22 . . 4.960 3.825 2.304 4.962 0.002 18 0 "[ . 1 . 2]" 2
677 1 12 LYS HB2 1 12 LYS HD2 . . 4.170 3.493 2.898 3.633 . 0 0 "[ . 1 . 2]" 2
678 1 12 LYS HA 1 12 LYS HD3 . . 4.000 3.134 2.203 4.062 0.062 4 0 "[ . 1 . 2]" 2
679 1 37 HIS HA 1 37 HIS HD2 . . 4.480 3.329 2.779 3.519 . 0 0 "[ . 1 . 2]" 2
680 1 37 HIS HA 1 40 GLN HE21 . . 4.960 2.984 2.153 3.995 . 0 0 "[ . 1 . 2]" 2
681 1 12 LYS HB3 1 12 LYS HD2 . . 4.170 2.827 2.183 4.219 0.049 6 0 "[ . 1 . 2]" 2
682 1 30 HIS HA 1 31 GLU H . . 3.030 2.288 2.199 2.551 . 0 0 "[ . 1 . 2]" 2
683 1 30 HIS HA 1 30 HIS HD2 . . 3.720 2.804 2.524 3.113 . 0 0 "[ . 1 . 2]" 2
684 1 21 LYS HA 1 30 HIS HA . . 3.710 3.198 2.823 3.476 . 0 0 "[ . 1 . 2]" 2
685 1 30 HIS HA 1 31 GLU HB3 . . 4.570 4.532 4.436 4.580 0.010 14 0 "[ . 1 . 2]" 2
686 1 21 LYS QB 1 30 HIS HA . . 4.180 3.267 2.557 3.501 . 0 0 "[ . 1 . 2]" 2
687 1 19 THR MG 1 30 HIS HA . . 4.500 4.171 3.892 4.398 . 0 0 "[ . 1 . 2]" 2
688 1 9 GLN H 1 9 GLN HB2 . . 3.380 2.340 2.306 2.561 . 0 0 "[ . 1 . 2]" 2
689 1 8 CYS HA 1 9 GLN HB2 . . 4.400 4.244 4.118 4.279 . 0 0 "[ . 1 . 2]" 2
690 1 9 GLN HB2 1 10 GLU H . . 4.170 3.021 2.893 3.657 . 0 0 "[ . 1 . 2]" 2
691 1 9 GLN HB3 1 10 GLU H . . 4.080 3.378 2.834 3.529 . 0 0 "[ . 1 . 2]" 2
692 1 16 MET HA 1 17 PRO HG2 . . 4.730 4.487 4.412 4.543 . 0 0 "[ . 1 . 2]" 2
693 1 20 ARG HA 1 20 ARG HG2 . . 3.830 3.081 2.339 3.752 . 0 0 "[ . 1 . 2]" 2
694 1 20 ARG HA 1 20 ARG HG3 . . 3.830 3.553 2.501 3.854 0.024 13 0 "[ . 1 . 2]" 2
695 1 32 THR MG 1 42 PRO HG2 . . 5.500 5.060 4.493 5.514 0.014 4 0 "[ . 1 . 2]" 2
696 1 41 GLN HA 1 42 PRO HG3 . . 4.650 4.415 4.395 4.431 . 0 0 "[ . 1 . 2]" 2
697 1 32 THR HA 1 42 PRO HG3 . . 4.430 4.403 4.292 4.442 0.012 12 0 "[ . 1 . 2]" 2
698 1 49 ILE H 1 49 ILE HG12 . . 4.350 4.192 4.107 4.291 . 0 0 "[ . 1 . 2]" 2
699 1 49 ILE HG12 1 58 VAL HA . . 4.710 4.406 4.274 4.732 0.022 18 0 "[ . 1 . 2]" 2
700 1 49 ILE HG13 1 58 VAL HA . . 5.330 4.570 4.416 5.147 . 0 0 "[ . 1 . 2]" 2
701 1 49 ILE H 1 49 ILE HG13 . . 4.380 3.479 3.372 3.640 . 0 0 "[ . 1 . 2]" 2
702 1 47 SER HA 1 48 PHE H . . 3.150 2.189 2.139 2.547 . 0 0 "[ . 1 . 2]" 2
703 1 47 SER HA 1 58 VAL MG2 . . 4.560 3.937 3.435 4.601 0.041 10 0 "[ . 1 . 2]" 2
704 1 61 TYR QD 1 62 GLU HA . . 4.100 3.716 3.321 4.096 . 0 0 "[ . 1 . 2]" 2
705 1 62 GLU HA 1 62 GLU HG2 . . 4.000 2.809 2.176 3.639 . 0 0 "[ . 1 . 2]" 2
706 1 62 GLU HA 1 62 GLU HG3 . . 4.000 3.380 2.572 3.717 . 0 0 "[ . 1 . 2]" 2
707 1 35 ILE HA 1 43 ILE H . . 3.600 2.613 2.462 2.850 . 0 0 "[ . 1 . 2]" 2
708 1 35 ILE HA 1 36 CYS H . . 3.170 2.512 2.389 2.628 . 0 0 "[ . 1 . 2]" 2
709 1 35 ILE HA 1 36 CYS HB3 . . 5.280 5.130 5.059 5.185 . 0 0 "[ . 1 . 2]" 2
710 1 35 ILE HA 1 35 ILE QG . . 3.800 3.371 3.329 3.396 . 0 0 "[ . 1 . 2]" 2
711 1 48 PHE QE 1 50 PRO HG2 . . 4.890 4.754 4.586 4.896 0.006 18 0 "[ . 1 . 2]" 2
712 1 49 ILE HA 1 50 PRO HG2 . . 4.670 4.119 4.117 4.130 . 0 0 "[ . 1 . 2]" 2
713 1 49 ILE MG 1 50 PRO HG2 . . 4.730 3.906 3.841 3.986 . 0 0 "[ . 1 . 2]" 2
714 1 48 PHE QE 1 50 PRO HG3 . . 4.150 3.872 3.663 4.002 . 0 0 "[ . 1 . 2]" 2
715 1 15 ILE H 1 15 ILE HG13 . . 3.620 2.201 1.956 2.299 . 0 0 "[ . 1 . 2]" 2
716 1 15 ILE HA 1 15 ILE HG13 . . 3.570 2.961 2.878 3.089 . 0 0 "[ . 1 . 2]" 2
717 1 14 THR HA 1 15 ILE HG13 . . 3.930 3.786 3.679 3.869 . 0 0 "[ . 1 . 2]" 2
718 1 15 ILE HA 1 15 ILE HG12 . . 3.630 2.627 2.533 2.720 . 0 0 "[ . 1 . 2]" 2
719 1 8 CYS HB3 1 15 ILE HG12 . . 3.950 3.760 3.589 3.855 . 0 0 "[ . 1 . 2]" 2
720 1 38 ARG HA 1 56 PHE QE . . 4.590 3.444 3.292 3.544 . 0 0 "[ . 1 . 2]" 2
721 1 38 ARG HA 1 38 ARG QG . . 3.100 2.274 2.155 2.395 . 0 0 "[ . 1 . 2]" 2
722 1 63 LYS HA 1 63 LYS HG2 . . 3.590 2.720 2.299 3.636 0.046 19 0 "[ . 1 . 2]" 2
723 1 8 CYS HA 1 15 ILE HG12 . . 4.660 3.848 3.556 4.066 . 0 0 "[ . 1 . 2]" 2
724 1 8 CYS HA 1 30 HIS H . . 4.410 3.982 3.685 4.093 . 0 0 "[ . 1 . 2]" 2
725 1 8 CYS HA 1 9 GLN H . . 2.740 2.391 2.379 2.401 . 0 0 "[ . 1 . 2]" 2
726 1 8 CYS HA 1 15 ILE HG13 . . 3.810 3.238 2.989 3.483 . 0 0 "[ . 1 . 2]" 2
727 1 63 LYS HA 1 63 LYS HG3 . . 3.590 2.910 2.374 3.627 0.037 12 0 "[ . 1 . 2]" 2
728 1 36 CYS HA 1 57 CYS H . . 4.820 4.727 4.660 4.827 0.007 17 0 "[ . 1 . 2]" 2
729 1 20 ARG HA 1 21 LYS H . . 2.800 2.184 2.139 2.321 . 0 0 "[ . 1 . 2]" 2
730 1 36 CYS HA 1 38 ARG H . . 4.110 4.025 3.944 4.085 . 0 0 "[ . 1 . 2]" 2
731 1 40 GLN HA 1 40 GLN HG2 . . 3.850 3.118 2.630 3.590 . 0 0 "[ . 1 . 2]" 2
732 1 40 GLN HA 1 40 GLN HG3 . . 3.850 3.073 2.204 3.716 . 0 0 "[ . 1 . 2]" 2
733 1 40 GLN HA 1 40 GLN HB3 . . 2.860 2.551 2.469 2.620 . 0 0 "[ . 1 . 2]" 2
734 1 35 ILE MG 1 40 GLN HA . . 4.640 4.272 4.068 4.442 . 0 0 "[ . 1 . 2]" 2
735 1 8 CYS HA 1 9 GLN HA . . 4.630 4.384 4.376 4.391 . 0 0 "[ . 1 . 2]" 2
736 1 9 GLN HA 1 9 GLN HG3 . . 3.780 3.341 2.530 3.622 . 0 0 "[ . 1 . 2]" 2
737 1 40 GLN H 1 40 GLN HB2 . . 3.970 3.421 3.315 3.575 . 0 0 "[ . 1 . 2]" 2
738 1 35 ILE MD 1 40 GLN HB2 . . 4.420 4.345 4.110 4.433 0.013 13 0 "[ . 1 . 2]" 2
739 1 13 LYS H 1 13 LYS HG2 . . 4.100 3.030 2.728 3.817 . 0 0 "[ . 1 . 2]" 2
740 1 13 LYS HA 1 13 LYS HG3 . . 3.920 3.708 3.255 3.828 . 0 0 "[ . 1 . 2]" 2
741 1 49 ILE HA 1 50 PRO HG3 . . 4.410 4.362 4.342 4.370 . 0 0 "[ . 1 . 2]" 2
742 1 49 ILE HA 1 49 ILE HG12 . . 3.960 3.514 3.485 3.593 . 0 0 "[ . 1 . 2]" 2
743 1 49 ILE HA 1 49 ILE HG13 . . 3.740 2.294 2.240 2.329 . 0 0 "[ . 1 . 2]" 2
744 1 12 LYS HA 1 12 LYS HD2 . . 4.000 2.712 1.995 3.875 . 0 0 "[ . 1 . 2]" 2
745 1 12 LYS HA 1 12 LYS HG2 . . 3.970 3.079 2.772 3.570 . 0 0 "[ . 1 . 2]" 2
746 1 25 LYS HA 1 25 LYS QD . . 4.090 3.324 2.122 4.110 0.020 20 0 "[ . 1 . 2]" 2
747 1 25 LYS HA 1 25 LYS HG2 . . 3.800 2.575 2.164 3.610 . 0 0 "[ . 1 . 2]" 2
748 1 25 LYS H 1 25 LYS HG2 . . 4.580 3.561 2.691 4.595 0.015 4 0 "[ . 1 . 2]" 2
749 1 25 LYS HA 1 25 LYS HG3 . . 3.800 3.143 2.390 3.756 . 0 0 "[ . 1 . 2]" 2
750 1 34 PHE HA 1 34 PHE QD . . 3.350 2.608 2.376 2.747 . 0 0 "[ . 1 . 2]" 2
751 1 29 TRP HB3 1 34 PHE HA . . 4.220 2.981 2.774 3.298 . 0 0 "[ . 1 . 2]" 2
752 1 46 LYS HA 1 46 LYS HG3 . . 4.040 3.576 2.454 3.870 . 0 0 "[ . 1 . 2]" 2
753 1 51 LYS QE 1 51 LYS HG2 . . 3.680 2.541 2.105 3.491 . 0 0 "[ . 1 . 2]" 2
754 1 12 LYS H 1 12 LYS HG2 . . 4.510 3.192 2.542 4.541 0.031 4 0 "[ . 1 . 2]" 2
755 1 12 LYS HE2 1 12 LYS HG2 . . 3.980 3.242 2.489 4.064 0.084 18 0 "[ . 1 . 2]" 2
756 1 51 LYS QE 1 51 LYS HG3 . . 3.680 2.803 2.174 3.422 . 0 0 "[ . 1 . 2]" 2
757 1 12 LYS HA 1 12 LYS HG3 . . 3.970 3.397 2.205 3.821 . 0 0 "[ . 1 . 2]" 2
758 1 12 LYS HE3 1 12 LYS HG3 . . 3.980 3.057 2.074 3.783 . 0 0 "[ . 1 . 2]" 2
759 1 34 PHE HA 1 35 ILE QG . . 4.190 4.086 3.904 4.197 0.007 7 0 "[ . 1 . 2]" 2
760 1 35 ILE QG 1 40 GLN HA . . 4.120 4.033 3.906 4.107 . 0 0 "[ . 1 . 2]" 2
761 1 65 HIS HA 1 65 HIS HD2 . . 4.830 4.473 3.854 4.886 0.056 12 0 "[ . 1 . 2]" 2
762 1 46 LYS HA 1 46 LYS HG2 . . 4.040 3.579 2.605 4.211 0.171 15 0 "[ . 1 . 2]" 2
763 1 52 ASP HA 1 52 ASP HB3 . . 3.020 2.612 2.601 2.623 . 0 0 "[ . 1 . 2]" 2
764 1 51 LYS HA 1 51 LYS HG2 . . 3.930 3.767 3.324 3.844 . 0 0 "[ . 1 . 2]" 2
765 1 51 LYS HA 1 51 LYS HG3 . . 3.930 2.862 2.304 3.054 . 0 0 "[ . 1 . 2]" 2
766 1 21 LYS H 1 21 LYS HG2 . . 3.850 2.315 2.135 2.566 . 0 0 "[ . 1 . 2]" 2
767 1 15 ILE MG 1 21 LYS HG2 . . 4.570 3.837 3.481 4.021 . 0 0 "[ . 1 . 2]" 2
768 1 21 LYS HG3 1 22 MET H . . 4.380 3.241 2.956 3.478 . 0 0 "[ . 1 . 2]" 2
769 1 21 LYS HG3 1 23 GLU HG3 . . 4.070 2.732 2.478 3.482 . 0 0 "[ . 1 . 2]" 2
770 1 15 ILE MG 1 21 LYS HG3 . . 4.550 4.141 3.955 4.411 . 0 0 "[ . 1 . 2]" 2
771 1 15 ILE MD 1 21 LYS HG3 . . 4.410 3.736 3.418 3.995 . 0 0 "[ . 1 . 2]" 2
772 1 21 LYS H 1 21 LYS HG3 . . 4.200 3.627 3.436 3.805 . 0 0 "[ . 1 . 2]" 2
773 1 49 ILE H 1 58 VAL MG2 . . 4.760 3.943 3.708 4.133 . 0 0 "[ . 1 . 2]" 2
774 1 57 CYS HA 1 58 VAL MG2 . . 4.110 4.066 3.953 4.131 0.021 1 0 "[ . 1 . 2]" 2
775 1 58 VAL HA 1 58 VAL MG2 . . 2.720 2.169 2.121 2.238 . 0 0 "[ . 1 . 2]" 2
776 1 57 CYS HB3 1 58 VAL MG2 . . 4.390 4.238 4.158 4.370 . 0 0 "[ . 1 . 2]" 2
777 1 48 PHE HB2 1 58 VAL MG2 . . 5.140 4.793 4.644 5.055 . 0 0 "[ . 1 . 2]" 2
778 1 46 LYS QB 1 58 VAL MG2 . . 5.500 5.225 3.840 5.559 0.059 16 0 "[ . 1 . 2]" 2
779 1 49 ILE HB 1 58 VAL MG2 . . 5.170 4.905 4.750 5.045 . 0 0 "[ . 1 . 2]" 2
780 1 32 THR H 1 32 THR MG . . 3.780 2.724 2.364 3.008 . 0 0 "[ . 1 . 2]" 2
781 1 30 HIS HB3 1 32 THR MG . . 4.460 4.118 3.883 4.369 . 0 0 "[ . 1 . 2]" 2
782 1 31 GLU HG2 1 32 THR MG . . 3.570 2.937 2.007 3.465 . 0 0 "[ . 1 . 2]" 2
783 1 31 GLU HG3 1 32 THR MG . . 3.570 2.121 1.958 3.186 . 0 0 "[ . 1 . 2]" 2
784 1 14 THR HA 1 14 THR MG . . 3.010 2.315 2.224 2.435 . 0 0 "[ . 1 . 2]" 2
785 1 7 GLY HA3 1 14 THR MG . . 4.900 4.577 4.320 4.864 . 0 0 "[ . 1 . 2]" 2
786 1 14 THR MG 1 16 MET HG2 . . 4.030 4.005 3.893 4.038 0.008 6 0 "[ . 1 . 2]" 2
787 1 14 THR MG 1 16 MET HA . . 3.840 3.578 3.341 3.838 . 0 0 "[ . 1 . 2]" 2
788 1 14 THR MG 1 16 MET ME . . 3.830 1.933 1.858 2.100 . 0 0 "[ . 1 . 2]" 2
789 1 14 THR MG 1 15 ILE HB . . 4.570 4.427 4.274 4.573 0.003 1 0 "[ . 1 . 2]" 2
790 1 54 GLN HA 1 55 ASN H . . 3.280 2.563 2.465 2.613 . 0 0 "[ . 1 . 2]" 2
791 1 37 HIS HE1 1 54 GLN HA . . 4.220 3.314 2.939 3.683 . 0 0 "[ . 1 . 2]" 2
792 1 54 GLN HA 1 54 GLN HG2 . . 3.470 2.582 2.444 2.720 . 0 0 "[ . 1 . 2]" 2
793 1 54 GLN HA 1 54 GLN HG3 . . 3.470 3.150 3.013 3.352 . 0 0 "[ . 1 . 2]" 2
794 1 19 THR MG 1 20 ARG H . . 3.890 3.446 3.188 3.632 . 0 0 "[ . 1 . 2]" 2
795 1 19 THR H 1 19 THR MG . . 3.500 2.364 1.941 2.718 . 0 0 "[ . 1 . 2]" 2
796 1 16 MET HG3 1 19 THR MG . . 5.160 4.809 4.240 5.175 0.015 4 0 "[ . 1 . 2]" 2
797 1 16 MET HG2 1 19 THR MG . . 5.250 4.558 4.044 4.969 . 0 0 "[ . 1 . 2]" 2
798 1 16 MET HB3 1 19 THR MG . . 4.160 3.956 3.192 4.186 0.026 18 0 "[ . 1 . 2]" 2
799 1 16 MET HB2 1 19 THR MG . . 3.350 2.826 2.114 3.213 . 0 0 "[ . 1 . 2]" 2
800 1 16 MET HA 1 16 MET ME . . 3.340 2.011 1.906 2.163 . 0 0 "[ . 1 . 2]" 2
801 1 58 VAL MG1 1 59 PRO HB3 . . 4.240 3.839 3.672 4.099 . 0 0 "[ . 1 . 2]" 2
802 1 58 VAL MG1 1 59 PRO HA . . 3.950 3.159 2.988 3.424 . 0 0 "[ . 1 . 2]" 2
803 1 49 ILE MD 1 58 VAL MG1 . . 4.030 3.184 3.034 3.408 . 0 0 "[ . 1 . 2]" 2
804 1 63 LYS HA 1 66 ALA MB . . 4.720 3.119 2.036 4.536 . 0 0 "[ . 1 . 2]" 2
805 1 62 GLU HA 1 66 ALA MB . . 4.490 4.100 3.464 4.479 . 0 0 "[ . 1 . 2]" 2
806 1 49 ILE HA 1 50 PRO HD3 . . 3.040 2.461 2.414 2.477 . 0 0 "[ . 1 . 2]" 2
807 1 48 PHE QD 1 50 PRO HD3 . . 4.810 3.553 3.329 3.694 . 0 0 "[ . 1 . 2]" 2
808 1 48 PHE QE 1 50 PRO HD3 . . 5.110 3.392 3.237 3.519 . 0 0 "[ . 1 . 2]" 2
809 1 48 PHE QD 1 50 PRO HD2 . . 5.210 4.776 4.518 4.881 . 0 0 "[ . 1 . 2]" 2
810 1 49 ILE HA 1 50 PRO HD2 . . 2.960 1.914 1.911 1.923 . 0 0 "[ . 1 . 2]" 2
811 1 49 ILE MG 1 50 PRO HD2 . . 3.760 2.713 2.654 2.802 . 0 0 "[ . 1 . 2]" 2
812 1 14 THR MG 1 17 PRO HD3 . . 4.970 4.547 4.178 4.850 . 0 0 "[ . 1 . 2]" 2
813 1 14 THR MG 1 17 PRO HD2 . . 5.500 5.238 4.943 5.484 . 0 0 "[ . 1 . 2]" 2
814 1 43 ILE MG 1 44 GLY H . . 4.260 3.027 2.829 3.231 . 0 0 "[ . 1 . 2]" 2
815 1 43 ILE MG 1 46 LYS H . . 4.510 2.736 2.301 3.334 . 0 0 "[ . 1 . 2]" 2
816 1 43 ILE MG 1 48 PHE QD . . 3.660 2.788 2.009 3.104 . 0 0 "[ . 1 . 2]" 2
817 1 34 PHE QD 1 43 ILE MG . . 4.650 4.081 3.730 4.342 . 0 0 "[ . 1 . 2]" 2
818 1 34 PHE QE 1 43 ILE MG . . 3.910 3.456 3.099 3.649 . 0 0 "[ . 1 . 2]" 2
819 1 43 ILE MG 1 48 PHE HA . . 4.360 4.026 3.896 4.277 . 0 0 "[ . 1 . 2]" 2
820 1 43 ILE MG 1 57 CYS HA . . 4.080 3.766 3.414 3.935 . 0 0 "[ . 1 . 2]" 2
821 1 43 ILE MG 1 45 THR HA . . 4.760 4.103 3.947 4.291 . 0 0 "[ . 1 . 2]" 2
822 1 43 ILE MG 1 46 LYS HA . . 5.250 4.560 4.236 4.752 . 0 0 "[ . 1 . 2]" 2
823 1 43 ILE HA 1 43 ILE MG . . 3.470 2.456 2.429 2.485 . 0 0 "[ . 1 . 2]" 2
824 1 43 ILE MG 1 57 CYS HB3 . . 4.000 3.979 3.785 4.011 0.011 8 0 "[ . 1 . 2]" 2
825 1 43 ILE MG 1 48 PHE HB3 . . 3.540 2.040 1.886 2.271 . 0 0 "[ . 1 . 2]" 2
826 1 43 ILE MG 1 48 PHE HB2 . . 3.700 2.770 2.524 3.460 . 0 0 "[ . 1 . 2]" 2
827 1 43 ILE MG 1 46 LYS QB . . 3.610 3.330 2.150 3.707 0.097 9 0 "[ . 1 . 2]" 2
828 1 58 VAL H 1 59 PRO HD2 . . 3.400 1.887 1.871 1.901 . 0 0 "[ . 1 . 2]" 2
829 1 59 PRO HD2 1 60 CYS H . . 4.000 2.694 2.649 2.765 . 0 0 "[ . 1 . 2]" 2
830 1 57 CYS HA 1 59 PRO HD2 . . 4.340 3.773 3.727 3.835 . 0 0 "[ . 1 . 2]" 2
831 1 57 CYS HB2 1 59 PRO HD2 . . 3.410 2.039 1.986 2.130 . 0 0 "[ . 1 . 2]" 2
832 1 58 VAL HB 1 59 PRO HD2 . . 3.240 2.676 2.626 2.718 . 0 0 "[ . 1 . 2]" 2
833 1 58 VAL MG1 1 59 PRO HD2 . . 3.960 3.722 3.612 3.884 . 0 0 "[ . 1 . 2]" 2
834 1 58 VAL MG2 1 59 PRO HD2 . . 3.750 3.789 3.720 3.847 0.097 19 0 "[ . 1 . 2]" 2
835 1 58 VAL H 1 59 PRO HD3 . . 3.420 2.846 2.813 2.875 . 0 0 "[ . 1 . 2]" 2
836 1 59 PRO HD3 1 60 CYS H . . 4.680 3.867 3.840 3.906 . 0 0 "[ . 1 . 2]" 2
837 1 57 CYS HB3 1 59 PRO HD3 . . 4.360 3.815 3.769 3.904 . 0 0 "[ . 1 . 2]" 2
838 1 58 VAL HB 1 59 PRO HD3 . . 2.670 1.871 1.845 1.887 . 0 0 "[ . 1 . 2]" 2
839 1 58 VAL MG1 1 59 PRO HD3 . . 3.340 2.748 2.581 2.951 . 0 0 "[ . 1 . 2]" 2
840 1 58 VAL MG2 1 59 PRO HD3 . . 3.570 3.602 3.513 3.646 0.076 4 0 "[ . 1 . 2]" 2
841 1 8 CYS HB2 1 15 ILE MG . . 4.750 4.142 4.011 4.271 . 0 0 "[ . 1 . 2]" 2
842 1 15 ILE MG 1 28 SER HB2 . . 5.340 4.575 3.852 5.346 0.006 14 0 "[ . 1 . 2]" 2
843 1 15 ILE MG 1 16 MET H . . 4.030 2.945 2.482 3.235 . 0 0 "[ . 1 . 2]" 2
844 1 15 ILE MG 1 30 HIS H . . 4.880 4.666 4.480 4.885 0.005 15 0 "[ . 1 . 2]" 2
845 1 15 ILE H 1 15 ILE MG . . 4.100 3.777 3.766 3.790 . 0 0 "[ . 1 . 2]" 2
846 1 15 ILE MG 1 21 LYS H . . 4.500 4.268 3.777 4.508 0.008 14 0 "[ . 1 . 2]" 2
847 1 15 ILE MG 1 30 HIS HD2 . . 3.610 2.784 2.482 3.055 . 0 0 "[ . 1 . 2]" 2
848 1 15 ILE MG 1 21 LYS HA . . 4.500 3.756 3.505 4.008 . 0 0 "[ . 1 . 2]" 2
849 1 15 ILE MG 1 30 HIS HA . . 3.690 3.154 2.711 3.548 . 0 0 "[ . 1 . 2]" 2
850 1 15 ILE MG 1 19 THR HB . . 4.640 4.529 4.386 4.642 0.002 20 0 "[ . 1 . 2]" 2
851 1 15 ILE HA 1 15 ILE MG . . 3.240 2.328 2.206 2.455 . 0 0 "[ . 1 . 2]" 2
852 1 15 ILE MG 1 21 LYS QE . . 4.390 3.771 2.148 4.118 . 0 0 "[ . 1 . 2]" 2
853 1 15 ILE MG 1 16 MET ME . . 4.870 4.807 4.592 4.874 0.004 5 0 "[ . 1 . 2]" 2
854 1 15 ILE MG 1 21 LYS QB . . 2.960 1.996 1.907 2.177 . 0 0 "[ . 1 . 2]" 2
855 1 15 ILE MG 1 19 THR MG . . 3.390 2.153 2.060 2.242 . 0 0 "[ . 1 . 2]" 2
856 1 15 ILE HG13 1 15 ILE MG . . 3.320 3.184 3.170 3.193 . 0 0 "[ . 1 . 2]" 2
857 1 15 ILE HG12 1 15 ILE MG . . 3.240 2.280 2.171 2.383 . 0 0 "[ . 1 . 2]" 2
858 1 22 MET ME 1 23 GLU H . . 4.590 4.154 3.146 4.561 . 0 0 "[ . 1 . 2]" 2
859 1 22 MET ME 1 48 PHE QE . . 4.070 3.000 2.473 3.447 . 0 0 "[ . 1 . 2]" 2
860 1 22 MET ME 1 34 PHE QD . . 4.250 3.314 2.990 3.760 . 0 0 "[ . 1 . 2]" 2
861 1 22 MET ME 1 34 PHE QE . . 4.300 2.811 2.324 3.437 . 0 0 "[ . 1 . 2]" 2
862 1 22 MET ME 1 45 THR HA . . 4.730 3.436 2.760 4.179 . 0 0 "[ . 1 . 2]" 2
863 1 22 MET ME 1 34 PHE HB2 . . 4.930 4.755 4.530 4.941 0.011 10 0 "[ . 1 . 2]" 2
864 1 22 MET ME 1 43 ILE MG . . 5.480 4.284 3.977 4.643 . 0 0 "[ . 1 . 2]" 2
865 1 35 ILE MG 1 42 PRO HG2 . . 4.300 4.307 4.139 4.367 0.067 18 0 "[ . 1 . 2]" 2
866 1 35 ILE MG 1 41 GLN H . . 4.320 4.235 4.140 4.313 . 0 0 "[ . 1 . 2]" 2
867 1 35 ILE MG 1 36 CYS H . . 3.810 3.453 3.312 3.550 . 0 0 "[ . 1 . 2]" 2
868 1 34 PHE H 1 35 ILE MG . . 4.530 3.967 3.754 4.122 . 0 0 "[ . 1 . 2]" 2
869 1 35 ILE MG 1 41 GLN HA . . 4.560 3.109 2.871 3.206 . 0 0 "[ . 1 . 2]" 2
870 1 35 ILE HA 1 35 ILE MG . . 2.950 2.202 2.125 2.337 . 0 0 "[ . 1 . 2]" 2
871 1 35 ILE MG 1 42 PRO HA . . 3.120 2.135 1.980 2.295 . 0 0 "[ . 1 . 2]" 2
872 1 32 THR HA 1 35 ILE MG . . 3.610 3.015 2.640 3.367 . 0 0 "[ . 1 . 2]" 2
873 1 35 ILE MG 1 42 PRO HD2 . . 4.380 3.747 3.583 3.847 . 0 0 "[ . 1 . 2]" 2
874 1 35 ILE MG 1 42 PRO HD3 . . 4.380 2.482 2.291 2.655 . 0 0 "[ . 1 . 2]" 2
875 1 35 ILE MG 1 42 PRO HB2 . . 3.870 3.770 3.703 3.850 . 0 0 "[ . 1 . 2]" 2
876 1 35 ILE MG 1 42 PRO HG3 . . 3.830 3.697 3.514 3.786 . 0 0 "[ . 1 . 2]" 2
877 1 16 MET ME 1 17 PRO HD2 . . 3.800 3.268 3.002 3.459 . 0 0 "[ . 1 . 2]" 2
878 1 16 MET ME 1 16 MET HG3 . . 3.740 3.298 3.251 3.316 . 0 0 "[ . 1 . 2]" 2
879 1 16 MET ME 1 19 THR MG . . 5.500 5.079 4.618 5.332 . 0 0 "[ . 1 . 2]" 2
880 1 49 ILE H 1 49 ILE MG . . 4.530 3.779 3.753 3.800 . 0 0 "[ . 1 . 2]" 2
881 1 49 ILE MG 1 61 TYR QD . . 4.000 2.614 2.531 2.710 . 0 0 "[ . 1 . 2]" 2
882 1 49 ILE HA 1 49 ILE MG . . 3.290 2.372 2.331 2.485 . 0 0 "[ . 1 . 2]" 2
883 1 49 ILE MG 1 50 PRO HD3 . . 3.970 3.946 3.898 4.014 0.044 15 0 "[ . 1 . 2]" 2
884 1 49 ILE MG 1 56 PHE HB2 . . 4.010 3.962 3.831 4.022 0.012 16 0 "[ . 1 . 2]" 2
885 1 49 ILE MG 1 51 LYS HB2 . . 4.420 4.173 4.034 4.304 . 0 0 "[ . 1 . 2]" 2
886 1 49 ILE HG12 1 49 ILE MG . . 3.620 2.043 1.999 2.230 . 0 0 "[ . 1 . 2]" 2
887 1 49 ILE HG13 1 49 ILE MG . . 3.440 2.681 2.582 2.725 . 0 0 "[ . 1 . 2]" 2
888 1 41 GLN H 1 42 PRO HD3 . . 4.990 4.938 4.904 4.962 . 0 0 "[ . 1 . 2]" 2
889 1 41 GLN HA 1 42 PRO HD3 . . 3.510 2.268 2.259 2.275 . 0 0 "[ . 1 . 2]" 2
890 1 41 GLN HA 1 42 PRO HD2 . . 3.510 2.301 2.259 2.330 . 0 0 "[ . 1 . 2]" 2
891 1 35 ILE MD 1 37 HIS HA . . 3.950 3.351 3.275 3.473 . 0 0 "[ . 1 . 2]" 2
892 1 37 HIS HA 1 40 GLN H . . 4.710 4.156 4.014 4.320 . 0 0 "[ . 1 . 2]" 2
893 1 35 ILE HA 1 36 CYS HB2 . . 4.580 4.458 4.418 4.506 . 0 0 "[ . 1 . 2]" 2
894 1 35 ILE HA 1 42 PRO HB2 . . 4.910 4.718 4.678 4.813 . 0 0 "[ . 1 . 2]" 2
895 1 32 THR HB 1 33 CYS H . . 5.000 3.689 3.079 4.499 . 0 0 "[ . 1 . 2]" 2
896 1 32 THR HB 1 42 PRO HG3 . . 5.500 5.154 4.760 5.503 0.003 5 0 "[ . 1 . 2]" 2
897 1 15 ILE HG12 1 29 TRP HA . . 5.500 5.052 4.679 5.311 . 0 0 "[ . 1 . 2]" 2
898 1 9 GLN HB2 1 29 TRP HA . . 4.870 4.016 3.916 4.519 . 0 0 "[ . 1 . 2]" 2
899 1 10 GLU H 1 29 TRP HA . . 4.720 3.578 3.384 3.737 . 0 0 "[ . 1 . 2]" 2
900 1 15 ILE MG 1 28 SER HB3 . . 5.340 4.590 4.035 5.345 0.005 11 0 "[ . 1 . 2]" 2
901 1 28 SER HB2 1 29 TRP HE3 . . 5.500 5.056 4.780 5.373 . 0 0 "[ . 1 . 2]" 2
902 1 28 SER HB3 1 29 TRP HE3 . . 5.500 4.872 4.506 5.299 . 0 0 "[ . 1 . 2]" 2
903 1 25 LYS HB3 1 25 LYS QE . . 4.960 3.206 2.036 4.236 . 0 0 "[ . 1 . 2]" 2
904 1 20 ARG HA 1 21 LYS HA . . 5.060 4.412 4.390 4.477 . 0 0 "[ . 1 . 2]" 2
905 1 15 ILE MD 1 21 LYS HG2 . . 5.110 4.354 4.029 4.696 . 0 0 "[ . 1 . 2]" 2
906 1 21 LYS HG2 1 23 GLU HG3 . . 4.620 3.674 3.264 4.325 . 0 0 "[ . 1 . 2]" 2
907 1 21 LYS HG2 1 22 MET HA . . 5.160 4.762 4.529 5.067 . 0 0 "[ . 1 . 2]" 2
908 1 21 LYS HG2 1 22 MET H . . 4.690 4.216 4.056 4.489 . 0 0 "[ . 1 . 2]" 2
909 1 21 LYS HG2 1 29 TRP H . . 5.460 5.401 5.166 5.470 0.010 2 0 "[ . 1 . 2]" 2
910 1 21 LYS HG3 1 29 TRP H . . 5.350 3.883 3.489 4.027 . 0 0 "[ . 1 . 2]" 2
911 1 16 MET H 1 19 THR MG . . 4.880 3.159 2.768 3.677 . 0 0 "[ . 1 . 2]" 2
912 1 15 ILE HG13 1 30 HIS HD2 . . 5.240 5.037 4.701 5.244 0.004 10 0 "[ . 1 . 2]" 2
913 1 15 ILE HG13 1 30 HIS H . . 5.200 5.053 4.791 5.202 0.002 16 0 "[ . 1 . 2]" 2
914 1 14 THR HA 1 15 ILE HG12 . . 5.400 5.221 5.000 5.373 . 0 0 "[ . 1 . 2]" 2
915 1 14 THR HA 1 15 ILE MD . . 5.240 4.973 4.849 5.129 . 0 0 "[ . 1 . 2]" 2
916 1 14 THR HA 1 16 MET ME . . 4.640 4.533 4.350 4.646 0.006 8 0 "[ . 1 . 2]" 2
917 1 14 THR HB 1 16 MET HG2 . . 5.200 4.731 4.465 5.142 . 0 0 "[ . 1 . 2]" 2
918 1 13 LYS HA 1 13 LYS HG2 . . 3.920 2.705 2.253 2.956 . 0 0 "[ . 1 . 2]" 2
919 1 13 LYS HA 1 14 THR HA . . 5.500 4.323 4.312 4.357 . 0 0 "[ . 1 . 2]" 2
920 1 13 LYS HA 1 14 THR HB . . 5.500 4.807 4.684 5.105 . 0 0 "[ . 1 . 2]" 2
921 1 8 CYS HB2 1 13 LYS QB . . 5.030 4.130 3.910 4.372 . 0 0 "[ . 1 . 2]" 2
922 1 11 CYS HB2 1 13 LYS QB . . 5.330 3.958 3.735 4.094 . 0 0 "[ . 1 . 2]" 2
923 1 10 GLU HG2 1 29 TRP HE1 . . 5.490 4.829 4.629 5.131 . 0 0 "[ . 1 . 2]" 2
924 1 10 GLU HG3 1 29 TRP HE1 . . 5.490 5.334 5.039 5.499 0.009 10 0 "[ . 1 . 2]" 2
925 1 10 GLU H 1 10 GLU HG3 . . 4.720 4.568 4.501 4.601 . 0 0 "[ . 1 . 2]" 2
926 1 9 GLN HA 1 12 LYS H . . 5.500 3.646 3.478 3.855 . 0 0 "[ . 1 . 2]" 2
927 1 7 GLY HA3 1 15 ILE MD . . 4.960 4.397 4.050 4.972 0.012 6 0 "[ . 1 . 2]" 2
928 1 43 ILE HG13 1 57 CYS HB3 . . 5.500 5.459 5.362 5.517 0.017 11 0 "[ . 1 . 2]" 2
929 1 43 ILE HG13 1 44 GLY H . . 5.500 4.171 4.129 4.240 . 0 0 "[ . 1 . 2]" 2
930 1 36 CYS H 1 43 ILE HG12 . . 5.100 4.924 4.675 5.113 0.013 9 0 "[ . 1 . 2]" 2
931 1 36 CYS HB3 1 43 ILE MD . . 4.650 4.266 4.049 4.620 . 0 0 "[ . 1 . 2]" 2
932 1 36 CYS H 1 43 ILE MD . . 5.140 3.880 3.671 4.172 . 0 0 "[ . 1 . 2]" 2
933 1 43 ILE MD 1 44 GLY H . . 5.500 4.059 3.924 4.239 . 0 0 "[ . 1 . 2]" 2
934 1 43 ILE MD 1 49 ILE H . . 5.500 4.468 4.188 4.632 . 0 0 "[ . 1 . 2]" 2
935 1 44 GLY HA2 1 45 THR MG . . 4.940 3.713 3.444 4.064 . 0 0 "[ . 1 . 2]" 2
936 1 48 PHE HA 1 58 VAL HA . . 4.630 3.998 3.799 4.166 . 0 0 "[ . 1 . 2]" 2
937 1 48 PHE HB2 1 49 ILE HB . . 5.500 5.305 4.865 5.472 . 0 0 "[ . 1 . 2]" 2
938 1 48 PHE QD 1 49 ILE HA . . 4.690 4.239 3.908 4.379 . 0 0 "[ . 1 . 2]" 2
939 1 49 ILE HB 1 56 PHE H . . 4.970 4.233 4.109 4.717 . 0 0 "[ . 1 . 2]" 2
940 1 49 ILE HB 1 56 PHE QD . . 5.500 5.130 4.916 5.337 . 0 0 "[ . 1 . 2]" 2
941 1 49 ILE HG13 1 50 PRO HD2 . . 4.690 3.828 3.698 3.896 . 0 0 "[ . 1 . 2]" 2
942 1 49 ILE HG13 1 61 TYR QD . . 5.060 4.164 3.945 4.459 . 0 0 "[ . 1 . 2]" 2
943 1 49 ILE HG12 1 50 PRO HD2 . . 5.100 4.944 4.842 5.069 . 0 0 "[ . 1 . 2]" 2
944 1 49 ILE MG 1 56 PHE QD . . 4.930 4.536 4.202 4.757 . 0 0 "[ . 1 . 2]" 2
945 1 49 ILE MD 1 49 ILE MG . . 3.320 3.158 3.132 3.216 . 0 0 "[ . 1 . 2]" 2
946 1 48 PHE HB2 1 49 ILE MD . . 5.500 4.372 4.071 4.555 . 0 0 "[ . 1 . 2]" 2
947 1 49 ILE MD 1 62 GLU HG2 . . 5.500 4.001 3.067 5.213 . 0 0 "[ . 1 . 2]" 2
948 1 49 ILE MD 1 58 VAL H . . 5.500 3.562 3.412 3.999 . 0 0 "[ . 1 . 2]" 2
949 1 49 ILE MD 1 61 TYR H . . 5.230 3.746 3.493 4.115 . 0 0 "[ . 1 . 2]" 2
950 1 49 ILE MG 1 50 PRO HA . . 5.390 4.264 4.127 4.320 . 0 0 "[ . 1 . 2]" 2
951 1 50 PRO HA 1 51 LYS HA . . 4.900 4.415 4.407 4.418 . 0 0 "[ . 1 . 2]" 2
952 1 50 PRO HA 1 54 GLN H . . 5.500 5.504 5.471 5.527 0.027 15 0 "[ . 1 . 2]" 2
953 1 49 ILE MG 1 50 PRO HG3 . . 5.040 4.901 4.848 4.976 . 0 0 "[ . 1 . 2]" 2
954 1 49 ILE MG 1 51 LYS HA . . 5.110 3.845 3.769 3.910 . 0 0 "[ . 1 . 2]" 2
955 1 51 LYS HA 1 51 LYS QE . . 4.410 3.775 1.966 4.350 . 0 0 "[ . 1 . 2]" 2
956 1 51 LYS HA 1 56 PHE QD . . 5.190 4.458 4.226 4.799 . 0 0 "[ . 1 . 2]" 2
957 1 54 GLN HG2 1 56 PHE QE . . 5.220 4.337 3.998 4.625 . 0 0 "[ . 1 . 2]" 2
958 1 58 VAL HA 1 61 TYR QD . . 4.930 4.608 4.491 4.742 . 0 0 "[ . 1 . 2]" 2
959 1 58 VAL HA 1 62 GLU H . . 4.490 3.891 3.637 4.242 . 0 0 "[ . 1 . 2]" 2
960 1 58 VAL MG2 1 61 TYR QD . . 5.500 5.396 5.242 5.521 0.021 11 0 "[ . 1 . 2]" 2
961 1 48 PHE H 1 58 VAL MG2 . . 4.970 3.955 3.580 4.540 . 0 0 "[ . 1 . 2]" 2
962 1 58 VAL MG1 1 61 TYR HB3 . . 4.980 4.729 4.568 4.896 . 0 0 "[ . 1 . 2]" 2
963 1 58 VAL MG1 1 61 TYR QD . . 5.500 5.353 5.172 5.511 0.011 13 0 "[ . 1 . 2]" 2
964 1 58 VAL MG1 1 62 GLU H . . 5.130 4.271 4.032 4.473 . 0 0 "[ . 1 . 2]" 2
965 1 59 PRO HG3 1 60 CYS H . . 4.710 4.100 3.937 4.267 . 0 0 "[ . 1 . 2]" 2
966 1 58 VAL MG1 1 62 GLU HA . . 5.500 5.447 5.240 5.516 0.016 12 0 "[ . 1 . 2]" 2
967 1 61 TYR HB3 1 62 GLU HA . . 5.060 4.092 4.001 4.174 . 0 0 "[ . 1 . 2]" 2
968 1 61 TYR QE 1 62 GLU HA . . 5.500 5.128 4.705 5.500 . 0 0 "[ . 1 . 2]" 2
969 1 62 GLU HA 1 65 HIS HD2 . . 5.500 4.331 1.996 5.479 . 0 0 "[ . 1 . 2]" 2
970 1 62 GLU H 1 62 GLU HG2 . . 4.510 2.909 2.268 3.872 . 0 0 "[ . 1 . 2]" 2
971 1 63 LYS HA 1 63 LYS QE . . 5.500 4.261 1.980 4.825 . 0 0 "[ . 1 . 2]" 2
972 1 62 GLU HA 1 65 HIS HB3 . . 5.340 3.223 2.399 5.036 . 0 0 "[ . 1 . 2]" 2
973 1 62 GLU HA 1 65 HIS HB2 . . 5.340 4.213 3.478 5.380 0.040 12 0 "[ . 1 . 2]" 2
974 1 37 HIS HE1 1 55 ASN H . . 4.880 4.484 4.199 4.728 . 0 0 "[ . 1 . 2]" 2
975 1 24 TYR QD 1 25 LYS HB2 . . 4.820 2.224 2.018 2.839 . 0 0 "[ . 1 . 2]" 2
976 1 51 LYS HB2 1 61 TYR QD . . 5.070 3.709 3.462 3.868 . 0 0 "[ . 1 . 2]" 2
977 1 48 PHE QD 1 50 PRO HA . . 5.500 3.267 3.076 3.386 . 0 0 "[ . 1 . 2]" 2
978 1 49 ILE HG13 1 61 TYR QE . . 5.400 4.898 4.627 5.242 . 0 0 "[ . 1 . 2]" 2
979 1 56 PHE HB2 1 61 TYR QE . . 4.530 4.347 4.073 4.540 0.010 17 0 "[ . 1 . 2]" 2
980 1 55 ASN HA 1 56 PHE HB2 . . 4.670 4.501 4.391 4.548 . 0 0 "[ . 1 . 2]" 2
981 1 50 PRO HA 1 55 ASN HB3 . . 4.590 3.492 3.297 3.689 . 0 0 "[ . 1 . 2]" 2
982 1 38 ARG QG 1 39 CYS HB3 . . 4.600 4.256 3.694 4.596 . 0 0 "[ . 1 . 2]" 2
983 1 43 ILE HG12 1 57 CYS HB2 . . 5.140 4.828 4.678 4.890 . 0 0 "[ . 1 . 2]" 2
984 1 57 CYS HB2 1 58 VAL MG2 . . 5.130 4.943 4.848 5.030 . 0 0 "[ . 1 . 2]" 2
985 1 15 ILE HG12 1 30 HIS HE1 . . 5.270 3.157 2.778 3.586 . 0 0 "[ . 1 . 2]" 2
986 1 15 ILE HG13 1 30 HIS HE1 . . 5.060 3.648 3.301 4.107 . 0 0 "[ . 1 . 2]" 2
987 1 48 PHE QE 1 50 PRO HD2 . . 5.500 4.729 4.550 4.916 . 0 0 "[ . 1 . 2]" 2
988 1 34 PHE QE 1 48 PHE QE . . 5.500 3.008 2.661 3.343 . 0 0 "[ . 1 . 2]" 2
989 1 21 LYS HA 1 31 GLU HB2 . . 5.360 5.067 3.498 5.309 . 0 0 "[ . 1 . 2]" 2
990 1 22 MET HB2 1 31 GLU HA . . 5.340 4.989 4.732 5.252 . 0 0 "[ . 1 . 2]" 2
991 1 21 LYS HA 1 22 MET HB2 . . 4.860 4.574 4.423 4.682 . 0 0 "[ . 1 . 2]" 2
992 1 22 MET HB2 1 29 TRP H . . 4.800 3.173 3.003 3.469 . 0 0 "[ . 1 . 2]" 2
993 1 22 MET ME 1 45 THR MG . . 3.810 3.362 2.874 3.816 0.006 17 0 "[ . 1 . 2]" 2
994 1 22 MET HB3 1 22 MET ME . . 3.360 2.230 1.998 2.703 . 0 0 "[ . 1 . 2]" 2
995 1 22 MET ME 1 24 TYR HB2 . . 4.990 4.519 3.975 5.013 0.023 10 0 "[ . 1 . 2]" 2
996 1 22 MET HA 1 22 MET ME . . 4.210 3.217 2.969 3.500 . 0 0 "[ . 1 . 2]" 2
997 1 22 MET ME 1 24 TYR QD . . 5.150 4.502 3.801 5.035 . 0 0 "[ . 1 . 2]" 2
998 1 22 MET ME 1 44 GLY H . . 5.040 4.400 4.078 4.818 . 0 0 "[ . 1 . 2]" 2
999 1 22 MET H 1 22 MET ME . . 5.400 4.991 4.778 5.191 . 0 0 "[ . 1 . 2]" 2
1000 1 22 MET H 1 22 MET HG2 . . 4.780 2.943 2.542 3.219 . 0 0 "[ . 1 . 2]" 2
1001 1 22 MET HG2 1 34 PHE QD . . 5.500 4.078 3.807 4.393 . 0 0 "[ . 1 . 2]" 2
1002 1 22 MET HG3 1 34 PHE HB3 . . 4.960 2.894 2.525 3.210 . 0 0 "[ . 1 . 2]" 2
1003 1 22 MET H 1 22 MET HG3 . . 5.130 4.163 3.746 4.322 . 0 0 "[ . 1 . 2]" 2
1004 1 16 MET HA 1 17 PRO HD3 . . 3.030 2.289 2.263 2.314 . 0 0 "[ . 1 . 2]" 2
1005 1 16 MET HA 1 17 PRO HD2 . . 3.250 2.368 2.276 2.438 . 0 0 "[ . 1 . 2]" 2
1006 1 15 ILE MG 1 16 MET HA . . 5.500 4.332 4.101 4.522 . 0 0 "[ . 1 . 2]" 2
1007 1 16 MET HB3 1 17 PRO HD3 . . 3.940 3.562 3.449 3.757 . 0 0 "[ . 1 . 2]" 2
1008 1 16 MET HB2 1 17 PRO HD3 . . 4.990 4.752 4.681 4.856 . 0 0 "[ . 1 . 2]" 2
1009 1 16 MET HG3 1 17 PRO HD2 . . 4.580 4.122 3.877 4.269 . 0 0 "[ . 1 . 2]" 2
1010 1 44 GLY HA3 1 45 THR MG . . 4.940 3.827 3.643 3.971 . 0 0 "[ . 1 . 2]" 2
1011 1 35 ILE HA 1 43 ILE HB . . 5.500 4.602 4.404 4.842 . 0 0 "[ . 1 . 2]" 2
1012 1 43 ILE MG 1 57 CYS H . . 5.500 5.264 5.149 5.425 . 0 0 "[ . 1 . 2]" 2
1013 1 35 ILE H 1 42 PRO HA . . 5.500 3.957 3.809 4.143 . 0 0 "[ . 1 . 2]" 2
1014 1 35 ILE HB 1 42 PRO HA . . 4.200 3.826 3.689 3.973 . 0 0 "[ . 1 . 2]" 2
1015 1 32 THR MG 1 42 PRO HB2 . . 5.040 4.039 3.239 4.660 . 0 0 "[ . 1 . 2]" 2
1016 1 42 PRO HB2 1 44 GLY H . . 4.760 4.581 4.346 4.759 . 0 0 "[ . 1 . 2]" 2
1017 1 32 THR MG 1 42 PRO HG3 . . 5.160 3.872 3.373 4.371 . 0 0 "[ . 1 . 2]" 2
1018 1 36 CYS H 1 40 GLN HA . . 4.650 3.128 2.812 3.357 . 0 0 "[ . 1 . 2]" 2
1019 1 38 ARG HA 1 40 GLN H . . 5.190 4.233 4.096 4.361 . 0 0 "[ . 1 . 2]" 2
1020 1 38 ARG HB3 1 40 GLN H . . 5.020 4.289 4.186 4.374 . 0 0 "[ . 1 . 2]" 2
1021 1 38 ARG H 1 38 ARG HD2 . . 5.500 5.029 4.708 5.375 . 0 0 "[ . 1 . 2]" 2
1022 1 36 CYS HA 1 43 ILE HG13 . . 4.790 3.665 3.542 3.806 . 0 0 "[ . 1 . 2]" 2
1023 1 36 CYS HB2 1 56 PHE HA . . 4.680 4.496 4.375 4.625 . 0 0 "[ . 1 . 2]" 2
1024 1 35 ILE HB 1 36 CYS HB2 . . 5.210 4.568 4.458 4.684 . 0 0 "[ . 1 . 2]" 2
1025 1 35 ILE HB 1 40 GLN HB3 . . 4.510 4.105 3.842 4.289 . 0 0 "[ . 1 . 2]" 2
1026 1 35 ILE QG 1 40 GLN HB3 . . 4.540 4.371 4.008 4.518 . 0 0 "[ . 1 . 2]" 2
1027 1 35 ILE QG 1 35 ILE MG . . 2.980 2.046 1.969 2.115 . 0 0 "[ . 1 . 2]" 2
1028 1 35 ILE MD 1 35 ILE MG . . 3.280 3.165 3.111 3.188 . 0 0 "[ . 1 . 2]" 2
1029 1 34 PHE HA 1 35 ILE MG . . 5.230 4.929 4.804 5.057 . 0 0 "[ . 1 . 2]" 2
1030 1 29 TRP HB2 1 34 PHE HB2 . . 3.740 2.758 2.599 2.818 . 0 0 "[ . 1 . 2]" 2
1031 1 34 PHE QD 1 43 ILE HG13 . . 5.010 4.804 4.568 5.009 . 0 0 "[ . 1 . 2]" 2
1032 1 22 MET HG3 1 34 PHE QD . . 4.770 2.765 2.423 3.087 . 0 0 "[ . 1 . 2]" 2
1033 1 34 PHE QD 1 43 ILE H . . 5.090 4.270 4.025 4.511 . 0 0 "[ . 1 . 2]" 2
1034 1 34 PHE QE 1 48 PHE QD . . 4.790 3.722 3.531 3.916 . 0 0 "[ . 1 . 2]" 2
1035 1 24 TYR QD 1 34 PHE QE . . 5.170 3.941 2.994 4.559 . 0 0 "[ . 1 . 2]" 2
1036 1 34 PHE HZ 1 43 ILE MG . . 5.500 5.398 5.040 5.520 0.020 18 0 "[ . 1 . 2]" 2
1037 1 22 MET HB3 1 34 PHE HZ . . 4.770 4.440 4.037 4.782 0.012 8 0 "[ . 1 . 2]" 2
1038 1 29 TRP HA 1 33 CYS HB3 . . 5.180 4.145 3.925 4.551 . 0 0 "[ . 1 . 2]" 2
1039 1 33 CYS HB3 1 34 PHE H . . 4.550 3.814 3.699 3.891 . 0 0 "[ . 1 . 2]" 2
1040 1 10 GLU HB3 1 33 CYS HB2 . . 3.880 3.472 3.294 3.706 . 0 0 "[ . 1 . 2]" 2
1041 1 29 TRP HA 1 33 CYS HB2 . . 5.000 3.655 3.485 4.066 . 0 0 "[ . 1 . 2]" 2
1042 1 32 THR MG 1 33 CYS H . . 4.490 3.974 3.749 4.205 . 0 0 "[ . 1 . 2]" 2
1043 1 31 GLU H 1 32 THR MG . . 4.810 4.442 3.749 4.804 . 0 0 "[ . 1 . 2]" 2
1044 1 30 HIS HA 1 31 GLU HA . . 4.600 4.304 4.295 4.323 . 0 0 "[ . 1 . 2]" 2
1045 1 31 GLU HA 1 33 CYS H . . 5.500 4.715 3.861 5.364 . 0 0 "[ . 1 . 2]" 2
1046 1 21 LYS HA 1 31 GLU HB3 . . 4.700 3.844 3.668 4.284 . 0 0 "[ . 1 . 2]" 2
1047 1 19 THR HB 1 30 HIS HD2 . . 5.290 4.985 4.605 5.291 0.001 4 0 "[ . 1 . 2]" 2
1048 1 30 HIS HD2 1 31 GLU H . . 4.720 3.451 3.066 3.781 . 0 0 "[ . 1 . 2]" 2
1049 1 15 ILE MD 1 29 TRP HB3 . . 5.500 5.057 4.756 5.298 . 0 0 "[ . 1 . 2]" 2
1050 1 29 TRP HB2 1 34 PHE QE . . 5.500 4.077 3.813 4.528 . 0 0 "[ . 1 . 2]" 2
1051 1 9 GLN HB3 1 29 TRP HD1 . . 5.050 4.655 4.279 4.981 . 0 0 "[ . 1 . 2]" 2
1052 1 9 GLN HB2 1 29 TRP HD1 . . 5.410 4.061 3.708 5.411 0.001 14 0 "[ . 1 . 2]" 2
1053 1 22 MET HB2 1 29 TRP HE3 . . 4.320 3.908 3.558 4.324 0.004 6 0 "[ . 1 . 2]" 2
1054 1 24 TYR HB3 1 29 TRP HE3 . . 4.880 3.433 3.011 3.671 . 0 0 "[ . 1 . 2]" 2
1055 1 23 GLU HA 1 29 TRP HE3 . . 4.160 3.873 3.637 4.003 . 0 0 "[ . 1 . 2]" 2
1056 1 29 TRP HE3 1 34 PHE QD . . 4.880 3.827 3.649 4.377 . 0 0 "[ . 1 . 2]" 2
1057 1 27 SER HB3 1 29 TRP HZ3 . . 3.980 3.198 2.825 3.537 . 0 0 "[ . 1 . 2]" 2
1058 1 9 GLN HB3 1 29 TRP HH2 . . 5.500 4.643 4.056 5.015 . 0 0 "[ . 1 . 2]" 2
1059 1 27 SER HB3 1 29 TRP HH2 . . 3.840 2.989 2.689 3.355 . 0 0 "[ . 1 . 2]" 2
1060 1 22 MET HB2 1 28 SER HA . . 4.950 4.707 4.477 4.976 0.026 8 0 "[ . 1 . 2]" 2
1061 1 23 GLU HB2 1 28 SER HA . . 5.370 5.194 4.944 5.367 . 0 0 "[ . 1 . 2]" 2
1062 1 27 SER HB3 1 28 SER HA . . 5.240 4.511 4.345 4.688 . 0 0 "[ . 1 . 2]" 2
1063 1 28 SER HA 1 29 TRP HB2 . . 5.360 4.215 4.182 4.251 . 0 0 "[ . 1 . 2]" 2
1064 1 9 GLN HB3 1 27 SER HB2 . . 5.500 5.264 4.471 5.453 . 0 0 "[ . 1 . 2]" 2
1065 1 24 TYR H 1 27 SER HB3 . . 5.500 4.971 4.650 5.307 . 0 0 "[ . 1 . 2]" 2
1066 1 25 LYS HA 1 25 LYS QE . . 4.710 3.968 2.361 4.522 . 0 0 "[ . 1 . 2]" 2
1067 1 25 LYS HA 1 27 SER H . . 5.310 4.306 4.229 4.428 . 0 0 "[ . 1 . 2]" 2
1068 1 24 TYR QD 1 25 LYS HA . . 5.240 4.149 3.578 5.063 . 0 0 "[ . 1 . 2]" 2
1069 1 24 TYR QD 1 25 LYS HG2 . . 5.160 3.440 1.989 5.006 . 0 0 "[ . 1 . 2]" 2
1070 1 22 MET HB2 1 24 TYR HB2 . . 5.500 5.124 4.945 5.414 . 0 0 "[ . 1 . 2]" 2
1071 1 24 TYR H 1 24 TYR HB2 . . 3.690 3.116 3.010 3.394 . 0 0 "[ . 1 . 2]" 2
1072 1 54 GLN HG3 1 56 PHE QE . . 5.220 4.043 3.863 4.209 . 0 0 "[ . 1 . 2]" 2
1073 1 21 LYS QE 1 23 GLU HG2 . . 4.800 3.453 2.689 4.694 . 0 0 "[ . 1 . 2]" 2
1074 1 21 LYS QB 1 28 SER HB2 . . 4.610 3.709 2.810 4.540 . 0 0 "[ . 1 . 2]" 2
1075 1 21 LYS H 1 21 LYS HD3 . . 5.500 4.113 3.610 4.846 . 0 0 "[ . 1 . 2]" 2
1076 1 21 LYS H 1 21 LYS HD2 . . 5.500 4.965 4.646 5.288 . 0 0 "[ . 1 . 2]" 2
1077 1 21 LYS HD2 1 22 MET H . . 5.500 4.798 4.485 5.123 . 0 0 "[ . 1 . 2]" 2
1078 1 21 LYS HD3 1 22 MET H . . 5.500 5.256 4.033 5.495 . 0 0 "[ . 1 . 2]" 2
1079 1 20 ARG HA 1 21 LYS HG2 . . 4.570 4.195 3.951 4.511 . 0 0 "[ . 1 . 2]" 2
1080 1 16 MET ME 1 17 PRO HD3 . . 3.240 3.003 2.726 3.249 0.009 7 0 "[ . 1 . 2]" 2
1081 1 15 ILE HA 1 16 MET ME . . 4.240 4.164 3.929 4.246 0.006 13 0 "[ . 1 . 2]" 2
1082 1 15 ILE HA 1 16 MET HB2 . . 4.500 4.454 4.399 4.500 0.000 4 0 "[ . 1 . 2]" 2
1083 1 15 ILE HG12 1 30 HIS HA . . 4.620 3.623 3.253 3.851 . 0 0 "[ . 1 . 2]" 2
1084 1 15 ILE MD 1 21 LYS HA . . 5.500 4.039 3.693 4.463 . 0 0 "[ . 1 . 2]" 2
1085 1 15 ILE MD 1 30 HIS HD2 . . 5.300 4.186 3.784 4.503 . 0 0 "[ . 1 . 2]" 2
1086 1 15 ILE MD 1 30 HIS HE1 . . 5.290 4.369 3.957 4.722 . 0 0 "[ . 1 . 2]" 2
1087 1 14 THR MG 1 16 MET H . . 5.130 4.079 3.763 4.514 . 0 0 "[ . 1 . 2]" 2
1088 1 11 CYS HB3 1 12 LYS H . . 4.940 4.325 4.159 4.491 . 0 0 "[ . 1 . 2]" 2
1089 1 11 CYS HB3 1 13 LYS H . . 5.020 4.913 4.692 5.045 0.025 20 0 "[ . 1 . 2]" 2
1090 1 9 GLN HB2 1 29 TRP HZ2 . . 4.870 3.315 3.078 3.798 . 0 0 "[ . 1 . 2]" 2
1091 1 9 GLN HB3 1 29 TRP HA . . 5.500 5.486 4.587 5.560 0.060 13 0 "[ . 1 . 2]" 2
1092 1 36 CYS HB3 1 56 PHE HA . . 5.120 4.907 4.876 4.951 . 0 0 "[ . 1 . 2]" 2
1093 1 8 CYS HB3 1 15 ILE MG . . 5.500 5.465 5.331 5.536 0.036 4 0 "[ . 1 . 2]" 2
1094 1 6 SER QB 1 15 ILE H . . 5.100 4.168 3.753 4.483 . 0 0 "[ . 1 . 2]" 2
1095 1 51 LYS HD3 1 61 TYR QE . . 4.480 2.732 2.018 4.478 . 0 0 "[ . 1 . 2]" 2
1096 1 36 CYS HA 1 55 ASN HB2 . . 5.010 2.947 2.673 3.226 . 0 0 "[ . 1 . 2]" 2
1097 1 36 CYS HB2 1 55 ASN HB2 . . 5.500 5.250 4.845 5.486 . 0 0 "[ . 1 . 2]" 2
1098 1 52 ASP HB3 1 54 GLN H . . 4.950 4.942 4.877 4.959 0.009 3 0 "[ . 1 . 2]" 2
1099 1 29 TRP HA 1 30 HIS HA . . 5.270 4.351 4.326 4.367 . 0 0 "[ . 1 . 2]" 2
1100 1 30 HIS HB3 1 33 CYS HB2 . . 3.500 3.412 3.163 3.499 . 0 0 "[ . 1 . 2]" 2
1101 1 29 TRP HB3 1 33 CYS H . . 5.350 4.787 4.416 5.095 . 0 0 "[ . 1 . 2]" 2
1102 1 16 MET HA 1 17 PRO HG3 . . 4.730 4.454 4.403 4.494 . 0 0 "[ . 1 . 2]" 2
1103 1 10 GLU HG3 1 33 CYS HB3 . . 4.090 3.148 2.458 3.802 . 0 0 "[ . 1 . 2]" 2
1104 1 22 MET ME 1 34 PHE HZ . . 5.100 3.493 2.970 4.003 . 0 0 "[ . 1 . 2]" 2
1105 1 34 PHE HZ 1 48 PHE HZ . . 4.680 2.333 1.989 2.973 . 0 0 "[ . 1 . 2]" 2
1106 1 24 TYR QD 1 34 PHE HZ . . 5.270 3.819 3.145 4.493 . 0 0 "[ . 1 . 2]" 2
1107 1 36 CYS HA 1 37 HIS HD2 . . 4.370 3.516 3.165 3.710 . 0 0 "[ . 1 . 2]" 2
1108 1 36 CYS HB3 1 43 ILE HG12 . . 5.390 5.158 5.081 5.249 . 0 0 "[ . 1 . 2]" 2
1109 1 38 ARG QG 1 60 CYS HB3 . . 3.920 3.771 3.535 3.892 . 0 0 "[ . 1 . 2]" 2
1110 1 38 ARG QG 1 56 PHE QD . . 4.580 4.107 3.874 4.396 . 0 0 "[ . 1 . 2]" 2
1111 1 38 ARG QG 1 56 PHE QE . . 4.880 3.773 3.147 4.371 . 0 0 "[ . 1 . 2]" 2
1112 1 41 GLN HG2 1 42 PRO HD3 . . 5.500 4.558 3.962 5.426 . 0 0 "[ . 1 . 2]" 2
1113 1 48 PHE HB2 1 56 PHE H . . 5.170 4.492 3.925 4.724 . 0 0 "[ . 1 . 2]" 2
1114 1 48 PHE HA 1 49 ILE HA . . 5.500 4.366 4.355 4.385 . 0 0 "[ . 1 . 2]" 2
1115 1 48 PHE HA 1 49 ILE HB . . 4.830 4.590 4.545 4.644 . 0 0 "[ . 1 . 2]" 2
1116 1 24 TYR QE 1 50 PRO HG2 . . 4.660 3.421 2.911 4.404 . 0 0 "[ . 1 . 2]" 2
1117 1 24 TYR QE 1 50 PRO HG3 . . 4.060 2.782 2.001 3.832 . 0 0 "[ . 1 . 2]" 2
1118 1 49 ILE MD 1 50 PRO HD2 . . 5.110 4.835 4.612 4.912 . 0 0 "[ . 1 . 2]" 2
1119 1 49 ILE H 1 50 PRO HD2 . . 5.290 4.649 4.634 4.687 . 0 0 "[ . 1 . 2]" 2
1120 1 49 ILE MD 1 50 PRO HD3 . . 5.140 5.045 4.786 5.125 . 0 0 "[ . 1 . 2]" 2
1121 1 49 ILE HG13 1 50 PRO HD3 . . 4.890 4.614 4.540 4.669 . 0 0 "[ . 1 . 2]" 2
1122 1 49 ILE HB 1 50 PRO HD3 . . 5.330 5.123 5.118 5.132 . 0 0 "[ . 1 . 2]" 2
1123 1 49 ILE MG 1 51 LYS HB3 . . 5.500 5.440 5.325 5.509 0.009 18 0 "[ . 1 . 2]" 2
1124 1 51 LYS HB2 1 51 LYS QE . . 4.690 3.121 2.014 4.085 . 0 0 "[ . 1 . 2]" 2
1125 1 51 LYS HG2 1 61 TYR QE . . 5.230 4.769 4.431 5.092 . 0 0 "[ . 1 . 2]" 2
1126 1 51 LYS HG3 1 61 TYR QE . . 5.230 4.839 3.437 5.209 . 0 0 "[ . 1 . 2]" 2
1127 1 51 LYS H 1 51 LYS HG2 . . 5.230 4.617 4.563 4.672 . 0 0 "[ . 1 . 2]" 2
1128 1 51 LYS HA 1 51 LYS HD3 . . 4.660 3.070 2.102 4.668 0.008 11 0 "[ . 1 . 2]" 2
1129 1 52 ASP HB3 1 53 ASN HA . . 4.400 4.374 4.346 4.389 . 0 0 "[ . 1 . 2]" 2
1130 1 37 HIS HB2 1 54 GLN HA . . 5.330 5.027 4.795 5.233 . 0 0 "[ . 1 . 2]" 2
1131 1 54 GLN HA 1 56 PHE QE . . 4.830 4.725 4.505 4.832 0.002 18 0 "[ . 1 . 2]" 2
1132 1 37 HIS HB2 1 54 GLN HB2 . . 4.630 4.527 4.389 4.634 0.004 5 0 "[ . 1 . 2]" 2
1133 1 54 GLN HB2 1 55 ASN H . . 4.510 3.253 3.099 3.397 . 0 0 "[ . 1 . 2]" 2
1134 1 54 GLN HB3 1 56 PHE QE . . 3.770 2.619 2.307 2.861 . 0 0 "[ . 1 . 2]" 2
1135 1 55 ASN HA 1 56 PHE HA . . 5.500 4.412 4.395 4.481 . 0 0 "[ . 1 . 2]" 2
1136 1 56 PHE HA 1 61 TYR QD . . 5.500 5.142 4.962 5.316 . 0 0 "[ . 1 . 2]" 2
1137 1 37 HIS HB3 1 56 PHE HZ . . 4.410 2.760 2.517 3.080 . 0 0 "[ . 1 . 2]" 2
1138 1 48 PHE HB2 1 57 CYS HB3 . . 4.220 4.184 3.880 4.251 0.031 17 0 "[ . 1 . 2]" 2
1139 1 57 CYS HB3 1 60 CYS H . . 5.150 4.102 3.992 4.227 . 0 0 "[ . 1 . 2]" 2
1140 1 48 PHE HB3 1 57 CYS HA . . 5.070 3.386 2.879 3.629 . 0 0 "[ . 1 . 2]" 2
1141 1 58 VAL MG1 1 59 PRO HB2 . . 5.390 4.943 4.797 5.190 . 0 0 "[ . 1 . 2]" 2
1142 1 57 CYS HA 1 59 PRO HD3 . . 5.380 5.278 5.228 5.340 . 0 0 "[ . 1 . 2]" 2
1143 1 57 CYS HB2 1 59 PRO HD3 . . 3.850 3.768 3.710 3.871 0.021 19 0 "[ . 1 . 2]" 2
1144 1 38 ARG QG 1 60 CYS HB2 . . 5.290 5.203 4.899 5.302 0.012 10 0 "[ . 1 . 2]" 2
1145 1 56 PHE HA 1 60 CYS HB2 . . 5.260 3.423 3.320 3.512 . 0 0 "[ . 1 . 2]" 2
1146 1 49 ILE HG12 1 61 TYR HB3 . . 4.840 3.500 3.359 3.659 . 0 0 "[ . 1 . 2]" 2
1147 1 49 ILE HG12 1 61 TYR HB2 . . 5.070 4.198 3.983 4.371 . 0 0 "[ . 1 . 2]" 2
1148 1 56 PHE HB3 1 61 TYR HB3 . . 4.580 4.257 3.924 4.487 . 0 0 "[ . 1 . 2]" 2
1149 1 38 ARG HD2 1 63 LYS QB . . 5.300 3.821 3.312 4.372 . 0 0 "[ . 1 . 2]" 2
1150 1 38 ARG HD3 1 63 LYS QB . . 5.300 3.674 3.215 4.336 . 0 0 "[ . 1 . 2]" 2
1151 1 60 CYS HA 1 63 LYS HD2 . . 4.640 3.369 2.134 4.655 0.015 12 0 "[ . 1 . 2]" 2
1152 1 63 LYS HA 1 63 LYS HD2 . . 4.970 4.238 2.105 4.917 . 0 0 "[ . 1 . 2]" 2
1153 1 63 LYS HA 1 63 LYS HD3 . . 4.970 4.322 3.605 4.845 . 0 0 "[ . 1 . 2]" 2
1154 1 46 LYS HA 1 48 PHE QD . . 5.500 5.163 4.920 5.501 0.001 17 0 "[ . 1 . 2]" 2
1155 1 48 PHE HB2 1 49 ILE H . . 3.650 2.938 2.473 3.069 . 0 0 "[ . 1 . 2]" 2
1156 1 34 PHE HZ 1 43 ILE MD . . 5.410 4.495 4.209 4.818 . 0 0 "[ . 1 . 2]" 2
1157 1 43 ILE MD 1 56 PHE HA . . 4.740 3.524 3.349 3.729 . 0 0 "[ . 1 . 2]" 2
1158 1 36 CYS HB2 1 43 ILE MD . . 3.920 2.943 2.748 3.331 . 0 0 "[ . 1 . 2]" 2
1159 1 6 SER QB 1 28 SER QB . . 3.950 3.346 2.544 3.729 . 0 0 "[ . 1 . 2]" 2
1160 1 7 GLY QA 1 8 CYS H . . 2.760 2.160 2.111 2.266 . 0 0 "[ . 1 . 2]" 2
1161 1 7 GLY QA 1 8 CYS HB3 . . 4.520 4.309 4.253 4.409 . 0 0 "[ . 1 . 2]" 2
1162 1 7 GLY QA 1 14 THR H . . 5.340 4.457 4.222 4.850 . 0 0 "[ . 1 . 2]" 2
1163 1 7 GLY QA 1 14 THR HA . . 3.820 2.258 1.985 2.581 . 0 0 "[ . 1 . 2]" 2
1164 1 7 GLY QA 1 15 ILE H . . 3.880 2.149 1.890 2.450 . 0 0 "[ . 1 . 2]" 2
1165 1 7 GLY QA 1 15 ILE HB . . 5.030 3.742 3.337 4.180 . 0 0 "[ . 1 . 2]" 2
1166 1 7 GLY QA 1 15 ILE HG12 . . 5.320 4.527 4.232 4.753 . 0 0 "[ . 1 . 2]" 2
1167 1 7 GLY QA 1 15 ILE HG13 . . 4.630 2.885 2.580 3.117 . 0 0 "[ . 1 . 2]" 2
1168 1 7 GLY QA 1 15 ILE MD . . 4.340 3.434 3.051 3.962 . 0 0 "[ . 1 . 2]" 2
1169 1 8 CYS HB3 1 13 LYS QG . . 5.310 4.338 4.124 4.488 . 0 0 "[ . 1 . 2]" 2
1170 1 9 GLN HA 1 9 GLN QE . . 4.920 3.195 1.975 4.594 . 0 0 "[ . 1 . 2]" 2
1171 1 9 GLN QG 1 27 SER H . . 5.340 4.977 4.757 5.313 . 0 0 "[ . 1 . 2]" 2
1172 1 9 GLN QG 1 27 SER HB2 . . 3.970 3.145 2.942 3.382 . 0 0 "[ . 1 . 2]" 2
1173 1 9 GLN QG 1 28 SER H . . 4.060 3.106 2.332 4.019 . 0 0 "[ . 1 . 2]" 2
1174 1 9 GLN QG 1 29 TRP HZ2 . . 3.540 3.055 2.732 3.503 . 0 0 "[ . 1 . 2]" 2
1175 1 9 GLN QG 1 29 TRP HH2 . . 4.880 3.292 2.907 3.865 . 0 0 "[ . 1 . 2]" 2
1176 1 9 GLN QE 1 27 SER HB3 . . 4.730 3.557 1.884 4.455 . 0 0 "[ . 1 . 2]" 2
1177 1 10 GLU H 1 10 GLU QG . . 4.150 4.010 3.916 4.052 . 0 0 "[ . 1 . 2]" 2
1178 1 10 GLU QG 1 11 CYS HA . . 4.800 4.455 4.085 4.760 . 0 0 "[ . 1 . 2]" 2
1179 1 10 GLU QG 1 29 TRP HD1 . . 4.070 3.545 3.301 3.799 . 0 0 "[ . 1 . 2]" 2
1180 1 10 GLU QG 1 29 TRP HE1 . . 4.680 4.484 4.288 4.670 . 0 0 "[ . 1 . 2]" 2
1181 1 10 GLU QG 1 33 CYS HA . . 4.030 2.940 2.763 3.055 . 0 0 "[ . 1 . 2]" 2
1182 1 10 GLU QG 1 33 CYS HB3 . . 3.520 2.424 2.190 2.591 . 0 0 "[ . 1 . 2]" 2
1183 1 10 GLU QG 1 35 ILE QG . . 4.730 4.105 3.925 4.224 . 0 0 "[ . 1 . 2]" 2
1184 1 10 GLU QG 1 35 ILE MD . . 4.560 4.557 4.407 4.612 0.052 6 0 "[ . 1 . 2]" 2
1185 1 11 CYS HB2 1 13 LYS QG . . 3.710 2.508 2.228 2.650 . 0 0 "[ . 1 . 2]" 2
1186 1 11 CYS HB3 1 13 LYS QG . . 4.220 3.777 3.667 3.923 . 0 0 "[ . 1 . 2]" 2
1187 1 12 LYS H 1 12 LYS QG . . 3.740 2.873 2.518 3.442 . 0 0 "[ . 1 . 2]" 2
1188 1 12 LYS H 1 12 LYS QD . . 3.480 3.112 2.206 3.485 0.005 10 0 "[ . 1 . 2]" 2
1189 1 12 LYS H 1 12 LYS QE . . 5.290 4.831 4.057 5.284 . 0 0 "[ . 1 . 2]" 2
1190 1 12 LYS HA 1 12 LYS QG . . 3.470 2.683 2.182 2.922 . 0 0 "[ . 1 . 2]" 2
1191 1 12 LYS HA 1 12 LYS QD . . 3.140 2.371 1.982 3.169 0.029 5 0 "[ . 1 . 2]" 2
1192 1 12 LYS QB 1 12 LYS QD . . 2.920 2.307 2.101 2.513 . 0 0 "[ . 1 . 2]" 2
1193 1 12 LYS QB 1 12 LYS QE . . 4.340 3.006 2.211 3.749 . 0 0 "[ . 1 . 2]" 2
1194 1 12 LYS QD 1 12 LYS QG . . 2.350 2.054 2.027 2.092 . 0 0 "[ . 1 . 2]" 2
1195 1 12 LYS QE 1 12 LYS QG . . 2.860 2.158 2.034 2.328 . 0 0 "[ . 1 . 2]" 2
1196 1 13 LYS H 1 13 LYS QG . . 3.440 2.852 2.677 3.105 . 0 0 "[ . 1 . 2]" 2
1197 1 13 LYS HA 1 13 LYS QG . . 3.410 2.641 2.216 2.857 . 0 0 "[ . 1 . 2]" 2
1198 1 13 LYS QE 1 13 LYS QG . . 2.830 2.246 2.039 2.552 . 0 0 "[ . 1 . 2]" 2
1199 1 13 LYS QG 1 14 THR H . . 4.870 4.332 3.725 4.562 . 0 0 "[ . 1 . 2]" 2
1200 1 13 LYS QG 1 30 HIS HE1 . . 4.210 3.911 3.654 4.208 . 0 0 "[ . 1 . 2]" 2
1201 1 15 ILE H 1 21 LYS QD . . 5.340 5.133 4.747 5.347 0.007 13 0 "[ . 1 . 2]" 2
1202 1 15 ILE MG 1 21 LYS QD . . 3.730 2.124 1.839 2.977 . 0 0 "[ . 1 . 2]" 2
1203 1 15 ILE MG 1 28 SER QB . . 4.650 3.978 3.726 4.309 . 0 0 "[ . 1 . 2]" 2
1204 1 15 ILE MD 1 21 LYS QD . . 3.220 2.381 1.928 2.773 . 0 0 "[ . 1 . 2]" 2
1205 1 16 MET HA 1 17 PRO QG . . 4.130 3.982 3.926 4.025 . 0 0 "[ . 1 . 2]" 2
1206 1 18 GLY QA 1 19 THR MG . . 4.790 4.209 4.019 4.347 . 0 0 "[ . 1 . 2]" 2
1207 1 19 THR HA 1 20 ARG QG . . 3.920 3.724 3.407 3.975 0.055 14 0 "[ . 1 . 2]" 2
1208 1 20 ARG H 1 20 ARG QG . . 3.330 2.299 1.870 2.799 . 0 0 "[ . 1 . 2]" 2
1209 1 20 ARG QB 1 20 ARG QD . . 3.440 2.214 1.988 2.594 . 0 0 "[ . 1 . 2]" 2
1210 1 21 LYS H 1 21 LYS QD . . 4.810 3.919 3.492 4.407 . 0 0 "[ . 1 . 2]" 2
1211 1 21 LYS QB 1 28 SER QB . . 4.010 2.792 2.461 3.435 . 0 0 "[ . 1 . 2]" 2
1212 1 21 LYS HG2 1 28 SER QB . . 5.000 4.294 3.993 4.917 . 0 0 "[ . 1 . 2]" 2
1213 1 21 LYS HG3 1 28 SER QB . . 4.390 2.927 2.586 3.583 . 0 0 "[ . 1 . 2]" 2
1214 1 21 LYS QD 1 22 MET H . . 4.800 4.435 3.796 4.709 . 0 0 "[ . 1 . 2]" 2
1215 1 21 LYS QD 1 23 GLU HG2 . . 4.370 3.925 2.892 4.308 . 0 0 "[ . 1 . 2]" 2
1216 1 21 LYS QD 1 23 GLU HG3 . . 5.030 3.784 1.962 4.828 . 0 0 "[ . 1 . 2]" 2
1217 1 21 LYS QD 1 28 SER QB . . 3.330 2.326 1.877 2.801 . 0 0 "[ . 1 . 2]" 2
1218 1 21 LYS QE 1 28 SER QB . . 4.280 3.614 2.975 4.199 . 0 0 "[ . 1 . 2]" 2
1219 1 22 MET H 1 28 SER QB . . 5.100 3.842 3.566 4.643 . 0 0 "[ . 1 . 2]" 2
1220 1 22 MET ME 1 44 GLY QA . . 4.190 4.105 3.850 4.198 0.008 12 0 "[ . 1 . 2]" 2
1221 1 23 GLU HA 1 28 SER QB . . 4.450 3.555 3.056 3.927 . 0 0 "[ . 1 . 2]" 2
1222 1 23 GLU HG2 1 28 SER QB . . 3.930 3.160 2.413 3.782 . 0 0 "[ . 1 . 2]" 2
1223 1 24 TYR H 1 28 SER QB . . 5.340 4.798 4.470 5.074 . 0 0 "[ . 1 . 2]" 2
1224 1 24 TYR HB2 1 25 LYS QB . . 5.340 5.090 4.876 5.280 . 0 0 "[ . 1 . 2]" 2
1225 1 24 TYR QD 1 25 LYS QB . . 4.090 2.203 2.009 2.810 . 0 0 "[ . 1 . 2]" 2
1226 1 24 TYR QD 1 25 LYS QG . . 4.300 2.569 1.915 4.257 . 0 0 "[ . 1 . 2]" 2
1227 1 24 TYR QE 1 25 LYS QB . . 3.870 3.560 2.266 3.871 0.001 17 0 "[ . 1 . 2]" 2
1228 1 24 TYR QE 1 25 LYS QG . . 4.050 2.414 1.927 3.627 . 0 0 "[ . 1 . 2]" 2
1229 1 25 LYS HA 1 25 LYS QG . . 3.060 2.391 2.127 2.743 . 0 0 "[ . 1 . 2]" 2
1230 1 25 LYS QB 1 25 LYS QE . . 4.140 2.959 2.021 3.771 . 0 0 "[ . 1 . 2]" 2
1231 1 25 LYS QB 1 27 SER H . . 5.060 3.269 3.107 3.341 . 0 0 "[ . 1 . 2]" 2
1232 1 25 LYS QE 1 25 LYS QG . . 3.140 2.214 2.063 2.671 . 0 0 "[ . 1 . 2]" 2
1233 1 26 GLY QA 1 27 SER H . . 3.100 2.737 2.668 2.800 . 0 0 "[ . 1 . 2]" 2
1234 1 28 SER H 1 28 SER QB . . 3.180 2.765 2.551 3.136 . 0 0 "[ . 1 . 2]" 2
1235 1 28 SER QB 1 29 TRP H . . 3.040 2.586 2.469 3.060 0.020 14 0 "[ . 1 . 2]" 2
1236 1 28 SER QB 1 29 TRP HE3 . . 4.650 4.401 4.185 4.617 . 0 0 "[ . 1 . 2]" 2
1237 1 28 SER QB 1 30 HIS H . . 5.340 5.021 4.890 5.226 . 0 0 "[ . 1 . 2]" 2
1238 1 31 GLU H 1 31 GLU QG . . 3.540 2.472 2.218 3.670 0.130 8 0 "[ . 1 . 2]" 2
1239 1 31 GLU HA 1 31 GLU QG . . 3.440 3.306 2.786 3.338 . 0 0 "[ . 1 . 2]" 2
1240 1 31 GLU QG 1 32 THR HA . . 3.890 3.484 3.371 3.634 . 0 0 "[ . 1 . 2]" 2
1241 1 31 GLU QG 1 32 THR HB . . 4.750 4.402 4.299 4.511 . 0 0 "[ . 1 . 2]" 2
1242 1 31 GLU QG 1 32 THR MG . . 3.080 2.015 1.893 2.147 . 0 0 "[ . 1 . 2]" 2
1243 1 31 GLU QG 1 33 CYS H . . 5.210 4.382 4.162 4.669 . 0 0 "[ . 1 . 2]" 2
1244 1 34 PHE QD 1 44 GLY QA . . 5.070 4.052 3.593 4.364 . 0 0 "[ . 1 . 2]" 2
1245 1 35 ILE MG 1 42 PRO QD . . 3.720 2.448 2.267 2.610 . 0 0 "[ . 1 . 2]" 2
1246 1 35 ILE MD 1 40 GLN QG . . 3.510 3.195 2.487 3.514 0.004 2 0 "[ . 1 . 2]" 2
1247 1 35 ILE MD 1 40 GLN QE . . 5.280 3.266 2.194 4.570 . 0 0 "[ . 1 . 2]" 2
1248 1 36 CYS HB2 1 41 GLN QB . . 4.400 3.461 3.261 3.653 . 0 0 "[ . 1 . 2]" 2
1249 1 37 HIS HA 1 40 GLN QG . . 5.340 3.742 3.329 4.703 . 0 0 "[ . 1 . 2]" 2
1250 1 37 HIS HA 1 40 GLN QE . . 4.280 2.819 2.103 3.501 . 0 0 "[ . 1 . 2]" 2
1251 1 37 HIS HB3 1 40 GLN QE . . 5.170 4.458 4.114 4.751 . 0 0 "[ . 1 . 2]" 2
1252 1 37 HIS HE1 1 54 GLN QG . . 4.680 2.353 1.985 2.791 . 0 0 "[ . 1 . 2]" 2
1253 1 38 ARG H 1 38 ARG QD . . 4.830 4.534 4.439 4.607 . 0 0 "[ . 1 . 2]" 2
1254 1 38 ARG HA 1 38 ARG QD . . 4.240 3.847 3.669 3.996 . 0 0 "[ . 1 . 2]" 2
1255 1 38 ARG HA 1 40 GLN QE . . 4.960 3.875 2.534 4.967 0.007 6 0 "[ . 1 . 2]" 2
1256 1 38 ARG QD 1 39 CYS H . . 5.340 4.421 3.998 4.663 . 0 0 "[ . 1 . 2]" 2
1257 1 38 ARG QD 1 56 PHE QD . . 3.860 3.097 2.413 3.446 . 0 0 "[ . 1 . 2]" 2
1258 1 38 ARG QD 1 56 PHE QE . . 4.830 3.584 2.531 4.213 . 0 0 "[ . 1 . 2]" 2
1259 1 38 ARG QD 1 60 CYS HB3 . . 3.530 2.252 2.062 2.461 . 0 0 "[ . 1 . 2]" 2
1260 1 38 ARG QD 1 61 TYR H . . 5.340 4.766 4.566 4.932 . 0 0 "[ . 1 . 2]" 2
1261 1 38 ARG QD 1 63 LYS QB . . 4.470 3.310 2.994 3.614 . 0 0 "[ . 1 . 2]" 2
1262 1 38 ARG QD 1 64 GLN QB . . 5.040 4.205 2.431 5.046 0.006 17 0 "[ . 1 . 2]" 2
1263 1 38 ARG QD 1 64 GLN QG . . 4.710 3.707 2.733 4.714 0.004 11 0 "[ . 1 . 2]" 2
1264 1 39 CYS HB2 1 41 GLN QG . . 3.830 2.476 2.175 2.815 . 0 0 "[ . 1 . 2]" 2
1265 1 39 CYS HB3 1 41 GLN QG . . 4.430 3.987 3.641 4.283 . 0 0 "[ . 1 . 2]" 2
1266 1 40 GLN H 1 40 GLN QG . . 3.680 2.987 2.653 3.366 . 0 0 "[ . 1 . 2]" 2
1267 1 40 GLN H 1 40 GLN QE . . 4.680 3.638 1.802 4.233 . 0 0 "[ . 1 . 2]" 2
1268 1 40 GLN HA 1 40 GLN QG . . 3.040 2.504 2.181 3.117 0.077 6 0 "[ . 1 . 2]" 2
1269 1 40 GLN HA 1 40 GLN QE . . 4.020 3.479 2.695 4.029 0.009 4 0 "[ . 1 . 2]" 2
1270 1 41 GLN H 1 41 GLN QB . . 2.950 2.489 2.430 2.562 . 0 0 "[ . 1 . 2]" 2
1271 1 41 GLN H 1 41 GLN QG . . 3.160 2.984 2.831 3.165 0.005 18 0 "[ . 1 . 2]" 2
1272 1 41 GLN HA 1 41 GLN QG . . 3.710 2.570 2.266 3.056 . 0 0 "[ . 1 . 2]" 2
1273 1 41 GLN HA 1 42 PRO QD . . 2.950 2.035 2.013 2.050 . 0 0 "[ . 1 . 2]" 2
1274 1 41 GLN QB 1 42 PRO QD . . 3.100 2.230 2.128 2.354 . 0 0 "[ . 1 . 2]" 2
1275 1 41 GLN QG 1 42 PRO QD . . 3.900 3.353 2.958 3.762 . 0 0 "[ . 1 . 2]" 2
1276 1 43 ILE MG 1 46 LYS QG . . 4.400 2.240 1.793 4.116 . 0 0 "[ . 1 . 2]" 2
1277 1 43 ILE MG 1 46 LYS QE . . 4.840 3.488 1.956 4.811 . 0 0 "[ . 1 . 2]" 2
1278 1 43 ILE MD 1 55 ASN QD . . 4.890 4.189 3.870 4.527 . 0 0 "[ . 1 . 2]" 2
1279 1 44 GLY QA 1 45 THR MG . . 4.320 3.352 3.180 3.552 . 0 0 "[ . 1 . 2]" 2
1280 1 44 GLY QA 1 46 LYS H . . 4.690 4.117 3.677 4.700 0.010 13 0 "[ . 1 . 2]" 2
1281 1 45 THR H 1 46 LYS QG . . 5.210 4.027 3.432 4.493 . 0 0 "[ . 1 . 2]" 2
1282 1 46 LYS H 1 46 LYS QG . . 3.350 2.525 2.047 2.951 . 0 0 "[ . 1 . 2]" 2
1283 1 46 LYS H 1 46 LYS QD . . 4.890 4.120 3.537 4.711 . 0 0 "[ . 1 . 2]" 2
1284 1 46 LYS HA 1 46 LYS QG . . 3.430 3.155 2.277 3.418 . 0 0 "[ . 1 . 2]" 2
1285 1 46 LYS HA 1 46 LYS QD . . 4.440 4.023 1.981 4.391 . 0 0 "[ . 1 . 2]" 2
1286 1 46 LYS HA 1 47 SER QB . . 4.730 4.511 4.216 4.709 . 0 0 "[ . 1 . 2]" 2
1287 1 46 LYS QB 1 46 LYS QE . . 3.810 2.714 1.995 3.483 . 0 0 "[ . 1 . 2]" 2
1288 1 46 LYS QE 1 46 LYS QG . . 3.180 2.226 2.087 2.612 . 0 0 "[ . 1 . 2]" 2
1289 1 46 LYS QG 1 47 SER H . . 4.070 3.400 2.882 4.049 . 0 0 "[ . 1 . 2]" 2
1290 1 46 LYS QG 1 58 VAL MG2 . . 5.330 4.885 4.347 5.374 0.044 18 0 "[ . 1 . 2]" 2
1291 1 47 SER H 1 47 SER QB . . 3.160 2.382 2.144 2.661 . 0 0 "[ . 1 . 2]" 2
1292 1 47 SER QB 1 48 PHE H . . 3.940 3.636 3.303 3.987 0.047 18 0 "[ . 1 . 2]" 2
1293 1 48 PHE QE 1 50 PRO QB . . 3.770 2.147 1.985 2.268 . 0 0 "[ . 1 . 2]" 2
1294 1 50 PRO QB 1 51 LYS H . . 3.650 3.482 3.436 3.498 . 0 0 "[ . 1 . 2]" 2
1295 1 50 PRO QB 1 55 ASN HA . . 4.390 4.269 4.041 4.335 . 0 0 "[ . 1 . 2]" 2
1296 1 51 LYS H 1 51 LYS QG . . 4.440 4.006 3.976 4.070 . 0 0 "[ . 1 . 2]" 2
1297 1 51 LYS HA 1 51 LYS QG . . 3.150 2.777 2.264 2.941 . 0 0 "[ . 1 . 2]" 2
1298 1 51 LYS HA 1 51 LYS QD . . 4.020 2.547 2.089 4.056 0.036 11 0 "[ . 1 . 2]" 2
1299 1 51 LYS QE 1 51 LYS QG . . 3.160 2.227 2.066 2.638 . 0 0 "[ . 1 . 2]" 2
1300 1 51 LYS QG 1 54 GLN H . . 3.890 2.963 2.744 3.331 . 0 0 "[ . 1 . 2]" 2
1301 1 51 LYS QG 1 61 TYR QE . . 4.570 4.235 3.375 4.535 . 0 0 "[ . 1 . 2]" 2
1302 1 51 LYS QD 1 56 PHE QD . . 5.210 3.525 2.822 4.291 . 0 0 "[ . 1 . 2]" 2
1303 1 51 LYS QD 1 56 PHE QE . . 4.230 3.590 1.983 4.236 0.006 19 0 "[ . 1 . 2]" 2
1304 1 51 LYS QD 1 61 TYR QD . . 5.330 3.880 3.131 4.629 . 0 0 "[ . 1 . 2]" 2
1305 1 51 LYS QD 1 61 TYR QE . . 3.910 2.484 1.967 3.930 0.020 11 0 "[ . 1 . 2]" 2
1306 1 53 ASN QB 1 54 GLN QG . . 4.660 3.026 2.787 3.749 . 0 0 "[ . 1 . 2]" 2
1307 1 54 GLN H 1 54 GLN QG . . 3.550 3.129 2.999 3.245 . 0 0 "[ . 1 . 2]" 2
1308 1 54 GLN HA 1 54 GLN QG . . 2.970 2.466 2.382 2.539 . 0 0 "[ . 1 . 2]" 2
1309 1 54 GLN QG 1 56 PHE QE . . 4.490 3.712 3.597 3.854 . 0 0 "[ . 1 . 2]" 2
1310 1 54 GLN QG 1 56 PHE HZ . . 5.340 4.420 4.194 4.839 . 0 0 "[ . 1 . 2]" 2
1311 1 55 ASN HB2 1 55 ASN QD . . 3.280 2.741 2.095 3.278 . 0 0 "[ . 1 . 2]" 2
1312 1 55 ASN HB3 1 55 ASN QD . . 3.460 2.597 2.108 3.304 . 0 0 "[ . 1 . 2]" 2
1313 1 56 PHE QD 1 64 GLN QB . . 5.030 4.529 3.421 5.012 . 0 0 "[ . 1 . 2]" 2
1314 1 56 PHE QD 1 64 GLN QG . . 4.790 3.938 3.078 4.668 . 0 0 "[ . 1 . 2]" 2
1315 1 57 CYS HB2 1 59 PRO QG . . 4.250 2.526 2.473 2.616 . 0 0 "[ . 1 . 2]" 2
1316 1 57 CYS HB3 1 59 PRO QG . . 4.040 3.489 3.447 3.554 . 0 0 "[ . 1 . 2]" 2
1317 1 58 VAL H 1 59 PRO QG . . 5.060 3.814 3.799 3.827 . 0 0 "[ . 1 . 2]" 2
1318 1 58 VAL MG1 1 59 PRO QG . . 4.910 4.163 4.027 4.361 . 0 0 "[ . 1 . 2]" 2
1319 1 58 VAL MG1 1 62 GLU QG . . 3.650 2.776 2.338 3.188 . 0 0 "[ . 1 . 2]" 2
1320 1 59 PRO HA 1 62 GLU QG . . 4.490 3.854 3.330 4.239 . 0 0 "[ . 1 . 2]" 2
1321 1 59 PRO QG 1 60 CYS H . . 3.970 2.632 2.423 2.843 . 0 0 "[ . 1 . 2]" 2
1322 1 60 CYS HA 1 63 LYS QG . . 3.850 3.549 2.321 3.863 0.013 19 0 "[ . 1 . 2]" 2
1323 1 61 TYR HA 1 64 GLN QB . . 4.300 3.057 2.329 4.306 0.006 15 0 "[ . 1 . 2]" 2
1324 1 61 TYR HA 1 64 GLN QG . . 4.010 3.266 1.940 4.033 0.023 12 0 "[ . 1 . 2]" 2
1325 1 61 TYR QD 1 62 GLU QG . . 4.570 3.946 3.437 4.582 0.012 12 0 "[ . 1 . 2]" 2
1326 1 61 TYR QD 1 64 GLN QG . . 5.340 4.144 3.154 5.080 . 0 0 "[ . 1 . 2]" 2
1327 1 61 TYR QE 1 65 HIS QB . . 4.620 3.618 2.589 4.613 . 0 0 "[ . 1 . 2]" 2
1328 1 62 GLU H 1 62 GLU QG . . 3.780 2.603 2.246 3.503 . 0 0 "[ . 1 . 2]" 2
1329 1 62 GLU HA 1 62 GLU QG . . 3.170 2.608 2.135 2.948 . 0 0 "[ . 1 . 2]" 2
1330 1 62 GLU HA 1 65 HIS QB . . 4.530 3.056 2.373 4.474 . 0 0 "[ . 1 . 2]" 2
1331 1 63 LYS H 1 63 LYS QG . . 3.520 2.575 2.108 3.472 . 0 0 "[ . 1 . 2]" 2
1332 1 63 LYS HA 1 63 LYS QD . . 4.190 3.749 2.091 4.194 0.004 10 0 "[ . 1 . 2]" 2
1333 1 63 LYS QB 1 63 LYS QD . . 3.300 2.204 2.083 2.885 . 0 0 "[ . 1 . 2]" 2
1334 1 64 GLN H 1 64 GLN QB . . 3.620 2.343 2.132 2.600 . 0 0 "[ . 1 . 2]" 2
1335 1 64 GLN H 1 64 GLN QG . . 4.260 2.747 1.890 4.058 . 0 0 "[ . 1 . 2]" 2
1336 1 64 GLN HA 1 64 GLN QG . . 3.600 2.757 2.124 3.451 . 0 0 "[ . 1 . 2]" 2
1337 1 68 GLY QA 1 69 PRO QD . . 2.950 2.024 1.858 2.332 . 0 0 "[ . 1 . 2]" 2
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