NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506684 |
2ctd   |
11130 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ctd
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 25
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 12.296
_Distance_constraint_stats_list.Viol_max 0.014
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0036
_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 37 CYS 0.056 0.006 12 0 "[ . 1 . 2]"
1 40 CYS 0.016 0.004 20 0 "[ . 1 . 2]"
1 54 HIS 0.015 0.004 20 0 "[ . 1 . 2]"
1 58 CYS 0.051 0.007 10 0 "[ . 1 . 2]"
1 65 CYS 0.192 0.012 18 0 "[ . 1 . 2]"
1 68 CYS 0.130 0.012 12 0 "[ . 1 . 2]"
1 81 HIS 0.156 0.014 9 0 "[ . 1 . 2]"
1 86 HIS 0.160 0.014 9 0 "[ . 1 . 2]"
2 1 ZN 0.080 0.007 10 0 "[ . 1 . 2]"
3 1 ZN 0.376 0.012 18 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 37 CYS SG 2 1 ZN ZN . 2.330 2.370 2.363 2.328 2.372 0.002 18 0 "[ . 1 . 2]" 1
2 1 40 CYS SG 2 1 ZN ZN . 2.330 2.370 2.344 2.329 2.371 0.001 12 0 "[ . 1 . 2]" 1
3 1 54 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.336 2.328 2.364 0.002 12 0 "[ . 1 . 2]" 1
4 1 58 CYS SG 2 1 ZN ZN . 2.330 2.370 2.333 2.323 2.368 0.007 10 0 "[ . 1 . 2]" 1
5 1 37 CYS CB 2 1 ZN ZN . 3.250 3.510 3.250 3.245 3.257 0.005 10 0 "[ . 1 . 2]" 1
6 1 40 CYS CB 2 1 ZN ZN . 3.250 3.510 3.402 3.250 3.501 0.000 11 0 "[ . 1 . 2]" 1
7 1 58 CYS CB 2 1 ZN ZN . 3.250 3.510 3.350 3.245 3.513 0.005 20 0 "[ . 1 . 2]" 1
8 1 37 CYS SG 1 40 CYS SG . 3.200 4.000 3.532 3.250 3.904 . 0 0 "[ . 1 . 2]" 1
9 1 37 CYS SG 1 54 HIS NE2 . 3.200 4.000 3.591 3.227 3.967 . 0 0 "[ . 1 . 2]" 1
10 1 37 CYS SG 1 58 CYS SG . 3.200 4.000 3.990 3.932 4.006 0.006 12 0 "[ . 1 . 2]" 1
11 1 40 CYS SG 1 54 HIS NE2 . 3.200 4.000 3.949 3.809 4.004 0.004 20 0 "[ . 1 . 2]" 1
12 1 40 CYS SG 1 58 CYS SG . 3.200 4.000 3.909 3.604 4.002 0.002 7 0 "[ . 1 . 2]" 1
13 1 54 HIS NE2 1 58 CYS SG . 3.200 4.000 3.870 3.463 4.002 0.002 18 0 "[ . 1 . 2]" 1
14 1 65 CYS SG 3 1 ZN ZN . 2.330 2.370 2.370 2.346 2.380 0.010 12 0 "[ . 1 . 2]" 1
15 1 68 CYS SG 3 1 ZN ZN . 2.330 2.370 2.336 2.319 2.375 0.011 5 0 "[ . 1 . 2]" 1
16 1 81 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.365 2.323 2.380 0.010 12 0 "[ . 1 . 2]" 1
17 1 86 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.330 2.320 2.354 0.010 9 0 "[ . 1 . 2]" 1
18 1 65 CYS CB 3 1 ZN ZN . 3.250 3.510 3.247 3.238 3.273 0.012 18 0 "[ . 1 . 2]" 1
19 1 68 CYS CB 3 1 ZN ZN . 3.250 3.510 3.497 3.443 3.522 0.012 12 0 "[ . 1 . 2]" 1
20 1 65 CYS SG 1 68 CYS SG . 3.200 4.000 3.756 3.612 3.928 . 0 0 "[ . 1 . 2]" 1
21 1 65 CYS SG 1 81 HIS NE2 . 3.200 4.000 3.620 3.470 3.735 . 0 0 "[ . 1 . 2]" 1
22 1 65 CYS SG 1 86 HIS NE2 . 3.200 4.000 3.952 3.762 4.006 0.006 13 0 "[ . 1 . 2]" 1
23 1 68 CYS SG 1 81 HIS NE2 . 3.200 4.000 3.978 3.886 4.006 0.006 5 0 "[ . 1 . 2]" 1
24 1 68 CYS SG 1 86 HIS NE2 . 3.200 4.000 3.670 3.440 3.921 . 0 0 "[ . 1 . 2]" 1
25 1 81 HIS NE2 1 86 HIS NE2 . 3.200 4.000 4.000 3.962 4.014 0.014 9 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 1467
_Distance_constraint_stats_list.Viol_count 645
_Distance_constraint_stats_list.Viol_total 288.022
_Distance_constraint_stats_list.Viol_max 0.193
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.276 0.071 7 0 "[ . 1 . 2]"
1 10 ARG 0.137 0.068 18 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.025 0.024 12 0 "[ . 1 . 2]"
1 13 PRO 0.038 0.024 12 0 "[ . 1 . 2]"
1 14 PRO 0.019 0.013 18 0 "[ . 1 . 2]"
1 15 VAL 0.197 0.039 18 0 "[ . 1 . 2]"
1 16 TYR 0.216 0.039 18 0 "[ . 1 . 2]"
1 17 ALA 0.076 0.038 13 0 "[ . 1 . 2]"
1 18 ALA 0.073 0.038 13 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.028 0.010 5 0 "[ . 1 . 2]"
1 21 LEU 0.044 0.017 3 0 "[ . 1 . 2]"
1 22 GLU 0.034 0.010 18 0 "[ . 1 . 2]"
1 23 GLU 0.011 0.007 16 0 "[ . 1 . 2]"
1 24 GLN 0.015 0.008 13 0 "[ . 1 . 2]"
1 25 TRP 0.123 0.065 17 0 "[ . 1 . 2]"
1 26 TYR 0.306 0.083 13 0 "[ . 1 . 2]"
1 27 LEU 0.091 0.020 14 0 "[ . 1 . 2]"
1 28 GLU 0.398 0.156 15 0 "[ . 1 . 2]"
1 29 ILE 0.717 0.156 15 0 "[ . 1 . 2]"
1 30 VAL 0.213 0.040 18 0 "[ . 1 . 2]"
1 31 ASP 0.225 0.040 18 0 "[ . 1 . 2]"
1 32 LYS 0.132 0.055 13 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.211 0.055 13 0 "[ . 1 . 2]"
1 35 VAL 0.159 0.037 12 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 CYS 0.037 0.011 20 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.258 0.030 19 0 "[ . 1 . 2]"
1 40 CYS 0.007 0.007 13 0 "[ . 1 . 2]"
1 41 GLN 0.017 0.007 13 0 "[ . 1 . 2]"
1 42 ALA 0.010 0.010 14 0 "[ . 1 . 2]"
1 43 VAL 0.113 0.032 19 0 "[ . 1 . 2]"
1 44 GLY 0.081 0.032 19 0 "[ . 1 . 2]"
1 45 ARG 0.103 0.028 12 0 "[ . 1 . 2]"
1 46 LYS 0.299 0.066 12 0 "[ . 1 . 2]"
1 47 THR 0.397 0.169 20 0 "[ . 1 . 2]"
1 48 ILE 0.384 0.051 17 0 "[ . 1 . 2]"
1 49 GLU 0.448 0.169 20 0 "[ . 1 . 2]"
1 50 GLY 0.119 0.051 16 0 "[ . 1 . 2]"
1 51 LEU 0.590 0.069 18 0 "[ . 1 . 2]"
1 52 LYS 0.291 0.065 17 0 "[ . 1 . 2]"
1 53 LYS 0.479 0.048 20 0 "[ . 1 . 2]"
1 54 HIS 0.122 0.048 20 0 "[ . 1 . 2]"
1 55 MET 0.606 0.069 18 0 "[ . 1 . 2]"
1 56 GLU 0.713 0.193 16 0 "[ . 1 . 2]"
1 57 ASN 0.301 0.049 8 0 "[ . 1 . 2]"
1 58 CYS 0.376 0.076 11 0 "[ . 1 . 2]"
1 59 LYS 1.692 0.121 20 0 "[ . 1 . 2]"
1 60 GLN 1.743 0.193 10 0 "[ . 1 . 2]"
1 61 GLU 0.440 0.193 10 0 "[ . 1 . 2]"
1 62 MET 0.275 0.160 6 0 "[ . 1 . 2]"
1 63 PHE 0.346 0.097 18 0 "[ . 1 . 2]"
1 64 THR 0.259 0.097 18 0 "[ . 1 . 2]"
1 65 CYS 0.990 0.054 5 0 "[ . 1 . 2]"
1 66 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.006 0.005 1 0 "[ . 1 . 2]"
1 69 GLY 0.070 0.037 18 0 "[ . 1 . 2]"
1 70 LYS 0.596 0.050 15 0 "[ . 1 . 2]"
1 71 GLN 0.292 0.028 16 0 "[ . 1 . 2]"
1 72 LEU 0.802 0.057 4 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 6 0 "[ . 1 . 2]"
1 74 SER 0.027 0.023 18 0 "[ . 1 . 2]"
1 75 LEU 0.033 0.014 14 0 "[ . 1 . 2]"
1 76 ALA 0.139 0.053 13 0 "[ . 1 . 2]"
1 77 GLY 0.116 0.030 1 0 "[ . 1 . 2]"
1 78 MET 2.092 0.098 11 0 "[ . 1 . 2]"
1 79 LYS 0.334 0.057 4 0 "[ . 1 . 2]"
1 80 TYR 0.135 0.066 20 0 "[ . 1 . 2]"
1 81 HIS 2.729 0.098 11 0 "[ . 1 . 2]"
1 82 VAL 0.928 0.068 10 0 "[ . 1 . 2]"
1 83 MET 0.655 0.150 20 0 "[ . 1 . 2]"
1 84 ALA 0.340 0.150 20 0 "[ . 1 . 2]"
1 85 ASN 0.349 0.117 5 0 "[ . 1 . 2]"
1 86 HIS 0.248 0.176 8 0 "[ . 1 . 2]"
1 87 ASN 0.257 0.176 8 0 "[ . 1 . 2]"
1 88 SER 0.043 0.015 20 0 "[ . 1 . 2]"
1 89 LEU 0.151 0.083 9 0 "[ . 1 . 2]"
1 90 PRO 0.083 0.083 9 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 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 ILE HA 1 10 ARG H . . 3.390 2.399 2.140 3.458 0.068 18 0 "[ . 1 . 2]" 2
2 1 9 ILE MG 1 10 ARG H . . 4.890 3.412 2.098 4.088 . 0 0 "[ . 1 . 2]" 2
3 1 9 ILE MD 1 10 ARG H . . 5.430 4.486 2.998 5.477 0.047 3 0 "[ . 1 . 2]" 2
4 1 37 CYS H 1 43 VAL HA . . 5.030 4.824 4.628 5.034 0.004 1 0 "[ . 1 . 2]" 2
5 1 37 CYS H 1 42 ALA MB . . 5.500 5.399 5.184 5.510 0.010 14 0 "[ . 1 . 2]" 2
6 1 37 CYS H 1 41 GLN H . . 4.420 3.959 3.679 4.129 . 0 0 "[ . 1 . 2]" 2
7 1 37 CYS H 1 44 GLY HA2 . . 4.420 3.149 2.796 3.804 . 0 0 "[ . 1 . 2]" 2
8 1 37 CYS H 1 44 GLY HA3 . . 4.420 3.987 3.483 4.411 . 0 0 "[ . 1 . 2]" 2
9 1 37 CYS H 1 37 CYS HB2 . . 3.570 2.521 2.376 2.769 . 0 0 "[ . 1 . 2]" 2
10 1 37 CYS H 1 37 CYS HB3 . . 3.570 2.583 2.456 2.690 . 0 0 "[ . 1 . 2]" 2
11 1 37 CYS H 1 51 LEU MD1 . . 4.120 3.663 3.146 4.053 . 0 0 "[ . 1 . 2]" 2
12 1 65 CYS H 1 72 LEU H . . 5.000 4.978 4.845 5.034 0.034 18 0 "[ . 1 . 2]" 2
13 1 72 LEU H 1 73 ARG H . . 5.290 4.435 4.207 4.509 . 0 0 "[ . 1 . 2]" 2
14 1 71 GLN HA 1 72 LEU H . . 3.080 2.165 2.141 2.213 . 0 0 "[ . 1 . 2]" 2
15 1 64 THR HA 1 72 LEU H . . 4.150 4.094 3.981 4.193 0.043 5 0 "[ . 1 . 2]" 2
16 1 72 LEU H 1 78 MET HB2 . . 5.330 3.784 3.585 3.898 . 0 0 "[ . 1 . 2]" 2
17 1 71 GLN HG2 1 72 LEU H . . 4.300 4.230 4.070 4.323 0.023 13 0 "[ . 1 . 2]" 2
18 1 62 MET ME 1 72 LEU H . . 4.340 3.970 3.411 4.332 . 0 0 "[ . 1 . 2]" 2
19 1 72 LEU H 1 72 LEU HB2 . . 3.710 2.555 2.413 2.698 . 0 0 "[ . 1 . 2]" 2
20 1 72 LEU H 1 72 LEU HG . . 4.130 3.213 3.020 3.455 . 0 0 "[ . 1 . 2]" 2
21 1 72 LEU H 1 72 LEU MD2 . . 4.230 4.103 3.891 4.243 0.013 19 0 "[ . 1 . 2]" 2
22 1 63 PHE QE 1 75 LEU H . . 4.110 3.330 2.451 4.002 . 0 0 "[ . 1 . 2]" 2
23 1 74 SER HA 1 75 LEU H . . 3.300 2.199 2.139 2.541 . 0 0 "[ . 1 . 2]" 2
24 1 75 LEU H 1 75 LEU HB2 . . 3.600 2.449 2.261 2.826 . 0 0 "[ . 1 . 2]" 2
25 1 75 LEU H 1 75 LEU HB3 . . 3.600 2.618 2.400 2.776 . 0 0 "[ . 1 . 2]" 2
26 1 75 LEU H 1 75 LEU MD2 . . 4.430 4.253 4.185 4.328 . 0 0 "[ . 1 . 2]" 2
27 1 48 ILE H 1 51 LEU H . . 5.340 4.941 4.665 5.117 . 0 0 "[ . 1 . 2]" 2
28 1 49 GLU H 1 51 LEU H . . 5.500 4.363 3.677 4.760 . 0 0 "[ . 1 . 2]" 2
29 1 50 GLY H 1 51 LEU H . . 3.790 2.786 2.430 2.958 . 0 0 "[ . 1 . 2]" 2
30 1 48 ILE HA 1 51 LEU H . . 4.230 3.365 2.955 3.599 . 0 0 "[ . 1 . 2]" 2
31 1 45 ARG HB2 1 51 LEU H . . 4.530 2.936 2.203 3.880 . 0 0 "[ . 1 . 2]" 2
32 1 51 LEU H 1 52 LYS QB . . 4.860 4.574 4.245 4.849 . 0 0 "[ . 1 . 2]" 2
33 1 51 LEU H 1 51 LEU HB2 . . 3.590 2.740 2.661 2.865 . 0 0 "[ . 1 . 2]" 2
34 1 45 ARG HB3 1 51 LEU H . . 4.530 3.203 2.764 4.502 . 0 0 "[ . 1 . 2]" 2
35 1 51 LEU H 1 51 LEU HB3 . . 3.430 2.296 2.245 2.362 . 0 0 "[ . 1 . 2]" 2
36 1 51 LEU H 1 51 LEU MD2 . . 4.360 4.073 4.000 4.126 . 0 0 "[ . 1 . 2]" 2
37 1 59 LYS H 1 60 GLN HA . . 5.500 5.322 4.596 5.608 0.108 19 0 "[ . 1 . 2]" 2
38 1 58 CYS HB3 1 59 LYS H . . 3.980 3.185 2.188 4.056 0.076 11 0 "[ . 1 . 2]" 2
39 1 59 LYS H 1 59 LYS HB3 . . 3.610 2.926 2.173 3.700 0.090 4 0 "[ . 1 . 2]" 2
40 1 59 LYS H 1 59 LYS HB2 . . 3.610 2.956 2.168 3.590 . 0 0 "[ . 1 . 2]" 2
41 1 59 LYS H 1 59 LYS QG . . 4.230 3.249 1.871 4.311 0.081 10 0 "[ . 1 . 2]" 2
42 1 49 GLU H 1 50 GLY H . . 3.870 3.055 2.528 3.306 . 0 0 "[ . 1 . 2]" 2
43 1 49 GLU HB2 1 50 GLY H . . 3.950 2.815 2.109 4.001 0.051 16 0 "[ . 1 . 2]" 2
44 1 49 GLU HB3 1 50 GLY H . . 3.950 3.073 2.179 3.971 0.021 4 0 "[ . 1 . 2]" 2
45 1 47 THR MG 1 50 GLY H . . 5.090 4.800 1.832 5.089 . 0 0 "[ . 1 . 2]" 2
46 1 48 ILE MG 1 50 GLY H . . 5.500 5.095 4.735 5.517 0.017 20 0 "[ . 1 . 2]" 2
47 1 50 GLY H 1 51 LEU HB3 . . 5.500 4.741 4.431 4.966 . 0 0 "[ . 1 . 2]" 2
48 1 47 THR HB 1 50 GLY H . . 4.600 3.943 3.070 4.595 . 0 0 "[ . 1 . 2]" 2
49 1 58 CYS H 1 59 LYS H . . 3.920 2.735 1.861 3.265 . 0 0 "[ . 1 . 2]" 2
50 1 56 GLU H 1 58 CYS H . . 4.130 3.906 3.542 4.165 0.035 17 0 "[ . 1 . 2]" 2
51 1 57 ASN H 1 58 CYS H . . 3.130 2.093 1.832 2.277 . 0 0 "[ . 1 . 2]" 2
52 1 55 MET HA 1 58 CYS H . . 3.710 3.045 2.621 3.475 . 0 0 "[ . 1 . 2]" 2
53 1 58 CYS H 1 58 CYS HB3 . . 3.240 2.496 2.275 2.772 . 0 0 "[ . 1 . 2]" 2
54 1 58 CYS H 1 58 CYS HB2 . . 3.350 2.738 2.328 3.272 . 0 0 "[ . 1 . 2]" 2
55 1 54 HIS HA 1 58 CYS H . . 4.930 4.366 3.875 4.946 0.016 13 0 "[ . 1 . 2]" 2
56 1 58 CYS H 1 59 LYS HA . . 5.500 4.965 4.425 5.412 . 0 0 "[ . 1 . 2]" 2
57 1 16 TYR H 1 17 ALA H . . 4.680 4.593 4.470 4.642 . 0 0 "[ . 1 . 2]" 2
58 1 16 TYR QD 1 17 ALA H . . 4.450 4.205 3.795 4.460 0.010 18 0 "[ . 1 . 2]" 2
59 1 16 TYR HA 1 17 ALA H . . 3.290 2.335 2.174 2.540 . 0 0 "[ . 1 . 2]" 2
60 1 16 TYR HB2 1 17 ALA H . . 4.270 3.228 2.175 3.970 . 0 0 "[ . 1 . 2]" 2
61 1 16 TYR HB3 1 17 ALA H . . 4.270 3.019 2.417 3.495 . 0 0 "[ . 1 . 2]" 2
62 1 17 ALA H 1 17 ALA MB . . 3.250 2.183 2.043 2.358 . 0 0 "[ . 1 . 2]" 2
63 1 88 SER HA 1 89 LEU H . . 3.550 2.522 2.141 3.560 0.010 11 0 "[ . 1 . 2]" 2
64 1 88 SER QB 1 89 LEU H . . 4.100 3.308 2.314 4.046 . 0 0 "[ . 1 . 2]" 2
65 1 89 LEU H 1 89 LEU MD1 . . 5.300 3.508 1.907 4.603 . 0 0 "[ . 1 . 2]" 2
66 1 89 LEU H 1 89 LEU MD2 . . 5.300 3.334 1.863 4.256 . 0 0 "[ . 1 . 2]" 2
67 1 78 MET H 1 79 LYS H . . 3.410 2.869 2.612 3.034 . 0 0 "[ . 1 . 2]" 2
68 1 78 MET H 1 80 TYR H . . 4.640 3.907 3.823 4.109 . 0 0 "[ . 1 . 2]" 2
69 1 74 SER H 1 78 MET H . . 5.300 5.130 4.741 5.297 . 0 0 "[ . 1 . 2]" 2
70 1 77 GLY QA 1 78 MET H . . 3.510 2.665 2.537 2.749 . 0 0 "[ . 1 . 2]" 2
71 1 75 LEU HA 1 78 MET H . . 3.910 3.649 3.482 3.883 . 0 0 "[ . 1 . 2]" 2
72 1 78 MET H 1 78 MET HG3 . . 4.780 4.557 4.522 4.580 . 0 0 "[ . 1 . 2]" 2
73 1 78 MET H 1 78 MET HG2 . . 4.780 4.226 4.110 4.333 . 0 0 "[ . 1 . 2]" 2
74 1 78 MET H 1 78 MET HB2 . . 3.400 2.813 2.688 2.915 . 0 0 "[ . 1 . 2]" 2
75 1 78 MET H 1 78 MET HB3 . . 3.400 2.275 2.193 2.367 . 0 0 "[ . 1 . 2]" 2
76 1 72 LEU HB2 1 78 MET H . . 4.450 3.711 3.420 4.021 . 0 0 "[ . 1 . 2]" 2
77 1 76 ALA MB 1 78 MET H . . 4.810 4.350 4.138 4.541 . 0 0 "[ . 1 . 2]" 2
78 1 72 LEU MD1 1 78 MET H . . 3.910 2.726 2.471 3.113 . 0 0 "[ . 1 . 2]" 2
79 1 11 LYS HA 1 12 GLU H . . 3.130 2.329 2.142 2.850 . 0 0 "[ . 1 . 2]" 2
80 1 76 ALA H 1 77 GLY H . . 3.820 3.163 3.041 3.289 . 0 0 "[ . 1 . 2]" 2
81 1 74 SER HB2 1 77 GLY H . . 4.760 3.424 2.816 4.704 . 0 0 "[ . 1 . 2]" 2
82 1 76 ALA MB 1 77 GLY H . . 3.520 2.052 1.872 2.311 . 0 0 "[ . 1 . 2]" 2
83 1 12 GLU H 1 12 GLU QG . . 4.240 3.105 2.171 4.241 0.001 12 0 "[ . 1 . 2]" 2
84 1 60 GLN QG 1 61 GLU H . . 4.700 3.526 2.011 4.605 . 0 0 "[ . 1 . 2]" 2
85 1 60 GLN H 1 61 GLU H . . 4.620 4.235 1.885 4.637 0.017 13 0 "[ . 1 . 2]" 2
86 1 60 GLN HA 1 61 GLU H . . 3.040 2.417 2.139 3.233 0.193 10 0 "[ . 1 . 2]" 2
87 1 61 GLU H 1 61 GLU HG3 . . 4.890 4.024 2.757 4.835 . 0 0 "[ . 1 . 2]" 2
88 1 20 SER HB2 1 21 LEU H . . 4.010 3.520 2.513 3.940 . 0 0 "[ . 1 . 2]" 2
89 1 17 ALA MB 1 21 LEU H . . 5.500 5.283 4.707 5.499 . 0 0 "[ . 1 . 2]" 2
90 1 21 LEU H 1 21 LEU MD1 . . 4.090 3.661 3.439 3.819 . 0 0 "[ . 1 . 2]" 2
91 1 47 THR HB 1 48 ILE H . . 3.770 2.200 1.893 3.561 . 0 0 "[ . 1 . 2]" 2
92 1 48 ILE H 1 48 ILE HB . . 3.660 2.658 2.553 2.754 . 0 0 "[ . 1 . 2]" 2
93 1 48 ILE H 1 48 ILE HG13 . . 4.090 2.223 1.884 3.385 . 0 0 "[ . 1 . 2]" 2
94 1 48 ILE H 1 48 ILE HG12 . . 4.090 2.912 1.883 3.510 . 0 0 "[ . 1 . 2]" 2
95 1 48 ILE H 1 48 ILE MD . . 4.050 3.529 3.221 3.737 . 0 0 "[ . 1 . 2]" 2
96 1 29 ILE MD 1 48 ILE H . . 4.120 2.734 2.371 3.153 . 0 0 "[ . 1 . 2]" 2
97 1 20 SER HA 1 21 LEU H . . 3.180 2.447 2.273 2.582 . 0 0 "[ . 1 . 2]" 2
98 1 21 LEU H 1 21 LEU HG . . 3.390 2.813 2.511 3.037 . 0 0 "[ . 1 . 2]" 2
99 1 21 LEU H 1 21 LEU HB3 . . 4.010 3.519 3.476 3.564 . 0 0 "[ . 1 . 2]" 2
100 1 65 CYS HB3 1 70 LYS H . . 3.480 1.937 1.882 2.008 . 0 0 "[ . 1 . 2]" 2
101 1 70 LYS H 1 70 LYS HB2 . . 3.120 2.272 2.199 2.395 . 0 0 "[ . 1 . 2]" 2
102 1 70 LYS H 1 70 LYS HG2 . . 4.660 4.470 4.211 4.589 . 0 0 "[ . 1 . 2]" 2
103 1 70 LYS H 1 70 LYS HB3 . . 3.210 2.862 2.734 2.912 . 0 0 "[ . 1 . 2]" 2
104 1 71 GLN H 1 72 LEU MD2 . . 4.810 4.377 3.902 4.838 0.028 16 0 "[ . 1 . 2]" 2
105 1 71 GLN H 1 72 LEU H . . 4.640 4.001 3.808 4.249 . 0 0 "[ . 1 . 2]" 2
106 1 70 LYS H 1 71 GLN H . . 4.690 4.622 4.586 4.639 . 0 0 "[ . 1 . 2]" 2
107 1 70 LYS HA 1 71 GLN H . . 2.860 2.322 2.287 2.400 . 0 0 "[ . 1 . 2]" 2
108 1 71 GLN H 1 71 GLN HG3 . . 3.700 3.610 3.353 3.726 0.026 17 0 "[ . 1 . 2]" 2
109 1 71 GLN H 1 71 GLN HG2 . . 4.270 4.140 4.064 4.182 . 0 0 "[ . 1 . 2]" 2
110 1 71 GLN H 1 71 GLN HB3 . . 3.730 3.710 3.626 3.756 0.026 12 0 "[ . 1 . 2]" 2
111 1 71 GLN H 1 72 LEU HG . . 5.000 3.699 3.272 4.222 . 0 0 "[ . 1 . 2]" 2
112 1 70 LYS HG2 1 71 GLN H . . 4.110 2.175 1.890 2.775 . 0 0 "[ . 1 . 2]" 2
113 1 70 LYS HB3 1 71 GLN H . . 3.850 3.414 3.190 3.569 . 0 0 "[ . 1 . 2]" 2
114 1 70 LYS HG3 1 71 GLN H . . 4.110 3.434 3.014 4.077 . 0 0 "[ . 1 . 2]" 2
115 1 14 PRO HA 1 16 TYR H . . 4.760 4.383 3.998 4.700 . 0 0 "[ . 1 . 2]" 2
116 1 15 VAL HB 1 16 TYR H . . 4.280 3.965 3.760 4.269 . 0 0 "[ . 1 . 2]" 2
117 1 16 TYR H 1 16 TYR QD . . 3.740 2.584 1.979 2.887 . 0 0 "[ . 1 . 2]" 2
118 1 16 TYR H 1 16 TYR HB2 . . 3.770 3.035 2.686 3.649 . 0 0 "[ . 1 . 2]" 2
119 1 16 TYR H 1 16 TYR HB3 . . 3.770 3.457 3.127 3.627 . 0 0 "[ . 1 . 2]" 2
120 1 15 VAL MG1 1 16 TYR H . . 4.130 2.007 1.789 2.436 . 0 0 "[ . 1 . 2]" 2
121 1 9 ILE H 1 9 ILE HG12 . . 4.460 3.194 1.923 4.471 0.011 7 0 "[ . 1 . 2]" 2
122 1 8 ARG HA 1 9 ILE H . . 3.290 2.316 2.140 3.027 . 0 0 "[ . 1 . 2]" 2
123 1 9 ILE H 1 9 ILE HG13 . . 4.460 3.158 1.915 4.462 0.002 8 0 "[ . 1 . 2]" 2
124 1 9 ILE H 1 9 ILE MG . . 4.620 3.181 1.864 3.900 . 0 0 "[ . 1 . 2]" 2
125 1 9 ILE H 1 9 ILE MD . . 5.170 3.457 1.795 4.472 . 0 0 "[ . 1 . 2]" 2
126 1 63 PHE H 1 72 LEU H . . 4.740 4.397 3.840 4.739 . 0 0 "[ . 1 . 2]" 2
127 1 62 MET HG3 1 63 PHE H . . 4.830 4.427 2.237 4.828 . 0 0 "[ . 1 . 2]" 2
128 1 63 PHE H 1 63 PHE QD . . 3.730 3.093 2.498 3.573 . 0 0 "[ . 1 . 2]" 2
129 1 62 MET HA 1 63 PHE H . . 2.950 2.464 2.198 2.610 . 0 0 "[ . 1 . 2]" 2
130 1 63 PHE H 1 63 PHE HB3 . . 4.080 3.840 3.617 3.939 . 0 0 "[ . 1 . 2]" 2
131 1 62 MET ME 1 63 PHE H . . 4.170 3.242 2.513 3.974 . 0 0 "[ . 1 . 2]" 2
132 1 62 MET QB 1 63 PHE H . . 3.410 2.355 2.004 3.444 0.034 6 0 "[ . 1 . 2]" 2
133 1 25 TRP H 1 26 TYR H . . 3.860 2.893 2.719 3.084 . 0 0 "[ . 1 . 2]" 2
134 1 24 GLN H 1 25 TRP H . . 3.680 2.947 2.787 3.145 . 0 0 "[ . 1 . 2]" 2
135 1 25 TRP H 1 25 TRP HD1 . . 3.990 3.161 2.769 3.591 . 0 0 "[ . 1 . 2]" 2
136 1 25 TRP H 1 25 TRP HB2 . . 3.910 2.601 2.438 2.710 . 0 0 "[ . 1 . 2]" 2
137 1 25 TRP H 1 26 TYR QB . . 4.660 4.570 4.460 4.664 0.004 20 0 "[ . 1 . 2]" 2
138 1 25 TRP H 1 25 TRP HB3 . . 3.910 3.592 3.586 3.600 . 0 0 "[ . 1 . 2]" 2
139 1 24 GLN HG2 1 25 TRP H . . 4.930 4.742 4.112 4.908 . 0 0 "[ . 1 . 2]" 2
140 1 24 GLN QB 1 25 TRP H . . 3.470 2.187 2.029 2.410 . 0 0 "[ . 1 . 2]" 2
141 1 25 TRP H 1 35 VAL MG2 . . 4.710 4.363 4.121 4.531 . 0 0 "[ . 1 . 2]" 2
142 1 76 ALA H 1 76 ALA MB . . 3.300 2.163 2.056 2.253 . 0 0 "[ . 1 . 2]" 2
143 1 74 SER HA 1 76 ALA H . . 4.740 4.166 3.830 4.699 . 0 0 "[ . 1 . 2]" 2
144 1 35 VAL HA 1 36 SER H . . 3.020 2.238 2.160 2.334 . 0 0 "[ . 1 . 2]" 2
145 1 36 SER H 1 36 SER HB3 . . 3.340 2.472 2.338 2.680 . 0 0 "[ . 1 . 2]" 2
146 1 35 VAL HB 1 36 SER H . . 4.270 4.048 3.900 4.215 . 0 0 "[ . 1 . 2]" 2
147 1 35 VAL MG2 1 36 SER H . . 3.430 2.051 1.885 2.371 . 0 0 "[ . 1 . 2]" 2
148 1 45 ARG H 1 47 THR H . . 5.390 5.078 3.815 5.416 0.026 17 0 "[ . 1 . 2]" 2
149 1 45 ARG HB2 1 47 THR H . . 4.170 3.944 3.186 4.198 0.028 12 0 "[ . 1 . 2]" 2
150 1 46 LYS HB2 1 47 THR H . . 4.370 2.888 2.355 4.164 . 0 0 "[ . 1 . 2]" 2
151 1 46 LYS HB3 1 47 THR H . . 4.370 3.371 2.365 4.356 . 0 0 "[ . 1 . 2]" 2
152 1 45 ARG HB3 1 47 THR H . . 4.170 2.876 2.199 3.142 . 0 0 "[ . 1 . 2]" 2
153 1 47 THR H 1 47 THR MG . . 3.710 3.349 2.752 3.629 . 0 0 "[ . 1 . 2]" 2
154 1 59 LYS QG 1 60 GLN H . . 4.540 3.557 1.898 4.421 . 0 0 "[ . 1 . 2]" 2
155 1 59 LYS HA 1 60 GLN H . . 3.200 2.412 2.140 3.321 0.121 20 0 "[ . 1 . 2]" 2
156 1 60 GLN H 1 60 GLN QG . . 3.980 3.065 1.869 4.040 0.060 2 0 "[ . 1 . 2]" 2
157 1 60 GLN H 1 60 GLN HB3 . . 3.690 3.060 2.464 3.733 0.043 8 0 "[ . 1 . 2]" 2
158 1 60 GLN H 1 60 GLN HB2 . . 3.690 2.942 2.164 3.716 0.026 3 0 "[ . 1 . 2]" 2
159 1 59 LYS HB3 1 60 GLN H . . 4.540 4.019 3.436 4.423 . 0 0 "[ . 1 . 2]" 2
160 1 59 LYS HB2 1 60 GLN H . . 4.540 3.966 2.071 4.641 0.101 4 0 "[ . 1 . 2]" 2
161 1 39 THR MG 1 60 GLN H . . 4.340 2.658 1.827 3.623 . 0 0 "[ . 1 . 2]" 2
162 1 37 CYS H 1 42 ALA H . . 4.170 3.798 3.534 4.043 . 0 0 "[ . 1 . 2]" 2
163 1 42 ALA H 1 43 VAL H . . 3.070 2.040 1.876 2.145 . 0 0 "[ . 1 . 2]" 2
164 1 37 CYS HB2 1 42 ALA H . . 4.590 3.909 3.522 4.543 . 0 0 "[ . 1 . 2]" 2
165 1 37 CYS HB3 1 42 ALA H . . 4.590 2.664 2.487 3.103 . 0 0 "[ . 1 . 2]" 2
166 1 41 GLN HB2 1 42 ALA H . . 4.560 4.240 4.168 4.304 . 0 0 "[ . 1 . 2]" 2
167 1 41 GLN HB3 1 42 ALA H . . 4.520 4.443 4.407 4.464 . 0 0 "[ . 1 . 2]" 2
168 1 42 ALA H 1 42 ALA MB . . 3.030 2.354 2.249 2.427 . 0 0 "[ . 1 . 2]" 2
169 1 42 ALA H 1 43 VAL MG1 . . 4.820 4.411 4.292 4.554 . 0 0 "[ . 1 . 2]" 2
170 1 42 ALA H 1 43 VAL MG2 . . 4.280 3.732 3.490 3.901 . 0 0 "[ . 1 . 2]" 2
171 1 40 CYS HB2 1 42 ALA H . . 4.720 3.820 3.387 4.135 . 0 0 "[ . 1 . 2]" 2
172 1 40 CYS HB3 1 42 ALA H . . 4.720 4.610 4.484 4.708 . 0 0 "[ . 1 . 2]" 2
173 1 28 GLU H 1 30 VAL H . . 4.860 4.600 4.194 4.834 . 0 0 "[ . 1 . 2]" 2
174 1 29 ILE H 1 30 VAL H . . 3.460 2.460 2.177 2.652 . 0 0 "[ . 1 . 2]" 2
175 1 26 TYR HA 1 30 VAL H . . 4.550 4.385 4.248 4.483 . 0 0 "[ . 1 . 2]" 2
176 1 27 LEU HA 1 30 VAL H . . 4.120 3.180 2.930 3.350 . 0 0 "[ . 1 . 2]" 2
177 1 29 ILE HG13 1 30 VAL H . . 4.560 4.095 3.938 4.276 . 0 0 "[ . 1 . 2]" 2
178 1 27 LEU H 1 28 GLU H . . 3.530 2.948 2.810 3.073 . 0 0 "[ . 1 . 2]" 2
179 1 28 GLU H 1 29 ILE H . . 3.550 2.844 2.734 2.932 . 0 0 "[ . 1 . 2]" 2
180 1 28 GLU H 1 28 GLU HG2 . . 4.750 4.312 2.186 4.639 . 0 0 "[ . 1 . 2]" 2
181 1 28 GLU H 1 29 ILE HG13 . . 4.700 4.346 4.035 4.670 . 0 0 "[ . 1 . 2]" 2
182 1 27 LEU MD1 1 28 GLU H . . 4.190 4.002 3.837 4.192 0.002 20 0 "[ . 1 . 2]" 2
183 1 28 GLU H 1 29 ILE MD . . 5.110 4.880 4.545 5.098 . 0 0 "[ . 1 . 2]" 2
184 1 25 TRP HA 1 28 GLU H . . 4.170 3.613 3.331 3.818 . 0 0 "[ . 1 . 2]" 2
185 1 26 TYR QB 1 28 GLU H . . 5.140 4.940 4.827 5.091 . 0 0 "[ . 1 . 2]" 2
186 1 28 GLU H 1 28 GLU QB . . 3.140 2.209 2.126 2.475 . 0 0 "[ . 1 . 2]" 2
187 1 27 LEU HB2 1 28 GLU H . . 3.710 2.259 2.098 2.409 . 0 0 "[ . 1 . 2]" 2
188 1 27 LEU HB3 1 28 GLU H . . 4.070 3.378 3.151 3.497 . 0 0 "[ . 1 . 2]" 2
189 1 28 GLU H 1 35 VAL MG2 . . 4.620 4.421 4.154 4.611 . 0 0 "[ . 1 . 2]" 2
190 1 78 MET HG2 1 79 LYS H . . 4.620 2.705 2.387 3.177 . 0 0 "[ . 1 . 2]" 2
191 1 72 LEU MD1 1 79 LYS H . . 4.690 4.515 4.323 4.747 0.057 4 0 "[ . 1 . 2]" 2
192 1 25 TRP HA 1 29 ILE H . . 5.500 4.968 4.762 5.217 . 0 0 "[ . 1 . 2]" 2
193 1 29 ILE H 1 35 VAL HA . . 5.500 5.007 4.600 5.331 . 0 0 "[ . 1 . 2]" 2
194 1 29 ILE H 1 29 ILE HG13 . . 3.720 2.273 2.076 2.439 . 0 0 "[ . 1 . 2]" 2
195 1 29 ILE H 1 35 VAL MG2 . . 5.060 4.716 4.258 5.018 . 0 0 "[ . 1 . 2]" 2
196 1 29 ILE H 1 29 ILE MD . . 3.520 3.324 3.164 3.503 . 0 0 "[ . 1 . 2]" 2
197 1 29 ILE H 1 29 ILE HG12 . . 4.010 3.722 3.485 3.873 . 0 0 "[ . 1 . 2]" 2
198 1 25 TRP HB2 1 26 TYR H . . 4.520 2.507 2.230 2.944 . 0 0 "[ . 1 . 2]" 2
199 1 75 LEU HA 1 79 LYS H . . 4.480 3.870 3.591 4.345 . 0 0 "[ . 1 . 2]" 2
200 1 79 LYS H 1 80 TYR QB . . 4.930 4.622 4.460 4.687 . 0 0 "[ . 1 . 2]" 2
201 1 78 MET HB2 1 79 LYS H . . 4.170 3.794 3.681 3.951 . 0 0 "[ . 1 . 2]" 2
202 1 78 MET HB3 1 79 LYS H . . 4.170 2.384 2.203 2.648 . 0 0 "[ . 1 . 2]" 2
203 1 79 LYS H 1 79 LYS HG3 . . 3.760 2.582 2.083 3.124 . 0 0 "[ . 1 . 2]" 2
204 1 79 LYS H 1 79 LYS HG2 . . 3.760 3.248 1.925 3.650 . 0 0 "[ . 1 . 2]" 2
205 1 78 MET HG3 1 79 LYS H . . 4.620 4.049 3.772 4.428 . 0 0 "[ . 1 . 2]" 2
206 1 28 GLU QB 1 29 ILE H . . 3.600 2.902 2.777 3.102 . 0 0 "[ . 1 . 2]" 2
207 1 27 LEU HB2 1 29 ILE H . . 5.020 4.581 4.526 4.681 . 0 0 "[ . 1 . 2]" 2
208 1 26 TYR H 1 26 TYR QB . . 3.520 2.260 2.244 2.283 . 0 0 "[ . 1 . 2]" 2
209 1 67 HIS H 1 68 CYS H . . 3.260 2.980 2.769 3.135 . 0 0 "[ . 1 . 2]" 2
210 1 67 HIS H 1 67 HIS HD2 . . 4.010 2.799 2.024 3.762 . 0 0 "[ . 1 . 2]" 2
211 1 67 HIS H 1 67 HIS HB2 . . 3.690 2.434 2.273 2.692 . 0 0 "[ . 1 . 2]" 2
212 1 67 HIS H 1 67 HIS HB3 . . 3.690 3.575 3.543 3.592 . 0 0 "[ . 1 . 2]" 2
213 1 39 THR H 1 41 GLN H . . 4.070 3.158 2.868 3.467 . 0 0 "[ . 1 . 2]" 2
214 1 38 PRO HD2 1 39 THR H . . 4.620 2.933 2.793 3.049 . 0 0 "[ . 1 . 2]" 2
215 1 39 THR H 1 39 THR HB . . 3.400 2.628 2.527 2.738 . 0 0 "[ . 1 . 2]" 2
216 1 37 CYS HA 1 39 THR H . . 4.270 3.451 3.408 3.584 . 0 0 "[ . 1 . 2]" 2
217 1 39 THR H 1 41 GLN HG2 . . 5.240 4.412 4.236 4.701 . 0 0 "[ . 1 . 2]" 2
218 1 39 THR H 1 39 THR MG . . 3.830 3.830 3.799 3.860 0.030 19 0 "[ . 1 . 2]" 2
219 1 47 THR HB 1 49 GLU H . . 3.890 2.921 2.526 4.059 0.169 20 0 "[ . 1 . 2]" 2
220 1 49 GLU H 1 49 GLU HB3 . . 3.710 3.273 2.219 3.627 . 0 0 "[ . 1 . 2]" 2
221 1 47 THR MG 1 49 GLU H . . 4.520 4.298 2.384 4.521 0.001 18 0 "[ . 1 . 2]" 2
222 1 48 ILE MG 1 49 GLU H . . 4.090 3.463 3.035 4.091 0.001 20 0 "[ . 1 . 2]" 2
223 1 49 GLU H 1 49 GLU HG3 . . 4.410 3.224 1.920 4.437 0.027 16 0 "[ . 1 . 2]" 2
224 1 48 ILE HB 1 49 GLU H . . 3.320 2.437 2.119 3.371 0.051 20 0 "[ . 1 . 2]" 2
225 1 82 VAL H 1 84 ALA H . . 4.660 3.787 3.569 4.149 . 0 0 "[ . 1 . 2]" 2
226 1 81 HIS HD2 1 82 VAL H . . 4.290 3.354 3.236 3.572 . 0 0 "[ . 1 . 2]" 2
227 1 82 VAL H 1 86 HIS HD2 . . 4.740 4.608 4.353 4.745 0.005 17 0 "[ . 1 . 2]" 2
228 1 78 MET HA 1 82 VAL H . . 4.750 4.711 4.640 4.775 0.025 20 0 "[ . 1 . 2]" 2
229 1 81 HIS HB3 1 82 VAL H . . 3.940 3.721 3.589 3.815 . 0 0 "[ . 1 . 2]" 2
230 1 82 VAL H 1 82 VAL HB . . 3.300 2.476 2.373 2.578 . 0 0 "[ . 1 . 2]" 2
231 1 82 VAL H 1 83 MET QB . . 4.910 4.543 4.327 4.712 . 0 0 "[ . 1 . 2]" 2
232 1 82 VAL H 1 82 VAL MG2 . . 3.220 2.262 1.970 2.537 . 0 0 "[ . 1 . 2]" 2
233 1 79 LYS HA 1 82 VAL H . . 4.240 3.885 3.793 4.011 . 0 0 "[ . 1 . 2]" 2
234 1 14 PRO HA 1 15 VAL H . . 2.790 2.511 2.351 2.665 . 0 0 "[ . 1 . 2]" 2
235 1 15 VAL H 1 15 VAL HB . . 3.310 2.533 2.450 2.643 . 0 0 "[ . 1 . 2]" 2
236 1 14 PRO HB3 1 15 VAL H . . 3.830 3.333 3.187 3.521 . 0 0 "[ . 1 . 2]" 2
237 1 15 VAL H 1 15 VAL MG1 . . 3.300 2.145 1.913 2.317 . 0 0 "[ . 1 . 2]" 2
238 1 15 VAL H 1 15 VAL MG2 . . 4.100 3.767 3.755 3.774 . 0 0 "[ . 1 . 2]" 2
239 1 14 PRO HB2 1 15 VAL H . . 3.830 2.355 2.017 2.742 . 0 0 "[ . 1 . 2]" 2
240 1 34 SER HA 1 45 ARG H . . 5.220 4.933 4.233 5.188 . 0 0 "[ . 1 . 2]" 2
241 1 44 GLY HA2 1 45 ARG H . . 3.430 2.567 2.336 2.917 . 0 0 "[ . 1 . 2]" 2
242 1 44 GLY HA3 1 45 ARG H . . 3.430 2.567 2.267 2.820 . 0 0 "[ . 1 . 2]" 2
243 1 35 VAL MG1 1 45 ARG H . . 3.950 2.556 2.316 3.074 . 0 0 "[ . 1 . 2]" 2
244 1 51 LEU H 1 52 LYS H . . 3.770 2.798 2.584 2.971 . 0 0 "[ . 1 . 2]" 2
245 1 49 GLU HA 1 52 LYS H . . 4.020 3.849 3.397 4.031 0.011 4 0 "[ . 1 . 2]" 2
246 1 48 ILE HA 1 52 LYS H . . 4.640 3.891 3.611 4.413 . 0 0 "[ . 1 . 2]" 2
247 1 52 LYS H 1 52 LYS QB . . 3.310 2.380 2.176 2.633 . 0 0 "[ . 1 . 2]" 2
248 1 51 LEU HB2 1 52 LYS H . . 4.560 3.898 3.758 4.103 . 0 0 "[ . 1 . 2]" 2
249 1 52 LYS H 1 52 LYS HG2 . . 4.270 3.423 1.897 4.210 . 0 0 "[ . 1 . 2]" 2
250 1 51 LEU HB3 1 52 LYS H . . 3.900 2.512 2.296 2.858 . 0 0 "[ . 1 . 2]" 2
251 1 51 LEU MD1 1 52 LYS H . . 4.790 4.386 4.211 4.747 . 0 0 "[ . 1 . 2]" 2
252 1 63 PHE HB2 1 64 THR H . . 4.330 3.383 2.969 4.032 . 0 0 "[ . 1 . 2]" 2
253 1 39 THR H 1 40 CYS H . . 3.360 2.432 2.322 2.660 . 0 0 "[ . 1 . 2]" 2
254 1 39 THR HB 1 40 CYS H . . 3.420 2.206 2.028 2.390 . 0 0 "[ . 1 . 2]" 2
255 1 37 CYS HB2 1 40 CYS H . . 4.430 4.199 4.044 4.381 . 0 0 "[ . 1 . 2]" 2
256 1 40 CYS H 1 40 CYS HB2 . . 3.990 3.691 3.609 3.787 . 0 0 "[ . 1 . 2]" 2
257 1 40 CYS H 1 40 CYS HB3 . . 3.990 2.790 2.673 2.901 . 0 0 "[ . 1 . 2]" 2
258 1 37 CYS HB3 1 40 CYS H . . 4.430 2.944 2.782 3.133 . 0 0 "[ . 1 . 2]" 2
259 1 40 CYS H 1 41 GLN HG3 . . 4.250 4.174 4.057 4.257 0.007 13 0 "[ . 1 . 2]" 2
260 1 39 THR MG 1 40 CYS H . . 3.940 3.304 3.020 3.591 . 0 0 "[ . 1 . 2]" 2
261 1 37 CYS H 1 40 CYS H . . 5.490 5.349 5.149 5.482 . 0 0 "[ . 1 . 2]" 2
262 1 40 CYS H 1 41 GLN HB2 . . 5.450 5.145 4.875 5.258 . 0 0 "[ . 1 . 2]" 2
263 1 40 CYS H 1 41 GLN HG2 . . 5.500 4.888 4.567 5.282 . 0 0 "[ . 1 . 2]" 2
264 1 52 LYS H 1 54 HIS H . . 4.780 4.089 3.834 4.209 . 0 0 "[ . 1 . 2]" 2
265 1 63 PHE HB3 1 64 THR H . . 4.330 2.649 2.192 4.427 0.097 18 0 "[ . 1 . 2]" 2
266 1 63 PHE QD 1 64 THR H . . 4.670 4.177 3.966 4.664 . 0 0 "[ . 1 . 2]" 2
267 1 63 PHE HA 1 64 THR H . . 3.050 2.452 2.153 3.085 0.035 18 0 "[ . 1 . 2]" 2
268 1 64 THR H 1 64 THR HB . . 3.380 3.019 2.824 3.229 . 0 0 "[ . 1 . 2]" 2
269 1 64 THR H 1 64 THR MG . . 4.110 3.987 3.744 4.061 . 0 0 "[ . 1 . 2]" 2
270 1 62 MET H 1 63 PHE H . . 4.720 4.480 4.376 4.643 . 0 0 "[ . 1 . 2]" 2
271 1 61 GLU H 1 62 MET H . . 4.760 4.451 4.082 4.646 . 0 0 "[ . 1 . 2]" 2
272 1 61 GLU HA 1 62 MET H . . 2.780 2.288 2.145 2.657 . 0 0 "[ . 1 . 2]" 2
273 1 62 MET H 1 62 MET HG3 . . 4.130 3.543 2.624 4.290 0.160 6 0 "[ . 1 . 2]" 2
274 1 61 GLU HG3 1 62 MET H . . 4.530 3.221 1.913 4.525 . 0 0 "[ . 1 . 2]" 2
275 1 61 GLU HG2 1 62 MET H . . 4.530 3.673 2.163 4.494 . 0 0 "[ . 1 . 2]" 2
276 1 62 MET H 1 62 MET QB . . 3.130 2.524 2.220 3.170 0.040 14 0 "[ . 1 . 2]" 2
277 1 82 VAL H 1 83 MET H . . 3.480 2.645 2.519 2.856 . 0 0 "[ . 1 . 2]" 2
278 1 83 MET H 1 84 ALA H . . 3.430 2.673 2.540 2.881 . 0 0 "[ . 1 . 2]" 2
279 1 83 MET H 1 85 ASN H . . 5.040 4.689 4.349 5.046 0.006 10 0 "[ . 1 . 2]" 2
280 1 80 TYR HA 1 83 MET H . . 4.120 3.326 3.140 3.619 . 0 0 "[ . 1 . 2]" 2
281 1 83 MET H 1 83 MET HG2 . . 4.090 3.734 2.285 4.099 0.009 18 0 "[ . 1 . 2]" 2
282 1 83 MET H 1 83 MET HG3 . . 4.090 2.739 1.900 3.615 . 0 0 "[ . 1 . 2]" 2
283 1 82 VAL HB 1 83 MET H . . 3.510 2.432 2.166 2.710 . 0 0 "[ . 1 . 2]" 2
284 1 83 MET H 1 83 MET QB . . 3.010 2.321 2.184 2.609 . 0 0 "[ . 1 . 2]" 2
285 1 82 VAL MG2 1 83 MET H . . 3.910 3.796 3.629 3.913 0.003 11 0 "[ . 1 . 2]" 2
286 1 82 VAL MG1 1 83 MET H . . 3.820 3.200 2.613 3.450 . 0 0 "[ . 1 . 2]" 2
287 1 35 VAL H 1 36 SER H . . 4.710 4.490 4.416 4.592 . 0 0 "[ . 1 . 2]" 2
288 1 34 SER HA 1 35 VAL H . . 3.320 2.373 2.195 2.578 . 0 0 "[ . 1 . 2]" 2
289 1 35 VAL H 1 35 VAL HB . . 4.150 2.939 2.672 3.197 . 0 0 "[ . 1 . 2]" 2
290 1 35 VAL H 1 35 VAL MG1 . . 3.340 2.162 1.879 2.448 . 0 0 "[ . 1 . 2]" 2
291 1 29 ILE HG12 1 35 VAL H . . 4.490 2.792 2.219 3.251 . 0 0 "[ . 1 . 2]" 2
292 1 80 TYR H 1 82 VAL H . . 4.830 3.955 3.806 4.125 . 0 0 "[ . 1 . 2]" 2
293 1 79 LYS QB 1 80 TYR H . . 3.400 2.946 2.729 3.098 . 0 0 "[ . 1 . 2]" 2
294 1 79 LYS HG3 1 80 TYR H . . 5.500 4.771 4.376 4.981 . 0 0 "[ . 1 . 2]" 2
295 1 80 TYR H 1 82 VAL MG2 . . 5.500 4.834 4.623 5.019 . 0 0 "[ . 1 . 2]" 2
296 1 77 GLY QA 1 80 TYR H . . 3.990 3.697 3.597 3.825 . 0 0 "[ . 1 . 2]" 2
297 1 80 TYR H 1 80 TYR QB . . 2.940 2.282 2.194 2.356 . 0 0 "[ . 1 . 2]" 2
298 1 40 CYS HB3 1 41 GLN H . . 4.840 3.992 3.920 4.076 . 0 0 "[ . 1 . 2]" 2
299 1 76 ALA MB 1 80 TYR H . . 5.500 5.039 4.834 5.257 . 0 0 "[ . 1 . 2]" 2
300 1 79 LYS HG2 1 80 TYR H . . 5.500 5.007 4.356 5.220 . 0 0 "[ . 1 . 2]" 2
301 1 39 THR HB 1 41 GLN H . . 4.390 4.222 4.094 4.342 . 0 0 "[ . 1 . 2]" 2
302 1 37 CYS HB3 1 41 GLN H . . 4.070 2.084 1.908 2.350 . 0 0 "[ . 1 . 2]" 2
303 1 41 GLN H 1 41 GLN HB2 . . 3.830 3.534 3.441 3.604 . 0 0 "[ . 1 . 2]" 2
304 1 41 GLN H 1 41 GLN HG2 . . 4.030 3.313 3.170 3.603 . 0 0 "[ . 1 . 2]" 2
305 1 41 GLN H 1 41 GLN HG3 . . 3.590 3.039 2.782 3.223 . 0 0 "[ . 1 . 2]" 2
306 1 35 VAL H 1 46 LYS HA . . 4.280 4.169 3.591 4.311 0.031 17 0 "[ . 1 . 2]" 2
307 1 34 SER HB2 1 35 VAL H . . 4.070 2.756 2.168 4.045 . 0 0 "[ . 1 . 2]" 2
308 1 29 ILE HG13 1 35 VAL H . . 4.500 3.730 2.867 4.391 . 0 0 "[ . 1 . 2]" 2
309 1 35 VAL H 1 35 VAL MG2 . . 4.170 3.869 3.806 3.956 . 0 0 "[ . 1 . 2]" 2
310 1 79 LYS H 1 81 HIS H . . 4.700 4.363 4.137 4.477 . 0 0 "[ . 1 . 2]" 2
311 1 81 HIS H 1 83 MET H . . 4.840 4.531 4.333 4.874 0.034 10 0 "[ . 1 . 2]" 2
312 1 79 LYS QB 1 81 HIS H . . 5.020 4.875 4.769 4.988 . 0 0 "[ . 1 . 2]" 2
313 1 81 HIS H 1 82 VAL H . . 3.640 2.732 2.544 2.887 . 0 0 "[ . 1 . 2]" 2
314 1 80 TYR H 1 81 HIS H . . 3.560 2.372 2.180 2.547 . 0 0 "[ . 1 . 2]" 2
315 1 81 HIS H 1 81 HIS HD2 . . 4.960 4.772 4.623 4.934 . 0 0 "[ . 1 . 2]" 2
316 1 78 MET HA 1 81 HIS H . . 3.960 3.055 3.000 3.175 . 0 0 "[ . 1 . 2]" 2
317 1 81 HIS H 1 81 HIS HB3 . . 3.330 2.181 2.153 2.246 . 0 0 "[ . 1 . 2]" 2
318 1 81 HIS H 1 81 HIS HB2 . . 3.590 3.490 3.463 3.532 . 0 0 "[ . 1 . 2]" 2
319 1 80 TYR QB 1 81 HIS H . . 3.400 2.643 2.494 2.988 . 0 0 "[ . 1 . 2]" 2
320 1 81 HIS H 1 82 VAL MG2 . . 4.360 4.167 3.802 4.355 . 0 0 "[ . 1 . 2]" 2
321 1 72 LEU MD1 1 81 HIS H . . 4.140 4.039 3.835 4.184 0.044 1 0 "[ . 1 . 2]" 2
322 1 77 GLY QA 1 81 HIS H . . 4.710 4.378 4.296 4.603 . 0 0 "[ . 1 . 2]" 2
323 1 81 HIS H 1 82 VAL HB . . 5.100 4.979 4.840 5.119 0.019 17 0 "[ . 1 . 2]" 2
324 1 52 LYS H 1 53 LYS H . . 3.590 2.984 2.723 3.125 . 0 0 "[ . 1 . 2]" 2
325 1 51 LEU H 1 53 LYS H . . 4.630 4.400 3.926 4.639 0.009 6 0 "[ . 1 . 2]" 2
326 1 53 LYS H 1 54 HIS HB2 . . 5.310 5.160 4.956 5.358 0.048 20 0 "[ . 1 . 2]" 2
327 1 53 LYS H 1 54 HIS HB3 . . 5.310 4.766 4.510 4.876 . 0 0 "[ . 1 . 2]" 2
328 1 53 LYS H 1 54 HIS H . . 3.510 2.632 2.454 2.707 . 0 0 "[ . 1 . 2]" 2
329 1 49 GLU HA 1 53 LYS H . . 4.790 4.644 4.193 4.813 0.023 14 0 "[ . 1 . 2]" 2
330 1 50 GLY HA2 1 53 LYS H . . 4.200 3.819 3.575 4.005 . 0 0 "[ . 1 . 2]" 2
331 1 52 LYS QB 1 53 LYS H . . 3.060 2.456 2.255 2.813 . 0 0 "[ . 1 . 2]" 2
332 1 53 LYS H 1 53 LYS QB . . 3.250 2.233 2.162 2.320 . 0 0 "[ . 1 . 2]" 2
333 1 53 LYS H 1 53 LYS QG . . 4.090 3.651 2.464 4.056 . 0 0 "[ . 1 . 2]" 2
334 1 51 LEU HB3 1 53 LYS H . . 5.500 5.157 4.687 5.367 . 0 0 "[ . 1 . 2]" 2
335 1 51 LEU HG 1 53 LYS H . . 5.500 5.168 4.882 5.475 . 0 0 "[ . 1 . 2]" 2
336 1 26 TYR QE 1 27 LEU H . . 5.500 5.373 5.210 5.480 . 0 0 "[ . 1 . 2]" 2
337 1 27 LEU H 1 28 GLU QB . . 4.680 4.584 4.496 4.692 0.012 13 0 "[ . 1 . 2]" 2
338 1 30 VAL H 1 31 ASP H . . 3.670 2.625 2.336 2.724 . 0 0 "[ . 1 . 2]" 2
339 1 31 ASP H 1 31 ASP HB2 . . 3.490 2.531 2.425 2.628 . 0 0 "[ . 1 . 2]" 2
340 1 27 LEU HA 1 31 ASP H . . 4.730 3.990 3.764 4.143 . 0 0 "[ . 1 . 2]" 2
341 1 30 VAL HB 1 31 ASP H . . 4.330 4.294 4.209 4.353 0.023 13 0 "[ . 1 . 2]" 2
342 1 27 LEU HB3 1 31 ASP H . . 4.980 4.875 4.700 4.989 0.009 2 0 "[ . 1 . 2]" 2
343 1 23 GLU H 1 24 GLN H . . 3.820 2.834 2.319 3.041 . 0 0 "[ . 1 . 2]" 2
344 1 24 GLN H 1 24 GLN QB . . 3.150 2.484 2.347 2.592 . 0 0 "[ . 1 . 2]" 2
345 1 24 GLN H 1 27 LEU MD1 . . 4.780 4.267 3.923 4.764 . 0 0 "[ . 1 . 2]" 2
346 1 72 LEU HB2 1 73 ARG H . . 5.200 3.947 3.534 4.297 . 0 0 "[ . 1 . 2]" 2
347 1 26 TYR H 1 27 LEU H . . 3.860 2.911 2.677 3.121 . 0 0 "[ . 1 . 2]" 2
348 1 27 LEU H 1 29 ILE H . . 4.340 4.044 3.954 4.140 . 0 0 "[ . 1 . 2]" 2
349 1 25 TRP HA 1 27 LEU H . . 4.830 4.490 4.227 4.717 . 0 0 "[ . 1 . 2]" 2
350 1 24 GLN HA 1 27 LEU H . . 4.170 3.673 3.424 3.932 . 0 0 "[ . 1 . 2]" 2
351 1 26 TYR QB 1 27 LEU H . . 3.600 2.412 2.247 2.537 . 0 0 "[ . 1 . 2]" 2
352 1 24 GLN QB 1 27 LEU H . . 5.500 4.931 4.765 5.182 . 0 0 "[ . 1 . 2]" 2
353 1 27 LEU H 1 27 LEU HB2 . . 3.430 2.584 2.445 2.671 . 0 0 "[ . 1 . 2]" 2
354 1 27 LEU H 1 27 LEU HB3 . . 3.610 3.586 3.581 3.591 . 0 0 "[ . 1 . 2]" 2
355 1 27 LEU H 1 27 LEU MD1 . . 3.750 3.393 3.282 3.562 . 0 0 "[ . 1 . 2]" 2
356 1 27 LEU H 1 30 VAL MG1 . . 4.710 3.981 3.633 4.202 . 0 0 "[ . 1 . 2]" 2
357 1 30 VAL MG1 1 31 ASP H . . 4.040 3.811 3.779 3.850 . 0 0 "[ . 1 . 2]" 2
358 1 31 ASP H 1 31 ASP HB3 . . 3.530 2.852 2.796 2.921 . 0 0 "[ . 1 . 2]" 2
359 1 54 HIS H 1 55 MET H . . 3.640 2.630 2.375 2.782 . 0 0 "[ . 1 . 2]" 2
360 1 52 LYS HA 1 54 HIS H . . 4.350 4.180 3.753 4.350 0.000 13 0 "[ . 1 . 2]" 2
361 1 54 HIS H 1 54 HIS HB2 . . 3.550 2.751 2.586 3.006 . 0 0 "[ . 1 . 2]" 2
362 1 54 HIS H 1 54 HIS HB3 . . 3.550 2.383 2.225 2.486 . 0 0 "[ . 1 . 2]" 2
363 1 53 LYS QB 1 54 HIS H . . 3.450 2.803 2.663 3.150 . 0 0 "[ . 1 . 2]" 2
364 1 22 GLU HB3 1 23 GLU H . . 4.520 3.373 2.953 3.766 . 0 0 "[ . 1 . 2]" 2
365 1 16 TYR QD 1 23 GLU H . . 4.750 4.310 3.850 4.705 . 0 0 "[ . 1 . 2]" 2
366 1 20 SER HB2 1 23 GLU H . . 4.980 3.879 3.283 4.783 . 0 0 "[ . 1 . 2]" 2
367 1 23 GLU H 1 24 GLN HG3 . . 4.830 4.602 4.362 4.837 0.007 16 0 "[ . 1 . 2]" 2
368 1 23 GLU H 1 23 GLU HB2 . . 3.610 2.546 2.314 2.864 . 0 0 "[ . 1 . 2]" 2
369 1 22 GLU HB2 1 23 GLU H . . 4.110 2.486 2.202 3.053 . 0 0 "[ . 1 . 2]" 2
370 1 72 LEU HB3 1 73 ARG H . . 4.870 2.785 2.148 3.323 . 0 0 "[ . 1 . 2]" 2
371 1 83 MET HG3 1 84 ALA H . . 5.390 4.673 2.486 5.067 . 0 0 "[ . 1 . 2]" 2
372 1 53 LYS QG 1 54 HIS H . . 4.540 4.142 3.616 4.566 0.026 4 0 "[ . 1 . 2]" 2
373 1 51 LEU MD1 1 54 HIS H . . 4.880 4.530 4.152 4.745 . 0 0 "[ . 1 . 2]" 2
374 1 22 GLU H 1 23 GLU H . . 3.820 2.984 2.665 3.175 . 0 0 "[ . 1 . 2]" 2
375 1 20 SER HB3 1 23 GLU H . . 4.980 4.004 3.354 4.976 . 0 0 "[ . 1 . 2]" 2
376 1 23 GLU H 1 23 GLU HB3 . . 3.610 2.522 2.368 2.757 . 0 0 "[ . 1 . 2]" 2
377 1 81 HIS HA 1 84 ALA H . . 4.120 3.716 3.486 3.980 . 0 0 "[ . 1 . 2]" 2
378 1 83 MET HG2 1 84 ALA H . . 5.390 5.152 2.478 5.423 0.033 3 0 "[ . 1 . 2]" 2
379 1 82 VAL HB 1 84 ALA H . . 4.740 4.612 4.415 4.762 0.022 20 0 "[ . 1 . 2]" 2
380 1 84 ALA H 1 84 ALA MB . . 2.980 2.288 2.144 2.521 . 0 0 "[ . 1 . 2]" 2
381 1 53 LYS H 1 55 MET H . . 4.550 4.466 4.250 4.577 0.027 2 0 "[ . 1 . 2]" 2
382 1 54 HIS HD2 1 55 MET H . . 4.330 3.544 2.965 3.955 . 0 0 "[ . 1 . 2]" 2
383 1 53 LYS HA 1 55 MET H . . 4.910 4.844 4.625 4.921 0.011 14 0 "[ . 1 . 2]" 2
384 1 52 LYS HA 1 55 MET H . . 4.010 3.641 3.452 3.809 . 0 0 "[ . 1 . 2]" 2
385 1 54 HIS HB2 1 55 MET H . . 4.110 3.827 3.713 3.955 . 0 0 "[ . 1 . 2]" 2
386 1 54 HIS HB3 1 55 MET H . . 4.110 2.415 2.267 2.609 . 0 0 "[ . 1 . 2]" 2
387 1 55 MET H 1 55 MET HB2 . . 3.850 3.589 3.561 3.611 . 0 0 "[ . 1 . 2]" 2
388 1 55 MET H 1 55 MET HB3 . . 3.850 2.511 2.310 2.659 . 0 0 "[ . 1 . 2]" 2
389 1 55 MET H 1 58 CYS HB3 . . 5.460 4.299 4.005 4.833 . 0 0 "[ . 1 . 2]" 2
390 1 55 MET H 1 55 MET HG2 . . 4.050 2.350 2.067 3.111 . 0 0 "[ . 1 . 2]" 2
391 1 55 MET H 1 55 MET HG3 . . 4.050 3.257 2.029 3.893 . 0 0 "[ . 1 . 2]" 2
392 1 51 LEU HB2 1 55 MET H . . 5.500 5.500 5.308 5.569 0.069 18 0 "[ . 1 . 2]" 2
393 1 55 MET H 1 58 CYS HB2 . . 5.500 5.181 4.408 5.499 . 0 0 "[ . 1 . 2]" 2
394 1 51 LEU HG 1 55 MET H . . 4.700 3.538 3.329 3.874 . 0 0 "[ . 1 . 2]" 2
395 1 51 LEU MD1 1 55 MET H . . 4.570 3.473 3.041 3.648 . 0 0 "[ . 1 . 2]" 2
396 1 53 LYS HA 1 56 GLU H . . 3.960 3.635 3.473 3.809 . 0 0 "[ . 1 . 2]" 2
397 1 56 GLU H 1 56 GLU HG2 . . 3.770 3.060 2.539 3.781 0.011 10 0 "[ . 1 . 2]" 2
398 1 56 GLU H 1 56 GLU HB2 . . 3.730 2.359 2.158 3.561 . 0 0 "[ . 1 . 2]" 2
399 1 55 MET H 1 56 GLU H . . 3.740 2.573 2.484 2.646 . 0 0 "[ . 1 . 2]" 2
400 1 54 HIS H 1 56 GLU H . . 4.450 3.684 3.409 3.862 . 0 0 "[ . 1 . 2]" 2
401 1 56 GLU H 1 57 ASN HA . . 5.500 5.376 5.197 5.516 0.016 8 0 "[ . 1 . 2]" 2
402 1 54 HIS HA 1 56 GLU H . . 4.830 4.172 3.810 4.645 . 0 0 "[ . 1 . 2]" 2
403 1 86 HIS H 1 86 HIS HD2 . . 4.250 3.682 3.414 4.158 . 0 0 "[ . 1 . 2]" 2
404 1 83 MET HA 1 86 HIS H . . 4.890 4.603 3.973 4.867 . 0 0 "[ . 1 . 2]" 2
405 1 82 VAL HA 1 86 HIS H . . 3.920 2.910 2.447 3.366 . 0 0 "[ . 1 . 2]" 2
406 1 85 ASN HB2 1 86 HIS H . . 4.140 2.496 2.118 3.064 . 0 0 "[ . 1 . 2]" 2
407 1 85 ASN HB3 1 86 HIS H . . 4.140 3.481 3.095 4.146 0.006 5 0 "[ . 1 . 2]" 2
408 1 84 ALA MB 1 86 HIS H . . 4.710 4.408 4.054 4.649 . 0 0 "[ . 1 . 2]" 2
409 1 86 HIS H 1 87 ASN H . . 4.190 3.220 2.430 4.366 0.176 8 0 "[ . 1 . 2]" 2
410 1 85 ASN H 1 86 HIS H . . 3.210 2.492 1.883 2.893 . 0 0 "[ . 1 . 2]" 2
411 1 86 HIS H 1 86 HIS HB2 . . 4.010 2.670 2.548 2.952 . 0 0 "[ . 1 . 2]" 2
412 1 86 HIS H 1 86 HIS HB3 . . 4.010 3.654 3.597 3.886 . 0 0 "[ . 1 . 2]" 2
413 1 20 SER HB3 1 22 GLU H . . 4.330 3.085 2.569 4.340 0.010 5 0 "[ . 1 . 2]" 2
414 1 20 SER HB2 1 22 GLU H . . 4.330 3.720 2.637 4.334 0.004 17 0 "[ . 1 . 2]" 2
415 1 22 GLU H 1 22 GLU HG3 . . 4.130 2.526 1.967 3.458 . 0 0 "[ . 1 . 2]" 2
416 1 22 GLU H 1 23 GLU HB2 . . 5.500 5.410 5.225 5.497 . 0 0 "[ . 1 . 2]" 2
417 1 22 GLU H 1 22 GLU HG2 . . 4.130 3.700 3.224 4.056 . 0 0 "[ . 1 . 2]" 2
418 1 22 GLU H 1 23 GLU HB3 . . 5.500 5.093 4.810 5.393 . 0 0 "[ . 1 . 2]" 2
419 1 22 GLU H 1 22 GLU HB2 . . 3.580 2.508 2.310 2.717 . 0 0 "[ . 1 . 2]" 2
420 1 22 GLU H 1 22 GLU HB3 . . 3.890 3.596 3.558 3.625 . 0 0 "[ . 1 . 2]" 2
421 1 21 LEU HB2 1 22 GLU H . . 3.660 2.745 2.488 2.929 . 0 0 "[ . 1 . 2]" 2
422 1 21 LEU MD1 1 22 GLU H . . 4.750 4.541 4.250 4.760 0.010 18 0 "[ . 1 . 2]" 2
423 1 21 LEU HB3 1 22 GLU H . . 4.000 3.273 2.839 3.560 . 0 0 "[ . 1 . 2]" 2
424 1 68 CYS H 1 69 GLY HA2 . . 5.100 4.395 4.153 4.565 . 0 0 "[ . 1 . 2]" 2
425 1 68 CYS H 1 69 GLY HA3 . . 5.100 4.816 4.614 4.952 . 0 0 "[ . 1 . 2]" 2
426 1 68 CYS H 1 68 CYS HB2 . . 4.140 3.689 3.638 3.776 . 0 0 "[ . 1 . 2]" 2
427 1 68 CYS H 1 68 CYS HB3 . . 4.140 2.852 2.724 3.031 . 0 0 "[ . 1 . 2]" 2
428 1 65 CYS HB2 1 68 CYS H . . 4.670 4.585 4.461 4.675 0.005 1 0 "[ . 1 . 2]" 2
429 1 67 HIS HB2 1 68 CYS H . . 3.740 2.250 2.008 2.596 . 0 0 "[ . 1 . 2]" 2
430 1 67 HIS HB3 1 68 CYS H . . 3.740 3.095 2.788 3.346 . 0 0 "[ . 1 . 2]" 2
431 1 65 CYS HB3 1 68 CYS H . . 4.020 3.775 3.439 4.014 . 0 0 "[ . 1 . 2]" 2
432 1 37 CYS HB3 1 43 VAL H . . 4.840 3.223 3.017 3.600 . 0 0 "[ . 1 . 2]" 2
433 1 43 VAL H 1 43 VAL MG2 . . 3.690 2.226 2.023 2.397 . 0 0 "[ . 1 . 2]" 2
434 1 37 CYS H 1 43 VAL H . . 4.000 3.604 3.275 3.893 . 0 0 "[ . 1 . 2]" 2
435 1 41 GLN H 1 43 VAL H . . 4.450 4.339 4.110 4.442 . 0 0 "[ . 1 . 2]" 2
436 1 43 VAL H 1 54 HIS HE1 . . 5.380 5.180 4.755 5.390 0.010 20 0 "[ . 1 . 2]" 2
437 1 37 CYS HB2 1 43 VAL H . . 4.840 3.512 3.118 4.182 . 0 0 "[ . 1 . 2]" 2
438 1 42 ALA MB 1 43 VAL H . . 3.320 2.675 2.522 2.831 . 0 0 "[ . 1 . 2]" 2
439 1 43 VAL H 1 43 VAL MG1 . . 4.130 3.013 2.947 3.094 . 0 0 "[ . 1 . 2]" 2
440 1 17 ALA H 1 20 SER H . . 5.500 4.655 3.584 5.226 . 0 0 "[ . 1 . 2]" 2
441 1 18 ALA H 1 20 SER H . . 5.500 4.990 3.876 5.345 . 0 0 "[ . 1 . 2]" 2
442 1 20 SER H 1 21 LEU H . . 4.690 4.480 4.425 4.641 . 0 0 "[ . 1 . 2]" 2
443 1 19 GLY H 1 20 SER H . . 3.800 2.162 1.905 2.483 . 0 0 "[ . 1 . 2]" 2
444 1 20 SER H 1 23 GLU H . . 4.620 3.799 3.247 4.468 . 0 0 "[ . 1 . 2]" 2
445 1 20 SER H 1 20 SER HB3 . . 3.780 3.384 2.532 3.754 . 0 0 "[ . 1 . 2]" 2
446 1 20 SER H 1 20 SER HB2 . . 3.780 2.825 2.280 3.704 . 0 0 "[ . 1 . 2]" 2
447 1 20 SER H 1 23 GLU HB2 . . 4.410 3.505 2.971 4.411 0.001 18 0 "[ . 1 . 2]" 2
448 1 20 SER H 1 23 GLU HB3 . . 4.410 3.244 2.629 4.143 . 0 0 "[ . 1 . 2]" 2
449 1 17 ALA MB 1 20 SER H . . 3.970 3.360 2.342 3.951 . 0 0 "[ . 1 . 2]" 2
450 1 81 HIS HA 1 85 ASN HD21 . . 4.420 3.310 2.567 4.118 . 0 0 "[ . 1 . 2]" 2
451 1 84 ALA MB 1 85 ASN HD21 . . 4.240 3.065 2.346 4.160 . 0 0 "[ . 1 . 2]" 2
452 1 81 HIS HA 1 85 ASN HD22 . . 4.420 3.712 3.053 4.380 . 0 0 "[ . 1 . 2]" 2
453 1 30 VAL H 1 32 LYS H . . 4.690 4.364 4.097 4.692 0.002 9 0 "[ . 1 . 2]" 2
454 1 31 ASP H 1 32 LYS H . . 3.730 2.246 2.084 2.444 . 0 0 "[ . 1 . 2]" 2
455 1 32 LYS H 1 34 SER H . . 4.340 4.003 3.824 4.165 . 0 0 "[ . 1 . 2]" 2
456 1 32 LYS H 1 33 GLY HA3 . . 5.300 4.884 4.732 5.022 . 0 0 "[ . 1 . 2]" 2
457 1 31 ASP HB3 1 32 LYS H . . 3.810 2.520 2.203 2.836 . 0 0 "[ . 1 . 2]" 2
458 1 32 LYS H 1 32 LYS HB2 . . 3.910 2.720 2.652 2.772 . 0 0 "[ . 1 . 2]" 2
459 1 32 LYS H 1 32 LYS HB3 . . 3.910 3.711 3.632 3.769 . 0 0 "[ . 1 . 2]" 2
460 1 32 LYS H 1 32 LYS QD . . 4.310 3.764 3.574 4.091 . 0 0 "[ . 1 . 2]" 2
461 1 32 LYS H 1 32 LYS HG3 . . 4.120 3.712 3.293 3.933 . 0 0 "[ . 1 . 2]" 2
462 1 32 LYS H 1 33 GLY HA2 . . 5.300 4.414 4.250 4.632 . 0 0 "[ . 1 . 2]" 2
463 1 31 ASP HB2 1 32 LYS H . . 4.040 3.532 3.354 3.725 . 0 0 "[ . 1 . 2]" 2
464 1 65 CYS H 1 69 GLY H . . 4.560 4.420 4.084 4.597 0.037 18 0 "[ . 1 . 2]" 2
465 1 67 HIS H 1 69 GLY H . . 4.430 4.132 3.983 4.270 . 0 0 "[ . 1 . 2]" 2
466 1 65 CYS HB3 1 69 GLY H . . 3.890 2.518 2.078 2.820 . 0 0 "[ . 1 . 2]" 2
467 1 65 CYS HB2 1 69 GLY H . . 4.260 4.028 3.696 4.232 . 0 0 "[ . 1 . 2]" 2
468 1 69 GLY H 1 70 LYS HB2 . . 5.080 3.934 3.866 4.008 . 0 0 "[ . 1 . 2]" 2
469 1 64 THR MG 1 69 GLY H . . 4.720 4.487 4.226 4.717 . 0 0 "[ . 1 . 2]" 2
470 1 57 ASN H 1 59 LYS H . . 4.340 4.000 3.379 4.354 0.014 10 0 "[ . 1 . 2]" 2
471 1 57 ASN H 1 58 CYS HA . . 4.940 4.748 4.542 4.963 0.023 20 0 "[ . 1 . 2]" 2
472 1 55 MET HA 1 57 ASN H . . 4.630 3.969 3.303 4.343 . 0 0 "[ . 1 . 2]" 2
473 1 56 GLU H 1 57 ASN H . . 3.380 2.791 2.546 3.011 . 0 0 "[ . 1 . 2]" 2
474 1 54 HIS HA 1 57 ASN H . . 4.770 4.005 3.648 4.366 . 0 0 "[ . 1 . 2]" 2
475 1 57 ASN H 1 57 ASN HB2 . . 3.710 3.028 2.311 3.739 0.029 1 0 "[ . 1 . 2]" 2
476 1 57 ASN H 1 57 ASN HB3 . . 3.710 3.358 2.503 3.759 0.049 8 0 "[ . 1 . 2]" 2
477 1 56 GLU HB2 1 57 ASN H . . 3.840 2.996 2.660 3.850 0.010 16 0 "[ . 1 . 2]" 2
478 1 56 GLU HB3 1 57 ASN H . . 3.840 3.397 2.993 3.777 . 0 0 "[ . 1 . 2]" 2
479 1 57 ASN H 1 58 CYS HB2 . . 4.810 4.460 3.886 4.848 0.038 17 0 "[ . 1 . 2]" 2
480 1 65 CYS H 1 70 LYS HB3 . . 4.790 3.702 3.414 3.910 . 0 0 "[ . 1 . 2]" 2
481 1 65 CYS H 1 71 GLN HG2 . . 4.790 4.526 4.281 4.738 . 0 0 "[ . 1 . 2]" 2
482 1 65 CYS H 1 70 LYS H . . 4.020 3.366 3.140 3.560 . 0 0 "[ . 1 . 2]" 2
483 1 65 CYS H 1 71 GLN HA . . 4.080 3.995 3.870 4.105 0.025 3 0 "[ . 1 . 2]" 2
484 1 64 THR HA 1 65 CYS H . . 3.130 2.146 2.141 2.162 . 0 0 "[ . 1 . 2]" 2
485 1 65 CYS H 1 65 CYS HB3 . . 3.460 2.346 2.225 2.461 . 0 0 "[ . 1 . 2]" 2
486 1 65 CYS H 1 65 CYS HB2 . . 3.520 2.733 2.594 2.921 . 0 0 "[ . 1 . 2]" 2
487 1 18 ALA HA 1 19 GLY H . . 3.230 2.594 2.330 2.818 . 0 0 "[ . 1 . 2]" 2
488 1 17 ALA MB 1 19 GLY H . . 3.840 3.298 2.766 3.827 . 0 0 "[ . 1 . 2]" 2
489 1 24 GLN QB 1 24 GLN HE22 . . 4.660 3.895 3.314 4.137 . 0 0 "[ . 1 . 2]" 2
490 1 64 THR MG 1 71 GLN HE21 . . 4.180 3.195 2.257 4.096 . 0 0 "[ . 1 . 2]" 2
491 1 71 GLN HB3 1 71 GLN HE22 . . 4.860 3.969 3.516 4.317 . 0 0 "[ . 1 . 2]" 2
492 1 41 GLN HA 1 41 GLN HE21 . . 4.690 4.538 4.162 4.695 0.005 20 0 "[ . 1 . 2]" 2
493 1 38 PRO HA 1 41 GLN HE21 . . 4.300 2.939 2.728 3.305 . 0 0 "[ . 1 . 2]" 2
494 1 41 GLN HB3 1 41 GLN HE22 . . 4.970 4.284 3.932 4.392 . 0 0 "[ . 1 . 2]" 2
495 1 82 VAL HA 1 85 ASN H . . 4.620 3.811 3.541 4.177 . 0 0 "[ . 1 . 2]" 2
496 1 32 LYS H 1 33 GLY H . . 3.310 2.274 2.093 2.407 . 0 0 "[ . 1 . 2]" 2
497 1 31 ASP H 1 33 GLY H . . 4.400 3.603 3.217 3.861 . 0 0 "[ . 1 . 2]" 2
498 1 29 ILE HA 1 33 GLY H . . 3.980 2.066 1.915 2.333 . 0 0 "[ . 1 . 2]" 2
499 1 31 ASP HB3 1 33 GLY H . . 5.040 4.764 4.535 5.021 . 0 0 "[ . 1 . 2]" 2
500 1 32 LYS HB2 1 33 GLY H . . 4.110 2.386 2.200 2.618 . 0 0 "[ . 1 . 2]" 2
501 1 32 LYS HB3 1 33 GLY H . . 4.110 3.692 3.524 3.914 . 0 0 "[ . 1 . 2]" 2
502 1 29 ILE MG 1 33 GLY H . . 4.230 3.390 3.142 3.797 . 0 0 "[ . 1 . 2]" 2
503 1 84 ALA H 1 85 ASN H . . 3.480 2.422 1.814 2.895 . 0 0 "[ . 1 . 2]" 2
504 1 85 ASN H 1 85 ASN HB2 . . 3.670 2.538 2.270 3.520 . 0 0 "[ . 1 . 2]" 2
505 1 85 ASN H 1 85 ASN HB3 . . 3.670 3.601 3.065 3.787 0.117 5 0 "[ . 1 . 2]" 2
506 1 84 ALA MB 1 85 ASN H . . 3.520 2.335 1.875 2.944 . 0 0 "[ . 1 . 2]" 2
507 1 43 VAL H 1 44 GLY H . . 4.430 4.403 4.323 4.462 0.032 19 0 "[ . 1 . 2]" 2
508 1 44 GLY H 1 45 ARG H . . 4.550 4.423 4.188 4.535 . 0 0 "[ . 1 . 2]" 2
509 1 43 VAL HA 1 44 GLY H . . 2.920 2.289 2.173 2.537 . 0 0 "[ . 1 . 2]" 2
510 1 43 VAL HB 1 44 GLY H . . 3.580 2.749 2.122 3.134 . 0 0 "[ . 1 . 2]" 2
511 1 43 VAL MG2 1 44 GLY H . . 3.970 3.672 3.078 3.960 . 0 0 "[ . 1 . 2]" 2
512 1 74 SER H 1 75 LEU H . . 4.770 4.449 4.250 4.605 . 0 0 "[ . 1 . 2]" 2
513 1 74 SER H 1 77 GLY H . . 5.500 5.258 4.930 5.523 0.023 18 0 "[ . 1 . 2]" 2
514 1 73 ARG HB2 1 74 SER H . . 4.230 3.301 2.261 4.037 . 0 0 "[ . 1 . 2]" 2
515 1 72 LEU HB3 1 74 SER H . . 3.700 3.011 2.426 3.394 . 0 0 "[ . 1 . 2]" 2
516 1 73 ARG HB3 1 74 SER H . . 4.230 3.233 2.218 4.192 . 0 0 "[ . 1 . 2]" 2
517 1 72 LEU MD1 1 74 SER H . . 5.190 4.717 4.106 5.174 . 0 0 "[ . 1 . 2]" 2
518 1 72 LEU MD2 1 74 SER H . . 5.440 4.180 3.692 4.565 . 0 0 "[ . 1 . 2]" 2
519 1 25 TRP HE1 1 51 LEU MD2 . . 4.800 4.283 3.769 4.786 . 0 0 "[ . 1 . 2]" 2
520 1 33 GLY H 1 34 SER H . . 3.420 2.069 1.933 2.250 . 0 0 "[ . 1 . 2]" 2
521 1 32 LYS HB3 1 34 SER H . . 3.890 3.853 3.746 3.945 0.055 13 0 "[ . 1 . 2]" 2
522 1 29 ILE HG13 1 34 SER H . . 4.720 4.527 4.262 4.695 . 0 0 "[ . 1 . 2]" 2
523 1 29 ILE MG 1 34 SER H . . 4.030 3.539 3.265 3.784 . 0 0 "[ . 1 . 2]" 2
524 1 34 SER H 1 35 VAL H . . 4.650 4.341 4.216 4.394 . 0 0 "[ . 1 . 2]" 2
525 1 29 ILE HA 1 34 SER H . . 3.580 2.436 2.176 2.682 . 0 0 "[ . 1 . 2]" 2
526 1 32 LYS HB2 1 34 SER H . . 3.890 2.520 2.419 2.601 . 0 0 "[ . 1 . 2]" 2
527 1 32 LYS HG3 1 34 SER H . . 5.050 4.703 4.466 4.813 . 0 0 "[ . 1 . 2]" 2
528 1 25 TRP HA 1 25 TRP HE1 . . 4.910 4.751 4.565 4.832 . 0 0 "[ . 1 . 2]" 2
529 1 25 TRP HE1 1 38 PRO HB3 . . 4.390 2.696 1.903 3.239 . 0 0 "[ . 1 . 2]" 2
530 1 21 LEU MD1 1 25 TRP HE1 . . 3.940 3.876 3.696 3.940 0.000 5 0 "[ . 1 . 2]" 2
531 1 21 LEU MD2 1 25 TRP HE1 . . 3.880 2.696 2.018 3.479 . 0 0 "[ . 1 . 2]" 2
532 1 25 TRP HE1 1 38 PRO HB2 . . 4.390 3.774 3.117 4.383 . 0 0 "[ . 1 . 2]" 2
533 1 18 ALA H 1 19 GLY H . . 4.730 3.486 2.630 3.971 . 0 0 "[ . 1 . 2]" 2
534 1 17 ALA HA 1 18 ALA H . . 3.150 2.461 2.212 3.188 0.038 13 0 "[ . 1 . 2]" 2
535 1 17 ALA MB 1 18 ALA H . . 3.370 2.454 2.124 3.398 0.028 13 0 "[ . 1 . 2]" 2
536 1 79 LYS H 1 80 TYR H . . 3.550 2.852 2.707 2.913 . 0 0 "[ . 1 . 2]" 2
537 1 40 CYS H 1 41 GLN H . . 3.280 2.120 1.882 2.317 . 0 0 "[ . 1 . 2]" 2
538 1 41 GLN H 1 42 ALA H . . 3.700 2.730 2.628 2.896 . 0 0 "[ . 1 . 2]" 2
539 1 23 GLU HB3 1 24 GLN H . . 4.240 2.448 2.219 2.710 . 0 0 "[ . 1 . 2]" 2
540 1 23 GLU HB2 1 24 GLN H . . 4.240 3.814 3.598 4.002 . 0 0 "[ . 1 . 2]" 2
541 1 23 GLU HG2 1 24 GLN H . . 4.680 4.019 3.156 4.669 . 0 0 "[ . 1 . 2]" 2
542 1 27 LEU H 1 27 LEU HG . . 3.360 2.066 1.930 2.314 . 0 0 "[ . 1 . 2]" 2
543 1 29 ILE H 1 29 ILE HB . . 3.340 2.572 2.473 2.710 . 0 0 "[ . 1 . 2]" 2
544 1 26 TYR HA 1 29 ILE H . . 4.080 3.690 3.568 3.771 . 0 0 "[ . 1 . 2]" 2
545 1 32 LYS H 1 32 LYS HG2 . . 3.970 2.264 1.891 2.488 . 0 0 "[ . 1 . 2]" 2
546 1 29 ILE HG13 1 33 GLY H . . 5.150 4.820 4.613 5.055 . 0 0 "[ . 1 . 2]" 2
547 1 32 LYS QD 1 33 GLY H . . 5.500 4.847 4.650 5.152 . 0 0 "[ . 1 . 2]" 2
548 1 30 VAL H 1 33 GLY H . . 4.780 4.575 4.248 4.768 . 0 0 "[ . 1 . 2]" 2
549 1 32 LYS HG2 1 34 SER H . . 4.880 4.747 4.614 4.867 . 0 0 "[ . 1 . 2]" 2
550 1 29 ILE H 1 34 SER H . . 5.410 5.056 4.717 5.274 . 0 0 "[ . 1 . 2]" 2
551 1 39 THR H 1 41 GLN HG3 . . 5.500 4.224 3.861 4.469 . 0 0 "[ . 1 . 2]" 2
552 1 37 CYS HB2 1 41 GLN H . . 4.070 3.815 3.656 4.073 0.003 14 0 "[ . 1 . 2]" 2
553 1 35 VAL H 1 45 ARG H . . 3.620 3.083 2.533 3.618 . 0 0 "[ . 1 . 2]" 2
554 1 71 GLN H 1 71 GLN HB2 . . 3.300 2.595 2.483 2.660 . 0 0 "[ . 1 . 2]" 2
555 1 73 ARG H 1 74 SER H . . 4.080 2.605 2.175 2.923 . 0 0 "[ . 1 . 2]" 2
556 1 79 LYS H 1 79 LYS QB . . 3.050 2.393 2.231 2.610 . 0 0 "[ . 1 . 2]" 2
557 1 80 TYR H 1 81 HIS HB3 . . 4.570 4.290 4.084 4.418 . 0 0 "[ . 1 . 2]" 2
558 1 84 ALA H 1 86 HIS H . . 4.210 3.660 2.914 4.227 0.017 10 0 "[ . 1 . 2]" 2
559 1 68 CYS H 1 86 HIS HE1 . . 4.220 3.621 2.875 4.115 . 0 0 "[ . 1 . 2]" 2
560 1 54 HIS HE1 1 58 CYS HB3 . . 5.500 4.823 3.922 5.460 . 0 0 "[ . 1 . 2]" 2
561 1 54 HIS HE1 1 58 CYS HB2 . . 4.630 3.694 2.476 4.221 . 0 0 "[ . 1 . 2]" 2
562 1 68 CYS HA 1 86 HIS HE1 . . 4.290 3.908 3.601 4.176 . 0 0 "[ . 1 . 2]" 2
563 1 68 CYS HB2 1 86 HIS HE1 . . 3.860 3.704 3.606 3.757 . 0 0 "[ . 1 . 2]" 2
564 1 68 CYS HB3 1 86 HIS HE1 . . 3.860 2.016 1.984 2.080 . 0 0 "[ . 1 . 2]" 2
565 1 70 LYS HB2 1 81 HIS HE1 . . 4.300 4.019 3.365 4.323 0.023 19 0 "[ . 1 . 2]" 2
566 1 70 LYS HD3 1 81 HIS HE1 . . 4.770 4.545 4.127 4.794 0.024 1 0 "[ . 1 . 2]" 2
567 1 70 LYS HB3 1 81 HIS HE1 . . 4.060 3.122 2.219 3.602 . 0 0 "[ . 1 . 2]" 2
568 1 80 TYR QD 1 81 HIS H . . 4.240 3.991 3.566 4.264 0.024 10 0 "[ . 1 . 2]" 2
569 1 80 TYR H 1 80 TYR QD . . 4.310 4.192 3.998 4.262 . 0 0 "[ . 1 . 2]" 2
570 1 80 TYR HA 1 80 TYR QD . . 3.380 2.789 2.300 3.130 . 0 0 "[ . 1 . 2]" 2
571 1 26 TYR QD 1 27 LEU HG . . 4.190 3.373 3.188 3.487 . 0 0 "[ . 1 . 2]" 2
572 1 26 TYR QD 1 27 LEU HA . . 4.270 3.521 3.310 3.753 . 0 0 "[ . 1 . 2]" 2
573 1 23 GLU HA 1 26 TYR QD . . 4.630 4.136 3.849 4.450 . 0 0 "[ . 1 . 2]" 2
574 1 26 TYR QD 1 27 LEU H . . 4.070 3.347 3.157 3.518 . 0 0 "[ . 1 . 2]" 2
575 1 26 TYR HA 1 26 TYR QD . . 3.420 2.592 2.468 2.720 . 0 0 "[ . 1 . 2]" 2
576 1 26 TYR QD 1 29 ILE HB . . 4.180 4.051 3.818 4.179 . 0 0 "[ . 1 . 2]" 2
577 1 26 TYR QD 1 48 ILE HG12 . . 4.900 4.548 3.120 4.927 0.027 13 0 "[ . 1 . 2]" 2
578 1 26 TYR QD 1 27 LEU MD2 . . 3.700 3.036 2.638 3.203 . 0 0 "[ . 1 . 2]" 2
579 1 26 TYR QD 1 29 ILE MD . . 3.640 3.115 2.723 3.382 . 0 0 "[ . 1 . 2]" 2
580 1 26 TYR QD 1 30 VAL MG2 . . 4.460 3.723 3.588 3.957 . 0 0 "[ . 1 . 2]" 2
581 1 26 TYR QD 1 48 ILE HG13 . . 4.900 3.650 3.209 3.930 . 0 0 "[ . 1 . 2]" 2
582 1 26 TYR H 1 26 TYR QD . . 4.220 4.195 4.178 4.210 . 0 0 "[ . 1 . 2]" 2
583 1 16 TYR HA 1 16 TYR QD . . 3.850 3.052 2.379 3.704 . 0 0 "[ . 1 . 2]" 2
584 1 16 TYR QD 1 23 GLU HA . . 4.000 3.421 2.769 3.854 . 0 0 "[ . 1 . 2]" 2
585 1 16 TYR QD 1 26 TYR QB . . 4.000 3.551 2.643 3.987 . 0 0 "[ . 1 . 2]" 2
586 1 14 PRO HG2 1 16 TYR QD . . 4.390 2.116 1.997 2.479 . 0 0 "[ . 1 . 2]" 2
587 1 16 TYR QD 1 22 GLU HB2 . . 4.010 3.457 2.576 3.986 . 0 0 "[ . 1 . 2]" 2
588 1 16 TYR QD 1 22 GLU HB3 . . 4.370 2.465 2.000 3.183 . 0 0 "[ . 1 . 2]" 2
589 1 62 MET HA 1 63 PHE QE . . 5.180 4.245 3.345 5.076 . 0 0 "[ . 1 . 2]" 2
590 1 63 PHE QE 1 74 SER HA . . 5.500 4.366 3.340 5.496 . 0 0 "[ . 1 . 2]" 2
591 1 63 PHE QE 1 75 LEU HB3 . . 4.600 4.047 3.596 4.603 0.003 14 0 "[ . 1 . 2]" 2
592 1 63 PHE QE 1 75 LEU MD2 . . 4.800 3.620 3.024 4.314 . 0 0 "[ . 1 . 2]" 2
593 1 63 PHE HA 1 63 PHE QD . . 3.680 2.678 2.020 3.216 . 0 0 "[ . 1 . 2]" 2
594 1 63 PHE QD 1 75 LEU MD1 . . 4.140 2.612 2.328 2.956 . 0 0 "[ . 1 . 2]" 2
595 1 63 PHE H 1 63 PHE QE . . 5.010 4.660 4.227 5.045 0.035 18 0 "[ . 1 . 2]" 2
596 1 63 PHE HZ 1 75 LEU MD1 . . 4.860 3.611 2.881 4.120 . 0 0 "[ . 1 . 2]" 2
597 1 63 PHE HZ 1 75 LEU MD2 . . 5.170 3.912 3.074 4.995 . 0 0 "[ . 1 . 2]" 2
598 1 65 CYS HB2 1 81 HIS HD2 . . 4.970 4.987 4.950 5.023 0.053 17 0 "[ . 1 . 2]" 2
599 1 67 HIS HB3 1 86 HIS HD2 . . 4.720 4.148 3.479 4.656 . 0 0 "[ . 1 . 2]" 2
600 1 81 HIS HD2 1 86 HIS HD2 . . 4.030 3.316 2.875 3.618 . 0 0 "[ . 1 . 2]" 2
601 1 67 HIS HB2 1 86 HIS HD2 . . 4.720 3.283 2.692 3.830 . 0 0 "[ . 1 . 2]" 2
602 1 82 VAL HB 1 86 HIS HD2 . . 5.010 4.135 3.862 4.537 . 0 0 "[ . 1 . 2]" 2
603 1 25 TRP HA 1 25 TRP HD1 . . 3.270 2.250 2.080 2.325 . 0 0 "[ . 1 . 2]" 2
604 1 25 TRP HD1 1 28 GLU QB . . 5.010 4.316 4.018 4.575 . 0 0 "[ . 1 . 2]" 2
605 1 25 TRP HD1 1 35 VAL MG2 . . 3.650 2.775 2.248 3.235 . 0 0 "[ . 1 . 2]" 2
606 1 25 TRP HD1 1 35 VAL MG1 . . 5.500 4.879 4.303 5.393 . 0 0 "[ . 1 . 2]" 2
607 1 25 TRP HZ3 1 52 LYS QD . . 4.520 4.077 2.596 4.585 0.065 17 0 "[ . 1 . 2]" 2
608 1 67 HIS HD2 1 82 VAL MG1 . . 4.490 3.544 2.167 4.420 . 0 0 "[ . 1 . 2]" 2
609 1 22 GLU HA 1 25 TRP HE3 . . 4.070 2.372 2.106 2.931 . 0 0 "[ . 1 . 2]" 2
610 1 67 HIS HD2 1 82 VAL MG2 . . 4.310 3.623 2.374 4.295 . 0 0 "[ . 1 . 2]" 2
611 1 26 TYR QE 1 27 LEU HG . . 5.430 5.363 5.174 5.431 0.001 9 0 "[ . 1 . 2]" 2
612 1 26 TYR QE 1 30 VAL HB . . 4.410 4.274 4.153 4.411 0.001 8 0 "[ . 1 . 2]" 2
613 1 26 TYR QE 1 27 LEU MD2 . . 4.010 3.935 3.675 4.016 0.006 13 0 "[ . 1 . 2]" 2
614 1 26 TYR QE 1 30 VAL MG2 . . 4.140 3.525 3.325 3.769 . 0 0 "[ . 1 . 2]" 2
615 1 26 TYR QE 1 30 VAL MG1 . . 3.470 2.411 2.223 2.597 . 0 0 "[ . 1 . 2]" 2
616 1 80 TYR QE 1 84 ALA MB . . 3.800 3.201 2.452 3.761 . 0 0 "[ . 1 . 2]" 2
617 1 16 TYR QE 1 26 TYR QD . . 4.060 3.186 2.556 3.499 . 0 0 "[ . 1 . 2]" 2
618 1 16 TYR QE 1 26 TYR QB . . 3.930 3.002 2.300 3.558 . 0 0 "[ . 1 . 2]" 2
619 1 14 PRO HB2 1 16 TYR QE . . 4.210 3.065 2.571 3.459 . 0 0 "[ . 1 . 2]" 2
620 1 14 PRO HG2 1 16 TYR QE . . 4.200 3.647 2.563 4.201 0.001 8 0 "[ . 1 . 2]" 2
621 1 14 PRO HG3 1 16 TYR QE . . 4.170 3.389 2.238 4.085 . 0 0 "[ . 1 . 2]" 2
622 1 14 PRO HB3 1 16 TYR QE . . 4.210 3.788 3.207 4.207 . 0 0 "[ . 1 . 2]" 2
623 1 16 TYR QE 1 48 ILE MD . . 3.890 3.098 2.058 3.836 . 0 0 "[ . 1 . 2]" 2
624 1 16 TYR QE 1 30 VAL MG1 . . 5.300 5.011 4.499 5.295 . 0 0 "[ . 1 . 2]" 2
625 1 76 ALA MB 1 77 GLY QA . . 4.410 3.377 3.317 3.462 . 0 0 "[ . 1 . 2]" 2
626 1 72 LEU HB3 1 77 GLY QA . . 4.530 4.411 3.970 4.560 0.030 1 0 "[ . 1 . 2]" 2
627 1 72 LEU MD1 1 77 GLY QA . . 4.410 3.058 2.748 3.331 . 0 0 "[ . 1 . 2]" 2
628 1 50 GLY HA3 1 53 LYS QB . . 4.850 4.603 4.042 4.877 0.027 18 0 "[ . 1 . 2]" 2
629 1 50 GLY HA2 1 53 LYS QB . . 4.000 3.262 2.662 3.517 . 0 0 "[ . 1 . 2]" 2
630 1 29 ILE MD 1 30 VAL H . . 4.270 4.088 3.881 4.282 0.012 3 0 "[ . 1 . 2]" 2
631 1 29 ILE MD 1 46 LYS HA . . 5.240 4.993 4.391 5.278 0.038 17 0 "[ . 1 . 2]" 2
632 1 26 TYR H 1 29 ILE MD . . 4.930 3.909 3.501 4.324 . 0 0 "[ . 1 . 2]" 2
633 1 29 ILE MD 1 35 VAL H . . 5.180 3.607 3.091 4.180 . 0 0 "[ . 1 . 2]" 2
634 1 25 TRP HA 1 29 ILE MD . . 4.960 4.499 4.016 4.949 . 0 0 "[ . 1 . 2]" 2
635 1 29 ILE MD 1 47 THR HB . . 5.290 3.765 3.250 4.386 . 0 0 "[ . 1 . 2]" 2
636 1 29 ILE MD 1 34 SER HA . . 4.510 3.734 3.486 4.271 . 0 0 "[ . 1 . 2]" 2
637 1 29 ILE MD 1 48 ILE HA . . 4.560 3.543 3.289 3.928 . 0 0 "[ . 1 . 2]" 2
638 1 26 TYR QB 1 29 ILE MD . . 4.340 3.746 3.556 3.902 . 0 0 "[ . 1 . 2]" 2
639 1 29 ILE HA 1 29 ILE MD . . 4.700 3.910 3.866 3.963 . 0 0 "[ . 1 . 2]" 2
640 1 29 ILE MD 1 48 ILE HB . . 4.800 4.376 3.835 4.734 . 0 0 "[ . 1 . 2]" 2
641 1 29 ILE HB 1 29 ILE MD . . 3.340 2.222 2.072 2.378 . 0 0 "[ . 1 . 2]" 2
642 1 29 ILE MD 1 48 ILE HG12 . . 4.040 2.692 1.950 2.990 . 0 0 "[ . 1 . 2]" 2
643 1 29 ILE MD 1 47 THR MG . . 4.410 2.939 2.101 4.243 . 0 0 "[ . 1 . 2]" 2
644 1 26 TYR H 1 48 ILE MD . . 3.840 2.514 1.879 2.907 . 0 0 "[ . 1 . 2]" 2
645 1 25 TRP H 1 48 ILE MD . . 4.350 4.083 3.722 4.350 . 0 0 "[ . 1 . 2]" 2
646 1 25 TRP HE3 1 48 ILE MD . . 3.670 2.825 2.289 3.265 . 0 0 "[ . 1 . 2]" 2
647 1 26 TYR QD 1 48 ILE MD . . 3.740 3.075 2.460 3.750 0.010 18 0 "[ . 1 . 2]" 2
648 1 26 TYR HA 1 48 ILE MD . . 3.700 2.665 2.000 3.063 . 0 0 "[ . 1 . 2]" 2
649 1 48 ILE HA 1 48 ILE MD . . 4.120 3.532 2.044 3.920 . 0 0 "[ . 1 . 2]" 2
650 1 25 TRP HB2 1 48 ILE MD . . 3.630 2.273 1.979 2.656 . 0 0 "[ . 1 . 2]" 2
651 1 26 TYR QB 1 48 ILE MD . . 3.420 2.241 1.886 2.938 . 0 0 "[ . 1 . 2]" 2
652 1 22 GLU HB3 1 48 ILE MD . . 3.950 3.052 2.504 3.738 . 0 0 "[ . 1 . 2]" 2
653 1 16 TYR QD 1 48 ILE MD . . 4.040 3.494 2.669 4.037 . 0 0 "[ . 1 . 2]" 2
654 1 25 TRP HA 1 48 ILE MD . . 4.890 4.571 3.741 4.918 0.028 17 0 "[ . 1 . 2]" 2
655 1 25 TRP HB3 1 48 ILE MD . . 3.630 3.228 2.017 3.635 0.005 13 0 "[ . 1 . 2]" 2
656 1 48 ILE HB 1 48 ILE MD . . 3.550 2.535 2.280 3.222 . 0 0 "[ . 1 . 2]" 2
657 1 29 ILE MD 1 48 ILE MD . . 3.380 3.037 2.157 3.405 0.025 17 0 "[ . 1 . 2]" 2
658 1 48 ILE MD 1 51 LEU MD2 . . 4.700 4.156 2.930 4.667 . 0 0 "[ . 1 . 2]" 2
659 1 9 ILE HA 1 9 ILE MD . . 4.390 3.557 1.969 4.177 . 0 0 "[ . 1 . 2]" 2
660 1 92 GLY HA2 1 93 PRO QD . . 3.320 2.274 1.858 3.308 . 0 0 "[ . 1 . 2]" 2
661 1 8 ARG HA 1 8 ARG QD . . 4.410 3.576 2.001 4.338 . 0 0 "[ . 1 . 2]" 2
662 1 10 ARG HA 1 10 ARG QD . . 4.750 3.375 1.988 4.558 . 0 0 "[ . 1 . 2]" 2
663 1 8 ARG HB3 1 8 ARG QD . . 3.730 2.653 2.086 3.471 . 0 0 "[ . 1 . 2]" 2
664 1 8 ARG HB2 1 8 ARG QD . . 3.730 2.671 2.139 3.294 . 0 0 "[ . 1 . 2]" 2
665 1 73 ARG HA 1 73 ARG QD . . 4.380 3.751 2.142 4.332 . 0 0 "[ . 1 . 2]" 2
666 1 28 GLU HA 1 31 ASP HB2 . . 3.990 3.812 3.578 4.018 0.028 15 0 "[ . 1 . 2]" 2
667 1 27 LEU HB2 1 31 ASP HB2 . . 5.500 4.967 4.760 5.187 . 0 0 "[ . 1 . 2]" 2
668 1 30 VAL HB 1 31 ASP HB2 . . 5.500 5.474 5.351 5.540 0.040 18 0 "[ . 1 . 2]" 2
669 1 27 LEU HB3 1 31 ASP HB2 . . 4.560 3.720 3.546 4.018 . 0 0 "[ . 1 . 2]" 2
670 1 31 ASP HB3 1 32 LYS QD . . 4.460 3.756 3.572 3.987 . 0 0 "[ . 1 . 2]" 2
671 1 31 ASP HB3 1 32 LYS HG3 . . 4.200 4.112 3.997 4.185 . 0 0 "[ . 1 . 2]" 2
672 1 31 ASP H 1 32 LYS QE . . 4.810 4.554 4.240 4.805 . 0 0 "[ . 1 . 2]" 2
673 1 52 LYS QB 1 52 LYS HE3 . . 4.280 3.576 2.048 4.246 . 0 0 "[ . 1 . 2]" 2
674 1 48 ILE MG 1 52 LYS HE3 . . 3.880 2.711 1.776 3.931 0.051 17 0 "[ . 1 . 2]" 2
675 1 32 LYS HA 1 32 LYS QE . . 4.470 3.037 1.982 3.835 . 0 0 "[ . 1 . 2]" 2
676 1 32 LYS HB2 1 32 LYS QE . . 4.360 4.066 3.738 4.297 . 0 0 "[ . 1 . 2]" 2
677 1 32 LYS HB3 1 32 LYS QE . . 4.360 3.756 3.139 4.115 . 0 0 "[ . 1 . 2]" 2
678 1 28 GLU HA 1 32 LYS QE . . 4.560 4.145 3.753 4.539 . 0 0 "[ . 1 . 2]" 2
679 1 32 LYS QE 1 32 LYS HG2 . . 3.230 2.158 2.087 2.252 . 0 0 "[ . 1 . 2]" 2
680 1 52 LYS QB 1 52 LYS HE2 . . 4.280 3.748 2.831 4.266 . 0 0 "[ . 1 . 2]" 2
681 1 53 LYS QB 1 53 LYS QE . . 4.450 3.234 2.085 3.808 . 0 0 "[ . 1 . 2]" 2
682 1 48 ILE MG 1 52 LYS HE2 . . 3.880 2.983 1.936 3.875 . 0 0 "[ . 1 . 2]" 2
683 1 59 LYS QE 1 59 LYS QG . . 3.210 2.221 2.092 2.837 . 0 0 "[ . 1 . 2]" 2
684 1 79 LYS QB 1 79 LYS QE . . 4.190 2.955 1.965 3.652 . 0 0 "[ . 1 . 2]" 2
685 1 53 LYS HA 1 53 LYS QE . . 4.430 4.033 2.105 4.443 0.013 19 0 "[ . 1 . 2]" 2
686 1 46 LYS QE 1 46 LYS QG . . 3.340 2.208 2.040 2.537 . 0 0 "[ . 1 . 2]" 2
687 1 24 GLN HA 1 27 LEU HB2 . . 4.350 3.443 3.026 3.674 . 0 0 "[ . 1 . 2]" 2
688 1 63 PHE QE 1 75 LEU HB2 . . 4.600 2.470 1.999 3.338 . 0 0 "[ . 1 . 2]" 2
689 1 63 PHE H 1 63 PHE HB2 . . 4.080 2.864 2.626 3.031 . 0 0 "[ . 1 . 2]" 2
690 1 63 PHE HB3 1 78 MET ME . . 4.030 3.147 2.757 3.662 . 0 0 "[ . 1 . 2]" 2
691 1 21 LEU H 1 21 LEU HB2 . . 3.840 2.230 2.160 2.349 . 0 0 "[ . 1 . 2]" 2
692 1 21 LEU HB2 1 21 LEU MD1 . . 3.670 2.205 2.137 2.282 . 0 0 "[ . 1 . 2]" 2
693 1 16 TYR HB3 1 23 GLU HB2 . . 5.500 3.583 2.532 4.379 . 0 0 "[ . 1 . 2]" 2
694 1 16 TYR HB2 1 23 GLU HA . . 4.530 3.559 2.577 4.265 . 0 0 "[ . 1 . 2]" 2
695 1 16 TYR HB3 1 23 GLU HA . . 4.530 3.564 2.346 4.298 . 0 0 "[ . 1 . 2]" 2
696 1 9 ILE HB 1 9 ILE MD . . 3.750 2.452 2.123 3.228 . 0 0 "[ . 1 . 2]" 2
697 1 26 TYR QB 1 27 LEU HG . . 4.770 3.334 3.205 3.546 . 0 0 "[ . 1 . 2]" 2
698 1 79 LYS QB 1 80 TYR QB . . 4.370 3.944 3.857 4.004 . 0 0 "[ . 1 . 2]" 2
699 1 77 GLY QA 1 80 TYR QB . . 3.870 2.964 2.799 3.100 . 0 0 "[ . 1 . 2]" 2
700 1 29 ILE HB 1 30 VAL H . . 4.010 2.363 2.161 2.800 . 0 0 "[ . 1 . 2]" 2
701 1 23 GLU H 1 23 GLU HG2 . . 4.740 4.557 4.378 4.644 . 0 0 "[ . 1 . 2]" 2
702 1 23 GLU HA 1 23 GLU HG2 . . 4.240 3.646 3.260 3.875 . 0 0 "[ . 1 . 2]" 2
703 1 23 GLU HG2 1 27 LEU MD1 . . 4.300 3.585 2.624 4.275 . 0 0 "[ . 1 . 2]" 2
704 1 23 GLU HA 1 23 GLU HG3 . . 4.240 2.813 2.286 3.276 . 0 0 "[ . 1 . 2]" 2
705 1 49 GLU H 1 49 GLU HG2 . . 4.410 3.285 2.066 4.391 . 0 0 "[ . 1 . 2]" 2
706 1 49 GLU HA 1 49 GLU HG2 . . 3.840 2.836 2.232 3.721 . 0 0 "[ . 1 . 2]" 2
707 1 28 GLU HA 1 28 GLU HG2 . . 3.800 3.372 2.182 3.732 . 0 0 "[ . 1 . 2]" 2
708 1 28 GLU HG2 1 29 ILE HG13 . . 5.500 4.871 4.019 5.656 0.156 15 0 "[ . 1 . 2]" 2
709 1 28 GLU H 1 28 GLU HG3 . . 4.750 4.264 2.839 4.586 . 0 0 "[ . 1 . 2]" 2
710 1 28 GLU HG3 1 29 ILE HG13 . . 5.500 5.060 4.129 5.640 0.140 15 0 "[ . 1 . 2]" 2
711 1 28 GLU HG3 1 35 VAL MG2 . . 4.520 4.055 2.765 4.517 . 0 0 "[ . 1 . 2]" 2
712 1 49 GLU HA 1 49 GLU HG3 . . 3.840 3.174 2.472 3.847 0.007 7 0 "[ . 1 . 2]" 2
713 1 56 GLU H 1 56 GLU HG3 . . 3.770 3.457 2.859 3.775 0.005 16 0 "[ . 1 . 2]" 2
714 1 12 GLU HA 1 12 GLU QG . . 3.730 2.746 2.183 3.492 . 0 0 "[ . 1 . 2]" 2
715 1 43 VAL H 1 43 VAL HB . . 4.130 3.839 3.775 3.874 . 0 0 "[ . 1 . 2]" 2
716 1 82 VAL HA 1 86 HIS HD2 . . 3.210 2.121 1.978 2.346 . 0 0 "[ . 1 . 2]" 2
717 1 81 HIS HD2 1 82 VAL HA . . 4.200 2.453 2.305 2.730 . 0 0 "[ . 1 . 2]" 2
718 1 82 VAL HA 1 82 VAL MG1 . . 3.440 2.390 2.311 2.487 . 0 0 "[ . 1 . 2]" 2
719 1 64 THR HA 1 71 GLN HG3 . . 4.280 4.046 3.809 4.242 . 0 0 "[ . 1 . 2]" 2
720 1 28 GLU QB 1 35 VAL HB . . 3.860 2.906 2.388 3.103 . 0 0 "[ . 1 . 2]" 2
721 1 29 ILE HG13 1 35 VAL HB . . 3.910 2.341 2.033 2.730 . 0 0 "[ . 1 . 2]" 2
722 1 71 GLN HA 1 71 GLN HG3 . . 4.010 3.154 3.084 3.203 . 0 0 "[ . 1 . 2]" 2
723 1 71 GLN HA 1 71 GLN HG2 . . 3.870 2.239 2.172 2.366 . 0 0 "[ . 1 . 2]" 2
724 1 64 THR HA 1 71 GLN HG2 . . 4.080 2.845 2.597 3.029 . 0 0 "[ . 1 . 2]" 2
725 1 38 PRO HA 1 41 GLN HG2 . . 4.220 2.835 2.641 3.012 . 0 0 "[ . 1 . 2]" 2
726 1 41 GLN HA 1 41 GLN HG3 . . 3.740 3.219 2.992 3.333 . 0 0 "[ . 1 . 2]" 2
727 1 61 GLU HA 1 62 MET QB . . 4.790 4.285 3.970 4.693 . 0 0 "[ . 1 . 2]" 2
728 1 24 GLN H 1 24 GLN HG3 . . 3.640 2.250 1.974 3.148 . 0 0 "[ . 1 . 2]" 2
729 1 24 GLN H 1 24 GLN HG2 . . 3.870 3.201 1.897 3.649 . 0 0 "[ . 1 . 2]" 2
730 1 24 GLN HA 1 24 GLN HG2 . . 3.910 2.556 2.394 2.862 . 0 0 "[ . 1 . 2]" 2
731 1 20 SER HB3 1 21 LEU H . . 4.010 2.748 2.069 3.922 . 0 0 "[ . 1 . 2]" 2
732 1 17 ALA MB 1 20 SER HB3 . . 4.280 3.048 2.114 3.753 . 0 0 "[ . 1 . 2]" 2
733 1 29 ILE HA 1 29 ILE HG13 . . 4.240 2.830 2.650 2.996 . 0 0 "[ . 1 . 2]" 2
734 1 29 ILE HA 1 29 ILE HG12 . . 4.180 2.807 2.707 2.995 . 0 0 "[ . 1 . 2]" 2
735 1 70 LYS HB2 1 71 GLN H . . 4.130 4.097 4.004 4.152 0.022 13 0 "[ . 1 . 2]" 2
736 1 70 LYS HB3 1 72 LEU MD2 . . 5.250 5.124 4.687 5.264 0.014 16 0 "[ . 1 . 2]" 2
737 1 39 THR HA 1 41 GLN HG3 . . 5.210 4.606 4.273 5.158 . 0 0 "[ . 1 . 2]" 2
738 1 39 THR HA 1 55 MET ME . . 5.500 5.237 4.775 5.499 . 0 0 "[ . 1 . 2]" 2
739 1 34 SER HB3 1 35 VAL H . . 4.070 3.743 2.878 4.107 0.037 12 0 "[ . 1 . 2]" 2
740 1 34 SER HB3 1 46 LYS HA . . 4.230 2.871 1.998 3.429 . 0 0 "[ . 1 . 2]" 2
741 1 62 MET HG2 1 63 PHE H . . 4.830 4.024 3.463 4.504 . 0 0 "[ . 1 . 2]" 2
742 1 62 MET H 1 62 MET HG2 . . 4.130 3.557 2.254 4.131 0.001 13 0 "[ . 1 . 2]" 2
743 1 62 MET HA 1 62 MET HG2 . . 4.000 2.625 2.236 3.882 . 0 0 "[ . 1 . 2]" 2
744 1 83 MET QB 1 84 ALA H . . 3.710 3.254 2.861 3.726 0.016 19 0 "[ . 1 . 2]" 2
745 1 83 MET QB 1 84 ALA MB . . 4.260 3.975 3.745 4.410 0.150 20 0 "[ . 1 . 2]" 2
746 1 34 SER HB2 1 46 LYS HA . . 4.230 3.130 2.474 4.083 . 0 0 "[ . 1 . 2]" 2
747 1 34 SER HB3 1 46 LYS QG . . 4.670 3.961 2.308 4.466 . 0 0 "[ . 1 . 2]" 2
748 1 62 MET HA 1 62 MET HG3 . . 4.000 3.344 2.879 3.743 . 0 0 "[ . 1 . 2]" 2
749 1 76 ALA HA 1 79 LYS QB . . 3.470 2.794 2.600 2.936 . 0 0 "[ . 1 . 2]" 2
750 1 79 LYS QB 1 79 LYS QD . . 3.490 2.134 2.015 2.259 . 0 0 "[ . 1 . 2]" 2
751 1 35 VAL MG1 1 48 ILE HA . . 4.350 2.797 2.347 3.313 . 0 0 "[ . 1 . 2]" 2
752 1 48 ILE HA 1 48 ILE HG13 . . 4.180 3.278 3.035 3.809 . 0 0 "[ . 1 . 2]" 2
753 1 48 ILE HA 1 48 ILE HG12 . . 4.180 2.662 2.504 2.986 . 0 0 "[ . 1 . 2]" 2
754 1 36 SER H 1 36 SER HB2 . . 3.340 2.867 2.641 3.091 . 0 0 "[ . 1 . 2]" 2
755 1 35 VAL HA 1 36 SER HB2 . . 4.900 4.516 4.299 4.659 . 0 0 "[ . 1 . 2]" 2
756 1 36 SER HB2 1 41 GLN HA . . 4.860 4.696 4.350 4.846 . 0 0 "[ . 1 . 2]" 2
757 1 35 VAL HA 1 36 SER HB3 . . 4.900 4.592 4.423 4.830 . 0 0 "[ . 1 . 2]" 2
758 1 36 SER HB3 1 41 GLN HA . . 4.860 4.132 3.397 4.475 . 0 0 "[ . 1 . 2]" 2
759 1 79 LYS HA 1 82 VAL HB . . 4.030 3.727 3.465 3.975 . 0 0 "[ . 1 . 2]" 2
760 1 48 ILE HA 1 51 LEU HB3 . . 3.950 2.468 2.108 2.862 . 0 0 "[ . 1 . 2]" 2
761 1 78 MET HG3 1 82 VAL MG2 . . 4.080 3.719 3.356 3.975 . 0 0 "[ . 1 . 2]" 2
762 1 83 MET HA 1 83 MET HG2 . . 3.950 2.759 2.364 3.753 . 0 0 "[ . 1 . 2]" 2
763 1 72 LEU MD1 1 78 MET HG2 . . 4.540 4.265 3.877 4.553 0.013 13 0 "[ . 1 . 2]" 2
764 1 83 MET HA 1 83 MET HG3 . . 3.950 2.819 2.247 3.738 . 0 0 "[ . 1 . 2]" 2
765 1 30 VAL H 1 30 VAL HB . . 3.720 3.581 3.561 3.648 . 0 0 "[ . 1 . 2]" 2
766 1 72 LEU MD1 1 78 MET HB2 . . 4.440 2.185 1.957 2.600 . 0 0 "[ . 1 . 2]" 2
767 1 13 PRO HB3 1 14 PRO HD3 . . 4.830 4.193 3.774 4.631 . 0 0 "[ . 1 . 2]" 2
768 1 61 GLU HB2 1 62 MET H . . 4.240 3.694 2.122 4.243 0.003 14 0 "[ . 1 . 2]" 2
769 1 61 GLU HB3 1 62 MET H . . 4.240 3.703 2.147 4.269 0.029 10 0 "[ . 1 . 2]" 2
770 1 13 PRO HB2 1 14 PRO HD3 . . 4.830 4.091 3.517 4.652 . 0 0 "[ . 1 . 2]" 2
771 1 29 ILE HG12 1 35 VAL HB . . 4.300 2.952 2.492 3.386 . 0 0 "[ . 1 . 2]" 2
772 1 64 THR HA 1 71 GLN HB2 . . 5.450 5.247 5.063 5.408 . 0 0 "[ . 1 . 2]" 2
773 1 72 LEU MD1 1 78 MET HB3 . . 4.440 3.354 3.043 3.696 . 0 0 "[ . 1 . 2]" 2
774 1 71 GLN HB2 1 72 LEU H . . 5.150 4.513 4.358 4.570 . 0 0 "[ . 1 . 2]" 2
775 1 72 LEU H 1 78 MET HB3 . . 5.330 5.132 4.782 5.332 0.002 15 0 "[ . 1 . 2]" 2
776 1 71 GLN HB3 1 72 LEU H . . 4.410 3.760 3.406 3.947 . 0 0 "[ . 1 . 2]" 2
777 1 56 GLU H 1 56 GLU HB3 . . 3.730 3.397 2.318 3.582 . 0 0 "[ . 1 . 2]" 2
778 1 53 LYS HA 1 56 GLU HB3 . . 4.110 3.744 2.844 4.093 . 0 0 "[ . 1 . 2]" 2
779 1 49 GLU HA 1 52 LYS QD . . 4.470 3.215 1.961 4.471 0.001 7 0 "[ . 1 . 2]" 2
780 1 52 LYS H 1 52 LYS QD . . 4.460 3.640 2.133 4.415 . 0 0 "[ . 1 . 2]" 2
781 1 26 TYR HA 1 26 TYR QE . . 4.730 4.602 4.528 4.687 . 0 0 "[ . 1 . 2]" 2
782 1 26 TYR HA 1 29 ILE HB . . 3.810 3.278 3.185 3.442 . 0 0 "[ . 1 . 2]" 2
783 1 26 TYR HA 1 29 ILE HG13 . . 5.010 3.596 3.050 3.891 . 0 0 "[ . 1 . 2]" 2
784 1 26 TYR HA 1 29 ILE MD . . 3.480 2.040 1.937 2.317 . 0 0 "[ . 1 . 2]" 2
785 1 65 CYS HB3 1 81 HIS HD2 . . 5.500 5.480 5.376 5.554 0.054 5 0 "[ . 1 . 2]" 2
786 1 64 THR HA 1 65 CYS HB3 . . 4.510 4.409 4.315 4.519 0.009 5 0 "[ . 1 . 2]" 2
787 1 65 CYS HB3 1 70 LYS HB2 . . 4.570 3.366 3.140 3.673 . 0 0 "[ . 1 . 2]" 2
788 1 65 CYS HB3 1 70 LYS HB3 . . 4.250 3.270 2.959 3.452 . 0 0 "[ . 1 . 2]" 2
789 1 65 CYS HB2 1 70 LYS H . . 3.670 3.556 3.293 3.704 0.034 12 0 "[ . 1 . 2]" 2
790 1 65 CYS HB2 1 78 MET ME . . 4.540 3.421 3.106 3.636 . 0 0 "[ . 1 . 2]" 2
791 1 65 CYS HB2 1 70 LYS HB3 . . 4.320 3.761 3.397 4.214 . 0 0 "[ . 1 . 2]" 2
792 1 28 GLU QB 1 36 SER H . . 4.360 3.954 3.477 4.310 . 0 0 "[ . 1 . 2]" 2
793 1 25 TRP HA 1 28 GLU QB . . 4.380 2.954 2.571 3.169 . 0 0 "[ . 1 . 2]" 2
794 1 28 GLU QB 1 35 VAL HA . . 4.650 2.692 2.176 3.177 . 0 0 "[ . 1 . 2]" 2
795 1 39 THR MG 1 60 GLN HB3 . . 4.910 4.206 2.604 4.887 . 0 0 "[ . 1 . 2]" 2
796 1 39 THR MG 1 60 GLN HB2 . . 4.910 4.040 3.066 4.867 . 0 0 "[ . 1 . 2]" 2
797 1 25 TRP HB3 1 26 TYR H . . 4.520 3.586 3.286 3.859 . 0 0 "[ . 1 . 2]" 2
798 1 28 GLU QB 1 35 VAL MG1 . . 4.470 4.258 3.935 4.405 . 0 0 "[ . 1 . 2]" 2
799 1 79 LYS H 1 79 LYS QD . . 4.360 4.171 3.888 4.333 . 0 0 "[ . 1 . 2]" 2
800 1 76 ALA HA 1 79 LYS QD . . 4.270 3.942 3.278 4.323 0.053 13 0 "[ . 1 . 2]" 2
801 1 79 LYS HA 1 79 LYS QD . . 4.570 3.810 2.615 4.138 . 0 0 "[ . 1 . 2]" 2
802 1 75 LEU MD1 1 79 LYS QD . . 4.760 3.655 2.524 4.537 . 0 0 "[ . 1 . 2]" 2
803 1 75 LEU MD2 1 79 LYS QD . . 4.910 2.784 2.145 3.960 . 0 0 "[ . 1 . 2]" 2
804 1 79 LYS QD 1 83 MET ME . . 4.860 4.322 3.471 4.873 0.013 4 0 "[ . 1 . 2]" 2
805 1 80 TYR HA 1 80 TYR QE . . 4.690 4.520 4.279 4.666 . 0 0 "[ . 1 . 2]" 2
806 1 80 TYR HA 1 83 MET QB . . 3.480 2.987 2.645 3.546 0.066 20 0 "[ . 1 . 2]" 2
807 1 46 LYS HA 1 46 LYS QD . . 4.210 3.733 2.519 4.123 . 0 0 "[ . 1 . 2]" 2
808 1 29 ILE MD 1 48 ILE HG13 . . 4.040 2.740 1.888 4.046 0.006 18 0 "[ . 1 . 2]" 2
809 1 70 LYS HD2 1 81 HIS HE1 . . 4.770 4.396 3.032 4.747 . 0 0 "[ . 1 . 2]" 2
810 1 70 LYS HA 1 70 LYS HD2 . . 4.630 4.418 4.231 4.527 . 0 0 "[ . 1 . 2]" 2
811 1 70 LYS HB3 1 70 LYS HD2 . . 3.680 2.681 2.074 2.889 . 0 0 "[ . 1 . 2]" 2
812 1 70 LYS HA 1 70 LYS HD3 . . 4.630 4.360 3.254 4.680 0.050 15 0 "[ . 1 . 2]" 2
813 1 70 LYS HB3 1 70 LYS HD3 . . 3.680 2.622 2.323 3.397 . 0 0 "[ . 1 . 2]" 2
814 1 22 GLU HA 1 22 GLU HG3 . . 4.100 2.595 2.210 3.082 . 0 0 "[ . 1 . 2]" 2
815 1 22 GLU HA 1 22 GLU HG2 . . 4.100 3.007 2.497 3.603 . 0 0 "[ . 1 . 2]" 2
816 1 22 GLU HA 1 48 ILE MD . . 4.110 2.700 2.143 3.310 . 0 0 "[ . 1 . 2]" 2
817 1 49 GLU H 1 49 GLU HB2 . . 3.710 2.614 2.187 3.618 . 0 0 "[ . 1 . 2]" 2
818 1 32 LYS HA 1 32 LYS QD . . 3.820 2.342 1.991 3.026 . 0 0 "[ . 1 . 2]" 2
819 1 59 LYS HA 1 59 LYS QD . . 4.220 3.552 1.993 4.271 0.051 6 0 "[ . 1 . 2]" 2
820 1 9 ILE HA 1 9 ILE HG12 . . 4.220 3.384 2.663 4.209 . 0 0 "[ . 1 . 2]" 2
821 1 9 ILE HA 1 9 ILE HG13 . . 4.220 3.233 2.309 4.239 0.019 2 0 "[ . 1 . 2]" 2
822 1 9 ILE HA 1 9 ILE MG . . 3.400 2.429 2.171 3.188 . 0 0 "[ . 1 . 2]" 2
823 1 52 LYS HA 1 52 LYS HG3 . . 3.790 2.920 2.139 3.825 0.035 19 0 "[ . 1 . 2]" 2
824 1 52 LYS HA 1 52 LYS QD . . 4.220 3.641 2.491 4.152 . 0 0 "[ . 1 . 2]" 2
825 1 52 LYS HA 1 52 LYS HG2 . . 3.790 2.667 2.251 3.569 . 0 0 "[ . 1 . 2]" 2
826 1 52 LYS HA 1 55 MET ME . . 4.520 3.956 3.414 4.488 . 0 0 "[ . 1 . 2]" 2
827 1 53 LYS QB 1 53 LYS QD . . 3.290 2.251 2.016 2.460 . 0 0 "[ . 1 . 2]" 2
828 1 53 LYS QD 1 53 LYS QG . . 2.450 2.062 2.017 2.092 . 0 0 "[ . 1 . 2]" 2
829 1 53 LYS H 1 53 LYS QD . . 4.440 3.955 2.004 4.473 0.033 7 0 "[ . 1 . 2]" 2
830 1 58 CYS HA 1 59 LYS HA . . 5.100 4.828 4.621 5.009 . 0 0 "[ . 1 . 2]" 2
831 1 81 HIS HB2 1 82 VAL H . . 4.290 4.162 4.033 4.260 . 0 0 "[ . 1 . 2]" 2
832 1 78 MET HA 1 81 HIS HB2 . . 4.130 4.191 4.136 4.228 0.098 11 0 "[ . 1 . 2]" 2
833 1 72 LEU MD1 1 81 HIS HB2 . . 3.830 3.796 3.706 3.872 0.042 12 0 "[ . 1 . 2]" 2
834 1 55 MET HA 1 58 CYS HB3 . . 3.740 2.018 1.963 2.192 . 0 0 "[ . 1 . 2]" 2
835 1 55 MET HA 1 58 CYS HB2 . . 3.860 3.484 2.354 3.816 . 0 0 "[ . 1 . 2]" 2
836 1 58 CYS HB2 1 59 LYS H . . 4.620 4.151 3.463 4.558 . 0 0 "[ . 1 . 2]" 2
837 1 53 LYS HA 1 53 LYS QD . . 3.650 2.626 2.094 3.688 0.038 18 0 "[ . 1 . 2]" 2
838 1 28 GLU HA 1 31 ASP H . . 4.110 3.886 3.631 4.011 . 0 0 "[ . 1 . 2]" 2
839 1 27 LEU HB3 1 28 GLU HA . . 4.610 4.344 4.145 4.437 . 0 0 "[ . 1 . 2]" 2
840 1 28 GLU HA 1 32 LYS H . . 4.520 3.689 2.974 3.959 . 0 0 "[ . 1 . 2]" 2
841 1 72 LEU MD1 1 81 HIS HA . . 5.160 4.988 4.811 5.117 . 0 0 "[ . 1 . 2]" 2
842 1 48 ILE MG 1 49 GLU HA . . 4.020 3.658 3.257 4.029 0.009 20 0 "[ . 1 . 2]" 2
843 1 79 LYS HA 1 79 LYS HG3 . . 3.810 3.163 2.857 3.827 0.017 12 0 "[ . 1 . 2]" 2
844 1 21 LEU MD1 1 24 GLN QB . . 5.330 5.211 4.964 5.320 . 0 0 "[ . 1 . 2]" 2
845 1 24 GLN QB 1 25 TRP HD1 . . 4.590 3.529 3.139 4.089 . 0 0 "[ . 1 . 2]" 2
846 1 24 GLN QB 1 27 LEU MD1 . . 4.430 3.755 3.418 4.299 . 0 0 "[ . 1 . 2]" 2
847 1 73 ARG HA 1 73 ARG HG3 . . 3.990 3.140 2.239 3.882 . 0 0 "[ . 1 . 2]" 2
848 1 28 GLU HA 1 31 ASP HB3 . . 3.970 3.252 3.068 3.545 . 0 0 "[ . 1 . 2]" 2
849 1 27 LEU HB2 1 28 GLU HA . . 4.320 4.126 4.044 4.281 . 0 0 "[ . 1 . 2]" 2
850 1 28 GLU HA 1 29 ILE HG13 . . 5.500 4.937 4.682 5.089 . 0 0 "[ . 1 . 2]" 2
851 1 28 GLU HA 1 32 LYS QD . . 5.500 4.988 4.118 5.312 . 0 0 "[ . 1 . 2]" 2
852 1 54 HIS HD2 1 55 MET HA . . 4.460 3.674 2.454 4.394 . 0 0 "[ . 1 . 2]" 2
853 1 55 MET HA 1 55 MET HG2 . . 4.150 3.799 3.629 4.180 0.030 20 0 "[ . 1 . 2]" 2
854 1 55 MET HA 1 55 MET HG3 . . 4.150 3.710 3.589 3.878 . 0 0 "[ . 1 . 2]" 2
855 1 23 GLU HA 1 26 TYR QB . . 4.160 2.734 2.516 2.926 . 0 0 "[ . 1 . 2]" 2
856 1 37 CYS HA 1 38 PRO HG3 . . 4.640 4.325 4.315 4.336 . 0 0 "[ . 1 . 2]" 2
857 1 25 TRP HZ2 1 38 PRO HG3 . . 4.460 2.683 2.006 3.304 . 0 0 "[ . 1 . 2]" 2
858 1 38 PRO HG2 1 39 THR H . . 4.670 3.201 2.950 3.377 . 0 0 "[ . 1 . 2]" 2
859 1 25 TRP HZ2 1 38 PRO HG2 . . 4.460 3.612 2.726 4.131 . 0 0 "[ . 1 . 2]" 2
860 1 37 CYS HA 1 38 PRO HG2 . . 4.640 4.155 4.135 4.211 . 0 0 "[ . 1 . 2]" 2
861 1 89 LEU HA 1 90 PRO QG . . 4.540 3.888 3.779 4.001 . 0 0 "[ . 1 . 2]" 2
862 1 13 PRO HA 1 14 PRO HG2 . . 4.700 4.381 4.162 4.626 . 0 0 "[ . 1 . 2]" 2
863 1 8 ARG HA 1 8 ARG HG3 . . 4.210 3.007 2.245 4.171 . 0 0 "[ . 1 . 2]" 2
864 1 8 ARG HA 1 8 ARG HG2 . . 4.210 3.096 2.351 4.166 . 0 0 "[ . 1 . 2]" 2
865 1 56 GLU HA 1 56 GLU HG3 . . 3.760 3.463 2.910 3.707 . 0 0 "[ . 1 . 2]" 2
866 1 89 LEU H 1 89 LEU HG . . 4.350 2.897 1.911 4.407 0.057 9 0 "[ . 1 . 2]" 2
867 1 75 LEU H 1 75 LEU HG . . 4.600 4.504 4.401 4.565 . 0 0 "[ . 1 . 2]" 2
868 1 56 GLU HA 1 56 GLU HG2 . . 3.760 2.489 2.138 3.821 0.061 18 0 "[ . 1 . 2]" 2
869 1 24 GLN HA 1 24 GLN HG3 . . 3.900 3.147 2.678 3.856 . 0 0 "[ . 1 . 2]" 2
870 1 24 GLN HA 1 27 LEU HB3 . . 5.000 4.874 4.504 4.991 . 0 0 "[ . 1 . 2]" 2
871 1 24 GLN HA 1 27 LEU MD1 . . 3.600 2.249 2.093 2.792 . 0 0 "[ . 1 . 2]" 2
872 1 48 ILE MG 1 52 LYS HG2 . . 4.430 3.292 2.028 4.281 . 0 0 "[ . 1 . 2]" 2
873 1 75 LEU HG 1 79 LYS QE . . 4.500 3.315 2.045 4.514 0.014 14 0 "[ . 1 . 2]" 2
874 1 53 LYS HA 1 56 GLU HG2 . . 4.180 3.787 2.370 4.210 0.030 2 0 "[ . 1 . 2]" 2
875 1 53 LYS HA 1 53 LYS QG . . 3.570 2.553 2.146 2.910 . 0 0 "[ . 1 . 2]" 2
876 1 53 LYS HA 1 56 GLU HG3 . . 4.180 2.810 2.288 4.196 0.016 16 0 "[ . 1 . 2]" 2
877 1 51 LEU HA 1 54 HIS H . . 4.800 3.240 3.118 3.351 . 0 0 "[ . 1 . 2]" 2
878 1 51 LEU HA 1 54 HIS HB2 . . 4.730 3.329 3.081 3.894 . 0 0 "[ . 1 . 2]" 2
879 1 72 LEU HG 1 78 MET HA . . 4.380 4.225 3.717 4.375 . 0 0 "[ . 1 . 2]" 2
880 1 78 MET HA 1 81 HIS HB3 . . 3.480 2.569 2.507 2.620 . 0 0 "[ . 1 . 2]" 2
881 1 64 THR MG 1 66 HIS HA . . 4.710 4.417 4.205 4.680 . 0 0 "[ . 1 . 2]" 2
882 1 17 ALA MB 1 20 SER HA . . 4.490 4.157 3.923 4.426 . 0 0 "[ . 1 . 2]" 2
883 1 20 SER HA 1 21 LEU HB2 . . 4.770 4.655 4.465 4.772 0.002 3 0 "[ . 1 . 2]" 2
884 1 38 PRO HA 1 41 GLN HA . . 4.940 4.530 4.424 4.675 . 0 0 "[ . 1 . 2]" 2
885 1 41 GLN HA 1 42 ALA HA . . 5.280 4.473 4.423 4.517 . 0 0 "[ . 1 . 2]" 2
886 1 70 LYS HA 1 71 GLN HG3 . . 4.440 4.194 3.933 4.402 . 0 0 "[ . 1 . 2]" 2
887 1 70 LYS HA 1 71 GLN HG2 . . 5.160 5.107 5.004 5.148 . 0 0 "[ . 1 . 2]" 2
888 1 70 LYS HA 1 71 GLN HB2 . . 4.560 4.246 4.204 4.350 . 0 0 "[ . 1 . 2]" 2
889 1 70 LYS HA 1 70 LYS HG2 . . 3.930 2.565 2.151 2.926 . 0 0 "[ . 1 . 2]" 2
890 1 70 LYS HA 1 70 LYS HG3 . . 3.930 2.713 2.296 3.469 . 0 0 "[ . 1 . 2]" 2
891 1 27 LEU HA 1 29 ILE H . . 4.850 3.739 3.568 3.857 . 0 0 "[ . 1 . 2]" 2
892 1 27 LEU HA 1 27 LEU HG . . 4.020 3.004 2.931 3.075 . 0 0 "[ . 1 . 2]" 2
893 1 63 PHE QE 1 75 LEU HA . . 4.530 3.721 3.199 4.530 0.000 14 0 "[ . 1 . 2]" 2
894 1 75 LEU HA 1 75 LEU HG . . 4.000 2.958 2.629 3.206 . 0 0 "[ . 1 . 2]" 2
895 1 79 LYS HA 1 79 LYS HG2 . . 3.810 2.359 2.182 2.775 . 0 0 "[ . 1 . 2]" 2
896 1 70 LYS H 1 70 LYS HG3 . . 4.660 4.259 4.127 4.489 . 0 0 "[ . 1 . 2]" 2
897 1 27 LEU HA 1 27 LEU MD1 . . 4.020 3.927 3.872 3.955 . 0 0 "[ . 1 . 2]" 2
898 1 23 GLU HG3 1 27 LEU MD1 . . 4.300 3.222 2.554 4.221 . 0 0 "[ . 1 . 2]" 2
899 1 27 LEU HB2 1 27 LEU MD1 . . 3.330 2.110 2.058 2.278 . 0 0 "[ . 1 . 2]" 2
900 1 27 LEU HB3 1 27 LEU MD1 . . 3.310 2.550 2.427 2.619 . 0 0 "[ . 1 . 2]" 2
901 1 41 GLN HA 1 41 GLN HG2 . . 3.480 2.460 2.335 2.520 . 0 0 "[ . 1 . 2]" 2
902 1 21 LEU HA 1 24 GLN H . . 4.490 3.370 3.069 3.635 . 0 0 "[ . 1 . 2]" 2
903 1 21 LEU HA 1 24 GLN QB . . 3.740 2.884 2.508 3.190 . 0 0 "[ . 1 . 2]" 2
904 1 32 LYS HA 1 32 LYS HG2 . . 3.910 3.213 3.101 3.276 . 0 0 "[ . 1 . 2]" 2
905 1 32 LYS HA 1 32 LYS HG3 . . 4.100 3.877 3.841 3.952 . 0 0 "[ . 1 . 2]" 2
906 1 29 ILE HG12 1 34 SER HA . . 4.720 2.259 2.015 2.740 . 0 0 "[ . 1 . 2]" 2
907 1 37 CYS HA 1 55 MET ME . . 4.550 4.227 3.676 4.561 0.011 20 0 "[ . 1 . 2]" 2
908 1 46 LYS HA 1 46 LYS QG . . 3.840 2.313 2.139 3.342 . 0 0 "[ . 1 . 2]" 2
909 1 34 SER HA 1 46 LYS HA . . 3.720 2.991 2.111 3.556 . 0 0 "[ . 1 . 2]" 2
910 1 29 ILE MG 1 34 SER HA . . 4.060 2.447 1.976 3.015 . 0 0 "[ . 1 . 2]" 2
911 1 75 LEU MD2 1 76 ALA H . . 4.550 4.049 3.703 4.236 . 0 0 "[ . 1 . 2]" 2
912 1 75 LEU HA 1 75 LEU MD2 . . 4.150 3.893 3.840 3.947 . 0 0 "[ . 1 . 2]" 2
913 1 75 LEU MD2 1 79 LYS QE . . 3.920 2.987 1.962 3.814 . 0 0 "[ . 1 . 2]" 2
914 1 21 LEU MD1 1 25 TRP HZ2 . . 3.630 2.209 1.982 2.702 . 0 0 "[ . 1 . 2]" 2
915 1 21 LEU MD1 1 25 TRP HH2 . . 3.860 2.941 2.558 3.614 . 0 0 "[ . 1 . 2]" 2
916 1 21 LEU HA 1 21 LEU MD1 . . 3.860 3.823 3.799 3.877 0.017 3 0 "[ . 1 . 2]" 2
917 1 21 LEU MD1 1 55 MET ME . . 4.360 3.895 3.075 4.329 . 0 0 "[ . 1 . 2]" 2
918 1 51 LEU HA 1 51 LEU MD2 . . 4.530 4.008 3.968 4.022 . 0 0 "[ . 1 . 2]" 2
919 1 35 VAL MG2 1 51 LEU MD2 . . 3.250 2.460 1.981 2.975 . 0 0 "[ . 1 . 2]" 2
920 1 35 VAL MG1 1 51 LEU MD2 . . 3.440 2.091 1.756 2.393 . 0 0 "[ . 1 . 2]" 2
921 1 61 GLU HA 1 61 GLU HG2 . . 3.940 3.358 2.526 3.889 . 0 0 "[ . 1 . 2]" 2
922 1 72 LEU MD1 1 82 VAL MG2 . . 5.500 5.327 5.097 5.533 0.033 13 0 "[ . 1 . 2]" 2
923 1 78 MET HA 1 82 VAL MG2 . . 4.880 4.697 4.569 4.848 . 0 0 "[ . 1 . 2]" 2
924 1 79 LYS HA 1 82 VAL MG2 . . 3.990 3.088 2.642 3.350 . 0 0 "[ . 1 . 2]" 2
925 1 65 CYS HB2 1 82 VAL MG2 . . 4.260 3.444 2.870 3.993 . 0 0 "[ . 1 . 2]" 2
926 1 78 MET HG2 1 82 VAL MG2 . . 4.080 3.485 3.276 3.754 . 0 0 "[ . 1 . 2]" 2
927 1 78 MET ME 1 82 VAL MG2 . . 4.850 4.848 4.724 4.901 0.051 17 0 "[ . 1 . 2]" 2
928 1 37 CYS HA 1 51 LEU MD2 . . 4.380 3.640 3.071 4.058 . 0 0 "[ . 1 . 2]" 2
929 1 81 HIS HD2 1 82 VAL MG2 . . 3.490 2.889 2.592 3.150 . 0 0 "[ . 1 . 2]" 2
930 1 82 VAL MG2 1 86 HIS HD2 . . 3.540 2.246 1.961 2.774 . 0 0 "[ . 1 . 2]" 2
931 1 81 HIS HB3 1 82 VAL MG2 . . 4.550 4.468 4.255 4.618 0.068 10 0 "[ . 1 . 2]" 2
932 1 82 VAL HA 1 82 VAL MG2 . . 3.300 2.353 2.208 2.474 . 0 0 "[ . 1 . 2]" 2
933 1 81 HIS HB2 1 82 VAL MG2 . . 5.010 4.729 4.526 4.901 . 0 0 "[ . 1 . 2]" 2
934 1 60 GLN HA 1 60 GLN QG . . 3.790 2.733 2.239 3.458 . 0 0 "[ . 1 . 2]" 2
935 1 39 THR MG 1 60 GLN HA . . 4.530 3.771 2.015 4.538 0.008 14 0 "[ . 1 . 2]" 2
936 1 75 LEU H 1 75 LEU MD1 . . 4.710 3.971 3.730 4.254 . 0 0 "[ . 1 . 2]" 2
937 1 75 LEU MD1 1 79 LYS H . . 4.950 3.943 3.185 4.775 . 0 0 "[ . 1 . 2]" 2
938 1 75 LEU HA 1 75 LEU MD1 . . 3.330 2.186 1.971 2.501 . 0 0 "[ . 1 . 2]" 2
939 1 63 PHE QE 1 75 LEU MD1 . . 3.720 2.827 2.425 3.245 . 0 0 "[ . 1 . 2]" 2
940 1 75 LEU MD1 1 78 MET ME . . 4.090 3.964 3.736 4.088 . 0 0 "[ . 1 . 2]" 2
941 1 21 LEU H 1 21 LEU MD2 . . 3.990 3.848 3.624 4.000 0.010 2 0 "[ . 1 . 2]" 2
942 1 21 LEU MD2 1 24 GLN H . . 5.480 4.542 4.281 4.779 . 0 0 "[ . 1 . 2]" 2
943 1 21 LEU MD2 1 25 TRP HZ2 . . 3.850 2.897 2.359 3.533 . 0 0 "[ . 1 . 2]" 2
944 1 21 LEU MD2 1 25 TRP HD1 . . 5.210 4.159 3.795 4.666 . 0 0 "[ . 1 . 2]" 2
945 1 21 LEU MD2 1 25 TRP HH2 . . 5.500 4.470 4.143 4.949 . 0 0 "[ . 1 . 2]" 2
946 1 21 LEU HA 1 21 LEU MD2 . . 3.130 2.042 1.961 2.256 . 0 0 "[ . 1 . 2]" 2
947 1 21 LEU MD2 1 24 GLN QB . . 3.870 2.984 2.746 3.202 . 0 0 "[ . 1 . 2]" 2
948 1 59 LYS HA 1 59 LYS QG . . 3.880 2.726 2.120 3.387 . 0 0 "[ . 1 . 2]" 2
949 1 39 THR MG 1 59 LYS HA . . 3.950 2.504 1.786 3.961 0.011 4 0 "[ . 1 . 2]" 2
950 1 39 THR HA 1 39 THR MG . . 3.130 2.261 2.134 2.419 . 0 0 "[ . 1 . 2]" 2
951 1 39 THR MG 1 60 GLN QG . . 4.560 3.689 1.984 4.565 0.005 17 0 "[ . 1 . 2]" 2
952 1 39 THR MG 1 55 MET ME . . 4.950 4.760 3.845 4.973 0.023 20 0 "[ . 1 . 2]" 2
953 1 39 THR MG 1 59 LYS HB3 . . 4.800 4.000 1.856 4.800 . 0 0 "[ . 1 . 2]" 2
954 1 39 THR MG 1 59 LYS HB2 . . 4.800 4.142 3.212 4.783 . 0 0 "[ . 1 . 2]" 2
955 1 75 LEU MD1 1 79 LYS QE . . 4.090 3.544 2.395 4.089 . 0 0 "[ . 1 . 2]" 2
956 1 27 LEU HA 1 27 LEU MD2 . . 3.100 2.215 2.045 2.453 . 0 0 "[ . 1 . 2]" 2
957 1 27 LEU HB2 1 27 LEU MD2 . . 3.470 3.173 3.157 3.189 . 0 0 "[ . 1 . 2]" 2
958 1 27 LEU HB3 1 27 LEU MD2 . . 3.250 2.258 2.132 2.346 . 0 0 "[ . 1 . 2]" 2
959 1 27 LEU MD2 1 30 VAL MG2 . . 2.730 2.482 2.208 2.661 . 0 0 "[ . 1 . 2]" 2
960 1 27 LEU MD2 1 30 VAL MG1 . . 3.760 3.461 3.260 3.639 . 0 0 "[ . 1 . 2]" 2
961 1 27 LEU H 1 27 LEU MD2 . . 3.770 3.373 3.259 3.497 . 0 0 "[ . 1 . 2]" 2
962 1 30 VAL H 1 30 VAL MG1 . . 3.020 1.977 1.896 2.141 . 0 0 "[ . 1 . 2]" 2
963 1 29 ILE H 1 30 VAL MG1 . . 4.150 3.706 3.444 3.838 . 0 0 "[ . 1 . 2]" 2
964 1 26 TYR QD 1 30 VAL MG1 . . 4.060 2.847 2.721 2.964 . 0 0 "[ . 1 . 2]" 2
965 1 27 LEU HA 1 30 VAL MG1 . . 3.520 2.510 2.261 2.667 . 0 0 "[ . 1 . 2]" 2
966 1 30 VAL HA 1 30 VAL MG1 . . 3.120 2.505 2.474 2.536 . 0 0 "[ . 1 . 2]" 2
967 1 26 TYR QB 1 30 VAL MG1 . . 4.420 3.806 3.525 3.952 . 0 0 "[ . 1 . 2]" 2
968 1 27 LEU HB3 1 30 VAL MG1 . . 4.790 4.697 4.499 4.804 0.014 14 0 "[ . 1 . 2]" 2
969 1 82 VAL H 1 82 VAL MG1 . . 3.910 3.757 3.726 3.777 . 0 0 "[ . 1 . 2]" 2
970 1 81 HIS HD2 1 82 VAL MG1 . . 4.350 4.306 4.174 4.378 0.028 9 0 "[ . 1 . 2]" 2
971 1 82 VAL MG1 1 86 HIS HD2 . . 3.730 2.041 1.924 2.315 . 0 0 "[ . 1 . 2]" 2
972 1 79 LYS HA 1 82 VAL MG1 . . 5.110 4.840 4.696 5.104 . 0 0 "[ . 1 . 2]" 2
973 1 82 VAL MG1 1 88 SER QB . . 5.500 5.229 4.105 5.515 0.015 20 0 "[ . 1 . 2]" 2
974 1 82 VAL MG1 1 86 HIS HB2 . . 3.910 2.080 1.787 2.538 . 0 0 "[ . 1 . 2]" 2
975 1 82 VAL MG1 1 86 HIS HB3 . . 3.910 3.272 2.735 3.738 . 0 0 "[ . 1 . 2]" 2
976 1 82 VAL MG1 1 83 MET QB . . 4.570 4.386 3.972 4.609 0.039 9 0 "[ . 1 . 2]" 2
977 1 46 LYS HB2 1 47 THR MG . . 4.480 4.070 3.125 4.498 0.018 9 0 "[ . 1 . 2]" 2
978 1 29 ILE MG 1 47 THR MG . . 4.560 2.987 2.443 4.557 . 0 0 "[ . 1 . 2]" 2
979 1 83 MET H 1 84 ALA HA . . 5.340 5.184 5.066 5.357 0.017 20 0 "[ . 1 . 2]" 2
980 1 47 THR MG 1 48 ILE H . . 3.900 3.130 2.977 3.350 . 0 0 "[ . 1 . 2]" 2
981 1 46 LYS HA 1 47 THR MG . . 4.760 4.439 4.239 4.682 . 0 0 "[ . 1 . 2]" 2
982 1 47 THR MG 1 48 ILE HG13 . . 5.500 4.416 4.061 5.378 . 0 0 "[ . 1 . 2]" 2
983 1 47 THR MG 1 48 ILE HG12 . . 5.500 5.201 4.025 5.513 0.013 9 0 "[ . 1 . 2]" 2
984 1 25 TRP HA 1 35 VAL MG2 . . 3.310 2.251 2.021 2.544 . 0 0 "[ . 1 . 2]" 2
985 1 35 VAL HA 1 35 VAL MG2 . . 3.670 2.281 2.164 2.442 . 0 0 "[ . 1 . 2]" 2
986 1 28 GLU HA 1 35 VAL MG2 . . 5.490 5.153 4.889 5.463 . 0 0 "[ . 1 . 2]" 2
987 1 25 TRP HB3 1 35 VAL MG2 . . 4.000 2.058 1.827 2.340 . 0 0 "[ . 1 . 2]" 2
988 1 28 GLU HG2 1 35 VAL MG2 . . 4.520 3.300 2.501 4.397 . 0 0 "[ . 1 . 2]" 2
989 1 28 GLU QB 1 35 VAL MG2 . . 3.600 2.555 2.225 2.851 . 0 0 "[ . 1 . 2]" 2
990 1 24 GLN QB 1 35 VAL MG2 . . 5.150 5.048 4.800 5.158 0.008 13 0 "[ . 1 . 2]" 2
991 1 29 ILE HG13 1 35 VAL MG2 . . 4.140 3.749 3.315 4.112 . 0 0 "[ . 1 . 2]" 2
992 1 38 PRO HG3 1 51 LEU MD1 . . 5.010 3.907 3.421 4.529 . 0 0 "[ . 1 . 2]" 2
993 1 38 PRO HG2 1 51 LEU MD1 . . 5.010 4.063 3.537 4.682 . 0 0 "[ . 1 . 2]" 2
994 1 37 CYS HA 1 51 LEU MD1 . . 3.450 2.020 1.843 2.196 . 0 0 "[ . 1 . 2]" 2
995 1 38 PRO HD3 1 51 LEU MD1 . . 4.190 2.483 2.010 3.041 . 0 0 "[ . 1 . 2]" 2
996 1 51 LEU HA 1 51 LEU MD1 . . 3.460 2.487 2.213 2.727 . 0 0 "[ . 1 . 2]" 2
997 1 37 CYS HB2 1 51 LEU MD1 . . 4.500 3.095 2.674 3.402 . 0 0 "[ . 1 . 2]" 2
998 1 51 LEU MD1 1 55 MET HB2 . . 4.600 4.273 3.850 4.558 . 0 0 "[ . 1 . 2]" 2
999 1 37 CYS HB3 1 51 LEU MD1 . . 4.500 4.167 3.876 4.431 . 0 0 "[ . 1 . 2]" 2
1000 1 83 MET QB 1 84 ALA HA . . 4.460 4.115 3.930 4.426 . 0 0 "[ . 1 . 2]" 2
1001 1 64 THR MG 1 65 CYS H . . 3.620 2.803 2.376 3.019 . 0 0 "[ . 1 . 2]" 2
1002 1 64 THR MG 1 70 LYS H . . 3.990 3.907 3.609 3.999 0.009 15 0 "[ . 1 . 2]" 2
1003 1 64 THR HA 1 64 THR MG . . 3.360 2.286 2.089 2.458 . 0 0 "[ . 1 . 2]" 2
1004 1 64 THR MG 1 65 CYS HA . . 5.000 4.371 4.060 4.634 . 0 0 "[ . 1 . 2]" 2
1005 1 64 THR MG 1 69 GLY HA2 . . 3.830 2.709 2.286 2.927 . 0 0 "[ . 1 . 2]" 2
1006 1 64 THR MG 1 69 GLY HA3 . . 3.830 3.662 3.206 3.850 0.020 14 0 "[ . 1 . 2]" 2
1007 1 64 THR MG 1 71 GLN HG2 . . 3.750 2.255 1.968 2.778 . 0 0 "[ . 1 . 2]" 2
1008 1 64 THR MG 1 71 GLN HA . . 4.360 3.458 3.181 3.795 . 0 0 "[ . 1 . 2]" 2
1009 1 64 THR MG 1 65 CYS HB3 . . 4.550 3.968 3.719 4.185 . 0 0 "[ . 1 . 2]" 2
1010 1 64 THR MG 1 71 GLN HG3 . . 3.990 2.389 2.048 2.846 . 0 0 "[ . 1 . 2]" 2
1011 1 30 VAL MG2 1 31 ASP H . . 3.670 2.417 2.189 2.540 . 0 0 "[ . 1 . 2]" 2
1012 1 30 VAL MG2 1 31 ASP HA . . 4.000 3.317 3.226 3.395 . 0 0 "[ . 1 . 2]" 2
1013 1 26 TYR QB 1 30 VAL MG2 . . 5.380 4.863 4.683 5.016 . 0 0 "[ . 1 . 2]" 2
1014 1 29 ILE HA 1 30 VAL MG2 . . 5.500 5.250 5.169 5.324 . 0 0 "[ . 1 . 2]" 2
1015 1 27 LEU HA 1 30 VAL MG2 . . 3.830 2.032 1.876 2.223 . 0 0 "[ . 1 . 2]" 2
1016 1 30 VAL HA 1 30 VAL MG2 . . 3.170 3.163 3.155 3.174 0.004 7 0 "[ . 1 . 2]" 2
1017 1 18 ALA HA 1 19 GLY HA3 . . 5.030 4.525 4.361 4.665 . 0 0 "[ . 1 . 2]" 2
1018 1 42 ALA MB 1 43 VAL HA . . 4.270 4.089 3.993 4.154 . 0 0 "[ . 1 . 2]" 2
1019 1 40 CYS HB2 1 42 ALA MB . . 4.240 2.865 2.597 3.074 . 0 0 "[ . 1 . 2]" 2
1020 1 40 CYS HB3 1 42 ALA MB . . 4.240 4.123 4.061 4.181 . 0 0 "[ . 1 . 2]" 2
1021 1 42 ALA MB 1 43 VAL MG1 . . 4.080 2.557 2.417 2.693 . 0 0 "[ . 1 . 2]" 2
1022 1 42 ALA MB 1 43 VAL MG2 . . 3.920 3.190 2.962 3.332 . 0 0 "[ . 1 . 2]" 2
1023 1 15 VAL MG2 1 16 TYR H . . 3.920 3.567 3.353 3.873 . 0 0 "[ . 1 . 2]" 2
1024 1 15 VAL HA 1 15 VAL MG2 . . 3.470 2.377 2.243 2.434 . 0 0 "[ . 1 . 2]" 2
1025 1 14 PRO HA 1 15 VAL MG1 . . 4.520 4.212 4.076 4.377 . 0 0 "[ . 1 . 2]" 2
1026 1 14 PRO HG2 1 15 VAL MG1 . . 4.470 4.233 3.666 4.417 . 0 0 "[ . 1 . 2]" 2
1027 1 15 VAL HA 1 15 VAL MG1 . . 3.350 3.195 3.177 3.203 . 0 0 "[ . 1 . 2]" 2
1028 1 43 VAL MG1 1 44 GLY H . . 3.880 3.789 3.567 3.897 0.017 10 0 "[ . 1 . 2]" 2
1029 1 43 VAL MG1 1 54 HIS HE1 . . 4.520 4.287 3.713 4.522 0.002 14 0 "[ . 1 . 2]" 2
1030 1 43 VAL HA 1 43 VAL MG1 . . 3.580 2.303 2.229 2.408 . 0 0 "[ . 1 . 2]" 2
1031 1 35 VAL MG1 1 36 SER H . . 4.310 3.688 3.473 3.927 . 0 0 "[ . 1 . 2]" 2
1032 1 34 SER HA 1 35 VAL MG1 . . 4.400 3.951 3.687 4.121 . 0 0 "[ . 1 . 2]" 2
1033 1 35 VAL MG1 1 45 ARG HB3 . . 5.060 4.010 2.729 4.553 . 0 0 "[ . 1 . 2]" 2
1034 1 35 VAL MG1 1 51 LEU HB3 . . 3.750 3.009 2.670 3.384 . 0 0 "[ . 1 . 2]" 2
1035 1 37 CYS H 1 43 VAL MG2 . . 4.420 4.115 3.817 4.398 . 0 0 "[ . 1 . 2]" 2
1036 1 43 VAL MG2 1 54 HIS HE1 . . 3.820 2.523 2.049 2.913 . 0 0 "[ . 1 . 2]" 2
1037 1 43 VAL HA 1 43 VAL MG2 . . 3.630 3.192 3.185 3.201 . 0 0 "[ . 1 . 2]" 2
1038 1 37 CYS HB2 1 43 VAL MG2 . . 4.320 3.084 2.795 3.429 . 0 0 "[ . 1 . 2]" 2
1039 1 37 CYS HB3 1 43 VAL MG2 . . 4.320 3.760 3.399 4.036 . 0 0 "[ . 1 . 2]" 2
1040 1 25 TRP HB2 1 35 VAL MG1 . . 4.970 4.283 3.674 4.726 . 0 0 "[ . 1 . 2]" 2
1041 1 25 TRP HB3 1 35 VAL MG1 . . 4.970 2.952 2.272 3.297 . 0 0 "[ . 1 . 2]" 2
1042 1 37 CYS HA 1 38 PRO HD3 . . 3.790 2.359 2.289 2.397 . 0 0 "[ . 1 . 2]" 2
1043 1 38 PRO HD3 1 51 LEU MD2 . . 4.480 2.742 2.399 3.079 . 0 0 "[ . 1 . 2]" 2
1044 1 37 CYS HA 1 38 PRO HD2 . . 3.790 1.953 1.930 2.023 . 0 0 "[ . 1 . 2]" 2
1045 1 38 PRO HD2 1 51 LEU MD1 . . 4.190 2.285 1.880 2.828 . 0 0 "[ . 1 . 2]" 2
1046 1 16 TYR HA 1 17 ALA MB . . 4.290 4.043 3.916 4.205 . 0 0 "[ . 1 . 2]" 2
1047 1 17 ALA MB 1 20 SER HB2 . . 4.280 2.489 1.826 3.457 . 0 0 "[ . 1 . 2]" 2
1048 1 83 MET H 1 84 ALA MB . . 4.450 4.177 3.900 4.445 . 0 0 "[ . 1 . 2]" 2
1049 1 84 ALA MB 1 85 ASN HD22 . . 4.240 3.391 2.614 3.874 . 0 0 "[ . 1 . 2]" 2
1050 1 84 ALA MB 1 85 ASN HA . . 4.540 3.824 3.602 4.131 . 0 0 "[ . 1 . 2]" 2
1051 1 81 HIS HA 1 84 ALA MB . . 3.650 2.564 2.265 3.115 . 0 0 "[ . 1 . 2]" 2
1052 1 12 GLU HA 1 13 PRO HD2 . . 3.070 2.216 1.949 2.504 . 0 0 "[ . 1 . 2]" 2
1053 1 12 GLU HA 1 13 PRO HD3 . . 3.070 2.281 2.250 2.357 . 0 0 "[ . 1 . 2]" 2
1054 1 18 ALA MB 1 19 GLY H . . 3.750 3.684 3.648 3.713 . 0 0 "[ . 1 . 2]" 2
1055 1 13 PRO HA 1 14 PRO HD3 . . 3.080 2.307 2.262 2.368 . 0 0 "[ . 1 . 2]" 2
1056 1 13 PRO HA 1 14 PRO HD2 . . 3.080 2.231 1.957 2.535 . 0 0 "[ . 1 . 2]" 2
1057 1 13 PRO HB3 1 14 PRO HD2 . . 4.830 3.152 2.726 3.666 . 0 0 "[ . 1 . 2]" 2
1058 1 13 PRO HB2 1 14 PRO HD2 . . 4.830 2.818 2.080 3.606 . 0 0 "[ . 1 . 2]" 2
1059 1 76 ALA MB 1 79 LYS QB . . 4.290 4.158 3.883 4.320 0.030 11 0 "[ . 1 . 2]" 2
1060 1 48 ILE H 1 48 ILE MG . . 4.130 3.771 3.757 3.849 . 0 0 "[ . 1 . 2]" 2
1061 1 25 TRP HE3 1 48 ILE MG . . 3.780 2.084 1.763 2.784 . 0 0 "[ . 1 . 2]" 2
1062 1 25 TRP HZ3 1 48 ILE MG . . 4.070 3.160 2.728 3.976 . 0 0 "[ . 1 . 2]" 2
1063 1 48 ILE HA 1 48 ILE MG . . 3.550 2.308 2.204 2.408 . 0 0 "[ . 1 . 2]" 2
1064 1 22 GLU HA 1 48 ILE MG . . 4.210 3.143 2.842 3.895 . 0 0 "[ . 1 . 2]" 2
1065 1 22 GLU HG3 1 48 ILE MG . . 4.320 3.755 2.677 4.295 . 0 0 "[ . 1 . 2]" 2
1066 1 48 ILE HG13 1 48 ILE MG . . 3.510 3.059 2.385 3.202 . 0 0 "[ . 1 . 2]" 2
1067 1 48 ILE HG12 1 48 ILE MG . . 3.510 2.538 2.284 3.189 . 0 0 "[ . 1 . 2]" 2
1068 1 22 GLU HB3 1 48 ILE MG . . 3.990 3.774 3.423 3.981 . 0 0 "[ . 1 . 2]" 2
1069 1 78 MET H 1 78 MET ME . . 4.820 4.723 4.417 4.852 0.032 8 0 "[ . 1 . 2]" 2
1070 1 71 GLN HE21 1 78 MET ME . . 5.500 5.245 4.734 5.497 . 0 0 "[ . 1 . 2]" 2
1071 1 63 PHE QD 1 78 MET ME . . 4.120 3.520 3.110 3.781 . 0 0 "[ . 1 . 2]" 2
1072 1 71 GLN HA 1 78 MET ME . . 4.260 2.931 2.576 3.217 . 0 0 "[ . 1 . 2]" 2
1073 1 75 LEU HA 1 78 MET ME . . 4.500 4.326 4.137 4.511 0.011 9 0 "[ . 1 . 2]" 2
1074 1 65 CYS HB3 1 78 MET ME . . 4.250 3.829 3.560 4.202 . 0 0 "[ . 1 . 2]" 2
1075 1 63 PHE HB2 1 78 MET ME . . 4.030 2.125 1.959 2.429 . 0 0 "[ . 1 . 2]" 2
1076 1 65 CYS H 1 78 MET ME . . 3.830 2.258 1.887 2.851 . 0 0 "[ . 1 . 2]" 2
1077 1 72 LEU H 1 78 MET ME . . 3.860 2.299 2.005 2.547 . 0 0 "[ . 1 . 2]" 2
1078 1 64 THR H 1 78 MET ME . . 4.150 3.193 2.984 3.525 . 0 0 "[ . 1 . 2]" 2
1079 1 63 PHE QE 1 78 MET ME . . 5.500 5.414 5.063 5.544 0.044 14 0 "[ . 1 . 2]" 2
1080 1 64 THR HA 1 78 MET ME . . 3.650 2.316 1.961 2.751 . 0 0 "[ . 1 . 2]" 2
1081 1 78 MET HA 1 78 MET ME . . 4.000 3.915 3.629 4.033 0.033 19 0 "[ . 1 . 2]" 2
1082 1 65 CYS HA 1 78 MET ME . . 3.850 3.749 3.507 3.874 0.024 14 0 "[ . 1 . 2]" 2
1083 1 64 THR MG 1 78 MET ME . . 4.500 3.836 3.506 4.151 . 0 0 "[ . 1 . 2]" 2
1084 1 72 LEU MD1 1 78 MET ME . . 3.530 3.349 2.949 3.585 0.055 5 0 "[ . 1 . 2]" 2
1085 1 92 GLY HA3 1 93 PRO QD . . 3.320 2.608 1.855 3.320 . 0 0 "[ . 1 . 2]" 2
1086 1 64 THR HB 1 78 MET ME . . 5.020 4.674 4.472 5.020 . 0 0 "[ . 1 . 2]" 2
1087 1 8 ARG HA 1 9 ILE MG . . 5.500 4.634 3.225 5.496 . 0 0 "[ . 1 . 2]" 2
1088 1 9 ILE MG 1 10 ARG HA . . 5.500 4.484 3.406 5.471 . 0 0 "[ . 1 . 2]" 2
1089 1 29 ILE MG 1 30 VAL H . . 4.000 3.383 3.132 3.830 . 0 0 "[ . 1 . 2]" 2
1090 1 29 ILE H 1 29 ILE MG . . 3.840 3.796 3.769 3.833 . 0 0 "[ . 1 . 2]" 2
1091 1 29 ILE MG 1 33 GLY HA2 . . 4.480 2.593 2.253 3.032 . 0 0 "[ . 1 . 2]" 2
1092 1 26 TYR HA 1 29 ILE MG . . 4.470 4.461 4.391 4.553 0.083 13 0 "[ . 1 . 2]" 2
1093 1 29 ILE MG 1 33 GLY HA3 . . 4.480 3.847 3.645 4.213 . 0 0 "[ . 1 . 2]" 2
1094 1 29 ILE MG 1 30 VAL HA . . 4.030 3.552 3.273 3.941 . 0 0 "[ . 1 . 2]" 2
1095 1 29 ILE HA 1 29 ILE MG . . 3.400 2.382 2.174 2.438 . 0 0 "[ . 1 . 2]" 2
1096 1 29 ILE HG13 1 29 ILE MG . . 3.550 3.148 3.109 3.179 . 0 0 "[ . 1 . 2]" 2
1097 1 29 ILE HG12 1 29 ILE MG . . 3.420 2.114 2.039 2.236 . 0 0 "[ . 1 . 2]" 2
1098 1 62 MET HA 1 62 MET ME . . 4.370 3.584 2.309 4.291 . 0 0 "[ . 1 . 2]" 2
1099 1 39 THR H 1 55 MET ME . . 4.500 4.160 3.840 4.481 . 0 0 "[ . 1 . 2]" 2
1100 1 55 MET H 1 55 MET ME . . 4.600 4.213 3.899 4.615 0.015 20 0 "[ . 1 . 2]" 2
1101 1 25 TRP HZ2 1 55 MET ME . . 3.630 2.773 1.964 3.522 . 0 0 "[ . 1 . 2]" 2
1102 1 25 TRP HH2 1 55 MET ME . . 3.600 2.679 2.216 3.385 . 0 0 "[ . 1 . 2]" 2
1103 1 39 THR HB 1 55 MET ME . . 4.880 4.719 4.083 4.889 0.009 12 0 "[ . 1 . 2]" 2
1104 1 38 PRO HD3 1 55 MET ME . . 4.090 3.533 3.103 4.000 . 0 0 "[ . 1 . 2]" 2
1105 1 38 PRO HD2 1 55 MET ME . . 4.090 2.671 2.132 3.009 . 0 0 "[ . 1 . 2]" 2
1106 1 55 MET HA 1 55 MET ME . . 4.210 4.049 3.840 4.208 . 0 0 "[ . 1 . 2]" 2
1107 1 51 LEU HG 1 55 MET ME . . 3.990 3.239 2.455 4.035 0.045 20 0 "[ . 1 . 2]" 2
1108 1 51 LEU MD1 1 55 MET ME . . 4.170 3.162 2.424 4.162 . 0 0 "[ . 1 . 2]" 2
1109 1 51 LEU MD2 1 55 MET ME . . 4.140 2.733 1.942 3.691 . 0 0 "[ . 1 . 2]" 2
1110 1 80 TYR QD 1 83 MET ME . . 3.820 3.244 2.666 3.778 . 0 0 "[ . 1 . 2]" 2
1111 1 80 TYR QE 1 83 MET ME . . 4.540 4.323 3.911 4.552 0.012 10 0 "[ . 1 . 2]" 2
1112 1 80 TYR HA 1 83 MET ME . . 3.930 2.330 1.835 3.724 . 0 0 "[ . 1 . 2]" 2
1113 1 83 MET ME 1 84 ALA MB . . 5.420 5.243 4.682 5.445 0.025 14 0 "[ . 1 . 2]" 2
1114 1 83 MET HA 1 83 MET ME . . 4.540 4.384 4.180 4.531 . 0 0 "[ . 1 . 2]" 2
1115 1 48 ILE MG 1 52 LYS HG3 . . 4.430 2.479 1.958 4.408 . 0 0 "[ . 1 . 2]" 2
1116 1 52 LYS H 1 52 LYS HG3 . . 4.270 2.731 1.875 3.813 . 0 0 "[ . 1 . 2]" 2
1117 1 9 ILE HG13 1 9 ILE MG . . 3.660 2.909 2.272 3.202 . 0 0 "[ . 1 . 2]" 2
1118 1 9 ILE HG12 1 9 ILE MG . . 3.660 2.410 2.043 3.203 . 0 0 "[ . 1 . 2]" 2
1119 1 18 ALA H 1 18 ALA MB . . 3.310 2.232 2.058 2.932 . 0 0 "[ . 1 . 2]" 2
1120 1 64 THR HA 1 71 GLN HA . . 4.370 2.822 2.697 2.920 . 0 0 "[ . 1 . 2]" 2
1121 1 73 ARG HA 1 73 ARG HG2 . . 3.990 3.247 2.257 3.909 . 0 0 "[ . 1 . 2]" 2
1122 1 13 PRO HA 1 14 PRO HG3 . . 4.610 4.411 4.326 4.563 . 0 0 "[ . 1 . 2]" 2
1123 1 15 VAL HA 1 16 TYR HA . . 4.840 4.741 4.526 4.879 0.039 18 0 "[ . 1 . 2]" 2
1124 1 14 PRO HA 1 15 VAL HA . . 4.660 4.315 4.305 4.343 . 0 0 "[ . 1 . 2]" 2
1125 1 15 VAL HA 1 16 TYR QD . . 5.500 5.429 5.098 5.537 0.037 15 0 "[ . 1 . 2]" 2
1126 1 16 TYR HB2 1 22 GLU HB2 . . 4.810 3.892 2.535 4.811 0.001 18 0 "[ . 1 . 2]" 2
1127 1 16 TYR HB2 1 23 GLU HB2 . . 5.500 3.168 2.714 3.653 . 0 0 "[ . 1 . 2]" 2
1128 1 14 PRO HG2 1 16 TYR HB2 . . 5.500 3.323 2.485 4.759 . 0 0 "[ . 1 . 2]" 2
1129 1 16 TYR HB2 1 23 GLU HB3 . . 5.500 4.713 3.913 5.330 . 0 0 "[ . 1 . 2]" 2
1130 1 14 PRO HG2 1 16 TYR HB3 . . 5.500 4.747 4.166 5.505 0.005 16 0 "[ . 1 . 2]" 2
1131 1 16 TYR HB3 1 23 GLU HB3 . . 5.500 4.894 4.054 5.500 . 0 0 "[ . 1 . 2]" 2
1132 1 16 TYR HB3 1 22 GLU HB2 . . 4.810 2.598 2.000 3.109 . 0 0 "[ . 1 . 2]" 2
1133 1 18 ALA HA 1 20 SER H . . 4.740 4.519 4.252 4.746 0.006 13 0 "[ . 1 . 2]" 2
1134 1 18 ALA HA 1 19 GLY HA2 . . 5.030 4.369 4.313 4.420 . 0 0 "[ . 1 . 2]" 2
1135 1 21 LEU HA 1 24 GLN HG3 . . 4.680 2.981 2.263 3.700 . 0 0 "[ . 1 . 2]" 2
1136 1 20 SER HA 1 21 LEU HA . . 4.830 4.300 4.293 4.321 . 0 0 "[ . 1 . 2]" 2
1137 1 21 LEU HB3 1 21 LEU MD2 . . 3.580 2.314 2.190 2.358 . 0 0 "[ . 1 . 2]" 2
1138 1 22 GLU HA 1 25 TRP HZ3 . . 4.710 3.586 2.879 4.608 . 0 0 "[ . 1 . 2]" 2
1139 1 22 GLU HG2 1 48 ILE MG . . 4.320 3.278 2.481 4.184 . 0 0 "[ . 1 . 2]" 2
1140 1 22 GLU HG2 1 25 TRP HE3 . . 4.900 4.083 3.353 4.878 . 0 0 "[ . 1 . 2]" 2
1141 1 22 GLU HG3 1 25 TRP HE3 . . 4.900 3.763 2.787 4.649 . 0 0 "[ . 1 . 2]" 2
1142 1 23 GLU HG3 1 24 GLN H . . 4.680 3.851 3.160 4.551 . 0 0 "[ . 1 . 2]" 2
1143 1 23 GLU H 1 23 GLU HG3 . . 4.740 4.418 4.293 4.476 . 0 0 "[ . 1 . 2]" 2
1144 1 25 TRP HD1 1 51 LEU MD2 . . 4.910 4.292 3.873 4.656 . 0 0 "[ . 1 . 2]" 2
1145 1 25 TRP HH2 1 51 LEU MD2 . . 5.470 4.260 3.639 5.061 . 0 0 "[ . 1 . 2]" 2
1146 1 26 TYR QB 1 27 LEU MD2 . . 4.700 4.060 3.882 4.256 . 0 0 "[ . 1 . 2]" 2
1147 1 27 LEU MD2 1 28 GLU H . . 4.680 4.636 4.571 4.700 0.020 14 0 "[ . 1 . 2]" 2
1148 1 28 GLU HA 1 28 GLU HG3 . . 3.800 2.739 2.291 3.733 . 0 0 "[ . 1 . 2]" 2
1149 1 28 GLU QB 1 29 ILE HG13 . . 3.810 2.960 2.811 3.059 . 0 0 "[ . 1 . 2]" 2
1150 1 28 GLU HG2 1 32 LYS HG3 . . 4.890 4.307 3.372 4.783 . 0 0 "[ . 1 . 2]" 2
1151 1 28 GLU HG3 1 32 LYS HG3 . . 4.890 3.450 2.768 4.811 . 0 0 "[ . 1 . 2]" 2
1152 1 29 ILE HA 1 34 SER HA . . 4.650 3.267 2.928 3.508 . 0 0 "[ . 1 . 2]" 2
1153 1 29 ILE MG 1 35 VAL H . . 4.760 4.098 3.346 4.477 . 0 0 "[ . 1 . 2]" 2
1154 1 25 TRP HB3 1 29 ILE MD . . 4.760 3.534 2.880 3.989 . 0 0 "[ . 1 . 2]" 2
1155 1 28 GLU QB 1 29 ILE MD . . 4.700 4.049 3.836 4.277 . 0 0 "[ . 1 . 2]" 2
1156 1 25 TRP HB2 1 29 ILE MD . . 4.760 4.108 3.682 4.743 . 0 0 "[ . 1 . 2]" 2
1157 1 26 TYR QE 1 29 ILE MD . . 4.720 4.447 4.038 4.722 0.002 16 0 "[ . 1 . 2]" 2
1158 1 29 ILE MD 1 47 THR H . . 4.660 4.230 3.656 4.443 . 0 0 "[ . 1 . 2]" 2
1159 1 26 TYR HA 1 30 VAL MG1 . . 4.580 3.880 3.522 4.127 . 0 0 "[ . 1 . 2]" 2
1160 1 30 VAL MG2 1 31 ASP HB2 . . 4.310 2.772 2.658 2.849 . 0 0 "[ . 1 . 2]" 2
1161 1 30 VAL H 1 30 VAL MG2 . . 3.490 2.597 2.440 2.708 . 0 0 "[ . 1 . 2]" 2
1162 1 30 VAL MG2 1 31 ASP HB3 . . 4.730 4.062 3.980 4.126 . 0 0 "[ . 1 . 2]" 2
1163 1 31 ASP HB3 1 32 LYS HG2 . . 4.140 2.411 2.303 2.507 . 0 0 "[ . 1 . 2]" 2
1164 1 30 VAL H 1 31 ASP HB3 . . 5.500 5.292 4.996 5.424 . 0 0 "[ . 1 . 2]" 2
1165 1 31 ASP HB2 1 32 LYS HG2 . . 4.480 4.073 3.944 4.156 . 0 0 "[ . 1 . 2]" 2
1166 1 31 ASP HB2 1 32 LYS QD . . 5.500 5.283 5.095 5.516 0.016 13 0 "[ . 1 . 2]" 2
1167 1 30 VAL H 1 31 ASP HB2 . . 4.750 4.626 4.343 4.745 . 0 0 "[ . 1 . 2]" 2
1168 1 29 ILE H 1 35 VAL HB . . 4.740 4.167 3.766 4.399 . 0 0 "[ . 1 . 2]" 2
1169 1 32 LYS QE 1 32 LYS HG3 . . 3.920 3.045 2.673 3.239 . 0 0 "[ . 1 . 2]" 2
1170 1 34 SER HB2 1 46 LYS QG . . 4.670 4.435 3.317 4.684 0.014 10 0 "[ . 1 . 2]" 2
1171 1 25 TRP HB2 1 35 VAL MG2 . . 4.000 3.526 3.258 3.732 . 0 0 "[ . 1 . 2]" 2
1172 1 29 ILE HG13 1 35 VAL MG1 . . 3.780 3.564 3.261 3.786 0.006 14 0 "[ . 1 . 2]" 2
1173 1 35 VAL MG2 1 36 SER HB2 . . 4.720 4.538 4.321 4.689 . 0 0 "[ . 1 . 2]" 2
1174 1 35 VAL MG2 1 36 SER HB3 . . 4.720 3.884 3.650 4.146 . 0 0 "[ . 1 . 2]" 2
1175 1 38 PRO HA 1 41 GLN HE22 . . 4.750 4.523 4.349 4.705 . 0 0 "[ . 1 . 2]" 2
1176 1 38 PRO HG3 1 39 THR H . . 4.670 4.506 4.315 4.640 . 0 0 "[ . 1 . 2]" 2
1177 1 38 PRO HD3 1 39 THR H . . 4.620 3.993 3.920 4.054 . 0 0 "[ . 1 . 2]" 2
1178 1 40 CYS HB2 1 41 GLN H . . 4.840 3.976 3.637 4.088 . 0 0 "[ . 1 . 2]" 2
1179 1 35 VAL MG1 1 45 ARG HB2 . . 5.060 3.340 2.702 4.789 . 0 0 "[ . 1 . 2]" 2
1180 1 29 ILE MG 1 46 LYS HA . . 4.180 3.849 3.241 4.224 0.044 13 0 "[ . 1 . 2]" 2
1181 1 37 CYS HA 1 51 LEU HG . . 4.640 4.458 4.074 4.643 0.003 14 0 "[ . 1 . 2]" 2
1182 1 46 LYS HB3 1 47 THR MG . . 4.480 3.358 2.949 4.546 0.066 12 0 "[ . 1 . 2]" 2
1183 1 48 ILE HA 1 51 LEU HB2 . . 4.080 3.652 3.090 3.975 . 0 0 "[ . 1 . 2]" 2
1184 1 48 ILE HA 1 51 LEU MD2 . . 4.750 2.858 2.483 3.255 . 0 0 "[ . 1 . 2]" 2
1185 1 48 ILE MG 1 52 LYS QD . . 3.290 2.696 1.762 3.306 0.016 12 0 "[ . 1 . 2]" 2
1186 1 48 ILE MG 1 52 LYS H . . 4.580 3.345 2.853 3.954 . 0 0 "[ . 1 . 2]" 2
1187 1 27 LEU H 1 48 ILE MD . . 5.010 4.753 4.306 5.014 0.004 14 0 "[ . 1 . 2]" 2
1188 1 51 LEU H 1 51 LEU HG . . 4.750 4.331 4.248 4.392 . 0 0 "[ . 1 . 2]" 2
1189 1 51 LEU HG 1 52 LYS H . . 5.030 3.192 2.941 3.730 . 0 0 "[ . 1 . 2]" 2
1190 1 38 PRO HD2 1 51 LEU MD2 . . 4.480 3.194 2.846 3.542 . 0 0 "[ . 1 . 2]" 2
1191 1 35 VAL MG2 1 51 LEU MD1 . . 3.600 3.318 2.783 3.601 0.001 9 0 "[ . 1 . 2]" 2
1192 1 51 LEU MD1 1 55 MET HB3 . . 4.600 2.779 2.250 3.112 . 0 0 "[ . 1 . 2]" 2
1193 1 51 LEU H 1 51 LEU MD1 . . 4.240 4.238 4.171 4.277 0.037 20 0 "[ . 1 . 2]" 2
1194 1 51 LEU HG 1 52 LYS HA . . 4.850 3.228 3.061 3.559 . 0 0 "[ . 1 . 2]" 2
1195 1 53 LYS HA 1 56 GLU HB2 . . 4.110 2.621 2.315 4.152 0.042 18 0 "[ . 1 . 2]" 2
1196 1 51 LEU HA 1 54 HIS HB3 . . 4.730 2.444 2.196 2.571 . 0 0 "[ . 1 . 2]" 2
1197 1 55 MET HB3 1 55 MET ME . . 3.660 2.301 2.020 3.055 . 0 0 "[ . 1 . 2]" 2
1198 1 55 MET HB2 1 55 MET ME . . 3.660 2.163 1.945 2.627 . 0 0 "[ . 1 . 2]" 2
1199 1 55 MET HA 1 58 CYS HA . . 4.870 4.677 4.338 4.868 . 0 0 "[ . 1 . 2]" 2
1200 1 61 GLU HA 1 61 GLU HG3 . . 3.940 2.894 2.192 3.841 . 0 0 "[ . 1 . 2]" 2
1201 1 61 GLU H 1 61 GLU HG2 . . 4.890 4.004 2.297 4.988 0.098 20 0 "[ . 1 . 2]" 2
1202 1 64 THR HB 1 65 CYS H . . 4.760 4.226 4.107 4.321 . 0 0 "[ . 1 . 2]" 2
1203 1 64 THR MG 1 71 GLN HE22 . . 4.690 4.123 3.562 4.666 . 0 0 "[ . 1 . 2]" 2
1204 1 64 THR MG 1 65 CYS HB2 . . 5.280 4.928 4.607 5.128 . 0 0 "[ . 1 . 2]" 2
1205 1 64 THR HA 1 65 CYS HB2 . . 5.190 4.798 4.667 4.921 . 0 0 "[ . 1 . 2]" 2
1206 1 74 SER HB3 1 77 GLY H . . 4.760 3.478 2.727 4.579 . 0 0 "[ . 1 . 2]" 2
1207 1 70 LYS HB3 1 78 MET ME . . 4.070 3.270 2.999 3.663 . 0 0 "[ . 1 . 2]" 2
1208 1 72 LEU HG 1 78 MET ME . . 3.930 3.724 3.335 3.947 0.017 17 0 "[ . 1 . 2]" 2
1209 1 72 LEU HB2 1 78 MET ME . . 3.640 2.826 2.521 3.154 . 0 0 "[ . 1 . 2]" 2
1210 1 79 LYS QB 1 80 TYR HA . . 4.620 3.975 3.909 4.065 . 0 0 "[ . 1 . 2]" 2
1211 1 82 VAL MG1 1 83 MET HA . . 4.250 3.316 2.946 3.504 . 0 0 "[ . 1 . 2]" 2
1212 1 79 LYS QE 1 83 MET ME . . 5.450 5.093 4.247 5.487 0.037 13 0 "[ . 1 . 2]" 2
1213 1 80 TYR QB 1 83 MET ME . . 4.610 3.795 2.970 4.622 0.012 14 0 "[ . 1 . 2]" 2
1214 1 80 TYR QD 1 84 ALA MB . . 4.430 3.050 2.258 4.140 . 0 0 "[ . 1 . 2]" 2
1215 1 51 LEU MD1 1 54 HIS HD2 . . 4.190 2.773 2.216 3.687 . 0 0 "[ . 1 . 2]" 2
1216 1 21 LEU HB2 1 25 TRP HH2 . . 5.440 3.803 3.506 4.336 . 0 0 "[ . 1 . 2]" 2
1217 1 25 TRP HE3 1 51 LEU MD2 . . 4.650 3.232 2.629 3.899 . 0 0 "[ . 1 . 2]" 2
1218 1 36 SER H 1 51 LEU MD2 . . 5.500 4.933 4.093 5.230 . 0 0 "[ . 1 . 2]" 2
1219 1 51 LEU MD2 1 52 LYS H . . 4.950 3.554 3.333 3.884 . 0 0 "[ . 1 . 2]" 2
1220 1 72 LEU HB2 1 74 SER H . . 4.960 4.266 3.584 4.750 . 0 0 "[ . 1 . 2]" 2
1221 1 66 HIS HA 1 66 HIS HD2 . . 4.760 3.332 2.265 4.662 . 0 0 "[ . 1 . 2]" 2
1222 1 67 HIS HA 1 68 CYS HA . . 4.890 4.569 4.546 4.586 . 0 0 "[ . 1 . 2]" 2
1223 1 67 HIS HA 1 67 HIS HD2 . . 4.880 4.219 3.535 4.749 . 0 0 "[ . 1 . 2]" 2
1224 1 65 CYS HB2 1 70 LYS HB2 . . 4.800 4.274 3.869 4.771 . 0 0 "[ . 1 . 2]" 2
1225 1 71 GLN HG3 1 72 LEU H . . 5.500 5.267 5.126 5.350 . 0 0 "[ . 1 . 2]" 2
1226 1 73 ARG H 1 73 ARG HG2 . . 4.980 3.412 1.951 4.625 . 0 0 "[ . 1 . 2]" 2
1227 1 73 ARG H 1 73 ARG HG3 . . 4.980 3.446 2.180 4.632 . 0 0 "[ . 1 . 2]" 2
1228 1 73 ARG H 1 73 ARG QD . . 4.870 3.886 1.893 4.725 . 0 0 "[ . 1 . 2]" 2
1229 1 73 ARG QD 1 74 SER H . . 4.940 4.336 3.259 4.940 0.000 6 0 "[ . 1 . 2]" 2
1230 1 74 SER HA 1 75 LEU HA . . 4.930 4.376 4.327 4.432 . 0 0 "[ . 1 . 2]" 2
1231 1 72 LEU MD1 1 81 HIS HB3 . . 3.820 2.901 2.693 3.000 . 0 0 "[ . 1 . 2]" 2
1232 1 72 LEU MD1 1 78 MET HA . . 3.590 1.908 1.844 1.948 . 0 0 "[ . 1 . 2]" 2
1233 1 72 LEU MD1 1 78 MET HG3 . . 4.540 3.410 2.824 3.896 . 0 0 "[ . 1 . 2]" 2
1234 1 8 ARG QB 1 9 ILE H . . 4.230 3.156 2.268 4.046 . 0 0 "[ . 1 . 2]" 2
1235 1 9 ILE H 1 9 ILE QG . . 3.900 2.631 1.898 3.971 0.071 7 0 "[ . 1 . 2]" 2
1236 1 9 ILE HA 1 9 ILE QG . . 3.700 2.852 2.276 3.422 . 0 0 "[ . 1 . 2]" 2
1237 1 12 GLU H 1 12 GLU QB . . 3.390 2.691 2.147 3.235 . 0 0 "[ . 1 . 2]" 2
1238 1 12 GLU QB 1 13 PRO QD . . 3.150 2.496 2.001 3.174 0.024 12 0 "[ . 1 . 2]" 2
1239 1 12 GLU QG 1 13 PRO QD . . 4.000 3.272 1.809 3.906 . 0 0 "[ . 1 . 2]" 2
1240 1 13 PRO QB 1 14 PRO QD . . 3.130 2.562 1.999 3.128 . 0 0 "[ . 1 . 2]" 2
1241 1 13 PRO QG 1 14 PRO QD . . 4.500 4.184 3.796 4.513 0.013 18 0 "[ . 1 . 2]" 2
1242 1 14 PRO QB 1 16 TYR H . . 4.720 2.616 2.366 2.935 . 0 0 "[ . 1 . 2]" 2
1243 1 14 PRO QB 1 16 TYR QD . . 4.390 2.671 2.045 3.679 . 0 0 "[ . 1 . 2]" 2
1244 1 14 PRO HG2 1 16 TYR QB . . 4.850 3.229 2.467 4.490 . 0 0 "[ . 1 . 2]" 2
1245 1 16 TYR H 1 16 TYR QB . . 3.280 2.796 2.619 3.134 . 0 0 "[ . 1 . 2]" 2
1246 1 16 TYR QB 1 17 ALA H . . 3.680 2.622 2.146 3.044 . 0 0 "[ . 1 . 2]" 2
1247 1 16 TYR QB 1 23 GLU H . . 4.430 3.044 2.562 3.353 . 0 0 "[ . 1 . 2]" 2
1248 1 16 TYR QB 1 23 GLU QB . . 3.970 2.834 2.341 3.335 . 0 0 "[ . 1 . 2]" 2
1249 1 16 TYR QD 1 22 GLU QG . . 4.920 3.833 2.492 4.835 . 0 0 "[ . 1 . 2]" 2
1250 1 16 TYR QD 1 23 GLU QB . . 4.380 3.969 2.639 4.383 0.003 18 0 "[ . 1 . 2]" 2
1251 1 17 ALA MB 1 19 GLY QA . . 5.040 4.250 4.023 4.527 . 0 0 "[ . 1 . 2]" 2
1252 1 17 ALA MB 1 20 SER QB . . 3.420 2.205 1.740 2.841 . 0 0 "[ . 1 . 2]" 2
1253 1 18 ALA HA 1 19 GLY QA . . 4.250 3.955 3.898 4.005 . 0 0 "[ . 1 . 2]" 2
1254 1 18 ALA MB 1 19 GLY QA . . 4.360 3.906 3.871 3.961 . 0 0 "[ . 1 . 2]" 2
1255 1 20 SER H 1 23 GLU QB . . 3.750 2.977 2.540 3.725 . 0 0 "[ . 1 . 2]" 2
1256 1 20 SER QB 1 21 LEU H . . 3.480 2.478 2.050 3.018 . 0 0 "[ . 1 . 2]" 2
1257 1 20 SER QB 1 21 LEU HA . . 4.930 4.504 4.265 4.747 . 0 0 "[ . 1 . 2]" 2
1258 1 20 SER QB 1 22 GLU HA . . 5.330 4.998 4.788 5.164 . 0 0 "[ . 1 . 2]" 2
1259 1 20 SER QB 1 23 GLU H . . 4.230 3.409 3.097 3.979 . 0 0 "[ . 1 . 2]" 2
1260 1 21 LEU HA 1 24 GLN QE . . 4.900 3.222 2.246 4.343 . 0 0 "[ . 1 . 2]" 2
1261 1 21 LEU HG 1 24 GLN QE . . 5.120 4.130 3.333 5.072 . 0 0 "[ . 1 . 2]" 2
1262 1 21 LEU MD2 1 24 GLN QE . . 4.330 2.798 1.840 3.996 . 0 0 "[ . 1 . 2]" 2
1263 1 21 LEU MD2 1 38 PRO QG . . 5.030 4.246 3.546 4.977 . 0 0 "[ . 1 . 2]" 2
1264 1 22 GLU H 1 22 GLU QG . . 3.610 2.468 1.957 3.276 . 0 0 "[ . 1 . 2]" 2
1265 1 22 GLU H 1 23 GLU QB . . 4.850 4.659 4.444 4.789 . 0 0 "[ . 1 . 2]" 2
1266 1 22 GLU HA 1 22 GLU QG . . 3.580 2.374 2.187 2.503 . 0 0 "[ . 1 . 2]" 2
1267 1 22 GLU QG 1 25 TRP HZ3 . . 4.590 2.990 2.204 3.954 . 0 0 "[ . 1 . 2]" 2
1268 1 22 GLU QG 1 48 ILE MG . . 3.630 2.910 2.439 3.385 . 0 0 "[ . 1 . 2]" 2
1269 1 22 GLU QG 1 48 ILE MD . . 4.270 3.395 2.817 4.017 . 0 0 "[ . 1 . 2]" 2
1270 1 22 GLU QG 1 52 LYS QE . . 4.590 3.293 2.573 4.585 . 0 0 "[ . 1 . 2]" 2
1271 1 23 GLU H 1 23 GLU QB . . 3.110 2.245 2.201 2.265 . 0 0 "[ . 1 . 2]" 2
1272 1 23 GLU HA 1 23 GLU QG . . 3.710 2.719 2.245 3.092 . 0 0 "[ . 1 . 2]" 2
1273 1 23 GLU QB 1 24 GLN H . . 3.720 2.420 2.200 2.668 . 0 0 "[ . 1 . 2]" 2
1274 1 23 GLU QG 1 27 LEU H . . 5.190 4.463 4.205 4.716 . 0 0 "[ . 1 . 2]" 2
1275 1 23 GLU QG 1 27 LEU MD2 . . 4.250 3.585 3.112 4.226 . 0 0 "[ . 1 . 2]" 2
1276 1 25 TRP H 1 25 TRP QB . . 3.340 2.543 2.400 2.635 . 0 0 "[ . 1 . 2]" 2
1277 1 25 TRP QB 1 26 TYR H . . 3.920 2.460 2.202 2.849 . 0 0 "[ . 1 . 2]" 2
1278 1 25 TRP QB 1 35 VAL MG1 . . 4.160 2.901 2.251 3.238 . 0 0 "[ . 1 . 2]" 2
1279 1 25 TRP QB 1 35 VAL MG2 . . 3.500 2.044 1.817 2.317 . 0 0 "[ . 1 . 2]" 2
1280 1 25 TRP QB 1 48 ILE MD . . 3.150 2.216 1.833 2.566 . 0 0 "[ . 1 . 2]" 2
1281 1 25 TRP QB 1 51 LEU MD2 . . 4.630 3.043 2.750 3.299 . 0 0 "[ . 1 . 2]" 2
1282 1 25 TRP HD1 1 38 PRO QG . . 5.350 4.508 3.955 5.221 . 0 0 "[ . 1 . 2]" 2
1283 1 25 TRP HE3 1 48 ILE QG . . 5.180 3.590 3.095 4.816 . 0 0 "[ . 1 . 2]" 2
1284 1 25 TRP HE1 1 38 PRO QB . . 3.560 2.633 1.890 3.100 . 0 0 "[ . 1 . 2]" 2
1285 1 25 TRP HE1 1 38 PRO QG . . 3.690 2.776 2.200 3.253 . 0 0 "[ . 1 . 2]" 2
1286 1 25 TRP HE1 1 38 PRO QD . . 4.680 3.887 3.352 4.359 . 0 0 "[ . 1 . 2]" 2
1287 1 25 TRP HH2 1 38 PRO QG . . 5.350 4.087 3.361 4.804 . 0 0 "[ . 1 . 2]" 2
1288 1 26 TYR HA 1 48 ILE QG . . 5.120 3.060 2.805 3.340 . 0 0 "[ . 1 . 2]" 2
1289 1 26 TYR QD 1 48 ILE QG . . 4.100 3.464 2.903 3.754 . 0 0 "[ . 1 . 2]" 2
1290 1 28 GLU H 1 28 GLU QG . . 4.090 3.761 2.166 4.080 . 0 0 "[ . 1 . 2]" 2
1291 1 28 GLU HA 1 28 GLU QG . . 3.330 2.521 2.160 2.929 . 0 0 "[ . 1 . 2]" 2
1292 1 28 GLU QG 1 32 LYS HG3 . . 4.260 3.211 2.739 4.274 0.014 13 0 "[ . 1 . 2]" 2
1293 1 28 GLU QG 1 32 LYS QD . . 5.340 4.712 4.362 5.187 . 0 0 "[ . 1 . 2]" 2
1294 1 28 GLU QG 1 35 VAL HA . . 4.040 2.644 2.063 3.797 . 0 0 "[ . 1 . 2]" 2
1295 1 28 GLU QG 1 35 VAL MG2 . . 3.930 3.055 2.453 3.605 . 0 0 "[ . 1 . 2]" 2
1296 1 28 GLU QG 1 36 SER H . . 4.270 3.261 2.474 4.141 . 0 0 "[ . 1 . 2]" 2
1297 1 29 ILE MG 1 33 GLY QA . . 3.740 2.553 2.233 2.967 . 0 0 "[ . 1 . 2]" 2
1298 1 31 ASP HB3 1 32 LYS QB . . 4.500 4.231 4.136 4.324 . 0 0 "[ . 1 . 2]" 2
1299 1 32 LYS H 1 32 LYS QB . . 3.360 2.655 2.594 2.705 . 0 0 "[ . 1 . 2]" 2
1300 1 32 LYS H 1 33 GLY QA . . 4.460 4.105 3.962 4.276 . 0 0 "[ . 1 . 2]" 2
1301 1 32 LYS QB 1 32 LYS QE . . 3.800 3.457 2.991 3.737 . 0 0 "[ . 1 . 2]" 2
1302 1 33 GLY QA 1 34 SER QB . . 4.680 3.903 3.757 4.323 . 0 0 "[ . 1 . 2]" 2
1303 1 34 SER QB 1 35 VAL H . . 3.540 2.563 2.153 2.958 . 0 0 "[ . 1 . 2]" 2
1304 1 34 SER QB 1 35 VAL MG1 . . 4.300 4.042 3.800 4.258 . 0 0 "[ . 1 . 2]" 2
1305 1 34 SER QB 1 45 ARG H . . 5.340 3.553 2.858 4.000 . 0 0 "[ . 1 . 2]" 2
1306 1 34 SER QB 1 46 LYS QG . . 3.980 3.680 2.267 4.015 0.035 12 0 "[ . 1 . 2]" 2
1307 1 35 VAL H 1 44 GLY QA . . 4.610 4.150 3.663 4.582 . 0 0 "[ . 1 . 2]" 2
1308 1 35 VAL HA 1 36 SER QB . . 4.220 4.049 4.019 4.088 . 0 0 "[ . 1 . 2]" 2
1309 1 35 VAL MG1 1 44 GLY QA . . 5.170 3.584 3.420 3.784 . 0 0 "[ . 1 . 2]" 2
1310 1 35 VAL MG1 1 45 ARG QB . . 4.200 3.058 2.650 4.014 . 0 0 "[ . 1 . 2]" 2
1311 1 36 SER QB 1 37 CYS H . . 3.960 3.331 3.192 3.483 . 0 0 "[ . 1 . 2]" 2
1312 1 36 SER QB 1 41 GLN HA . . 4.200 3.866 3.301 4.108 . 0 0 "[ . 1 . 2]" 2
1313 1 36 SER QB 1 41 GLN HG2 . . 4.780 4.326 3.716 4.724 . 0 0 "[ . 1 . 2]" 2
1314 1 37 CYS H 1 44 GLY QA . . 3.800 3.014 2.741 3.592 . 0 0 "[ . 1 . 2]" 2
1315 1 37 CYS HA 1 38 PRO QG . . 4.000 3.772 3.766 3.797 . 0 0 "[ . 1 . 2]" 2
1316 1 37 CYS QB 1 40 CYS H . . 3.880 2.889 2.736 3.068 . 0 0 "[ . 1 . 2]" 2
1317 1 37 CYS QB 1 42 ALA H . . 4.000 2.621 2.439 3.050 . 0 0 "[ . 1 . 2]" 2
1318 1 37 CYS QB 1 43 VAL H . . 4.080 2.971 2.802 3.301 . 0 0 "[ . 1 . 2]" 2
1319 1 37 CYS QB 1 43 VAL MG2 . . 3.800 2.943 2.711 3.154 . 0 0 "[ . 1 . 2]" 2
1320 1 37 CYS QB 1 51 LEU MD1 . . 3.780 3.015 2.631 3.298 . 0 0 "[ . 1 . 2]" 2
1321 1 38 PRO QG 1 39 THR H . . 4.100 3.137 2.902 3.300 . 0 0 "[ . 1 . 2]" 2
1322 1 38 PRO QG 1 51 LEU MD1 . . 4.250 3.544 3.120 4.099 . 0 0 "[ . 1 . 2]" 2
1323 1 38 PRO QG 1 55 MET ME . . 3.240 2.019 1.757 2.617 . 0 0 "[ . 1 . 2]" 2
1324 1 38 PRO QD 1 39 THR H . . 3.940 2.862 2.736 2.966 . 0 0 "[ . 1 . 2]" 2
1325 1 38 PRO QD 1 51 LEU MD1 . . 3.590 2.105 1.726 2.588 . 0 0 "[ . 1 . 2]" 2
1326 1 38 PRO QD 1 51 LEU MD2 . . 3.920 2.587 2.343 2.900 . 0 0 "[ . 1 . 2]" 2
1327 1 38 PRO QD 1 55 MET ME . . 3.460 2.594 2.097 2.927 . 0 0 "[ . 1 . 2]" 2
1328 1 39 THR MG 1 59 LYS QB . . 4.180 3.523 1.845 4.175 . 0 0 "[ . 1 . 2]" 2
1329 1 39 THR MG 1 60 GLN QB . . 4.160 3.517 2.548 4.182 0.022 20 0 "[ . 1 . 2]" 2
1330 1 40 CYS QB 1 41 GLN H . . 4.190 3.546 3.382 3.630 . 0 0 "[ . 1 . 2]" 2
1331 1 40 CYS QB 1 42 ALA H . . 4.010 3.641 3.307 3.877 . 0 0 "[ . 1 . 2]" 2
1332 1 40 CYS QB 1 42 ALA MB . . 3.600 2.813 2.571 2.997 . 0 0 "[ . 1 . 2]" 2
1333 1 43 VAL HA 1 44 GLY QA . . 4.540 3.903 3.889 3.941 . 0 0 "[ . 1 . 2]" 2
1334 1 45 ARG H 1 45 ARG QG . . 4.590 3.516 2.953 4.316 . 0 0 "[ . 1 . 2]" 2
1335 1 45 ARG QB 1 51 LEU HA . . 4.870 3.010 2.669 3.613 . 0 0 "[ . 1 . 2]" 2
1336 1 45 ARG QB 1 51 LEU MD1 . . 4.050 3.660 3.245 4.050 . 0 0 "[ . 1 . 2]" 2
1337 1 45 ARG QG 1 51 LEU H . . 4.460 3.161 2.263 4.424 . 0 0 "[ . 1 . 2]" 2
1338 1 45 ARG QG 1 51 LEU HA . . 4.080 2.735 1.978 4.057 . 0 0 "[ . 1 . 2]" 2
1339 1 45 ARG QD 1 51 LEU HB2 . . 5.340 4.758 3.272 5.330 . 0 0 "[ . 1 . 2]" 2
1340 1 46 LYS QB 1 46 LYS QE . . 3.960 2.952 2.022 3.698 . 0 0 "[ . 1 . 2]" 2
1341 1 46 LYS QB 1 47 THR MG . . 3.750 3.140 2.911 3.655 . 0 0 "[ . 1 . 2]" 2
1342 1 48 ILE HA 1 48 ILE QG . . 3.610 2.549 2.406 2.879 . 0 0 "[ . 1 . 2]" 2
1343 1 48 ILE HB 1 52 LYS QE . . 4.560 3.887 2.548 4.594 0.034 17 0 "[ . 1 . 2]" 2
1344 1 48 ILE MG 1 52 LYS QE . . 3.300 2.262 1.765 3.288 . 0 0 "[ . 1 . 2]" 2
1345 1 48 ILE QG 1 49 GLU H . . 4.670 3.795 3.583 4.008 . 0 0 "[ . 1 . 2]" 2
1346 1 49 GLU H 1 49 GLU QB . . 3.240 2.389 2.140 2.634 . 0 0 "[ . 1 . 2]" 2
1347 1 49 GLU H 1 49 GLU QG . . 3.810 2.667 1.905 3.855 0.045 16 0 "[ . 1 . 2]" 2
1348 1 49 GLU HA 1 52 LYS QE . . 4.410 3.737 2.071 4.380 . 0 0 "[ . 1 . 2]" 2
1349 1 49 GLU QG 1 50 GLY H . . 4.720 3.742 1.906 4.269 . 0 0 "[ . 1 . 2]" 2
1350 1 51 LEU HG 1 55 MET QB . . 4.680 3.217 2.779 3.557 . 0 0 "[ . 1 . 2]" 2
1351 1 51 LEU MD1 1 55 MET QB . . 3.870 2.745 2.235 3.062 . 0 0 "[ . 1 . 2]" 2
1352 1 52 LYS H 1 52 LYS QG . . 3.630 2.482 1.867 3.502 . 0 0 "[ . 1 . 2]" 2
1353 1 52 LYS HA 1 55 MET QG . . 4.180 2.090 1.894 2.399 . 0 0 "[ . 1 . 2]" 2
1354 1 52 LYS QE 1 52 LYS QG . . 3.310 2.226 2.035 2.521 . 0 0 "[ . 1 . 2]" 2
1355 1 53 LYS H 1 54 HIS QB . . 4.510 4.393 4.230 4.466 . 0 0 "[ . 1 . 2]" 2
1356 1 53 LYS H 1 56 GLU QB . . 5.150 4.613 4.481 4.770 . 0 0 "[ . 1 . 2]" 2
1357 1 53 LYS HA 1 56 GLU QB . . 3.460 2.471 2.291 2.963 . 0 0 "[ . 1 . 2]" 2
1358 1 53 LYS HA 1 56 GLU QG . . 3.570 2.635 2.257 2.984 . 0 0 "[ . 1 . 2]" 2
1359 1 54 HIS QB 1 55 MET H . . 3.560 2.391 2.248 2.575 . 0 0 "[ . 1 . 2]" 2
1360 1 55 MET H 1 55 MET QB . . 3.380 2.464 2.283 2.594 . 0 0 "[ . 1 . 2]" 2
1361 1 55 MET H 1 55 MET QG . . 3.480 2.245 2.004 2.584 . 0 0 "[ . 1 . 2]" 2
1362 1 55 MET H 1 56 GLU QG . . 5.140 4.641 4.169 4.802 . 0 0 "[ . 1 . 2]" 2
1363 1 55 MET QB 1 58 CYS HB3 . . 4.350 3.772 3.455 3.974 . 0 0 "[ . 1 . 2]" 2
1364 1 55 MET QG 1 56 GLU H . . 3.590 2.272 1.967 2.845 . 0 0 "[ . 1 . 2]" 2
1365 1 55 MET QG 1 58 CYS H . . 5.340 5.028 4.562 5.370 0.030 2 0 "[ . 1 . 2]" 2
1366 1 56 GLU H 1 56 GLU QB . . 3.090 2.212 2.138 2.309 . 0 0 "[ . 1 . 2]" 2
1367 1 56 GLU H 1 56 GLU QG . . 3.310 2.758 2.502 2.983 . 0 0 "[ . 1 . 2]" 2
1368 1 56 GLU HA 1 56 GLU QG . . 3.130 2.408 2.102 3.323 0.193 16 0 "[ . 1 . 2]" 2
1369 1 56 GLU QB 1 57 ASN QD . . 4.050 3.574 2.546 4.065 0.015 9 0 "[ . 1 . 2]" 2
1370 1 56 GLU QB 1 58 CYS H . . 5.340 4.510 4.249 5.100 . 0 0 "[ . 1 . 2]" 2
1371 1 56 GLU QG 1 57 ASN H . . 4.870 4.147 2.009 4.573 . 0 0 "[ . 1 . 2]" 2
1372 1 57 ASN H 1 57 ASN QD . . 4.290 3.092 1.895 4.295 0.005 7 0 "[ . 1 . 2]" 2
1373 1 57 ASN QB 1 57 ASN QD . . 3.010 2.143 2.063 2.424 . 0 0 "[ . 1 . 2]" 2
1374 1 57 ASN QB 1 58 CYS H . . 3.980 3.222 2.562 3.743 . 0 0 "[ . 1 . 2]" 2
1375 1 59 LYS H 1 59 LYS QB . . 3.150 2.439 2.147 3.005 . 0 0 "[ . 1 . 2]" 2
1376 1 59 LYS QB 1 59 LYS QE . . 4.430 3.094 2.051 3.739 . 0 0 "[ . 1 . 2]" 2
1377 1 59 LYS QB 1 60 GLN H . . 3.870 3.447 2.059 3.979 0.109 4 0 "[ . 1 . 2]" 2
1378 1 60 GLN H 1 60 GLN QB . . 3.240 2.481 2.116 2.874 . 0 0 "[ . 1 . 2]" 2
1379 1 60 GLN QB 1 61 GLU H . . 4.440 3.006 1.945 4.054 . 0 0 "[ . 1 . 2]" 2
1380 1 61 GLU H 1 61 GLU QB . . 3.520 2.505 2.225 2.872 . 0 0 "[ . 1 . 2]" 2
1381 1 61 GLU H 1 61 GLU QG . . 4.130 3.429 2.278 4.184 0.054 15 0 "[ . 1 . 2]" 2
1382 1 61 GLU HA 1 61 GLU QG . . 3.420 2.693 2.154 3.335 . 0 0 "[ . 1 . 2]" 2
1383 1 61 GLU QB 1 63 PHE QE . . 4.570 4.399 3.695 4.579 0.009 17 0 "[ . 1 . 2]" 2
1384 1 61 GLU QG 1 62 MET H . . 3.900 2.891 1.906 3.829 . 0 0 "[ . 1 . 2]" 2
1385 1 62 MET ME 1 62 MET QG . . 3.320 2.286 1.971 2.473 . 0 0 "[ . 1 . 2]" 2
1386 1 62 MET QG 1 63 PHE H . . 4.130 3.626 2.221 4.108 . 0 0 "[ . 1 . 2]" 2
1387 1 63 PHE H 1 63 PHE QB . . 3.380 2.788 2.579 2.927 . 0 0 "[ . 1 . 2]" 2
1388 1 63 PHE QB 1 64 THR H . . 3.690 2.535 2.138 3.639 . 0 0 "[ . 1 . 2]" 2
1389 1 63 PHE QB 1 72 LEU H . . 4.370 4.134 3.576 4.375 0.005 20 0 "[ . 1 . 2]" 2
1390 1 63 PHE QB 1 72 LEU HB2 . . 5.290 4.887 4.164 5.303 0.013 20 0 "[ . 1 . 2]" 2
1391 1 63 PHE QB 1 78 MET ME . . 3.390 2.092 1.930 2.396 . 0 0 "[ . 1 . 2]" 2
1392 1 63 PHE QD 1 75 LEU QB . . 4.700 3.461 2.799 4.086 . 0 0 "[ . 1 . 2]" 2
1393 1 63 PHE QE 1 75 LEU QB . . 3.930 2.446 1.990 3.263 . 0 0 "[ . 1 . 2]" 2
1394 1 63 PHE HZ 1 75 LEU QB . . 4.390 3.649 2.935 4.366 . 0 0 "[ . 1 . 2]" 2
1395 1 64 THR MG 1 69 GLY QA . . 3.280 2.641 2.240 2.838 . 0 0 "[ . 1 . 2]" 2
1396 1 65 CYS HB3 1 69 GLY QA . . 4.840 3.259 2.869 3.499 . 0 0 "[ . 1 . 2]" 2
1397 1 66 HIS QB 1 67 HIS H . . 4.170 2.716 2.576 3.464 . 0 0 "[ . 1 . 2]" 2
1398 1 67 HIS H 1 67 HIS QB . . 3.210 2.394 2.248 2.619 . 0 0 "[ . 1 . 2]" 2
1399 1 67 HIS QB 1 68 CYS H . . 3.270 2.193 1.984 2.502 . 0 0 "[ . 1 . 2]" 2
1400 1 67 HIS QB 1 69 GLY H . . 4.720 4.111 3.954 4.288 . 0 0 "[ . 1 . 2]" 2
1401 1 67 HIS QB 1 86 HIS HE1 . . 4.550 3.000 2.527 3.422 . 0 0 "[ . 1 . 2]" 2
1402 1 68 CYS H 1 68 CYS QB . . 3.600 2.761 2.653 2.914 . 0 0 "[ . 1 . 2]" 2
1403 1 68 CYS H 1 69 GLY QA . . 4.280 4.073 3.868 4.215 . 0 0 "[ . 1 . 2]" 2
1404 1 68 CYS QB 1 69 GLY H . . 3.940 3.334 3.277 3.421 . 0 0 "[ . 1 . 2]" 2
1405 1 68 CYS QB 1 86 HIS HE1 . . 3.210 2.008 1.977 2.070 . 0 0 "[ . 1 . 2]" 2
1406 1 70 LYS H 1 70 LYS QD . . 5.320 4.427 4.199 4.609 . 0 0 "[ . 1 . 2]" 2
1407 1 70 LYS HA 1 70 LYS QG . . 3.380 2.281 2.131 2.362 . 0 0 "[ . 1 . 2]" 2
1408 1 70 LYS HB2 1 70 LYS QD . . 3.650 2.614 2.173 3.225 . 0 0 "[ . 1 . 2]" 2
1409 1 70 LYS HB3 1 78 MET QG . . 5.340 3.800 3.460 4.344 . 0 0 "[ . 1 . 2]" 2
1410 1 70 LYS QE 1 70 LYS QG . . 3.210 2.258 2.089 2.498 . 0 0 "[ . 1 . 2]" 2
1411 1 70 LYS QG 1 71 GLN H . . 3.510 2.148 1.883 2.731 . 0 0 "[ . 1 . 2]" 2
1412 1 70 LYS QG 1 72 LEU MD1 . . 4.650 3.566 2.825 4.147 . 0 0 "[ . 1 . 2]" 2
1413 1 70 LYS QG 1 72 LEU MD2 . . 4.860 3.683 3.190 4.492 . 0 0 "[ . 1 . 2]" 2
1414 1 70 LYS QD 1 71 GLN H . . 4.370 3.646 1.985 4.292 . 0 0 "[ . 1 . 2]" 2
1415 1 70 LYS QD 1 72 LEU MD1 . . 4.090 2.081 1.791 2.480 . 0 0 "[ . 1 . 2]" 2
1416 1 70 LYS QD 1 81 HIS HB3 . . 4.490 3.228 2.222 4.395 . 0 0 "[ . 1 . 2]" 2
1417 1 70 LYS QD 1 81 HIS HE1 . . 4.060 3.930 3.000 4.099 0.039 13 0 "[ . 1 . 2]" 2
1418 1 70 LYS QE 1 72 LEU MD1 . . 4.100 2.697 1.906 3.772 . 0 0 "[ . 1 . 2]" 2
1419 1 70 LYS QE 1 72 LEU MD2 . . 4.350 2.868 1.893 4.200 . 0 0 "[ . 1 . 2]" 2
1420 1 72 LEU H 1 78 MET QB . . 4.600 3.691 3.489 3.807 . 0 0 "[ . 1 . 2]" 2
1421 1 72 LEU MD1 1 78 MET QB . . 3.900 2.158 1.942 2.551 . 0 0 "[ . 1 . 2]" 2
1422 1 72 LEU MD1 1 78 MET QG . . 3.940 3.276 2.759 3.687 . 0 0 "[ . 1 . 2]" 2
1423 1 73 ARG H 1 73 ARG QG . . 4.350 2.908 1.934 4.029 . 0 0 "[ . 1 . 2]" 2
1424 1 73 ARG QB 1 73 ARG QD . . 3.380 2.203 2.030 2.544 . 0 0 "[ . 1 . 2]" 2
1425 1 73 ARG QB 1 74 SER H . . 3.670 2.708 2.201 3.661 . 0 0 "[ . 1 . 2]" 2
1426 1 73 ARG QG 1 74 SER H . . 5.270 3.365 1.900 4.437 . 0 0 "[ . 1 . 2]" 2
1427 1 74 SER H 1 74 SER QB . . 3.530 2.459 2.183 2.731 . 0 0 "[ . 1 . 2]" 2
1428 1 74 SER QB 1 75 LEU H . . 3.530 3.274 2.164 3.534 0.004 15 0 "[ . 1 . 2]" 2
1429 1 74 SER QB 1 76 ALA H . . 4.260 3.408 3.033 4.226 . 0 0 "[ . 1 . 2]" 2
1430 1 74 SER QB 1 76 ALA MB . . 4.160 3.285 2.920 4.096 . 0 0 "[ . 1 . 2]" 2
1431 1 74 SER QB 1 77 GLY H . . 3.930 2.920 2.642 3.349 . 0 0 "[ . 1 . 2]" 2
1432 1 75 LEU H 1 75 LEU QB . . 3.080 2.231 2.167 2.334 . 0 0 "[ . 1 . 2]" 2
1433 1 75 LEU HA 1 78 MET QB . . 3.760 2.642 2.435 2.963 . 0 0 "[ . 1 . 2]" 2
1434 1 75 LEU QB 1 75 LEU MD1 . . 3.240 2.216 2.040 2.342 . 0 0 "[ . 1 . 2]" 2
1435 1 75 LEU QB 1 75 LEU MD2 . . 3.130 2.062 2.003 2.098 . 0 0 "[ . 1 . 2]" 2
1436 1 75 LEU QB 1 76 ALA H . . 3.960 2.386 2.002 2.538 . 0 0 "[ . 1 . 2]" 2
1437 1 75 LEU MD1 1 78 MET QB . . 4.090 3.331 2.778 3.712 . 0 0 "[ . 1 . 2]" 2
1438 1 75 LEU MD1 1 79 LYS QG . . 4.410 2.828 1.898 3.793 . 0 0 "[ . 1 . 2]" 2
1439 1 76 ALA HA 1 79 LYS QG . . 4.220 3.658 2.361 4.205 . 0 0 "[ . 1 . 2]" 2
1440 1 78 MET H 1 78 MET QG . . 3.960 3.892 3.818 3.945 . 0 0 "[ . 1 . 2]" 2
1441 1 78 MET QB 1 79 LYS H . . 3.490 2.360 2.187 2.610 . 0 0 "[ . 1 . 2]" 2
1442 1 78 MET ME 1 78 MET QG . . 3.280 2.244 2.137 2.394 . 0 0 "[ . 1 . 2]" 2
1443 1 78 MET QG 1 79 LYS H . . 4.040 2.666 2.363 3.110 . 0 0 "[ . 1 . 2]" 2
1444 1 78 MET QG 1 82 VAL MG2 . . 3.470 3.186 3.052 3.327 . 0 0 "[ . 1 . 2]" 2
1445 1 79 LYS H 1 79 LYS QG . . 3.290 2.402 1.908 2.720 . 0 0 "[ . 1 . 2]" 2
1446 1 79 LYS QG 1 80 TYR H . . 4.790 4.333 4.033 4.472 . 0 0 "[ . 1 . 2]" 2
1447 1 81 HIS HA 1 85 ASN QD . . 3.680 3.017 2.500 3.468 . 0 0 "[ . 1 . 2]" 2
1448 1 82 VAL HA 1 86 HIS QB . . 3.920 2.998 2.283 3.349 . 0 0 "[ . 1 . 2]" 2
1449 1 82 VAL MG1 1 86 HIS QB . . 3.380 2.057 1.765 2.499 . 0 0 "[ . 1 . 2]" 2
1450 1 83 MET H 1 83 MET QG . . 3.540 2.614 1.891 3.390 . 0 0 "[ . 1 . 2]" 2
1451 1 83 MET HA 1 83 MET QG . . 3.450 2.404 2.223 3.337 . 0 0 "[ . 1 . 2]" 2
1452 1 83 MET HA 1 87 ASN QB . . 3.900 3.648 2.098 3.935 0.035 18 0 "[ . 1 . 2]" 2
1453 1 83 MET QG 1 84 ALA H . . 4.620 4.335 2.211 4.644 0.024 10 0 "[ . 1 . 2]" 2
1454 1 84 ALA MB 1 85 ASN QD . . 3.640 2.810 2.247 3.500 . 0 0 "[ . 1 . 2]" 2
1455 1 85 ASN H 1 85 ASN QB . . 3.200 2.467 2.245 2.886 . 0 0 "[ . 1 . 2]" 2
1456 1 85 ASN H 1 85 ASN QD . . 3.770 2.490 1.864 3.066 . 0 0 "[ . 1 . 2]" 2
1457 1 85 ASN HA 1 85 ASN QD . . 4.500 3.559 1.947 4.086 . 0 0 "[ . 1 . 2]" 2
1458 1 85 ASN QB 1 86 HIS H . . 3.620 2.439 2.098 2.957 . 0 0 "[ . 1 . 2]" 2
1459 1 85 ASN QB 1 86 HIS HD2 . . 4.840 4.364 3.633 4.863 0.023 9 0 "[ . 1 . 2]" 2
1460 1 86 HIS H 1 86 HIS QB . . 3.450 2.607 2.500 2.867 . 0 0 "[ . 1 . 2]" 2
1461 1 89 LEU H 1 89 LEU QB . . 3.220 2.542 2.217 3.119 . 0 0 "[ . 1 . 2]" 2
1462 1 89 LEU H 1 89 LEU QD . . 4.480 2.772 1.859 3.925 . 0 0 "[ . 1 . 2]" 2
1463 1 89 LEU HA 1 89 LEU QD . . 3.630 2.847 1.954 3.397 . 0 0 "[ . 1 . 2]" 2
1464 1 89 LEU HA 1 90 PRO QD . . 2.990 1.984 1.874 2.089 . 0 0 "[ . 1 . 2]" 2
1465 1 89 LEU QB 1 90 PRO QD . . 3.240 2.473 2.000 3.323 0.083 9 0 "[ . 1 . 2]" 2
1466 1 89 LEU QD 1 90 PRO QD . . 3.850 2.997 1.974 3.735 . 0 0 "[ . 1 . 2]" 2
1467 1 92 GLY QA 1 93 PRO QD . . 2.900 1.915 1.836 2.033 . 0 0 "[ . 1 . 2]" 2
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