NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509698 |
2yt5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yt5
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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 HIS 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 26 CYS H 1 32 GLY H . 3.500 . 4.898 4.774 5.049 . 0 0 "[ . 1 . 2]" 1
2 1 15 GLU HA 1 17 SER H . 4.500 . 5.894 5.611 6.357 . 0 0 "[ . 1 . 2]" 1
3 1 40 PRO HG2 1 41 HIS H . 3.000 . 4.443 4.191 4.692 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 6.620
_Distance_constraint_stats_list.Viol_max 0.015
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0029
_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 9 CYS 0.061 0.008 20 0 "[ . 1 . 2]"
1 12 CYS 0.029 0.006 19 0 "[ . 1 . 2]"
1 26 CYS 0.059 0.007 15 0 "[ . 1 . 2]"
1 29 CYS 0.113 0.013 16 0 "[ . 1 . 2]"
1 34 HIS 0.055 0.008 20 0 "[ . 1 . 2]"
1 37 CYS 0.022 0.005 20 0 "[ . 1 . 2]"
1 55 CYS 0.050 0.008 15 0 "[ . 1 . 2]"
1 58 CYS 0.102 0.015 16 0 "[ . 1 . 2]"
2 1 ZN 0.038 0.008 20 0 "[ . 1 . 2]"
3 1 ZN 0.133 0.015 16 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 CYS SG 2 1 ZN ZN . 2.190 2.390 2.379 2.306 2.396 0.006 20 0 "[ . 1 . 2]" 2
2 1 9 CYS CB 2 1 ZN ZN . 3.250 3.510 3.271 3.242 3.320 0.008 20 0 "[ . 1 . 2]" 2
3 1 12 CYS SG 2 1 ZN ZN . 2.190 2.390 2.217 2.185 2.293 0.005 19 0 "[ . 1 . 2]" 2
4 1 12 CYS CB 2 1 ZN ZN . 3.250 3.510 3.503 3.474 3.512 0.002 19 0 "[ . 1 . 2]" 2
5 1 34 HIS ND1 2 1 ZN ZN . . 2.100 2.092 2.043 2.101 0.001 19 0 "[ . 1 . 2]" 2
6 1 37 CYS SG 2 1 ZN ZN . 2.190 2.390 2.259 2.191 2.322 . 0 0 "[ . 1 . 2]" 2
7 1 37 CYS CB 2 1 ZN ZN . 3.250 3.510 3.399 3.245 3.509 0.005 20 0 "[ . 1 . 2]" 2
8 1 9 CYS SG 1 12 CYS SG . 3.560 3.960 3.841 3.676 3.942 . 0 0 "[ . 1 . 2]" 2
9 1 9 CYS SG 1 34 HIS ND1 . 3.320 3.720 3.326 3.312 3.356 0.008 20 0 "[ . 1 . 2]" 2
10 1 9 CYS SG 1 37 CYS SG . 3.560 3.960 3.938 3.852 3.963 0.003 20 0 "[ . 1 . 2]" 2
11 1 12 CYS SG 1 34 HIS ND1 . 3.320 3.720 3.337 3.314 3.503 0.006 19 0 "[ . 1 . 2]" 2
12 1 12 CYS SG 1 37 CYS SG . 3.560 3.960 3.727 3.568 3.844 . 0 0 "[ . 1 . 2]" 2
13 1 34 HIS ND1 1 37 CYS SG . 3.320 3.720 3.666 3.471 3.722 0.002 7 0 "[ . 1 . 2]" 2
14 1 26 CYS SG 3 1 ZN ZN . 2.190 2.390 2.280 2.190 2.396 0.006 15 0 "[ . 1 . 2]" 2
15 1 26 CYS CB 3 1 ZN ZN . 3.250 3.510 3.461 3.243 3.515 0.007 15 0 "[ . 1 . 2]" 2
16 1 29 CYS SG 3 1 ZN ZN . 2.190 2.390 2.349 2.188 2.394 0.004 14 0 "[ . 1 . 2]" 2
17 1 29 CYS CB 3 1 ZN ZN . 3.250 3.510 3.467 3.309 3.516 0.006 15 0 "[ . 1 . 2]" 2
18 1 55 CYS SG 3 1 ZN ZN . 2.190 2.390 2.287 2.185 2.387 0.005 15 0 "[ . 1 . 2]" 2
19 1 55 CYS CB 3 1 ZN ZN . 3.250 3.510 3.479 3.336 3.518 0.008 15 0 "[ . 1 . 2]" 2
20 1 58 CYS SG 3 1 ZN ZN . 2.190 2.390 2.283 2.189 2.385 0.001 16 0 "[ . 1 . 2]" 2
21 1 58 CYS CB 3 1 ZN ZN . 3.250 3.510 3.490 3.329 3.525 0.015 16 0 "[ . 1 . 2]" 2
22 1 26 CYS SG 1 29 CYS SG . 3.560 3.960 3.871 3.554 3.962 0.006 15 0 "[ . 1 . 2]" 2
23 1 26 CYS SG 1 55 CYS SG . 3.560 3.960 3.932 3.826 3.965 0.005 15 0 "[ . 1 . 2]" 2
24 1 26 CYS SG 1 58 CYS SG . 3.560 3.960 3.803 3.585 3.961 0.001 12 0 "[ . 1 . 2]" 2
25 1 29 CYS SG 1 55 CYS SG . 3.560 3.960 3.607 3.556 3.797 0.004 16 0 "[ . 1 . 2]" 2
26 1 29 CYS SG 1 58 CYS SG . 3.560 3.960 3.605 3.547 3.963 0.013 16 0 "[ . 1 . 2]" 2
27 1 55 CYS SG 1 58 CYS SG . 3.560 3.960 3.601 3.557 3.734 0.003 15 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1086
_Distance_constraint_stats_list.Viol_count 427
_Distance_constraint_stats_list.Viol_total 81.384
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.008 0.005 14 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.384 0.064 19 0 "[ . 1 . 2]"
1 9 CYS 0.081 0.043 17 0 "[ . 1 . 2]"
1 10 THR 0.059 0.009 7 0 "[ . 1 . 2]"
1 11 ILE 0.555 0.078 18 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLN 0.292 0.064 19 0 "[ . 1 . 2]"
1 14 GLU 0.299 0.069 19 0 "[ . 1 . 2]"
1 15 GLU 0.269 0.030 20 0 "[ . 1 . 2]"
1 16 TYR 0.234 0.027 16 0 "[ . 1 . 2]"
1 17 SER 0.009 0.005 19 0 "[ . 1 . 2]"
1 18 GLU 0.141 0.027 16 0 "[ . 1 . 2]"
1 19 ALA 0.006 0.004 7 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.575 0.047 7 0 "[ . 1 . 2]"
1 22 GLU 0.421 0.047 7 0 "[ . 1 . 2]"
1 23 MET 0.046 0.013 2 0 "[ . 1 . 2]"
1 24 VAL 0.074 0.019 7 0 "[ . 1 . 2]"
1 25 ILE 0.124 0.021 15 0 "[ . 1 . 2]"
1 26 CYS 0.006 0.006 15 0 "[ . 1 . 2]"
1 27 ASP 0.031 0.005 15 0 "[ . 1 . 2]"
1 28 LYS 0.179 0.036 16 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.057 0.021 15 0 "[ . 1 . 2]"
1 31 GLN 0.181 0.019 4 0 "[ . 1 . 2]"
1 32 GLY 0.167 0.019 4 0 "[ . 1 . 2]"
1 33 TYR 0.540 0.078 18 0 "[ . 1 . 2]"
1 34 HIS 0.270 0.069 19 0 "[ . 1 . 2]"
1 35 GLN 0.126 0.023 13 0 "[ . 1 . 2]"
1 36 LEU 0.118 0.032 15 0 "[ . 1 . 2]"
1 37 CYS 0.027 0.014 14 0 "[ . 1 . 2]"
1 38 HIS 0.186 0.028 20 0 "[ . 1 . 2]"
1 39 THR 0.040 0.013 13 0 "[ . 1 . 2]"
1 40 PRO 0.016 0.009 12 0 "[ . 1 . 2]"
1 41 HIS 0.064 0.021 20 0 "[ . 1 . 2]"
1 42 ILE 0.135 0.021 20 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.032 0.016 6 0 "[ . 1 . 2]"
1 45 SER 0.009 0.007 5 0 "[ . 1 . 2]"
1 46 VAL 0.055 0.036 17 0 "[ . 1 . 2]"
1 47 ILE 0.132 0.026 14 0 "[ . 1 . 2]"
1 48 ASP 0.095 0.026 14 0 "[ . 1 . 2]"
1 49 SER 0.028 0.008 17 0 "[ . 1 . 2]"
1 50 ASP 0.027 0.016 12 0 "[ . 1 . 2]"
1 51 GLU 0.149 0.036 17 0 "[ . 1 . 2]"
1 52 LYS 0.060 0.011 5 0 "[ . 1 . 2]"
1 53 TRP 0.273 0.074 17 0 "[ . 1 . 2]"
1 54 LEU 0.340 0.074 17 0 "[ . 1 . 2]"
1 55 CYS 0.166 0.025 16 0 "[ . 1 . 2]"
1 56 ARG 0.080 0.027 13 0 "[ . 1 . 2]"
1 57 GLN 0.067 0.027 13 0 "[ . 1 . 2]"
1 58 CYS 0.177 0.036 16 0 "[ . 1 . 2]"
1 59 VAL 0.120 0.031 7 0 "[ . 1 . 2]"
1 60 PHE 0.116 0.031 7 0 "[ . 1 . 2]"
1 61 ALA 0.003 0.003 16 0 "[ . 1 . 2]"
1 62 THR 0.024 0.014 4 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 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 65 LYS HA 1 66 ARG H . . 3.310 2.383 2.144 2.817 . 0 0 "[ . 1 . 2]" 3
2 1 52 LYS H 1 52 LYS HG2 . . 4.110 3.113 1.952 4.120 0.010 13 0 "[ . 1 . 2]" 3
3 1 62 THR H 1 62 THR MG . . 4.370 2.254 1.894 2.726 . 0 0 "[ . 1 . 2]" 3
4 1 61 ALA MB 1 62 THR H . . 4.410 3.488 2.098 3.720 . 0 0 "[ . 1 . 2]" 3
5 1 58 CYS HA 1 61 ALA H . . 4.050 3.479 3.060 3.865 . 0 0 "[ . 1 . 2]" 3
6 1 61 ALA H 1 61 ALA MB . . 3.070 2.202 2.060 2.418 . 0 0 "[ . 1 . 2]" 3
7 1 57 GLN HA 1 60 PHE H . . 4.380 4.215 3.883 4.389 0.009 2 0 "[ . 1 . 2]" 3
8 1 56 ARG HA 1 60 PHE H . . 4.360 3.485 3.061 3.927 . 0 0 "[ . 1 . 2]" 3
9 1 60 PHE H 1 60 PHE HB3 . . 3.300 2.777 2.623 2.907 . 0 0 "[ . 1 . 2]" 3
10 1 59 VAL MG2 1 60 PHE H . . 4.080 3.811 3.667 4.017 . 0 0 "[ . 1 . 2]" 3
11 1 59 VAL MG1 1 60 PHE H . . 3.890 3.330 2.950 3.792 . 0 0 "[ . 1 . 2]" 3
12 1 59 VAL H 1 60 PHE H . . 3.420 2.916 2.714 3.019 . 0 0 "[ . 1 . 2]" 3
13 1 56 ARG HA 1 59 VAL H . . 3.790 3.432 3.119 3.789 . 0 0 "[ . 1 . 2]" 3
14 1 58 CYS HB2 1 59 VAL H . . 3.680 2.380 2.095 2.713 . 0 0 "[ . 1 . 2]" 3
15 1 58 CYS HB3 1 59 VAL H . . 4.230 3.319 2.997 3.637 . 0 0 "[ . 1 . 2]" 3
16 1 59 VAL H 1 59 VAL HB . . 3.090 2.603 2.521 2.671 . 0 0 "[ . 1 . 2]" 3
17 1 54 LEU HB3 1 59 VAL H . . 4.200 3.174 2.735 3.638 . 0 0 "[ . 1 . 2]" 3
18 1 54 LEU HB2 1 59 VAL H . . 4.600 4.074 3.544 4.595 . 0 0 "[ . 1 . 2]" 3
19 1 58 CYS H 1 58 CYS HB3 . . 3.630 3.595 3.571 3.637 0.007 16 0 "[ . 1 . 2]" 3
20 1 55 CYS HB3 1 58 CYS H . . 5.300 4.715 4.580 4.895 . 0 0 "[ . 1 . 2]" 3
21 1 57 GLN HB2 1 58 CYS H . . 3.540 2.674 2.416 2.876 . 0 0 "[ . 1 . 2]" 3
22 1 58 CYS H 1 59 VAL MG2 . . 4.430 4.041 3.794 4.229 . 0 0 "[ . 1 . 2]" 3
23 1 58 CYS H 1 59 VAL HB . . 4.780 4.655 4.506 4.778 . 0 0 "[ . 1 . 2]" 3
24 1 58 CYS H 1 58 CYS HB2 . . 3.070 2.391 2.330 2.465 . 0 0 "[ . 1 . 2]" 3
25 1 54 LEU HB3 1 58 CYS H . . 4.730 4.328 4.149 4.576 . 0 0 "[ . 1 . 2]" 3
26 1 56 ARG H 1 57 GLN H . . 3.750 3.061 2.714 3.249 . 0 0 "[ . 1 . 2]" 3
27 1 57 GLN H 1 58 CYS HB2 . . 5.290 5.131 4.961 5.280 . 0 0 "[ . 1 . 2]" 3
28 1 57 GLN H 1 57 GLN HG2 . . 3.900 3.201 2.003 3.871 . 0 0 "[ . 1 . 2]" 3
29 1 57 GLN H 1 57 GLN HB2 . . 3.050 2.491 2.282 2.727 . 0 0 "[ . 1 . 2]" 3
30 1 56 ARG HB2 1 57 GLN H . . 4.340 3.711 3.480 3.948 . 0 0 "[ . 1 . 2]" 3
31 1 56 ARG QG 1 57 GLN H . . 3.830 3.167 2.863 3.675 . 0 0 "[ . 1 . 2]" 3
32 1 56 ARG H 1 56 ARG QG . . 4.150 3.973 3.862 4.039 . 0 0 "[ . 1 . 2]" 3
33 1 55 CYS H 1 58 CYS HB2 . . 3.720 2.889 2.570 3.334 . 0 0 "[ . 1 . 2]" 3
34 1 54 LEU HB2 1 55 CYS H . . 4.290 4.062 3.910 4.243 . 0 0 "[ . 1 . 2]" 3
35 1 54 LEU HG 1 55 CYS H . . 5.040 4.742 4.499 4.954 . 0 0 "[ . 1 . 2]" 3
36 1 54 LEU HB3 1 55 CYS H . . 3.740 2.875 2.638 3.168 . 0 0 "[ . 1 . 2]" 3
37 1 55 CYS H 1 59 VAL MG2 . . 4.780 3.923 3.395 4.133 . 0 0 "[ . 1 . 2]" 3
38 1 55 CYS H 1 58 CYS H . . 4.590 4.003 3.634 4.321 . 0 0 "[ . 1 . 2]" 3
39 1 53 TRP HE3 1 54 LEU H . . 4.690 4.195 3.768 4.576 . 0 0 "[ . 1 . 2]" 3
40 1 53 TRP HB3 1 54 LEU H . . 4.450 3.945 3.670 4.176 . 0 0 "[ . 1 . 2]" 3
41 1 53 TRP HB2 1 54 LEU H . . 4.180 3.845 3.741 3.974 . 0 0 "[ . 1 . 2]" 3
42 1 54 LEU H 1 54 LEU HB2 . . 3.180 2.553 2.377 2.750 . 0 0 "[ . 1 . 2]" 3
43 1 54 LEU H 1 54 LEU HB3 . . 3.920 3.708 3.615 3.811 . 0 0 "[ . 1 . 2]" 3
44 1 54 LEU H 1 54 LEU MD1 . . 4.620 4.000 3.853 4.101 . 0 0 "[ . 1 . 2]" 3
45 1 54 LEU H 1 59 VAL MG2 . . 4.530 3.530 3.135 3.912 . 0 0 "[ . 1 . 2]" 3
46 1 54 LEU H 1 55 CYS H . . 4.810 4.423 4.325 4.535 . 0 0 "[ . 1 . 2]" 3
47 1 53 TRP H 1 53 TRP HB3 . . 3.290 2.522 2.353 2.704 . 0 0 "[ . 1 . 2]" 3
48 1 27 ASP HB2 1 53 TRP H . . 3.990 3.486 2.803 3.841 . 0 0 "[ . 1 . 2]" 3
49 1 27 ASP HB3 1 53 TRP H . . 5.500 4.717 3.650 5.373 . 0 0 "[ . 1 . 2]" 3
50 1 52 LYS HB2 1 53 TRP H . . 4.400 3.754 2.422 4.380 . 0 0 "[ . 1 . 2]" 3
51 1 50 ASP HA 1 51 GLU H . . 3.460 2.976 2.717 3.466 0.006 16 0 "[ . 1 . 2]" 3
52 1 50 ASP HB3 1 51 GLU H . . 4.810 4.357 2.956 4.659 . 0 0 "[ . 1 . 2]" 3
53 1 51 GLU H 1 51 GLU HG2 . . 4.160 3.860 2.940 4.162 0.002 5 0 "[ . 1 . 2]" 3
54 1 51 GLU H 1 51 GLU HB2 . . 3.560 2.258 2.199 2.304 . 0 0 "[ . 1 . 2]" 3
55 1 49 SER H 1 50 ASP H . . 4.760 4.601 4.562 4.639 . 0 0 "[ . 1 . 2]" 3
56 1 48 ASP H 1 49 SER H . . 3.360 3.011 2.844 3.165 . 0 0 "[ . 1 . 2]" 3
57 1 49 SER H 1 49 SER HB2 . . 3.660 2.437 2.190 3.644 . 0 0 "[ . 1 . 2]" 3
58 1 48 ASP HB3 1 49 SER H . . 4.320 2.722 2.225 3.290 . 0 0 "[ . 1 . 2]" 3
59 1 48 ASP HB2 1 49 SER H . . 4.010 3.285 2.655 3.820 . 0 0 "[ . 1 . 2]" 3
60 1 47 ILE MG 1 49 SER H . . 5.500 4.811 4.647 4.954 . 0 0 "[ . 1 . 2]" 3
61 1 47 ILE H 1 48 ASP H . . 3.380 2.901 2.761 3.022 . 0 0 "[ . 1 . 2]" 3
62 1 46 VAL HB 1 47 ILE H . . 3.480 2.409 2.316 2.558 . 0 0 "[ . 1 . 2]" 3
63 1 47 ILE H 1 47 ILE HG13 . . 3.330 2.062 1.994 2.136 . 0 0 "[ . 1 . 2]" 3
64 1 46 VAL MG1 1 47 ILE H . . 4.030 3.285 3.177 3.464 . 0 0 "[ . 1 . 2]" 3
65 1 46 VAL H 1 47 ILE H . . 3.170 2.978 2.777 3.127 . 0 0 "[ . 1 . 2]" 3
66 1 43 ASP QB 1 46 VAL H . . 3.920 3.060 2.900 3.188 . 0 0 "[ . 1 . 2]" 3
67 1 46 VAL H 1 46 VAL HB . . 3.010 2.635 2.546 2.711 . 0 0 "[ . 1 . 2]" 3
68 1 46 VAL H 1 47 ILE HG13 . . 4.880 4.640 4.455 4.794 . 0 0 "[ . 1 . 2]" 3
69 1 45 SER H 1 46 VAL H . . 3.490 3.147 2.946 3.269 . 0 0 "[ . 1 . 2]" 3
70 1 43 ASP HA 1 45 SER H . . 4.530 4.246 4.044 4.416 . 0 0 "[ . 1 . 2]" 3
71 1 45 SER H 1 45 SER QB . . 3.030 2.423 2.150 2.715 . 0 0 "[ . 1 . 2]" 3
72 1 43 ASP QB 1 45 SER H . . 3.580 3.000 2.749 3.558 . 0 0 "[ . 1 . 2]" 3
73 1 35 GLN HE21 1 44 SER H . . 4.300 3.504 3.050 3.997 . 0 0 "[ . 1 . 2]" 3
74 1 35 GLN HE22 1 44 SER H . . 4.230 3.001 2.418 3.498 . 0 0 "[ . 1 . 2]" 3
75 1 43 ASP HA 1 44 SER H . . 2.820 2.225 2.143 2.351 . 0 0 "[ . 1 . 2]" 3
76 1 43 ASP QB 1 44 SER H . . 3.690 3.062 2.535 3.535 . 0 0 "[ . 1 . 2]" 3
77 1 41 HIS HA 1 42 ILE H . . 2.930 2.155 2.140 2.259 . 0 0 "[ . 1 . 2]" 3
78 1 41 HIS HB3 1 42 ILE H . . 3.630 3.394 2.821 3.611 . 0 0 "[ . 1 . 2]" 3
79 1 35 GLN HG2 1 42 ILE H . . 4.520 4.014 3.677 4.326 . 0 0 "[ . 1 . 2]" 3
80 1 42 ILE H 1 42 ILE HG13 . . 3.190 2.050 1.908 2.357 . 0 0 "[ . 1 . 2]" 3
81 1 42 ILE H 1 42 ILE HB . . 3.400 2.571 2.471 2.647 . 0 0 "[ . 1 . 2]" 3
82 1 42 ILE H 1 42 ILE HG12 . . 3.750 3.500 3.354 3.706 . 0 0 "[ . 1 . 2]" 3
83 1 42 ILE H 1 42 ILE MG . . 4.350 3.766 3.755 3.779 . 0 0 "[ . 1 . 2]" 3
84 1 42 ILE H 1 42 ILE MD . . 4.170 3.299 3.163 3.546 . 0 0 "[ . 1 . 2]" 3
85 1 38 HIS H 1 39 THR H . . 4.710 4.608 4.500 4.648 . 0 0 "[ . 1 . 2]" 3
86 1 39 THR H 1 56 ARG QD . . 5.020 4.401 3.736 4.943 . 0 0 "[ . 1 . 2]" 3
87 1 33 TYR HB3 1 39 THR H . . 5.410 5.268 4.884 5.419 0.009 2 0 "[ . 1 . 2]" 3
88 1 39 THR H 1 39 THR MG . . 4.140 3.914 3.846 4.001 . 0 0 "[ . 1 . 2]" 3
89 1 36 LEU H 1 38 HIS H . . 4.610 4.312 4.037 4.494 . 0 0 "[ . 1 . 2]" 3
90 1 37 CYS H 1 38 HIS H . . 2.930 2.410 1.980 2.565 . 0 0 "[ . 1 . 2]" 3
91 1 34 HIS HB2 1 38 HIS H . . 4.560 3.849 3.496 4.238 . 0 0 "[ . 1 . 2]" 3
92 1 38 HIS H 1 42 ILE HG13 . . 4.680 4.508 4.119 4.681 0.001 9 0 "[ . 1 . 2]" 3
93 1 38 HIS H 1 42 ILE MD . . 4.600 3.841 3.469 4.046 . 0 0 "[ . 1 . 2]" 3
94 1 36 LEU H 1 37 CYS H . . 3.380 2.319 2.160 2.505 . 0 0 "[ . 1 . 2]" 3
95 1 34 HIS H 1 37 CYS H . . 4.630 4.231 3.944 4.516 . 0 0 "[ . 1 . 2]" 3
96 1 34 HIS HB3 1 37 CYS H . . 3.650 3.099 2.859 3.654 0.004 16 0 "[ . 1 . 2]" 3
97 1 34 HIS HB2 1 37 CYS H . . 3.470 2.672 2.479 3.243 . 0 0 "[ . 1 . 2]" 3
98 1 37 CYS H 1 37 CYS HB2 . . 3.260 2.386 2.305 2.487 . 0 0 "[ . 1 . 2]" 3
99 1 36 LEU HB2 1 37 CYS H . . 4.350 3.280 3.070 3.909 . 0 0 "[ . 1 . 2]" 3
100 1 36 LEU HB3 1 37 CYS H . . 4.520 4.047 3.894 4.436 . 0 0 "[ . 1 . 2]" 3
101 1 21 ASN HA 1 36 LEU H . . 4.530 3.280 2.722 3.690 . 0 0 "[ . 1 . 2]" 3
102 1 36 LEU H 1 37 CYS HB2 . . 4.780 4.322 3.949 4.547 . 0 0 "[ . 1 . 2]" 3
103 1 35 GLN HB2 1 36 LEU H . . 3.620 2.919 2.559 3.155 . 0 0 "[ . 1 . 2]" 3
104 1 36 LEU H 1 36 LEU HB2 . . 3.300 2.396 2.313 2.572 . 0 0 "[ . 1 . 2]" 3
105 1 36 LEU H 1 36 LEU HG . . 3.200 2.719 2.566 2.970 . 0 0 "[ . 1 . 2]" 3
106 1 22 GLU H 1 35 GLN H . . 4.420 3.762 3.450 4.175 . 0 0 "[ . 1 . 2]" 3
107 1 23 MET HA 1 35 GLN H . . 4.140 3.817 3.502 4.114 . 0 0 "[ . 1 . 2]" 3
108 1 34 HIS HB2 1 35 GLN H . . 4.520 3.857 3.551 4.117 . 0 0 "[ . 1 . 2]" 3
109 1 35 GLN H 1 35 GLN HG3 . . 3.130 2.383 2.167 2.543 . 0 0 "[ . 1 . 2]" 3
110 1 35 GLN H 1 35 GLN HB2 . . 3.530 2.423 2.382 2.543 . 0 0 "[ . 1 . 2]" 3
111 1 35 GLN H 1 35 GLN HG2 . . 3.720 3.437 3.179 3.585 . 0 0 "[ . 1 . 2]" 3
112 1 24 VAL MG2 1 35 GLN H . . 4.420 4.300 4.039 4.425 0.005 4 0 "[ . 1 . 2]" 3
113 1 34 HIS H 1 38 HIS H . . 4.470 3.962 3.621 4.468 . 0 0 "[ . 1 . 2]" 3
114 1 34 HIS H 1 34 HIS HB3 . . 3.680 3.584 3.572 3.595 . 0 0 "[ . 1 . 2]" 3
115 1 34 HIS H 1 34 HIS HB2 . . 3.350 2.430 2.358 2.500 . 0 0 "[ . 1 . 2]" 3
116 1 34 HIS H 1 37 CYS HB2 . . 3.380 2.627 2.399 2.758 . 0 0 "[ . 1 . 2]" 3
117 1 33 TYR HB2 1 34 HIS H . . 4.580 4.352 4.192 4.425 . 0 0 "[ . 1 . 2]" 3
118 1 9 CYS HB2 1 34 HIS H . . 4.190 4.026 3.855 4.187 . 0 0 "[ . 1 . 2]" 3
119 1 24 VAL H 1 33 TYR H . . 3.520 2.357 2.038 2.776 . 0 0 "[ . 1 . 2]" 3
120 1 33 TYR H 1 33 TYR QD . . 3.730 2.772 2.509 3.069 . 0 0 "[ . 1 . 2]" 3
121 1 32 GLY HA2 1 33 TYR H . . 3.060 2.265 2.201 2.320 . 0 0 "[ . 1 . 2]" 3
122 1 25 ILE HA 1 33 TYR H . . 4.230 3.647 3.407 3.818 . 0 0 "[ . 1 . 2]" 3
123 1 23 MET HG3 1 33 TYR H . . 4.860 3.080 2.729 3.616 . 0 0 "[ . 1 . 2]" 3
124 1 24 VAL HB 1 33 TYR H . . 4.660 3.501 3.297 3.679 . 0 0 "[ . 1 . 2]" 3
125 1 31 GLN HA 1 32 GLY H . . 2.880 2.353 2.224 2.475 . 0 0 "[ . 1 . 2]" 3
126 1 31 GLN HB2 1 32 GLY H . . 4.100 3.778 3.573 4.105 0.005 7 0 "[ . 1 . 2]" 3
127 1 30 GLY H 1 31 GLN H . . 3.550 2.154 1.936 2.583 . 0 0 "[ . 1 . 2]" 3
128 1 29 CYS HB2 1 31 GLN H . . 4.410 2.589 2.390 2.994 . 0 0 "[ . 1 . 2]" 3
129 1 26 CYS HB2 1 31 GLN H . . 4.590 4.129 3.515 4.589 . 0 0 "[ . 1 . 2]" 3
130 1 29 CYS HB3 1 31 GLN H . . 4.410 3.493 2.828 4.296 . 0 0 "[ . 1 . 2]" 3
131 1 31 GLN H 1 31 GLN HB2 . . 3.160 2.444 2.267 2.599 . 0 0 "[ . 1 . 2]" 3
132 1 31 GLN H 1 31 GLN HB3 . . 3.770 3.630 3.546 3.724 . 0 0 "[ . 1 . 2]" 3
133 1 25 ILE MG 1 30 GLY H . . 4.060 3.751 3.512 4.081 0.021 15 0 "[ . 1 . 2]" 3
134 1 28 LYS HB3 1 30 GLY H . . 5.010 4.716 4.334 4.848 . 0 0 "[ . 1 . 2]" 3
135 1 27 ASP HA 1 30 GLY H . . 5.470 5.032 4.750 5.218 . 0 0 "[ . 1 . 2]" 3
136 1 28 LYS HA 1 30 GLY H . . 5.500 5.366 5.094 5.496 . 0 0 "[ . 1 . 2]" 3
137 1 29 CYS H 1 30 GLY H . . 3.160 2.942 2.579 3.122 . 0 0 "[ . 1 . 2]" 3
138 1 28 LYS H 1 30 GLY H . . 4.430 4.318 3.942 4.440 0.010 16 0 "[ . 1 . 2]" 3
139 1 28 LYS H 1 29 CYS H . . 3.170 2.941 2.871 3.004 . 0 0 "[ . 1 . 2]" 3
140 1 26 CYS HB2 1 29 CYS H . . 4.580 4.375 4.244 4.538 . 0 0 "[ . 1 . 2]" 3
141 1 28 LYS HB3 1 29 CYS H . . 3.130 1.927 1.899 1.973 . 0 0 "[ . 1 . 2]" 3
142 1 28 LYS HB2 1 29 CYS H . . 3.640 3.485 3.408 3.525 . 0 0 "[ . 1 . 2]" 3
143 1 28 LYS QG 1 29 CYS H . . 4.040 2.835 2.689 3.208 . 0 0 "[ . 1 . 2]" 3
144 1 28 LYS H 1 54 LEU HA . . 4.560 3.829 3.612 4.015 . 0 0 "[ . 1 . 2]" 3
145 1 26 CYS HA 1 28 LYS H . . 4.590 4.066 3.868 4.254 . 0 0 "[ . 1 . 2]" 3
146 1 26 CYS HB3 1 28 LYS H . . 4.730 4.166 3.841 4.427 . 0 0 "[ . 1 . 2]" 3
147 1 27 ASP HB2 1 28 LYS H . . 4.080 3.854 3.692 4.022 . 0 0 "[ . 1 . 2]" 3
148 1 28 LYS H 1 28 LYS HB3 . . 3.130 2.496 2.440 2.653 . 0 0 "[ . 1 . 2]" 3
149 1 28 LYS H 1 28 LYS HB2 . . 3.280 2.595 2.440 2.677 . 0 0 "[ . 1 . 2]" 3
150 1 28 LYS H 1 28 LYS QG . . 4.380 3.976 3.964 3.988 . 0 0 "[ . 1 . 2]" 3
151 1 27 ASP H 1 53 TRP HE3 . . 4.460 3.783 3.504 4.052 . 0 0 "[ . 1 . 2]" 3
152 1 25 ILE HB 1 26 CYS H . . 4.630 4.001 3.905 4.104 . 0 0 "[ . 1 . 2]" 3
153 1 25 ILE H 1 25 ILE HG12 . . 3.560 2.401 2.268 2.545 . 0 0 "[ . 1 . 2]" 3
154 1 23 MET HG3 1 24 VAL H . . 3.730 2.524 1.964 2.969 . 0 0 "[ . 1 . 2]" 3
155 1 23 MET HB3 1 24 VAL H . . 4.620 3.965 3.644 4.332 . 0 0 "[ . 1 . 2]" 3
156 1 24 VAL H 1 24 VAL HB . . 3.330 2.774 2.603 2.893 . 0 0 "[ . 1 . 2]" 3
157 1 17 SER HB3 1 23 MET H . . 4.240 3.499 2.376 4.244 0.004 8 0 "[ . 1 . 2]" 3
158 1 22 GLU HG3 1 23 MET H . . 4.410 4.287 4.183 4.385 . 0 0 "[ . 1 . 2]" 3
159 1 22 GLU HG2 1 23 MET H . . 3.300 3.220 3.143 3.273 . 0 0 "[ . 1 . 2]" 3
160 1 23 MET H 1 23 MET HB3 . . 3.570 2.525 2.431 2.639 . 0 0 "[ . 1 . 2]" 3
161 1 21 ASN HA 1 22 GLU H . . 3.120 2.668 2.566 2.772 . 0 0 "[ . 1 . 2]" 3
162 1 22 GLU H 1 35 GLN HG3 . . 3.530 2.913 2.446 3.304 . 0 0 "[ . 1 . 2]" 3
163 1 22 GLU H 1 35 GLN HB2 . . 4.000 3.141 2.597 3.611 . 0 0 "[ . 1 . 2]" 3
164 1 22 GLU H 1 22 GLU HG3 . . 3.500 3.057 2.922 3.215 . 0 0 "[ . 1 . 2]" 3
165 1 22 GLU H 1 22 GLU HB2 . . 3.450 2.175 2.158 2.194 . 0 0 "[ . 1 . 2]" 3
166 1 22 GLU H 1 47 ILE MD . . 4.780 3.795 3.259 4.196 . 0 0 "[ . 1 . 2]" 3
167 1 21 ASN H 1 22 GLU H . . 4.040 3.322 3.171 3.467 . 0 0 "[ . 1 . 2]" 3
168 1 19 ALA HA 1 21 ASN H . . 3.010 2.271 2.245 2.312 . 0 0 "[ . 1 . 2]" 3
169 1 21 ASN H 1 21 ASN HB2 . . 3.770 2.559 2.410 2.677 . 0 0 "[ . 1 . 2]" 3
170 1 21 ASN H 1 35 GLN HB2 . . 5.500 4.762 4.480 4.963 . 0 0 "[ . 1 . 2]" 3
171 1 21 ASN H 1 22 GLU HB2 . . 5.170 5.190 5.158 5.217 0.047 7 0 "[ . 1 . 2]" 3
172 1 21 ASN H 1 21 ASN HB3 . . 3.770 2.702 2.602 2.839 . 0 0 "[ . 1 . 2]" 3
173 1 20 PRO HG2 1 21 ASN H . . 4.780 3.271 3.215 3.310 . 0 0 "[ . 1 . 2]" 3
174 1 19 ALA MB 1 21 ASN H . . 4.140 3.715 3.689 3.754 . 0 0 "[ . 1 . 2]" 3
175 1 18 GLU QB 1 19 ALA H . . 3.970 3.800 3.183 3.941 . 0 0 "[ . 1 . 2]" 3
176 1 18 GLU QG 1 19 ALA H . . 3.960 3.199 2.920 3.670 . 0 0 "[ . 1 . 2]" 3
177 1 18 GLU H 1 21 ASN H . . 4.780 4.600 4.365 4.799 0.019 16 0 "[ . 1 . 2]" 3
178 1 16 TYR QD 1 18 GLU H . . 4.410 3.352 2.798 4.341 . 0 0 "[ . 1 . 2]" 3
179 1 18 GLU H 1 22 GLU HA . . 3.630 2.938 2.314 3.495 . 0 0 "[ . 1 . 2]" 3
180 1 18 GLU H 1 18 GLU QG . . 4.190 3.993 2.726 4.212 0.022 14 0 "[ . 1 . 2]" 3
181 1 18 GLU H 1 18 GLU QB . . 3.350 2.725 2.513 3.032 . 0 0 "[ . 1 . 2]" 3
182 1 17 SER H 1 17 SER HB3 . . 4.040 3.275 2.632 3.946 . 0 0 "[ . 1 . 2]" 3
183 1 17 SER H 1 17 SER HB2 . . 4.040 3.701 3.001 3.971 . 0 0 "[ . 1 . 2]" 3
184 1 16 TYR HB2 1 17 SER H . . 3.560 3.341 2.893 3.557 . 0 0 "[ . 1 . 2]" 3
185 1 17 SER H 1 18 GLU H . . 4.720 4.086 3.852 4.382 . 0 0 "[ . 1 . 2]" 3
186 1 15 GLU H 1 16 TYR H . . 3.070 2.414 2.292 2.600 . 0 0 "[ . 1 . 2]" 3
187 1 16 TYR H 1 34 HIS HE2 . . 4.670 4.498 3.460 4.677 0.007 7 0 "[ . 1 . 2]" 3
188 1 14 GLU HA 1 16 TYR H . . 4.360 3.825 3.630 3.960 . 0 0 "[ . 1 . 2]" 3
189 1 16 TYR H 1 16 TYR HB3 . . 2.960 2.188 2.153 2.268 . 0 0 "[ . 1 . 2]" 3
190 1 14 GLU HG3 1 16 TYR H . . 5.310 5.263 5.129 5.332 0.022 10 0 "[ . 1 . 2]" 3
191 1 14 GLU QB 1 16 TYR H . . 3.380 2.834 2.424 3.010 . 0 0 "[ . 1 . 2]" 3
192 1 15 GLU HB2 1 16 TYR H . . 4.080 3.040 2.811 3.790 . 0 0 "[ . 1 . 2]" 3
193 1 14 GLU HA 1 15 GLU H . . 3.010 2.175 2.156 2.201 . 0 0 "[ . 1 . 2]" 3
194 1 14 GLU QB 1 15 GLU H . . 3.170 3.086 2.969 3.176 0.006 8 0 "[ . 1 . 2]" 3
195 1 15 GLU H 1 15 GLU HB3 . . 3.620 3.530 3.491 3.616 . 0 0 "[ . 1 . 2]" 3
196 1 8 VAL MG1 1 15 GLU H . . 5.450 2.684 2.581 2.941 . 0 0 "[ . 1 . 2]" 3
197 1 8 VAL MG2 1 15 GLU H . . 5.450 4.345 4.013 4.836 . 0 0 "[ . 1 . 2]" 3
198 1 14 GLU H 1 14 GLU QB . . 3.000 2.500 2.405 2.696 . 0 0 "[ . 1 . 2]" 3
199 1 11 ILE H 1 13 GLN H . . 4.330 2.995 2.851 3.191 . 0 0 "[ . 1 . 2]" 3
200 1 13 GLN H 1 14 GLU H . . 3.330 2.784 2.704 2.869 . 0 0 "[ . 1 . 2]" 3
201 1 9 CYS HB3 1 13 GLN H . . 3.640 1.988 1.896 2.153 . 0 0 "[ . 1 . 2]" 3
202 1 13 GLN H 1 13 GLN QB . . 3.670 3.251 3.166 3.417 . 0 0 "[ . 1 . 2]" 3
203 1 11 ILE H 1 12 CYS H . . 3.150 2.338 2.193 2.443 . 0 0 "[ . 1 . 2]" 3
204 1 12 CYS H 1 13 GLN HA . . 4.570 4.268 4.170 4.429 . 0 0 "[ . 1 . 2]" 3
205 1 9 CYS HB3 1 12 CYS H . . 3.850 2.825 2.729 2.950 . 0 0 "[ . 1 . 2]" 3
206 1 11 ILE HB 1 12 CYS H . . 3.060 2.377 2.177 2.515 . 0 0 "[ . 1 . 2]" 3
207 1 11 ILE QG 1 12 CYS H . . 4.450 4.264 4.176 4.320 . 0 0 "[ . 1 . 2]" 3
208 1 11 ILE MD 1 12 CYS H . . 4.240 3.427 3.242 3.697 . 0 0 "[ . 1 . 2]" 3
209 1 12 CYS H 1 13 GLN H . . 3.220 2.029 1.925 2.197 . 0 0 "[ . 1 . 2]" 3
210 1 11 ILE H 1 33 TYR QD . . 4.810 4.658 4.273 4.888 0.078 18 0 "[ . 1 . 2]" 3
211 1 10 THR HB 1 11 ILE H . . 3.990 3.329 3.076 3.488 . 0 0 "[ . 1 . 2]" 3
212 1 11 ILE H 1 11 ILE HB . . 3.110 2.540 2.500 2.614 . 0 0 "[ . 1 . 2]" 3
213 1 11 ILE H 1 11 ILE QG . . 3.240 3.188 3.041 3.270 0.030 20 0 "[ . 1 . 2]" 3
214 1 11 ILE H 1 11 ILE MD . . 3.500 2.038 1.864 2.345 . 0 0 "[ . 1 . 2]" 3
215 1 10 THR H 1 33 TYR HA . . 3.980 3.280 2.920 3.451 . 0 0 "[ . 1 . 2]" 3
216 1 10 THR H 1 10 THR HG1 . . 3.840 3.108 2.513 3.807 . 0 0 "[ . 1 . 2]" 3
217 1 9 CYS HB3 1 10 THR H . . 4.660 3.317 3.164 3.584 . 0 0 "[ . 1 . 2]" 3
218 1 9 CYS HB2 1 10 THR H . . 4.160 3.884 3.838 3.993 . 0 0 "[ . 1 . 2]" 3
219 1 10 THR H 1 11 ILE MD . . 3.520 2.516 2.349 2.629 . 0 0 "[ . 1 . 2]" 3
220 1 8 VAL HA 1 9 CYS H . . 2.880 2.421 2.338 2.492 . 0 0 "[ . 1 . 2]" 3
221 1 9 CYS H 1 15 GLU HA . . 4.040 3.628 3.516 3.690 . 0 0 "[ . 1 . 2]" 3
222 1 9 CYS H 1 14 GLU H . . 4.210 2.767 2.623 2.954 . 0 0 "[ . 1 . 2]" 3
223 1 9 CYS H 1 10 THR H . . 5.160 4.629 4.611 4.643 . 0 0 "[ . 1 . 2]" 3
224 1 9 CYS H 1 15 GLU H . . 5.500 4.700 4.639 4.805 . 0 0 "[ . 1 . 2]" 3
225 1 7 GLY H 1 8 VAL H . . 4.190 3.035 2.266 4.107 . 0 0 "[ . 1 . 2]" 3
226 1 7 GLY QA 1 8 VAL H . . 2.850 2.530 2.240 2.735 . 0 0 "[ . 1 . 2]" 3
227 1 8 VAL H 1 8 VAL HB . . 3.790 2.905 2.776 3.043 . 0 0 "[ . 1 . 2]" 3
228 1 53 TRP H 1 54 LEU H . . 4.750 4.489 4.355 4.568 . 0 0 "[ . 1 . 2]" 3
229 1 52 LYS H 1 52 LYS HB3 . . 3.910 3.300 2.369 3.664 . 0 0 "[ . 1 . 2]" 3
230 1 51 GLU HG2 1 52 LYS H . . 4.560 3.850 3.346 4.551 . 0 0 "[ . 1 . 2]" 3
231 1 59 VAL HB 1 60 PHE H . . 3.270 2.510 2.124 3.111 . 0 0 "[ . 1 . 2]" 3
232 1 50 ASP HB2 1 51 GLU H . . 4.810 4.179 3.125 4.581 . 0 0 "[ . 1 . 2]" 3
233 1 15 GLU HB3 1 16 TYR H . . 4.190 3.669 3.434 4.210 0.020 5 0 "[ . 1 . 2]" 3
234 1 16 TYR H 1 23 MET ME . . 4.610 4.494 4.025 4.623 0.013 2 0 "[ . 1 . 2]" 3
235 1 44 SER HA 1 47 ILE H . . 4.020 3.415 3.192 3.550 . 0 0 "[ . 1 . 2]" 3
236 1 51 GLU HG3 1 52 LYS H . . 4.560 4.437 3.688 4.571 0.011 5 0 "[ . 1 . 2]" 3
237 1 53 TRP H 1 53 TRP HE3 . . 4.750 4.091 3.832 4.298 . 0 0 "[ . 1 . 2]" 3
238 1 42 ILE MG 1 53 TRP HE1 . . 3.850 2.812 2.341 3.656 . 0 0 "[ . 1 . 2]" 3
239 1 42 ILE HG12 1 53 TRP HE1 . . 3.840 2.570 2.082 2.984 . 0 0 "[ . 1 . 2]" 3
240 1 46 VAL MG1 1 53 TRP HE1 . . 4.600 4.141 3.829 4.502 . 0 0 "[ . 1 . 2]" 3
241 1 42 ILE HG13 1 53 TRP HE1 . . 4.580 4.255 3.810 4.584 0.004 13 0 "[ . 1 . 2]" 3
242 1 50 ASP H 1 51 GLU H . . 3.420 2.842 2.066 3.320 . 0 0 "[ . 1 . 2]" 3
243 1 10 THR MG 1 31 GLN HE22 . . 4.690 2.917 1.976 4.519 . 0 0 "[ . 1 . 2]" 3
244 1 26 CYS HB2 1 30 GLY H . . 4.370 3.663 3.625 3.761 . 0 0 "[ . 1 . 2]" 3
245 1 27 ASP H 1 28 LYS H . . 3.830 2.520 2.240 2.806 . 0 0 "[ . 1 . 2]" 3
246 1 21 ASN HD22 1 36 LEU HG . . 5.310 4.000 3.509 4.229 . 0 0 "[ . 1 . 2]" 3
247 1 21 ASN HD22 1 36 LEU H . . 4.710 3.983 2.888 4.486 . 0 0 "[ . 1 . 2]" 3
248 1 13 GLN H 1 13 GLN HA . . 2.730 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 3
249 1 8 VAL HB 1 13 GLN H . . 5.500 5.475 5.389 5.564 0.064 19 0 "[ . 1 . 2]" 3
250 1 17 SER HB3 1 18 GLU H . . 4.900 4.253 3.475 4.478 . 0 0 "[ . 1 . 2]" 3
251 1 19 ALA H 1 20 PRO HA . . 4.780 4.706 4.662 4.728 . 0 0 "[ . 1 . 2]" 3
252 1 21 ASN HD21 1 34 HIS HB3 . . 5.000 4.382 2.048 5.000 0.000 9 0 "[ . 1 . 2]" 3
253 1 19 ALA MB 1 22 GLU H . . 5.020 3.442 3.122 3.785 . 0 0 "[ . 1 . 2]" 3
254 1 24 VAL H 1 33 TYR HB3 . . 5.500 5.280 4.978 5.506 0.006 2 0 "[ . 1 . 2]" 3
255 1 24 VAL H 1 32 GLY HA2 . . 4.890 3.925 3.629 4.444 . 0 0 "[ . 1 . 2]" 3
256 1 23 MET HG2 1 33 TYR H . . 4.860 3.758 2.757 4.725 . 0 0 "[ . 1 . 2]" 3
257 1 25 ILE HA 1 32 GLY H . . 5.030 4.252 3.987 4.541 . 0 0 "[ . 1 . 2]" 3
258 1 64 THR HA 1 64 THR MG . . 3.510 2.388 2.137 3.207 . 0 0 "[ . 1 . 2]" 3
259 1 63 THR HA 1 63 THR MG . . 3.270 2.400 2.200 3.192 . 0 0 "[ . 1 . 2]" 3
260 1 62 THR HA 1 62 THR MG . . 3.340 3.144 2.227 3.203 . 0 0 "[ . 1 . 2]" 3
261 1 61 ALA MB 1 62 THR HA . . 4.660 4.120 3.624 4.284 . 0 0 "[ . 1 . 2]" 3
262 1 60 PHE QD 1 61 ALA MB . . 4.830 3.872 3.298 4.448 . 0 0 "[ . 1 . 2]" 3
263 1 59 VAL MG1 1 60 PHE HA . . 3.990 3.438 3.180 3.743 . 0 0 "[ . 1 . 2]" 3
264 1 60 PHE HA 1 62 THR MG . . 4.700 3.802 3.317 4.714 0.014 4 0 "[ . 1 . 2]" 3
265 1 60 PHE HA 1 60 PHE QD . . 3.560 2.909 2.524 3.095 . 0 0 "[ . 1 . 2]" 3
266 1 59 VAL H 1 60 PHE HA . . 5.500 5.458 5.327 5.531 0.031 7 0 "[ . 1 . 2]" 3
267 1 59 VAL HA 1 59 VAL MG2 . . 2.770 2.348 2.214 2.440 . 0 0 "[ . 1 . 2]" 3
268 1 54 LEU HB3 1 59 VAL HA . . 4.130 4.049 3.631 4.148 0.018 14 0 "[ . 1 . 2]" 3
269 1 59 VAL HA 1 62 THR MG . . 4.220 3.447 1.771 4.217 . 0 0 "[ . 1 . 2]" 3
270 1 56 ARG HA 1 59 VAL HB . . 3.300 2.367 2.139 2.700 . 0 0 "[ . 1 . 2]" 3
271 1 59 VAL HA 1 59 VAL MG1 . . 3.180 2.344 2.304 2.468 . 0 0 "[ . 1 . 2]" 3
272 1 59 VAL MG1 1 60 PHE QD . . 4.970 4.845 4.552 4.971 0.001 7 0 "[ . 1 . 2]" 3
273 1 59 VAL H 1 59 VAL MG1 . . 3.790 3.768 3.761 3.776 . 0 0 "[ . 1 . 2]" 3
274 1 55 CYS H 1 58 CYS HB3 . . 4.890 4.337 4.024 4.779 . 0 0 "[ . 1 . 2]" 3
275 1 28 LYS QG 1 58 CYS HB3 . . 4.710 4.621 3.864 4.746 0.036 16 0 "[ . 1 . 2]" 3
276 1 54 LEU HB3 1 58 CYS HB3 . . 3.700 2.722 2.398 3.270 . 0 0 "[ . 1 . 2]" 3
277 1 54 LEU HA 1 58 CYS HB3 . . 5.090 4.746 4.558 5.016 . 0 0 "[ . 1 . 2]" 3
278 1 28 LYS HB3 1 58 CYS HB2 . . 4.380 4.194 3.704 4.362 . 0 0 "[ . 1 . 2]" 3
279 1 28 LYS HB2 1 58 CYS HB2 . . 5.280 4.790 4.212 5.019 . 0 0 "[ . 1 . 2]" 3
280 1 28 LYS QD 1 58 CYS HB2 . . 5.500 4.128 3.557 4.373 . 0 0 "[ . 1 . 2]" 3
281 1 54 LEU HG 1 58 CYS HB2 . . 5.090 4.484 3.840 5.074 . 0 0 "[ . 1 . 2]" 3
282 1 54 LEU HB3 1 58 CYS HB2 . . 3.510 2.138 1.997 2.599 . 0 0 "[ . 1 . 2]" 3
283 1 58 CYS HB2 1 59 VAL MG2 . . 4.230 3.287 3.106 3.482 . 0 0 "[ . 1 . 2]" 3
284 1 56 ARG QG 1 57 GLN HA . . 4.260 3.412 3.141 4.082 . 0 0 "[ . 1 . 2]" 3
285 1 57 GLN H 1 57 GLN HB3 . . 3.640 3.596 3.546 3.623 . 0 0 "[ . 1 . 2]" 3
286 1 57 GLN HA 1 57 GLN HG2 . . 3.860 2.756 2.183 3.696 . 0 0 "[ . 1 . 2]" 3
287 1 56 ARG QG 1 57 GLN HG3 . . 5.500 4.627 3.429 5.504 0.004 15 0 "[ . 1 . 2]" 3
288 1 56 ARG QG 1 57 GLN HG2 . . 5.500 4.685 3.821 5.527 0.027 13 0 "[ . 1 . 2]" 3
289 1 38 HIS HE1 1 56 ARG HA . . 4.350 3.645 3.084 4.157 . 0 0 "[ . 1 . 2]" 3
290 1 56 ARG HA 1 56 ARG QD . . 4.180 3.611 2.217 4.166 . 0 0 "[ . 1 . 2]" 3
291 1 56 ARG HA 1 59 VAL MG2 . . 3.410 2.888 2.329 3.403 . 0 0 "[ . 1 . 2]" 3
292 1 56 ARG QG 1 60 PHE QD . . 4.350 3.686 3.242 4.340 . 0 0 "[ . 1 . 2]" 3
293 1 56 ARG HA 1 56 ARG QG . . 3.450 2.552 2.379 2.962 . 0 0 "[ . 1 . 2]" 3
294 1 55 CYS HA 1 56 ARG H . . 2.960 2.381 2.239 2.562 . 0 0 "[ . 1 . 2]" 3
295 1 55 CYS HA 1 57 GLN H . . 4.870 4.744 4.445 4.879 0.009 6 0 "[ . 1 . 2]" 3
296 1 38 HIS HE1 1 55 CYS HA . . 4.650 4.187 3.527 4.675 0.025 16 0 "[ . 1 . 2]" 3
297 1 53 TRP HH2 1 55 CYS HA . . 3.570 2.434 2.230 2.846 . 0 0 "[ . 1 . 2]" 3
298 1 53 TRP HZ2 1 55 CYS HA . . 3.370 2.579 2.307 2.831 . 0 0 "[ . 1 . 2]" 3
299 1 55 CYS HA 1 59 VAL MG2 . . 4.640 3.664 3.421 3.820 . 0 0 "[ . 1 . 2]" 3
300 1 54 LEU HA 1 55 CYS HB3 . . 4.580 4.420 4.328 4.520 . 0 0 "[ . 1 . 2]" 3
301 1 38 HIS HD2 1 55 CYS HB3 . . 4.440 4.052 3.443 4.449 0.009 17 0 "[ . 1 . 2]" 3
302 1 33 TYR QD 1 55 CYS HB3 . . 4.300 3.776 3.147 4.028 . 0 0 "[ . 1 . 2]" 3
303 1 55 CYS HB3 1 56 ARG H . . 4.160 3.891 3.633 4.115 . 0 0 "[ . 1 . 2]" 3
304 1 55 CYS HB2 1 56 ARG H . . 3.240 2.549 2.161 2.916 . 0 0 "[ . 1 . 2]" 3
305 1 55 CYS HB2 1 57 GLN H . . 4.020 3.541 3.113 3.777 . 0 0 "[ . 1 . 2]" 3
306 1 55 CYS H 1 55 CYS HB2 . . 3.650 3.610 3.572 3.658 0.008 20 0 "[ . 1 . 2]" 3
307 1 33 TYR QD 1 55 CYS HB2 . . 4.450 4.157 3.580 4.460 0.010 6 0 "[ . 1 . 2]" 3
308 1 33 TYR QE 1 55 CYS HB2 . . 3.960 3.758 3.191 3.963 0.003 11 0 "[ . 1 . 2]" 3
309 1 53 TRP HZ3 1 55 CYS HB2 . . 4.650 4.425 4.120 4.650 . 0 0 "[ . 1 . 2]" 3
310 1 38 HIS HD2 1 55 CYS HB2 . . 3.940 3.286 2.887 3.591 . 0 0 "[ . 1 . 2]" 3
311 1 26 CYS HB2 1 54 LEU HA . . 4.530 3.801 3.551 4.021 . 0 0 "[ . 1 . 2]" 3
312 1 54 LEU HB3 1 59 VAL MG2 . . 3.550 2.636 2.352 2.921 . 0 0 "[ . 1 . 2]" 3
313 1 54 LEU HB2 1 59 VAL MG2 . . 3.030 2.389 1.941 2.824 . 0 0 "[ . 1 . 2]" 3
314 1 54 LEU HB2 1 58 CYS HB2 . . 4.350 3.812 3.606 4.315 . 0 0 "[ . 1 . 2]" 3
315 1 54 LEU HB2 1 58 CYS HB3 . . 4.860 4.195 3.794 4.871 0.011 20 0 "[ . 1 . 2]" 3
316 1 54 LEU HB2 1 59 VAL HA . . 4.530 4.017 3.680 4.225 . 0 0 "[ . 1 . 2]" 3
317 1 53 TRP HA 1 54 LEU HB2 . . 4.670 4.309 4.203 4.394 . 0 0 "[ . 1 . 2]" 3
318 1 54 LEU H 1 54 LEU MD2 . . 4.620 3.494 2.299 4.493 . 0 0 "[ . 1 . 2]" 3
319 1 27 ASP HB3 1 54 LEU MD2 . . 3.950 2.653 2.007 3.247 . 0 0 "[ . 1 . 2]" 3
320 1 52 LYS HA 1 53 TRP HB3 . . 4.680 4.428 4.264 4.556 . 0 0 "[ . 1 . 2]" 3
321 1 52 LYS HA 1 53 TRP H . . 2.730 2.214 2.140 2.456 . 0 0 "[ . 1 . 2]" 3
322 1 52 LYS H 1 52 LYS HB2 . . 3.910 2.806 2.287 3.707 . 0 0 "[ . 1 . 2]" 3
323 1 52 LYS HB3 1 53 TRP H . . 4.400 3.464 2.524 4.179 . 0 0 "[ . 1 . 2]" 3
324 1 52 LYS HA 1 52 LYS HD2 . . 4.480 3.902 2.905 4.474 . 0 0 "[ . 1 . 2]" 3
325 1 52 LYS HA 1 52 LYS HD3 . . 4.480 3.482 2.193 4.480 0.000 15 0 "[ . 1 . 2]" 3
326 1 28 LYS QD 1 29 CYS H . . 5.090 4.170 3.999 4.312 . 0 0 "[ . 1 . 2]" 3
327 1 51 GLU HA 1 51 GLU HG2 . . 3.760 2.638 2.258 3.584 . 0 0 "[ . 1 . 2]" 3
328 1 51 GLU HA 1 52 LYS H . . 2.710 2.373 2.161 2.644 . 0 0 "[ . 1 . 2]" 3
329 1 51 GLU H 1 51 GLU HG3 . . 4.160 3.270 2.697 4.152 . 0 0 "[ . 1 . 2]" 3
330 1 51 GLU HA 1 51 GLU HG3 . . 3.760 2.891 2.306 3.655 . 0 0 "[ . 1 . 2]" 3
331 1 49 SER HA 1 51 GLU H . . 4.470 4.114 3.958 4.299 . 0 0 "[ . 1 . 2]" 3
332 1 49 SER HA 1 50 ASP H . . 3.210 2.356 2.196 2.548 . 0 0 "[ . 1 . 2]" 3
333 1 49 SER HB2 1 51 GLU H . . 4.140 3.776 3.202 4.148 0.008 17 0 "[ . 1 . 2]" 3
334 1 49 SER H 1 49 SER HB3 . . 3.660 3.135 2.397 3.602 . 0 0 "[ . 1 . 2]" 3
335 1 49 SER HB3 1 51 GLU H . . 4.140 2.746 2.360 4.132 . 0 0 "[ . 1 . 2]" 3
336 1 49 SER HB3 1 50 ASP H . . 4.310 3.078 2.121 4.046 . 0 0 "[ . 1 . 2]" 3
337 1 48 ASP H 1 48 ASP HB2 . . 3.460 2.291 2.177 2.437 . 0 0 "[ . 1 . 2]" 3
338 1 45 SER QB 1 48 ASP HB2 . . 5.500 4.921 4.496 5.295 . 0 0 "[ . 1 . 2]" 3
339 1 48 ASP H 1 48 ASP HB3 . . 3.910 3.142 2.676 3.559 . 0 0 "[ . 1 . 2]" 3
340 1 47 ILE MG 1 48 ASP HB3 . . 5.270 5.229 5.173 5.277 0.007 6 0 "[ . 1 . 2]" 3
341 1 47 ILE HB 1 48 ASP H . . 3.440 2.193 2.062 2.377 . 0 0 "[ . 1 . 2]" 3
342 1 47 ILE H 1 47 ILE HB . . 2.970 2.547 2.516 2.582 . 0 0 "[ . 1 . 2]" 3
343 1 44 SER HA 1 47 ILE HB . . 4.000 3.116 2.740 3.327 . 0 0 "[ . 1 . 2]" 3
344 1 47 ILE HB 1 47 ILE MD . . 3.510 2.299 2.226 2.392 . 0 0 "[ . 1 . 2]" 3
345 1 24 VAL MG2 1 47 ILE HB . . 4.830 4.442 4.152 4.661 . 0 0 "[ . 1 . 2]" 3
346 1 47 ILE MG 1 48 ASP H . . 3.790 3.031 2.858 3.244 . 0 0 "[ . 1 . 2]" 3
347 1 47 ILE H 1 47 ILE MG . . 4.050 3.763 3.761 3.765 . 0 0 "[ . 1 . 2]" 3
348 1 47 ILE MG 1 48 ASP HB2 . . 4.660 4.581 4.318 4.664 0.004 12 0 "[ . 1 . 2]" 3
349 1 46 VAL HA 1 46 VAL MG1 . . 3.120 2.411 2.304 2.470 . 0 0 "[ . 1 . 2]" 3
350 1 42 ILE MG 1 46 VAL HA . . 5.430 5.293 5.128 5.421 . 0 0 "[ . 1 . 2]" 3
351 1 46 VAL HA 1 51 GLU H . . 5.420 5.081 4.590 5.428 0.008 16 0 "[ . 1 . 2]" 3
352 1 42 ILE MG 1 46 VAL HB . . 3.400 2.859 2.673 2.976 . 0 0 "[ . 1 . 2]" 3
353 1 46 VAL HB 1 47 ILE MD . . 4.850 4.450 4.316 4.590 . 0 0 "[ . 1 . 2]" 3
354 1 46 VAL HB 1 47 ILE HG13 . . 4.800 3.135 3.035 3.227 . 0 0 "[ . 1 . 2]" 3
355 1 46 VAL HB 1 53 TRP HB2 . . 4.730 4.351 4.117 4.578 . 0 0 "[ . 1 . 2]" 3
356 1 42 ILE MG 1 46 VAL MG1 . . 3.380 3.149 2.896 3.374 . 0 0 "[ . 1 . 2]" 3
357 1 46 VAL MG1 1 53 TRP HB2 . . 4.160 1.934 1.823 2.081 . 0 0 "[ . 1 . 2]" 3
358 1 46 VAL H 1 46 VAL MG1 . . 3.880 3.771 3.762 3.780 . 0 0 "[ . 1 . 2]" 3
359 1 43 ASP H 1 43 ASP QB . . 2.870 2.270 2.171 2.367 . 0 0 "[ . 1 . 2]" 3
360 1 43 ASP QB 1 45 SER QB . . 3.730 2.973 2.707 3.697 . 0 0 "[ . 1 . 2]" 3
361 1 42 ILE MG 1 43 ASP QB . . 4.440 3.541 3.408 3.711 . 0 0 "[ . 1 . 2]" 3
362 1 42 ILE HA 1 42 ILE MD . . 4.220 3.880 3.837 3.898 . 0 0 "[ . 1 . 2]" 3
363 1 41 HIS HA 1 42 ILE HA . . 4.780 4.375 4.332 4.404 . 0 0 "[ . 1 . 2]" 3
364 1 42 ILE HA 1 43 ASP QB . . 4.400 4.234 4.013 4.382 . 0 0 "[ . 1 . 2]" 3
365 1 42 ILE HA 1 42 ILE HG13 . . 3.700 2.820 2.742 2.895 . 0 0 "[ . 1 . 2]" 3
366 1 35 GLN HG2 1 42 ILE HB . . 3.170 2.184 2.012 2.308 . 0 0 "[ . 1 . 2]" 3
367 1 35 GLN HG3 1 42 ILE HB . . 4.030 3.746 3.419 3.983 . 0 0 "[ . 1 . 2]" 3
368 1 35 GLN H 1 42 ILE HB . . 4.810 4.686 4.509 4.812 0.002 8 0 "[ . 1 . 2]" 3
369 1 35 GLN HE21 1 42 ILE HB . . 4.490 3.551 2.962 3.992 . 0 0 "[ . 1 . 2]" 3
370 1 42 ILE HB 1 42 ILE MD . . 3.420 2.292 2.166 2.395 . 0 0 "[ . 1 . 2]" 3
371 1 38 HIS HB2 1 42 ILE HG12 . . 4.410 4.294 4.138 4.406 . 0 0 "[ . 1 . 2]" 3
372 1 42 ILE HA 1 42 ILE HG12 . . 3.500 2.698 2.561 2.791 . 0 0 "[ . 1 . 2]" 3
373 1 38 HIS HB2 1 42 ILE HG13 . . 3.440 3.196 2.976 3.337 . 0 0 "[ . 1 . 2]" 3
374 1 42 ILE MD 1 53 TRP HE1 . . 4.480 3.602 3.054 3.959 . 0 0 "[ . 1 . 2]" 3
375 1 24 VAL H 1 42 ILE MD . . 4.270 3.820 3.550 4.212 . 0 0 "[ . 1 . 2]" 3
376 1 35 GLN H 1 42 ILE MD . . 4.580 4.188 3.864 4.344 . 0 0 "[ . 1 . 2]" 3
377 1 33 TYR QD 1 42 ILE MD . . 4.490 4.091 3.865 4.326 . 0 0 "[ . 1 . 2]" 3
378 1 42 ILE MD 1 53 TRP HZ3 . . 4.650 4.188 3.958 4.507 . 0 0 "[ . 1 . 2]" 3
379 1 35 GLN HA 1 42 ILE MD . . 3.050 2.851 2.448 3.051 0.001 13 0 "[ . 1 . 2]" 3
380 1 38 HIS HB2 1 42 ILE MD . . 3.230 2.388 2.027 2.834 . 0 0 "[ . 1 . 2]" 3
381 1 33 TYR HB2 1 42 ILE MD . . 3.510 2.500 2.250 2.777 . 0 0 "[ . 1 . 2]" 3
382 1 42 ILE MD 1 55 CYS HB3 . . 5.500 5.398 5.149 5.519 0.019 6 0 "[ . 1 . 2]" 3
383 1 35 GLN HG2 1 42 ILE MD . . 4.000 3.405 3.092 3.614 . 0 0 "[ . 1 . 2]" 3
384 1 41 HIS HA 1 41 HIS HD2 . . 3.330 2.538 2.431 2.669 . 0 0 "[ . 1 . 2]" 3
385 1 38 HIS H 1 41 HIS HA . . 4.830 4.477 4.014 4.780 . 0 0 "[ . 1 . 2]" 3
386 1 41 HIS HA 1 42 ILE HG13 . . 4.100 3.750 3.590 3.858 . 0 0 "[ . 1 . 2]" 3
387 1 41 HIS HA 1 42 ILE HB . . 4.740 4.642 4.593 4.709 . 0 0 "[ . 1 . 2]" 3
388 1 36 LEU MD2 1 41 HIS HA . . 5.290 5.113 4.956 5.183 . 0 0 "[ . 1 . 2]" 3
389 1 38 HIS HE1 1 40 PRO QG . . 4.790 4.145 3.823 4.480 . 0 0 "[ . 1 . 2]" 3
390 1 39 THR MG 1 41 HIS HD2 . . 4.900 4.749 4.411 4.854 . 0 0 "[ . 1 . 2]" 3
391 1 38 HIS HB2 1 41 HIS HA . . 5.190 4.993 4.823 5.195 0.005 12 0 "[ . 1 . 2]" 3
392 1 38 HIS HB2 1 42 ILE H . . 4.640 4.303 4.154 4.655 0.015 16 0 "[ . 1 . 2]" 3
393 1 38 HIS HB3 1 42 ILE H . . 4.780 2.698 2.520 3.147 . 0 0 "[ . 1 . 2]" 3
394 1 38 HIS H 1 38 HIS HB3 . . 3.280 2.683 2.572 2.830 . 0 0 "[ . 1 . 2]" 3
395 1 38 HIS HB3 1 42 ILE HG12 . . 4.360 3.594 3.475 3.725 . 0 0 "[ . 1 . 2]" 3
396 1 38 HIS HB3 1 42 ILE MD . . 3.760 2.568 1.982 2.970 . 0 0 "[ . 1 . 2]" 3
397 1 37 CYS HB2 1 38 HIS H . . 3.850 2.403 2.193 2.728 . 0 0 "[ . 1 . 2]" 3
398 1 11 ILE QG 1 37 CYS HB2 . . 4.070 3.921 3.753 4.064 . 0 0 "[ . 1 . 2]" 3
399 1 11 ILE MD 1 37 CYS HB2 . . 3.540 2.702 2.195 2.970 . 0 0 "[ . 1 . 2]" 3
400 1 11 ILE MD 1 37 CYS HB3 . . 3.360 2.083 1.921 2.321 . 0 0 "[ . 1 . 2]" 3
401 1 11 ILE QG 1 37 CYS HB3 . . 3.520 2.453 2.234 2.789 . 0 0 "[ . 1 . 2]" 3
402 1 37 CYS HB3 1 38 HIS H . . 3.920 3.252 3.072 3.437 . 0 0 "[ . 1 . 2]" 3
403 1 37 CYS H 1 37 CYS HB3 . . 3.680 3.612 3.573 3.658 . 0 0 "[ . 1 . 2]" 3
404 1 34 HIS H 1 37 CYS HB3 . . 4.030 3.889 3.682 4.044 0.014 14 0 "[ . 1 . 2]" 3
405 1 12 CYS H 1 37 CYS HB3 . . 4.700 4.193 3.788 4.476 . 0 0 "[ . 1 . 2]" 3
406 1 36 LEU HA 1 41 HIS HA . . 4.430 4.262 4.118 4.389 . 0 0 "[ . 1 . 2]" 3
407 1 36 LEU HA 1 41 HIS HB2 . . 5.300 5.080 4.860 5.243 . 0 0 "[ . 1 . 2]" 3
408 1 35 GLN HB3 1 36 LEU HA . . 4.890 4.467 4.358 4.580 . 0 0 "[ . 1 . 2]" 3
409 1 36 LEU H 1 36 LEU HB3 . . 3.860 3.614 3.577 3.710 . 0 0 "[ . 1 . 2]" 3
410 1 21 ASN HD22 1 36 LEU HB3 . . 4.470 4.158 3.799 4.473 0.003 2 0 "[ . 1 . 2]" 3
411 1 36 LEU HB3 1 36 LEU MD1 . . 3.230 2.344 2.219 2.485 . 0 0 "[ . 1 . 2]" 3
412 1 36 LEU HB3 1 36 LEU MD2 . . 3.390 2.365 2.316 2.419 . 0 0 "[ . 1 . 2]" 3
413 1 36 LEU HB2 1 36 LEU MD1 . . 3.180 2.314 2.155 2.445 . 0 0 "[ . 1 . 2]" 3
414 1 21 ASN HD22 1 36 LEU HB2 . . 3.750 2.739 2.485 3.045 . 0 0 "[ . 1 . 2]" 3
415 1 21 ASN HD21 1 36 LEU HB2 . . 4.270 3.844 3.533 4.166 . 0 0 "[ . 1 . 2]" 3
416 1 36 LEU HA 1 36 LEU HG . . 3.760 3.078 3.010 3.217 . 0 0 "[ . 1 . 2]" 3
417 1 36 LEU MD2 1 41 HIS HB3 . . 3.770 3.732 3.547 3.774 0.004 14 0 "[ . 1 . 2]" 3
418 1 36 LEU HA 1 36 LEU MD2 . . 2.860 1.987 1.940 2.125 . 0 0 "[ . 1 . 2]" 3
419 1 36 LEU MD2 1 41 HIS HE1 . . 4.420 4.339 4.072 4.429 0.009 20 0 "[ . 1 . 2]" 3
420 1 36 LEU H 1 36 LEU MD2 . . 4.200 3.644 3.553 3.784 . 0 0 "[ . 1 . 2]" 3
421 1 35 GLN HA 1 42 ILE H . . 3.540 2.621 2.271 2.852 . 0 0 "[ . 1 . 2]" 3
422 1 35 GLN HA 1 41 HIS HA . . 4.580 3.837 3.622 4.188 . 0 0 "[ . 1 . 2]" 3
423 1 35 GLN HA 1 35 GLN HE21 . . 4.710 4.002 3.733 4.327 . 0 0 "[ . 1 . 2]" 3
424 1 35 GLN HA 1 38 HIS H . . 5.130 3.994 3.845 4.146 . 0 0 "[ . 1 . 2]" 3
425 1 35 GLN HA 1 35 GLN HG3 . . 3.600 3.113 2.991 3.225 . 0 0 "[ . 1 . 2]" 3
426 1 35 GLN HA 1 35 GLN HG2 . . 3.320 2.441 2.357 2.517 . 0 0 "[ . 1 . 2]" 3
427 1 35 GLN HA 1 42 ILE HG13 . . 3.530 3.456 3.347 3.534 0.004 5 0 "[ . 1 . 2]" 3
428 1 35 GLN HA 1 42 ILE HB . . 2.830 2.471 2.186 2.679 . 0 0 "[ . 1 . 2]" 3
429 1 35 GLN HA 1 42 ILE HG12 . . 4.800 4.754 4.593 4.813 0.013 6 0 "[ . 1 . 2]" 3
430 1 34 HIS HB3 1 35 GLN H . . 3.780 2.639 2.258 3.056 . 0 0 "[ . 1 . 2]" 3
431 1 34 HIS HB3 1 36 LEU H . . 3.910 2.550 2.370 2.840 . 0 0 "[ . 1 . 2]" 3
432 1 42 ILE HA 1 43 ASP H . . 2.810 2.215 2.151 2.302 . 0 0 "[ . 1 . 2]" 3
433 1 34 HIS HB3 1 37 CYS HB2 . . 3.780 3.627 3.503 3.784 0.004 10 0 "[ . 1 . 2]" 3
434 1 21 ASN HD22 1 34 HIS HB3 . . 4.110 3.320 1.896 3.851 . 0 0 "[ . 1 . 2]" 3
435 1 34 HIS HB2 1 36 LEU H . . 3.820 3.475 3.265 3.816 . 0 0 "[ . 1 . 2]" 3
436 1 21 ASN HD22 1 34 HIS HB2 . . 4.920 4.234 2.798 4.707 . 0 0 "[ . 1 . 2]" 3
437 1 34 HIS HB2 1 37 CYS HB2 . . 3.210 2.075 1.992 2.224 . 0 0 "[ . 1 . 2]" 3
438 1 33 TYR HA 1 34 HIS H . . 2.790 2.152 2.138 2.165 . 0 0 "[ . 1 . 2]" 3
439 1 33 TYR HA 1 33 TYR QD . . 3.670 3.139 2.994 3.207 . 0 0 "[ . 1 . 2]" 3
440 1 32 GLY HA3 1 33 TYR HA . . 4.520 4.382 4.353 4.418 . 0 0 "[ . 1 . 2]" 3
441 1 9 CYS HB2 1 33 TYR HA . . 4.790 4.649 4.286 4.790 . 0 0 "[ . 1 . 2]" 3
442 1 23 MET ME 1 33 TYR HA . . 4.820 4.579 4.293 4.821 0.001 15 0 "[ . 1 . 2]" 3
443 1 11 ILE MD 1 33 TYR HA . . 4.530 2.724 2.545 2.930 . 0 0 "[ . 1 . 2]" 3
444 1 11 ILE QG 1 33 TYR HA . . 5.110 4.879 4.690 5.116 0.006 14 0 "[ . 1 . 2]" 3
445 1 33 TYR H 1 33 TYR HB2 . . 3.590 2.854 2.735 2.961 . 0 0 "[ . 1 . 2]" 3
446 1 24 VAL H 1 33 TYR HB2 . . 4.740 4.243 3.953 4.460 . 0 0 "[ . 1 . 2]" 3
447 1 24 VAL HB 1 33 TYR HB2 . . 4.710 3.579 3.276 3.906 . 0 0 "[ . 1 . 2]" 3
448 1 24 VAL MG1 1 33 TYR HB2 . . 5.180 4.420 4.018 4.659 . 0 0 "[ . 1 . 2]" 3
449 1 24 VAL MG2 1 33 TYR HB2 . . 5.500 4.804 4.604 5.081 . 0 0 "[ . 1 . 2]" 3
450 1 33 TYR H 1 33 TYR HB3 . . 4.150 3.899 3.835 3.956 . 0 0 "[ . 1 . 2]" 3
451 1 33 TYR HB3 1 34 HIS H . . 3.910 3.655 3.354 3.765 . 0 0 "[ . 1 . 2]" 3
452 1 33 TYR HB3 1 53 TRP HH2 . . 4.560 3.836 3.527 4.359 . 0 0 "[ . 1 . 2]" 3
453 1 11 ILE MD 1 33 TYR HB3 . . 4.780 2.733 2.506 2.973 . 0 0 "[ . 1 . 2]" 3
454 1 33 TYR HB3 1 42 ILE MD . . 3.870 3.182 2.936 3.449 . 0 0 "[ . 1 . 2]" 3
455 1 33 TYR HB3 1 38 HIS HA . . 4.900 3.363 3.017 3.556 . 0 0 "[ . 1 . 2]" 3
456 1 31 GLN HA 1 32 GLY HA3 . . 4.400 4.403 4.382 4.419 0.019 4 0 "[ . 1 . 2]" 3
457 1 31 GLN HA 1 31 GLN HG3 . . 3.820 3.249 2.777 3.828 0.008 16 0 "[ . 1 . 2]" 3
458 1 10 THR HB 1 31 GLN HB2 . . 4.960 4.807 4.618 4.963 0.003 7 0 "[ . 1 . 2]" 3
459 1 10 THR MG 1 31 GLN HB2 . . 4.310 4.200 3.936 4.317 0.007 5 0 "[ . 1 . 2]" 3
460 1 31 GLN HA 1 31 GLN HG2 . . 3.820 2.493 2.268 2.836 . 0 0 "[ . 1 . 2]" 3
461 1 31 GLN H 1 31 GLN HG2 . . 3.810 3.467 2.348 3.819 0.009 2 0 "[ . 1 . 2]" 3
462 1 31 GLN H 1 31 GLN HG3 . . 3.810 2.871 2.097 3.662 . 0 0 "[ . 1 . 2]" 3
463 1 25 ILE MG 1 30 GLY HA3 . . 3.730 3.634 3.387 3.741 0.011 2 0 "[ . 1 . 2]" 3
464 1 29 CYS H 1 29 CYS HB2 . . 3.780 2.798 2.576 3.597 . 0 0 "[ . 1 . 2]" 3
465 1 29 CYS H 1 29 CYS HB3 . . 3.780 3.493 2.665 3.593 . 0 0 "[ . 1 . 2]" 3
466 1 48 ASP HB3 1 49 SER HA . . 4.470 4.124 3.985 4.412 . 0 0 "[ . 1 . 2]" 3
467 1 26 CYS HA 1 27 ASP H . . 3.100 2.216 2.141 2.296 . 0 0 "[ . 1 . 2]" 3
468 1 26 CYS HA 1 53 TRP HZ3 . . 4.070 2.736 2.426 3.060 . 0 0 "[ . 1 . 2]" 3
469 1 26 CYS HA 1 27 ASP HB2 . . 4.620 4.433 4.242 4.612 . 0 0 "[ . 1 . 2]" 3
470 1 26 CYS HA 1 27 ASP HB3 . . 5.160 4.785 4.574 5.010 . 0 0 "[ . 1 . 2]" 3
471 1 26 CYS HB2 1 55 CYS HB3 . . 3.180 2.403 2.119 2.847 . 0 0 "[ . 1 . 2]" 3
472 1 25 ILE MG 1 26 CYS HB2 . . 4.640 4.476 4.280 4.606 . 0 0 "[ . 1 . 2]" 3
473 1 26 CYS H 1 26 CYS HB2 . . 3.160 2.714 2.576 2.807 . 0 0 "[ . 1 . 2]" 3
474 1 26 CYS HB2 1 55 CYS H . . 3.540 2.978 2.627 3.274 . 0 0 "[ . 1 . 2]" 3
475 1 26 CYS HB2 1 27 ASP H . . 4.570 4.048 3.841 4.267 . 0 0 "[ . 1 . 2]" 3
476 1 26 CYS H 1 26 CYS HB3 . . 3.060 2.436 2.353 2.555 . 0 0 "[ . 1 . 2]" 3
477 1 26 CYS HB3 1 31 GLN H . . 3.380 2.752 2.152 3.336 . 0 0 "[ . 1 . 2]" 3
478 1 26 CYS HB3 1 29 CYS H . . 3.890 3.350 3.161 3.568 . 0 0 "[ . 1 . 2]" 3
479 1 26 CYS HB3 1 30 GLY H . . 3.510 1.916 1.891 2.009 . 0 0 "[ . 1 . 2]" 3
480 1 26 CYS HB3 1 33 TYR QE . . 4.240 3.267 2.988 3.486 . 0 0 "[ . 1 . 2]" 3
481 1 26 CYS HB3 1 53 TRP HZ3 . . 4.070 3.721 3.466 3.933 . 0 0 "[ . 1 . 2]" 3
482 1 26 CYS HB3 1 55 CYS HB3 . . 4.350 3.813 3.552 4.356 0.006 15 0 "[ . 1 . 2]" 3
483 1 25 ILE MG 1 26 CYS HB3 . . 4.360 3.750 3.623 3.896 . 0 0 "[ . 1 . 2]" 3
484 1 25 ILE HA 1 26 CYS H . . 3.060 2.197 2.171 2.235 . 0 0 "[ . 1 . 2]" 3
485 1 25 ILE HA 1 32 GLY HA2 . . 3.310 2.010 1.994 2.033 . 0 0 "[ . 1 . 2]" 3
486 1 25 ILE HA 1 26 CYS HB2 . . 4.870 4.547 4.429 4.662 . 0 0 "[ . 1 . 2]" 3
487 1 25 ILE HA 1 25 ILE MG . . 3.470 2.352 2.232 2.438 . 0 0 "[ . 1 . 2]" 3
488 1 25 ILE H 1 25 ILE HB . . 3.030 2.539 2.466 2.598 . 0 0 "[ . 1 . 2]" 3
489 1 24 VAL HA 1 25 ILE HB . . 4.780 4.655 4.581 4.724 . 0 0 "[ . 1 . 2]" 3
490 1 24 VAL MG1 1 25 ILE HB . . 4.800 4.404 4.272 4.550 . 0 0 "[ . 1 . 2]" 3
491 1 25 ILE HA 1 25 ILE HG12 . . 3.890 3.040 2.892 3.238 . 0 0 "[ . 1 . 2]" 3
492 1 24 VAL HA 1 25 ILE HG12 . . 4.450 3.740 3.590 3.877 . 0 0 "[ . 1 . 2]" 3
493 1 24 VAL HA 1 25 ILE HG13 . . 5.500 5.418 5.238 5.519 0.019 7 0 "[ . 1 . 2]" 3
494 1 25 ILE HG13 1 32 GLY HA2 . . 4.870 4.684 4.506 4.888 0.018 2 0 "[ . 1 . 2]" 3
495 1 25 ILE H 1 25 ILE HG13 . . 3.990 3.773 3.655 3.915 . 0 0 "[ . 1 . 2]" 3
496 1 23 MET HG2 1 25 ILE MD . . 4.260 2.796 2.340 3.199 . 0 0 "[ . 1 . 2]" 3
497 1 25 ILE MD 1 32 GLY HA3 . . 3.530 2.054 1.927 2.232 . 0 0 "[ . 1 . 2]" 3
498 1 7 GLY QA 1 25 ILE MD . . 3.580 3.197 2.558 3.579 . 0 0 "[ . 1 . 2]" 3
499 1 25 ILE MD 1 32 GLY HA2 . . 3.490 2.079 1.942 2.296 . 0 0 "[ . 1 . 2]" 3
500 1 25 ILE H 1 25 ILE MD . . 4.010 3.512 3.160 3.740 . 0 0 "[ . 1 . 2]" 3
501 1 25 ILE MD 1 33 TYR H . . 4.550 3.686 3.326 3.952 . 0 0 "[ . 1 . 2]" 3
502 1 25 ILE MD 1 32 GLY H . . 4.550 2.878 2.512 3.312 . 0 0 "[ . 1 . 2]" 3
503 1 24 VAL HA 1 24 VAL MG1 . . 2.940 2.352 2.222 2.459 . 0 0 "[ . 1 . 2]" 3
504 1 24 VAL HA 1 24 VAL MG2 . . 3.160 2.345 2.277 2.489 . 0 0 "[ . 1 . 2]" 3
505 1 23 MET HA 1 24 VAL H . . 2.660 2.247 2.146 2.353 . 0 0 "[ . 1 . 2]" 3
506 1 23 MET HA 1 33 TYR H . . 4.630 4.108 3.824 4.500 . 0 0 "[ . 1 . 2]" 3
507 1 23 MET HA 1 24 VAL HA . . 4.950 4.436 4.393 4.485 . 0 0 "[ . 1 . 2]" 3
508 1 23 MET HA 1 34 HIS HB3 . . 5.330 4.473 4.142 4.760 . 0 0 "[ . 1 . 2]" 3
509 1 23 MET HA 1 23 MET HG2 . . 4.160 3.307 2.956 3.796 . 0 0 "[ . 1 . 2]" 3
510 1 23 MET H 1 23 MET HG2 . . 4.860 4.414 4.274 4.746 . 0 0 "[ . 1 . 2]" 3
511 1 23 MET H 1 23 MET HG3 . . 4.860 4.608 4.419 4.715 . 0 0 "[ . 1 . 2]" 3
512 1 23 MET HA 1 23 MET HG3 . . 4.160 2.629 2.459 2.847 . 0 0 "[ . 1 . 2]" 3
513 1 23 MET HG3 1 25 ILE MD . . 4.260 3.478 2.874 3.989 . 0 0 "[ . 1 . 2]" 3
514 1 22 GLU HA 1 34 HIS HD2 . . 4.760 4.024 3.806 4.450 . 0 0 "[ . 1 . 2]" 3
515 1 21 ASN HA 1 22 GLU HA . . 4.900 4.631 4.561 4.705 . 0 0 "[ . 1 . 2]" 3
516 1 17 SER HA 1 22 GLU HA . . 3.690 3.426 3.065 3.690 0.000 2 0 "[ . 1 . 2]" 3
517 1 22 GLU HB2 1 47 ILE MD . . 4.400 2.349 1.950 2.721 . 0 0 "[ . 1 . 2]" 3
518 1 21 ASN HA 1 35 GLN HG2 . . 5.420 5.041 4.673 5.380 . 0 0 "[ . 1 . 2]" 3
519 1 21 ASN HA 1 35 GLN HB2 . . 3.030 2.253 1.998 2.509 . 0 0 "[ . 1 . 2]" 3
520 1 21 ASN HA 1 35 GLN HG3 . . 4.240 3.849 3.406 4.198 . 0 0 "[ . 1 . 2]" 3
521 1 21 ASN HA 1 36 LEU HG . . 4.010 2.686 2.276 3.013 . 0 0 "[ . 1 . 2]" 3
522 1 21 ASN HA 1 35 GLN HA . . 5.140 5.030 4.803 5.163 0.023 13 0 "[ . 1 . 2]" 3
523 1 21 ASN HA 1 36 LEU MD1 . . 4.640 3.481 3.114 3.776 . 0 0 "[ . 1 . 2]" 3
524 1 21 ASN HA 1 21 ASN HD21 . . 4.790 4.107 2.353 4.443 . 0 0 "[ . 1 . 2]" 3
525 1 21 ASN HA 1 35 GLN H . . 4.330 3.272 3.094 3.503 . 0 0 "[ . 1 . 2]" 3
526 1 21 ASN HB2 1 36 LEU HG . . 4.490 2.945 2.392 3.300 . 0 0 "[ . 1 . 2]" 3
527 1 21 ASN HB3 1 36 LEU HG . . 4.490 4.274 3.862 4.522 0.032 15 0 "[ . 1 . 2]" 3
528 1 21 ASN HB3 1 36 LEU MD1 . . 3.950 3.315 3.088 3.519 . 0 0 "[ . 1 . 2]" 3
529 1 19 ALA MB 1 20 PRO HA . . 3.020 2.063 1.959 2.248 . 0 0 "[ . 1 . 2]" 3
530 1 15 GLU HB2 1 16 TYR HA . . 4.830 4.572 4.248 4.794 . 0 0 "[ . 1 . 2]" 3
531 1 20 PRO HG2 1 36 LEU MD1 . . 4.670 3.895 3.137 4.668 . 0 0 "[ . 1 . 2]" 3
532 1 20 PRO HD2 1 21 ASN H . . 4.690 2.976 2.939 3.002 . 0 0 "[ . 1 . 2]" 3
533 1 20 PRO HD3 1 21 ASN H . . 4.690 4.016 3.997 4.030 . 0 0 "[ . 1 . 2]" 3
534 1 19 ALA HA 1 22 GLU H . . 4.350 2.346 2.067 2.611 . 0 0 "[ . 1 . 2]" 3
535 1 19 ALA HA 1 22 GLU HG3 . . 3.200 2.466 2.376 2.592 . 0 0 "[ . 1 . 2]" 3
536 1 19 ALA HA 1 22 GLU HB2 . . 3.690 3.410 3.347 3.473 . 0 0 "[ . 1 . 2]" 3
537 1 19 ALA HA 1 22 GLU HB3 . . 4.830 4.702 4.602 4.785 . 0 0 "[ . 1 . 2]" 3
538 1 19 ALA MB 1 20 PRO HB2 . . 4.700 4.400 4.288 4.532 . 0 0 "[ . 1 . 2]" 3
539 1 18 GLU QG 1 19 ALA MB . . 4.500 4.072 3.822 4.504 0.004 7 0 "[ . 1 . 2]" 3
540 1 19 ALA MB 1 20 PRO HB3 . . 4.700 3.712 3.603 3.856 . 0 0 "[ . 1 . 2]" 3
541 1 19 ALA H 1 19 ALA MB . . 3.040 2.118 2.029 2.228 . 0 0 "[ . 1 . 2]" 3
542 1 17 SER HA 1 18 GLU H . . 3.160 2.157 2.139 2.189 . 0 0 "[ . 1 . 2]" 3
543 1 16 TYR QD 1 17 SER HA . . 4.530 3.065 2.637 4.331 . 0 0 "[ . 1 . 2]" 3
544 1 17 SER HA 1 34 HIS HD2 . . 4.510 3.392 3.086 3.714 . 0 0 "[ . 1 . 2]" 3
545 1 17 SER HB2 1 23 MET HB3 . . 4.120 3.141 2.355 3.969 . 0 0 "[ . 1 . 2]" 3
546 1 17 SER HB2 1 23 MET HB2 . . 4.120 3.089 2.192 4.125 0.005 19 0 "[ . 1 . 2]" 3
547 1 17 SER HB2 1 18 GLU H . . 4.900 3.686 3.085 4.372 . 0 0 "[ . 1 . 2]" 3
548 1 17 SER HB2 1 23 MET H . . 4.240 2.723 2.135 3.803 . 0 0 "[ . 1 . 2]" 3
549 1 17 SER HB3 1 23 MET HB2 . . 4.120 2.664 2.072 3.977 . 0 0 "[ . 1 . 2]" 3
550 1 17 SER HB3 1 23 MET HB3 . . 4.120 2.989 2.480 3.957 . 0 0 "[ . 1 . 2]" 3
551 1 16 TYR HA 1 17 SER H . . 2.950 2.165 2.137 2.292 . 0 0 "[ . 1 . 2]" 3
552 1 16 TYR HA 1 16 TYR QD . . 3.690 3.524 3.473 3.680 . 0 0 "[ . 1 . 2]" 3
553 1 15 GLU HA 1 15 GLU HG3 . . 4.100 2.923 2.269 3.617 . 0 0 "[ . 1 . 2]" 3
554 1 8 VAL MG1 1 15 GLU HA . . 4.570 2.396 2.203 2.853 . 0 0 "[ . 1 . 2]" 3
555 1 8 VAL MG2 1 15 GLU HA . . 4.570 3.896 3.586 4.403 . 0 0 "[ . 1 . 2]" 3
556 1 15 GLU H 1 15 GLU HB2 . . 3.780 2.254 2.189 2.446 . 0 0 "[ . 1 . 2]" 3
557 1 8 VAL HA 1 15 GLU HB2 . . 5.260 5.221 5.085 5.278 0.018 12 0 "[ . 1 . 2]" 3
558 1 8 VAL MG1 1 15 GLU HB2 . . 5.080 3.554 3.258 4.045 . 0 0 "[ . 1 . 2]" 3
559 1 8 VAL MG2 1 15 GLU HB2 . . 5.080 4.303 3.997 5.038 . 0 0 "[ . 1 . 2]" 3
560 1 8 VAL HA 1 15 GLU HB3 . . 5.010 4.909 4.566 5.024 0.014 19 0 "[ . 1 . 2]" 3
561 1 8 VAL MG1 1 15 GLU HB3 . . 5.420 4.053 3.873 4.308 . 0 0 "[ . 1 . 2]" 3
562 1 8 VAL MG2 1 15 GLU HB3 . . 5.420 4.506 4.299 4.860 . 0 0 "[ . 1 . 2]" 3
563 1 14 GLU HA 1 14 GLU HG2 . . 3.560 2.730 2.432 2.898 . 0 0 "[ . 1 . 2]" 3
564 1 14 GLU H 1 14 GLU HG2 . . 3.780 3.344 3.072 3.563 . 0 0 "[ . 1 . 2]" 3
565 1 14 GLU HG2 1 15 GLU H . . 4.880 4.729 4.393 4.910 0.030 20 0 "[ . 1 . 2]" 3
566 1 14 GLU HG2 1 34 HIS HE1 . . 4.710 4.515 4.391 4.779 0.069 19 0 "[ . 1 . 2]" 3
567 1 14 GLU HG3 1 15 GLU H . . 5.500 5.211 5.084 5.357 . 0 0 "[ . 1 . 2]" 3
568 1 14 GLU H 1 14 GLU HG3 . . 4.330 4.205 3.172 4.358 0.028 10 0 "[ . 1 . 2]" 3
569 1 14 GLU HA 1 14 GLU HG3 . . 4.010 3.671 3.491 3.771 . 0 0 "[ . 1 . 2]" 3
570 1 8 VAL HB 1 13 GLN HA . . 3.580 3.335 3.252 3.413 . 0 0 "[ . 1 . 2]" 3
571 1 9 CYS H 1 13 GLN HA . . 4.500 3.281 3.107 3.452 . 0 0 "[ . 1 . 2]" 3
572 1 13 GLN QB 1 14 GLU H . . 4.740 3.898 3.882 3.908 . 0 0 "[ . 1 . 2]" 3
573 1 13 GLN HA 1 13 GLN HG3 . . 3.950 3.260 2.158 3.787 . 0 0 "[ . 1 . 2]" 3
574 1 12 CYS H 1 12 CYS HB3 . . 3.850 2.936 2.791 3.021 . 0 0 "[ . 1 . 2]" 3
575 1 12 CYS H 1 12 CYS HB2 . . 3.850 3.716 3.671 3.747 . 0 0 "[ . 1 . 2]" 3
576 1 11 ILE HB 1 38 HIS H . . 5.500 5.287 5.115 5.501 0.001 6 0 "[ . 1 . 2]" 3
577 1 11 ILE QG 1 33 TYR QE . . 4.230 4.081 3.917 4.220 . 0 0 "[ . 1 . 2]" 3
578 1 11 ILE HA 1 11 ILE QG . . 3.620 2.327 2.244 2.382 . 0 0 "[ . 1 . 2]" 3
579 1 11 ILE H 1 11 ILE MG . . 4.070 3.803 3.783 3.836 . 0 0 "[ . 1 . 2]" 3
580 1 11 ILE MG 1 12 CYS H . . 3.730 3.279 2.906 3.438 . 0 0 "[ . 1 . 2]" 3
581 1 11 ILE HA 1 11 ILE MG . . 3.040 2.398 2.327 2.456 . 0 0 "[ . 1 . 2]" 3
582 1 11 ILE MG 1 37 CYS HB3 . . 3.290 2.694 2.428 2.920 . 0 0 "[ . 1 . 2]" 3
583 1 11 ILE MD 1 33 TYR QD . . 3.610 1.867 1.784 1.920 . 0 0 "[ . 1 . 2]" 3
584 1 11 ILE MD 1 33 TYR QE . . 3.390 3.020 2.765 3.291 . 0 0 "[ . 1 . 2]" 3
585 1 11 ILE HA 1 11 ILE MD . . 3.370 3.338 3.274 3.399 0.029 14 0 "[ . 1 . 2]" 3
586 1 10 THR HB 1 11 ILE MD . . 4.700 2.523 2.281 2.754 . 0 0 "[ . 1 . 2]" 3
587 1 11 ILE HB 1 11 ILE MD . . 3.610 2.159 2.092 2.225 . 0 0 "[ . 1 . 2]" 3
588 1 10 THR H 1 10 THR HB . . 3.110 2.669 2.578 2.730 . 0 0 "[ . 1 . 2]" 3
589 1 10 THR HB 1 33 TYR QD . . 4.400 3.413 2.865 3.721 . 0 0 "[ . 1 . 2]" 3
590 1 10 THR HB 1 33 TYR HA . . 4.930 4.567 4.340 4.835 . 0 0 "[ . 1 . 2]" 3
591 1 10 THR HB 1 31 GLN HB3 . . 4.170 4.110 3.864 4.178 0.008 20 0 "[ . 1 . 2]" 3
592 1 10 THR HB 1 11 ILE QG . . 4.070 3.701 3.542 3.847 . 0 0 "[ . 1 . 2]" 3
593 1 9 CYS HB3 1 34 HIS H . . 5.080 4.898 4.777 5.018 . 0 0 "[ . 1 . 2]" 3
594 1 9 CYS HB3 1 14 GLU H . . 3.380 1.914 1.891 1.990 . 0 0 "[ . 1 . 2]" 3
595 1 9 CYS H 1 9 CYS HB3 . . 3.060 2.771 2.718 2.841 . 0 0 "[ . 1 . 2]" 3
596 1 9 CYS HB3 1 14 GLU QB . . 4.380 3.841 3.735 4.054 . 0 0 "[ . 1 . 2]" 3
597 1 9 CYS HB3 1 23 MET ME . . 4.030 3.800 3.491 4.020 . 0 0 "[ . 1 . 2]" 3
598 1 23 MET HG2 1 24 VAL H . . 3.730 2.884 2.246 3.741 0.011 14 0 "[ . 1 . 2]" 3
599 1 9 CYS HB2 1 14 GLU H . . 3.870 2.486 2.354 2.655 . 0 0 "[ . 1 . 2]" 3
600 1 9 CYS HB2 1 13 GLN H . . 4.130 3.734 3.636 3.903 . 0 0 "[ . 1 . 2]" 3
601 1 9 CYS H 1 9 CYS HB2 . . 3.150 2.308 2.257 2.350 . 0 0 "[ . 1 . 2]" 3
602 1 8 VAL HB 1 9 CYS H . . 3.240 3.188 3.077 3.283 0.043 17 0 "[ . 1 . 2]" 3
603 1 8 VAL HB 1 14 GLU H . . 5.020 4.723 4.507 4.989 . 0 0 "[ . 1 . 2]" 3
604 1 8 VAL MG1 1 15 GLU HG3 . . 4.690 2.231 1.975 3.157 . 0 0 "[ . 1 . 2]" 3
605 1 8 VAL H 1 8 VAL MG1 . . 3.980 3.881 3.794 3.979 . 0 0 "[ . 1 . 2]" 3
606 1 62 THR MG 1 63 THR H . . 4.780 3.316 1.920 4.094 . 0 0 "[ . 1 . 2]" 3
607 1 28 LYS HB3 1 58 CYS HB3 . . 3.970 3.841 3.107 3.991 0.021 14 0 "[ . 1 . 2]" 3
608 1 57 GLN H 1 57 GLN HG3 . . 3.900 2.814 2.023 3.688 . 0 0 "[ . 1 . 2]" 3
609 1 57 GLN HA 1 57 GLN HG3 . . 3.860 3.054 2.285 3.775 . 0 0 "[ . 1 . 2]" 3
610 1 55 CYS H 1 55 CYS HB3 . . 3.220 2.532 2.367 2.653 . 0 0 "[ . 1 . 2]" 3
611 1 33 TYR HB2 1 38 HIS HB2 . . 4.300 2.834 2.346 3.027 . 0 0 "[ . 1 . 2]" 3
612 1 33 TYR HB2 1 38 HIS HB3 . . 4.470 4.319 3.892 4.474 0.004 7 0 "[ . 1 . 2]" 3
613 1 21 ASN H 1 22 GLU HA . . 5.100 4.793 4.723 4.886 . 0 0 "[ . 1 . 2]" 3
614 1 24 VAL HA 1 25 ILE H . . 2.670 2.145 2.140 2.164 . 0 0 "[ . 1 . 2]" 3
615 1 13 GLN HA 1 13 GLN HG2 . . 3.950 2.968 2.500 3.546 . 0 0 "[ . 1 . 2]" 3
616 1 15 GLU H 1 16 TYR QD . . 4.690 4.306 4.000 4.627 . 0 0 "[ . 1 . 2]" 3
617 1 16 TYR QD 1 17 SER H . . 4.610 3.226 2.607 4.190 . 0 0 "[ . 1 . 2]" 3
618 1 14 GLU QB 1 16 TYR QD . . 3.220 2.066 1.835 2.283 . 0 0 "[ . 1 . 2]" 3
619 1 16 TYR QD 1 18 GLU QB . . 4.320 3.420 3.163 3.708 . 0 0 "[ . 1 . 2]" 3
620 1 16 TYR QE 1 18 GLU QB . . 4.070 3.925 3.303 4.097 0.027 16 0 "[ . 1 . 2]" 3
621 1 14 GLU QB 1 16 TYR QE . . 3.350 2.754 2.347 2.936 . 0 0 "[ . 1 . 2]" 3
622 1 14 GLU HG3 1 16 TYR QE . . 4.250 2.517 2.160 3.622 . 0 0 "[ . 1 . 2]" 3
623 1 16 TYR QE 1 21 ASN HD21 . . 3.870 3.069 2.249 3.872 0.002 13 0 "[ . 1 . 2]" 3
624 1 11 ILE QG 1 33 TYR QD . . 3.440 3.437 3.322 3.511 0.071 20 0 "[ . 1 . 2]" 3
625 1 11 ILE HB 1 33 TYR QD . . 5.320 5.110 4.872 5.340 0.020 18 0 "[ . 1 . 2]" 3
626 1 33 TYR QD 1 38 HIS HA . . 4.300 3.547 3.232 3.707 . 0 0 "[ . 1 . 2]" 3
627 1 32 GLY HA2 1 33 TYR QD . . 4.500 2.883 2.583 3.244 . 0 0 "[ . 1 . 2]" 3
628 1 24 VAL H 1 33 TYR QD . . 5.070 4.825 4.535 5.073 0.003 8 0 "[ . 1 . 2]" 3
629 1 33 TYR QD 1 34 HIS H . . 5.480 4.681 4.488 4.789 . 0 0 "[ . 1 . 2]" 3
630 1 10 THR MG 1 33 TYR QE . . 3.390 3.096 2.627 3.313 . 0 0 "[ . 1 . 2]" 3
631 1 31 GLN HB2 1 33 TYR QE . . 3.460 2.229 1.986 2.670 . 0 0 "[ . 1 . 2]" 3
632 1 33 TYR QE 1 55 CYS HB3 . . 3.430 3.258 2.612 3.438 0.008 2 0 "[ . 1 . 2]" 3
633 1 26 CYS HB2 1 33 TYR QE . . 3.530 3.045 2.659 3.342 . 0 0 "[ . 1 . 2]" 3
634 1 10 THR HB 1 33 TYR QE . . 3.760 2.662 2.052 3.087 . 0 0 "[ . 1 . 2]" 3
635 1 33 TYR QE 1 38 HIS HA . . 5.500 5.434 5.189 5.528 0.028 20 0 "[ . 1 . 2]" 3
636 1 26 CYS H 1 33 TYR QE . . 4.690 3.488 3.124 3.860 . 0 0 "[ . 1 . 2]" 3
637 1 23 MET HA 1 34 HIS HD2 . . 3.810 2.586 2.124 2.826 . 0 0 "[ . 1 . 2]" 3
638 1 34 HIS HB3 1 34 HIS HD2 . . 3.710 3.172 3.068 3.265 . 0 0 "[ . 1 . 2]" 3
639 1 23 MET HB2 1 34 HIS HD2 . . 4.600 2.380 1.994 2.914 . 0 0 "[ . 1 . 2]" 3
640 1 23 MET HB3 1 34 HIS HD2 . . 4.600 3.957 3.510 4.478 . 0 0 "[ . 1 . 2]" 3
641 1 18 GLU H 1 34 HIS HD2 . . 4.800 4.597 4.024 4.803 0.003 19 0 "[ . 1 . 2]" 3
642 1 23 MET H 1 34 HIS HD2 . . 4.290 3.845 3.607 4.164 . 0 0 "[ . 1 . 2]" 3
643 1 34 HIS HD2 1 35 GLN H . . 4.680 3.952 3.808 4.092 . 0 0 "[ . 1 . 2]" 3
644 1 24 VAL H 1 34 HIS HD2 . . 5.500 4.631 4.179 4.930 . 0 0 "[ . 1 . 2]" 3
645 1 34 HIS H 1 34 HIS HD2 . . 5.500 4.119 3.894 4.333 . 0 0 "[ . 1 . 2]" 3
646 1 38 HIS HD2 1 53 TRP HZ2 . . 4.780 2.971 2.615 3.535 . 0 0 "[ . 1 . 2]" 3
647 1 33 TYR QE 1 38 HIS HD2 . . 4.530 4.306 4.079 4.534 0.004 12 0 "[ . 1 . 2]" 3
648 1 33 TYR QD 1 38 HIS HD2 . . 3.980 3.078 2.729 3.397 . 0 0 "[ . 1 . 2]" 3
649 1 38 HIS HD2 1 56 ARG H . . 4.390 3.509 3.152 4.066 . 0 0 "[ . 1 . 2]" 3
650 1 38 HIS HD2 1 55 CYS HA . . 5.010 3.435 2.764 3.811 . 0 0 "[ . 1 . 2]" 3
651 1 38 HIS HB3 1 38 HIS HD2 . . 3.960 3.838 3.736 3.912 . 0 0 "[ . 1 . 2]" 3
652 1 33 TYR HB2 1 38 HIS HD2 . . 5.150 2.803 2.300 3.656 . 0 0 "[ . 1 . 2]" 3
653 1 38 HIS HD2 1 42 ILE HG13 . . 4.730 4.493 4.159 4.735 0.005 13 0 "[ . 1 . 2]" 3
654 1 11 ILE MD 1 38 HIS HD2 . . 4.790 4.218 3.957 4.560 . 0 0 "[ . 1 . 2]" 3
655 1 38 HIS HD2 1 42 ILE MD . . 5.070 3.148 2.720 3.828 . 0 0 "[ . 1 . 2]" 3
656 1 26 CYS H 1 53 TRP HE3 . . 4.800 4.062 3.736 4.439 . 0 0 "[ . 1 . 2]" 3
657 1 25 ILE H 1 53 TRP HE3 . . 4.910 4.556 4.231 4.824 . 0 0 "[ . 1 . 2]" 3
658 1 26 CYS HA 1 53 TRP HE3 . . 3.040 2.180 1.998 2.429 . 0 0 "[ . 1 . 2]" 3
659 1 53 TRP HB3 1 53 TRP HE3 . . 3.230 2.582 2.506 2.675 . 0 0 "[ . 1 . 2]" 3
660 1 24 VAL HB 1 53 TRP HE3 . . 4.770 4.473 4.186 4.706 . 0 0 "[ . 1 . 2]" 3
661 1 53 TRP HZ2 1 56 ARG H . . 4.600 3.763 3.497 4.269 . 0 0 "[ . 1 . 2]" 3
662 1 53 TRP HZ2 1 55 CYS HB2 . . 4.660 4.360 3.976 4.641 . 0 0 "[ . 1 . 2]" 3
663 1 53 TRP HZ2 1 55 CYS HB3 . . 4.780 4.488 4.078 4.743 . 0 0 "[ . 1 . 2]" 3
664 1 42 ILE HG13 1 53 TRP HZ2 . . 4.220 3.588 3.169 4.053 . 0 0 "[ . 1 . 2]" 3
665 1 42 ILE HG12 1 53 TRP HZ2 . . 3.610 2.653 2.281 3.222 . 0 0 "[ . 1 . 2]" 3
666 1 42 ILE MD 1 53 TRP HZ2 . . 3.530 2.543 2.117 3.062 . 0 0 "[ . 1 . 2]" 3
667 1 33 TYR H 1 53 TRP HZ3 . . 4.730 4.548 4.141 4.734 0.004 6 0 "[ . 1 . 2]" 3
668 1 26 CYS H 1 53 TRP HZ3 . . 3.950 3.075 2.758 3.385 . 0 0 "[ . 1 . 2]" 3
669 1 53 TRP HZ3 1 55 CYS H . . 4.820 3.889 3.361 4.639 . 0 0 "[ . 1 . 2]" 3
670 1 33 TYR QD 1 53 TRP HZ3 . . 3.440 2.754 2.268 3.379 . 0 0 "[ . 1 . 2]" 3
671 1 26 CYS HB2 1 53 TRP HZ3 . . 3.470 2.233 1.999 2.598 . 0 0 "[ . 1 . 2]" 3
672 1 33 TYR HB2 1 53 TRP HZ3 . . 4.770 3.884 3.567 4.226 . 0 0 "[ . 1 . 2]" 3
673 1 53 TRP HZ3 1 55 CYS HB3 . . 3.950 3.031 2.636 3.329 . 0 0 "[ . 1 . 2]" 3
674 1 24 VAL HB 1 53 TRP HZ3 . . 4.830 4.336 3.993 4.536 . 0 0 "[ . 1 . 2]" 3
675 1 24 VAL MG1 1 53 TRP HZ3 . . 4.090 3.251 2.858 3.611 . 0 0 "[ . 1 . 2]" 3
676 1 53 TRP HD1 1 54 LEU H . . 3.940 3.432 3.116 3.824 . 0 0 "[ . 1 . 2]" 3
677 1 53 TRP HA 1 53 TRP HD1 . . 3.610 3.273 3.086 3.473 . 0 0 "[ . 1 . 2]" 3
678 1 46 VAL MG1 1 53 TRP HD1 . . 3.640 2.214 1.926 2.684 . 0 0 "[ . 1 . 2]" 3
679 1 46 VAL MG2 1 53 TRP HD1 . . 3.640 2.729 2.254 3.102 . 0 0 "[ . 1 . 2]" 3
680 1 42 ILE MG 1 53 TRP HD1 . . 3.930 3.368 2.941 3.883 . 0 0 "[ . 1 . 2]" 3
681 1 53 TRP HH2 1 56 ARG H . . 4.890 4.022 3.814 4.403 . 0 0 "[ . 1 . 2]" 3
682 1 33 TYR QD 1 53 TRP HH2 . . 3.490 2.998 2.372 3.264 . 0 0 "[ . 1 . 2]" 3
683 1 33 TYR QE 1 53 TRP HH2 . . 4.330 4.119 3.673 4.304 . 0 0 "[ . 1 . 2]" 3
684 1 38 HIS HD2 1 53 TRP HH2 . . 3.740 2.350 1.999 2.886 . 0 0 "[ . 1 . 2]" 3
685 1 53 TRP HH2 1 55 CYS HB2 . . 3.610 3.035 2.642 3.288 . 0 0 "[ . 1 . 2]" 3
686 1 33 TYR HB2 1 53 TRP HH2 . . 3.890 2.709 2.401 3.132 . 0 0 "[ . 1 . 2]" 3
687 1 53 TRP HH2 1 55 CYS HB3 . . 3.640 2.678 2.320 2.999 . 0 0 "[ . 1 . 2]" 3
688 1 24 VAL MG1 1 53 TRP HH2 . . 4.740 4.202 3.835 4.547 . 0 0 "[ . 1 . 2]" 3
689 1 42 ILE MD 1 53 TRP HH2 . . 3.730 3.084 2.826 3.387 . 0 0 "[ . 1 . 2]" 3
690 1 60 PHE QD 1 61 ALA HA . . 4.520 3.551 3.079 4.333 . 0 0 "[ . 1 . 2]" 3
691 1 56 ARG QD 1 60 PHE QD . . 4.680 4.465 3.772 4.688 0.008 15 0 "[ . 1 . 2]" 3
692 1 59 VAL HB 1 60 PHE QD . . 5.500 5.395 5.263 5.498 . 0 0 "[ . 1 . 2]" 3
693 1 31 GLN HB3 1 33 TYR QE . . 3.890 3.253 2.970 3.611 . 0 0 "[ . 1 . 2]" 3
694 1 11 ILE HB 1 37 CYS HB2 . . 3.760 3.500 3.233 3.656 . 0 0 "[ . 1 . 2]" 3
695 1 9 CYS HB2 1 34 HIS HE1 . . 3.490 2.530 2.426 2.630 . 0 0 "[ . 1 . 2]" 3
696 1 14 GLU QB 1 34 HIS HE1 . . 2.890 2.014 1.960 2.225 . 0 0 "[ . 1 . 2]" 3
697 1 14 GLU HG3 1 34 HIS HE1 . . 4.650 4.243 3.728 4.469 . 0 0 "[ . 1 . 2]" 3
698 1 9 CYS HB3 1 34 HIS HE1 . . 3.580 3.501 3.326 3.584 0.004 15 0 "[ . 1 . 2]" 3
699 1 13 GLN HA 1 34 HIS HE1 . . 5.500 5.468 5.360 5.530 0.030 20 0 "[ . 1 . 2]" 3
700 1 15 GLU H 1 34 HIS HE1 . . 5.000 4.897 4.732 5.013 0.013 5 0 "[ . 1 . 2]" 3
701 1 14 GLU H 1 34 HIS HE1 . . 3.980 2.915 2.825 3.017 . 0 0 "[ . 1 . 2]" 3
702 1 13 GLN H 1 34 HIS HE1 . . 5.230 4.969 4.842 5.099 . 0 0 "[ . 1 . 2]" 3
703 1 9 CYS H 1 34 HIS HE1 . . 4.570 4.034 3.883 4.186 . 0 0 "[ . 1 . 2]" 3
704 1 15 GLU HA 1 34 HIS HE1 . . 4.920 4.773 4.590 4.925 0.005 6 0 "[ . 1 . 2]" 3
705 1 54 LEU HG 1 58 CYS HB3 . . 5.030 4.164 3.213 5.040 0.010 15 0 "[ . 1 . 2]" 3
706 1 58 CYS HB3 1 61 ALA MB . . 5.430 4.635 4.112 5.030 . 0 0 "[ . 1 . 2]" 3
707 1 35 GLN HB2 1 36 LEU MD2 . . 4.220 4.056 3.662 4.202 . 0 0 "[ . 1 . 2]" 3
708 1 11 ILE HB 1 37 CYS HB3 . . 3.070 2.129 1.992 2.223 . 0 0 "[ . 1 . 2]" 3
709 1 19 ALA HA 1 20 PRO HA . . 2.710 2.397 2.321 2.498 . 0 0 "[ . 1 . 2]" 3
710 1 49 SER HB2 1 50 ASP H . . 4.310 3.836 2.624 4.205 . 0 0 "[ . 1 . 2]" 3
711 1 38 HIS HB3 1 41 HIS HA . . 3.960 3.331 3.159 3.533 . 0 0 "[ . 1 . 2]" 3
712 1 6 SER QB 1 7 GLY H . . 4.260 3.165 2.134 4.052 . 0 0 "[ . 1 . 2]" 3
713 1 8 VAL HA 1 9 CYS HB2 . . 4.570 4.515 4.461 4.553 . 0 0 "[ . 1 . 2]" 3
714 1 8 VAL HA 1 15 GLU HG3 . . 4.360 3.572 2.593 4.326 . 0 0 "[ . 1 . 2]" 3
715 1 8 VAL HA 1 9 CYS HB3 . . 5.500 5.179 5.103 5.271 . 0 0 "[ . 1 . 2]" 3
716 1 8 VAL HA 1 32 GLY HA3 . . 5.500 5.030 4.754 5.349 . 0 0 "[ . 1 . 2]" 3
717 1 8 VAL HA 1 15 GLU HA . . 3.100 2.941 2.663 3.098 . 0 0 "[ . 1 . 2]" 3
718 1 8 VAL H 1 8 VAL MG2 . . 3.980 2.247 1.952 2.631 . 0 0 "[ . 1 . 2]" 3
719 1 9 CYS HA 1 25 ILE MD . . 5.500 4.799 4.567 5.027 . 0 0 "[ . 1 . 2]" 3
720 1 9 CYS HA 1 11 ILE MD . . 4.380 4.197 4.069 4.324 . 0 0 "[ . 1 . 2]" 3
721 1 9 CYS HA 1 33 TYR HA . . 3.730 3.544 3.039 3.726 . 0 0 "[ . 1 . 2]" 3
722 1 9 CYS HA 1 10 THR H . . 2.680 2.434 2.328 2.487 . 0 0 "[ . 1 . 2]" 3
723 1 10 THR HA 1 10 THR MG . . 3.050 2.266 2.209 2.328 . 0 0 "[ . 1 . 2]" 3
724 1 10 THR HA 1 13 GLN HE22 . . 4.220 3.587 2.671 4.222 0.002 7 0 "[ . 1 . 2]" 3
725 1 10 THR HA 1 13 GLN HE21 . . 4.220 3.207 2.288 4.167 . 0 0 "[ . 1 . 2]" 3
726 1 10 THR MG 1 11 ILE QG . . 4.030 3.910 3.678 4.039 0.009 7 0 "[ . 1 . 2]" 3
727 1 10 THR MG 1 31 GLN HB3 . . 3.880 3.747 3.524 3.887 0.007 19 0 "[ . 1 . 2]" 3
728 1 10 THR MG 1 11 ILE HA . . 4.080 3.971 3.839 4.079 . 0 0 "[ . 1 . 2]" 3
729 1 10 THR MG 1 33 TYR QD . . 4.590 4.478 4.139 4.594 0.004 2 0 "[ . 1 . 2]" 3
730 1 10 THR MG 1 31 GLN HE21 . . 4.690 3.649 2.674 4.696 0.006 15 0 "[ . 1 . 2]" 3
731 1 10 THR H 1 10 THR MG . . 3.970 3.867 3.831 3.891 . 0 0 "[ . 1 . 2]" 3
732 1 12 CYS HA 1 13 GLN QB . . 4.830 4.025 3.904 4.332 . 0 0 "[ . 1 . 2]" 3
733 1 12 CYS HA 1 14 GLU HG2 . . 5.500 4.806 4.382 5.257 . 0 0 "[ . 1 . 2]" 3
734 1 11 ILE HB 1 12 CYS HA . . 4.670 4.499 4.385 4.554 . 0 0 "[ . 1 . 2]" 3
735 1 11 ILE MG 1 12 CYS HA . . 3.860 3.598 3.318 3.772 . 0 0 "[ . 1 . 2]" 3
736 1 9 CYS HB3 1 13 GLN HA . . 4.530 2.661 2.578 2.754 . 0 0 "[ . 1 . 2]" 3
737 1 8 VAL MG1 1 14 GLU HA . . 5.500 2.710 2.572 2.877 . 0 0 "[ . 1 . 2]" 3
738 1 8 VAL MG2 1 14 GLU HA . . 5.500 4.828 4.635 5.169 . 0 0 "[ . 1 . 2]" 3
739 1 14 GLU HA 1 15 GLU HB2 . . 4.600 4.380 4.300 4.602 0.002 2 0 "[ . 1 . 2]" 3
740 1 8 VAL MG1 1 15 GLU HG2 . . 4.690 2.790 1.932 3.579 . 0 0 "[ . 1 . 2]" 3
741 1 8 VAL MG2 1 15 GLU HG2 . . 4.690 2.501 2.011 3.296 . 0 0 "[ . 1 . 2]" 3
742 1 8 VAL HA 1 15 GLU HG2 . . 4.360 3.069 2.670 4.266 . 0 0 "[ . 1 . 2]" 3
743 1 15 GLU HA 1 15 GLU HG2 . . 4.100 2.493 2.162 3.554 . 0 0 "[ . 1 . 2]" 3
744 1 15 GLU HG2 1 16 TYR H . . 5.240 5.112 4.818 5.266 0.026 10 0 "[ . 1 . 2]" 3
745 1 15 GLU H 1 15 GLU HG2 . . 4.150 3.848 3.161 4.154 0.004 10 0 "[ . 1 . 2]" 3
746 1 8 VAL MG2 1 15 GLU HG3 . . 4.690 2.226 1.965 2.644 . 0 0 "[ . 1 . 2]" 3
747 1 15 GLU HG3 1 16 TYR H . . 5.240 4.852 4.622 5.185 . 0 0 "[ . 1 . 2]" 3
748 1 15 GLU H 1 15 GLU HG3 . . 4.150 3.070 2.724 3.798 . 0 0 "[ . 1 . 2]" 3
749 1 18 GLU HA 1 19 ALA H . . 2.960 2.147 2.138 2.164 . 0 0 "[ . 1 . 2]" 3
750 1 18 GLU HA 1 19 ALA MB . . 4.100 3.956 3.918 4.003 . 0 0 "[ . 1 . 2]" 3
751 1 21 ASN HB3 1 21 ASN HD21 . . 3.520 2.489 2.360 2.851 . 0 0 "[ . 1 . 2]" 3
752 1 21 ASN HB2 1 21 ASN HD21 . . 3.520 2.790 2.511 3.529 0.009 8 0 "[ . 1 . 2]" 3
753 1 22 GLU HB3 1 24 VAL MG2 . . 4.600 3.781 3.632 3.944 . 0 0 "[ . 1 . 2]" 3
754 1 22 GLU HB3 1 47 ILE MD . . 3.690 2.504 2.018 2.843 . 0 0 "[ . 1 . 2]" 3
755 1 22 GLU HB3 1 23 MET H . . 4.030 2.198 1.970 2.366 . 0 0 "[ . 1 . 2]" 3
756 1 22 GLU H 1 22 GLU HB3 . . 3.670 3.477 3.462 3.492 . 0 0 "[ . 1 . 2]" 3
757 1 22 GLU HB2 1 23 MET H . . 4.140 3.670 3.499 3.796 . 0 0 "[ . 1 . 2]" 3
758 1 22 GLU HG3 1 47 ILE MD . . 4.580 4.148 3.807 4.492 . 0 0 "[ . 1 . 2]" 3
759 1 20 PRO HA 1 22 GLU HG3 . . 4.730 4.268 4.105 4.486 . 0 0 "[ . 1 . 2]" 3
760 1 21 ASN H 1 22 GLU HG3 . . 4.960 4.527 4.464 4.612 . 0 0 "[ . 1 . 2]" 3
761 1 22 GLU HG2 1 47 ILE MD . . 4.690 4.166 3.692 4.588 . 0 0 "[ . 1 . 2]" 3
762 1 22 GLU HA 1 22 GLU HG2 . . 3.480 2.525 2.398 2.649 . 0 0 "[ . 1 . 2]" 3
763 1 18 GLU H 1 22 GLU HG2 . . 5.500 4.657 3.805 5.378 . 0 0 "[ . 1 . 2]" 3
764 1 22 GLU H 1 22 GLU HG2 . . 4.340 4.155 4.017 4.310 . 0 0 "[ . 1 . 2]" 3
765 1 19 ALA H 1 22 GLU HG2 . . 4.480 3.186 2.832 3.588 . 0 0 "[ . 1 . 2]" 3
766 1 23 MET H 1 23 MET HB2 . . 3.570 2.995 2.843 3.173 . 0 0 "[ . 1 . 2]" 3
767 1 23 MET HB2 1 24 VAL H . . 4.620 3.993 3.874 4.178 . 0 0 "[ . 1 . 2]" 3
768 1 9 CYS HA 1 23 MET ME . . 3.290 2.808 2.596 3.148 . 0 0 "[ . 1 . 2]" 3
769 1 8 VAL HA 1 23 MET ME . . 3.240 2.590 1.995 2.947 . 0 0 "[ . 1 . 2]" 3
770 1 23 MET HA 1 23 MET ME . . 4.170 3.822 3.524 4.104 . 0 0 "[ . 1 . 2]" 3
771 1 15 GLU HA 1 23 MET ME . . 3.030 2.439 1.974 2.900 . 0 0 "[ . 1 . 2]" 3
772 1 23 MET ME 1 32 GLY HA2 . . 5.200 4.718 4.220 4.998 . 0 0 "[ . 1 . 2]" 3
773 1 23 MET ME 1 34 HIS HE1 . . 3.680 3.135 2.637 3.494 . 0 0 "[ . 1 . 2]" 3
774 1 9 CYS H 1 23 MET ME . . 3.210 2.328 1.878 2.738 . 0 0 "[ . 1 . 2]" 3
775 1 14 GLU H 1 23 MET ME . . 4.770 3.912 3.563 4.184 . 0 0 "[ . 1 . 2]" 3
776 1 23 MET H 1 23 MET ME . . 5.370 4.965 4.612 5.379 0.009 15 0 "[ . 1 . 2]" 3
777 1 23 MET ME 1 32 GLY H . . 5.500 4.688 4.241 5.158 . 0 0 "[ . 1 . 2]" 3
778 1 15 GLU H 1 23 MET ME . . 5.170 4.446 4.232 4.655 . 0 0 "[ . 1 . 2]" 3
779 1 23 MET ME 1 34 HIS H . . 5.500 4.105 3.748 4.587 . 0 0 "[ . 1 . 2]" 3
780 1 23 MET ME 1 33 TYR H . . 4.880 4.477 4.037 4.738 . 0 0 "[ . 1 . 2]" 3
781 1 23 MET ME 1 34 HIS HE2 . . 3.680 1.999 1.874 2.172 . 0 0 "[ . 1 . 2]" 3
782 1 24 VAL HB 1 42 ILE MD . . 3.190 2.103 1.935 2.523 . 0 0 "[ . 1 . 2]" 3
783 1 24 VAL HB 1 25 ILE H . . 4.560 4.217 4.070 4.296 . 0 0 "[ . 1 . 2]" 3
784 1 24 VAL MG2 1 35 GLN HG3 . . 3.430 3.270 3.034 3.420 . 0 0 "[ . 1 . 2]" 3
785 1 23 MET HA 1 24 VAL MG2 . . 3.950 3.511 3.351 3.762 . 0 0 "[ . 1 . 2]" 3
786 1 24 VAL H 1 24 VAL MG2 . . 3.310 2.913 2.670 3.082 . 0 0 "[ . 1 . 2]" 3
787 1 24 VAL MG1 1 53 TRP HB3 . . 3.490 2.593 2.289 2.946 . 0 0 "[ . 1 . 2]" 3
788 1 24 VAL MG1 1 53 TRP HE3 . . 3.200 2.355 2.189 2.490 . 0 0 "[ . 1 . 2]" 3
789 1 24 VAL MG1 1 25 ILE H . . 3.160 2.619 2.396 2.832 . 0 0 "[ . 1 . 2]" 3
790 1 25 ILE MG 1 32 GLY HA3 . . 4.530 4.317 4.119 4.438 . 0 0 "[ . 1 . 2]" 3
791 1 25 ILE MG 1 30 GLY HA2 . . 3.730 2.507 2.259 2.714 . 0 0 "[ . 1 . 2]" 3
792 1 25 ILE MG 1 32 GLY HA2 . . 4.220 3.570 3.457 3.692 . 0 0 "[ . 1 . 2]" 3
793 1 25 ILE H 1 25 ILE MG . . 4.120 3.797 3.773 3.818 . 0 0 "[ . 1 . 2]" 3
794 1 25 ILE MG 1 31 GLN H . . 4.350 3.630 3.151 4.298 . 0 0 "[ . 1 . 2]" 3
795 1 25 ILE MG 1 26 CYS H . . 3.380 2.203 1.962 2.442 . 0 0 "[ . 1 . 2]" 3
796 1 27 ASP HB3 1 28 LYS H . . 3.970 2.689 2.485 2.909 . 0 0 "[ . 1 . 2]" 3
797 1 27 ASP H 1 27 ASP HB3 . . 3.300 2.605 2.383 2.774 . 0 0 "[ . 1 . 2]" 3
798 1 27 ASP HB2 1 54 LEU MD2 . . 4.780 3.647 3.271 3.925 . 0 0 "[ . 1 . 2]" 3
799 1 27 ASP HB2 1 52 LYS HA . . 4.230 3.978 3.510 4.234 0.004 2 0 "[ . 1 . 2]" 3
800 1 27 ASP H 1 27 ASP HB2 . . 3.060 2.525 2.338 2.786 . 0 0 "[ . 1 . 2]" 3
801 1 28 LYS HA 1 28 LYS QG . . 3.490 2.371 2.252 2.424 . 0 0 "[ . 1 . 2]" 3
802 1 28 LYS HB3 1 28 LYS QD . . 3.560 2.677 2.614 2.724 . 0 0 "[ . 1 . 2]" 3
803 1 28 LYS QD 1 58 CYS HB3 . . 3.600 2.909 2.119 3.119 . 0 0 "[ . 1 . 2]" 3
804 1 31 GLN HB3 1 32 GLY H . . 3.360 2.575 2.275 2.960 . 0 0 "[ . 1 . 2]" 3
805 1 25 ILE HG12 1 32 GLY HA3 . . 4.480 4.174 3.867 4.484 0.004 7 0 "[ . 1 . 2]" 3
806 1 23 MET ME 1 32 GLY HA3 . . 4.350 3.370 2.814 3.769 . 0 0 "[ . 1 . 2]" 3
807 1 23 MET HG3 1 32 GLY HA3 . . 4.350 3.080 2.688 3.572 . 0 0 "[ . 1 . 2]" 3
808 1 23 MET HG2 1 32 GLY HA3 . . 4.350 3.330 2.868 4.002 . 0 0 "[ . 1 . 2]" 3
809 1 9 CYS HA 1 32 GLY HA3 . . 4.330 3.375 3.180 3.673 . 0 0 "[ . 1 . 2]" 3
810 1 25 ILE HA 1 32 GLY HA3 . . 3.530 3.492 3.339 3.543 0.013 14 0 "[ . 1 . 2]" 3
811 1 32 GLY HA3 1 33 TYR QD . . 4.800 4.179 3.865 4.567 . 0 0 "[ . 1 . 2]" 3
812 1 26 CYS H 1 32 GLY HA3 . . 5.330 5.076 4.729 5.196 . 0 0 "[ . 1 . 2]" 3
813 1 32 GLY HA3 1 33 TYR H . . 3.380 2.922 2.841 3.028 . 0 0 "[ . 1 . 2]" 3
814 1 25 ILE HG12 1 32 GLY HA2 . . 4.430 3.812 3.530 4.189 . 0 0 "[ . 1 . 2]" 3
815 1 23 MET HG3 1 32 GLY HA2 . . 4.790 3.823 3.351 4.409 . 0 0 "[ . 1 . 2]" 3
816 1 23 MET HG2 1 32 GLY HA2 . . 4.790 3.887 3.308 4.661 . 0 0 "[ . 1 . 2]" 3
817 1 26 CYS H 1 32 GLY HA2 . . 4.190 3.516 3.163 3.678 . 0 0 "[ . 1 . 2]" 3
818 1 35 GLN HB3 1 36 LEU MD2 . . 4.320 4.093 3.499 4.323 0.003 5 0 "[ . 1 . 2]" 3
819 1 35 GLN HB2 1 36 LEU HG . . 3.790 3.387 3.061 3.642 . 0 0 "[ . 1 . 2]" 3
820 1 35 GLN HB3 1 42 ILE HB . . 3.810 3.684 3.538 3.783 . 0 0 "[ . 1 . 2]" 3
821 1 21 ASN HA 1 35 GLN HB3 . . 4.240 3.885 3.543 4.137 . 0 0 "[ . 1 . 2]" 3
822 1 35 GLN HB2 1 35 GLN HE22 . . 4.530 4.288 4.084 4.543 0.013 8 0 "[ . 1 . 2]" 3
823 1 35 GLN HB3 1 35 GLN HE22 . . 4.410 3.607 3.345 3.936 . 0 0 "[ . 1 . 2]" 3
824 1 35 GLN HB2 1 35 GLN HE21 . . 4.040 3.612 3.273 4.049 0.009 15 0 "[ . 1 . 2]" 3
825 1 35 GLN HB3 1 35 GLN HE21 . . 3.760 2.413 1.925 3.026 . 0 0 "[ . 1 . 2]" 3
826 1 35 GLN H 1 35 GLN HB3 . . 3.610 3.585 3.578 3.596 . 0 0 "[ . 1 . 2]" 3
827 1 35 GLN HB3 1 42 ILE H . . 4.460 3.908 3.572 4.186 . 0 0 "[ . 1 . 2]" 3
828 1 22 GLU H 1 35 GLN HB3 . . 5.260 4.512 3.951 4.891 . 0 0 "[ . 1 . 2]" 3
829 1 35 GLN HG2 1 47 ILE MD . . 4.180 2.786 2.376 3.090 . 0 0 "[ . 1 . 2]" 3
830 1 22 GLU H 1 35 GLN HG2 . . 5.090 4.436 4.010 4.789 . 0 0 "[ . 1 . 2]" 3
831 1 35 GLN HG3 1 42 ILE MD . . 4.590 4.110 3.894 4.379 . 0 0 "[ . 1 . 2]" 3
832 1 22 GLU HB3 1 35 GLN HG3 . . 4.350 3.944 3.405 4.268 . 0 0 "[ . 1 . 2]" 3
833 1 11 ILE MG 1 37 CYS HA . . 3.860 3.165 2.785 3.390 . 0 0 "[ . 1 . 2]" 3
834 1 11 ILE HB 1 37 CYS HA . . 4.510 4.131 3.899 4.306 . 0 0 "[ . 1 . 2]" 3
835 1 34 HIS HB2 1 37 CYS HA . . 4.790 4.284 4.206 4.348 . 0 0 "[ . 1 . 2]" 3
836 1 11 ILE MD 1 38 HIS HA . . 3.550 3.003 2.563 3.311 . 0 0 "[ . 1 . 2]" 3
837 1 38 HIS HA 1 38 HIS HD2 . . 4.110 3.512 3.227 3.813 . 0 0 "[ . 1 . 2]" 3
838 1 38 HIS HA 1 39 THR H . . 2.910 2.251 2.140 2.490 . 0 0 "[ . 1 . 2]" 3
839 1 38 HIS HE1 1 56 ARG QG . . 4.780 4.520 3.704 4.795 0.015 13 0 "[ . 1 . 2]" 3
840 1 38 HIS HE1 1 40 PRO HD2 . . 3.180 3.030 2.649 3.182 0.002 9 0 "[ . 1 . 2]" 3
841 1 38 HIS HE1 1 53 TRP HZ2 . . 4.000 3.454 2.893 3.792 . 0 0 "[ . 1 . 2]" 3
842 1 38 HIS HE1 1 56 ARG H . . 3.560 3.166 2.429 3.554 . 0 0 "[ . 1 . 2]" 3
843 1 39 THR HA 1 39 THR MG . . 3.110 2.351 2.211 2.429 . 0 0 "[ . 1 . 2]" 3
844 1 39 THR HA 1 41 HIS HD2 . . 4.210 3.865 3.680 3.990 . 0 0 "[ . 1 . 2]" 3
845 1 39 THR HB 1 56 ARG QD . . 4.740 4.014 3.147 4.753 0.013 13 0 "[ . 1 . 2]" 3
846 1 39 THR H 1 39 THR HB . . 3.490 2.783 2.612 3.007 . 0 0 "[ . 1 . 2]" 3
847 1 40 PRO HD2 1 56 ARG QD . . 4.440 3.562 2.520 4.261 . 0 0 "[ . 1 . 2]" 3
848 1 39 THR MG 1 40 PRO HD3 . . 4.280 3.363 3.251 3.588 . 0 0 "[ . 1 . 2]" 3
849 1 40 PRO HD3 1 56 ARG QD . . 4.260 3.624 2.750 4.259 . 0 0 "[ . 1 . 2]" 3
850 1 38 HIS HE1 1 40 PRO HD3 . . 4.830 4.682 4.235 4.839 0.009 12 0 "[ . 1 . 2]" 3
851 1 41 HIS HB2 1 42 ILE H . . 4.330 4.206 3.874 4.351 0.021 20 0 "[ . 1 . 2]" 3
852 1 36 LEU HA 1 41 HIS HB3 . . 4.120 3.652 3.412 3.906 . 0 0 "[ . 1 . 2]" 3
853 1 36 LEU MD2 1 41 HIS HD2 . . 4.190 4.073 3.896 4.191 0.001 20 0 "[ . 1 . 2]" 3
854 1 36 LEU HA 1 41 HIS HD2 . . 3.580 2.913 2.632 3.120 . 0 0 "[ . 1 . 2]" 3
855 1 41 HIS HD2 1 42 ILE H . . 4.710 4.485 4.295 4.668 . 0 0 "[ . 1 . 2]" 3
856 1 42 ILE HA 1 42 ILE MG . . 2.970 2.384 2.295 2.466 . 0 0 "[ . 1 . 2]" 3
857 1 42 ILE MG 1 53 TRP HZ2 . . 4.710 4.077 3.749 4.678 . 0 0 "[ . 1 . 2]" 3
858 1 42 ILE MG 1 46 VAL H . . 4.520 4.336 4.147 4.472 . 0 0 "[ . 1 . 2]" 3
859 1 42 ILE MG 1 43 ASP H . . 3.480 2.128 1.899 2.445 . 0 0 "[ . 1 . 2]" 3
860 1 42 ILE HA 1 43 ASP HA . . 5.250 4.348 4.339 4.363 . 0 0 "[ . 1 . 2]" 3
861 1 35 GLN HE21 1 43 ASP HA . . 4.190 3.439 3.040 3.924 . 0 0 "[ . 1 . 2]" 3
862 1 35 GLN HE22 1 43 ASP HA . . 4.790 3.974 3.455 4.572 . 0 0 "[ . 1 . 2]" 3
863 1 44 SER HA 1 47 ILE HG12 . . 4.850 4.716 4.450 4.866 0.016 6 0 "[ . 1 . 2]" 3
864 1 44 SER HA 1 47 ILE HG13 . . 4.130 3.374 3.103 3.554 . 0 0 "[ . 1 . 2]" 3
865 1 35 GLN HE22 1 44 SER HA . . 3.630 2.621 2.255 3.243 . 0 0 "[ . 1 . 2]" 3
866 1 35 GLN HE21 1 44 SER HA . . 3.930 3.552 2.950 3.941 0.011 6 0 "[ . 1 . 2]" 3
867 1 44 SER HA 1 46 VAL H . . 4.680 4.485 4.112 4.683 0.003 17 0 "[ . 1 . 2]" 3
868 1 44 SER H 1 44 SER HB2 . . 3.790 2.979 2.253 3.603 . 0 0 "[ . 1 . 2]" 3
869 1 35 GLN HE22 1 44 SER HB2 . . 4.850 3.281 2.204 4.241 . 0 0 "[ . 1 . 2]" 3
870 1 35 GLN HE22 1 44 SER HB3 . . 4.850 3.286 1.989 4.632 . 0 0 "[ . 1 . 2]" 3
871 1 44 SER H 1 44 SER HB3 . . 3.790 2.740 2.457 3.599 . 0 0 "[ . 1 . 2]" 3
872 1 45 SER HA 1 48 ASP HB2 . . 3.800 2.991 2.657 3.426 . 0 0 "[ . 1 . 2]" 3
873 1 45 SER HA 1 48 ASP HB3 . . 4.350 3.483 2.684 4.352 0.002 19 0 "[ . 1 . 2]" 3
874 1 45 SER HA 1 47 ILE H . . 4.580 4.537 4.414 4.587 0.007 5 0 "[ . 1 . 2]" 3
875 1 45 SER HA 1 48 ASP H . . 4.200 3.730 3.425 3.912 . 0 0 "[ . 1 . 2]" 3
876 1 45 SER QB 1 46 VAL H . . 4.160 2.363 2.090 3.232 . 0 0 "[ . 1 . 2]" 3
877 1 42 ILE MG 1 46 VAL MG2 . . 3.380 2.909 2.740 3.094 . 0 0 "[ . 1 . 2]" 3
878 1 46 VAL MG2 1 53 TRP HB2 . . 4.160 3.876 3.560 4.133 . 0 0 "[ . 1 . 2]" 3
879 1 46 VAL HA 1 46 VAL MG2 . . 3.120 2.368 2.266 2.445 . 0 0 "[ . 1 . 2]" 3
880 1 46 VAL MG2 1 53 TRP HA . . 5.010 4.714 4.455 5.007 . 0 0 "[ . 1 . 2]" 3
881 1 46 VAL MG2 1 47 ILE H . . 4.030 3.771 3.729 3.826 . 0 0 "[ . 1 . 2]" 3
882 1 46 VAL H 1 46 VAL MG2 . . 3.880 2.009 1.883 2.228 . 0 0 "[ . 1 . 2]" 3
883 1 46 VAL MG2 1 53 TRP HE1 . . 4.600 4.099 3.731 4.508 . 0 0 "[ . 1 . 2]" 3
884 1 24 VAL MG1 1 47 ILE HA . . 4.740 4.301 3.936 4.658 . 0 0 "[ . 1 . 2]" 3
885 1 24 VAL MG2 1 47 ILE HA . . 4.980 3.887 3.537 4.299 . 0 0 "[ . 1 . 2]" 3
886 1 47 ILE HA 1 47 ILE MD . . 3.910 3.866 3.850 3.882 . 0 0 "[ . 1 . 2]" 3
887 1 47 ILE HA 1 47 ILE MG . . 2.940 2.373 2.308 2.457 . 0 0 "[ . 1 . 2]" 3
888 1 47 ILE HA 1 47 ILE HG12 . . 3.310 2.628 2.588 2.701 . 0 0 "[ . 1 . 2]" 3
889 1 47 ILE HA 1 47 ILE HG13 . . 3.570 2.882 2.816 2.933 . 0 0 "[ . 1 . 2]" 3
890 1 47 ILE HA 1 48 ASP HA . . 4.930 4.895 4.821 4.956 0.026 14 0 "[ . 1 . 2]" 3
891 1 47 ILE HA 1 49 SER H . . 4.630 4.413 4.197 4.585 . 0 0 "[ . 1 . 2]" 3
892 1 24 VAL MG2 1 47 ILE HG12 . . 3.780 2.025 1.800 2.302 . 0 0 "[ . 1 . 2]" 3
893 1 24 VAL HA 1 47 ILE HG12 . . 4.250 4.142 3.754 4.255 0.005 6 0 "[ . 1 . 2]" 3
894 1 47 ILE H 1 47 ILE HG12 . . 3.490 3.459 3.353 3.497 0.007 5 0 "[ . 1 . 2]" 3
895 1 24 VAL MG2 1 47 ILE HG13 . . 3.920 2.666 2.338 2.890 . 0 0 "[ . 1 . 2]" 3
896 1 35 GLN HG3 1 47 ILE MD . . 3.970 2.785 2.537 3.179 . 0 0 "[ . 1 . 2]" 3
897 1 44 SER HA 1 47 ILE MD . . 3.390 2.418 2.163 2.759 . 0 0 "[ . 1 . 2]" 3
898 1 35 GLN HE22 1 47 ILE MD . . 4.320 3.156 2.476 3.667 . 0 0 "[ . 1 . 2]" 3
899 1 47 ILE H 1 47 ILE MD . . 3.950 3.409 3.289 3.485 . 0 0 "[ . 1 . 2]" 3
900 1 35 GLN HE21 1 47 ILE MD . . 4.480 3.402 2.454 3.919 . 0 0 "[ . 1 . 2]" 3
901 1 47 ILE MG 1 48 ASP HA . . 4.100 3.261 3.111 3.424 . 0 0 "[ . 1 . 2]" 3
902 1 51 GLU H 1 51 GLU HB3 . . 3.560 3.532 3.502 3.563 0.003 11 0 "[ . 1 . 2]" 3
903 1 52 LYS H 1 52 LYS HG3 . . 4.110 3.354 2.073 3.927 . 0 0 "[ . 1 . 2]" 3
904 1 65 LYS HA 1 65 LYS QG . . 3.720 2.713 2.243 3.441 . 0 0 "[ . 1 . 2]" 3
905 1 46 VAL MG1 1 53 TRP HA . . 5.010 3.381 3.179 3.642 . 0 0 "[ . 1 . 2]" 3
906 1 53 TRP HA 1 54 LEU H . . 2.620 2.288 2.201 2.401 . 0 0 "[ . 1 . 2]" 3
907 1 24 VAL MG1 1 53 TRP HB2 . . 3.880 3.295 2.929 3.761 . 0 0 "[ . 1 . 2]" 3
908 1 53 TRP HB2 1 53 TRP HD1 . . 3.360 2.662 2.609 2.721 . 0 0 "[ . 1 . 2]" 3
909 1 53 TRP H 1 53 TRP HB2 . . 3.430 3.157 2.935 3.451 0.021 17 0 "[ . 1 . 2]" 3
910 1 54 LEU HA 1 54 LEU MD2 . . 3.980 2.496 2.103 2.903 . 0 0 "[ . 1 . 2]" 3
911 1 28 LYS HB3 1 54 LEU HA . . 5.200 4.780 4.598 5.012 . 0 0 "[ . 1 . 2]" 3
912 1 54 LEU HA 1 58 CYS HB2 . . 4.270 3.916 3.789 4.087 . 0 0 "[ . 1 . 2]" 3
913 1 26 CYS HA 1 54 LEU HA . . 4.040 3.104 2.862 3.382 . 0 0 "[ . 1 . 2]" 3
914 1 54 LEU HA 1 55 CYS H . . 2.760 2.246 2.171 2.320 . 0 0 "[ . 1 . 2]" 3
915 1 27 ASP H 1 54 LEU HA . . 3.860 3.015 2.590 3.582 . 0 0 "[ . 1 . 2]" 3
916 1 27 ASP HB3 1 54 LEU HG . . 5.170 3.941 2.604 5.172 0.002 8 0 "[ . 1 . 2]" 3
917 1 28 LYS HB3 1 54 LEU HG . . 5.500 5.179 4.864 5.469 . 0 0 "[ . 1 . 2]" 3
918 1 53 TRP HA 1 54 LEU HG . . 5.500 4.758 3.946 5.574 0.074 17 0 "[ . 1 . 2]" 3
919 1 54 LEU HA 1 54 LEU HG . . 3.780 3.155 2.599 3.757 . 0 0 "[ . 1 . 2]" 3
920 1 54 LEU H 1 54 LEU HG . . 4.440 3.889 3.354 4.446 0.006 14 0 "[ . 1 . 2]" 3
921 1 28 LYS H 1 54 LEU HG . . 5.090 4.410 3.637 5.103 0.013 20 0 "[ . 1 . 2]" 3
922 1 27 ASP HB3 1 54 LEU MD1 . . 3.950 3.184 2.102 3.927 . 0 0 "[ . 1 . 2]" 3
923 1 27 ASP HB2 1 54 LEU MD1 . . 4.780 4.283 3.388 4.785 0.005 15 0 "[ . 1 . 2]" 3
924 1 21 ASN HB2 1 36 LEU MD1 . . 3.950 2.037 1.920 2.195 . 0 0 "[ . 1 . 2]" 3
925 1 36 LEU HA 1 36 LEU MD1 . . 4.040 3.848 3.798 3.900 . 0 0 "[ . 1 . 2]" 3
926 1 54 LEU HA 1 54 LEU MD1 . . 3.980 3.065 2.027 3.874 . 0 0 "[ . 1 . 2]" 3
927 1 21 ASN HD22 1 36 LEU MD1 . . 4.180 2.731 2.061 3.865 . 0 0 "[ . 1 . 2]" 3
928 1 21 ASN HD21 1 36 LEU MD1 . . 4.070 2.645 2.079 4.087 0.017 15 0 "[ . 1 . 2]" 3
929 1 36 LEU H 1 36 LEU MD1 . . 4.260 3.839 3.656 4.015 . 0 0 "[ . 1 . 2]" 3
930 1 56 ARG HB2 1 56 ARG QD . . 3.650 2.310 2.091 2.629 . 0 0 "[ . 1 . 2]" 3
931 1 56 ARG H 1 56 ARG HB2 . . 3.450 2.517 2.264 2.682 . 0 0 "[ . 1 . 2]" 3
932 1 56 ARG HB3 1 56 ARG QD . . 3.650 2.715 2.174 3.281 . 0 0 "[ . 1 . 2]" 3
933 1 56 ARG HB3 1 57 GLN H . . 4.340 2.268 2.106 2.609 . 0 0 "[ . 1 . 2]" 3
934 1 56 ARG H 1 56 ARG HB3 . . 3.450 2.573 2.377 2.878 . 0 0 "[ . 1 . 2]" 3
935 1 39 THR MG 1 56 ARG QD . . 4.600 4.124 3.671 4.594 . 0 0 "[ . 1 . 2]" 3
936 1 56 ARG QD 1 57 GLN H . . 4.880 4.448 3.763 4.800 . 0 0 "[ . 1 . 2]" 3
937 1 58 CYS HA 1 59 VAL MG2 . . 5.500 5.027 4.950 5.208 . 0 0 "[ . 1 . 2]" 3
938 1 58 CYS HA 1 61 ALA MB . . 3.210 2.929 2.310 3.213 0.003 16 0 "[ . 1 . 2]" 3
939 1 28 LYS QD 1 58 CYS HA . . 4.280 3.596 2.995 3.835 . 0 0 "[ . 1 . 2]" 3
940 1 59 VAL HA 1 62 THR HB . . 4.460 3.647 2.790 4.470 0.010 20 0 "[ . 1 . 2]" 3
941 1 59 VAL H 1 59 VAL MG2 . . 3.060 2.090 1.938 2.279 . 0 0 "[ . 1 . 2]" 3
942 1 57 GLN HA 1 60 PHE HB2 . . 4.180 3.960 3.666 4.164 . 0 0 "[ . 1 . 2]" 3
943 1 60 PHE H 1 60 PHE HB2 . . 3.300 2.356 2.269 2.589 . 0 0 "[ . 1 . 2]" 3
944 1 57 GLN HA 1 60 PHE HB3 . . 4.180 3.599 3.336 3.910 . 0 0 "[ . 1 . 2]" 3
945 1 6 SER HA 1 8 VAL QG . . 4.670 3.933 3.352 4.388 . 0 0 "[ . 1 . 2]" 3
946 1 6 SER QB 1 8 VAL QG . . 3.850 2.919 2.066 3.855 0.005 14 0 "[ . 1 . 2]" 3
947 1 7 GLY H 1 8 VAL QG . . 4.870 3.105 2.167 3.819 . 0 0 "[ . 1 . 2]" 3
948 1 7 GLY QA 1 8 VAL QG . . 4.310 3.487 3.282 3.666 . 0 0 "[ . 1 . 2]" 3
949 1 8 VAL H 1 8 VAL QG . . 3.210 2.232 1.946 2.594 . 0 0 "[ . 1 . 2]" 3
950 1 8 VAL HA 1 8 VAL QG . . 2.850 1.999 1.952 2.068 . 0 0 "[ . 1 . 2]" 3
951 1 8 VAL HA 1 15 GLU QG . . 3.600 2.731 2.571 2.909 . 0 0 "[ . 1 . 2]" 3
952 1 8 VAL QG 1 9 CYS H . . 3.570 1.920 1.799 2.110 . 0 0 "[ . 1 . 2]" 3
953 1 8 VAL QG 1 9 CYS HA . . 4.880 4.113 3.962 4.241 . 0 0 "[ . 1 . 2]" 3
954 1 8 VAL QG 1 9 CYS HB3 . . 4.690 3.439 3.188 3.686 . 0 0 "[ . 1 . 2]" 3
955 1 8 VAL QG 1 13 GLN H . . 4.410 4.087 3.830 4.339 . 0 0 "[ . 1 . 2]" 3
956 1 8 VAL QG 1 13 GLN HA . . 3.030 2.435 2.176 2.800 . 0 0 "[ . 1 . 2]" 3
957 1 8 VAL QG 1 13 GLN QB . . 3.870 3.164 2.840 3.307 . 0 0 "[ . 1 . 2]" 3
958 1 8 VAL QG 1 13 GLN QG . . 4.320 4.067 3.421 4.329 0.009 6 0 "[ . 1 . 2]" 3
959 1 8 VAL QG 1 14 GLU H . . 4.520 2.627 2.491 2.949 . 0 0 "[ . 1 . 2]" 3
960 1 8 VAL QG 1 14 GLU HA . . 4.730 2.696 2.561 2.863 . 0 0 "[ . 1 . 2]" 3
961 1 8 VAL QG 1 15 GLU H . . 4.690 2.659 2.560 2.917 . 0 0 "[ . 1 . 2]" 3
962 1 8 VAL QG 1 15 GLU HA . . 3.940 2.374 2.191 2.819 . 0 0 "[ . 1 . 2]" 3
963 1 8 VAL QG 1 15 GLU HB2 . . 4.430 3.389 3.177 3.888 . 0 0 "[ . 1 . 2]" 3
964 1 8 VAL QG 1 15 GLU HB3 . . 4.730 3.772 3.631 4.033 . 0 0 "[ . 1 . 2]" 3
965 1 8 VAL QG 1 15 GLU QG . . 3.440 1.819 1.694 2.098 . 0 0 "[ . 1 . 2]" 3
966 1 9 CYS H 1 15 GLU QG . . 4.520 4.209 3.987 4.351 . 0 0 "[ . 1 . 2]" 3
967 1 10 THR MG 1 31 GLN QG . . 4.740 4.057 3.415 4.306 . 0 0 "[ . 1 . 2]" 3
968 1 11 ILE MG 1 12 CYS QB . . 4.810 3.311 3.030 3.538 . 0 0 "[ . 1 . 2]" 3
969 1 12 CYS H 1 12 CYS QB . . 3.250 2.831 2.711 2.902 . 0 0 "[ . 1 . 2]" 3
970 1 12 CYS QB 1 14 GLU HG2 . . 4.130 3.194 2.833 3.713 . 0 0 "[ . 1 . 2]" 3
971 1 12 CYS QB 1 14 GLU HG3 . . 4.250 3.258 2.304 3.454 . 0 0 "[ . 1 . 2]" 3
972 1 13 GLN H 1 13 GLN QG . . 3.600 3.021 2.678 3.520 . 0 0 "[ . 1 . 2]" 3
973 1 13 GLN HA 1 13 GLN QG . . 3.240 2.526 2.138 3.124 . 0 0 "[ . 1 . 2]" 3
974 1 13 GLN HA 1 13 GLN QE . . 4.790 3.812 2.536 4.450 . 0 0 "[ . 1 . 2]" 3
975 1 15 GLU HA 1 15 GLU QG . . 3.510 2.240 2.126 2.372 . 0 0 "[ . 1 . 2]" 3
976 1 15 GLU QG 1 16 TYR H . . 4.600 4.422 4.318 4.560 . 0 0 "[ . 1 . 2]" 3
977 1 16 TYR QE 1 21 ASN QB . . 3.950 3.293 2.435 3.940 . 0 0 "[ . 1 . 2]" 3
978 1 17 SER H 1 17 SER QB . . 3.500 3.005 2.553 3.181 . 0 0 "[ . 1 . 2]" 3
979 1 17 SER QB 1 18 GLU H . . 4.160 3.429 3.004 3.933 . 0 0 "[ . 1 . 2]" 3
980 1 17 SER QB 1 18 GLU HA . . 4.870 4.369 4.097 4.710 . 0 0 "[ . 1 . 2]" 3
981 1 17 SER QB 1 22 GLU HA . . 4.160 2.797 2.061 4.015 . 0 0 "[ . 1 . 2]" 3
982 1 17 SER QB 1 23 MET H . . 3.430 2.477 2.121 3.361 . 0 0 "[ . 1 . 2]" 3
983 1 17 SER QB 1 23 MET QB . . 2.930 2.206 1.905 2.646 . 0 0 "[ . 1 . 2]" 3
984 1 17 SER QB 1 23 MET QG . . 4.820 4.035 3.663 4.582 . 0 0 "[ . 1 . 2]" 3
985 1 17 SER QB 1 23 MET ME . . 3.850 3.327 2.794 3.822 . 0 0 "[ . 1 . 2]" 3
986 1 17 SER QB 1 34 HIS HD2 . . 4.600 3.388 2.744 4.044 . 0 0 "[ . 1 . 2]" 3
987 1 19 ALA HA 1 20 PRO QB . . 4.270 3.966 3.920 4.031 . 0 0 "[ . 1 . 2]" 3
988 1 19 ALA MB 1 20 PRO QB . . 3.850 3.526 3.434 3.640 . 0 0 "[ . 1 . 2]" 3
989 1 19 ALA MB 1 20 PRO QD . . 4.470 3.588 3.533 3.685 . 0 0 "[ . 1 . 2]" 3
990 1 20 PRO HG2 1 21 ASN QB . . 4.540 3.755 3.664 3.881 . 0 0 "[ . 1 . 2]" 3
991 1 20 PRO QD 1 21 ASN H . . 3.910 2.901 2.868 2.924 . 0 0 "[ . 1 . 2]" 3
992 1 21 ASN H 1 21 ASN QB . . 3.270 2.331 2.278 2.355 . 0 0 "[ . 1 . 2]" 3
993 1 21 ASN QB 1 21 ASN HD21 . . 3.020 2.317 2.230 2.733 . 0 0 "[ . 1 . 2]" 3
994 1 21 ASN QB 1 21 ASN HD22 . . 3.520 3.250 3.213 3.462 . 0 0 "[ . 1 . 2]" 3
995 1 21 ASN QB 1 36 LEU HB2 . . 4.990 3.989 3.535 4.384 . 0 0 "[ . 1 . 2]" 3
996 1 21 ASN QB 1 36 LEU HG . . 3.790 2.894 2.370 3.216 . 0 0 "[ . 1 . 2]" 3
997 1 21 ASN QB 1 36 LEU MD1 . . 3.300 2.019 1.902 2.168 . 0 0 "[ . 1 . 2]" 3
998 1 23 MET H 1 23 MET QB . . 3.040 2.396 2.330 2.504 . 0 0 "[ . 1 . 2]" 3
999 1 23 MET H 1 23 MET QG . . 4.260 4.004 3.935 4.073 . 0 0 "[ . 1 . 2]" 3
1000 1 23 MET HA 1 23 MET QG . . 3.560 2.528 2.381 2.770 . 0 0 "[ . 1 . 2]" 3
1001 1 23 MET QB 1 24 VAL H . . 4.010 3.542 3.348 3.786 . 0 0 "[ . 1 . 2]" 3
1002 1 23 MET QB 1 34 HIS HD2 . . 3.930 2.361 1.983 2.879 . 0 0 "[ . 1 . 2]" 3
1003 1 23 MET QG 1 24 VAL HA . . 3.940 3.560 3.406 3.776 . 0 0 "[ . 1 . 2]" 3
1004 1 23 MET QG 1 25 ILE MD . . 3.630 2.669 2.256 3.031 . 0 0 "[ . 1 . 2]" 3
1005 1 23 MET QG 1 32 GLY HA2 . . 4.090 3.394 3.084 3.964 . 0 0 "[ . 1 . 2]" 3
1006 1 23 MET QG 1 32 GLY HA3 . . 3.800 2.827 2.509 3.337 . 0 0 "[ . 1 . 2]" 3
1007 1 23 MET QG 1 33 TYR H . . 3.990 2.922 2.543 3.396 . 0 0 "[ . 1 . 2]" 3
1008 1 23 MET QG 1 34 HIS HD2 . . 4.590 3.675 3.279 4.505 . 0 0 "[ . 1 . 2]" 3
1009 1 25 ILE MG 1 30 GLY QA . . 2.910 2.464 2.227 2.651 . 0 0 "[ . 1 . 2]" 3
1010 1 26 CYS HB2 1 54 LEU QD . . 4.690 4.342 4.169 4.557 . 0 0 "[ . 1 . 2]" 3
1011 1 27 ASP H 1 54 LEU QD . . 3.830 2.737 2.339 3.219 . 0 0 "[ . 1 . 2]" 3
1012 1 27 ASP HB2 1 52 LYS QB . . 3.360 2.676 2.092 3.187 . 0 0 "[ . 1 . 2]" 3
1013 1 27 ASP HB2 1 54 LEU QD . . 3.740 3.420 2.976 3.745 0.005 13 0 "[ . 1 . 2]" 3
1014 1 27 ASP HB3 1 52 LYS QB . . 3.720 3.448 3.036 3.725 0.005 11 0 "[ . 1 . 2]" 3
1015 1 27 ASP HB3 1 54 LEU QD . . 3.090 2.360 2.000 2.688 . 0 0 "[ . 1 . 2]" 3
1016 1 28 LYS H 1 54 LEU QD . . 3.440 2.053 1.856 2.266 . 0 0 "[ . 1 . 2]" 3
1017 1 28 LYS HA 1 54 LEU QD . . 4.030 3.608 3.321 3.828 . 0 0 "[ . 1 . 2]" 3
1018 1 28 LYS HB2 1 54 LEU QD . . 3.020 2.089 1.844 2.303 . 0 0 "[ . 1 . 2]" 3
1019 1 28 LYS HB3 1 54 LEU QD . . 3.500 2.536 2.250 2.869 . 0 0 "[ . 1 . 2]" 3
1020 1 28 LYS QE 1 28 LYS QG . . 3.430 2.238 2.047 2.585 . 0 0 "[ . 1 . 2]" 3
1021 1 28 LYS QG 1 29 CYS QB . . 4.630 4.288 3.322 4.487 . 0 0 "[ . 1 . 2]" 3
1022 1 28 LYS QD 1 54 LEU QD . . 3.820 2.941 2.590 3.171 . 0 0 "[ . 1 . 2]" 3
1023 1 29 CYS H 1 29 CYS QB . . 3.200 2.637 2.521 2.759 . 0 0 "[ . 1 . 2]" 3
1024 1 29 CYS H 1 30 GLY QA . . 4.830 4.557 4.338 4.675 . 0 0 "[ . 1 . 2]" 3
1025 1 29 CYS H 1 54 LEU QD . . 4.370 3.661 3.421 3.894 . 0 0 "[ . 1 . 2]" 3
1026 1 29 CYS QB 1 31 GLN H . . 3.860 2.506 2.326 2.940 . 0 0 "[ . 1 . 2]" 3
1027 1 29 CYS QB 1 31 GLN QG . . 3.910 3.035 2.506 3.504 . 0 0 "[ . 1 . 2]" 3
1028 1 31 GLN H 1 31 GLN QG . . 3.290 2.625 2.072 3.014 . 0 0 "[ . 1 . 2]" 3
1029 1 31 GLN HA 1 31 GLN QG . . 3.230 2.402 2.231 2.757 . 0 0 "[ . 1 . 2]" 3
1030 1 31 GLN HB2 1 31 GLN QE . . 4.560 3.320 2.181 4.198 . 0 0 "[ . 1 . 2]" 3
1031 1 31 GLN QG 1 32 GLY H . . 4.860 3.901 3.567 4.440 . 0 0 "[ . 1 . 2]" 3
1032 1 31 GLN QG 1 33 TYR QE . . 5.010 4.104 3.683 4.494 . 0 0 "[ . 1 . 2]" 3
1033 1 35 GLN HE22 1 44 SER QB . . 4.060 2.578 1.975 3.926 . 0 0 "[ . 1 . 2]" 3
1034 1 38 HIS HE1 1 56 ARG QB . . 3.260 2.752 2.299 3.149 . 0 0 "[ . 1 . 2]" 3
1035 1 39 THR MG 1 40 PRO QB . . 4.380 3.346 3.202 3.442 . 0 0 "[ . 1 . 2]" 3
1036 1 42 ILE MG 1 46 VAL QG . . 2.820 2.678 2.525 2.818 . 0 0 "[ . 1 . 2]" 3
1037 1 42 ILE MD 1 46 VAL QG . . 5.070 4.365 4.028 4.574 . 0 0 "[ . 1 . 2]" 3
1038 1 43 ASP H 1 46 VAL QG . . 4.040 3.183 2.806 3.379 . 0 0 "[ . 1 . 2]" 3
1039 1 43 ASP QB 1 46 VAL QG . . 3.580 2.607 2.159 2.864 . 0 0 "[ . 1 . 2]" 3
1040 1 44 SER H 1 44 SER QB . . 3.320 2.378 2.175 2.577 . 0 0 "[ . 1 . 2]" 3
1041 1 45 SER H 1 46 VAL QG . . 4.810 4.418 4.226 4.508 . 0 0 "[ . 1 . 2]" 3
1042 1 46 VAL H 1 46 VAL QG . . 2.910 2.001 1.878 2.213 . 0 0 "[ . 1 . 2]" 3
1043 1 46 VAL HA 1 51 GLU QB . . 4.090 3.979 3.520 4.126 0.036 17 0 "[ . 1 . 2]" 3
1044 1 46 VAL QG 1 47 ILE HA . . 4.210 3.364 3.221 3.555 . 0 0 "[ . 1 . 2]" 3
1045 1 46 VAL QG 1 49 SER H . . 5.440 4.597 4.423 4.791 . 0 0 "[ . 1 . 2]" 3
1046 1 46 VAL QG 1 51 GLU QB . . 3.840 3.517 3.236 3.710 . 0 0 "[ . 1 . 2]" 3
1047 1 46 VAL QG 1 53 TRP H . . 4.700 4.206 3.956 4.553 . 0 0 "[ . 1 . 2]" 3
1048 1 46 VAL QG 1 53 TRP HA . . 3.920 3.308 3.124 3.547 . 0 0 "[ . 1 . 2]" 3
1049 1 46 VAL QG 1 53 TRP HB2 . . 3.280 1.929 1.818 2.075 . 0 0 "[ . 1 . 2]" 3
1050 1 46 VAL QG 1 53 TRP HB3 . . 3.890 3.097 2.687 3.375 . 0 0 "[ . 1 . 2]" 3
1051 1 46 VAL QG 1 53 TRP HD1 . . 3.150 2.111 1.823 2.532 . 0 0 "[ . 1 . 2]" 3
1052 1 46 VAL QG 1 53 TRP HE3 . . 5.280 4.832 4.537 5.087 . 0 0 "[ . 1 . 2]" 3
1053 1 48 ASP HB2 1 49 SER QB . . 5.340 4.932 4.173 5.343 0.003 16 0 "[ . 1 . 2]" 3
1054 1 49 SER H 1 49 SER QB . . 3.080 2.263 2.143 2.460 . 0 0 "[ . 1 . 2]" 3
1055 1 49 SER QB 1 50 ASP H . . 3.460 2.859 2.103 3.195 . 0 0 "[ . 1 . 2]" 3
1056 1 50 ASP H 1 50 ASP QB . . 3.500 2.573 2.273 2.947 . 0 0 "[ . 1 . 2]" 3
1057 1 50 ASP QB 1 51 GLU H . . 4.040 3.767 2.885 4.056 0.016 12 0 "[ . 1 . 2]" 3
1058 1 51 GLU H 1 51 GLU QB . . 2.930 2.234 2.178 2.276 . 0 0 "[ . 1 . 2]" 3
1059 1 51 GLU H 1 51 GLU QG . . 3.450 2.952 2.653 3.472 0.022 8 0 "[ . 1 . 2]" 3
1060 1 51 GLU HA 1 51 GLU QG . . 3.240 2.380 2.188 2.698 . 0 0 "[ . 1 . 2]" 3
1061 1 51 GLU QB 1 52 LYS H . . 3.430 2.541 1.938 3.202 . 0 0 "[ . 1 . 2]" 3
1062 1 52 LYS H 1 52 LYS QB . . 3.050 2.447 2.261 2.792 . 0 0 "[ . 1 . 2]" 3
1063 1 52 LYS H 1 52 LYS QG . . 3.340 2.669 1.940 3.344 0.004 10 0 "[ . 1 . 2]" 3
1064 1 52 LYS H 1 52 LYS QD . . 4.240 3.057 1.859 4.250 0.010 5 0 "[ . 1 . 2]" 3
1065 1 52 LYS HA 1 52 LYS QG . . 3.600 2.826 2.213 3.438 . 0 0 "[ . 1 . 2]" 3
1066 1 52 LYS HA 1 52 LYS QD . . 3.840 3.167 2.151 3.830 . 0 0 "[ . 1 . 2]" 3
1067 1 52 LYS QB 1 53 TRP H . . 3.520 3.010 2.398 3.485 . 0 0 "[ . 1 . 2]" 3
1068 1 53 TRP H 1 54 LEU QD . . 5.410 4.273 3.361 5.112 . 0 0 "[ . 1 . 2]" 3
1069 1 53 TRP HA 1 54 LEU QD . . 4.530 3.627 2.643 4.520 . 0 0 "[ . 1 . 2]" 3
1070 1 53 TRP HE3 1 54 LEU QD . . 5.440 4.663 4.214 5.188 . 0 0 "[ . 1 . 2]" 3
1071 1 54 LEU H 1 54 LEU QD . . 3.830 3.101 2.287 3.753 . 0 0 "[ . 1 . 2]" 3
1072 1 54 LEU HA 1 54 LEU QD . . 2.980 2.182 1.988 2.547 . 0 0 "[ . 1 . 2]" 3
1073 1 54 LEU HB3 1 54 LEU QD . . 3.120 2.149 1.962 2.280 . 0 0 "[ . 1 . 2]" 3
1074 1 54 LEU QD 1 55 CYS H . . 4.190 3.004 2.739 3.227 . 0 0 "[ . 1 . 2]" 3
1075 1 54 LEU QD 1 58 CYS HA . . 5.440 4.389 3.996 4.952 . 0 0 "[ . 1 . 2]" 3
1076 1 54 LEU QD 1 58 CYS HB2 . . 3.790 2.771 2.380 3.075 . 0 0 "[ . 1 . 2]" 3
1077 1 54 LEU QD 1 58 CYS HB3 . . 3.510 2.427 1.984 2.911 . 0 0 "[ . 1 . 2]" 3
1078 1 55 CYS HA 1 56 ARG QB . . 4.770 4.291 4.211 4.367 . 0 0 "[ . 1 . 2]" 3
1079 1 56 ARG QB 1 57 GLN H . . 3.600 2.249 2.091 2.574 . 0 0 "[ . 1 . 2]" 3
1080 1 56 ARG QG 1 57 GLN QG . . 4.640 3.998 3.335 4.644 0.004 12 0 "[ . 1 . 2]" 3
1081 1 57 GLN H 1 57 GLN QG . . 3.310 2.408 1.990 3.264 . 0 0 "[ . 1 . 2]" 3
1082 1 57 GLN HA 1 60 PHE QB . . 3.660 3.334 3.121 3.527 . 0 0 "[ . 1 . 2]" 3
1083 1 57 GLN QG 1 58 CYS H . . 5.340 4.224 3.886 4.517 . 0 0 "[ . 1 . 2]" 3
1084 1 60 PHE H 1 60 PHE QB . . 2.790 2.229 2.185 2.321 . 0 0 "[ . 1 . 2]" 3
1085 1 60 PHE QB 1 61 ALA H . . 3.630 2.567 2.155 2.825 . 0 0 "[ . 1 . 2]" 3
1086 1 66 ARG H 1 66 ARG QB . . 3.650 2.449 2.203 3.287 . 0 0 "[ . 1 . 2]" 3
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