NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507341 |
2ee8   |
10148 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee8
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 36
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 1.645
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0016
_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 20 CYS 0.008 0.002 18 0 "[ . 1 . 2]"
1 23 CYS 0.008 0.002 2 0 "[ . 1 . 2]"
1 36 HIS 0.006 0.003 4 0 "[ . 1 . 2]"
1 40 HIS 0.003 0.002 10 0 "[ . 1 . 2]"
1 48 CYS 0.026 0.006 17 0 "[ . 1 . 2]"
1 51 CYS 0.013 0.004 9 0 "[ . 1 . 2]"
1 64 HIS 0.022 0.006 17 0 "[ . 1 . 2]"
1 68 HIS 0.021 0.005 17 0 "[ . 1 . 2]"
1 76 CYS 0.004 0.002 16 0 "[ . 1 . 2]"
1 79 CYS 0.006 0.002 13 0 "[ . 1 . 2]"
1 92 HIS 0.007 0.003 11 0 "[ . 1 . 2]"
1 96 HIS 0.003 0.002 13 0 "[ . 1 . 2]"
2 1 ZN 0.012 0.003 4 0 "[ . 1 . 2]"
3 1 ZN 0.018 0.005 17 0 "[ . 1 . 2]"
4 1 ZN 0.008 0.003 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 CYS SG 2 1 ZN ZN . 2.190 2.390 2.344 2.238 2.391 0.001 8 0 "[ . 1 . 2]" 1
2 1 23 CYS SG 2 1 ZN ZN . 2.190 2.390 2.269 2.188 2.368 0.002 2 0 "[ . 1 . 2]" 1
3 1 36 HIS NE2 2 1 ZN ZN . . 2.100 2.029 1.927 2.103 0.003 4 0 "[ . 1 . 2]" 1
4 1 40 HIS NE2 2 1 ZN ZN . . 2.100 1.958 1.898 2.076 0.002 10 0 "[ . 1 . 2]" 1
5 1 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.300 3.249 3.381 0.001 12 0 "[ . 1 . 2]" 1
6 1 23 CYS CB 2 1 ZN ZN . 3.250 3.510 3.438 3.301 3.505 . 0 0 "[ . 1 . 2]" 1
7 1 20 CYS SG 1 23 CYS SG . 3.560 3.960 3.859 3.577 3.962 0.002 18 0 "[ . 1 . 2]" 1
8 1 20 CYS SG 1 36 HIS NE2 . 3.320 3.720 3.533 3.337 3.714 . 0 0 "[ . 1 . 2]" 1
9 1 20 CYS SG 1 40 HIS NE2 . 3.320 3.720 3.617 3.458 3.721 0.001 4 0 "[ . 1 . 2]" 1
10 1 23 CYS SG 1 36 HIS NE2 . 3.320 3.720 3.361 3.319 3.533 0.001 15 0 "[ . 1 . 2]" 1
11 1 23 CYS SG 1 40 HIS NE2 . 3.320 3.720 3.568 3.390 3.718 . 0 0 "[ . 1 . 2]" 1
12 1 36 HIS NE2 1 40 HIS NE2 . 3.000 3.600 3.067 2.999 3.235 0.001 20 0 "[ . 1 . 2]" 1
13 1 48 CYS SG 3 1 ZN ZN . 2.190 2.390 2.342 2.217 2.395 0.005 17 0 "[ . 1 . 2]" 1
14 1 51 CYS SG 3 1 ZN ZN . 2.190 2.390 2.256 2.189 2.389 0.001 9 0 "[ . 1 . 2]" 1
15 1 64 HIS NE2 3 1 ZN ZN . . 2.100 2.060 1.921 2.103 0.003 4 0 "[ . 1 . 2]" 1
16 1 68 HIS NE2 3 1 ZN ZN . . 2.100 2.021 1.902 2.100 0.000 1 0 "[ . 1 . 2]" 1
17 1 48 CYS CB 3 1 ZN ZN . 3.250 3.510 3.369 3.247 3.509 0.003 15 0 "[ . 1 . 2]" 1
18 1 51 CYS CB 3 1 ZN ZN . 3.250 3.510 3.465 3.259 3.512 0.002 6 0 "[ . 1 . 2]" 1
19 1 48 CYS SG 1 51 CYS SG . 3.560 3.960 3.596 3.556 3.800 0.004 9 0 "[ . 1 . 2]" 1
20 1 48 CYS SG 1 64 HIS NE2 . 3.320 3.720 3.616 3.382 3.726 0.006 17 0 "[ . 1 . 2]" 1
21 1 48 CYS SG 1 68 HIS NE2 . 3.320 3.720 3.422 3.317 3.685 0.003 8 0 "[ . 1 . 2]" 1
22 1 51 CYS SG 1 64 HIS NE2 . 3.320 3.720 3.422 3.321 3.697 . 0 0 "[ . 1 . 2]" 1
23 1 51 CYS SG 1 68 HIS NE2 . 3.320 3.720 3.628 3.458 3.722 0.002 6 0 "[ . 1 . 2]" 1
24 1 64 HIS NE2 1 68 HIS NE2 . 3.000 3.600 3.478 3.046 3.605 0.005 17 0 "[ . 1 . 2]" 1
25 1 76 CYS SG 4 1 ZN ZN . 2.190 2.390 2.309 2.192 2.392 0.002 16 0 "[ . 1 . 2]" 1
26 1 79 CYS SG 4 1 ZN ZN . 2.190 2.390 2.258 2.190 2.388 0.000 15 0 "[ . 1 . 2]" 1
27 1 92 HIS NE2 4 1 ZN ZN . . 2.100 2.000 1.897 2.093 0.003 11 0 "[ . 1 . 2]" 1
28 1 96 HIS NE2 4 1 ZN ZN . . 2.100 2.027 1.931 2.097 . 0 0 "[ . 1 . 2]" 1
29 1 76 CYS CB 4 1 ZN ZN . 3.250 3.510 3.326 3.249 3.510 0.001 3 0 "[ . 1 . 2]" 1
30 1 79 CYS CB 4 1 ZN ZN . 3.250 3.510 3.402 3.251 3.511 0.001 5 0 "[ . 1 . 2]" 1
31 1 76 CYS SG 1 79 CYS SG . 3.560 3.960 3.743 3.590 3.925 . 0 0 "[ . 1 . 2]" 1
32 1 76 CYS SG 1 92 HIS NE2 . 3.320 3.720 3.547 3.342 3.720 . 0 0 "[ . 1 . 2]" 1
33 1 76 CYS SG 1 96 HIS NE2 . 3.320 3.720 3.583 3.368 3.709 . 0 0 "[ . 1 . 2]" 1
34 1 79 CYS SG 1 92 HIS NE2 . 3.320 3.720 3.421 3.319 3.714 0.001 15 0 "[ . 1 . 2]" 1
35 1 79 CYS SG 1 96 HIS NE2 . 3.320 3.720 3.615 3.401 3.722 0.002 13 0 "[ . 1 . 2]" 1
36 1 92 HIS NE2 1 96 HIS NE2 . 3.000 3.600 3.102 2.999 3.517 0.001 15 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 1077
_Distance_constraint_stats_list.Viol_count 314
_Distance_constraint_stats_list.Viol_total 143.343
_Distance_constraint_stats_list.Viol_max 0.205
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0228
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 LEU 0.181 0.181 6 0 "[ . 1 . 2]"
1 11 PRO 0.181 0.181 6 0 "[ . 1 . 2]"
1 15 LYS 0.166 0.101 16 0 "[ . 1 . 2]"
1 16 LYS 0.257 0.029 20 0 "[ . 1 . 2]"
1 17 GLU 0.489 0.077 12 0 "[ . 1 . 2]"
1 18 PHE 0.189 0.057 3 0 "[ . 1 . 2]"
1 19 ILE 0.064 0.034 15 0 "[ . 1 . 2]"
1 20 CYS 0.086 0.020 6 0 "[ . 1 . 2]"
1 21 LYS 0.051 0.015 11 0 "[ . 1 . 2]"
1 22 PHE 0.009 0.004 6 0 "[ . 1 . 2]"
1 23 CYS 0.089 0.039 18 0 "[ . 1 . 2]"
1 24 GLY 0.153 0.039 18 0 "[ . 1 . 2]"
1 25 ARG 0.234 0.055 11 0 "[ . 1 . 2]"
1 26 HIS 0.134 0.036 7 0 "[ . 1 . 2]"
1 27 PHE 0.029 0.007 7 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.072 0.047 12 0 "[ . 1 . 2]"
1 30 SER 0.047 0.041 12 0 "[ . 1 . 2]"
1 31 TYR 0.028 0.013 19 0 "[ . 1 . 2]"
1 32 ASN 0.054 0.047 12 0 "[ . 1 . 2]"
1 33 LEU 0.112 0.041 12 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 2 0 "[ . 1 . 2]"
1 35 ILE 0.271 0.068 20 0 "[ . 1 . 2]"
1 36 HIS 0.114 0.056 20 0 "[ . 1 . 2]"
1 37 GLU 0.004 0.002 1 0 "[ . 1 . 2]"
1 38 ARG 0.234 0.068 20 0 "[ . 1 . 2]"
1 39 THR 0.059 0.034 20 0 "[ . 1 . 2]"
1 40 HIS 0.002 0.002 15 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.054 0.036 3 0 "[ . 1 . 2]"
1 43 GLU 0.311 0.072 19 0 "[ . 1 . 2]"
1 44 ARG 0.014 0.008 9 0 "[ . 1 . 2]"
1 45 PRO 0.025 0.014 19 0 "[ . 1 . 2]"
1 46 TYR 0.514 0.065 1 0 "[ . 1 . 2]"
1 47 THR 0.359 0.065 1 0 "[ . 1 . 2]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.030 0.025 6 0 "[ . 1 . 2]"
1 51 CYS 0.025 0.025 6 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.010 0.006 7 0 "[ . 1 . 2]"
1 54 ALA 0.008 0.004 15 0 "[ . 1 . 2]"
1 55 PHE 0.027 0.017 13 0 "[ . 1 . 2]"
1 56 ARG 0.041 0.041 13 0 "[ . 1 . 2]"
1 57 ARG 0.106 0.041 13 0 "[ . 1 . 2]"
1 58 GLN 0.012 0.005 7 0 "[ . 1 . 2]"
1 59 ASP 0.010 0.005 9 0 "[ . 1 . 2]"
1 60 HIS 0.069 0.014 7 0 "[ . 1 . 2]"
1 61 LEU 0.051 0.040 15 0 "[ . 1 . 2]"
1 62 ARG 1.042 0.111 8 0 "[ . 1 . 2]"
1 63 ASP 0.438 0.101 9 0 "[ . 1 . 2]"
1 64 HIS 0.271 0.109 17 0 "[ . 1 . 2]"
1 65 ARG 0.579 0.109 17 0 "[ . 1 . 2]"
1 66 TYR 0.774 0.138 15 0 "[ . 1 . 2]"
1 67 ILE 0.001 0.001 2 0 "[ . 1 . 2]"
1 68 HIS 0.003 0.003 6 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.013 0.013 12 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.138 0.064 9 0 "[ . 1 . 2]"
1 75 LYS 0.338 0.081 12 0 "[ . 1 . 2]"
1 76 CYS 0.058 0.034 11 0 "[ . 1 . 2]"
1 77 GLN 0.006 0.006 7 0 "[ . 1 . 2]"
1 78 GLU 0.011 0.006 7 0 "[ . 1 . 2]"
1 79 CYS 0.004 0.002 15 0 "[ . 1 . 2]"
1 80 GLY 0.003 0.002 2 0 "[ . 1 . 2]"
1 81 LYS 0.069 0.032 16 0 "[ . 1 . 2]"
1 82 GLY 0.017 0.011 19 0 "[ . 1 . 2]"
1 83 PHE 0.045 0.032 16 0 "[ . 1 . 2]"
1 84 CYS 0.138 0.058 18 0 "[ . 1 . 2]"
1 85 GLN 0.138 0.058 18 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ARG 0.063 0.044 13 0 "[ . 1 . 2]"
1 88 THR 0.092 0.041 20 0 "[ . 1 . 2]"
1 89 LEU 0.021 0.012 1 0 "[ . 1 . 2]"
1 90 ALA 0.111 0.028 18 0 "[ . 1 . 2]"
1 91 VAL 0.001 0.001 2 0 "[ . 1 . 2]"
1 92 HIS 0.066 0.041 20 0 "[ . 1 . 2]"
1 93 LYS 0.545 0.146 15 0 "[ . 1 . 2]"
1 94 THR 0.001 0.001 13 0 "[ . 1 . 2]"
1 95 LEU 0.028 0.021 11 0 "[ . 1 . 2]"
1 96 HIS 0.003 0.002 15 0 "[ . 1 . 2]"
1 97 MET 0.001 0.001 13 0 "[ . 1 . 2]"
1 101 SER 0.391 0.205 14 0 "[ . 1 . 2]"
1 102 PRO 0.391 0.205 14 0 "[ . 1 . 2]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ALA 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 16 LYS H 1 16 LYS QD . . 5.500 3.930 1.801 4.979 . 0 0 "[ . 1 . 2]" 2
2 1 16 LYS HA 1 17 GLU H . . 2.900 2.413 2.142 2.922 0.022 10 0 "[ . 1 . 2]" 2
3 1 16 LYS QB 1 17 GLU H . . 3.750 3.294 2.072 3.779 0.029 20 0 "[ . 1 . 2]" 2
4 1 17 GLU H 1 17 GLU HB2 . . 3.990 3.225 2.271 4.067 0.077 12 0 "[ . 1 . 2]" 2
5 1 17 GLU H 1 17 GLU HB3 . . 3.990 3.398 2.587 3.896 . 0 0 "[ . 1 . 2]" 2
6 1 17 GLU H 1 17 GLU HG2 . . 4.530 3.329 2.066 4.528 . 0 0 "[ . 1 . 2]" 2
7 1 17 GLU H 1 17 GLU HG3 . . 4.530 3.605 2.247 4.497 . 0 0 "[ . 1 . 2]" 2
8 1 17 GLU H 1 18 PHE H . . 4.570 4.463 4.350 4.612 0.042 3 0 "[ . 1 . 2]" 2
9 1 17 GLU HA 1 18 PHE H . . 2.950 2.458 2.310 2.573 . 0 0 "[ . 1 . 2]" 2
10 1 17 GLU HB2 1 18 PHE H . . 3.960 2.970 2.082 4.017 0.057 3 0 "[ . 1 . 2]" 2
11 1 17 GLU HB3 1 18 PHE H . . 3.960 3.069 2.159 3.964 0.004 6 0 "[ . 1 . 2]" 2
12 1 17 GLU HG2 1 18 PHE H . . 4.860 4.144 1.892 4.863 0.003 18 0 "[ . 1 . 2]" 2
13 1 17 GLU HG3 1 18 PHE H . . 4.860 4.029 3.249 4.794 . 0 0 "[ . 1 . 2]" 2
14 1 18 PHE H 1 18 PHE HB2 . . 3.880 2.657 2.402 3.592 . 0 0 "[ . 1 . 2]" 2
15 1 18 PHE H 1 18 PHE HB3 . . 3.880 3.710 3.293 3.823 . 0 0 "[ . 1 . 2]" 2
16 1 18 PHE H 1 18 PHE QD . . 3.820 3.079 2.409 3.601 . 0 0 "[ . 1 . 2]" 2
17 1 18 PHE H 1 19 ILE H . . 4.690 4.502 4.404 4.637 . 0 0 "[ . 1 . 2]" 2
18 1 18 PHE H 1 27 PHE H . . 4.780 4.305 3.854 4.720 . 0 0 "[ . 1 . 2]" 2
19 1 18 PHE HA 1 19 ILE H . . 3.160 2.365 2.177 2.612 . 0 0 "[ . 1 . 2]" 2
20 1 18 PHE HB2 1 19 ILE H . . 4.150 3.616 2.888 4.061 . 0 0 "[ . 1 . 2]" 2
21 1 18 PHE HB3 1 19 ILE H . . 4.150 2.622 2.059 3.710 . 0 0 "[ . 1 . 2]" 2
22 1 19 ILE H 1 19 ILE HB . . 3.210 2.772 2.671 2.859 . 0 0 "[ . 1 . 2]" 2
23 1 19 ILE H 1 19 ILE MG . . 4.020 3.882 3.813 3.925 . 0 0 "[ . 1 . 2]" 2
24 1 19 ILE H 1 19 ILE HG12 . . 4.510 4.322 4.109 4.540 0.030 15 0 "[ . 1 . 2]" 2
25 1 19 ILE H 1 19 ILE HG13 . . 3.620 3.073 2.869 3.354 . 0 0 "[ . 1 . 2]" 2
26 1 19 ILE H 1 19 ILE MD . . 4.110 3.966 3.747 4.102 . 0 0 "[ . 1 . 2]" 2
27 1 19 ILE H 1 20 CYS H . . 4.520 4.322 4.236 4.373 . 0 0 "[ . 1 . 2]" 2
28 1 19 ILE H 1 33 LEU MD2 . . 4.030 3.459 3.126 3.761 . 0 0 "[ . 1 . 2]" 2
29 1 19 ILE HA 1 20 CYS H . . 3.360 2.182 2.153 2.219 . 0 0 "[ . 1 . 2]" 2
30 1 19 ILE HA 1 27 PHE H . . 3.900 3.787 3.535 3.900 0.000 20 0 "[ . 1 . 2]" 2
31 1 19 ILE HB 1 20 CYS H . . 4.480 4.084 3.971 4.203 . 0 0 "[ . 1 . 2]" 2
32 1 19 ILE MG 1 20 CYS H . . 3.550 2.239 2.056 2.455 . 0 0 "[ . 1 . 2]" 2
33 1 20 CYS H 1 20 CYS HB3 . . 3.530 2.835 2.646 2.950 . 0 0 "[ . 1 . 2]" 2
34 1 20 CYS H 1 20 CYS HB2 . . 3.550 2.275 2.186 2.428 . 0 0 "[ . 1 . 2]" 2
35 1 20 CYS H 1 21 LYS H . . 4.850 4.635 4.600 4.648 . 0 0 "[ . 1 . 2]" 2
36 1 21 LYS H 1 22 PHE QD . . 4.610 3.205 2.636 3.614 . 0 0 "[ . 1 . 2]" 2
37 1 20 CYS H 1 25 ARG H . . 3.980 2.843 1.809 3.622 . 0 0 "[ . 1 . 2]" 2
38 1 20 CYS H 1 24 GLY H . . 4.520 4.483 4.301 4.540 0.020 6 0 "[ . 1 . 2]" 2
39 1 20 CYS H 1 27 PHE QE . . 4.290 2.553 2.043 3.135 . 0 0 "[ . 1 . 2]" 2
40 1 20 CYS H 1 36 HIS HD2 . . 5.050 4.835 4.470 5.038 . 0 0 "[ . 1 . 2]" 2
41 1 20 CYS H 1 27 PHE QD . . 4.280 3.296 3.063 3.499 . 0 0 "[ . 1 . 2]" 2
42 1 19 ILE HG13 1 20 CYS H . . 5.040 4.802 4.602 4.925 . 0 0 "[ . 1 . 2]" 2
43 1 19 ILE HG12 1 20 CYS H . . 4.600 4.335 4.121 4.519 . 0 0 "[ . 1 . 2]" 2
44 1 20 CYS H 1 26 HIS HA . . 4.150 4.037 3.714 4.166 0.016 11 0 "[ . 1 . 2]" 2
45 1 20 CYS H 1 33 LEU MD1 . . 3.880 2.700 2.464 2.916 . 0 0 "[ . 1 . 2]" 2
46 1 20 CYS HA 1 21 LYS H . . 3.390 2.447 2.342 2.568 . 0 0 "[ . 1 . 2]" 2
47 1 20 CYS HA 1 22 PHE H . . 4.510 4.210 4.055 4.400 . 0 0 "[ . 1 . 2]" 2
48 1 20 CYS HA 1 25 ARG H . . 4.860 4.384 3.826 4.836 . 0 0 "[ . 1 . 2]" 2
49 1 20 CYS HB3 1 21 LYS H . . 4.560 3.277 2.899 3.674 . 0 0 "[ . 1 . 2]" 2
50 1 20 CYS HB2 1 21 LYS H . . 4.040 3.869 3.776 3.927 . 0 0 "[ . 1 . 2]" 2
51 1 20 CYS HB3 1 22 PHE H . . 4.430 3.899 3.625 4.329 . 0 0 "[ . 1 . 2]" 2
52 1 20 CYS HB2 1 22 PHE H . . 5.010 4.843 4.648 4.983 . 0 0 "[ . 1 . 2]" 2
53 1 20 CYS HB3 1 23 CYS H . . 3.740 3.094 2.887 3.408 . 0 0 "[ . 1 . 2]" 2
54 1 20 CYS HB2 1 23 CYS H . . 4.560 4.404 4.287 4.513 . 0 0 "[ . 1 . 2]" 2
55 1 20 CYS HB3 1 24 GLY H . . 3.730 1.928 1.886 2.193 . 0 0 "[ . 1 . 2]" 2
56 1 20 CYS HB2 1 24 GLY H . . 4.160 3.634 3.527 3.882 . 0 0 "[ . 1 . 2]" 2
57 1 20 CYS HB3 1 25 ARG H . . 3.410 1.917 1.893 1.982 . 0 0 "[ . 1 . 2]" 2
58 1 20 CYS HB2 1 25 ARG H . . 3.690 2.647 2.288 3.336 . 0 0 "[ . 1 . 2]" 2
59 1 21 LYS H 1 21 LYS QB . . 3.380 2.891 2.600 3.126 . 0 0 "[ . 1 . 2]" 2
60 1 21 LYS H 1 21 LYS HG2 . . 3.910 2.238 1.952 3.600 . 0 0 "[ . 1 . 2]" 2
61 1 21 LYS H 1 21 LYS HG3 . . 3.910 3.233 2.440 3.919 0.009 15 0 "[ . 1 . 2]" 2
62 1 21 LYS H 1 21 LYS QD . . 4.230 3.765 1.895 4.245 0.015 11 0 "[ . 1 . 2]" 2
63 1 21 LYS H 1 21 LYS QE . . 4.920 4.437 3.766 4.931 0.011 8 0 "[ . 1 . 2]" 2
64 1 21 LYS H 1 22 PHE H . . 3.660 1.930 1.820 1.993 . 0 0 "[ . 1 . 2]" 2
65 1 21 LYS H 1 23 CYS H . . 4.580 3.767 3.601 3.905 . 0 0 "[ . 1 . 2]" 2
66 1 21 LYS H 1 24 GLY H . . 4.920 3.813 3.590 4.103 . 0 0 "[ . 1 . 2]" 2
67 1 21 LYS HA 1 24 GLY H . . 4.570 4.137 3.976 4.339 . 0 0 "[ . 1 . 2]" 2
68 1 21 LYS QB 1 22 PHE H . . 3.660 3.506 3.435 3.599 . 0 0 "[ . 1 . 2]" 2
69 1 21 LYS HG2 1 22 PHE H . . 4.320 2.584 2.065 3.726 . 0 0 "[ . 1 . 2]" 2
70 1 21 LYS HG3 1 22 PHE H . . 4.320 2.740 1.987 3.979 . 0 0 "[ . 1 . 2]" 2
71 1 22 PHE H 1 22 PHE HB2 . . 3.750 2.517 2.419 2.633 . 0 0 "[ . 1 . 2]" 2
72 1 22 PHE H 1 22 PHE HB3 . . 3.750 3.599 3.589 3.623 . 0 0 "[ . 1 . 2]" 2
73 1 22 PHE H 1 22 PHE QD . . 3.480 2.356 1.914 2.749 . 0 0 "[ . 1 . 2]" 2
74 1 22 PHE H 1 23 CYS H . . 3.280 2.669 2.448 2.793 . 0 0 "[ . 1 . 2]" 2
75 1 22 PHE H 1 24 GLY H . . 3.860 3.637 3.397 3.784 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE HB2 1 23 CYS H . . 3.740 2.368 2.273 2.529 . 0 0 "[ . 1 . 2]" 2
77 1 22 PHE HB3 1 23 CYS H . . 3.740 3.484 3.368 3.706 . 0 0 "[ . 1 . 2]" 2
78 1 23 CYS H 1 24 GLY H . . 3.090 2.037 1.846 2.090 . 0 0 "[ . 1 . 2]" 2
79 1 23 CYS H 1 24 GLY HA2 . . 4.720 4.290 4.055 4.351 . 0 0 "[ . 1 . 2]" 2
80 1 23 CYS H 1 24 GLY HA3 . . 4.720 4.694 4.496 4.759 0.039 18 0 "[ . 1 . 2]" 2
81 1 22 PHE QD 1 23 CYS H . . 4.210 3.843 3.654 4.007 . 0 0 "[ . 1 . 2]" 2
82 1 21 LYS QB 1 24 GLY H . . 5.500 5.394 5.241 5.507 0.007 11 0 "[ . 1 . 2]" 2
83 1 25 ARG H 1 25 ARG HB2 . . 3.440 2.849 2.155 3.388 . 0 0 "[ . 1 . 2]" 2
84 1 25 ARG H 1 25 ARG HB3 . . 3.440 2.653 2.426 3.466 0.026 7 0 "[ . 1 . 2]" 2
85 1 25 ARG H 1 25 ARG HG3 . . 4.790 4.457 3.075 4.774 . 0 0 "[ . 1 . 2]" 2
86 1 25 ARG H 1 26 HIS H . . 4.760 4.517 4.299 4.628 . 0 0 "[ . 1 . 2]" 2
87 1 25 ARG HA 1 26 HIS H . . 2.980 2.291 2.203 2.510 . 0 0 "[ . 1 . 2]" 2
88 1 25 ARG HB2 1 26 HIS H . . 4.230 3.952 3.685 4.167 . 0 0 "[ . 1 . 2]" 2
89 1 25 ARG HB3 1 26 HIS H . . 4.230 3.750 2.280 4.163 . 0 0 "[ . 1 . 2]" 2
90 1 25 ARG HG2 1 26 HIS H . . 4.100 2.836 1.906 4.007 . 0 0 "[ . 1 . 2]" 2
91 1 25 ARG HG3 1 26 HIS H . . 4.100 2.679 1.909 4.136 0.036 7 0 "[ . 1 . 2]" 2
92 1 26 HIS H 1 26 HIS HB2 . . 3.900 2.625 2.446 2.714 . 0 0 "[ . 1 . 2]" 2
93 1 26 HIS H 1 26 HIS HB3 . . 3.900 3.671 3.631 3.760 . 0 0 "[ . 1 . 2]" 2
94 1 26 HIS H 1 27 PHE H . . 4.620 4.560 4.474 4.596 . 0 0 "[ . 1 . 2]" 2
95 1 26 HIS HA 1 27 PHE H . . 3.040 2.256 2.208 2.388 . 0 0 "[ . 1 . 2]" 2
96 1 26 HIS HB2 1 27 PHE H . . 3.950 3.797 3.583 3.945 . 0 0 "[ . 1 . 2]" 2
97 1 26 HIS HB3 1 27 PHE H . . 3.950 2.866 2.487 3.022 . 0 0 "[ . 1 . 2]" 2
98 1 27 PHE H 1 27 PHE HB2 . . 4.000 2.767 2.615 3.028 . 0 0 "[ . 1 . 2]" 2
99 1 27 PHE H 1 27 PHE HB3 . . 4.000 3.849 3.763 3.986 . 0 0 "[ . 1 . 2]" 2
100 1 27 PHE H 1 27 PHE QD . . 3.400 2.651 2.418 2.870 . 0 0 "[ . 1 . 2]" 2
101 1 27 PHE HB2 1 33 LEU H . . 4.610 4.088 3.657 4.458 . 0 0 "[ . 1 . 2]" 2
102 1 27 PHE HB3 1 33 LEU H . . 4.610 3.707 3.213 4.039 . 0 0 "[ . 1 . 2]" 2
103 1 28 THR HB 1 29 LYS H . . 4.330 3.227 2.189 4.314 . 0 0 "[ . 1 . 2]" 2
104 1 28 THR MG 1 29 LYS H . . 4.520 3.448 2.059 4.150 . 0 0 "[ . 1 . 2]" 2
105 1 29 LYS H 1 29 LYS QB . . 3.380 2.649 2.330 3.156 . 0 0 "[ . 1 . 2]" 2
106 1 29 LYS H 1 32 ASN H . . 4.730 4.252 3.672 4.706 . 0 0 "[ . 1 . 2]" 2
107 1 29 LYS H 1 32 ASN QB . . 3.820 2.862 2.611 3.329 . 0 0 "[ . 1 . 2]" 2
108 1 29 LYS H 1 33 LEU H . . 4.950 4.819 4.433 4.953 0.003 19 0 "[ . 1 . 2]" 2
109 1 29 LYS QB 1 32 ASN H . . 3.370 2.469 1.909 3.368 . 0 0 "[ . 1 . 2]" 2
110 1 29 LYS QE 1 32 ASN H . . 5.250 4.432 3.024 5.297 0.047 12 0 "[ . 1 . 2]" 2
111 1 30 SER HA 1 32 ASN H . . 5.500 4.637 4.271 4.964 . 0 0 "[ . 1 . 2]" 2
112 1 30 SER HA 1 33 LEU H . . 3.950 3.702 3.358 3.991 0.041 12 0 "[ . 1 . 2]" 2
113 1 30 SER HA 1 34 LEU H . . 5.200 4.898 4.438 5.189 . 0 0 "[ . 1 . 2]" 2
114 1 33 LEU H 1 33 LEU MD1 . . 4.610 4.162 4.015 4.296 . 0 0 "[ . 1 . 2]" 2
115 1 33 LEU H 1 33 LEU MD2 . . 4.950 4.181 4.041 4.246 . 0 0 "[ . 1 . 2]" 2
116 1 31 TYR HA 1 34 LEU H . . 3.900 3.415 3.223 3.633 . 0 0 "[ . 1 . 2]" 2
117 1 31 TYR HA 1 35 ILE H . . 4.800 4.449 4.157 4.691 . 0 0 "[ . 1 . 2]" 2
118 1 31 TYR HB2 1 32 ASN H . . 4.050 3.690 3.502 3.944 . 0 0 "[ . 1 . 2]" 2
119 1 31 TYR HB3 1 32 ASN H . . 4.050 2.599 2.240 3.605 . 0 0 "[ . 1 . 2]" 2
120 1 32 ASN H 1 32 ASN QB . . 3.260 2.232 2.127 2.376 . 0 0 "[ . 1 . 2]" 2
121 1 32 ASN H 1 33 LEU H . . 3.210 2.768 2.659 2.860 . 0 0 "[ . 1 . 2]" 2
122 1 32 ASN H 1 34 LEU H . . 4.760 4.570 4.380 4.734 . 0 0 "[ . 1 . 2]" 2
123 1 32 ASN HA 1 35 ILE H . . 3.810 3.557 3.419 3.687 . 0 0 "[ . 1 . 2]" 2
124 1 32 ASN QB 1 33 LEU H . . 3.610 2.805 2.609 3.041 . 0 0 "[ . 1 . 2]" 2
125 1 33 LEU H 1 33 LEU HB2 . . 3.540 2.674 2.493 2.903 . 0 0 "[ . 1 . 2]" 2
126 1 33 LEU H 1 33 LEU HB3 . . 3.540 2.364 2.181 2.531 . 0 0 "[ . 1 . 2]" 2
127 1 33 LEU H 1 33 LEU HG . . 4.670 4.374 4.161 4.506 . 0 0 "[ . 1 . 2]" 2
128 1 33 LEU H 1 34 LEU H . . 3.350 2.710 2.437 2.892 . 0 0 "[ . 1 . 2]" 2
129 1 27 PHE QD 1 33 LEU H . . 4.250 3.907 3.248 4.250 . 0 0 "[ . 1 . 2]" 2
130 1 31 TYR QD 1 35 ILE H . . 4.660 3.787 3.486 4.194 . 0 0 "[ . 1 . 2]" 2
131 1 33 LEU H 1 35 ILE H . . 5.120 4.055 3.948 4.151 . 0 0 "[ . 1 . 2]" 2
132 1 33 LEU HA 1 35 ILE H . . 4.470 4.389 4.271 4.488 0.018 15 0 "[ . 1 . 2]" 2
133 1 33 LEU MD1 1 37 GLU H . . 4.260 3.924 3.339 4.262 0.002 1 0 "[ . 1 . 2]" 2
134 1 33 LEU HB2 1 34 LEU H . . 4.100 3.849 3.673 4.009 . 0 0 "[ . 1 . 2]" 2
135 1 33 LEU HB3 1 34 LEU H . . 4.100 2.457 2.211 2.708 . 0 0 "[ . 1 . 2]" 2
136 1 33 LEU HG 1 34 LEU H . . 3.990 3.338 2.892 3.608 . 0 0 "[ . 1 . 2]" 2
137 1 33 LEU MD1 1 34 LEU H . . 4.530 4.282 4.029 4.464 . 0 0 "[ . 1 . 2]" 2
138 1 33 LEU MD2 1 34 LEU H . . 4.750 3.981 3.674 4.360 . 0 0 "[ . 1 . 2]" 2
139 1 34 LEU H 1 34 LEU HB3 . . 3.150 2.173 2.136 2.243 . 0 0 "[ . 1 . 2]" 2
140 1 34 LEU H 1 34 LEU HG . . 3.220 2.985 2.826 3.127 . 0 0 "[ . 1 . 2]" 2
141 1 34 LEU H 1 34 LEU MD2 . . 3.790 3.451 3.275 3.624 . 0 0 "[ . 1 . 2]" 2
142 1 34 LEU H 1 35 ILE H . . 3.490 2.732 2.558 2.837 . 0 0 "[ . 1 . 2]" 2
143 1 34 LEU H 1 36 HIS H . . 4.810 4.204 4.015 4.387 . 0 0 "[ . 1 . 2]" 2
144 1 34 LEU HA 1 36 HIS H . . 4.580 4.147 3.843 4.516 . 0 0 "[ . 1 . 2]" 2
145 1 34 LEU HG 1 35 ILE H . . 3.450 1.941 1.899 2.087 . 0 0 "[ . 1 . 2]" 2
146 1 35 ILE MD 1 36 HIS H . . 4.900 4.762 4.601 4.956 0.056 20 0 "[ . 1 . 2]" 2
147 1 35 ILE H 1 35 ILE HB . . 3.130 2.541 2.463 2.683 . 0 0 "[ . 1 . 2]" 2
148 1 35 ILE H 1 35 ILE HG12 . . 3.460 3.236 2.840 3.468 0.008 15 0 "[ . 1 . 2]" 2
149 1 35 ILE H 1 35 ILE HG13 . . 3.460 2.139 2.002 2.270 . 0 0 "[ . 1 . 2]" 2
150 1 35 ILE H 1 35 ILE MD . . 3.750 3.670 3.400 3.774 0.024 18 0 "[ . 1 . 2]" 2
151 1 35 ILE H 1 37 GLU H . . 4.800 4.209 3.882 4.453 . 0 0 "[ . 1 . 2]" 2
152 1 35 ILE HA 1 38 ARG H . . 4.260 3.951 3.685 4.328 0.068 20 0 "[ . 1 . 2]" 2
153 1 35 ILE HB 1 36 HIS H . . 3.430 2.755 2.499 3.013 . 0 0 "[ . 1 . 2]" 2
154 1 36 HIS H 1 36 HIS QB . . 2.910 2.184 2.130 2.240 . 0 0 "[ . 1 . 2]" 2
155 1 36 HIS H 1 37 GLU H . . 3.500 2.488 2.183 2.760 . 0 0 "[ . 1 . 2]" 2
156 1 36 HIS H 1 38 ARG H . . 4.370 3.971 3.704 4.110 . 0 0 "[ . 1 . 2]" 2
157 1 36 HIS HA 1 38 ARG H . . 4.510 3.771 3.546 4.138 . 0 0 "[ . 1 . 2]" 2
158 1 36 HIS HA 1 39 THR H . . 4.250 3.492 3.353 3.705 . 0 0 "[ . 1 . 2]" 2
159 1 36 HIS QB 1 37 GLU H . . 3.380 2.743 2.488 3.123 . 0 0 "[ . 1 . 2]" 2
160 1 37 GLU H 1 37 GLU HB2 . . 3.830 2.460 2.313 2.638 . 0 0 "[ . 1 . 2]" 2
161 1 37 GLU H 1 37 GLU HB3 . . 3.830 3.590 3.560 3.610 . 0 0 "[ . 1 . 2]" 2
162 1 37 GLU H 1 37 GLU HG2 . . 3.710 3.170 2.564 3.712 0.002 9 0 "[ . 1 . 2]" 2
163 1 37 GLU H 1 37 GLU HG3 . . 3.710 2.527 2.106 3.612 . 0 0 "[ . 1 . 2]" 2
164 1 37 GLU H 1 38 ARG H . . 3.430 2.747 2.330 2.905 . 0 0 "[ . 1 . 2]" 2
165 1 37 GLU H 1 39 THR H . . 4.750 4.448 3.879 4.739 . 0 0 "[ . 1 . 2]" 2
166 1 37 GLU H 1 40 HIS HD2 . . 4.680 4.568 4.355 4.675 . 0 0 "[ . 1 . 2]" 2
167 1 37 GLU HA 1 39 THR H . . 4.590 4.135 3.692 4.506 . 0 0 "[ . 1 . 2]" 2
168 1 37 GLU HA 1 40 HIS H . . 4.050 3.483 3.184 3.699 . 0 0 "[ . 1 . 2]" 2
169 1 37 GLU HB2 1 38 ARG H . . 3.960 2.984 2.631 3.174 . 0 0 "[ . 1 . 2]" 2
170 1 37 GLU HB3 1 38 ARG H . . 3.960 3.816 3.601 3.955 . 0 0 "[ . 1 . 2]" 2
171 1 38 ARG H 1 39 THR MG . . 4.420 4.078 3.681 4.439 0.019 8 0 "[ . 1 . 2]" 2
172 1 38 ARG H 1 38 ARG HB3 . . 3.870 3.261 2.396 3.592 . 0 0 "[ . 1 . 2]" 2
173 1 38 ARG H 1 38 ARG HG2 . . 3.560 3.104 2.213 3.566 0.006 3 0 "[ . 1 . 2]" 2
174 1 38 ARG H 1 38 ARG HG3 . . 3.560 2.517 1.918 3.624 0.064 20 0 "[ . 1 . 2]" 2
175 1 38 ARG H 1 38 ARG QD . . 4.290 3.681 3.317 4.217 . 0 0 "[ . 1 . 2]" 2
176 1 38 ARG H 1 39 THR H . . 3.430 2.685 2.378 2.944 . 0 0 "[ . 1 . 2]" 2
177 1 38 ARG H 1 40 HIS H . . 4.290 4.092 3.939 4.290 0.000 7 0 "[ . 1 . 2]" 2
178 1 38 ARG HA 1 40 HIS H . . 4.420 3.904 3.528 4.387 . 0 0 "[ . 1 . 2]" 2
179 1 38 ARG HB2 1 39 THR H . . 4.250 3.012 2.317 4.152 . 0 0 "[ . 1 . 2]" 2
180 1 38 ARG HB3 1 39 THR H . . 4.250 3.734 3.449 4.107 . 0 0 "[ . 1 . 2]" 2
181 1 39 THR H 1 39 THR MG . . 3.110 2.225 1.881 2.597 . 0 0 "[ . 1 . 2]" 2
182 1 39 THR H 1 40 HIS H . . 3.280 2.650 2.383 2.859 . 0 0 "[ . 1 . 2]" 2
183 1 39 THR MG 1 40 HIS H . . 4.060 3.164 2.149 3.985 . 0 0 "[ . 1 . 2]" 2
184 1 40 HIS H 1 40 HIS HB2 . . 3.710 2.326 2.215 2.486 . 0 0 "[ . 1 . 2]" 2
185 1 40 HIS H 1 40 HIS HB3 . . 3.710 3.579 3.515 3.677 . 0 0 "[ . 1 . 2]" 2
186 1 40 HIS H 1 40 HIS HD2 . . 3.840 3.434 2.951 3.829 . 0 0 "[ . 1 . 2]" 2
187 1 40 HIS H 1 41 THR H . . 3.740 2.773 2.256 3.498 . 0 0 "[ . 1 . 2]" 2
188 1 40 HIS HB2 1 41 THR H . . 4.870 2.877 2.004 4.453 . 0 0 "[ . 1 . 2]" 2
189 1 40 HIS HB3 1 41 THR H . . 4.870 3.410 2.804 4.437 . 0 0 "[ . 1 . 2]" 2
190 1 41 THR H 1 41 THR MG . . 4.030 2.306 1.874 3.268 . 0 0 "[ . 1 . 2]" 2
191 1 41 THR H 1 42 ASP H . . 4.680 3.950 2.049 4.641 . 0 0 "[ . 1 . 2]" 2
192 1 41 THR HB 1 42 ASP H . . 4.370 3.684 2.696 4.363 . 0 0 "[ . 1 . 2]" 2
193 1 42 ASP H 1 42 ASP HB2 . . 4.140 2.711 2.283 3.633 . 0 0 "[ . 1 . 2]" 2
194 1 42 ASP H 1 42 ASP HB3 . . 4.140 3.397 2.395 3.971 . 0 0 "[ . 1 . 2]" 2
195 1 42 ASP H 1 43 GLU H . . 4.610 3.820 2.530 4.587 . 0 0 "[ . 1 . 2]" 2
196 1 42 ASP HA 1 43 GLU H . . 3.240 2.440 2.142 2.919 . 0 0 "[ . 1 . 2]" 2
197 1 42 ASP HB2 1 43 GLU H . . 4.630 4.168 3.165 4.552 . 0 0 "[ . 1 . 2]" 2
198 1 42 ASP HB3 1 43 GLU H . . 4.630 3.789 1.965 4.501 . 0 0 "[ . 1 . 2]" 2
199 1 43 GLU H 1 43 GLU QB . . 3.320 2.634 2.190 3.182 . 0 0 "[ . 1 . 2]" 2
200 1 43 GLU H 1 43 GLU HG2 . . 4.090 2.985 1.919 4.071 . 0 0 "[ . 1 . 2]" 2
201 1 43 GLU H 1 43 GLU HG3 . . 4.090 3.097 1.897 4.039 . 0 0 "[ . 1 . 2]" 2
202 1 43 GLU H 1 44 ARG H . . 4.530 3.596 2.042 4.538 0.008 9 0 "[ . 1 . 2]" 2
203 1 43 GLU QB 1 44 ARG H . . 3.870 2.826 1.927 3.766 . 0 0 "[ . 1 . 2]" 2
204 1 44 ARG H 1 44 ARG HB2 . . 4.100 2.851 2.225 3.803 . 0 0 "[ . 1 . 2]" 2
205 1 44 ARG H 1 44 ARG HB3 . . 4.100 3.506 2.296 3.932 . 0 0 "[ . 1 . 2]" 2
206 1 44 ARG HA 1 46 TYR H . . 4.420 3.728 3.213 4.342 . 0 0 "[ . 1 . 2]" 2
207 1 45 PRO HB3 1 46 TYR H . . 4.600 4.105 3.866 4.408 . 0 0 "[ . 1 . 2]" 2
208 1 45 PRO HB2 1 46 TYR H . . 3.780 3.270 2.855 3.794 0.014 19 0 "[ . 1 . 2]" 2
209 1 45 PRO HG2 1 46 TYR H . . 4.390 2.370 1.886 3.040 . 0 0 "[ . 1 . 2]" 2
210 1 45 PRO HG3 1 46 TYR H . . 4.390 3.881 3.518 4.384 . 0 0 "[ . 1 . 2]" 2
211 1 45 PRO HD2 1 46 TYR H . . 4.200 2.765 2.683 2.838 . 0 0 "[ . 1 . 2]" 2
212 1 45 PRO HD3 1 46 TYR H . . 4.200 3.891 3.851 3.943 . 0 0 "[ . 1 . 2]" 2
213 1 46 TYR H 1 46 TYR HB2 . . 3.780 2.619 2.418 2.901 . 0 0 "[ . 1 . 2]" 2
214 1 46 TYR H 1 46 TYR HB3 . . 3.780 3.602 3.527 3.657 . 0 0 "[ . 1 . 2]" 2
215 1 46 TYR H 1 46 TYR QD . . 3.460 2.171 1.890 2.751 . 0 0 "[ . 1 . 2]" 2
216 1 46 TYR H 1 47 THR H . . 4.440 3.965 3.016 4.452 0.012 14 0 "[ . 1 . 2]" 2
217 1 46 TYR H 1 55 PHE H . . 5.090 4.531 3.604 4.948 . 0 0 "[ . 1 . 2]" 2
218 1 46 TYR HA 1 47 THR H . . 3.260 2.355 2.138 2.867 . 0 0 "[ . 1 . 2]" 2
219 1 46 TYR HB2 1 47 THR H . . 4.640 4.336 4.136 4.504 . 0 0 "[ . 1 . 2]" 2
220 1 46 TYR HB3 1 47 THR H . . 4.640 4.032 3.550 4.528 . 0 0 "[ . 1 . 2]" 2
221 1 46 TYR HB2 1 55 PHE H . . 4.600 2.397 1.898 3.129 . 0 0 "[ . 1 . 2]" 2
222 1 47 THR H 1 47 THR HB . . 3.650 2.760 2.509 3.026 . 0 0 "[ . 1 . 2]" 2
223 1 45 PRO HB2 1 47 THR H . . 5.470 5.106 4.522 5.471 0.001 11 0 "[ . 1 . 2]" 2
224 1 47 THR H 1 48 CYS H . . 4.700 4.344 3.987 4.557 . 0 0 "[ . 1 . 2]" 2
225 1 47 THR H 1 47 THR MG . . 4.470 3.818 2.468 4.008 . 0 0 "[ . 1 . 2]" 2
226 1 47 THR H 1 61 LEU MD2 . . 4.670 3.314 2.640 4.053 . 0 0 "[ . 1 . 2]" 2
227 1 47 THR HA 1 48 CYS H . . 3.310 2.173 2.141 2.342 . 0 0 "[ . 1 . 2]" 2
228 1 47 THR HA 1 53 LYS H . . 4.810 4.370 3.824 4.589 . 0 0 "[ . 1 . 2]" 2
229 1 47 THR HB 1 48 CYS H . . 4.310 4.098 3.795 4.290 . 0 0 "[ . 1 . 2]" 2
230 1 47 THR MG 1 48 CYS H . . 3.780 2.544 1.985 3.052 . 0 0 "[ . 1 . 2]" 2
231 1 48 CYS H 1 48 CYS HB2 . . 3.700 2.222 2.175 2.317 . 0 0 "[ . 1 . 2]" 2
232 1 48 CYS H 1 48 CYS HB3 . . 3.740 2.898 2.819 2.966 . 0 0 "[ . 1 . 2]" 2
233 1 48 CYS H 1 52 HIS H . . 4.670 4.201 3.737 4.556 . 0 0 "[ . 1 . 2]" 2
234 1 48 CYS H 1 52 HIS HA . . 4.820 2.796 2.379 3.647 . 0 0 "[ . 1 . 2]" 2
235 1 48 CYS H 1 53 LYS H . . 4.250 2.713 2.337 2.974 . 0 0 "[ . 1 . 2]" 2
236 1 48 CYS H 1 61 LEU MD1 . . 4.000 3.442 3.033 3.998 . 0 0 "[ . 1 . 2]" 2
237 1 48 CYS HA 1 50 ILE H . . 4.440 4.250 3.725 4.417 . 0 0 "[ . 1 . 2]" 2
238 1 48 CYS HB2 1 50 ILE H . . 4.610 4.294 4.203 4.414 . 0 0 "[ . 1 . 2]" 2
239 1 48 CYS HB3 1 50 ILE H . . 4.230 2.774 2.623 2.921 . 0 0 "[ . 1 . 2]" 2
240 1 48 CYS HB2 1 51 CYS H . . 4.630 4.400 4.039 4.605 . 0 0 "[ . 1 . 2]" 2
241 1 48 CYS HB3 1 51 CYS H . . 4.510 3.119 2.468 3.367 . 0 0 "[ . 1 . 2]" 2
242 1 48 CYS HB2 1 52 HIS H . . 3.930 3.592 3.344 3.900 . 0 0 "[ . 1 . 2]" 2
243 1 48 CYS HB3 1 52 HIS H . . 4.260 2.012 1.898 2.256 . 0 0 "[ . 1 . 2]" 2
244 1 48 CYS HB2 1 53 LYS H . . 3.640 2.199 1.899 3.098 . 0 0 "[ . 1 . 2]" 2
245 1 48 CYS HB3 1 53 LYS H . . 3.950 2.427 2.065 2.912 . 0 0 "[ . 1 . 2]" 2
246 1 49 ASP H 1 50 ILE H . . 4.400 2.123 1.964 2.807 . 0 0 "[ . 1 . 2]" 2
247 1 49 ASP H 1 50 ILE HG13 . . 4.800 3.865 3.198 4.156 . 0 0 "[ . 1 . 2]" 2
248 1 49 ASP H 1 61 LEU MD1 . . 5.370 4.335 4.051 4.783 . 0 0 "[ . 1 . 2]" 2
249 1 49 ASP QB 1 50 ILE H . . 4.100 3.099 2.875 3.708 . 0 0 "[ . 1 . 2]" 2
250 1 50 ILE H 1 50 ILE HB . . 3.340 2.649 2.564 2.835 . 0 0 "[ . 1 . 2]" 2
251 1 50 ILE H 1 50 ILE MG . . 3.940 3.854 3.811 3.932 . 0 0 "[ . 1 . 2]" 2
252 1 50 ILE H 1 50 ILE HG12 . . 4.010 3.959 3.886 4.012 0.002 1 0 "[ . 1 . 2]" 2
253 1 50 ILE H 1 50 ILE HG13 . . 3.530 2.686 2.562 2.777 . 0 0 "[ . 1 . 2]" 2
254 1 50 ILE H 1 50 ILE MD . . 3.870 3.825 3.685 3.873 0.003 10 0 "[ . 1 . 2]" 2
255 1 50 ILE H 1 51 CYS H . . 3.440 2.547 2.189 2.652 . 0 0 "[ . 1 . 2]" 2
256 1 50 ILE H 1 52 HIS H . . 4.160 2.827 2.675 2.940 . 0 0 "[ . 1 . 2]" 2
257 1 50 ILE H 1 52 HIS HA . . 4.790 4.391 4.236 4.575 . 0 0 "[ . 1 . 2]" 2
258 1 50 ILE HA 1 52 HIS H . . 4.730 3.918 3.805 4.645 . 0 0 "[ . 1 . 2]" 2
259 1 50 ILE HB 1 51 CYS H . . 3.450 1.968 1.897 2.239 . 0 0 "[ . 1 . 2]" 2
260 1 47 THR MG 1 52 HIS H . . 4.600 4.183 3.852 4.596 . 0 0 "[ . 1 . 2]" 2
261 1 50 ILE HB 1 52 HIS H . . 4.930 4.153 4.062 4.284 . 0 0 "[ . 1 . 2]" 2
262 1 50 ILE MG 1 51 CYS H . . 3.680 2.895 2.648 3.407 . 0 0 "[ . 1 . 2]" 2
263 1 50 ILE HG12 1 51 CYS H . . 4.770 4.696 4.655 4.795 0.025 6 0 "[ . 1 . 2]" 2
264 1 50 ILE HG13 1 51 CYS H . . 4.210 4.036 3.866 4.146 . 0 0 "[ . 1 . 2]" 2
265 1 51 CYS H 1 51 CYS HB3 . . 4.180 2.472 2.281 3.039 . 0 0 "[ . 1 . 2]" 2
266 1 51 CYS H 1 52 HIS H . . 3.360 2.604 2.142 2.727 . 0 0 "[ . 1 . 2]" 2
267 1 52 HIS H 1 53 LYS H . . 3.800 2.993 2.745 3.093 . 0 0 "[ . 1 . 2]" 2
268 1 53 LYS H 1 53 LYS HB2 . . 3.670 2.230 2.179 2.385 . 0 0 "[ . 1 . 2]" 2
269 1 53 LYS H 1 53 LYS HB3 . . 3.670 3.514 3.484 3.612 . 0 0 "[ . 1 . 2]" 2
270 1 53 LYS H 1 53 LYS HG3 . . 3.370 3.081 2.903 3.223 . 0 0 "[ . 1 . 2]" 2
271 1 53 LYS HA 1 54 ALA H . . 2.930 2.442 2.174 2.643 . 0 0 "[ . 1 . 2]" 2
272 1 53 LYS HG2 1 54 ALA H . . 3.810 3.451 3.254 3.812 0.002 7 0 "[ . 1 . 2]" 2
273 1 54 ALA H 1 54 ALA MB . . 3.000 2.343 2.146 2.487 . 0 0 "[ . 1 . 2]" 2
274 1 54 ALA H 1 55 PHE H . . 4.590 4.446 4.261 4.571 . 0 0 "[ . 1 . 2]" 2
275 1 55 PHE H 1 55 PHE QE . . 4.700 4.484 4.308 4.657 . 0 0 "[ . 1 . 2]" 2
276 1 54 ALA HA 1 55 PHE H . . 3.240 2.181 2.142 2.226 . 0 0 "[ . 1 . 2]" 2
277 1 54 ALA MB 1 55 PHE H . . 3.450 3.025 2.841 3.296 . 0 0 "[ . 1 . 2]" 2
278 1 46 TYR HB3 1 55 PHE H . . 4.600 3.300 2.335 4.599 . 0 0 "[ . 1 . 2]" 2
279 1 55 PHE H 1 55 PHE QD . . 3.520 2.387 2.144 2.646 . 0 0 "[ . 1 . 2]" 2
280 1 55 PHE HB2 1 57 ARG H . . 4.430 4.159 3.684 4.430 0.000 20 0 "[ . 1 . 2]" 2
281 1 55 PHE HB3 1 57 ARG H . . 4.430 3.326 2.698 3.955 . 0 0 "[ . 1 . 2]" 2
282 1 55 PHE HB2 1 61 LEU H . . 4.820 4.157 3.307 4.685 . 0 0 "[ . 1 . 2]" 2
283 1 55 PHE HB3 1 61 LEU H . . 4.820 4.010 3.646 4.511 . 0 0 "[ . 1 . 2]" 2
284 1 56 ARG H 1 57 ARG H . . 4.680 2.323 1.931 2.879 . 0 0 "[ . 1 . 2]" 2
285 1 56 ARG HB2 1 57 ARG H . . 4.190 3.562 2.139 4.166 . 0 0 "[ . 1 . 2]" 2
286 1 56 ARG HB3 1 57 ARG H . . 4.190 3.049 2.201 4.186 . 0 0 "[ . 1 . 2]" 2
287 1 56 ARG QG 1 57 ARG H . . 4.070 3.176 1.881 4.111 0.041 13 0 "[ . 1 . 2]" 2
288 1 57 ARG H 1 57 ARG HB2 . . 3.910 2.437 2.250 2.684 . 0 0 "[ . 1 . 2]" 2
289 1 57 ARG H 1 57 ARG HB3 . . 3.910 3.633 3.511 3.757 . 0 0 "[ . 1 . 2]" 2
290 1 57 ARG H 1 57 ARG HG2 . . 4.190 3.488 2.535 4.187 . 0 0 "[ . 1 . 2]" 2
291 1 57 ARG H 1 57 ARG HG3 . . 4.190 3.387 2.203 4.211 0.021 15 0 "[ . 1 . 2]" 2
292 1 57 ARG H 1 60 HIS H . . 4.790 4.665 4.116 4.797 0.007 18 0 "[ . 1 . 2]" 2
293 1 56 ARG QD 1 57 ARG H . . 5.240 4.343 3.027 5.224 . 0 0 "[ . 1 . 2]" 2
294 1 57 ARG HB2 1 60 HIS H . . 3.910 3.129 2.679 3.571 . 0 0 "[ . 1 . 2]" 2
295 1 57 ARG HB3 1 60 HIS H . . 3.910 3.083 2.659 3.917 0.007 13 0 "[ . 1 . 2]" 2
296 1 58 GLN HA 1 61 LEU H . . 4.000 3.328 3.020 3.532 . 0 0 "[ . 1 . 2]" 2
297 1 58 GLN HA 1 62 ARG H . . 4.340 4.046 3.664 4.345 0.005 7 0 "[ . 1 . 2]" 2
298 1 61 LEU H 1 61 LEU MD1 . . 4.710 4.246 4.112 4.360 . 0 0 "[ . 1 . 2]" 2
299 1 61 LEU H 1 61 LEU MD2 . . 5.040 4.157 4.022 4.231 . 0 0 "[ . 1 . 2]" 2
300 1 59 ASP HA 1 62 ARG H . . 3.940 3.508 3.213 3.944 0.004 15 0 "[ . 1 . 2]" 2
301 1 59 ASP HA 1 63 ASP H . . 4.500 3.881 3.509 4.500 . 0 0 "[ . 1 . 2]" 2
302 1 59 ASP HB2 1 60 HIS H . . 4.500 3.303 2.414 4.123 . 0 0 "[ . 1 . 2]" 2
303 1 59 ASP HB3 1 60 HIS H . . 4.500 3.228 2.280 4.105 . 0 0 "[ . 1 . 2]" 2
304 1 60 HIS H 1 60 HIS HB2 . . 3.770 2.388 2.212 2.652 . 0 0 "[ . 1 . 2]" 2
305 1 60 HIS H 1 60 HIS HB3 . . 3.770 3.565 3.513 3.628 . 0 0 "[ . 1 . 2]" 2
306 1 60 HIS H 1 62 ARG H . . 4.980 4.098 3.701 4.448 . 0 0 "[ . 1 . 2]" 2
307 1 60 HIS HA 1 63 ASP H . . 4.040 3.944 3.700 4.054 0.014 7 0 "[ . 1 . 2]" 2
308 1 61 LEU H 1 61 LEU HB2 . . 3.840 2.837 2.640 3.182 . 0 0 "[ . 1 . 2]" 2
309 1 61 LEU H 1 61 LEU HB3 . . 3.840 2.255 2.152 2.378 . 0 0 "[ . 1 . 2]" 2
310 1 61 LEU H 1 61 LEU HG . . 4.410 4.242 4.014 4.400 . 0 0 "[ . 1 . 2]" 2
311 1 61 LEU H 1 62 ARG H . . 3.520 2.576 2.147 2.867 . 0 0 "[ . 1 . 2]" 2
312 1 55 PHE QD 1 61 LEU H . . 4.760 4.363 3.913 4.741 . 0 0 "[ . 1 . 2]" 2
313 1 61 LEU H 1 63 ASP H . . 4.730 4.469 3.968 4.728 . 0 0 "[ . 1 . 2]" 2
314 1 61 LEU HG 1 62 ARG H . . 4.310 3.349 2.960 3.637 . 0 0 "[ . 1 . 2]" 2
315 1 62 ARG H 1 62 ARG HB3 . . 3.470 2.996 2.281 3.581 0.111 8 0 "[ . 1 . 2]" 2
316 1 62 ARG H 1 62 ARG HG2 . . 4.690 3.986 2.837 4.606 . 0 0 "[ . 1 . 2]" 2
317 1 62 ARG H 1 63 ASP H . . 3.760 2.837 2.549 3.064 . 0 0 "[ . 1 . 2]" 2
318 1 64 HIS H 1 64 HIS HD2 . . 4.990 4.551 4.272 4.889 . 0 0 "[ . 1 . 2]" 2
319 1 62 ARG HA 1 65 ARG H . . 4.470 3.811 3.285 4.368 . 0 0 "[ . 1 . 2]" 2
320 1 62 ARG HB2 1 63 ASP H . . 3.920 3.125 2.312 4.021 0.101 9 0 "[ . 1 . 2]" 2
321 1 62 ARG HB3 1 63 ASP H . . 3.920 2.609 2.064 3.662 . 0 0 "[ . 1 . 2]" 2
322 1 62 ARG HG3 1 63 ASP H . . 4.820 4.385 1.883 4.763 . 0 0 "[ . 1 . 2]" 2
323 1 63 ASP H 1 63 ASP HB2 . . 3.700 2.849 2.234 3.558 . 0 0 "[ . 1 . 2]" 2
324 1 63 ASP H 1 63 ASP HB3 . . 3.700 2.690 2.191 3.599 . 0 0 "[ . 1 . 2]" 2
325 1 63 ASP H 1 64 HIS H . . 3.610 2.629 2.223 2.884 . 0 0 "[ . 1 . 2]" 2
326 1 63 ASP H 1 65 ARG H . . 4.900 4.381 4.106 4.717 . 0 0 "[ . 1 . 2]" 2
327 1 63 ASP HA 1 65 ARG H . . 4.740 4.242 3.821 4.618 . 0 0 "[ . 1 . 2]" 2
328 1 63 ASP HB2 1 64 HIS H . . 4.330 3.772 2.559 4.344 0.014 4 0 "[ . 1 . 2]" 2
329 1 97 MET H 1 97 MET HG2 . . 4.480 2.871 2.040 4.456 . 0 0 "[ . 1 . 2]" 2
330 1 63 ASP HB3 1 64 HIS H . . 4.330 3.346 2.602 4.077 . 0 0 "[ . 1 . 2]" 2
331 1 97 MET H 1 97 MET HG3 . . 4.480 3.336 2.405 4.421 . 0 0 "[ . 1 . 2]" 2
332 1 64 HIS H 1 64 HIS HB2 . . 3.420 2.902 2.704 3.101 . 0 0 "[ . 1 . 2]" 2
333 1 64 HIS H 1 64 HIS HB3 . . 3.420 2.231 2.180 2.372 . 0 0 "[ . 1 . 2]" 2
334 1 64 HIS H 1 65 ARG H . . 3.640 2.738 2.405 2.973 . 0 0 "[ . 1 . 2]" 2
335 1 64 HIS H 1 66 TYR H . . 4.680 4.111 3.900 4.220 . 0 0 "[ . 1 . 2]" 2
336 1 64 HIS HA 1 66 TYR H . . 4.750 3.504 3.338 3.799 . 0 0 "[ . 1 . 2]" 2
337 1 64 HIS HA 1 67 ILE H . . 4.690 3.687 3.475 3.992 . 0 0 "[ . 1 . 2]" 2
338 1 64 HIS HB2 1 65 ARG H . . 4.110 4.072 3.869 4.219 0.109 17 0 "[ . 1 . 2]" 2
339 1 64 HIS HB3 1 65 ARG H . . 4.110 2.802 2.519 3.033 . 0 0 "[ . 1 . 2]" 2
340 1 64 HIS HD2 1 65 ARG H . . 4.200 2.880 2.480 3.719 . 0 0 "[ . 1 . 2]" 2
341 1 65 ARG H 1 65 ARG QB . . 3.420 2.252 2.107 2.497 . 0 0 "[ . 1 . 2]" 2
342 1 65 ARG H 1 65 ARG QG . . 3.740 2.944 2.203 3.768 0.028 13 0 "[ . 1 . 2]" 2
343 1 65 ARG H 1 66 TYR H . . 3.690 2.807 2.710 2.910 . 0 0 "[ . 1 . 2]" 2
344 1 65 ARG HA 1 67 ILE H . . 4.850 3.989 3.563 4.288 . 0 0 "[ . 1 . 2]" 2
345 1 65 ARG HA 1 68 HIS H . . 4.200 3.571 3.269 3.920 . 0 0 "[ . 1 . 2]" 2
346 1 65 ARG QB 1 66 TYR H . . 3.980 3.097 2.829 3.602 . 0 0 "[ . 1 . 2]" 2
347 1 66 TYR H 1 66 TYR HB2 . . 3.390 2.358 2.154 2.795 . 0 0 "[ . 1 . 2]" 2
348 1 66 TYR H 1 66 TYR HB3 . . 3.390 2.938 2.290 3.528 0.138 15 0 "[ . 1 . 2]" 2
349 1 66 TYR H 1 67 ILE HA . . 5.500 5.290 5.079 5.460 . 0 0 "[ . 1 . 2]" 2
350 1 66 TYR HA 1 68 HIS H . . 4.450 3.796 3.519 4.373 . 0 0 "[ . 1 . 2]" 2
351 1 66 TYR HB2 1 67 ILE H . . 4.250 3.534 2.760 4.064 . 0 0 "[ . 1 . 2]" 2
352 1 66 TYR HB3 1 67 ILE H . . 4.250 2.939 2.414 3.688 . 0 0 "[ . 1 . 2]" 2
353 1 67 ILE H 1 67 ILE HB . . 3.660 3.600 3.565 3.620 . 0 0 "[ . 1 . 2]" 2
354 1 67 ILE H 1 67 ILE MG . . 3.360 1.944 1.843 2.138 . 0 0 "[ . 1 . 2]" 2
355 1 67 ILE H 1 67 ILE HG12 . . 3.970 2.541 2.292 2.703 . 0 0 "[ . 1 . 2]" 2
356 1 67 ILE H 1 67 ILE HG13 . . 3.970 3.361 3.016 3.853 . 0 0 "[ . 1 . 2]" 2
357 1 66 TYR H 1 67 ILE H . . 3.610 2.719 2.518 2.923 . 0 0 "[ . 1 . 2]" 2
358 1 67 ILE H 1 68 HIS H . . 3.550 2.739 2.554 2.888 . 0 0 "[ . 1 . 2]" 2
359 1 67 ILE HB 1 68 HIS H . . 4.310 4.035 3.859 4.142 . 0 0 "[ . 1 . 2]" 2
360 1 67 ILE HG12 1 68 HIS H . . 4.490 2.872 1.903 3.286 . 0 0 "[ . 1 . 2]" 2
361 1 67 ILE HG13 1 68 HIS H . . 4.490 2.376 2.183 2.829 . 0 0 "[ . 1 . 2]" 2
362 1 68 HIS H 1 68 HIS HB2 . . 3.740 2.521 2.414 2.631 . 0 0 "[ . 1 . 2]" 2
363 1 68 HIS H 1 68 HIS HB3 . . 3.740 3.640 3.594 3.681 . 0 0 "[ . 1 . 2]" 2
364 1 68 HIS H 1 68 HIS HD2 . . 4.030 3.673 3.186 4.007 . 0 0 "[ . 1 . 2]" 2
365 1 68 HIS H 1 69 SER H . . 4.840 3.952 2.375 4.588 . 0 0 "[ . 1 . 2]" 2
366 1 62 ARG H 1 62 ARG HB2 . . 3.470 2.413 2.177 3.548 0.078 9 0 "[ . 1 . 2]" 2
367 1 60 HIS HA 1 62 ARG H . . 4.770 4.476 4.215 4.770 0.000 17 0 "[ . 1 . 2]" 2
368 1 72 LYS HA 1 74 PHE H . . 4.540 3.854 3.421 4.553 0.013 12 0 "[ . 1 . 2]" 2
369 1 74 PHE H 1 89 LEU MD2 . . 4.930 4.581 3.655 4.930 . 20 0 "[ . 1 . 2]" 2
370 1 73 PRO HB3 1 74 PHE H . . 4.500 4.221 3.879 4.389 . 0 0 "[ . 1 . 2]" 2
371 1 73 PRO HG2 1 74 PHE H . . 4.350 2.595 1.904 2.986 . 0 0 "[ . 1 . 2]" 2
372 1 73 PRO HD2 1 74 PHE H . . 4.410 2.740 2.647 2.810 . 0 0 "[ . 1 . 2]" 2
373 1 73 PRO HD3 1 74 PHE H . . 4.410 3.886 3.836 3.929 . 0 0 "[ . 1 . 2]" 2
374 1 74 PHE H 1 74 PHE HB2 . . 4.040 2.965 2.182 3.840 . 0 0 "[ . 1 . 2]" 2
375 1 74 PHE H 1 74 PHE HB3 . . 4.040 3.438 2.754 4.054 0.014 4 0 "[ . 1 . 2]" 2
376 1 74 PHE H 1 74 PHE QD . . 3.740 2.930 2.196 3.742 0.002 9 0 "[ . 1 . 2]" 2
377 1 74 PHE H 1 75 LYS H . . 4.560 3.543 2.411 4.550 . 0 0 "[ . 1 . 2]" 2
378 1 74 PHE HA 1 75 LYS H . . 3.500 2.568 2.139 3.564 0.064 9 0 "[ . 1 . 2]" 2
379 1 74 PHE HB2 1 75 LYS H . . 4.650 3.999 2.873 4.622 . 0 0 "[ . 1 . 2]" 2
380 1 74 PHE HB3 1 75 LYS H . . 4.650 4.070 2.330 4.557 . 0 0 "[ . 1 . 2]" 2
381 1 75 LYS H 1 75 LYS HB2 . . 3.770 3.289 2.539 3.851 0.081 12 0 "[ . 1 . 2]" 2
382 1 75 LYS H 1 75 LYS HB3 . . 3.770 2.913 2.506 3.702 . 0 0 "[ . 1 . 2]" 2
383 1 75 LYS H 1 75 LYS HG2 . . 5.060 3.941 2.205 4.914 . 0 0 "[ . 1 . 2]" 2
384 1 75 LYS H 1 75 LYS HG3 . . 5.060 4.333 3.488 4.942 . 0 0 "[ . 1 . 2]" 2
385 1 74 PHE QD 1 75 LYS H . . 4.760 4.573 3.786 4.765 0.005 18 0 "[ . 1 . 2]" 2
386 1 75 LYS HA 1 76 CYS H . . 3.190 2.191 2.140 2.265 . 0 0 "[ . 1 . 2]" 2
387 1 75 LYS HA 1 83 PHE H . . 5.270 4.603 3.741 5.270 0.000 19 0 "[ . 1 . 2]" 2
388 1 75 LYS HB2 1 76 CYS H . . 4.710 3.865 2.826 4.496 . 0 0 "[ . 1 . 2]" 2
389 1 75 LYS QD 1 76 CYS H . . 5.180 4.684 2.944 5.214 0.034 11 0 "[ . 1 . 2]" 2
390 1 75 LYS HB3 1 76 CYS H . . 4.710 4.061 2.947 4.405 . 0 0 "[ . 1 . 2]" 2
391 1 75 LYS HG2 1 76 CYS H . . 4.630 3.748 2.622 4.642 0.012 11 0 "[ . 1 . 2]" 2
392 1 75 LYS HG3 1 76 CYS H . . 4.630 3.609 2.908 4.557 . 0 0 "[ . 1 . 2]" 2
393 1 76 CYS H 1 76 CYS HB2 . . 3.570 2.588 2.302 2.823 . 0 0 "[ . 1 . 2]" 2
394 1 76 CYS H 1 76 CYS HB3 . . 3.540 2.518 2.345 2.794 . 0 0 "[ . 1 . 2]" 2
395 1 76 CYS H 1 80 GLY H . . 4.800 4.423 3.880 4.748 . 0 0 "[ . 1 . 2]" 2
396 1 76 CYS H 1 81 LYS H . . 4.410 3.542 2.679 4.039 . 0 0 "[ . 1 . 2]" 2
397 1 76 CYS H 1 83 PHE H . . 5.450 4.916 4.262 5.417 . 0 0 "[ . 1 . 2]" 2
398 1 76 CYS H 1 89 LEU MD1 . . 4.050 2.877 1.945 3.577 . 0 0 "[ . 1 . 2]" 2
399 1 76 CYS HA 1 78 GLU H . . 4.760 4.147 3.258 4.364 . 0 0 "[ . 1 . 2]" 2
400 1 79 CYS H 1 79 CYS HB3 . . 3.880 2.784 2.650 3.183 . 0 0 "[ . 1 . 2]" 2
401 1 76 CYS HB3 1 79 CYS H . . 3.940 3.687 3.177 3.906 . 0 0 "[ . 1 . 2]" 2
402 1 76 CYS HB2 1 80 GLY H . . 4.350 3.783 3.461 4.351 0.001 2 0 "[ . 1 . 2]" 2
403 1 76 CYS HB3 1 80 GLY H . . 4.040 2.224 1.899 2.731 . 0 0 "[ . 1 . 2]" 2
404 1 76 CYS HB3 1 81 LYS H . . 3.750 2.333 1.900 2.671 . 0 0 "[ . 1 . 2]" 2
405 1 76 CYS HB3 1 78 GLU H . . 4.710 4.447 3.365 4.711 0.001 19 0 "[ . 1 . 2]" 2
406 1 77 GLN HB2 1 78 GLU H . . 4.360 3.515 2.611 4.366 0.006 7 0 "[ . 1 . 2]" 2
407 1 77 GLN HB3 1 78 GLU H . . 4.360 3.134 2.575 3.954 . 0 0 "[ . 1 . 2]" 2
408 1 78 GLU H 1 78 GLU HB3 . . 3.580 3.558 3.526 3.581 0.001 12 0 "[ . 1 . 2]" 2
409 1 78 GLU H 1 78 GLU HB2 . . 3.290 2.325 2.243 2.416 . 0 0 "[ . 1 . 2]" 2
410 1 78 GLU H 1 78 GLU HG2 . . 4.090 2.847 2.328 4.084 . 0 0 "[ . 1 . 2]" 2
411 1 78 GLU H 1 78 GLU HG3 . . 4.090 3.598 2.644 4.028 . 0 0 "[ . 1 . 2]" 2
412 1 78 GLU H 1 79 CYS H . . 3.280 2.995 2.250 3.153 . 0 0 "[ . 1 . 2]" 2
413 1 78 GLU H 1 80 GLY H . . 4.060 3.929 3.199 4.062 0.002 2 0 "[ . 1 . 2]" 2
414 1 78 GLU HB3 1 79 CYS H . . 3.600 2.824 2.606 3.174 . 0 0 "[ . 1 . 2]" 2
415 1 78 GLU HB2 1 79 CYS H . . 3.570 2.237 2.044 2.538 . 0 0 "[ . 1 . 2]" 2
416 1 78 GLU HG2 1 79 CYS H . . 4.790 4.470 4.275 4.642 . 0 0 "[ . 1 . 2]" 2
417 1 78 GLU HG3 1 79 CYS H . . 4.790 4.543 4.372 4.791 0.001 10 0 "[ . 1 . 2]" 2
418 1 79 CYS H 1 79 CYS HB2 . . 3.880 3.670 3.612 3.756 . 0 0 "[ . 1 . 2]" 2
419 1 79 CYS H 1 80 GLY H . . 3.090 2.233 1.936 2.411 . 0 0 "[ . 1 . 2]" 2
420 1 76 CYS HB2 1 81 LYS H . . 4.440 3.635 3.128 4.198 . 0 0 "[ . 1 . 2]" 2
421 1 80 GLY H 1 81 LYS H . . 3.640 2.727 2.167 3.103 . 0 0 "[ . 1 . 2]" 2
422 1 81 LYS H 1 81 LYS HB2 . . 3.730 2.589 2.167 3.738 0.008 14 0 "[ . 1 . 2]" 2
423 1 81 LYS H 1 81 LYS HB3 . . 3.730 3.299 2.534 3.583 . 0 0 "[ . 1 . 2]" 2
424 1 81 LYS HA 1 82 GLY H . . 2.980 2.521 2.403 2.647 . 0 0 "[ . 1 . 2]" 2
425 1 81 LYS HB2 1 82 GLY H . . 3.870 3.361 2.143 3.866 . 0 0 "[ . 1 . 2]" 2
426 1 81 LYS HB3 1 82 GLY H . . 3.870 2.635 1.977 3.855 . 0 0 "[ . 1 . 2]" 2
427 1 81 LYS HG2 1 82 GLY H . . 4.770 4.081 3.437 4.740 . 0 0 "[ . 1 . 2]" 2
428 1 81 LYS HG3 1 82 GLY H . . 4.770 4.196 2.834 4.659 . 0 0 "[ . 1 . 2]" 2
429 1 82 GLY H 1 83 PHE H . . 4.600 3.426 2.890 4.412 . 0 0 "[ . 1 . 2]" 2
430 1 83 PHE H 1 83 PHE QD . . 3.610 2.482 1.897 3.136 . 0 0 "[ . 1 . 2]" 2
431 1 84 CYS HB2 1 85 GLN H . . 4.700 3.704 2.595 4.521 . 0 0 "[ . 1 . 2]" 2
432 1 84 CYS HB3 1 85 GLN H . . 4.700 3.792 2.255 4.655 . 0 0 "[ . 1 . 2]" 2
433 1 85 GLN H 1 85 GLN QG . . 4.310 3.414 2.722 4.232 . 0 0 "[ . 1 . 2]" 2
434 1 85 GLN HB2 1 88 THR H . . 4.150 3.573 3.145 4.134 . 0 0 "[ . 1 . 2]" 2
435 1 85 GLN HB3 1 88 THR H . . 4.150 2.914 2.218 3.634 . 0 0 "[ . 1 . 2]" 2
436 1 87 ARG HA 1 90 ALA H . . 4.020 3.688 3.230 4.038 0.018 20 0 "[ . 1 . 2]" 2
437 1 87 ARG HB2 1 88 THR H . . 4.400 3.219 2.372 4.385 . 0 0 "[ . 1 . 2]" 2
438 1 87 ARG HB3 1 88 THR H . . 4.400 3.062 1.978 4.363 . 0 0 "[ . 1 . 2]" 2
439 1 87 ARG QG 1 88 THR H . . 4.290 3.851 1.960 4.258 . 0 0 "[ . 1 . 2]" 2
440 1 88 THR H 1 88 THR HB . . 3.790 2.727 2.532 3.612 . 0 0 "[ . 1 . 2]" 2
441 1 88 THR H 1 88 THR MG . . 4.250 3.192 1.913 3.826 . 0 0 "[ . 1 . 2]" 2
442 1 88 THR H 1 89 LEU H . . 3.610 2.754 2.293 3.123 . 0 0 "[ . 1 . 2]" 2
443 1 88 THR H 1 90 ALA H . . 4.390 4.209 3.819 4.418 0.028 20 0 "[ . 1 . 2]" 2
444 1 89 LEU HG 1 90 ALA H . . 4.230 3.661 3.356 4.141 . 0 0 "[ . 1 . 2]" 2
445 1 88 THR HA 1 91 VAL H . . 3.810 3.557 3.205 3.810 0.000 9 0 "[ . 1 . 2]" 2
446 1 88 THR HA 1 92 HIS H . . 4.620 4.228 3.681 4.661 0.041 20 0 "[ . 1 . 2]" 2
447 1 88 THR HB 1 89 LEU H . . 4.210 2.901 2.129 4.132 . 0 0 "[ . 1 . 2]" 2
448 1 89 LEU H 1 89 LEU MD1 . . 4.660 4.093 3.944 4.269 . 0 0 "[ . 1 . 2]" 2
449 1 89 LEU H 1 89 LEU MD2 . . 5.050 4.196 4.064 4.264 . 0 0 "[ . 1 . 2]" 2
450 1 89 LEU H 1 89 LEU HB2 . . 3.770 2.569 2.402 2.819 . 0 0 "[ . 1 . 2]" 2
451 1 89 LEU H 1 89 LEU HB3 . . 3.770 2.471 2.262 2.665 . 0 0 "[ . 1 . 2]" 2
452 1 89 LEU H 1 89 LEU HG . . 4.530 4.451 4.278 4.542 0.012 1 0 "[ . 1 . 2]" 2
453 1 89 LEU H 1 90 ALA H . . 3.450 2.794 2.301 2.987 . 0 0 "[ . 1 . 2]" 2
454 1 89 LEU HB2 1 90 ALA H . . 4.050 3.942 3.721 4.051 0.001 7 0 "[ . 1 . 2]" 2
455 1 89 LEU HB3 1 90 ALA H . . 4.050 2.641 2.281 2.931 . 0 0 "[ . 1 . 2]" 2
456 1 89 LEU MD2 1 90 ALA H . . 4.840 4.201 3.910 4.677 . 0 0 "[ . 1 . 2]" 2
457 1 90 ALA H 1 90 ALA MB . . 2.930 2.125 2.032 2.236 . 0 0 "[ . 1 . 2]" 2
458 1 90 ALA H 1 91 VAL H . . 3.580 2.794 2.481 3.075 . 0 0 "[ . 1 . 2]" 2
459 1 89 LEU H 1 92 HIS H . . 5.410 4.797 4.644 4.991 . 0 0 "[ . 1 . 2]" 2
460 1 92 HIS H 1 92 HIS HD2 . . 5.500 4.802 4.444 5.177 . 0 0 "[ . 1 . 2]" 2
461 1 90 ALA HA 1 93 LYS H . . 4.220 3.764 3.287 4.178 . 0 0 "[ . 1 . 2]" 2
462 1 90 ALA MB 1 91 VAL H . . 3.380 2.470 2.013 2.971 . 0 0 "[ . 1 . 2]" 2
463 1 91 VAL H 1 91 VAL HB . . 3.240 2.542 2.393 2.687 . 0 0 "[ . 1 . 2]" 2
464 1 91 VAL H 1 91 VAL MG1 . . 3.790 3.455 2.113 3.780 . 0 0 "[ . 1 . 2]" 2
465 1 91 VAL H 1 91 VAL MG2 . . 3.790 2.447 1.879 3.765 . 0 0 "[ . 1 . 2]" 2
466 1 91 VAL H 1 92 HIS H . . 3.500 2.639 2.384 2.873 . 0 0 "[ . 1 . 2]" 2
467 1 91 VAL H 1 93 LYS H . . 4.720 4.330 3.939 4.652 . 0 0 "[ . 1 . 2]" 2
468 1 91 VAL HA 1 94 THR H . . 4.450 3.779 3.463 4.248 . 0 0 "[ . 1 . 2]" 2
469 1 91 VAL MG1 1 92 HIS H . . 4.000 3.301 2.223 3.878 . 0 0 "[ . 1 . 2]" 2
470 1 91 VAL MG2 1 92 HIS H . . 4.000 3.842 3.669 4.001 0.001 2 0 "[ . 1 . 2]" 2
471 1 92 HIS H 1 92 HIS HB2 . . 3.410 2.823 2.518 3.067 . 0 0 "[ . 1 . 2]" 2
472 1 92 HIS H 1 92 HIS HB3 . . 3.410 2.337 2.196 2.576 . 0 0 "[ . 1 . 2]" 2
473 1 92 HIS H 1 93 LYS H . . 3.620 2.705 2.322 3.011 . 0 0 "[ . 1 . 2]" 2
474 1 92 HIS H 1 94 THR H . . 4.740 4.172 3.673 4.694 . 0 0 "[ . 1 . 2]" 2
475 1 92 HIS HD2 1 93 LYS H . . 4.150 3.449 2.471 4.061 . 0 0 "[ . 1 . 2]" 2
476 1 93 LYS H 1 93 LYS QB . . 3.240 2.344 2.229 2.504 . 0 0 "[ . 1 . 2]" 2
477 1 93 LYS H 1 93 LYS HG2 . . 3.740 3.084 2.210 3.886 0.146 15 0 "[ . 1 . 2]" 2
478 1 93 LYS H 1 93 LYS HG3 . . 3.740 3.211 2.441 3.718 . 0 0 "[ . 1 . 2]" 2
479 1 93 LYS H 1 94 THR H . . 3.510 2.853 2.379 3.055 . 0 0 "[ . 1 . 2]" 2
480 1 93 LYS HA 1 95 LEU H . . 4.900 4.491 3.599 4.849 . 0 0 "[ . 1 . 2]" 2
481 1 93 LYS HA 1 96 HIS H . . 4.210 3.731 3.274 4.161 . 0 0 "[ . 1 . 2]" 2
482 1 93 LYS QB 1 94 THR H . . 3.780 2.749 2.437 3.195 . 0 0 "[ . 1 . 2]" 2
483 1 94 THR H 1 94 THR HB . . 3.810 3.629 3.608 3.680 . 0 0 "[ . 1 . 2]" 2
484 1 94 THR H 1 94 THR MG . . 3.140 2.224 1.892 2.855 . 0 0 "[ . 1 . 2]" 2
485 1 94 THR H 1 95 LEU H . . 3.440 2.732 2.311 3.118 . 0 0 "[ . 1 . 2]" 2
486 1 94 THR H 1 96 HIS H . . 4.600 4.177 3.860 4.515 . 0 0 "[ . 1 . 2]" 2
487 1 94 THR HA 1 97 MET H . . 4.820 4.146 3.342 4.821 0.001 13 0 "[ . 1 . 2]" 2
488 1 94 THR HB 1 95 LEU H . . 4.150 3.604 3.204 4.146 . 0 0 "[ . 1 . 2]" 2
489 1 95 LEU H 1 95 LEU HB2 . . 3.770 2.667 2.290 3.642 . 0 0 "[ . 1 . 2]" 2
490 1 95 LEU H 1 95 LEU HB3 . . 3.770 3.240 2.161 3.613 . 0 0 "[ . 1 . 2]" 2
491 1 95 LEU H 1 95 LEU HG . . 3.380 2.695 2.200 3.387 0.007 8 0 "[ . 1 . 2]" 2
492 1 95 LEU H 1 95 LEU MD2 . . 4.580 3.656 3.215 4.131 . 0 0 "[ . 1 . 2]" 2
493 1 95 LEU H 1 96 HIS H . . 3.380 2.823 2.268 3.050 . 0 0 "[ . 1 . 2]" 2
494 1 95 LEU HB2 1 96 HIS H . . 4.460 3.132 2.487 4.251 . 0 0 "[ . 1 . 2]" 2
495 1 95 LEU HB3 1 96 HIS H . . 4.460 3.569 3.182 4.096 . 0 0 "[ . 1 . 2]" 2
496 1 96 HIS H 1 96 HIS HB2 . . 3.670 2.322 2.208 2.461 . 0 0 "[ . 1 . 2]" 2
497 1 96 HIS H 1 96 HIS HB3 . . 3.670 3.568 3.492 3.653 . 0 0 "[ . 1 . 2]" 2
498 1 96 HIS H 1 96 HIS HD2 . . 4.070 3.555 3.126 4.062 . 0 0 "[ . 1 . 2]" 2
499 1 96 HIS H 1 97 MET H . . 3.830 3.043 2.572 3.382 . 0 0 "[ . 1 . 2]" 2
500 1 96 HIS HB2 1 97 MET H . . 4.900 3.379 1.997 4.397 . 0 0 "[ . 1 . 2]" 2
501 1 96 HIS HB3 1 97 MET H . . 4.900 3.716 2.517 4.429 . 0 0 "[ . 1 . 2]" 2
502 1 103 THR HB 1 104 ALA H . . 5.500 3.602 2.263 4.445 . 0 0 "[ . 1 . 2]" 2
503 1 53 LYS H 1 55 PHE QE . . 4.390 3.236 2.929 3.574 . 0 0 "[ . 1 . 2]" 2
504 1 25 ARG H 1 27 PHE QE . . 4.420 3.362 3.050 3.761 . 0 0 "[ . 1 . 2]" 2
505 1 41 THR MG 1 42 ASP H . . 4.640 3.860 1.894 4.397 . 0 0 "[ . 1 . 2]" 2
506 1 18 PHE H 1 33 LEU MD2 . . 4.250 4.105 3.470 4.257 0.007 1 0 "[ . 1 . 2]" 2
507 1 18 PHE H 1 18 PHE QE . . 5.220 4.755 3.898 5.217 . 0 0 "[ . 1 . 2]" 2
508 1 26 HIS H 1 26 HIS HD2 . . 3.910 2.163 1.905 2.662 . 0 0 "[ . 1 . 2]" 2
509 1 88 THR MG 1 92 HIS H . . 5.500 4.286 3.169 5.464 . 0 0 "[ . 1 . 2]" 2
510 1 92 HIS H 1 94 THR MG . . 5.500 4.799 4.110 5.351 . 0 0 "[ . 1 . 2]" 2
511 1 22 PHE H 1 22 PHE QE . . 4.230 4.167 4.042 4.234 0.004 6 0 "[ . 1 . 2]" 2
512 1 76 CYS HB2 1 78 GLU H . . 5.010 4.826 4.415 5.007 . 0 0 "[ . 1 . 2]" 2
513 1 61 LEU MD2 1 62 ARG H . . 4.350 4.162 3.674 4.352 0.002 9 0 "[ . 1 . 2]" 2
514 1 21 LYS H 1 22 PHE QE . . 4.810 4.555 4.008 4.802 . 0 0 "[ . 1 . 2]" 2
515 1 46 TYR H 1 46 TYR QE . . 4.200 4.001 3.708 4.254 0.054 9 0 "[ . 1 . 2]" 2
516 1 61 LEU MD1 1 64 HIS H . . 4.870 4.630 4.343 4.840 . 0 0 "[ . 1 . 2]" 2
517 1 27 PHE H 1 33 LEU MD1 . . 4.850 4.551 3.974 4.851 0.001 18 0 "[ . 1 . 2]" 2
518 1 19 ILE MG 1 27 PHE H . . 5.430 4.784 4.556 5.081 . 0 0 "[ . 1 . 2]" 2
519 1 19 ILE MD 1 27 PHE H . . 5.500 5.045 4.817 5.395 . 0 0 "[ . 1 . 2]" 2
520 1 27 PHE H 1 27 PHE QE . . 4.900 4.816 4.633 4.906 0.006 15 0 "[ . 1 . 2]" 2
521 1 29 LYS H 1 29 LYS QG . . 4.170 3.142 1.894 4.184 0.014 7 0 "[ . 1 . 2]" 2
522 1 33 LEU MD1 1 36 HIS H . . 5.170 4.488 4.139 4.788 . 0 0 "[ . 1 . 2]" 2
523 1 40 HIS H 1 41 THR MG . . 4.510 3.767 3.253 4.357 . 0 0 "[ . 1 . 2]" 2
524 1 55 PHE H 1 61 LEU MD2 . . 4.930 4.500 4.019 4.912 . 0 0 "[ . 1 . 2]" 2
525 1 46 TYR QD 1 55 PHE H . . 4.630 4.149 3.718 4.632 0.002 7 0 "[ . 1 . 2]" 2
526 1 46 TYR QD 1 47 THR H . . 4.810 4.690 4.117 4.875 0.065 1 0 "[ . 1 . 2]" 2
527 1 73 PRO HG3 1 74 PHE H . . 4.350 4.050 3.531 4.343 . 0 0 "[ . 1 . 2]" 2
528 1 73 PRO HB2 1 74 PHE H . . 4.500 3.472 2.880 3.762 . 0 0 "[ . 1 . 2]" 2
529 1 89 LEU HA 1 91 VAL H . . 5.300 4.622 3.861 5.280 . 0 0 "[ . 1 . 2]" 2
530 1 61 LEU HA 1 63 ASP H . . 5.340 4.876 4.231 5.209 . 0 0 "[ . 1 . 2]" 2
531 1 62 ARG QD 1 63 ASP H . . 5.500 4.179 2.586 5.012 . 0 0 "[ . 1 . 2]" 2
532 1 67 ILE MG 1 68 HIS H . . 4.080 3.839 3.533 3.954 . 0 0 "[ . 1 . 2]" 2
533 1 61 LEU MD1 1 65 ARG H . . 4.420 3.944 3.512 4.273 . 0 0 "[ . 1 . 2]" 2
534 1 65 ARG H 1 65 ARG HD2 . . 5.500 4.863 4.349 5.530 0.030 13 0 "[ . 1 . 2]" 2
535 1 65 ARG H 1 65 ARG HD3 . . 5.500 4.616 3.570 5.233 . 0 0 "[ . 1 . 2]" 2
536 1 50 ILE MD 1 51 CYS H . . 4.320 3.943 3.799 4.078 . 0 0 "[ . 1 . 2]" 2
537 1 89 LEU MD1 1 93 LYS H . . 4.580 4.041 3.578 4.488 . 0 0 "[ . 1 . 2]" 2
538 1 29 LYS QG 1 32 ASN H . . 3.910 3.047 1.882 3.917 0.007 12 0 "[ . 1 . 2]" 2
539 1 48 CYS H 1 55 PHE QE . . 4.180 2.854 2.367 3.376 . 0 0 "[ . 1 . 2]" 2
540 1 48 CYS H 1 55 PHE QD . . 4.670 4.023 3.691 4.496 . 0 0 "[ . 1 . 2]" 2
541 1 78 GLU HB2 1 80 GLY H . . 4.390 4.184 3.997 4.323 . 0 0 "[ . 1 . 2]" 2
542 1 76 CYS H 1 83 PHE QE . . 4.510 3.550 1.908 4.507 . 0 0 "[ . 1 . 2]" 2
543 1 76 CYS H 1 83 PHE QD . . 4.680 3.501 2.634 4.568 . 0 0 "[ . 1 . 2]" 2
544 1 19 ILE MG 1 24 GLY H . . 4.190 4.010 3.789 4.182 . 0 0 "[ . 1 . 2]" 2
545 1 18 PHE QD 1 19 ILE H . . 4.170 3.778 3.341 4.204 0.034 15 0 "[ . 1 . 2]" 2
546 1 75 LYS H 1 89 LEU MD2 . . 4.380 3.727 2.553 4.350 . 0 0 "[ . 1 . 2]" 2
547 1 10 LEU HA 1 11 PRO HD2 . . 3.520 2.172 1.916 2.432 . 0 0 "[ . 1 . 2]" 2
548 1 10 LEU HA 1 11 PRO HD3 . . 3.520 2.339 2.253 3.249 . 0 0 "[ . 1 . 2]" 2
549 1 15 LYS HA 1 15 LYS QD . . 4.100 3.503 2.086 4.201 0.101 16 0 "[ . 1 . 2]" 2
550 1 16 LYS HA 1 16 LYS QG . . 3.930 2.545 2.185 3.429 . 0 0 "[ . 1 . 2]" 2
551 1 16 LYS QB 1 16 LYS QE . . 4.570 3.165 2.176 3.797 . 0 0 "[ . 1 . 2]" 2
552 1 17 GLU HA 1 17 GLU HG2 . . 4.200 3.388 2.538 4.194 . 0 0 "[ . 1 . 2]" 2
553 1 17 GLU HA 1 17 GLU HG3 . . 4.200 3.398 2.352 4.201 0.001 9 0 "[ . 1 . 2]" 2
554 1 18 PHE HA 1 18 PHE QD . . 4.360 2.624 2.261 3.692 . 0 0 "[ . 1 . 2]" 2
555 1 18 PHE HB3 1 33 LEU MD2 . . 3.440 2.277 1.855 3.175 . 0 0 "[ . 1 . 2]" 2
556 1 18 PHE QE 1 30 SER HB2 . . 4.210 3.032 2.007 4.129 . 0 0 "[ . 1 . 2]" 2
557 1 18 PHE QE 1 30 SER HB3 . . 4.210 2.954 2.051 4.079 . 0 0 "[ . 1 . 2]" 2
558 1 18 PHE QD 1 30 SER HA . . 4.500 2.642 2.030 3.867 . 0 0 "[ . 1 . 2]" 2
559 1 19 ILE MG 1 26 HIS H . . 4.700 3.774 3.282 4.441 . 0 0 "[ . 1 . 2]" 2
560 1 19 ILE HG12 1 26 HIS H . . 5.480 4.379 3.820 5.439 . 0 0 "[ . 1 . 2]" 2
561 1 18 PHE HA 1 19 ILE MD . . 4.990 4.439 4.097 4.686 . 0 0 "[ . 1 . 2]" 2
562 1 19 ILE HA 1 26 HIS HA . . 4.860 2.821 2.517 3.273 . 0 0 "[ . 1 . 2]" 2
563 1 19 ILE HB 1 19 ILE MD . . 3.220 2.196 2.106 2.284 . 0 0 "[ . 1 . 2]" 2
564 1 19 ILE HG12 1 19 ILE MG . . 3.480 2.164 2.065 2.344 . 0 0 "[ . 1 . 2]" 2
565 1 19 ILE HG13 1 19 ILE MG . . 3.590 3.162 3.135 3.191 . 0 0 "[ . 1 . 2]" 2
566 1 19 ILE MG 1 24 GLY HA2 . . 3.670 2.333 2.148 2.548 . 0 0 "[ . 1 . 2]" 2
567 1 19 ILE MG 1 24 GLY HA3 . . 3.670 3.277 3.054 3.592 . 0 0 "[ . 1 . 2]" 2
568 1 19 ILE MG 1 25 ARG H . . 4.000 2.806 1.870 3.536 . 0 0 "[ . 1 . 2]" 2
569 1 19 ILE MD 1 26 HIS HA . . 4.600 3.886 3.592 4.217 . 0 0 "[ . 1 . 2]" 2
570 1 19 ILE MD 1 26 HIS HE1 . . 4.050 2.768 2.253 3.661 . 0 0 "[ . 1 . 2]" 2
571 1 20 CYS HA 1 33 LEU MD1 . . 3.800 2.440 2.041 2.997 . 0 0 "[ . 1 . 2]" 2
572 1 20 CYS HB3 1 33 LEU MD1 . . 4.270 4.074 3.839 4.265 . 0 0 "[ . 1 . 2]" 2
573 1 20 CYS HB2 1 33 LEU MD1 . . 3.530 2.818 2.572 3.007 . 0 0 "[ . 1 . 2]" 2
574 1 20 CYS HB3 1 36 HIS HD2 . . 4.400 4.231 3.762 4.392 . 0 0 "[ . 1 . 2]" 2
575 1 20 CYS HB2 1 36 HIS HD2 . . 4.030 2.872 2.360 3.164 . 0 0 "[ . 1 . 2]" 2
576 1 21 LYS QB 1 21 LYS QE . . 3.800 2.967 2.123 3.663 . 0 0 "[ . 1 . 2]" 2
577 1 21 LYS QE 1 21 LYS HG2 . . 3.660 2.790 2.079 3.477 . 0 0 "[ . 1 . 2]" 2
578 1 21 LYS QE 1 21 LYS HG3 . . 3.660 2.446 2.084 3.253 . 0 0 "[ . 1 . 2]" 2
579 1 21 LYS QE 1 22 PHE QE . . 4.250 3.272 2.311 4.113 . 0 0 "[ . 1 . 2]" 2
580 1 21 LYS QE 1 22 PHE HZ . . 4.760 3.553 2.476 4.761 0.001 8 0 "[ . 1 . 2]" 2
581 1 22 PHE HA 1 22 PHE QD . . 3.970 2.818 2.576 3.113 . 0 0 "[ . 1 . 2]" 2
582 1 23 CYS HA 1 40 HIS HE1 . . 4.430 4.179 3.888 4.420 . 0 0 "[ . 1 . 2]" 2
583 1 23 CYS HB2 1 40 HIS HE1 . . 4.210 4.026 3.698 4.212 0.002 15 0 "[ . 1 . 2]" 2
584 1 23 CYS HB3 1 40 HIS HE1 . . 4.210 2.303 2.002 2.486 . 0 0 "[ . 1 . 2]" 2
585 1 25 ARG H 1 25 ARG HG2 . . 4.790 4.443 4.141 4.747 . 0 0 "[ . 1 . 2]" 2
586 1 25 ARG HA 1 25 ARG HG2 . . 3.960 3.217 2.167 3.885 . 0 0 "[ . 1 . 2]" 2
587 1 25 ARG HA 1 25 ARG HG3 . . 3.960 2.691 2.405 3.468 . 0 0 "[ . 1 . 2]" 2
588 1 44 ARG HB3 1 44 ARG QD . . 3.810 2.522 2.074 3.412 . 0 0 "[ . 1 . 2]" 2
589 1 25 ARG HB2 1 27 PHE QE . . 4.370 3.783 2.656 4.203 . 0 0 "[ . 1 . 2]" 2
590 1 25 ARG HB3 1 27 PHE QE . . 4.370 2.245 2.004 2.937 . 0 0 "[ . 1 . 2]" 2
591 1 27 PHE HB2 1 33 LEU HA . . 4.330 3.879 3.479 4.144 . 0 0 "[ . 1 . 2]" 2
592 1 27 PHE HB3 1 33 LEU HA . . 4.330 3.851 3.529 4.117 . 0 0 "[ . 1 . 2]" 2
593 1 27 PHE HZ 1 33 LEU MD1 . . 5.020 3.340 3.030 3.711 . 0 0 "[ . 1 . 2]" 2
594 1 83 PHE HZ 1 89 LEU MD1 . . 5.500 4.037 2.322 5.313 . 0 0 "[ . 1 . 2]" 2
595 1 27 PHE HZ 1 36 HIS QB . . 4.070 2.628 2.129 3.071 . 0 0 "[ . 1 . 2]" 2
596 1 27 PHE QE 1 33 LEU HA . . 4.920 3.185 2.780 3.451 . 0 0 "[ . 1 . 2]" 2
597 1 27 PHE QE 1 33 LEU MD1 . . 3.770 2.550 2.175 2.926 . 0 0 "[ . 1 . 2]" 2
598 1 27 PHE QE 1 36 HIS QB . . 3.960 2.187 1.956 2.606 . 0 0 "[ . 1 . 2]" 2
599 1 27 PHE QE 1 36 HIS HD2 . . 4.100 3.329 2.970 3.568 . 0 0 "[ . 1 . 2]" 2
600 1 27 PHE QD 1 33 LEU HA . . 3.790 3.000 2.618 3.402 . 0 0 "[ . 1 . 2]" 2
601 1 27 PHE QD 1 33 LEU HB2 . . 4.850 3.375 2.924 3.711 . 0 0 "[ . 1 . 2]" 2
602 1 27 PHE QD 1 33 LEU HB3 . . 4.850 4.715 4.414 4.857 0.007 7 0 "[ . 1 . 2]" 2
603 1 27 PHE QD 1 33 LEU MD1 . . 3.570 2.469 2.033 2.837 . 0 0 "[ . 1 . 2]" 2
604 1 27 PHE QD 1 36 HIS QB . . 4.110 3.910 3.510 4.117 0.007 6 0 "[ . 1 . 2]" 2
605 1 29 LYS QB 1 32 ASN QB . . 4.440 2.605 1.843 3.948 . 0 0 "[ . 1 . 2]" 2
606 1 29 LYS QE 1 29 LYS QG . . 3.390 2.253 2.071 2.603 . 0 0 "[ . 1 . 2]" 2
607 1 30 SER HA 1 33 LEU HB3 . . 4.470 3.253 2.796 3.639 . 0 0 "[ . 1 . 2]" 2
608 1 30 SER HA 1 33 LEU HB2 . . 4.470 3.700 3.198 4.138 . 0 0 "[ . 1 . 2]" 2
609 1 30 SER HA 1 33 LEU MD2 . . 4.180 3.542 3.139 3.939 . 0 0 "[ . 1 . 2]" 2
610 1 31 TYR HA 1 31 TYR QD . . 3.730 3.144 2.900 3.625 . 0 0 "[ . 1 . 2]" 2
611 1 31 TYR HA 1 34 LEU HG . . 3.690 3.436 3.107 3.670 . 0 0 "[ . 1 . 2]" 2
612 1 31 TYR HA 1 34 LEU HB3 . . 3.880 3.332 3.163 3.469 . 0 0 "[ . 1 . 2]" 2
613 1 31 TYR HA 1 34 LEU HB2 . . 5.090 4.877 4.705 5.032 . 0 0 "[ . 1 . 2]" 2
614 1 31 TYR HA 1 34 LEU MD2 . . 4.200 2.263 1.988 2.624 . 0 0 "[ . 1 . 2]" 2
615 1 31 TYR QE 1 35 ILE HG12 . . 4.470 2.650 2.022 4.473 0.003 12 0 "[ . 1 . 2]" 2
616 1 31 TYR QE 1 35 ILE HG13 . . 4.470 2.855 2.342 3.753 . 0 0 "[ . 1 . 2]" 2
617 1 31 TYR QE 1 35 ILE MD . . 3.680 2.038 1.784 2.517 . 0 0 "[ . 1 . 2]" 2
618 1 31 TYR QD 1 35 ILE HB . . 4.380 4.194 3.880 4.386 0.006 18 0 "[ . 1 . 2]" 2
619 1 31 TYR QD 1 34 LEU MD2 . . 4.140 2.952 2.586 3.559 . 0 0 "[ . 1 . 2]" 2
620 1 31 TYR QD 1 35 ILE HG12 . . 4.640 3.363 2.753 3.906 . 0 0 "[ . 1 . 2]" 2
621 1 31 TYR QD 1 35 ILE HG13 . . 4.640 2.198 1.998 2.511 . 0 0 "[ . 1 . 2]" 2
622 1 31 TYR QD 1 32 ASN HA . . 4.380 3.083 2.755 3.434 . 0 0 "[ . 1 . 2]" 2
623 1 32 ASN HA 1 35 ILE HB . . 3.710 2.885 2.679 3.096 . 0 0 "[ . 1 . 2]" 2
624 1 32 ASN HA 1 35 ILE HG13 . . 4.760 2.998 2.428 3.481 . 0 0 "[ . 1 . 2]" 2
625 1 32 ASN HA 1 35 ILE HG12 . . 4.760 4.485 4.037 4.713 . 0 0 "[ . 1 . 2]" 2
626 1 33 LEU HA 1 33 LEU HG . . 4.180 3.252 3.066 3.425 . 0 0 "[ . 1 . 2]" 2
627 1 33 LEU HA 1 33 LEU MD1 . . 3.140 2.239 1.975 2.586 . 0 0 "[ . 1 . 2]" 2
628 1 18 PHE HB2 1 33 LEU MD2 . . 3.440 2.017 1.835 2.246 . 0 0 "[ . 1 . 2]" 2
629 1 33 LEU HA 1 36 HIS H . . 4.440 3.564 3.399 3.787 . 0 0 "[ . 1 . 2]" 2
630 1 33 LEU HB2 1 33 LEU MD1 . . 3.660 2.287 2.109 2.492 . 0 0 "[ . 1 . 2]" 2
631 1 33 LEU HB3 1 33 LEU MD1 . . 3.660 3.181 3.156 3.196 . 0 0 "[ . 1 . 2]" 2
632 1 33 LEU MD1 1 36 HIS HD2 . . 3.550 2.861 2.507 3.232 . 0 0 "[ . 1 . 2]" 2
633 1 34 LEU H 1 34 LEU HB2 . . 3.650 3.487 3.457 3.529 . 0 0 "[ . 1 . 2]" 2
634 1 34 LEU HA 1 34 LEU HG . . 4.030 3.718 3.673 3.757 . 0 0 "[ . 1 . 2]" 2
635 1 34 LEU HA 1 34 LEU MD1 . . 3.470 3.225 3.158 3.314 . 0 0 "[ . 1 . 2]" 2
636 1 34 LEU HA 1 37 GLU H . . 4.400 3.302 2.984 3.554 . 0 0 "[ . 1 . 2]" 2
637 1 34 LEU HA 1 37 GLU HB3 . . 4.360 4.096 3.789 4.360 0.000 2 0 "[ . 1 . 2]" 2
638 1 34 LEU HA 1 37 GLU HG2 . . 4.550 4.226 3.811 4.545 . 0 0 "[ . 1 . 2]" 2
639 1 34 LEU HA 1 37 GLU HG3 . . 4.550 2.731 2.133 3.311 . 0 0 "[ . 1 . 2]" 2
640 1 34 LEU HB3 1 34 LEU MD1 . . 3.590 3.151 3.129 3.163 . 0 0 "[ . 1 . 2]" 2
641 1 34 LEU HB3 1 34 LEU MD2 . . 3.530 2.106 1.980 2.270 . 0 0 "[ . 1 . 2]" 2
642 1 34 LEU HB2 1 35 ILE H . . 4.080 3.996 3.961 4.033 . 0 0 "[ . 1 . 2]" 2
643 1 34 LEU HB3 1 35 ILE H . . 4.090 3.579 3.527 3.639 . 0 0 "[ . 1 . 2]" 2
644 1 34 LEU HB2 1 34 LEU MD1 . . 3.420 2.170 2.065 2.220 . 0 0 "[ . 1 . 2]" 2
645 1 34 LEU HG 1 35 ILE HA . . 4.630 3.424 3.334 3.575 . 0 0 "[ . 1 . 2]" 2
646 1 34 LEU HG 1 35 ILE MD . . 4.480 3.962 3.674 4.113 . 0 0 "[ . 1 . 2]" 2
647 1 34 LEU MD2 1 35 ILE H . . 4.630 3.649 3.575 3.809 . 0 0 "[ . 1 . 2]" 2
648 1 35 ILE H 1 35 ILE MG . . 3.800 3.761 3.753 3.766 . 0 0 "[ . 1 . 2]" 2
649 1 35 ILE HA 1 35 ILE MG . . 3.280 2.398 2.293 2.486 . 0 0 "[ . 1 . 2]" 2
650 1 35 ILE HA 1 35 ILE HG12 . . 3.930 2.449 2.364 2.633 . 0 0 "[ . 1 . 2]" 2
651 1 35 ILE HA 1 35 ILE HG13 . . 3.930 3.093 2.907 3.309 . 0 0 "[ . 1 . 2]" 2
652 1 35 ILE HA 1 35 ILE MD . . 4.030 3.765 3.682 3.873 . 0 0 "[ . 1 . 2]" 2
653 1 35 ILE HA 1 38 ARG QD . . 4.070 2.477 2.011 3.093 . 0 0 "[ . 1 . 2]" 2
654 1 35 ILE HB 1 35 ILE MD . . 3.450 2.453 2.361 2.566 . 0 0 "[ . 1 . 2]" 2
655 1 35 ILE HB 1 36 HIS QB . . 4.740 4.046 3.901 4.146 . 0 0 "[ . 1 . 2]" 2
656 1 35 ILE HG12 1 35 ILE MG . . 3.460 2.440 2.335 2.554 . 0 0 "[ . 1 . 2]" 2
657 1 35 ILE HG13 1 35 ILE MG . . 3.460 3.190 3.171 3.201 . 0 0 "[ . 1 . 2]" 2
658 1 35 ILE MD 1 35 ILE MG . . 2.970 1.944 1.852 2.016 . 0 0 "[ . 1 . 2]" 2
659 1 35 ILE MG 1 36 HIS H . . 3.810 3.523 3.136 3.814 0.004 8 0 "[ . 1 . 2]" 2
660 1 35 ILE MG 1 36 HIS HA . . 3.880 3.514 3.155 3.855 . 0 0 "[ . 1 . 2]" 2
661 1 36 HIS HA 1 39 THR MG . . 3.490 2.889 2.126 3.524 0.034 20 0 "[ . 1 . 2]" 2
662 1 36 HIS HD2 1 37 GLU H . . 4.710 3.535 2.825 4.334 . 0 0 "[ . 1 . 2]" 2
663 1 36 HIS HD2 1 37 GLU HA . . 4.120 3.524 2.946 4.059 . 0 0 "[ . 1 . 2]" 2
664 1 36 HIS HD2 1 40 HIS HD2 . . 4.470 3.525 3.258 3.928 . 0 0 "[ . 1 . 2]" 2
665 1 34 LEU HA 1 37 GLU HB2 . . 4.360 2.572 2.164 2.929 . 0 0 "[ . 1 . 2]" 2
666 1 37 GLU HA 1 37 GLU HG2 . . 4.020 2.396 2.279 2.531 . 0 0 "[ . 1 . 2]" 2
667 1 37 GLU HA 1 37 GLU HG3 . . 4.020 3.244 2.867 3.671 . 0 0 "[ . 1 . 2]" 2
668 1 37 GLU HA 1 40 HIS HD2 . . 3.490 2.258 2.000 2.641 . 0 0 "[ . 1 . 2]" 2
669 1 38 ARG H 1 38 ARG HB2 . . 3.870 2.838 2.427 3.622 . 0 0 "[ . 1 . 2]" 2
670 1 38 ARG HA 1 38 ARG HG2 . . 4.190 2.978 2.521 3.877 . 0 0 "[ . 1 . 2]" 2
671 1 38 ARG HA 1 38 ARG HG3 . . 4.190 3.202 2.903 3.802 . 0 0 "[ . 1 . 2]" 2
672 1 38 ARG HB2 1 38 ARG QD . . 3.740 2.407 2.149 2.961 . 0 0 "[ . 1 . 2]" 2
673 1 38 ARG HB3 1 38 ARG QD . . 3.740 2.654 2.244 3.125 . 0 0 "[ . 1 . 2]" 2
674 1 39 THR HA 1 39 THR MG . . 3.290 2.761 2.316 3.184 . 0 0 "[ . 1 . 2]" 2
675 1 41 THR HA 1 41 THR MG . . 3.270 2.558 2.169 3.206 . 0 0 "[ . 1 . 2]" 2
676 1 38 ARG HA 1 41 THR MG . . 3.400 2.586 2.065 3.356 . 0 0 "[ . 1 . 2]" 2
677 1 43 GLU HA 1 43 GLU HG2 . . 4.150 3.279 2.179 4.222 0.072 9 0 "[ . 1 . 2]" 2
678 1 43 GLU HA 1 43 GLU HG3 . . 4.150 3.502 2.427 4.222 0.072 19 0 "[ . 1 . 2]" 2
679 1 44 ARG HB2 1 44 ARG QD . . 3.810 2.805 2.143 3.458 . 0 0 "[ . 1 . 2]" 2
680 1 44 ARG HB2 1 54 ALA MB . . 3.910 3.145 2.230 3.910 0.000 4 0 "[ . 1 . 2]" 2
681 1 44 ARG HB3 1 54 ALA MB . . 3.910 3.130 2.384 3.914 0.004 15 0 "[ . 1 . 2]" 2
682 1 46 TYR QE 1 58 GLN HA . . 4.210 3.259 2.110 4.211 0.001 7 0 "[ . 1 . 2]" 2
683 1 58 GLN HA 1 61 LEU HB3 . . 4.970 2.639 2.261 3.037 . 0 0 "[ . 1 . 2]" 2
684 1 46 TYR HB2 1 61 LEU MD2 . . 4.040 3.627 2.773 3.996 . 0 0 "[ . 1 . 2]" 2
685 1 46 TYR HB3 1 61 LEU MD2 . . 4.040 2.230 1.967 2.583 . 0 0 "[ . 1 . 2]" 2
686 1 46 TYR QD 1 58 GLN HA . . 4.270 2.933 2.242 3.757 . 0 0 "[ . 1 . 2]" 2
687 1 47 THR HA 1 47 THR MG . . 3.530 2.353 2.151 3.165 . 0 0 "[ . 1 . 2]" 2
688 1 47 THR HA 1 48 CYS HB2 . . 4.880 4.279 4.228 4.347 . 0 0 "[ . 1 . 2]" 2
689 1 47 THR MG 1 52 HIS HA . . 3.830 2.262 1.966 2.698 . 0 0 "[ . 1 . 2]" 2
690 1 47 THR MG 1 52 HIS HB2 . . 4.960 3.648 2.192 4.825 . 0 0 "[ . 1 . 2]" 2
691 1 47 THR MG 1 48 CYS HB2 . . 4.810 4.229 3.869 4.644 . 0 0 "[ . 1 . 2]" 2
692 1 47 THR MG 1 52 HIS HB3 . . 4.960 3.115 2.232 4.655 . 0 0 "[ . 1 . 2]" 2
693 1 47 THR MG 1 53 LYS H . . 4.270 3.783 3.178 4.276 0.006 7 0 "[ . 1 . 2]" 2
694 1 48 CYS HA 1 61 LEU MD1 . . 3.660 2.440 1.969 2.866 . 0 0 "[ . 1 . 2]" 2
695 1 48 CYS HB2 1 61 LEU MD1 . . 4.210 3.216 2.596 3.592 . 0 0 "[ . 1 . 2]" 2
696 1 76 CYS HB2 1 89 LEU HG . . 5.500 5.085 4.344 5.468 . 0 0 "[ . 1 . 2]" 2
697 1 48 CYS HB3 1 55 PHE QE . . 4.200 4.084 3.712 4.197 . 0 0 "[ . 1 . 2]" 2
698 1 48 CYS HB2 1 64 HIS HD2 . . 4.520 4.344 3.911 4.518 . 0 0 "[ . 1 . 2]" 2
699 1 50 ILE HA 1 50 ILE MG . . 3.390 2.360 2.228 2.440 . 0 0 "[ . 1 . 2]" 2
700 1 50 ILE HA 1 50 ILE HG12 . . 3.960 2.655 2.577 2.780 . 0 0 "[ . 1 . 2]" 2
701 1 50 ILE HA 1 50 ILE HG13 . . 3.710 2.942 2.889 3.025 . 0 0 "[ . 1 . 2]" 2
702 1 50 ILE HA 1 50 ILE MD . . 4.030 3.883 3.847 3.939 . 0 0 "[ . 1 . 2]" 2
703 1 50 ILE HB 1 50 ILE MD . . 3.490 2.323 2.219 2.417 . 0 0 "[ . 1 . 2]" 2
704 1 50 ILE HB 1 68 HIS HD2 . . 4.670 3.882 3.116 4.223 . 0 0 "[ . 1 . 2]" 2
705 1 50 ILE HG12 1 50 ILE MG . . 3.750 2.265 2.163 2.375 . 0 0 "[ . 1 . 2]" 2
706 1 50 ILE HG13 1 50 ILE MG . . 3.480 3.187 3.172 3.198 . 0 0 "[ . 1 . 2]" 2
707 1 50 ILE MD 1 50 ILE MG . . 3.010 2.132 1.939 2.252 . 0 0 "[ . 1 . 2]" 2
708 1 50 ILE MD 1 68 HIS HB2 . . 4.160 3.023 2.502 3.524 . 0 0 "[ . 1 . 2]" 2
709 1 50 ILE MD 1 68 HIS HB3 . . 4.160 2.224 1.916 3.052 . 0 0 "[ . 1 . 2]" 2
710 1 50 ILE MD 1 68 HIS HD2 . . 3.900 3.185 1.913 3.723 . 0 0 "[ . 1 . 2]" 2
711 1 51 CYS H 1 51 CYS HB2 . . 4.180 3.590 3.544 3.613 . 0 0 "[ . 1 . 2]" 2
712 1 51 CYS HB2 1 68 HIS HE1 . . 4.230 3.768 3.530 4.217 . 0 0 "[ . 1 . 2]" 2
713 1 51 CYS HB3 1 68 HIS HE1 . . 4.230 2.183 2.000 2.600 . 0 0 "[ . 1 . 2]" 2
714 1 53 LYS HA 1 53 LYS HG2 . . 4.030 2.414 2.267 2.563 . 0 0 "[ . 1 . 2]" 2
715 1 53 LYS HA 1 53 LYS HG3 . . 3.570 2.814 2.624 2.964 . 0 0 "[ . 1 . 2]" 2
716 1 53 LYS HB2 1 55 PHE HZ . . 4.600 2.552 2.004 3.068 . 0 0 "[ . 1 . 2]" 2
717 1 53 LYS HB3 1 55 PHE HZ . . 4.600 3.236 2.836 3.852 . 0 0 "[ . 1 . 2]" 2
718 1 53 LYS HB2 1 55 PHE QE . . 4.230 2.609 2.192 2.912 . 0 0 "[ . 1 . 2]" 2
719 1 53 LYS HB3 1 55 PHE QE . . 4.230 3.139 2.826 3.553 . 0 0 "[ . 1 . 2]" 2
720 1 54 ALA MB 1 55 PHE QD . . 5.500 4.314 3.981 4.621 . 0 0 "[ . 1 . 2]" 2
721 1 53 LYS H 1 53 LYS HG2 . . 4.560 4.086 3.925 4.278 . 0 0 "[ . 1 . 2]" 2
722 1 53 LYS HD3 1 55 PHE HZ . . 4.620 3.485 2.720 4.420 . 0 0 "[ . 1 . 2]" 2
723 1 53 LYS HD2 1 55 PHE HZ . . 4.620 3.734 2.731 4.622 0.002 7 0 "[ . 1 . 2]" 2
724 1 53 LYS HD2 1 64 HIS HE1 . . 3.910 2.847 2.032 3.876 . 0 0 "[ . 1 . 2]" 2
725 1 53 LYS HD3 1 64 HIS HE1 . . 3.910 3.250 2.437 3.815 . 0 0 "[ . 1 . 2]" 2
726 1 55 PHE HZ 1 61 LEU HA . . 4.800 4.345 4.002 4.738 . 0 0 "[ . 1 . 2]" 2
727 1 55 PHE HZ 1 64 HIS HE1 . . 4.750 3.051 2.633 3.608 . 0 0 "[ . 1 . 2]" 2
728 1 55 PHE QE 1 61 LEU HA . . 4.490 3.606 3.176 3.935 . 0 0 "[ . 1 . 2]" 2
729 1 55 PHE QE 1 61 LEU MD1 . . 3.420 2.506 2.044 3.063 . 0 0 "[ . 1 . 2]" 2
730 1 55 PHE QE 1 64 HIS HB2 . . 4.570 3.045 2.675 3.684 . 0 0 "[ . 1 . 2]" 2
731 1 55 PHE QE 1 64 HIS HB3 . . 4.570 3.578 2.951 4.116 . 0 0 "[ . 1 . 2]" 2
732 1 55 PHE QD 1 61 LEU HA . . 4.140 3.451 3.142 3.841 . 0 0 "[ . 1 . 2]" 2
733 1 55 PHE QD 1 61 LEU MD1 . . 3.580 2.592 1.992 3.273 . 0 0 "[ . 1 . 2]" 2
734 1 27 PHE QD 1 32 ASN QB . . 3.710 2.648 2.018 3.243 . 0 0 "[ . 1 . 2]" 2
735 1 55 PHE QD 1 60 HIS HB2 . . 5.000 3.895 3.373 4.592 . 0 0 "[ . 1 . 2]" 2
736 1 55 PHE QD 1 60 HIS HB3 . . 5.000 3.307 2.584 4.057 . 0 0 "[ . 1 . 2]" 2
737 1 58 GLN HA 1 58 GLN QG . . 3.610 2.453 2.188 3.435 . 0 0 "[ . 1 . 2]" 2
738 1 58 GLN HA 1 61 LEU MD2 . . 4.360 3.281 2.708 3.797 . 0 0 "[ . 1 . 2]" 2
739 1 58 GLN HA 1 61 LEU HB2 . . 4.970 3.921 3.226 4.658 . 0 0 "[ . 1 . 2]" 2
740 1 59 ASP HA 1 62 ARG HB2 . . 4.080 3.074 2.265 4.085 0.005 9 0 "[ . 1 . 2]" 2
741 1 59 ASP HA 1 62 ARG HB3 . . 4.080 3.402 2.493 4.081 0.001 13 0 "[ . 1 . 2]" 2
742 1 60 HIS HA 1 60 HIS HD2 . . 4.830 3.165 2.154 4.398 . 0 0 "[ . 1 . 2]" 2
743 1 61 LEU HA 1 61 LEU MD1 . . 3.330 2.284 1.998 2.572 . 0 0 "[ . 1 . 2]" 2
744 1 89 LEU HA 1 89 LEU MD1 . . 3.580 2.221 2.040 2.430 . 0 0 "[ . 1 . 2]" 2
745 1 61 LEU HA 1 61 LEU MD2 . . 4.360 3.958 3.893 4.025 . 0 0 "[ . 1 . 2]" 2
746 1 89 LEU HA 1 89 LEU MD2 . . 4.680 3.929 3.877 3.995 . 0 0 "[ . 1 . 2]" 2
747 1 61 LEU MD1 1 64 HIS HD2 . . 3.420 2.944 2.340 3.366 . 0 0 "[ . 1 . 2]" 2
748 1 62 ARG H 1 62 ARG HG3 . . 4.690 3.743 2.387 4.595 . 0 0 "[ . 1 . 2]" 2
749 1 62 ARG HA 1 65 ARG QB . . 5.500 3.519 2.493 4.205 . 0 0 "[ . 1 . 2]" 2
750 1 62 ARG HG2 1 63 ASP H . . 4.820 4.220 3.154 4.827 0.007 8 0 "[ . 1 . 2]" 2
751 1 64 HIS HA 1 67 ILE MG . . 4.550 2.996 2.625 3.427 . 0 0 "[ . 1 . 2]" 2
752 1 64 HIS HD2 1 65 ARG HA . . 4.130 2.613 2.113 3.222 . 0 0 "[ . 1 . 2]" 2
753 1 64 HIS HD2 1 65 ARG QG . . 4.700 3.318 2.283 4.707 0.007 2 0 "[ . 1 . 2]" 2
754 1 64 HIS HE1 1 67 ILE MD . . 3.600 2.221 1.987 2.530 . 0 0 "[ . 1 . 2]" 2
755 1 65 ARG HA 1 65 ARG QG . . 3.940 2.433 2.155 3.438 . 0 0 "[ . 1 . 2]" 2
756 1 65 ARG HA 1 65 ARG HD3 . . 4.720 3.966 2.292 4.725 0.005 2 0 "[ . 1 . 2]" 2
757 1 65 ARG HA 1 65 ARG HD2 . . 4.720 4.067 2.455 4.762 0.042 17 0 "[ . 1 . 2]" 2
758 1 65 ARG HA 1 68 HIS HD2 . . 3.800 2.438 1.998 3.101 . 0 0 "[ . 1 . 2]" 2
759 1 65 ARG QB 1 65 ARG HD2 . . 3.890 2.630 2.085 3.291 . 0 0 "[ . 1 . 2]" 2
760 1 65 ARG QB 1 65 ARG HD3 . . 3.890 2.619 2.095 3.399 . 0 0 "[ . 1 . 2]" 2
761 1 65 ARG QG 1 68 HIS HD2 . . 4.590 3.288 2.119 4.593 0.003 6 0 "[ . 1 . 2]" 2
762 1 66 TYR H 1 67 ILE MG . . 4.650 3.918 3.534 4.182 . 0 0 "[ . 1 . 2]" 2
763 1 66 TYR HA 1 66 TYR QD . . 3.630 2.724 2.051 3.148 . 0 0 "[ . 1 . 2]" 2
764 1 67 ILE H 1 67 ILE MD . . 4.100 3.929 3.734 4.093 . 0 0 "[ . 1 . 2]" 2
765 1 67 ILE HA 1 67 ILE MG . . 3.370 2.447 2.391 2.519 . 0 0 "[ . 1 . 2]" 2
766 1 67 ILE HA 1 67 ILE HG12 . . 4.220 3.867 3.739 3.948 . 0 0 "[ . 1 . 2]" 2
767 1 67 ILE HA 1 67 ILE HG13 . . 4.220 3.575 3.531 3.640 . 0 0 "[ . 1 . 2]" 2
768 1 67 ILE HB 1 67 ILE MD . . 3.350 2.329 2.137 2.489 . 0 0 "[ . 1 . 2]" 2
769 1 67 ILE HG12 1 67 ILE MG . . 3.740 2.212 2.066 2.368 . 0 0 "[ . 1 . 2]" 2
770 1 67 ILE HG13 1 67 ILE MG . . 3.740 3.163 3.130 3.187 . 0 0 "[ . 1 . 2]" 2
771 1 67 ILE MD 1 67 ILE MG . . 3.090 2.201 1.910 2.477 . 0 0 "[ . 1 . 2]" 2
772 1 71 GLU HA 1 71 GLU HG2 . . 4.250 3.003 2.159 4.245 . 0 0 "[ . 1 . 2]" 2
773 1 71 GLU HA 1 71 GLU HG3 . . 4.250 3.002 2.203 3.860 . 0 0 "[ . 1 . 2]" 2
774 1 72 LYS HA 1 73 PRO HD2 . . 4.050 2.143 1.913 2.449 . 0 0 "[ . 1 . 2]" 2
775 1 72 LYS HA 1 73 PRO HD3 . . 4.050 2.308 2.255 2.502 . 0 0 "[ . 1 . 2]" 2
776 1 48 CYS HB3 1 49 ASP H . . 4.420 2.903 2.764 3.852 . 0 0 "[ . 1 . 2]" 2
777 1 76 CYS HA 1 89 LEU MD1 . . 3.680 3.023 2.031 3.674 . 0 0 "[ . 1 . 2]" 2
778 1 76 CYS HB2 1 89 LEU MD1 . . 3.360 2.649 2.384 2.904 . 0 0 "[ . 1 . 2]" 2
779 1 76 CYS HB3 1 89 LEU MD1 . . 3.980 3.860 3.395 3.982 0.002 20 0 "[ . 1 . 2]" 2
780 1 76 CYS HB2 1 92 HIS HD2 . . 4.010 2.850 2.075 3.846 . 0 0 "[ . 1 . 2]" 2
781 1 76 CYS HB3 1 92 HIS HD2 . . 4.520 4.206 3.407 4.519 . 0 0 "[ . 1 . 2]" 2
782 1 77 GLN HA 1 77 GLN QG . . 3.850 2.646 2.219 3.428 . 0 0 "[ . 1 . 2]" 2
783 1 78 GLU HA 1 78 GLU HG2 . . 4.120 2.799 2.250 3.579 . 0 0 "[ . 1 . 2]" 2
784 1 78 GLU HA 1 78 GLU HG3 . . 4.120 3.448 2.216 3.736 . 0 0 "[ . 1 . 2]" 2
785 1 79 CYS HA 1 96 HIS HE1 . . 4.670 4.341 3.832 4.671 0.001 20 0 "[ . 1 . 2]" 2
786 1 79 CYS HB2 1 96 HIS HE1 . . 4.420 4.217 3.813 4.422 0.002 15 0 "[ . 1 . 2]" 2
787 1 79 CYS HB3 1 96 HIS HE1 . . 4.420 2.504 2.066 2.728 . 0 0 "[ . 1 . 2]" 2
788 1 33 LEU HG 1 34 LEU HA . . 4.100 3.383 3.032 3.713 . 0 0 "[ . 1 . 2]" 2
789 1 53 LYS QE 1 53 LYS HG2 . . 3.750 2.535 2.175 2.944 . 0 0 "[ . 1 . 2]" 2
790 1 27 PHE HZ 1 36 HIS HD2 . . 4.510 2.529 2.271 2.934 . 0 0 "[ . 1 . 2]" 2
791 1 83 PHE HZ 1 92 HIS HD2 . . 4.330 3.521 2.166 4.326 . 0 0 "[ . 1 . 2]" 2
792 1 83 PHE HZ 1 92 HIS HE1 . . 4.980 3.604 2.538 4.980 0.000 2 0 "[ . 1 . 2]" 2
793 1 83 PHE QD 1 89 LEU HA . . 4.250 3.633 2.397 4.153 . 0 0 "[ . 1 . 2]" 2
794 1 87 ARG HA 1 87 ARG QG . . 3.910 2.542 2.167 3.452 . 0 0 "[ . 1 . 2]" 2
795 1 87 ARG HA 1 87 ARG HD2 . . 4.740 3.817 2.041 4.784 0.044 13 0 "[ . 1 . 2]" 2
796 1 87 ARG HA 1 87 ARG HD3 . . 4.740 3.908 2.025 4.703 . 0 0 "[ . 1 . 2]" 2
797 1 59 ASP HA 1 62 ARG QD . . 5.090 3.959 2.947 5.084 . 0 0 "[ . 1 . 2]" 2
798 1 87 ARG HA 1 90 ALA MB . . 3.360 2.963 2.284 3.349 . 0 0 "[ . 1 . 2]" 2
799 1 88 THR HA 1 88 THR MG . . 3.530 2.544 2.132 3.205 . 0 0 "[ . 1 . 2]" 2
800 1 88 THR HA 1 91 VAL HB . . 4.250 3.355 2.760 4.140 . 0 0 "[ . 1 . 2]" 2
801 1 88 THR MG 1 89 LEU H . . 4.780 3.148 1.881 4.026 . 0 0 "[ . 1 . 2]" 2
802 1 89 LEU HA 1 89 LEU HG . . 4.230 3.173 2.927 3.373 . 0 0 "[ . 1 . 2]" 2
803 1 61 LEU HA 1 64 HIS H . . 4.440 3.580 3.239 3.920 . 0 0 "[ . 1 . 2]" 2
804 1 89 LEU HA 1 92 HIS H . . 4.840 3.543 3.189 3.909 . 0 0 "[ . 1 . 2]" 2
805 1 89 LEU MD1 1 93 LYS HE2 . . 4.950 3.871 2.356 4.934 . 0 0 "[ . 1 . 2]" 2
806 1 89 LEU MD1 1 93 LYS HE3 . . 4.950 3.724 2.179 4.925 . 0 0 "[ . 1 . 2]" 2
807 1 89 LEU MD1 1 92 HIS HD2 . . 3.580 2.799 2.208 3.333 . 0 0 "[ . 1 . 2]" 2
808 1 90 ALA HA 1 93 LYS QB . . 3.940 3.243 2.358 3.968 0.028 18 0 "[ . 1 . 2]" 2
809 1 90 ALA MB 1 91 VAL HA . . 4.570 3.734 3.571 3.862 . 0 0 "[ . 1 . 2]" 2
810 1 91 VAL HA 1 91 VAL MG1 . . 3.430 2.562 2.299 3.200 . 0 0 "[ . 1 . 2]" 2
811 1 91 VAL HA 1 91 VAL MG2 . . 3.430 2.380 2.272 2.548 . 0 0 "[ . 1 . 2]" 2
812 1 91 VAL HA 1 94 THR MG . . 3.730 2.827 2.027 3.484 . 0 0 "[ . 1 . 2]" 2
813 1 91 VAL HB 1 92 HIS H . . 4.130 2.955 2.283 4.064 . 0 0 "[ . 1 . 2]" 2
814 1 91 VAL MG1 1 92 HIS HA . . 5.500 3.553 3.146 3.891 . 0 0 "[ . 1 . 2]" 2
815 1 92 HIS HA 1 95 LEU H . . 4.780 3.400 3.005 3.757 . 0 0 "[ . 1 . 2]" 2
816 1 92 HIS HA 1 95 LEU HG . . 4.400 3.588 2.476 4.421 0.021 11 0 "[ . 1 . 2]" 2
817 1 92 HIS HD2 1 93 LYS HA . . 4.150 3.370 2.535 4.150 . 0 0 "[ . 1 . 2]" 2
818 1 92 HIS HD2 1 96 HIS HD2 . . 4.200 3.438 2.614 3.953 . 0 0 "[ . 1 . 2]" 2
819 1 93 LYS HA 1 93 LYS HG2 . . 4.030 2.659 2.169 3.635 . 0 0 "[ . 1 . 2]" 2
820 1 93 LYS HA 1 93 LYS HG3 . . 4.030 3.248 2.377 3.748 . 0 0 "[ . 1 . 2]" 2
821 1 93 LYS HA 1 93 LYS HD2 . . 4.420 3.516 2.390 4.428 0.008 14 0 "[ . 1 . 2]" 2
822 1 93 LYS HA 1 93 LYS HD3 . . 4.420 3.566 2.123 4.456 0.036 12 0 "[ . 1 . 2]" 2
823 1 93 LYS HA 1 96 HIS HD2 . . 3.700 2.794 2.129 3.636 . 0 0 "[ . 1 . 2]" 2
824 1 93 LYS QB 1 93 LYS HD3 . . 3.400 2.915 2.217 3.404 0.004 3 0 "[ . 1 . 2]" 2
825 1 93 LYS QB 1 93 LYS HD2 . . 3.400 2.400 2.078 3.341 . 0 0 "[ . 1 . 2]" 2
826 1 93 LYS QB 1 93 LYS HE3 . . 4.580 3.465 2.134 4.128 . 0 0 "[ . 1 . 2]" 2
827 1 93 LYS QB 1 93 LYS HE2 . . 4.580 3.780 2.294 4.413 . 0 0 "[ . 1 . 2]" 2
828 1 94 THR HA 1 94 THR MG . . 3.310 2.349 2.209 2.497 . 0 0 "[ . 1 . 2]" 2
829 1 94 THR HB 1 95 LEU HA . . 4.710 4.434 4.196 4.693 . 0 0 "[ . 1 . 2]" 2
830 1 95 LEU HA 1 95 LEU HG . . 4.070 2.997 2.269 3.758 . 0 0 "[ . 1 . 2]" 2
831 1 101 SER HA 1 102 PRO HD2 . . 3.820 2.287 1.912 3.795 . 0 0 "[ . 1 . 2]" 2
832 1 101 SER HA 1 102 PRO HD3 . . 3.820 2.528 2.251 4.025 0.205 14 0 "[ . 1 . 2]" 2
833 1 19 ILE MG 1 21 LYS HA . . 5.130 4.459 4.256 4.618 . 0 0 "[ . 1 . 2]" 2
834 1 19 ILE MG 1 25 ARG HA . . 5.300 3.428 3.119 4.004 . 0 0 "[ . 1 . 2]" 2
835 1 19 ILE MG 1 26 HIS HA . . 4.620 3.021 2.680 3.491 . 0 0 "[ . 1 . 2]" 2
836 1 19 ILE MG 1 26 HIS HD2 . . 4.310 3.497 2.081 4.274 . 0 0 "[ . 1 . 2]" 2
837 1 64 HIS HE1 1 67 ILE MG . . 4.180 3.906 3.346 4.181 0.001 2 0 "[ . 1 . 2]" 2
838 1 19 ILE MD 1 26 HIS HD2 . . 5.070 4.381 3.108 4.968 . 0 0 "[ . 1 . 2]" 2
839 1 32 ASN HA 1 35 ILE MD . . 3.840 2.538 2.112 2.966 . 0 0 "[ . 1 . 2]" 2
840 1 35 ILE MD 1 38 ARG QD . . 4.970 4.672 4.023 4.980 0.010 20 0 "[ . 1 . 2]" 2
841 1 31 TYR QD 1 35 ILE MD . . 3.920 2.089 1.902 2.427 . 0 0 "[ . 1 . 2]" 2
842 1 36 HIS HD2 1 37 GLU HG3 . . 4.570 3.877 3.167 4.537 . 0 0 "[ . 1 . 2]" 2
843 1 36 HIS HD2 1 37 GLU HG2 . . 4.570 3.420 2.675 4.266 . 0 0 "[ . 1 . 2]" 2
844 1 33 LEU MD1 1 37 GLU HG3 . . 4.000 2.948 2.374 3.655 . 0 0 "[ . 1 . 2]" 2
845 1 33 LEU MD1 1 37 GLU HG2 . . 4.000 3.226 2.138 3.964 . 0 0 "[ . 1 . 2]" 2
846 1 94 THR HA 1 97 MET ME . . 5.500 3.569 2.018 5.141 . 0 0 "[ . 1 . 2]" 2
847 1 88 THR HA 1 91 VAL MG1 . . 4.760 4.014 1.918 4.742 . 0 0 "[ . 1 . 2]" 2
848 1 88 THR HA 1 91 VAL MG2 . . 4.760 3.409 2.672 4.684 . 0 0 "[ . 1 . 2]" 2
849 1 46 TYR QE 1 58 GLN QG . . 3.950 2.693 1.934 3.715 . 0 0 "[ . 1 . 2]" 2
850 1 31 TYR QE 1 35 ILE MG . . 4.180 4.109 3.901 4.193 0.013 19 0 "[ . 1 . 2]" 2
851 1 67 ILE HA 1 67 ILE MD . . 4.210 4.122 4.070 4.172 . 0 0 "[ . 1 . 2]" 2
852 1 46 TYR QD 1 58 GLN QG . . 4.380 3.366 2.502 4.309 . 0 0 "[ . 1 . 2]" 2
853 1 91 VAL MG2 1 92 HIS HA . . 5.500 5.089 3.654 5.454 . 0 0 "[ . 1 . 2]" 2
854 1 32 ASN HA 1 35 ILE MG . . 4.320 4.101 3.958 4.236 . 0 0 "[ . 1 . 2]" 2
855 1 46 TYR QD 1 61 LEU MD2 . . 3.700 2.700 2.067 3.672 . 0 0 "[ . 1 . 2]" 2
856 1 55 PHE QD 1 61 LEU MD2 . . 4.320 3.316 2.636 3.800 . 0 0 "[ . 1 . 2]" 2
857 1 46 TYR H 1 61 LEU MD2 . . 4.890 4.749 4.352 4.930 0.040 15 0 "[ . 1 . 2]" 2
858 1 45 PRO HG2 1 46 TYR QD . . 4.580 2.664 2.013 3.137 . 0 0 "[ . 1 . 2]" 2
859 1 45 PRO HG3 1 46 TYR QD . . 4.580 4.127 3.566 4.535 . 0 0 "[ . 1 . 2]" 2
860 1 95 LEU H 1 95 LEU MD1 . . 4.580 3.520 1.869 4.241 . 0 0 "[ . 1 . 2]" 2
861 1 31 TYR QD 1 34 LEU MD1 . . 4.580 4.159 3.882 4.518 . 0 0 "[ . 1 . 2]" 2
862 1 34 LEU H 1 34 LEU MD1 . . 4.340 4.094 4.000 4.179 . 0 0 "[ . 1 . 2]" 2
863 1 83 PHE QD 1 88 THR MG . . 3.880 2.852 2.121 3.848 . 0 0 "[ . 1 . 2]" 2
864 1 83 PHE QD 1 89 LEU MD1 . . 3.730 2.569 1.933 3.725 . 0 0 "[ . 1 . 2]" 2
865 1 47 THR HA 1 55 PHE QD . . 4.300 3.688 2.838 4.125 . 0 0 "[ . 1 . 2]" 2
866 1 44 ARG QD 1 54 ALA MB . . 4.050 3.019 1.956 3.894 . 0 0 "[ . 1 . 2]" 2
867 1 53 LYS HA 1 54 ALA MB . . 3.980 3.884 3.834 3.957 . 0 0 "[ . 1 . 2]" 2
868 1 18 PHE QD 1 33 LEU MD2 . . 3.750 3.082 1.964 3.435 . 0 0 "[ . 1 . 2]" 2
869 1 74 PHE QD 1 89 LEU MD2 . . 4.220 3.180 1.871 4.129 . 0 0 "[ . 1 . 2]" 2
870 1 18 PHE QE 1 33 LEU MD2 . . 4.980 4.617 3.393 4.942 . 0 0 "[ . 1 . 2]" 2
871 1 38 ARG H 1 41 THR MG . . 4.780 4.548 4.018 4.778 . 0 0 "[ . 1 . 2]" 2
872 1 83 PHE QE 1 89 LEU MD1 . . 4.000 2.896 1.957 3.559 . 0 0 "[ . 1 . 2]" 2
873 1 10 LEU HA 1 10 LEU QD . . 4.010 2.648 2.031 3.411 . 0 0 "[ . 1 . 2]" 2
874 1 10 LEU HA 1 11 PRO QD . . 3.080 1.984 1.851 2.304 . 0 0 "[ . 1 . 2]" 2
875 1 10 LEU QB 1 11 PRO QD . . 3.590 2.670 2.013 3.771 0.181 6 0 "[ . 1 . 2]" 2
876 1 10 LEU QD 1 11 PRO QD . . 4.400 2.840 1.971 4.004 . 0 0 "[ . 1 . 2]" 2
877 1 17 GLU H 1 17 GLU QB . . 3.370 2.767 2.190 3.260 . 0 0 "[ . 1 . 2]" 2
878 1 17 GLU H 1 17 GLU QG . . 3.850 2.856 2.042 3.868 0.018 3 0 "[ . 1 . 2]" 2
879 1 17 GLU HA 1 17 GLU QG . . 3.600 2.936 2.301 3.408 . 0 0 "[ . 1 . 2]" 2
880 1 17 GLU QB 1 18 PHE H . . 3.450 2.342 2.068 3.117 . 0 0 "[ . 1 . 2]" 2
881 1 17 GLU QG 1 18 PHE H . . 4.190 3.537 1.882 4.184 . 0 0 "[ . 1 . 2]" 2
882 1 18 PHE QB 1 19 ILE H . . 3.610 2.528 2.034 3.039 . 0 0 "[ . 1 . 2]" 2
883 1 18 PHE QB 1 19 ILE HG13 . . 5.340 4.523 4.271 4.701 . 0 0 "[ . 1 . 2]" 2
884 1 18 PHE QB 1 33 LEU QB . . 4.020 3.318 3.012 4.030 0.010 15 0 "[ . 1 . 2]" 2
885 1 19 ILE MG 1 24 GLY QA . . 3.190 2.285 2.108 2.495 . 0 0 "[ . 1 . 2]" 2
886 1 20 CYS HB3 1 25 ARG QB . . 4.720 3.336 3.051 3.526 . 0 0 "[ . 1 . 2]" 2
887 1 21 LYS H 1 21 LYS QG . . 3.300 2.144 1.929 2.725 . 0 0 "[ . 1 . 2]" 2
888 1 21 LYS QG 1 22 PHE QE . . 4.670 3.147 2.674 3.495 . 0 0 "[ . 1 . 2]" 2
889 1 22 PHE H 1 22 PHE QB . . 3.140 2.471 2.384 2.571 . 0 0 "[ . 1 . 2]" 2
890 1 22 PHE QB 1 23 CYS H . . 3.260 2.331 2.244 2.488 . 0 0 "[ . 1 . 2]" 2
891 1 23 CYS H 1 23 CYS QB . . 3.680 2.818 2.757 2.919 . 0 0 "[ . 1 . 2]" 2
892 1 23 CYS H 1 24 GLY QA . . 4.110 3.974 3.774 4.030 . 0 0 "[ . 1 . 2]" 2
893 1 23 CYS QB 1 40 HIS HE1 . . 3.420 2.290 1.994 2.468 . 0 0 "[ . 1 . 2]" 2
894 1 25 ARG H 1 25 ARG QB . . 2.960 2.373 2.135 2.684 . 0 0 "[ . 1 . 2]" 2
895 1 25 ARG H 1 25 ARG QG . . 4.030 3.939 3.005 4.085 0.055 11 0 "[ . 1 . 2]" 2
896 1 25 ARG HA 1 25 ARG QD . . 4.360 3.779 2.046 4.335 . 0 0 "[ . 1 . 2]" 2
897 1 25 ARG QB 1 25 ARG QD . . 3.140 2.253 2.089 2.714 . 0 0 "[ . 1 . 2]" 2
898 1 25 ARG QB 1 26 HIS H . . 3.590 3.390 2.261 3.616 0.026 11 0 "[ . 1 . 2]" 2
899 1 25 ARG QB 1 27 PHE QE . . 3.840 2.208 1.995 2.564 . 0 0 "[ . 1 . 2]" 2
900 1 25 ARG QB 1 27 PHE HZ . . 4.750 2.801 2.282 3.381 . 0 0 "[ . 1 . 2]" 2
901 1 25 ARG QD 1 27 PHE QE . . 4.590 3.470 2.720 4.538 . 0 0 "[ . 1 . 2]" 2
902 1 25 ARG QD 1 27 PHE HZ . . 4.520 3.154 2.031 4.525 0.005 15 0 "[ . 1 . 2]" 2
903 1 26 HIS H 1 26 HIS QB . . 3.230 2.570 2.411 2.643 . 0 0 "[ . 1 . 2]" 2
904 1 26 HIS QB 1 27 PHE H . . 3.280 2.784 2.443 2.918 . 0 0 "[ . 1 . 2]" 2
905 1 27 PHE H 1 27 PHE QB . . 3.450 2.707 2.569 2.941 . 0 0 "[ . 1 . 2]" 2
906 1 27 PHE QB 1 29 LYS H . . 3.520 2.983 2.394 3.332 . 0 0 "[ . 1 . 2]" 2
907 1 27 PHE QB 1 33 LEU HA . . 3.770 3.441 3.121 3.662 . 0 0 "[ . 1 . 2]" 2
908 1 27 PHE QB 1 33 LEU MD1 . . 4.270 3.239 2.684 3.459 . 0 0 "[ . 1 . 2]" 2
909 1 27 PHE QB 1 33 LEU MD2 . . 4.830 3.773 3.242 4.170 . 0 0 "[ . 1 . 2]" 2
910 1 27 PHE QD 1 33 LEU QB . . 4.090 3.303 2.884 3.599 . 0 0 "[ . 1 . 2]" 2
911 1 30 SER HA 1 33 LEU QB . . 3.760 3.042 2.629 3.416 . 0 0 "[ . 1 . 2]" 2
912 1 31 TYR QB 1 32 ASN H . . 3.450 2.532 2.216 3.339 . 0 0 "[ . 1 . 2]" 2
913 1 31 TYR QD 1 35 ILE QG . . 3.960 2.169 1.981 2.482 . 0 0 "[ . 1 . 2]" 2
914 1 32 ASN H 1 32 ASN QD . . 4.980 4.159 2.021 4.579 . 0 0 "[ . 1 . 2]" 2
915 1 32 ASN HA 1 35 ILE QG . . 4.070 2.953 2.409 3.392 . 0 0 "[ . 1 . 2]" 2
916 1 33 LEU QB 1 33 LEU MD1 . . 3.170 2.236 2.079 2.408 . 0 0 "[ . 1 . 2]" 2
917 1 33 LEU QB 1 34 LEU H . . 3.370 2.430 2.194 2.667 . 0 0 "[ . 1 . 2]" 2
918 1 33 LEU HG 1 37 GLU QG . . 4.540 2.675 2.047 3.606 . 0 0 "[ . 1 . 2]" 2
919 1 34 LEU H 1 37 GLU QG . . 5.340 4.352 3.706 5.003 . 0 0 "[ . 1 . 2]" 2
920 1 34 LEU HA 1 37 GLU QB . . 3.700 2.545 2.153 2.885 . 0 0 "[ . 1 . 2]" 2
921 1 34 LEU HG 1 35 ILE QG . . 3.870 2.316 2.058 2.487 . 0 0 "[ . 1 . 2]" 2
922 1 35 ILE HA 1 38 ARG QG . . 4.070 2.901 2.053 3.836 . 0 0 "[ . 1 . 2]" 2
923 1 35 ILE QG 1 35 ILE MG . . 3.020 2.366 2.280 2.455 . 0 0 "[ . 1 . 2]" 2
924 1 35 ILE QG 1 36 HIS H . . 4.290 4.048 3.916 4.170 . 0 0 "[ . 1 . 2]" 2
925 1 36 HIS HD2 1 37 GLU QG . . 3.990 3.134 2.593 3.648 . 0 0 "[ . 1 . 2]" 2
926 1 37 GLU H 1 37 GLU QB . . 3.220 2.419 2.285 2.576 . 0 0 "[ . 1 . 2]" 2
927 1 37 GLU H 1 37 GLU QG . . 3.190 2.363 2.070 2.600 . 0 0 "[ . 1 . 2]" 2
928 1 37 GLU H 1 38 ARG QG . . 4.570 4.160 3.733 4.463 . 0 0 "[ . 1 . 2]" 2
929 1 37 GLU HA 1 37 GLU QG . . 3.470 2.331 2.235 2.488 . 0 0 "[ . 1 . 2]" 2
930 1 37 GLU QB 1 38 ARG H . . 3.470 2.881 2.575 3.032 . 0 0 "[ . 1 . 2]" 2
931 1 38 ARG H 1 38 ARG QB . . 3.190 2.462 2.362 2.593 . 0 0 "[ . 1 . 2]" 2
932 1 38 ARG H 1 38 ARG QG . . 2.860 2.163 1.908 2.343 . 0 0 "[ . 1 . 2]" 2
933 1 38 ARG HA 1 38 ARG QG . . 3.460 2.725 2.397 3.344 . 0 0 "[ . 1 . 2]" 2
934 1 38 ARG QB 1 39 THR H . . 3.650 2.841 2.283 3.656 0.006 11 0 "[ . 1 . 2]" 2
935 1 40 HIS H 1 40 HIS QB . . 3.110 2.297 2.192 2.447 . 0 0 "[ . 1 . 2]" 2
936 1 40 HIS QB 1 41 THR H . . 4.270 2.708 1.967 3.911 . 0 0 "[ . 1 . 2]" 2
937 1 42 ASP H 1 42 ASP QB . . 3.640 2.514 2.197 2.906 . 0 0 "[ . 1 . 2]" 2
938 1 42 ASP QB 1 43 GLU H . . 3.850 3.452 1.955 3.886 0.036 3 0 "[ . 1 . 2]" 2
939 1 43 GLU HA 1 43 GLU QG . . 3.620 2.914 2.143 3.431 . 0 0 "[ . 1 . 2]" 2
940 1 44 ARG H 1 44 ARG QG . . 4.190 2.846 1.889 4.109 . 0 0 "[ . 1 . 2]" 2
941 1 44 ARG H 1 45 PRO QD . . 4.670 3.751 2.279 4.315 . 0 0 "[ . 1 . 2]" 2
942 1 44 ARG HA 1 45 PRO QG . . 4.650 3.824 3.767 4.179 . 0 0 "[ . 1 . 2]" 2
943 1 44 ARG QB 1 44 ARG QD . . 3.290 2.228 2.011 2.598 . 0 0 "[ . 1 . 2]" 2
944 1 44 ARG QB 1 54 ALA MB . . 3.410 2.712 2.167 3.319 . 0 0 "[ . 1 . 2]" 2
945 1 45 PRO QG 1 46 TYR H . . 3.770 2.345 1.878 2.987 . 0 0 "[ . 1 . 2]" 2
946 1 45 PRO QG 1 46 TYR QD . . 4.010 2.631 2.002 3.082 . 0 0 "[ . 1 . 2]" 2
947 1 45 PRO QG 1 46 TYR QE . . 4.170 2.796 2.290 3.464 . 0 0 "[ . 1 . 2]" 2
948 1 45 PRO QD 1 46 TYR H . . 3.670 2.710 2.635 2.777 . 0 0 "[ . 1 . 2]" 2
949 1 46 TYR QB 1 47 THR H . . 3.870 3.689 3.388 3.905 0.035 2 0 "[ . 1 . 2]" 2
950 1 46 TYR QB 1 55 PHE H . . 3.830 2.333 1.859 3.080 . 0 0 "[ . 1 . 2]" 2
951 1 46 TYR QB 1 61 LEU QB . . 4.170 3.071 2.712 3.481 . 0 0 "[ . 1 . 2]" 2
952 1 46 TYR QB 1 61 LEU MD2 . . 3.510 2.209 1.947 2.553 . 0 0 "[ . 1 . 2]" 2
953 1 46 TYR QE 1 58 GLN QB . . 4.220 3.073 1.989 4.208 . 0 0 "[ . 1 . 2]" 2
954 1 47 THR MG 1 52 HIS QB . . 4.240 2.799 2.144 3.866 . 0 0 "[ . 1 . 2]" 2
955 1 48 CYS H 1 53 LYS QB . . 4.220 3.862 3.533 4.171 . 0 0 "[ . 1 . 2]" 2
956 1 48 CYS HB2 1 53 LYS QB . . 4.780 2.928 2.513 3.572 . 0 0 "[ . 1 . 2]" 2
957 1 48 CYS HB3 1 53 LYS QB . . 4.560 3.929 3.595 4.405 . 0 0 "[ . 1 . 2]" 2
958 1 50 ILE MD 1 68 HIS QB . . 3.600 2.159 1.873 2.720 . 0 0 "[ . 1 . 2]" 2
959 1 51 CYS H 1 51 CYS QB . . 3.660 2.428 2.255 2.889 . 0 0 "[ . 1 . 2]" 2
960 1 51 CYS QB 1 53 LYS H . . 4.680 3.892 3.551 4.148 . 0 0 "[ . 1 . 2]" 2
961 1 51 CYS QB 1 68 HIS HE1 . . 3.720 2.169 1.991 2.577 . 0 0 "[ . 1 . 2]" 2
962 1 52 HIS H 1 52 HIS QB . . 3.640 2.986 2.730 3.167 . 0 0 "[ . 1 . 2]" 2
963 1 52 HIS QB 1 53 LYS H . . 4.380 3.931 3.866 4.051 . 0 0 "[ . 1 . 2]" 2
964 1 53 LYS H 1 53 LYS QB . . 3.210 2.207 2.158 2.353 . 0 0 "[ . 1 . 2]" 2
965 1 53 LYS QB 1 53 LYS QD . . 3.120 2.145 2.089 2.248 . 0 0 "[ . 1 . 2]" 2
966 1 53 LYS QB 1 54 ALA H . . 3.540 2.396 1.954 3.128 . 0 0 "[ . 1 . 2]" 2
967 1 53 LYS QB 1 55 PHE QD . . 5.220 3.877 3.730 4.009 . 0 0 "[ . 1 . 2]" 2
968 1 53 LYS QB 1 55 PHE HZ . . 3.970 2.455 1.972 2.927 . 0 0 "[ . 1 . 2]" 2
969 1 53 LYS QB 1 64 HIS HE1 . . 4.680 3.853 3.441 4.175 . 0 0 "[ . 1 . 2]" 2
970 1 53 LYS QD 1 55 PHE QE . . 4.150 3.663 3.228 4.032 . 0 0 "[ . 1 . 2]" 2
971 1 53 LYS QD 1 55 PHE HZ . . 3.860 2.991 2.648 3.548 . 0 0 "[ . 1 . 2]" 2
972 1 55 PHE QB 1 57 ARG H . . 3.670 3.195 2.634 3.687 0.017 13 0 "[ . 1 . 2]" 2
973 1 55 PHE QB 1 61 LEU H . . 4.060 3.619 3.072 4.066 0.006 9 0 "[ . 1 . 2]" 2
974 1 55 PHE QB 1 61 LEU HA . . 4.590 3.736 3.254 4.293 . 0 0 "[ . 1 . 2]" 2
975 1 55 PHE QB 1 61 LEU QB . . 5.020 2.376 1.955 2.921 . 0 0 "[ . 1 . 2]" 2
976 1 55 PHE QB 1 61 LEU MD2 . . 4.540 3.414 3.014 4.013 . 0 0 "[ . 1 . 2]" 2
977 1 55 PHE QD 1 60 HIS QB . . 4.200 3.085 2.551 3.654 . 0 0 "[ . 1 . 2]" 2
978 1 55 PHE QD 1 61 LEU QB . . 5.340 2.980 1.995 3.593 . 0 0 "[ . 1 . 2]" 2
979 1 55 PHE QE 1 64 HIS QB . . 3.900 2.881 2.505 3.438 . 0 0 "[ . 1 . 2]" 2
980 1 55 PHE HZ 1 64 HIS QB . . 4.600 3.816 3.426 4.236 . 0 0 "[ . 1 . 2]" 2
981 1 56 ARG QB 1 56 ARG QD . . 3.420 2.212 2.020 2.383 . 0 0 "[ . 1 . 2]" 2
982 1 56 ARG QG 1 57 ARG QG . . 4.370 3.007 2.019 4.350 . 0 0 "[ . 1 . 2]" 2
983 1 57 ARG H 1 60 HIS QB . . 3.880 3.298 2.965 3.833 . 0 0 "[ . 1 . 2]" 2
984 1 57 ARG QB 1 57 ARG QD . . 3.300 2.216 1.999 2.598 . 0 0 "[ . 1 . 2]" 2
985 1 57 ARG QB 1 60 HIS H . . 3.420 2.720 2.442 2.945 . 0 0 "[ . 1 . 2]" 2
986 1 57 ARG QB 1 60 HIS QB . . 5.180 2.688 1.966 3.504 . 0 0 "[ . 1 . 2]" 2
987 1 57 ARG QG 1 60 HIS H . . 5.280 4.739 4.321 5.088 . 0 0 "[ . 1 . 2]" 2
988 1 57 ARG QG 1 60 HIS HE1 . . 4.770 3.531 2.197 4.688 . 0 0 "[ . 1 . 2]" 2
989 1 57 ARG QD 1 60 HIS HE1 . . 4.390 3.414 2.099 4.399 0.009 13 0 "[ . 1 . 2]" 2
990 1 58 GLN HA 1 61 LEU QB . . 4.180 2.599 2.240 3.000 . 0 0 "[ . 1 . 2]" 2
991 1 59 ASP HA 1 62 ARG QB . . 3.560 2.639 2.249 3.076 . 0 0 "[ . 1 . 2]" 2
992 1 60 HIS QB 1 61 LEU H . . 3.900 2.604 2.359 2.910 . 0 0 "[ . 1 . 2]" 2
993 1 61 LEU H 1 61 LEU QB . . 3.290 2.166 2.103 2.214 . 0 0 "[ . 1 . 2]" 2
994 1 61 LEU HA 1 64 HIS QB . . 4.300 2.248 1.974 2.813 . 0 0 "[ . 1 . 2]" 2
995 1 61 LEU QB 1 61 LEU MD1 . . 3.220 2.288 2.158 2.377 . 0 0 "[ . 1 . 2]" 2
996 1 61 LEU QB 1 62 ARG H . . 4.030 2.715 2.399 3.084 . 0 0 "[ . 1 . 2]" 2
997 1 62 ARG H 1 62 ARG QB . . 3.020 2.233 2.122 2.392 . 0 0 "[ . 1 . 2]" 2
998 1 62 ARG HA 1 62 ARG QG . . 3.670 2.396 2.167 3.439 . 0 0 "[ . 1 . 2]" 2
999 1 62 ARG QB 1 63 ASP H . . 3.420 2.305 2.049 3.396 . 0 0 "[ . 1 . 2]" 2
1000 1 62 ARG QG 1 63 ASP H . . 4.050 3.742 1.877 4.111 0.061 4 0 "[ . 1 . 2]" 2
1001 1 63 ASP H 1 63 ASP QB . . 3.180 2.276 2.134 2.572 . 0 0 "[ . 1 . 2]" 2
1002 1 63 ASP QB 1 64 HIS H . . 3.780 3.003 2.494 3.727 . 0 0 "[ . 1 . 2]" 2
1003 1 64 HIS H 1 64 HIS QB . . 2.970 2.160 2.128 2.228 . 0 0 "[ . 1 . 2]" 2
1004 1 64 HIS QB 1 65 ARG H . . 3.480 2.754 2.488 2.968 . 0 0 "[ . 1 . 2]" 2
1005 1 65 ARG H 1 65 ARG QD . . 4.810 4.169 3.414 4.528 . 0 0 "[ . 1 . 2]" 2
1006 1 65 ARG HA 1 65 ARG QD . . 4.120 3.502 2.255 4.209 0.089 2 0 "[ . 1 . 2]" 2
1007 1 65 ARG QB 1 65 ARG QD . . 3.400 2.167 2.046 2.439 . 0 0 "[ . 1 . 2]" 2
1008 1 66 TYR H 1 67 ILE QG . . 5.340 4.208 4.109 4.446 . 0 0 "[ . 1 . 2]" 2
1009 1 67 ILE H 1 67 ILE QG . . 3.470 2.464 2.227 2.620 . 0 0 "[ . 1 . 2]" 2
1010 1 67 ILE HA 1 67 ILE QG . . 3.570 3.296 3.268 3.306 . 0 0 "[ . 1 . 2]" 2
1011 1 67 ILE QG 1 67 ILE MG . . 3.210 2.171 2.039 2.308 . 0 0 "[ . 1 . 2]" 2
1012 1 67 ILE QG 1 68 HIS H . . 3.920 2.222 1.840 2.397 . 0 0 "[ . 1 . 2]" 2
1013 1 67 ILE QG 1 68 HIS HD2 . . 4.680 3.525 2.934 3.889 . 0 0 "[ . 1 . 2]" 2
1014 1 68 HIS H 1 68 HIS QB . . 3.280 2.477 2.380 2.574 . 0 0 "[ . 1 . 2]" 2
1015 1 71 GLU H 1 71 GLU QB . . 3.480 2.479 2.133 3.311 . 0 0 "[ . 1 . 2]" 2
1016 1 71 GLU H 1 71 GLU QG . . 4.460 3.476 1.907 4.216 . 0 0 "[ . 1 . 2]" 2
1017 1 71 GLU HA 1 71 GLU QG . . 3.720 2.578 2.123 3.475 . 0 0 "[ . 1 . 2]" 2
1018 1 72 LYS QB 1 73 PRO QD . . 4.310 2.752 2.015 3.565 . 0 0 "[ . 1 . 2]" 2
1019 1 72 LYS QB 1 74 PHE H . . 4.530 2.909 2.317 3.765 . 0 0 "[ . 1 . 2]" 2
1020 1 73 PRO QB 1 74 PHE H . . 3.840 3.315 2.807 3.559 . 0 0 "[ . 1 . 2]" 2
1021 1 73 PRO QG 1 74 PHE H . . 3.800 2.563 1.896 2.937 . 0 0 "[ . 1 . 2]" 2
1022 1 73 PRO QD 1 74 PHE H . . 3.740 2.687 2.602 2.752 . 0 0 "[ . 1 . 2]" 2
1023 1 74 PHE H 1 74 PHE QB . . 3.380 2.678 2.137 3.391 0.011 4 0 "[ . 1 . 2]" 2
1024 1 74 PHE H 1 75 LYS QB . . 5.340 4.431 3.915 5.290 . 0 0 "[ . 1 . 2]" 2
1025 1 74 PHE QB 1 75 LYS H . . 3.990 3.536 2.294 3.942 . 0 0 "[ . 1 . 2]" 2
1026 1 75 LYS H 1 75 LYS QG . . 4.300 3.564 2.188 4.201 . 0 0 "[ . 1 . 2]" 2
1027 1 75 LYS QB 1 76 CYS H . . 4.070 3.418 2.775 3.915 . 0 0 "[ . 1 . 2]" 2
1028 1 76 CYS HB2 1 81 LYS QB . . 5.340 4.381 2.836 5.340 0.000 10 0 "[ . 1 . 2]" 2
1029 1 78 GLU H 1 78 GLU QG . . 3.580 2.653 2.300 3.465 . 0 0 "[ . 1 . 2]" 2
1030 1 79 CYS H 1 79 CYS QB . . 3.410 2.702 2.592 3.021 . 0 0 "[ . 1 . 2]" 2
1031 1 79 CYS H 1 80 GLY QA . . 4.390 4.096 3.787 4.252 . 0 0 "[ . 1 . 2]" 2
1032 1 79 CYS QB 1 81 LYS H . . 4.560 4.288 3.726 4.552 . 0 0 "[ . 1 . 2]" 2
1033 1 79 CYS QB 1 96 HIS HE1 . . 3.540 2.486 2.057 2.703 . 0 0 "[ . 1 . 2]" 2
1034 1 81 LYS H 1 81 LYS QG . . 3.380 2.864 2.075 3.372 . 0 0 "[ . 1 . 2]" 2
1035 1 81 LYS HA 1 81 LYS QG . . 3.740 2.583 2.121 3.433 . 0 0 "[ . 1 . 2]" 2
1036 1 81 LYS QB 1 83 PHE QE . . 4.300 2.798 1.975 4.193 . 0 0 "[ . 1 . 2]" 2
1037 1 81 LYS QB 1 83 PHE HZ . . 5.320 3.484 2.527 5.212 . 0 0 "[ . 1 . 2]" 2
1038 1 81 LYS QE 1 81 LYS QG . . 3.150 2.188 2.027 2.492 . 0 0 "[ . 1 . 2]" 2
1039 1 81 LYS QG 1 82 GLY H . . 4.180 3.570 2.791 3.972 . 0 0 "[ . 1 . 2]" 2
1040 1 81 LYS QD 1 82 GLY H . . 4.960 2.994 2.412 3.909 . 0 0 "[ . 1 . 2]" 2
1041 1 81 LYS QD 1 82 GLY QA . . 4.990 4.506 3.182 5.001 0.011 19 0 "[ . 1 . 2]" 2
1042 1 81 LYS QD 1 83 PHE H . . 4.790 4.622 3.446 4.822 0.032 16 0 "[ . 1 . 2]" 2
1043 1 81 LYS QD 1 83 PHE QE . . 5.340 3.745 2.644 5.249 . 0 0 "[ . 1 . 2]" 2
1044 1 83 PHE H 1 83 PHE QB . . 3.640 2.509 2.188 3.054 . 0 0 "[ . 1 . 2]" 2
1045 1 83 PHE QB 1 85 GLN H . . 3.810 3.089 2.402 3.738 . 0 0 "[ . 1 . 2]" 2
1046 1 84 CYS QB 1 85 GLN H . . 3.970 3.261 2.227 4.028 0.058 18 0 "[ . 1 . 2]" 2
1047 1 85 GLN QB 1 88 THR H . . 3.550 2.747 2.176 3.181 . 0 0 "[ . 1 . 2]" 2
1048 1 86 SER HA 1 89 LEU QB . . 4.350 2.923 2.351 4.091 . 0 0 "[ . 1 . 2]" 2
1049 1 87 ARG QB 1 87 ARG QD . . 3.260 2.225 2.043 2.702 . 0 0 "[ . 1 . 2]" 2
1050 1 88 THR HA 1 91 VAL QG . . 3.700 2.854 1.916 3.535 . 0 0 "[ . 1 . 2]" 2
1051 1 89 LEU H 1 89 LEU QB . . 3.270 2.230 2.175 2.269 . 0 0 "[ . 1 . 2]" 2
1052 1 89 LEU HA 1 92 HIS QB . . 4.800 2.490 2.136 2.896 . 0 0 "[ . 1 . 2]" 2
1053 1 89 LEU QB 1 90 ALA H . . 3.400 2.602 2.261 2.866 . 0 0 "[ . 1 . 2]" 2
1054 1 89 LEU MD1 1 93 LYS QE . . 4.140 3.193 2.159 4.121 . 0 0 "[ . 1 . 2]" 2
1055 1 90 ALA H 1 91 VAL QG . . 5.120 4.074 3.493 4.401 . 0 0 "[ . 1 . 2]" 2
1056 1 91 VAL H 1 91 VAL QG . . 2.970 2.125 1.875 2.382 . 0 0 "[ . 1 . 2]" 2
1057 1 91 VAL H 1 92 HIS QB . . 5.340 4.336 4.015 4.636 . 0 0 "[ . 1 . 2]" 2
1058 1 91 VAL HA 1 91 VAL QG . . 2.940 2.161 2.093 2.328 . 0 0 "[ . 1 . 2]" 2
1059 1 91 VAL QG 1 92 HIS HA . . 4.350 3.473 3.035 3.801 . 0 0 "[ . 1 . 2]" 2
1060 1 92 HIS H 1 92 HIS QB . . 2.930 2.215 2.147 2.268 . 0 0 "[ . 1 . 2]" 2
1061 1 92 HIS HA 1 95 LEU QB . . 4.600 3.186 2.217 3.948 . 0 0 "[ . 1 . 2]" 2
1062 1 92 HIS HA 1 95 LEU QD . . 4.080 2.484 1.766 3.134 . 0 0 "[ . 1 . 2]" 2
1063 1 92 HIS QB 1 93 LYS H . . 3.380 2.625 2.298 2.957 . 0 0 "[ . 1 . 2]" 2
1064 1 93 LYS HA 1 93 LYS QG . . 3.500 2.376 2.130 2.664 . 0 0 "[ . 1 . 2]" 2
1065 1 93 LYS HA 1 93 LYS QD . . 3.800 2.995 2.110 3.742 . 0 0 "[ . 1 . 2]" 2
1066 1 93 LYS QB 1 93 LYS QD . . 2.870 2.210 2.054 2.379 . 0 0 "[ . 1 . 2]" 2
1067 1 93 LYS QB 1 93 LYS QE . . 3.950 3.111 2.115 3.743 . 0 0 "[ . 1 . 2]" 2
1068 1 93 LYS QE 1 93 LYS QG . . 3.320 2.211 2.029 2.559 . 0 0 "[ . 1 . 2]" 2
1069 1 94 THR HA 1 97 MET QB . . 5.340 3.727 2.238 5.036 . 0 0 "[ . 1 . 2]" 2
1070 1 94 THR HA 1 97 MET QG . . 4.390 3.325 2.025 4.385 . 0 0 "[ . 1 . 2]" 2
1071 1 95 LEU H 1 95 LEU QB . . 3.050 2.314 2.141 2.479 . 0 0 "[ . 1 . 2]" 2
1072 1 95 LEU H 1 95 LEU QD . . 3.720 3.083 1.867 3.350 . 0 0 "[ . 1 . 2]" 2
1073 1 95 LEU HA 1 95 LEU QD . . 3.370 2.479 1.942 3.272 . 0 0 "[ . 1 . 2]" 2
1074 1 95 LEU QB 1 96 HIS H . . 3.730 2.888 2.420 3.569 . 0 0 "[ . 1 . 2]" 2
1075 1 96 HIS H 1 96 HIS QB . . 3.150 2.294 2.186 2.421 . 0 0 "[ . 1 . 2]" 2
1076 1 96 HIS QB 1 97 MET H . . 4.110 3.110 1.968 3.911 . 0 0 "[ . 1 . 2]" 2
1077 1 97 MET H 1 97 MET QB . . 3.640 2.623 2.143 3.269 . 0 0 "[ . 1 . 2]" 2
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