NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507272 |
2ebt   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ebt
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 69
_Distance_constraint_stats_list.Viol_total 5.172
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0037
_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 18 CYS 0.029 0.011 16 0 "[ . 1 . 2]"
1 23 CYS 0.006 0.002 2 0 "[ . 1 . 2]"
1 36 HIS 0.011 0.006 16 0 "[ . 1 . 2]"
1 40 HIS 0.026 0.011 16 0 "[ . 1 . 2]"
1 48 CYS 0.014 0.003 2 0 "[ . 1 . 2]"
1 53 CYS 0.011 0.003 2 0 "[ . 1 . 2]"
1 66 HIS 0.000 0.000 9 0 "[ . 1 . 2]"
1 70 HIS 0.001 0.001 1 0 "[ . 1 . 2]"
1 78 CYS 0.043 0.011 12 0 "[ . 1 . 2]"
1 81 CYS 0.113 0.026 12 0 "[ . 1 . 2]"
1 94 HIS 0.069 0.012 19 0 "[ . 1 . 2]"
1 98 HIS 0.010 0.006 12 0 "[ . 1 . 2]"
2 1 ZN 0.035 0.010 16 0 "[ . 1 . 2]"
3 1 ZN 0.006 0.001 8 0 "[ . 1 . 2]"
4 1 ZN 0.144 0.026 12 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 18 CYS SG 2 1 ZN ZN . 2.250 2.350 2.302 2.248 2.348 0.002 17 0 "[ . 1 . 2]" 1
2 1 23 CYS SG 2 1 ZN ZN . 2.250 2.350 2.311 2.249 2.351 0.001 20 0 "[ . 1 . 2]" 1
3 1 36 HIS NE2 2 1 ZN ZN . . 2.050 2.025 1.962 2.056 0.006 16 0 "[ . 1 . 2]" 1
4 1 40 HIS NE2 2 1 ZN ZN . . 2.050 2.020 1.978 2.060 0.010 16 0 "[ . 1 . 2]" 1
5 1 18 CYS SG 1 23 CYS SG . 3.650 3.850 3.716 3.648 3.850 0.002 2 0 "[ . 1 . 2]" 1
6 1 18 CYS SG 1 36 HIS NE2 . 3.500 3.700 3.598 3.526 3.693 . 0 0 "[ . 1 . 2]" 1
7 1 18 CYS SG 1 40 HIS NE2 . 3.500 3.700 3.557 3.489 3.675 0.011 16 0 "[ . 1 . 2]" 1
8 1 23 CYS SG 1 36 HIS NE2 . 3.500 3.700 3.555 3.500 3.696 . 0 0 "[ . 1 . 2]" 1
9 1 23 CYS SG 1 40 HIS NE2 . 3.500 3.700 3.568 3.502 3.682 . 0 0 "[ . 1 . 2]" 1
10 1 36 HIS NE2 1 40 HIS NE2 . 3.160 3.360 3.217 3.155 3.342 0.005 16 0 "[ . 1 . 2]" 1
11 1 18 CYS CB 2 1 ZN ZN . 3.100 3.400 3.353 3.202 3.409 0.009 16 0 "[ . 1 . 2]" 1
12 1 23 CYS CB 2 1 ZN ZN . 3.100 3.400 3.266 3.100 3.401 0.001 19 0 "[ . 1 . 2]" 1
13 1 48 CYS SG 3 1 ZN ZN . 2.250 2.350 2.326 2.256 2.351 0.001 8 0 "[ . 1 . 2]" 1
14 1 53 CYS SG 3 1 ZN ZN . 2.250 2.350 2.324 2.273 2.351 0.001 18 0 "[ . 1 . 2]" 1
15 1 66 HIS NE2 3 1 ZN ZN . . 2.050 2.015 1.968 2.049 . 0 0 "[ . 1 . 2]" 1
16 1 70 HIS NE2 3 1 ZN ZN . . 2.050 2.029 1.975 2.051 0.001 1 0 "[ . 1 . 2]" 1
17 1 48 CYS CB 3 1 ZN ZN . 3.100 3.400 3.233 3.100 3.393 0.000 18 0 "[ . 1 . 2]" 1
18 1 53 CYS CB 3 1 ZN ZN . 3.100 3.400 3.212 3.101 3.400 . 7 0 "[ . 1 . 2]" 1
19 1 48 CYS SG 1 53 CYS SG . 3.650 3.850 3.803 3.654 3.853 0.003 2 0 "[ . 1 . 2]" 1
20 1 48 CYS SG 1 66 HIS NE2 . 3.500 3.700 3.557 3.500 3.682 0.000 9 0 "[ . 1 . 2]" 1
21 1 48 CYS SG 1 70 HIS NE2 . 3.500 3.700 3.591 3.500 3.682 . 2 0 "[ . 1 . 2]" 1
22 1 53 CYS SG 1 66 HIS NE2 . 3.500 3.700 3.573 3.503 3.673 . 0 0 "[ . 1 . 2]" 1
23 1 53 CYS SG 1 70 HIS NE2 . 3.500 3.700 3.594 3.506 3.700 0.000 19 0 "[ . 1 . 2]" 1
24 1 66 HIS NE2 1 70 HIS NE2 . 3.160 3.360 3.186 3.160 3.256 . 0 0 "[ . 1 . 2]" 1
25 1 78 CYS SG 4 1 ZN ZN . 2.250 2.350 2.334 2.306 2.361 0.011 12 0 "[ . 1 . 2]" 1
26 1 81 CYS SG 4 1 ZN ZN . 2.250 2.350 2.282 2.238 2.348 0.012 12 0 "[ . 1 . 2]" 1
27 1 94 HIS NE2 4 1 ZN ZN . . 2.050 2.033 1.974 2.062 0.012 19 0 "[ . 1 . 2]" 1
28 1 98 HIS NE2 4 1 ZN ZN . . 2.050 2.030 1.961 2.053 0.003 19 0 "[ . 1 . 2]" 1
29 1 78 CYS CB 4 1 ZN ZN . 3.100 3.400 3.258 3.107 3.402 0.002 20 0 "[ . 1 . 2]" 1
30 1 81 CYS CB 4 1 ZN ZN . 3.100 3.400 3.342 3.177 3.426 0.026 12 0 "[ . 1 . 2]" 1
31 1 78 CYS SG 1 81 CYS SG . 3.650 3.850 3.756 3.664 3.856 0.006 20 0 "[ . 1 . 2]" 1
32 1 78 CYS SG 1 94 HIS NE2 . 3.500 3.700 3.556 3.494 3.690 0.006 12 0 "[ . 1 . 2]" 1
33 1 78 CYS SG 1 98 HIS NE2 . 3.500 3.700 3.595 3.501 3.696 . 0 0 "[ . 1 . 2]" 1
34 1 81 CYS SG 1 94 HIS NE2 . 3.500 3.700 3.513 3.491 3.575 0.009 12 0 "[ . 1 . 2]" 1
35 1 81 CYS SG 1 98 HIS NE2 . 3.500 3.700 3.633 3.503 3.700 . 12 0 "[ . 1 . 2]" 1
36 1 94 HIS NE2 1 98 HIS NE2 . 3.160 3.360 3.203 3.154 3.329 0.006 12 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1152
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 1332.510
_Distance_constraint_stats_list.Viol_max 0.987
_Distance_constraint_stats_list.Viol_rms 0.0397
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.2115
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.186 0.127 13 0 "[ . 1 . 2]"
1 12 LYS 0.081 0.041 19 0 "[ . 1 . 2]"
1 13 ARG 0.013 0.013 1 0 "[ . 1 . 2]"
1 14 ARG 0.102 0.031 9 0 "[ . 1 . 2]"
1 15 ILE 0.092 0.039 12 0 "[ . 1 . 2]"
1 16 HIS 0.083 0.039 12 0 "[ . 1 . 2]"
1 17 TYR 0.073 0.041 16 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.002 8 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 2.179 0.191 16 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 5.883 0.518 8 2 "[ -. + 1 . 2]"
1 23 CYS 5.919 0.518 8 2 "[ -. + 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.026 0.010 10 0 "[ . 1 . 2]"
1 26 VAL 0.220 0.055 12 0 "[ . 1 . 2]"
1 27 TYR 0.120 0.055 12 0 "[ . 1 . 2]"
1 28 THR 0.003 0.003 11 0 "[ . 1 . 2]"
1 29 LYS 0.001 0.001 17 0 "[ . 1 . 2]"
1 30 SER 0.001 0.001 15 0 "[ . 1 . 2]"
1 31 SER 0.010 0.010 13 0 "[ . 1 . 2]"
1 32 HIS 0.001 0.001 17 0 "[ . 1 . 2]"
1 33 LEU 0.004 0.003 19 0 "[ . 1 . 2]"
1 34 LYS 0.042 0.015 16 0 "[ . 1 . 2]"
1 35 ALA 0.022 0.022 6 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 2.199 0.191 16 0 "[ . 1 . 2]"
1 38 ARG 0.022 0.022 6 0 "[ . 1 . 2]"
1 39 THR 0.062 0.037 20 0 "[ . 1 . 2]"
1 40 HIS 11.999 0.981 20 11 "[* * -* * 1 ** .** *+]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.007 0.005 14 0 "[ . 1 . 2]"
1 44 LYS 0.008 0.006 4 0 "[ . 1 . 2]"
1 45 PRO 0.022 0.010 6 0 "[ . 1 . 2]"
1 46 TYR 0.102 0.038 14 0 "[ . 1 . 2]"
1 47 LYS 0.163 0.060 16 0 "[ . 1 . 2]"
1 48 CYS 0.070 0.060 16 0 "[ . 1 . 2]"
1 49 THR 0.383 0.113 17 0 "[ . 1 . 2]"
1 50 TRP 0.184 0.089 3 0 "[ . 1 . 2]"
1 51 GLU 0.015 0.012 16 0 "[ . 1 . 2]"
1 52 GLY 13.755 0.987 15 16 "[* ** ***1**-*+*****]"
1 53 CYS 24.490 0.987 15 18 "[* *****-*1****+*****]"
1 54 ASP 10.720 0.617 9 14 "[* *****-+1* .*****]"
1 55 TRP 0.010 0.005 12 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.015 0.005 20 0 "[ . 1 . 2]"
1 58 ALA 0.008 0.006 4 0 "[ . 1 . 2]"
1 59 ARG 0.026 0.013 15 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.019 0.008 15 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.023 0.023 20 0 "[ . 1 . 2]"
1 65 ARG 0.052 0.023 6 0 "[ . 1 . 2]"
1 66 HIS 0.030 0.023 6 0 "[ . 1 . 2]"
1 67 TYR 0.003 0.003 8 0 "[ . 1 . 2]"
1 68 ARG 0.040 0.012 2 0 "[ . 1 . 2]"
1 69 LYS 0.051 0.041 11 0 "[ . 1 . 2]"
1 70 HIS 9.756 0.792 14 10 "[ * *** **1 * +- *]"
1 71 THR 0.000 0.000 5 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.059 0.022 13 0 "[ . 1 . 2]"
1 75 PRO 0.059 0.026 20 0 "[ . 1 . 2]"
1 76 PHE 0.068 0.031 17 0 "[ . 1 . 2]"
1 77 GLN 0.032 0.020 20 0 "[ . 1 . 2]"
1 78 CYS 0.164 0.073 12 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 8.862 0.557 3 7 "[ + .* -1* *.* *]"
1 81 CYS 8.880 0.557 3 7 "[ + .* -1* *.* *]"
1 82 ASN 0.028 0.028 12 0 "[ . 1 . 2]"
1 83 ARG 0.211 0.074 20 0 "[ . 1 . 2]"
1 84 SER 0.313 0.073 12 0 "[ . 1 . 2]"
1 85 PHE 0.157 0.055 12 0 "[ . 1 . 2]"
1 86 SER 0.048 0.035 11 0 "[ . 1 . 2]"
1 87 ARG 0.050 0.035 11 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.004 0.003 12 0 "[ . 1 . 2]"
1 90 HIS 0.021 0.014 17 0 "[ . 1 . 2]"
1 91 LEU 0.041 0.019 17 0 "[ . 1 . 2]"
1 92 ALA 0.024 0.017 12 0 "[ . 1 . 2]"
1 93 LEU 0.126 0.054 3 0 "[ . 1 . 2]"
1 94 HIS 0.091 0.040 13 0 "[ . 1 . 2]"
1 95 MET 0.093 0.040 13 0 "[ . 1 . 2]"
1 96 LYS 0.392 0.161 18 0 "[ . 1 . 2]"
1 97 ARG 0.543 0.120 18 0 "[ . 1 . 2]"
1 98 HIS 0.010 0.010 20 0 "[ . 1 . 2]"
1 99 GLN 0.033 0.033 5 0 "[ . 1 . 2]"
1 100 ASN 0.033 0.033 5 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 46 TYR H 1 47 LYS H . . 4.490 4.403 4.063 4.528 0.038 14 0 "[ . 1 . 2]" 2
2 1 46 TYR QD 1 47 LYS H . . 4.560 4.333 3.996 4.580 0.020 18 0 "[ . 1 . 2]" 2
3 1 47 LYS H 1 56 ARG HA . . 5.290 4.817 4.474 5.095 . 0 0 "[ . 1 . 2]" 2
4 1 46 TYR HA 1 47 LYS H . . 2.920 2.160 2.136 2.274 . 0 0 "[ . 1 . 2]" 2
5 1 46 TYR HB3 1 47 LYS H . . 4.260 3.513 3.125 4.066 . 0 0 "[ . 1 . 2]" 2
6 1 46 TYR HB2 1 47 LYS H . . 4.700 4.288 4.070 4.556 . 0 0 "[ . 1 . 2]" 2
7 1 47 LYS H 1 47 LYS HB2 . . 3.930 3.373 2.652 3.869 . 0 0 "[ . 1 . 2]" 2
8 1 47 LYS H 1 47 LYS HB3 . . 3.930 2.819 2.369 3.159 . 0 0 "[ . 1 . 2]" 2
9 1 47 LYS H 1 47 LYS HG2 . . 4.890 3.672 2.112 4.660 . 0 0 "[ . 1 . 2]" 2
10 1 47 LYS H 1 63 LEU MD2 . . 4.250 3.374 2.766 4.238 . 0 0 "[ . 1 . 2]" 2
11 1 47 LYS H 1 47 LYS HG3 . . 4.890 4.206 2.295 4.908 0.018 3 0 "[ . 1 . 2]" 2
12 1 99 GLN HA 1 100 ASN H . . 3.250 2.272 2.141 2.606 . 0 0 "[ . 1 . 2]" 2
13 1 99 GLN HB2 1 100 ASN H . . 4.740 3.862 2.259 4.640 . 0 0 "[ . 1 . 2]" 2
14 1 99 GLN HB3 1 100 ASN H . . 4.740 3.620 2.098 4.440 . 0 0 "[ . 1 . 2]" 2
15 1 22 GLY H 1 23 CYS H . . 2.800 3.092 2.751 3.318 0.518 8 2 "[ -. + 1 . 2]" 2
16 1 20 TYR QD 1 23 CYS H . . 4.280 2.931 2.336 4.071 . 0 0 "[ . 1 . 2]" 2
17 1 21 PRO HA 1 23 CYS H . . 4.220 3.938 3.179 4.206 . 0 0 "[ . 1 . 2]" 2
18 1 23 CYS H 1 23 CYS HB3 . . 3.290 2.530 2.293 2.802 . 0 0 "[ . 1 . 2]" 2
19 1 23 CYS H 1 23 CYS HB2 . . 3.300 2.668 2.282 3.312 0.012 13 0 "[ . 1 . 2]" 2
20 1 77 GLN H 1 77 GLN HB2 . . 4.080 3.111 2.803 3.368 . 0 0 "[ . 1 . 2]" 2
21 1 77 GLN H 1 77 GLN HB3 . . 4.080 2.750 2.505 2.972 . 0 0 "[ . 1 . 2]" 2
22 1 77 GLN H 1 91 LEU MD2 . . 4.590 3.530 2.960 4.109 . 0 0 "[ . 1 . 2]" 2
23 1 16 HIS H 1 27 TYR H . . 3.880 3.336 2.861 3.788 . 0 0 "[ . 1 . 2]" 2
24 1 16 HIS H 1 16 HIS HD2 . . 4.030 2.933 2.001 3.886 . 0 0 "[ . 1 . 2]" 2
25 1 16 HIS H 1 28 THR HA . . 4.480 3.349 2.677 4.036 . 0 0 "[ . 1 . 2]" 2
26 1 16 HIS H 1 16 HIS HB2 . . 4.100 2.664 2.281 3.077 . 0 0 "[ . 1 . 2]" 2
27 1 16 HIS H 1 16 HIS HB3 . . 4.100 3.760 3.554 3.990 . 0 0 "[ . 1 . 2]" 2
28 1 16 HIS H 1 26 VAL HB . . 4.920 4.382 3.485 4.928 0.008 11 0 "[ . 1 . 2]" 2
29 1 15 ILE HG12 1 16 HIS H . . 5.490 4.573 4.062 5.041 . 0 0 "[ . 1 . 2]" 2
30 1 16 HIS H 1 33 LEU MD2 . . 5.500 5.028 4.346 5.404 . 0 0 "[ . 1 . 2]" 2
31 1 15 ILE HG13 1 16 HIS H . . 5.490 4.955 4.344 5.426 . 0 0 "[ . 1 . 2]" 2
32 1 15 ILE MD 1 16 HIS H . . 5.400 4.366 3.428 5.285 . 0 0 "[ . 1 . 2]" 2
33 1 16 HIS H 1 26 VAL MG1 . . 5.500 4.659 2.207 5.469 . 0 0 "[ . 1 . 2]" 2
34 1 17 TYR QD 1 18 CYS H . . 4.680 4.337 3.535 4.638 . 0 0 "[ . 1 . 2]" 2
35 1 17 TYR HA 1 18 CYS H . . 3.030 2.158 2.138 2.239 . 0 0 "[ . 1 . 2]" 2
36 1 18 CYS H 1 18 CYS QB . . 3.320 2.250 2.194 2.289 . 0 0 "[ . 1 . 2]" 2
37 1 18 CYS H 1 33 LEU MD1 . . 4.130 3.587 3.247 4.040 . 0 0 "[ . 1 . 2]" 2
38 1 53 CYS H 1 54 ASP H . . 4.000 4.536 4.385 4.617 0.617 9 14 "[* *****-+1* .*****]" 2
39 1 51 GLU H 1 53 CYS H . . 5.070 4.350 4.138 4.674 . 0 0 "[ . 1 . 2]" 2
40 1 53 CYS H 1 70 HIS HE1 . . 5.500 4.866 4.018 5.451 . 0 0 "[ . 1 . 2]" 2
41 1 50 TRP HD1 1 53 CYS H . . 4.330 2.646 2.104 3.361 . 0 0 "[ . 1 . 2]" 2
42 1 51 GLU HA 1 53 CYS H . . 4.170 4.077 3.919 4.182 0.012 16 0 "[ . 1 . 2]" 2
43 1 53 CYS H 1 53 CYS HB2 . . 3.330 2.395 2.182 2.609 . 0 0 "[ . 1 . 2]" 2
44 1 53 CYS H 1 53 CYS HB3 . . 3.330 2.688 2.450 2.944 . 0 0 "[ . 1 . 2]" 2
45 1 18 CYS H 1 26 VAL HB . . 5.500 4.435 3.851 5.502 0.002 8 0 "[ . 1 . 2]" 2
46 1 25 LYS H 1 25 LYS HG3 . . 4.040 3.862 3.449 4.028 . 0 0 "[ . 1 . 2]" 2
47 1 52 GLY H 1 53 CYS H . . 2.500 3.188 2.913 3.487 0.987 15 16 "[* ** ***1**-*+*****]" 2
48 1 18 CYS QB 1 25 LYS H . . 4.250 3.163 2.646 3.659 . 0 0 "[ . 1 . 2]" 2
49 1 25 LYS H 1 25 LYS HB2 . . 3.410 2.387 2.235 2.515 . 0 0 "[ . 1 . 2]" 2
50 1 25 LYS H 1 25 LYS HG2 . . 4.040 2.937 2.502 3.310 . 0 0 "[ . 1 . 2]" 2
51 1 25 LYS H 1 25 LYS HB3 . . 3.800 3.617 3.501 3.704 . 0 0 "[ . 1 . 2]" 2
52 1 24 THR MG 1 25 LYS H . . 4.690 4.284 3.732 4.375 . 0 0 "[ . 1 . 2]" 2
53 1 80 VAL H 1 82 ASN H . . 4.750 3.609 3.174 3.842 . 0 0 "[ . 1 . 2]" 2
54 1 78 CYS HA 1 80 VAL H . . 5.040 4.843 4.495 5.012 . 0 0 "[ . 1 . 2]" 2
55 1 80 VAL H 1 80 VAL HB . . 3.460 2.527 2.433 2.611 . 0 0 "[ . 1 . 2]" 2
56 1 80 VAL H 1 80 VAL MG1 . . 4.530 3.762 3.745 3.770 . 0 0 "[ . 1 . 2]" 2
57 1 57 PHE HB3 1 58 ALA H . . 4.370 2.500 2.066 3.258 . 0 0 "[ . 1 . 2]" 2
58 1 57 PHE HB2 1 58 ALA H . . 4.810 3.568 3.162 4.061 . 0 0 "[ . 1 . 2]" 2
59 1 17 TYR H 1 18 CYS H . . 4.850 4.410 4.199 4.594 . 0 0 "[ . 1 . 2]" 2
60 1 17 TYR H 1 17 TYR QD . . 3.420 2.664 1.976 3.236 . 0 0 "[ . 1 . 2]" 2
61 1 17 TYR H 1 17 TYR HB2 . . 3.970 2.561 2.205 2.794 . 0 0 "[ . 1 . 2]" 2
62 1 17 TYR H 1 33 LEU MD2 . . 4.630 4.427 4.144 4.621 . 0 0 "[ . 1 . 2]" 2
63 1 15 ILE MG 1 17 TYR H . . 4.740 3.867 3.044 4.661 . 0 0 "[ . 1 . 2]" 2
64 1 57 PHE QD 1 58 ALA H . . 4.840 3.913 3.548 4.442 . 0 0 "[ . 1 . 2]" 2
65 1 55 TRP H 1 55 TRP HD1 . . 3.610 3.384 3.056 3.580 . 0 0 "[ . 1 . 2]" 2
66 1 55 TRP H 1 56 ARG H . . 4.660 4.567 4.516 4.605 . 0 0 "[ . 1 . 2]" 2
67 1 53 CYS HA 1 55 TRP H . . 4.580 3.818 3.604 4.072 . 0 0 "[ . 1 . 2]" 2
68 1 48 CYS HB2 1 55 TRP H . . 4.380 4.069 3.631 4.385 0.005 12 0 "[ . 1 . 2]" 2
69 1 55 TRP H 1 55 TRP HB2 . . 3.610 2.258 2.169 2.332 . 0 0 "[ . 1 . 2]" 2
70 1 55 TRP H 1 55 TRP HB3 . . 3.610 3.534 3.474 3.591 . 0 0 "[ . 1 . 2]" 2
71 1 9 ASP HA 1 10 LEU H . . 3.310 2.322 2.140 2.533 . 0 0 "[ . 1 . 2]" 2
72 1 10 LEU H 1 10 LEU HG . . 3.650 3.009 2.090 3.620 . 0 0 "[ . 1 . 2]" 2
73 1 36 HIS HB3 1 37 LEU H . . 3.960 2.582 2.254 2.842 . 0 0 "[ . 1 . 2]" 2
74 1 36 HIS HB2 1 37 LEU H . . 4.280 3.919 3.655 4.083 . 0 0 "[ . 1 . 2]" 2
75 1 37 LEU H 1 37 LEU HG . . 3.390 2.603 2.182 2.809 . 0 0 "[ . 1 . 2]" 2
76 1 37 LEU H 1 37 LEU HB3 . . 3.780 3.565 3.517 3.608 . 0 0 "[ . 1 . 2]" 2
77 1 33 LEU MD1 1 37 LEU H . . 4.390 3.606 2.900 4.216 . 0 0 "[ . 1 . 2]" 2
78 1 31 SER QB 1 32 HIS H . . 4.720 2.572 2.307 3.469 . 0 0 "[ . 1 . 2]" 2
79 1 29 LYS HB3 1 32 HIS H . . 4.040 2.844 2.188 3.571 . 0 0 "[ . 1 . 2]" 2
80 1 29 LYS HB2 1 32 HIS H . . 3.860 3.371 3.024 3.627 . 0 0 "[ . 1 . 2]" 2
81 1 32 HIS H 1 34 LYS H . . 4.790 4.479 4.119 4.756 . 0 0 "[ . 1 . 2]" 2
82 1 32 HIS H 1 32 HIS HD2 . . 4.170 3.228 1.942 4.141 . 0 0 "[ . 1 . 2]" 2
83 1 30 SER HA 1 32 HIS H . . 4.800 4.398 3.963 4.707 . 0 0 "[ . 1 . 2]" 2
84 1 32 HIS H 1 32 HIS HB2 . . 3.740 2.414 2.239 2.742 . 0 0 "[ . 1 . 2]" 2
85 1 32 HIS H 1 32 HIS HB3 . . 4.060 3.572 3.528 3.607 . 0 0 "[ . 1 . 2]" 2
86 1 32 HIS H 1 35 ALA MB . . 5.500 5.141 4.635 5.487 . 0 0 "[ . 1 . 2]" 2
87 1 29 LYS QG 1 32 HIS H . . 5.130 4.639 3.956 5.053 . 0 0 "[ . 1 . 2]" 2
88 1 34 LYS HA 1 37 LEU H . . 3.990 3.607 3.269 3.773 . 0 0 "[ . 1 . 2]" 2
89 1 37 LEU H 1 37 LEU HB2 . . 3.340 2.342 2.222 2.555 . 0 0 "[ . 1 . 2]" 2
90 1 37 LEU H 1 37 LEU MD2 . . 4.140 3.739 3.273 3.977 . 0 0 "[ . 1 . 2]" 2
91 1 37 LEU H 1 37 LEU MD1 . . 4.140 3.562 3.313 3.711 . 0 0 "[ . 1 . 2]" 2
92 1 81 CYS H 1 83 ARG H . . 4.780 4.390 4.203 4.559 . 0 0 "[ . 1 . 2]" 2
93 1 78 CYS HB3 1 83 ARG H . . 3.620 1.994 1.871 2.256 . 0 0 "[ . 1 . 2]" 2
94 1 78 CYS HB2 1 83 ARG H . . 4.210 2.580 1.902 3.069 . 0 0 "[ . 1 . 2]" 2
95 1 83 ARG H 1 83 ARG HB2 . . 3.830 2.362 2.184 3.229 . 0 0 "[ . 1 . 2]" 2
96 1 83 ARG H 1 83 ARG HB3 . . 3.830 3.419 2.349 3.646 . 0 0 "[ . 1 . 2]" 2
97 1 89 ASP HA 1 92 ALA H . . 3.830 3.587 3.323 3.833 0.003 12 0 "[ . 1 . 2]" 2
98 1 88 SER HA 1 92 ALA H . . 4.880 4.417 3.897 4.859 . 0 0 "[ . 1 . 2]" 2
99 1 91 LEU HB3 1 92 ALA H . . 3.540 2.406 2.191 2.732 . 0 0 "[ . 1 . 2]" 2
100 1 91 LEU HG 1 92 ALA H . . 4.340 3.211 2.683 3.591 . 0 0 "[ . 1 . 2]" 2
101 1 92 ALA H 1 92 ALA MB . . 2.850 2.073 2.027 2.236 . 0 0 "[ . 1 . 2]" 2
102 1 91 LEU HB2 1 92 ALA H . . 4.160 3.825 3.679 4.041 . 0 0 "[ . 1 . 2]" 2
103 1 91 LEU MD1 1 92 ALA H . . 5.360 4.266 3.944 4.474 . 0 0 "[ . 1 . 2]" 2
104 1 91 LEU MD2 1 92 ALA H . . 5.500 3.820 3.504 4.149 . 0 0 "[ . 1 . 2]" 2
105 1 90 HIS H 1 92 ALA H . . 4.680 4.469 4.045 4.678 . 0 0 "[ . 1 . 2]" 2
106 1 90 HIS H 1 90 HIS HD2 . . 3.810 3.352 2.142 3.801 . 0 0 "[ . 1 . 2]" 2
107 1 90 HIS H 1 90 HIS HB2 . . 3.190 2.381 2.217 2.619 . 0 0 "[ . 1 . 2]" 2
108 1 90 HIS H 1 90 HIS HB3 . . 3.800 3.570 3.516 3.602 . 0 0 "[ . 1 . 2]" 2
109 1 88 SER HA 1 90 HIS H . . 4.470 4.296 4.129 4.463 . 0 0 "[ . 1 . 2]" 2
110 1 89 ASP HB2 1 90 HIS H . . 4.480 3.383 2.529 4.063 . 0 0 "[ . 1 . 2]" 2
111 1 89 ASP HB3 1 90 HIS H . . 4.480 3.265 2.469 4.114 . 0 0 "[ . 1 . 2]" 2
112 1 87 ARG HB2 1 90 HIS H . . 3.650 3.089 2.701 3.450 . 0 0 "[ . 1 . 2]" 2
113 1 87 ARG HB3 1 90 HIS H . . 3.650 3.093 2.394 3.579 . 0 0 "[ . 1 . 2]" 2
114 1 33 LEU H 1 34 LYS H . . 3.330 2.949 2.722 3.175 . 0 0 "[ . 1 . 2]" 2
115 1 32 HIS H 1 33 LEU H . . 3.400 2.762 2.435 2.973 . 0 0 "[ . 1 . 2]" 2
116 1 27 TYR HB3 1 33 LEU H . . 4.700 3.918 3.238 4.695 . 0 0 "[ . 1 . 2]" 2
117 1 30 SER HA 1 33 LEU H . . 3.950 3.468 3.025 3.951 0.001 15 0 "[ . 1 . 2]" 2
118 1 32 HIS HB2 1 33 LEU H . . 3.930 2.558 2.244 2.782 . 0 0 "[ . 1 . 2]" 2
119 1 32 HIS HB3 1 33 LEU H . . 4.040 3.420 3.060 3.926 . 0 0 "[ . 1 . 2]" 2
120 1 27 TYR HB2 1 33 LEU H . . 4.630 3.393 2.973 3.967 . 0 0 "[ . 1 . 2]" 2
121 1 33 LEU H 1 33 LEU HB3 . . 3.320 2.467 2.278 2.680 . 0 0 "[ . 1 . 2]" 2
122 1 33 LEU H 1 34 LYS QB . . 4.770 4.624 4.396 4.773 0.003 19 0 "[ . 1 . 2]" 2
123 1 33 LEU H 1 33 LEU HG . . 4.670 4.450 4.302 4.555 . 0 0 "[ . 1 . 2]" 2
124 1 33 LEU H 1 33 LEU HB2 . . 3.540 2.561 2.384 2.755 . 0 0 "[ . 1 . 2]" 2
125 1 33 LEU H 1 33 LEU MD2 . . 4.370 4.196 4.119 4.239 . 0 0 "[ . 1 . 2]" 2
126 1 27 TYR H 1 27 TYR QD . . 3.660 3.012 2.614 3.651 . 0 0 "[ . 1 . 2]" 2
127 1 26 VAL HA 1 27 TYR H . . 3.040 2.316 2.168 2.645 . 0 0 "[ . 1 . 2]" 2
128 1 27 TYR H 1 27 TYR HB2 . . 3.770 2.834 2.599 3.059 . 0 0 "[ . 1 . 2]" 2
129 1 26 VAL HB 1 27 TYR H . . 4.190 3.008 2.019 4.114 . 0 0 "[ . 1 . 2]" 2
130 1 26 VAL MG1 1 27 TYR H . . 3.960 3.540 1.879 3.972 0.012 15 0 "[ . 1 . 2]" 2
131 1 26 VAL MG2 1 27 TYR H . . 3.960 3.213 2.110 4.015 0.055 12 0 "[ . 1 . 2]" 2
132 1 63 LEU H 1 63 LEU HG . . 4.460 4.367 4.256 4.440 . 0 0 "[ . 1 . 2]" 2
133 1 63 LEU H 1 63 LEU MD2 . . 4.480 4.180 4.107 4.243 . 0 0 "[ . 1 . 2]" 2
134 1 91 LEU H 1 92 ALA H . . 3.170 2.800 2.630 2.942 . 0 0 "[ . 1 . 2]" 2
135 1 91 LEU H 1 93 LEU H . . 4.700 4.389 3.962 4.651 . 0 0 "[ . 1 . 2]" 2
136 1 91 LEU H 1 94 HIS H . . 5.170 4.671 4.466 4.976 . 0 0 "[ . 1 . 2]" 2
137 1 89 ASP HA 1 91 LEU H . . 4.720 4.401 4.112 4.657 . 0 0 "[ . 1 . 2]" 2
138 1 90 HIS HB2 1 91 LEU H . . 3.290 2.626 2.466 2.816 . 0 0 "[ . 1 . 2]" 2
139 1 90 HIS HB3 1 91 LEU H . . 3.790 3.417 3.103 3.707 . 0 0 "[ . 1 . 2]" 2
140 1 88 SER HA 1 91 LEU H . . 3.800 3.475 3.266 3.774 . 0 0 "[ . 1 . 2]" 2
141 1 85 PHE HB2 1 91 LEU H . . 4.360 4.036 3.622 4.322 . 0 0 "[ . 1 . 2]" 2
142 1 91 LEU H 1 91 LEU HB3 . . 3.080 2.352 2.225 2.471 . 0 0 "[ . 1 . 2]" 2
143 1 91 LEU H 1 91 LEU HG . . 4.440 4.370 4.252 4.459 0.019 17 0 "[ . 1 . 2]" 2
144 1 91 LEU H 1 92 ALA MB . . 4.360 4.302 4.217 4.363 0.003 17 0 "[ . 1 . 2]" 2
145 1 91 LEU H 1 91 LEU HB2 . . 3.250 2.670 2.534 2.831 . 0 0 "[ . 1 . 2]" 2
146 1 91 LEU H 1 91 LEU MD2 . . 5.010 4.174 4.081 4.229 . 0 0 "[ . 1 . 2]" 2
147 1 57 PHE HB3 1 63 LEU H . . 4.550 3.717 3.182 4.166 . 0 0 "[ . 1 . 2]" 2
148 1 62 GLU HB2 1 63 LEU H . . 3.950 2.490 2.253 2.706 . 0 0 "[ . 1 . 2]" 2
149 1 63 LEU H 1 63 LEU HB3 . . 3.490 2.347 2.241 2.431 . 0 0 "[ . 1 . 2]" 2
150 1 63 LEU H 1 63 LEU MD1 . . 4.510 4.183 4.111 4.238 . 0 0 "[ . 1 . 2]" 2
151 1 57 PHE QD 1 63 LEU H . . 4.580 4.032 3.487 4.323 . 0 0 "[ . 1 . 2]" 2
152 1 60 SER HA 1 63 LEU H . . 4.100 3.633 3.448 3.965 . 0 0 "[ . 1 . 2]" 2
153 1 57 PHE HB2 1 63 LEU H . . 4.720 3.370 2.767 3.877 . 0 0 "[ . 1 . 2]" 2
154 1 62 GLU HB3 1 63 LEU H . . 4.180 3.340 2.923 3.735 . 0 0 "[ . 1 . 2]" 2
155 1 63 LEU H 1 63 LEU HB2 . . 3.770 2.682 2.580 2.803 . 0 0 "[ . 1 . 2]" 2
156 1 91 LEU H 1 92 ALA HA . . 5.500 5.364 5.252 5.446 . 0 0 "[ . 1 . 2]" 2
157 1 85 PHE HB3 1 91 LEU H . . 4.490 4.013 3.606 4.484 . 0 0 "[ . 1 . 2]" 2
158 1 67 TYR H 1 70 HIS HD2 . . 4.840 4.726 4.482 4.838 . 0 0 "[ . 1 . 2]" 2
159 1 66 HIS HB2 1 67 TYR H . . 4.160 3.988 3.768 4.147 . 0 0 "[ . 1 . 2]" 2
160 1 67 TYR H 1 68 ARG HB2 . . 5.130 4.835 4.562 5.045 . 0 0 "[ . 1 . 2]" 2
161 1 63 LEU MD1 1 67 TYR H . . 4.230 3.461 2.572 3.994 . 0 0 "[ . 1 . 2]" 2
162 1 66 HIS HD2 1 67 TYR H . . 3.760 3.175 2.700 3.743 . 0 0 "[ . 1 . 2]" 2
163 1 63 LEU HA 1 67 TYR H . . 4.410 3.934 3.536 4.215 . 0 0 "[ . 1 . 2]" 2
164 1 67 TYR H 1 67 TYR HB2 . . 3.290 2.253 2.187 2.381 . 0 0 "[ . 1 . 2]" 2
165 1 66 HIS HB3 1 67 TYR H . . 3.730 2.657 2.319 2.913 . 0 0 "[ . 1 . 2]" 2
166 1 10 LEU HA 1 11 GLU H . . 3.470 2.367 2.141 2.596 . 0 0 "[ . 1 . 2]" 2
167 1 11 GLU H 1 11 GLU HG2 . . 4.490 3.407 2.219 4.517 0.027 13 0 "[ . 1 . 2]" 2
168 1 11 GLU H 1 11 GLU HG3 . . 4.490 3.520 2.053 4.523 0.033 13 0 "[ . 1 . 2]" 2
169 1 11 GLU H 1 11 GLU HB2 . . 4.100 3.421 2.678 4.033 . 0 0 "[ . 1 . 2]" 2
170 1 11 GLU H 1 11 GLU HB3 . . 4.100 3.494 2.492 3.938 . 0 0 "[ . 1 . 2]" 2
171 1 10 LEU HB2 1 11 GLU H . . 4.580 2.969 2.014 4.390 . 0 0 "[ . 1 . 2]" 2
172 1 10 LEU HB3 1 11 GLU H . . 4.580 3.468 2.258 3.996 . 0 0 "[ . 1 . 2]" 2
173 1 91 LEU HA 1 94 HIS H . . 3.810 3.579 3.351 3.803 . 0 0 "[ . 1 . 2]" 2
174 1 94 HIS H 1 94 HIS HB2 . . 3.180 2.833 2.634 3.049 . 0 0 "[ . 1 . 2]" 2
175 1 93 LEU HB2 1 94 HIS H . . 3.990 3.441 2.686 3.992 0.002 18 0 "[ . 1 . 2]" 2
176 1 93 LEU HB3 1 94 HIS H . . 3.990 2.919 2.142 3.774 . 0 0 "[ . 1 . 2]" 2
177 1 92 ALA MB 1 94 HIS H . . 4.830 4.355 3.987 4.738 . 0 0 "[ . 1 . 2]" 2
178 1 93 LEU MD1 1 94 HIS H . . 5.170 4.638 4.161 4.954 . 0 0 "[ . 1 . 2]" 2
179 1 39 THR H 1 40 HIS H . . 3.180 2.821 2.361 3.140 . 0 0 "[ . 1 . 2]" 2
180 1 40 HIS H 1 41 THR H . . 4.260 2.668 2.419 2.822 . 0 0 "[ . 1 . 2]" 2
181 1 40 HIS H 1 40 HIS HD2 . . 3.000 3.597 3.206 3.981 0.981 20 11 "[* * -* * 1 ** .** *+]" 2
182 1 39 THR HB 1 40 HIS H . . 4.500 3.660 3.315 4.073 . 0 0 "[ . 1 . 2]" 2
183 1 37 LEU HA 1 40 HIS H . . 4.050 3.356 2.839 3.740 . 0 0 "[ . 1 . 2]" 2
184 1 40 HIS H 1 40 HIS HB2 . . 3.350 2.413 2.208 2.713 . 0 0 "[ . 1 . 2]" 2
185 1 40 HIS H 1 40 HIS HB3 . . 3.750 3.572 3.511 3.638 . 0 0 "[ . 1 . 2]" 2
186 1 39 THR MG 1 40 HIS H . . 3.940 3.831 3.724 3.977 0.037 20 0 "[ . 1 . 2]" 2
187 1 62 GLU H 1 63 LEU H . . 3.250 2.943 2.744 3.083 . 0 0 "[ . 1 . 2]" 2
188 1 62 GLU H 1 62 GLU HB2 . . 3.490 2.471 2.239 2.667 . 0 0 "[ . 1 . 2]" 2
189 1 62 GLU H 1 62 GLU HG2 . . 3.940 2.500 1.922 3.708 . 0 0 "[ . 1 . 2]" 2
190 1 59 ARG HB3 1 62 GLU H . . 3.990 3.039 2.407 3.671 . 0 0 "[ . 1 . 2]" 2
191 1 62 GLU H 1 62 GLU HB3 . . 3.960 3.583 3.525 3.611 . 0 0 "[ . 1 . 2]" 2
192 1 59 ARG HB2 1 62 GLU H . . 3.710 3.042 2.559 3.482 . 0 0 "[ . 1 . 2]" 2
193 1 34 LYS H 1 35 ALA H . . 3.370 2.976 2.855 3.147 . 0 0 "[ . 1 . 2]" 2
194 1 33 LEU H 1 35 ALA H . . 4.600 4.426 4.154 4.579 . 0 0 "[ . 1 . 2]" 2
195 1 32 HIS HA 1 35 ALA H . . 3.970 3.641 3.469 3.818 . 0 0 "[ . 1 . 2]" 2
196 1 34 LYS QB 1 35 ALA H . . 3.200 2.464 2.239 2.620 . 0 0 "[ . 1 . 2]" 2
197 1 35 ALA H 1 35 ALA MB . . 2.750 2.073 2.025 2.230 . 0 0 "[ . 1 . 2]" 2
198 1 63 LEU MD1 1 66 HIS H . . 4.660 4.416 4.149 4.649 . 0 0 "[ . 1 . 2]" 2
199 1 66 HIS H 1 67 TYR H . . 3.380 2.729 2.531 2.886 . 0 0 "[ . 1 . 2]" 2
200 1 63 LEU HA 1 66 HIS H . . 4.040 3.407 3.170 3.664 . 0 0 "[ . 1 . 2]" 2
201 1 66 HIS H 1 67 TYR HB2 . . 4.990 4.777 4.533 4.993 0.003 8 0 "[ . 1 . 2]" 2
202 1 66 HIS H 1 66 HIS HB3 . . 3.230 2.274 2.182 2.370 . 0 0 "[ . 1 . 2]" 2
203 1 66 HIS H 1 66 HIS HB2 . . 3.350 2.830 2.701 2.993 . 0 0 "[ . 1 . 2]" 2
204 1 64 THR H 1 65 ARG H . . 3.410 2.974 2.741 3.122 . 0 0 "[ . 1 . 2]" 2
205 1 61 ASP HA 1 65 ARG H . . 4.470 4.082 3.426 4.470 . 0 0 "[ . 1 . 2]" 2
206 1 64 THR HB 1 65 ARG H . . 3.280 2.408 2.125 2.707 . 0 0 "[ . 1 . 2]" 2
207 1 65 ARG H 1 66 HIS HB3 . . 4.770 4.684 4.527 4.793 0.023 6 0 "[ . 1 . 2]" 2
208 1 64 THR MG 1 65 ARG H . . 3.850 3.377 3.164 3.603 . 0 0 "[ . 1 . 2]" 2
209 1 63 LEU H 1 65 ARG H . . 4.810 4.360 4.016 4.596 . 0 0 "[ . 1 . 2]" 2
210 1 31 SER HA 1 34 LYS H . . 4.200 3.814 3.387 4.029 . 0 0 "[ . 1 . 2]" 2
211 1 30 SER HA 1 34 LYS H . . 4.690 4.389 4.102 4.681 . 0 0 "[ . 1 . 2]" 2
212 1 33 LEU HB3 1 34 LYS H . . 3.600 2.376 2.083 2.746 . 0 0 "[ . 1 . 2]" 2
213 1 34 LYS H 1 34 LYS QB . . 3.000 2.260 2.119 2.459 . 0 0 "[ . 1 . 2]" 2
214 1 33 LEU HG 1 34 LYS H . . 4.420 3.306 2.892 3.758 . 0 0 "[ . 1 . 2]" 2
215 1 33 LEU HB2 1 34 LYS H . . 4.400 3.792 3.579 4.022 . 0 0 "[ . 1 . 2]" 2
216 1 33 LEU MD2 1 34 LYS H . . 4.560 3.896 3.585 4.338 . 0 0 "[ . 1 . 2]" 2
217 1 34 LYS H 1 37 LEU MD1 . . 4.950 4.190 3.905 4.924 . 0 0 "[ . 1 . 2]" 2
218 1 46 TYR H 1 46 TYR QD . . 3.490 2.385 2.111 2.662 . 0 0 "[ . 1 . 2]" 2
219 1 46 TYR H 1 46 TYR QE . . 4.710 4.322 4.020 4.554 . 0 0 "[ . 1 . 2]" 2
220 1 46 TYR H 1 58 ALA HA . . 4.660 3.999 3.421 4.585 . 0 0 "[ . 1 . 2]" 2
221 1 45 PRO HD3 1 46 TYR H . . 4.420 3.868 3.835 3.967 . 0 0 "[ . 1 . 2]" 2
222 1 46 TYR H 1 46 TYR HB3 . . 3.700 3.619 3.560 3.687 . 0 0 "[ . 1 . 2]" 2
223 1 46 TYR H 1 46 TYR HB2 . . 3.490 2.486 2.297 2.618 . 0 0 "[ . 1 . 2]" 2
224 1 46 TYR H 1 57 PHE HB2 . . 5.400 5.042 4.524 5.388 . 0 0 "[ . 1 . 2]" 2
225 1 45 PRO HG2 1 46 TYR H . . 4.550 2.559 2.013 3.120 . 0 0 "[ . 1 . 2]" 2
226 1 45 PRO HG3 1 46 TYR H . . 4.550 4.022 3.615 4.444 . 0 0 "[ . 1 . 2]" 2
227 1 45 PRO HD2 1 46 TYR H . . 3.880 2.702 2.647 2.883 . 0 0 "[ . 1 . 2]" 2
228 1 36 HIS H 1 37 LEU H . . 3.340 2.747 2.452 2.862 . 0 0 "[ . 1 . 2]" 2
229 1 33 LEU HA 1 36 HIS H . . 3.870 3.372 3.226 3.570 . 0 0 "[ . 1 . 2]" 2
230 1 36 HIS H 1 36 HIS HB3 . . 3.190 2.309 2.193 2.593 . 0 0 "[ . 1 . 2]" 2
231 1 36 HIS H 1 36 HIS HB2 . . 3.370 2.804 2.491 2.963 . 0 0 "[ . 1 . 2]" 2
232 1 35 ALA MB 1 36 HIS H . . 3.270 2.639 2.454 3.087 . 0 0 "[ . 1 . 2]" 2
233 1 33 LEU MD1 1 36 HIS H . . 4.490 4.245 3.855 4.489 . 0 0 "[ . 1 . 2]" 2
234 1 15 ILE H 1 16 HIS H . . 4.480 4.401 4.184 4.519 0.039 12 0 "[ . 1 . 2]" 2
235 1 14 ARG HA 1 15 ILE H . . 2.950 2.315 2.158 2.573 . 0 0 "[ . 1 . 2]" 2
236 1 14 ARG HB2 1 15 ILE H . . 5.270 3.561 2.374 4.641 . 0 0 "[ . 1 . 2]" 2
237 1 14 ARG HB3 1 15 ILE H . . 5.270 3.788 2.179 4.458 . 0 0 "[ . 1 . 2]" 2
238 1 15 ILE H 1 15 ILE HB . . 3.560 2.748 2.576 3.014 . 0 0 "[ . 1 . 2]" 2
239 1 14 ARG HG2 1 15 ILE H . . 4.850 3.854 1.967 4.838 . 0 0 "[ . 1 . 2]" 2
240 1 14 ARG HG3 1 15 ILE H . . 4.850 3.936 2.485 4.841 . 0 0 "[ . 1 . 2]" 2
241 1 15 ILE H 1 15 ILE MD . . 4.480 3.851 2.392 4.278 . 0 0 "[ . 1 . 2]" 2
242 1 15 ILE H 1 15 ILE MG . . 4.090 3.882 3.799 4.000 . 0 0 "[ . 1 . 2]" 2
243 1 95 MET QB 1 96 LYS H . . 3.820 2.479 2.299 2.633 . 0 0 "[ . 1 . 2]" 2
244 1 96 LYS H 1 96 LYS HG3 . . 3.700 2.982 1.901 3.730 0.030 3 0 "[ . 1 . 2]" 2
245 1 96 LYS H 1 96 LYS HG2 . . 3.700 2.584 1.893 3.689 . 0 0 "[ . 1 . 2]" 2
246 1 80 VAL H 1 81 CYS H . . 2.500 2.943 2.820 3.057 0.557 3 7 "[ + .* -1* *.* *]" 2
247 1 81 CYS H 1 98 HIS HE1 . . 3.980 3.224 2.756 3.961 . 0 0 "[ . 1 . 2]" 2
248 1 81 CYS H 1 82 ASN H . . 3.100 2.402 2.236 2.614 . 0 0 "[ . 1 . 2]" 2
249 1 81 CYS H 1 82 ASN HA . . 4.820 4.653 4.493 4.848 0.028 12 0 "[ . 1 . 2]" 2
250 1 81 CYS H 1 81 CYS HB2 . . 4.160 3.620 3.584 3.657 . 0 0 "[ . 1 . 2]" 2
251 1 78 CYS HB3 1 81 CYS H . . 4.010 3.417 3.167 3.759 . 0 0 "[ . 1 . 2]" 2
252 1 81 CYS H 1 81 CYS HB3 . . 3.760 2.542 2.414 2.661 . 0 0 "[ . 1 . 2]" 2
253 1 80 VAL HB 1 81 CYS H . . 3.170 2.120 1.943 2.356 . 0 0 "[ . 1 . 2]" 2
254 1 80 VAL MG2 1 81 CYS H . . 4.020 3.671 3.583 3.831 . 0 0 "[ . 1 . 2]" 2
255 1 80 VAL MG1 1 81 CYS H . . 3.850 2.898 2.509 3.126 . 0 0 "[ . 1 . 2]" 2
256 1 16 HIS HD2 1 29 LYS H . . 4.710 4.130 3.054 4.629 . 0 0 "[ . 1 . 2]" 2
257 1 28 THR HB 1 29 LYS H . . 4.440 3.144 2.260 4.407 . 0 0 "[ . 1 . 2]" 2
258 1 27 TYR HB3 1 29 LYS H . . 3.670 3.108 2.682 3.361 . 0 0 "[ . 1 . 2]" 2
259 1 27 TYR HB2 1 29 LYS H . . 4.290 3.804 2.732 4.288 . 0 0 "[ . 1 . 2]" 2
260 1 29 LYS H 1 29 LYS QG . . 4.090 3.223 2.587 3.946 . 0 0 "[ . 1 . 2]" 2
261 1 29 LYS H 1 29 LYS HB2 . . 3.820 2.408 2.218 2.694 . 0 0 "[ . 1 . 2]" 2
262 1 76 PHE H 1 85 PHE H . . 4.070 3.829 3.426 4.101 0.031 17 0 "[ . 1 . 2]" 2
263 1 85 PHE H 1 85 PHE QD . . 3.540 2.958 2.421 3.538 . 0 0 "[ . 1 . 2]" 2
264 1 84 SER HA 1 85 PHE H . . 3.100 2.258 2.138 2.334 . 0 0 "[ . 1 . 2]" 2
265 1 77 GLN HA 1 85 PHE H . . 4.450 4.027 3.557 4.390 . 0 0 "[ . 1 . 2]" 2
266 1 84 SER HB2 1 85 PHE H . . 3.960 3.233 2.645 4.015 0.055 12 0 "[ . 1 . 2]" 2
267 1 84 SER HB3 1 85 PHE H . . 3.960 3.586 2.611 3.997 0.037 19 0 "[ . 1 . 2]" 2
268 1 85 PHE H 1 85 PHE HB3 . . 4.190 3.874 3.789 3.988 . 0 0 "[ . 1 . 2]" 2
269 1 85 PHE H 1 85 PHE HB2 . . 3.760 2.821 2.665 3.040 . 0 0 "[ . 1 . 2]" 2
270 1 74 LYS QB 1 85 PHE H . . 4.480 3.313 2.258 4.451 . 0 0 "[ . 1 . 2]" 2
271 1 76 PHE H 1 76 PHE QD . . 3.630 3.214 2.665 3.495 . 0 0 "[ . 1 . 2]" 2
272 1 74 LYS HA 1 76 PHE H . . 4.590 3.699 2.981 4.173 . 0 0 "[ . 1 . 2]" 2
273 1 75 PRO HA 1 76 PHE H . . 3.510 3.420 3.292 3.536 0.026 20 0 "[ . 1 . 2]" 2
274 1 75 PRO QD 1 76 PHE H . . 3.750 2.739 2.601 2.959 . 0 0 "[ . 1 . 2]" 2
275 1 75 PRO HG2 1 76 PHE H . . 4.870 2.863 2.285 3.366 . 0 0 "[ . 1 . 2]" 2
276 1 74 LYS QB 1 76 PHE H . . 4.460 2.783 2.191 3.584 . 0 0 "[ . 1 . 2]" 2
277 1 90 HIS HA 1 93 LEU H . . 4.200 3.901 3.628 4.114 . 0 0 "[ . 1 . 2]" 2
278 1 89 ASP HA 1 93 LEU H . . 4.370 3.934 3.513 4.371 0.001 15 0 "[ . 1 . 2]" 2
279 1 93 LEU H 1 93 LEU HB2 . . 3.520 2.252 2.155 2.525 . 0 0 "[ . 1 . 2]" 2
280 1 93 LEU H 1 93 LEU HB3 . . 3.520 3.015 2.481 3.511 . 0 0 "[ . 1 . 2]" 2
281 1 92 ALA MB 1 93 LEU H . . 3.220 2.446 2.239 2.834 . 0 0 "[ . 1 . 2]" 2
282 1 93 LEU H 1 93 LEU MD1 . . 4.640 3.477 1.916 4.167 . 0 0 "[ . 1 . 2]" 2
283 1 67 TYR H 1 69 LYS H . . 4.870 4.431 4.226 4.689 . 0 0 "[ . 1 . 2]" 2
284 1 68 ARG HB3 1 69 LYS H . . 4.010 3.435 3.115 3.681 . 0 0 "[ . 1 . 2]" 2
285 1 68 ARG HB2 1 69 LYS H . . 4.010 2.572 2.375 2.828 . 0 0 "[ . 1 . 2]" 2
286 1 69 LYS H 1 69 LYS QB . . 3.000 2.430 2.243 2.600 . 0 0 "[ . 1 . 2]" 2
287 1 69 LYS H 1 69 LYS HG2 . . 4.040 3.217 1.900 4.050 0.010 11 0 "[ . 1 . 2]" 2
288 1 69 LYS H 1 69 LYS HG3 . . 4.040 2.712 1.982 3.590 . 0 0 "[ . 1 . 2]" 2
289 1 75 PRO HG3 1 76 PHE H . . 4.870 4.251 3.819 4.633 . 0 0 "[ . 1 . 2]" 2
290 1 66 HIS HA 1 69 LYS H . . 4.270 3.667 3.406 4.034 . 0 0 "[ . 1 . 2]" 2
291 1 55 TRP HA 1 56 ARG H . . 2.890 2.378 2.170 2.560 . 0 0 "[ . 1 . 2]" 2
292 1 55 TRP HB3 1 56 ARG H . . 4.410 2.574 2.113 3.235 . 0 0 "[ . 1 . 2]" 2
293 1 56 ARG H 1 56 ARG HG3 . . 4.460 3.271 2.853 3.705 . 0 0 "[ . 1 . 2]" 2
294 1 55 TRP HE3 1 56 ARG H . . 4.050 2.492 2.157 3.046 . 0 0 "[ . 1 . 2]" 2
295 1 55 TRP HB2 1 56 ARG H . . 4.410 3.899 3.559 4.306 . 0 0 "[ . 1 . 2]" 2
296 1 25 LYS H 1 26 VAL H . . 4.630 4.531 4.418 4.623 . 0 0 "[ . 1 . 2]" 2
297 1 25 LYS HA 1 26 VAL H . . 2.670 2.234 2.154 2.442 . 0 0 "[ . 1 . 2]" 2
298 1 25 LYS QE 1 26 VAL H . . 5.500 5.380 5.078 5.510 0.010 10 0 "[ . 1 . 2]" 2
299 1 26 VAL H 1 26 VAL HB . . 3.950 3.655 2.867 3.957 0.007 18 0 "[ . 1 . 2]" 2
300 1 25 LYS HD2 1 26 VAL H . . 4.080 3.779 3.533 4.054 . 0 0 "[ . 1 . 2]" 2
301 1 25 LYS HB2 1 26 VAL H . . 4.350 4.082 3.626 4.261 . 0 0 "[ . 1 . 2]" 2
302 1 25 LYS HD3 1 26 VAL H . . 4.080 3.747 3.063 4.073 . 0 0 "[ . 1 . 2]" 2
303 1 25 LYS HB3 1 26 VAL H . . 3.610 2.943 2.340 3.292 . 0 0 "[ . 1 . 2]" 2
304 1 26 VAL H 1 26 VAL MG1 . . 3.980 2.966 2.285 3.963 . 0 0 "[ . 1 . 2]" 2
305 1 49 THR H 1 50 TRP H . . 3.300 3.278 3.220 3.389 0.089 3 0 "[ . 1 . 2]" 2
306 1 49 THR H 1 67 TYR QD . . 4.830 3.653 2.721 4.255 . 0 0 "[ . 1 . 2]" 2
307 1 49 THR H 1 67 TYR QE . . 4.400 3.062 2.483 3.533 . 0 0 "[ . 1 . 2]" 2
308 1 48 CYS HA 1 49 THR H . . 3.220 2.144 2.138 2.162 . 0 0 "[ . 1 . 2]" 2
309 1 48 CYS HB2 1 49 THR H . . 4.880 4.387 4.190 4.471 . 0 0 "[ . 1 . 2]" 2
310 1 49 THR H 1 63 LEU MD1 . . 4.320 3.642 3.269 3.981 . 0 0 "[ . 1 . 2]" 2
311 1 86 SER HB2 1 87 ARG H . . 4.810 3.784 2.381 4.631 . 0 0 "[ . 1 . 2]" 2
312 1 85 PHE HB3 1 87 ARG H . . 3.430 3.123 2.467 3.414 . 0 0 "[ . 1 . 2]" 2
313 1 87 ARG H 1 90 HIS HB3 . . 4.910 4.589 4.078 4.910 . 0 0 "[ . 1 . 2]" 2
314 1 85 PHE HB2 1 87 ARG H . . 4.370 3.961 3.021 4.371 0.001 15 0 "[ . 1 . 2]" 2
315 1 87 ARG H 1 87 ARG HG2 . . 4.290 3.667 2.348 4.282 . 0 0 "[ . 1 . 2]" 2
316 1 87 ARG H 1 87 ARG HG3 . . 4.290 3.385 2.680 4.073 . 0 0 "[ . 1 . 2]" 2
317 1 87 ARG H 1 90 HIS HB2 . . 3.880 3.346 2.956 3.675 . 0 0 "[ . 1 . 2]" 2
318 1 79 GLY H 1 82 ASN H . . 5.000 3.570 3.334 3.833 . 0 0 "[ . 1 . 2]" 2
319 1 80 VAL HA 1 82 ASN H . . 5.500 4.408 3.956 4.679 . 0 0 "[ . 1 . 2]" 2
320 1 78 CYS HB3 1 82 ASN H . . 4.100 2.217 1.867 2.633 . 0 0 "[ . 1 . 2]" 2
321 1 82 ASN H 1 82 ASN HB2 . . 4.170 3.589 3.286 4.049 . 0 0 "[ . 1 . 2]" 2
322 1 82 ASN H 1 82 ASN HB3 . . 4.170 3.921 3.021 4.107 . 0 0 "[ . 1 . 2]" 2
323 1 78 CYS HB2 1 82 ASN H . . 4.770 3.949 3.507 4.373 . 0 0 "[ . 1 . 2]" 2
324 1 62 GLU H 1 64 THR H . . 4.630 4.461 4.081 4.630 . 0 0 "[ . 1 . 2]" 2
325 1 63 LEU H 1 64 THR H . . 3.300 2.784 2.561 2.956 . 0 0 "[ . 1 . 2]" 2
326 1 61 ASP HA 1 64 THR H . . 3.800 3.542 3.308 3.793 . 0 0 "[ . 1 . 2]" 2
327 1 64 THR H 1 64 THR HB . . 3.190 2.693 2.548 2.817 . 0 0 "[ . 1 . 2]" 2
328 1 60 SER HA 1 64 THR H . . 4.700 4.260 3.670 4.662 . 0 0 "[ . 1 . 2]" 2
329 1 63 LEU HB3 1 64 THR H . . 3.640 2.430 2.227 2.734 . 0 0 "[ . 1 . 2]" 2
330 1 64 THR H 1 65 ARG HB2 . . 5.500 5.246 4.931 5.495 . 0 0 "[ . 1 . 2]" 2
331 1 64 THR H 1 65 ARG HB3 . . 5.500 5.287 4.964 5.523 0.023 20 0 "[ . 1 . 2]" 2
332 1 63 LEU HG 1 64 THR H . . 4.330 3.219 2.895 3.805 . 0 0 "[ . 1 . 2]" 2
333 1 63 LEU HB2 1 64 THR H . . 4.210 3.842 3.710 3.990 . 0 0 "[ . 1 . 2]" 2
334 1 64 THR H 1 64 THR MG . . 3.910 3.766 3.742 3.787 . 0 0 "[ . 1 . 2]" 2
335 1 63 LEU MD2 1 64 THR H . . 4.560 3.864 3.520 4.437 . 0 0 "[ . 1 . 2]" 2
336 1 95 MET H 1 97 ARG H . . 4.820 4.376 3.968 4.694 . 0 0 "[ . 1 . 2]" 2
337 1 95 MET HA 1 97 ARG H . . 4.440 4.114 3.865 4.390 . 0 0 "[ . 1 . 2]" 2
338 1 96 LYS QD 1 97 ARG H . . 5.500 4.521 2.688 5.179 . 0 0 "[ . 1 . 2]" 2
339 1 97 ARG H 1 97 ARG HB2 . . 3.440 2.300 2.170 2.600 . 0 0 "[ . 1 . 2]" 2
340 1 97 ARG H 1 97 ARG HB3 . . 3.440 2.989 2.450 3.510 0.070 15 0 "[ . 1 . 2]" 2
341 1 83 ARG HB2 1 84 SER H . . 4.380 3.630 3.356 4.162 . 0 0 "[ . 1 . 2]" 2
342 1 83 ARG HG3 1 84 SER H . . 4.760 4.262 1.982 4.747 . 0 0 "[ . 1 . 2]" 2
343 1 83 ARG HA 1 84 SER H . . 2.950 2.530 2.219 2.681 . 0 0 "[ . 1 . 2]" 2
344 1 84 SER H 1 84 SER HB2 . . 4.100 3.372 2.690 3.801 . 0 0 "[ . 1 . 2]" 2
345 1 84 SER H 1 84 SER HB3 . . 4.100 3.297 2.479 3.898 . 0 0 "[ . 1 . 2]" 2
346 1 83 ARG HG2 1 84 SER H . . 4.760 3.339 1.862 4.096 . 0 0 "[ . 1 . 2]" 2
347 1 83 ARG HB3 1 84 SER H . . 4.380 2.359 1.987 4.082 . 0 0 "[ . 1 . 2]" 2
348 1 70 HIS H 1 70 HIS HD2 . . 3.000 3.487 3.121 3.792 0.792 14 10 "[ * *** **1 * +- *]" 2
349 1 68 ARG HA 1 70 HIS H . . 4.700 4.424 4.188 4.665 . 0 0 "[ . 1 . 2]" 2
350 1 70 HIS H 1 70 HIS HB2 . . 3.340 2.375 2.244 2.520 . 0 0 "[ . 1 . 2]" 2
351 1 69 LYS QB 1 70 HIS H . . 3.610 2.460 2.270 2.562 . 0 0 "[ . 1 . 2]" 2
352 1 70 HIS H 1 71 THR MG . . 4.550 4.438 4.263 4.534 . 0 0 "[ . 1 . 2]" 2
353 1 70 HIS H 1 70 HIS HB3 . . 3.830 3.573 3.530 3.605 . 0 0 "[ . 1 . 2]" 2
354 1 36 HIS HA 1 38 ARG H . . 5.000 4.147 3.827 4.419 . 0 0 "[ . 1 . 2]" 2
355 1 38 ARG H 1 39 THR MG . . 4.580 4.347 4.017 4.534 . 0 0 "[ . 1 . 2]" 2
356 1 98 HIS H 1 98 HIS HD2 . . 4.340 3.808 3.103 4.218 . 0 0 "[ . 1 . 2]" 2
357 1 95 MET HA 1 98 HIS H . . 3.930 3.417 3.093 3.828 . 0 0 "[ . 1 . 2]" 2
358 1 98 HIS H 1 98 HIS HB3 . . 3.670 3.555 3.522 3.616 . 0 0 "[ . 1 . 2]" 2
359 1 98 HIS H 1 98 HIS HB2 . . 3.300 2.323 2.226 2.638 . 0 0 "[ . 1 . 2]" 2
360 1 97 ARG HB2 1 98 HIS H . . 4.280 3.358 2.628 4.013 . 0 0 "[ . 1 . 2]" 2
361 1 97 ARG HB3 1 98 HIS H . . 4.280 2.726 2.276 3.166 . 0 0 "[ . 1 . 2]" 2
362 1 37 LEU H 1 38 ARG H . . 3.490 2.878 2.437 3.057 . 0 0 "[ . 1 . 2]" 2
363 1 36 HIS H 1 38 ARG H . . 4.720 4.192 3.762 4.396 . 0 0 "[ . 1 . 2]" 2
364 1 38 ARG H 1 38 ARG QD . . 4.520 3.828 3.324 4.169 . 0 0 "[ . 1 . 2]" 2
365 1 37 LEU HB2 1 38 ARG H . . 3.750 2.759 2.546 3.120 . 0 0 "[ . 1 . 2]" 2
366 1 38 ARG H 1 38 ARG HG3 . . 3.890 2.379 2.085 3.506 . 0 0 "[ . 1 . 2]" 2
367 1 46 TYR H 1 57 PHE H . . 4.140 3.794 2.989 4.145 0.005 16 0 "[ . 1 . 2]" 2
368 1 57 PHE H 1 57 PHE QD . . 3.520 3.010 2.397 3.519 . 0 0 "[ . 1 . 2]" 2
369 1 56 ARG HA 1 57 PHE H . . 3.120 2.436 2.281 2.598 . 0 0 "[ . 1 . 2]" 2
370 1 47 LYS HA 1 57 PHE H . . 4.560 3.631 3.171 4.074 . 0 0 "[ . 1 . 2]" 2
371 1 46 TYR HB3 1 57 PHE H . . 4.340 3.979 3.301 4.345 0.005 20 0 "[ . 1 . 2]" 2
372 1 46 TYR HB2 1 57 PHE H . . 4.310 2.898 2.446 3.283 . 0 0 "[ . 1 . 2]" 2
373 1 57 PHE H 1 57 PHE HB2 . . 3.840 2.885 2.751 3.045 . 0 0 "[ . 1 . 2]" 2
374 1 56 ARG HB2 1 57 PHE H . . 3.930 3.575 3.256 3.883 . 0 0 "[ . 1 . 2]" 2
375 1 56 ARG HB3 1 57 PHE H . . 3.930 2.378 2.045 2.748 . 0 0 "[ . 1 . 2]" 2
376 1 94 HIS H 1 95 MET H . . 3.330 2.694 2.307 2.993 . 0 0 "[ . 1 . 2]" 2
377 1 95 MET H 1 96 LYS H . . 3.300 2.965 2.660 3.161 . 0 0 "[ . 1 . 2]" 2
378 1 94 HIS HD2 1 95 MET H . . 4.210 3.162 2.715 4.083 . 0 0 "[ . 1 . 2]" 2
379 1 92 ALA HA 1 95 MET H . . 3.910 3.624 3.218 3.888 . 0 0 "[ . 1 . 2]" 2
380 1 94 HIS HB3 1 95 MET H . . 3.540 2.686 2.454 2.906 . 0 0 "[ . 1 . 2]" 2
381 1 95 MET H 1 95 MET HG2 . . 3.940 2.514 2.091 3.157 . 0 0 "[ . 1 . 2]" 2
382 1 95 MET H 1 95 MET HG3 . . 3.940 3.587 2.575 3.880 . 0 0 "[ . 1 . 2]" 2
383 1 94 HIS HB2 1 95 MET H . . 4.060 4.006 3.865 4.100 0.040 13 0 "[ . 1 . 2]" 2
384 1 95 MET H 1 95 MET QB . . 3.110 2.370 2.223 2.599 . 0 0 "[ . 1 . 2]" 2
385 1 91 LEU MD1 1 95 MET H . . 4.360 3.981 3.611 4.364 0.004 3 0 "[ . 1 . 2]" 2
386 1 67 TYR H 1 68 ARG H . . 3.430 2.803 2.634 3.030 . 0 0 "[ . 1 . 2]" 2
387 1 66 HIS HA 1 68 ARG H . . 4.720 4.389 4.003 4.657 . 0 0 "[ . 1 . 2]" 2
388 1 65 ARG HA 1 68 ARG H . . 4.220 3.678 3.434 4.002 . 0 0 "[ . 1 . 2]" 2
389 1 67 TYR HB3 1 68 ARG H . . 3.730 2.556 2.331 2.813 . 0 0 "[ . 1 . 2]" 2
390 1 68 ARG H 1 68 ARG HB2 . . 3.240 2.469 2.316 2.694 . 0 0 "[ . 1 . 2]" 2
391 1 68 ARG H 1 68 ARG HG3 . . 3.950 2.644 2.217 3.344 . 0 0 "[ . 1 . 2]" 2
392 1 68 ARG H 1 70 HIS H . . 4.530 4.473 4.316 4.533 0.003 19 0 "[ . 1 . 2]" 2
393 1 67 TYR HB2 1 68 ARG H . . 4.130 3.627 3.485 3.837 . 0 0 "[ . 1 . 2]" 2
394 1 51 GLU HA 1 52 GLY H . . 3.180 2.150 2.142 2.172 . 0 0 "[ . 1 . 2]" 2
395 1 51 GLU QG 1 52 GLY H . . 4.380 3.464 2.777 4.291 . 0 0 "[ . 1 . 2]" 2
396 1 51 GLU HB2 1 52 GLY H . . 4.560 4.306 3.308 4.512 . 0 0 "[ . 1 . 2]" 2
397 1 51 GLU HB3 1 52 GLY H . . 4.560 4.058 3.362 4.360 . 0 0 "[ . 1 . 2]" 2
398 1 58 ALA H 1 59 ARG H . . 3.680 2.340 1.827 2.783 . 0 0 "[ . 1 . 2]" 2
399 1 57 PHE QD 1 59 ARG H . . 5.280 4.802 4.507 5.193 . 0 0 "[ . 1 . 2]" 2
400 1 46 TYR QD 1 59 ARG H . . 4.670 4.389 3.872 4.669 . 0 0 "[ . 1 . 2]" 2
401 1 59 ARG H 1 62 GLU H . . 4.690 4.499 4.142 4.695 0.005 6 0 "[ . 1 . 2]" 2
402 1 46 TYR QE 1 59 ARG H . . 5.500 5.154 4.650 5.465 . 0 0 "[ . 1 . 2]" 2
403 1 59 ARG H 1 63 LEU H . . 5.500 4.890 4.390 5.258 . 0 0 "[ . 1 . 2]" 2
404 1 57 PHE HB3 1 59 ARG H . . 3.550 3.071 2.725 3.336 . 0 0 "[ . 1 . 2]" 2
405 1 57 PHE HB2 1 59 ARG H . . 4.190 3.988 3.632 4.179 . 0 0 "[ . 1 . 2]" 2
406 1 59 ARG H 1 62 GLU HB2 . . 3.920 3.165 3.011 3.380 . 0 0 "[ . 1 . 2]" 2
407 1 59 ARG H 1 59 ARG HB3 . . 4.150 3.601 3.503 3.716 . 0 0 "[ . 1 . 2]" 2
408 1 59 ARG H 1 62 GLU HB3 . . 4.620 4.403 4.184 4.615 . 0 0 "[ . 1 . 2]" 2
409 1 58 ALA MB 1 59 ARG H . . 3.340 2.599 2.365 2.987 . 0 0 "[ . 1 . 2]" 2
410 1 59 ARG H 1 59 ARG HB2 . . 3.370 2.378 2.225 2.542 . 0 0 "[ . 1 . 2]" 2
411 1 50 TRP H 1 67 TYR QE . . 4.130 3.810 3.332 4.105 . 0 0 "[ . 1 . 2]" 2
412 1 48 CYS HA 1 50 TRP H . . 4.470 3.976 3.899 4.058 . 0 0 "[ . 1 . 2]" 2
413 1 50 TRP H 1 50 TRP HE3 . . 5.010 4.826 4.474 5.033 0.023 14 0 "[ . 1 . 2]" 2
414 1 50 TRP H 1 50 TRP HD1 . . 5.320 5.057 4.885 5.281 . 0 0 "[ . 1 . 2]" 2
415 1 50 TRP H 1 50 TRP HB2 . . 3.790 2.785 2.606 2.939 . 0 0 "[ . 1 . 2]" 2
416 1 19 ASP H 1 20 TYR H . . 3.260 3.131 2.976 3.227 . 0 0 "[ . 1 . 2]" 2
417 1 20 TYR H 1 20 TYR QD . . 4.500 4.328 4.260 4.363 . 0 0 "[ . 1 . 2]" 2
418 1 18 CYS HA 1 20 TYR H . . 4.120 3.943 3.847 4.040 . 0 0 "[ . 1 . 2]" 2
419 1 20 TYR H 1 23 CYS HB3 . . 4.360 3.796 3.339 4.228 . 0 0 "[ . 1 . 2]" 2
420 1 20 TYR H 1 20 TYR QB . . 2.960 2.494 2.434 2.521 . 0 0 "[ . 1 . 2]" 2
421 1 20 TYR H 1 37 LEU MD2 . . 4.500 4.609 4.501 4.691 0.191 16 0 "[ . 1 . 2]" 2
422 1 51 GLU H 1 51 GLU QG . . 4.210 3.448 1.968 4.035 . 0 0 "[ . 1 . 2]" 2
423 1 50 TRP HD1 1 51 GLU H . . 4.700 3.324 2.558 4.121 . 0 0 "[ . 1 . 2]" 2
424 1 51 GLU H 1 51 GLU HB2 . . 3.610 2.531 2.246 3.592 . 0 0 "[ . 1 . 2]" 2
425 1 78 CYS H 1 83 ARG H . . 4.480 2.889 2.574 3.108 . 0 0 "[ . 1 . 2]" 2
426 1 78 CYS H 1 85 PHE QE . . 4.570 3.339 2.621 4.178 . 0 0 "[ . 1 . 2]" 2
427 1 78 CYS H 1 84 SER HA . . 3.970 3.823 3.327 4.043 0.073 12 0 "[ . 1 . 2]" 2
428 1 77 GLN HA 1 78 CYS H . . 3.040 2.170 2.140 2.283 . 0 0 "[ . 1 . 2]" 2
429 1 78 CYS H 1 78 CYS HB3 . . 3.350 2.850 2.769 2.967 . 0 0 "[ . 1 . 2]" 2
430 1 78 CYS H 1 78 CYS HB2 . . 3.390 2.291 2.177 2.468 . 0 0 "[ . 1 . 2]" 2
431 1 77 GLN HG2 1 78 CYS H . . 4.230 3.136 2.327 4.215 . 0 0 "[ . 1 . 2]" 2
432 1 77 GLN HB2 1 78 CYS H . . 4.580 4.236 3.979 4.458 . 0 0 "[ . 1 . 2]" 2
433 1 78 CYS H 1 91 LEU MD1 . . 4.000 3.525 2.935 3.930 . 0 0 "[ . 1 . 2]" 2
434 1 38 ARG H 1 39 THR H . . 3.380 2.957 2.556 3.177 . 0 0 "[ . 1 . 2]" 2
435 1 36 HIS HA 1 39 THR H . . 4.420 3.707 3.374 4.020 . 0 0 "[ . 1 . 2]" 2
436 1 39 THR H 1 39 THR HB . . 4.080 3.628 3.616 3.651 . 0 0 "[ . 1 . 2]" 2
437 1 37 LEU HA 1 39 THR H . . 4.540 4.180 3.718 4.475 . 0 0 "[ . 1 . 2]" 2
438 1 38 ARG HB2 1 39 THR H . . 4.450 2.540 2.283 2.851 . 0 0 "[ . 1 . 2]" 2
439 1 38 ARG HB3 1 39 THR H . . 4.450 3.504 3.235 3.765 . 0 0 "[ . 1 . 2]" 2
440 1 39 THR H 1 39 THR MG . . 3.160 2.114 1.885 2.344 . 0 0 "[ . 1 . 2]" 2
441 1 78 CYS H 1 85 PHE QD . . 4.790 3.920 3.418 4.401 . 0 0 "[ . 1 . 2]" 2
442 1 77 GLN HG3 1 78 CYS H . . 4.230 3.216 2.236 4.048 . 0 0 "[ . 1 . 2]" 2
443 1 77 GLN HB3 1 78 CYS H . . 4.580 4.125 3.806 4.394 . 0 0 "[ . 1 . 2]" 2
444 1 47 LYS H 1 48 CYS H . . 4.880 4.425 4.197 4.490 . 0 0 "[ . 1 . 2]" 2
445 1 48 CYS H 1 56 ARG HA . . 4.060 3.172 2.946 3.491 . 0 0 "[ . 1 . 2]" 2
446 1 47 LYS HB2 1 48 CYS H . . 4.420 3.506 2.469 4.340 . 0 0 "[ . 1 . 2]" 2
447 1 47 LYS HB3 1 48 CYS H . . 4.420 4.040 3.863 4.319 . 0 0 "[ . 1 . 2]" 2
448 1 47 LYS HG2 1 48 CYS H . . 4.570 3.593 2.292 4.630 0.060 16 0 "[ . 1 . 2]" 2
449 1 47 LYS HG3 1 48 CYS H . . 4.570 3.647 2.452 4.521 . 0 0 "[ . 1 . 2]" 2
450 1 48 CYS H 1 56 ARG HG3 . . 5.120 4.291 3.187 4.751 . 0 0 "[ . 1 . 2]" 2
451 1 70 HIS HB2 1 71 THR H . . 4.730 2.583 2.302 3.003 . 0 0 "[ . 1 . 2]" 2
452 1 18 CYS QB 1 19 ASP H . . 4.810 3.743 3.597 3.839 . 0 0 "[ . 1 . 2]" 2
453 1 19 ASP H 1 33 LEU MD1 . . 4.430 3.760 3.201 4.269 . 0 0 "[ . 1 . 2]" 2
454 1 16 HIS HA 1 17 TYR H . . 2.890 2.169 2.139 2.236 . 0 0 "[ . 1 . 2]" 2
455 1 18 CYS H 1 26 VAL HA . . 4.040 3.028 2.460 3.568 . 0 0 "[ . 1 . 2]" 2
456 1 18 CYS H 1 27 TYR H . . 5.500 4.716 4.266 5.299 . 0 0 "[ . 1 . 2]" 2
457 1 23 CYS H 1 24 THR MG . . 4.960 4.689 4.464 4.959 . 0 0 "[ . 1 . 2]" 2
458 1 24 THR H 1 25 LYS H . . 3.550 2.701 1.898 3.161 . 0 0 "[ . 1 . 2]" 2
459 1 35 ALA H 1 36 HIS H . . 3.210 2.762 2.628 2.967 . 0 0 "[ . 1 . 2]" 2
460 1 65 ARG H 1 65 ARG HG3 . . 4.790 4.396 4.207 4.551 . 0 0 "[ . 1 . 2]" 2
461 1 67 TYR H 1 67 TYR HB3 . . 3.430 2.861 2.687 2.942 . 0 0 "[ . 1 . 2]" 2
462 1 68 ARG H 1 69 LYS H . . 3.260 2.912 2.662 3.138 . 0 0 "[ . 1 . 2]" 2
463 1 69 LYS H 1 70 HIS H . . 3.140 2.890 2.665 3.062 . 0 0 "[ . 1 . 2]" 2
464 1 70 HIS H 1 71 THR H . . 3.590 2.862 2.536 3.244 . 0 0 "[ . 1 . 2]" 2
465 1 90 HIS H 1 91 LEU H . . 3.140 2.801 2.529 2.970 . 0 0 "[ . 1 . 2]" 2
466 1 92 ALA H 1 93 LEU H . . 3.300 2.928 2.743 3.160 . 0 0 "[ . 1 . 2]" 2
467 1 94 HIS H 1 94 HIS HB3 . . 3.020 2.311 2.194 2.459 . 0 0 "[ . 1 . 2]" 2
468 1 96 LYS H 1 97 ARG H . . 3.110 2.922 2.612 3.087 . 0 0 "[ . 1 . 2]" 2
469 1 97 ARG H 1 98 HIS H . . 3.140 2.813 2.669 3.044 . 0 0 "[ . 1 . 2]" 2
470 1 98 HIS H 1 99 GLN H . . 3.930 2.830 2.385 3.110 . 0 0 "[ . 1 . 2]" 2
471 1 48 CYS HB3 1 55 TRP H . . 4.380 3.252 2.576 3.706 . 0 0 "[ . 1 . 2]" 2
472 1 95 MET ME 1 98 HIS HD2 . . 4.060 3.050 1.863 3.988 . 0 0 "[ . 1 . 2]" 2
473 1 80 VAL MG2 1 95 MET ME . . 3.690 3.532 2.959 3.690 0.000 3 0 "[ . 1 . 2]" 2
474 1 7 GLY QA 1 8 PRO HD3 . . 3.230 2.467 2.236 2.991 . 0 0 "[ . 1 . 2]" 2
475 1 85 PHE HB3 1 90 HIS HB2 . . 4.020 2.908 2.350 3.333 . 0 0 "[ . 1 . 2]" 2
476 1 85 PHE HB3 1 91 LEU HB2 . . 4.840 4.069 3.433 4.724 . 0 0 "[ . 1 . 2]" 2
477 1 85 PHE HB2 1 90 HIS HB2 . . 4.680 4.000 3.428 4.499 . 0 0 "[ . 1 . 2]" 2
478 1 76 PHE HB3 1 85 PHE HB2 . . 4.300 3.395 2.464 4.178 . 0 0 "[ . 1 . 2]" 2
479 1 85 PHE HB3 1 90 HIS HB3 . . 4.310 3.275 2.755 4.030 . 0 0 "[ . 1 . 2]" 2
480 1 15 ILE HA 1 15 ILE MD . . 3.910 3.124 1.976 3.930 0.020 11 0 "[ . 1 . 2]" 2
481 1 15 ILE HB 1 15 ILE MD . . 3.410 2.690 2.099 3.231 . 0 0 "[ . 1 . 2]" 2
482 1 65 ARG HA 1 68 ARG QD . . 4.260 3.329 2.055 4.251 . 0 0 "[ . 1 . 2]" 2
483 1 68 ARG H 1 68 ARG QD . . 4.610 3.968 3.310 4.472 . 0 0 "[ . 1 . 2]" 2
484 1 68 ARG HA 1 68 ARG QD . . 4.080 3.650 2.219 4.092 0.012 2 0 "[ . 1 . 2]" 2
485 1 68 ARG HB3 1 68 ARG QD . . 3.290 2.393 2.080 2.962 . 0 0 "[ . 1 . 2]" 2
486 1 59 ARG HB3 1 59 ARG HD2 . . 4.160 3.098 2.164 3.893 . 0 0 "[ . 1 . 2]" 2
487 1 59 ARG HB3 1 59 ARG HD3 . . 4.160 3.090 2.603 3.727 . 0 0 "[ . 1 . 2]" 2
488 1 35 ALA HA 1 38 ARG QD . . 3.900 2.849 1.989 3.384 . 0 0 "[ . 1 . 2]" 2
489 1 14 ARG HA 1 14 ARG QD . . 4.350 3.833 2.434 4.347 . 0 0 "[ . 1 . 2]" 2
490 1 97 ARG HA 1 97 ARG HD2 . . 4.440 3.263 1.999 4.466 0.026 18 0 "[ . 1 . 2]" 2
491 1 97 ARG HA 1 97 ARG HD3 . . 4.440 3.386 2.008 4.493 0.053 18 0 "[ . 1 . 2]" 2
492 1 44 LYS HE2 1 58 ALA MB . . 5.500 4.211 2.535 5.494 . 0 0 "[ . 1 . 2]" 2
493 1 44 LYS HE3 1 58 ALA MB . . 5.500 4.272 2.430 5.422 . 0 0 "[ . 1 . 2]" 2
494 1 25 LYS QE 1 36 HIS HE1 . . 4.550 4.111 2.568 4.550 . 0 0 "[ . 1 . 2]" 2
495 1 25 LYS QE 1 25 LYS HG2 . . 3.540 2.710 2.459 3.063 . 0 0 "[ . 1 . 2]" 2
496 1 47 LYS QE 1 47 LYS HG2 . . 3.690 2.666 2.065 3.484 . 0 0 "[ . 1 . 2]" 2
497 1 47 LYS QE 1 47 LYS HG3 . . 3.690 2.701 2.186 3.452 . 0 0 "[ . 1 . 2]" 2
498 1 25 LYS HA 1 25 LYS QE . . 4.400 4.238 3.844 4.384 . 0 0 "[ . 1 . 2]" 2
499 1 25 LYS QE 1 25 LYS HG3 . . 3.540 2.281 2.099 2.614 . 0 0 "[ . 1 . 2]" 2
500 1 34 LYS QB 1 34 LYS QE . . 4.250 2.993 2.047 3.798 . 0 0 "[ . 1 . 2]" 2
501 1 29 LYS QE 1 29 LYS QG . . 3.280 2.233 2.014 2.528 . 0 0 "[ . 1 . 2]" 2
502 1 29 LYS QE 1 32 HIS HE1 . . 4.620 3.478 2.036 4.583 . 0 0 "[ . 1 . 2]" 2
503 1 66 HIS HA 1 69 LYS QE . . 4.820 3.757 2.346 4.794 . 0 0 "[ . 1 . 2]" 2
504 1 90 HIS HA 1 93 LEU HB3 . . 4.440 3.656 2.821 4.447 0.007 11 0 "[ . 1 . 2]" 2
505 1 37 LEU HB3 1 38 ARG H . . 4.630 3.406 3.191 3.718 . 0 0 "[ . 1 . 2]" 2
506 1 34 LYS HA 1 37 LEU HB3 . . 4.500 4.395 4.161 4.515 0.015 16 0 "[ . 1 . 2]" 2
507 1 85 PHE HB2 1 91 LEU HB2 . . 4.580 3.029 2.750 3.453 . 0 0 "[ . 1 . 2]" 2
508 1 17 TYR H 1 17 TYR HB3 . . 3.970 3.643 3.497 3.771 . 0 0 "[ . 1 . 2]" 2
509 1 57 PHE QD 1 63 LEU HB3 . . 4.780 4.129 3.773 4.540 . 0 0 "[ . 1 . 2]" 2
510 1 57 PHE QD 1 63 LEU HB2 . . 4.410 2.450 2.044 2.923 . 0 0 "[ . 1 . 2]" 2
511 1 15 ILE HB 1 16 HIS H . . 4.270 3.919 3.398 4.181 . 0 0 "[ . 1 . 2]" 2
512 1 76 PHE HB2 1 85 PHE HB2 . . 4.300 2.674 2.069 3.401 . 0 0 "[ . 1 . 2]" 2
513 1 76 PHE HB2 1 91 LEU HB2 . . 4.820 3.781 3.333 4.243 . 0 0 "[ . 1 . 2]" 2
514 1 76 PHE HB3 1 91 LEU HB2 . . 4.820 2.916 2.483 3.400 . 0 0 "[ . 1 . 2]" 2
515 1 76 PHE HB3 1 91 LEU MD2 . . 4.050 2.161 1.985 2.641 . 0 0 "[ . 1 . 2]" 2
516 1 66 HIS HD2 1 67 TYR HB2 . . 5.120 3.691 3.370 4.333 . 0 0 "[ . 1 . 2]" 2
517 1 46 TYR HB2 1 63 LEU MD2 . . 4.300 3.561 3.232 4.065 . 0 0 "[ . 1 . 2]" 2
518 1 62 GLU HA 1 62 GLU HG2 . . 3.870 2.737 2.296 3.079 . 0 0 "[ . 1 . 2]" 2
519 1 59 ARG HB2 1 62 GLU HG3 . . 4.360 2.481 1.997 3.129 . 0 0 "[ . 1 . 2]" 2
520 1 62 GLU H 1 62 GLU HG3 . . 3.940 3.308 2.243 3.937 . 0 0 "[ . 1 . 2]" 2
521 1 43 GLU HA 1 43 GLU HG2 . . 4.200 3.331 2.336 4.205 0.005 14 0 "[ . 1 . 2]" 2
522 1 43 GLU HA 1 43 GLU HG3 . . 4.200 3.381 2.451 3.942 . 0 0 "[ . 1 . 2]" 2
523 1 64 THR HA 1 67 TYR H . . 4.580 3.668 3.373 3.988 . 0 0 "[ . 1 . 2]" 2
524 1 64 THR HA 1 67 TYR QD . . 5.000 4.728 4.446 4.980 . 0 0 "[ . 1 . 2]" 2
525 1 64 THR HA 1 67 TYR HB3 . . 3.920 3.246 2.869 3.584 . 0 0 "[ . 1 . 2]" 2
526 1 64 THR HA 1 67 TYR HB2 . . 4.270 3.239 2.890 3.740 . 0 0 "[ . 1 . 2]" 2
527 1 74 LYS QB 1 84 SER HB2 . . 3.980 2.907 2.023 3.821 . 0 0 "[ . 1 . 2]" 2
528 1 74 LYS QB 1 84 SER HB3 . . 3.980 2.957 1.928 3.976 . 0 0 "[ . 1 . 2]" 2
529 1 17 TYR HA 1 26 VAL HB . . 4.840 3.252 2.470 4.759 . 0 0 "[ . 1 . 2]" 2
530 1 59 ARG HB2 1 62 GLU HG2 . . 4.360 2.722 2.064 4.108 . 0 0 "[ . 1 . 2]" 2
531 1 17 TYR QD 1 26 VAL HB . . 4.530 3.478 2.651 4.529 . 0 0 "[ . 1 . 2]" 2
532 1 47 LYS HA 1 56 ARG HB2 . . 4.640 4.519 4.319 4.637 . 0 0 "[ . 1 . 2]" 2
533 1 44 LYS HB3 1 56 ARG HB2 . . 4.450 3.152 2.527 3.676 . 0 0 "[ . 1 . 2]" 2
534 1 44 LYS HB3 1 56 ARG HB3 . . 4.450 2.247 1.998 2.604 . 0 0 "[ . 1 . 2]" 2
535 1 77 GLN HA 1 77 GLN HG2 . . 4.250 3.097 2.581 3.799 . 0 0 "[ . 1 . 2]" 2
536 1 77 GLN HG3 1 82 ASN HA . . 4.540 3.780 2.746 4.540 . 0 0 "[ . 1 . 2]" 2
537 1 44 LYS HB2 1 56 ARG HB2 . . 4.450 3.209 2.461 4.129 . 0 0 "[ . 1 . 2]" 2
538 1 44 LYS HB2 1 56 ARG HB3 . . 4.450 2.993 2.350 3.829 . 0 0 "[ . 1 . 2]" 2
539 1 80 VAL HA 1 80 VAL MG1 . . 3.150 2.405 2.276 2.502 . 0 0 "[ . 1 . 2]" 2
540 1 21 PRO HA 1 22 GLY H . . 3.360 2.182 2.155 2.356 . 0 0 "[ . 1 . 2]" 2
541 1 86 SER HB3 1 87 ARG H . . 4.810 3.429 2.355 4.668 . 0 0 "[ . 1 . 2]" 2
542 1 80 VAL HB 1 98 HIS HD2 . . 4.820 3.453 2.933 3.860 . 0 0 "[ . 1 . 2]" 2
543 1 74 LYS QB 1 75 PRO QD . . 4.000 2.788 1.969 3.796 . 0 0 "[ . 1 . 2]" 2
544 1 25 LYS HB2 1 27 TYR QE . . 4.520 3.666 3.040 4.280 . 0 0 "[ . 1 . 2]" 2
545 1 81 CYS HB2 1 98 HIS HE1 . . 4.010 3.774 3.455 4.004 . 0 0 "[ . 1 . 2]" 2
546 1 81 CYS HB3 1 82 ASN H . . 4.640 4.031 3.865 4.216 . 0 0 "[ . 1 . 2]" 2
547 1 81 CYS HB2 1 82 ASN H . . 4.350 4.115 3.966 4.295 . 0 0 "[ . 1 . 2]" 2
548 1 50 TRP HD1 1 53 CYS HB2 . . 4.540 2.726 2.011 3.543 . 0 0 "[ . 1 . 2]" 2
549 1 50 TRP HB2 1 53 CYS HB2 . . 4.420 4.114 3.504 4.420 . 0 0 "[ . 1 . 2]" 2
550 1 91 LEU HG 1 95 MET HG2 . . 4.700 3.319 2.453 4.119 . 0 0 "[ . 1 . 2]" 2
551 1 27 TYR HB3 1 32 HIS HB3 . . 4.370 3.396 2.920 3.884 . 0 0 "[ . 1 . 2]" 2
552 1 91 LEU HG 1 95 MET HG3 . . 4.700 3.714 2.795 4.584 . 0 0 "[ . 1 . 2]" 2
553 1 48 CYS HA 1 66 HIS HD2 . . 4.650 4.309 3.892 4.627 . 0 0 "[ . 1 . 2]" 2
554 1 48 CYS HA 1 67 TYR QD . . 4.860 3.476 2.991 3.917 . 0 0 "[ . 1 . 2]" 2
555 1 83 ARG HB3 1 85 PHE QE . . 4.620 3.329 2.241 4.154 . 0 0 "[ . 1 . 2]" 2
556 1 83 ARG HB3 1 85 PHE HZ . . 5.020 3.579 2.530 4.394 . 0 0 "[ . 1 . 2]" 2
557 1 46 TYR QE 1 60 SER HB2 . . 4.540 3.387 2.479 4.484 . 0 0 "[ . 1 . 2]" 2
558 1 46 TYR QE 1 60 SER HB3 . . 4.540 3.486 2.129 4.321 . 0 0 "[ . 1 . 2]" 2
559 1 20 TYR QD 1 23 CYS HB3 . . 4.470 3.196 2.582 3.984 . 0 0 "[ . 1 . 2]" 2
560 1 20 TYR QD 1 23 CYS HB2 . . 4.360 2.820 2.206 3.678 . 0 0 "[ . 1 . 2]" 2
561 1 18 CYS HA 1 19 ASP H . . 3.000 2.155 2.138 2.204 . 0 0 "[ . 1 . 2]" 2
562 1 18 CYS HA 1 37 LEU MD2 . . 4.250 3.911 3.488 4.250 . 0 0 "[ . 1 . 2]" 2
563 1 18 CYS HA 1 33 LEU MD2 . . 4.170 3.432 2.761 4.032 . 0 0 "[ . 1 . 2]" 2
564 1 67 TYR HA 1 67 TYR QD . . 3.530 2.760 2.372 3.119 . 0 0 "[ . 1 . 2]" 2
565 1 66 HIS HD2 1 67 TYR HA . . 3.890 3.085 2.480 3.830 . 0 0 "[ . 1 . 2]" 2
566 1 67 TYR HA 1 70 HIS H . . 4.290 3.473 3.160 3.793 . 0 0 "[ . 1 . 2]" 2
567 1 67 TYR HA 1 70 HIS HD2 . . 3.190 2.214 2.002 2.453 . 0 0 "[ . 1 . 2]" 2
568 1 48 CYS H 1 48 CYS HB3 . . 3.410 2.602 2.399 2.881 . 0 0 "[ . 1 . 2]" 2
569 1 48 CYS HB3 1 66 HIS HD2 . . 5.120 4.494 4.048 4.994 . 0 0 "[ . 1 . 2]" 2
570 1 48 CYS HB3 1 57 PHE QE . . 5.250 4.676 4.090 5.162 . 0 0 "[ . 1 . 2]" 2
571 1 48 CYS HB3 1 63 LEU MD1 . . 4.460 3.947 3.561 4.242 . 0 0 "[ . 1 . 2]" 2
572 1 18 CYS QB 1 36 HIS HD2 . . 3.830 3.257 2.778 3.626 . 0 0 "[ . 1 . 2]" 2
573 1 18 CYS QB 1 25 LYS HB2 . . 4.520 3.219 2.337 3.757 . 0 0 "[ . 1 . 2]" 2
574 1 48 CYS H 1 48 CYS HB2 . . 3.520 2.514 2.221 2.778 . 0 0 "[ . 1 . 2]" 2
575 1 48 CYS HB2 1 66 HIS HD2 . . 4.260 3.105 2.477 3.637 . 0 0 "[ . 1 . 2]" 2
576 1 48 CYS HB2 1 57 PHE QE . . 4.570 3.102 2.599 3.620 . 0 0 "[ . 1 . 2]" 2
577 1 18 CYS QB 1 27 TYR QE . . 5.020 4.197 3.701 4.712 . 0 0 "[ . 1 . 2]" 2
578 1 57 PHE HB3 1 62 GLU HB2 . . 3.990 2.535 2.031 3.114 . 0 0 "[ . 1 . 2]" 2
579 1 59 ARG HB2 1 62 GLU HB2 . . 4.610 3.017 2.353 3.600 . 0 0 "[ . 1 . 2]" 2
580 1 57 PHE HB3 1 62 GLU HB3 . . 4.020 2.880 2.229 3.340 . 0 0 "[ . 1 . 2]" 2
581 1 57 PHE QE 1 62 GLU HB3 . . 4.610 3.930 3.432 4.499 . 0 0 "[ . 1 . 2]" 2
582 1 31 SER HA 1 34 LYS QB . . 3.600 3.161 2.730 3.592 . 0 0 "[ . 1 . 2]" 2
583 1 57 PHE HB2 1 62 GLU HB2 . . 4.640 3.418 2.579 4.322 . 0 0 "[ . 1 . 2]" 2
584 1 57 PHE QD 1 62 GLU HB2 . . 4.520 3.538 2.931 4.272 . 0 0 "[ . 1 . 2]" 2
585 1 57 PHE HB2 1 62 GLU HB3 . . 4.840 4.032 3.390 4.504 . 0 0 "[ . 1 . 2]" 2
586 1 57 PHE QD 1 62 GLU HB3 . . 4.150 2.609 2.029 3.654 . 0 0 "[ . 1 . 2]" 2
587 1 60 SER HA 1 63 LEU HB3 . . 3.910 3.130 2.872 3.472 . 0 0 "[ . 1 . 2]" 2
588 1 60 SER HA 1 63 LEU HB2 . . 4.410 4.148 3.797 4.408 . 0 0 "[ . 1 . 2]" 2
589 1 50 TRP HB2 1 53 CYS HB3 . . 4.420 3.557 3.290 3.774 . 0 0 "[ . 1 . 2]" 2
590 1 50 TRP H 1 50 TRP HB3 . . 3.790 2.685 2.542 2.871 . 0 0 "[ . 1 . 2]" 2
591 1 50 TRP HB3 1 67 TYR QE . . 4.890 4.542 3.779 4.864 . 0 0 "[ . 1 . 2]" 2
592 1 50 TRP HB3 1 53 CYS HB2 . . 4.420 2.610 2.005 2.918 . 0 0 "[ . 1 . 2]" 2
593 1 50 TRP HB3 1 53 CYS HB3 . . 4.420 2.064 1.988 2.274 . 0 0 "[ . 1 . 2]" 2
594 1 38 ARG H 1 38 ARG HB2 . . 3.920 2.561 2.388 2.731 . 0 0 "[ . 1 . 2]" 2
595 1 38 ARG H 1 38 ARG HB3 . . 3.920 3.603 3.578 3.623 . 0 0 "[ . 1 . 2]" 2
596 1 68 ARG H 1 68 ARG HB3 . . 3.740 3.588 3.556 3.613 . 0 0 "[ . 1 . 2]" 2
597 1 88 SER HA 1 91 LEU HB3 . . 3.830 3.105 2.838 3.474 . 0 0 "[ . 1 . 2]" 2
598 1 88 SER HA 1 91 LEU MD2 . . 5.070 3.699 3.414 4.078 . 0 0 "[ . 1 . 2]" 2
599 1 78 CYS HB3 1 94 HIS HD2 . . 5.360 4.978 4.716 5.282 . 0 0 "[ . 1 . 2]" 2
600 1 78 CYS HB3 1 91 LEU MD1 . . 4.510 4.285 3.773 4.508 . 0 0 "[ . 1 . 2]" 2
601 1 78 CYS HB2 1 94 HIS HD2 . . 4.110 4.047 3.894 4.108 . 0 0 "[ . 1 . 2]" 2
602 1 78 CYS HB2 1 85 PHE QE . . 4.190 2.305 1.999 3.208 . 0 0 "[ . 1 . 2]" 2
603 1 88 SER HA 1 91 LEU HB2 . . 4.420 3.903 3.457 4.350 . 0 0 "[ . 1 . 2]" 2
604 1 78 CYS HB3 1 85 PHE QE . . 4.640 3.895 3.447 4.401 . 0 0 "[ . 1 . 2]" 2
605 1 77 GLN HA 1 78 CYS HB3 . . 5.170 4.984 4.848 5.118 . 0 0 "[ . 1 . 2]" 2
606 1 55 TRP HA 1 55 TRP HE3 . . 4.500 2.799 2.192 3.470 . 0 0 "[ . 1 . 2]" 2
607 1 23 CYS HA 1 25 LYS H . . 4.130 3.998 3.727 4.138 0.008 13 0 "[ . 1 . 2]" 2
608 1 23 CYS HA 1 24 THR H . . 3.150 2.179 2.139 2.258 . 0 0 "[ . 1 . 2]" 2
609 1 23 CYS HA 1 24 THR MG . . 4.220 3.681 3.533 3.926 . 0 0 "[ . 1 . 2]" 2
610 1 55 TRP HB2 1 57 PHE QE . . 4.600 3.881 3.481 4.391 . 0 0 "[ . 1 . 2]" 2
611 1 55 TRP HB3 1 57 PHE QE . . 4.600 3.415 2.838 3.967 . 0 0 "[ . 1 . 2]" 2
612 1 74 LYS HA 1 74 LYS HD2 . . 4.770 3.948 2.810 4.781 0.011 13 0 "[ . 1 . 2]" 2
613 1 74 LYS HA 1 74 LYS HD3 . . 4.770 3.718 2.107 4.789 0.019 3 0 "[ . 1 . 2]" 2
614 1 15 ILE HA 1 16 HIS H . . 2.960 2.238 2.141 2.394 . 0 0 "[ . 1 . 2]" 2
615 1 15 ILE HA 1 16 HIS HD2 . . 4.500 3.335 2.707 4.285 . 0 0 "[ . 1 . 2]" 2
616 1 15 ILE HA 1 28 THR HA . . 3.990 2.492 2.012 3.166 . 0 0 "[ . 1 . 2]" 2
617 1 34 LYS HA 1 37 LEU HG . . 4.200 3.750 2.657 4.199 . 0 0 "[ . 1 . 2]" 2
618 1 34 LYS HA 1 37 LEU HB2 . . 3.630 2.845 2.597 3.160 . 0 0 "[ . 1 . 2]" 2
619 1 34 LYS HA 1 34 LYS HG2 . . 4.120 2.680 2.239 3.588 . 0 0 "[ . 1 . 2]" 2
620 1 34 LYS HA 1 34 LYS HG3 . . 4.120 2.735 2.269 3.658 . 0 0 "[ . 1 . 2]" 2
621 1 34 LYS HA 1 37 LEU MD1 . . 3.410 2.349 1.999 2.987 . 0 0 "[ . 1 . 2]" 2
622 1 31 SER HA 1 34 LYS QD . . 4.660 3.416 2.095 4.670 0.010 13 0 "[ . 1 . 2]" 2
623 1 78 CYS HA 1 79 GLY H . . 3.570 2.552 2.497 2.609 . 0 0 "[ . 1 . 2]" 2
624 1 78 CYS HA 1 95 MET ME . . 4.800 4.034 2.780 4.789 . 0 0 "[ . 1 . 2]" 2
625 1 57 PHE QE 1 66 HIS HB2 . . 4.960 3.254 2.742 3.597 . 0 0 "[ . 1 . 2]" 2
626 1 63 LEU HA 1 66 HIS HB2 . . 4.560 3.806 3.392 4.152 . 0 0 "[ . 1 . 2]" 2
627 1 57 PHE HZ 1 66 HIS HB2 . . 4.750 2.649 2.186 3.223 . 0 0 "[ . 1 . 2]" 2
628 1 96 LYS H 1 96 LYS QD . . 4.320 3.718 3.248 4.390 0.070 20 0 "[ . 1 . 2]" 2
629 1 93 LEU HA 1 96 LYS QD . . 4.710 3.522 1.896 4.588 . 0 0 "[ . 1 . 2]" 2
630 1 69 LYS H 1 69 LYS HD2 . . 5.410 3.980 2.020 4.827 . 0 0 "[ . 1 . 2]" 2
631 1 69 LYS H 1 69 LYS HD3 . . 5.410 4.127 2.831 5.071 . 0 0 "[ . 1 . 2]" 2
632 1 69 LYS HA 1 69 LYS HD2 . . 5.350 4.008 2.009 4.902 . 0 0 "[ . 1 . 2]" 2
633 1 69 LYS HA 1 69 LYS HD3 . . 5.350 4.132 2.303 4.639 . 0 0 "[ . 1 . 2]" 2
634 1 29 LYS HA 1 29 LYS HD3 . . 4.830 4.100 2.419 4.706 . 0 0 "[ . 1 . 2]" 2
635 1 78 CYS HA 1 91 LEU MD1 . . 3.350 2.605 1.856 3.101 . 0 0 "[ . 1 . 2]" 2
636 1 51 GLU H 1 51 GLU HB3 . . 3.610 2.898 2.508 3.606 . 0 0 "[ . 1 . 2]" 2
637 1 65 ARG HA 1 65 ARG HG3 . . 4.080 2.685 2.254 3.577 . 0 0 "[ . 1 . 2]" 2
638 1 64 THR MG 1 65 ARG HA . . 4.590 3.504 3.283 3.712 . 0 0 "[ . 1 . 2]" 2
639 1 94 HIS HA 1 97 ARG H . . 4.640 3.582 3.192 3.890 . 0 0 "[ . 1 . 2]" 2
640 1 94 HIS HA 1 96 LYS H . . 4.720 4.352 3.973 4.709 . 0 0 "[ . 1 . 2]" 2
641 1 85 PHE HZ 1 94 HIS HB2 . . 4.570 3.767 2.832 4.412 . 0 0 "[ . 1 . 2]" 2
642 1 91 LEU MD1 1 94 HIS HB3 . . 4.570 3.390 2.863 3.977 . 0 0 "[ . 1 . 2]" 2
643 1 85 PHE QE 1 94 HIS HB3 . . 4.780 3.897 3.237 4.609 . 0 0 "[ . 1 . 2]" 2
644 1 66 HIS HA 1 66 HIS HD2 . . 5.290 4.545 4.209 4.774 . 0 0 "[ . 1 . 2]" 2
645 1 66 HIS HA 1 69 LYS QB . . 4.420 3.585 3.249 4.148 . 0 0 "[ . 1 . 2]" 2
646 1 83 ARG HA 1 83 ARG HG3 . . 4.220 2.905 2.627 3.610 . 0 0 "[ . 1 . 2]" 2
647 1 65 ARG H 1 65 ARG HG2 . . 4.790 4.530 4.275 4.628 . 0 0 "[ . 1 . 2]" 2
648 1 65 ARG HA 1 65 ARG HG2 . . 4.080 3.184 2.227 3.816 . 0 0 "[ . 1 . 2]" 2
649 1 36 HIS HA 1 39 THR MG . . 3.520 2.974 2.499 3.428 . 0 0 "[ . 1 . 2]" 2
650 1 96 LYS HA 1 99 GLN QG . . 4.400 3.386 2.076 4.380 . 0 0 "[ . 1 . 2]" 2
651 1 25 LYS HA 1 25 LYS HD3 . . 3.920 2.444 2.003 2.649 . 0 0 "[ . 1 . 2]" 2
652 1 50 TRP HA 1 51 GLU H . . 3.060 2.306 2.142 2.382 . 0 0 "[ . 1 . 2]" 2
653 1 50 TRP HA 1 50 TRP HE3 . . 4.010 2.965 2.426 3.414 . 0 0 "[ . 1 . 2]" 2
654 1 50 TRP HA 1 67 TYR QE . . 4.740 3.724 2.889 4.118 . 0 0 "[ . 1 . 2]" 2
655 1 96 LYS HA 1 98 HIS H . . 4.780 4.440 3.678 4.772 . 0 0 "[ . 1 . 2]" 2
656 1 96 LYS HA 1 96 LYS HG2 . . 4.000 3.105 2.327 4.161 0.161 18 0 "[ . 1 . 2]" 2
657 1 96 LYS HA 1 96 LYS QD . . 4.600 3.523 2.138 4.363 . 0 0 "[ . 1 . 2]" 2
658 1 36 HIS HD2 1 37 LEU HA . . 4.270 3.425 2.898 4.195 . 0 0 "[ . 1 . 2]" 2
659 1 37 LEU HA 1 40 HIS HD2 . . 3.360 2.422 2.033 3.108 . 0 0 "[ . 1 . 2]" 2
660 1 37 LEU HA 1 37 LEU HG . . 3.990 2.770 2.578 3.019 . 0 0 "[ . 1 . 2]" 2
661 1 37 LEU HA 1 37 LEU MD1 . . 4.620 3.837 3.820 3.878 . 0 0 "[ . 1 . 2]" 2
662 1 38 ARG H 1 38 ARG HG2 . . 3.890 3.092 1.897 3.524 . 0 0 "[ . 1 . 2]" 2
663 1 65 ARG HA 1 68 ARG HG2 . . 4.770 4.259 2.630 4.771 0.001 8 0 "[ . 1 . 2]" 2
664 1 68 ARG H 1 68 ARG HG2 . . 3.950 3.085 1.926 3.834 . 0 0 "[ . 1 . 2]" 2
665 1 68 ARG HA 1 68 ARG HG2 . . 3.810 2.476 2.232 2.871 . 0 0 "[ . 1 . 2]" 2
666 1 38 ARG HA 1 38 ARG HG3 . . 3.950 3.181 2.809 3.831 . 0 0 "[ . 1 . 2]" 2
667 1 65 ARG HA 1 68 ARG HG3 . . 4.770 2.922 2.211 3.818 . 0 0 "[ . 1 . 2]" 2
668 1 63 LEU HG 1 64 THR HA . . 4.440 3.296 3.063 3.677 . 0 0 "[ . 1 . 2]" 2
669 1 51 GLU HA 1 51 GLU QG . . 3.710 2.517 2.234 3.339 . 0 0 "[ . 1 . 2]" 2
670 1 20 TYR HA 1 20 TYR QD . . 3.870 2.762 2.274 3.102 . 0 0 "[ . 1 . 2]" 2
671 1 20 TYR HA 1 21 PRO HD2 . . 3.390 2.174 2.091 2.203 . 0 0 "[ . 1 . 2]" 2
672 1 20 TYR HA 1 21 PRO HD3 . . 3.390 2.251 2.249 2.260 . 0 0 "[ . 1 . 2]" 2
673 1 20 TYR HA 1 21 PRO QG . . 4.340 3.870 3.827 3.885 . 0 0 "[ . 1 . 2]" 2
674 1 38 ARG HA 1 38 ARG QD . . 4.680 3.796 2.022 4.201 . 0 0 "[ . 1 . 2]" 2
675 1 38 ARG HA 1 38 ARG HG2 . . 3.950 2.538 2.339 3.033 . 0 0 "[ . 1 . 2]" 2
676 1 62 GLU HA 1 65 ARG H . . 4.370 3.929 3.642 4.325 . 0 0 "[ . 1 . 2]" 2
677 1 62 GLU HA 1 62 GLU HG3 . . 3.870 3.584 2.858 3.815 . 0 0 "[ . 1 . 2]" 2
678 1 62 GLU HA 1 65 ARG HB2 . . 4.320 3.960 3.248 4.224 . 0 0 "[ . 1 . 2]" 2
679 1 62 GLU HA 1 65 ARG HB3 . . 4.320 3.501 3.147 3.926 . 0 0 "[ . 1 . 2]" 2
680 1 33 LEU HG 1 37 LEU HG . . 4.080 2.989 2.441 3.555 . 0 0 "[ . 1 . 2]" 2
681 1 59 ARG H 1 59 ARG QG . . 4.180 2.980 2.596 3.814 . 0 0 "[ . 1 . 2]" 2
682 1 59 ARG QG 1 62 GLU H . . 5.060 4.721 4.276 4.995 . 0 0 "[ . 1 . 2]" 2
683 1 14 ARG HA 1 14 ARG HG2 . . 4.190 3.279 2.405 3.925 . 0 0 "[ . 1 . 2]" 2
684 1 46 TYR HA 1 46 TYR QD . . 3.850 2.833 2.660 3.078 . 0 0 "[ . 1 . 2]" 2
685 1 46 TYR HA 1 63 LEU MD2 . . 4.440 3.519 3.020 3.946 . 0 0 "[ . 1 . 2]" 2
686 1 56 ARG H 1 56 ARG HG2 . . 4.460 4.231 3.870 4.446 . 0 0 "[ . 1 . 2]" 2
687 1 67 TYR HB3 1 68 ARG HA . . 4.650 3.933 3.826 4.087 . 0 0 "[ . 1 . 2]" 2
688 1 68 ARG HA 1 68 ARG HG3 . . 3.810 3.233 2.634 3.817 0.007 1 0 "[ . 1 . 2]" 2
689 1 68 ARG HA 1 69 LYS QB . . 5.500 5.366 5.258 5.440 . 0 0 "[ . 1 . 2]" 2
690 1 68 ARG HA 1 71 THR MG . . 4.460 3.597 2.833 4.284 . 0 0 "[ . 1 . 2]" 2
691 1 93 LEU H 1 93 LEU HG . . 4.890 4.074 2.907 4.542 . 0 0 "[ . 1 . 2]" 2
692 1 93 LEU HG 1 94 HIS H . . 5.270 4.643 4.011 5.183 . 0 0 "[ . 1 . 2]" 2
693 1 48 CYS H 1 56 ARG HG2 . . 5.120 3.835 3.317 4.921 . 0 0 "[ . 1 . 2]" 2
694 1 47 LYS HA 1 56 ARG HG2 . . 4.790 2.386 2.013 3.500 . 0 0 "[ . 1 . 2]" 2
695 1 47 LYS HA 1 56 ARG HG3 . . 4.790 3.514 2.134 4.001 . 0 0 "[ . 1 . 2]" 2
696 1 69 LYS HA 1 69 LYS HG2 . . 3.910 2.754 2.343 3.557 . 0 0 "[ . 1 . 2]" 2
697 1 69 LYS HA 1 69 LYS HG3 . . 3.910 3.046 2.200 3.839 . 0 0 "[ . 1 . 2]" 2
698 1 33 LEU HA 1 37 LEU H . . 4.800 4.222 3.968 4.628 . 0 0 "[ . 1 . 2]" 2
699 1 27 TYR QD 1 33 LEU HA . . 4.030 2.867 2.008 3.714 . 0 0 "[ . 1 . 2]" 2
700 1 27 TYR QE 1 33 LEU HA . . 4.410 3.697 2.833 4.238 . 0 0 "[ . 1 . 2]" 2
701 1 33 LEU HA 1 36 HIS HB3 . . 3.570 2.688 2.367 3.325 . 0 0 "[ . 1 . 2]" 2
702 1 33 LEU HA 1 33 LEU MD2 . . 4.250 3.924 3.780 3.990 . 0 0 "[ . 1 . 2]" 2
703 1 33 LEU HA 1 36 HIS HB2 . . 4.120 3.698 3.254 4.063 . 0 0 "[ . 1 . 2]" 2
704 1 57 PHE QD 1 63 LEU HA . . 4.060 2.988 2.370 3.575 . 0 0 "[ . 1 . 2]" 2
705 1 57 PHE QE 1 63 LEU HA . . 4.730 3.177 2.542 3.517 . 0 0 "[ . 1 . 2]" 2
706 1 63 LEU HA 1 66 HIS HB3 . . 3.690 2.496 2.255 2.815 . 0 0 "[ . 1 . 2]" 2
707 1 57 PHE HB2 1 63 LEU HA . . 4.370 3.806 3.469 4.185 . 0 0 "[ . 1 . 2]" 2
708 1 63 LEU HA 1 63 LEU HG . . 4.270 3.258 3.059 3.402 . 0 0 "[ . 1 . 2]" 2
709 1 63 LEU HA 1 63 LEU MD2 . . 4.650 3.942 3.884 3.990 . 0 0 "[ . 1 . 2]" 2
710 1 83 ARG HA 1 83 ARG HG2 . . 4.220 2.477 2.231 3.706 . 0 0 "[ . 1 . 2]" 2
711 1 93 LEU HA 1 96 LYS H . . 4.470 3.825 3.530 4.341 . 0 0 "[ . 1 . 2]" 2
712 1 93 LEU HA 1 93 LEU HG . . 3.570 2.534 2.265 2.962 . 0 0 "[ . 1 . 2]" 2
713 1 93 LEU HA 1 93 LEU MD2 . . 3.900 3.427 2.191 3.909 0.009 18 0 "[ . 1 . 2]" 2
714 1 85 PHE QD 1 91 LEU HA . . 4.150 3.607 3.098 3.877 . 0 0 "[ . 1 . 2]" 2
715 1 85 PHE HB2 1 91 LEU HA . . 4.440 4.260 3.946 4.445 0.005 3 0 "[ . 1 . 2]" 2
716 1 91 LEU HA 1 94 HIS HB2 . . 4.650 3.672 3.192 4.329 . 0 0 "[ . 1 . 2]" 2
717 1 92 ALA MB 1 93 LEU HA . . 4.540 3.666 3.610 3.774 . 0 0 "[ . 1 . 2]" 2
718 1 97 ARG H 1 97 ARG HG2 . . 4.800 4.097 2.887 4.645 . 0 0 "[ . 1 . 2]" 2
719 1 97 ARG HA 1 97 ARG HG2 . . 4.140 3.232 2.358 3.853 . 0 0 "[ . 1 . 2]" 2
720 1 97 ARG H 1 97 ARG HG3 . . 4.800 4.155 3.642 4.510 . 0 0 "[ . 1 . 2]" 2
721 1 97 ARG HA 1 97 ARG HG3 . . 4.140 2.907 2.163 3.635 . 0 0 "[ . 1 . 2]" 2
722 1 76 PHE QD 1 91 LEU MD2 . . 4.200 2.752 1.922 3.355 . 0 0 "[ . 1 . 2]" 2
723 1 76 PHE HB2 1 91 LEU MD2 . . 4.050 3.658 3.371 4.046 . 0 0 "[ . 1 . 2]" 2
724 1 67 TYR HA 1 70 HIS HB2 . . 4.460 3.254 2.705 3.697 . 0 0 "[ . 1 . 2]" 2
725 1 57 PHE QD 1 63 LEU MD2 . . 4.350 3.664 3.245 4.051 . 0 0 "[ . 1 . 2]" 2
726 1 46 TYR QD 1 63 LEU MD2 . . 3.830 2.913 2.321 3.400 . 0 0 "[ . 1 . 2]" 2
727 1 60 SER HA 1 63 LEU MD2 . . 4.310 3.684 3.394 3.956 . 0 0 "[ . 1 . 2]" 2
728 1 46 TYR HB3 1 63 LEU MD2 . . 3.420 2.158 1.917 2.658 . 0 0 "[ . 1 . 2]" 2
729 1 27 TYR H 1 33 LEU MD2 . . 5.320 4.681 3.888 5.270 . 0 0 "[ . 1 . 2]" 2
730 1 48 CYS HA 1 63 LEU MD2 . . 4.060 3.234 2.486 3.992 . 0 0 "[ . 1 . 2]" 2
731 1 30 SER HA 1 33 LEU MD2 . . 4.550 3.320 2.866 3.704 . 0 0 "[ . 1 . 2]" 2
732 1 16 HIS HB2 1 33 LEU MD2 . . 3.730 2.882 2.009 3.547 . 0 0 "[ . 1 . 2]" 2
733 1 16 HIS HB3 1 33 LEU MD2 . . 3.730 2.163 1.927 2.606 . 0 0 "[ . 1 . 2]" 2
734 1 90 HIS HA 1 94 HIS H . . 4.680 4.086 3.527 4.670 . 0 0 "[ . 1 . 2]" 2
735 1 90 HIS HA 1 90 HIS HD2 . . 3.490 2.372 2.186 2.819 . 0 0 "[ . 1 . 2]" 2
736 1 90 HIS HA 1 93 LEU HB2 . . 4.440 3.539 2.947 4.198 . 0 0 "[ . 1 . 2]" 2
737 1 94 HIS HD2 1 95 MET HA . . 4.140 2.857 2.183 3.370 . 0 0 "[ . 1 . 2]" 2
738 1 95 MET HA 1 98 HIS HD2 . . 3.470 2.805 2.232 3.415 . 0 0 "[ . 1 . 2]" 2
739 1 95 MET HA 1 98 HIS HB2 . . 4.700 3.185 2.438 3.978 . 0 0 "[ . 1 . 2]" 2
740 1 95 MET HA 1 95 MET ME . . 3.790 3.088 2.031 3.767 . 0 0 "[ . 1 . 2]" 2
741 1 25 LYS HA 1 25 LYS HD2 . . 3.920 3.176 2.834 3.598 . 0 0 "[ . 1 . 2]" 2
742 1 32 HIS HA 1 32 HIS HD2 . . 3.630 2.539 2.126 3.102 . 0 0 "[ . 1 . 2]" 2
743 1 32 HIS HA 1 35 ALA MB . . 3.540 2.967 2.454 3.265 . 0 0 "[ . 1 . 2]" 2
744 1 12 LYS HA 1 12 LYS QD . . 4.310 3.880 2.143 4.351 0.041 19 0 "[ . 1 . 2]" 2
745 1 61 ASP HA 1 64 THR HB . . 3.400 2.750 2.370 2.965 . 0 0 "[ . 1 . 2]" 2
746 1 61 ASP HA 1 64 THR MG . . 4.610 3.995 3.690 4.257 . 0 0 "[ . 1 . 2]" 2
747 1 69 LYS QB 1 70 HIS HA . . 4.640 3.817 3.738 3.890 . 0 0 "[ . 1 . 2]" 2
748 1 34 LYS H 1 34 LYS HG2 . . 4.500 3.934 2.574 4.486 . 0 0 "[ . 1 . 2]" 2
749 1 34 LYS H 1 34 LYS HG3 . . 4.500 3.282 2.320 4.140 . 0 0 "[ . 1 . 2]" 2
750 1 13 ARG HA 1 13 ARG QD . . 4.590 3.662 2.142 4.551 . 0 0 "[ . 1 . 2]" 2
751 1 13 ARG HA 1 13 ARG HG2 . . 3.850 3.331 2.280 3.833 . 0 0 "[ . 1 . 2]" 2
752 1 13 ARG HA 1 13 ARG HG3 . . 3.850 3.072 2.199 3.863 0.013 1 0 "[ . 1 . 2]" 2
753 1 14 ARG HA 1 14 ARG HG3 . . 4.190 3.230 2.184 4.216 0.026 9 0 "[ . 1 . 2]" 2
754 1 96 LYS HA 1 96 LYS HG3 . . 4.000 3.511 2.703 3.859 . 0 0 "[ . 1 . 2]" 2
755 1 19 ASP H 1 37 LEU MD2 . . 4.140 3.327 2.977 3.827 . 0 0 "[ . 1 . 2]" 2
756 1 36 HIS HD2 1 37 LEU MD2 . . 3.860 3.477 2.869 3.851 . 0 0 "[ . 1 . 2]" 2
757 1 20 TYR QD 1 37 LEU MD2 . . 4.590 3.689 3.435 4.052 . 0 0 "[ . 1 . 2]" 2
758 1 20 TYR QE 1 37 LEU MD2 . . 5.130 4.995 4.685 5.127 . 0 0 "[ . 1 . 2]" 2
759 1 37 LEU MD2 1 40 HIS HD2 . . 3.480 2.491 1.878 3.452 . 0 0 "[ . 1 . 2]" 2
760 1 37 LEU HA 1 37 LEU MD2 . . 3.120 2.166 1.974 2.470 . 0 0 "[ . 1 . 2]" 2
761 1 10 LEU HA 1 10 LEU MD1 . . 4.370 3.842 3.265 4.107 . 0 0 "[ . 1 . 2]" 2
762 1 10 LEU HA 1 10 LEU MD2 . . 4.370 3.286 2.154 4.100 . 0 0 "[ . 1 . 2]" 2
763 1 99 GLN HA 1 99 GLN QG . . 3.680 2.873 2.242 3.495 . 0 0 "[ . 1 . 2]" 2
764 1 78 CYS HB3 1 82 ASN HA . . 4.810 2.805 2.201 3.190 . 0 0 "[ . 1 . 2]" 2
765 1 92 ALA HA 1 95 MET HG2 . . 4.660 3.473 2.284 4.653 . 0 0 "[ . 1 . 2]" 2
766 1 92 ALA HA 1 95 MET HG3 . . 4.660 3.241 2.834 3.733 . 0 0 "[ . 1 . 2]" 2
767 1 92 ALA HA 1 95 MET QB . . 3.730 3.112 2.342 3.747 0.017 12 0 "[ . 1 . 2]" 2
768 1 91 LEU HG 1 92 ALA HA . . 4.610 3.294 2.969 3.508 . 0 0 "[ . 1 . 2]" 2
769 1 91 LEU MD1 1 92 ALA HA . . 5.340 4.444 4.103 4.789 . 0 0 "[ . 1 . 2]" 2
770 1 91 LEU MD2 1 92 ALA HA . . 5.500 4.390 4.102 4.577 . 0 0 "[ . 1 . 2]" 2
771 1 93 LEU HA 1 93 LEU MD1 . . 3.900 2.929 1.996 3.827 . 0 0 "[ . 1 . 2]" 2
772 1 16 HIS HA 1 33 LEU MD2 . . 4.550 4.130 3.644 4.525 . 0 0 "[ . 1 . 2]" 2
773 1 35 ALA HA 1 38 ARG H . . 4.490 3.761 3.162 4.013 . 0 0 "[ . 1 . 2]" 2
774 1 34 LYS QB 1 35 ALA HA . . 4.060 3.816 3.751 3.869 . 0 0 "[ . 1 . 2]" 2
775 1 35 ALA HA 1 38 ARG HG2 . . 4.690 4.011 2.056 4.669 . 0 0 "[ . 1 . 2]" 2
776 1 35 ALA HA 1 38 ARG HG3 . . 4.690 2.690 2.042 3.065 . 0 0 "[ . 1 . 2]" 2
777 1 93 LEU H 1 93 LEU MD2 . . 4.640 4.203 3.992 4.348 . 0 0 "[ . 1 . 2]" 2
778 1 93 LEU MD2 1 94 HIS H . . 5.170 4.313 2.934 5.161 . 0 0 "[ . 1 . 2]" 2
779 1 29 LYS HA 1 29 LYS HD2 . . 4.830 4.190 3.176 4.778 . 0 0 "[ . 1 . 2]" 2
780 1 29 LYS HA 1 29 LYS QG . . 3.760 2.299 2.138 2.656 . 0 0 "[ . 1 . 2]" 2
781 1 76 PHE QE 1 87 ARG HA . . 4.010 3.222 2.030 4.000 . 0 0 "[ . 1 . 2]" 2
782 1 16 HIS HD2 1 29 LYS HA . . 4.810 3.758 2.673 4.650 . 0 0 "[ . 1 . 2]" 2
783 1 44 LYS HA 1 44 LYS HG3 . . 3.940 2.658 2.202 3.772 . 0 0 "[ . 1 . 2]" 2
784 1 44 LYS HA 1 58 ALA HA . . 3.280 2.585 2.000 3.255 . 0 0 "[ . 1 . 2]" 2
785 1 74 LYS HA 1 75 PRO QD . . 2.910 1.996 1.852 2.274 . 0 0 "[ . 1 . 2]" 2
786 1 44 LYS HA 1 44 LYS HG2 . . 3.940 2.996 2.333 3.574 . 0 0 "[ . 1 . 2]" 2
787 1 73 ALA HA 1 74 LYS HA . . 5.210 4.471 4.300 4.767 . 0 0 "[ . 1 . 2]" 2
788 1 85 PHE QD 1 91 LEU MD1 . . 3.410 2.643 2.115 3.293 . 0 0 "[ . 1 . 2]" 2
789 1 91 LEU MD1 1 94 HIS HD2 . . 3.480 3.099 2.530 3.458 . 0 0 "[ . 1 . 2]" 2
790 1 91 LEU H 1 91 LEU MD1 . . 4.610 4.170 4.049 4.302 . 0 0 "[ . 1 . 2]" 2
791 1 85 PHE QE 1 91 LEU MD1 . . 3.730 2.669 1.895 3.587 . 0 0 "[ . 1 . 2]" 2
792 1 91 LEU HA 1 91 LEU MD1 . . 3.200 2.270 1.988 2.631 . 0 0 "[ . 1 . 2]" 2
793 1 78 CYS HB2 1 91 LEU MD1 . . 3.460 3.087 2.748 3.456 . 0 0 "[ . 1 . 2]" 2
794 1 91 LEU MD1 1 95 MET ME . . 4.220 3.613 2.449 4.222 0.002 17 0 "[ . 1 . 2]" 2
795 1 63 LEU MD1 1 67 TYR QD . . 4.100 3.063 2.742 3.338 . 0 0 "[ . 1 . 2]" 2
796 1 57 PHE QD 1 63 LEU MD1 . . 3.360 2.305 2.026 2.620 . 0 0 "[ . 1 . 2]" 2
797 1 63 LEU MD1 1 66 HIS HD2 . . 3.710 2.548 2.009 3.013 . 0 0 "[ . 1 . 2]" 2
798 1 63 LEU MD1 1 67 TYR QE . . 4.960 4.632 4.292 4.935 . 0 0 "[ . 1 . 2]" 2
799 1 57 PHE QE 1 63 LEU MD1 . . 3.820 2.412 2.032 2.944 . 0 0 "[ . 1 . 2]" 2
800 1 48 CYS HA 1 63 LEU MD1 . . 3.300 2.157 1.896 2.480 . 0 0 "[ . 1 . 2]" 2
801 1 48 CYS HB2 1 63 LEU MD1 . . 3.680 2.715 2.245 3.119 . 0 0 "[ . 1 . 2]" 2
802 1 57 PHE HB2 1 63 LEU MD1 . . 4.530 3.909 3.599 4.237 . 0 0 "[ . 1 . 2]" 2
803 1 63 LEU MD1 1 66 HIS HB2 . . 5.060 4.402 4.036 4.892 . 0 0 "[ . 1 . 2]" 2
804 1 33 LEU MD1 1 34 LYS H . . 5.000 4.275 4.024 4.521 . 0 0 "[ . 1 . 2]" 2
805 1 33 LEU MD1 1 36 HIS HD2 . . 3.330 2.532 1.932 3.126 . 0 0 "[ . 1 . 2]" 2
806 1 27 TYR QD 1 33 LEU MD1 . . 3.390 2.412 1.865 3.061 . 0 0 "[ . 1 . 2]" 2
807 1 27 TYR QE 1 33 LEU MD1 . . 3.840 3.248 2.339 3.740 . 0 0 "[ . 1 . 2]" 2
808 1 18 CYS HA 1 33 LEU MD1 . . 3.260 2.421 2.114 2.890 . 0 0 "[ . 1 . 2]" 2
809 1 33 LEU HA 1 33 LEU MD1 . . 3.230 2.220 1.983 2.429 . 0 0 "[ . 1 . 2]" 2
810 1 18 CYS QB 1 33 LEU MD1 . . 3.630 3.003 2.527 3.402 . 0 0 "[ . 1 . 2]" 2
811 1 33 LEU MD1 1 37 LEU HG . . 3.970 2.947 2.356 3.701 . 0 0 "[ . 1 . 2]" 2
812 1 33 LEU HB2 1 33 LEU MD1 . . 3.440 2.315 2.225 2.475 . 0 0 "[ . 1 . 2]" 2
813 1 33 LEU MD1 1 36 HIS HB3 . . 4.260 2.740 2.375 3.082 . 0 0 "[ . 1 . 2]" 2
814 1 48 CYS H 1 63 LEU MD1 . . 4.250 3.272 2.669 3.668 . 0 0 "[ . 1 . 2]" 2
815 1 63 LEU HA 1 63 LEU MD1 . . 3.350 2.203 1.999 2.423 . 0 0 "[ . 1 . 2]" 2
816 1 63 LEU MD1 1 67 TYR HB2 . . 4.130 3.149 2.299 3.582 . 0 0 "[ . 1 . 2]" 2
817 1 14 ARG HA 1 28 THR MG . . 5.370 4.937 4.177 5.366 . 0 0 "[ . 1 . 2]" 2
818 1 15 ILE MD 1 28 THR MG . . 4.100 3.250 1.802 4.103 0.003 11 0 "[ . 1 . 2]" 2
819 1 15 ILE MG 1 28 THR MG . . 4.470 3.979 2.771 4.469 . 0 0 "[ . 1 . 2]" 2
820 1 64 THR HA 1 64 THR MG . . 3.240 2.368 2.245 2.449 . 0 0 "[ . 1 . 2]" 2
821 1 64 THR MG 1 68 ARG QD . . 4.120 3.608 2.324 4.113 . 0 0 "[ . 1 . 2]" 2
822 1 67 TYR QE 1 71 THR MG . . 3.670 2.997 2.263 3.613 . 0 0 "[ . 1 . 2]" 2
823 1 50 TRP HZ3 1 71 THR MG . . 3.820 2.984 2.212 3.586 . 0 0 "[ . 1 . 2]" 2
824 1 71 THR HA 1 71 THR MG . . 3.250 2.507 2.296 3.205 . 0 0 "[ . 1 . 2]" 2
825 1 70 HIS HB2 1 71 THR MG . . 4.260 3.192 2.973 3.489 . 0 0 "[ . 1 . 2]" 2
826 1 49 THR H 1 49 THR MG . . 3.930 3.198 2.323 3.801 . 0 0 "[ . 1 . 2]" 2
827 1 49 THR HA 1 49 THR MG . . 3.070 2.356 2.119 3.183 0.113 17 0 "[ . 1 . 2]" 2
828 1 67 TYR QD 1 71 THR MG . . 4.060 3.168 2.263 3.835 . 0 0 "[ . 1 . 2]" 2
829 1 50 TRP HE3 1 71 THR MG . . 4.790 4.452 3.949 4.790 0.000 5 0 "[ . 1 . 2]" 2
830 1 71 THR H 1 71 THR MG . . 3.890 2.288 1.896 2.555 . 0 0 "[ . 1 . 2]" 2
831 1 24 THR H 1 24 THR MG . . 3.920 2.800 1.929 3.078 . 0 0 "[ . 1 . 2]" 2
832 1 41 THR H 1 41 THR MG . . 4.410 2.981 1.825 3.901 . 0 0 "[ . 1 . 2]" 2
833 1 41 THR HA 1 41 THR MG . . 3.380 2.534 2.191 3.204 . 0 0 "[ . 1 . 2]" 2
834 1 80 VAL H 1 80 VAL MG2 . . 3.280 2.233 1.963 2.530 . 0 0 "[ . 1 . 2]" 2
835 1 80 VAL MG2 1 98 HIS HD2 . . 4.120 3.593 2.954 4.057 . 0 0 "[ . 1 . 2]" 2
836 1 80 VAL HA 1 80 VAL MG2 . . 3.100 2.307 2.196 2.429 . 0 0 "[ . 1 . 2]" 2
837 1 80 VAL MG2 1 98 HIS HB3 . . 4.080 3.114 2.486 3.781 . 0 0 "[ . 1 . 2]" 2
838 1 80 VAL MG2 1 98 HIS HB2 . . 4.480 4.000 3.370 4.372 . 0 0 "[ . 1 . 2]" 2
839 1 17 TYR QD 1 26 VAL MG1 . . 4.150 2.606 1.835 4.089 . 0 0 "[ . 1 . 2]" 2
840 1 17 TYR HA 1 26 VAL MG1 . . 4.560 2.570 1.943 4.533 . 0 0 "[ . 1 . 2]" 2
841 1 39 THR HA 1 39 THR MG . . 3.160 2.356 2.248 2.444 . 0 0 "[ . 1 . 2]" 2
842 1 17 TYR QE 1 26 VAL MG1 . . 4.520 3.449 2.526 4.285 . 0 0 "[ . 1 . 2]" 2
843 1 26 VAL HA 1 26 VAL MG1 . . 3.660 2.563 2.303 3.202 . 0 0 "[ . 1 . 2]" 2
844 1 80 VAL MG1 1 98 HIS HE1 . . 4.170 2.812 2.047 3.973 . 0 0 "[ . 1 . 2]" 2
845 1 80 VAL MG1 1 98 HIS HB3 . . 4.140 3.923 3.514 4.150 0.010 20 0 "[ . 1 . 2]" 2
846 1 80 VAL MG1 1 81 CYS HB3 . . 4.280 3.443 3.155 3.654 . 0 0 "[ . 1 . 2]" 2
847 1 58 ALA H 1 58 ALA MB . . 3.340 2.234 2.041 2.382 . 0 0 "[ . 1 . 2]" 2
848 1 44 LYS HA 1 58 ALA MB . . 4.220 3.539 2.686 4.213 . 0 0 "[ . 1 . 2]" 2
849 1 16 HIS H 1 26 VAL MG2 . . 5.500 4.326 2.308 5.179 . 0 0 "[ . 1 . 2]" 2
850 1 26 VAL H 1 26 VAL MG2 . . 3.980 2.676 2.062 3.962 . 0 0 "[ . 1 . 2]" 2
851 1 17 TYR QD 1 26 VAL MG2 . . 4.150 3.520 1.991 4.159 0.009 16 0 "[ . 1 . 2]" 2
852 1 17 TYR QE 1 26 VAL MG2 . . 4.520 3.754 2.738 4.537 0.017 16 0 "[ . 1 . 2]" 2
853 1 26 VAL HA 1 26 VAL MG2 . . 3.660 2.922 2.370 3.197 . 0 0 "[ . 1 . 2]" 2
854 1 45 PRO HD2 1 58 ALA MB . . 4.520 3.941 3.261 4.413 . 0 0 "[ . 1 . 2]" 2
855 1 45 PRO HD2 1 46 TYR QD . . 4.410 2.991 2.530 3.217 . 0 0 "[ . 1 . 2]" 2
856 1 45 PRO HD3 1 46 TYR QD . . 4.770 4.536 4.168 4.773 0.003 10 0 "[ . 1 . 2]" 2
857 1 75 PRO QD 1 76 PHE QD . . 4.510 3.729 3.086 4.317 . 0 0 "[ . 1 . 2]" 2
858 1 44 LYS HA 1 45 PRO HD2 . . 3.620 1.999 1.913 2.316 . 0 0 "[ . 1 . 2]" 2
859 1 45 PRO HD3 1 58 ALA HA . . 4.480 4.141 3.636 4.477 . 0 0 "[ . 1 . 2]" 2
860 1 73 ALA MB 1 74 LYS H . . 4.400 2.742 2.127 3.647 . 0 0 "[ . 1 . 2]" 2
861 1 20 TYR QD 1 21 PRO HD2 . . 4.680 2.831 2.637 3.039 . 0 0 "[ . 1 . 2]" 2
862 1 20 TYR QD 1 21 PRO HD3 . . 4.680 3.923 3.490 4.141 . 0 0 "[ . 1 . 2]" 2
863 1 7 GLY QA 1 8 PRO HD2 . . 3.230 2.006 1.906 2.191 . 0 0 "[ . 1 . 2]" 2
864 1 35 ALA MB 1 38 ARG QD . . 4.510 3.724 2.912 4.532 0.022 6 0 "[ . 1 . 2]" 2
865 1 34 LYS QB 1 35 ALA MB . . 4.240 3.753 3.615 3.825 . 0 0 "[ . 1 . 2]" 2
866 1 89 ASP HA 1 92 ALA MB . . 3.180 2.703 2.479 3.102 . 0 0 "[ . 1 . 2]" 2
867 1 15 ILE MG 1 27 TYR H . . 5.100 3.603 2.550 4.638 . 0 0 "[ . 1 . 2]" 2
868 1 15 ILE MG 1 16 HIS H . . 3.820 2.198 1.813 2.587 . 0 0 "[ . 1 . 2]" 2
869 1 15 ILE MG 1 17 TYR QD . . 4.310 3.037 2.097 3.796 . 0 0 "[ . 1 . 2]" 2
870 1 15 ILE MG 1 16 HIS HA . . 4.430 3.592 3.250 3.995 . 0 0 "[ . 1 . 2]" 2
871 1 15 ILE HA 1 15 ILE MG . . 3.330 2.371 2.237 2.462 . 0 0 "[ . 1 . 2]" 2
872 1 81 CYS HB3 1 98 HIS HE1 . . 3.680 2.126 2.000 2.313 . 0 0 "[ . 1 . 2]" 2
873 1 29 LYS QG 1 32 HIS HE1 . . 5.500 4.226 2.397 5.460 . 0 0 "[ . 1 . 2]" 2
874 1 16 HIS HE1 1 30 SER HB2 . . 4.670 3.842 2.538 4.595 . 0 0 "[ . 1 . 2]" 2
875 1 16 HIS HE1 1 30 SER HB3 . . 4.670 3.583 2.575 4.432 . 0 0 "[ . 1 . 2]" 2
876 1 15 ILE HB 1 17 TYR QD . . 5.030 4.450 3.708 4.977 . 0 0 "[ . 1 . 2]" 2
877 1 17 TYR HA 1 17 TYR QD . . 4.400 2.799 2.302 3.257 . 0 0 "[ . 1 . 2]" 2
878 1 16 HIS HA 1 17 TYR QD . . 4.740 3.886 3.024 4.743 0.003 8 0 "[ . 1 . 2]" 2
879 1 67 TYR H 1 67 TYR QD . . 4.650 3.999 3.874 4.160 . 0 0 "[ . 1 . 2]" 2
880 1 67 TYR QD 1 70 HIS HD2 . . 4.080 3.350 2.723 3.796 . 0 0 "[ . 1 . 2]" 2
881 1 27 TYR QD 1 32 HIS HB3 . . 4.260 3.235 2.140 4.157 . 0 0 "[ . 1 . 2]" 2
882 1 27 TYR QD 1 32 HIS HB2 . . 4.600 3.755 2.748 4.598 . 0 0 "[ . 1 . 2]" 2
883 1 27 TYR QD 1 33 LEU HB2 . . 4.480 3.259 2.032 4.312 . 0 0 "[ . 1 . 2]" 2
884 1 46 TYR QD 1 58 ALA HA . . 4.830 3.301 2.624 4.214 . 0 0 "[ . 1 . 2]" 2
885 1 85 PHE HA 1 85 PHE QD . . 4.180 2.934 2.546 3.191 . 0 0 "[ . 1 . 2]" 2
886 1 85 PHE QD 1 90 HIS HB2 . . 4.440 3.746 2.984 4.261 . 0 0 "[ . 1 . 2]" 2
887 1 85 PHE QD 1 90 HIS HB3 . . 4.140 2.949 2.199 3.765 . 0 0 "[ . 1 . 2]" 2
888 1 76 PHE HA 1 76 PHE QE . . 4.800 4.602 4.424 4.750 . 0 0 "[ . 1 . 2]" 2
889 1 57 PHE QE 1 66 HIS HD2 . . 4.500 3.033 2.279 3.851 . 0 0 "[ . 1 . 2]" 2
890 1 83 ARG HB2 1 85 PHE QE . . 4.620 3.201 2.345 4.330 . 0 0 "[ . 1 . 2]" 2
891 1 85 PHE QE 1 94 HIS HD2 . . 4.770 3.960 3.264 4.419 . 0 0 "[ . 1 . 2]" 2
892 1 85 PHE QE 1 94 HIS HB2 . . 4.690 3.438 2.565 4.385 . 0 0 "[ . 1 . 2]" 2
893 1 50 TRP HD1 1 53 CYS HB3 . . 4.540 3.552 2.791 4.095 . 0 0 "[ . 1 . 2]" 2
894 1 27 TYR QE 1 36 HIS HD2 . . 4.860 3.462 2.558 4.271 . 0 0 "[ . 1 . 2]" 2
895 1 66 HIS HD2 1 70 HIS HD2 . . 4.860 3.509 2.859 4.199 . 0 0 "[ . 1 . 2]" 2
896 1 80 VAL MG1 1 81 CYS HA . . 4.640 3.265 3.037 3.464 . 0 0 "[ . 1 . 2]" 2
897 1 84 SER HA 1 85 PHE QD . . 3.960 3.346 2.767 3.958 . 0 0 "[ . 1 . 2]" 2
898 1 77 GLN HA 1 84 SER HA . . 3.250 2.709 2.350 3.048 . 0 0 "[ . 1 . 2]" 2
899 1 50 TRP HE3 1 67 TYR QE . . 3.950 2.809 2.091 3.416 . 0 0 "[ . 1 . 2]" 2
900 1 50 TRP HB2 1 67 TYR QE . . 4.890 2.972 2.286 3.464 . 0 0 "[ . 1 . 2]" 2
901 1 45 PRO HD2 1 46 TYR QE . . 4.350 4.071 3.326 4.360 0.010 6 0 "[ . 1 . 2]" 2
902 1 15 ILE HB 1 17 TYR QE . . 4.500 3.364 2.058 4.435 . 0 0 "[ . 1 . 2]" 2
903 1 15 ILE MD 1 17 TYR QE . . 4.490 3.997 2.965 4.481 . 0 0 "[ . 1 . 2]" 2
904 1 15 ILE MG 1 17 TYR QE . . 4.200 2.584 1.913 3.668 . 0 0 "[ . 1 . 2]" 2
905 1 25 LYS HB3 1 27 TYR QE . . 4.250 2.813 2.053 3.503 . 0 0 "[ . 1 . 2]" 2
906 1 27 TYR QE 1 36 HIS HB3 . . 4.800 3.077 2.190 3.724 . 0 0 "[ . 1 . 2]" 2
907 1 56 ARG HA 1 57 PHE QD . . 4.320 3.124 2.760 3.831 . 0 0 "[ . 1 . 2]" 2
908 1 15 ILE HG12 1 15 ILE MG . . 3.700 2.650 2.153 3.203 . 0 0 "[ . 1 . 2]" 2
909 1 15 ILE HG13 1 15 ILE MG . . 3.700 2.859 2.361 3.199 . 0 0 "[ . 1 . 2]" 2
910 1 15 ILE MD 1 15 ILE MG . . 3.180 2.069 1.864 3.153 . 0 0 "[ . 1 . 2]" 2
911 1 17 TYR HA 1 26 VAL MG2 . . 4.560 3.745 1.972 4.601 0.041 16 0 "[ . 1 . 2]" 2
912 1 26 VAL HA 1 27 TYR QD . . 4.500 3.262 2.777 4.214 . 0 0 "[ . 1 . 2]" 2
913 1 27 TYR HA 1 27 TYR QD . . 3.830 2.960 2.440 3.152 . 0 0 "[ . 1 . 2]" 2
914 1 28 THR HA 1 28 THR MG . . 3.450 2.291 2.130 2.409 . 0 0 "[ . 1 . 2]" 2
915 1 33 LEU HB3 1 33 LEU MD2 . . 3.420 2.244 2.123 2.412 . 0 0 "[ . 1 . 2]" 2
916 1 37 LEU HB3 1 37 LEU MD1 . . 3.200 2.451 2.344 2.655 . 0 0 "[ . 1 . 2]" 2
917 1 37 LEU HB2 1 37 LEU MD1 . . 3.300 2.250 2.033 2.337 . 0 0 "[ . 1 . 2]" 2
918 1 37 LEU HB3 1 37 LEU MD2 . . 3.340 2.251 2.121 2.355 . 0 0 "[ . 1 . 2]" 2
919 1 47 LYS HA 1 56 ARG HB3 . . 4.640 3.486 3.131 3.840 . 0 0 "[ . 1 . 2]" 2
920 1 47 LYS HA 1 56 ARG HA . . 3.450 2.236 1.997 2.502 . 0 0 "[ . 1 . 2]" 2
921 1 47 LYS HA 1 48 CYS H . . 3.170 2.245 2.141 2.421 . 0 0 "[ . 1 . 2]" 2
922 1 53 CYS HA 1 54 ASP H . . 3.260 2.162 2.138 2.214 . 0 0 "[ . 1 . 2]" 2
923 1 45 PRO HD2 1 58 ALA HA . . 3.600 2.659 2.028 3.066 . 0 0 "[ . 1 . 2]" 2
924 1 63 LEU HB3 1 63 LEU MD2 . . 3.550 2.244 2.078 2.341 . 0 0 "[ . 1 . 2]" 2
925 1 76 PHE HA 1 77 GLN H . . 3.290 2.166 2.139 2.250 . 0 0 "[ . 1 . 2]" 2
926 1 76 PHE HA 1 76 PHE QD . . 3.720 2.587 2.240 3.019 . 0 0 "[ . 1 . 2]" 2
927 1 76 PHE HA 1 91 LEU MD2 . . 4.060 3.294 2.503 3.955 . 0 0 "[ . 1 . 2]" 2
928 1 77 GLN HA 1 77 GLN HG3 . . 4.250 2.648 2.316 3.630 . 0 0 "[ . 1 . 2]" 2
929 1 77 GLN HG2 1 82 ASN HA . . 4.540 3.182 2.259 4.450 . 0 0 "[ . 1 . 2]" 2
930 1 85 PHE QD 1 91 LEU HB2 . . 4.320 3.103 2.255 3.810 . 0 0 "[ . 1 . 2]" 2
931 1 83 ARG HB2 1 85 PHE HZ . . 5.020 3.331 2.210 4.797 . 0 0 "[ . 1 . 2]" 2
932 1 75 PRO QD 1 86 SER HA . . 4.280 3.911 3.092 4.277 . 0 0 "[ . 1 . 2]" 2
933 1 91 LEU HB2 1 91 LEU MD1 . . 3.500 2.268 2.075 2.392 . 0 0 "[ . 1 . 2]" 2
934 1 23 CYS HB2 1 40 HIS HE1 . . 4.030 2.521 2.065 3.104 . 0 0 "[ . 1 . 2]" 2
935 1 23 CYS HB3 1 40 HIS HE1 . . 4.710 3.801 2.932 4.600 . 0 0 "[ . 1 . 2]" 2
936 1 20 TYR QD 1 40 HIS HE1 . . 4.630 3.281 2.584 4.444 . 0 0 "[ . 1 . 2]" 2
937 1 50 TRP HD1 1 70 HIS HE1 . . 4.680 3.690 2.725 4.669 . 0 0 "[ . 1 . 2]" 2
938 1 94 HIS HD2 1 98 HIS HD2 . . 4.300 3.277 2.309 4.177 . 0 0 "[ . 1 . 2]" 2
939 1 55 TRP HD1 1 66 HIS HE1 . . 3.950 3.658 2.997 3.934 . 0 0 "[ . 1 . 2]" 2
940 1 30 SER HA 1 33 LEU HB2 . . 4.530 3.461 2.789 4.094 . 0 0 "[ . 1 . 2]" 2
941 1 30 SER HA 1 33 LEU HB3 . . 3.940 2.881 2.378 3.438 . 0 0 "[ . 1 . 2]" 2
942 1 46 TYR QD 1 60 SER HA . . 4.150 3.167 2.375 3.692 . 0 0 "[ . 1 . 2]" 2
943 1 76 PHE QE 1 88 SER HB3 . . 4.870 3.560 2.164 4.628 . 0 0 "[ . 1 . 2]" 2
944 1 76 PHE HZ 1 88 SER HB3 . . 5.140 3.603 2.061 4.604 . 0 0 "[ . 1 . 2]" 2
945 1 76 PHE QE 1 88 SER HB2 . . 4.870 3.374 2.021 4.812 . 0 0 "[ . 1 . 2]" 2
946 1 76 PHE HZ 1 88 SER HB2 . . 5.140 3.559 2.141 4.792 . 0 0 "[ . 1 . 2]" 2
947 1 7 GLY QA 1 8 PRO QD . . 2.750 1.910 1.844 2.139 . 0 0 "[ . 1 . 2]" 2
948 1 10 LEU H 1 10 LEU QB . . 3.360 3.008 2.469 3.331 . 0 0 "[ . 1 . 2]" 2
949 1 10 LEU HA 1 10 LEU QD . . 3.500 2.998 2.144 3.429 . 0 0 "[ . 1 . 2]" 2
950 1 11 GLU H 1 11 GLU QB . . 3.320 2.951 2.360 3.308 . 0 0 "[ . 1 . 2]" 2
951 1 11 GLU H 1 11 GLU QG . . 3.900 2.945 2.042 4.027 0.127 13 0 "[ . 1 . 2]" 2
952 1 12 LYS H 1 12 LYS QB . . 3.670 2.721 2.215 3.282 . 0 0 "[ . 1 . 2]" 2
953 1 12 LYS HA 1 12 LYS QG . . 3.630 2.634 2.144 3.343 . 0 0 "[ . 1 . 2]" 2
954 1 12 LYS QB 1 13 ARG H . . 4.280 2.914 2.057 3.732 . 0 0 "[ . 1 . 2]" 2
955 1 13 ARG HA 1 13 ARG QG . . 3.370 2.720 2.176 3.344 . 0 0 "[ . 1 . 2]" 2
956 1 13 ARG QB 1 13 ARG QD . . 3.300 2.248 2.060 2.584 . 0 0 "[ . 1 . 2]" 2
957 1 14 ARG HA 1 14 ARG QG . . 3.390 2.791 2.147 3.421 0.031 9 0 "[ . 1 . 2]" 2
958 1 14 ARG QB 1 14 ARG QD . . 3.330 2.214 2.048 2.538 . 0 0 "[ . 1 . 2]" 2
959 1 14 ARG QG 1 15 ILE H . . 4.190 3.398 1.896 4.185 . 0 0 "[ . 1 . 2]" 2
960 1 15 ILE H 1 15 ILE QG . . 3.530 2.874 2.159 3.354 . 0 0 "[ . 1 . 2]" 2
961 1 15 ILE HA 1 15 ILE QG . . 3.740 2.615 2.341 2.925 . 0 0 "[ . 1 . 2]" 2
962 1 15 ILE QG 1 15 ILE MG . . 3.170 2.283 2.097 2.442 . 0 0 "[ . 1 . 2]" 2
963 1 15 ILE QG 1 16 HIS H . . 4.750 4.203 3.839 4.586 . 0 0 "[ . 1 . 2]" 2
964 1 16 HIS H 1 16 HIS QB . . 3.460 2.610 2.256 2.980 . 0 0 "[ . 1 . 2]" 2
965 1 16 HIS H 1 26 VAL QG . . 4.590 3.692 2.202 4.571 . 0 0 "[ . 1 . 2]" 2
966 1 16 HIS QB 1 17 TYR H . . 4.050 3.350 2.856 3.763 . 0 0 "[ . 1 . 2]" 2
967 1 16 HIS QB 1 27 TYR H . . 4.140 3.197 2.686 3.704 . 0 0 "[ . 1 . 2]" 2
968 1 16 HIS QB 1 27 TYR HB2 . . 4.340 3.551 2.971 4.304 . 0 0 "[ . 1 . 2]" 2
969 1 16 HIS QB 1 33 LEU MD1 . . 4.320 3.211 2.525 3.872 . 0 0 "[ . 1 . 2]" 2
970 1 16 HIS QB 1 33 LEU MD2 . . 3.080 2.071 1.765 2.472 . 0 0 "[ . 1 . 2]" 2
971 1 16 HIS HE1 1 30 SER QB . . 4.000 3.022 2.516 3.797 . 0 0 "[ . 1 . 2]" 2
972 1 17 TYR H 1 17 TYR QB . . 3.460 2.510 2.183 2.712 . 0 0 "[ . 1 . 2]" 2
973 1 17 TYR HA 1 26 VAL QG . . 3.660 2.187 1.805 3.231 . 0 0 "[ . 1 . 2]" 2
974 1 17 TYR QB 1 18 CYS H . . 3.790 3.271 2.848 3.621 . 0 0 "[ . 1 . 2]" 2
975 1 17 TYR QD 1 26 VAL QG . . 3.640 2.317 1.831 3.238 . 0 0 "[ . 1 . 2]" 2
976 1 17 TYR QE 1 26 VAL QG . . 3.950 3.141 2.332 3.903 . 0 0 "[ . 1 . 2]" 2
977 1 18 CYS H 1 26 VAL QG . . 4.580 3.092 1.981 4.392 . 0 0 "[ . 1 . 2]" 2
978 1 20 TYR HA 1 21 PRO QD . . 2.840 1.969 1.928 1.983 . 0 0 "[ . 1 . 2]" 2
979 1 20 TYR QB 1 23 CYS H . . 4.430 3.393 3.024 4.347 . 0 0 "[ . 1 . 2]" 2
980 1 20 TYR QB 1 23 CYS HB2 . . 3.940 2.836 1.991 3.738 . 0 0 "[ . 1 . 2]" 2
981 1 20 TYR QB 1 23 CYS HB3 . . 3.850 2.171 1.994 2.473 . 0 0 "[ . 1 . 2]" 2
982 1 20 TYR QB 1 40 HIS HE1 . . 4.780 3.679 3.138 4.241 . 0 0 "[ . 1 . 2]" 2
983 1 20 TYR QD 1 21 PRO QD . . 4.090 2.768 2.563 2.966 . 0 0 "[ . 1 . 2]" 2
984 1 20 TYR QE 1 21 PRO QD . . 4.720 3.405 3.295 3.609 . 0 0 "[ . 1 . 2]" 2
985 1 21 PRO HA 1 22 GLY QA . . 4.710 3.930 3.900 4.042 . 0 0 "[ . 1 . 2]" 2
986 1 25 LYS H 1 25 LYS QG . . 3.240 2.849 2.446 3.149 . 0 0 "[ . 1 . 2]" 2
987 1 25 LYS H 1 25 LYS QD . . 4.610 4.234 3.908 4.482 . 0 0 "[ . 1 . 2]" 2
988 1 25 LYS HA 1 25 LYS QG . . 3.660 2.624 2.383 2.812 . 0 0 "[ . 1 . 2]" 2
989 1 25 LYS HA 1 25 LYS QD . . 3.320 2.360 1.979 2.526 . 0 0 "[ . 1 . 2]" 2
990 1 25 LYS HA 1 26 VAL QG . . 4.540 3.278 3.099 3.441 . 0 0 "[ . 1 . 2]" 2
991 1 25 LYS QG 1 26 VAL H . . 5.330 4.321 4.093 4.553 . 0 0 "[ . 1 . 2]" 2
992 1 25 LYS QG 1 36 HIS HE1 . . 3.740 2.706 2.127 3.358 . 0 0 "[ . 1 . 2]" 2
993 1 26 VAL H 1 26 VAL QG . . 3.300 2.307 2.026 2.920 . 0 0 "[ . 1 . 2]" 2
994 1 26 VAL QG 1 27 TYR H . . 3.460 2.757 1.876 3.348 . 0 0 "[ . 1 . 2]" 2
995 1 29 LYS HA 1 29 LYS QD . . 4.140 3.617 2.396 4.114 . 0 0 "[ . 1 . 2]" 2
996 1 29 LYS QD 1 32 HIS H . . 5.340 4.466 3.234 5.341 0.001 17 0 "[ . 1 . 2]" 2
997 1 29 LYS QD 1 32 HIS HE1 . . 4.580 3.268 2.071 4.385 . 0 0 "[ . 1 . 2]" 2
998 1 34 LYS H 1 34 LYS QG . . 3.800 3.067 2.292 3.808 0.008 9 0 "[ . 1 . 2]" 2
999 1 34 LYS HA 1 34 LYS QG . . 3.540 2.311 2.193 2.421 . 0 0 "[ . 1 . 2]" 2
1000 1 35 ALA HA 1 38 ARG QG . . 4.110 2.627 1.945 3.026 . 0 0 "[ . 1 . 2]" 2
1001 1 38 ARG H 1 38 ARG QG . . 3.360 2.146 1.882 2.413 . 0 0 "[ . 1 . 2]" 2
1002 1 38 ARG HA 1 38 ARG QG . . 3.260 2.435 2.274 2.916 . 0 0 "[ . 1 . 2]" 2
1003 1 38 ARG QB 1 38 ARG QD . . 3.420 2.259 2.076 2.685 . 0 0 "[ . 1 . 2]" 2
1004 1 38 ARG QB 1 39 THR H . . 3.830 2.482 2.239 2.769 . 0 0 "[ . 1 . 2]" 2
1005 1 44 LYS QB 1 44 LYS QD . . 3.310 2.208 2.061 2.476 . 0 0 "[ . 1 . 2]" 2
1006 1 44 LYS QB 1 45 PRO HD2 . . 4.700 3.795 3.059 4.205 . 0 0 "[ . 1 . 2]" 2
1007 1 44 LYS QB 1 46 TYR H . . 4.330 3.588 2.823 4.197 . 0 0 "[ . 1 . 2]" 2
1008 1 44 LYS QB 1 56 ARG QB . . 3.470 2.080 1.844 2.373 . 0 0 "[ . 1 . 2]" 2
1009 1 44 LYS QB 1 57 PHE H . . 4.260 2.764 2.157 3.601 . 0 0 "[ . 1 . 2]" 2
1010 1 44 LYS QE 1 44 LYS QG . . 3.110 2.191 2.027 2.621 . 0 0 "[ . 1 . 2]" 2
1011 1 44 LYS QG 1 58 ALA MB . . 3.810 2.588 2.023 3.702 . 0 0 "[ . 1 . 2]" 2
1012 1 44 LYS QE 1 58 ALA MB . . 4.800 3.649 2.385 4.806 0.006 4 0 "[ . 1 . 2]" 2
1013 1 45 PRO QG 1 46 TYR H . . 3.820 2.529 2.003 3.061 . 0 0 "[ . 1 . 2]" 2
1014 1 45 PRO QG 1 46 TYR QD . . 4.230 2.482 1.989 3.086 . 0 0 "[ . 1 . 2]" 2
1015 1 45 PRO QG 1 46 TYR QE . . 4.230 2.834 2.311 3.294 . 0 0 "[ . 1 . 2]" 2
1016 1 47 LYS H 1 47 LYS QB . . 3.190 2.675 2.274 3.020 . 0 0 "[ . 1 . 2]" 2
1017 1 47 LYS H 1 47 LYS QG . . 4.200 3.345 2.097 4.210 0.010 3 0 "[ . 1 . 2]" 2
1018 1 47 LYS HA 1 47 LYS QD . . 4.680 3.799 2.429 4.418 . 0 0 "[ . 1 . 2]" 2
1019 1 47 LYS HA 1 56 ARG QB . . 4.070 3.373 3.066 3.665 . 0 0 "[ . 1 . 2]" 2
1020 1 48 CYS H 1 56 ARG QG . . 4.430 3.510 3.149 3.924 . 0 0 "[ . 1 . 2]" 2
1021 1 50 TRP H 1 50 TRP QB . . 3.240 2.426 2.398 2.437 . 0 0 "[ . 1 . 2]" 2
1022 1 50 TRP H 1 53 CYS QB . . 4.440 3.252 3.009 3.512 . 0 0 "[ . 1 . 2]" 2
1023 1 50 TRP QB 1 53 CYS QB . . 3.440 1.959 1.868 2.110 . 0 0 "[ . 1 . 2]" 2
1024 1 50 TRP QB 1 67 TYR QE . . 4.210 2.934 2.268 3.394 . 0 0 "[ . 1 . 2]" 2
1025 1 50 TRP HD1 1 53 CYS QB . . 3.920 2.626 1.968 3.342 . 0 0 "[ . 1 . 2]" 2
1026 1 51 GLU H 1 51 GLU QB . . 3.090 2.294 2.168 2.544 . 0 0 "[ . 1 . 2]" 2
1027 1 51 GLU QB 1 53 CYS H . . 5.340 4.635 4.320 4.839 . 0 0 "[ . 1 . 2]" 2
1028 1 53 CYS QB 1 70 HIS HE1 . . 3.900 2.861 2.292 3.363 . 0 0 "[ . 1 . 2]" 2
1029 1 55 TRP H 1 55 TRP QB . . 3.090 2.234 2.148 2.304 . 0 0 "[ . 1 . 2]" 2
1030 1 55 TRP HA 1 56 ARG QB . . 5.340 4.279 4.100 4.397 . 0 0 "[ . 1 . 2]" 2
1031 1 55 TRP HA 1 56 ARG QG . . 5.340 3.583 3.314 4.538 . 0 0 "[ . 1 . 2]" 2
1032 1 55 TRP QB 1 56 ARG H . . 3.640 2.537 2.098 3.147 . 0 0 "[ . 1 . 2]" 2
1033 1 55 TRP QB 1 57 PHE HZ . . 4.630 3.452 2.869 3.824 . 0 0 "[ . 1 . 2]" 2
1034 1 55 TRP QB 1 66 HIS HE1 . . 4.630 3.737 3.002 4.590 . 0 0 "[ . 1 . 2]" 2
1035 1 56 ARG H 1 56 ARG QB . . 3.620 2.721 2.490 2.910 . 0 0 "[ . 1 . 2]" 2
1036 1 56 ARG HA 1 56 ARG QG . . 3.720 2.429 2.267 2.558 . 0 0 "[ . 1 . 2]" 2
1037 1 56 ARG QB 1 56 ARG QD . . 3.260 2.168 2.071 2.489 . 0 0 "[ . 1 . 2]" 2
1038 1 56 ARG QB 1 57 PHE H . . 3.420 2.344 2.025 2.692 . 0 0 "[ . 1 . 2]" 2
1039 1 56 ARG QG 1 57 PHE H . . 5.340 3.810 3.463 4.074 . 0 0 "[ . 1 . 2]" 2
1040 1 57 PHE HB3 1 62 GLU QG . . 4.230 3.648 2.789 4.234 0.004 15 0 "[ . 1 . 2]" 2
1041 1 59 ARG H 1 62 GLU QG . . 4.350 3.192 2.333 4.047 . 0 0 "[ . 1 . 2]" 2
1042 1 59 ARG HB2 1 59 ARG QD . . 3.360 2.610 2.162 3.373 0.013 15 0 "[ . 1 . 2]" 2
1043 1 59 ARG HB2 1 62 GLU QG . . 3.720 2.204 1.854 2.758 . 0 0 "[ . 1 . 2]" 2
1044 1 59 ARG QD 1 62 GLU QG . . 4.400 3.424 2.368 4.408 0.008 15 0 "[ . 1 . 2]" 2
1045 1 62 GLU H 1 62 GLU QG . . 3.250 2.257 1.911 2.728 . 0 0 "[ . 1 . 2]" 2
1046 1 62 GLU HA 1 62 GLU QG . . 3.370 2.652 2.226 2.948 . 0 0 "[ . 1 . 2]" 2
1047 1 62 GLU HA 1 65 ARG QB . . 3.590 3.266 2.952 3.591 0.001 18 0 "[ . 1 . 2]" 2
1048 1 64 THR HB 1 65 ARG QB . . 4.740 3.887 3.739 4.054 . 0 0 "[ . 1 . 2]" 2
1049 1 64 THR MG 1 68 ARG QG . . 4.730 3.016 2.503 3.397 . 0 0 "[ . 1 . 2]" 2
1050 1 65 ARG H 1 65 ARG QB . . 2.820 2.222 2.169 2.248 . 0 0 "[ . 1 . 2]" 2
1051 1 65 ARG H 1 65 ARG QG . . 4.110 3.969 3.890 4.051 . 0 0 "[ . 1 . 2]" 2
1052 1 65 ARG HA 1 65 ARG QG . . 3.450 2.457 2.203 2.979 . 0 0 "[ . 1 . 2]" 2
1053 1 65 ARG HA 1 65 ARG QD . . 4.580 3.461 1.986 4.194 . 0 0 "[ . 1 . 2]" 2
1054 1 65 ARG HA 1 68 ARG QG . . 4.070 2.860 2.107 3.672 . 0 0 "[ . 1 . 2]" 2
1055 1 65 ARG QB 1 65 ARG QD . . 3.250 2.242 2.024 2.588 . 0 0 "[ . 1 . 2]" 2
1056 1 65 ARG QB 1 66 HIS H . . 3.660 2.478 2.289 2.768 . 0 0 "[ . 1 . 2]" 2
1057 1 66 HIS HA 1 69 LYS QG . . 4.440 3.239 2.456 4.295 . 0 0 "[ . 1 . 2]" 2
1058 1 66 HIS HA 1 69 LYS QD . . 4.590 3.239 1.999 4.573 . 0 0 "[ . 1 . 2]" 2
1059 1 68 ARG H 1 68 ARG QG . . 3.450 2.318 1.911 2.586 . 0 0 "[ . 1 . 2]" 2
1060 1 69 LYS H 1 69 LYS QG . . 3.320 2.324 1.887 3.361 0.041 11 0 "[ . 1 . 2]" 2
1061 1 69 LYS H 1 69 LYS QD . . 4.610 3.534 1.986 4.400 . 0 0 "[ . 1 . 2]" 2
1062 1 69 LYS HA 1 69 LYS QG . . 3.350 2.474 2.178 2.952 . 0 0 "[ . 1 . 2]" 2
1063 1 69 LYS HA 1 69 LYS QD . . 4.620 3.521 1.998 4.209 . 0 0 "[ . 1 . 2]" 2
1064 1 69 LYS QG 1 70 HIS H . . 4.820 4.117 3.844 4.465 . 0 0 "[ . 1 . 2]" 2
1065 1 74 LYS HA 1 74 LYS QG . . 3.470 2.548 2.138 3.437 . 0 0 "[ . 1 . 2]" 2
1066 1 74 LYS QE 1 74 LYS QG . . 3.340 2.188 2.077 2.444 . 0 0 "[ . 1 . 2]" 2
1067 1 74 LYS QG 1 75 PRO QD . . 4.890 3.201 1.977 4.358 . 0 0 "[ . 1 . 2]" 2
1068 1 74 LYS QG 1 84 SER QB . . 5.180 2.531 1.937 3.562 . 0 0 "[ . 1 . 2]" 2
1069 1 74 LYS QD 1 75 PRO QD . . 5.210 3.800 1.882 5.232 0.022 13 0 "[ . 1 . 2]" 2
1070 1 74 LYS QD 1 84 SER QB . . 4.150 2.992 1.939 3.893 . 0 0 "[ . 1 . 2]" 2
1071 1 75 PRO QB 1 76 PHE H . . 3.920 3.481 3.144 3.728 . 0 0 "[ . 1 . 2]" 2
1072 1 75 PRO QG 1 76 PHE H . . 4.000 2.818 2.268 3.290 . 0 0 "[ . 1 . 2]" 2
1073 1 75 PRO QG 1 76 PHE QD . . 4.540 2.653 2.070 3.534 . 0 0 "[ . 1 . 2]" 2
1074 1 75 PRO QG 1 76 PHE QE . . 4.550 3.019 2.508 3.530 . 0 0 "[ . 1 . 2]" 2
1075 1 76 PHE H 1 76 PHE QB . . 3.260 2.701 2.423 2.932 . 0 0 "[ . 1 . 2]" 2
1076 1 76 PHE QB 1 85 PHE H . . 4.180 2.904 2.197 3.594 . 0 0 "[ . 1 . 2]" 2
1077 1 76 PHE QB 1 85 PHE HB2 . . 3.700 2.555 2.049 3.155 . 0 0 "[ . 1 . 2]" 2
1078 1 76 PHE QB 1 91 LEU H . . 5.220 4.620 4.202 4.853 . 0 0 "[ . 1 . 2]" 2
1079 1 76 PHE QB 1 91 LEU HB2 . . 4.110 2.811 2.458 3.167 . 0 0 "[ . 1 . 2]" 2
1080 1 76 PHE QB 1 91 LEU MD2 . . 3.430 2.146 1.973 2.604 . 0 0 "[ . 1 . 2]" 2
1081 1 76 PHE QE 1 88 SER QB . . 4.260 2.836 2.012 4.016 . 0 0 "[ . 1 . 2]" 2
1082 1 76 PHE HZ 1 88 SER QB . . 4.530 2.826 2.052 4.170 . 0 0 "[ . 1 . 2]" 2
1083 1 77 GLN HA 1 77 GLN QG . . 3.670 2.450 2.265 2.714 . 0 0 "[ . 1 . 2]" 2
1084 1 77 GLN HA 1 84 SER QB . . 4.450 4.174 3.685 4.470 0.020 20 0 "[ . 1 . 2]" 2
1085 1 77 GLN QG 1 82 ASN HA . . 3.870 2.929 2.222 3.649 . 0 0 "[ . 1 . 2]" 2
1086 1 77 GLN QE 1 82 ASN HA . . 5.050 3.697 2.258 4.830 . 0 0 "[ . 1 . 2]" 2
1087 1 77 GLN QE 1 82 ASN QB . . 4.500 3.162 2.370 3.973 . 0 0 "[ . 1 . 2]" 2
1088 1 78 CYS HB3 1 83 ARG QB . . 4.690 3.514 3.262 3.750 . 0 0 "[ . 1 . 2]" 2
1089 1 79 GLY QA 1 82 ASN H . . 5.080 3.755 3.486 4.164 . 0 0 "[ . 1 . 2]" 2
1090 1 83 ARG H 1 83 ARG QB . . 3.080 2.283 2.131 2.393 . 0 0 "[ . 1 . 2]" 2
1091 1 83 ARG H 1 83 ARG QG . . 3.750 3.208 2.755 3.824 0.074 20 0 "[ . 1 . 2]" 2
1092 1 83 ARG HA 1 83 ARG QG . . 3.620 2.304 2.173 2.670 . 0 0 "[ . 1 . 2]" 2
1093 1 83 ARG HA 1 83 ARG QD . . 4.560 3.958 3.269 4.184 . 0 0 "[ . 1 . 2]" 2
1094 1 83 ARG QB 1 83 ARG QD . . 3.240 2.143 2.030 2.313 . 0 0 "[ . 1 . 2]" 2
1095 1 83 ARG QB 1 84 SER H . . 3.650 2.304 1.975 3.443 . 0 0 "[ . 1 . 2]" 2
1096 1 83 ARG QB 1 85 PHE QE . . 4.060 2.798 2.164 3.489 . 0 0 "[ . 1 . 2]" 2
1097 1 83 ARG QB 1 85 PHE HZ . . 4.350 2.970 2.086 3.603 . 0 0 "[ . 1 . 2]" 2
1098 1 83 ARG QB 1 94 HIS HE1 . . 4.510 4.250 2.961 4.511 0.001 9 0 "[ . 1 . 2]" 2
1099 1 83 ARG QG 1 94 HIS HE1 . . 5.280 4.808 2.533 5.260 . 0 0 "[ . 1 . 2]" 2
1100 1 83 ARG QD 1 85 PHE HZ . . 4.300 3.311 2.236 4.149 . 0 0 "[ . 1 . 2]" 2
1101 1 83 ARG QD 1 94 HIS HE1 . . 3.950 3.570 3.090 3.958 0.008 19 0 "[ . 1 . 2]" 2
1102 1 84 SER H 1 84 SER QB . . 3.510 2.824 2.404 3.167 . 0 0 "[ . 1 . 2]" 2
1103 1 84 SER QB 1 85 PHE H . . 3.460 2.824 2.567 3.383 . 0 0 "[ . 1 . 2]" 2
1104 1 86 SER QB 1 87 ARG H . . 3.990 3.060 2.324 4.025 0.035 11 0 "[ . 1 . 2]" 2
1105 1 87 ARG H 1 87 ARG QB . . 3.340 2.496 2.242 2.878 . 0 0 "[ . 1 . 2]" 2
1106 1 87 ARG H 1 87 ARG QG . . 3.690 2.984 2.311 3.651 . 0 0 "[ . 1 . 2]" 2
1107 1 87 ARG HA 1 87 ARG QG . . 3.580 2.403 2.174 2.980 . 0 0 "[ . 1 . 2]" 2
1108 1 87 ARG QB 1 87 ARG QD . . 3.300 2.218 2.081 2.504 . 0 0 "[ . 1 . 2]" 2
1109 1 87 ARG QB 1 90 HIS H . . 3.170 2.704 2.332 2.932 . 0 0 "[ . 1 . 2]" 2
1110 1 87 ARG QB 1 90 HIS HB2 . . 4.710 2.788 1.975 3.625 . 0 0 "[ . 1 . 2]" 2
1111 1 87 ARG QG 1 90 HIS H . . 5.110 4.764 4.372 5.060 . 0 0 "[ . 1 . 2]" 2
1112 1 87 ARG QD 1 90 HIS HE1 . . 4.770 3.483 2.281 4.753 . 0 0 "[ . 1 . 2]" 2
1113 1 88 SER QB 1 90 HIS H . . 5.340 4.778 4.376 5.263 . 0 0 "[ . 1 . 2]" 2
1114 1 89 ASP QB 1 90 HIS H . . 3.900 2.761 2.439 3.484 . 0 0 "[ . 1 . 2]" 2
1115 1 90 HIS HA 1 93 LEU QB . . 3.600 3.034 2.779 3.435 . 0 0 "[ . 1 . 2]" 2
1116 1 90 HIS HA 1 93 LEU QD . . 4.030 3.568 3.116 4.044 0.014 17 0 "[ . 1 . 2]" 2
1117 1 90 HIS HD2 1 93 LEU QD . . 4.480 3.917 3.248 4.469 . 0 0 "[ . 1 . 2]" 2
1118 1 91 LEU H 1 93 LEU QB . . 5.340 5.075 4.735 5.316 . 0 0 "[ . 1 . 2]" 2
1119 1 91 LEU HG 1 95 MET QG . . 4.130 3.051 2.394 3.651 . 0 0 "[ . 1 . 2]" 2
1120 1 91 LEU MD1 1 95 MET QG . . 3.750 2.867 2.192 3.584 . 0 0 "[ . 1 . 2]" 2
1121 1 92 ALA H 1 93 LEU QB . . 5.170 4.616 4.419 4.794 . 0 0 "[ . 1 . 2]" 2
1122 1 92 ALA HA 1 95 MET QG . . 3.950 2.895 2.203 3.301 . 0 0 "[ . 1 . 2]" 2
1123 1 93 LEU H 1 93 LEU QB . . 2.760 2.169 2.103 2.229 . 0 0 "[ . 1 . 2]" 2
1124 1 93 LEU H 1 93 LEU QD . . 4.060 3.264 1.912 3.720 . 0 0 "[ . 1 . 2]" 2
1125 1 93 LEU HA 1 93 LEU QD . . 3.110 2.527 1.989 3.101 . 0 0 "[ . 1 . 2]" 2
1126 1 93 LEU HA 1 96 LYS QG . . 4.300 2.943 2.181 4.354 0.054 3 0 "[ . 1 . 2]" 2
1127 1 93 LEU HA 1 96 LYS QE . . 4.560 3.874 2.385 4.549 . 0 0 "[ . 1 . 2]" 2
1128 1 93 LEU QB 1 93 LEU QD . . 2.860 1.852 1.771 1.938 . 0 0 "[ . 1 . 2]" 2
1129 1 93 LEU QB 1 94 HIS H . . 3.270 2.652 2.120 3.100 . 0 0 "[ . 1 . 2]" 2
1130 1 93 LEU QB 1 95 MET H . . 5.340 4.799 4.454 4.985 . 0 0 "[ . 1 . 2]" 2
1131 1 93 LEU QD 1 94 HIS H . . 4.540 3.893 2.903 4.230 . 0 0 "[ . 1 . 2]" 2
1132 1 94 HIS HA 1 97 ARG QB . . 4.350 3.277 2.190 3.956 . 0 0 "[ . 1 . 2]" 2
1133 1 95 MET H 1 95 MET QG . . 3.240 2.435 2.079 2.736 . 0 0 "[ . 1 . 2]" 2
1134 1 95 MET H 1 96 LYS QG . . 5.340 4.322 3.896 4.900 . 0 0 "[ . 1 . 2]" 2
1135 1 95 MET HA 1 95 MET QG . . 3.700 2.653 2.204 3.027 . 0 0 "[ . 1 . 2]" 2
1136 1 95 MET QG 1 96 LYS H . . 5.040 4.160 4.011 4.330 . 0 0 "[ . 1 . 2]" 2
1137 1 96 LYS H 1 96 LYS QB . . 2.980 2.507 2.347 2.649 . 0 0 "[ . 1 . 2]" 2
1138 1 96 LYS H 1 96 LYS QG . . 3.070 2.128 1.884 2.468 . 0 0 "[ . 1 . 2]" 2
1139 1 96 LYS H 1 96 LYS QE . . 5.340 4.356 2.797 4.906 . 0 0 "[ . 1 . 2]" 2
1140 1 96 LYS HA 1 96 LYS QG . . 3.390 2.859 2.250 3.372 . 0 0 "[ . 1 . 2]" 2
1141 1 96 LYS HA 1 96 LYS QE . . 5.340 4.366 1.950 5.371 0.031 3 0 "[ . 1 . 2]" 2
1142 1 96 LYS HA 1 99 GLN QB . . 4.170 3.212 2.159 4.170 0.000 7 0 "[ . 1 . 2]" 2
1143 1 96 LYS QB 1 96 LYS QD . . 3.470 2.165 2.010 2.435 . 0 0 "[ . 1 . 2]" 2
1144 1 96 LYS QB 1 97 ARG H . . 3.620 2.851 2.349 3.605 . 0 0 "[ . 1 . 2]" 2
1145 1 96 LYS QG 1 97 ARG H . . 5.160 3.395 1.879 4.249 . 0 0 "[ . 1 . 2]" 2
1146 1 97 ARG H 1 97 ARG QB . . 2.860 2.188 2.126 2.254 . 0 0 "[ . 1 . 2]" 2
1147 1 97 ARG H 1 97 ARG QG . . 4.190 3.625 2.813 4.058 . 0 0 "[ . 1 . 2]" 2
1148 1 97 ARG HA 1 97 ARG QG . . 3.630 2.502 2.137 2.987 . 0 0 "[ . 1 . 2]" 2
1149 1 97 ARG HA 1 97 ARG QD . . 3.870 2.759 1.981 3.990 0.120 18 0 "[ . 1 . 2]" 2
1150 1 97 ARG QB 1 98 HIS H . . 3.700 2.500 2.249 2.932 . 0 0 "[ . 1 . 2]" 2
1151 1 99 GLN QB 1 100 ASN H . . 3.950 3.150 2.081 3.983 0.033 5 0 "[ . 1 . 2]" 2
1152 1 100 ASN H 1 100 ASN QB . . 3.610 2.501 2.150 3.017 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 1281.601
_Distance_constraint_stats_list.Viol_max 1.256
_Distance_constraint_stats_list.Viol_rms 0.3943
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4005
_Distance_constraint_stats_list.Viol_average_violations_only 0.5477
_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 18 CYS 8.968 1.227 14 8 "[*- ** * * * +. 2]"
1 21 PRO 23.101 1.256 7 20 [******+***********-*]
1 22 GLY 23.101 1.256 7 20 [******+***********-*]
1 23 CYS 10.590 0.634 18 16 "[******-* *** *.**+ *]"
1 24 THR 19.559 1.227 14 16 "[******-* *** +.*** *]"
1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.002 0.002 18 0 "[ . 1 . 2]"
1 50 TRP 0.002 0.002 18 0 "[ . 1 . 2]"
1 51 GLU 8.854 0.558 9 6 "[ . * +1 ** -*]"
1 52 GLY 8.854 0.558 9 6 "[ . * +1 ** -*]"
1 78 CYS 11.430 0.619 17 20 [*-**************+***]
1 79 GLY 11.430 0.619 17 20 [*-**************+***]
1 98 HIS 1.134 0.071 18 0 "[ . 1 . 2]"
1 99 GLN 1.134 0.071 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 78 CYS H 1 79 GLY H . . 4.000 4.571 4.529 4.619 0.619 17 20 [*-**************+***] 3
2 1 21 PRO QG 1 22 GLY H . . 3.500 4.655 4.255 4.756 1.256 7 20 [******+***********-*] 3
3 1 98 HIS HA 1 99 GLN H . . 3.500 3.557 3.510 3.571 0.071 18 0 "[ . 1 . 2]" 3
4 1 51 GLU H 1 52 GLY H . . 4.000 4.443 4.292 4.558 0.558 9 6 "[ . * +1 ** -*]" 3
5 1 18 CYS QB 1 24 THR HA . . 4.000 4.434 3.882 5.227 1.227 14 8 "[*- ** * * * +. 2]" 3
6 1 23 CYS H 1 24 THR H . . 4.000 4.530 4.074 4.634 0.634 18 16 "[******-* *** *.**+ *]" 3
7 1 48 CYS HB3 1 50 TRP H . . 4.500 3.370 2.967 3.686 . 0 0 "[ . 1 . 2]" 3
8 1 49 THR HA 1 50 TRP H . . 2.800 2.754 2.702 2.802 0.002 18 0 "[ . 1 . 2]" 3
stop_
save_
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