NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509165 |
2yt9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yt9
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 194
_Distance_constraint_stats_list.Viol_total 17.806
_Distance_constraint_stats_list.Viol_max 0.030
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0046
_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 10 CYS 0.009 0.003 19 0 "[ . 1 . 2]"
1 13 CYS 0.074 0.030 6 0 "[ . 1 . 2]"
1 26 HIS 0.042 0.014 13 0 "[ . 1 . 2]"
1 30 HIS 0.008 0.002 18 0 "[ . 1 . 2]"
1 38 CYS 0.072 0.011 8 0 "[ . 1 . 2]"
1 41 CYS 0.048 0.009 8 0 "[ . 1 . 2]"
1 54 HIS 0.019 0.008 1 0 "[ . 1 . 2]"
1 58 HIS 0.048 0.010 1 0 "[ . 1 . 2]"
1 68 CYS 0.307 0.021 17 0 "[ . 1 . 2]"
1 71 CYS 0.252 0.021 20 0 "[ . 1 . 2]"
1 84 HIS 0.102 0.022 6 0 "[ . 1 . 2]"
1 89 HIS 0.060 0.006 7 0 "[ . 1 . 2]"
2 1 ZN 0.100 0.030 6 0 "[ . 1 . 2]"
3 1 ZN 0.082 0.011 8 0 "[ . 1 . 2]"
4 1 ZN 0.559 0.022 6 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 10 CYS SG 2 1 ZN ZN . 2.190 2.390 2.335 2.252 2.388 . 0 0 "[ . 1 . 2]" 1
2 1 10 CYS CB 2 1 ZN ZN . 3.250 3.510 3.401 3.267 3.484 . 0 0 "[ . 1 . 2]" 1
3 1 13 CYS SG 2 1 ZN ZN . 2.190 2.390 2.248 2.185 2.380 0.005 1 0 "[ . 1 . 2]" 1
4 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.478 3.279 3.540 0.030 6 0 "[ . 1 . 2]" 1
5 1 26 HIS NE2 2 1 ZN ZN . . 2.100 2.053 1.960 2.114 0.014 13 0 "[ . 1 . 2]" 1
6 1 30 HIS NE2 2 1 ZN ZN . . 2.100 1.980 1.910 2.101 0.001 8 0 "[ . 1 . 2]" 1
7 1 10 CYS SG 1 13 CYS SG . 3.560 3.960 3.647 3.599 3.890 . 0 0 "[ . 1 . 2]" 1
8 1 10 CYS SG 1 26 HIS NE2 . 3.320 3.720 3.706 3.654 3.723 0.003 19 0 "[ . 1 . 2]" 1
9 1 10 CYS SG 1 30 HIS NE2 . 3.320 3.720 3.697 3.654 3.721 0.001 19 0 "[ . 1 . 2]" 1
10 1 13 CYS SG 1 26 HIS NE2 . 3.320 3.720 3.412 3.318 3.689 0.002 13 0 "[ . 1 . 2]" 1
11 1 13 CYS SG 1 30 HIS NE2 . 3.320 3.720 3.557 3.322 3.722 0.002 18 0 "[ . 1 . 2]" 1
12 1 26 HIS NE2 1 30 HIS NE2 . 3.000 3.600 3.032 2.998 3.177 0.002 5 0 "[ . 1 . 2]" 1
13 1 38 CYS SG 3 1 ZN ZN . 2.190 2.390 2.349 2.244 2.400 0.010 20 0 "[ . 1 . 2]" 1
14 1 38 CYS CB 3 1 ZN ZN . 3.250 3.510 3.264 3.239 3.322 0.011 8 0 "[ . 1 . 2]" 1
15 1 41 CYS SG 3 1 ZN ZN . 2.190 2.390 2.274 2.204 2.355 . 0 0 "[ . 1 . 2]" 1
16 1 41 CYS CB 3 1 ZN ZN . 3.250 3.510 3.319 3.241 3.470 0.009 8 0 "[ . 1 . 2]" 1
17 1 54 HIS NE2 3 1 ZN ZN . . 2.100 2.012 1.892 2.097 0.008 1 0 "[ . 1 . 2]" 1
18 1 58 HIS NE2 3 1 ZN ZN . . 2.100 1.939 1.890 2.105 0.010 1 0 "[ . 1 . 2]" 1
19 1 38 CYS SG 1 41 CYS SG . 3.560 3.960 3.961 3.960 3.965 0.005 10 0 "[ . 1 . 2]" 1
20 1 38 CYS SG 1 54 HIS NE2 . 3.320 3.720 3.569 3.430 3.721 0.001 2 0 "[ . 1 . 2]" 1
21 1 38 CYS SG 1 58 HIS NE2 . 3.320 3.720 3.619 3.321 3.723 0.003 17 0 "[ . 1 . 2]" 1
22 1 41 CYS SG 1 54 HIS NE2 . 3.320 3.720 3.394 3.319 3.544 0.001 10 0 "[ . 1 . 2]" 1
23 1 41 CYS SG 1 58 HIS NE2 . 3.320 3.720 3.339 3.317 3.463 0.003 16 0 "[ . 1 . 2]" 1
24 1 54 HIS NE2 1 58 HIS NE2 . 3.000 3.600 3.080 2.998 3.599 0.002 13 0 "[ . 1 . 2]" 1
25 1 68 CYS SG 4 1 ZN ZN . 2.190 2.390 2.398 2.386 2.407 0.017 12 0 "[ . 1 . 2]" 1
26 1 68 CYS CB 4 1 ZN ZN . 3.250 3.510 3.243 3.229 3.252 0.021 17 0 "[ . 1 . 2]" 1
27 1 71 CYS SG 4 1 ZN ZN . 2.190 2.390 2.323 2.242 2.396 0.006 4 0 "[ . 1 . 2]" 1
28 1 71 CYS CB 4 1 ZN ZN . 3.250 3.510 3.518 3.506 3.531 0.021 20 0 "[ . 1 . 2]" 1
29 1 84 HIS NE2 4 1 ZN ZN . . 2.100 2.101 2.088 2.122 0.022 6 0 "[ . 1 . 2]" 1
30 1 89 HIS NE2 4 1 ZN ZN . . 2.100 1.932 1.894 2.098 0.006 7 0 "[ . 1 . 2]" 1
31 1 68 CYS SG 1 71 CYS SG . 3.560 3.960 3.922 3.823 3.961 0.001 7 0 "[ . 1 . 2]" 1
32 1 68 CYS SG 1 84 HIS NE2 . 3.320 3.720 3.678 3.561 3.722 0.002 2 0 "[ . 1 . 2]" 1
33 1 68 CYS SG 1 89 HIS NE2 . 3.320 3.720 3.423 3.317 3.578 0.003 3 0 "[ . 1 . 2]" 1
34 1 71 CYS SG 1 84 HIS NE2 . 3.320 3.720 3.318 3.316 3.321 0.004 17 0 "[ . 1 . 2]" 1
35 1 71 CYS SG 1 89 HIS NE2 . 3.320 3.720 3.722 3.719 3.726 0.006 19 0 "[ . 1 . 2]" 1
36 1 84 HIS NE2 1 89 HIS NE2 . 3.000 3.600 3.339 3.149 3.541 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1452
_Distance_constraint_stats_list.Viol_count 763
_Distance_constraint_stats_list.Viol_total 147.551
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0097
_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 0.002 0.002 8 0 "[ . 1 . 2]"
1 8 VAL 0.008 0.002 8 0 "[ . 1 . 2]"
1 9 ALA 0.013 0.007 19 0 "[ . 1 . 2]"
1 10 CYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.006 0.003 19 0 "[ . 1 . 2]"
1 13 CYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 14 GLY 0.001 0.001 8 0 "[ . 1 . 2]"
1 15 LYS 0.011 0.003 19 0 "[ . 1 . 2]"
1 16 ILE 0.148 0.031 16 0 "[ . 1 . 2]"
1 17 PHE 0.121 0.031 16 0 "[ . 1 . 2]"
1 18 ARG 0.013 0.009 19 0 "[ . 1 . 2]"
1 19 ASP 0.020 0.009 19 0 "[ . 1 . 2]"
1 20 VAL 0.008 0.005 2 0 "[ . 1 . 2]"
1 21 TYR 0.005 0.005 2 0 "[ . 1 . 2]"
1 22 HIS 0.013 0.007 8 0 "[ . 1 . 2]"
1 23 LEU 0.009 0.002 19 0 "[ . 1 . 2]"
1 24 ASN 0.009 0.004 8 0 "[ . 1 . 2]"
1 25 ARG 0.013 0.007 8 0 "[ . 1 . 2]"
1 26 HIS 0.007 0.002 19 0 "[ . 1 . 2]"
1 27 LYS 0.043 0.015 8 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.004 0.003 8 0 "[ . 1 . 2]"
1 30 HIS 0.016 0.015 8 0 "[ . 1 . 2]"
1 33 GLU 0.085 0.039 14 0 "[ . 1 . 2]"
1 34 LYS 0.242 0.059 10 0 "[ . 1 . 2]"
1 35 PRO 0.112 0.020 14 0 "[ . 1 . 2]"
1 36 TYR 0.177 0.053 10 0 "[ . 1 . 2]"
1 37 SER 0.174 0.030 20 0 "[ . 1 . 2]"
1 38 CYS 0.097 0.013 20 0 "[ . 1 . 2]"
1 39 PRO 0.176 0.030 20 0 "[ . 1 . 2]"
1 40 VAL 0.020 0.004 14 0 "[ . 1 . 2]"
1 41 CYS 0.002 0.002 13 0 "[ . 1 . 2]"
1 42 GLY 0.013 0.002 4 0 "[ . 1 . 2]"
1 43 LEU 0.275 0.063 20 0 "[ . 1 . 2]"
1 44 ARG 0.379 0.063 20 0 "[ . 1 . 2]"
1 45 PHE 0.231 0.025 20 0 "[ . 1 . 2]"
1 46 LYS 0.049 0.020 10 0 "[ . 1 . 2]"
1 47 ARG 0.093 0.026 7 0 "[ . 1 . 2]"
1 48 LYS 0.085 0.053 10 0 "[ . 1 . 2]"
1 49 ASP 0.026 0.014 16 0 "[ . 1 . 2]"
1 50 ARG 0.134 0.080 7 0 "[ . 1 . 2]"
1 51 MET 0.340 0.014 9 0 "[ . 1 . 2]"
1 52 SER 0.214 0.014 9 0 "[ . 1 . 2]"
1 53 TYR 0.322 0.023 8 0 "[ . 1 . 2]"
1 54 HIS 0.329 0.023 8 0 "[ . 1 . 2]"
1 55 VAL 0.093 0.013 20 0 "[ . 1 . 2]"
1 56 ARG 0.155 0.018 10 0 "[ . 1 . 2]"
1 57 SER 0.152 0.018 10 0 "[ . 1 . 2]"
1 58 HIS 0.016 0.004 14 0 "[ . 1 . 2]"
1 59 ASP 0.002 0.002 13 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.034 0.034 11 0 "[ . 1 . 2]"
1 63 GLY 0.067 0.034 11 0 "[ . 1 . 2]"
1 64 LYS 0.124 0.013 5 0 "[ . 1 . 2]"
1 65 PRO 0.003 0.001 5 0 "[ . 1 . 2]"
1 66 TYR 0.160 0.012 5 0 "[ . 1 . 2]"
1 67 ILE 3.338 0.123 14 0 "[ . 1 . 2]"
1 68 CYS 3.003 0.123 14 0 "[ . 1 . 2]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.319 0.021 11 0 "[ . 1 . 2]"
1 73 LYS 0.247 0.018 8 0 "[ . 1 . 2]"
1 74 GLY 0.416 0.027 5 0 "[ . 1 . 2]"
1 75 PHE 0.130 0.012 5 0 "[ . 1 . 2]"
1 76 SER 0.084 0.013 5 0 "[ . 1 . 2]"
1 77 ARG 0.028 0.004 14 0 "[ . 1 . 2]"
1 78 PRO 0.071 0.022 10 0 "[ . 1 . 2]"
1 79 ASP 0.008 0.006 11 0 "[ . 1 . 2]"
1 80 HIS 0.087 0.022 10 0 "[ . 1 . 2]"
1 81 LEU 0.083 0.027 10 0 "[ . 1 . 2]"
1 82 ASN 0.524 0.185 14 0 "[ . 1 . 2]"
1 83 GLY 0.173 0.038 14 0 "[ . 1 . 2]"
1 84 HIS 0.280 0.015 14 0 "[ . 1 . 2]"
1 85 ILE 0.096 0.016 11 0 "[ . 1 . 2]"
1 86 LYS 0.070 0.009 12 0 "[ . 1 . 2]"
1 87 GLN 0.068 0.006 15 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 HIS 0.085 0.012 20 0 "[ . 1 . 2]"
1 90 SER 0.050 0.012 20 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 68 CYS H 1 74 GLY H . . 4.480 2.950 2.900 2.960 . 0 0 "[ . 1 . 2]" 2
2 1 68 CYS H 1 75 PHE QD . . 4.840 3.645 3.507 3.801 . 0 0 "[ . 1 . 2]" 2
3 1 68 CYS H 1 75 PHE QE . . 4.620 3.941 3.508 4.379 . 0 0 "[ . 1 . 2]" 2
4 1 68 CYS H 1 74 GLY HA2 . . 4.190 3.590 3.500 3.652 . 0 0 "[ . 1 . 2]" 2
5 1 67 ILE HA 1 68 CYS H . . 3.030 2.248 2.239 2.254 . 0 0 "[ . 1 . 2]" 2
6 1 68 CYS H 1 68 CYS HB3 . . 3.250 2.815 2.811 2.818 . 0 0 "[ . 1 . 2]" 2
7 1 67 ILE HB 1 68 CYS H . . 5.040 2.798 2.781 2.828 . 0 0 "[ . 1 . 2]" 2
8 1 67 ILE MG 1 68 CYS H . . 3.750 3.692 3.687 3.698 . 0 0 "[ . 1 . 2]" 2
9 1 38 CYS H 1 45 PHE QE . . 4.420 3.286 2.912 4.217 . 0 0 "[ . 1 . 2]" 2
10 1 38 CYS H 1 38 CYS HB3 . . 3.180 2.617 2.587 2.644 . 0 0 "[ . 1 . 2]" 2
11 1 38 CYS H 1 38 CYS HB2 . . 3.380 2.542 2.515 2.582 . 0 0 "[ . 1 . 2]" 2
12 1 38 CYS H 1 43 LEU HB3 . . 4.940 4.526 4.357 4.930 . 0 0 "[ . 1 . 2]" 2
13 1 38 CYS H 1 44 ARG HG3 . . 5.360 4.825 4.383 5.087 . 0 0 "[ . 1 . 2]" 2
14 1 38 CYS H 1 39 PRO HD2 . . 5.090 4.821 4.819 4.824 . 0 0 "[ . 1 . 2]" 2
15 1 8 VAL HA 1 9 ALA H . . 2.610 2.265 2.148 2.475 . 0 0 "[ . 1 . 2]" 2
16 1 8 VAL HB 1 9 ALA H . . 4.230 3.342 2.227 4.185 . 0 0 "[ . 1 . 2]" 2
17 1 8 VAL MG2 1 9 ALA H . . 4.370 3.106 2.151 4.103 . 0 0 "[ . 1 . 2]" 2
18 1 66 TYR QD 1 67 ILE H . . 4.540 3.996 3.953 4.061 . 0 0 "[ . 1 . 2]" 2
19 1 67 ILE H 1 67 ILE HB . . 3.850 3.790 3.776 3.802 . 0 0 "[ . 1 . 2]" 2
20 1 67 ILE H 1 67 ILE HG12 . . 3.830 2.438 2.425 2.454 . 0 0 "[ . 1 . 2]" 2
21 1 67 ILE H 1 67 ILE HG13 . . 3.830 3.812 3.788 3.837 0.007 18 0 "[ . 1 . 2]" 2
22 1 67 ILE H 1 67 ILE MG . . 3.990 3.033 2.998 3.065 . 0 0 "[ . 1 . 2]" 2
23 1 8 VAL H 1 17 PHE H . . 3.560 3.088 2.727 3.398 . 0 0 "[ . 1 . 2]" 2
24 1 16 ILE HA 1 17 PHE H . . 2.880 2.229 2.164 2.263 . 0 0 "[ . 1 . 2]" 2
25 1 17 PHE H 1 17 PHE HB2 . . 3.500 2.645 2.570 2.717 . 0 0 "[ . 1 . 2]" 2
26 1 16 ILE HB 1 17 PHE H . . 4.270 3.892 3.767 4.119 . 0 0 "[ . 1 . 2]" 2
27 1 16 ILE HG13 1 17 PHE H . . 5.380 5.028 4.293 5.302 . 0 0 "[ . 1 . 2]" 2
28 1 38 CYS H 1 43 LEU H . . 4.230 3.659 3.090 3.848 . 0 0 "[ . 1 . 2]" 2
29 1 41 CYS H 1 43 LEU H . . 4.800 4.670 4.539 4.742 . 0 0 "[ . 1 . 2]" 2
30 1 38 CYS HB3 1 43 LEU H . . 3.410 3.063 2.467 3.324 . 0 0 "[ . 1 . 2]" 2
31 1 38 CYS HB2 1 43 LEU H . . 4.230 4.117 3.623 4.234 0.004 9 0 "[ . 1 . 2]" 2
32 1 43 LEU H 1 43 LEU HB3 . . 3.690 3.465 3.413 3.538 . 0 0 "[ . 1 . 2]" 2
33 1 43 LEU H 1 43 LEU HG . . 3.900 3.398 3.189 3.707 . 0 0 "[ . 1 . 2]" 2
34 1 43 LEU H 1 43 LEU HB2 . . 3.360 2.152 2.099 2.256 . 0 0 "[ . 1 . 2]" 2
35 1 43 LEU H 1 43 LEU MD1 . . 4.410 2.880 2.456 3.273 . 0 0 "[ . 1 . 2]" 2
36 1 10 CYS H 1 16 ILE HA . . 3.620 3.392 3.036 3.529 . 0 0 "[ . 1 . 2]" 2
37 1 10 CYS H 1 10 CYS HB3 . . 3.190 2.813 2.618 2.942 . 0 0 "[ . 1 . 2]" 2
38 1 10 CYS H 1 23 LEU MD1 . . 3.880 3.483 3.224 3.741 . 0 0 "[ . 1 . 2]" 2
39 1 21 TYR H 1 22 HIS H . . 3.320 2.730 2.637 2.936 . 0 0 "[ . 1 . 2]" 2
40 1 21 TYR H 1 21 TYR QD . . 4.130 2.449 1.951 2.974 . 0 0 "[ . 1 . 2]" 2
41 1 19 ASP QB 1 21 TYR H . . 3.040 2.560 2.323 2.869 . 0 0 "[ . 1 . 2]" 2
42 1 20 VAL HB 1 21 TYR H . . 4.240 2.980 2.646 3.942 . 0 0 "[ . 1 . 2]" 2
43 1 20 VAL MG1 1 21 TYR H . . 4.340 3.742 3.540 4.033 . 0 0 "[ . 1 . 2]" 2
44 1 20 VAL MG2 1 21 TYR H . . 4.340 3.574 1.934 3.914 . 0 0 "[ . 1 . 2]" 2
45 1 73 LYS H 1 73 LYS HB3 . . 3.630 2.434 2.426 2.451 . 0 0 "[ . 1 . 2]" 2
46 1 68 CYS H 1 73 LYS H . . 4.540 2.704 2.555 3.051 . 0 0 "[ . 1 . 2]" 2
47 1 22 HIS H 1 23 LEU H . . 3.440 2.491 2.339 2.698 . 0 0 "[ . 1 . 2]" 2
48 1 19 ASP H 1 23 LEU H . . 5.060 4.905 4.686 5.060 . 0 0 "[ . 1 . 2]" 2
49 1 17 PHE HB3 1 23 LEU H . . 4.170 3.756 3.473 4.004 . 0 0 "[ . 1 . 2]" 2
50 1 17 PHE HB2 1 23 LEU H . . 4.410 4.299 3.975 4.411 0.001 19 0 "[ . 1 . 2]" 2
51 1 23 LEU H 1 23 LEU HB3 . . 3.390 2.413 2.336 2.564 . 0 0 "[ . 1 . 2]" 2
52 1 23 LEU H 1 23 LEU HB2 . . 3.380 2.644 2.442 2.789 . 0 0 "[ . 1 . 2]" 2
53 1 11 GLU HB3 1 12 ILE H . . 5.010 4.551 4.525 4.581 . 0 0 "[ . 1 . 2]" 2
54 1 12 ILE H 1 14 GLY H . . 4.280 2.901 2.684 3.072 . 0 0 "[ . 1 . 2]" 2
55 1 12 ILE H 1 13 CYS H . . 3.170 1.936 1.899 2.102 . 0 0 "[ . 1 . 2]" 2
56 1 10 CYS HB3 1 12 ILE H . . 4.900 2.982 2.733 3.223 . 0 0 "[ . 1 . 2]" 2
57 1 10 CYS HB2 1 12 ILE H . . 5.150 4.344 4.258 4.396 . 0 0 "[ . 1 . 2]" 2
58 1 12 ILE H 1 13 CYS HB3 . . 5.500 5.016 4.927 5.094 . 0 0 "[ . 1 . 2]" 2
59 1 10 CYS H 1 15 LYS H . . 4.330 3.238 2.535 4.330 . 0 0 "[ . 1 . 2]" 2
60 1 15 LYS H 1 15 LYS HB2 . . 2.860 2.284 2.197 2.385 . 0 0 "[ . 1 . 2]" 2
61 1 15 LYS H 1 15 LYS HB3 . . 3.760 3.535 3.452 3.622 . 0 0 "[ . 1 . 2]" 2
62 1 54 HIS H 1 55 VAL H . . 3.380 2.464 2.260 2.540 . 0 0 "[ . 1 . 2]" 2
63 1 55 VAL H 1 56 ARG H . . 3.290 2.790 2.587 2.899 . 0 0 "[ . 1 . 2]" 2
64 1 52 SER HA 1 55 VAL H . . 4.090 3.881 3.797 3.972 . 0 0 "[ . 1 . 2]" 2
65 1 54 HIS HB3 1 55 VAL H . . 3.480 2.522 2.351 2.991 . 0 0 "[ . 1 . 2]" 2
66 1 53 TYR QB 1 55 VAL H . . 5.270 5.092 4.754 5.216 . 0 0 "[ . 1 . 2]" 2
67 1 55 VAL H 1 55 VAL HB . . 3.270 2.529 2.491 2.548 . 0 0 "[ . 1 . 2]" 2
68 1 84 HIS H 1 84 HIS HD2 . . 5.360 4.858 4.683 4.925 . 0 0 "[ . 1 . 2]" 2
69 1 84 HIS H 1 84 HIS HB3 . . 3.040 2.375 2.297 2.413 . 0 0 "[ . 1 . 2]" 2
70 1 84 HIS H 1 84 HIS HB2 . . 3.170 2.705 2.657 2.852 . 0 0 "[ . 1 . 2]" 2
71 1 80 HIS HA 1 84 HIS H . . 4.700 4.674 4.527 4.703 0.003 1 0 "[ . 1 . 2]" 2
72 1 84 HIS H 1 85 ILE HB . . 5.180 4.933 4.714 5.064 . 0 0 "[ . 1 . 2]" 2
73 1 40 VAL H 1 41 CYS H . . 3.140 2.625 2.381 2.815 . 0 0 "[ . 1 . 2]" 2
74 1 39 PRO HD2 1 40 VAL H . . 3.950 2.709 2.646 2.837 . 0 0 "[ . 1 . 2]" 2
75 1 38 CYS HB3 1 40 VAL H . . 4.590 3.609 3.257 3.981 . 0 0 "[ . 1 . 2]" 2
76 1 39 PRO HG2 1 40 VAL H . . 3.910 2.682 2.359 3.038 . 0 0 "[ . 1 . 2]" 2
77 1 40 VAL H 1 40 VAL MG1 . . 4.030 3.799 3.776 3.844 . 0 0 "[ . 1 . 2]" 2
78 1 47 ARG QG 1 50 ARG H . . 3.650 2.584 2.151 2.942 . 0 0 "[ . 1 . 2]" 2
79 1 44 ARG H 1 44 ARG HD2 . . 4.710 3.852 2.844 4.710 . 12 0 "[ . 1 . 2]" 2
80 1 44 ARG H 1 44 ARG HB2 . . 3.260 2.569 2.457 2.645 . 0 0 "[ . 1 . 2]" 2
81 1 43 LEU HB2 1 44 ARG H . . 3.900 3.823 3.640 3.904 0.004 7 0 "[ . 1 . 2]" 2
82 1 52 SER H 1 53 TYR H . . 3.820 2.654 2.573 2.793 . 0 0 "[ . 1 . 2]" 2
83 1 51 MET H 1 53 TYR H . . 5.010 4.369 4.123 4.689 . 0 0 "[ . 1 . 2]" 2
84 1 53 TYR H 1 53 TYR QD . . 4.310 3.617 3.173 4.233 . 0 0 "[ . 1 . 2]" 2
85 1 52 SER QB 1 53 TYR H . . 3.690 2.802 2.529 3.267 . 0 0 "[ . 1 . 2]" 2
86 1 53 TYR H 1 54 HIS HB3 . . 4.630 4.502 4.316 4.635 0.005 20 0 "[ . 1 . 2]" 2
87 1 53 TYR H 1 53 TYR QB . . 2.950 2.234 2.120 2.427 . 0 0 "[ . 1 . 2]" 2
88 1 50 ARG H 1 51 MET H . . 3.530 2.567 2.459 2.949 . 0 0 "[ . 1 . 2]" 2
89 1 50 ARG H 1 50 ARG QD . . 4.750 3.865 2.331 4.541 . 0 0 "[ . 1 . 2]" 2
90 1 50 ARG H 1 50 ARG HB3 . . 3.660 3.476 2.421 3.570 . 0 0 "[ . 1 . 2]" 2
91 1 51 MET H 1 52 SER H . . 3.730 2.771 2.753 2.779 . 0 0 "[ . 1 . 2]" 2
92 1 48 LYS HA 1 51 MET H . . 4.140 3.688 3.562 3.941 . 0 0 "[ . 1 . 2]" 2
93 1 80 HIS H 1 82 ASN H . . 4.490 4.110 4.026 4.194 . 0 0 "[ . 1 . 2]" 2
94 1 80 HIS H 1 80 HIS HD2 . . 3.210 2.198 2.109 2.518 . 0 0 "[ . 1 . 2]" 2
95 1 78 PRO HA 1 80 HIS H . . 4.800 4.169 3.767 4.300 . 0 0 "[ . 1 . 2]" 2
96 1 80 HIS H 1 80 HIS QB . . 3.140 2.397 2.373 2.416 . 0 0 "[ . 1 . 2]" 2
97 1 79 ASP HB3 1 80 HIS H . . 4.570 3.186 2.706 3.877 . 0 0 "[ . 1 . 2]" 2
98 1 79 ASP HB2 1 80 HIS H . . 4.570 3.304 2.676 4.045 . 0 0 "[ . 1 . 2]" 2
99 1 77 ARG HB2 1 80 HIS H . . 3.980 3.548 3.386 3.729 . 0 0 "[ . 1 . 2]" 2
100 1 77 ARG HB3 1 80 HIS H . . 3.610 2.904 2.790 3.054 . 0 0 "[ . 1 . 2]" 2
101 1 79 ASP HA 1 81 LEU H . . 4.580 3.962 3.674 4.235 . 0 0 "[ . 1 . 2]" 2
102 1 75 PHE HB2 1 81 LEU H . . 4.110 3.668 3.471 3.926 . 0 0 "[ . 1 . 2]" 2
103 1 81 LEU H 1 81 LEU HG . . 4.720 4.421 4.230 4.473 . 0 0 "[ . 1 . 2]" 2
104 1 81 LEU H 1 81 LEU HB2 . . 3.340 2.685 2.594 2.982 . 0 0 "[ . 1 . 2]" 2
105 1 80 HIS H 1 81 LEU H . . 3.530 2.636 2.358 2.696 . 0 0 "[ . 1 . 2]" 2
106 1 80 HIS QB 1 81 LEU H . . 3.370 2.827 2.660 3.228 . 0 0 "[ . 1 . 2]" 2
107 1 81 LEU H 1 81 LEU HB3 . . 3.110 2.429 2.299 2.501 . 0 0 "[ . 1 . 2]" 2
108 1 16 ILE H 1 16 ILE HG12 . . 3.910 2.578 2.183 3.932 0.022 19 0 "[ . 1 . 2]" 2
109 1 83 GLY H 1 85 ILE H . . 4.710 4.275 4.135 4.354 . 0 0 "[ . 1 . 2]" 2
110 1 84 HIS HD2 1 85 ILE H . . 4.270 3.292 3.097 3.641 . 0 0 "[ . 1 . 2]" 2
111 1 84 HIS HB3 1 85 ILE H . . 3.550 2.622 2.484 2.835 . 0 0 "[ . 1 . 2]" 2
112 1 84 HIS HB2 1 85 ILE H . . 4.240 3.964 3.880 4.085 . 0 0 "[ . 1 . 2]" 2
113 1 85 ILE H 1 85 ILE HG13 . . 3.130 2.063 1.947 2.203 . 0 0 "[ . 1 . 2]" 2
114 1 85 ILE H 1 85 ILE HB . . 3.150 2.578 2.512 2.609 . 0 0 "[ . 1 . 2]" 2
115 1 26 HIS H 1 27 LYS H . . 3.360 2.635 2.432 2.804 . 0 0 "[ . 1 . 2]" 2
116 1 25 ARG H 1 27 LYS H . . 4.740 4.479 4.118 4.670 . 0 0 "[ . 1 . 2]" 2
117 1 26 HIS HB2 1 27 LYS H . . 4.080 3.838 3.736 3.957 . 0 0 "[ . 1 . 2]" 2
118 1 27 LYS H 1 27 LYS QB . . 3.290 2.453 2.270 2.589 . 0 0 "[ . 1 . 2]" 2
119 1 27 LYS H 1 27 LYS HG3 . . 3.450 2.193 1.989 2.586 . 0 0 "[ . 1 . 2]" 2
120 1 27 LYS H 1 27 LYS HG2 . . 3.970 3.534 2.988 3.799 . 0 0 "[ . 1 . 2]" 2
121 1 25 ARG H 1 26 HIS H . . 3.460 2.613 2.432 2.734 . 0 0 "[ . 1 . 2]" 2
122 1 26 HIS H 1 28 LEU H . . 4.640 3.877 3.669 4.117 . 0 0 "[ . 1 . 2]" 2
123 1 26 HIS H 1 26 HIS HB3 . . 3.450 2.385 2.356 2.417 . 0 0 "[ . 1 . 2]" 2
124 1 26 HIS H 1 26 HIS HB2 . . 3.450 2.731 2.650 2.797 . 0 0 "[ . 1 . 2]" 2
125 1 25 ARG HB2 1 26 HIS H . . 4.400 3.457 2.460 4.113 . 0 0 "[ . 1 . 2]" 2
126 1 23 LEU HG 1 26 HIS H . . 5.420 4.941 4.662 5.172 . 0 0 "[ . 1 . 2]" 2
127 1 23 LEU HB2 1 24 ASN H . . 4.130 4.068 3.910 4.130 0.000 15 0 "[ . 1 . 2]" 2
128 1 66 TYR H 1 66 TYR QD . . 3.510 3.098 3.005 3.197 . 0 0 "[ . 1 . 2]" 2
129 1 65 PRO QD 1 66 TYR H . . 3.800 2.670 2.614 2.686 . 0 0 "[ . 1 . 2]" 2
130 1 66 TYR H 1 66 TYR HB2 . . 3.800 2.613 2.554 2.657 . 0 0 "[ . 1 . 2]" 2
131 1 57 SER H 1 58 HIS H . . 3.330 2.738 2.662 2.760 . 0 0 "[ . 1 . 2]" 2
132 1 58 HIS H 1 58 HIS HD2 . . 4.330 3.592 3.470 3.729 . 0 0 "[ . 1 . 2]" 2
133 1 56 ARG HA 1 58 HIS H . . 3.920 3.773 3.658 3.834 . 0 0 "[ . 1 . 2]" 2
134 1 55 VAL HA 1 58 HIS H . . 4.090 3.782 3.670 3.927 . 0 0 "[ . 1 . 2]" 2
135 1 58 HIS H 1 58 HIS HB2 . . 3.050 2.606 2.475 2.641 . 0 0 "[ . 1 . 2]" 2
136 1 29 SER H 1 30 HIS H . . 3.390 2.459 2.216 2.621 . 0 0 "[ . 1 . 2]" 2
137 1 30 HIS H 1 30 HIS HD2 . . 4.650 4.003 3.659 4.541 . 0 0 "[ . 1 . 2]" 2
138 1 27 LYS HA 1 30 HIS H . . 4.040 3.417 3.069 4.055 0.015 8 0 "[ . 1 . 2]" 2
139 1 26 HIS HA 1 28 LEU H . . 4.790 4.062 3.890 4.303 . 0 0 "[ . 1 . 2]" 2
140 1 28 LEU H 1 28 LEU HB2 . . 2.900 2.340 2.054 2.583 . 0 0 "[ . 1 . 2]" 2
141 1 28 LEU H 1 28 LEU HB3 . . 3.880 3.550 3.327 3.646 . 0 0 "[ . 1 . 2]" 2
142 1 28 LEU H 1 28 LEU MD2 . . 4.910 3.910 3.541 4.259 . 0 0 "[ . 1 . 2]" 2
143 1 54 HIS H 1 54 HIS HD2 . . 5.500 4.930 4.776 5.013 . 0 0 "[ . 1 . 2]" 2
144 1 53 TYR HA 1 54 HIS H . . 3.410 3.423 3.366 3.433 0.023 8 0 "[ . 1 . 2]" 2
145 1 50 ARG HA 1 54 HIS H . . 4.910 4.331 4.232 4.650 . 0 0 "[ . 1 . 2]" 2
146 1 52 SER HA 1 54 HIS H . . 5.100 4.162 4.053 4.266 . 0 0 "[ . 1 . 2]" 2
147 1 54 HIS H 1 54 HIS HB3 . . 2.910 2.419 2.370 2.462 . 0 0 "[ . 1 . 2]" 2
148 1 53 TYR QB 1 54 HIS H . . 3.380 3.055 2.999 3.186 . 0 0 "[ . 1 . 2]" 2
149 1 22 HIS H 1 22 HIS HB3 . . 4.150 3.121 2.783 3.431 . 0 0 "[ . 1 . 2]" 2
150 1 21 TYR HB2 1 22 HIS H . . 4.060 2.862 2.505 3.176 . 0 0 "[ . 1 . 2]" 2
151 1 22 HIS H 1 25 ARG H . . 5.500 5.294 5.112 5.452 . 0 0 "[ . 1 . 2]" 2
152 1 22 HIS H 1 22 HIS HB2 . . 4.150 2.176 2.073 2.390 . 0 0 "[ . 1 . 2]" 2
153 1 20 VAL H 1 20 VAL HB . . 3.770 2.722 2.505 3.673 . 0 0 "[ . 1 . 2]" 2
154 1 20 VAL H 1 20 VAL MG1 . . 4.190 3.593 2.430 3.808 . 0 0 "[ . 1 . 2]" 2
155 1 86 LYS H 1 88 VAL H . . 4.700 4.504 4.351 4.616 . 0 0 "[ . 1 . 2]" 2
156 1 85 ILE HG13 1 86 LYS H . . 4.480 4.310 4.245 4.375 . 0 0 "[ . 1 . 2]" 2
157 1 85 ILE H 1 86 LYS H . . 3.270 2.718 2.458 2.806 . 0 0 "[ . 1 . 2]" 2
158 1 86 LYS H 1 87 GLN H . . 3.360 2.251 2.224 2.322 . 0 0 "[ . 1 . 2]" 2
159 1 84 HIS HA 1 86 LYS H . . 4.270 4.089 3.922 4.276 0.006 19 0 "[ . 1 . 2]" 2
160 1 83 GLY HA2 1 86 LYS H . . 4.260 3.497 3.273 3.778 . 0 0 "[ . 1 . 2]" 2
161 1 86 LYS H 1 86 LYS QB . . 2.730 2.194 2.135 2.449 . 0 0 "[ . 1 . 2]" 2
162 1 86 LYS H 1 86 LYS QD . . 4.630 3.839 2.440 4.634 0.004 6 0 "[ . 1 . 2]" 2
163 1 86 LYS H 1 86 LYS HG2 . . 4.790 4.401 3.144 4.723 . 0 0 "[ . 1 . 2]" 2
164 1 85 ILE MG 1 86 LYS H . . 3.880 3.612 3.411 3.784 . 0 0 "[ . 1 . 2]" 2
165 1 56 ARG H 1 57 SER H . . 3.360 2.706 2.591 2.798 . 0 0 "[ . 1 . 2]" 2
166 1 55 VAL HB 1 56 ARG H . . 3.720 2.278 2.160 2.384 . 0 0 "[ . 1 . 2]" 2
167 1 75 PHE H 1 75 PHE QD . . 3.510 2.881 2.682 3.041 . 0 0 "[ . 1 . 2]" 2
168 1 74 GLY HA2 1 75 PHE H . . 3.120 2.152 2.137 2.172 . 0 0 "[ . 1 . 2]" 2
169 1 67 ILE HA 1 75 PHE H . . 4.330 3.215 3.090 3.298 . 0 0 "[ . 1 . 2]" 2
170 1 75 PHE H 1 75 PHE HB3 . . 4.180 3.767 3.694 3.839 . 0 0 "[ . 1 . 2]" 2
171 1 74 GLY HA3 1 75 PHE H . . 3.560 3.170 3.092 3.301 . 0 0 "[ . 1 . 2]" 2
172 1 75 PHE H 1 75 PHE HB2 . . 3.470 2.627 2.497 2.746 . 0 0 "[ . 1 . 2]" 2
173 1 75 PHE H 1 81 LEU MD1 . . 5.310 4.189 3.878 4.444 . 0 0 "[ . 1 . 2]" 2
174 1 75 PHE H 1 81 LEU MD2 . . 5.310 4.434 4.181 4.828 . 0 0 "[ . 1 . 2]" 2
175 1 78 PRO HA 1 82 ASN H . . 4.870 4.684 4.565 4.810 . 0 0 "[ . 1 . 2]" 2
176 1 36 TYR H 1 45 PHE H . . 3.920 3.351 3.202 3.615 . 0 0 "[ . 1 . 2]" 2
177 1 35 PRO HG3 1 36 TYR H . . 4.580 3.621 3.558 3.720 . 0 0 "[ . 1 . 2]" 2
178 1 35 PRO HB2 1 36 TYR H . . 4.360 3.011 2.920 3.146 . 0 0 "[ . 1 . 2]" 2
179 1 36 TYR H 1 36 TYR QD . . 3.560 2.721 2.580 2.887 . 0 0 "[ . 1 . 2]" 2
180 1 34 LYS HA 1 36 TYR H . . 4.480 3.428 3.301 3.505 . 0 0 "[ . 1 . 2]" 2
181 1 36 TYR H 1 46 LYS HA . . 4.820 3.837 3.640 4.045 . 0 0 "[ . 1 . 2]" 2
182 1 35 PRO QD 1 36 TYR H . . 3.640 2.659 2.619 2.690 . 0 0 "[ . 1 . 2]" 2
183 1 36 TYR H 1 36 TYR HB3 . . 3.840 3.800 3.759 3.824 . 0 0 "[ . 1 . 2]" 2
184 1 36 TYR H 1 36 TYR HB2 . . 3.400 2.769 2.721 2.805 . 0 0 "[ . 1 . 2]" 2
185 1 35 PRO HB3 1 36 TYR H . . 4.360 3.954 3.903 4.031 . 0 0 "[ . 1 . 2]" 2
186 1 35 PRO HG2 1 36 TYR H . . 4.070 2.021 1.938 2.153 . 0 0 "[ . 1 . 2]" 2
187 1 36 TYR H 1 37 SER H . . 4.660 3.999 3.926 4.103 . 0 0 "[ . 1 . 2]" 2
188 1 36 TYR HB3 1 45 PHE H . . 5.160 4.870 4.543 4.973 . 0 0 "[ . 1 . 2]" 2
189 1 44 ARG H 1 45 PHE H . . 4.520 4.373 4.255 4.447 . 0 0 "[ . 1 . 2]" 2
190 1 45 PHE H 1 45 PHE QD . . 3.600 2.716 2.396 3.049 . 0 0 "[ . 1 . 2]" 2
191 1 44 ARG HA 1 45 PHE H . . 3.030 2.174 2.141 2.207 . 0 0 "[ . 1 . 2]" 2
192 1 36 TYR HB2 1 45 PHE H . . 4.500 3.630 3.183 3.798 . 0 0 "[ . 1 . 2]" 2
193 1 45 PHE H 1 45 PHE HB2 . . 3.790 2.676 2.534 2.764 . 0 0 "[ . 1 . 2]" 2
194 1 44 ARG HB2 1 45 PHE H . . 4.380 4.206 3.994 4.353 . 0 0 "[ . 1 . 2]" 2
195 1 44 ARG HG3 1 45 PHE H . . 4.640 4.300 4.024 4.493 . 0 0 "[ . 1 . 2]" 2
196 1 71 CYS H 1 72 GLY H . . 2.960 2.455 2.439 2.478 . 0 0 "[ . 1 . 2]" 2
197 1 71 CYS H 1 72 GLY HA2 . . 5.310 4.725 4.703 4.748 . 0 0 "[ . 1 . 2]" 2
198 1 70 SER HB2 1 71 CYS H . . 3.970 2.420 2.162 3.554 . 0 0 "[ . 1 . 2]" 2
199 1 70 SER HB3 1 71 CYS H . . 3.970 2.431 2.044 3.593 . 0 0 "[ . 1 . 2]" 2
200 1 75 PHE HB3 1 77 ARG H . . 3.420 3.205 3.004 3.362 . 0 0 "[ . 1 . 2]" 2
201 1 77 ARG H 1 80 HIS QB . . 3.550 3.002 2.853 3.089 . 0 0 "[ . 1 . 2]" 2
202 1 77 ARG H 1 77 ARG HB2 . . 4.150 2.271 2.226 2.333 . 0 0 "[ . 1 . 2]" 2
203 1 77 ARG H 1 77 ARG HG3 . . 4.880 4.172 3.898 4.333 . 0 0 "[ . 1 . 2]" 2
204 1 77 ARG H 1 77 ARG HB3 . . 3.610 3.450 3.403 3.494 . 0 0 "[ . 1 . 2]" 2
205 1 36 TYR HB3 1 37 SER H . . 4.060 3.880 3.802 3.933 . 0 0 "[ . 1 . 2]" 2
206 1 36 TYR QD 1 37 SER H . . 4.860 4.753 4.687 4.826 . 0 0 "[ . 1 . 2]" 2
207 1 38 CYS HB2 1 41 CYS H . . 4.630 4.195 3.967 4.419 . 0 0 "[ . 1 . 2]" 2
208 1 38 CYS HB3 1 41 CYS H . . 3.760 2.896 2.538 3.259 . 0 0 "[ . 1 . 2]" 2
209 1 39 PRO HD2 1 41 CYS H . . 5.500 4.646 4.516 4.710 . 0 0 "[ . 1 . 2]" 2
210 1 45 PHE HB2 1 47 ARG H . . 4.390 3.237 3.135 3.458 . 0 0 "[ . 1 . 2]" 2
211 1 47 ARG H 1 51 MET HB3 . . 4.510 4.513 4.501 4.520 0.010 16 0 "[ . 1 . 2]" 2
212 1 47 ARG H 1 47 ARG QG . . 3.290 2.327 2.242 2.444 . 0 0 "[ . 1 . 2]" 2
213 1 69 GLN QG 1 70 SER H . . 4.750 3.924 2.670 4.716 . 0 0 "[ . 1 . 2]" 2
214 1 70 SER H 1 72 GLY H . . 4.380 2.804 2.787 2.819 . 0 0 "[ . 1 . 2]" 2
215 1 70 SER H 1 71 CYS H . . 3.150 2.681 2.672 2.687 . 0 0 "[ . 1 . 2]" 2
216 1 70 SER H 1 70 SER HB2 . . 3.760 2.435 2.325 3.371 . 0 0 "[ . 1 . 2]" 2
217 1 70 SER H 1 70 SER HB3 . . 3.760 3.462 2.456 3.605 . 0 0 "[ . 1 . 2]" 2
218 1 69 GLN HB3 1 70 SER H . . 4.780 4.055 3.672 4.339 . 0 0 "[ . 1 . 2]" 2
219 1 69 GLN HB2 1 70 SER H . . 4.780 3.811 3.418 4.330 . 0 0 "[ . 1 . 2]" 2
220 1 87 GLN H 1 88 VAL H . . 3.230 2.703 2.507 2.931 . 0 0 "[ . 1 . 2]" 2
221 1 87 GLN H 1 89 HIS H . . 4.450 4.167 3.948 4.438 . 0 0 "[ . 1 . 2]" 2
222 1 84 HIS HA 1 87 GLN H . . 4.110 3.088 2.987 3.356 . 0 0 "[ . 1 . 2]" 2
223 1 87 GLN H 1 87 GLN HG2 . . 4.570 4.387 3.995 4.572 0.002 12 0 "[ . 1 . 2]" 2
224 1 87 GLN H 1 87 GLN HB3 . . 3.300 2.875 2.460 3.280 . 0 0 "[ . 1 . 2]" 2
225 1 86 LYS QB 1 87 GLN H . . 3.270 3.082 2.735 3.255 . 0 0 "[ . 1 . 2]" 2
226 1 89 HIS H 1 90 SER H . . 4.480 3.932 3.222 4.492 0.012 20 0 "[ . 1 . 2]" 2
227 1 88 VAL H 1 89 HIS H . . 3.070 2.651 2.126 3.065 . 0 0 "[ . 1 . 2]" 2
228 1 89 HIS H 1 89 HIS HD2 . . 4.750 3.177 2.930 3.347 . 0 0 "[ . 1 . 2]" 2
229 1 89 HIS H 1 89 HIS HB3 . . 3.780 3.629 3.614 3.662 . 0 0 "[ . 1 . 2]" 2
230 1 89 HIS H 1 89 HIS HB2 . . 3.630 2.637 2.566 2.658 . 0 0 "[ . 1 . 2]" 2
231 1 88 VAL HB 1 89 HIS H . . 3.730 2.166 1.979 2.385 . 0 0 "[ . 1 . 2]" 2
232 1 88 VAL MG2 1 89 HIS H . . 5.040 3.631 3.539 3.719 . 0 0 "[ . 1 . 2]" 2
233 1 88 VAL H 1 88 VAL HB . . 3.770 2.560 2.500 2.674 . 0 0 "[ . 1 . 2]" 2
234 1 87 GLN HB3 1 88 VAL H . . 3.440 2.173 1.976 2.552 . 0 0 "[ . 1 . 2]" 2
235 1 85 ILE MG 1 87 GLN H . . 5.320 4.937 4.732 5.173 . 0 0 "[ . 1 . 2]" 2
236 1 87 GLN H 1 88 VAL HB . . 5.500 4.959 4.517 5.210 . 0 0 "[ . 1 . 2]" 2
237 1 85 ILE H 1 85 ILE MG . . 3.840 3.766 3.764 3.770 . 0 0 "[ . 1 . 2]" 2
238 1 85 ILE H 1 85 ILE HG12 . . 3.810 3.541 3.401 3.647 . 0 0 "[ . 1 . 2]" 2
239 1 83 GLY HA2 1 87 GLN H . . 4.810 4.353 4.197 4.519 . 0 0 "[ . 1 . 2]" 2
240 1 85 ILE H 1 89 HIS HD2 . . 5.100 4.618 4.290 4.869 . 0 0 "[ . 1 . 2]" 2
241 1 84 HIS H 1 85 ILE MD . . 5.500 4.728 4.302 5.140 . 0 0 "[ . 1 . 2]" 2
242 1 83 GLY H 1 84 HIS H . . 3.330 2.556 2.379 2.707 . 0 0 "[ . 1 . 2]" 2
243 1 84 HIS H 1 85 ILE H . . 3.350 2.725 2.522 2.879 . 0 0 "[ . 1 . 2]" 2
244 1 80 HIS HA 1 83 GLY H . . 4.300 3.834 3.654 4.301 0.001 14 0 "[ . 1 . 2]" 2
245 1 83 GLY H 1 84 HIS HB3 . . 4.740 4.621 4.453 4.755 0.015 14 0 "[ . 1 . 2]" 2
246 1 82 ASN QB 1 83 GLY H . . 3.640 2.718 2.245 3.460 . 0 0 "[ . 1 . 2]" 2
247 1 81 LEU HB3 1 83 GLY H . . 5.500 5.159 4.948 5.489 . 0 0 "[ . 1 . 2]" 2
248 1 83 GLY H 1 85 ILE HB . . 5.500 5.501 5.482 5.516 0.016 11 0 "[ . 1 . 2]" 2
249 1 81 LEU HB2 1 82 ASN H . . 4.140 3.986 3.908 4.068 . 0 0 "[ . 1 . 2]" 2
250 1 81 LEU HG 1 82 ASN H . . 4.550 3.912 3.408 4.148 . 0 0 "[ . 1 . 2]" 2
251 1 81 LEU HB3 1 82 ASN H . . 3.320 2.767 2.673 2.945 . 0 0 "[ . 1 . 2]" 2
252 1 82 ASN H 1 82 ASN QB . . 3.070 2.201 2.059 2.305 . 0 0 "[ . 1 . 2]" 2
253 1 81 LEU H 1 82 ASN H . . 3.270 2.391 2.266 2.531 . 0 0 "[ . 1 . 2]" 2
254 1 81 LEU H 1 82 ASN QB . . 4.250 4.130 3.937 4.277 0.027 10 0 "[ . 1 . 2]" 2
255 1 79 ASP H 1 80 HIS H . . 4.800 2.751 2.631 2.775 . 0 0 "[ . 1 . 2]" 2
256 1 77 ARG H 1 78 PRO HD3 . . 5.330 5.084 5.070 5.091 . 0 0 "[ . 1 . 2]" 2
257 1 67 ILE MG 1 75 PHE H . . 4.630 3.584 3.498 3.666 . 0 0 "[ . 1 . 2]" 2
258 1 74 GLY H 1 75 PHE H . . 4.910 3.829 3.574 3.961 . 0 0 "[ . 1 . 2]" 2
259 1 73 LYS HB2 1 74 GLY H . . 4.250 3.502 3.499 3.505 . 0 0 "[ . 1 . 2]" 2
260 1 73 LYS HG3 1 74 GLY H . . 4.420 3.881 3.709 3.957 . 0 0 "[ . 1 . 2]" 2
261 1 73 LYS H 1 73 LYS HB2 . . 3.630 2.736 2.612 2.796 . 0 0 "[ . 1 . 2]" 2
262 1 68 CYS HB2 1 73 LYS H . . 3.970 2.892 2.807 3.004 . 0 0 "[ . 1 . 2]" 2
263 1 68 CYS HB3 1 73 LYS H . . 3.340 2.598 2.505 2.630 . 0 0 "[ . 1 . 2]" 2
264 1 72 GLY H 1 73 LYS H . . 3.560 3.036 2.905 3.098 . 0 0 "[ . 1 . 2]" 2
265 1 13 CYS H 1 14 GLY H . . 2.800 1.949 1.902 1.996 . 0 0 "[ . 1 . 2]" 2
266 1 10 CYS HB3 1 14 GLY H . . 3.480 1.999 1.946 2.173 . 0 0 "[ . 1 . 2]" 2
267 1 10 CYS HB2 1 14 GLY H . . 4.330 3.698 3.581 3.919 . 0 0 "[ . 1 . 2]" 2
268 1 13 CYS HB3 1 14 GLY H . . 4.840 4.052 4.000 4.147 . 0 0 "[ . 1 . 2]" 2
269 1 14 GLY H 1 15 LYS HB2 . . 5.200 4.080 3.914 4.283 . 0 0 "[ . 1 . 2]" 2
270 1 12 ILE HB 1 14 GLY H . . 4.900 4.458 4.261 4.566 . 0 0 "[ . 1 . 2]" 2
271 1 67 ILE H 1 68 CYS H . . 5.000 4.435 4.416 4.451 . 0 0 "[ . 1 . 2]" 2
272 1 67 ILE HG12 1 68 CYS H . . 5.050 4.209 4.194 4.234 . 0 0 "[ . 1 . 2]" 2
273 1 66 TYR HA 1 67 ILE H . . 2.890 2.180 2.154 2.195 . 0 0 "[ . 1 . 2]" 2
274 1 66 TYR H 1 67 ILE H . . 4.820 4.450 4.414 4.492 . 0 0 "[ . 1 . 2]" 2
275 1 66 TYR H 1 66 TYR QE . . 4.860 4.777 4.592 4.854 . 0 0 "[ . 1 . 2]" 2
276 1 66 TYR H 1 66 TYR HB3 . . 3.800 3.737 3.674 3.776 . 0 0 "[ . 1 . 2]" 2
277 1 65 PRO HG2 1 66 TYR H . . 4.930 1.989 1.948 2.185 . 0 0 "[ . 1 . 2]" 2
278 1 62 VAL H 1 63 GLY QA . . 4.740 4.430 3.771 4.737 . 0 0 "[ . 1 . 2]" 2
279 1 28 LEU HB2 1 30 HIS H . . 5.420 4.999 4.594 5.253 . 0 0 "[ . 1 . 2]" 2
280 1 57 SER H 1 57 SER QB . . 3.250 2.135 2.092 2.255 . 0 0 "[ . 1 . 2]" 2
281 1 57 SER H 1 58 HIS HB2 . . 5.310 5.167 5.032 5.231 . 0 0 "[ . 1 . 2]" 2
282 1 56 ARG H 1 56 ARG HB2 . . 3.710 2.631 2.613 2.662 . 0 0 "[ . 1 . 2]" 2
283 1 55 VAL H 1 58 HIS HD2 . . 5.220 4.804 4.614 5.006 . 0 0 "[ . 1 . 2]" 2
284 1 50 ARG HA 1 53 TYR H . . 3.940 3.477 3.416 3.608 . 0 0 "[ . 1 . 2]" 2
285 1 51 MET HG3 1 52 SER H . . 4.310 2.111 1.993 2.310 . 0 0 "[ . 1 . 2]" 2
286 1 51 MET HG2 1 52 SER H . . 4.010 3.810 3.715 3.957 . 0 0 "[ . 1 . 2]" 2
287 1 48 LYS HA 1 52 SER H . . 4.710 3.738 3.609 3.995 . 0 0 "[ . 1 . 2]" 2
288 1 52 SER H 1 52 SER QB . . 3.680 2.222 2.126 2.551 . 0 0 "[ . 1 . 2]" 2
289 1 49 ASP HA 1 52 SER H . . 4.750 4.034 3.649 4.172 . 0 0 "[ . 1 . 2]" 2
290 1 51 MET H 1 51 MET HG3 . . 3.450 2.300 2.112 2.381 . 0 0 "[ . 1 . 2]" 2
291 1 47 ARG QG 1 51 MET H . . 4.980 3.336 3.175 3.476 . 0 0 "[ . 1 . 2]" 2
292 1 50 ARG HB3 1 51 MET H . . 3.950 2.930 2.196 3.090 . 0 0 "[ . 1 . 2]" 2
293 1 51 MET H 1 51 MET HG2 . . 3.610 3.269 3.217 3.289 . 0 0 "[ . 1 . 2]" 2
294 1 48 LYS HA 1 50 ARG H . . 5.330 3.945 3.659 4.744 . 0 0 "[ . 1 . 2]" 2
295 1 50 ARG H 1 50 ARG HB2 . . 3.660 2.298 2.190 2.829 . 0 0 "[ . 1 . 2]" 2
296 1 43 LEU HG 1 44 ARG H . . 4.180 3.718 3.608 4.037 . 0 0 "[ . 1 . 2]" 2
297 1 43 LEU HB3 1 44 ARG H . . 3.000 2.402 2.207 2.517 . 0 0 "[ . 1 . 2]" 2
298 1 43 LEU HA 1 44 ARG H . . 2.680 2.462 2.413 2.506 . 0 0 "[ . 1 . 2]" 2
299 1 42 GLY H 1 43 LEU HG . . 5.500 5.351 4.880 5.502 0.002 10 0 "[ . 1 . 2]" 2
300 1 38 CYS HB3 1 42 GLY H . . 3.560 1.946 1.930 1.951 . 0 0 "[ . 1 . 2]" 2
301 1 41 CYS H 1 42 GLY H . . 3.050 2.943 2.785 3.052 0.002 13 0 "[ . 1 . 2]" 2
302 1 38 CYS H 1 42 GLY H . . 4.520 3.511 3.289 3.704 . 0 0 "[ . 1 . 2]" 2
303 1 40 VAL H 1 40 VAL HB . . 3.810 2.546 2.497 2.633 . 0 0 "[ . 1 . 2]" 2
304 1 39 PRO HG3 1 40 VAL H . . 4.800 4.115 3.873 4.382 . 0 0 "[ . 1 . 2]" 2
305 1 40 VAL H 1 42 GLY H . . 4.370 4.228 4.014 4.372 0.002 4 0 "[ . 1 . 2]" 2
306 1 38 CYS H 1 44 ARG HA . . 4.150 3.937 3.779 4.131 . 0 0 "[ . 1 . 2]" 2
307 1 36 TYR HB2 1 37 SER H . . 4.530 4.354 4.316 4.373 . 0 0 "[ . 1 . 2]" 2
308 1 36 TYR HA 1 37 SER H . . 3.020 2.189 2.169 2.206 . 0 0 "[ . 1 . 2]" 2
309 1 36 TYR H 1 36 TYR QE . . 4.610 4.514 4.432 4.611 0.001 3 0 "[ . 1 . 2]" 2
310 1 36 TYR H 1 45 PHE HB3 . . 5.500 5.402 5.236 5.523 0.023 10 0 "[ . 1 . 2]" 2
311 1 30 HIS H 1 30 HIS HB2 . . 3.980 2.218 2.075 2.954 . 0 0 "[ . 1 . 2]" 2
312 1 30 HIS H 1 30 HIS HB3 . . 3.980 3.479 3.212 3.796 . 0 0 "[ . 1 . 2]" 2
313 1 28 LEU H 1 29 SER H . . 3.490 2.581 2.249 3.071 . 0 0 "[ . 1 . 2]" 2
314 1 29 SER H 1 29 SER HB3 . . 4.160 3.134 2.179 3.637 . 0 0 "[ . 1 . 2]" 2
315 1 28 LEU HG 1 29 SER H . . 4.860 4.611 4.295 4.859 . 0 0 "[ . 1 . 2]" 2
316 1 28 LEU HB3 1 29 SER H . . 4.760 3.622 2.321 4.028 . 0 0 "[ . 1 . 2]" 2
317 1 27 LYS H 1 28 LEU H . . 3.490 2.742 2.620 2.800 . 0 0 "[ . 1 . 2]" 2
318 1 23 LEU HA 1 27 LYS H . . 4.600 3.982 3.808 4.148 . 0 0 "[ . 1 . 2]" 2
319 1 26 HIS HB3 1 27 LYS H . . 4.080 2.432 2.267 2.633 . 0 0 "[ . 1 . 2]" 2
320 1 23 LEU HG 1 27 LYS H . . 4.840 3.856 3.502 4.146 . 0 0 "[ . 1 . 2]" 2
321 1 23 LEU MD2 1 27 LYS H . . 5.500 5.241 4.909 5.500 0.000 20 0 "[ . 1 . 2]" 2
322 1 24 ASN H 1 25 ARG H . . 3.600 2.768 2.623 2.951 . 0 0 "[ . 1 . 2]" 2
323 1 24 ASN HB2 1 25 ARG H . . 4.270 3.509 3.112 3.984 . 0 0 "[ . 1 . 2]" 2
324 1 24 ASN HB3 1 25 ARG H . . 4.270 2.454 2.209 3.038 . 0 0 "[ . 1 . 2]" 2
325 1 25 ARG H 1 25 ARG HB2 . . 3.750 3.111 2.574 3.607 . 0 0 "[ . 1 . 2]" 2
326 1 25 ARG H 1 25 ARG HG3 . . 4.210 2.384 2.012 2.597 . 0 0 "[ . 1 . 2]" 2
327 1 23 LEU HG 1 24 ASN H . . 4.620 3.931 3.770 4.039 . 0 0 "[ . 1 . 2]" 2
328 1 23 LEU HB3 1 24 ASN H . . 3.630 2.878 2.670 2.974 . 0 0 "[ . 1 . 2]" 2
329 1 24 ASN H 1 24 ASN HB3 . . 3.870 2.839 2.339 3.301 . 0 0 "[ . 1 . 2]" 2
330 1 24 ASN H 1 24 ASN HB2 . . 3.870 2.297 2.073 2.759 . 0 0 "[ . 1 . 2]" 2
331 1 23 LEU H 1 24 ASN H . . 3.520 2.536 2.325 2.779 . 0 0 "[ . 1 . 2]" 2
332 1 23 LEU H 1 25 ARG H . . 4.890 4.466 4.142 4.738 . 0 0 "[ . 1 . 2]" 2
333 1 22 HIS H 1 23 LEU HB3 . . 4.910 4.622 4.436 4.882 . 0 0 "[ . 1 . 2]" 2
334 1 20 VAL H 1 20 VAL MG2 . . 4.190 2.256 1.915 2.496 . 0 0 "[ . 1 . 2]" 2
335 1 19 ASP QB 1 20 VAL H . . 3.320 2.540 1.951 3.108 . 0 0 "[ . 1 . 2]" 2
336 1 19 ASP HA 1 20 VAL H . . 3.400 2.435 2.270 2.631 . 0 0 "[ . 1 . 2]" 2
337 1 18 ARG H 1 19 ASP H . . 5.150 2.624 2.326 2.752 . 0 0 "[ . 1 . 2]" 2
338 1 19 ASP H 1 22 HIS H . . 4.610 4.402 4.178 4.610 . 5 0 "[ . 1 . 2]" 2
339 1 17 PHE HB3 1 19 ASP H . . 3.700 2.728 2.595 2.985 . 0 0 "[ . 1 . 2]" 2
340 1 17 PHE HB2 1 19 ASP H . . 4.110 3.815 3.614 4.110 . 0 0 "[ . 1 . 2]" 2
341 1 18 ARG HG2 1 19 ASP H . . 4.470 2.762 2.015 4.471 0.001 19 0 "[ . 1 . 2]" 2
342 1 18 ARG HG3 1 19 ASP H . . 4.470 2.802 2.175 3.977 . 0 0 "[ . 1 . 2]" 2
343 1 16 ILE H 1 16 ILE MG . . 3.940 3.800 3.789 3.818 . 0 0 "[ . 1 . 2]" 2
344 1 15 LYS HA 1 16 ILE H . . 2.560 2.191 2.158 2.231 . 0 0 "[ . 1 . 2]" 2
345 1 10 CYS HB3 1 15 LYS H . . 3.350 2.072 1.949 3.086 . 0 0 "[ . 1 . 2]" 2
346 1 10 CYS HB2 1 15 LYS H . . 4.050 2.870 2.344 3.886 . 0 0 "[ . 1 . 2]" 2
347 1 14 GLY H 1 15 LYS H . . 3.370 2.157 2.043 2.435 . 0 0 "[ . 1 . 2]" 2
348 1 68 CYS HB3 1 72 GLY H . . 3.820 1.897 1.893 1.902 . 0 0 "[ . 1 . 2]" 2
349 1 12 ILE MD 1 13 CYS H . . 4.850 3.837 3.651 4.028 . 0 0 "[ . 1 . 2]" 2
350 1 12 ILE HG12 1 13 CYS H . . 5.290 5.140 5.006 5.203 . 0 0 "[ . 1 . 2]" 2
351 1 12 ILE HB 1 13 CYS H . . 3.370 2.591 2.371 2.675 . 0 0 "[ . 1 . 2]" 2
352 1 13 CYS H 1 13 CYS HB3 . . 3.850 3.153 3.023 3.249 . 0 0 "[ . 1 . 2]" 2
353 1 11 GLU HA 1 13 CYS H . . 5.090 4.584 4.464 4.890 . 0 0 "[ . 1 . 2]" 2
354 1 13 CYS H 1 14 GLY HA3 . . 5.470 4.621 4.584 4.715 . 0 0 "[ . 1 . 2]" 2
355 1 12 ILE H 1 12 ILE HG13 . . 3.440 3.234 3.057 3.421 . 0 0 "[ . 1 . 2]" 2
356 1 12 ILE H 1 12 ILE HB . . 3.140 2.750 2.701 2.797 . 0 0 "[ . 1 . 2]" 2
357 1 10 CYS H 1 16 ILE MD . . 4.920 3.710 3.252 4.603 . 0 0 "[ . 1 . 2]" 2
358 1 9 ALA H 1 10 CYS H . . 4.850 4.349 4.162 4.576 . 0 0 "[ . 1 . 2]" 2
359 1 7 GLY QA 1 8 VAL H . . 2.740 2.226 2.121 2.404 . 0 0 "[ . 1 . 2]" 2
360 1 8 VAL H 1 8 VAL HB . . 3.980 3.269 2.610 3.703 . 0 0 "[ . 1 . 2]" 2
361 1 8 VAL H 1 8 VAL MG2 . . 3.890 2.757 1.922 3.889 . 0 0 "[ . 1 . 2]" 2
362 1 8 VAL H 1 16 ILE MG . . 3.670 3.443 3.028 3.653 . 0 0 "[ . 1 . 2]" 2
363 1 7 GLY H 1 8 VAL HA . . 4.810 4.657 4.298 4.810 0.000 5 0 "[ . 1 . 2]" 2
364 1 38 CYS H 1 43 LEU HB2 . . 4.940 4.041 3.867 4.366 . 0 0 "[ . 1 . 2]" 2
365 1 37 SER H 1 38 CYS H . . 5.040 4.517 4.508 4.531 . 0 0 "[ . 1 . 2]" 2
366 1 35 PRO HA 1 37 SER H . . 5.500 5.443 5.308 5.520 0.020 14 0 "[ . 1 . 2]" 2
367 1 37 SER H 1 39 PRO HD3 . . 5.500 5.504 5.469 5.530 0.030 20 0 "[ . 1 . 2]" 2
368 1 20 VAL H 1 21 TYR H . . 3.780 2.350 2.248 2.500 . 0 0 "[ . 1 . 2]" 2
369 1 9 ALA MB 1 17 PHE H . . 5.080 4.748 4.509 4.974 . 0 0 "[ . 1 . 2]" 2
370 1 13 CYS HA 1 15 LYS H . . 5.260 5.035 4.502 5.261 0.001 8 0 "[ . 1 . 2]" 2
371 1 13 CYS H 1 15 LYS H . . 4.390 3.683 3.561 3.902 . 0 0 "[ . 1 . 2]" 2
372 1 83 GLY HA3 1 85 ILE H . . 5.060 4.817 4.604 5.048 . 0 0 "[ . 1 . 2]" 2
373 1 12 ILE MD 1 14 GLY H . . 5.350 5.087 4.801 5.351 0.001 8 0 "[ . 1 . 2]" 2
374 1 68 CYS HB3 1 70 SER H . . 4.780 2.851 2.837 2.860 . 0 0 "[ . 1 . 2]" 2
375 1 45 PHE QD 1 47 ARG H . . 5.300 4.546 4.245 4.726 . 0 0 "[ . 1 . 2]" 2
376 1 47 ARG H 1 51 MET H . . 5.500 4.324 4.238 4.404 . 0 0 "[ . 1 . 2]" 2
377 1 8 VAL H 1 19 ASP HA . . 5.120 5.000 4.614 5.121 0.001 13 0 "[ . 1 . 2]" 2
378 1 62 VAL H 1 62 VAL MG1 . . 4.490 3.199 1.989 3.993 . 0 0 "[ . 1 . 2]" 2
379 1 84 HIS H 1 87 GLN HB2 . . 4.980 4.567 4.182 4.984 0.004 12 0 "[ . 1 . 2]" 2
380 1 75 PHE H 1 75 PHE QE . . 5.230 5.048 4.871 5.186 . 0 0 "[ . 1 . 2]" 2
381 1 66 TYR H 1 75 PHE H . . 4.270 3.740 3.360 4.230 . 0 0 "[ . 1 . 2]" 2
382 1 17 PHE QE 1 27 LYS H . . 5.500 5.478 5.398 5.506 0.006 8 0 "[ . 1 . 2]" 2
383 1 9 ALA HA 1 17 PHE H . . 4.110 3.639 3.358 3.833 . 0 0 "[ . 1 . 2]" 2
384 1 7 GLY QA 1 17 PHE H . . 4.500 3.924 3.299 4.280 . 0 0 "[ . 1 . 2]" 2
385 1 17 PHE H 1 17 PHE QD . . 3.560 2.649 2.487 2.749 . 0 0 "[ . 1 . 2]" 2
386 1 10 CYS H 1 17 PHE QE . . 4.650 3.295 3.096 3.680 . 0 0 "[ . 1 . 2]" 2
387 1 10 CYS H 1 17 PHE QD . . 4.590 3.326 2.993 3.728 . 0 0 "[ . 1 . 2]" 2
388 1 8 VAL H 1 16 ILE HA . . 5.110 4.809 4.474 5.109 . 0 0 "[ . 1 . 2]" 2
389 1 8 VAL H 1 9 ALA H . . 5.500 4.524 4.410 4.583 . 0 0 "[ . 1 . 2]" 2
390 1 9 ALA HA 1 16 ILE H . . 4.930 4.582 4.068 4.864 . 0 0 "[ . 1 . 2]" 2
391 1 16 ILE H 1 17 PHE H . . 4.860 4.568 4.493 4.593 . 0 0 "[ . 1 . 2]" 2
392 1 37 SER H 1 45 PHE H . . 4.680 4.508 4.419 4.682 0.002 10 0 "[ . 1 . 2]" 2
393 1 10 CYS H 1 14 GLY H . . 4.680 4.188 3.827 4.349 . 0 0 "[ . 1 . 2]" 2
394 1 10 CYS H 1 17 PHE H . . 5.500 4.720 4.461 5.062 . 0 0 "[ . 1 . 2]" 2
395 1 17 PHE H 1 18 ARG H . . 5.500 4.358 4.256 4.475 . 0 0 "[ . 1 . 2]" 2
396 1 17 PHE H 1 17 PHE QE . . 5.170 4.841 4.686 4.961 . 0 0 "[ . 1 . 2]" 2
397 1 69 GLN H 1 70 SER H . . 4.470 2.303 2.289 2.311 . 0 0 "[ . 1 . 2]" 2
398 1 11 GLU H 1 12 ILE H . . 4.860 2.807 2.758 2.859 . 0 0 "[ . 1 . 2]" 2
399 1 45 PHE H 1 45 PHE QE . . 4.890 4.731 4.410 4.897 0.007 7 0 "[ . 1 . 2]" 2
400 1 44 ARG H 1 45 PHE QD . . 5.040 4.645 4.425 4.885 . 0 0 "[ . 1 . 2]" 2
401 1 83 GLY HA3 1 86 LYS QB . . 4.790 4.476 4.123 4.797 0.007 17 0 "[ . 1 . 2]" 2
402 1 71 CYS H 1 72 GLY HA3 . . 5.310 5.051 5.038 5.072 . 0 0 "[ . 1 . 2]" 2
403 1 85 ILE H 1 85 ILE MD . . 4.110 3.182 2.823 3.542 . 0 0 "[ . 1 . 2]" 2
404 1 85 ILE MD 1 89 HIS HD2 . . 5.500 4.935 4.591 5.229 . 0 0 "[ . 1 . 2]" 2
405 1 85 ILE HA 1 85 ILE MD . . 4.300 3.871 3.842 3.884 . 0 0 "[ . 1 . 2]" 2
406 1 85 ILE HB 1 85 ILE MD . . 3.200 2.186 2.055 2.377 . 0 0 "[ . 1 . 2]" 2
407 1 81 LEU HG 1 85 ILE MD . . 3.720 2.246 1.983 2.574 . 0 0 "[ . 1 . 2]" 2
408 1 84 HIS HD2 1 85 ILE MD . . 4.570 4.477 4.220 4.576 0.006 19 0 "[ . 1 . 2]" 2
409 1 7 GLY QA 1 8 VAL HA . . 4.490 3.971 3.932 4.065 . 0 0 "[ . 1 . 2]" 2
410 1 12 ILE MD 1 30 HIS HB3 . . 4.520 3.972 3.100 4.521 0.001 8 0 "[ . 1 . 2]" 2
411 1 12 ILE H 1 12 ILE MD . . 4.190 3.048 2.645 3.536 . 0 0 "[ . 1 . 2]" 2
412 1 12 ILE MD 1 30 HIS HD2 . . 3.790 2.146 1.967 2.795 . 0 0 "[ . 1 . 2]" 2
413 1 11 GLU HG2 1 12 ILE MD . . 5.100 2.423 2.117 3.131 . 0 0 "[ . 1 . 2]" 2
414 1 12 ILE MD 1 27 LYS HG2 . . 4.650 2.680 1.954 3.011 . 0 0 "[ . 1 . 2]" 2
415 1 12 ILE MD 1 12 ILE MG . . 3.040 2.848 2.418 3.017 . 0 0 "[ . 1 . 2]" 2
416 1 67 ILE HA 1 74 GLY HA2 . . 3.680 1.976 1.971 1.980 . 0 0 "[ . 1 . 2]" 2
417 1 67 ILE MD 1 74 GLY HA2 . . 4.390 4.221 4.145 4.310 . 0 0 "[ . 1 . 2]" 2
418 1 67 ILE HA 1 74 GLY HA3 . . 3.950 3.602 3.575 3.625 . 0 0 "[ . 1 . 2]" 2
419 1 64 LYS H 1 74 GLY HA3 . . 3.990 3.775 3.584 3.994 0.004 15 0 "[ . 1 . 2]" 2
420 1 74 GLY HA3 1 75 PHE QD . . 4.720 4.498 4.339 4.720 0.000 10 0 "[ . 1 . 2]" 2
421 1 45 PHE HB2 1 51 MET HB3 . . 4.630 2.298 2.138 2.400 . 0 0 "[ . 1 . 2]" 2
422 1 75 PHE HB3 1 80 HIS QB . . 3.450 2.084 1.971 2.211 . 0 0 "[ . 1 . 2]" 2
423 1 75 PHE HB3 1 81 LEU HB2 . . 4.360 3.887 3.721 4.096 . 0 0 "[ . 1 . 2]" 2
424 1 75 PHE HB2 1 77 ARG H . . 4.560 4.375 4.176 4.503 . 0 0 "[ . 1 . 2]" 2
425 1 75 PHE HB2 1 80 HIS QB . . 3.990 3.164 2.912 3.302 . 0 0 "[ . 1 . 2]" 2
426 1 75 PHE HB2 1 81 LEU MD1 . . 5.420 3.563 3.426 3.827 . 0 0 "[ . 1 . 2]" 2
427 1 75 PHE HB2 1 81 LEU MD2 . . 5.420 4.050 3.807 4.242 . 0 0 "[ . 1 . 2]" 2
428 1 56 ARG HA 1 56 ARG QD . . 3.820 2.444 2.032 2.939 . 0 0 "[ . 1 . 2]" 2
429 1 77 ARG HB3 1 77 ARG HD3 . . 4.080 3.571 3.251 3.989 . 0 0 "[ . 1 . 2]" 2
430 1 43 LEU HB3 1 45 PHE QE . . 4.300 3.098 2.751 3.383 . 0 0 "[ . 1 . 2]" 2
431 1 38 CYS HB3 1 43 LEU HB3 . . 5.500 5.129 4.878 5.513 0.013 20 0 "[ . 1 . 2]" 2
432 1 43 LEU HB2 1 45 PHE QE . . 4.010 3.032 2.702 3.309 . 0 0 "[ . 1 . 2]" 2
433 1 44 ARG H 1 44 ARG HD3 . . 4.710 3.746 2.976 4.693 . 0 0 "[ . 1 . 2]" 2
434 1 17 PHE HB3 1 22 HIS HB3 . . 4.480 3.169 2.537 3.804 . 0 0 "[ . 1 . 2]" 2
435 1 25 ARG HA 1 25 ARG QD . . 4.010 3.761 3.307 3.942 . 0 0 "[ . 1 . 2]" 2
436 1 45 PHE QD 1 50 ARG QD . . 5.200 4.178 3.448 4.982 . 0 0 "[ . 1 . 2]" 2
437 1 50 ARG QD 1 51 MET H . . 5.500 4.595 4.139 4.850 . 0 0 "[ . 1 . 2]" 2
438 1 47 ARG QG 1 50 ARG QD . . 3.940 3.419 1.972 3.884 . 0 0 "[ . 1 . 2]" 2
439 1 23 LEU MD2 1 27 LYS HE2 . . 4.040 2.834 2.161 3.557 . 0 0 "[ . 1 . 2]" 2
440 1 27 LYS QB 1 27 LYS HE2 . . 4.710 3.666 2.148 4.094 . 0 0 "[ . 1 . 2]" 2
441 1 23 LEU HG 1 27 LYS HE2 . . 4.360 3.123 2.280 3.912 . 0 0 "[ . 1 . 2]" 2
442 1 23 LEU MD2 1 27 LYS HE3 . . 4.040 2.732 1.941 4.040 . 0 0 "[ . 1 . 2]" 2
443 1 28 LEU HB2 1 29 SER H . . 4.770 2.861 2.458 3.002 . 0 0 "[ . 1 . 2]" 2
444 1 17 PHE HB2 1 23 LEU HB3 . . 4.600 4.218 3.933 4.583 . 0 0 "[ . 1 . 2]" 2
445 1 17 PHE HB3 1 23 LEU HB2 . . 4.700 3.287 3.045 3.513 . 0 0 "[ . 1 . 2]" 2
446 1 56 ARG HA 1 59 ASP QB . . 4.300 3.171 2.255 4.302 0.002 13 0 "[ . 1 . 2]" 2
447 1 66 TYR HB3 1 81 LEU HB3 . . 4.760 4.290 4.096 4.484 . 0 0 "[ . 1 . 2]" 2
448 1 75 PHE HB2 1 81 LEU HB3 . . 4.720 4.076 3.918 4.239 . 0 0 "[ . 1 . 2]" 2
449 1 75 PHE HB2 1 81 LEU HB2 . . 3.740 2.513 2.404 2.642 . 0 0 "[ . 1 . 2]" 2
450 1 36 TYR HB2 1 51 MET HB2 . . 4.410 3.796 3.642 4.002 . 0 0 "[ . 1 . 2]" 2
451 1 36 TYR HB2 1 51 MET HG2 . . 4.230 2.546 2.397 2.750 . 0 0 "[ . 1 . 2]" 2
452 1 16 ILE H 1 16 ILE HB . . 3.060 2.561 2.515 2.614 . 0 0 "[ . 1 . 2]" 2
453 1 15 LYS HA 1 16 ILE HB . . 4.780 4.708 4.654 4.771 . 0 0 "[ . 1 . 2]" 2
454 1 85 ILE HB 1 86 LYS H . . 3.620 2.802 2.591 3.051 . 0 0 "[ . 1 . 2]" 2
455 1 82 ASN HA 1 85 ILE HB . . 3.890 3.537 3.243 3.817 . 0 0 "[ . 1 . 2]" 2
456 1 81 LEU HB3 1 82 ASN QB . . 4.580 4.268 4.197 4.383 . 0 0 "[ . 1 . 2]" 2
457 1 66 TYR HB3 1 81 LEU HB2 . . 4.250 4.146 3.861 4.249 . 0 0 "[ . 1 . 2]" 2
458 1 66 TYR HB3 1 78 PRO HA . . 4.470 3.936 3.662 4.163 . 0 0 "[ . 1 . 2]" 2
459 1 66 TYR HB2 1 78 PRO HA . . 4.470 3.267 3.032 3.422 . 0 0 "[ . 1 . 2]" 2
460 1 66 TYR HB2 1 81 LEU HB2 . . 4.250 3.790 3.541 3.916 . 0 0 "[ . 1 . 2]" 2
461 1 21 TYR HB3 1 22 HIS H . . 4.060 3.469 2.894 4.054 . 0 0 "[ . 1 . 2]" 2
462 1 21 TYR H 1 21 TYR HB3 . . 3.680 3.517 3.425 3.584 . 0 0 "[ . 1 . 2]" 2
463 1 21 TYR H 1 21 TYR HB2 . . 3.680 2.308 2.116 2.701 . 0 0 "[ . 1 . 2]" 2
464 1 35 PRO HG3 1 36 TYR QD . . 4.730 3.541 3.401 3.663 . 0 0 "[ . 1 . 2]" 2
465 1 35 PRO HG2 1 36 TYR QD . . 3.900 2.150 2.043 2.232 . 0 0 "[ . 1 . 2]" 2
466 1 36 TYR QD 1 45 PHE QD . . 5.500 5.490 5.385 5.511 0.011 14 0 "[ . 1 . 2]" 2
467 1 36 TYR QD 1 51 MET H . . 5.500 5.422 5.265 5.509 0.009 10 0 "[ . 1 . 2]" 2
468 1 50 ARG QD 1 53 TYR QD . . 4.770 4.408 3.937 4.767 . 0 0 "[ . 1 . 2]" 2
469 1 53 TYR QD 1 54 HIS H . . 5.300 4.667 4.236 4.819 . 0 0 "[ . 1 . 2]" 2
470 1 53 TYR QD 1 57 SER H . . 5.500 4.999 4.467 5.403 . 0 0 "[ . 1 . 2]" 2
471 1 53 TYR HA 1 53 TYR QD . . 3.620 2.255 2.014 2.637 . 0 0 "[ . 1 . 2]" 2
472 1 21 TYR QD 1 22 HIS H . . 4.770 4.432 4.129 4.694 . 0 0 "[ . 1 . 2]" 2
473 1 75 PHE QD 1 80 HIS QB . . 3.330 2.032 1.969 2.254 . 0 0 "[ . 1 . 2]" 2
474 1 75 PHE QD 1 81 LEU HB3 . . 4.740 4.712 4.654 4.745 0.005 10 0 "[ . 1 . 2]" 2
475 1 75 PHE QD 1 81 LEU HB2 . . 3.960 3.112 3.047 3.162 . 0 0 "[ . 1 . 2]" 2
476 1 55 VAL HA 1 57 SER H . . 4.680 4.257 4.127 4.323 . 0 0 "[ . 1 . 2]" 2
477 1 55 VAL HA 1 58 HIS HD2 . . 3.040 2.236 2.013 2.452 . 0 0 "[ . 1 . 2]" 2
478 1 55 VAL HA 1 58 HIS HB2 . . 4.280 3.928 3.721 4.283 0.003 10 0 "[ . 1 . 2]" 2
479 1 55 VAL HA 1 55 VAL MG2 . . 3.380 2.376 2.343 2.432 . 0 0 "[ . 1 . 2]" 2
480 1 75 PHE QE 1 80 HIS QB . . 4.190 3.593 3.462 3.762 . 0 0 "[ . 1 . 2]" 2
481 1 85 ILE HA 1 88 VAL H . . 4.610 4.397 4.145 4.555 . 0 0 "[ . 1 . 2]" 2
482 1 85 ILE HA 1 89 HIS H . . 4.050 3.234 2.812 3.620 . 0 0 "[ . 1 . 2]" 2
483 1 85 ILE HA 1 89 HIS HD2 . . 3.080 2.351 2.103 2.762 . 0 0 "[ . 1 . 2]" 2
484 1 85 ILE HA 1 89 HIS HB2 . . 3.700 2.680 2.481 2.877 . 0 0 "[ . 1 . 2]" 2
485 1 85 ILE HA 1 85 ILE HG13 . . 3.610 2.741 2.556 2.956 . 0 0 "[ . 1 . 2]" 2
486 1 85 ILE HA 1 85 ILE HG12 . . 3.400 2.781 2.591 2.984 . 0 0 "[ . 1 . 2]" 2
487 1 87 GLN H 1 87 GLN HG3 . . 4.570 4.289 3.668 4.576 0.006 3 0 "[ . 1 . 2]" 2
488 1 87 GLN HA 1 87 GLN HG3 . . 4.200 2.832 2.375 3.624 . 0 0 "[ . 1 . 2]" 2
489 1 15 LYS HB2 1 16 ILE H . . 4.450 4.257 4.164 4.386 . 0 0 "[ . 1 . 2]" 2
490 1 15 LYS HB3 1 16 ILE H . . 3.890 3.147 2.997 3.352 . 0 0 "[ . 1 . 2]" 2
491 1 68 CYS HB2 1 73 LYS HB2 . . 4.660 4.619 4.465 4.637 . 0 0 "[ . 1 . 2]" 2
492 1 68 CYS HB3 1 73 LYS HB2 . . 4.750 4.758 4.678 4.768 0.018 8 0 "[ . 1 . 2]" 2
493 1 73 LYS HB2 1 75 PHE QE . . 4.390 4.365 4.227 4.395 0.005 10 0 "[ . 1 . 2]" 2
494 1 73 LYS HB3 1 74 GLY H . . 4.250 1.941 1.937 1.946 . 0 0 "[ . 1 . 2]" 2
495 1 37 SER HB3 1 38 CYS H . . 4.060 3.908 3.454 4.064 0.004 6 0 "[ . 1 . 2]" 2
496 1 37 SER HB3 1 44 ARG HG2 . . 4.900 3.885 3.012 4.697 . 0 0 "[ . 1 . 2]" 2
497 1 37 SER HB3 1 44 ARG HG3 . . 3.990 3.115 2.228 3.919 . 0 0 "[ . 1 . 2]" 2
498 1 37 SER HB2 1 44 ARG HG2 . . 4.900 3.791 2.735 4.763 . 0 0 "[ . 1 . 2]" 2
499 1 37 SER HB2 1 38 CYS H . . 4.060 3.136 2.622 4.025 . 0 0 "[ . 1 . 2]" 2
500 1 37 SER HB2 1 44 ARG HG3 . . 3.990 2.617 1.998 3.600 . 0 0 "[ . 1 . 2]" 2
501 1 20 VAL HA 1 24 ASN H . . 4.510 4.417 4.135 4.511 0.001 8 0 "[ . 1 . 2]" 2
502 1 20 VAL HA 1 23 LEU H . . 3.890 3.185 3.011 3.422 . 0 0 "[ . 1 . 2]" 2
503 1 17 PHE HB3 1 20 VAL HA . . 5.200 4.590 4.360 5.044 . 0 0 "[ . 1 . 2]" 2
504 1 19 ASP QB 1 20 VAL HA . . 5.490 4.330 4.205 4.517 . 0 0 "[ . 1 . 2]" 2
505 1 20 VAL HA 1 23 LEU HB3 . . 2.870 2.603 2.335 2.846 . 0 0 "[ . 1 . 2]" 2
506 1 20 VAL HA 1 23 LEU HB2 . . 3.620 3.283 2.884 3.621 0.001 2 0 "[ . 1 . 2]" 2
507 1 20 VAL HA 1 20 VAL MG1 . . 3.420 2.296 2.209 2.404 . 0 0 "[ . 1 . 2]" 2
508 1 20 VAL HA 1 20 VAL MG2 . . 3.420 2.486 2.304 3.201 . 0 0 "[ . 1 . 2]" 2
509 1 77 ARG HB3 1 78 PRO HD2 . . 4.170 2.147 2.061 2.217 . 0 0 "[ . 1 . 2]" 2
510 1 77 ARG HB3 1 78 PRO HD3 . . 5.150 3.564 3.494 3.620 . 0 0 "[ . 1 . 2]" 2
511 1 40 VAL HB 1 42 GLY H . . 5.350 4.945 4.860 5.062 . 0 0 "[ . 1 . 2]" 2
512 1 40 VAL HB 1 41 CYS H . . 3.360 2.060 1.948 2.296 . 0 0 "[ . 1 . 2]" 2
513 1 41 CYS HB3 1 42 GLY H . . 3.890 3.223 3.160 3.265 . 0 0 "[ . 1 . 2]" 2
514 1 40 VAL HA 1 40 VAL MG2 . . 3.270 2.342 2.279 2.419 . 0 0 "[ . 1 . 2]" 2
515 1 13 CYS H 1 13 CYS HB2 . . 3.820 3.723 3.698 3.759 . 0 0 "[ . 1 . 2]" 2
516 1 13 CYS HB2 1 15 LYS H . . 4.810 4.101 3.125 4.571 . 0 0 "[ . 1 . 2]" 2
517 1 13 CYS HA 1 13 CYS HB2 . . 3.020 2.513 2.477 2.545 . 0 0 "[ . 1 . 2]" 2
518 1 12 ILE MG 1 13 CYS HB3 . . 3.980 3.437 3.273 3.619 . 0 0 "[ . 1 . 2]" 2
519 1 44 ARG HB3 1 45 PHE H . . 4.560 3.167 3.015 3.448 . 0 0 "[ . 1 . 2]" 2
520 1 44 ARG H 1 44 ARG HB3 . . 3.800 3.727 3.653 3.781 . 0 0 "[ . 1 . 2]" 2
521 1 64 LYS HB2 1 65 PRO QD . . 4.780 3.463 3.282 3.497 . 0 0 "[ . 1 . 2]" 2
522 1 64 LYS HB3 1 65 PRO QD . . 4.780 1.979 1.951 2.039 . 0 0 "[ . 1 . 2]" 2
523 1 75 PHE HZ 1 84 HIS HB3 . . 4.430 3.702 3.373 4.347 . 0 0 "[ . 1 . 2]" 2
524 1 75 PHE HZ 1 84 HIS HB2 . . 3.910 2.591 2.247 3.185 . 0 0 "[ . 1 . 2]" 2
525 1 66 TYR QD 1 78 PRO HA . . 4.280 2.930 2.753 3.091 . 0 0 "[ . 1 . 2]" 2
526 1 78 PRO HA 1 81 LEU H . . 3.920 3.508 3.404 3.596 . 0 0 "[ . 1 . 2]" 2
527 1 78 PRO HA 1 81 LEU HB2 . . 4.750 3.828 3.717 3.980 . 0 0 "[ . 1 . 2]" 2
528 1 27 LYS QB 1 30 HIS HD2 . . 4.770 4.120 3.694 4.519 . 0 0 "[ . 1 . 2]" 2
529 1 77 ARG HB3 1 80 HIS QB . . 4.490 3.891 3.753 3.999 . 0 0 "[ . 1 . 2]" 2
530 1 36 TYR HB2 1 51 MET HB3 . . 4.750 2.788 2.588 3.181 . 0 0 "[ . 1 . 2]" 2
531 1 12 ILE HA 1 12 ILE HG13 . . 3.710 2.436 2.354 2.599 . 0 0 "[ . 1 . 2]" 2
532 1 12 ILE HA 1 12 ILE HG12 . . 3.550 3.239 2.919 3.409 . 0 0 "[ . 1 . 2]" 2
533 1 12 ILE HA 1 12 ILE MD . . 3.870 3.708 3.547 3.859 . 0 0 "[ . 1 . 2]" 2
534 1 12 ILE HA 1 12 ILE MG . . 3.210 2.337 2.265 2.386 . 0 0 "[ . 1 . 2]" 2
535 1 45 PHE HB2 1 51 MET HG2 . . 4.610 3.770 3.474 3.895 . 0 0 "[ . 1 . 2]" 2
536 1 45 PHE HB3 1 51 MET HG3 . . 5.000 4.957 4.517 5.008 0.008 10 0 "[ . 1 . 2]" 2
537 1 48 LYS HA 1 51 MET HG3 . . 4.330 2.114 2.046 2.286 . 0 0 "[ . 1 . 2]" 2
538 1 45 PHE HB2 1 51 MET HG3 . . 4.500 4.484 4.378 4.502 0.002 5 0 "[ . 1 . 2]" 2
539 1 51 MET HA 1 51 MET HG3 . . 3.830 3.611 3.597 3.615 . 0 0 "[ . 1 . 2]" 2
540 1 29 SER H 1 29 SER HB2 . . 4.160 2.459 2.097 3.217 . 0 0 "[ . 1 . 2]" 2
541 1 38 CYS HB3 1 45 PHE QE . . 4.620 3.834 3.444 4.498 . 0 0 "[ . 1 . 2]" 2
542 1 38 CYS HB2 1 45 PHE QE . . 3.850 2.636 2.275 3.349 . 0 0 "[ . 1 . 2]" 2
543 1 38 CYS HB2 1 39 PRO HD3 . . 5.000 4.752 4.729 4.775 . 0 0 "[ . 1 . 2]" 2
544 1 38 CYS HB2 1 43 LEU HB2 . . 4.350 3.938 3.746 4.186 . 0 0 "[ . 1 . 2]" 2
545 1 62 VAL HA 1 62 VAL MG2 . . 3.560 2.469 2.219 3.203 . 0 0 "[ . 1 . 2]" 2
546 1 51 MET ME 1 52 SER QB . . 4.660 4.667 4.639 4.674 0.014 9 0 "[ . 1 . 2]" 2
547 1 85 ILE HG13 1 89 HIS HD2 . . 4.410 3.999 3.739 4.308 . 0 0 "[ . 1 . 2]" 2
548 1 84 HIS HD2 1 85 ILE HG12 . . 4.160 3.653 3.134 4.131 . 0 0 "[ . 1 . 2]" 2
549 1 52 SER HA 1 55 VAL MG2 . . 4.740 3.611 3.414 3.773 . 0 0 "[ . 1 . 2]" 2
550 1 10 CYS HB3 1 17 PHE QE . . 3.780 3.557 3.202 3.780 . 0 0 "[ . 1 . 2]" 2
551 1 9 ALA HA 1 10 CYS HB2 . . 4.580 4.338 4.249 4.481 . 0 0 "[ . 1 . 2]" 2
552 1 25 ARG H 1 25 ARG HB3 . . 3.750 3.007 2.391 3.605 . 0 0 "[ . 1 . 2]" 2
553 1 25 ARG HB3 1 26 HIS H . . 4.400 3.962 3.668 4.052 . 0 0 "[ . 1 . 2]" 2
554 1 23 LEU HB3 1 27 LYS QD . . 4.500 4.068 3.537 4.500 0.000 5 0 "[ . 1 . 2]" 2
555 1 50 ARG HB2 1 51 MET H . . 3.950 2.490 2.307 3.681 . 0 0 "[ . 1 . 2]" 2
556 1 21 TYR HA 1 24 ASN H . . 4.370 3.592 3.202 3.920 . 0 0 "[ . 1 . 2]" 2
557 1 21 TYR HA 1 21 TYR QD . . 3.640 2.720 2.209 3.087 . 0 0 "[ . 1 . 2]" 2
558 1 21 TYR HA 1 24 ASN HB2 . . 4.370 3.158 2.348 3.868 . 0 0 "[ . 1 . 2]" 2
559 1 68 CYS HB3 1 73 LYS HB3 . . 4.750 4.358 4.280 4.391 . 0 0 "[ . 1 . 2]" 2
560 1 68 CYS HB3 1 84 HIS HD2 . . 4.760 4.611 4.596 4.634 . 0 0 "[ . 1 . 2]" 2
561 1 68 CYS HB3 1 75 PHE QE . . 5.190 4.714 4.421 4.986 . 0 0 "[ . 1 . 2]" 2
562 1 67 ILE HA 1 68 CYS HB3 . . 5.030 5.028 5.019 5.036 0.006 9 0 "[ . 1 . 2]" 2
563 1 67 ILE MG 1 68 CYS HB2 . . 5.500 5.513 5.506 5.522 0.022 14 0 "[ . 1 . 2]" 2
564 1 68 CYS H 1 68 CYS HB2 . . 3.310 2.277 2.273 2.279 . 0 0 "[ . 1 . 2]" 2
565 1 68 CYS HB2 1 84 HIS HD2 . . 3.630 3.634 3.589 3.644 0.014 18 0 "[ . 1 . 2]" 2
566 1 67 ILE HA 1 68 CYS HB2 . . 4.610 4.416 4.407 4.421 . 0 0 "[ . 1 . 2]" 2
567 1 36 TYR QE 1 48 LYS QD . . 4.820 3.253 2.404 4.237 . 0 0 "[ . 1 . 2]" 2
568 1 85 ILE MG 1 89 HIS HB3 . . 4.140 3.688 3.544 3.861 . 0 0 "[ . 1 . 2]" 2
569 1 27 LYS HA 1 29 SER H . . 4.750 4.159 3.849 4.753 0.003 8 0 "[ . 1 . 2]" 2
570 1 26 HIS HD2 1 27 LYS HA . . 3.950 3.250 2.850 3.581 . 0 0 "[ . 1 . 2]" 2
571 1 27 LYS HA 1 30 HIS HD2 . . 3.220 2.338 1.999 2.724 . 0 0 "[ . 1 . 2]" 2
572 1 27 LYS HA 1 27 LYS HG3 . . 3.570 2.873 2.719 3.289 . 0 0 "[ . 1 . 2]" 2
573 1 27 LYS HA 1 27 LYS HG2 . . 3.470 2.682 2.487 2.847 . 0 0 "[ . 1 . 2]" 2
574 1 23 LEU MD1 1 27 LYS HA . . 5.500 4.571 4.250 4.917 . 0 0 "[ . 1 . 2]" 2
575 1 54 HIS HB2 1 55 VAL H . . 4.170 3.876 3.779 4.153 . 0 0 "[ . 1 . 2]" 2
576 1 54 HIS H 1 54 HIS HB2 . . 3.630 2.759 2.702 2.902 . 0 0 "[ . 1 . 2]" 2
577 1 51 MET HA 1 54 HIS HB2 . . 4.010 3.315 3.210 3.478 . 0 0 "[ . 1 . 2]" 2
578 1 84 HIS HB3 1 84 HIS HD2 . . 3.890 2.873 2.851 2.884 . 0 0 "[ . 1 . 2]" 2
579 1 45 PHE QE 1 54 HIS HB3 . . 4.500 3.808 3.576 4.121 . 0 0 "[ . 1 . 2]" 2
580 1 54 HIS HB3 1 55 VAL HA . . 5.130 4.341 4.265 4.530 . 0 0 "[ . 1 . 2]" 2
581 1 75 PHE QE 1 84 HIS HB2 . . 4.190 3.209 3.050 3.497 . 0 0 "[ . 1 . 2]" 2
582 1 44 ARG H 1 44 ARG HG2 . . 4.630 4.583 4.342 4.688 0.058 10 0 "[ . 1 . 2]" 2
583 1 44 ARG H 1 44 ARG HG3 . . 4.150 3.549 3.208 3.879 . 0 0 "[ . 1 . 2]" 2
584 1 11 GLU HG2 1 12 ILE HG13 . . 4.730 2.896 2.350 3.484 . 0 0 "[ . 1 . 2]" 2
585 1 12 ILE H 1 12 ILE HG12 . . 4.500 4.460 4.396 4.503 0.003 19 0 "[ . 1 . 2]" 2
586 1 16 ILE HA 1 17 PHE QD . . 4.200 2.998 2.882 3.137 . 0 0 "[ . 1 . 2]" 2
587 1 15 LYS HA 1 16 ILE HA . . 4.650 4.362 4.353 4.370 . 0 0 "[ . 1 . 2]" 2
588 1 16 ILE H 1 16 ILE HG13 . . 3.910 3.675 3.010 3.907 . 0 0 "[ . 1 . 2]" 2
589 1 54 HIS HA 1 56 ARG H . . 5.290 4.968 4.794 5.217 . 0 0 "[ . 1 . 2]" 2
590 1 67 ILE HA 1 67 ILE HG12 . . 4.190 3.599 3.598 3.600 . 0 0 "[ . 1 . 2]" 2
591 1 67 ILE HG13 1 74 GLY HA2 . . 5.500 5.345 5.306 5.386 . 0 0 "[ . 1 . 2]" 2
592 1 67 ILE HA 1 81 LEU MD1 . . 4.690 3.152 2.984 3.492 . 0 0 "[ . 1 . 2]" 2
593 1 67 ILE HA 1 81 LEU MD2 . . 4.690 3.426 3.110 3.866 . 0 0 "[ . 1 . 2]" 2
594 1 36 TYR QD 1 48 LYS HA . . 4.360 3.984 3.685 4.217 . 0 0 "[ . 1 . 2]" 2
595 1 48 LYS HA 1 51 MET HG2 . . 3.380 2.317 2.182 2.481 . 0 0 "[ . 1 . 2]" 2
596 1 48 LYS HA 1 48 LYS QD . . 4.170 3.417 2.345 3.844 . 0 0 "[ . 1 . 2]" 2
597 1 48 LYS HA 1 48 LYS HG2 . . 4.080 2.790 2.036 3.714 . 0 0 "[ . 1 . 2]" 2
598 1 51 MET HA 1 51 MET ME . . 5.240 4.160 4.105 4.370 . 0 0 "[ . 1 . 2]" 2
599 1 51 MET HA 1 54 HIS H . . 4.450 3.207 2.966 3.364 . 0 0 "[ . 1 . 2]" 2
600 1 45 PHE QE 1 51 MET HA . . 4.580 3.927 3.790 4.267 . 0 0 "[ . 1 . 2]" 2
601 1 51 MET HA 1 54 HIS HB3 . . 3.570 2.167 1.996 2.248 . 0 0 "[ . 1 . 2]" 2
602 1 38 CYS HB2 1 51 MET HA . . 5.500 5.047 4.943 5.403 . 0 0 "[ . 1 . 2]" 2
603 1 24 ASN HA 1 27 LYS HG3 . . 4.540 3.863 3.591 4.069 . 0 0 "[ . 1 . 2]" 2
604 1 23 LEU MD2 1 27 LYS HG3 . . 4.610 3.806 3.412 4.262 . 0 0 "[ . 1 . 2]" 2
605 1 23 LEU MD2 1 27 LYS HG2 . . 4.980 4.234 3.828 4.614 . 0 0 "[ . 1 . 2]" 2
606 1 23 LEU MD1 1 27 LYS HG2 . . 5.220 3.324 2.467 3.626 . 0 0 "[ . 1 . 2]" 2
607 1 25 ARG H 1 25 ARG HG2 . . 4.210 2.965 2.335 3.250 . 0 0 "[ . 1 . 2]" 2
608 1 25 ARG HA 1 25 ARG HG2 . . 4.210 3.362 2.419 4.209 . 0 0 "[ . 1 . 2]" 2
609 1 26 HIS HA 1 28 LEU HB2 . . 5.500 4.834 4.544 5.209 . 0 0 "[ . 1 . 2]" 2
610 1 8 VAL H 1 18 ARG HA . . 4.690 4.510 3.945 4.692 0.002 8 0 "[ . 1 . 2]" 2
611 1 28 LEU H 1 28 LEU HG . . 3.480 2.653 2.219 3.476 . 0 0 "[ . 1 . 2]" 2
612 1 25 ARG HA 1 28 LEU HG . . 4.550 3.853 3.410 4.319 . 0 0 "[ . 1 . 2]" 2
613 1 65 PRO HG3 1 66 TYR H . . 4.460 3.597 3.566 3.745 . 0 0 "[ . 1 . 2]" 2
614 1 15 LYS H 1 15 LYS HG3 . . 4.490 3.526 2.756 4.311 . 0 0 "[ . 1 . 2]" 2
615 1 15 LYS H 1 15 LYS HG2 . . 4.490 4.214 3.951 4.455 . 0 0 "[ . 1 . 2]" 2
616 1 12 ILE MG 1 13 CYS HA . . 4.170 3.757 3.553 3.888 . 0 0 "[ . 1 . 2]" 2
617 1 87 GLN HA 1 87 GLN HG2 . . 4.200 2.568 2.025 3.573 . 0 0 "[ . 1 . 2]" 2
618 1 23 LEU MD2 1 24 ASN HA . . 4.760 4.630 4.439 4.760 . 2 0 "[ . 1 . 2]" 2
619 1 20 VAL HA 1 23 LEU MD2 . . 3.990 3.129 2.782 3.439 . 0 0 "[ . 1 . 2]" 2
620 1 23 LEU HB3 1 23 LEU MD2 . . 3.240 2.159 2.118 2.258 . 0 0 "[ . 1 . 2]" 2
621 1 73 LYS HG2 1 74 GLY H . . 4.420 2.695 2.665 2.728 . 0 0 "[ . 1 . 2]" 2
622 1 15 LYS HA 1 15 LYS HG3 . . 3.660 2.609 2.259 2.961 . 0 0 "[ . 1 . 2]" 2
623 1 15 LYS HA 1 15 LYS HG2 . . 3.660 2.973 2.479 3.619 . 0 0 "[ . 1 . 2]" 2
624 1 50 ARG HA 1 50 ARG QD . . 3.610 2.297 1.971 3.090 . 0 0 "[ . 1 . 2]" 2
625 1 50 ARG HA 1 53 TYR QB . . 3.530 3.071 2.857 3.533 0.003 7 0 "[ . 1 . 2]" 2
626 1 73 LYS H 1 73 LYS HA . . 2.920 2.890 2.836 2.908 . 0 0 "[ . 1 . 2]" 2
627 1 73 LYS HA 1 74 GLY HA3 . . 4.770 4.533 4.531 4.536 . 0 0 "[ . 1 . 2]" 2
628 1 23 LEU HA 1 26 HIS H . . 4.160 3.359 3.204 3.502 . 0 0 "[ . 1 . 2]" 2
629 1 17 PHE QD 1 23 LEU HA . . 4.350 3.361 3.249 3.563 . 0 0 "[ . 1 . 2]" 2
630 1 17 PHE HB3 1 23 LEU HA . . 4.440 4.311 4.143 4.413 . 0 0 "[ . 1 . 2]" 2
631 1 23 LEU HA 1 26 HIS HB3 . . 3.720 2.475 2.277 2.618 . 0 0 "[ . 1 . 2]" 2
632 1 23 LEU HA 1 26 HIS HB2 . . 3.720 3.358 3.204 3.680 . 0 0 "[ . 1 . 2]" 2
633 1 75 PHE QD 1 81 LEU HA . . 4.070 3.418 3.094 3.558 . 0 0 "[ . 1 . 2]" 2
634 1 75 PHE HB2 1 81 LEU HA . . 4.040 3.743 3.434 3.940 . 0 0 "[ . 1 . 2]" 2
635 1 81 LEU HA 1 84 HIS HB2 . . 4.390 3.452 3.198 3.838 . 0 0 "[ . 1 . 2]" 2
636 1 81 LEU HA 1 81 LEU HG . . 4.200 3.154 3.049 3.376 . 0 0 "[ . 1 . 2]" 2
637 1 69 GLN HA 1 69 GLN QG . . 3.750 2.621 2.037 3.381 . 0 0 "[ . 1 . 2]" 2
638 1 34 LYS HA 1 34 LYS HG3 . . 4.120 3.703 3.007 3.832 . 0 0 "[ . 1 . 2]" 2
639 1 34 LYS HA 1 34 LYS HG2 . . 4.120 3.248 2.228 3.753 . 0 0 "[ . 1 . 2]" 2
640 1 48 LYS HA 1 48 LYS HG3 . . 4.080 2.763 2.105 3.465 . 0 0 "[ . 1 . 2]" 2
641 1 86 LYS H 1 86 LYS HG3 . . 4.790 3.978 2.797 4.533 . 0 0 "[ . 1 . 2]" 2
642 1 43 LEU HA 1 44 ARG HB2 . . 4.720 4.445 4.301 4.723 0.003 20 0 "[ . 1 . 2]" 2
643 1 43 LEU HA 1 43 LEU HG . . 4.200 2.216 2.175 2.328 . 0 0 "[ . 1 . 2]" 2
644 1 43 LEU HA 1 43 LEU MD1 . . 3.760 3.508 3.247 3.648 . 0 0 "[ . 1 . 2]" 2
645 1 64 LYS HA 1 64 LYS HG3 . . 4.090 3.031 2.442 3.861 . 0 0 "[ . 1 . 2]" 2
646 1 82 ASN HA 1 85 ILE H . . 4.230 3.838 3.557 4.061 . 0 0 "[ . 1 . 2]" 2
647 1 82 ASN HA 1 86 LYS H . . 5.340 5.004 4.635 5.314 . 0 0 "[ . 1 . 2]" 2
648 1 82 ASN HA 1 85 ILE HG13 . . 4.530 3.867 3.387 4.410 . 0 0 "[ . 1 . 2]" 2
649 1 81 LEU HG 1 82 ASN HA . . 5.280 3.787 3.354 3.987 . 0 0 "[ . 1 . 2]" 2
650 1 82 ASN HA 1 85 ILE HG12 . . 5.410 4.923 4.565 5.340 . 0 0 "[ . 1 . 2]" 2
651 1 82 ASN HA 1 85 ILE MD . . 3.420 2.282 1.903 2.950 . 0 0 "[ . 1 . 2]" 2
652 1 43 LEU MD1 1 44 ARG H . . 4.740 4.555 4.469 4.652 . 0 0 "[ . 1 . 2]" 2
653 1 43 LEU MD1 1 45 PHE QE . . 4.760 3.902 3.656 4.132 . 0 0 "[ . 1 . 2]" 2
654 1 49 ASP HA 1 52 SER QB . . 3.540 2.961 2.448 3.554 0.014 16 0 "[ . 1 . 2]" 2
655 1 37 SER HA 1 38 CYS H . . 2.960 2.326 2.279 2.342 . 0 0 "[ . 1 . 2]" 2
656 1 37 SER HA 1 45 PHE H . . 4.240 2.965 2.703 3.301 . 0 0 "[ . 1 . 2]" 2
657 1 37 SER HA 1 38 CYS HB2 . . 4.520 4.368 4.343 4.390 . 0 0 "[ . 1 . 2]" 2
658 1 37 SER HA 1 44 ARG HG3 . . 4.060 3.823 2.976 4.059 . 0 0 "[ . 1 . 2]" 2
659 1 37 SER HA 1 44 ARG HG2 . . 5.240 4.942 4.056 5.244 0.004 14 0 "[ . 1 . 2]" 2
660 1 79 ASP HA 1 82 ASN H . . 3.940 3.182 3.030 3.479 . 0 0 "[ . 1 . 2]" 2
661 1 77 ARG HB3 1 79 ASP HA . . 5.390 5.253 5.169 5.289 . 0 0 "[ . 1 . 2]" 2
662 1 55 VAL H 1 55 VAL MG1 . . 3.910 3.764 3.760 3.777 . 0 0 "[ . 1 . 2]" 2
663 1 55 VAL MG1 1 56 ARG H . . 4.030 3.159 3.004 3.297 . 0 0 "[ . 1 . 2]" 2
664 1 55 VAL MG1 1 58 HIS HD2 . . 4.170 3.435 2.936 3.687 . 0 0 "[ . 1 . 2]" 2
665 1 39 PRO HD3 1 55 VAL MG1 . . 3.960 3.661 3.144 3.863 . 0 0 "[ . 1 . 2]" 2
666 1 52 SER HA 1 55 VAL MG1 . . 4.740 4.735 4.701 4.753 0.013 20 0 "[ . 1 . 2]" 2
667 1 55 VAL HA 1 55 VAL MG1 . . 3.380 2.331 2.306 2.390 . 0 0 "[ . 1 . 2]" 2
668 1 43 LEU MD2 1 44 ARG H . . 4.740 2.652 2.391 3.229 . 0 0 "[ . 1 . 2]" 2
669 1 43 LEU HA 1 43 LEU MD2 . . 3.760 3.054 2.834 3.419 . 0 0 "[ . 1 . 2]" 2
670 1 43 LEU HB3 1 43 LEU MD2 . . 3.590 2.083 2.005 2.143 . 0 0 "[ . 1 . 2]" 2
671 1 37 SER HB2 1 44 ARG HA . . 5.060 2.887 2.218 3.765 . 0 0 "[ . 1 . 2]" 2
672 1 37 SER HB3 1 44 ARG HA . . 5.060 3.363 2.313 4.613 . 0 0 "[ . 1 . 2]" 2
673 1 44 ARG HA 1 44 ARG HD3 . . 4.750 4.328 3.857 4.797 0.047 20 0 "[ . 1 . 2]" 2
674 1 44 ARG HA 1 44 ARG HG2 . . 3.850 3.253 3.062 3.416 . 0 0 "[ . 1 . 2]" 2
675 1 44 ARG HA 1 44 ARG HG3 . . 3.480 2.329 2.205 2.475 . 0 0 "[ . 1 . 2]" 2
676 1 44 ARG HA 1 44 ARG HD2 . . 4.750 4.245 3.775 4.608 . 0 0 "[ . 1 . 2]" 2
677 1 23 LEU H 1 23 LEU MD1 . . 4.620 4.164 3.967 4.258 . 0 0 "[ . 1 . 2]" 2
678 1 17 PHE QE 1 23 LEU MD1 . . 3.370 2.561 2.372 2.712 . 0 0 "[ . 1 . 2]" 2
679 1 23 LEU HA 1 23 LEU MD1 . . 3.070 2.152 1.983 2.331 . 0 0 "[ . 1 . 2]" 2
680 1 17 PHE HB3 1 23 LEU MD1 . . 5.000 4.291 3.965 4.581 . 0 0 "[ . 1 . 2]" 2
681 1 10 CYS HB2 1 23 LEU MD1 . . 3.330 2.754 2.269 2.969 . 0 0 "[ . 1 . 2]" 2
682 1 17 PHE HB2 1 23 LEU MD1 . . 4.060 3.432 3.122 3.750 . 0 0 "[ . 1 . 2]" 2
683 1 17 PHE H 1 23 LEU MD1 . . 4.730 4.548 4.148 4.729 . 0 0 "[ . 1 . 2]" 2
684 1 23 LEU MD1 1 27 LYS H . . 4.940 3.760 3.331 3.940 . 0 0 "[ . 1 . 2]" 2
685 1 17 PHE QD 1 23 LEU MD1 . . 3.420 2.491 2.332 2.716 . 0 0 "[ . 1 . 2]" 2
686 1 23 LEU MD1 1 27 LYS HG3 . . 3.660 2.711 2.337 2.996 . 0 0 "[ . 1 . 2]" 2
687 1 28 LEU HB3 1 28 LEU MD2 . . 3.480 2.160 2.008 2.325 . 0 0 "[ . 1 . 2]" 2
688 1 35 PRO QD 1 36 TYR QE . . 5.200 4.995 4.928 5.039 . 0 0 "[ . 1 . 2]" 2
689 1 36 TYR QE 1 48 LYS QE . . 4.440 2.379 1.920 3.210 . 0 0 "[ . 1 . 2]" 2
690 1 65 PRO HG3 1 66 TYR QE . . 4.450 4.356 4.155 4.451 0.001 5 0 "[ . 1 . 2]" 2
691 1 8 VAL H 1 8 VAL MG1 . . 3.890 2.489 1.922 3.837 . 0 0 "[ . 1 . 2]" 2
692 1 8 VAL MG1 1 9 ALA H . . 4.370 3.632 2.380 3.938 . 0 0 "[ . 1 . 2]" 2
693 1 8 VAL MG1 1 17 PHE HB2 . . 4.610 3.406 1.946 4.611 0.001 16 0 "[ . 1 . 2]" 2
694 1 34 LYS HA 1 44 ARG HG2 . . 5.500 4.805 3.480 5.353 . 0 0 "[ . 1 . 2]" 2
695 1 19 ASP QB 1 20 VAL MG1 . . 5.500 5.047 3.913 5.470 . 0 0 "[ . 1 . 2]" 2
696 1 88 VAL H 1 88 VAL MG2 . . 4.310 2.337 2.146 2.699 . 0 0 "[ . 1 . 2]" 2
697 1 88 VAL HA 1 88 VAL MG2 . . 3.280 2.332 2.279 2.408 . 0 0 "[ . 1 . 2]" 2
698 1 64 LYS HA 1 65 PRO QD . . 3.020 2.137 2.090 2.156 . 0 0 "[ . 1 . 2]" 2
699 1 64 LYS HA 1 64 LYS HG2 . . 4.090 3.348 2.876 3.638 . 0 0 "[ . 1 . 2]" 2
700 1 55 VAL H 1 55 VAL MG2 . . 3.910 2.220 2.051 2.454 . 0 0 "[ . 1 . 2]" 2
701 1 55 VAL MG2 1 56 ARG H . . 4.030 3.727 3.681 3.768 . 0 0 "[ . 1 . 2]" 2
702 1 55 VAL MG2 1 58 HIS HD2 . . 4.170 3.910 3.684 4.096 . 0 0 "[ . 1 . 2]" 2
703 1 39 PRO HD3 1 55 VAL MG2 . . 3.960 3.016 2.886 3.151 . 0 0 "[ . 1 . 2]" 2
704 1 88 VAL H 1 88 VAL MG1 . . 4.310 3.790 3.764 3.870 . 0 0 "[ . 1 . 2]" 2
705 1 62 VAL MG1 1 63 GLY QA . . 5.220 3.953 3.288 5.254 0.034 11 0 "[ . 1 . 2]" 2
706 1 40 VAL MG1 1 41 CYS H . . 4.050 2.995 2.731 3.223 . 0 0 "[ . 1 . 2]" 2
707 1 40 VAL HA 1 40 VAL MG1 . . 3.270 2.325 2.214 2.371 . 0 0 "[ . 1 . 2]" 2
708 1 40 VAL MG1 1 58 HIS HB3 . . 4.220 3.669 3.264 3.848 . 0 0 "[ . 1 . 2]" 2
709 1 9 ALA MB 1 10 CYS H . . 3.550 3.152 2.920 3.326 . 0 0 "[ . 1 . 2]" 2
710 1 9 ALA MB 1 14 GLY HA2 . . 3.870 3.765 3.558 3.865 . 0 0 "[ . 1 . 2]" 2
711 1 62 VAL H 1 62 VAL MG2 . . 4.490 2.846 1.928 3.980 . 0 0 "[ . 1 . 2]" 2
712 1 7 GLY QA 1 8 VAL MG2 . . 5.070 4.172 3.332 5.052 . 0 0 "[ . 1 . 2]" 2
713 1 8 VAL MG2 1 17 PHE HB2 . . 4.610 3.062 1.909 4.520 . 0 0 "[ . 1 . 2]" 2
714 1 40 VAL MG2 1 58 HIS HD2 . . 4.470 3.374 2.804 3.678 . 0 0 "[ . 1 . 2]" 2
715 1 40 VAL MG2 1 41 CYS H . . 4.050 3.596 3.496 3.701 . 0 0 "[ . 1 . 2]" 2
716 1 39 PRO HD3 1 40 VAL H . . 4.170 3.874 3.837 3.943 . 0 0 "[ . 1 . 2]" 2
717 1 39 PRO HD2 1 55 VAL MG1 . . 4.530 3.030 2.435 3.278 . 0 0 "[ . 1 . 2]" 2
718 1 35 PRO QD 1 36 TYR QD . . 4.000 3.990 3.904 4.007 0.007 20 0 "[ . 1 . 2]" 2
719 1 35 PRO QD 1 46 LYS HA . . 3.150 2.829 2.541 3.156 0.006 10 0 "[ . 1 . 2]" 2
720 1 9 ALA HA 1 10 CYS H . . 2.890 2.154 2.140 2.209 . 0 0 "[ . 1 . 2]" 2
721 1 9 ALA HA 1 17 PHE QD . . 4.690 3.632 3.461 3.996 . 0 0 "[ . 1 . 2]" 2
722 1 9 ALA HA 1 16 ILE HA . . 3.040 2.285 1.998 2.505 . 0 0 "[ . 1 . 2]" 2
723 1 9 ALA HA 1 10 CYS HB3 . . 5.110 4.902 4.703 5.066 . 0 0 "[ . 1 . 2]" 2
724 1 9 ALA HA 1 16 ILE HG12 . . 5.030 4.346 3.845 4.526 . 0 0 "[ . 1 . 2]" 2
725 1 9 ALA HA 1 16 ILE HG13 . . 5.030 4.628 2.364 5.030 0.000 5 0 "[ . 1 . 2]" 2
726 1 9 ALA HA 1 16 ILE MD . . 3.850 2.428 2.006 3.857 0.007 19 0 "[ . 1 . 2]" 2
727 1 78 PRO HD2 1 80 HIS H . . 4.280 4.282 4.270 4.302 0.022 10 0 "[ . 1 . 2]" 2
728 1 77 ARG HG2 1 78 PRO HD2 . . 4.000 2.978 2.745 3.159 . 0 0 "[ . 1 . 2]" 2
729 1 66 TYR QE 1 78 PRO HD2 . . 4.510 4.471 4.348 4.513 0.003 16 0 "[ . 1 . 2]" 2
730 1 77 ARG HG3 1 78 PRO HD2 . . 4.000 2.373 2.126 2.796 . 0 0 "[ . 1 . 2]" 2
731 1 91 GLY HA3 1 92 PRO QD . . 3.580 2.390 2.031 3.456 . 0 0 "[ . 1 . 2]" 2
732 1 16 ILE MG 1 17 PHE H . . 3.310 2.187 1.920 2.479 . 0 0 "[ . 1 . 2]" 2
733 1 16 ILE HA 1 16 ILE MG . . 3.170 2.296 2.227 2.366 . 0 0 "[ . 1 . 2]" 2
734 1 7 GLY QA 1 16 ILE MG . . 3.190 2.896 2.131 3.190 . 0 0 "[ . 1 . 2]" 2
735 1 9 ALA HA 1 16 ILE MG . . 4.270 3.523 3.142 3.808 . 0 0 "[ . 1 . 2]" 2
736 1 8 VAL HA 1 16 ILE MG . . 4.840 4.369 3.665 4.637 . 0 0 "[ . 1 . 2]" 2
737 1 82 ASN HA 1 85 ILE MG . . 5.040 4.706 4.453 4.901 . 0 0 "[ . 1 . 2]" 2
738 1 85 ILE HA 1 85 ILE MG . . 3.230 2.322 2.299 2.370 . 0 0 "[ . 1 . 2]" 2
739 1 85 ILE MG 1 89 HIS HB2 . . 3.510 2.521 2.363 2.708 . 0 0 "[ . 1 . 2]" 2
740 1 85 ILE HG13 1 85 ILE MG . . 3.660 3.150 3.074 3.199 . 0 0 "[ . 1 . 2]" 2
741 1 85 ILE HG12 1 85 ILE MG . . 3.240 2.218 1.990 2.381 . 0 0 "[ . 1 . 2]" 2
742 1 67 ILE MG 1 74 GLY HA2 . . 4.670 2.088 2.044 2.137 . 0 0 "[ . 1 . 2]" 2
743 1 67 ILE HA 1 67 ILE MG . . 3.430 2.344 2.341 2.347 . 0 0 "[ . 1 . 2]" 2
744 1 67 ILE MG 1 72 GLY HA3 . . 4.640 4.656 4.652 4.661 0.021 11 0 "[ . 1 . 2]" 2
745 1 67 ILE HG12 1 67 ILE MG . . 3.530 3.156 3.155 3.157 . 0 0 "[ . 1 . 2]" 2
746 1 67 ILE MG 1 74 GLY H . . 4.830 3.460 3.410 3.547 . 0 0 "[ . 1 . 2]" 2
747 1 67 ILE MG 1 68 CYS HB3 . . 5.500 5.615 5.611 5.623 0.123 14 0 "[ . 1 . 2]" 2
748 1 67 ILE HG13 1 67 ILE MG . . 3.520 2.571 2.569 2.573 . 0 0 "[ . 1 . 2]" 2
749 1 12 ILE H 1 12 ILE MG . . 4.210 3.893 3.872 3.913 . 0 0 "[ . 1 . 2]" 2
750 1 12 ILE MG 1 13 CYS H . . 3.730 3.476 3.215 3.575 . 0 0 "[ . 1 . 2]" 2
751 1 12 ILE MG 1 30 HIS HD2 . . 4.620 3.484 2.971 4.014 . 0 0 "[ . 1 . 2]" 2
752 1 12 ILE MG 1 13 CYS HB2 . . 5.040 4.879 4.699 5.032 . 0 0 "[ . 1 . 2]" 2
753 1 12 ILE MG 1 30 HIS HB2 . . 4.780 3.990 3.283 4.644 . 0 0 "[ . 1 . 2]" 2
754 1 12 ILE HG12 1 12 ILE MG . . 3.460 2.113 2.039 2.196 . 0 0 "[ . 1 . 2]" 2
755 1 8 VAL MG1 1 20 VAL HA . . 4.390 3.091 2.070 4.010 . 0 0 "[ . 1 . 2]" 2
756 1 7 GLY QA 1 8 VAL MG1 . . 5.070 3.761 3.311 5.002 . 0 0 "[ . 1 . 2]" 2
757 1 8 VAL MG1 1 17 PHE H . . 5.150 4.060 2.662 5.050 . 0 0 "[ . 1 . 2]" 2
758 1 8 VAL MG2 1 17 PHE H . . 5.150 3.631 2.443 4.772 . 0 0 "[ . 1 . 2]" 2
759 1 8 VAL MG2 1 20 VAL HA . . 4.390 3.272 2.403 4.357 . 0 0 "[ . 1 . 2]" 2
760 1 9 ALA MB 1 16 ILE HA . . 3.900 3.515 3.367 3.710 . 0 0 "[ . 1 . 2]" 2
761 1 9 ALA H 1 9 ALA MB . . 3.050 2.431 2.169 2.603 . 0 0 "[ . 1 . 2]" 2
762 1 10 CYS HB2 1 17 PHE QE . . 3.360 2.035 1.999 2.132 . 0 0 "[ . 1 . 2]" 2
763 1 10 CYS HB2 1 13 CYS H . . 4.600 4.216 4.089 4.318 . 0 0 "[ . 1 . 2]" 2
764 1 10 CYS H 1 10 CYS HB2 . . 3.300 2.281 2.182 2.484 . 0 0 "[ . 1 . 2]" 2
765 1 10 CYS HB3 1 13 CYS H . . 3.990 2.661 2.504 2.896 . 0 0 "[ . 1 . 2]" 2
766 1 10 CYS HB3 1 23 LEU MD1 . . 4.130 4.020 3.640 4.130 0.000 13 0 "[ . 1 . 2]" 2
767 1 10 CYS HB3 1 15 LYS HB3 . . 4.960 4.798 4.592 4.961 0.001 8 0 "[ . 1 . 2]" 2
768 1 10 CYS HB3 1 15 LYS HB2 . . 4.400 3.363 3.185 3.675 . 0 0 "[ . 1 . 2]" 2
769 1 11 GLU HB2 1 12 ILE H . . 5.010 4.500 4.461 4.524 . 0 0 "[ . 1 . 2]" 2
770 1 11 GLU HG2 1 12 ILE HG12 . . 4.980 4.334 3.903 4.877 . 0 0 "[ . 1 . 2]" 2
771 1 11 GLU HG3 1 12 ILE HG13 . . 4.730 3.052 2.599 3.497 . 0 0 "[ . 1 . 2]" 2
772 1 11 GLU HG3 1 12 ILE HG12 . . 4.980 4.507 4.049 4.926 . 0 0 "[ . 1 . 2]" 2
773 1 11 GLU HG3 1 12 ILE MD . . 5.100 3.435 2.844 4.013 . 0 0 "[ . 1 . 2]" 2
774 1 12 ILE HA 1 13 CYS HA . . 4.760 4.547 4.539 4.563 . 0 0 "[ . 1 . 2]" 2
775 1 15 LYS HA 1 16 ILE MD . . 4.950 3.963 2.973 4.296 . 0 0 "[ . 1 . 2]" 2
776 1 15 LYS HD2 1 26 HIS HE1 . . 5.500 4.168 2.556 5.501 0.001 7 0 "[ . 1 . 2]" 2
777 1 16 ILE HA 1 16 ILE HG12 . . 3.780 3.190 3.065 3.556 . 0 0 "[ . 1 . 2]" 2
778 1 17 PHE HA 1 17 PHE QD . . 3.730 3.123 3.091 3.137 . 0 0 "[ . 1 . 2]" 2
779 1 17 PHE HA 1 18 ARG HA . . 4.830 4.340 4.314 4.363 . 0 0 "[ . 1 . 2]" 2
780 1 16 ILE MG 1 17 PHE HA . . 4.620 3.613 3.483 3.700 . 0 0 "[ . 1 . 2]" 2
781 1 17 PHE HB2 1 23 LEU HB2 . . 3.880 2.701 2.512 2.935 . 0 0 "[ . 1 . 2]" 2
782 1 8 VAL HB 1 17 PHE HB2 . . 5.030 4.489 2.518 5.032 0.002 8 0 "[ . 1 . 2]" 2
783 1 17 PHE HB2 1 23 LEU HA . . 4.610 4.428 4.181 4.560 . 0 0 "[ . 1 . 2]" 2
784 1 17 PHE H 1 17 PHE HB3 . . 4.110 3.782 3.736 3.825 . 0 0 "[ . 1 . 2]" 2
785 1 16 ILE MG 1 18 ARG HA . . 4.820 4.049 3.920 4.259 . 0 0 "[ . 1 . 2]" 2
786 1 18 ARG HA 1 18 ARG QD . . 4.540 4.227 3.901 4.360 . 0 0 "[ . 1 . 2]" 2
787 1 19 ASP QB 1 20 VAL HB . . 5.250 4.718 4.322 5.251 0.001 2 0 "[ . 1 . 2]" 2
788 1 20 VAL HA 1 23 LEU HA . . 5.500 5.145 4.917 5.422 . 0 0 "[ . 1 . 2]" 2
789 1 20 VAL MG1 1 21 TYR QD . . 4.880 4.105 3.642 4.885 0.005 2 0 "[ . 1 . 2]" 2
790 1 19 ASP QB 1 20 VAL MG2 . . 5.500 4.185 3.088 4.665 . 0 0 "[ . 1 . 2]" 2
791 1 20 VAL MG2 1 21 TYR QD . . 4.880 4.200 2.042 4.879 . 0 0 "[ . 1 . 2]" 2
792 1 21 TYR HA 1 24 ASN HB3 . . 4.370 3.763 3.110 4.284 . 0 0 "[ . 1 . 2]" 2
793 1 21 TYR H 1 21 TYR QE . . 5.030 4.546 4.121 4.999 . 0 0 "[ . 1 . 2]" 2
794 1 22 HIS HB2 1 23 LEU H . . 4.530 3.450 3.125 3.834 . 0 0 "[ . 1 . 2]" 2
795 1 22 HIS HB3 1 23 LEU H . . 4.530 3.072 2.729 3.511 . 0 0 "[ . 1 . 2]" 2
796 1 23 LEU MD2 1 24 ASN H . . 5.020 4.417 4.256 4.535 . 0 0 "[ . 1 . 2]" 2
797 1 23 LEU H 1 23 LEU MD2 . . 4.960 4.166 4.136 4.242 . 0 0 "[ . 1 . 2]" 2
798 1 23 LEU HG 1 27 LYS QD . . 3.690 2.181 1.990 2.482 . 0 0 "[ . 1 . 2]" 2
799 1 26 HIS HA 1 29 SER H . . 4.800 3.409 2.957 4.196 . 0 0 "[ . 1 . 2]" 2
800 1 12 ILE MD 1 27 LYS HA . . 4.920 3.226 2.580 3.662 . 0 0 "[ . 1 . 2]" 2
801 1 23 LEU MD2 1 27 LYS QB . . 5.500 4.877 4.485 5.228 . 0 0 "[ . 1 . 2]" 2
802 1 23 LEU MD1 1 27 LYS QB . . 5.500 4.415 4.014 4.671 . 0 0 "[ . 1 . 2]" 2
803 1 23 LEU HG 1 27 LYS QB . . 4.910 4.107 3.790 4.454 . 0 0 "[ . 1 . 2]" 2
804 1 27 LYS QB 1 27 LYS HG2 . . 2.760 2.277 2.215 2.380 . 0 0 "[ . 1 . 2]" 2
805 1 27 LYS QB 1 27 LYS HE3 . . 4.710 3.749 1.984 4.255 . 0 0 "[ . 1 . 2]" 2
806 1 24 ASN HA 1 27 LYS QB . . 3.610 3.086 2.586 3.365 . 0 0 "[ . 1 . 2]" 2
807 1 27 LYS QB 1 28 LEU H . . 4.480 2.778 2.592 2.971 . 0 0 "[ . 1 . 2]" 2
808 1 23 LEU HG 1 27 LYS HG3 . . 4.240 2.479 2.000 2.969 . 0 0 "[ . 1 . 2]" 2
809 1 12 ILE MD 1 30 HIS HB2 . . 4.520 3.684 2.863 4.006 . 0 0 "[ . 1 . 2]" 2
810 1 12 ILE MG 1 30 HIS HB3 . . 4.780 3.105 2.445 4.310 . 0 0 "[ . 1 . 2]" 2
811 1 33 GLU HA 1 33 GLU HG2 . . 4.220 2.972 2.073 3.793 . 0 0 "[ . 1 . 2]" 2
812 1 33 GLU HA 1 33 GLU HG3 . . 4.220 2.806 2.022 3.705 . 0 0 "[ . 1 . 2]" 2
813 1 35 PRO HG2 1 46 LYS HA . . 4.820 2.337 2.133 2.541 . 0 0 "[ . 1 . 2]" 2
814 1 36 TYR HA 1 51 MET HB2 . . 5.500 4.965 4.798 5.363 . 0 0 "[ . 1 . 2]" 2
815 1 35 PRO HG2 1 36 TYR HA . . 4.670 4.639 4.595 4.671 0.001 7 0 "[ . 1 . 2]" 2
816 1 35 PRO HG2 1 36 TYR HB3 . . 5.300 5.013 4.986 5.046 . 0 0 "[ . 1 . 2]" 2
817 1 36 TYR HB3 1 51 MET HG2 . . 4.450 2.078 1.998 2.490 . 0 0 "[ . 1 . 2]" 2
818 1 36 TYR HB3 1 51 MET HB2 . . 4.290 3.112 2.911 3.451 . 0 0 "[ . 1 . 2]" 2
819 1 36 TYR HB3 1 45 PHE HB2 . . 4.120 3.852 3.751 3.980 . 0 0 "[ . 1 . 2]" 2
820 1 36 TYR HB3 1 48 LYS HA . . 4.650 4.069 3.792 4.463 . 0 0 "[ . 1 . 2]" 2
821 1 36 TYR HB3 1 45 PHE HB3 . . 5.500 5.323 5.137 5.466 . 0 0 "[ . 1 . 2]" 2
822 1 36 TYR HB2 1 45 PHE HB2 . . 3.770 2.550 2.495 2.656 . 0 0 "[ . 1 . 2]" 2
823 1 36 TYR HB2 1 48 LYS HA . . 5.100 4.191 3.891 4.435 . 0 0 "[ . 1 . 2]" 2
824 1 36 TYR HB2 1 45 PHE HB3 . . 4.390 3.907 3.686 4.041 . 0 0 "[ . 1 . 2]" 2
825 1 35 PRO HG2 1 36 TYR HB2 . . 4.540 3.733 3.704 3.759 . 0 0 "[ . 1 . 2]" 2
826 1 36 TYR HB2 1 51 MET HG3 . . 5.160 4.084 4.007 4.334 . 0 0 "[ . 1 . 2]" 2
827 1 36 TYR QD 1 45 PHE HB2 . . 4.630 4.004 3.899 4.109 . 0 0 "[ . 1 . 2]" 2
828 1 35 PRO HA 1 36 TYR QD . . 5.330 4.966 4.795 5.091 . 0 0 "[ . 1 . 2]" 2
829 1 36 TYR HA 1 36 TYR QD . . 3.500 2.916 2.836 3.037 . 0 0 "[ . 1 . 2]" 2
830 1 35 PRO HG3 1 36 TYR QE . . 4.400 3.626 3.539 3.664 . 0 0 "[ . 1 . 2]" 2
831 1 36 TYR QE 1 51 MET HG2 . . 5.500 4.754 4.586 4.890 . 0 0 "[ . 1 . 2]" 2
832 1 36 TYR QE 1 51 MET ME . . 5.500 4.204 3.970 4.621 . 0 0 "[ . 1 . 2]" 2
833 1 35 PRO HG2 1 36 TYR QE . . 3.720 3.330 3.244 3.419 . 0 0 "[ . 1 . 2]" 2
834 1 37 SER HA 1 44 ARG HA . . 3.320 2.376 2.163 2.496 . 0 0 "[ . 1 . 2]" 2
835 1 37 SER HA 1 45 PHE QD . . 4.340 2.701 2.486 3.459 . 0 0 "[ . 1 . 2]" 2
836 1 39 PRO HD2 1 55 VAL MG2 . . 4.530 2.537 2.279 2.742 . 0 0 "[ . 1 . 2]" 2
837 1 40 VAL H 1 40 VAL MG2 . . 4.030 2.424 2.184 2.685 . 0 0 "[ . 1 . 2]" 2
838 1 40 VAL MG2 1 58 HIS HB3 . . 4.220 3.543 3.035 3.859 . 0 0 "[ . 1 . 2]" 2
839 1 41 CYS HB2 1 42 GLY H . . 3.890 1.959 1.932 1.999 . 0 0 "[ . 1 . 2]" 2
840 1 43 LEU HB3 1 43 LEU MD1 . . 3.590 2.895 2.775 3.057 . 0 0 "[ . 1 . 2]" 2
841 1 43 LEU MD2 1 45 PHE QE . . 4.760 3.665 3.082 4.289 . 0 0 "[ . 1 . 2]" 2
842 1 43 LEU HA 1 44 ARG HA . . 4.890 4.439 4.410 4.460 . 0 0 "[ . 1 . 2]" 2
843 1 43 LEU HB3 1 45 PHE HA . . 5.500 5.483 5.301 5.525 0.025 20 0 "[ . 1 . 2]" 2
844 1 45 PHE H 1 45 PHE HB3 . . 4.070 3.790 3.716 3.829 . 0 0 "[ . 1 . 2]" 2
845 1 48 LYS QE 1 51 MET ME . . 4.610 2.917 2.469 3.446 . 0 0 "[ . 1 . 2]" 2
846 1 49 ASP HA 1 53 TYR H . . 5.110 4.685 4.363 5.115 0.005 7 0 "[ . 1 . 2]" 2
847 1 49 ASP HA 1 51 MET HG3 . . 5.100 4.899 4.520 5.049 . 0 0 "[ . 1 . 2]" 2
848 1 51 MET HA 1 55 VAL H . . 4.900 3.510 3.370 3.841 . 0 0 "[ . 1 . 2]" 2
849 1 45 PHE QD 1 51 MET HB2 . . 4.100 3.771 3.291 4.112 0.012 10 0 "[ . 1 . 2]" 2
850 1 38 CYS HA 1 51 MET HB2 . . 4.930 4.913 4.837 4.933 0.003 20 0 "[ . 1 . 2]" 2
851 1 45 PHE HB3 1 51 MET HB2 . . 5.220 5.103 4.711 5.220 0.000 1 0 "[ . 1 . 2]" 2
852 1 45 PHE HB2 1 51 MET HB2 . . 4.650 3.885 3.672 3.973 . 0 0 "[ . 1 . 2]" 2
853 1 48 LYS HA 1 51 MET HB2 . . 4.850 4.691 4.674 4.714 . 0 0 "[ . 1 . 2]" 2
854 1 48 LYS HA 1 51 MET HB3 . . 4.470 4.122 4.015 4.334 . 0 0 "[ . 1 . 2]" 2
855 1 36 TYR HB3 1 51 MET HB3 . . 4.320 2.993 2.770 3.461 . 0 0 "[ . 1 . 2]" 2
856 1 45 PHE HB3 1 51 MET HB3 . . 4.930 3.385 2.970 3.492 . 0 0 "[ . 1 . 2]" 2
857 1 36 TYR HA 1 51 MET HB3 . . 5.500 4.946 4.719 5.428 . 0 0 "[ . 1 . 2]" 2
858 1 45 PHE QD 1 51 MET HB3 . . 4.290 3.058 2.594 3.351 . 0 0 "[ . 1 . 2]" 2
859 1 48 LYS H 1 51 MET HG2 . . 4.890 4.861 4.759 4.895 0.005 18 0 "[ . 1 . 2]" 2
860 1 51 MET HG3 1 52 SER QB . . 4.760 3.518 3.376 3.773 . 0 0 "[ . 1 . 2]" 2
861 1 52 SER QB 1 55 VAL HB . . 5.440 5.297 5.074 5.353 . 0 0 "[ . 1 . 2]" 2
862 1 53 TYR HA 1 53 TYR QE . . 4.900 4.315 4.204 4.561 . 0 0 "[ . 1 . 2]" 2
863 1 38 CYS HB2 1 55 VAL HA . . 5.490 4.663 4.473 4.816 . 0 0 "[ . 1 . 2]" 2
864 1 55 VAL HA 1 56 ARG HA . . 5.100 4.792 4.753 4.826 . 0 0 "[ . 1 . 2]" 2
865 1 39 PRO HD3 1 55 VAL HA . . 5.500 5.503 5.498 5.511 0.011 10 0 "[ . 1 . 2]" 2
866 1 52 SER HA 1 55 VAL HB . . 3.820 3.431 3.382 3.465 . 0 0 "[ . 1 . 2]" 2
867 1 56 ARG H 1 56 ARG HB3 . . 3.710 3.587 3.584 3.589 . 0 0 "[ . 1 . 2]" 2
868 1 56 ARG HA 1 56 ARG HG3 . . 3.900 3.820 3.789 3.841 . 0 0 "[ . 1 . 2]" 2
869 1 59 ASP QB 1 60 GLY QA . . 5.000 3.915 3.490 4.510 . 0 0 "[ . 1 . 2]" 2
870 1 86 LYS QB 1 90 SER QB . . 4.540 4.161 3.673 4.547 0.007 10 0 "[ . 1 . 2]" 2
871 1 86 LYS QD 1 90 SER QB . . 5.280 4.675 3.843 5.283 0.003 3 0 "[ . 1 . 2]" 2
872 1 62 VAL HA 1 62 VAL MG1 . . 3.560 2.563 2.165 3.203 . 0 0 "[ . 1 . 2]" 2
873 1 62 VAL MG2 1 63 GLY QA . . 5.220 4.430 3.286 5.202 . 0 0 "[ . 1 . 2]" 2
874 1 66 TYR HA 1 67 ILE HG12 . . 5.500 4.422 4.401 4.433 . 0 0 "[ . 1 . 2]" 2
875 1 66 TYR HB2 1 75 PHE H . . 4.920 3.842 3.802 3.919 . 0 0 "[ . 1 . 2]" 2
876 1 66 TYR HB3 1 75 PHE H . . 4.920 4.926 4.922 4.932 0.012 5 0 "[ . 1 . 2]" 2
877 1 66 TYR HA 1 66 TYR QD . . 3.680 2.557 2.475 2.713 . 0 0 "[ . 1 . 2]" 2
878 1 66 TYR QD 1 77 ARG HA . . 4.330 3.831 3.722 3.916 . 0 0 "[ . 1 . 2]" 2
879 1 65 PRO QD 1 66 TYR QD . . 4.530 4.386 4.152 4.522 . 0 0 "[ . 1 . 2]" 2
880 1 66 TYR QD 1 78 PRO HD3 . . 4.530 3.286 3.062 3.449 . 0 0 "[ . 1 . 2]" 2
881 1 65 PRO HG3 1 66 TYR QD . . 4.130 3.992 3.780 4.129 . 0 0 "[ . 1 . 2]" 2
882 1 66 TYR QD 1 78 PRO QB . . 4.420 3.184 2.976 3.387 . 0 0 "[ . 1 . 2]" 2
883 1 66 TYR QE 1 78 PRO QB . . 4.020 3.021 2.757 3.220 . 0 0 "[ . 1 . 2]" 2
884 1 66 TYR QE 1 78 PRO HD3 . . 3.630 2.734 2.630 2.770 . 0 0 "[ . 1 . 2]" 2
885 1 67 ILE HA 1 75 PHE HB2 . . 5.500 4.813 4.673 4.934 . 0 0 "[ . 1 . 2]" 2
886 1 56 ARG HA 1 56 ARG HG2 . . 3.900 2.884 2.636 3.149 . 0 0 "[ . 1 . 2]" 2
887 1 84 HIS HB3 1 85 ILE HG13 . . 4.700 3.392 3.238 3.504 . 0 0 "[ . 1 . 2]" 2
888 1 50 ARG HA 1 53 TYR QD . . 4.400 3.772 2.994 4.393 . 0 0 "[ . 1 . 2]" 2
889 1 47 ARG HA 1 47 ARG QG . . 3.660 3.405 3.377 3.438 . 0 0 "[ . 1 . 2]" 2
890 1 45 PHE HB3 1 51 MET HG2 . . 5.170 4.727 4.228 4.874 . 0 0 "[ . 1 . 2]" 2
891 1 45 PHE HB3 1 51 MET HA . . 4.740 4.551 4.278 4.742 0.002 7 0 "[ . 1 . 2]" 2
892 1 44 ARG HB2 1 44 ARG HD2 . . 3.570 2.905 2.021 3.519 . 0 0 "[ . 1 . 2]" 2
893 1 44 ARG HB2 1 44 ARG HD3 . . 3.570 2.397 1.991 3.494 . 0 0 "[ . 1 . 2]" 2
894 1 43 LEU H 1 43 LEU MD2 . . 4.410 4.334 4.216 4.417 0.007 6 0 "[ . 1 . 2]" 2
895 1 40 VAL HA 1 41 CYS HA . . 5.250 4.704 4.656 4.741 . 0 0 "[ . 1 . 2]" 2
896 1 36 TYR HA 1 37 SER HA . . 4.920 4.405 4.399 4.409 . 0 0 "[ . 1 . 2]" 2
897 1 37 SER HA 1 38 CYS HA . . 5.250 4.329 4.326 4.332 . 0 0 "[ . 1 . 2]" 2
898 1 36 TYR HA 1 48 LYS QE . . 5.420 5.294 4.793 5.430 0.010 10 0 "[ . 1 . 2]" 2
899 1 34 LYS HG2 1 44 ARG HG2 . . 5.500 5.394 5.015 5.558 0.058 10 0 "[ . 1 . 2]" 2
900 1 34 LYS HG3 1 44 ARG HG2 . . 5.500 4.990 4.091 5.559 0.059 10 0 "[ . 1 . 2]" 2
901 1 23 LEU HA 1 27 LYS HG3 . . 4.690 4.147 3.876 4.337 . 0 0 "[ . 1 . 2]" 2
902 1 23 LEU HG 1 27 LYS HE3 . . 4.360 3.248 2.204 4.349 . 0 0 "[ . 1 . 2]" 2
903 1 25 ARG HA 1 25 ARG HG3 . . 4.210 3.539 3.306 3.729 . 0 0 "[ . 1 . 2]" 2
904 1 86 LYS HA 1 86 LYS HG3 . . 4.230 2.487 2.025 3.524 . 0 0 "[ . 1 . 2]" 2
905 1 25 ARG H 1 25 ARG QD . . 4.860 4.116 3.900 4.263 . 0 0 "[ . 1 . 2]" 2
906 1 24 ASN HA 1 27 LYS HG2 . . 5.340 5.099 4.846 5.344 0.004 8 0 "[ . 1 . 2]" 2
907 1 17 PHE QD 1 23 LEU HB2 . . 4.840 3.327 3.084 3.623 . 0 0 "[ . 1 . 2]" 2
908 1 16 ILE HG12 1 17 PHE H . . 5.380 5.012 4.866 5.086 . 0 0 "[ . 1 . 2]" 2
909 1 23 LEU HB2 1 23 LEU MD1 . . 3.530 2.322 2.227 2.366 . 0 0 "[ . 1 . 2]" 2
910 1 9 ALA HA 1 23 LEU MD1 . . 5.050 4.442 4.260 4.771 . 0 0 "[ . 1 . 2]" 2
911 1 22 HIS HA 1 25 ARG H . . 4.530 3.681 3.510 3.791 . 0 0 "[ . 1 . 2]" 2
912 1 17 PHE HB3 1 22 HIS HB2 . . 4.480 3.921 3.212 4.420 . 0 0 "[ . 1 . 2]" 2
913 1 17 PHE HB3 1 23 LEU HB3 . . 4.980 4.658 4.394 4.981 0.001 10 0 "[ . 1 . 2]" 2
914 1 8 VAL H 1 17 PHE HB3 . . 5.040 4.764 4.293 4.982 . 0 0 "[ . 1 . 2]" 2
915 1 16 ILE HA 1 16 ILE HG13 . . 3.780 3.540 2.383 3.778 . 0 0 "[ . 1 . 2]" 2
916 1 15 LYS HG3 1 17 PHE QE . . 5.230 5.034 4.738 5.231 0.001 8 0 "[ . 1 . 2]" 2
917 1 9 ALA MB 1 16 ILE MD . . 3.370 2.122 1.867 3.298 . 0 0 "[ . 1 . 2]" 2
918 1 87 GLN H 1 87 GLN HB2 . . 3.800 2.356 2.066 2.645 . 0 0 "[ . 1 . 2]" 2
919 1 87 GLN HB2 1 88 VAL H . . 4.050 3.264 2.745 3.751 . 0 0 "[ . 1 . 2]" 2
920 1 84 HIS HA 1 87 GLN HB2 . . 4.180 2.592 2.025 3.345 . 0 0 "[ . 1 . 2]" 2
921 1 85 ILE MG 1 86 LYS HA . . 3.770 3.644 3.472 3.724 . 0 0 "[ . 1 . 2]" 2
922 1 83 GLY HA2 1 86 LYS QB . . 3.810 3.045 2.602 3.463 . 0 0 "[ . 1 . 2]" 2
923 1 85 ILE HG12 1 89 HIS HD2 . . 4.000 3.561 3.061 4.005 0.005 11 0 "[ . 1 . 2]" 2
924 1 84 HIS HA 1 87 GLN HB3 . . 3.610 2.671 2.027 3.591 . 0 0 "[ . 1 . 2]" 2
925 1 84 HIS HA 1 88 VAL H . . 4.590 3.328 2.963 4.040 . 0 0 "[ . 1 . 2]" 2
926 1 81 LEU HA 1 85 ILE H . . 4.930 4.263 4.057 4.550 . 0 0 "[ . 1 . 2]" 2
927 1 81 LEU HA 1 84 HIS H . . 4.640 3.297 3.171 3.448 . 0 0 "[ . 1 . 2]" 2
928 1 78 PRO HA 1 81 LEU HB3 . . 3.440 3.276 3.028 3.443 0.003 14 0 "[ . 1 . 2]" 2
929 1 77 ARG HA 1 78 PRO HD3 . . 3.110 2.347 2.344 2.349 . 0 0 "[ . 1 . 2]" 2
930 1 77 ARG HA 1 78 PRO HD2 . . 3.170 2.510 2.502 2.512 . 0 0 "[ . 1 . 2]" 2
931 1 66 TYR QE 1 77 ARG HA . . 4.360 4.314 4.170 4.364 0.004 14 0 "[ . 1 . 2]" 2
932 1 77 ARG HB2 1 78 PRO HD2 . . 3.960 3.630 3.609 3.645 . 0 0 "[ . 1 . 2]" 2
933 1 77 ARG H 1 77 ARG HG2 . . 4.880 4.574 4.513 4.667 . 0 0 "[ . 1 . 2]" 2
934 1 77 ARG HB3 1 77 ARG HD2 . . 4.080 3.761 3.383 4.050 . 0 0 "[ . 1 . 2]" 2
935 1 75 PHE HB3 1 81 LEU H . . 4.340 3.922 3.671 4.252 . 0 0 "[ . 1 . 2]" 2
936 1 67 ILE HA 1 75 PHE QD . . 4.830 3.540 3.290 3.845 . 0 0 "[ . 1 . 2]" 2
937 1 75 PHE HA 1 75 PHE QD . . 3.940 3.071 3.030 3.100 . 0 0 "[ . 1 . 2]" 2
938 1 74 GLY HA2 1 75 PHE QD . . 4.330 3.381 3.254 3.608 . 0 0 "[ . 1 . 2]" 2
939 1 68 CYS HB2 1 75 PHE QE . . 3.640 3.128 2.805 3.433 . 0 0 "[ . 1 . 2]" 2
940 1 73 LYS HB3 1 75 PHE QE . . 4.390 2.916 2.745 3.018 . 0 0 "[ . 1 . 2]" 2
941 1 68 CYS HB2 1 74 GLY H . . 4.030 3.871 3.780 3.922 . 0 0 "[ . 1 . 2]" 2
942 1 68 CYS HB2 1 72 GLY H . . 4.820 3.620 3.617 3.624 . 0 0 "[ . 1 . 2]" 2
943 1 90 SER QB 1 91 GLY H . . 5.360 3.311 2.068 4.033 . 0 0 "[ . 1 . 2]" 2
944 1 10 CYS HA 1 17 PHE QE . . 4.890 4.224 4.017 4.391 . 0 0 "[ . 1 . 2]" 2
945 1 16 ILE HA 1 17 PHE QE . . 5.310 4.440 4.279 4.600 . 0 0 "[ . 1 . 2]" 2
946 1 47 ARG QG 1 50 ARG HA . . 4.270 4.043 3.898 4.194 . 0 0 "[ . 1 . 2]" 2
947 1 38 CYS HB2 1 42 GLY H . . 4.290 3.614 3.517 3.681 . 0 0 "[ . 1 . 2]" 2
948 1 38 CYS HB3 1 43 LEU HB2 . . 4.410 3.777 3.522 4.145 . 0 0 "[ . 1 . 2]" 2
949 1 87 GLN HA 1 89 HIS H . . 5.500 5.487 5.255 5.506 0.006 15 0 "[ . 1 . 2]" 2
950 1 65 PRO QD 1 76 SER HA . . 4.080 2.656 2.352 3.233 . 0 0 "[ . 1 . 2]" 2
951 1 68 CYS HB2 1 73 LYS HB3 . . 4.660 3.670 3.520 3.708 . 0 0 "[ . 1 . 2]" 2
952 1 68 CYS HB2 1 71 CYS H . . 4.890 4.309 4.296 4.321 . 0 0 "[ . 1 . 2]" 2
953 1 68 CYS HB2 1 75 PHE QD . . 5.100 4.152 4.070 4.237 . 0 0 "[ . 1 . 2]" 2
954 1 68 CYS HB3 1 71 CYS H . . 4.190 2.989 2.976 3.010 . 0 0 "[ . 1 . 2]" 2
955 1 66 TYR HB2 1 81 LEU HB3 . . 4.760 4.331 4.142 4.448 . 0 0 "[ . 1 . 2]" 2
956 1 56 ARG H 1 56 ARG QD . . 3.900 3.632 3.195 3.901 0.001 13 0 "[ . 1 . 2]" 2
957 1 85 ILE MG 1 89 HIS HA . . 5.500 5.124 4.986 5.294 . 0 0 "[ . 1 . 2]" 2
958 1 88 VAL HB 1 89 HIS HA . . 5.500 4.315 4.206 4.407 . 0 0 "[ . 1 . 2]" 2
959 1 88 VAL HA 1 88 VAL MG1 . . 3.280 2.320 2.248 2.381 . 0 0 "[ . 1 . 2]" 2
960 1 87 GLN HB3 1 88 VAL HA . . 5.150 4.070 3.738 4.484 . 0 0 "[ . 1 . 2]" 2
961 1 85 ILE HA 1 88 VAL HB . . 5.500 4.471 3.821 5.180 . 0 0 "[ . 1 . 2]" 2
962 1 88 VAL MG1 1 89 HIS H . . 5.040 3.118 2.757 3.401 . 0 0 "[ . 1 . 2]" 2
963 1 86 LYS HA 1 86 LYS HG2 . . 4.230 2.930 2.075 3.596 . 0 0 "[ . 1 . 2]" 2
964 1 86 LYS HA 1 86 LYS QD . . 3.800 3.358 2.321 3.795 . 0 0 "[ . 1 . 2]" 2
965 1 83 GLY HA2 1 86 LYS QD . . 4.980 4.352 3.843 4.918 . 0 0 "[ . 1 . 2]" 2
966 1 81 LEU HG 1 85 ILE HG13 . . 5.260 3.127 2.811 3.489 . 0 0 "[ . 1 . 2]" 2
967 1 81 LEU H 1 84 HIS HB3 . . 5.340 5.271 4.896 5.354 0.014 10 0 "[ . 1 . 2]" 2
968 1 74 GLY HA3 1 75 PHE HA . . 4.540 4.453 4.415 4.518 . 0 0 "[ . 1 . 2]" 2
969 1 64 LYS HA 1 76 SER HA . . 4.030 4.034 4.026 4.043 0.013 5 0 "[ . 1 . 2]" 2
970 1 64 LYS QE 1 76 SER HA . . 4.010 3.183 2.451 3.821 . 0 0 "[ . 1 . 2]" 2
971 1 62 VAL HA 1 63 GLY QA . . 4.330 4.091 3.890 4.326 . 0 0 "[ . 1 . 2]" 2
972 1 45 PHE HB2 1 51 MET HA . . 4.790 4.051 3.915 4.424 . 0 0 "[ . 1 . 2]" 2
973 1 45 PHE HB3 1 51 MET H . . 3.780 3.345 3.113 3.658 . 0 0 "[ . 1 . 2]" 2
974 1 38 CYS HB2 1 54 HIS HD2 . . 3.410 2.086 1.997 2.393 . 0 0 "[ . 1 . 2]" 2
975 1 26 HIS HD2 1 27 LYS QB . . 4.800 4.562 4.102 4.767 . 0 0 "[ . 1 . 2]" 2
976 1 17 PHE QE 1 27 LYS HG3 . . 5.500 5.462 5.184 5.502 0.002 20 0 "[ . 1 . 2]" 2
977 1 25 ARG HA 1 28 LEU H . . 5.370 3.684 3.536 3.863 . 0 0 "[ . 1 . 2]" 2
978 1 10 CYS HA 1 23 LEU MD1 . . 3.150 2.689 2.489 3.096 . 0 0 "[ . 1 . 2]" 2
979 1 20 VAL HB 1 21 TYR HA . . 4.660 4.230 4.092 4.603 . 0 0 "[ . 1 . 2]" 2
980 1 15 LYS HB3 1 17 PHE QE . . 4.040 2.970 2.671 3.201 . 0 0 "[ . 1 . 2]" 2
981 1 10 CYS HB2 1 17 PHE QD . . 4.500 3.580 3.247 3.819 . 0 0 "[ . 1 . 2]" 2
982 1 8 VAL HA 1 9 ALA MB . . 4.060 3.889 3.808 3.967 . 0 0 "[ . 1 . 2]" 2
983 1 43 LEU HB2 1 45 PHE QD . . 4.940 4.772 4.434 4.940 . 0 0 "[ . 1 . 2]" 2
984 1 45 PHE QD 1 47 ARG QG . . 4.830 3.688 3.234 4.135 . 0 0 "[ . 1 . 2]" 2
985 1 45 PHE QD 1 51 MET HA . . 4.360 3.646 3.503 4.090 . 0 0 "[ . 1 . 2]" 2
986 1 36 TYR HB2 1 45 PHE QD . . 4.810 4.031 3.817 4.254 . 0 0 "[ . 1 . 2]" 2
987 1 38 CYS HB2 1 45 PHE QD . . 4.840 4.196 4.045 4.349 . 0 0 "[ . 1 . 2]" 2
988 1 36 TYR HB3 1 45 PHE QD . . 5.450 4.668 4.280 5.043 . 0 0 "[ . 1 . 2]" 2
989 1 45 PHE QD 1 54 HIS HB3 . . 5.500 4.614 4.509 4.826 . 0 0 "[ . 1 . 2]" 2
990 1 45 PHE HA 1 45 PHE QD . . 3.950 2.989 2.729 3.088 . 0 0 "[ . 1 . 2]" 2
991 1 44 ARG HA 1 45 PHE QD . . 4.070 3.407 3.146 3.904 . 0 0 "[ . 1 . 2]" 2
992 1 38 CYS H 1 45 PHE QD . . 4.840 3.664 3.492 4.076 . 0 0 "[ . 1 . 2]" 2
993 1 43 LEU HG 1 45 PHE QE . . 5.410 5.379 5.247 5.425 0.015 10 0 "[ . 1 . 2]" 2
994 1 45 PHE QE 1 54 HIS HB2 . . 5.340 3.720 3.396 4.174 . 0 0 "[ . 1 . 2]" 2
995 1 45 PHE HZ 1 54 HIS HB3 . . 4.320 3.998 3.610 4.324 0.004 10 0 "[ . 1 . 2]" 2
996 1 45 PHE HZ 1 54 HIS HD2 . . 4.970 3.989 3.396 4.633 . 0 0 "[ . 1 . 2]" 2
997 1 15 LYS HG2 1 17 PHE QE . . 5.230 4.894 4.426 5.232 0.002 19 0 "[ . 1 . 2]" 2
998 1 15 LYS HB2 1 17 PHE QE . . 3.750 2.680 2.226 3.026 . 0 0 "[ . 1 . 2]" 2
999 1 15 LYS H 1 17 PHE QE . . 5.050 3.749 3.552 4.268 . 0 0 "[ . 1 . 2]" 2
1000 1 15 LYS HB3 1 17 PHE HZ . . 4.280 3.623 3.267 4.106 . 0 0 "[ . 1 . 2]" 2
1001 1 15 LYS HB2 1 17 PHE HZ . . 3.740 3.516 3.318 3.736 . 0 0 "[ . 1 . 2]" 2
1002 1 17 PHE HZ 1 26 HIS HB2 . . 4.690 3.102 2.889 3.347 . 0 0 "[ . 1 . 2]" 2
1003 1 17 PHE HZ 1 26 HIS HB3 . . 4.690 3.319 2.878 3.575 . 0 0 "[ . 1 . 2]" 2
1004 1 15 LYS H 1 17 PHE HZ . . 5.500 5.402 5.238 5.503 0.003 19 0 "[ . 1 . 2]" 2
1005 1 35 PRO HG3 1 46 LYS HA . . 4.670 2.629 2.430 2.823 . 0 0 "[ . 1 . 2]" 2
1006 1 46 LYS HA 1 46 LYS HG2 . . 4.220 2.652 2.035 3.546 . 0 0 "[ . 1 . 2]" 2
1007 1 46 LYS HA 1 46 LYS HG3 . . 4.220 2.761 2.027 3.434 . 0 0 "[ . 1 . 2]" 2
1008 1 43 LEU MD1 1 45 PHE HZ . . 4.690 3.391 2.993 4.224 . 0 0 "[ . 1 . 2]" 2
1009 1 43 LEU MD2 1 45 PHE HZ . . 4.690 3.534 3.117 4.239 . 0 0 "[ . 1 . 2]" 2
1010 1 28 LEU HB3 1 28 LEU MD1 . . 3.480 2.602 2.456 2.761 . 0 0 "[ . 1 . 2]" 2
1011 1 28 LEU H 1 28 LEU MD1 . . 4.910 3.341 3.106 3.768 . 0 0 "[ . 1 . 2]" 2
1012 1 17 PHE QE 1 23 LEU HA . . 4.510 3.300 3.112 3.521 . 0 0 "[ . 1 . 2]" 2
1013 1 23 LEU HG 1 27 LYS HG2 . . 4.000 3.672 3.284 3.992 . 0 0 "[ . 1 . 2]" 2
1014 1 20 VAL HA 1 23 LEU HG . . 5.450 4.990 4.672 5.258 . 0 0 "[ . 1 . 2]" 2
1015 1 23 LEU HG 1 24 ASN HA . . 4.430 3.749 3.618 3.952 . 0 0 "[ . 1 . 2]" 2
1016 1 23 LEU H 1 23 LEU HG . . 5.030 4.411 4.355 4.505 . 0 0 "[ . 1 . 2]" 2
1017 1 17 PHE QD 1 19 ASP QB . . 5.500 5.453 5.263 5.504 0.004 19 0 "[ . 1 . 2]" 2
1018 1 12 ILE MG 1 30 HIS HE1 . . 3.710 2.799 2.223 3.176 . 0 0 "[ . 1 . 2]" 2
1019 1 12 ILE HB 1 30 HIS HE1 . . 4.790 3.752 3.173 4.248 . 0 0 "[ . 1 . 2]" 2
1020 1 13 CYS HB3 1 30 HIS HE1 . . 3.260 2.266 2.000 2.577 . 0 0 "[ . 1 . 2]" 2
1021 1 13 CYS HB2 1 30 HIS HE1 . . 4.230 3.897 3.515 4.227 . 0 0 "[ . 1 . 2]" 2
1022 1 13 CYS HA 1 30 HIS HE1 . . 4.790 4.253 3.812 4.517 . 0 0 "[ . 1 . 2]" 2
1023 1 43 LEU MD1 1 54 HIS HE1 . . 5.050 3.044 2.856 3.431 . 0 0 "[ . 1 . 2]" 2
1024 1 43 LEU MD2 1 54 HIS HE1 . . 5.050 4.771 3.843 5.050 . 0 0 "[ . 1 . 2]" 2
1025 1 43 LEU HB2 1 54 HIS HE1 . . 5.150 4.344 4.083 4.546 . 0 0 "[ . 1 . 2]" 2
1026 1 43 LEU HB3 1 54 HIS HE1 . . 5.500 5.439 5.171 5.504 0.004 7 0 "[ . 1 . 2]" 2
1027 1 54 HIS HB2 1 54 HIS HE1 . . 5.170 4.781 4.747 4.796 . 0 0 "[ . 1 . 2]" 2
1028 1 77 ARG HB3 1 80 HIS HD2 . . 5.040 2.973 2.824 3.112 . 0 0 "[ . 1 . 2]" 2
1029 1 80 HIS HA 1 80 HIS HD2 . . 3.770 2.989 2.928 3.026 . 0 0 "[ . 1 . 2]" 2
1030 1 77 ARG HA 1 80 HIS HD2 . . 5.500 5.442 5.298 5.504 0.004 10 0 "[ . 1 . 2]" 2
1031 1 84 HIS HE1 1 88 VAL HB . . 4.650 3.752 3.407 4.546 . 0 0 "[ . 1 . 2]" 2
1032 1 75 PHE HZ 1 84 HIS HE1 . . 5.050 3.841 3.518 3.974 . 0 0 "[ . 1 . 2]" 2
1033 1 88 VAL HB 1 89 HIS HE1 . . 5.480 4.667 4.220 5.288 . 0 0 "[ . 1 . 2]" 2
1034 1 70 SER HB3 1 89 HIS HE1 . . 4.630 2.644 2.465 3.976 . 0 0 "[ . 1 . 2]" 2
1035 1 70 SER HB2 1 89 HIS HE1 . . 4.630 3.356 2.528 3.859 . 0 0 "[ . 1 . 2]" 2
1036 1 71 CYS HA 1 89 HIS HE1 . . 4.840 4.423 4.261 4.618 . 0 0 "[ . 1 . 2]" 2
1037 1 28 LEU HB3 1 29 SER HA . . 4.930 4.325 3.971 4.704 . 0 0 "[ . 1 . 2]" 2
1038 1 40 VAL MG1 1 58 HIS HD2 . . 4.470 4.357 4.046 4.469 . 0 0 "[ . 1 . 2]" 2
1039 1 40 VAL HB 1 58 HIS HD2 . . 4.990 3.414 3.172 3.541 . 0 0 "[ . 1 . 2]" 2
1040 1 58 HIS HB2 1 58 HIS HD2 . . 3.740 2.699 2.693 2.710 . 0 0 "[ . 1 . 2]" 2
1041 1 40 VAL H 1 58 HIS HD2 . . 5.330 4.528 4.357 4.658 . 0 0 "[ . 1 . 2]" 2
1042 1 38 CYS H 1 54 HIS HD2 . . 5.470 4.500 4.354 4.793 . 0 0 "[ . 1 . 2]" 2
1043 1 54 HIS HD2 1 55 VAL H . . 4.620 3.638 3.391 3.940 . 0 0 "[ . 1 . 2]" 2
1044 1 45 PHE QD 1 54 HIS HD2 . . 4.940 4.756 4.608 4.943 0.003 7 0 "[ . 1 . 2]" 2
1045 1 45 PHE QE 1 54 HIS HD2 . . 4.640 3.094 2.827 3.620 . 0 0 "[ . 1 . 2]" 2
1046 1 54 HIS HD2 1 58 HIS HD2 . . 4.760 3.848 3.533 4.422 . 0 0 "[ . 1 . 2]" 2
1047 1 39 PRO HD2 1 54 HIS HD2 . . 5.500 4.598 4.495 4.766 . 0 0 "[ . 1 . 2]" 2
1048 1 54 HIS HD2 1 55 VAL HA . . 3.900 3.345 3.116 3.506 . 0 0 "[ . 1 . 2]" 2
1049 1 38 CYS HB3 1 54 HIS HD2 . . 4.660 3.536 3.390 3.822 . 0 0 "[ . 1 . 2]" 2
1050 1 51 MET HB2 1 54 HIS HD2 . . 5.160 4.974 4.691 5.160 . 2 0 "[ . 1 . 2]" 2
1051 1 54 HIS HD2 1 55 VAL MG1 . . 5.230 4.753 4.578 4.917 . 0 0 "[ . 1 . 2]" 2
1052 1 54 HIS HD2 1 55 VAL MG2 . . 5.230 2.697 2.471 2.995 . 0 0 "[ . 1 . 2]" 2
1053 1 38 CYS HA 1 39 PRO HD3 . . 3.660 2.268 2.266 2.270 . 0 0 "[ . 1 . 2]" 2
1054 1 84 HIS HD2 1 89 HIS HD2 . . 4.010 2.444 2.215 2.700 . 0 0 "[ . 1 . 2]" 2
1055 1 84 HIS HD2 1 85 ILE HA . . 4.050 2.780 2.639 3.096 . 0 0 "[ . 1 . 2]" 2
1056 1 84 HIS HD2 1 85 ILE HG13 . . 3.790 3.020 2.687 3.133 . 0 0 "[ . 1 . 2]" 2
1057 1 85 ILE MG 1 89 HIS HD2 . . 4.100 3.483 3.235 3.802 . 0 0 "[ . 1 . 2]" 2
1058 1 88 VAL HB 1 89 HIS HD2 . . 4.680 3.782 3.332 4.296 . 0 0 "[ . 1 . 2]" 2
1059 1 89 HIS HB2 1 89 HIS HD2 . . 3.700 2.696 2.689 2.713 . 0 0 "[ . 1 . 2]" 2
1060 1 12 ILE HB 1 30 HIS HD2 . . 4.280 3.096 2.541 3.818 . 0 0 "[ . 1 . 2]" 2
1061 1 27 LYS HG2 1 30 HIS HD2 . . 4.200 3.575 2.989 4.199 . 0 0 "[ . 1 . 2]" 2
1062 1 27 LYS HG3 1 30 HIS HD2 . . 5.240 4.220 3.770 4.883 . 0 0 "[ . 1 . 2]" 2
1063 1 23 LEU MD1 1 26 HIS HD2 . . 3.520 2.775 2.321 3.189 . 0 0 "[ . 1 . 2]" 2
1064 1 26 HIS HD2 1 27 LYS HG2 . . 4.590 3.676 2.639 4.171 . 0 0 "[ . 1 . 2]" 2
1065 1 26 HIS HD2 1 27 LYS HG3 . . 4.010 3.168 2.713 3.552 . 0 0 "[ . 1 . 2]" 2
1066 1 26 HIS HD2 1 27 LYS H . . 4.670 3.411 3.037 3.618 . 0 0 "[ . 1 . 2]" 2
1067 1 67 ILE MG 1 72 GLY HA2 . . 4.640 4.078 4.062 4.113 . 0 0 "[ . 1 . 2]" 2
1068 1 9 ALA MB 1 14 GLY HA3 . . 5.360 5.006 4.721 5.164 . 0 0 "[ . 1 . 2]" 2
1069 1 13 CYS HA 1 14 GLY HA3 . . 4.790 4.520 4.513 4.527 . 0 0 "[ . 1 . 2]" 2
1070 1 46 LYS HB2 1 46 LYS QD . . 3.780 2.721 1.995 3.383 . 0 0 "[ . 1 . 2]" 2
1071 1 46 LYS HB2 1 47 ARG H . . 4.650 4.294 4.081 4.423 . 0 0 "[ . 1 . 2]" 2
1072 1 46 LYS HB3 1 46 LYS QD . . 3.780 2.546 1.996 3.266 . 0 0 "[ . 1 . 2]" 2
1073 1 46 LYS HB3 1 47 ARG H . . 4.650 4.080 4.034 4.304 . 0 0 "[ . 1 . 2]" 2
1074 1 69 GLN HA 1 72 GLY H . . 5.070 4.519 4.504 4.525 . 0 0 "[ . 1 . 2]" 2
1075 1 51 MET ME 1 55 VAL MG2 . . 4.550 2.674 2.286 2.874 . 0 0 "[ . 1 . 2]" 2
1076 1 51 MET ME 1 55 VAL MG1 . . 4.550 4.145 3.833 4.379 . 0 0 "[ . 1 . 2]" 2
1077 1 48 LYS HA 1 51 MET ME . . 4.220 4.025 3.780 4.174 . 0 0 "[ . 1 . 2]" 2
1078 1 36 TYR HB3 1 51 MET ME . . 3.460 1.967 1.897 2.061 . 0 0 "[ . 1 . 2]" 2
1079 1 51 MET ME 1 52 SER HA . . 4.460 4.232 4.007 4.338 . 0 0 "[ . 1 . 2]" 2
1080 1 39 PRO HD3 1 51 MET ME . . 4.700 4.502 4.234 4.632 . 0 0 "[ . 1 . 2]" 2
1081 1 36 TYR HA 1 51 MET ME . . 3.710 3.203 3.074 3.456 . 0 0 "[ . 1 . 2]" 2
1082 1 36 TYR QD 1 51 MET ME . . 3.580 2.342 2.096 2.804 . 0 0 "[ . 1 . 2]" 2
1083 1 45 PHE QD 1 51 MET ME . . 5.010 4.581 4.002 5.005 . 0 0 "[ . 1 . 2]" 2
1084 1 51 MET H 1 51 MET ME . . 5.500 4.695 4.626 4.761 . 0 0 "[ . 1 . 2]" 2
1085 1 37 SER H 1 51 MET ME . . 4.530 3.938 3.792 4.164 . 0 0 "[ . 1 . 2]" 2
1086 1 35 PRO QD 1 46 LYS QD . . 5.170 3.710 2.503 4.674 . 0 0 "[ . 1 . 2]" 2
1087 1 46 LYS HA 1 46 LYS QD . . 4.390 3.277 2.835 3.859 . 0 0 "[ . 1 . 2]" 2
1088 1 50 ARG H 1 50 ARG HG2 . . 4.490 3.278 2.429 4.501 0.011 7 0 "[ . 1 . 2]" 2
1089 1 50 ARG H 1 50 ARG HG3 . . 4.490 4.022 3.655 4.393 . 0 0 "[ . 1 . 2]" 2
1090 1 15 LYS HD3 1 26 HIS HE1 . . 5.500 3.802 2.566 5.111 . 0 0 "[ . 1 . 2]" 2
1091 1 17 PHE HZ 1 26 HIS HE1 . . 4.320 3.794 3.326 4.120 . 0 0 "[ . 1 . 2]" 2
1092 1 22 HIS HE1 1 25 ARG QD . . 4.660 4.306 3.346 4.660 0.000 4 0 "[ . 1 . 2]" 2
1093 1 77 ARG HB3 1 80 HIS HE1 . . 5.500 5.463 5.389 5.503 0.003 10 0 "[ . 1 . 2]" 2
1094 1 40 VAL MG2 1 58 HIS HB2 . . 4.470 3.464 3.148 3.706 . 0 0 "[ . 1 . 2]" 2
1095 1 40 VAL MG1 1 58 HIS HB2 . . 4.470 4.433 4.232 4.474 0.004 14 0 "[ . 1 . 2]" 2
1096 1 40 VAL HB 1 58 HIS HB3 . . 5.500 4.523 4.272 4.739 . 0 0 "[ . 1 . 2]" 2
1097 1 81 LEU HB2 1 84 HIS HB3 . . 5.500 4.834 4.621 5.037 . 0 0 "[ . 1 . 2]" 2
1098 1 58 HIS H 1 58 HIS HB3 . . 3.890 3.637 3.613 3.654 . 0 0 "[ . 1 . 2]" 2
1099 1 45 PHE HZ 1 54 HIS HB2 . . 4.470 3.534 3.165 4.049 . 0 0 "[ . 1 . 2]" 2
1100 1 16 ILE MD 1 17 PHE H . . 4.880 3.760 3.388 4.911 0.031 16 0 "[ . 1 . 2]" 2
1101 1 16 ILE H 1 16 ILE MD . . 4.940 3.126 1.898 3.476 . 0 0 "[ . 1 . 2]" 2
1102 1 16 ILE HA 1 16 ILE MD . . 3.940 2.270 1.968 3.448 . 0 0 "[ . 1 . 2]" 2
1103 1 7 GLY QA 1 16 ILE MD . . 5.500 4.765 4.299 5.502 0.002 8 0 "[ . 1 . 2]" 2
1104 1 67 ILE HB 1 67 ILE MD . . 3.710 3.179 3.179 3.180 . 0 0 "[ . 1 . 2]" 2
1105 1 67 ILE MD 1 74 GLY HA3 . . 4.930 4.950 4.942 4.957 0.027 5 0 "[ . 1 . 2]" 2
1106 1 66 TYR HA 1 67 ILE MD . . 3.810 2.809 2.787 2.864 . 0 0 "[ . 1 . 2]" 2
1107 1 67 ILE HA 1 67 ILE MD . . 4.350 3.513 3.510 3.515 . 0 0 "[ . 1 . 2]" 2
1108 1 15 LYS H 1 16 ILE MD . . 5.270 4.828 4.645 5.029 . 0 0 "[ . 1 . 2]" 2
1109 1 67 ILE H 1 67 ILE MD . . 4.510 2.118 2.073 2.162 . 0 0 "[ . 1 . 2]" 2
1110 1 67 ILE MD 1 68 CYS H . . 5.030 4.889 4.883 4.901 . 0 0 "[ . 1 . 2]" 2
1111 1 67 ILE MD 1 75 PHE H . . 5.500 5.168 5.039 5.302 . 0 0 "[ . 1 . 2]" 2
1112 1 22 HIS HA 1 25 ARG QD . . 5.100 4.200 3.566 4.800 . 0 0 "[ . 1 . 2]" 2
1113 1 23 LEU MD1 1 26 HIS HA . . 5.500 5.426 5.123 5.502 0.002 19 0 "[ . 1 . 2]" 2
1114 1 65 PRO HG2 1 66 TYR QE . . 4.990 3.889 3.607 4.080 . 0 0 "[ . 1 . 2]" 2
1115 1 91 GLY HA2 1 92 PRO QD . . 3.580 2.428 2.038 3.459 . 0 0 "[ . 1 . 2]" 2
1116 1 33 GLU QB 1 34 LYS QE . . 5.290 4.527 3.273 5.329 0.039 14 0 "[ . 1 . 2]" 2
1117 1 7 GLY QA 1 8 VAL QG . . 3.990 3.364 3.080 3.596 . 0 0 "[ . 1 . 2]" 2
1118 1 8 VAL H 1 8 VAL QG . . 3.200 1.985 1.863 2.488 . 0 0 "[ . 1 . 2]" 2
1119 1 8 VAL QG 1 9 ALA H . . 3.650 2.766 2.140 3.545 . 0 0 "[ . 1 . 2]" 2
1120 1 8 VAL QG 1 17 PHE H . . 4.300 2.885 2.437 3.985 . 0 0 "[ . 1 . 2]" 2
1121 1 8 VAL QG 1 17 PHE HB2 . . 3.870 2.152 1.907 3.294 . 0 0 "[ . 1 . 2]" 2
1122 1 8 VAL QG 1 17 PHE HB3 . . 4.330 3.382 3.098 4.252 . 0 0 "[ . 1 . 2]" 2
1123 1 8 VAL QG 1 19 ASP H . . 4.510 4.128 3.835 4.450 . 0 0 "[ . 1 . 2]" 2
1124 1 8 VAL QG 1 19 ASP HA . . 4.300 4.023 3.751 4.301 0.001 19 0 "[ . 1 . 2]" 2
1125 1 8 VAL QG 1 20 VAL HA . . 3.580 2.506 2.060 2.719 . 0 0 "[ . 1 . 2]" 2
1126 1 8 VAL QG 1 23 LEU H . . 4.610 4.142 3.786 4.604 . 0 0 "[ . 1 . 2]" 2
1127 1 8 VAL QG 1 23 LEU HB2 . . 3.880 2.639 2.317 3.412 . 0 0 "[ . 1 . 2]" 2
1128 1 8 VAL QG 1 23 LEU HB3 . . 4.200 3.080 2.801 3.587 . 0 0 "[ . 1 . 2]" 2
1129 1 8 VAL QG 1 23 LEU HG . . 4.440 3.941 3.662 4.353 . 0 0 "[ . 1 . 2]" 2
1130 1 8 VAL QG 1 23 LEU MD2 . . 3.470 1.831 1.630 2.254 . 0 0 "[ . 1 . 2]" 2
1131 1 9 ALA HA 1 16 ILE QG . . 4.230 3.880 2.343 4.197 . 0 0 "[ . 1 . 2]" 2
1132 1 9 ALA MB 1 16 ILE QG . . 4.500 3.495 2.283 3.855 . 0 0 "[ . 1 . 2]" 2
1133 1 10 CYS H 1 16 ILE QG . . 5.340 4.925 3.841 5.254 . 0 0 "[ . 1 . 2]" 2
1134 1 11 GLU HA 1 11 GLU QG . . 3.640 3.336 3.328 3.351 . 0 0 "[ . 1 . 2]" 2
1135 1 11 GLU QB 1 12 ILE H . . 4.350 4.031 4.021 4.039 . 0 0 "[ . 1 . 2]" 2
1136 1 11 GLU QG 1 12 ILE H . . 4.550 3.584 3.478 3.709 . 0 0 "[ . 1 . 2]" 2
1137 1 11 GLU QG 1 12 ILE HG13 . . 4.040 2.567 2.316 2.840 . 0 0 "[ . 1 . 2]" 2
1138 1 11 GLU QG 1 12 ILE MD . . 4.360 2.364 2.098 2.970 . 0 0 "[ . 1 . 2]" 2
1139 1 12 ILE MG 1 30 HIS QB . . 3.970 2.995 2.382 3.970 . 0 0 "[ . 1 . 2]" 2
1140 1 12 ILE MD 1 27 LYS QE . . 3.850 3.501 2.904 3.852 0.002 10 0 "[ . 1 . 2]" 2
1141 1 13 CYS HB2 1 15 LYS QG . . 4.460 3.761 2.985 4.460 0.000 16 0 "[ . 1 . 2]" 2
1142 1 13 CYS HB2 1 15 LYS QD . . 4.190 3.058 2.390 3.727 . 0 0 "[ . 1 . 2]" 2
1143 1 13 CYS HB3 1 15 LYS QD . . 4.560 4.010 3.607 4.354 . 0 0 "[ . 1 . 2]" 2
1144 1 15 LYS H 1 15 LYS QG . . 3.820 3.304 2.711 3.820 . 14 0 "[ . 1 . 2]" 2
1145 1 15 LYS H 1 15 LYS QD . . 4.180 3.373 2.451 4.139 . 0 0 "[ . 1 . 2]" 2
1146 1 15 LYS HA 1 15 LYS QG . . 3.210 2.352 2.235 2.430 . 0 0 "[ . 1 . 2]" 2
1147 1 15 LYS HA 1 15 LYS QD . . 4.580 3.581 2.830 4.085 . 0 0 "[ . 1 . 2]" 2
1148 1 15 LYS HA 1 16 ILE QG . . 4.500 3.659 3.454 4.267 . 0 0 "[ . 1 . 2]" 2
1149 1 15 LYS QG 1 16 ILE H . . 4.100 3.643 3.366 3.906 . 0 0 "[ . 1 . 2]" 2
1150 1 15 LYS QG 1 17 PHE HZ . . 5.340 4.681 4.074 5.198 . 0 0 "[ . 1 . 2]" 2
1151 1 15 LYS QG 1 26 HIS HE1 . . 5.210 4.574 3.672 5.210 0.000 19 0 "[ . 1 . 2]" 2
1152 1 15 LYS QD 1 17 PHE QE . . 5.210 4.232 3.556 5.000 . 0 0 "[ . 1 . 2]" 2
1153 1 15 LYS QD 1 26 HIS HE1 . . 4.660 3.474 2.472 4.661 0.001 10 0 "[ . 1 . 2]" 2
1154 1 16 ILE H 1 16 ILE QG . . 3.090 2.417 2.168 2.999 . 0 0 "[ . 1 . 2]" 2
1155 1 17 PHE HA 1 18 ARG QB . . 4.860 4.403 4.290 4.670 . 0 0 "[ . 1 . 2]" 2
1156 1 17 PHE HB2 1 22 HIS QB . . 5.220 4.403 4.002 4.840 . 0 0 "[ . 1 . 2]" 2
1157 1 17 PHE QD 1 22 HIS QB . . 3.680 2.204 1.981 2.796 . 0 0 "[ . 1 . 2]" 2
1158 1 17 PHE QE 1 26 HIS QB . . 4.720 2.512 2.368 2.592 . 0 0 "[ . 1 . 2]" 2
1159 1 17 PHE HZ 1 26 HIS QB . . 4.100 2.845 2.590 3.031 . 0 0 "[ . 1 . 2]" 2
1160 1 18 ARG HA 1 18 ARG QG . . 3.740 3.304 2.542 3.397 . 0 0 "[ . 1 . 2]" 2
1161 1 18 ARG QB 1 18 ARG QG . . 2.290 2.064 2.021 2.086 . 0 0 "[ . 1 . 2]" 2
1162 1 18 ARG QB 1 18 ARG QD . . 3.420 2.091 1.960 2.328 . 0 0 "[ . 1 . 2]" 2
1163 1 18 ARG QB 1 19 ASP H . . 4.090 3.480 2.516 3.590 . 0 0 "[ . 1 . 2]" 2
1164 1 18 ARG QG 1 19 ASP H . . 3.710 2.267 1.994 3.719 0.009 19 0 "[ . 1 . 2]" 2
1165 1 18 ARG QG 1 19 ASP QB . . 4.880 2.724 2.253 4.864 . 0 0 "[ . 1 . 2]" 2
1166 1 19 ASP H 1 20 VAL QG . . 5.240 5.003 4.884 5.112 . 0 0 "[ . 1 . 2]" 2
1167 1 19 ASP H 1 22 HIS QB . . 3.850 3.424 3.121 3.721 . 0 0 "[ . 1 . 2]" 2
1168 1 19 ASP QB 1 20 VAL QG . . 4.580 3.990 2.994 4.403 . 0 0 "[ . 1 . 2]" 2
1169 1 19 ASP QB 1 22 HIS QB . . 4.600 3.056 2.695 3.554 . 0 0 "[ . 1 . 2]" 2
1170 1 20 VAL QG 1 21 TYR H . . 3.770 3.160 1.929 3.434 . 0 0 "[ . 1 . 2]" 2
1171 1 20 VAL QG 1 21 TYR HA . . 5.350 3.593 3.046 3.826 . 0 0 "[ . 1 . 2]" 2
1172 1 20 VAL QG 1 21 TYR QD . . 4.100 3.502 2.039 3.991 . 0 0 "[ . 1 . 2]" 2
1173 1 20 VAL QG 1 21 TYR QE . . 5.310 4.337 2.674 5.022 . 0 0 "[ . 1 . 2]" 2
1174 1 20 VAL QG 1 23 LEU H . . 4.900 4.021 3.807 4.433 . 0 0 "[ . 1 . 2]" 2
1175 1 20 VAL QG 1 24 ASN H . . 4.940 3.973 3.577 4.686 . 0 0 "[ . 1 . 2]" 2
1176 1 21 TYR HA 1 24 ASN QB . . 3.540 2.952 2.327 3.444 . 0 0 "[ . 1 . 2]" 2
1177 1 21 TYR QB 1 22 HIS H . . 3.360 2.716 2.363 2.943 . 0 0 "[ . 1 . 2]" 2
1178 1 21 TYR QB 1 22 HIS HA . . 5.200 3.876 3.738 3.961 . 0 0 "[ . 1 . 2]" 2
1179 1 21 TYR QD 1 24 ASN QB . . 5.340 4.721 4.012 5.253 . 0 0 "[ . 1 . 2]" 2
1180 1 22 HIS H 1 22 HIS QB . . 3.330 2.129 2.049 2.263 . 0 0 "[ . 1 . 2]" 2
1181 1 22 HIS HA 1 25 ARG QB . . 4.110 3.867 3.491 4.111 0.001 20 0 "[ . 1 . 2]" 2
1182 1 22 HIS QB 1 23 LEU H . . 3.860 2.839 2.597 2.987 . 0 0 "[ . 1 . 2]" 2
1183 1 22 HIS QB 1 25 ARG H . . 5.340 5.227 4.910 5.347 0.007 8 0 "[ . 1 . 2]" 2
1184 1 22 HIS QB 1 25 ARG QG . . 5.180 4.541 3.966 5.180 0.000 5 0 "[ . 1 . 2]" 2
1185 1 23 LEU H 1 24 ASN QB . . 4.880 4.251 3.997 4.501 . 0 0 "[ . 1 . 2]" 2
1186 1 23 LEU HA 1 26 HIS QB . . 3.150 2.414 2.237 2.562 . 0 0 "[ . 1 . 2]" 2
1187 1 23 LEU HG 1 27 LYS QE . . 3.680 2.681 2.188 3.585 . 0 0 "[ . 1 . 2]" 2
1188 1 23 LEU MD1 1 26 HIS QB . . 4.220 2.755 2.504 2.823 . 0 0 "[ . 1 . 2]" 2
1189 1 23 LEU MD1 1 27 LYS QE . . 4.500 3.055 1.957 3.973 . 0 0 "[ . 1 . 2]" 2
1190 1 23 LEU MD2 1 27 LYS QE . . 3.420 2.294 1.829 3.293 . 0 0 "[ . 1 . 2]" 2
1191 1 24 ASN H 1 24 ASN QB . . 3.230 2.166 2.052 2.252 . 0 0 "[ . 1 . 2]" 2
1192 1 24 ASN H 1 25 ARG QG . . 5.130 4.207 4.023 4.429 . 0 0 "[ . 1 . 2]" 2
1193 1 24 ASN HA 1 27 LYS QE . . 4.600 4.158 2.327 4.603 0.003 8 0 "[ . 1 . 2]" 2
1194 1 24 ASN HA 1 28 LEU QD . . 5.440 4.166 3.565 4.914 . 0 0 "[ . 1 . 2]" 2
1195 1 24 ASN QB 1 25 ARG H . . 3.630 2.397 2.188 2.756 . 0 0 "[ . 1 . 2]" 2
1196 1 24 ASN QD 1 28 LEU QD . . 4.030 2.959 2.258 4.025 . 0 0 "[ . 1 . 2]" 2
1197 1 25 ARG H 1 25 ARG QB . . 3.120 2.481 2.357 2.622 . 0 0 "[ . 1 . 2]" 2
1198 1 25 ARG H 1 25 ARG QG . . 3.630 2.275 1.981 2.472 . 0 0 "[ . 1 . 2]" 2
1199 1 25 ARG HA 1 28 LEU QD . . 3.470 2.059 1.935 2.314 . 0 0 "[ . 1 . 2]" 2
1200 1 25 ARG QB 1 26 HIS H . . 3.780 3.182 2.425 3.602 . 0 0 "[ . 1 . 2]" 2
1201 1 25 ARG QB 1 26 HIS HA . . 5.340 4.218 3.826 4.547 . 0 0 "[ . 1 . 2]" 2
1202 1 25 ARG QB 1 28 LEU QD . . 4.400 3.517 3.088 3.846 . 0 0 "[ . 1 . 2]" 2
1203 1 25 ARG QG 1 26 HIS H . . 5.340 3.040 2.111 4.036 . 0 0 "[ . 1 . 2]" 2
1204 1 25 ARG QG 1 28 LEU QD . . 4.850 4.012 3.089 4.850 . 0 0 "[ . 1 . 2]" 2
1205 1 25 ARG QD 1 28 LEU QD . . 4.970 4.622 3.883 4.938 . 0 0 "[ . 1 . 2]" 2
1206 1 26 HIS H 1 26 HIS QB . . 2.920 2.243 2.231 2.256 . 0 0 "[ . 1 . 2]" 2
1207 1 26 HIS H 1 28 LEU QD . . 4.800 4.576 4.364 4.781 . 0 0 "[ . 1 . 2]" 2
1208 1 26 HIS HA 1 28 LEU QD . . 5.440 5.323 5.110 5.439 . 0 0 "[ . 1 . 2]" 2
1209 1 26 HIS QB 1 26 HIS HD2 . . 3.420 2.702 2.650 2.773 . 0 0 "[ . 1 . 2]" 2
1210 1 26 HIS QB 1 27 LYS H . . 3.280 2.406 2.249 2.597 . 0 0 "[ . 1 . 2]" 2
1211 1 27 LYS HA 1 30 HIS QB . . 4.170 2.745 2.176 3.839 . 0 0 "[ . 1 . 2]" 2
1212 1 27 LYS QB 1 27 LYS QE . . 3.980 3.225 1.972 3.652 . 0 0 "[ . 1 . 2]" 2
1213 1 27 LYS QB 1 28 LEU QD . . 5.440 3.969 3.483 4.813 . 0 0 "[ . 1 . 2]" 2
1214 1 27 LYS QB 1 30 HIS QB . . 5.210 3.993 3.499 4.928 . 0 0 "[ . 1 . 2]" 2
1215 1 27 LYS QE 1 27 LYS HG2 . . 3.570 2.441 2.033 3.320 . 0 0 "[ . 1 . 2]" 2
1216 1 27 LYS QE 1 27 LYS HG3 . . 3.570 2.796 2.321 3.387 . 0 0 "[ . 1 . 2]" 2
1217 1 28 LEU H 1 28 LEU QD . . 3.980 3.153 2.984 3.530 . 0 0 "[ . 1 . 2]" 2
1218 1 28 LEU HA 1 28 LEU QD . . 3.040 2.381 2.070 2.661 . 0 0 "[ . 1 . 2]" 2
1219 1 29 SER H 1 29 SER QB . . 3.360 2.296 2.073 2.689 . 0 0 "[ . 1 . 2]" 2
1220 1 29 SER QB 1 30 HIS H . . 4.050 2.877 2.603 3.126 . 0 0 "[ . 1 . 2]" 2
1221 1 30 HIS H 1 30 HIS QB . . 3.250 2.193 2.051 2.857 . 0 0 "[ . 1 . 2]" 2
1222 1 30 HIS QB 1 30 HIS HD2 . . 3.430 2.634 2.624 2.717 . 0 0 "[ . 1 . 2]" 2
1223 1 33 GLU HA 1 33 GLU QG . . 3.590 2.389 2.002 3.336 . 0 0 "[ . 1 . 2]" 2
1224 1 33 GLU HA 1 34 LYS QB . . 5.120 4.784 4.463 4.869 . 0 0 "[ . 1 . 2]" 2
1225 1 33 GLU HA 1 34 LYS QG . . 5.140 3.911 3.243 4.752 . 0 0 "[ . 1 . 2]" 2
1226 1 33 GLU QB 1 34 LYS QB . . 4.800 4.311 3.882 4.808 0.008 10 0 "[ . 1 . 2]" 2
1227 1 34 LYS HA 1 34 LYS QG . . 3.480 3.009 2.172 3.284 . 0 0 "[ . 1 . 2]" 2
1228 1 34 LYS QB 1 35 PRO QD . . 4.590 3.676 3.593 3.712 . 0 0 "[ . 1 . 2]" 2
1229 1 34 LYS QE 1 34 LYS QG . . 3.250 2.068 1.943 2.489 . 0 0 "[ . 1 . 2]" 2
1230 1 35 PRO QB 1 36 TYR QD . . 4.710 3.035 2.714 3.213 . 0 0 "[ . 1 . 2]" 2
1231 1 35 PRO QB 1 46 LYS HA . . 4.780 4.116 3.938 4.236 . 0 0 "[ . 1 . 2]" 2
1232 1 35 PRO QB 1 46 LYS QG . . 4.300 4.268 3.980 4.320 0.020 10 0 "[ . 1 . 2]" 2
1233 1 35 PRO QB 1 46 LYS QD . . 5.340 5.094 4.724 5.344 0.004 1 0 "[ . 1 . 2]" 2
1234 1 35 PRO QD 1 46 LYS QB . . 4.880 4.033 3.696 4.294 . 0 0 "[ . 1 . 2]" 2
1235 1 36 TYR QD 1 48 LYS QB . . 5.200 4.518 4.113 5.000 . 0 0 "[ . 1 . 2]" 2
1236 1 36 TYR QD 1 48 LYS QG . . 4.760 3.526 2.899 4.655 . 0 0 "[ . 1 . 2]" 2
1237 1 36 TYR QE 1 48 LYS QB . . 5.130 3.924 3.406 4.603 . 0 0 "[ . 1 . 2]" 2
1238 1 36 TYR QE 1 48 LYS QG . . 4.200 3.402 2.539 4.253 0.053 10 0 "[ . 1 . 2]" 2
1239 1 37 SER H 1 37 SER QB . . 3.450 2.613 2.316 3.078 . 0 0 "[ . 1 . 2]" 2
1240 1 37 SER QB 1 44 ARG HA . . 4.360 2.460 2.203 3.242 . 0 0 "[ . 1 . 2]" 2
1241 1 37 SER QB 1 44 ARG HG2 . . 4.210 3.146 2.712 3.612 . 0 0 "[ . 1 . 2]" 2
1242 1 38 CYS HA 1 55 VAL QG . . 4.030 2.707 2.450 2.927 . 0 0 "[ . 1 . 2]" 2
1243 1 38 CYS HB2 1 55 VAL QG . . 4.350 3.379 3.197 3.643 . 0 0 "[ . 1 . 2]" 2
1244 1 38 CYS HB3 1 40 VAL QG . . 5.050 4.708 4.549 4.867 . 0 0 "[ . 1 . 2]" 2
1245 1 38 CYS HB3 1 55 VAL QG . . 4.740 4.418 4.156 4.670 . 0 0 "[ . 1 . 2]" 2
1246 1 39 PRO HA 1 40 VAL QG . . 5.170 4.590 4.445 4.698 . 0 0 "[ . 1 . 2]" 2
1247 1 39 PRO HB2 1 40 VAL QG . . 4.060 3.462 3.365 3.536 . 0 0 "[ . 1 . 2]" 2
1248 1 39 PRO HB3 1 40 VAL QG . . 5.150 4.629 4.547 4.704 . 0 0 "[ . 1 . 2]" 2
1249 1 39 PRO HG2 1 40 VAL QG . . 3.460 2.485 2.345 2.671 . 0 0 "[ . 1 . 2]" 2
1250 1 39 PRO HG2 1 55 VAL QG . . 4.070 3.338 2.935 3.495 . 0 0 "[ . 1 . 2]" 2
1251 1 39 PRO HG3 1 40 VAL QG . . 4.520 3.982 3.891 4.114 . 0 0 "[ . 1 . 2]" 2
1252 1 39 PRO HG3 1 55 VAL QG . . 4.600 3.239 2.904 3.422 . 0 0 "[ . 1 . 2]" 2
1253 1 39 PRO HD2 1 40 VAL QG . . 4.990 3.501 3.315 3.626 . 0 0 "[ . 1 . 2]" 2
1254 1 39 PRO HD2 1 55 VAL QG . . 3.670 2.412 2.092 2.610 . 0 0 "[ . 1 . 2]" 2
1255 1 39 PRO HD3 1 40 VAL QG . . 5.440 4.684 4.533 4.777 . 0 0 "[ . 1 . 2]" 2
1256 1 39 PRO HD3 1 55 VAL QG . . 3.210 2.880 2.701 3.008 . 0 0 "[ . 1 . 2]" 2
1257 1 40 VAL H 1 40 VAL QG . . 3.160 2.397 2.171 2.633 . 0 0 "[ . 1 . 2]" 2
1258 1 40 VAL HA 1 40 VAL QG . . 2.800 2.078 2.039 2.131 . 0 0 "[ . 1 . 2]" 2
1259 1 40 VAL HB 1 41 CYS QB . . 5.340 4.295 4.234 4.370 . 0 0 "[ . 1 . 2]" 2
1260 1 40 VAL QG 1 41 CYS H . . 3.500 2.852 2.650 3.031 . 0 0 "[ . 1 . 2]" 2
1261 1 40 VAL QG 1 41 CYS HA . . 4.120 3.324 3.161 3.507 . 0 0 "[ . 1 . 2]" 2
1262 1 40 VAL QG 1 41 CYS QB . . 4.240 4.160 4.067 4.239 . 0 0 "[ . 1 . 2]" 2
1263 1 40 VAL QG 1 42 GLY H . . 5.440 4.890 4.791 4.984 . 0 0 "[ . 1 . 2]" 2
1264 1 40 VAL QG 1 55 VAL HA . . 5.440 4.428 4.139 4.603 . 0 0 "[ . 1 . 2]" 2
1265 1 40 VAL QG 1 55 VAL QG . . 3.870 3.560 3.256 3.758 . 0 0 "[ . 1 . 2]" 2
1266 1 40 VAL QG 1 58 HIS HB3 . . 3.630 3.205 2.793 3.414 . 0 0 "[ . 1 . 2]" 2
1267 1 40 VAL QG 1 58 HIS HD2 . . 3.750 3.262 2.755 3.515 . 0 0 "[ . 1 . 2]" 2
1268 1 40 VAL QG 1 58 HIS HE1 . . 5.440 5.035 4.414 5.414 . 0 0 "[ . 1 . 2]" 2
1269 1 41 CYS H 1 41 CYS QB . . 3.670 2.579 2.543 2.591 . 0 0 "[ . 1 . 2]" 2
1270 1 41 CYS HA 1 42 GLY QA . . 4.640 4.254 4.249 4.266 . 0 0 "[ . 1 . 2]" 2
1271 1 41 CYS QB 1 42 GLY H . . 3.350 1.943 1.917 1.980 . 0 0 "[ . 1 . 2]" 2
1272 1 41 CYS QB 1 43 LEU H . . 3.710 2.424 2.379 2.557 . 0 0 "[ . 1 . 2]" 2
1273 1 41 CYS QB 1 43 LEU HB2 . . 4.960 3.128 3.057 3.259 . 0 0 "[ . 1 . 2]" 2
1274 1 41 CYS QB 1 43 LEU HB3 . . 5.060 4.695 4.618 4.775 . 0 0 "[ . 1 . 2]" 2
1275 1 41 CYS QB 1 43 LEU HG . . 4.980 4.364 3.972 4.619 . 0 0 "[ . 1 . 2]" 2
1276 1 43 LEU HA 1 43 LEU QD . . 3.110 2.863 2.741 2.963 . 0 0 "[ . 1 . 2]" 2
1277 1 43 LEU HB3 1 44 ARG QD . . 5.340 5.106 4.811 5.403 0.063 20 0 "[ . 1 . 2]" 2
1278 1 43 LEU QD 1 44 ARG H . . 3.420 2.633 2.382 3.170 . 0 0 "[ . 1 . 2]" 2
1279 1 43 LEU QD 1 45 PHE QE . . 3.870 3.342 2.956 3.562 . 0 0 "[ . 1 . 2]" 2
1280 1 43 LEU QD 1 45 PHE HZ . . 3.640 3.047 2.825 3.487 . 0 0 "[ . 1 . 2]" 2
1281 1 43 LEU QD 1 54 HIS HE1 . . 3.750 3.007 2.841 3.377 . 0 0 "[ . 1 . 2]" 2
1282 1 44 ARG HB2 1 44 ARG QD . . 2.860 2.094 1.976 2.365 . 0 0 "[ . 1 . 2]" 2
1283 1 45 PHE HB3 1 50 ARG QB . . 4.510 2.835 2.585 3.462 . 0 0 "[ . 1 . 2]" 2
1284 1 45 PHE QD 1 47 ARG QD . . 5.340 3.820 3.285 4.571 . 0 0 "[ . 1 . 2]" 2
1285 1 45 PHE QD 1 50 ARG QB . . 3.560 2.564 2.044 3.456 . 0 0 "[ . 1 . 2]" 2
1286 1 45 PHE QD 1 50 ARG QG . . 5.150 3.357 2.126 4.610 . 0 0 "[ . 1 . 2]" 2
1287 1 45 PHE QE 1 50 ARG QB . . 4.380 3.489 3.048 4.395 0.015 7 0 "[ . 1 . 2]" 2
1288 1 46 LYS QB 1 46 LYS QD . . 3.300 2.069 1.968 2.292 . 0 0 "[ . 1 . 2]" 2
1289 1 46 LYS QB 1 46 LYS QE . . 4.510 2.981 1.965 3.687 . 0 0 "[ . 1 . 2]" 2
1290 1 46 LYS QB 1 47 ARG QD . . 4.040 2.833 2.585 2.955 . 0 0 "[ . 1 . 2]" 2
1291 1 46 LYS QE 1 46 LYS QG . . 3.350 2.158 1.957 2.325 . 0 0 "[ . 1 . 2]" 2
1292 1 47 ARG H 1 47 ARG QD . . 3.540 2.878 2.581 3.134 . 0 0 "[ . 1 . 2]" 2
1293 1 47 ARG HA 1 47 ARG QD . . 4.950 3.644 3.464 3.786 . 0 0 "[ . 1 . 2]" 2
1294 1 47 ARG QB 1 49 ASP H . . 4.880 2.403 2.280 2.665 . 0 0 "[ . 1 . 2]" 2
1295 1 47 ARG QB 1 50 ARG H . . 3.710 2.982 2.667 3.119 . 0 0 "[ . 1 . 2]" 2
1296 1 47 ARG QB 1 50 ARG QG . . 4.750 3.821 3.398 4.776 0.026 7 0 "[ . 1 . 2]" 2
1297 1 47 ARG QG 1 50 ARG QB . . 3.750 1.879 1.757 1.916 . 0 0 "[ . 1 . 2]" 2
1298 1 48 LYS HA 1 48 LYS QG . . 3.440 2.155 2.018 2.611 . 0 0 "[ . 1 . 2]" 2
1299 1 48 LYS QB 1 48 LYS QE . . 4.350 3.358 2.674 3.721 . 0 0 "[ . 1 . 2]" 2
1300 1 48 LYS QB 1 51 MET HG2 . . 5.340 4.352 4.229 4.506 . 0 0 "[ . 1 . 2]" 2
1301 1 48 LYS QG 1 51 MET HG2 . . 4.150 3.256 2.967 4.044 . 0 0 "[ . 1 . 2]" 2
1302 1 48 LYS QG 1 51 MET ME . . 3.970 3.624 3.397 3.975 0.005 10 0 "[ . 1 . 2]" 2
1303 1 50 ARG H 1 50 ARG QB . . 3.180 2.247 2.165 2.334 . 0 0 "[ . 1 . 2]" 2
1304 1 50 ARG H 1 50 ARG QG . . 3.880 3.100 2.397 3.960 0.080 7 0 "[ . 1 . 2]" 2
1305 1 50 ARG HA 1 50 ARG QG . . 3.510 2.598 2.302 2.781 . 0 0 "[ . 1 . 2]" 2
1306 1 50 ARG QB 1 50 ARG QD . . 3.480 2.241 1.948 2.454 . 0 0 "[ . 1 . 2]" 2
1307 1 50 ARG QB 1 51 MET H . . 3.130 2.311 2.180 2.428 . 0 0 "[ . 1 . 2]" 2
1308 1 50 ARG QB 1 51 MET HA . . 4.550 3.761 3.688 4.145 . 0 0 "[ . 1 . 2]" 2
1309 1 50 ARG QG 1 51 MET H . . 5.340 4.089 3.114 4.321 . 0 0 "[ . 1 . 2]" 2
1310 1 51 MET HA 1 55 VAL QG . . 4.180 3.326 3.114 3.474 . 0 0 "[ . 1 . 2]" 2
1311 1 51 MET HB2 1 55 VAL QG . . 3.570 2.824 2.697 2.916 . 0 0 "[ . 1 . 2]" 2
1312 1 51 MET ME 1 55 VAL QG . . 3.100 2.643 2.269 2.838 . 0 0 "[ . 1 . 2]" 2
1313 1 52 SER HA 1 55 VAL QG . . 3.630 3.504 3.340 3.631 0.001 4 0 "[ . 1 . 2]" 2
1314 1 52 SER QB 1 55 VAL QG . . 5.260 4.772 4.675 4.862 . 0 0 "[ . 1 . 2]" 2
1315 1 53 TYR HA 1 56 ARG QB . . 3.980 3.145 2.986 3.254 . 0 0 "[ . 1 . 2]" 2
1316 1 53 TYR HA 1 56 ARG QG . . 4.270 3.701 3.358 3.888 . 0 0 "[ . 1 . 2]" 2
1317 1 53 TYR QD 1 56 ARG QB . . 5.070 4.062 3.725 4.515 . 0 0 "[ . 1 . 2]" 2
1318 1 53 TYR QD 1 56 ARG QG . . 5.340 4.834 4.175 5.284 . 0 0 "[ . 1 . 2]" 2
1319 1 54 HIS H 1 55 VAL QG . . 4.850 3.975 3.849 4.052 . 0 0 "[ . 1 . 2]" 2
1320 1 54 HIS HB2 1 55 VAL QG . . 4.950 4.591 4.546 4.648 . 0 0 "[ . 1 . 2]" 2
1321 1 54 HIS HB3 1 55 VAL QG . . 4.510 3.128 3.059 3.238 . 0 0 "[ . 1 . 2]" 2
1322 1 54 HIS HD2 1 55 VAL QG . . 3.780 2.682 2.461 2.967 . 0 0 "[ . 1 . 2]" 2
1323 1 55 VAL H 1 55 VAL QG . . 3.040 2.204 2.042 2.425 . 0 0 "[ . 1 . 2]" 2
1324 1 55 VAL HA 1 55 VAL QG . . 2.940 2.096 2.072 2.129 . 0 0 "[ . 1 . 2]" 2
1325 1 55 VAL QG 1 56 ARG HA . . 3.980 3.339 3.176 3.471 . 0 0 "[ . 1 . 2]" 2
1326 1 55 VAL QG 1 56 ARG QG . . 4.440 3.312 3.125 3.449 . 0 0 "[ . 1 . 2]" 2
1327 1 55 VAL QG 1 56 ARG QD . . 4.800 3.682 2.813 4.275 . 0 0 "[ . 1 . 2]" 2
1328 1 55 VAL QG 1 58 HIS H . . 5.010 4.222 4.043 4.352 . 0 0 "[ . 1 . 2]" 2
1329 1 55 VAL QG 1 58 HIS HB3 . . 5.440 5.210 5.012 5.441 0.001 2 0 "[ . 1 . 2]" 2
1330 1 56 ARG H 1 56 ARG QG . . 2.940 1.968 1.934 2.035 . 0 0 "[ . 1 . 2]" 2
1331 1 56 ARG QB 1 57 SER H . . 4.390 2.706 2.615 2.857 . 0 0 "[ . 1 . 2]" 2
1332 1 56 ARG QB 1 58 HIS H . . 5.340 4.521 4.492 4.557 . 0 0 "[ . 1 . 2]" 2
1333 1 56 ARG QG 1 57 SER QB . . 5.340 5.348 5.339 5.358 0.018 10 0 "[ . 1 . 2]" 2
1334 1 62 VAL H 1 62 VAL QG . . 3.900 2.296 1.907 2.905 . 0 0 "[ . 1 . 2]" 2
1335 1 62 VAL HA 1 62 VAL QG . . 3.040 2.144 2.046 2.270 . 0 0 "[ . 1 . 2]" 2
1336 1 62 VAL QG 1 63 GLY QA . . 4.360 3.543 3.082 3.994 . 0 0 "[ . 1 . 2]" 2
1337 1 63 GLY QA 1 64 LYS QD . . 4.650 3.688 2.973 4.661 0.011 8 0 "[ . 1 . 2]" 2
1338 1 64 LYS HA 1 64 LYS QG . . 3.560 2.630 2.407 3.127 . 0 0 "[ . 1 . 2]" 2
1339 1 64 LYS HA 1 64 LYS QD . . 3.870 2.288 1.989 3.009 . 0 0 "[ . 1 . 2]" 2
1340 1 64 LYS QB 1 65 PRO HG2 . . 4.060 3.636 3.608 3.755 . 0 0 "[ . 1 . 2]" 2
1341 1 64 LYS QB 1 65 PRO QD . . 4.160 1.968 1.937 2.026 . 0 0 "[ . 1 . 2]" 2
1342 1 64 LYS QB 1 74 GLY HA2 . . 4.380 2.889 2.772 3.028 . 0 0 "[ . 1 . 2]" 2
1343 1 64 LYS QB 1 74 GLY HA3 . . 4.390 2.361 2.193 2.754 . 0 0 "[ . 1 . 2]" 2
1344 1 64 LYS QB 1 75 PHE H . . 4.050 2.609 2.369 2.979 . 0 0 "[ . 1 . 2]" 2
1345 1 64 LYS QB 1 76 SER HA . . 4.840 3.566 2.948 3.809 . 0 0 "[ . 1 . 2]" 2
1346 1 64 LYS QE 1 64 LYS QG . . 3.430 2.146 1.984 2.371 . 0 0 "[ . 1 . 2]" 2
1347 1 64 LYS QG 1 75 PHE HA . . 4.840 2.656 2.390 2.959 . 0 0 "[ . 1 . 2]" 2
1348 1 64 LYS QG 1 76 SER HA . . 4.400 2.905 1.978 4.146 . 0 0 "[ . 1 . 2]" 2
1349 1 64 LYS QG 1 76 SER QB . . 4.790 3.956 3.289 4.781 . 0 0 "[ . 1 . 2]" 2
1350 1 64 LYS QD 1 76 SER HA . . 4.490 3.116 1.928 4.175 . 0 0 "[ . 1 . 2]" 2
1351 1 64 LYS QD 1 76 SER QB . . 5.180 4.047 3.088 4.972 . 0 0 "[ . 1 . 2]" 2
1352 1 65 PRO QB 1 66 TYR H . . 3.780 2.894 2.854 3.067 . 0 0 "[ . 1 . 2]" 2
1353 1 65 PRO QB 1 66 TYR HA . . 4.990 4.146 4.034 4.232 . 0 0 "[ . 1 . 2]" 2
1354 1 65 PRO QB 1 66 TYR QD . . 4.510 3.398 2.953 3.733 . 0 0 "[ . 1 . 2]" 2
1355 1 65 PRO QB 1 66 TYR QE . . 4.730 3.554 3.233 3.869 . 0 0 "[ . 1 . 2]" 2
1356 1 66 TYR H 1 66 TYR QB . . 3.080 2.565 2.511 2.607 . 0 0 "[ . 1 . 2]" 2
1357 1 66 TYR HA 1 81 LEU QD . . 4.460 3.955 3.775 4.089 . 0 0 "[ . 1 . 2]" 2
1358 1 66 TYR QB 1 67 ILE H . . 4.170 3.020 2.957 3.149 . 0 0 "[ . 1 . 2]" 2
1359 1 66 TYR QB 1 75 PHE H . . 4.330 3.714 3.682 3.773 . 0 0 "[ . 1 . 2]" 2
1360 1 66 TYR QB 1 81 LEU HB3 . . 3.980 3.838 3.702 3.957 . 0 0 "[ . 1 . 2]" 2
1361 1 66 TYR QB 1 81 LEU QD . . 3.160 2.320 1.971 2.464 . 0 0 "[ . 1 . 2]" 2
1362 1 66 TYR QD 1 81 LEU QD . . 4.060 3.951 3.672 4.006 . 0 0 "[ . 1 . 2]" 2
1363 1 66 TYR QE 1 78 PRO QG . . 4.270 3.412 3.170 3.621 . 0 0 "[ . 1 . 2]" 2
1364 1 66 TYR QE 1 81 LEU QD . . 5.440 5.400 5.058 5.450 0.010 11 0 "[ . 1 . 2]" 2
1365 1 67 ILE H 1 81 LEU QD . . 4.650 3.247 3.078 3.399 . 0 0 "[ . 1 . 2]" 2
1366 1 67 ILE HA 1 81 LEU QD . . 3.850 2.908 2.728 3.248 . 0 0 "[ . 1 . 2]" 2
1367 1 67 ILE MG 1 72 GLY QA . . 3.920 3.832 3.822 3.855 . 0 0 "[ . 1 . 2]" 2
1368 1 67 ILE HG12 1 81 LEU QD . . 5.130 4.233 4.081 4.332 . 0 0 "[ . 1 . 2]" 2
1369 1 68 CYS H 1 81 LEU QD . . 3.770 2.430 2.264 2.816 . 0 0 "[ . 1 . 2]" 2
1370 1 68 CYS HA 1 81 LEU QD . . 3.220 1.934 1.870 1.999 . 0 0 "[ . 1 . 2]" 2
1371 1 68 CYS HB2 1 73 LYS QB . . 4.090 3.535 3.396 3.567 . 0 0 "[ . 1 . 2]" 2
1372 1 68 CYS HB2 1 81 LEU QD . . 3.200 2.427 2.178 2.881 . 0 0 "[ . 1 . 2]" 2
1373 1 68 CYS HB3 1 81 LEU QD . . 4.060 3.558 3.358 3.888 . 0 0 "[ . 1 . 2]" 2
1374 1 69 GLN QB 1 70 SER H . . 4.130 3.476 3.278 3.810 . 0 0 "[ . 1 . 2]" 2
1375 1 69 GLN QG 1 81 LEU QD . . 5.140 4.278 3.424 5.049 . 0 0 "[ . 1 . 2]" 2
1376 1 70 SER H 1 70 SER QB . . 3.120 2.353 2.291 3.068 . 0 0 "[ . 1 . 2]" 2
1377 1 70 SER H 1 81 LEU QD . . 5.280 4.681 4.567 4.829 . 0 0 "[ . 1 . 2]" 2
1378 1 70 SER QB 1 71 CYS H . . 3.420 2.108 2.031 2.145 . 0 0 "[ . 1 . 2]" 2
1379 1 70 SER QB 1 89 HIS HB3 . . 5.060 4.236 4.061 4.425 . 0 0 "[ . 1 . 2]" 2
1380 1 70 SER QB 1 89 HIS HD2 . . 4.650 3.296 3.006 4.203 . 0 0 "[ . 1 . 2]" 2
1381 1 70 SER QB 1 89 HIS HE1 . . 4.040 2.499 2.391 2.773 . 0 0 "[ . 1 . 2]" 2
1382 1 71 CYS H 1 72 GLY QA . . 4.510 4.338 4.324 4.358 . 0 0 "[ . 1 . 2]" 2
1383 1 71 CYS QB 1 73 LYS H . . 4.600 4.102 3.670 4.289 . 0 0 "[ . 1 . 2]" 2
1384 1 71 CYS QB 1 89 HIS HE1 . . 3.190 2.845 2.689 3.070 . 0 0 "[ . 1 . 2]" 2
1385 1 73 LYS H 1 73 LYS QB . . 2.900 2.275 2.247 2.292 . 0 0 "[ . 1 . 2]" 2
1386 1 73 LYS H 1 73 LYS QG . . 4.760 3.969 3.962 3.976 . 0 0 "[ . 1 . 2]" 2
1387 1 73 LYS H 1 81 LEU QD . . 5.170 4.267 4.069 4.734 . 0 0 "[ . 1 . 2]" 2
1388 1 73 LYS HA 1 73 LYS QG . . 3.590 2.456 2.422 2.486 . 0 0 "[ . 1 . 2]" 2
1389 1 73 LYS QB 1 74 GLY H . . 3.420 1.932 1.928 1.937 . 0 0 "[ . 1 . 2]" 2
1390 1 73 LYS QB 1 75 PHE QE . . 3.790 2.875 2.712 2.968 . 0 0 "[ . 1 . 2]" 2
1391 1 73 LYS QB 1 75 PHE HZ . . 4.570 4.236 3.914 4.368 . 0 0 "[ . 1 . 2]" 2
1392 1 73 LYS QE 1 73 LYS QG . . 3.190 2.109 1.977 2.326 . 0 0 "[ . 1 . 2]" 2
1393 1 73 LYS QG 1 74 GLY H . . 3.690 2.648 2.616 2.679 . 0 0 "[ . 1 . 2]" 2
1394 1 73 LYS QG 1 74 GLY HA2 . . 4.880 4.339 4.313 4.364 . 0 0 "[ . 1 . 2]" 2
1395 1 73 LYS QG 1 74 GLY HA3 . . 4.570 3.634 3.556 3.779 . 0 0 "[ . 1 . 2]" 2
1396 1 73 LYS QG 1 75 PHE HZ . . 5.150 4.907 4.595 5.053 . 0 0 "[ . 1 . 2]" 2
1397 1 73 LYS QD 1 75 PHE QE . . 4.940 3.566 3.261 3.793 . 0 0 "[ . 1 . 2]" 2
1398 1 73 LYS QD 1 75 PHE HZ . . 3.860 3.536 3.183 3.752 . 0 0 "[ . 1 . 2]" 2
1399 1 73 LYS QD 1 84 HIS HE1 . . 4.010 3.805 3.663 3.978 . 0 0 "[ . 1 . 2]" 2
1400 1 74 GLY HA2 1 81 LEU QD . . 5.180 3.941 3.734 4.307 . 0 0 "[ . 1 . 2]" 2
1401 1 75 PHE H 1 81 LEU QD . . 4.400 3.827 3.610 4.052 . 0 0 "[ . 1 . 2]" 2
1402 1 75 PHE HB2 1 81 LEU QD . . 4.430 3.341 3.217 3.546 . 0 0 "[ . 1 . 2]" 2
1403 1 75 PHE HB3 1 81 LEU QD . . 5.060 4.449 4.322 4.720 . 0 0 "[ . 1 . 2]" 2
1404 1 75 PHE QD 1 81 LEU QD . . 3.280 2.332 2.173 2.640 . 0 0 "[ . 1 . 2]" 2
1405 1 75 PHE QE 1 81 LEU QD . . 3.670 2.657 2.435 3.084 . 0 0 "[ . 1 . 2]" 2
1406 1 75 PHE HZ 1 81 LEU QD . . 5.440 4.180 3.898 4.730 . 0 0 "[ . 1 . 2]" 2
1407 1 76 SER QB 1 77 ARG QG . . 4.640 4.300 3.945 4.507 . 0 0 "[ . 1 . 2]" 2
1408 1 77 ARG H 1 77 ARG QG . . 4.030 3.864 3.701 3.975 . 0 0 "[ . 1 . 2]" 2
1409 1 77 ARG H 1 77 ARG QD . . 3.740 2.984 2.755 3.178 . 0 0 "[ . 1 . 2]" 2
1410 1 77 ARG HA 1 77 ARG QG . . 3.570 2.162 2.076 2.262 . 0 0 "[ . 1 . 2]" 2
1411 1 77 ARG HA 1 77 ARG QD . . 3.830 2.939 2.543 3.519 . 0 0 "[ . 1 . 2]" 2
1412 1 77 ARG QG 1 78 PRO QG . . 4.540 3.838 3.714 3.985 . 0 0 "[ . 1 . 2]" 2
1413 1 77 ARG QG 1 78 PRO HD2 . . 3.260 2.267 2.088 2.467 . 0 0 "[ . 1 . 2]" 2
1414 1 77 ARG QG 1 80 HIS H . . 4.930 4.659 4.548 4.808 . 0 0 "[ . 1 . 2]" 2
1415 1 77 ARG QG 1 80 HIS QB . . 5.340 5.131 5.049 5.177 . 0 0 "[ . 1 . 2]" 2
1416 1 77 ARG QG 1 80 HIS HE1 . . 5.340 5.301 5.158 5.341 0.001 5 0 "[ . 1 . 2]" 2
1417 1 77 ARG QD 1 80 HIS HE1 . . 4.230 3.942 3.355 4.230 . 0 0 "[ . 1 . 2]" 2
1418 1 78 PRO HA 1 81 LEU QD . . 4.130 3.769 3.556 3.901 . 0 0 "[ . 1 . 2]" 2
1419 1 79 ASP HA 1 79 ASP QB . . 2.580 2.473 2.304 2.539 . 0 0 "[ . 1 . 2]" 2
1420 1 79 ASP HA 1 82 ASN QD . . 5.220 4.270 4.026 5.226 0.006 11 0 "[ . 1 . 2]" 2
1421 1 81 LEU H 1 81 LEU QD . . 4.450 3.724 3.678 3.796 . 0 0 "[ . 1 . 2]" 2
1422 1 81 LEU HA 1 81 LEU QD . . 3.110 1.981 1.971 2.060 . 0 0 "[ . 1 . 2]" 2
1423 1 81 LEU QD 1 82 ASN H . . 4.810 4.000 3.789 4.131 . 0 0 "[ . 1 . 2]" 2
1424 1 81 LEU QD 1 84 HIS H . . 4.960 4.278 4.093 4.519 . 0 0 "[ . 1 . 2]" 2
1425 1 81 LEU QD 1 84 HIS HB2 . . 4.680 3.859 3.650 4.347 . 0 0 "[ . 1 . 2]" 2
1426 1 81 LEU QD 1 84 HIS HB3 . . 4.170 2.822 2.579 3.118 . 0 0 "[ . 1 . 2]" 2
1427 1 81 LEU QD 1 84 HIS HD2 . . 3.480 3.256 3.026 3.483 0.003 10 0 "[ . 1 . 2]" 2
1428 1 81 LEU QD 1 85 ILE H . . 4.200 3.913 3.608 4.170 . 0 0 "[ . 1 . 2]" 2
1429 1 81 LEU QD 1 85 ILE HG12 . . 4.220 3.562 3.118 3.902 . 0 0 "[ . 1 . 2]" 2
1430 1 81 LEU QD 1 85 ILE HG13 . . 3.580 2.943 2.530 3.239 . 0 0 "[ . 1 . 2]" 2
1431 1 82 ASN H 1 82 ASN QD . . 4.110 4.124 4.068 4.295 0.185 14 0 "[ . 1 . 2]" 2
1432 1 82 ASN QD 1 83 GLY H . . 4.920 3.091 2.629 4.069 . 0 0 "[ . 1 . 2]" 2
1433 1 82 ASN QD 1 83 GLY HA2 . . 4.180 3.167 2.881 4.218 0.038 14 0 "[ . 1 . 2]" 2
1434 1 84 HIS HA 1 88 VAL QG . . 4.360 3.478 2.685 4.276 . 0 0 "[ . 1 . 2]" 2
1435 1 84 HIS HE1 1 88 VAL QG . . 3.550 2.507 2.105 3.496 . 0 0 "[ . 1 . 2]" 2
1436 1 86 LYS H 1 86 LYS QG . . 4.000 3.691 2.616 4.009 0.009 12 0 "[ . 1 . 2]" 2
1437 1 86 LYS HA 1 86 LYS QG . . 3.500 2.118 2.007 2.440 . 0 0 "[ . 1 . 2]" 2
1438 1 86 LYS QE 1 86 LYS QG . . 2.850 2.124 1.969 2.317 . 0 0 "[ . 1 . 2]" 2
1439 1 86 LYS QG 1 87 GLN H . . 5.160 4.570 4.057 4.797 . 0 0 "[ . 1 . 2]" 2
1440 1 86 LYS QG 1 90 SER HA . . 5.340 4.574 3.403 5.344 0.004 18 0 "[ . 1 . 2]" 2
1441 1 86 LYS QG 1 90 SER QB . . 4.970 3.440 2.414 4.971 0.001 13 0 "[ . 1 . 2]" 2
1442 1 87 GLN H 1 88 VAL QG . . 4.590 4.315 4.104 4.485 . 0 0 "[ . 1 . 2]" 2
1443 1 87 GLN HB2 1 88 VAL QG . . 4.750 4.059 3.606 4.340 . 0 0 "[ . 1 . 2]" 2
1444 1 87 GLN HB3 1 88 VAL QG . . 3.480 2.749 2.473 2.991 . 0 0 "[ . 1 . 2]" 2
1445 1 87 GLN QG 1 88 VAL QG . . 4.550 3.720 2.550 4.468 . 0 0 "[ . 1 . 2]" 2
1446 1 88 VAL H 1 88 VAL QG . . 3.180 2.314 2.135 2.650 . 0 0 "[ . 1 . 2]" 2
1447 1 88 VAL HA 1 88 VAL QG . . 2.840 2.071 2.044 2.132 . 0 0 "[ . 1 . 2]" 2
1448 1 88 VAL QG 1 89 HIS H . . 4.190 2.941 2.673 3.133 . 0 0 "[ . 1 . 2]" 2
1449 1 88 VAL QG 1 89 HIS HA . . 4.830 3.452 3.260 3.558 . 0 0 "[ . 1 . 2]" 2
1450 1 88 VAL QG 1 89 HIS HD2 . . 5.440 4.092 3.472 4.621 . 0 0 "[ . 1 . 2]" 2
1451 1 88 VAL QG 1 89 HIS HE1 . . 3.910 3.289 2.942 3.673 . 0 0 "[ . 1 . 2]" 2
1452 1 91 GLY QA 1 92 PRO QD . . 2.970 2.036 1.954 2.191 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:30:05 PM GMT (wattos1)