NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509538 |
2yuu   |
11151 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yuu
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 26
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 3.823
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0019
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 HIS 0.041 0.005 8 0 "[ . 1 . 2]"
1 31 CYS 0.047 0.008 20 0 "[ . 1 . 2]"
1 34 CYS 0.010 0.003 19 0 "[ . 1 . 2]"
1 48 CYS 0.062 0.006 7 0 "[ . 1 . 2]"
1 51 CYS 0.055 0.006 7 0 "[ . 1 . 2]"
1 56 HIS 0.027 0.005 13 0 "[ . 1 . 2]"
1 59 CYS 0.051 0.008 20 0 "[ . 1 . 2]"
1 67 CYS 0.067 0.005 8 0 "[ . 1 . 2]"
2 1 ZN 0.015 0.003 20 0 "[ . 1 . 2]"
3 1 ZN 0.006 0.003 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 HIS ND1 2 1 ZN ZN . . 2.100 2.086 2.026 2.100 . 0 0 "[ . 1 . 2]" 1
2 1 48 CYS SG 2 1 ZN ZN . 2.190 2.390 2.372 2.279 2.392 0.002 16 0 "[ . 1 . 2]" 1
3 1 48 CYS CB 2 1 ZN ZN . 3.250 3.510 3.280 3.250 3.320 . 0 0 "[ . 1 . 2]" 1
4 1 51 CYS SG 2 1 ZN ZN . 2.190 2.390 2.272 2.187 2.372 0.003 20 0 "[ . 1 . 2]" 1
5 1 51 CYS CB 2 1 ZN ZN . 3.250 3.510 3.493 3.382 3.512 0.002 16 0 "[ . 1 . 2]" 1
6 1 67 CYS SG 2 1 ZN ZN . 2.190 2.390 2.344 2.241 2.392 0.002 19 0 "[ . 1 . 2]" 1
7 1 67 CYS CB 2 1 ZN ZN . 3.250 3.510 3.446 3.351 3.502 . 0 0 "[ . 1 . 2]" 1
8 1 18 HIS ND1 1 48 CYS SG . 3.320 3.720 3.694 3.531 3.725 0.005 7 0 "[ . 1 . 2]" 1
9 1 18 HIS ND1 1 51 CYS SG . 3.320 3.720 3.694 3.556 3.722 0.002 11 0 "[ . 1 . 2]" 1
10 1 18 HIS ND1 1 67 CYS SG . 3.320 3.720 3.323 3.315 3.347 0.005 8 0 "[ . 1 . 2]" 1
11 1 48 CYS SG 1 51 CYS SG . 3.560 3.960 3.569 3.554 3.633 0.006 7 0 "[ . 1 . 2]" 1
12 1 48 CYS SG 1 67 CYS SG . 3.560 3.960 3.960 3.945 3.965 0.005 11 0 "[ . 1 . 2]" 1
13 1 51 CYS SG 1 67 CYS SG . 3.560 3.960 3.955 3.922 3.964 0.004 8 0 "[ . 1 . 2]" 1
14 1 31 CYS SG 3 1 ZN ZN . 2.190 2.390 2.316 2.189 2.393 0.003 20 0 "[ . 1 . 2]" 1
15 1 31 CYS CB 3 1 ZN ZN . 3.250 3.510 3.300 3.249 3.394 0.001 10 0 "[ . 1 . 2]" 1
16 1 34 CYS SG 3 1 ZN ZN . 2.190 2.390 2.317 2.224 2.382 . 0 0 "[ . 1 . 2]" 1
17 1 34 CYS CB 3 1 ZN ZN . 3.250 3.510 3.362 3.266 3.491 . 0 0 "[ . 1 . 2]" 1
18 1 56 HIS ND1 3 1 ZN ZN . . 2.100 1.998 1.905 2.088 . 0 0 "[ . 1 . 2]" 1
19 1 59 CYS SG 3 1 ZN ZN . 2.190 2.390 2.292 2.227 2.380 . 0 0 "[ . 1 . 2]" 1
20 1 59 CYS CB 3 1 ZN ZN . 3.250 3.510 3.419 3.297 3.505 . 0 0 "[ . 1 . 2]" 1
21 1 31 CYS SG 1 34 CYS SG . 3.560 3.960 3.730 3.569 3.957 . 0 0 "[ . 1 . 2]" 1
22 1 31 CYS SG 1 56 HIS ND1 . 3.320 3.720 3.367 3.317 3.527 0.003 19 0 "[ . 1 . 2]" 1
23 1 31 CYS SG 1 59 CYS SG . 3.560 3.960 3.959 3.934 3.968 0.008 20 0 "[ . 1 . 2]" 1
24 1 34 CYS SG 1 56 HIS ND1 . 3.320 3.720 3.345 3.317 3.433 0.003 19 0 "[ . 1 . 2]" 1
25 1 34 CYS SG 1 59 CYS SG . 3.560 3.960 3.672 3.557 3.938 0.003 16 0 "[ . 1 . 2]" 1
26 1 56 HIS ND1 1 59 CYS SG . 3.320 3.720 3.703 3.613 3.725 0.005 13 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 1345
_Distance_constraint_stats_list.Viol_count 717
_Distance_constraint_stats_list.Viol_total 207.613
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0145
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.170 0.051 13 0 "[ . 1 . 2]"
1 12 ILE 0.433 0.051 13 0 "[ . 1 . 2]"
1 13 HIS 0.741 0.034 2 0 "[ . 1 . 2]"
1 14 TYR 0.982 0.060 8 0 "[ . 1 . 2]"
1 15 ILE 3.435 0.094 19 0 "[ . 1 . 2]"
1 16 LYS 0.859 0.055 9 0 "[ . 1 . 2]"
1 17 ASN 0.548 0.074 19 0 "[ . 1 . 2]"
1 18 HIS 1.170 0.055 9 0 "[ . 1 . 2]"
1 19 GLU 0.277 0.051 13 0 "[ . 1 . 2]"
1 20 PHE 0.273 0.051 13 0 "[ . 1 . 2]"
1 21 ILE 1.063 0.057 13 0 "[ . 1 . 2]"
1 22 ALA 0.454 0.054 11 0 "[ . 1 . 2]"
1 23 THR 0.109 0.045 20 0 "[ . 1 . 2]"
1 24 PHE 0.048 0.029 10 0 "[ . 1 . 2]"
1 25 PHE 0.036 0.029 10 0 "[ . 1 . 2]"
1 26 GLY 0.005 0.003 7 0 "[ . 1 . 2]"
1 27 GLN 0.087 0.033 15 0 "[ . 1 . 2]"
1 28 PRO 0.090 0.025 10 0 "[ . 1 . 2]"
1 29 THR 0.078 0.026 10 0 "[ . 1 . 2]"
1 30 PHE 0.094 0.042 7 0 "[ . 1 . 2]"
1 31 CYS 0.179 0.042 7 0 "[ . 1 . 2]"
1 32 SER 0.054 0.010 14 0 "[ . 1 . 2]"
1 33 VAL 0.193 0.027 2 0 "[ . 1 . 2]"
1 34 CYS 0.049 0.008 15 0 "[ . 1 . 2]"
1 35 LYS 0.182 0.044 15 0 "[ . 1 . 2]"
1 36 ASP 0.022 0.010 16 0 "[ . 1 . 2]"
1 37 PHE 0.067 0.024 15 0 "[ . 1 . 2]"
1 38 VAL 0.182 0.026 10 0 "[ . 1 . 2]"
1 39 TRP 0.130 0.025 10 0 "[ . 1 . 2]"
1 41 LEU 0.297 0.103 17 0 "[ . 1 . 2]"
1 43 LYS 0.040 0.040 17 0 "[ . 1 . 2]"
1 44 GLN 0.083 0.028 14 0 "[ . 1 . 2]"
1 45 GLY 0.079 0.028 14 0 "[ . 1 . 2]"
1 46 TYR 0.264 0.022 20 0 "[ . 1 . 2]"
1 47 LYS 0.334 0.050 20 0 "[ . 1 . 2]"
1 48 CYS 0.007 0.007 12 0 "[ . 1 . 2]"
1 49 ARG 0.365 0.057 13 0 "[ . 1 . 2]"
1 50 GLN 0.965 0.075 3 0 "[ . 1 . 2]"
1 51 CYS 0.330 0.047 19 0 "[ . 1 . 2]"
1 52 ASN 0.157 0.050 20 0 "[ . 1 . 2]"
1 53 ALA 0.029 0.013 19 0 "[ . 1 . 2]"
1 54 ALA 0.048 0.012 8 0 "[ . 1 . 2]"
1 55 ILE 0.207 0.026 10 0 "[ . 1 . 2]"
1 56 HIS 0.128 0.017 10 0 "[ . 1 . 2]"
1 57 LYS 0.237 0.029 10 0 "[ . 1 . 2]"
1 58 LYS 0.248 0.164 16 0 "[ . 1 . 2]"
1 59 CYS 0.143 0.017 10 0 "[ . 1 . 2]"
1 60 ILE 0.281 0.029 10 0 "[ . 1 . 2]"
1 61 ASP 0.079 0.049 10 0 "[ . 1 . 2]"
1 62 LYS 0.221 0.049 10 0 "[ . 1 . 2]"
1 63 ILE 0.207 0.026 10 0 "[ . 1 . 2]"
1 64 ILE 0.053 0.019 4 0 "[ . 1 . 2]"
1 65 GLY 0.037 0.022 18 0 "[ . 1 . 2]"
1 66 ARG 0.274 0.074 19 0 "[ . 1 . 2]"
1 67 CYS 0.281 0.039 13 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.037 0.024 13 0 "[ . 1 . 2]"
1 70 THR 0.054 0.019 16 0 "[ . 1 . 2]"
1 71 ALA 0.052 0.019 16 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.004 0.004 19 0 "[ . 1 . 2]"
1 80 PRO 0.004 0.004 19 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 15 ILE HA 1 16 LYS H . . 3.310 2.209 2.190 2.237 . 0 0 "[ . 1 . 2]" 2
2 1 15 ILE HG13 1 16 LYS H . . 4.220 3.633 3.562 3.688 . 0 0 "[ . 1 . 2]" 2
3 1 67 CYS HA 1 69 GLY H . . 4.400 4.001 3.591 4.323 . 0 0 "[ . 1 . 2]" 2
4 1 68 THR MG 1 69 GLY H . . 4.520 3.170 1.852 4.365 . 0 0 "[ . 1 . 2]" 2
5 1 68 THR H 1 69 GLY H . . 3.260 2.402 2.009 2.834 . 0 0 "[ . 1 . 2]" 2
6 1 68 THR HB 1 69 GLY H . . 4.700 4.185 3.586 4.643 . 0 0 "[ . 1 . 2]" 2
7 1 67 CYS HB3 1 69 GLY H . . 4.700 4.031 3.358 4.676 . 0 0 "[ . 1 . 2]" 2
8 1 56 HIS HB2 1 58 LYS H . . 4.640 3.175 3.098 3.302 . 0 0 "[ . 1 . 2]" 2
9 1 56 HIS HB3 1 58 LYS H . . 4.790 2.609 2.467 2.736 . 0 0 "[ . 1 . 2]" 2
10 1 58 LYS H 1 58 LYS QB . . 3.660 2.641 2.414 2.739 . 0 0 "[ . 1 . 2]" 2
11 1 57 LYS HB3 1 58 LYS H . . 4.570 2.951 2.833 3.068 . 0 0 "[ . 1 . 2]" 2
12 1 58 LYS H 1 58 LYS HG3 . . 4.470 3.110 2.580 3.482 . 0 0 "[ . 1 . 2]" 2
13 1 58 LYS H 1 58 LYS HG2 . . 4.300 2.218 1.913 3.494 . 0 0 "[ . 1 . 2]" 2
14 1 13 HIS HA 1 14 TYR H . . 2.870 2.167 2.149 2.180 . 0 0 "[ . 1 . 2]" 2
15 1 14 TYR H 1 14 TYR HB3 . . 3.730 3.587 3.499 3.620 . 0 0 "[ . 1 . 2]" 2
16 1 14 TYR H 1 14 TYR HB2 . . 3.370 2.447 2.198 2.572 . 0 0 "[ . 1 . 2]" 2
17 1 13 HIS HB3 1 14 TYR H . . 4.230 3.784 3.668 3.838 . 0 0 "[ . 1 . 2]" 2
18 1 13 HIS H 1 14 TYR H . . 4.570 4.217 4.163 4.275 . 0 0 "[ . 1 . 2]" 2
19 1 13 HIS H 1 20 PHE H . . 4.210 4.066 3.918 4.209 . 0 0 "[ . 1 . 2]" 2
20 1 12 ILE HB 1 13 HIS H . . 4.430 3.963 3.708 4.106 . 0 0 "[ . 1 . 2]" 2
21 1 13 HIS H 1 13 HIS HD2 . . 3.940 1.972 1.897 2.125 . 0 0 "[ . 1 . 2]" 2
22 1 12 ILE HA 1 13 HIS H . . 2.930 2.189 2.160 2.240 . 0 0 "[ . 1 . 2]" 2
23 1 13 HIS H 1 20 PHE HB2 . . 4.360 3.689 3.505 3.820 . 0 0 "[ . 1 . 2]" 2
24 1 13 HIS H 1 13 HIS HB2 . . 3.540 2.655 2.626 2.686 . 0 0 "[ . 1 . 2]" 2
25 1 12 ILE HG12 1 13 HIS H . . 4.610 4.440 4.364 4.567 . 0 0 "[ . 1 . 2]" 2
26 1 70 THR H 1 71 ALA H . . 4.540 4.262 2.649 4.550 0.010 5 0 "[ . 1 . 2]" 2
27 1 70 THR HA 1 71 ALA H . . 3.290 2.359 2.145 3.304 0.014 16 0 "[ . 1 . 2]" 2
28 1 70 THR HB 1 71 ALA H . . 4.230 3.360 2.092 4.249 0.019 16 0 "[ . 1 . 2]" 2
29 1 71 ALA H 1 71 ALA MB . . 3.340 2.298 2.086 2.694 . 0 0 "[ . 1 . 2]" 2
30 1 70 THR MG 1 71 ALA H . . 4.630 3.713 2.640 4.240 . 0 0 "[ . 1 . 2]" 2
31 1 69 GLY H 1 70 THR H . . 4.120 3.187 2.114 4.122 0.002 19 0 "[ . 1 . 2]" 2
32 1 70 THR H 1 70 THR HB . . 3.840 3.486 2.459 3.817 . 0 0 "[ . 1 . 2]" 2
33 1 70 THR H 1 70 THR MG . . 3.800 2.632 2.049 3.268 . 0 0 "[ . 1 . 2]" 2
34 1 64 ILE H 1 64 ILE HG13 . . 4.430 3.311 2.663 4.292 . 0 0 "[ . 1 . 2]" 2
35 1 64 ILE H 1 65 GLY H . . 4.240 3.143 1.885 4.195 . 0 0 "[ . 1 . 2]" 2
36 1 63 ILE HA 1 64 ILE H . . 3.050 2.235 2.180 2.289 . 0 0 "[ . 1 . 2]" 2
37 1 31 CYS H 1 35 LYS HA . . 4.350 2.871 2.372 3.386 . 0 0 "[ . 1 . 2]" 2
38 1 31 CYS H 1 31 CYS HB3 . . 3.250 2.534 2.372 2.688 . 0 0 "[ . 1 . 2]" 2
39 1 31 CYS H 1 31 CYS HB2 . . 3.360 2.644 2.386 3.048 . 0 0 "[ . 1 . 2]" 2
40 1 31 CYS H 1 32 SER H . . 5.140 4.602 4.513 4.645 . 0 0 "[ . 1 . 2]" 2
41 1 31 CYS H 1 38 VAL H . . 5.320 4.357 3.573 5.329 0.009 8 0 "[ . 1 . 2]" 2
42 1 30 PHE QB 1 31 CYS H . . 4.000 3.770 3.156 3.983 . 0 0 "[ . 1 . 2]" 2
43 1 31 CYS H 1 38 VAL MG2 . . 4.330 2.692 2.004 3.570 . 0 0 "[ . 1 . 2]" 2
44 1 29 THR MG 1 54 ALA H . . 4.980 4.335 3.720 4.798 . 0 0 "[ . 1 . 2]" 2
45 1 54 ALA H 1 55 ILE MG . . 5.180 3.958 3.863 4.018 . 0 0 "[ . 1 . 2]" 2
46 1 25 PHE H 1 25 PHE QD . . 4.430 2.309 1.908 3.041 . 0 0 "[ . 1 . 2]" 2
47 1 24 PHE HA 1 25 PHE H . . 3.250 2.160 2.138 2.259 . 0 0 "[ . 1 . 2]" 2
48 1 25 PHE H 1 25 PHE HB2 . . 3.800 2.700 2.576 2.843 . 0 0 "[ . 1 . 2]" 2
49 1 45 GLY H 1 46 TYR H . . 4.750 4.082 3.745 4.386 . 0 0 "[ . 1 . 2]" 2
50 1 25 PHE QE 1 45 GLY H . . 4.550 2.354 1.987 2.958 . 0 0 "[ . 1 . 2]" 2
51 1 24 PHE HA 1 45 GLY H . . 4.180 3.725 3.169 4.099 . 0 0 "[ . 1 . 2]" 2
52 1 44 GLN HA 1 45 GLY H . . 2.940 2.403 2.215 2.567 . 0 0 "[ . 1 . 2]" 2
53 1 44 GLN HB2 1 45 GLY H . . 4.290 2.816 2.130 4.199 . 0 0 "[ . 1 . 2]" 2
54 1 44 GLN HB3 1 45 GLY H . . 4.290 3.739 3.474 4.070 . 0 0 "[ . 1 . 2]" 2
55 1 53 ALA HA 1 54 ALA H . . 2.650 2.186 2.163 2.210 . 0 0 "[ . 1 . 2]" 2
56 1 47 LYS HB2 1 54 ALA H . . 5.160 4.852 4.652 5.036 . 0 0 "[ . 1 . 2]" 2
57 1 53 ALA MB 1 54 ALA H . . 3.570 3.479 3.413 3.525 . 0 0 "[ . 1 . 2]" 2
58 1 11 LYS H 1 12 ILE H . . 4.420 4.383 4.332 4.471 0.051 13 0 "[ . 1 . 2]" 2
59 1 11 LYS HA 1 12 ILE H . . 2.650 2.278 2.140 2.481 . 0 0 "[ . 1 . 2]" 2
60 1 12 ILE H 1 12 ILE HG12 . . 3.760 3.605 3.406 3.740 . 0 0 "[ . 1 . 2]" 2
61 1 12 ILE H 1 12 ILE MG . . 3.980 3.847 3.813 3.897 . 0 0 "[ . 1 . 2]" 2
62 1 12 ILE H 1 12 ILE HB . . 3.180 2.653 2.566 2.786 . 0 0 "[ . 1 . 2]" 2
63 1 12 ILE H 1 12 ILE HG13 . . 3.320 2.469 2.232 2.575 . 0 0 "[ . 1 . 2]" 2
64 1 11 LYS QG 1 12 ILE H . . 3.880 3.424 2.723 3.882 0.002 14 0 "[ . 1 . 2]" 2
65 1 23 THR HA 1 24 PHE H . . 3.330 2.268 2.190 2.333 . 0 0 "[ . 1 . 2]" 2
66 1 24 PHE H 1 24 PHE HB3 . . 4.070 2.671 2.368 2.803 . 0 0 "[ . 1 . 2]" 2
67 1 48 CYS H 1 53 ALA H . . 4.000 2.556 2.415 2.840 . 0 0 "[ . 1 . 2]" 2
68 1 52 ASN H 1 53 ALA H . . 3.440 2.716 2.643 2.857 . 0 0 "[ . 1 . 2]" 2
69 1 48 CYS HB3 1 53 ALA H . . 3.080 1.983 1.897 2.170 . 0 0 "[ . 1 . 2]" 2
70 1 18 HIS H 1 67 CYS H . . 5.310 5.109 4.587 5.315 0.005 10 0 "[ . 1 . 2]" 2
71 1 66 ARG QB 1 67 CYS H . . 3.610 2.154 1.879 2.556 . 0 0 "[ . 1 . 2]" 2
72 1 66 ARG HG2 1 67 CYS H . . 4.160 3.924 3.610 4.193 0.033 13 0 "[ . 1 . 2]" 2
73 1 67 CYS H 1 67 CYS HB2 . . 3.210 2.591 2.368 2.691 . 0 0 "[ . 1 . 2]" 2
74 1 32 SER H 1 54 ALA H . . 5.360 5.192 5.029 5.346 . 0 0 "[ . 1 . 2]" 2
75 1 32 SER H 1 55 ILE HA . . 3.780 3.185 3.008 3.346 . 0 0 "[ . 1 . 2]" 2
76 1 31 CYS HA 1 32 SER H . . 2.800 2.392 2.371 2.413 . 0 0 "[ . 1 . 2]" 2
77 1 32 SER H 1 32 SER HB2 . . 3.310 2.980 2.720 3.115 . 0 0 "[ . 1 . 2]" 2
78 1 32 SER H 1 33 VAL MG2 . . 4.720 3.881 3.675 4.133 . 0 0 "[ . 1 . 2]" 2
79 1 32 SER H 1 55 ILE MG . . 3.800 2.403 2.117 2.683 . 0 0 "[ . 1 . 2]" 2
80 1 31 CYS HB3 1 32 SER H . . 4.730 3.603 3.459 3.735 . 0 0 "[ . 1 . 2]" 2
81 1 31 CYS HB2 1 32 SER H . . 4.220 3.811 3.711 3.920 . 0 0 "[ . 1 . 2]" 2
82 1 79 GLY H 1 80 PRO HA . . 4.370 4.265 4.137 4.374 0.004 19 0 "[ . 1 . 2]" 2
83 1 56 HIS HA 1 57 LYS H . . 3.560 2.287 2.228 2.328 . 0 0 "[ . 1 . 2]" 2
84 1 45 GLY HA2 1 57 LYS H . . 4.190 2.860 2.538 3.249 . 0 0 "[ . 1 . 2]" 2
85 1 56 HIS HB3 1 57 LYS H . . 4.140 2.736 2.617 2.922 . 0 0 "[ . 1 . 2]" 2
86 1 19 GLU H 1 20 PHE QD . . 4.600 4.389 4.305 4.498 . 0 0 "[ . 1 . 2]" 2
87 1 19 GLU H 1 48 CYS HA . . 4.160 3.821 3.621 3.985 . 0 0 "[ . 1 . 2]" 2
88 1 18 HIS HB2 1 19 GLU H . . 3.720 3.484 3.396 3.643 . 0 0 "[ . 1 . 2]" 2
89 1 18 HIS HB3 1 19 GLU H . . 2.990 2.015 1.929 2.214 . 0 0 "[ . 1 . 2]" 2
90 1 19 GLU H 1 19 GLU HB2 . . 3.990 2.577 2.465 2.676 . 0 0 "[ . 1 . 2]" 2
91 1 19 GLU H 1 19 GLU HB3 . . 3.990 3.695 3.612 3.799 . 0 0 "[ . 1 . 2]" 2
92 1 19 GLU H 1 67 CYS HB2 . . 4.680 4.411 4.268 4.541 . 0 0 "[ . 1 . 2]" 2
93 1 15 ILE H 1 20 PHE QD . . 4.340 3.515 3.297 3.614 . 0 0 "[ . 1 . 2]" 2
94 1 14 TYR HA 1 15 ILE H . . 3.180 2.641 2.578 2.691 . 0 0 "[ . 1 . 2]" 2
95 1 15 ILE H 1 19 GLU HA . . 5.440 4.653 4.501 4.829 . 0 0 "[ . 1 . 2]" 2
96 1 14 TYR HB2 1 15 ILE H . . 4.510 4.369 4.315 4.462 . 0 0 "[ . 1 . 2]" 2
97 1 15 ILE H 1 15 ILE HB . . 3.510 2.248 2.228 2.284 . 0 0 "[ . 1 . 2]" 2
98 1 15 ILE H 1 15 ILE HG13 . . 4.290 3.769 3.733 3.809 . 0 0 "[ . 1 . 2]" 2
99 1 15 ILE H 1 15 ILE HG12 . . 4.360 4.402 4.374 4.454 0.094 19 0 "[ . 1 . 2]" 2
100 1 33 VAL H 1 34 CYS H . . 3.060 2.888 2.390 3.026 . 0 0 "[ . 1 . 2]" 2
101 1 33 VAL H 1 35 LYS H . . 4.120 3.514 2.855 3.805 . 0 0 "[ . 1 . 2]" 2
102 1 33 VAL H 1 55 ILE HA . . 4.560 4.071 3.872 4.282 . 0 0 "[ . 1 . 2]" 2
103 1 31 CYS HA 1 33 VAL H . . 4.510 4.281 3.945 4.415 . 0 0 "[ . 1 . 2]" 2
104 1 31 CYS HB3 1 33 VAL H . . 4.590 4.214 3.247 4.583 . 0 0 "[ . 1 . 2]" 2
105 1 33 VAL H 1 59 CYS HB3 . . 4.350 4.042 3.882 4.290 . 0 0 "[ . 1 . 2]" 2
106 1 33 VAL H 1 33 VAL HB . . 3.050 2.414 2.339 2.489 . 0 0 "[ . 1 . 2]" 2
107 1 33 VAL H 1 33 VAL MG2 . . 3.080 2.400 2.136 2.768 . 0 0 "[ . 1 . 2]" 2
108 1 33 VAL H 1 55 ILE MG . . 3.780 2.751 2.452 3.175 . 0 0 "[ . 1 . 2]" 2
109 1 72 ALA H 1 72 ALA MB . . 3.540 2.464 2.037 2.922 . 0 0 "[ . 1 . 2]" 2
110 1 16 LYS H 1 17 ASN H . . 3.920 2.853 2.813 2.923 . 0 0 "[ . 1 . 2]" 2
111 1 15 ILE H 1 17 ASN H . . 4.690 4.361 4.219 4.539 . 0 0 "[ . 1 . 2]" 2
112 1 15 ILE HA 1 17 ASN H . . 4.570 3.445 3.395 3.514 . 0 0 "[ . 1 . 2]" 2
113 1 17 ASN H 1 17 ASN HA . . 2.850 2.281 2.274 2.286 . 0 0 "[ . 1 . 2]" 2
114 1 16 LYS HA 1 17 ASN H . . 3.370 2.945 2.872 2.987 . 0 0 "[ . 1 . 2]" 2
115 1 16 LYS HB3 1 17 ASN H . . 4.530 4.444 4.421 4.470 . 0 0 "[ . 1 . 2]" 2
116 1 16 LYS HB2 1 17 ASN H . . 4.640 4.068 4.012 4.154 . 0 0 "[ . 1 . 2]" 2
117 1 10 ALA HA 1 11 LYS H . . 3.400 2.461 2.146 2.646 . 0 0 "[ . 1 . 2]" 2
118 1 11 LYS H 1 11 LYS QB . . 3.580 2.929 2.279 3.206 . 0 0 "[ . 1 . 2]" 2
119 1 10 ALA MB 1 11 LYS H . . 4.280 2.412 1.949 3.362 . 0 0 "[ . 1 . 2]" 2
120 1 65 GLY HA2 1 66 ARG H . . 3.370 2.808 2.463 3.126 . 0 0 "[ . 1 . 2]" 2
121 1 65 GLY HA3 1 66 ARG H . . 3.370 2.362 2.162 2.669 . 0 0 "[ . 1 . 2]" 2
122 1 66 ARG H 1 66 ARG QB . . 3.230 2.626 2.393 3.164 . 0 0 "[ . 1 . 2]" 2
123 1 66 ARG H 1 66 ARG HG2 . . 4.240 4.176 3.778 4.245 0.005 19 0 "[ . 1 . 2]" 2
124 1 20 PHE H 1 20 PHE QD . . 3.630 2.962 2.831 3.056 . 0 0 "[ . 1 . 2]" 2
125 1 20 PHE H 1 48 CYS HA . . 4.560 3.712 3.481 3.857 . 0 0 "[ . 1 . 2]" 2
126 1 19 GLU HA 1 20 PHE H . . 3.210 2.930 2.868 2.999 . 0 0 "[ . 1 . 2]" 2
127 1 20 PHE H 1 20 PHE HB2 . . 3.130 2.622 2.581 2.708 . 0 0 "[ . 1 . 2]" 2
128 1 13 HIS HB2 1 20 PHE H . . 3.880 3.717 3.588 3.881 0.001 1 0 "[ . 1 . 2]" 2
129 1 20 PHE H 1 20 PHE HB3 . . 3.740 3.605 3.595 3.617 . 0 0 "[ . 1 . 2]" 2
130 1 19 GLU HB2 1 20 PHE H . . 4.630 4.130 4.043 4.204 . 0 0 "[ . 1 . 2]" 2
131 1 19 GLU HB3 1 20 PHE H . . 4.630 4.348 4.287 4.441 . 0 0 "[ . 1 . 2]" 2
132 1 15 ILE H 1 18 HIS H . . 3.980 3.254 3.103 3.374 . 0 0 "[ . 1 . 2]" 2
133 1 18 HIS H 1 20 PHE QD . . 4.950 4.921 4.816 4.963 0.013 13 0 "[ . 1 . 2]" 2
134 1 14 TYR HA 1 18 HIS H . . 4.840 3.366 3.337 3.433 . 0 0 "[ . 1 . 2]" 2
135 1 16 LYS HA 1 18 HIS H . . 4.730 4.763 4.712 4.785 0.055 9 0 "[ . 1 . 2]" 2
136 1 18 HIS H 1 18 HIS HB2 . . 3.080 2.420 2.382 2.481 . 0 0 "[ . 1 . 2]" 2
137 1 17 ASN QB 1 18 HIS H . . 4.070 3.847 3.830 3.861 . 0 0 "[ . 1 . 2]" 2
138 1 18 HIS H 1 18 HIS HB3 . . 3.730 3.616 3.575 3.659 . 0 0 "[ . 1 . 2]" 2
139 1 16 LYS HB2 1 18 HIS H . . 4.420 4.109 4.012 4.233 . 0 0 "[ . 1 . 2]" 2
140 1 18 HIS H 1 67 CYS HB2 . . 4.320 4.075 3.939 4.190 . 0 0 "[ . 1 . 2]" 2
141 1 15 ILE MG 1 18 HIS H . . 4.570 4.080 4.046 4.125 . 0 0 "[ . 1 . 2]" 2
142 1 22 ALA HA 1 47 LYS H . . 4.430 4.090 3.937 4.232 . 0 0 "[ . 1 . 2]" 2
143 1 46 TYR HB3 1 47 LYS H . . 3.560 2.882 2.739 3.008 . 0 0 "[ . 1 . 2]" 2
144 1 47 LYS H 1 47 LYS HG2 . . 4.520 4.361 4.185 4.512 . 0 0 "[ . 1 . 2]" 2
145 1 46 TYR HB2 1 47 LYS H . . 4.140 4.001 3.912 4.099 . 0 0 "[ . 1 . 2]" 2
146 1 46 TYR QD 1 47 LYS H . . 4.190 3.588 3.513 3.663 . 0 0 "[ . 1 . 2]" 2
147 1 46 TYR HA 1 47 LYS H . . 2.910 2.236 2.202 2.281 . 0 0 "[ . 1 . 2]" 2
148 1 47 LYS H 1 47 LYS HB2 . . 3.550 3.456 3.373 3.543 . 0 0 "[ . 1 . 2]" 2
149 1 47 LYS H 1 47 LYS HB3 . . 3.780 2.766 2.727 2.811 . 0 0 "[ . 1 . 2]" 2
150 1 20 PHE QD 1 47 LYS H . . 4.270 3.851 3.641 4.099 . 0 0 "[ . 1 . 2]" 2
151 1 20 PHE QD 1 21 ILE H . . 4.320 4.020 3.785 4.137 . 0 0 "[ . 1 . 2]" 2
152 1 21 ILE H 1 48 CYS HA . . 3.820 2.912 2.780 3.084 . 0 0 "[ . 1 . 2]" 2
153 1 20 PHE HB3 1 21 ILE H . . 3.990 3.636 3.347 3.747 . 0 0 "[ . 1 . 2]" 2
154 1 21 ILE H 1 21 ILE HB . . 3.430 2.421 2.363 2.529 . 0 0 "[ . 1 . 2]" 2
155 1 21 ILE H 1 21 ILE HG12 . . 4.200 4.091 3.986 4.196 . 0 0 "[ . 1 . 2]" 2
156 1 21 ILE H 1 21 ILE HG13 . . 3.760 3.181 3.062 3.315 . 0 0 "[ . 1 . 2]" 2
157 1 18 HIS HE1 1 68 THR H . . 3.980 3.550 3.361 3.907 . 0 0 "[ . 1 . 2]" 2
158 1 68 THR H 1 69 GLY HA2 . . 5.500 4.816 4.499 5.051 . 0 0 "[ . 1 . 2]" 2
159 1 68 THR H 1 69 GLY HA3 . . 5.500 4.477 4.182 5.112 . 0 0 "[ . 1 . 2]" 2
160 1 67 CYS HA 1 68 THR H . . 2.840 2.215 2.156 2.313 . 0 0 "[ . 1 . 2]" 2
161 1 68 THR H 1 68 THR MG . . 3.380 2.243 1.878 3.133 . 0 0 "[ . 1 . 2]" 2
162 1 31 CYS HB2 1 36 ASP H . . 4.660 2.941 2.307 3.256 . 0 0 "[ . 1 . 2]" 2
163 1 31 CYS HB3 1 36 ASP H . . 4.060 1.903 1.887 1.975 . 0 0 "[ . 1 . 2]" 2
164 1 59 CYS HB3 1 60 ILE H . . 4.610 3.835 3.720 3.969 . 0 0 "[ . 1 . 2]" 2
165 1 59 CYS HB2 1 60 ILE H . . 4.140 3.275 3.162 3.384 . 0 0 "[ . 1 . 2]" 2
166 1 60 ILE H 1 60 ILE HB . . 2.990 2.254 2.230 2.279 . 0 0 "[ . 1 . 2]" 2
167 1 60 ILE H 1 60 ILE HG13 . . 4.400 4.143 4.103 4.181 . 0 0 "[ . 1 . 2]" 2
168 1 21 ILE H 1 46 TYR HA . . 4.990 4.773 4.477 5.002 0.012 18 0 "[ . 1 . 2]" 2
169 1 20 PHE HB2 1 21 ILE H . . 4.480 4.376 4.265 4.443 . 0 0 "[ . 1 . 2]" 2
170 1 35 LYS H 1 36 ASP H . . 3.850 2.719 2.594 2.936 . 0 0 "[ . 1 . 2]" 2
171 1 60 ILE H 1 61 ASP H . . 3.640 2.695 2.605 2.769 . 0 0 "[ . 1 . 2]" 2
172 1 57 LYS HA 1 60 ILE H . . 4.540 3.968 3.896 4.065 . 0 0 "[ . 1 . 2]" 2
173 1 61 ASP HA 1 63 ILE H . . 4.620 4.225 3.591 4.524 . 0 0 "[ . 1 . 2]" 2
174 1 62 LYS HB2 1 63 ILE H . . 4.190 2.941 2.626 3.790 . 0 0 "[ . 1 . 2]" 2
175 1 63 ILE H 1 63 ILE HG13 . . 3.640 2.095 1.925 2.476 . 0 0 "[ . 1 . 2]" 2
176 1 63 ILE H 1 63 ILE HG12 . . 3.800 3.367 3.117 3.769 . 0 0 "[ . 1 . 2]" 2
177 1 33 VAL MG1 1 63 ILE H . . 4.080 3.757 3.573 4.093 0.013 2 0 "[ . 1 . 2]" 2
178 1 33 VAL MG2 1 63 ILE H . . 4.250 3.104 2.736 3.803 . 0 0 "[ . 1 . 2]" 2
179 1 60 ILE HA 1 63 ILE H . . 4.720 3.607 3.473 3.925 . 0 0 "[ . 1 . 2]" 2
180 1 56 HIS H 1 56 HIS HB2 . . 3.740 2.435 2.376 2.502 . 0 0 "[ . 1 . 2]" 2
181 1 31 CYS HB2 1 56 HIS H . . 4.660 4.268 3.877 4.621 . 0 0 "[ . 1 . 2]" 2
182 1 55 ILE HG13 1 56 HIS H . . 4.310 3.041 2.867 3.370 . 0 0 "[ . 1 . 2]" 2
183 1 55 ILE MD 1 56 HIS H . . 4.720 3.683 3.579 4.005 . 0 0 "[ . 1 . 2]" 2
184 1 22 ALA H 1 46 TYR QD . . 4.270 3.686 3.421 3.900 . 0 0 "[ . 1 . 2]" 2
185 1 21 ILE HA 1 22 ALA H . . 3.220 2.150 2.143 2.167 . 0 0 "[ . 1 . 2]" 2
186 1 21 ILE HB 1 22 ALA H . . 4.320 4.333 4.282 4.374 0.054 11 0 "[ . 1 . 2]" 2
187 1 45 GLY HA2 1 46 TYR H . . 3.530 3.001 2.669 3.244 . 0 0 "[ . 1 . 2]" 2
188 1 45 GLY HA3 1 46 TYR H . . 3.350 2.227 2.136 2.461 . 0 0 "[ . 1 . 2]" 2
189 1 46 TYR H 1 55 ILE HG12 . . 4.370 4.209 3.952 4.370 . 0 0 "[ . 1 . 2]" 2
190 1 46 TYR H 1 55 ILE HG13 . . 4.270 3.815 3.482 4.094 . 0 0 "[ . 1 . 2]" 2
191 1 23 THR H 1 46 TYR QD . . 4.240 3.597 3.440 3.770 . 0 0 "[ . 1 . 2]" 2
192 1 23 THR H 1 46 TYR HA . . 3.490 3.153 3.033 3.274 . 0 0 "[ . 1 . 2]" 2
193 1 22 ALA HA 1 23 THR H . . 2.710 2.144 2.140 2.151 . 0 0 "[ . 1 . 2]" 2
194 1 23 THR H 1 44 GLN QG . . 5.040 3.731 2.600 4.392 . 0 0 "[ . 1 . 2]" 2
195 1 22 ALA MB 1 23 THR H . . 3.660 3.217 3.146 3.331 . 0 0 "[ . 1 . 2]" 2
196 1 23 THR H 1 47 LYS H . . 4.470 4.108 3.930 4.233 . 0 0 "[ . 1 . 2]" 2
197 1 48 CYS HB3 1 50 GLN H . . 4.340 3.193 3.077 3.357 . 0 0 "[ . 1 . 2]" 2
198 1 49 ARG HG3 1 50 GLN H . . 4.290 3.315 3.069 3.483 . 0 0 "[ . 1 . 2]" 2
199 1 48 CYS HA 1 50 GLN H . . 3.770 3.458 3.340 3.538 . 0 0 "[ . 1 . 2]" 2
200 1 50 GLN H 1 50 GLN HG3 . . 3.850 3.548 2.568 3.838 . 0 0 "[ . 1 . 2]" 2
201 1 50 GLN H 1 50 GLN HG2 . . 3.850 2.835 2.567 3.386 . 0 0 "[ . 1 . 2]" 2
202 1 50 GLN H 1 50 GLN HB2 . . 3.190 2.588 2.505 2.761 . 0 0 "[ . 1 . 2]" 2
203 1 50 GLN H 1 50 GLN HB3 . . 3.690 3.721 3.668 3.765 0.075 3 0 "[ . 1 . 2]" 2
204 1 56 HIS H 1 59 CYS H . . 4.270 3.596 3.507 3.695 . 0 0 "[ . 1 . 2]" 2
205 1 59 CYS H 1 60 ILE H . . 2.980 2.568 2.497 2.627 . 0 0 "[ . 1 . 2]" 2
206 1 56 HIS HB2 1 59 CYS H . . 3.180 2.282 2.192 2.392 . 0 0 "[ . 1 . 2]" 2
207 1 59 CYS H 1 59 CYS HB3 . . 3.540 3.519 3.488 3.549 0.009 15 0 "[ . 1 . 2]" 2
208 1 59 CYS H 1 59 CYS HB2 . . 3.110 2.229 2.177 2.289 . 0 0 "[ . 1 . 2]" 2
209 1 58 LYS HG3 1 59 CYS H . . 3.780 2.553 2.079 2.913 . 0 0 "[ . 1 . 2]" 2
210 1 58 LYS HG2 1 59 CYS H . . 3.830 2.833 2.407 3.799 . 0 0 "[ . 1 . 2]" 2
211 1 55 ILE MD 1 59 CYS H . . 4.760 4.027 3.839 4.511 . 0 0 "[ . 1 . 2]" 2
212 1 58 LYS H 1 59 CYS H . . 3.940 2.230 2.161 2.293 . 0 0 "[ . 1 . 2]" 2
213 1 57 LYS HA 1 59 CYS H . . 4.480 4.368 4.228 4.489 0.009 19 0 "[ . 1 . 2]" 2
214 1 59 CYS H 1 60 ILE HA . . 5.230 5.085 5.036 5.137 . 0 0 "[ . 1 . 2]" 2
215 1 58 LYS QB 1 59 CYS H . . 4.040 3.558 3.501 3.624 . 0 0 "[ . 1 . 2]" 2
216 1 62 LYS H 1 63 ILE H . . 3.080 2.118 1.995 2.269 . 0 0 "[ . 1 . 2]" 2
217 1 61 ASP HB3 1 62 LYS H . . 4.460 4.093 3.558 4.509 0.049 10 0 "[ . 1 . 2]" 2
218 1 62 LYS H 1 62 LYS HB2 . . 3.610 2.519 2.411 2.589 . 0 0 "[ . 1 . 2]" 2
219 1 62 LYS H 1 62 LYS HB3 . . 3.730 3.689 3.637 3.736 0.006 10 0 "[ . 1 . 2]" 2
220 1 62 LYS H 1 62 LYS HG2 . . 3.830 2.716 2.527 2.884 . 0 0 "[ . 1 . 2]" 2
221 1 33 VAL MG2 1 62 LYS H . . 4.710 4.022 3.741 4.241 . 0 0 "[ . 1 . 2]" 2
222 1 60 ILE MG 1 62 LYS H . . 4.650 3.921 3.853 4.021 . 0 0 "[ . 1 . 2]" 2
223 1 34 CYS H 1 35 LYS HA . . 4.590 4.524 4.333 4.597 0.007 13 0 "[ . 1 . 2]" 2
224 1 34 CYS H 1 34 CYS HB2 . . 3.730 3.648 3.630 3.701 . 0 0 "[ . 1 . 2]" 2
225 1 34 CYS H 1 59 CYS HB3 . . 4.490 3.868 3.678 4.269 . 0 0 "[ . 1 . 2]" 2
226 1 33 VAL HB 1 34 CYS H . . 3.070 2.102 2.025 2.295 . 0 0 "[ . 1 . 2]" 2
227 1 33 VAL MG1 1 34 CYS H . . 3.400 2.591 2.417 2.834 . 0 0 "[ . 1 . 2]" 2
228 1 47 LYS H 1 48 CYS H . . 4.280 4.120 4.004 4.222 . 0 0 "[ . 1 . 2]" 2
229 1 20 PHE QD 1 48 CYS H . . 3.540 2.534 2.341 2.741 . 0 0 "[ . 1 . 2]" 2
230 1 47 LYS HA 1 48 CYS H . . 2.910 2.145 2.140 2.163 . 0 0 "[ . 1 . 2]" 2
231 1 48 CYS H 1 54 ALA HA . . 4.020 3.741 3.619 3.879 . 0 0 "[ . 1 . 2]" 2
232 1 48 CYS H 1 48 CYS HB3 . . 3.240 2.647 2.547 2.698 . 0 0 "[ . 1 . 2]" 2
233 1 48 CYS H 1 48 CYS HB2 . . 3.350 2.454 2.381 2.538 . 0 0 "[ . 1 . 2]" 2
234 1 47 LYS HB2 1 48 CYS H . . 4.460 4.177 3.992 4.273 . 0 0 "[ . 1 . 2]" 2
235 1 47 LYS HB3 1 48 CYS H . . 4.520 4.356 4.272 4.439 . 0 0 "[ . 1 . 2]" 2
236 1 47 LYS HG3 1 48 CYS H . . 3.680 2.948 2.633 3.221 . 0 0 "[ . 1 . 2]" 2
237 1 48 CYS H 1 52 ASN H . . 4.670 4.400 4.161 4.630 . 0 0 "[ . 1 . 2]" 2
238 1 25 PHE HB3 1 27 GLN H . . 3.860 3.226 2.949 3.509 . 0 0 "[ . 1 . 2]" 2
239 1 25 PHE HB2 1 27 GLN H . . 4.340 3.756 3.000 4.236 . 0 0 "[ . 1 . 2]" 2
240 1 27 GLN H 1 27 GLN HG2 . . 4.410 2.950 1.901 4.443 0.033 15 0 "[ . 1 . 2]" 2
241 1 27 GLN H 1 27 GLN HB3 . . 3.830 3.181 2.490 3.726 . 0 0 "[ . 1 . 2]" 2
242 1 27 GLN H 1 27 GLN HB2 . . 3.830 3.279 2.305 3.852 0.022 8 0 "[ . 1 . 2]" 2
243 1 50 GLN H 1 51 CYS H . . 2.910 2.355 2.212 2.573 . 0 0 "[ . 1 . 2]" 2
244 1 51 CYS H 1 53 ALA H . . 4.050 3.955 3.677 4.063 0.013 19 0 "[ . 1 . 2]" 2
245 1 51 CYS H 1 51 CYS HB3 . . 3.900 2.921 2.820 3.018 . 0 0 "[ . 1 . 2]" 2
246 1 48 CYS HB3 1 51 CYS H . . 3.620 2.787 2.701 2.897 . 0 0 "[ . 1 . 2]" 2
247 1 51 CYS H 1 51 CYS HB2 . . 3.900 3.661 3.601 3.707 . 0 0 "[ . 1 . 2]" 2
248 1 50 GLN HG3 1 51 CYS H . . 4.500 4.317 3.697 4.486 . 0 0 "[ . 1 . 2]" 2
249 1 50 GLN HG2 1 51 CYS H . . 4.500 4.256 4.065 4.547 0.047 19 0 "[ . 1 . 2]" 2
250 1 50 GLN HB2 1 51 CYS H . . 3.300 2.195 1.977 2.335 . 0 0 "[ . 1 . 2]" 2
251 1 50 GLN HB3 1 51 CYS H . . 3.640 3.341 3.087 3.532 . 0 0 "[ . 1 . 2]" 2
252 1 52 ASN H 1 52 ASN HA . . 2.730 2.277 2.274 2.283 . 0 0 "[ . 1 . 2]" 2
253 1 51 CYS HB3 1 52 ASN H . . 4.460 4.301 4.231 4.358 . 0 0 "[ . 1 . 2]" 2
254 1 48 CYS HB3 1 52 ASN H . . 3.390 2.606 2.359 2.878 . 0 0 "[ . 1 . 2]" 2
255 1 51 CYS HB2 1 52 ASN H . . 4.460 4.147 4.061 4.292 . 0 0 "[ . 1 . 2]" 2
256 1 48 CYS HB2 1 52 ASN H . . 4.590 4.346 4.115 4.597 0.007 12 0 "[ . 1 . 2]" 2
257 1 47 LYS HG3 1 52 ASN H . . 4.900 4.854 4.683 4.950 0.050 20 0 "[ . 1 . 2]" 2
258 1 47 LYS HG2 1 52 ASN H . . 5.290 5.252 5.163 5.301 0.011 19 0 "[ . 1 . 2]" 2
259 1 50 GLN H 1 52 ASN H . . 3.930 2.799 2.718 2.961 . 0 0 "[ . 1 . 2]" 2
260 1 34 CYS H 1 35 LYS H . . 3.080 2.273 2.129 2.341 . 0 0 "[ . 1 . 2]" 2
261 1 35 LYS H 1 35 LYS HA . . 2.920 2.277 2.273 2.283 . 0 0 "[ . 1 . 2]" 2
262 1 31 CYS HB3 1 35 LYS H . . 3.720 2.040 1.898 2.375 . 0 0 "[ . 1 . 2]" 2
263 1 34 CYS HB3 1 35 LYS H . . 4.570 3.969 3.870 4.270 . 0 0 "[ . 1 . 2]" 2
264 1 35 LYS H 1 35 LYS HB2 . . 4.200 3.594 3.327 3.752 . 0 0 "[ . 1 . 2]" 2
265 1 33 VAL HB 1 35 LYS H . . 4.870 4.095 3.999 4.221 . 0 0 "[ . 1 . 2]" 2
266 1 35 LYS H 1 35 LYS HB3 . . 4.200 4.067 4.035 4.105 . 0 0 "[ . 1 . 2]" 2
267 1 35 LYS H 1 35 LYS HG2 . . 4.440 3.669 2.690 4.443 0.003 12 0 "[ . 1 . 2]" 2
268 1 33 VAL MG1 1 35 LYS H . . 4.730 4.455 4.361 4.611 . 0 0 "[ . 1 . 2]" 2
269 1 60 ILE HB 1 61 ASP H . . 4.230 3.643 3.572 3.761 . 0 0 "[ . 1 . 2]" 2
270 1 48 CYS HB3 1 49 ARG H . . 4.370 4.189 4.126 4.269 . 0 0 "[ . 1 . 2]" 2
271 1 49 ARG H 1 49 ARG HG2 . . 3.310 2.179 2.014 2.289 . 0 0 "[ . 1 . 2]" 2
272 1 20 PHE QD 1 49 ARG H . . 5.290 5.211 5.024 5.304 0.014 13 0 "[ . 1 . 2]" 2
273 1 48 CYS HA 1 49 ARG H . . 2.810 2.140 2.139 2.146 . 0 0 "[ . 1 . 2]" 2
274 1 49 ARG H 1 49 ARG HB2 . . 3.750 3.579 3.522 3.606 . 0 0 "[ . 1 . 2]" 2
275 1 49 ARG H 1 49 ARG HG3 . . 3.610 2.415 2.216 2.559 . 0 0 "[ . 1 . 2]" 2
276 1 15 ILE H 1 15 ILE MD . . 4.630 2.623 2.544 2.702 . 0 0 "[ . 1 . 2]" 2
277 1 21 ILE H 1 49 ARG H . . 3.930 3.480 3.273 3.932 0.002 8 0 "[ . 1 . 2]" 2
278 1 22 ALA H 1 23 THR H . . 4.860 4.506 4.439 4.541 . 0 0 "[ . 1 . 2]" 2
279 1 30 PHE QD 1 31 CYS H . . 4.870 3.471 2.268 4.041 . 0 0 "[ . 1 . 2]" 2
280 1 31 CYS H 1 56 HIS HE1 . . 4.780 3.965 3.559 4.306 . 0 0 "[ . 1 . 2]" 2
281 1 32 SER H 1 34 CYS H . . 4.760 4.244 4.033 4.363 . 0 0 "[ . 1 . 2]" 2
282 1 32 SER H 1 33 VAL H . . 3.520 2.117 2.006 2.199 . 0 0 "[ . 1 . 2]" 2
283 1 38 VAL MG1 1 45 GLY H . . 4.850 4.459 4.144 4.859 0.009 19 0 "[ . 1 . 2]" 2
284 1 21 ILE H 1 47 LYS H . . 3.370 3.016 2.677 3.225 . 0 0 "[ . 1 . 2]" 2
285 1 19 GLU H 1 49 ARG H . . 5.050 4.747 4.488 4.952 . 0 0 "[ . 1 . 2]" 2
286 1 48 CYS H 1 49 ARG H . . 4.610 4.472 4.412 4.512 . 0 0 "[ . 1 . 2]" 2
287 1 19 GLU H 1 50 GLN H . . 4.920 4.749 4.500 4.922 0.002 3 0 "[ . 1 . 2]" 2
288 1 50 GLN H 1 53 ALA H . . 5.330 4.582 4.481 4.708 . 0 0 "[ . 1 . 2]" 2
289 1 51 CYS H 1 52 ASN H . . 2.950 2.181 2.043 2.376 . 0 0 "[ . 1 . 2]" 2
290 1 51 CYS H 1 53 ALA MB . . 4.730 4.457 4.361 4.587 . 0 0 "[ . 1 . 2]" 2
291 1 20 PHE QD 1 53 ALA H . . 5.400 4.593 4.378 4.763 . 0 0 "[ . 1 . 2]" 2
292 1 20 PHE QE 1 53 ALA H . . 5.500 4.040 3.868 4.199 . 0 0 "[ . 1 . 2]" 2
293 1 54 ALA H 1 55 ILE H . . 4.660 4.484 4.426 4.559 . 0 0 "[ . 1 . 2]" 2
294 1 55 ILE HG13 1 59 CYS H . . 4.780 4.465 4.223 4.774 . 0 0 "[ . 1 . 2]" 2
295 1 33 VAL MG2 1 59 CYS H . . 5.500 5.093 4.877 5.280 . 0 0 "[ . 1 . 2]" 2
296 1 56 HIS HA 1 59 CYS H . . 4.710 4.222 4.153 4.287 . 0 0 "[ . 1 . 2]" 2
297 1 66 ARG H 1 66 ARG QD . . 4.710 4.183 2.269 4.735 0.025 20 0 "[ . 1 . 2]" 2
298 1 67 CYS H 1 68 THR H . . 4.790 4.574 4.518 4.613 . 0 0 "[ . 1 . 2]" 2
299 1 12 ILE H 1 21 ILE HG12 . . 5.360 4.537 4.244 4.686 . 0 0 "[ . 1 . 2]" 2
300 1 11 LYS H 1 11 LYS QG . . 4.850 2.984 2.263 3.992 . 0 0 "[ . 1 . 2]" 2
301 1 12 ILE H 1 13 HIS H . . 4.680 4.483 4.459 4.521 . 0 0 "[ . 1 . 2]" 2
302 1 13 HIS HD2 1 14 TYR H . . 5.500 5.483 5.372 5.513 0.013 5 0 "[ . 1 . 2]" 2
303 1 14 TYR H 1 15 ILE H . . 4.610 3.467 3.397 3.566 . 0 0 "[ . 1 . 2]" 2
304 1 15 ILE HG13 1 17 ASN H . . 5.500 5.496 5.446 5.551 0.051 3 0 "[ . 1 . 2]" 2
305 1 26 GLY H 1 27 GLN H . . 4.420 2.852 2.258 3.319 . 0 0 "[ . 1 . 2]" 2
306 1 31 CYS H 1 35 LYS H . . 4.990 4.247 4.025 4.428 . 0 0 "[ . 1 . 2]" 2
307 1 30 PHE HA 1 31 CYS H . . 3.150 2.184 2.139 2.368 . 0 0 "[ . 1 . 2]" 2
308 1 32 SER HA 1 35 LYS H . . 4.630 4.356 4.110 4.540 . 0 0 "[ . 1 . 2]" 2
309 1 44 GLN H 1 45 GLY H . . 4.830 4.572 4.372 4.653 . 0 0 "[ . 1 . 2]" 2
310 1 46 TYR H 1 55 ILE MD . . 5.260 5.083 4.878 5.272 0.012 18 0 "[ . 1 . 2]" 2
311 1 25 PHE QE 1 46 TYR H . . 4.610 2.812 2.247 3.476 . 0 0 "[ . 1 . 2]" 2
312 1 25 PHE HZ 1 46 TYR H . . 4.750 3.337 2.995 3.901 . 0 0 "[ . 1 . 2]" 2
313 1 52 ASN H 1 52 ASN HB2 . . 3.910 3.806 3.761 3.847 . 0 0 "[ . 1 . 2]" 2
314 1 52 ASN HB3 1 52 ASN HD22 . . 3.820 3.621 3.445 3.828 0.008 3 0 "[ . 1 . 2]" 2
315 1 57 LYS H 1 58 LYS H . . 4.760 2.729 2.676 2.803 . 0 0 "[ . 1 . 2]" 2
316 1 57 LYS H 1 59 CYS H . . 4.900 4.062 3.964 4.147 . 0 0 "[ . 1 . 2]" 2
317 1 58 LYS HG3 1 60 ILE H . . 5.360 4.701 4.442 4.970 . 0 0 "[ . 1 . 2]" 2
318 1 60 ILE H 1 63 ILE HG13 . . 5.500 4.659 4.384 4.889 . 0 0 "[ . 1 . 2]" 2
319 1 56 HIS HB2 1 60 ILE H . . 4.720 4.574 4.476 4.722 0.002 12 0 "[ . 1 . 2]" 2
320 1 61 ASP H 1 62 LYS H . . 3.200 2.538 2.410 2.594 . 0 0 "[ . 1 . 2]" 2
321 1 62 LYS H 1 62 LYS QE . . 5.260 5.022 4.406 5.286 0.026 2 0 "[ . 1 . 2]" 2
322 1 63 ILE H 1 64 ILE H . . 4.960 4.613 4.568 4.632 . 0 0 "[ . 1 . 2]" 2
323 1 18 HIS HD2 1 67 CYS H . . 4.270 3.515 2.872 3.786 . 0 0 "[ . 1 . 2]" 2
324 1 50 GLN HB2 1 69 GLY H . . 4.870 4.428 3.967 4.730 . 0 0 "[ . 1 . 2]" 2
325 1 50 GLN HB3 1 69 GLY H . . 4.800 4.194 3.855 4.524 . 0 0 "[ . 1 . 2]" 2
326 1 67 CYS HB2 1 69 GLY H . . 5.500 4.800 4.418 5.265 . 0 0 "[ . 1 . 2]" 2
327 1 69 GLY H 1 70 THR MG . . 5.500 3.854 2.875 5.395 . 0 0 "[ . 1 . 2]" 2
328 1 49 ARG H 1 51 CYS H . . 5.250 4.854 4.738 5.066 . 0 0 "[ . 1 . 2]" 2
329 1 18 HIS HA 1 19 GLU H . . 3.000 2.612 2.512 2.653 . 0 0 "[ . 1 . 2]" 2
330 1 20 PHE HA 1 49 ARG H . . 4.030 3.833 3.694 3.973 . 0 0 "[ . 1 . 2]" 2
331 1 19 GLU H 1 20 PHE H . . 2.440 2.404 2.216 2.491 0.051 13 0 "[ . 1 . 2]" 2
332 1 13 HIS H 1 20 PHE HB3 . . 4.990 4.845 4.708 4.998 0.008 11 0 "[ . 1 . 2]" 2
333 1 25 PHE QE 1 45 GLY HA2 . . 4.750 3.661 3.434 3.930 . 0 0 "[ . 1 . 2]" 2
334 1 38 VAL MG1 1 45 GLY HA2 . . 4.620 4.561 4.333 4.625 0.005 14 0 "[ . 1 . 2]" 2
335 1 45 GLY HA3 1 56 HIS HA . . 4.550 3.322 2.719 3.742 . 0 0 "[ . 1 . 2]" 2
336 1 25 PHE QE 1 45 GLY HA3 . . 4.360 2.287 1.994 2.842 . 0 0 "[ . 1 . 2]" 2
337 1 38 VAL MG1 1 45 GLY HA3 . . 4.400 3.439 3.214 3.645 . 0 0 "[ . 1 . 2]" 2
338 1 45 GLY HA2 1 56 HIS HA . . 4.470 3.514 3.096 3.995 . 0 0 "[ . 1 . 2]" 2
339 1 64 ILE MG 1 65 GLY HA3 . . 4.640 4.126 3.651 4.619 . 0 0 "[ . 1 . 2]" 2
340 1 79 GLY HA2 1 80 PRO QD . . 3.560 2.063 1.900 2.239 . 0 0 "[ . 1 . 2]" 2
341 1 79 GLY HA3 1 80 PRO QD . . 3.560 3.429 3.341 3.472 . 0 0 "[ . 1 . 2]" 2
342 1 63 ILE MD 1 64 ILE H . . 4.880 4.778 4.645 4.883 0.003 17 0 "[ . 1 . 2]" 2
343 1 49 ARG H 1 49 ARG HD2 . . 4.960 4.425 4.267 4.507 . 0 0 "[ . 1 . 2]" 2
344 1 49 ARG HB2 1 49 ARG HD2 . . 3.900 2.660 2.515 2.979 . 0 0 "[ . 1 . 2]" 2
345 1 12 ILE MD 1 49 ARG HD2 . . 4.380 4.124 3.800 4.367 . 0 0 "[ . 1 . 2]" 2
346 1 49 ARG H 1 49 ARG HD3 . . 4.960 4.371 4.181 4.496 . 0 0 "[ . 1 . 2]" 2
347 1 18 HIS HD2 1 63 ILE MD . . 4.130 4.079 3.897 4.136 0.006 20 0 "[ . 1 . 2]" 2
348 1 63 ILE H 1 63 ILE MD . . 3.910 3.548 3.427 3.724 . 0 0 "[ . 1 . 2]" 2
349 1 20 PHE HZ 1 63 ILE MD . . 3.300 1.997 1.906 2.123 . 0 0 "[ . 1 . 2]" 2
350 1 63 ILE HA 1 63 ILE MD . . 3.900 3.814 3.789 3.839 . 0 0 "[ . 1 . 2]" 2
351 1 55 ILE MD 1 63 ILE MD . . 3.250 1.801 1.696 1.876 . 0 0 "[ . 1 . 2]" 2
352 1 33 VAL H 1 55 ILE HB . . 4.630 3.582 3.255 4.098 . 0 0 "[ . 1 . 2]" 2
353 1 55 ILE HB 1 56 HIS H . . 3.630 2.224 2.169 2.338 . 0 0 "[ . 1 . 2]" 2
354 1 55 ILE HB 1 60 ILE H . . 4.820 4.741 4.555 4.831 0.011 2 0 "[ . 1 . 2]" 2
355 1 21 ILE MD 1 49 ARG H . . 4.500 4.061 3.849 4.225 . 0 0 "[ . 1 . 2]" 2
356 1 21 ILE H 1 21 ILE MD . . 4.410 4.227 4.120 4.378 . 0 0 "[ . 1 . 2]" 2
357 1 21 ILE HA 1 21 ILE MD . . 3.950 3.703 3.646 3.761 . 0 0 "[ . 1 . 2]" 2
358 1 12 ILE HA 1 21 ILE MD . . 4.100 3.850 3.736 4.040 . 0 0 "[ . 1 . 2]" 2
359 1 21 ILE HB 1 21 ILE MD . . 3.250 2.459 2.375 2.560 . 0 0 "[ . 1 . 2]" 2
360 1 12 ILE MG 1 21 ILE MD . . 4.110 3.125 2.641 3.457 . 0 0 "[ . 1 . 2]" 2
361 1 55 ILE H 1 55 ILE MD . . 4.490 4.123 3.974 4.216 . 0 0 "[ . 1 . 2]" 2
362 1 55 ILE MD 1 60 ILE H . . 3.780 2.718 2.506 3.185 . 0 0 "[ . 1 . 2]" 2
363 1 55 ILE MD 1 59 CYS HB2 . . 4.430 3.015 2.663 3.482 . 0 0 "[ . 1 . 2]" 2
364 1 46 TYR HB2 1 55 ILE MD . . 4.130 3.396 3.243 3.533 . 0 0 "[ . 1 . 2]" 2
365 1 55 ILE HB 1 55 ILE MD . . 3.450 2.372 2.253 2.458 . 0 0 "[ . 1 . 2]" 2
366 1 33 VAL MG2 1 55 ILE MD . . 3.370 2.530 2.188 2.782 . 0 0 "[ . 1 . 2]" 2
367 1 33 VAL HB 1 55 ILE HB . . 4.890 3.293 2.976 3.558 . 0 0 "[ . 1 . 2]" 2
368 1 66 ARG QB 1 66 ARG QD . . 3.180 2.162 2.023 2.347 . 0 0 "[ . 1 . 2]" 2
369 1 36 ASP QB 1 37 PHE H . . 3.850 3.018 1.907 3.654 . 0 0 "[ . 1 . 2]" 2
370 1 36 ASP H 1 36 ASP QB . . 3.160 2.477 2.253 2.625 . 0 0 "[ . 1 . 2]" 2
371 1 36 ASP QB 1 56 HIS HE1 . . 3.230 2.797 1.982 3.226 . 0 0 "[ . 1 . 2]" 2
372 1 64 ILE H 1 64 ILE MD . . 4.630 3.726 2.151 4.176 . 0 0 "[ . 1 . 2]" 2
373 1 75 ARG HA 1 75 ARG QD . . 4.420 3.324 1.982 4.337 . 0 0 "[ . 1 . 2]" 2
374 1 15 ILE MD 1 16 LYS H . . 4.860 4.748 4.701 4.776 . 0 0 "[ . 1 . 2]" 2
375 1 15 ILE MD 1 20 PHE QD . . 3.800 3.535 3.286 3.638 . 0 0 "[ . 1 . 2]" 2
376 1 15 ILE HA 1 15 ILE MD . . 3.440 3.068 3.037 3.089 . 0 0 "[ . 1 . 2]" 2
377 1 15 ILE HB 1 15 ILE MD . . 3.410 2.247 2.226 2.266 . 0 0 "[ . 1 . 2]" 2
378 1 64 ILE HA 1 64 ILE MD . . 3.940 3.454 1.962 3.883 . 0 0 "[ . 1 . 2]" 2
379 1 64 ILE HB 1 64 ILE MD . . 3.300 2.427 2.116 3.230 . 0 0 "[ . 1 . 2]" 2
380 1 12 ILE MD 1 13 HIS H . . 5.030 4.954 4.870 5.039 0.009 9 0 "[ . 1 . 2]" 2
381 1 46 TYR QD 1 60 ILE MD . . 3.840 2.555 2.292 2.784 . 0 0 "[ . 1 . 2]" 2
382 1 60 ILE HB 1 60 ILE MD . . 3.230 2.375 2.294 2.434 . 0 0 "[ . 1 . 2]" 2
383 1 15 ILE HG12 1 60 ILE MD . . 4.090 3.231 2.856 3.497 . 0 0 "[ . 1 . 2]" 2
384 1 13 HIS HA 1 60 ILE MD . . 5.190 4.967 4.784 5.118 . 0 0 "[ . 1 . 2]" 2
385 1 60 ILE HA 1 60 ILE MD . . 3.840 3.696 3.666 3.720 . 0 0 "[ . 1 . 2]" 2
386 1 46 TYR HB2 1 60 ILE MD . . 4.750 3.680 3.428 4.044 . 0 0 "[ . 1 . 2]" 2
387 1 15 ILE HB 1 60 ILE MD . . 4.860 3.058 2.724 3.333 . 0 0 "[ . 1 . 2]" 2
388 1 12 ILE H 1 12 ILE MD . . 3.990 3.866 3.603 3.990 0.000 11 0 "[ . 1 . 2]" 2
389 1 12 ILE HA 1 12 ILE MD . . 4.030 3.842 3.792 3.895 . 0 0 "[ . 1 . 2]" 2
390 1 12 ILE MD 1 21 ILE HG12 . . 3.720 3.645 3.464 3.724 0.004 6 0 "[ . 1 . 2]" 2
391 1 12 ILE HB 1 12 ILE MD . . 3.030 2.449 2.373 2.538 . 0 0 "[ . 1 . 2]" 2
392 1 12 ILE MD 1 12 ILE MG . . 2.850 1.972 1.890 2.068 . 0 0 "[ . 1 . 2]" 2
393 1 20 PHE QD 1 60 ILE MD . . 3.630 2.698 2.375 3.086 . 0 0 "[ . 1 . 2]" 2
394 1 13 HIS HB3 1 60 ILE MD . . 3.620 2.961 2.760 3.143 . 0 0 "[ . 1 . 2]" 2
395 1 20 PHE HB2 1 60 ILE MD . . 4.100 2.828 2.393 3.145 . 0 0 "[ . 1 . 2]" 2
396 1 16 LYS HA 1 16 LYS QE . . 4.480 3.838 3.519 4.265 . 0 0 "[ . 1 . 2]" 2
397 1 21 ILE H 1 46 TYR HB3 . . 4.830 4.446 4.063 4.801 . 0 0 "[ . 1 . 2]" 2
398 1 20 PHE QD 1 46 TYR HB3 . . 3.950 3.403 3.197 3.746 . 0 0 "[ . 1 . 2]" 2
399 1 46 TYR HB3 1 55 ILE HG12 . . 4.260 3.737 3.580 3.858 . 0 0 "[ . 1 . 2]" 2
400 1 46 TYR HB3 1 55 ILE HG13 . . 4.560 4.278 3.972 4.544 . 0 0 "[ . 1 . 2]" 2
401 1 46 TYR HB3 1 55 ILE MD . . 4.530 4.173 3.972 4.300 . 0 0 "[ . 1 . 2]" 2
402 1 46 TYR H 1 46 TYR HB2 . . 3.940 2.727 2.584 2.837 . 0 0 "[ . 1 . 2]" 2
403 1 46 TYR HB2 1 55 ILE HG13 . . 3.790 2.703 2.396 2.974 . 0 0 "[ . 1 . 2]" 2
404 1 16 LYS HB2 1 16 LYS QE . . 4.480 4.287 4.208 4.416 . 0 0 "[ . 1 . 2]" 2
405 1 16 LYS QE 1 16 LYS HG3 . . 3.320 2.615 2.455 2.739 . 0 0 "[ . 1 . 2]" 2
406 1 59 CYS HA 1 62 LYS QE . . 4.640 4.264 3.875 4.630 . 0 0 "[ . 1 . 2]" 2
407 1 33 VAL MG1 1 62 LYS QE . . 5.280 4.257 3.126 5.013 . 0 0 "[ . 1 . 2]" 2
408 1 47 LYS HE3 1 52 ASN HA . . 4.620 3.251 2.666 4.505 . 0 0 "[ . 1 . 2]" 2
409 1 62 LYS HA 1 62 LYS QE . . 4.540 4.119 3.570 4.409 . 0 0 "[ . 1 . 2]" 2
410 1 47 LYS HE3 1 47 LYS HG3 . . 3.920 2.586 2.142 3.696 . 0 0 "[ . 1 . 2]" 2
411 1 47 LYS HE3 1 47 LYS HG2 . . 3.920 3.130 2.562 3.840 . 0 0 "[ . 1 . 2]" 2
412 1 11 LYS HE2 1 11 LYS QG . . 3.700 2.579 2.088 3.301 . 0 0 "[ . 1 . 2]" 2
413 1 57 LYS QE 1 57 LYS HG2 . . 3.890 2.607 2.124 3.290 . 0 0 "[ . 1 . 2]" 2
414 1 46 TYR QE 1 57 LYS QE . . 5.070 3.853 3.437 4.455 . 0 0 "[ . 1 . 2]" 2
415 1 11 LYS HE3 1 13 HIS HE1 . . 4.970 3.628 2.429 4.845 . 0 0 "[ . 1 . 2]" 2
416 1 58 LYS HE2 1 58 LYS HG2 . . 3.790 2.854 2.085 3.677 . 0 0 "[ . 1 . 2]" 2
417 1 58 LYS QB 1 58 LYS HE2 . . 4.680 3.765 2.314 4.251 . 0 0 "[ . 1 . 2]" 2
418 1 58 LYS QB 1 58 LYS HE3 . . 4.680 3.845 2.338 4.250 . 0 0 "[ . 1 . 2]" 2
419 1 58 LYS HE3 1 58 LYS HG2 . . 3.790 3.019 2.182 3.779 . 0 0 "[ . 1 . 2]" 2
420 1 47 LYS HE2 1 52 ASN HA . . 4.620 3.602 2.796 4.576 . 0 0 "[ . 1 . 2]" 2
421 1 47 LYS HE2 1 47 LYS HG2 . . 3.920 2.977 2.341 3.808 . 0 0 "[ . 1 . 2]" 2
422 1 47 LYS HB2 1 47 LYS HE2 . . 4.730 4.490 3.870 4.658 . 0 0 "[ . 1 . 2]" 2
423 1 47 LYS HB2 1 47 LYS HE3 . . 4.730 4.147 2.418 4.626 . 0 0 "[ . 1 . 2]" 2
424 1 23 THR MG 1 47 LYS HE3 . . 5.210 5.000 3.972 5.255 0.045 20 0 "[ . 1 . 2]" 2
425 1 41 LEU HB3 1 41 LEU MD1 . . 3.380 2.521 2.271 3.175 . 0 0 "[ . 1 . 2]" 2
426 1 23 THR HB 1 47 LYS H . . 4.380 4.246 4.173 4.323 . 0 0 "[ . 1 . 2]" 2
427 1 23 THR H 1 23 THR HB . . 3.470 3.174 3.066 3.266 . 0 0 "[ . 1 . 2]" 2
428 1 23 THR HB 1 47 LYS HB2 . . 5.040 4.655 4.429 5.005 . 0 0 "[ . 1 . 2]" 2
429 1 23 THR HB 1 47 LYS HB3 . . 3.970 3.188 3.018 3.459 . 0 0 "[ . 1 . 2]" 2
430 1 23 THR HB 1 47 LYS HG2 . . 4.900 4.778 4.595 4.902 0.002 9 0 "[ . 1 . 2]" 2
431 1 12 ILE HA 1 21 ILE HB . . 5.100 5.081 4.951 5.119 0.019 7 0 "[ . 1 . 2]" 2
432 1 21 ILE HB 1 49 ARG H . . 4.520 3.697 3.568 3.925 . 0 0 "[ . 1 . 2]" 2
433 1 12 ILE MD 1 21 ILE HB . . 5.500 5.424 5.194 5.515 0.015 19 0 "[ . 1 . 2]" 2
434 1 29 THR H 1 29 THR HB . . 3.830 2.631 2.306 2.773 . 0 0 "[ . 1 . 2]" 2
435 1 29 THR HB 1 38 VAL HB . . 3.850 2.946 2.037 3.876 0.026 10 0 "[ . 1 . 2]" 2
436 1 29 THR HB 1 38 VAL MG2 . . 4.670 3.123 2.137 4.524 . 0 0 "[ . 1 . 2]" 2
437 1 61 ASP HB2 1 62 LYS H . . 4.460 3.822 3.524 4.291 . 0 0 "[ . 1 . 2]" 2
438 1 61 ASP H 1 61 ASP HB2 . . 3.830 2.495 2.252 3.507 . 0 0 "[ . 1 . 2]" 2
439 1 61 ASP H 1 61 ASP HB3 . . 3.830 3.314 2.615 3.636 . 0 0 "[ . 1 . 2]" 2
440 1 15 ILE HB 1 20 PHE QD . . 3.310 2.487 2.292 2.626 . 0 0 "[ . 1 . 2]" 2
441 1 15 ILE HB 1 18 HIS HB2 . . 4.470 3.699 3.581 3.858 . 0 0 "[ . 1 . 2]" 2
442 1 15 ILE HB 1 60 ILE HG12 . . 4.500 3.392 3.193 3.585 . 0 0 "[ . 1 . 2]" 2
443 1 14 TYR HA 1 15 ILE HB . . 5.230 4.881 4.852 4.914 . 0 0 "[ . 1 . 2]" 2
444 1 61 ASP HB2 1 62 LYS HG2 . . 4.950 3.887 3.304 4.876 . 0 0 "[ . 1 . 2]" 2
445 1 20 PHE HB3 1 46 TYR QD . . 4.010 3.753 3.647 3.926 . 0 0 "[ . 1 . 2]" 2
446 1 20 PHE HB3 1 46 TYR HA . . 4.920 4.124 3.934 4.301 . 0 0 "[ . 1 . 2]" 2
447 1 20 PHE HB3 1 60 ILE MD . . 4.400 3.186 2.833 3.715 . 0 0 "[ . 1 . 2]" 2
448 1 61 ASP HB3 1 62 LYS HG2 . . 4.950 4.191 3.354 4.933 . 0 0 "[ . 1 . 2]" 2
449 1 30 PHE H 1 30 PHE QB . . 3.700 2.327 2.225 2.374 . 0 0 "[ . 1 . 2]" 2
450 1 29 THR MG 1 30 PHE QB . . 4.890 3.379 3.249 3.869 . 0 0 "[ . 1 . 2]" 2
451 1 37 PHE HB2 1 39 TRP HD1 . . 4.720 3.345 2.045 4.711 . 0 0 "[ . 1 . 2]" 2
452 1 37 PHE HB2 1 39 TRP HB3 . . 5.500 3.998 3.646 4.361 . 0 0 "[ . 1 . 2]" 2
453 1 37 PHE HB2 1 39 TRP HB2 . . 5.500 5.456 5.203 5.524 0.024 15 0 "[ . 1 . 2]" 2
454 1 64 ILE H 1 64 ILE HB . . 3.640 2.734 2.600 2.846 . 0 0 "[ . 1 . 2]" 2
455 1 64 ILE HB 1 65 GLY H . . 4.550 3.649 2.041 4.503 . 0 0 "[ . 1 . 2]" 2
456 1 24 PHE HB2 1 25 PHE H . . 4.590 4.413 4.205 4.619 0.029 10 0 "[ . 1 . 2]" 2
457 1 24 PHE H 1 24 PHE HB2 . . 4.070 2.672 2.495 2.999 . 0 0 "[ . 1 . 2]" 2
458 1 23 THR HA 1 24 PHE HB2 . . 5.070 4.299 4.197 4.634 . 0 0 "[ . 1 . 2]" 2
459 1 24 PHE HB3 1 25 PHE H . . 4.590 4.181 3.850 4.455 . 0 0 "[ . 1 . 2]" 2
460 1 17 ASN QB 1 67 CYS H . . 3.310 2.485 1.995 2.815 . 0 0 "[ . 1 . 2]" 2
461 1 17 ASN QB 1 67 CYS HB3 . . 3.280 3.252 3.095 3.299 0.019 11 0 "[ . 1 . 2]" 2
462 1 17 ASN QB 1 66 ARG QB . . 3.770 2.826 2.230 3.675 . 0 0 "[ . 1 . 2]" 2
463 1 17 ASN QB 1 66 ARG HG2 . . 3.930 3.203 2.712 3.796 . 0 0 "[ . 1 . 2]" 2
464 1 17 ASN H 1 17 ASN QB . . 3.700 3.112 3.027 3.492 . 0 0 "[ . 1 . 2]" 2
465 1 59 CYS H 1 60 ILE HB . . 4.920 4.514 4.430 4.583 . 0 0 "[ . 1 . 2]" 2
466 1 46 TYR QD 1 60 ILE HB . . 3.870 2.432 2.168 2.738 . 0 0 "[ . 1 . 2]" 2
467 1 55 ILE MD 1 60 ILE HB . . 3.520 2.683 2.414 2.888 . 0 0 "[ . 1 . 2]" 2
468 1 63 ILE HB 1 64 ILE H . . 4.740 3.988 3.889 4.107 . 0 0 "[ . 1 . 2]" 2
469 1 62 LYS H 1 63 ILE HB . . 4.620 4.308 4.183 4.469 . 0 0 "[ . 1 . 2]" 2
470 1 63 ILE H 1 63 ILE HB . . 3.080 2.595 2.387 2.725 . 0 0 "[ . 1 . 2]" 2
471 1 16 LYS QE 1 63 ILE HB . . 4.990 3.689 3.332 4.058 . 0 0 "[ . 1 . 2]" 2
472 1 55 ILE MD 1 63 ILE HB . . 4.430 4.269 4.053 4.456 0.026 10 0 "[ . 1 . 2]" 2
473 1 52 ASN HB3 1 53 ALA H . . 4.740 4.492 4.475 4.538 . 0 0 "[ . 1 . 2]" 2
474 1 47 LYS HG3 1 52 ASN HB3 . . 4.800 4.414 4.276 4.493 . 0 0 "[ . 1 . 2]" 2
475 1 47 LYS HG3 1 52 ASN HB2 . . 5.500 5.466 5.327 5.512 0.012 9 0 "[ . 1 . 2]" 2
476 1 52 ASN HB2 1 53 ALA HA . . 4.800 4.565 4.527 4.589 . 0 0 "[ . 1 . 2]" 2
477 1 13 HIS HA 1 14 TYR HB2 . . 4.700 4.583 4.335 4.701 0.001 19 0 "[ . 1 . 2]" 2
478 1 25 PHE HZ 1 47 LYS HB2 . . 4.210 2.096 1.997 2.327 . 0 0 "[ . 1 . 2]" 2
479 1 47 LYS HB2 1 54 ALA HA . . 4.830 2.847 2.733 2.959 . 0 0 "[ . 1 . 2]" 2
480 1 25 PHE HZ 1 47 LYS HB3 . . 3.800 2.901 2.598 3.118 . 0 0 "[ . 1 . 2]" 2
481 1 19 GLU HA 1 19 GLU HG3 . . 3.700 2.738 2.212 3.246 . 0 0 "[ . 1 . 2]" 2
482 1 12 ILE MG 1 19 GLU HG3 . . 4.120 2.933 1.943 4.000 . 0 0 "[ . 1 . 2]" 2
483 1 19 GLU H 1 19 GLU HG3 . . 4.880 3.983 3.237 4.439 . 0 0 "[ . 1 . 2]" 2
484 1 19 GLU H 1 19 GLU HG2 . . 4.880 4.360 4.010 4.760 . 0 0 "[ . 1 . 2]" 2
485 1 24 PHE QE 1 44 GLN QG . . 5.300 5.118 4.633 5.305 0.005 13 0 "[ . 1 . 2]" 2
486 1 22 ALA MB 1 44 GLN QG . . 4.400 3.518 2.945 4.376 . 0 0 "[ . 1 . 2]" 2
487 1 44 GLN QG 1 45 GLY H . . 3.970 3.163 1.914 3.968 . 0 0 "[ . 1 . 2]" 2
488 1 44 GLN H 1 44 GLN QG . . 4.010 2.904 1.905 4.020 0.010 19 0 "[ . 1 . 2]" 2
489 1 24 PHE QD 1 44 GLN QG . . 4.460 3.771 2.740 4.254 . 0 0 "[ . 1 . 2]" 2
490 1 44 GLN HA 1 44 GLN QG . . 3.480 3.130 2.226 3.485 0.005 15 0 "[ . 1 . 2]" 2
491 1 60 ILE HA 1 62 LYS H . . 4.400 3.635 3.557 3.712 . 0 0 "[ . 1 . 2]" 2
492 1 46 TYR QD 1 60 ILE HA . . 4.830 4.540 4.348 4.763 . 0 0 "[ . 1 . 2]" 2
493 1 60 ILE HA 1 63 ILE HB . . 4.380 3.967 3.812 4.162 . 0 0 "[ . 1 . 2]" 2
494 1 60 ILE HA 1 63 ILE HG13 . . 3.920 2.592 2.136 3.017 . 0 0 "[ . 1 . 2]" 2
495 1 55 ILE HG12 1 60 ILE HA . . 5.120 4.450 4.211 4.717 . 0 0 "[ . 1 . 2]" 2
496 1 60 ILE HA 1 60 ILE HG13 . . 3.100 2.271 2.221 2.319 . 0 0 "[ . 1 . 2]" 2
497 1 60 ILE HA 1 63 ILE MD . . 3.020 2.135 1.964 2.404 . 0 0 "[ . 1 . 2]" 2
498 1 55 ILE HG13 1 60 ILE HA . . 4.280 4.073 3.859 4.200 . 0 0 "[ . 1 . 2]" 2
499 1 55 ILE MD 1 60 ILE HA . . 3.000 1.879 1.797 2.034 . 0 0 "[ . 1 . 2]" 2
500 1 9 GLN HA 1 9 GLN QG . . 3.830 2.795 2.165 3.477 . 0 0 "[ . 1 . 2]" 2
501 1 62 LYS HB3 1 63 ILE H . . 4.530 3.889 3.660 4.396 . 0 0 "[ . 1 . 2]" 2
502 1 59 CYS HA 1 62 LYS HB3 . . 4.210 3.993 3.850 4.181 . 0 0 "[ . 1 . 2]" 2
503 1 62 LYS HB3 1 62 LYS QE . . 4.650 3.426 2.038 4.044 . 0 0 "[ . 1 . 2]" 2
504 1 32 SER HB2 1 33 VAL H . . 4.410 3.997 3.856 4.320 . 0 0 "[ . 1 . 2]" 2
505 1 32 SER HB2 1 54 ALA H . . 4.880 4.620 4.158 4.884 0.004 15 0 "[ . 1 . 2]" 2
506 1 32 SER HB2 1 33 VAL MG2 . . 5.000 4.863 4.690 5.010 0.010 14 0 "[ . 1 . 2]" 2
507 1 32 SER HB2 1 55 ILE MG . . 4.200 3.525 3.057 3.823 . 0 0 "[ . 1 . 2]" 2
508 1 32 SER H 1 32 SER HB3 . . 3.350 2.480 2.396 2.701 . 0 0 "[ . 1 . 2]" 2
509 1 32 SER HB3 1 54 ALA H . . 5.500 5.197 4.876 5.494 . 0 0 "[ . 1 . 2]" 2
510 1 32 SER HB3 1 33 VAL MG2 . . 4.230 3.361 3.171 3.570 . 0 0 "[ . 1 . 2]" 2
511 1 32 SER HB3 1 55 ILE MG . . 3.830 2.481 2.371 2.674 . 0 0 "[ . 1 . 2]" 2
512 1 32 SER HB3 1 33 VAL H . . 4.140 2.749 2.592 3.372 . 0 0 "[ . 1 . 2]" 2
513 1 27 GLN HG2 1 28 PRO HD2 . . 4.810 4.126 2.583 4.821 0.011 13 0 "[ . 1 . 2]" 2
514 1 27 GLN H 1 27 GLN HG3 . . 4.410 3.379 2.010 4.416 0.006 4 0 "[ . 1 . 2]" 2
515 1 11 LYS QB 1 12 ILE H . . 3.900 2.923 2.344 3.839 . 0 0 "[ . 1 . 2]" 2
516 1 50 GLN HA 1 50 GLN HG3 . . 4.110 3.746 3.461 3.858 . 0 0 "[ . 1 . 2]" 2
517 1 50 GLN HA 1 50 GLN HG2 . . 4.110 2.760 2.435 2.904 . 0 0 "[ . 1 . 2]" 2
518 1 57 LYS H 1 57 LYS HB2 . . 3.770 2.286 2.230 2.419 . 0 0 "[ . 1 . 2]" 2
519 1 46 TYR QE 1 57 LYS HB2 . . 4.350 3.846 3.566 4.068 . 0 0 "[ . 1 . 2]" 2
520 1 57 LYS H 1 57 LYS HB3 . . 3.770 2.789 2.628 2.861 . 0 0 "[ . 1 . 2]" 2
521 1 46 TYR QE 1 57 LYS HB3 . . 4.350 4.149 4.035 4.369 0.019 1 0 "[ . 1 . 2]" 2
522 1 45 GLY HA2 1 57 LYS HB3 . . 5.020 4.487 3.993 4.893 . 0 0 "[ . 1 . 2]" 2
523 1 15 ILE H 1 18 HIS HB2 . . 4.620 3.544 3.359 3.722 . 0 0 "[ . 1 . 2]" 2
524 1 18 HIS HB2 1 20 PHE QD . . 4.410 3.137 3.032 3.266 . 0 0 "[ . 1 . 2]" 2
525 1 15 ILE H 1 18 HIS HB3 . . 5.270 4.588 4.446 4.723 . 0 0 "[ . 1 . 2]" 2
526 1 18 HIS HB3 1 20 PHE QD . . 4.140 3.381 3.262 3.473 . 0 0 "[ . 1 . 2]" 2
527 1 18 HIS HB3 1 20 PHE QE . . 4.460 3.386 3.251 3.484 . 0 0 "[ . 1 . 2]" 2
528 1 57 LYS HB2 1 58 LYS H . . 4.570 3.895 3.783 4.051 . 0 0 "[ . 1 . 2]" 2
529 1 57 LYS HB2 1 57 LYS QE . . 4.970 3.768 2.306 4.379 . 0 0 "[ . 1 . 2]" 2
530 1 65 GLY HA2 1 66 ARG QB . . 4.890 4.480 4.303 4.600 . 0 0 "[ . 1 . 2]" 2
531 1 67 CYS HA 1 68 THR HA . . 4.710 4.378 4.336 4.418 . 0 0 "[ . 1 . 2]" 2
532 1 17 ASN QB 1 67 CYS HA . . 5.190 4.952 4.606 5.178 . 0 0 "[ . 1 . 2]" 2
533 1 56 HIS HB2 1 58 LYS QB . . 4.710 4.639 4.431 4.716 0.006 13 0 "[ . 1 . 2]" 2
534 1 56 HIS HB3 1 59 CYS HB3 . . 5.500 5.501 5.468 5.517 0.017 10 0 "[ . 1 . 2]" 2
535 1 56 HIS HB3 1 58 LYS HG2 . . 4.010 2.592 2.306 3.832 . 0 0 "[ . 1 . 2]" 2
536 1 56 HIS HB3 1 58 LYS QB . . 5.210 4.295 4.085 4.492 . 0 0 "[ . 1 . 2]" 2
537 1 19 GLU HB2 1 49 ARG H . . 4.800 3.641 3.160 4.109 . 0 0 "[ . 1 . 2]" 2
538 1 12 ILE MG 1 19 GLU HB3 . . 3.830 2.420 2.167 2.599 . 0 0 "[ . 1 . 2]" 2
539 1 19 GLU HB3 1 49 ARG H . . 4.800 3.678 3.377 3.902 . 0 0 "[ . 1 . 2]" 2
540 1 12 ILE MD 1 19 GLU HB3 . . 5.030 3.469 3.161 3.725 . 0 0 "[ . 1 . 2]" 2
541 1 68 THR HA 1 68 THR MG . . 3.280 2.919 2.165 3.208 . 0 0 "[ . 1 . 2]" 2
542 1 59 CYS HA 1 61 ASP H . . 4.390 4.028 3.802 4.170 . 0 0 "[ . 1 . 2]" 2
543 1 59 CYS HA 1 62 LYS H . . 4.070 3.360 3.261 3.525 . 0 0 "[ . 1 . 2]" 2
544 1 59 CYS HA 1 62 LYS HB2 . . 4.000 2.525 2.339 2.781 . 0 0 "[ . 1 . 2]" 2
545 1 58 LYS HG3 1 59 CYS HA . . 3.450 3.318 3.067 3.450 0.000 2 0 "[ . 1 . 2]" 2
546 1 59 CYS HA 1 62 LYS HG3 . . 3.870 2.517 2.241 2.934 . 0 0 "[ . 1 . 2]" 2
547 1 59 CYS HA 1 62 LYS HG2 . . 4.140 2.948 2.596 3.544 . 0 0 "[ . 1 . 2]" 2
548 1 33 VAL MG1 1 59 CYS HA . . 3.600 2.787 2.451 3.010 . 0 0 "[ . 1 . 2]" 2
549 1 59 CYS HA 1 60 ILE MG . . 5.240 5.001 4.948 5.057 . 0 0 "[ . 1 . 2]" 2
550 1 38 VAL HA 1 39 TRP H . . 3.560 2.609 2.338 3.507 . 0 0 "[ . 1 . 2]" 2
551 1 38 VAL HA 1 56 HIS HD2 . . 4.430 3.588 3.110 4.025 . 0 0 "[ . 1 . 2]" 2
552 1 38 VAL HA 1 38 VAL MG1 . . 3.380 2.307 2.133 2.453 . 0 0 "[ . 1 . 2]" 2
553 1 38 VAL HA 1 38 VAL MG2 . . 3.670 2.459 2.323 2.570 . 0 0 "[ . 1 . 2]" 2
554 1 63 ILE HA 1 63 ILE HG13 . . 3.630 2.905 2.755 3.019 . 0 0 "[ . 1 . 2]" 2
555 1 63 ILE HA 1 63 ILE HG12 . . 3.710 2.510 2.449 2.578 . 0 0 "[ . 1 . 2]" 2
556 1 33 VAL MG2 1 63 ILE HA . . 3.150 2.548 2.228 2.705 . 0 0 "[ . 1 . 2]" 2
557 1 34 CYS H 1 34 CYS HB3 . . 3.620 2.623 2.551 2.872 . 0 0 "[ . 1 . 2]" 2
558 1 33 VAL HB 1 34 CYS HB3 . . 4.460 3.915 3.737 4.041 . 0 0 "[ . 1 . 2]" 2
559 1 77 THR HA 1 77 THR MG . . 3.700 2.710 2.177 3.200 . 0 0 "[ . 1 . 2]" 2
560 1 29 THR HA 1 30 PHE H . . 3.400 2.418 2.244 2.657 . 0 0 "[ . 1 . 2]" 2
561 1 29 THR HA 1 30 PHE QB . . 4.500 4.082 4.024 4.139 . 0 0 "[ . 1 . 2]" 2
562 1 29 THR HA 1 29 THR MG . . 3.360 2.326 2.124 3.153 . 0 0 "[ . 1 . 2]" 2
563 1 70 THR HA 1 70 THR MG . . 3.300 2.654 2.090 3.208 . 0 0 "[ . 1 . 2]" 2
564 1 30 PHE QE 1 32 SER HA . . 4.790 4.151 3.164 4.792 0.002 2 0 "[ . 1 . 2]" 2
565 1 32 SER HA 1 55 ILE MG . . 4.990 4.536 4.366 4.799 . 0 0 "[ . 1 . 2]" 2
566 1 38 VAL HA 1 56 HIS HE1 . . 4.900 3.533 2.749 3.968 . 0 0 "[ . 1 . 2]" 2
567 1 13 HIS HB2 1 20 PHE HB2 . . 3.660 2.177 2.066 2.231 . 0 0 "[ . 1 . 2]" 2
568 1 13 HIS HB2 1 15 ILE MD . . 4.470 2.800 2.765 2.848 . 0 0 "[ . 1 . 2]" 2
569 1 13 HIS HB2 1 14 TYR H . . 4.870 4.329 4.291 4.361 . 0 0 "[ . 1 . 2]" 2
570 1 13 HIS HB2 1 20 PHE QD . . 4.610 3.177 3.004 3.330 . 0 0 "[ . 1 . 2]" 2
571 1 13 HIS HB2 1 60 ILE MD . . 4.000 2.937 2.734 3.147 . 0 0 "[ . 1 . 2]" 2
572 1 13 HIS H 1 13 HIS HB3 . . 3.860 3.696 3.681 3.720 . 0 0 "[ . 1 . 2]" 2
573 1 13 HIS HB3 1 20 PHE HB2 . . 3.810 3.786 3.649 3.824 0.014 7 0 "[ . 1 . 2]" 2
574 1 13 HIS HB3 1 20 PHE H . . 5.470 5.310 5.189 5.475 0.005 1 0 "[ . 1 . 2]" 2
575 1 13 HIS HB3 1 20 PHE QD . . 4.590 4.161 4.001 4.311 . 0 0 "[ . 1 . 2]" 2
576 1 23 THR HA 1 24 PHE HB3 . . 5.070 4.833 4.451 4.999 . 0 0 "[ . 1 . 2]" 2
577 1 31 CYS HB3 1 34 CYS H . . 3.860 3.600 2.929 3.813 . 0 0 "[ . 1 . 2]" 2
578 1 31 CYS HB3 1 55 ILE HA . . 4.890 4.471 4.268 4.684 . 0 0 "[ . 1 . 2]" 2
579 1 31 CYS HB3 1 38 VAL MG2 . . 4.130 3.292 3.138 3.554 . 0 0 "[ . 1 . 2]" 2
580 1 31 CYS HB3 1 56 HIS HE1 . . 3.830 2.804 2.222 3.334 . 0 0 "[ . 1 . 2]" 2
581 1 31 CYS HB2 1 38 VAL H . . 5.230 4.590 4.172 5.245 0.015 19 0 "[ . 1 . 2]" 2
582 1 31 CYS HB2 1 33 VAL H . . 5.030 4.807 4.307 5.014 . 0 0 "[ . 1 . 2]" 2
583 1 31 CYS HB2 1 34 CYS H . . 5.060 4.551 4.130 4.656 . 0 0 "[ . 1 . 2]" 2
584 1 31 CYS HB2 1 35 LYS H . . 4.350 3.635 3.500 3.941 . 0 0 "[ . 1 . 2]" 2
585 1 31 CYS HB2 1 56 HIS HE1 . . 3.810 2.147 1.994 2.443 . 0 0 "[ . 1 . 2]" 2
586 1 31 CYS HB2 1 38 VAL MG2 . . 3.660 2.055 1.884 2.344 . 0 0 "[ . 1 . 2]" 2
587 1 49 ARG H 1 49 ARG HB3 . . 3.750 2.834 2.762 3.007 . 0 0 "[ . 1 . 2]" 2
588 1 21 ILE MD 1 49 ARG HB3 . . 4.110 3.150 2.925 3.368 . 0 0 "[ . 1 . 2]" 2
589 1 63 ILE HA 1 64 ILE HA . . 4.780 4.424 4.387 4.464 . 0 0 "[ . 1 . 2]" 2
590 1 16 LYS QE 1 64 ILE HA . . 3.780 3.260 2.766 3.640 . 0 0 "[ . 1 . 2]" 2
591 1 64 ILE HA 1 64 ILE HG12 . . 3.780 2.856 2.628 3.553 . 0 0 "[ . 1 . 2]" 2
592 1 64 ILE HA 1 64 ILE HG13 . . 3.780 2.927 2.380 3.799 0.019 4 0 "[ . 1 . 2]" 2
593 1 64 ILE HA 1 64 ILE MG . . 3.120 2.369 2.217 2.473 . 0 0 "[ . 1 . 2]" 2
594 1 56 HIS H 1 59 CYS HB3 . . 3.910 3.145 3.051 3.284 . 0 0 "[ . 1 . 2]" 2
595 1 56 HIS HB2 1 59 CYS HB3 . . 3.990 3.825 3.778 3.857 . 0 0 "[ . 1 . 2]" 2
596 1 33 VAL HB 1 59 CYS HB3 . . 3.210 2.128 1.994 2.290 . 0 0 "[ . 1 . 2]" 2
597 1 55 ILE HB 1 59 CYS HB3 . . 3.720 2.560 2.415 2.689 . 0 0 "[ . 1 . 2]" 2
598 1 33 VAL MG2 1 59 CYS HB3 . . 3.100 2.165 1.999 2.419 . 0 0 "[ . 1 . 2]" 2
599 1 55 ILE MG 1 59 CYS HB3 . . 4.410 3.639 3.542 3.734 . 0 0 "[ . 1 . 2]" 2
600 1 55 ILE HG13 1 59 CYS HB3 . . 4.990 4.119 3.642 4.426 . 0 0 "[ . 1 . 2]" 2
601 1 55 ILE MD 1 59 CYS HB3 . . 4.520 2.803 2.358 3.287 . 0 0 "[ . 1 . 2]" 2
602 1 56 HIS H 1 59 CYS HB2 . . 3.750 1.936 1.890 2.020 . 0 0 "[ . 1 . 2]" 2
603 1 56 HIS HB2 1 59 CYS HB2 . . 3.630 2.289 2.173 2.425 . 0 0 "[ . 1 . 2]" 2
604 1 33 VAL HB 1 59 CYS HB2 . . 3.860 3.474 3.283 3.645 . 0 0 "[ . 1 . 2]" 2
605 1 55 ILE HB 1 59 CYS HB2 . . 3.600 2.580 2.454 2.746 . 0 0 "[ . 1 . 2]" 2
606 1 55 ILE HG12 1 59 CYS HB2 . . 5.070 4.761 4.569 4.994 . 0 0 "[ . 1 . 2]" 2
607 1 55 ILE HG13 1 59 CYS HB2 . . 4.140 3.345 3.072 3.666 . 0 0 "[ . 1 . 2]" 2
608 1 20 PHE QD 1 48 CYS HB3 . . 4.260 3.974 3.770 4.204 . 0 0 "[ . 1 . 2]" 2
609 1 20 PHE QE 1 48 CYS HB3 . . 4.490 3.788 3.591 4.024 . 0 0 "[ . 1 . 2]" 2
610 1 47 LYS HA 1 48 CYS HB3 . . 4.860 4.768 4.649 4.854 . 0 0 "[ . 1 . 2]" 2
611 1 48 CYS HB2 1 49 ARG H . . 4.550 4.396 4.327 4.464 . 0 0 "[ . 1 . 2]" 2
612 1 48 CYS HB2 1 53 ALA H . . 3.590 3.148 2.924 3.375 . 0 0 "[ . 1 . 2]" 2
613 1 48 CYS HB2 1 51 CYS H . . 4.370 4.161 4.103 4.232 . 0 0 "[ . 1 . 2]" 2
614 1 20 PHE QD 1 48 CYS HB2 . . 3.790 2.523 2.279 2.721 . 0 0 "[ . 1 . 2]" 2
615 1 20 PHE HZ 1 48 CYS HB2 . . 4.730 4.293 4.097 4.476 . 0 0 "[ . 1 . 2]" 2
616 1 25 PHE QE 1 47 LYS HD2 . . 4.710 2.116 1.996 2.540 . 0 0 "[ . 1 . 2]" 2
617 1 23 THR MG 1 47 LYS HD2 . . 4.050 3.183 2.179 3.706 . 0 0 "[ . 1 . 2]" 2
618 1 25 PHE QE 1 47 LYS HD3 . . 4.710 2.975 2.001 4.039 . 0 0 "[ . 1 . 2]" 2
619 1 47 LYS HD3 1 52 ASN HA . . 5.300 5.057 4.056 5.272 . 0 0 "[ . 1 . 2]" 2
620 1 23 THR MG 1 47 LYS HD3 . . 4.050 2.844 2.429 3.695 . 0 0 "[ . 1 . 2]" 2
621 1 46 TYR QD 1 57 LYS HA . . 3.330 2.225 2.107 2.456 . 0 0 "[ . 1 . 2]" 2
622 1 57 LYS HA 1 57 LYS QD . . 4.400 4.036 3.441 4.143 . 0 0 "[ . 1 . 2]" 2
623 1 57 LYS HA 1 57 LYS HG3 . . 3.550 2.779 2.486 3.530 . 0 0 "[ . 1 . 2]" 2
624 1 57 LYS HA 1 57 LYS HG2 . . 3.900 2.606 2.367 2.934 . 0 0 "[ . 1 . 2]" 2
625 1 57 LYS HA 1 60 ILE HG13 . . 5.500 5.510 5.503 5.529 0.029 10 0 "[ . 1 . 2]" 2
626 1 57 LYS HA 1 60 ILE MG . . 4.260 3.954 3.799 4.153 . 0 0 "[ . 1 . 2]" 2
627 1 57 LYS HA 1 60 ILE MD . . 4.170 4.030 3.910 4.116 . 0 0 "[ . 1 . 2]" 2
628 1 57 LYS HA 1 60 ILE HB . . 4.430 3.414 3.327 3.519 . 0 0 "[ . 1 . 2]" 2
629 1 27 GLN HB3 1 28 PRO HD2 . . 3.690 2.900 1.990 3.591 . 0 0 "[ . 1 . 2]" 2
630 1 27 GLN HB3 1 28 PRO HD3 . . 4.690 4.037 3.433 4.545 . 0 0 "[ . 1 . 2]" 2
631 1 27 GLN HB2 1 28 PRO HD2 . . 3.690 2.557 1.990 3.612 . 0 0 "[ . 1 . 2]" 2
632 1 27 GLN HB2 1 28 PRO HD3 . . 4.690 3.867 3.381 4.695 0.005 2 0 "[ . 1 . 2]" 2
633 1 58 LYS QD 1 59 CYS H . . 4.890 4.353 3.389 4.506 . 0 0 "[ . 1 . 2]" 2
634 1 56 HIS HB2 1 58 LYS QD . . 5.090 4.578 4.241 4.785 . 0 0 "[ . 1 . 2]" 2
635 1 56 HIS HB3 1 58 LYS QD . . 5.410 4.362 3.999 5.089 . 0 0 "[ . 1 . 2]" 2
636 1 58 LYS H 1 58 LYS QD . . 4.980 3.986 3.717 4.243 . 0 0 "[ . 1 . 2]" 2
637 1 12 ILE HA 1 21 ILE HA . . 4.200 2.980 2.747 3.087 . 0 0 "[ . 1 . 2]" 2
638 1 12 ILE HA 1 21 ILE MG . . 4.430 4.180 4.066 4.269 . 0 0 "[ . 1 . 2]" 2
639 1 12 ILE HA 1 12 ILE HG12 . . 3.550 2.588 2.499 2.704 . 0 0 "[ . 1 . 2]" 2
640 1 67 CYS HB3 1 68 THR H . . 4.320 3.915 3.661 4.130 . 0 0 "[ . 1 . 2]" 2
641 1 18 HIS HE1 1 67 CYS HB3 . . 4.980 4.811 4.685 4.978 . 0 0 "[ . 1 . 2]" 2
642 1 67 CYS H 1 67 CYS HB3 . . 3.310 2.581 2.484 2.767 . 0 0 "[ . 1 . 2]" 2
643 1 58 LYS HA 1 58 LYS QD . . 5.090 4.236 3.473 4.408 . 0 0 "[ . 1 . 2]" 2
644 1 16 LYS HA 1 16 LYS HD3 . . 4.190 2.196 1.998 2.482 . 0 0 "[ . 1 . 2]" 2
645 1 16 LYS HD3 1 63 ILE MG . . 4.410 4.234 3.852 4.416 0.006 17 0 "[ . 1 . 2]" 2
646 1 67 CYS HB2 1 68 THR H . . 4.950 4.137 3.989 4.246 . 0 0 "[ . 1 . 2]" 2
647 1 17 ASN QB 1 67 CYS HB2 . . 3.750 3.621 3.398 3.711 . 0 0 "[ . 1 . 2]" 2
648 1 20 PHE QE 1 60 ILE HG13 . . 4.250 3.562 3.312 3.806 . 0 0 "[ . 1 . 2]" 2
649 1 55 ILE MD 1 60 ILE HG13 . . 3.860 2.187 2.053 2.351 . 0 0 "[ . 1 . 2]" 2
650 1 20 PHE QE 1 60 ILE HG12 . . 4.850 4.007 3.646 4.366 . 0 0 "[ . 1 . 2]" 2
651 1 60 ILE H 1 60 ILE HG12 . . 5.300 4.574 4.559 4.593 . 0 0 "[ . 1 . 2]" 2
652 1 60 ILE HA 1 60 ILE HG12 . . 3.580 2.807 2.771 2.869 . 0 0 "[ . 1 . 2]" 2
653 1 60 ILE HG12 1 61 ASP H . . 5.090 4.402 4.310 4.552 . 0 0 "[ . 1 . 2]" 2
654 1 62 LYS H 1 62 LYS HD2 . . 4.970 4.796 4.298 4.988 0.018 10 0 "[ . 1 . 2]" 2
655 1 16 LYS HD2 1 63 ILE MG . . 4.410 3.020 2.578 3.337 . 0 0 "[ . 1 . 2]" 2
656 1 62 LYS HA 1 62 LYS HD3 . . 4.140 2.745 2.015 3.809 . 0 0 "[ . 1 . 2]" 2
657 1 30 PHE HZ 1 35 LYS HB2 . . 5.100 3.911 3.584 5.066 . 0 0 "[ . 1 . 2]" 2
658 1 30 PHE HZ 1 35 LYS HB3 . . 5.100 2.467 2.051 3.352 . 0 0 "[ . 1 . 2]" 2
659 1 62 LYS H 1 62 LYS HD3 . . 4.970 4.445 3.956 4.974 0.004 2 0 "[ . 1 . 2]" 2
660 1 35 LYS H 1 35 LYS QD . . 4.730 4.325 2.509 4.774 0.044 15 0 "[ . 1 . 2]" 2
661 1 35 LYS HA 1 35 LYS QD . . 4.110 3.885 2.649 4.135 0.025 20 0 "[ . 1 . 2]" 2
662 1 55 ILE MD 1 63 ILE HG13 . . 4.540 2.571 2.395 2.703 . 0 0 "[ . 1 . 2]" 2
663 1 60 ILE HA 1 63 ILE HG12 . . 4.540 4.050 3.429 4.542 0.002 8 0 "[ . 1 . 2]" 2
664 1 55 ILE MD 1 63 ILE HG12 . . 4.500 2.931 2.600 3.232 . 0 0 "[ . 1 . 2]" 2
665 1 63 ILE HG13 1 64 ILE H . . 4.990 4.859 4.728 5.003 0.013 17 0 "[ . 1 . 2]" 2
666 1 63 ILE HG12 1 64 ILE H . . 5.020 4.072 3.920 4.209 . 0 0 "[ . 1 . 2]" 2
667 1 12 ILE HA 1 12 ILE HG13 . . 3.750 3.158 2.967 3.259 . 0 0 "[ . 1 . 2]" 2
668 1 12 ILE HG13 1 12 ILE MG . . 3.550 3.197 3.187 3.202 . 0 0 "[ . 1 . 2]" 2
669 1 49 ARG HA 1 49 ARG HG3 . . 4.040 3.650 3.629 3.688 . 0 0 "[ . 1 . 2]" 2
670 1 21 ILE HG12 1 49 ARG H . . 5.500 5.479 5.383 5.555 0.055 13 0 "[ . 1 . 2]" 2
671 1 21 ILE HG13 1 22 ALA H . . 4.980 4.930 4.808 5.001 0.021 15 0 "[ . 1 . 2]" 2
672 1 21 ILE HG13 1 49 ARG H . . 4.780 3.793 3.670 3.893 . 0 0 "[ . 1 . 2]" 2
673 1 21 ILE HA 1 21 ILE HG13 . . 4.120 2.907 2.810 2.997 . 0 0 "[ . 1 . 2]" 2
674 1 12 ILE HA 1 21 ILE HG13 . . 4.490 3.366 3.237 3.576 . 0 0 "[ . 1 . 2]" 2
675 1 15 ILE HG12 1 60 ILE HG12 . . 4.640 3.015 2.741 3.289 . 0 0 "[ . 1 . 2]" 2
676 1 48 CYS HA 1 53 ALA H . . 5.500 4.379 4.250 4.516 . 0 0 "[ . 1 . 2]" 2
677 1 21 ILE HA 1 21 ILE HG12 . . 4.070 2.299 2.226 2.398 . 0 0 "[ . 1 . 2]" 2
678 1 17 ASN QB 1 66 ARG HG3 . . 5.070 4.500 3.248 5.144 0.074 19 0 "[ . 1 . 2]" 2
679 1 66 ARG HG3 1 67 CYS H . . 4.790 4.626 4.026 4.792 0.002 10 0 "[ . 1 . 2]" 2
680 1 66 ARG H 1 66 ARG HG3 . . 4.550 3.182 2.307 3.601 . 0 0 "[ . 1 . 2]" 2
681 1 16 LYS HA 1 66 ARG HG2 . . 5.500 4.382 3.625 5.523 0.023 13 0 "[ . 1 . 2]" 2
682 1 15 ILE HA 1 15 ILE HG13 . . 3.920 2.068 2.056 2.080 . 0 0 "[ . 1 . 2]" 2
683 1 13 HIS HB3 1 15 ILE HG13 . . 4.640 4.406 4.368 4.455 . 0 0 "[ . 1 . 2]" 2
684 1 15 ILE HG13 1 60 ILE MD . . 4.530 4.361 4.113 4.538 0.008 20 0 "[ . 1 . 2]" 2
685 1 15 ILE HG12 1 20 PHE QD . . 4.910 4.727 4.507 4.846 . 0 0 "[ . 1 . 2]" 2
686 1 15 ILE HA 1 15 ILE HG12 . . 3.940 3.381 3.369 3.392 . 0 0 "[ . 1 . 2]" 2
687 1 15 ILE HG12 1 16 LYS QE . . 5.500 5.434 5.171 5.538 0.038 6 0 "[ . 1 . 2]" 2
688 1 13 HIS HB3 1 15 ILE HG12 . . 4.600 4.337 4.306 4.367 . 0 0 "[ . 1 . 2]" 2
689 1 31 CYS HA 1 34 CYS H . . 5.500 5.444 5.116 5.508 0.008 15 0 "[ . 1 . 2]" 2
690 1 31 CYS HA 1 56 HIS H . . 5.500 5.131 5.014 5.340 . 0 0 "[ . 1 . 2]" 2
691 1 30 PHE HA 1 31 CYS HA . . 4.440 4.405 4.359 4.482 0.042 7 0 "[ . 1 . 2]" 2
692 1 31 CYS HA 1 55 ILE MG . . 4.320 3.601 3.368 3.837 . 0 0 "[ . 1 . 2]" 2
693 1 31 CYS HA 1 38 VAL MG2 . . 4.450 3.008 2.501 3.407 . 0 0 "[ . 1 . 2]" 2
694 1 58 LYS HA 1 60 ILE H . . 4.300 3.653 3.518 3.778 . 0 0 "[ . 1 . 2]" 2
695 1 58 LYS HA 1 58 LYS QB . . 2.670 2.179 2.167 2.182 . 0 0 "[ . 1 . 2]" 2
696 1 58 LYS HA 1 58 LYS HG3 . . 3.850 3.710 3.605 3.833 . 0 0 "[ . 1 . 2]" 2
697 1 58 LYS HA 1 58 LYS HG2 . . 4.070 3.818 3.682 4.234 0.164 16 0 "[ . 1 . 2]" 2
698 1 57 LYS HG2 1 58 LYS HA . . 5.000 4.463 4.243 4.943 . 0 0 "[ . 1 . 2]" 2
699 1 58 LYS HA 1 60 ILE MG . . 4.300 3.433 3.325 3.550 . 0 0 "[ . 1 . 2]" 2
700 1 30 PHE HZ 1 35 LYS HA . . 4.810 4.235 3.467 4.769 . 0 0 "[ . 1 . 2]" 2
701 1 15 ILE HA 1 16 LYS HA . . 4.430 4.378 4.374 4.383 . 0 0 "[ . 1 . 2]" 2
702 1 16 LYS HA 1 16 LYS HG2 . . 3.450 2.863 2.743 2.977 . 0 0 "[ . 1 . 2]" 2
703 1 64 ILE H 1 64 ILE HG12 . . 4.430 4.009 2.718 4.439 0.009 15 0 "[ . 1 . 2]" 2
704 1 20 PHE QD 1 55 ILE HG12 . . 4.820 3.900 3.649 4.157 . 0 0 "[ . 1 . 2]" 2
705 1 55 ILE H 1 55 ILE HG12 . . 3.860 2.584 2.395 2.771 . 0 0 "[ . 1 . 2]" 2
706 1 55 ILE HG12 1 56 HIS H . . 4.600 4.303 4.164 4.572 . 0 0 "[ . 1 . 2]" 2
707 1 46 TYR QD 1 55 ILE HG12 . . 4.200 4.062 3.957 4.184 . 0 0 "[ . 1 . 2]" 2
708 1 46 TYR HB2 1 55 ILE HG12 . . 3.810 2.720 2.566 2.794 . 0 0 "[ . 1 . 2]" 2
709 1 55 ILE H 1 55 ILE HG13 . . 3.920 3.226 3.057 3.420 . 0 0 "[ . 1 . 2]" 2
710 1 55 ILE HG13 1 60 ILE H . . 4.480 3.884 3.548 4.147 . 0 0 "[ . 1 . 2]" 2
711 1 48 CYS HA 1 49 ARG HG2 . . 4.700 4.001 3.770 4.136 . 0 0 "[ . 1 . 2]" 2
712 1 49 ARG HA 1 49 ARG HG2 . . 3.980 3.832 3.688 3.900 . 0 0 "[ . 1 . 2]" 2
713 1 21 ILE MG 1 49 ARG HG2 . . 4.850 4.050 4.028 4.086 . 0 0 "[ . 1 . 2]" 2
714 1 21 ILE MD 1 49 ARG HG2 . . 4.400 2.302 1.981 2.499 . 0 0 "[ . 1 . 2]" 2
715 1 21 ILE MG 1 49 ARG HG3 . . 5.500 5.504 5.488 5.522 0.022 19 0 "[ . 1 . 2]" 2
716 1 21 ILE MD 1 49 ARG HG3 . . 4.720 3.466 3.137 3.637 . 0 0 "[ . 1 . 2]" 2
717 1 48 CYS HA 1 49 ARG HG3 . . 5.130 4.338 4.159 4.480 . 0 0 "[ . 1 . 2]" 2
718 1 49 ARG HG3 1 50 GLN HA . . 5.410 4.225 4.063 4.547 . 0 0 "[ . 1 . 2]" 2
719 1 16 LYS H 1 16 LYS HG3 . . 4.810 4.091 3.968 4.194 . 0 0 "[ . 1 . 2]" 2
720 1 16 LYS HA 1 16 LYS HG3 . . 3.820 3.783 3.755 3.819 . 0 0 "[ . 1 . 2]" 2
721 1 16 LYS H 1 16 LYS HG2 . . 4.650 2.514 2.401 2.618 . 0 0 "[ . 1 . 2]" 2
722 1 16 LYS HG2 1 63 ILE MG . . 4.280 3.638 3.308 4.118 . 0 0 "[ . 1 . 2]" 2
723 1 75 ARG HA 1 75 ARG QG . . 3.950 2.502 2.213 3.343 . 0 0 "[ . 1 . 2]" 2
724 1 11 LYS HA 1 12 ILE HG13 . . 3.790 3.485 3.386 3.560 . 0 0 "[ . 1 . 2]" 2
725 1 11 LYS HA 1 11 LYS QG . . 3.500 3.167 2.590 3.429 . 0 0 "[ . 1 . 2]" 2
726 1 11 LYS HA 1 12 ILE MD . . 4.970 4.895 4.692 4.984 0.014 13 0 "[ . 1 . 2]" 2
727 1 11 LYS HA 1 12 ILE HG12 . . 4.800 4.645 4.480 4.806 0.006 19 0 "[ . 1 . 2]" 2
728 1 56 HIS HB2 1 58 LYS HG3 . . 4.120 3.222 2.598 3.692 . 0 0 "[ . 1 . 2]" 2
729 1 56 HIS HB3 1 58 LYS HG3 . . 4.690 3.680 3.063 4.141 . 0 0 "[ . 1 . 2]" 2
730 1 58 LYS HE2 1 58 LYS HG3 . . 4.000 3.169 2.366 3.900 . 0 0 "[ . 1 . 2]" 2
731 1 58 LYS HE3 1 58 LYS HG3 . . 4.000 3.035 2.144 4.070 0.070 12 0 "[ . 1 . 2]" 2
732 1 56 HIS HB2 1 58 LYS HG2 . . 3.950 2.977 2.595 3.952 0.002 16 0 "[ . 1 . 2]" 2
733 1 9 GLN HA 1 10 ALA MB . . 4.640 3.880 3.749 4.018 . 0 0 "[ . 1 . 2]" 2
734 1 9 GLN HA 1 10 ALA H . . 3.370 2.210 2.138 2.405 . 0 0 "[ . 1 . 2]" 2
735 1 62 LYS H 1 62 LYS HG3 . . 3.900 3.827 3.630 3.919 0.019 18 0 "[ . 1 . 2]" 2
736 1 47 LYS H 1 47 LYS HG3 . . 4.880 4.663 4.618 4.723 . 0 0 "[ . 1 . 2]" 2
737 1 47 LYS HG3 1 52 ASN HA . . 4.080 3.053 2.908 3.131 . 0 0 "[ . 1 . 2]" 2
738 1 35 LYS HA 1 35 LYS HG2 . . 4.020 2.780 2.455 3.579 . 0 0 "[ . 1 . 2]" 2
739 1 47 LYS HG2 1 48 CYS H . . 4.060 3.710 3.442 3.933 . 0 0 "[ . 1 . 2]" 2
740 1 47 LYS HA 1 47 LYS HG2 . . 3.980 3.474 3.398 3.543 . 0 0 "[ . 1 . 2]" 2
741 1 47 LYS HG2 1 52 ASN HA . . 3.890 3.681 3.563 3.759 . 0 0 "[ . 1 . 2]" 2
742 1 57 LYS H 1 57 LYS HG3 . . 4.760 4.280 4.195 4.547 . 0 0 "[ . 1 . 2]" 2
743 1 43 LYS HA 1 43 LYS HG3 . . 4.020 2.841 2.215 3.711 . 0 0 "[ . 1 . 2]" 2
744 1 35 LYS H 1 35 LYS HG3 . . 4.440 3.040 2.709 4.267 . 0 0 "[ . 1 . 2]" 2
745 1 35 LYS HA 1 35 LYS HG3 . . 4.020 3.010 2.333 3.886 . 0 0 "[ . 1 . 2]" 2
746 1 43 LYS HA 1 43 LYS HG2 . . 4.020 2.975 2.237 3.839 . 0 0 "[ . 1 . 2]" 2
747 1 41 LEU HA 1 41 LEU MD1 . . 4.010 2.880 1.967 4.113 0.103 17 0 "[ . 1 . 2]" 2
748 1 62 LYS HA 1 62 LYS HD2 . . 4.140 2.858 2.103 3.237 . 0 0 "[ . 1 . 2]" 2
749 1 62 LYS HA 1 62 LYS HG3 . . 3.870 3.790 3.741 3.821 . 0 0 "[ . 1 . 2]" 2
750 1 62 LYS HA 1 62 LYS HG2 . . 3.480 2.876 2.764 3.053 . 0 0 "[ . 1 . 2]" 2
751 1 53 ALA HA 1 54 ALA HA . . 4.670 4.439 4.422 4.452 . 0 0 "[ . 1 . 2]" 2
752 1 48 CYS HB3 1 53 ALA HA . . 5.110 4.747 4.619 4.988 . 0 0 "[ . 1 . 2]" 2
753 1 52 ASN HB3 1 53 ALA HA . . 5.500 5.143 5.100 5.193 . 0 0 "[ . 1 . 2]" 2
754 1 18 HIS HB2 1 19 GLU HA . . 5.300 4.928 4.860 4.988 . 0 0 "[ . 1 . 2]" 2
755 1 41 LEU HA 1 41 LEU MD2 . . 4.010 2.541 1.999 3.911 . 0 0 "[ . 1 . 2]" 2
756 1 41 LEU HB2 1 41 LEU MD2 . . 3.380 2.645 2.261 3.190 . 0 0 "[ . 1 . 2]" 2
757 1 19 GLU HA 1 20 PHE HB2 . . 5.070 4.919 4.872 4.953 . 0 0 "[ . 1 . 2]" 2
758 1 19 GLU HA 1 19 GLU HG2 . . 3.700 3.006 2.159 3.735 0.035 20 0 "[ . 1 . 2]" 2
759 1 12 ILE MG 1 19 GLU HA . . 3.450 2.112 1.966 2.259 . 0 0 "[ . 1 . 2]" 2
760 1 22 ALA HA 1 46 TYR HB3 . . 5.020 4.717 4.476 4.896 . 0 0 "[ . 1 . 2]" 2
761 1 32 SER H 1 54 ALA MB . . 4.970 4.902 4.757 4.978 0.008 2 0 "[ . 1 . 2]" 2
762 1 54 ALA MB 1 55 ILE H . . 3.410 3.168 2.997 3.274 . 0 0 "[ . 1 . 2]" 2
763 1 54 ALA H 1 54 ALA MB . . 2.950 2.161 2.097 2.280 . 0 0 "[ . 1 . 2]" 2
764 1 25 PHE HZ 1 54 ALA MB . . 3.490 3.126 2.709 3.469 . 0 0 "[ . 1 . 2]" 2
765 1 47 LYS HA 1 54 ALA MB . . 3.900 3.435 3.272 3.572 . 0 0 "[ . 1 . 2]" 2
766 1 31 CYS HA 1 54 ALA MB . . 4.000 3.644 3.403 3.780 . 0 0 "[ . 1 . 2]" 2
767 1 29 THR HB 1 54 ALA MB . . 4.230 3.289 2.740 4.223 . 0 0 "[ . 1 . 2]" 2
768 1 29 THR MG 1 54 ALA MB . . 2.780 2.387 1.987 2.773 . 0 0 "[ . 1 . 2]" 2
769 1 38 VAL MG2 1 54 ALA MB . . 4.100 3.538 2.935 4.104 0.004 17 0 "[ . 1 . 2]" 2
770 1 53 ALA HA 1 54 ALA MB . . 4.160 4.034 3.996 4.088 . 0 0 "[ . 1 . 2]" 2
771 1 47 LYS HE2 1 54 ALA MB . . 5.500 4.559 3.590 5.171 . 0 0 "[ . 1 . 2]" 2
772 1 47 LYS HE3 1 54 ALA MB . . 5.500 3.841 2.355 4.794 . 0 0 "[ . 1 . 2]" 2
773 1 22 ALA HA 1 23 THR MG . . 4.940 4.049 3.901 4.243 . 0 0 "[ . 1 . 2]" 2
774 1 22 ALA HA 1 23 THR HB . . 4.890 4.443 4.331 4.505 . 0 0 "[ . 1 . 2]" 2
775 1 33 VAL MG2 1 64 ILE H . . 4.270 4.152 3.879 4.275 0.005 20 0 "[ . 1 . 2]" 2
776 1 33 VAL MG2 1 34 CYS H . . 3.800 3.710 3.658 3.805 0.005 8 0 "[ . 1 . 2]" 2
777 1 33 VAL MG2 1 59 CYS HA . . 4.070 3.742 3.512 3.948 . 0 0 "[ . 1 . 2]" 2
778 1 33 VAL HA 1 33 VAL MG2 . . 2.870 2.281 2.175 2.394 . 0 0 "[ . 1 . 2]" 2
779 1 33 VAL MG2 1 60 ILE HA . . 4.570 3.896 3.531 4.122 . 0 0 "[ . 1 . 2]" 2
780 1 33 VAL MG2 1 59 CYS HB2 . . 3.720 3.600 3.349 3.725 0.005 8 0 "[ . 1 . 2]" 2
781 1 33 VAL MG2 1 63 ILE HB . . 4.350 4.156 3.975 4.270 . 0 0 "[ . 1 . 2]" 2
782 1 33 VAL MG2 1 55 ILE MG . . 3.020 2.131 1.953 2.352 . 0 0 "[ . 1 . 2]" 2
783 1 27 GLN HA 1 28 PRO HD3 . . 3.950 2.306 2.290 2.367 . 0 0 "[ . 1 . 2]" 2
784 1 70 THR H 1 71 ALA HA . . 5.280 4.904 4.566 5.222 . 0 0 "[ . 1 . 2]" 2
785 1 10 ALA HA 1 11 LYS QB . . 4.540 4.102 3.937 4.265 . 0 0 "[ . 1 . 2]" 2
786 1 67 CYS HA 1 68 THR MG . . 4.110 3.744 3.521 3.955 . 0 0 "[ . 1 . 2]" 2
787 1 77 THR MG 1 78 SER H . . 5.500 3.526 2.040 4.364 . 0 0 "[ . 1 . 2]" 2
788 1 29 THR HB 1 38 VAL MG1 . . 4.390 3.562 2.425 4.411 0.021 15 0 "[ . 1 . 2]" 2
789 1 38 VAL MG1 1 46 TYR H . . 5.100 4.351 3.930 4.852 . 0 0 "[ . 1 . 2]" 2
790 1 38 VAL MG1 1 56 HIS H . . 4.850 4.500 3.991 4.861 0.011 19 0 "[ . 1 . 2]" 2
791 1 38 VAL MG1 1 56 HIS HD2 . . 4.600 3.425 2.889 4.447 . 0 0 "[ . 1 . 2]" 2
792 1 25 PHE QD 1 38 VAL MG1 . . 4.120 3.224 2.590 3.573 . 0 0 "[ . 1 . 2]" 2
793 1 25 PHE QE 1 38 VAL MG1 . . 4.280 3.758 3.132 4.067 . 0 0 "[ . 1 . 2]" 2
794 1 38 VAL MG1 1 56 HIS HA . . 4.340 3.354 2.813 3.755 . 0 0 "[ . 1 . 2]" 2
795 1 31 CYS HA 1 38 VAL MG1 . . 5.500 4.815 4.171 5.310 . 0 0 "[ . 1 . 2]" 2
796 1 38 VAL MG1 1 44 GLN HA . . 5.500 5.145 4.089 5.503 0.003 12 0 "[ . 1 . 2]" 2
797 1 33 VAL H 1 33 VAL MG1 . . 3.800 3.740 3.709 3.760 . 0 0 "[ . 1 . 2]" 2
798 1 33 VAL MG1 1 62 LYS H . . 4.110 3.981 3.585 4.135 0.025 19 0 "[ . 1 . 2]" 2
799 1 33 VAL MG1 1 62 LYS HA . . 4.570 4.385 4.150 4.512 . 0 0 "[ . 1 . 2]" 2
800 1 33 VAL HA 1 33 VAL MG1 . . 2.930 2.465 2.364 2.552 . 0 0 "[ . 1 . 2]" 2
801 1 33 VAL MG1 1 63 ILE HA . . 3.800 3.654 3.320 3.799 . 0 0 "[ . 1 . 2]" 2
802 1 33 VAL MG1 1 34 CYS HB2 . . 4.300 4.223 4.120 4.304 0.004 8 0 "[ . 1 . 2]" 2
803 1 33 VAL MG1 1 59 CYS HB3 . . 3.050 2.583 2.364 2.793 . 0 0 "[ . 1 . 2]" 2
804 1 33 VAL MG1 1 34 CYS HB3 . . 3.550 2.897 2.776 3.003 . 0 0 "[ . 1 . 2]" 2
805 1 33 VAL MG1 1 59 CYS HB2 . . 4.070 3.912 3.706 4.073 0.003 7 0 "[ . 1 . 2]" 2
806 1 33 VAL MG1 1 62 LYS HB2 . . 3.030 1.980 1.941 2.088 . 0 0 "[ . 1 . 2]" 2
807 1 33 VAL MG1 1 62 LYS HB3 . . 2.860 2.632 2.443 2.795 . 0 0 "[ . 1 . 2]" 2
808 1 23 THR MG 1 47 LYS H . . 4.040 3.047 2.766 3.597 . 0 0 "[ . 1 . 2]" 2
809 1 23 THR MG 1 24 PHE H . . 3.770 3.397 3.070 3.529 . 0 0 "[ . 1 . 2]" 2
810 1 23 THR MG 1 25 PHE QE . . 3.720 2.244 1.931 2.535 . 0 0 "[ . 1 . 2]" 2
811 1 23 THR MG 1 47 LYS HA . . 4.630 4.086 3.890 4.311 . 0 0 "[ . 1 . 2]" 2
812 1 23 THR MG 1 46 TYR HA . . 4.150 3.290 3.038 3.712 . 0 0 "[ . 1 . 2]" 2
813 1 23 THR MG 1 24 PHE HA . . 3.960 3.766 3.553 3.908 . 0 0 "[ . 1 . 2]" 2
814 1 23 THR HA 1 23 THR MG . . 3.230 3.184 3.164 3.198 . 0 0 "[ . 1 . 2]" 2
815 1 23 THR MG 1 47 LYS HE2 . . 5.210 4.861 4.414 5.165 . 0 0 "[ . 1 . 2]" 2
816 1 23 THR MG 1 25 PHE HB2 . . 5.500 4.879 4.518 5.177 . 0 0 "[ . 1 . 2]" 2
817 1 23 THR MG 1 47 LYS HB2 . . 3.500 2.548 2.343 2.837 . 0 0 "[ . 1 . 2]" 2
818 1 23 THR MG 1 47 LYS HB3 . . 3.230 1.953 1.802 2.116 . 0 0 "[ . 1 . 2]" 2
819 1 29 THR MG 1 30 PHE H . . 4.220 1.874 1.763 2.372 . 0 0 "[ . 1 . 2]" 2
820 1 25 PHE QD 1 29 THR MG . . 4.450 3.766 3.169 4.279 . 0 0 "[ . 1 . 2]" 2
821 1 25 PHE QE 1 29 THR MG . . 4.630 4.186 3.360 4.634 0.004 5 0 "[ . 1 . 2]" 2
822 1 27 GLN HA 1 28 PRO HD2 . . 3.460 2.418 2.381 2.548 . 0 0 "[ . 1 . 2]" 2
823 1 27 GLN HG3 1 28 PRO HD2 . . 4.810 3.883 3.193 4.635 . 0 0 "[ . 1 . 2]" 2
824 1 48 CYS H 1 53 ALA MB . . 3.940 3.369 3.226 3.539 . 0 0 "[ . 1 . 2]" 2
825 1 53 ALA H 1 53 ALA MB . . 2.800 2.322 2.236 2.401 . 0 0 "[ . 1 . 2]" 2
826 1 20 PHE QE 1 53 ALA MB . . 3.430 2.202 1.994 2.607 . 0 0 "[ . 1 . 2]" 2
827 1 20 PHE HZ 1 53 ALA MB . . 3.760 3.586 3.413 3.762 0.002 6 0 "[ . 1 . 2]" 2
828 1 47 LYS HA 1 53 ALA MB . . 4.930 4.409 4.280 4.494 . 0 0 "[ . 1 . 2]" 2
829 1 53 ALA MB 1 54 ALA HA . . 4.770 4.333 4.304 4.357 . 0 0 "[ . 1 . 2]" 2
830 1 32 SER HB3 1 53 ALA MB . . 3.720 3.552 3.340 3.723 0.003 14 0 "[ . 1 . 2]" 2
831 1 48 CYS HB3 1 53 ALA MB . . 3.440 2.900 2.630 3.261 . 0 0 "[ . 1 . 2]" 2
832 1 53 ALA MB 1 55 ILE MG . . 3.860 2.917 2.761 3.084 . 0 0 "[ . 1 . 2]" 2
833 1 53 ALA MB 1 55 ILE MD . . 4.920 4.483 4.210 4.784 . 0 0 "[ . 1 . 2]" 2
834 1 10 ALA MB 1 12 ILE H . . 5.500 5.188 4.822 5.425 . 0 0 "[ . 1 . 2]" 2
835 1 70 THR H 1 71 ALA MB . . 5.500 5.240 4.360 5.480 . 0 0 "[ . 1 . 2]" 2
836 1 55 ILE H 1 55 ILE MG . . 4.190 2.901 2.802 3.000 . 0 0 "[ . 1 . 2]" 2
837 1 55 ILE MG 1 56 HIS H . . 4.230 3.756 3.731 3.814 . 0 0 "[ . 1 . 2]" 2
838 1 20 PHE QE 1 55 ILE MG . . 3.900 3.102 2.817 3.371 . 0 0 "[ . 1 . 2]" 2
839 1 55 ILE MG 1 59 CYS HB2 . . 4.510 4.165 4.033 4.302 . 0 0 "[ . 1 . 2]" 2
840 1 46 TYR HB2 1 55 ILE MG . . 4.700 4.547 4.502 4.587 . 0 0 "[ . 1 . 2]" 2
841 1 33 VAL HB 1 55 ILE MG . . 4.520 3.587 3.402 3.762 . 0 0 "[ . 1 . 2]" 2
842 1 55 ILE MD 1 55 ILE MG . . 3.230 2.149 2.012 2.283 . 0 0 "[ . 1 . 2]" 2
843 1 46 TYR HB3 1 55 ILE MG . . 5.500 5.274 5.159 5.377 . 0 0 "[ . 1 . 2]" 2
844 1 55 ILE MG 1 60 ILE HA . . 4.730 4.562 4.474 4.642 . 0 0 "[ . 1 . 2]" 2
845 1 22 ALA H 1 22 ALA MB . . 3.030 2.059 2.025 2.149 . 0 0 "[ . 1 . 2]" 2
846 1 22 ALA MB 1 46 TYR QE . . 3.290 2.662 2.353 3.009 . 0 0 "[ . 1 . 2]" 2
847 1 22 ALA MB 1 46 TYR HA . . 4.790 4.513 4.382 4.644 . 0 0 "[ . 1 . 2]" 2
848 1 21 ILE HA 1 22 ALA MB . . 3.980 3.943 3.927 3.976 . 0 0 "[ . 1 . 2]" 2
849 1 21 ILE MG 1 22 ALA H . . 3.640 2.681 2.534 2.758 . 0 0 "[ . 1 . 2]" 2
850 1 13 HIS H 1 21 ILE MG . . 5.500 5.416 5.276 5.513 0.013 19 0 "[ . 1 . 2]" 2
851 1 21 ILE MG 1 47 LYS H . . 4.720 4.709 4.581 4.742 0.022 7 0 "[ . 1 . 2]" 2
852 1 21 ILE H 1 21 ILE MG . . 3.690 3.670 3.636 3.706 0.016 8 0 "[ . 1 . 2]" 2
853 1 21 ILE MG 1 46 TYR QD . . 5.350 5.187 4.955 5.347 . 0 0 "[ . 1 . 2]" 2
854 1 21 ILE HA 1 21 ILE MG . . 3.210 2.577 2.544 2.616 . 0 0 "[ . 1 . 2]" 2
855 1 21 ILE MG 1 22 ALA HA . . 4.260 4.030 3.934 4.077 . 0 0 "[ . 1 . 2]" 2
856 1 21 ILE MG 1 23 THR HA . . 4.590 4.173 4.072 4.232 . 0 0 "[ . 1 . 2]" 2
857 1 21 ILE MG 1 49 ARG HD2 . . 4.830 4.096 3.900 4.323 . 0 0 "[ . 1 . 2]" 2
858 1 12 ILE MG 1 21 ILE MG . . 4.840 4.608 4.188 4.814 . 0 0 "[ . 1 . 2]" 2
859 1 63 ILE MG 1 64 ILE H . . 3.640 2.109 1.868 2.329 . 0 0 "[ . 1 . 2]" 2
860 1 62 LYS H 1 63 ILE MG . . 5.500 5.412 5.346 5.477 . 0 0 "[ . 1 . 2]" 2
861 1 18 HIS HD2 1 63 ILE MG . . 3.760 3.612 3.429 3.765 0.005 18 0 "[ . 1 . 2]" 2
862 1 63 ILE H 1 63 ILE MG . . 3.910 3.776 3.731 3.794 . 0 0 "[ . 1 . 2]" 2
863 1 20 PHE HZ 1 63 ILE MG . . 4.150 3.310 3.002 3.562 . 0 0 "[ . 1 . 2]" 2
864 1 63 ILE MG 1 64 ILE HA . . 4.230 3.343 3.088 3.571 . 0 0 "[ . 1 . 2]" 2
865 1 60 ILE HA 1 63 ILE MG . . 5.010 4.792 4.606 4.911 . 0 0 "[ . 1 . 2]" 2
866 1 16 LYS QE 1 63 ILE MG . . 3.820 3.605 3.248 3.837 0.017 6 0 "[ . 1 . 2]" 2
867 1 55 ILE MD 1 63 ILE MG . . 4.410 4.098 3.910 4.230 . 0 0 "[ . 1 . 2]" 2
868 1 64 ILE H 1 64 ILE MG . . 4.230 3.875 3.829 3.906 . 0 0 "[ . 1 . 2]" 2
869 1 64 ILE MG 1 65 GLY HA2 . . 4.640 3.551 3.199 3.899 . 0 0 "[ . 1 . 2]" 2
870 1 16 LYS QE 1 64 ILE MG . . 5.040 4.632 4.139 5.040 . 0 0 "[ . 1 . 2]" 2
871 1 15 ILE MG 1 16 LYS H . . 4.120 2.327 2.211 2.407 . 0 0 "[ . 1 . 2]" 2
872 1 15 ILE MG 1 17 ASN H . . 4.470 4.136 4.101 4.174 . 0 0 "[ . 1 . 2]" 2
873 1 15 ILE H 1 15 ILE MG . . 3.670 3.572 3.559 3.588 . 0 0 "[ . 1 . 2]" 2
874 1 15 ILE MG 1 18 HIS HD2 . . 3.900 3.726 3.586 3.886 . 0 0 "[ . 1 . 2]" 2
875 1 15 ILE MG 1 20 PHE QE . . 3.160 2.439 2.225 2.618 . 0 0 "[ . 1 . 2]" 2
876 1 15 ILE MG 1 20 PHE HZ . . 4.630 4.450 4.224 4.625 . 0 0 "[ . 1 . 2]" 2
877 1 14 TYR HA 1 15 ILE MG . . 5.500 5.542 5.526 5.560 0.060 8 0 "[ . 1 . 2]" 2
878 1 15 ILE HA 1 15 ILE MG . . 3.240 2.664 2.648 2.676 . 0 0 "[ . 1 . 2]" 2
879 1 15 ILE MG 1 16 LYS HA . . 4.370 3.672 3.620 3.711 . 0 0 "[ . 1 . 2]" 2
880 1 15 ILE MG 1 60 ILE HA . . 4.700 3.951 3.776 4.130 . 0 0 "[ . 1 . 2]" 2
881 1 15 ILE MG 1 16 LYS QE . . 4.140 3.305 3.088 3.421 . 0 0 "[ . 1 . 2]" 2
882 1 15 ILE MG 1 18 HIS HB2 . . 4.340 3.355 3.339 3.375 . 0 0 "[ . 1 . 2]" 2
883 1 13 HIS HB3 1 15 ILE MG . . 4.830 4.837 4.765 4.862 0.032 10 0 "[ . 1 . 2]" 2
884 1 15 ILE MG 1 60 ILE MD . . 3.720 3.329 3.037 3.587 . 0 0 "[ . 1 . 2]" 2
885 1 12 ILE MG 1 13 HIS HB2 . . 4.860 4.202 4.026 4.310 . 0 0 "[ . 1 . 2]" 2
886 1 12 ILE MG 1 13 HIS H . . 3.500 2.270 1.924 2.485 . 0 0 "[ . 1 . 2]" 2
887 1 12 ILE MG 1 20 PHE H . . 4.050 3.849 3.536 4.038 . 0 0 "[ . 1 . 2]" 2
888 1 12 ILE MG 1 13 HIS HA . . 4.450 3.872 3.779 4.022 . 0 0 "[ . 1 . 2]" 2
889 1 12 ILE HA 1 12 ILE MG . . 3.170 2.350 2.255 2.424 . 0 0 "[ . 1 . 2]" 2
890 1 12 ILE MG 1 19 GLU HG2 . . 4.120 2.899 1.959 3.856 . 0 0 "[ . 1 . 2]" 2
891 1 12 ILE MG 1 19 GLU HB2 . . 3.830 3.679 3.477 3.830 0.000 20 0 "[ . 1 . 2]" 2
892 1 12 ILE MG 1 21 ILE HG12 . . 3.330 2.960 2.524 3.287 . 0 0 "[ . 1 . 2]" 2
893 1 60 ILE MG 1 61 ASP H . . 3.140 1.942 1.850 2.071 . 0 0 "[ . 1 . 2]" 2
894 1 59 CYS H 1 60 ILE MG . . 4.670 4.518 4.453 4.581 . 0 0 "[ . 1 . 2]" 2
895 1 60 ILE H 1 60 ILE MG . . 2.930 2.614 2.554 2.668 . 0 0 "[ . 1 . 2]" 2
896 1 46 TYR QE 1 60 ILE MG . . 3.480 3.001 2.703 3.444 . 0 0 "[ . 1 . 2]" 2
897 1 60 ILE MG 1 61 ASP HA . . 3.900 2.972 2.861 3.143 . 0 0 "[ . 1 . 2]" 2
898 1 60 ILE HA 1 60 ILE MG . . 3.430 3.155 3.147 3.163 . 0 0 "[ . 1 . 2]" 2
899 1 60 ILE MG 1 61 ASP HB2 . . 4.380 3.243 2.675 4.201 . 0 0 "[ . 1 . 2]" 2
900 1 60 ILE MD 1 60 ILE MG . . 2.870 2.018 1.924 2.129 . 0 0 "[ . 1 . 2]" 2
901 1 15 ILE HB 1 60 ILE MG . . 5.150 4.873 4.687 5.115 . 0 0 "[ . 1 . 2]" 2
902 1 14 TYR H 1 14 TYR QD . . 3.430 3.019 2.580 3.226 . 0 0 "[ . 1 . 2]" 2
903 1 14 TYR HA 1 14 TYR QD . . 3.580 2.258 2.146 2.498 . 0 0 "[ . 1 . 2]" 2
904 1 13 HIS HA 1 14 TYR QD . . 4.820 4.476 3.860 4.705 . 0 0 "[ . 1 . 2]" 2
905 1 14 TYR QD 1 19 GLU HA . . 4.100 3.419 3.215 3.576 . 0 0 "[ . 1 . 2]" 2
906 1 12 ILE HB 1 14 TYR QD . . 4.440 4.040 3.058 4.442 0.002 10 0 "[ . 1 . 2]" 2
907 1 12 ILE MG 1 14 TYR QD . . 3.950 2.867 2.149 3.320 . 0 0 "[ . 1 . 2]" 2
908 1 46 TYR H 1 46 TYR QD . . 4.160 3.821 3.626 3.907 . 0 0 "[ . 1 . 2]" 2
909 1 21 ILE H 1 46 TYR QD . . 5.460 4.964 4.642 5.248 . 0 0 "[ . 1 . 2]" 2
910 1 21 ILE HA 1 46 TYR QD . . 4.850 4.655 4.376 4.829 . 0 0 "[ . 1 . 2]" 2
911 1 22 ALA HA 1 46 TYR QD . . 3.440 2.163 2.004 2.368 . 0 0 "[ . 1 . 2]" 2
912 1 20 PHE HB2 1 46 TYR QD . . 4.750 4.697 4.649 4.753 0.003 8 0 "[ . 1 . 2]" 2
913 1 22 ALA MB 1 46 TYR QD . . 3.510 3.302 3.097 3.519 0.009 1 0 "[ . 1 . 2]" 2
914 1 46 TYR QD 1 60 ILE MG . . 4.230 3.654 3.405 3.990 . 0 0 "[ . 1 . 2]" 2
915 1 46 TYR QD 1 55 ILE HG13 . . 4.030 3.270 3.162 3.426 . 0 0 "[ . 1 . 2]" 2
916 1 46 TYR QD 1 60 ILE HG13 . . 4.940 3.669 3.454 3.903 . 0 0 "[ . 1 . 2]" 2
917 1 24 PHE HA 1 24 PHE QD . . 4.120 2.662 2.027 3.084 . 0 0 "[ . 1 . 2]" 2
918 1 24 PHE QD 1 44 GLN HA . . 4.620 3.579 2.275 4.531 . 0 0 "[ . 1 . 2]" 2
919 1 24 PHE QD 1 44 GLN HB2 . . 5.120 3.084 2.108 3.989 . 0 0 "[ . 1 . 2]" 2
920 1 20 PHE QE 1 48 CYS H . . 4.450 3.328 3.018 3.613 . 0 0 "[ . 1 . 2]" 2
921 1 18 HIS HB2 1 20 PHE QE . . 4.170 2.712 2.521 2.878 . 0 0 "[ . 1 . 2]" 2
922 1 20 PHE QE 1 48 CYS HB2 . . 3.950 2.605 2.382 2.740 . 0 0 "[ . 1 . 2]" 2
923 1 15 ILE HB 1 20 PHE QE . . 4.140 3.413 3.126 3.580 . 0 0 "[ . 1 . 2]" 2
924 1 20 PHE QE 1 55 ILE MD . . 4.440 3.373 2.994 3.618 . 0 0 "[ . 1 . 2]" 2
925 1 20 PHE QE 1 63 ILE HG13 . . 4.870 4.678 4.478 4.867 . 0 0 "[ . 1 . 2]" 2
926 1 20 PHE QE 1 55 ILE HG12 . . 4.940 3.825 3.529 4.174 . 0 0 "[ . 1 . 2]" 2
927 1 20 PHE QE 1 63 ILE HG12 . . 5.460 4.585 4.366 4.852 . 0 0 "[ . 1 . 2]" 2
928 1 46 TYR QD 1 55 ILE MD . . 3.690 3.372 3.054 3.615 . 0 0 "[ . 1 . 2]" 2
929 1 20 PHE QE 1 47 LYS HA . . 4.930 4.375 3.999 4.619 . 0 0 "[ . 1 . 2]" 2
930 1 20 PHE QD 1 53 ALA MB . . 4.640 3.926 3.761 4.265 . 0 0 "[ . 1 . 2]" 2
931 1 30 PHE HA 1 30 PHE QD . . 4.470 2.502 2.173 2.986 . 0 0 "[ . 1 . 2]" 2
932 1 30 PHE QD 1 35 LYS HA . . 5.030 3.958 2.649 4.267 . 0 0 "[ . 1 . 2]" 2
933 1 30 PHE QE 1 35 LYS HA . . 5.030 3.666 2.319 4.202 . 0 0 "[ . 1 . 2]" 2
934 1 20 PHE QD 1 48 CYS HA . . 4.290 3.173 2.959 3.269 . 0 0 "[ . 1 . 2]" 2
935 1 20 PHE QD 1 46 TYR HB2 . . 4.580 4.241 4.038 4.468 . 0 0 "[ . 1 . 2]" 2
936 1 28 PRO QB 1 37 PHE QD . . 4.600 3.524 2.937 4.530 . 0 0 "[ . 1 . 2]" 2
937 1 15 ILE MG 1 20 PHE QD . . 4.060 3.220 3.019 3.387 . 0 0 "[ . 1 . 2]" 2
938 1 20 PHE QD 1 60 ILE HG13 . . 4.680 3.192 2.973 3.532 . 0 0 "[ . 1 . 2]" 2
939 1 20 PHE QD 1 55 ILE MG . . 4.620 4.252 4.038 4.394 . 0 0 "[ . 1 . 2]" 2
940 1 30 PHE QD 1 36 ASP HA . . 5.060 4.857 4.474 5.068 0.008 6 0 "[ . 1 . 2]" 2
941 1 37 PHE HA 1 37 PHE QD . . 4.280 2.859 2.441 3.196 . 0 0 "[ . 1 . 2]" 2
942 1 25 PHE QE 1 54 ALA MB . . 4.370 2.480 1.970 3.176 . 0 0 "[ . 1 . 2]" 2
943 1 30 PHE HZ 1 35 LYS QD . . 4.600 3.058 2.001 4.601 0.001 2 0 "[ . 1 . 2]" 2
944 1 23 THR MG 1 25 PHE HZ . . 4.980 2.168 1.944 2.541 . 0 0 "[ . 1 . 2]" 2
945 1 25 PHE HZ 1 47 LYS H . . 4.640 3.499 3.300 4.021 . 0 0 "[ . 1 . 2]" 2
946 1 20 PHE HZ 1 55 ILE MD . . 4.160 3.475 3.102 3.886 . 0 0 "[ . 1 . 2]" 2
947 1 18 HIS HB2 1 20 PHE HZ . . 4.830 4.066 3.713 4.365 . 0 0 "[ . 1 . 2]" 2
948 1 18 HIS HB3 1 20 PHE HZ . . 4.350 3.990 3.718 4.200 . 0 0 "[ . 1 . 2]" 2
949 1 20 PHE HZ 1 63 ILE HG12 . . 4.570 3.988 3.749 4.260 . 0 0 "[ . 1 . 2]" 2
950 1 20 PHE HZ 1 55 ILE MG . . 4.240 3.844 3.609 4.095 . 0 0 "[ . 1 . 2]" 2
951 1 28 PRO HA 1 39 TRP HD1 . . 5.500 5.138 4.617 5.503 0.003 20 0 "[ . 1 . 2]" 2
952 1 37 PHE HB3 1 39 TRP HD1 . . 4.720 4.034 2.827 4.717 . 0 0 "[ . 1 . 2]" 2
953 1 18 HIS H 1 18 HIS HD2 . . 3.630 3.530 3.414 3.637 0.007 13 0 "[ . 1 . 2]" 2
954 1 18 HIS HD2 1 20 PHE QE . . 3.840 3.604 3.524 3.730 . 0 0 "[ . 1 . 2]" 2
955 1 18 HIS HD2 1 20 PHE HZ . . 4.590 4.180 3.778 4.576 . 0 0 "[ . 1 . 2]" 2
956 1 16 LYS HA 1 18 HIS HD2 . . 4.980 4.310 4.159 4.499 . 0 0 "[ . 1 . 2]" 2
957 1 18 HIS HB2 1 18 HIS HD2 . . 3.650 2.829 2.788 2.854 . 0 0 "[ . 1 . 2]" 2
958 1 16 LYS HB3 1 18 HIS HD2 . . 3.560 2.821 2.705 2.941 . 0 0 "[ . 1 . 2]" 2
959 1 16 LYS HB2 1 18 HIS HD2 . . 3.270 2.083 1.999 2.258 . 0 0 "[ . 1 . 2]" 2
960 1 16 LYS HG3 1 18 HIS HD2 . . 4.410 4.183 4.071 4.369 . 0 0 "[ . 1 . 2]" 2
961 1 18 HIS HD2 1 67 CYS HB2 . . 4.390 3.171 2.980 3.375 . 0 0 "[ . 1 . 2]" 2
962 1 28 PRO HA 1 39 TRP HE3 . . 5.140 5.014 4.401 5.165 0.025 10 0 "[ . 1 . 2]" 2
963 1 12 ILE HA 1 13 HIS HD2 . . 4.460 2.483 2.398 2.555 . 0 0 "[ . 1 . 2]" 2
964 1 13 HIS HD2 1 60 ILE MD . . 5.090 4.942 4.705 5.094 0.004 1 0 "[ . 1 . 2]" 2
965 1 55 ILE HA 1 56 HIS H . . 2.990 2.522 2.443 2.560 . 0 0 "[ . 1 . 2]" 2
966 1 54 ALA HA 1 55 ILE HA . . 4.890 4.404 4.393 4.432 . 0 0 "[ . 1 . 2]" 2
967 1 55 ILE HA 1 56 HIS HB2 . . 5.090 4.872 4.780 4.976 . 0 0 "[ . 1 . 2]" 2
968 1 55 ILE HA 1 59 CYS HB2 . . 4.540 4.124 4.003 4.241 . 0 0 "[ . 1 . 2]" 2
969 1 31 CYS HB2 1 55 ILE HA . . 4.110 3.411 2.963 3.798 . 0 0 "[ . 1 . 2]" 2
970 1 54 ALA MB 1 55 ILE HA . . 4.350 3.975 3.926 4.053 . 0 0 "[ . 1 . 2]" 2
971 1 33 VAL MG2 1 55 ILE HA . . 4.550 4.477 4.288 4.559 0.009 7 0 "[ . 1 . 2]" 2
972 1 55 ILE HA 1 55 ILE MG . . 3.200 2.383 2.354 2.439 . 0 0 "[ . 1 . 2]" 2
973 1 55 ILE HA 1 55 ILE MD . . 4.400 4.148 4.127 4.174 . 0 0 "[ . 1 . 2]" 2
974 1 22 ALA H 1 46 TYR QE . . 4.570 4.155 3.824 4.443 . 0 0 "[ . 1 . 2]" 2
975 1 46 TYR HA 1 46 TYR QE . . 4.830 4.317 4.270 4.359 . 0 0 "[ . 1 . 2]" 2
976 1 22 ALA HA 1 46 TYR QE . . 4.010 3.191 3.014 3.429 . 0 0 "[ . 1 . 2]" 2
977 1 46 TYR QE 1 57 LYS HA . . 3.150 2.162 2.019 2.326 . 0 0 "[ . 1 . 2]" 2
978 1 46 TYR QE 1 57 LYS QD . . 4.300 3.883 3.263 4.102 . 0 0 "[ . 1 . 2]" 2
979 1 46 TYR QE 1 60 ILE HB . . 3.780 3.224 3.003 3.439 . 0 0 "[ . 1 . 2]" 2
980 1 46 TYR QE 1 57 LYS HG3 . . 3.770 2.545 2.139 3.568 . 0 0 "[ . 1 . 2]" 2
981 1 46 TYR QE 1 57 LYS HG2 . . 4.190 2.138 1.988 2.697 . 0 0 "[ . 1 . 2]" 2
982 1 46 TYR QE 1 60 ILE MD . . 3.790 2.814 2.532 3.116 . 0 0 "[ . 1 . 2]" 2
983 1 46 TYR H 1 46 TYR QE . . 5.500 5.413 5.223 5.508 0.008 10 0 "[ . 1 . 2]" 2
984 1 14 TYR HA 1 19 GLU HA . . 3.920 3.574 3.451 3.722 . 0 0 "[ . 1 . 2]" 2
985 1 12 ILE MG 1 14 TYR HA . . 4.500 3.751 3.598 4.013 . 0 0 "[ . 1 . 2]" 2
986 1 14 TYR HA 1 20 PHE H . . 5.050 4.886 4.754 5.015 . 0 0 "[ . 1 . 2]" 2
987 1 14 TYR H 1 14 TYR QE . . 4.830 4.601 4.461 4.849 0.019 18 0 "[ . 1 . 2]" 2
988 1 12 ILE H 1 14 TYR QE . . 5.500 5.205 5.030 5.405 . 0 0 "[ . 1 . 2]" 2
989 1 14 TYR QE 1 19 GLU HA . . 4.370 4.208 3.782 4.385 0.015 13 0 "[ . 1 . 2]" 2
990 1 12 ILE HB 1 14 TYR QE . . 3.420 3.082 2.627 3.327 . 0 0 "[ . 1 . 2]" 2
991 1 12 ILE MD 1 14 TYR QE . . 4.170 2.976 2.609 3.234 . 0 0 "[ . 1 . 2]" 2
992 1 12 ILE MG 1 14 TYR QE . . 3.570 2.421 1.979 2.832 . 0 0 "[ . 1 . 2]" 2
993 1 46 TYR HA 1 46 TYR QD . . 3.530 2.085 1.992 2.191 . 0 0 "[ . 1 . 2]" 2
994 1 22 ALA HA 1 46 TYR HA . . 3.260 3.021 2.868 3.162 . 0 0 "[ . 1 . 2]" 2
995 1 23 THR HB 1 46 TYR HA . . 4.940 4.917 4.830 4.954 0.014 13 0 "[ . 1 . 2]" 2
996 1 46 TYR HA 1 47 LYS HB2 . . 4.750 4.603 4.489 4.711 . 0 0 "[ . 1 . 2]" 2
997 1 46 TYR HA 1 47 LYS HB3 . . 5.060 4.304 4.199 4.400 . 0 0 "[ . 1 . 2]" 2
998 1 20 PHE QD 1 46 TYR HA . . 5.500 5.119 4.887 5.445 . 0 0 "[ . 1 . 2]" 2
999 1 25 PHE HZ 1 47 LYS HA . . 4.420 3.544 3.216 3.950 . 0 0 "[ . 1 . 2]" 2
1000 1 47 LYS HA 1 48 CYS HB2 . . 4.690 4.419 4.331 4.541 . 0 0 "[ . 1 . 2]" 2
1001 1 47 LYS HA 1 55 ILE HG12 . . 4.760 4.542 4.400 4.692 . 0 0 "[ . 1 . 2]" 2
1002 1 20 PHE QD 1 47 LYS HA . . 3.830 3.253 2.998 3.426 . 0 0 "[ . 1 . 2]" 2
1003 1 47 LYS HA 1 54 ALA HA . . 3.090 2.164 2.055 2.324 . 0 0 "[ . 1 . 2]" 2
1004 1 47 LYS HA 1 48 CYS HA . . 5.100 4.379 4.360 4.404 . 0 0 "[ . 1 . 2]" 2
1005 1 47 LYS HA 1 47 LYS HG3 . . 3.540 2.621 2.501 2.766 . 0 0 "[ . 1 . 2]" 2
1006 1 47 LYS HA 1 55 ILE MG . . 4.950 4.536 4.443 4.631 . 0 0 "[ . 1 . 2]" 2
1007 1 54 ALA HA 1 55 ILE H . . 2.960 2.150 2.140 2.185 . 0 0 "[ . 1 . 2]" 2
1008 1 25 PHE HZ 1 54 ALA HA . . 4.120 3.494 2.944 3.867 . 0 0 "[ . 1 . 2]" 2
1009 1 20 PHE QE 1 54 ALA HA . . 5.330 4.933 4.613 5.164 . 0 0 "[ . 1 . 2]" 2
1010 1 47 LYS HB3 1 54 ALA HA . . 4.520 4.338 4.238 4.459 . 0 0 "[ . 1 . 2]" 2
1011 1 47 LYS HG3 1 54 ALA HA . . 4.060 3.547 3.352 3.815 . 0 0 "[ . 1 . 2]" 2
1012 1 54 ALA HA 1 55 ILE MG . . 4.130 3.629 3.542 3.700 . 0 0 "[ . 1 . 2]" 2
1013 1 18 HIS HE1 1 67 CYS HA . . 3.080 2.385 2.269 2.593 . 0 0 "[ . 1 . 2]" 2
1014 1 18 HIS HB3 1 18 HIS HE1 . . 5.060 4.754 4.747 4.769 . 0 0 "[ . 1 . 2]" 2
1015 1 18 HIS HE1 1 53 ALA MB . . 3.760 3.569 3.386 3.764 0.004 18 0 "[ . 1 . 2]" 2
1016 1 18 HIS HE1 1 67 CYS HB2 . . 4.300 3.592 3.398 3.815 . 0 0 "[ . 1 . 2]" 2
1017 1 36 ASP H 1 56 HIS HE1 . . 4.420 2.593 2.229 3.148 . 0 0 "[ . 1 . 2]" 2
1018 1 11 LYS QG 1 13 HIS HE1 . . 4.600 4.306 3.890 4.590 . 0 0 "[ . 1 . 2]" 2
1019 1 11 LYS HE2 1 13 HIS HE1 . . 4.970 3.497 2.561 4.656 . 0 0 "[ . 1 . 2]" 2
1020 1 21 ILE MD 1 49 ARG HD3 . . 3.760 2.059 1.951 2.359 . 0 0 "[ . 1 . 2]" 2
1021 1 13 HIS HB3 1 15 ILE MD . . 3.700 1.799 1.785 1.825 . 0 0 "[ . 1 . 2]" 2
1022 1 38 VAL MG2 1 56 HIS HE1 . . 5.030 2.231 1.857 2.684 . 0 0 "[ . 1 . 2]" 2
1023 1 47 LYS HE2 1 47 LYS HG3 . . 3.920 3.043 2.349 3.666 . 0 0 "[ . 1 . 2]" 2
1024 1 12 ILE MD 1 49 ARG HD3 . . 4.380 2.960 2.570 3.243 . 0 0 "[ . 1 . 2]" 2
1025 1 13 HIS HB2 1 15 ILE HG12 . . 5.500 5.272 5.229 5.318 . 0 0 "[ . 1 . 2]" 2
1026 1 14 TYR HB3 1 15 ILE H . . 4.600 4.403 4.330 4.444 . 0 0 "[ . 1 . 2]" 2
1027 1 15 ILE MG 1 16 LYS HB3 . . 4.690 3.749 3.709 3.777 . 0 0 "[ . 1 . 2]" 2
1028 1 16 LYS HA 1 16 LYS HD2 . . 4.190 3.610 3.249 3.869 . 0 0 "[ . 1 . 2]" 2
1029 1 12 ILE MD 1 19 GLU HB2 . . 5.030 4.860 4.608 5.045 0.015 13 0 "[ . 1 . 2]" 2
1030 1 21 ILE MD 1 49 ARG HD2 . . 3.760 2.045 1.845 2.209 . 0 0 "[ . 1 . 2]" 2
1031 1 23 THR H 1 23 THR MG . . 3.610 2.561 2.496 2.603 . 0 0 "[ . 1 . 2]" 2
1032 1 23 THR MG 1 25 PHE QD . . 4.040 3.134 3.008 3.425 . 0 0 "[ . 1 . 2]" 2
1033 1 24 PHE HA 1 25 PHE HB2 . . 5.010 4.801 4.706 4.947 . 0 0 "[ . 1 . 2]" 2
1034 1 28 PRO HA 1 39 TRP HB3 . . 4.650 2.493 2.000 3.267 . 0 0 "[ . 1 . 2]" 2
1035 1 34 CYS HB2 1 35 LYS H . . 4.800 4.038 3.920 4.246 . 0 0 "[ . 1 . 2]" 2
1036 1 37 PHE HB3 1 39 TRP HB2 . . 5.500 5.128 4.493 5.503 0.003 10 0 "[ . 1 . 2]" 2
1037 1 37 PHE HB3 1 39 TRP HB3 . . 5.500 3.622 3.134 4.053 . 0 0 "[ . 1 . 2]" 2
1038 1 28 PRO HA 1 39 TRP HB2 . . 4.650 3.165 2.026 3.875 . 0 0 "[ . 1 . 2]" 2
1039 1 41 LEU HA 1 41 LEU HG . . 3.680 3.263 2.323 3.740 0.060 17 0 "[ . 1 . 2]" 2
1040 1 41 LEU HB2 1 41 LEU MD1 . . 3.380 2.695 2.018 3.194 . 0 0 "[ . 1 . 2]" 2
1041 1 43 LYS HA 1 43 LYS HD3 . . 5.000 4.041 2.081 4.823 . 0 0 "[ . 1 . 2]" 2
1042 1 47 LYS HG2 1 54 ALA HA . . 5.040 4.914 4.764 5.052 0.012 8 0 "[ . 1 . 2]" 2
1043 1 49 ARG HB3 1 49 ARG HD3 . . 3.900 3.831 3.757 3.872 . 0 0 "[ . 1 . 2]" 2
1044 1 49 ARG HB3 1 49 ARG HD2 . . 3.900 2.755 2.670 2.812 . 0 0 "[ . 1 . 2]" 2
1045 1 49 ARG HB2 1 49 ARG HD3 . . 3.900 3.579 3.559 3.604 . 0 0 "[ . 1 . 2]" 2
1046 1 46 TYR QD 1 57 LYS HG2 . . 4.750 4.134 3.839 4.680 . 0 0 "[ . 1 . 2]" 2
1047 1 46 TYR QE 1 60 ILE H . . 4.830 4.645 4.420 4.848 0.018 13 0 "[ . 1 . 2]" 2
1048 1 52 ASN HB2 1 53 ALA H . . 4.830 4.308 4.253 4.325 . 0 0 "[ . 1 . 2]" 2
1049 1 48 CYS HB2 1 53 ALA MB . . 3.540 3.068 2.745 3.453 . 0 0 "[ . 1 . 2]" 2
1050 1 52 ASN HA 1 53 ALA MB . . 4.600 4.478 4.449 4.546 . 0 0 "[ . 1 . 2]" 2
1051 1 56 HIS HB2 1 57 LYS H . . 4.460 3.874 3.741 4.024 . 0 0 "[ . 1 . 2]" 2
1052 1 56 HIS H 1 56 HIS HB3 . . 3.840 3.614 3.597 3.628 . 0 0 "[ . 1 . 2]" 2
1053 1 55 ILE HG12 1 59 CYS HB3 . . 5.480 5.064 4.756 5.313 . 0 0 "[ . 1 . 2]" 2
1054 1 59 CYS HB3 1 63 ILE HG12 . . 5.500 4.613 4.394 4.836 . 0 0 "[ . 1 . 2]" 2
1055 1 33 VAL H 1 59 CYS HB2 . . 5.420 5.078 4.911 5.288 . 0 0 "[ . 1 . 2]" 2
1056 1 13 HIS HA 1 15 ILE MD . . 4.860 3.129 3.086 3.174 . 0 0 "[ . 1 . 2]" 2
1057 1 20 PHE QE 1 63 ILE MG . . 3.680 3.476 3.204 3.684 0.004 17 0 "[ . 1 . 2]" 2
1058 1 64 ILE HG12 1 64 ILE MG . . 3.330 2.394 1.993 3.200 . 0 0 "[ . 1 . 2]" 2
1059 1 11 LYS HE3 1 11 LYS QG . . 3.700 2.706 2.067 3.361 . 0 0 "[ . 1 . 2]" 2
1060 1 47 LYS HD2 1 52 ASN HA . . 5.300 4.989 4.560 5.307 0.007 8 0 "[ . 1 . 2]" 2
1061 1 11 LYS QD 1 12 ILE H . . 4.990 4.607 4.080 4.995 0.005 20 0 "[ . 1 . 2]" 2
1062 1 24 PHE HA 1 44 GLN QG . . 4.800 3.854 1.980 4.716 . 0 0 "[ . 1 . 2]" 2
1063 1 45 GLY HA2 1 57 LYS HG3 . . 4.610 4.296 3.934 4.608 . 0 0 "[ . 1 . 2]" 2
1064 1 45 GLY HA3 1 57 LYS H . . 4.590 3.813 3.191 4.331 . 0 0 "[ . 1 . 2]" 2
1065 1 20 PHE QE 1 63 ILE MD . . 3.290 2.115 1.911 2.340 . 0 0 "[ . 1 . 2]" 2
1066 1 60 ILE MD 1 63 ILE MD . . 4.460 3.903 3.552 4.218 . 0 0 "[ . 1 . 2]" 2
1067 1 51 CYS HB2 1 53 ALA MB . . 5.000 3.712 3.366 3.995 . 0 0 "[ . 1 . 2]" 2
1068 1 11 LYS HA 1 11 LYS QD . . 4.220 4.073 3.678 4.235 0.015 6 0 "[ . 1 . 2]" 2
1069 1 12 ILE HA 1 21 ILE HG12 . . 4.850 2.441 2.332 2.590 . 0 0 "[ . 1 . 2]" 2
1070 1 12 ILE HG12 1 19 GLU HA . . 5.500 5.155 4.786 5.424 . 0 0 "[ . 1 . 2]" 2
1071 1 12 ILE HG12 1 21 ILE MG . . 4.060 3.929 3.700 4.054 . 0 0 "[ . 1 . 2]" 2
1072 1 12 ILE HG13 1 21 ILE MG . . 5.160 4.882 4.551 5.130 . 0 0 "[ . 1 . 2]" 2
1073 1 12 ILE HG13 1 13 HIS H . . 5.110 5.093 4.957 5.144 0.034 2 0 "[ . 1 . 2]" 2
1074 1 12 ILE HG12 1 12 ILE MG . . 3.360 2.356 2.292 2.452 . 0 0 "[ . 1 . 2]" 2
1075 1 12 ILE MD 1 21 ILE MD . . 3.020 2.397 2.201 2.610 . 0 0 "[ . 1 . 2]" 2
1076 1 13 HIS HB2 1 15 ILE HG13 . . 5.500 5.504 5.480 5.521 0.021 7 0 "[ . 1 . 2]" 2
1077 1 15 ILE HG12 1 15 ILE MG . . 3.530 2.156 2.147 2.166 . 0 0 "[ . 1 . 2]" 2
1078 1 15 ILE MG 1 60 ILE HG12 . . 3.170 2.304 2.016 2.565 . 0 0 "[ . 1 . 2]" 2
1079 1 15 ILE HG13 1 15 ILE MG . . 3.120 2.725 2.716 2.736 . 0 0 "[ . 1 . 2]" 2
1080 1 15 ILE MG 1 16 LYS HG3 . . 3.460 2.788 2.531 2.972 . 0 0 "[ . 1 . 2]" 2
1081 1 15 ILE MG 1 63 ILE HB . . 3.620 3.402 3.017 3.624 0.004 1 0 "[ . 1 . 2]" 2
1082 1 15 ILE MG 1 16 LYS HB2 . . 3.580 2.415 2.345 2.502 . 0 0 "[ . 1 . 2]" 2
1083 1 15 ILE MG 1 18 HIS HB3 . . 4.710 4.730 4.721 4.746 0.036 6 0 "[ . 1 . 2]" 2
1084 1 16 LYS HB3 1 67 CYS H . . 4.820 4.566 3.963 4.824 0.004 3 0 "[ . 1 . 2]" 2
1085 1 16 LYS HB2 1 67 CYS H . . 5.420 5.059 4.380 5.385 . 0 0 "[ . 1 . 2]" 2
1086 1 16 LYS HB3 1 16 LYS HD2 . . 4.010 2.627 2.455 2.790 . 0 0 "[ . 1 . 2]" 2
1087 1 16 LYS HB3 1 16 LYS HD3 . . 4.010 2.593 2.430 2.858 . 0 0 "[ . 1 . 2]" 2
1088 1 15 ILE MG 1 16 LYS HG2 . . 4.090 1.941 1.884 2.010 . 0 0 "[ . 1 . 2]" 2
1089 1 16 LYS HB3 1 16 LYS QE . . 4.560 4.008 3.950 4.116 . 0 0 "[ . 1 . 2]" 2
1090 1 16 LYS QE 1 16 LYS HG2 . . 3.410 2.244 2.089 2.415 . 0 0 "[ . 1 . 2]" 2
1091 1 16 LYS HA 1 17 ASN HA . . 4.870 4.849 4.825 4.868 . 0 0 "[ . 1 . 2]" 2
1092 1 17 ASN HA 1 67 CYS HB3 . . 5.180 5.072 4.947 5.156 . 0 0 "[ . 1 . 2]" 2
1093 1 16 LYS HA 1 17 ASN QB . . 4.930 3.826 3.760 4.497 . 0 0 "[ . 1 . 2]" 2
1094 1 20 PHE HB3 1 46 TYR HB2 . . 4.000 3.510 3.360 3.646 . 0 0 "[ . 1 . 2]" 2
1095 1 20 PHE HB2 1 46 TYR HB2 . . 5.160 4.968 4.790 5.087 . 0 0 "[ . 1 . 2]" 2
1096 1 12 ILE MD 1 21 ILE HG13 . . 4.500 3.643 3.337 3.739 . 0 0 "[ . 1 . 2]" 2
1097 1 21 ILE HG13 1 21 ILE MG . . 3.480 3.194 3.180 3.204 . 0 0 "[ . 1 . 2]" 2
1098 1 21 ILE MG 1 22 ALA MB . . 3.770 3.383 3.316 3.459 . 0 0 "[ . 1 . 2]" 2
1099 1 21 ILE HG12 1 21 ILE MG . . 3.410 2.478 2.381 2.553 . 0 0 "[ . 1 . 2]" 2
1100 1 21 ILE MG 1 49 ARG HD3 . . 4.830 4.780 4.566 4.887 0.057 13 0 "[ . 1 . 2]" 2
1101 1 21 ILE MG 1 23 THR HB . . 4.740 3.305 3.074 3.497 . 0 0 "[ . 1 . 2]" 2
1102 1 12 ILE HG13 1 21 ILE MD . . 3.730 3.326 3.151 3.574 . 0 0 "[ . 1 . 2]" 2
1103 1 21 ILE MD 1 49 ARG HB2 . . 4.110 3.896 3.743 4.115 0.005 8 0 "[ . 1 . 2]" 2
1104 1 21 ILE MD 1 21 ILE MG . . 3.190 1.920 1.847 2.021 . 0 0 "[ . 1 . 2]" 2
1105 1 21 ILE MD 1 49 ARG HA . . 5.300 5.124 4.924 5.295 . 0 0 "[ . 1 . 2]" 2
1106 1 21 ILE HA 1 22 ALA HA . . 4.780 4.356 4.342 4.366 . 0 0 "[ . 1 . 2]" 2
1107 1 11 LYS QB 1 22 ALA MB . . 5.340 4.957 3.882 5.344 0.004 6 0 "[ . 1 . 2]" 2
1108 1 11 LYS QD 1 22 ALA MB . . 5.270 4.626 2.928 5.240 . 0 0 "[ . 1 . 2]" 2
1109 1 21 ILE HG12 1 22 ALA MB . . 5.500 5.256 5.167 5.309 . 0 0 "[ . 1 . 2]" 2
1110 1 23 THR HB 1 25 PHE HZ . . 5.140 4.625 4.394 5.103 . 0 0 "[ . 1 . 2]" 2
1111 1 23 THR MG 1 47 LYS HG2 . . 4.050 3.656 3.505 3.864 . 0 0 "[ . 1 . 2]" 2
1112 1 21 ILE MG 1 23 THR MG . . 4.580 4.385 4.222 4.586 0.006 10 0 "[ . 1 . 2]" 2
1113 1 23 THR MG 1 25 PHE H . . 4.820 3.829 2.988 4.446 . 0 0 "[ . 1 . 2]" 2
1114 1 28 PRO HA 1 29 THR HB . . 5.290 4.886 4.656 5.049 . 0 0 "[ . 1 . 2]" 2
1115 1 25 PHE QD 1 29 THR HB . . 4.940 4.107 3.379 4.757 . 0 0 "[ . 1 . 2]" 2
1116 1 29 THR MG 1 38 VAL HB . . 4.780 4.080 1.946 4.782 0.002 9 0 "[ . 1 . 2]" 2
1117 1 29 THR MG 1 38 VAL MG2 . . 4.610 3.459 1.918 4.118 . 0 0 "[ . 1 . 2]" 2
1118 1 30 PHE QB 1 35 LYS HA . . 5.340 5.103 4.856 5.301 . 0 0 "[ . 1 . 2]" 2
1119 1 31 CYS HA 1 32 SER HA . . 4.540 4.372 4.363 4.383 . 0 0 "[ . 1 . 2]" 2
1120 1 31 CYS HB2 1 36 ASP QB . . 4.900 4.376 3.522 4.910 0.010 16 0 "[ . 1 . 2]" 2
1121 1 31 CYS HB2 1 38 VAL MG1 . . 4.950 3.958 3.718 4.146 . 0 0 "[ . 1 . 2]" 2
1122 1 31 CYS HB2 1 35 LYS HA . . 4.970 3.842 3.608 4.244 . 0 0 "[ . 1 . 2]" 2
1123 1 31 CYS HB3 1 38 VAL MG1 . . 5.500 5.419 5.197 5.512 0.012 15 0 "[ . 1 . 2]" 2
1124 1 33 VAL MG2 1 63 ILE HG12 . . 3.390 2.202 1.987 2.414 . 0 0 "[ . 1 . 2]" 2
1125 1 33 VAL MG2 1 63 ILE HG13 . . 3.350 2.387 2.081 2.682 . 0 0 "[ . 1 . 2]" 2
1126 1 33 VAL MG2 1 63 ILE MD . . 3.280 3.105 2.914 3.244 . 0 0 "[ . 1 . 2]" 2
1127 1 33 VAL MG1 1 59 CYS H . . 5.080 4.897 4.635 5.081 0.001 1 0 "[ . 1 . 2]" 2
1128 1 33 VAL MG1 1 62 LYS HG3 . . 4.050 3.122 2.851 3.597 . 0 0 "[ . 1 . 2]" 2
1129 1 33 VAL MG1 1 62 LYS HG2 . . 4.240 4.016 3.834 4.252 0.012 10 0 "[ . 1 . 2]" 2
1130 1 33 VAL MG1 1 55 ILE MG . . 4.600 4.457 4.342 4.602 0.002 8 0 "[ . 1 . 2]" 2
1131 1 35 LYS HB2 1 35 LYS QE . . 4.830 3.462 2.200 4.102 . 0 0 "[ . 1 . 2]" 2
1132 1 35 LYS HB3 1 35 LYS QE . . 4.830 3.553 1.983 4.363 . 0 0 "[ . 1 . 2]" 2
1133 1 35 LYS HB2 1 35 LYS QD . . 3.770 2.470 2.077 3.214 . 0 0 "[ . 1 . 2]" 2
1134 1 35 LYS HB3 1 35 LYS QD . . 3.770 2.543 2.078 3.221 . 0 0 "[ . 1 . 2]" 2
1135 1 25 PHE QE 1 47 LYS HG3 . . 4.790 3.915 3.573 4.298 . 0 0 "[ . 1 . 2]" 2
1136 1 25 PHE HZ 1 47 LYS HG3 . . 4.920 4.618 4.387 4.901 . 0 0 "[ . 1 . 2]" 2
1137 1 31 CYS HB3 1 36 ASP QB . . 4.300 3.997 3.700 4.187 . 0 0 "[ . 1 . 2]" 2
1138 1 24 PHE HA 1 44 GLN HA . . 4.170 3.538 2.322 4.155 . 0 0 "[ . 1 . 2]" 2
1139 1 47 LYS HA 1 47 LYS HD3 . . 5.250 4.782 4.561 5.076 . 0 0 "[ . 1 . 2]" 2
1140 1 47 LYS HA 1 47 LYS HD2 . . 5.250 4.111 3.943 4.565 . 0 0 "[ . 1 . 2]" 2
1141 1 49 ARG HG3 1 50 GLN HG3 . . 4.670 3.753 2.885 4.054 . 0 0 "[ . 1 . 2]" 2
1142 1 49 ARG HG3 1 50 GLN HG2 . . 4.670 2.537 2.340 3.139 . 0 0 "[ . 1 . 2]" 2
1143 1 32 SER HB2 1 53 ALA MB . . 3.980 3.587 3.104 3.883 . 0 0 "[ . 1 . 2]" 2
1144 1 51 CYS HB3 1 53 ALA MB . . 5.000 4.520 4.358 4.649 . 0 0 "[ . 1 . 2]" 2
1145 1 53 ALA MB 1 55 ILE H . . 5.210 4.930 4.737 5.207 . 0 0 "[ . 1 . 2]" 2
1146 1 47 LYS HB2 1 54 ALA MB . . 4.400 2.604 2.326 2.846 . 0 0 "[ . 1 . 2]" 2
1147 1 47 LYS HB3 1 54 ALA MB . . 4.330 4.153 3.936 4.330 0.000 17 0 "[ . 1 . 2]" 2
1148 1 47 LYS HG3 1 54 ALA MB . . 3.810 3.374 3.074 3.750 . 0 0 "[ . 1 . 2]" 2
1149 1 31 CYS HA 1 55 ILE HA . . 3.520 3.060 2.885 3.365 . 0 0 "[ . 1 . 2]" 2
1150 1 46 TYR QD 1 55 ILE MG . . 5.500 5.504 5.445 5.522 0.022 20 0 "[ . 1 . 2]" 2
1151 1 45 GLY HA2 1 57 LYS HA . . 4.400 3.870 3.546 4.198 . 0 0 "[ . 1 . 2]" 2
1152 1 57 LYS HA 1 57 LYS QE . . 5.080 4.507 4.164 4.875 . 0 0 "[ . 1 . 2]" 2
1153 1 45 GLY HA2 1 57 LYS HB2 . . 5.020 2.870 2.560 3.265 . 0 0 "[ . 1 . 2]" 2
1154 1 57 LYS HB3 1 57 LYS QE . . 4.970 3.315 2.008 4.050 . 0 0 "[ . 1 . 2]" 2
1155 1 57 LYS HB2 1 57 LYS QD . . 3.450 2.674 2.318 3.216 . 0 0 "[ . 1 . 2]" 2
1156 1 57 LYS HB3 1 57 LYS QD . . 3.450 2.291 2.056 2.624 . 0 0 "[ . 1 . 2]" 2
1157 1 15 ILE MG 1 60 ILE HG13 . . 4.290 3.373 3.184 3.559 . 0 0 "[ . 1 . 2]" 2
1158 1 55 ILE MD 1 60 ILE HG12 . . 3.890 3.542 3.426 3.701 . 0 0 "[ . 1 . 2]" 2
1159 1 15 ILE HG12 1 60 ILE HG13 . . 4.990 4.625 4.343 4.911 . 0 0 "[ . 1 . 2]" 2
1160 1 55 ILE HG12 1 60 ILE HG13 . . 5.490 4.214 4.066 4.413 . 0 0 "[ . 1 . 2]" 2
1161 1 15 ILE MG 1 60 ILE MG . . 4.010 3.626 3.408 3.809 . 0 0 "[ . 1 . 2]" 2
1162 1 15 ILE HG12 1 60 ILE MG . . 4.200 3.540 3.312 3.781 . 0 0 "[ . 1 . 2]" 2
1163 1 60 ILE MG 1 63 ILE HB . . 5.500 5.376 5.205 5.510 0.010 4 0 "[ . 1 . 2]" 2
1164 1 57 LYS QD 1 60 ILE MG . . 5.500 5.306 3.821 5.499 . 0 0 "[ . 1 . 2]" 2
1165 1 60 ILE MG 1 63 ILE HG13 . . 5.500 4.998 4.471 5.428 . 0 0 "[ . 1 . 2]" 2
1166 1 60 ILE MG 1 61 ASP HB3 . . 4.380 3.941 3.088 4.237 . 0 0 "[ . 1 . 2]" 2
1167 1 55 ILE HG13 1 60 ILE MD . . 4.970 4.610 4.407 4.795 . 0 0 "[ . 1 . 2]" 2
1168 1 15 ILE MD 1 60 ILE MD . . 3.350 2.042 1.925 2.320 . 0 0 "[ . 1 . 2]" 2
1169 1 20 PHE H 1 60 ILE MD . . 5.500 4.852 4.524 5.136 . 0 0 "[ . 1 . 2]" 2
1170 1 59 CYS HB3 1 62 LYS HB2 . . 4.150 3.648 3.432 3.974 . 0 0 "[ . 1 . 2]" 2
1171 1 62 LYS QE 1 62 LYS HG3 . . 3.620 2.289 2.103 2.658 . 0 0 "[ . 1 . 2]" 2
1172 1 55 ILE MD 1 63 ILE HA . . 5.240 4.767 4.503 5.037 . 0 0 "[ . 1 . 2]" 2
1173 1 63 ILE HA 1 64 ILE HB . . 4.690 4.539 4.405 4.679 . 0 0 "[ . 1 . 2]" 2
1174 1 55 ILE MG 1 63 ILE HG12 . . 4.940 3.411 3.096 3.629 . 0 0 "[ . 1 . 2]" 2
1175 1 55 ILE MG 1 63 ILE HG13 . . 5.400 4.006 3.642 4.551 . 0 0 "[ . 1 . 2]" 2
1176 1 16 LYS HG3 1 63 ILE MG . . 3.170 2.144 1.862 2.635 . 0 0 "[ . 1 . 2]" 2
1177 1 16 LYS HB2 1 63 ILE MG . . 3.430 2.944 2.490 3.201 . 0 0 "[ . 1 . 2]" 2
1178 1 16 LYS HB3 1 63 ILE MG . . 3.750 3.165 2.835 3.471 . 0 0 "[ . 1 . 2]" 2
1179 1 63 ILE HG12 1 63 ILE MG . . 3.120 2.340 2.306 2.414 . 0 0 "[ . 1 . 2]" 2
1180 1 64 ILE HG13 1 64 ILE MG . . 3.330 2.964 2.278 3.195 . 0 0 "[ . 1 . 2]" 2
1181 1 15 ILE HB 1 63 ILE MD . . 4.850 4.430 3.981 4.742 . 0 0 "[ . 1 . 2]" 2
1182 1 16 LYS HB2 1 63 ILE MD . . 4.430 3.626 3.329 4.035 . 0 0 "[ . 1 . 2]" 2
1183 1 63 ILE HB 1 63 ILE MD . . 3.390 2.426 2.374 2.502 . 0 0 "[ . 1 . 2]" 2
1184 1 53 ALA MB 1 63 ILE MD . . 4.320 4.139 3.970 4.322 0.002 12 0 "[ . 1 . 2]" 2
1185 1 15 ILE MG 1 63 ILE MD . . 3.510 2.889 2.508 3.195 . 0 0 "[ . 1 . 2]" 2
1186 1 63 ILE MD 1 63 ILE MG . . 2.830 1.935 1.902 1.985 . 0 0 "[ . 1 . 2]" 2
1187 1 16 LYS QE 1 63 ILE MD . . 5.400 5.003 4.718 5.369 . 0 0 "[ . 1 . 2]" 2
1188 1 18 HIS HB2 1 63 ILE MD . . 5.500 4.289 4.075 4.572 . 0 0 "[ . 1 . 2]" 2
1189 1 63 ILE HA 1 63 ILE MG . . 3.150 2.451 2.354 2.514 . 0 0 "[ . 1 . 2]" 2
1190 1 64 ILE MG 1 65 GLY H . . 4.770 3.266 2.760 3.700 . 0 0 "[ . 1 . 2]" 2
1191 1 65 GLY HA2 1 66 ARG HG3 . . 5.430 3.623 3.227 4.469 . 0 0 "[ . 1 . 2]" 2
1192 1 65 GLY HA3 1 66 ARG HG3 . . 5.430 4.544 4.005 5.430 0.000 18 0 "[ . 1 . 2]" 2
1193 1 65 GLY HA3 1 66 ARG QB . . 4.890 4.667 4.516 4.889 . 0 0 "[ . 1 . 2]" 2
1194 1 68 THR HA 1 68 THR HB . . 2.890 2.462 2.412 2.524 . 0 0 "[ . 1 . 2]" 2
1195 1 18 HIS HE1 1 68 THR MG . . 5.290 4.418 3.943 5.252 . 0 0 "[ . 1 . 2]" 2
1196 1 68 THR MG 1 70 THR H . . 5.500 4.936 3.778 5.493 . 0 0 "[ . 1 . 2]" 2
1197 1 70 THR HA 1 71 ALA MB . . 4.640 3.952 3.715 4.649 0.009 16 0 "[ . 1 . 2]" 2
1198 1 50 GLN HB3 1 70 THR HA . . 4.820 4.253 2.477 4.821 0.001 13 0 "[ . 1 . 2]" 2
1199 1 43 LYS HA 1 43 LYS HD2 . . 5.000 3.895 2.318 4.818 . 0 0 "[ . 1 . 2]" 2
1200 1 47 LYS HG2 1 49 ARG H . . 5.500 4.568 4.288 4.784 . 0 0 "[ . 1 . 2]" 2
1201 1 25 PHE QE 1 47 LYS HG2 . . 4.930 4.232 3.746 4.632 . 0 0 "[ . 1 . 2]" 2
1202 1 62 LYS HG2 1 63 ILE H . . 5.400 4.388 4.219 4.658 . 0 0 "[ . 1 . 2]" 2
1203 1 41 LEU HB3 1 41 LEU MD2 . . 3.380 2.696 2.051 3.194 . 0 0 "[ . 1 . 2]" 2
1204 1 24 PHE QD 1 44 GLN HB3 . . 5.120 2.682 1.994 4.779 . 0 0 "[ . 1 . 2]" 2
1205 1 62 LYS HB2 1 63 ILE HA . . 5.050 4.268 4.137 4.556 . 0 0 "[ . 1 . 2]" 2
1206 1 62 LYS H 1 63 ILE HA . . 5.150 4.665 4.484 4.781 . 0 0 "[ . 1 . 2]" 2
1207 1 33 VAL H 1 63 ILE MD . . 5.500 5.487 5.376 5.510 0.010 16 0 "[ . 1 . 2]" 2
1208 1 62 LYS H 1 63 ILE MD . . 5.070 4.548 4.384 4.701 . 0 0 "[ . 1 . 2]" 2
1209 1 43 LYS HB3 1 43 LYS HD2 . . 4.030 3.054 2.087 3.912 . 0 0 "[ . 1 . 2]" 2
1210 1 43 LYS HB3 1 43 LYS HD3 . . 4.030 3.163 2.269 4.070 0.040 17 0 "[ . 1 . 2]" 2
1211 1 43 LYS HB2 1 43 LYS HD3 . . 4.030 3.131 2.161 3.963 . 0 0 "[ . 1 . 2]" 2
1212 1 43 LYS HB2 1 43 LYS HD2 . . 4.030 2.853 2.050 3.676 . 0 0 "[ . 1 . 2]" 2
1213 1 58 LYS QB 1 58 LYS QD . . 3.160 2.127 2.027 2.226 . 0 0 "[ . 1 . 2]" 2
1214 1 63 ILE MG 1 65 GLY H . . 4.990 3.033 2.376 3.583 . 0 0 "[ . 1 . 2]" 2
1215 1 31 CYS HB3 1 35 LYS HA . . 4.640 2.263 1.994 2.597 . 0 0 "[ . 1 . 2]" 2
1216 1 12 ILE HA 1 13 HIS HB2 . . 4.880 4.771 4.734 4.803 . 0 0 "[ . 1 . 2]" 2
1217 1 13 HIS HD2 1 21 ILE HA . . 4.680 2.939 2.802 3.223 . 0 0 "[ . 1 . 2]" 2
1218 1 11 LYS QG 1 13 HIS HD2 . . 5.080 3.310 2.975 3.558 . 0 0 "[ . 1 . 2]" 2
1219 1 11 LYS QD 1 13 HIS HE1 . . 4.720 4.346 3.279 4.725 0.005 19 0 "[ . 1 . 2]" 2
1220 1 15 ILE MD 1 15 ILE MG . . 3.070 3.098 3.087 3.110 0.040 4 0 "[ . 1 . 2]" 2
1221 1 9 GLN QB 1 10 ALA MB . . 4.950 4.531 4.234 4.866 . 0 0 "[ . 1 . 2]" 2
1222 1 11 LYS QB 1 11 LYS QE . . 3.990 3.422 2.837 3.677 . 0 0 "[ . 1 . 2]" 2
1223 1 11 LYS QE 1 11 LYS QG . . 3.180 2.175 2.033 2.353 . 0 0 "[ . 1 . 2]" 2
1224 1 11 LYS QE 1 13 HIS HE1 . . 4.260 2.960 2.408 3.991 . 0 0 "[ . 1 . 2]" 2
1225 1 11 LYS QE 1 22 ALA MB . . 4.330 3.930 3.433 4.330 . 0 0 "[ . 1 . 2]" 2
1226 1 11 LYS QE 1 46 TYR QE . . 4.780 4.457 4.080 4.784 0.004 14 0 "[ . 1 . 2]" 2
1227 1 12 ILE MG 1 19 GLU QB . . 3.300 2.388 2.147 2.555 . 0 0 "[ . 1 . 2]" 2
1228 1 12 ILE MG 1 19 GLU QG . . 3.470 2.265 1.927 2.785 . 0 0 "[ . 1 . 2]" 2
1229 1 12 ILE MD 1 19 GLU QG . . 4.210 3.258 2.749 3.723 . 0 0 "[ . 1 . 2]" 2
1230 1 12 ILE MD 1 49 ARG QD . . 3.710 2.897 2.531 3.160 . 0 0 "[ . 1 . 2]" 2
1231 1 14 TYR HA 1 19 GLU QG . . 4.700 4.346 3.993 4.701 0.001 8 0 "[ . 1 . 2]" 2
1232 1 14 TYR QD 1 19 GLU QB . . 5.340 4.887 4.698 5.055 . 0 0 "[ . 1 . 2]" 2
1233 1 14 TYR QD 1 19 GLU QG . . 3.410 3.243 2.951 3.422 0.012 18 0 "[ . 1 . 2]" 2
1234 1 14 TYR QE 1 19 GLU QB . . 5.320 4.716 4.382 4.944 . 0 0 "[ . 1 . 2]" 2
1235 1 14 TYR QE 1 19 GLU QG . . 3.310 2.974 2.446 3.312 0.002 13 0 "[ . 1 . 2]" 2
1236 1 16 LYS HA 1 16 LYS QD . . 3.640 2.178 1.988 2.455 . 0 0 "[ . 1 . 2]" 2
1237 1 16 LYS HB2 1 16 LYS QD . . 3.570 3.270 3.222 3.300 . 0 0 "[ . 1 . 2]" 2
1238 1 16 LYS HB3 1 16 LYS QD . . 3.390 2.315 2.236 2.381 . 0 0 "[ . 1 . 2]" 2
1239 1 16 LYS QD 1 63 ILE MG . . 3.670 2.956 2.541 3.240 . 0 0 "[ . 1 . 2]" 2
1240 1 16 LYS QD 1 64 ILE HA . . 5.340 3.143 2.421 3.653 . 0 0 "[ . 1 . 2]" 2
1241 1 17 ASN HA 1 17 ASN QD . . 4.520 3.585 1.952 4.151 . 0 0 "[ . 1 . 2]" 2
1242 1 17 ASN QD 1 66 ARG QB . . 4.790 3.734 2.221 4.813 0.023 11 0 "[ . 1 . 2]" 2
1243 1 17 ASN QD 1 67 CYS HB3 . . 4.670 4.133 2.812 4.709 0.039 13 0 "[ . 1 . 2]" 2
1244 1 19 GLU H 1 19 GLU QB . . 3.440 2.530 2.426 2.625 . 0 0 "[ . 1 . 2]" 2
1245 1 19 GLU H 1 19 GLU QG . . 4.070 3.681 3.118 4.053 . 0 0 "[ . 1 . 2]" 2
1246 1 19 GLU H 1 50 GLN QG . . 4.660 3.665 3.364 3.905 . 0 0 "[ . 1 . 2]" 2
1247 1 19 GLU HA 1 19 GLU QG . . 3.150 2.294 2.122 2.521 . 0 0 "[ . 1 . 2]" 2
1248 1 19 GLU QB 1 20 PHE H . . 3.980 3.767 3.711 3.810 . 0 0 "[ . 1 . 2]" 2
1249 1 19 GLU QB 1 49 ARG H . . 4.020 3.244 2.983 3.510 . 0 0 "[ . 1 . 2]" 2
1250 1 19 GLU QB 1 50 GLN QG . . 3.180 1.961 1.761 2.183 . 0 0 "[ . 1 . 2]" 2
1251 1 19 GLU QG 1 50 GLN QG . . 3.990 2.520 1.963 3.380 . 0 0 "[ . 1 . 2]" 2
1252 1 21 ILE MG 1 49 ARG QB . . 4.810 4.076 3.919 4.383 . 0 0 "[ . 1 . 2]" 2
1253 1 21 ILE MG 1 49 ARG QD . . 4.020 3.872 3.732 4.024 0.004 7 0 "[ . 1 . 2]" 2
1254 1 21 ILE MD 1 49 ARG QD . . 3.240 1.817 1.727 1.956 . 0 0 "[ . 1 . 2]" 2
1255 1 23 THR HA 1 24 PHE QB . . 4.290 4.012 3.978 4.066 . 0 0 "[ . 1 . 2]" 2
1256 1 23 THR MG 1 24 PHE QB . . 5.340 4.626 4.400 4.738 . 0 0 "[ . 1 . 2]" 2
1257 1 24 PHE H 1 24 PHE QB . . 3.510 2.367 2.284 2.439 . 0 0 "[ . 1 . 2]" 2
1258 1 24 PHE QB 1 44 GLN QB . . 4.170 3.615 2.931 4.170 . 0 0 "[ . 1 . 2]" 2
1259 1 24 PHE QB 1 44 GLN QG . . 5.110 4.385 2.647 5.118 0.008 20 0 "[ . 1 . 2]" 2
1260 1 24 PHE QD 1 44 GLN QB . . 4.280 2.243 1.954 3.141 . 0 0 "[ . 1 . 2]" 2
1261 1 24 PHE QE 1 26 GLY QA . . 4.860 2.923 2.271 3.773 . 0 0 "[ . 1 . 2]" 2
1262 1 24 PHE QE 1 44 GLN QB . . 4.200 3.523 2.956 4.065 . 0 0 "[ . 1 . 2]" 2
1263 1 24 PHE HZ 1 26 GLY QA . . 4.970 4.190 2.741 4.973 0.003 7 0 "[ . 1 . 2]" 2
1264 1 25 PHE QE 1 47 LYS QD . . 4.090 2.028 1.885 2.515 . 0 0 "[ . 1 . 2]" 2
1265 1 27 GLN H 1 27 GLN QB . . 3.270 2.678 2.278 3.068 . 0 0 "[ . 1 . 2]" 2
1266 1 27 GLN H 1 27 GLN QG . . 3.620 2.600 1.889 3.548 . 0 0 "[ . 1 . 2]" 2
1267 1 27 GLN QB 1 28 PRO HD3 . . 3.980 3.326 3.294 3.369 . 0 0 "[ . 1 . 2]" 2
1268 1 27 GLN QG 1 28 PRO HD2 . . 4.210 3.432 2.548 4.121 . 0 0 "[ . 1 . 2]" 2
1269 1 28 PRO HA 1 39 TRP QB . . 3.900 2.252 1.978 2.542 . 0 0 "[ . 1 . 2]" 2
1270 1 28 PRO QB 1 39 TRP QB . . 5.320 2.094 1.859 2.684 . 0 0 "[ . 1 . 2]" 2
1271 1 30 PHE HZ 1 35 LYS QB . . 4.250 2.440 2.042 3.307 . 0 0 "[ . 1 . 2]" 2
1272 1 32 SER HA 1 35 LYS QG . . 4.580 2.793 2.508 3.769 . 0 0 "[ . 1 . 2]" 2
1273 1 33 VAL MG1 1 62 LYS QD . . 4.480 4.038 3.700 4.507 0.027 2 0 "[ . 1 . 2]" 2
1274 1 35 LYS H 1 35 LYS QB . . 3.690 3.365 3.192 3.458 . 0 0 "[ . 1 . 2]" 2
1275 1 35 LYS H 1 35 LYS QG . . 3.730 2.785 2.657 3.070 . 0 0 "[ . 1 . 2]" 2
1276 1 35 LYS HA 1 35 LYS QG . . 3.490 2.490 2.288 2.835 . 0 0 "[ . 1 . 2]" 2
1277 1 35 LYS QB 1 35 LYS QD . . 3.220 2.119 2.039 2.280 . 0 0 "[ . 1 . 2]" 2
1278 1 35 LYS QB 1 35 LYS QE . . 4.230 3.058 1.957 3.686 . 0 0 "[ . 1 . 2]" 2
1279 1 37 PHE H 1 37 PHE QB . . 3.580 2.785 2.510 2.907 . 0 0 "[ . 1 . 2]" 2
1280 1 37 PHE QB 1 39 TRP QB . . 3.940 3.289 2.951 3.614 . 0 0 "[ . 1 . 2]" 2
1281 1 41 LEU HA 1 41 LEU QD . . 2.940 2.174 1.898 2.990 0.050 17 0 "[ . 1 . 2]" 2
1282 1 41 LEU QB 1 41 LEU QD . . 2.630 1.948 1.818 2.049 . 0 0 "[ . 1 . 2]" 2
1283 1 43 LYS HA 1 43 LYS QG . . 3.460 2.433 2.192 2.801 . 0 0 "[ . 1 . 2]" 2
1284 1 43 LYS HA 1 43 LYS QD . . 4.170 3.463 2.060 4.145 . 0 0 "[ . 1 . 2]" 2
1285 1 43 LYS QB 1 43 LYS QD . . 2.990 2.136 2.012 2.286 . 0 0 "[ . 1 . 2]" 2
1286 1 43 LYS QB 1 43 LYS QE . . 4.490 3.256 1.978 3.726 . 0 0 "[ . 1 . 2]" 2
1287 1 43 LYS QE 1 43 LYS QG . . 3.140 2.242 2.056 2.566 . 0 0 "[ . 1 . 2]" 2
1288 1 44 GLN H 1 44 GLN QB . . 3.640 2.573 2.149 3.322 . 0 0 "[ . 1 . 2]" 2
1289 1 44 GLN QB 1 45 GLY H . . 3.430 2.638 2.116 3.458 0.028 14 0 "[ . 1 . 2]" 2
1290 1 45 GLY HA2 1 57 LYS QB . . 4.230 2.838 2.532 3.219 . 0 0 "[ . 1 . 2]" 2
1291 1 46 TYR QD 1 57 LYS QB . . 4.730 4.177 3.996 4.307 . 0 0 "[ . 1 . 2]" 2
1292 1 46 TYR QE 1 57 LYS QB . . 3.810 3.541 3.345 3.669 . 0 0 "[ . 1 . 2]" 2
1293 1 47 LYS HA 1 47 LYS QD . . 4.580 3.884 3.723 4.253 . 0 0 "[ . 1 . 2]" 2
1294 1 47 LYS HB2 1 47 LYS QD . . 3.620 2.225 2.120 2.561 . 0 0 "[ . 1 . 2]" 2
1295 1 47 LYS HB2 1 47 LYS QE . . 4.100 3.796 2.395 4.055 . 0 0 "[ . 1 . 2]" 2
1296 1 47 LYS HB3 1 47 LYS QE . . 4.760 4.086 3.556 4.300 . 0 0 "[ . 1 . 2]" 2
1297 1 47 LYS QE 1 47 LYS HG2 . . 3.400 2.612 2.291 3.227 . 0 0 "[ . 1 . 2]" 2
1298 1 47 LYS QE 1 47 LYS HG3 . . 3.400 2.370 2.097 2.673 . 0 0 "[ . 1 . 2]" 2
1299 1 47 LYS QD 1 52 ASN HA . . 4.630 4.451 3.935 4.578 . 0 0 "[ . 1 . 2]" 2
1300 1 47 LYS QE 1 52 ASN HA . . 3.840 2.872 2.613 3.434 . 0 0 "[ . 1 . 2]" 2
1301 1 49 ARG H 1 49 ARG QB . . 3.260 2.731 2.677 2.847 . 0 0 "[ . 1 . 2]" 2
1302 1 49 ARG HA 1 49 ARG QD . . 4.580 4.519 4.469 4.578 . 0 0 "[ . 1 . 2]" 2
1303 1 49 ARG QB 1 49 ARG QD . . 2.920 2.350 2.281 2.469 . 0 0 "[ . 1 . 2]" 2
1304 1 49 ARG HG3 1 50 GLN QG . . 3.910 2.444 2.323 2.701 . 0 0 "[ . 1 . 2]" 2
1305 1 50 GLN H 1 50 GLN QG . . 3.150 2.647 2.485 2.749 . 0 0 "[ . 1 . 2]" 2
1306 1 50 GLN HA 1 50 GLN QG . . 3.520 2.692 2.389 2.824 . 0 0 "[ . 1 . 2]" 2
1307 1 50 GLN HB2 1 69 GLY QA . . 4.320 3.697 2.969 4.344 0.024 13 0 "[ . 1 . 2]" 2
1308 1 50 GLN HB3 1 50 GLN QE . . 4.380 3.158 2.049 3.946 . 0 0 "[ . 1 . 2]" 2
1309 1 50 GLN HB3 1 69 GLY QA . . 4.030 2.842 1.992 3.660 . 0 0 "[ . 1 . 2]" 2
1310 1 50 GLN QG 1 51 CYS H . . 3.820 3.796 3.538 3.857 0.037 20 0 "[ . 1 . 2]" 2
1311 1 51 CYS H 1 51 CYS QB . . 3.350 2.811 2.733 2.889 . 0 0 "[ . 1 . 2]" 2
1312 1 51 CYS QB 1 52 ASN H . . 3.890 3.758 3.706 3.845 . 0 0 "[ . 1 . 2]" 2
1313 1 51 CYS QB 1 53 ALA H . . 4.730 4.404 4.137 4.563 . 0 0 "[ . 1 . 2]" 2
1314 1 51 CYS QB 1 68 THR H . . 4.100 3.046 2.828 3.423 . 0 0 "[ . 1 . 2]" 2
1315 1 51 CYS QB 1 69 GLY H . . 3.410 2.823 2.301 3.417 0.007 7 0 "[ . 1 . 2]" 2
1316 1 51 CYS QB 1 69 GLY QA . . 4.290 3.085 2.222 4.237 . 0 0 "[ . 1 . 2]" 2
1317 1 52 ASN HB3 1 52 ASN QD . . 3.210 2.508 2.123 2.915 . 0 0 "[ . 1 . 2]" 2
1318 1 56 HIS HA 1 57 LYS QB . . 5.240 4.162 4.134 4.184 . 0 0 "[ . 1 . 2]" 2
1319 1 56 HIS HB2 1 58 LYS QE . . 4.520 3.700 3.419 4.146 . 0 0 "[ . 1 . 2]" 2
1320 1 56 HIS HB3 1 58 LYS QE . . 5.340 3.580 2.805 4.669 . 0 0 "[ . 1 . 2]" 2
1321 1 57 LYS QB 1 57 LYS QD . . 3.000 2.150 2.031 2.285 . 0 0 "[ . 1 . 2]" 2
1322 1 57 LYS QB 1 57 LYS QE . . 4.360 3.023 1.994 3.682 . 0 0 "[ . 1 . 2]" 2
1323 1 57 LYS QB 1 58 LYS HA . . 5.110 4.132 4.049 4.268 . 0 0 "[ . 1 . 2]" 2
1324 1 58 LYS QE 1 58 LYS HG3 . . 3.420 2.631 2.105 3.253 . 0 0 "[ . 1 . 2]" 2
1325 1 60 ILE MG 1 61 ASP QB . . 3.750 3.054 2.623 3.408 . 0 0 "[ . 1 . 2]" 2
1326 1 61 ASP H 1 61 ASP QB . . 3.280 2.389 2.228 2.878 . 0 0 "[ . 1 . 2]" 2
1327 1 61 ASP QB 1 62 LYS H . . 3.910 3.447 3.357 3.773 . 0 0 "[ . 1 . 2]" 2
1328 1 61 ASP QB 1 62 LYS HG2 . . 4.350 3.367 3.195 3.600 . 0 0 "[ . 1 . 2]" 2
1329 1 61 ASP QB 1 62 LYS HG3 . . 5.140 4.928 4.670 5.170 0.030 10 0 "[ . 1 . 2]" 2
1330 1 62 LYS H 1 62 LYS QD . . 4.370 4.052 3.787 4.226 . 0 0 "[ . 1 . 2]" 2
1331 1 62 LYS HA 1 62 LYS QD . . 3.630 2.312 1.996 2.570 . 0 0 "[ . 1 . 2]" 2
1332 1 62 LYS HB2 1 62 LYS QD . . 3.640 3.317 3.236 3.466 . 0 0 "[ . 1 . 2]" 2
1333 1 63 ILE HA 1 64 ILE QG . . 4.440 3.611 3.398 4.133 . 0 0 "[ . 1 . 2]" 2
1334 1 63 ILE MG 1 65 GLY QA . . 4.960 3.789 3.564 4.059 . 0 0 "[ . 1 . 2]" 2
1335 1 64 ILE H 1 64 ILE QG . . 3.720 2.982 2.623 3.345 . 0 0 "[ . 1 . 2]" 2
1336 1 64 ILE HA 1 64 ILE QG . . 3.240 2.522 2.345 2.965 . 0 0 "[ . 1 . 2]" 2
1337 1 64 ILE HA 1 65 GLY QA . . 5.030 4.125 3.898 4.478 . 0 0 "[ . 1 . 2]" 2
1338 1 64 ILE MG 1 65 GLY QA . . 3.990 3.342 3.072 3.576 . 0 0 "[ . 1 . 2]" 2
1339 1 65 GLY QA 1 66 ARG H . . 2.890 2.221 2.125 2.284 . 0 0 "[ . 1 . 2]" 2
1340 1 65 GLY QA 1 66 ARG HG2 . . 5.340 4.705 4.349 5.362 0.022 18 0 "[ . 1 . 2]" 2
1341 1 65 GLY QA 1 66 ARG HG3 . . 4.690 3.486 3.110 4.268 . 0 0 "[ . 1 . 2]" 2
1342 1 68 THR H 1 69 GLY QA . . 4.840 4.110 3.891 4.372 . 0 0 "[ . 1 . 2]" 2
1343 1 69 GLY QA 1 70 THR H . . 3.080 2.574 2.118 2.816 . 0 0 "[ . 1 . 2]" 2
1344 1 69 GLY QA 1 70 THR MG . . 4.560 3.893 3.269 4.398 . 0 0 "[ . 1 . 2]" 2
1345 1 75 ARG QB 1 75 ARG QD . . 3.500 2.280 2.047 2.724 . 0 0 "[ . 1 . 2]" 2
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