NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506331 |
1x4l   |
11350 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4l
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 27
_Distance_constraint_stats_list.Viol_count 201
_Distance_constraint_stats_list.Viol_total 14.147
_Distance_constraint_stats_list.Viol_max 0.014
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0035
_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 8 CYS 0.027 0.005 13 0 "[ . 1 . 2]"
1 11 CYS 0.046 0.006 13 0 "[ . 1 . 2]"
1 32 HIS 0.070 0.009 6 0 "[ . 1 . 2]"
1 35 CYS 0.063 0.009 6 0 "[ . 1 . 2]"
1 38 CYS 0.349 0.014 5 0 "[ . 1 . 2]"
1 41 CYS 0.148 0.008 7 0 "[ . 1 . 2]"
1 59 CYS 0.214 0.010 2 0 "[ . 1 . 2]"
1 62 CYS 0.108 0.007 20 0 "[ . 1 . 2]"
2 1 ZN 0.044 0.005 13 0 "[ . 1 . 2]"
3 1 ZN 0.345 0.014 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 CYS SG 2 1 ZN ZN . 2.250 2.350 2.338 2.251 2.355 0.005 13 0 "[ . 1 . 2]" 1
2 1 11 CYS SG 2 1 ZN ZN . 2.250 2.350 2.295 2.247 2.350 0.003 2 0 "[ . 1 . 2]" 1
3 1 35 CYS SG 2 1 ZN ZN . 2.250 2.350 2.326 2.262 2.352 0.002 13 0 "[ . 1 . 2]" 1
4 1 32 HIS ND1 2 1 ZN ZN . . 2.050 2.039 1.963 2.054 0.004 13 0 "[ . 1 . 2]" 1
5 1 8 CYS CB 2 1 ZN ZN . 3.220 3.520 3.313 3.221 3.431 . 0 0 "[ . 1 . 2]" 1
6 1 11 CYS CB 2 1 ZN ZN . 3.220 3.520 3.483 3.336 3.524 0.004 13 0 "[ . 1 . 2]" 1
7 1 35 CYS CB 2 1 ZN ZN . 3.220 3.520 3.290 3.220 3.407 . 0 0 "[ . 1 . 2]" 1
8 1 8 CYS SG 1 11 CYS SG . 3.650 3.850 3.694 3.648 3.818 0.002 13 0 "[ . 1 . 2]" 1
9 1 8 CYS SG 1 32 HIS ND1 . 3.500 3.700 3.524 3.495 3.617 0.005 14 0 "[ . 1 . 2]" 1
10 1 8 CYS SG 1 35 CYS SG . 3.650 3.850 3.829 3.727 3.853 0.003 5 0 "[ . 1 . 2]" 1
11 1 11 CYS SG 1 32 HIS ND1 . 3.500 3.700 3.563 3.494 3.701 0.006 13 0 "[ . 1 . 2]" 1
12 1 11 CYS SG 1 35 CYS SG . 3.650 3.850 3.718 3.647 3.855 0.005 13 0 "[ . 1 . 2]" 1
13 1 32 HIS ND1 1 35 CYS SG . 3.500 3.700 3.689 3.566 3.709 0.009 6 0 "[ . 1 . 2]" 1
14 1 38 CYS SG 3 1 ZN ZN . 2.250 2.350 2.354 2.317 2.361 0.011 4 0 "[ . 1 . 2]" 1
15 1 41 CYS SG 3 1 ZN ZN . 2.250 2.350 2.329 2.253 2.353 0.003 9 0 "[ . 1 . 2]" 1
16 1 59 CYS SG 3 1 ZN ZN . 2.250 2.350 2.296 2.249 2.329 0.001 18 0 "[ . 1 . 2]" 1
17 1 62 CYS SG 3 1 ZN ZN . 2.250 2.350 2.252 2.245 2.296 0.005 10 0 "[ . 1 . 2]" 1
18 1 38 CYS CB 3 1 ZN ZN . 3.220 3.520 3.214 3.206 3.227 0.014 5 0 "[ . 1 . 2]" 1
19 1 41 CYS CB 3 1 ZN ZN . 3.220 3.520 3.510 3.440 3.526 0.006 4 0 "[ . 1 . 2]" 1
20 1 59 CYS CB 3 1 ZN ZN . 3.220 3.520 3.509 3.457 3.524 0.004 6 0 "[ . 1 . 2]" 1
21 1 62 CYS CB 3 1 ZN ZN . 3.220 3.520 3.267 3.215 3.392 0.005 19 0 "[ . 1 . 2]" 1
22 1 38 CYS SG 1 41 CYS SG . 3.650 3.850 3.799 3.649 3.853 0.003 9 0 "[ . 1 . 2]" 1
23 1 38 CYS SG 1 59 CYS SG . 3.650 3.850 3.855 3.848 3.860 0.010 2 0 "[ . 1 . 2]" 1
24 1 38 CYS SG 1 62 CYS SG . 3.650 3.850 3.777 3.656 3.856 0.006 14 0 "[ . 1 . 2]" 1
25 1 41 CYS SG 1 59 CYS SG . 3.650 3.850 3.649 3.642 3.678 0.008 7 0 "[ . 1 . 2]" 1
26 1 41 CYS SG 1 62 CYS SG . 3.650 3.850 3.838 3.745 3.856 0.006 12 0 "[ . 1 . 2]" 1
27 1 59 CYS SG 1 62 CYS SG . 3.650 3.850 3.676 3.643 3.728 0.007 20 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 1422
_Distance_constraint_stats_list.Viol_count 882
_Distance_constraint_stats_list.Viol_total 375.166
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 CYS 0.160 0.038 4 0 "[ . 1 . 2]"
1 9 ALA 0.229 0.038 4 0 "[ . 1 . 2]"
1 10 GLY 0.046 0.016 9 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.248 0.138 8 0 "[ . 1 . 2]"
1 14 PRO 0.310 0.138 8 0 "[ . 1 . 2]"
1 15 ILE 0.188 0.037 2 0 "[ . 1 . 2]"
1 16 SER 0.007 0.007 1 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.561 0.167 14 0 "[ . 1 . 2]"
1 20 GLY 0.086 0.025 10 0 "[ . 1 . 2]"
1 21 THR 0.297 0.122 10 0 "[ . 1 . 2]"
1 22 LYS 0.217 0.045 11 0 "[ . 1 . 2]"
1 23 TYR 0.599 0.122 10 0 "[ . 1 . 2]"
1 24 ILE 1.226 0.089 6 0 "[ . 1 . 2]"
1 25 SER 0.629 0.089 19 0 "[ . 1 . 2]"
1 26 PHE 0.121 0.049 19 0 "[ . 1 . 2]"
1 27 GLU 0.071 0.012 15 0 "[ . 1 . 2]"
1 28 GLU 0.025 0.012 15 0 "[ . 1 . 2]"
1 29 ARG 0.324 0.094 14 0 "[ . 1 . 2]"
1 30 GLN 0.402 0.094 14 0 "[ . 1 . 2]"
1 31 TRP 0.634 0.043 10 0 "[ . 1 . 2]"
1 32 HIS 0.170 0.019 13 0 "[ . 1 . 2]"
1 33 ASN 1.575 0.097 4 0 "[ . 1 . 2]"
1 34 ASP 0.550 0.097 4 0 "[ . 1 . 2]"
1 35 CYS 0.449 0.043 10 0 "[ . 1 . 2]"
1 36 PHE 1.563 0.089 6 0 "[ . 1 . 2]"
1 37 ASN 0.059 0.015 3 0 "[ . 1 . 2]"
1 38 CYS 1.777 0.072 2 0 "[ . 1 . 2]"
1 39 LYS 1.240 0.141 13 0 "[ . 1 . 2]"
1 40 LYS 1.740 0.141 13 0 "[ . 1 . 2]"
1 41 CYS 0.049 0.029 11 0 "[ . 1 . 2]"
1 42 SER 1.079 0.103 8 0 "[ . 1 . 2]"
1 43 LEU 0.649 0.167 17 0 "[ . 1 . 2]"
1 44 SER 0.465 0.040 2 0 "[ . 1 . 2]"
1 45 LEU 0.460 0.181 16 0 "[ . 1 . 2]"
1 46 VAL 0.986 0.040 2 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.492 0.181 16 0 "[ . 1 . 2]"
1 49 GLY 0.165 0.136 16 0 "[ . 1 . 2]"
1 50 PHE 0.155 0.024 20 0 "[ . 1 . 2]"
1 51 LEU 0.457 0.035 18 0 "[ . 1 . 2]"
1 52 THR 0.781 0.035 12 0 "[ . 1 . 2]"
1 53 GLU 0.339 0.053 2 0 "[ . 1 . 2]"
1 54 ARG 0.840 0.200 19 0 "[ . 1 . 2]"
1 55 ASP 0.020 0.011 17 0 "[ . 1 . 2]"
1 56 ASP 0.913 0.052 16 0 "[ . 1 . 2]"
1 57 ILE 1.507 0.072 2 0 "[ . 1 . 2]"
1 58 LEU 1.451 0.093 20 0 "[ . 1 . 2]"
1 59 CYS 1.500 0.069 7 0 "[ . 1 . 2]"
1 60 PRO 0.097 0.033 12 0 "[ . 1 . 2]"
1 61 ASP 0.156 0.034 5 0 "[ . 1 . 2]"
1 62 CYS 0.989 0.062 20 0 "[ . 1 . 2]"
1 63 GLY 1.947 0.093 20 0 "[ . 1 . 2]"
1 64 LYS 1.615 0.196 12 0 "[ . 1 . 2]"
1 65 ASP 0.244 0.186 14 0 "[ . 1 . 2]"
1 66 ILE 0.307 0.053 2 0 "[ . 1 . 2]"
1 67 SER 0.061 0.021 19 0 "[ . 1 . 2]"
1 68 GLY 0.166 0.084 4 0 "[ . 1 . 2]"
1 69 PRO 0.161 0.084 4 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 39 LYS H 1 39 LYS HB2 . . 3.220 2.654 2.565 2.768 . 0 0 "[ . 1 . 2]" 2
2 1 39 LYS H 1 39 LYS HB3 . . 3.330 2.786 2.687 2.861 . 0 0 "[ . 1 . 2]" 2
3 1 39 LYS H 1 58 LEU HA . . 3.720 2.475 2.316 2.656 . 0 0 "[ . 1 . 2]" 2
4 1 39 LYS H 1 58 LEU MD2 . . 3.680 2.230 1.955 2.519 . 0 0 "[ . 1 . 2]" 2
5 1 9 ALA HA 1 31 TRP HE1 . . 5.360 4.688 4.255 5.230 . 0 0 "[ . 1 . 2]" 2
6 1 9 ALA MB 1 31 TRP HE1 . . 3.740 2.191 1.879 2.723 . 0 0 "[ . 1 . 2]" 2
7 1 44 SER HB2 1 45 LEU H . . 4.660 4.351 4.250 4.421 . 0 0 "[ . 1 . 2]" 2
8 1 44 SER HB3 1 45 LEU H . . 4.660 4.348 4.156 4.465 . 0 0 "[ . 1 . 2]" 2
9 1 44 SER HG 1 45 LEU H . . 4.770 3.332 2.806 3.999 . 0 0 "[ . 1 . 2]" 2
10 1 36 PHE QD 1 45 LEU H . . 4.350 3.804 3.574 4.003 . 0 0 "[ . 1 . 2]" 2
11 1 37 ASN HA 1 45 LEU H . . 3.320 2.613 2.455 2.757 . 0 0 "[ . 1 . 2]" 2
12 1 45 LEU H 1 45 LEU HG . . 3.220 2.935 2.557 3.159 . 0 0 "[ . 1 . 2]" 2
13 1 45 LEU H 1 45 LEU HB2 . . 3.290 2.389 2.323 2.609 . 0 0 "[ . 1 . 2]" 2
14 1 45 LEU H 1 46 VAL MG1 . . 3.620 3.242 3.144 3.431 . 0 0 "[ . 1 . 2]" 2
15 1 45 LEU H 1 45 LEU HB3 . . 3.750 3.620 3.584 3.711 . 0 0 "[ . 1 . 2]" 2
16 1 45 LEU H 1 45 LEU MD1 . . 4.260 3.898 3.774 4.042 . 0 0 "[ . 1 . 2]" 2
17 1 26 PHE QD 1 27 GLU H . . 4.580 2.732 2.537 2.792 . 0 0 "[ . 1 . 2]" 2
18 1 27 GLU H 1 27 GLU HG2 . . 4.030 2.531 1.977 3.287 . 0 0 "[ . 1 . 2]" 2
19 1 27 GLU H 1 27 GLU HG3 . . 4.030 2.893 1.969 3.688 . 0 0 "[ . 1 . 2]" 2
20 1 27 GLU H 1 28 GLU H . . 4.590 3.157 3.096 3.314 . 0 0 "[ . 1 . 2]" 2
21 1 34 ASP H 1 36 PHE H . . 4.540 3.666 3.461 3.957 . 0 0 "[ . 1 . 2]" 2
22 1 35 CYS H 1 36 PHE H . . 2.940 2.858 2.796 2.940 . 0 0 "[ . 1 . 2]" 2
23 1 36 PHE H 1 36 PHE QD . . 4.290 3.991 3.884 4.048 . 0 0 "[ . 1 . 2]" 2
24 1 34 ASP HA 1 36 PHE H . . 4.740 4.413 4.221 4.667 . 0 0 "[ . 1 . 2]" 2
25 1 33 ASN HA 1 36 PHE H . . 4.450 4.485 4.450 4.521 0.071 14 0 "[ . 1 . 2]" 2
26 1 36 PHE H 1 36 PHE HB3 . . 3.250 2.838 2.772 2.964 . 0 0 "[ . 1 . 2]" 2
27 1 31 TRP HB2 1 36 PHE H . . 4.530 3.962 3.812 4.138 . 0 0 "[ . 1 . 2]" 2
28 1 36 PHE H 1 36 PHE HB2 . . 3.280 2.269 2.227 2.309 . 0 0 "[ . 1 . 2]" 2
29 1 33 ASN H 1 34 ASP H . . 3.950 2.803 2.672 2.983 . 0 0 "[ . 1 . 2]" 2
30 1 32 HIS HD2 1 33 ASN H . . 4.830 3.707 3.519 3.849 . 0 0 "[ . 1 . 2]" 2
31 1 33 ASN H 1 33 ASN HD21 . . 5.260 3.550 1.996 4.910 . 0 0 "[ . 1 . 2]" 2
32 1 23 TYR HA 1 33 ASN H . . 3.770 2.596 2.140 3.024 . 0 0 "[ . 1 . 2]" 2
33 1 32 HIS HA 1 33 ASN H . . 3.280 2.324 2.185 2.430 . 0 0 "[ . 1 . 2]" 2
34 1 32 HIS HB3 1 33 ASN H . . 4.180 2.675 2.388 3.127 . 0 0 "[ . 1 . 2]" 2
35 1 33 ASN H 1 33 ASN HB3 . . 3.720 3.361 2.947 3.593 . 0 0 "[ . 1 . 2]" 2
36 1 33 ASN H 1 33 ASN HB2 . . 3.310 2.260 2.141 2.491 . 0 0 "[ . 1 . 2]" 2
37 1 25 SER H 1 26 PHE H . . 4.630 4.327 4.244 4.426 . 0 0 "[ . 1 . 2]" 2
38 1 26 PHE H 1 26 PHE QD . . 4.870 4.320 4.268 4.365 . 0 0 "[ . 1 . 2]" 2
39 1 26 PHE H 1 31 TRP HE3 . . 5.220 4.481 4.359 4.652 . 0 0 "[ . 1 . 2]" 2
40 1 26 PHE H 1 30 GLN HA . . 2.810 2.730 2.608 2.815 0.005 11 0 "[ . 1 . 2]" 2
41 1 25 SER HA 1 26 PHE H . . 2.790 2.153 2.138 2.188 . 0 0 "[ . 1 . 2]" 2
42 1 26 PHE H 1 26 PHE QB . . 3.380 2.486 2.421 2.565 . 0 0 "[ . 1 . 2]" 2
43 1 43 LEU H 1 59 CYS HB3 . . 4.440 4.409 4.319 4.475 0.035 3 0 "[ . 1 . 2]" 2
44 1 43 LEU H 1 43 LEU HB2 . . 3.140 2.930 2.753 3.032 . 0 0 "[ . 1 . 2]" 2
45 1 22 LYS H 1 22 LYS HG2 . . 4.210 3.679 3.119 4.112 . 0 0 "[ . 1 . 2]" 2
46 1 22 LYS H 1 22 LYS HG3 . . 4.210 2.565 2.290 2.977 . 0 0 "[ . 1 . 2]" 2
47 1 21 THR HA 1 22 LYS H . . 3.350 2.383 2.186 3.363 0.013 9 0 "[ . 1 . 2]" 2
48 1 21 THR MG 1 22 LYS H . . 4.300 2.275 1.864 3.916 . 0 0 "[ . 1 . 2]" 2
49 1 62 CYS H 1 63 GLY H . . 3.110 2.537 2.322 2.751 . 0 0 "[ . 1 . 2]" 2
50 1 61 ASP H 1 62 CYS H . . 3.110 2.666 2.504 2.847 . 0 0 "[ . 1 . 2]" 2
51 1 62 CYS H 1 62 CYS HB2 . . 2.870 2.385 2.320 2.452 . 0 0 "[ . 1 . 2]" 2
52 1 62 CYS H 1 64 LYS H . . 4.730 3.964 3.801 4.368 . 0 0 "[ . 1 . 2]" 2
53 1 59 CYS HB2 1 62 CYS H . . 4.260 4.197 4.139 4.274 0.014 1 0 "[ . 1 . 2]" 2
54 1 12 THR H 1 13 ASN H . . 4.610 3.091 2.955 3.175 . 0 0 "[ . 1 . 2]" 2
55 1 53 GLU H 1 56 ASP H . . 4.070 3.743 3.709 3.784 . 0 0 "[ . 1 . 2]" 2
56 1 53 GLU H 1 58 LEU MD1 . . 4.460 3.954 3.842 4.238 . 0 0 "[ . 1 . 2]" 2
57 1 53 GLU H 1 58 LEU H . . 4.280 3.792 3.663 3.947 . 0 0 "[ . 1 . 2]" 2
58 1 52 THR HB 1 53 GLU H . . 3.830 3.814 3.653 3.865 0.035 12 0 "[ . 1 . 2]" 2
59 1 53 GLU H 1 53 GLU HB2 . . 3.530 2.300 2.245 2.383 . 0 0 "[ . 1 . 2]" 2
60 1 53 GLU H 1 53 GLU HB3 . . 3.530 2.865 2.732 2.917 . 0 0 "[ . 1 . 2]" 2
61 1 52 THR MG 1 53 GLU H . . 4.330 4.073 3.936 4.133 . 0 0 "[ . 1 . 2]" 2
62 1 14 PRO HA 1 15 ILE H . . 3.070 2.239 2.151 2.458 . 0 0 "[ . 1 . 2]" 2
63 1 14 PRO HB3 1 15 ILE H . . 4.290 3.866 3.383 4.327 0.037 2 0 "[ . 1 . 2]" 2
64 1 15 ILE H 1 15 ILE HB . . 3.430 2.577 2.425 2.819 . 0 0 "[ . 1 . 2]" 2
65 1 15 ILE H 1 15 ILE HG13 . . 4.000 2.467 2.200 2.751 . 0 0 "[ . 1 . 2]" 2
66 1 15 ILE H 1 15 ILE HG12 . . 4.060 3.759 3.488 4.009 . 0 0 "[ . 1 . 2]" 2
67 1 15 ILE H 1 15 ILE MD . . 4.440 3.690 3.417 3.958 . 0 0 "[ . 1 . 2]" 2
68 1 58 LEU H 1 58 LEU HB3 . . 4.030 3.932 3.919 3.950 . 0 0 "[ . 1 . 2]" 2
69 1 51 LEU MD1 1 58 LEU H . . 4.540 3.737 3.571 3.942 . 0 0 "[ . 1 . 2]" 2
70 1 51 LEU H 1 58 LEU H . . 3.830 3.047 2.839 3.223 . 0 0 "[ . 1 . 2]" 2
71 1 57 ILE HA 1 58 LEU H . . 2.880 2.363 2.324 2.396 . 0 0 "[ . 1 . 2]" 2
72 1 51 LEU HB2 1 58 LEU H . . 3.630 3.266 3.069 3.560 . 0 0 "[ . 1 . 2]" 2
73 1 58 LEU H 1 58 LEU HB2 . . 3.190 2.925 2.897 2.960 . 0 0 "[ . 1 . 2]" 2
74 1 57 ILE HB 1 58 LEU H . . 3.370 2.476 2.397 2.573 . 0 0 "[ . 1 . 2]" 2
75 1 24 ILE H 1 33 ASN H . . 4.330 3.816 3.236 4.189 . 0 0 "[ . 1 . 2]" 2
76 1 23 TYR HB2 1 24 ILE H . . 3.170 2.526 2.202 2.820 . 0 0 "[ . 1 . 2]" 2
77 1 23 TYR HB3 1 24 ILE H . . 4.120 3.896 3.687 4.051 . 0 0 "[ . 1 . 2]" 2
78 1 24 ILE H 1 24 ILE HB . . 3.280 2.616 2.486 2.708 . 0 0 "[ . 1 . 2]" 2
79 1 24 ILE H 1 24 ILE HG12 . . 4.240 2.555 1.923 3.890 . 0 0 "[ . 1 . 2]" 2
80 1 24 ILE H 1 24 ILE HG13 . . 4.240 3.598 3.322 3.896 . 0 0 "[ . 1 . 2]" 2
81 1 24 ILE H 1 31 TRP H . . 3.720 3.357 3.234 3.493 . 0 0 "[ . 1 . 2]" 2
82 1 23 TYR QD 1 24 ILE H . . 3.990 3.145 2.584 3.579 . 0 0 "[ . 1 . 2]" 2
83 1 38 CYS H 1 59 CYS H . . 5.500 5.501 5.452 5.536 0.036 10 0 "[ . 1 . 2]" 2
84 1 38 CYS H 1 39 LYS H . . 4.860 4.642 4.633 4.647 . 0 0 "[ . 1 . 2]" 2
85 1 38 CYS H 1 42 SER H . . 4.530 4.250 4.095 4.400 . 0 0 "[ . 1 . 2]" 2
86 1 37 ASN HA 1 38 CYS H . . 3.030 2.279 2.254 2.309 . 0 0 "[ . 1 . 2]" 2
87 1 38 CYS H 1 42 SER HA . . 4.070 3.124 2.841 3.380 . 0 0 "[ . 1 . 2]" 2
88 1 38 CYS H 1 38 CYS HB3 . . 3.170 2.784 2.737 2.809 . 0 0 "[ . 1 . 2]" 2
89 1 38 CYS H 1 59 CYS HB3 . . 4.380 4.146 4.025 4.319 . 0 0 "[ . 1 . 2]" 2
90 1 38 CYS H 1 38 CYS HB2 . . 3.210 2.322 2.304 2.348 . 0 0 "[ . 1 . 2]" 2
91 1 37 ASN HB2 1 38 CYS H . . 3.990 3.669 2.786 3.901 . 0 0 "[ . 1 . 2]" 2
92 1 38 CYS H 1 45 LEU HG . . 3.560 2.342 2.092 2.617 . 0 0 "[ . 1 . 2]" 2
93 1 38 CYS H 1 45 LEU MD2 . . 4.240 3.547 2.786 3.903 . 0 0 "[ . 1 . 2]" 2
94 1 38 CYS H 1 45 LEU MD1 . . 4.080 2.696 2.478 2.957 . 0 0 "[ . 1 . 2]" 2
95 1 50 PHE QD 1 51 LEU H . . 3.990 3.563 3.296 3.738 . 0 0 "[ . 1 . 2]" 2
96 1 50 PHE HA 1 51 LEU H . . 3.170 2.306 2.244 2.422 . 0 0 "[ . 1 . 2]" 2
97 1 50 PHE HB2 1 51 LEU H . . 3.060 2.695 2.406 2.869 . 0 0 "[ . 1 . 2]" 2
98 1 51 LEU H 1 51 LEU HB3 . . 3.940 3.688 3.665 3.720 . 0 0 "[ . 1 . 2]" 2
99 1 51 LEU H 1 51 LEU HB2 . . 3.290 2.576 2.504 2.634 . 0 0 "[ . 1 . 2]" 2
100 1 51 LEU H 1 51 LEU MD1 . . 3.980 2.057 1.860 2.310 . 0 0 "[ . 1 . 2]" 2
101 1 32 HIS H 1 35 CYS HB2 . . 3.670 1.888 1.864 1.915 . 0 0 "[ . 1 . 2]" 2
102 1 31 TRP HB3 1 32 HIS H . . 3.590 1.995 1.931 2.211 . 0 0 "[ . 1 . 2]" 2
103 1 55 ASP H 1 56 ASP H . . 2.930 2.416 2.341 2.513 . 0 0 "[ . 1 . 2]" 2
104 1 55 ASP H 1 56 ASP HB2 . . 5.000 3.858 3.811 3.905 . 0 0 "[ . 1 . 2]" 2
105 1 53 GLU QG 1 55 ASP H . . 4.170 3.830 3.232 4.181 0.011 17 0 "[ . 1 . 2]" 2
106 1 54 ARG HB3 1 55 ASP H . . 3.630 2.990 2.779 3.154 . 0 0 "[ . 1 . 2]" 2
107 1 24 ILE HA 1 25 SER H . . 2.700 2.156 2.138 2.203 . 0 0 "[ . 1 . 2]" 2
108 1 25 SER H 1 25 SER HB3 . . 3.710 3.087 2.597 3.799 0.089 19 0 "[ . 1 . 2]" 2
109 1 24 ILE HB 1 25 SER H . . 4.620 4.101 3.887 4.346 . 0 0 "[ . 1 . 2]" 2
110 1 24 ILE MG 1 25 SER H . . 3.340 2.456 2.027 2.763 . 0 0 "[ . 1 . 2]" 2
111 1 24 ILE H 1 25 SER H . . 5.110 4.473 4.383 4.539 . 0 0 "[ . 1 . 2]" 2
112 1 45 LEU H 1 46 VAL H . . 3.180 2.115 2.027 2.210 . 0 0 "[ . 1 . 2]" 2
113 1 44 SER HG 1 46 VAL H . . 4.170 3.191 2.530 3.829 . 0 0 "[ . 1 . 2]" 2
114 1 36 PHE QD 1 46 VAL H . . 4.040 2.450 2.249 2.839 . 0 0 "[ . 1 . 2]" 2
115 1 44 SER HB2 1 46 VAL H . . 5.270 5.143 4.903 5.282 0.012 3 0 "[ . 1 . 2]" 2
116 1 46 VAL H 1 46 VAL HB . . 2.910 2.635 2.549 2.725 . 0 0 "[ . 1 . 2]" 2
117 1 45 LEU HB2 1 46 VAL H . . 3.180 2.960 2.825 3.165 . 0 0 "[ . 1 . 2]" 2
118 1 46 VAL H 1 46 VAL MG1 . . 2.800 2.032 1.889 2.302 . 0 0 "[ . 1 . 2]" 2
119 1 46 VAL H 1 46 VAL MG2 . . 3.970 3.768 3.748 3.781 . 0 0 "[ . 1 . 2]" 2
120 1 45 LEU HB3 1 46 VAL H . . 4.090 3.788 3.628 4.071 . 0 0 "[ . 1 . 2]" 2
121 1 59 CYS H 1 62 CYS H . . 4.100 3.591 3.507 3.701 . 0 0 "[ . 1 . 2]" 2
122 1 58 LEU H 1 59 CYS H . . 5.360 4.397 4.384 4.408 . 0 0 "[ . 1 . 2]" 2
123 1 58 LEU HA 1 59 CYS H . . 3.040 2.463 2.361 2.518 . 0 0 "[ . 1 . 2]" 2
124 1 38 CYS HB3 1 59 CYS H . . 4.410 4.454 4.419 4.479 0.069 7 0 "[ . 1 . 2]" 2
125 1 59 CYS H 1 62 CYS HB2 . . 3.230 2.529 2.386 2.669 . 0 0 "[ . 1 . 2]" 2
126 1 59 CYS H 1 59 CYS HB3 . . 3.160 2.757 2.646 2.786 . 0 0 "[ . 1 . 2]" 2
127 1 38 CYS HB2 1 59 CYS H . . 3.510 3.463 3.405 3.510 . 0 0 "[ . 1 . 2]" 2
128 1 58 LEU HB3 1 59 CYS H . . 3.630 2.313 2.200 2.529 . 0 0 "[ . 1 . 2]" 2
129 1 58 LEU HB2 1 59 CYS H . . 4.010 3.398 3.301 3.597 . 0 0 "[ . 1 . 2]" 2
130 1 58 LEU MD2 1 59 CYS H . . 4.280 3.487 3.258 3.614 . 0 0 "[ . 1 . 2]" 2
131 1 45 LEU MD2 1 59 CYS H . . 4.270 3.517 3.366 3.894 . 0 0 "[ . 1 . 2]" 2
132 1 39 LYS H 1 59 CYS H . . 4.790 4.192 4.044 4.272 . 0 0 "[ . 1 . 2]" 2
133 1 59 CYS H 1 63 GLY H . . 4.920 3.604 3.408 3.967 . 0 0 "[ . 1 . 2]" 2
134 1 26 PHE H 1 29 ARG H . . 4.700 4.584 4.414 4.677 . 0 0 "[ . 1 . 2]" 2
135 1 28 GLU H 1 29 ARG H . . 3.420 1.947 1.895 1.992 . 0 0 "[ . 1 . 2]" 2
136 1 26 PHE QD 1 29 ARG H . . 4.430 2.640 1.894 3.043 . 0 0 "[ . 1 . 2]" 2
137 1 28 GLU HB3 1 29 ARG H . . 4.200 3.610 3.506 3.717 . 0 0 "[ . 1 . 2]" 2
138 1 29 ARG H 1 31 TRP HZ3 . . 5.320 4.831 4.464 5.032 . 0 0 "[ . 1 . 2]" 2
139 1 29 ARG H 1 31 TRP HH2 . . 5.500 4.620 4.474 4.829 . 0 0 "[ . 1 . 2]" 2
140 1 28 GLU HB2 1 29 ARG H . . 4.200 2.575 2.530 2.719 . 0 0 "[ . 1 . 2]" 2
141 1 29 ARG H 1 29 ARG HB2 . . 3.180 2.310 2.210 2.403 . 0 0 "[ . 1 . 2]" 2
142 1 29 ARG H 1 29 ARG HG3 . . 3.560 2.801 2.568 3.072 . 0 0 "[ . 1 . 2]" 2
143 1 29 ARG H 1 29 ARG HG2 . . 4.000 3.573 3.293 3.932 . 0 0 "[ . 1 . 2]" 2
144 1 29 ARG H 1 29 ARG HB3 . . 3.990 3.560 3.507 3.596 . 0 0 "[ . 1 . 2]" 2
145 1 64 LYS H 1 65 ASP H . . 3.640 2.924 2.464 3.346 . 0 0 "[ . 1 . 2]" 2
146 1 61 ASP HA 1 64 LYS H . . 4.460 4.207 3.745 4.450 . 0 0 "[ . 1 . 2]" 2
147 1 51 LEU MD1 1 64 LYS H . . 4.400 3.508 3.168 3.843 . 0 0 "[ . 1 . 2]" 2
148 1 51 LEU MD2 1 64 LYS H . . 4.770 3.662 3.388 4.084 . 0 0 "[ . 1 . 2]" 2
149 1 65 ASP HB3 1 66 ILE H . . 4.850 3.413 2.397 4.453 . 0 0 "[ . 1 . 2]" 2
150 1 66 ILE H 1 66 ILE HB . . 3.270 2.635 2.394 2.890 . 0 0 "[ . 1 . 2]" 2
151 1 66 ILE H 1 66 ILE HG12 . . 3.850 3.160 1.895 3.875 0.025 13 0 "[ . 1 . 2]" 2
152 1 64 LYS H 1 66 ILE H . . 4.650 4.504 4.121 4.665 0.015 1 0 "[ . 1 . 2]" 2
153 1 21 THR MG 1 23 TYR H . . 3.620 2.854 1.898 3.599 . 0 0 "[ . 1 . 2]" 2
154 1 66 ILE H 1 66 ILE HG13 . . 3.850 2.517 1.887 3.890 0.040 2 0 "[ . 1 . 2]" 2
155 1 66 ILE H 1 66 ILE MG . . 4.010 3.790 3.736 3.949 . 0 0 "[ . 1 . 2]" 2
156 1 21 THR HB 1 23 TYR H . . 3.760 3.081 2.125 3.770 0.010 14 0 "[ . 1 . 2]" 2
157 1 63 GLY H 1 64 LYS H . . 3.280 2.845 2.580 3.130 . 0 0 "[ . 1 . 2]" 2
158 1 64 LYS H 1 64 LYS QB . . 2.900 2.340 2.116 2.591 . 0 0 "[ . 1 . 2]" 2
159 1 64 LYS H 1 64 LYS QD . . 4.000 3.897 3.692 4.157 0.157 18 0 "[ . 1 . 2]" 2
160 1 64 LYS H 1 64 LYS QG . . 3.430 2.588 2.186 3.626 0.196 12 0 "[ . 1 . 2]" 2
161 1 31 TRP H 1 31 TRP HE3 . . 3.330 3.150 2.667 3.328 . 0 0 "[ . 1 . 2]" 2
162 1 30 GLN HA 1 31 TRP H . . 3.060 2.453 2.285 2.535 . 0 0 "[ . 1 . 2]" 2
163 1 23 TYR HB2 1 31 TRP H . . 4.680 4.307 4.027 4.609 . 0 0 "[ . 1 . 2]" 2
164 1 31 TRP H 1 31 TRP HB2 . . 3.610 2.946 2.698 3.012 . 0 0 "[ . 1 . 2]" 2
165 1 30 GLN HB3 1 31 TRP H . . 3.850 2.373 2.208 2.744 . 0 0 "[ . 1 . 2]" 2
166 1 30 GLN HB2 1 31 TRP H . . 3.880 3.387 3.209 3.757 . 0 0 "[ . 1 . 2]" 2
167 1 23 TYR QD 1 31 TRP H . . 4.530 3.264 2.939 3.572 . 0 0 "[ . 1 . 2]" 2
168 1 23 TYR H 1 24 ILE H . . 4.820 4.566 4.427 4.646 . 0 0 "[ . 1 . 2]" 2
169 1 23 TYR H 1 23 TYR QD . . 3.630 2.089 1.905 2.435 . 0 0 "[ . 1 . 2]" 2
170 1 23 TYR H 1 23 TYR QE . . 4.400 4.185 3.908 4.430 0.030 10 0 "[ . 1 . 2]" 2
171 1 23 TYR H 1 23 TYR HB2 . . 4.040 3.664 3.544 3.861 . 0 0 "[ . 1 . 2]" 2
172 1 23 TYR H 1 23 TYR HB3 . . 3.820 2.584 2.279 3.020 . 0 0 "[ . 1 . 2]" 2
173 1 37 ASN H 1 37 ASN HD21 . . 4.590 4.086 3.834 4.298 . 0 0 "[ . 1 . 2]" 2
174 1 36 PHE H 1 37 ASN H . . 4.490 4.256 4.132 4.394 . 0 0 "[ . 1 . 2]" 2
175 1 37 ASN H 1 57 ILE MD . . 3.930 2.910 2.598 3.109 . 0 0 "[ . 1 . 2]" 2
176 1 39 LYS H 1 40 LYS H . . 3.470 2.080 1.994 2.187 . 0 0 "[ . 1 . 2]" 2
177 1 40 LYS H 1 58 LEU HA . . 4.870 3.894 3.774 4.035 . 0 0 "[ . 1 . 2]" 2
178 1 38 CYS HA 1 40 LYS H . . 4.280 4.014 3.939 4.082 . 0 0 "[ . 1 . 2]" 2
179 1 40 LYS H 1 40 LYS HB3 . . 3.180 2.835 2.737 2.924 . 0 0 "[ . 1 . 2]" 2
180 1 40 LYS H 1 40 LYS HB2 . . 3.040 2.598 2.468 2.741 . 0 0 "[ . 1 . 2]" 2
181 1 39 LYS HB3 1 40 LYS H . . 3.530 3.371 3.199 3.537 0.007 20 0 "[ . 1 . 2]" 2
182 1 40 LYS H 1 40 LYS QG . . 4.140 4.052 3.996 4.098 . 0 0 "[ . 1 . 2]" 2
183 1 40 LYS H 1 58 LEU MD2 . . 3.500 2.595 2.368 2.984 . 0 0 "[ . 1 . 2]" 2
184 1 41 CYS H 1 42 SER HA . . 4.450 4.257 4.135 4.449 . 0 0 "[ . 1 . 2]" 2
185 1 41 CYS H 1 62 CYS HB3 . . 5.380 5.190 4.928 5.382 0.002 17 0 "[ . 1 . 2]" 2
186 1 40 LYS HB3 1 41 CYS H . . 3.470 2.443 2.133 2.661 . 0 0 "[ . 1 . 2]" 2
187 1 40 LYS HB2 1 41 CYS H . . 3.650 3.518 3.387 3.644 . 0 0 "[ . 1 . 2]" 2
188 1 38 CYS HB2 1 41 CYS H . . 4.140 3.943 3.797 4.137 . 0 0 "[ . 1 . 2]" 2
189 1 40 LYS QG 1 41 CYS H . . 4.510 3.971 3.638 4.172 . 0 0 "[ . 1 . 2]" 2
190 1 66 ILE HB 1 67 SER H . . 4.550 4.198 2.208 4.463 . 0 0 "[ . 1 . 2]" 2
191 1 39 LYS H 1 57 ILE H . . 4.970 4.920 4.818 5.011 0.041 15 0 "[ . 1 . 2]" 2
192 1 56 ASP HA 1 57 ILE H . . 2.870 2.479 2.401 2.573 . 0 0 "[ . 1 . 2]" 2
193 1 56 ASP HB2 1 57 ILE H . . 3.920 3.571 3.448 3.655 . 0 0 "[ . 1 . 2]" 2
194 1 56 ASP HB3 1 57 ILE H . . 3.350 2.265 2.070 2.436 . 0 0 "[ . 1 . 2]" 2
195 1 39 LYS HB2 1 57 ILE H . . 3.520 2.932 2.766 3.040 . 0 0 "[ . 1 . 2]" 2
196 1 57 ILE H 1 57 ILE HG13 . . 3.030 2.577 2.527 2.623 . 0 0 "[ . 1 . 2]" 2
197 1 57 ILE H 1 57 ILE HG12 . . 3.020 2.167 1.960 2.344 . 0 0 "[ . 1 . 2]" 2
198 1 47 GLY H 1 48 ARG H . . 3.580 2.319 1.924 2.458 . 0 0 "[ . 1 . 2]" 2
199 1 45 LEU HA 1 48 ARG H . . 4.540 4.437 4.016 4.555 0.015 10 0 "[ . 1 . 2]" 2
200 1 46 VAL HA 1 48 ARG H . . 3.930 3.770 3.643 3.943 0.013 16 0 "[ . 1 . 2]" 2
201 1 48 ARG H 1 48 ARG HG2 . . 3.760 3.670 2.891 3.761 0.001 7 0 "[ . 1 . 2]" 2
202 1 48 ARG H 1 48 ARG HG3 . . 3.760 3.131 2.980 3.544 . 0 0 "[ . 1 . 2]" 2
203 1 48 ARG H 1 48 ARG QD . . 4.760 4.618 4.496 4.715 . 0 0 "[ . 1 . 2]" 2
204 1 27 GLU HB3 1 28 GLU H . . 3.430 3.344 3.074 3.442 0.012 15 0 "[ . 1 . 2]" 2
205 1 30 GLN H 1 30 GLN HB3 . . 4.200 3.955 3.911 4.018 . 0 0 "[ . 1 . 2]" 2
206 1 30 GLN H 1 30 GLN HG2 . . 4.230 4.004 3.787 4.231 0.001 6 0 "[ . 1 . 2]" 2
207 1 29 ARG HB2 1 30 GLN H . . 3.750 3.681 3.391 3.774 0.024 13 0 "[ . 1 . 2]" 2
208 1 30 GLN H 1 30 GLN HB2 . . 3.570 2.978 2.882 3.182 . 0 0 "[ . 1 . 2]" 2
209 1 29 ARG HG2 1 30 GLN H . . 4.070 3.793 3.511 4.027 . 0 0 "[ . 1 . 2]" 2
210 1 29 ARG HB3 1 30 GLN H . . 3.620 2.343 2.091 2.468 . 0 0 "[ . 1 . 2]" 2
211 1 44 SER H 1 45 LEU H . . 4.530 4.438 4.359 4.494 . 0 0 "[ . 1 . 2]" 2
212 1 43 LEU MD1 1 44 SER H . . 4.080 2.184 1.877 3.698 . 0 0 "[ . 1 . 2]" 2
213 1 43 LEU MD2 1 44 SER H . . 4.080 3.867 2.872 4.036 . 0 0 "[ . 1 . 2]" 2
214 1 43 LEU HA 1 44 SER H . . 2.660 2.298 2.266 2.364 . 0 0 "[ . 1 . 2]" 2
215 1 44 SER H 1 44 SER HB2 . . 3.140 2.542 2.328 2.694 . 0 0 "[ . 1 . 2]" 2
216 1 44 SER H 1 44 SER HB3 . . 3.140 2.536 2.388 2.767 . 0 0 "[ . 1 . 2]" 2
217 1 43 LEU HG 1 44 SER H . . 3.680 2.326 1.969 2.549 . 0 0 "[ . 1 . 2]" 2
218 1 43 LEU HB3 1 44 SER H . . 3.990 3.924 3.786 3.991 0.001 10 0 "[ . 1 . 2]" 2
219 1 46 VAL HA 1 47 GLY H . . 3.500 2.158 2.144 2.288 . 0 0 "[ . 1 . 2]" 2
220 1 46 VAL MG2 1 47 GLY H . . 4.220 2.909 2.619 3.491 . 0 0 "[ . 1 . 2]" 2
221 1 34 ASP H 1 35 CYS H . . 3.610 2.332 2.219 2.476 . 0 0 "[ . 1 . 2]" 2
222 1 33 ASN HA 1 35 CYS H . . 5.390 5.250 5.144 5.376 . 0 0 "[ . 1 . 2]" 2
223 1 32 HIS HB2 1 35 CYS H . . 3.400 2.350 2.253 2.477 . 0 0 "[ . 1 . 2]" 2
224 1 32 HIS HB3 1 35 CYS H . . 3.610 2.906 2.765 3.083 . 0 0 "[ . 1 . 2]" 2
225 1 35 CYS H 1 35 CYS HB3 . . 3.680 3.593 3.588 3.602 . 0 0 "[ . 1 . 2]" 2
226 1 35 CYS H 1 35 CYS HB2 . . 3.360 2.534 2.484 2.582 . 0 0 "[ . 1 . 2]" 2
227 1 34 ASP HB2 1 35 CYS H . . 4.300 3.289 2.349 3.871 . 0 0 "[ . 1 . 2]" 2
228 1 35 CYS H 1 37 ASN HD22 . . 5.110 4.659 4.376 4.861 . 0 0 "[ . 1 . 2]" 2
229 1 34 ASP HB3 1 35 CYS H . . 4.300 2.598 2.240 3.488 . 0 0 "[ . 1 . 2]" 2
230 1 32 HIS H 1 35 CYS H . . 4.560 3.654 3.532 3.797 . 0 0 "[ . 1 . 2]" 2
231 1 61 ASP H 1 61 ASP HB2 . . 3.610 2.582 2.240 3.008 . 0 0 "[ . 1 . 2]" 2
232 1 41 CYS H 1 42 SER H . . 2.920 2.064 1.916 2.205 . 0 0 "[ . 1 . 2]" 2
233 1 42 SER H 1 43 LEU H . . 2.960 2.858 2.716 2.995 0.035 16 0 "[ . 1 . 2]" 2
234 1 40 LYS HA 1 42 SER H . . 4.810 4.409 4.248 4.553 . 0 0 "[ . 1 . 2]" 2
235 1 42 SER H 1 42 SER HA . . 2.680 2.281 2.274 2.295 . 0 0 "[ . 1 . 2]" 2
236 1 42 SER H 1 42 SER HB3 . . 3.980 3.786 3.010 4.083 0.103 8 0 "[ . 1 . 2]" 2
237 1 38 CYS HB3 1 42 SER H . . 3.500 1.992 1.875 2.281 . 0 0 "[ . 1 . 2]" 2
238 1 38 CYS HB2 1 42 SER H . . 4.140 3.749 3.626 4.039 . 0 0 "[ . 1 . 2]" 2
239 1 40 LYS H 1 42 SER H . . 3.710 2.899 2.733 3.021 . 0 0 "[ . 1 . 2]" 2
240 1 40 LYS HB3 1 42 SER H . . 5.230 4.396 4.189 4.528 . 0 0 "[ . 1 . 2]" 2
241 1 34 ASP H 1 34 ASP HB2 . . 3.770 2.683 2.275 3.192 . 0 0 "[ . 1 . 2]" 2
242 1 33 ASN HB2 1 34 ASP H . . 3.870 3.338 2.935 3.894 0.024 1 0 "[ . 1 . 2]" 2
243 1 34 ASP H 1 34 ASP HB3 . . 3.770 2.913 2.344 3.688 . 0 0 "[ . 1 . 2]" 2
244 1 49 GLY H 1 50 PHE H . . 4.520 3.422 3.240 3.618 . 0 0 "[ . 1 . 2]" 2
245 1 50 PHE H 1 50 PHE QE . . 4.490 4.062 3.903 4.222 . 0 0 "[ . 1 . 2]" 2
246 1 49 GLY HA2 1 50 PHE H . . 3.060 2.649 2.512 2.753 . 0 0 "[ . 1 . 2]" 2
247 1 50 PHE H 1 50 PHE QD . . 3.500 2.071 1.947 2.133 . 0 0 "[ . 1 . 2]" 2
248 1 50 PHE H 1 50 PHE HB3 . . 3.970 2.491 2.389 2.604 . 0 0 "[ . 1 . 2]" 2
249 1 67 SER H 1 68 GLY H . . 3.260 2.904 2.077 3.265 0.005 7 0 "[ . 1 . 2]" 2
250 1 67 SER HB2 1 68 GLY H . . 5.430 4.037 2.414 4.636 . 0 0 "[ . 1 . 2]" 2
251 1 67 SER HB3 1 68 GLY H . . 5.430 4.015 2.219 4.659 . 0 0 "[ . 1 . 2]" 2
252 1 52 THR H 1 52 THR HB . . 3.830 3.788 3.748 3.829 . 0 0 "[ . 1 . 2]" 2
253 1 51 LEU HA 1 52 THR H . . 2.720 2.630 2.590 2.653 . 0 0 "[ . 1 . 2]" 2
254 1 51 LEU HB3 1 52 THR H . . 3.260 2.034 1.951 2.071 . 0 0 "[ . 1 . 2]" 2
255 1 51 LEU HB2 1 52 THR H . . 3.170 3.062 2.938 3.176 0.006 13 0 "[ . 1 . 2]" 2
256 1 52 THR H 1 52 THR MG . . 3.190 3.166 3.066 3.207 0.017 10 0 "[ . 1 . 2]" 2
257 1 51 LEU MD2 1 52 THR H . . 4.010 3.731 3.582 3.883 . 0 0 "[ . 1 . 2]" 2
258 1 48 ARG HB3 1 49 GLY H . . 3.590 2.238 2.049 3.726 0.136 16 0 "[ . 1 . 2]" 2
259 1 48 ARG HB2 1 49 GLY H . . 3.590 3.151 2.356 3.340 . 0 0 "[ . 1 . 2]" 2
260 1 62 CYS HB2 1 63 GLY H . . 3.570 2.414 2.238 2.785 . 0 0 "[ . 1 . 2]" 2
261 1 58 LEU HB3 1 63 GLY H . . 3.710 3.293 3.111 3.621 . 0 0 "[ . 1 . 2]" 2
262 1 51 LEU MD1 1 63 GLY H . . 3.840 2.738 2.587 2.910 . 0 0 "[ . 1 . 2]" 2
263 1 37 ASN HB2 1 45 LEU H . . 5.500 5.299 4.835 5.515 0.015 3 0 "[ . 1 . 2]" 2
264 1 37 ASN HB3 1 45 LEU H . . 5.500 4.451 3.824 4.720 . 0 0 "[ . 1 . 2]" 2
265 1 45 LEU H 1 46 VAL HB . . 5.310 4.527 4.355 4.643 . 0 0 "[ . 1 . 2]" 2
266 1 45 LEU H 1 46 VAL HA . . 5.080 4.713 4.616 4.799 . 0 0 "[ . 1 . 2]" 2
267 1 36 PHE QE 1 45 LEU H . . 5.200 5.049 4.721 5.203 0.003 13 0 "[ . 1 . 2]" 2
268 1 37 ASN H 1 45 LEU H . . 5.190 4.859 4.702 4.998 . 0 0 "[ . 1 . 2]" 2
269 1 44 SER HA 1 46 VAL H . . 3.760 3.572 3.427 3.697 . 0 0 "[ . 1 . 2]" 2
270 1 46 VAL MG1 1 47 GLY H . . 5.120 4.202 4.146 4.244 . 0 0 "[ . 1 . 2]" 2
271 1 46 VAL H 1 47 GLY H . . 5.500 4.408 4.110 4.479 . 0 0 "[ . 1 . 2]" 2
272 1 46 VAL MG2 1 48 ARG H . . 5.150 4.726 4.566 5.022 . 0 0 "[ . 1 . 2]" 2
273 1 46 VAL MG1 1 48 ARG H . . 5.330 5.121 4.964 5.291 . 0 0 "[ . 1 . 2]" 2
274 1 48 ARG H 1 50 PHE H . . 5.500 3.998 3.780 4.173 . 0 0 "[ . 1 . 2]" 2
275 1 48 ARG QD 1 49 GLY H . . 5.050 4.333 3.897 4.658 . 0 0 "[ . 1 . 2]" 2
276 1 48 ARG H 1 49 GLY H . . 4.510 4.408 4.384 4.425 . 0 0 "[ . 1 . 2]" 2
277 1 31 TRP HE1 1 57 ILE MD . . 4.230 3.379 2.693 3.832 . 0 0 "[ . 1 . 2]" 2
278 1 31 TRP HE1 1 57 ILE HG12 . . 4.450 4.139 4.030 4.250 . 0 0 "[ . 1 . 2]" 2
279 1 31 TRP HB3 1 31 TRP HE1 . . 4.930 4.791 4.772 4.802 . 0 0 "[ . 1 . 2]" 2
280 1 10 GLY HA2 1 31 TRP HE1 . . 4.880 3.700 3.186 4.239 . 0 0 "[ . 1 . 2]" 2
281 1 31 TRP HE1 1 36 PHE QD . . 5.130 4.583 4.476 4.728 . 0 0 "[ . 1 . 2]" 2
282 1 31 TRP HE1 1 36 PHE QE . . 5.500 5.249 5.084 5.438 . 0 0 "[ . 1 . 2]" 2
283 1 10 GLY H 1 31 TRP HE1 . . 5.500 3.851 3.052 4.939 . 0 0 "[ . 1 . 2]" 2
284 1 51 LEU H 1 60 PRO HA . . 5.470 5.220 4.813 5.475 0.005 1 0 "[ . 1 . 2]" 2
285 1 50 PHE H 1 51 LEU H . . 5.000 4.640 4.628 4.646 . 0 0 "[ . 1 . 2]" 2
286 1 51 LEU H 1 52 THR H . . 4.870 4.450 4.412 4.481 . 0 0 "[ . 1 . 2]" 2
287 1 53 GLU H 1 54 ARG H . . 4.850 4.594 4.580 4.607 . 0 0 "[ . 1 . 2]" 2
288 1 54 ARG H 1 55 ASP H . . 5.140 3.364 3.311 3.430 . 0 0 "[ . 1 . 2]" 2
289 1 56 ASP H 1 57 ILE H . . 4.440 4.382 4.372 4.389 . 0 0 "[ . 1 . 2]" 2
290 1 39 LYS HG2 1 57 ILE H . . 5.300 4.384 3.880 5.050 . 0 0 "[ . 1 . 2]" 2
291 1 39 LYS HB3 1 57 ILE H . . 4.480 4.170 3.894 4.404 . 0 0 "[ . 1 . 2]" 2
292 1 31 TRP HZ2 1 57 ILE H . . 5.500 4.849 4.592 5.084 . 0 0 "[ . 1 . 2]" 2
293 1 50 PHE HB2 1 58 LEU H . . 4.210 3.795 3.666 3.918 . 0 0 "[ . 1 . 2]" 2
294 1 57 ILE H 1 58 LEU H . . 4.570 4.518 4.494 4.539 . 0 0 "[ . 1 . 2]" 2
295 1 45 LEU MD1 1 59 CYS H . . 4.360 3.948 3.738 4.140 . 0 0 "[ . 1 . 2]" 2
296 1 51 LEU MD1 1 62 CYS H . . 5.030 4.154 3.987 4.439 . 0 0 "[ . 1 . 2]" 2
297 1 58 LEU HB3 1 62 CYS H . . 4.860 4.488 4.346 4.652 . 0 0 "[ . 1 . 2]" 2
298 1 60 PRO HB2 1 62 CYS H . . 5.330 5.062 4.890 5.363 0.033 12 0 "[ . 1 . 2]" 2
299 1 63 GLY H 1 64 LYS QB . . 4.920 4.812 4.261 5.007 0.087 16 0 "[ . 1 . 2]" 2
300 1 66 ILE H 1 67 SER H . . 4.460 4.283 3.227 4.481 0.021 19 0 "[ . 1 . 2]" 2
301 1 65 ASP H 1 66 ILE H . . 3.460 2.882 2.609 3.166 . 0 0 "[ . 1 . 2]" 2
302 1 44 SER H 1 44 SER HG . . 5.010 4.261 4.124 4.389 . 0 0 "[ . 1 . 2]" 2
303 1 42 SER H 1 43 LEU HB2 . . 5.420 5.126 4.895 5.322 . 0 0 "[ . 1 . 2]" 2
304 1 39 LYS H 1 42 SER H . . 5.290 3.928 3.777 4.095 . 0 0 "[ . 1 . 2]" 2
305 1 39 LYS H 1 41 CYS H . . 4.970 3.903 3.703 4.096 . 0 0 "[ . 1 . 2]" 2
306 1 40 LYS H 1 41 CYS H . . 2.950 2.218 2.034 2.482 . 0 0 "[ . 1 . 2]" 2
307 1 40 LYS H 1 62 CYS HB3 . . 5.140 5.101 4.960 5.183 0.043 1 0 "[ . 1 . 2]" 2
308 1 38 CYS HB3 1 40 LYS H . . 4.920 3.160 2.980 3.366 . 0 0 "[ . 1 . 2]" 2
309 1 40 LYS H 1 59 CYS H . . 5.060 4.693 4.624 4.752 . 0 0 "[ . 1 . 2]" 2
310 1 39 LYS H 1 45 LEU MD1 . . 4.650 4.077 3.972 4.228 . 0 0 "[ . 1 . 2]" 2
311 1 38 CYS H 1 43 LEU HB2 . . 5.210 5.014 4.889 5.132 . 0 0 "[ . 1 . 2]" 2
312 1 37 ASN H 1 38 CYS H . . 4.810 4.350 4.287 4.393 . 0 0 "[ . 1 . 2]" 2
313 1 38 CYS H 1 58 LEU HA . . 5.500 5.197 5.024 5.433 . 0 0 "[ . 1 . 2]" 2
314 1 38 CYS H 1 43 LEU H . . 3.810 2.577 2.412 2.819 . 0 0 "[ . 1 . 2]" 2
315 1 38 CYS H 1 45 LEU H . . 4.250 4.112 3.994 4.234 . 0 0 "[ . 1 . 2]" 2
316 1 37 ASN H 1 45 LEU MD1 . . 4.770 3.632 3.193 3.923 . 0 0 "[ . 1 . 2]" 2
317 1 37 ASN H 1 57 ILE HG13 . . 5.300 4.855 4.431 5.087 . 0 0 "[ . 1 . 2]" 2
318 1 35 CYS HA 1 37 ASN H . . 5.500 4.971 4.649 5.316 . 0 0 "[ . 1 . 2]" 2
319 1 35 CYS H 1 36 PHE HB2 . . 5.170 4.940 4.882 5.050 . 0 0 "[ . 1 . 2]" 2
320 1 32 HIS HB2 1 34 ASP H . . 4.550 3.270 3.067 3.531 . 0 0 "[ . 1 . 2]" 2
321 1 32 HIS HD2 1 34 ASP H . . 5.500 5.434 5.281 5.519 0.019 13 0 "[ . 1 . 2]" 2
322 1 33 ASN HD21 1 34 ASP H . . 5.500 5.256 4.540 5.597 0.097 4 0 "[ . 1 . 2]" 2
323 1 33 ASN H 1 33 ASN HD22 . . 5.500 4.634 3.694 5.295 . 0 0 "[ . 1 . 2]" 2
324 1 32 HIS HB2 1 33 ASN H . . 4.500 3.950 3.746 4.227 . 0 0 "[ . 1 . 2]" 2
325 1 32 HIS H 1 32 HIS HD2 . . 5.270 4.619 4.370 4.826 . 0 0 "[ . 1 . 2]" 2
326 1 15 ILE MD 1 31 TRP H . . 4.570 3.033 2.725 3.507 . 0 0 "[ . 1 . 2]" 2
327 1 31 TRP H 1 31 TRP HZ3 . . 5.430 5.196 4.824 5.362 . 0 0 "[ . 1 . 2]" 2
328 1 26 PHE H 1 31 TRP H . . 5.130 4.772 4.614 4.924 . 0 0 "[ . 1 . 2]" 2
329 1 30 GLN H 1 31 TRP HE3 . . 5.240 4.424 4.158 4.617 . 0 0 "[ . 1 . 2]" 2
330 1 9 ALA H 1 30 GLN H . . 5.140 3.042 2.771 3.393 . 0 0 "[ . 1 . 2]" 2
331 1 30 GLN H 1 31 TRP H . . 5.340 4.389 4.349 4.413 . 0 0 "[ . 1 . 2]" 2
332 1 30 GLN H 1 31 TRP HZ3 . . 5.500 4.520 4.197 4.773 . 0 0 "[ . 1 . 2]" 2
333 1 30 GLN H 1 31 TRP HH2 . . 5.500 4.727 4.487 5.002 . 0 0 "[ . 1 . 2]" 2
334 1 26 PHE QB 1 29 ARG H . . 4.710 2.865 2.699 3.046 . 0 0 "[ . 1 . 2]" 2
335 1 26 PHE H 1 27 GLU H . . 4.550 4.470 4.442 4.502 . 0 0 "[ . 1 . 2]" 2
336 1 26 PHE H 1 30 GLN HG3 . . 4.690 3.657 3.281 4.240 . 0 0 "[ . 1 . 2]" 2
337 1 26 PHE H 1 29 ARG HB2 . . 5.240 4.919 4.750 5.054 . 0 0 "[ . 1 . 2]" 2
338 1 23 TYR QD 1 25 SER H . . 4.870 4.584 4.114 4.817 . 0 0 "[ . 1 . 2]" 2
339 1 25 SER H 1 31 TRP HE3 . . 5.500 5.241 4.939 5.503 0.003 5 0 "[ . 1 . 2]" 2
340 1 24 ILE H 1 24 ILE MG . . 4.280 3.809 3.774 3.842 . 0 0 "[ . 1 . 2]" 2
341 1 24 ILE H 1 32 HIS HD2 . . 5.090 4.245 3.918 4.679 . 0 0 "[ . 1 . 2]" 2
342 1 24 ILE H 1 32 HIS HA . . 5.000 2.750 2.610 2.882 . 0 0 "[ . 1 . 2]" 2
343 1 24 ILE H 1 30 GLN HA . . 5.500 5.473 5.363 5.523 0.023 2 0 "[ . 1 . 2]" 2
344 1 22 LYS H 1 23 TYR H . . 4.030 3.137 2.658 3.756 . 0 0 "[ . 1 . 2]" 2
345 1 13 ASN H 1 32 HIS HE1 . . 5.000 4.746 4.190 4.980 . 0 0 "[ . 1 . 2]" 2
346 1 22 LYS HA 1 23 TYR H . . 3.110 2.792 2.424 3.155 0.045 11 0 "[ . 1 . 2]" 2
347 1 36 PHE QD 1 37 ASN H . . 4.460 3.691 3.482 3.952 . 0 0 "[ . 1 . 2]" 2
348 1 22 LYS HB2 1 33 ASN HD22 . . 5.050 3.457 2.054 4.941 . 0 0 "[ . 1 . 2]" 2
349 1 22 LYS HB2 1 33 ASN HD21 . . 4.970 3.822 2.634 4.973 0.003 14 0 "[ . 1 . 2]" 2
350 1 33 ASN HD21 1 46 VAL MG1 . . 5.300 4.688 3.787 5.333 0.033 5 0 "[ . 1 . 2]" 2
351 1 10 GLY H 1 11 CYS H . . 4.920 3.012 2.463 3.284 . 0 0 "[ . 1 . 2]" 2
352 1 29 ARG HB2 1 29 ARG HE . . 4.740 4.236 2.352 4.784 0.044 13 0 "[ . 1 . 2]" 2
353 1 61 ASP H 1 63 GLY H . . 4.470 4.278 3.860 4.484 0.014 5 0 "[ . 1 . 2]" 2
354 1 58 LEU HB2 1 63 GLY H . . 4.480 3.716 3.428 4.096 . 0 0 "[ . 1 . 2]" 2
355 1 46 VAL MG2 1 47 GLY HA2 . . 4.240 3.808 3.652 3.964 . 0 0 "[ . 1 . 2]" 2
356 1 10 GLY HA3 1 35 CYS HB3 . . 3.770 2.283 2.027 2.437 . 0 0 "[ . 1 . 2]" 2
357 1 10 GLY HA3 1 35 CYS HB2 . . 4.030 3.615 3.266 3.926 . 0 0 "[ . 1 . 2]" 2
358 1 46 VAL MG2 1 47 GLY HA3 . . 4.240 3.323 3.158 3.571 . 0 0 "[ . 1 . 2]" 2
359 1 51 LEU MD2 1 63 GLY HA2 . . 3.500 3.230 2.969 3.424 . 0 0 "[ . 1 . 2]" 2
360 1 58 LEU HB3 1 63 GLY HA3 . . 4.420 4.360 4.202 4.448 0.028 13 0 "[ . 1 . 2]" 2
361 1 51 LEU HB2 1 63 GLY HA3 . . 4.190 3.881 3.539 4.084 . 0 0 "[ . 1 . 2]" 2
362 1 58 LEU HB2 1 63 GLY HA3 . . 3.850 3.806 3.580 3.878 0.028 8 0 "[ . 1 . 2]" 2
363 1 51 LEU MD1 1 63 GLY HA3 . . 3.400 2.245 2.005 2.525 . 0 0 "[ . 1 . 2]" 2
364 1 51 LEU MD2 1 63 GLY HA3 . . 3.590 2.019 1.929 2.209 . 0 0 "[ . 1 . 2]" 2
365 1 66 ILE HA 1 66 ILE MD . . 3.960 3.412 2.047 3.916 . 0 0 "[ . 1 . 2]" 2
366 1 63 GLY HA2 1 66 ILE MD . . 4.030 2.329 1.920 3.437 . 0 0 "[ . 1 . 2]" 2
367 1 53 GLU QG 1 66 ILE MD . . 4.370 3.452 2.574 4.377 0.007 12 0 "[ . 1 . 2]" 2
368 1 66 ILE HB 1 66 ILE MD . . 3.500 2.561 2.204 3.228 . 0 0 "[ . 1 . 2]" 2
369 1 51 LEU HB3 1 51 LEU MD2 . . 3.220 2.097 1.959 2.225 . 0 0 "[ . 1 . 2]" 2
370 1 15 ILE MD 1 32 HIS H . . 4.510 4.488 4.313 4.528 0.018 13 0 "[ . 1 . 2]" 2
371 1 15 ILE MD 1 32 HIS HD2 . . 4.300 3.508 3.030 3.972 . 0 0 "[ . 1 . 2]" 2
372 1 15 ILE MD 1 23 TYR HB2 . . 3.790 2.853 2.519 3.144 . 0 0 "[ . 1 . 2]" 2
373 1 8 CYS HB2 1 15 ILE MD . . 3.340 2.191 1.980 2.380 . 0 0 "[ . 1 . 2]" 2
374 1 15 ILE MD 1 30 GLN HB2 . . 3.420 2.303 2.012 2.546 . 0 0 "[ . 1 . 2]" 2
375 1 8 CYS HA 1 15 ILE MD . . 3.330 2.237 1.967 2.554 . 0 0 "[ . 1 . 2]" 2
376 1 15 ILE HA 1 15 ILE MD . . 4.010 3.868 3.809 3.907 . 0 0 "[ . 1 . 2]" 2
377 1 8 CYS HB3 1 15 ILE MD . . 4.100 3.440 3.232 3.688 . 0 0 "[ . 1 . 2]" 2
378 1 15 ILE MD 1 30 GLN HB3 . . 3.440 2.421 2.142 2.743 . 0 0 "[ . 1 . 2]" 2
379 1 31 TRP HZ2 1 57 ILE MD . . 4.180 3.531 2.818 3.885 . 0 0 "[ . 1 . 2]" 2
380 1 36 PHE QD 1 57 ILE MD . . 4.000 2.829 2.679 3.052 . 0 0 "[ . 1 . 2]" 2
381 1 36 PHE QE 1 57 ILE MD . . 4.020 2.264 2.018 2.465 . 0 0 "[ . 1 . 2]" 2
382 1 57 ILE HA 1 57 ILE MD . . 4.430 4.159 4.138 4.174 . 0 0 "[ . 1 . 2]" 2
383 1 57 ILE HB 1 57 ILE MD . . 3.270 2.321 2.200 2.426 . 0 0 "[ . 1 . 2]" 2
384 1 45 LEU MD1 1 57 ILE MD . . 3.440 2.177 1.847 2.659 . 0 0 "[ . 1 . 2]" 2
385 1 29 ARG HB2 1 29 ARG HD3 . . 4.070 3.407 2.778 3.875 . 0 0 "[ . 1 . 2]" 2
386 1 29 ARG HB3 1 29 ARG HD3 . . 3.900 2.587 2.135 3.544 . 0 0 "[ . 1 . 2]" 2
387 1 29 ARG HB2 1 29 ARG HD2 . . 4.070 2.769 2.169 3.690 . 0 0 "[ . 1 . 2]" 2
388 1 9 ALA MB 1 29 ARG HD2 . . 4.150 3.731 2.635 4.151 0.001 19 0 "[ . 1 . 2]" 2
389 1 29 ARG HB3 1 29 ARG HD2 . . 3.900 2.675 2.230 3.520 . 0 0 "[ . 1 . 2]" 2
390 1 24 ILE MD 1 36 PHE QD . . 4.190 2.714 2.321 3.399 . 0 0 "[ . 1 . 2]" 2
391 1 24 ILE HA 1 24 ILE MD . . 4.030 2.335 2.010 3.107 . 0 0 "[ . 1 . 2]" 2
392 1 24 ILE MD 1 46 VAL MG2 . . 3.100 2.102 1.744 2.876 . 0 0 "[ . 1 . 2]" 2
393 1 24 ILE MD 1 36 PHE HB3 . . 4.560 3.336 2.549 3.642 . 0 0 "[ . 1 . 2]" 2
394 1 24 ILE MD 1 31 TRP HB2 . . 4.920 4.229 2.861 4.635 . 0 0 "[ . 1 . 2]" 2
395 1 43 LEU HB2 1 44 SER H . . 3.900 3.806 3.700 3.890 . 0 0 "[ . 1 . 2]" 2
396 1 41 CYS HB2 1 43 LEU HB2 . . 4.270 3.690 3.504 3.851 . 0 0 "[ . 1 . 2]" 2
397 1 43 LEU HB2 1 43 LEU MD1 . . 3.130 2.238 2.053 2.353 . 0 0 "[ . 1 . 2]" 2
398 1 43 LEU HB2 1 43 LEU MD2 . . 3.130 2.551 2.395 3.131 0.001 17 0 "[ . 1 . 2]" 2
399 1 43 LEU HB3 1 45 LEU MD2 . . 4.570 3.749 2.929 4.142 . 0 0 "[ . 1 . 2]" 2
400 1 43 LEU H 1 43 LEU HB3 . . 3.290 2.350 2.277 2.438 . 0 0 "[ . 1 . 2]" 2
401 1 43 LEU HB3 1 43 LEU MD1 . . 3.340 3.146 2.695 3.185 . 0 0 "[ . 1 . 2]" 2
402 1 43 LEU HB3 1 43 LEU MD2 . . 3.340 2.165 2.033 2.321 . 0 0 "[ . 1 . 2]" 2
403 1 48 ARG HB2 1 48 ARG QD . . 3.450 2.588 2.486 2.805 . 0 0 "[ . 1 . 2]" 2
404 1 43 LEU MD2 1 48 ARG QD . . 4.750 3.263 2.301 3.546 . 0 0 "[ . 1 . 2]" 2
405 1 54 ARG HA 1 54 ARG HD2 . . 4.700 4.032 2.546 4.733 0.033 15 0 "[ . 1 . 2]" 2
406 1 54 ARG HB2 1 54 ARG HD2 . . 3.830 2.853 2.188 4.030 0.200 19 0 "[ . 1 . 2]" 2
407 1 54 ARG HB3 1 54 ARG HD2 . . 3.590 3.020 2.227 3.620 0.030 20 0 "[ . 1 . 2]" 2
408 1 48 ARG HB3 1 48 ARG QD . . 3.450 2.440 2.119 2.659 . 0 0 "[ . 1 . 2]" 2
409 1 54 ARG HB2 1 54 ARG HD3 . . 3.830 3.181 2.535 3.824 . 0 0 "[ . 1 . 2]" 2
410 1 54 ARG HB3 1 54 ARG HD3 . . 3.590 3.055 2.052 3.619 0.029 7 0 "[ . 1 . 2]" 2
411 1 56 ASP H 1 56 ASP HB2 . . 3.310 2.909 2.877 2.956 . 0 0 "[ . 1 . 2]" 2
412 1 53 GLU HB2 1 56 ASP HB2 . . 4.400 3.712 3.548 3.855 . 0 0 "[ . 1 . 2]" 2
413 1 56 ASP HB2 1 58 LEU MD2 . . 4.380 4.249 4.045 4.389 0.009 9 0 "[ . 1 . 2]" 2
414 1 56 ASP HB2 1 58 LEU MD1 . . 4.950 4.450 4.199 4.664 . 0 0 "[ . 1 . 2]" 2
415 1 56 ASP H 1 56 ASP HB3 . . 3.920 3.916 3.894 3.942 0.022 17 0 "[ . 1 . 2]" 2
416 1 39 LYS HB2 1 56 ASP HB3 . . 3.000 2.827 2.653 2.974 . 0 0 "[ . 1 . 2]" 2
417 1 39 LYS HB3 1 56 ASP HB3 . . 3.880 3.228 3.041 3.378 . 0 0 "[ . 1 . 2]" 2
418 1 56 ASP HB3 1 58 LEU MD1 . . 5.240 4.927 4.787 5.018 . 0 0 "[ . 1 . 2]" 2
419 1 45 LEU MD2 1 50 PHE HB2 . . 3.880 2.817 2.228 3.309 . 0 0 "[ . 1 . 2]" 2
420 1 45 LEU MD1 1 50 PHE HB2 . . 3.630 2.273 2.057 2.481 . 0 0 "[ . 1 . 2]" 2
421 1 50 PHE HB3 1 51 LEU H . . 4.190 3.929 3.766 4.022 . 0 0 "[ . 1 . 2]" 2
422 1 13 ASN HB2 1 32 HIS HE1 . . 4.400 3.537 2.240 4.359 . 0 0 "[ . 1 . 2]" 2
423 1 39 LYS QE 1 39 LYS HG2 . . 3.750 2.485 2.088 3.209 . 0 0 "[ . 1 . 2]" 2
424 1 61 ASP HA 1 64 LYS QE . . 5.460 3.836 2.031 5.152 . 0 0 "[ . 1 . 2]" 2
425 1 64 LYS QB 1 64 LYS QE . . 4.190 2.786 1.849 3.647 . 0 0 "[ . 1 . 2]" 2
426 1 40 LYS QE 1 40 LYS QG . . 3.240 2.285 2.026 2.560 . 0 0 "[ . 1 . 2]" 2
427 1 40 LYS QE 1 58 LEU MD2 . . 3.690 2.930 2.223 3.689 . 0 0 "[ . 1 . 2]" 2
428 1 40 LYS QE 1 58 LEU MD1 . . 4.060 3.634 3.080 4.098 0.038 17 0 "[ . 1 . 2]" 2
429 1 37 ASN HB3 1 38 CYS H . . 3.990 2.902 2.674 3.675 . 0 0 "[ . 1 . 2]" 2
430 1 61 ASP H 1 61 ASP HB3 . . 3.610 3.010 2.166 3.604 . 0 0 "[ . 1 . 2]" 2
431 1 26 PHE QB 1 27 GLU H . . 4.520 3.042 2.908 3.206 . 0 0 "[ . 1 . 2]" 2
432 1 26 PHE QB 1 31 TRP HZ3 . . 3.060 1.983 1.837 2.168 . 0 0 "[ . 1 . 2]" 2
433 1 26 PHE QB 1 50 PHE HZ . . 4.290 3.689 3.301 4.172 . 0 0 "[ . 1 . 2]" 2
434 1 24 ILE MG 1 26 PHE QB . . 4.200 3.578 3.340 3.856 . 0 0 "[ . 1 . 2]" 2
435 1 36 PHE QD 1 45 LEU HB2 . . 4.050 2.917 2.684 3.140 . 0 0 "[ . 1 . 2]" 2
436 1 36 PHE QE 1 45 LEU HB2 . . 3.990 3.319 2.656 3.588 . 0 0 "[ . 1 . 2]" 2
437 1 45 LEU HB2 1 50 PHE HB3 . . 3.850 3.694 3.402 3.806 . 0 0 "[ . 1 . 2]" 2
438 1 36 PHE QD 1 45 LEU HB3 . . 3.970 3.504 3.350 3.968 . 0 0 "[ . 1 . 2]" 2
439 1 36 PHE QE 1 45 LEU HB3 . . 4.040 2.709 2.466 2.877 . 0 0 "[ . 1 . 2]" 2
440 1 45 LEU HB3 1 45 LEU MD1 . . 3.390 2.369 2.246 2.472 . 0 0 "[ . 1 . 2]" 2
441 1 55 ASP H 1 55 ASP HB2 . . 3.950 2.839 2.486 3.833 . 0 0 "[ . 1 . 2]" 2
442 1 55 ASP H 1 55 ASP HB3 . . 3.950 3.334 2.657 3.851 . 0 0 "[ . 1 . 2]" 2
443 1 65 ASP H 1 65 ASP HB2 . . 4.180 2.639 2.229 3.603 . 0 0 "[ . 1 . 2]" 2
444 1 65 ASP H 1 65 ASP HB3 . . 4.180 2.953 2.174 3.717 . 0 0 "[ . 1 . 2]" 2
445 1 15 ILE MD 1 23 TYR HB3 . . 4.140 3.911 3.518 4.146 0.006 6 0 "[ . 1 . 2]" 2
446 1 24 ILE HB 1 31 TRP H . . 4.130 2.666 2.329 2.879 . 0 0 "[ . 1 . 2]" 2
447 1 24 ILE HB 1 31 TRP HE3 . . 4.200 2.990 2.707 3.452 . 0 0 "[ . 1 . 2]" 2
448 1 24 ILE HB 1 31 TRP HB3 . . 4.250 3.607 3.399 3.862 . 0 0 "[ . 1 . 2]" 2
449 1 24 ILE HB 1 31 TRP HB2 . . 3.470 2.136 1.997 2.289 . 0 0 "[ . 1 . 2]" 2
450 1 57 ILE H 1 57 ILE HB . . 3.880 3.707 3.649 3.749 . 0 0 "[ . 1 . 2]" 2
451 1 13 ASN H 1 13 ASN HB2 . . 4.010 2.877 2.561 3.813 . 0 0 "[ . 1 . 2]" 2
452 1 13 ASN H 1 13 ASN HB3 . . 4.010 3.539 2.506 3.886 . 0 0 "[ . 1 . 2]" 2
453 1 13 ASN HB3 1 32 HIS HE1 . . 4.400 3.863 3.007 4.366 . 0 0 "[ . 1 . 2]" 2
454 1 33 ASN HB3 1 34 ASP H . . 4.130 3.450 2.838 3.985 . 0 0 "[ . 1 . 2]" 2
455 1 33 ASN HB3 1 46 VAL MG1 . . 4.480 3.981 3.431 4.492 0.012 19 0 "[ . 1 . 2]" 2
456 1 15 ILE HB 1 15 ILE MD . . 3.260 2.342 2.216 2.454 . 0 0 "[ . 1 . 2]" 2
457 1 21 THR HB 1 22 LYS H . . 4.600 3.648 3.203 3.919 . 0 0 "[ . 1 . 2]" 2
458 1 22 LYS HA 1 23 TYR QD . . 4.520 4.220 3.977 4.388 . 0 0 "[ . 1 . 2]" 2
459 1 8 CYS HB2 1 23 TYR QD . . 5.450 5.046 4.563 5.410 . 0 0 "[ . 1 . 2]" 2
460 1 23 TYR QD 1 30 GLN HG2 . . 5.500 4.694 4.214 5.193 . 0 0 "[ . 1 . 2]" 2
461 1 23 TYR QD 1 30 GLN HB3 . . 3.760 2.866 2.643 3.172 . 0 0 "[ . 1 . 2]" 2
462 1 23 TYR QD 1 30 GLN HB2 . . 4.390 4.286 4.132 4.398 0.008 14 0 "[ . 1 . 2]" 2
463 1 21 THR MG 1 23 TYR QD . . 4.340 3.146 2.833 3.660 . 0 0 "[ . 1 . 2]" 2
464 1 15 ILE MD 1 23 TYR QD . . 4.030 2.159 1.904 2.799 . 0 0 "[ . 1 . 2]" 2
465 1 31 TRP HB2 1 36 PHE HB3 . . 4.260 4.164 3.973 4.281 0.021 19 0 "[ . 1 . 2]" 2
466 1 31 TRP HB3 1 36 PHE HB2 . . 3.920 2.594 2.408 2.820 . 0 0 "[ . 1 . 2]" 2
467 1 31 TRP HB2 1 36 PHE HB2 . . 3.860 2.548 2.348 2.715 . 0 0 "[ . 1 . 2]" 2
468 1 24 ILE MD 1 36 PHE HB2 . . 4.590 3.338 2.045 3.668 . 0 0 "[ . 1 . 2]" 2
469 1 50 PHE QD 1 52 THR MG . . 3.630 3.261 3.118 3.412 . 0 0 "[ . 1 . 2]" 2
470 1 50 PHE QD 1 57 ILE HB . . 3.670 3.373 2.686 3.668 . 0 0 "[ . 1 . 2]" 2
471 1 28 GLU HA 1 28 GLU HG2 . . 3.800 2.409 2.318 2.501 . 0 0 "[ . 1 . 2]" 2
472 1 28 GLU H 1 28 GLU HG2 . . 4.320 3.846 3.719 3.943 . 0 0 "[ . 1 . 2]" 2
473 1 28 GLU HA 1 28 GLU HG3 . . 3.800 3.312 3.223 3.416 . 0 0 "[ . 1 . 2]" 2
474 1 28 GLU H 1 28 GLU HG3 . . 4.320 3.203 3.043 3.432 . 0 0 "[ . 1 . 2]" 2
475 1 50 PHE HA 1 50 PHE QD . . 3.870 3.727 3.722 3.729 . 0 0 "[ . 1 . 2]" 2
476 1 45 LEU MD1 1 50 PHE QD . . 4.420 3.594 3.312 3.813 . 0 0 "[ . 1 . 2]" 2
477 1 53 GLU H 1 53 GLU QG . . 4.420 3.934 3.834 4.087 . 0 0 "[ . 1 . 2]" 2
478 1 53 GLU QG 1 58 LEU MD1 . . 3.690 2.068 1.921 2.627 . 0 0 "[ . 1 . 2]" 2
479 1 27 GLU HA 1 27 GLU HG2 . . 3.870 2.713 2.350 3.191 . 0 0 "[ . 1 . 2]" 2
480 1 26 PHE HA 1 26 PHE QD . . 3.620 2.331 2.157 2.539 . 0 0 "[ . 1 . 2]" 2
481 1 26 PHE QD 1 52 THR MG . . 3.890 3.570 3.448 3.700 . 0 0 "[ . 1 . 2]" 2
482 1 26 PHE HA 1 26 PHE QE . . 4.530 4.382 4.303 4.579 0.049 19 0 "[ . 1 . 2]" 2
483 1 31 TRP HB3 1 31 TRP HD1 . . 3.840 2.669 2.613 2.699 . 0 0 "[ . 1 . 2]" 2
484 1 31 TRP HB3 1 36 PHE QD . . 4.060 2.697 2.593 2.943 . 0 0 "[ . 1 . 2]" 2
485 1 31 TRP HB2 1 36 PHE QD . . 3.840 2.191 2.001 2.357 . 0 0 "[ . 1 . 2]" 2
486 1 31 TRP HB2 1 31 TRP HE3 . . 3.930 2.570 2.529 2.666 . 0 0 "[ . 1 . 2]" 2
487 1 26 PHE QD 1 29 ARG HB2 . . 4.260 2.780 2.305 3.239 . 0 0 "[ . 1 . 2]" 2
488 1 29 ARG HB2 1 31 TRP HH2 . . 3.640 2.430 2.242 2.706 . 0 0 "[ . 1 . 2]" 2
489 1 9 ALA MB 1 29 ARG HB2 . . 4.910 4.442 3.846 4.705 . 0 0 "[ . 1 . 2]" 2
490 1 36 PHE QE 1 45 LEU MD1 . . 5.030 3.467 3.372 3.585 . 0 0 "[ . 1 . 2]" 2
491 1 26 PHE QD 1 50 PHE QE . . 4.210 3.121 2.635 3.895 . 0 0 "[ . 1 . 2]" 2
492 1 26 PHE QE 1 50 PHE QE . . 4.600 3.390 2.775 4.123 . 0 0 "[ . 1 . 2]" 2
493 1 40 LYS HB3 1 62 CYS HB3 . . 3.580 3.366 3.243 3.462 . 0 0 "[ . 1 . 2]" 2
494 1 40 LYS HB3 1 40 LYS QD . . 3.340 2.474 2.097 2.947 . 0 0 "[ . 1 . 2]" 2
495 1 15 ILE MD 1 30 GLN HG2 . . 4.730 4.182 3.898 4.489 . 0 0 "[ . 1 . 2]" 2
496 1 40 LYS HB2 1 40 LYS QE . . 3.560 2.607 2.038 3.571 0.011 6 0 "[ . 1 . 2]" 2
497 1 40 LYS HB2 1 62 CYS HB3 . . 3.460 3.474 3.412 3.502 0.042 11 0 "[ . 1 . 2]" 2
498 1 40 LYS HB2 1 40 LYS QD . . 3.400 2.543 2.074 3.008 . 0 0 "[ . 1 . 2]" 2
499 1 25 SER HB2 1 26 PHE H . . 4.250 3.584 3.293 4.172 . 0 0 "[ . 1 . 2]" 2
500 1 25 SER H 1 25 SER HB2 . . 3.710 3.578 2.905 3.738 0.028 12 0 "[ . 1 . 2]" 2
501 1 25 SER HB3 1 26 PHE H . . 4.250 4.136 3.170 4.254 0.004 4 0 "[ . 1 . 2]" 2
502 1 39 LYS HB2 1 40 LYS H . . 4.200 4.069 3.895 4.241 0.041 20 0 "[ . 1 . 2]" 2
503 1 60 PRO HA 1 63 GLY H . . 4.280 3.827 3.525 4.065 . 0 0 "[ . 1 . 2]" 2
504 1 51 LEU MD1 1 60 PRO HA . . 3.090 1.999 1.770 2.162 . 0 0 "[ . 1 . 2]" 2
505 1 36 PHE QD 1 46 VAL HA . . 3.730 2.066 1.991 2.191 . 0 0 "[ . 1 . 2]" 2
506 1 46 VAL HA 1 46 VAL MG2 . . 3.070 2.442 2.308 2.501 . 0 0 "[ . 1 . 2]" 2
507 1 24 ILE MD 1 46 VAL HA . . 3.880 2.414 1.950 3.897 0.017 4 0 "[ . 1 . 2]" 2
508 1 22 LYS HB2 1 23 TYR H . . 4.450 4.183 3.775 4.450 . 0 0 "[ . 1 . 2]" 2
509 1 22 LYS HB2 1 22 LYS QD . . 2.700 2.456 2.132 2.694 . 0 0 "[ . 1 . 2]" 2
510 1 22 LYS HB3 1 23 TYR H . . 4.450 4.372 4.266 4.460 0.010 18 0 "[ . 1 . 2]" 2
511 1 64 LYS QB 1 65 ASP H . . 4.230 3.183 2.024 3.699 . 0 0 "[ . 1 . 2]" 2
512 1 41 CYS H 1 41 CYS HB2 . . 3.960 3.735 3.670 3.783 . 0 0 "[ . 1 . 2]" 2
513 1 41 CYS H 1 41 CYS HB3 . . 3.580 2.908 2.745 3.020 . 0 0 "[ . 1 . 2]" 2
514 1 14 PRO HB2 1 15 ILE H . . 4.290 3.298 2.471 3.986 . 0 0 "[ . 1 . 2]" 2
515 1 36 PHE HZ 1 50 PHE QE . . 4.250 2.845 2.769 3.063 . 0 0 "[ . 1 . 2]" 2
516 1 6 SER QB 1 7 GLY H . . 4.720 3.173 2.155 4.007 . 0 0 "[ . 1 . 2]" 2
517 1 32 HIS H 1 35 CYS HB3 . . 4.370 3.350 3.298 3.477 . 0 0 "[ . 1 . 2]" 2
518 1 31 TRP HD1 1 35 CYS HB3 . . 3.700 3.376 3.097 3.691 . 0 0 "[ . 1 . 2]" 2
519 1 10 GLY HA2 1 35 CYS HB3 . . 4.050 3.817 3.440 4.056 0.006 6 0 "[ . 1 . 2]" 2
520 1 35 CYS HB2 1 36 PHE H . . 4.310 2.558 2.379 2.691 . 0 0 "[ . 1 . 2]" 2
521 1 31 TRP HD1 1 35 CYS HB2 . . 4.160 3.922 3.674 4.163 0.003 20 0 "[ . 1 . 2]" 2
522 1 32 HIS HB2 1 35 CYS HB2 . . 3.210 2.043 1.987 2.202 . 0 0 "[ . 1 . 2]" 2
523 1 60 PRO HB3 1 61 ASP H . . 4.340 3.994 3.900 4.118 . 0 0 "[ . 1 . 2]" 2
524 1 51 LEU MD1 1 60 PRO HB3 . . 3.960 3.722 3.392 3.892 . 0 0 "[ . 1 . 2]" 2
525 1 60 PRO HB2 1 61 ASP H . . 3.870 2.659 2.515 2.855 . 0 0 "[ . 1 . 2]" 2
526 1 53 GLU HB3 1 56 ASP HB2 . . 4.400 2.585 2.501 2.663 . 0 0 "[ . 1 . 2]" 2
527 1 53 GLU HB3 1 58 LEU MD1 . . 3.630 3.423 3.169 3.640 0.010 19 0 "[ . 1 . 2]" 2
528 1 62 CYS HA 1 62 CYS HB3 . . 2.800 2.525 2.485 2.566 . 0 0 "[ . 1 . 2]" 2
529 1 11 CYS H 1 11 CYS HB2 . . 3.680 3.630 3.614 3.651 . 0 0 "[ . 1 . 2]" 2
530 1 11 CYS H 1 11 CYS HB3 . . 3.680 2.796 2.713 2.915 . 0 0 "[ . 1 . 2]" 2
531 1 31 TRP HB2 1 35 CYS HB2 . . 4.940 4.705 4.550 4.754 . 0 0 "[ . 1 . 2]" 2
532 1 38 CYS HB3 1 41 CYS H . . 3.290 2.609 2.400 2.906 . 0 0 "[ . 1 . 2]" 2
533 1 38 CYS HB3 1 43 LEU H . . 3.230 1.871 1.835 1.894 . 0 0 "[ . 1 . 2]" 2
534 1 38 CYS HB3 1 42 SER HA . . 3.980 2.703 2.532 2.878 . 0 0 "[ . 1 . 2]" 2
535 1 38 CYS HB3 1 43 LEU HB2 . . 4.580 4.408 4.272 4.491 . 0 0 "[ . 1 . 2]" 2
536 1 38 CYS HB3 1 43 LEU HB3 . . 3.850 3.528 3.338 3.640 . 0 0 "[ . 1 . 2]" 2
537 1 38 CYS HB3 1 45 LEU MD2 . . 4.800 4.549 3.883 4.816 0.016 1 0 "[ . 1 . 2]" 2
538 1 38 CYS HB3 1 45 LEU MD1 . . 4.310 4.204 4.062 4.317 0.007 5 0 "[ . 1 . 2]" 2
539 1 38 CYS HB2 1 39 LYS H . . 4.480 3.848 3.824 3.892 . 0 0 "[ . 1 . 2]" 2
540 1 38 CYS HB2 1 43 LEU H . . 3.650 2.424 2.284 2.532 . 0 0 "[ . 1 . 2]" 2
541 1 38 CYS HB2 1 59 CYS HB3 . . 2.630 2.449 2.330 2.627 . 0 0 "[ . 1 . 2]" 2
542 1 38 CYS HB2 1 43 LEU HB3 . . 3.970 2.950 2.635 3.093 . 0 0 "[ . 1 . 2]" 2
543 1 38 CYS HB2 1 45 LEU HG . . 4.450 3.230 3.051 3.597 . 0 0 "[ . 1 . 2]" 2
544 1 38 CYS HB2 1 45 LEU MD2 . . 3.770 3.066 2.443 3.315 . 0 0 "[ . 1 . 2]" 2
545 1 8 CYS HB3 1 13 ASN H . . 4.010 2.918 2.273 3.346 . 0 0 "[ . 1 . 2]" 2
546 1 8 CYS H 1 8 CYS HB3 . . 3.300 2.291 2.239 2.394 . 0 0 "[ . 1 . 2]" 2
547 1 8 CYS HB3 1 11 CYS H . . 3.890 3.741 3.502 3.885 . 0 0 "[ . 1 . 2]" 2
548 1 8 CYS HB3 1 32 HIS HE1 . . 4.000 3.136 2.890 3.494 . 0 0 "[ . 1 . 2]" 2
549 1 8 CYS HB3 1 15 ILE HG13 . . 4.400 3.236 2.889 3.606 . 0 0 "[ . 1 . 2]" 2
550 1 8 CYS HB3 1 15 ILE HG12 . . 4.120 3.326 3.015 3.644 . 0 0 "[ . 1 . 2]" 2
551 1 8 CYS HB2 1 32 HIS H . . 4.620 4.050 3.541 4.344 . 0 0 "[ . 1 . 2]" 2
552 1 8 CYS HB2 1 9 ALA H . . 4.930 4.290 4.047 4.432 . 0 0 "[ . 1 . 2]" 2
553 1 8 CYS HB2 1 13 ASN H . . 5.310 4.638 4.009 5.081 . 0 0 "[ . 1 . 2]" 2
554 1 8 CYS H 1 8 CYS HB2 . . 3.430 2.899 2.666 3.228 . 0 0 "[ . 1 . 2]" 2
555 1 8 CYS HB2 1 11 CYS H . . 4.820 4.653 4.547 4.723 . 0 0 "[ . 1 . 2]" 2
556 1 8 CYS HB2 1 32 HIS HE1 . . 3.910 3.585 3.181 3.907 . 0 0 "[ . 1 . 2]" 2
557 1 8 CYS HB2 1 15 ILE HG13 . . 3.870 2.841 2.399 3.286 . 0 0 "[ . 1 . 2]" 2
558 1 8 CYS HB2 1 15 ILE HG12 . . 3.710 2.371 1.998 2.749 . 0 0 "[ . 1 . 2]" 2
559 1 32 HIS H 1 32 HIS HB2 . . 3.790 2.404 2.321 2.490 . 0 0 "[ . 1 . 2]" 2
560 1 32 HIS HB2 1 35 CYS HB3 . . 3.760 3.607 3.517 3.763 0.003 16 0 "[ . 1 . 2]" 2
561 1 32 HIS H 1 32 HIS HB3 . . 3.970 3.625 3.578 3.686 . 0 0 "[ . 1 . 2]" 2
562 1 32 HIS HB3 1 34 ASP H . . 4.080 2.463 2.349 2.583 . 0 0 "[ . 1 . 2]" 2
563 1 32 HIS HB3 1 32 HIS HD2 . . 3.940 3.287 3.151 3.437 . 0 0 "[ . 1 . 2]" 2
564 1 32 HIS HB3 1 35 CYS HB2 . . 4.230 3.683 3.567 3.855 . 0 0 "[ . 1 . 2]" 2
565 1 40 LYS HB3 1 62 CYS HB2 . . 4.210 3.983 3.868 4.119 . 0 0 "[ . 1 . 2]" 2
566 1 40 LYS HB2 1 62 CYS HB2 . . 4.440 4.272 4.094 4.384 . 0 0 "[ . 1 . 2]" 2
567 1 40 LYS QD 1 62 CYS HB2 . . 4.290 4.076 3.829 4.334 0.044 17 0 "[ . 1 . 2]" 2
568 1 58 LEU MD1 1 62 CYS HB2 . . 4.340 4.015 3.636 4.250 . 0 0 "[ . 1 . 2]" 2
569 1 58 LEU MD2 1 62 CYS HB2 . . 3.780 3.395 3.209 3.592 . 0 0 "[ . 1 . 2]" 2
570 1 59 CYS H 1 62 CYS HB3 . . 4.260 4.105 3.901 4.282 0.022 14 0 "[ . 1 . 2]" 2
571 1 62 CYS H 1 62 CYS HB3 . . 3.830 3.598 3.578 3.625 . 0 0 "[ . 1 . 2]" 2
572 1 62 CYS HB3 1 63 GLY H . . 4.040 3.337 3.171 3.675 . 0 0 "[ . 1 . 2]" 2
573 1 58 LEU HB3 1 62 CYS HB3 . . 3.660 3.229 3.054 3.491 . 0 0 "[ . 1 . 2]" 2
574 1 42 SER H 1 42 SER HB2 . . 3.980 3.339 3.090 3.976 . 0 0 "[ . 1 . 2]" 2
575 1 66 ILE HA 1 66 ILE HG13 . . 4.010 3.124 2.726 3.744 . 0 0 "[ . 1 . 2]" 2
576 1 66 ILE HA 1 66 ILE MG . . 3.290 2.383 2.290 2.453 . 0 0 "[ . 1 . 2]" 2
577 1 9 ALA MB 1 31 TRP HD1 . . 4.400 3.415 3.083 3.985 . 0 0 "[ . 1 . 2]" 2
578 1 10 GLY HA2 1 31 TRP HD1 . . 4.260 3.134 2.647 3.699 . 0 0 "[ . 1 . 2]" 2
579 1 10 GLY HA3 1 31 TRP HD1 . . 3.540 2.597 2.280 3.006 . 0 0 "[ . 1 . 2]" 2
580 1 59 CYS H 1 59 CYS HB2 . . 3.950 3.702 3.668 3.727 . 0 0 "[ . 1 . 2]" 2
581 1 59 CYS HB2 1 61 ASP H . . 4.200 3.127 2.996 3.233 . 0 0 "[ . 1 . 2]" 2
582 1 45 LEU MD2 1 59 CYS HB2 . . 3.410 2.402 2.239 2.694 . 0 0 "[ . 1 . 2]" 2
583 1 59 CYS HB3 1 60 PRO HD3 . . 4.280 4.088 4.024 4.149 . 0 0 "[ . 1 . 2]" 2
584 1 45 LEU HG 1 59 CYS HB3 . . 4.870 3.508 3.239 4.152 . 0 0 "[ . 1 . 2]" 2
585 1 45 LEU MD2 1 59 CYS HB3 . . 3.280 1.896 1.773 2.012 . 0 0 "[ . 1 . 2]" 2
586 1 45 LEU MD1 1 59 CYS HB3 . . 4.320 3.416 3.056 3.759 . 0 0 "[ . 1 . 2]" 2
587 1 61 ASP HA 1 64 LYS QD . . 4.030 2.514 1.923 3.796 . 0 0 "[ . 1 . 2]" 2
588 1 40 LYS QD 1 58 LEU MD2 . . 4.320 3.378 2.317 4.186 . 0 0 "[ . 1 . 2]" 2
589 1 40 LYS QD 1 62 CYS HB3 . . 3.300 2.683 2.301 3.126 . 0 0 "[ . 1 . 2]" 2
590 1 40 LYS HA 1 40 LYS QD . . 4.140 4.004 3.698 4.112 . 0 0 "[ . 1 . 2]" 2
591 1 22 LYS HA 1 22 LYS QD . . 4.220 4.023 3.657 4.196 . 0 0 "[ . 1 . 2]" 2
592 1 22 LYS HB3 1 22 LYS QD . . 2.700 2.441 2.111 2.701 0.001 13 0 "[ . 1 . 2]" 2
593 1 15 ILE HA 1 15 ILE HG13 . . 3.890 2.950 2.831 3.194 . 0 0 "[ . 1 . 2]" 2
594 1 15 ILE HA 1 15 ILE HG12 . . 3.270 2.627 2.491 2.704 . 0 0 "[ . 1 . 2]" 2
595 1 50 PHE HA 1 60 PRO HG3 . . 5.020 3.776 3.552 3.933 . 0 0 "[ . 1 . 2]" 2
596 1 51 LEU MD1 1 60 PRO HG2 . . 4.770 4.282 4.017 4.573 . 0 0 "[ . 1 . 2]" 2
597 1 15 ILE HA 1 15 ILE MG . . 3.400 2.333 2.220 2.473 . 0 0 "[ . 1 . 2]" 2
598 1 28 GLU H 1 28 GLU HB2 . . 4.110 2.694 2.619 2.742 . 0 0 "[ . 1 . 2]" 2
599 1 28 GLU H 1 28 GLU HB3 . . 4.110 3.808 3.765 3.834 . 0 0 "[ . 1 . 2]" 2
600 1 35 CYS HA 1 37 ASN HD21 . . 3.660 3.349 3.041 3.623 . 0 0 "[ . 1 . 2]" 2
601 1 35 CYS HA 1 37 ASN HD22 . . 3.570 3.164 2.323 3.581 0.011 8 0 "[ . 1 . 2]" 2
602 1 26 PHE QB 1 31 TRP HH2 . . 4.010 3.544 3.375 3.767 . 0 0 "[ . 1 . 2]" 2
603 1 54 ARG HA 1 54 ARG HG2 . . 3.710 2.858 2.415 3.478 . 0 0 "[ . 1 . 2]" 2
604 1 38 CYS HA 1 58 LEU HA . . 3.320 2.681 2.508 2.877 . 0 0 "[ . 1 . 2]" 2
605 1 38 CYS HA 1 39 LYS HB2 . . 4.630 4.179 4.134 4.244 . 0 0 "[ . 1 . 2]" 2
606 1 38 CYS HA 1 59 CYS H . . 4.170 3.935 3.831 3.983 . 0 0 "[ . 1 . 2]" 2
607 1 38 CYS HA 1 39 LYS H . . 2.850 2.437 2.401 2.462 . 0 0 "[ . 1 . 2]" 2
608 1 38 CYS HA 1 59 CYS HB3 . . 4.140 4.051 3.954 4.164 0.024 2 0 "[ . 1 . 2]" 2
609 1 38 CYS HA 1 57 ILE HG13 . . 4.350 3.363 3.209 3.597 . 0 0 "[ . 1 . 2]" 2
610 1 38 CYS HA 1 45 LEU MD2 . . 5.150 3.634 3.236 3.923 . 0 0 "[ . 1 . 2]" 2
611 1 38 CYS HA 1 45 LEU MD1 . . 3.440 2.031 1.945 2.225 . 0 0 "[ . 1 . 2]" 2
612 1 54 ARG HG2 1 55 ASP H . . 4.810 4.565 4.224 4.707 . 0 0 "[ . 1 . 2]" 2
613 1 54 ARG HG3 1 55 ASP H . . 4.810 4.254 3.940 4.582 . 0 0 "[ . 1 . 2]" 2
614 1 23 TYR HB3 1 32 HIS HA . . 3.910 3.740 3.429 3.898 . 0 0 "[ . 1 . 2]" 2
615 1 15 ILE MD 1 32 HIS HA . . 4.490 3.979 3.664 4.193 . 0 0 "[ . 1 . 2]" 2
616 1 58 LEU H 1 58 LEU HG . . 4.120 3.173 3.047 3.319 . 0 0 "[ . 1 . 2]" 2
617 1 58 LEU HA 1 58 LEU HG . . 4.080 2.974 2.933 3.036 . 0 0 "[ . 1 . 2]" 2
618 1 58 LEU HB2 1 58 LEU HG . . 2.840 2.602 2.555 2.636 . 0 0 "[ . 1 . 2]" 2
619 1 54 ARG HB2 1 55 ASP H . . 3.360 2.007 1.907 2.118 . 0 0 "[ . 1 . 2]" 2
620 1 54 ARG HB2 1 56 ASP H . . 4.130 4.125 4.082 4.148 0.018 13 0 "[ . 1 . 2]" 2
621 1 29 ARG HA 1 29 ARG HG3 . . 3.630 3.180 2.735 3.358 . 0 0 "[ . 1 . 2]" 2
622 1 51 LEU HG 1 60 PRO HA . . 4.040 3.878 3.539 4.055 0.015 20 0 "[ . 1 . 2]" 2
623 1 51 LEU H 1 51 LEU HG . . 3.960 3.275 3.163 3.557 . 0 0 "[ . 1 . 2]" 2
624 1 51 LEU HA 1 51 LEU HG . . 3.890 2.560 2.483 2.637 . 0 0 "[ . 1 . 2]" 2
625 1 51 LEU HB3 1 51 LEU HG . . 2.940 2.654 2.604 2.676 . 0 0 "[ . 1 . 2]" 2
626 1 52 THR HA 1 58 LEU H . . 4.130 3.913 3.788 4.121 . 0 0 "[ . 1 . 2]" 2
627 1 52 THR HA 1 53 GLU H . . 2.800 2.188 2.154 2.203 . 0 0 "[ . 1 . 2]" 2
628 1 52 THR HA 1 57 ILE HA . . 3.410 2.769 2.672 2.908 . 0 0 "[ . 1 . 2]" 2
629 1 52 THR HA 1 52 THR MG . . 3.130 2.212 2.126 2.344 . 0 0 "[ . 1 . 2]" 2
630 1 52 THR HA 1 57 ILE MG . . 4.290 2.728 2.523 2.896 . 0 0 "[ . 1 . 2]" 2
631 1 41 CYS HA 1 41 CYS HB2 . . 2.950 2.425 2.408 2.456 . 0 0 "[ . 1 . 2]" 2
632 1 41 CYS HA 1 41 CYS HB3 . . 3.020 2.482 2.450 2.501 . 0 0 "[ . 1 . 2]" 2
633 1 27 GLU HB2 1 28 GLU H . . 3.430 2.350 2.143 2.463 . 0 0 "[ . 1 . 2]" 2
634 1 66 ILE HA 1 66 ILE HG12 . . 4.010 2.710 2.487 3.038 . 0 0 "[ . 1 . 2]" 2
635 1 11 CYS HA 1 12 THR MG . . 4.250 3.809 3.698 3.894 . 0 0 "[ . 1 . 2]" 2
636 1 24 ILE HA 1 24 ILE HG12 . . 4.030 3.191 2.904 3.727 . 0 0 "[ . 1 . 2]" 2
637 1 24 ILE HA 1 24 ILE MG . . 3.180 2.256 2.141 2.448 . 0 0 "[ . 1 . 2]" 2
638 1 45 LEU HA 1 48 ARG HG2 . . 4.540 4.368 2.017 4.553 0.013 14 0 "[ . 1 . 2]" 2
639 1 15 ILE HG13 1 15 ILE MG . . 3.250 3.191 3.176 3.203 . 0 0 "[ . 1 . 2]" 2
640 1 39 LYS HB3 1 40 LYS HA . . 4.560 4.366 4.215 4.553 . 0 0 "[ . 1 . 2]" 2
641 1 24 ILE HA 1 24 ILE HG13 . . 4.030 3.542 2.399 3.859 . 0 0 "[ . 1 . 2]" 2
642 1 58 LEU HA 1 58 LEU MD1 . . 4.630 3.952 3.924 3.973 . 0 0 "[ . 1 . 2]" 2
643 1 58 LEU MD1 1 63 GLY HA2 . . 3.550 3.076 2.836 3.255 . 0 0 "[ . 1 . 2]" 2
644 1 58 LEU MD1 1 63 GLY HA3 . . 3.980 3.835 3.677 3.983 0.003 18 0 "[ . 1 . 2]" 2
645 1 53 GLU HB2 1 58 LEU MD1 . . 3.630 2.187 1.958 2.563 . 0 0 "[ . 1 . 2]" 2
646 1 26 PHE H 1 31 TRP HZ3 . . 4.130 4.105 3.953 4.140 0.010 18 0 "[ . 1 . 2]" 2
647 1 29 ARG HB2 1 31 TRP HZ3 . . 4.270 3.286 2.950 3.531 . 0 0 "[ . 1 . 2]" 2
648 1 40 LYS HA 1 40 LYS QG . . 3.320 2.249 2.147 2.349 . 0 0 "[ . 1 . 2]" 2
649 1 43 LEU H 1 43 LEU HG . . 4.460 4.317 4.211 4.501 0.041 17 0 "[ . 1 . 2]" 2
650 1 27 GLU HA 1 27 GLU HG3 . . 3.870 3.475 2.966 3.782 . 0 0 "[ . 1 . 2]" 2
651 1 40 LYS QG 1 62 CYS HB3 . . 4.370 4.326 4.049 4.432 0.062 20 0 "[ . 1 . 2]" 2
652 1 45 LEU HA 1 45 LEU HG . . 3.960 2.987 2.854 3.260 . 0 0 "[ . 1 . 2]" 2
653 1 45 LEU HB2 1 45 LEU HG . . 2.570 2.473 2.428 2.525 . 0 0 "[ . 1 . 2]" 2
654 1 51 LEU MD1 1 52 THR H . . 4.580 4.530 4.489 4.580 . 0 0 "[ . 1 . 2]" 2
655 1 51 LEU HB3 1 51 LEU MD1 . . 3.350 3.119 3.097 3.151 . 0 0 "[ . 1 . 2]" 2
656 1 51 LEU HB2 1 51 LEU MD1 . . 3.270 2.080 1.985 2.214 . 0 0 "[ . 1 . 2]" 2
657 1 8 CYS HA 1 9 ALA H . . 2.970 2.174 2.139 2.217 . 0 0 "[ . 1 . 2]" 2
658 1 8 CYS HA 1 31 TRP HA . . 3.880 2.544 2.162 2.781 . 0 0 "[ . 1 . 2]" 2
659 1 8 CYS HA 1 9 ALA MB . . 4.090 3.975 3.915 4.022 . 0 0 "[ . 1 . 2]" 2
660 1 33 ASN HA 1 36 PHE HB3 . . 4.200 3.919 3.805 4.073 . 0 0 "[ . 1 . 2]" 2
661 1 33 ASN HA 1 33 ASN HB3 . . 2.990 2.762 2.523 2.982 . 0 0 "[ . 1 . 2]" 2
662 1 33 ASN HA 1 36 PHE HB2 . . 4.180 4.071 3.743 4.194 0.014 12 0 "[ . 1 . 2]" 2
663 1 24 ILE HG12 1 33 ASN HA . . 4.370 3.097 2.267 4.080 . 0 0 "[ . 1 . 2]" 2
664 1 24 ILE HG13 1 33 ASN HA . . 4.370 3.670 3.065 4.125 . 0 0 "[ . 1 . 2]" 2
665 1 24 ILE MD 1 33 ASN HA . . 3.860 2.688 1.891 3.081 . 0 0 "[ . 1 . 2]" 2
666 1 64 LYS HA 1 66 ILE H . . 4.490 4.154 3.311 4.488 . 0 0 "[ . 1 . 2]" 2
667 1 64 LYS HA 1 64 LYS QD . . 4.540 4.228 3.715 4.583 0.043 18 0 "[ . 1 . 2]" 2
668 1 64 LYS HA 1 64 LYS QG . . 3.580 3.065 2.160 3.421 . 0 0 "[ . 1 . 2]" 2
669 1 36 PHE HA 1 37 ASN H . . 2.940 2.203 2.151 2.265 . 0 0 "[ . 1 . 2]" 2
670 1 36 PHE HA 1 36 PHE QD . . 3.280 2.070 2.003 2.206 . 0 0 "[ . 1 . 2]" 2
671 1 31 TRP HB3 1 36 PHE HA . . 4.250 2.666 2.562 2.777 . 0 0 "[ . 1 . 2]" 2
672 1 36 PHE HA 1 57 ILE MD . . 3.720 3.322 3.189 3.573 . 0 0 "[ . 1 . 2]" 2
673 1 39 LYS HB3 1 58 LEU MD2 . . 3.240 2.139 1.901 2.401 . 0 0 "[ . 1 . 2]" 2
674 1 30 GLN HA 1 31 TRP HE3 . . 3.620 2.798 2.526 2.997 . 0 0 "[ . 1 . 2]" 2
675 1 31 TRP HE3 1 36 PHE QE . . 4.040 2.869 2.655 3.086 . 0 0 "[ . 1 . 2]" 2
676 1 58 LEU MD2 1 62 CYS HB3 . . 3.350 3.104 2.887 3.349 . 0 0 "[ . 1 . 2]" 2
677 1 56 ASP HB3 1 58 LEU MD2 . . 4.020 4.000 3.827 4.042 0.022 13 0 "[ . 1 . 2]" 2
678 1 40 LYS HB3 1 58 LEU MD2 . . 3.860 3.307 3.133 3.514 . 0 0 "[ . 1 . 2]" 2
679 1 57 ILE H 1 58 LEU MD2 . . 4.880 4.524 4.353 4.652 . 0 0 "[ . 1 . 2]" 2
680 1 58 LEU MD2 1 63 GLY H . . 5.460 4.688 4.480 4.979 . 0 0 "[ . 1 . 2]" 2
681 1 39 LYS HA 1 58 LEU MD2 . . 4.390 4.166 3.928 4.392 0.002 13 0 "[ . 1 . 2]" 2
682 1 38 CYS HA 1 58 LEU MD2 . . 4.240 3.989 3.764 4.194 . 0 0 "[ . 1 . 2]" 2
683 1 39 LYS HB2 1 58 LEU MD2 . . 3.670 3.113 2.825 3.405 . 0 0 "[ . 1 . 2]" 2
684 1 40 LYS HB2 1 58 LEU MD2 . . 3.690 2.181 1.894 2.437 . 0 0 "[ . 1 . 2]" 2
685 1 58 LEU HB3 1 58 LEU MD2 . . 2.830 2.230 2.055 2.308 . 0 0 "[ . 1 . 2]" 2
686 1 61 ASP HA 1 64 LYS QB . . 4.030 3.553 2.657 4.016 . 0 0 "[ . 1 . 2]" 2
687 1 61 ASP HA 1 64 LYS QG . . 4.390 3.254 2.141 4.398 0.008 14 0 "[ . 1 . 2]" 2
688 1 45 LEU MD1 1 57 ILE HG13 . . 4.360 3.260 3.041 3.520 . 0 0 "[ . 1 . 2]" 2
689 1 18 LEU HA 1 18 LEU MD1 . . 4.410 3.037 1.889 3.946 . 0 0 "[ . 1 . 2]" 2
690 1 45 LEU MD1 1 58 LEU HA . . 3.990 3.336 3.090 3.521 . 0 0 "[ . 1 . 2]" 2
691 1 45 LEU MD1 1 59 CYS HA . . 3.660 3.415 3.131 3.665 0.005 20 0 "[ . 1 . 2]" 2
692 1 45 LEU MD1 1 50 PHE HB3 . . 3.170 2.648 2.320 2.980 . 0 0 "[ . 1 . 2]" 2
693 1 38 CYS HB2 1 45 LEU MD1 . . 3.470 3.196 3.006 3.345 . 0 0 "[ . 1 . 2]" 2
694 1 45 LEU HB2 1 45 LEU MD1 . . 3.080 2.269 2.154 2.412 . 0 0 "[ . 1 . 2]" 2
695 1 45 LEU MD1 1 57 ILE HB . . 3.180 2.961 2.627 3.134 . 0 0 "[ . 1 . 2]" 2
696 1 45 LEU MD1 1 57 ILE MG . . 3.970 3.873 3.566 3.988 0.018 16 0 "[ . 1 . 2]" 2
697 1 25 SER HA 1 31 TRP HE3 . . 4.870 4.582 4.358 4.818 . 0 0 "[ . 1 . 2]" 2
698 1 25 SER HA 1 30 GLN HG2 . . 3.850 2.304 2.005 3.119 . 0 0 "[ . 1 . 2]" 2
699 1 43 LEU H 1 43 LEU MD2 . . 4.550 4.165 3.785 4.284 . 0 0 "[ . 1 . 2]" 2
700 1 43 LEU HA 1 43 LEU MD2 . . 4.010 3.947 3.526 4.001 . 0 0 "[ . 1 . 2]" 2
701 1 31 TRP HA 1 32 HIS H . . 3.300 2.627 2.508 2.654 . 0 0 "[ . 1 . 2]" 2
702 1 9 ALA H 1 31 TRP HA . . 4.090 3.235 2.615 3.680 . 0 0 "[ . 1 . 2]" 2
703 1 15 ILE MD 1 31 TRP HA . . 3.950 3.211 2.826 3.475 . 0 0 "[ . 1 . 2]" 2
704 1 39 LYS HA 1 39 LYS HG2 . . 3.930 3.019 2.165 3.723 . 0 0 "[ . 1 . 2]" 2
705 1 39 LYS HA 1 39 LYS HG3 . . 3.930 3.024 2.513 3.479 . 0 0 "[ . 1 . 2]" 2
706 1 39 LYS QE 1 39 LYS HG3 . . 3.750 2.739 2.053 3.409 . 0 0 "[ . 1 . 2]" 2
707 1 51 LEU H 1 51 LEU MD2 . . 4.580 4.167 4.058 4.326 . 0 0 "[ . 1 . 2]" 2
708 1 51 LEU HA 1 51 LEU MD2 . . 3.660 3.556 3.495 3.663 0.003 2 0 "[ . 1 . 2]" 2
709 1 51 LEU MD2 1 60 PRO HA . . 3.690 3.243 2.905 3.545 . 0 0 "[ . 1 . 2]" 2
710 1 51 LEU MD2 1 60 PRO HB3 . . 5.110 4.777 4.386 5.033 . 0 0 "[ . 1 . 2]" 2
711 1 23 TYR HA 1 24 ILE H . . 3.070 2.406 2.267 2.555 . 0 0 "[ . 1 . 2]" 2
712 1 23 TYR HA 1 23 TYR QD . . 3.930 3.728 3.714 3.738 . 0 0 "[ . 1 . 2]" 2
713 1 23 TYR HA 1 32 HIS HA . . 3.790 2.723 2.487 3.178 . 0 0 "[ . 1 . 2]" 2
714 1 53 GLU HA 1 54 ARG H . . 3.330 2.433 2.388 2.471 . 0 0 "[ . 1 . 2]" 2
715 1 53 GLU HA 1 54 ARG HA . . 4.450 4.298 4.295 4.303 . 0 0 "[ . 1 . 2]" 2
716 1 53 GLU HA 1 53 GLU QG . . 3.220 2.399 2.239 2.859 . 0 0 "[ . 1 . 2]" 2
717 1 53 GLU HA 1 58 LEU MD1 . . 4.360 3.671 3.364 3.886 . 0 0 "[ . 1 . 2]" 2
718 1 43 LEU HA 1 43 LEU MD1 . . 4.010 2.360 2.126 3.562 . 0 0 "[ . 1 . 2]" 2
719 1 43 LEU H 1 43 LEU MD1 . . 4.550 4.326 4.193 4.389 . 0 0 "[ . 1 . 2]" 2
720 1 43 LEU MD1 1 48 ARG QD . . 4.750 4.426 3.960 4.761 0.011 5 0 "[ . 1 . 2]" 2
721 1 22 LYS HA 1 22 LYS HG2 . . 3.740 2.604 2.364 2.855 . 0 0 "[ . 1 . 2]" 2
722 1 22 LYS HA 1 22 LYS HG3 . . 3.740 3.012 2.679 3.447 . 0 0 "[ . 1 . 2]" 2
723 1 50 PHE HA 1 60 PRO HD3 . . 3.890 2.179 1.995 2.359 . 0 0 "[ . 1 . 2]" 2
724 1 50 PHE HA 1 50 PHE HB3 . . 2.910 2.463 2.428 2.525 . 0 0 "[ . 1 . 2]" 2
725 1 50 PHE HA 1 60 PRO HG2 . . 5.020 4.614 4.440 4.757 . 0 0 "[ . 1 . 2]" 2
726 1 50 PHE HA 1 51 LEU HG . . 4.410 4.233 4.133 4.364 . 0 0 "[ . 1 . 2]" 2
727 1 45 LEU MD2 1 50 PHE HA . . 4.320 2.666 2.194 3.361 . 0 0 "[ . 1 . 2]" 2
728 1 45 LEU MD1 1 50 PHE HA . . 4.620 3.635 3.379 4.020 . 0 0 "[ . 1 . 2]" 2
729 1 29 ARG HA 1 30 GLN H . . 2.890 2.447 2.386 2.564 . 0 0 "[ . 1 . 2]" 2
730 1 29 ARG HA 1 29 ARG HG2 . . 3.140 2.317 2.193 2.752 . 0 0 "[ . 1 . 2]" 2
731 1 9 ALA MB 1 29 ARG HA . . 4.430 3.924 3.740 4.082 . 0 0 "[ . 1 . 2]" 2
732 1 18 LEU HA 1 18 LEU HG . . 3.490 2.873 2.295 3.657 0.167 14 0 "[ . 1 . 2]" 2
733 1 18 LEU HA 1 18 LEU MD2 . . 4.410 2.919 1.932 3.933 . 0 0 "[ . 1 . 2]" 2
734 1 15 ILE HA 1 32 HIS HD2 . . 4.880 4.573 4.187 4.881 0.001 10 0 "[ . 1 . 2]" 2
735 1 21 THR MG 1 32 HIS HD2 . . 4.510 3.814 3.113 4.523 0.013 11 0 "[ . 1 . 2]" 2
736 1 32 HIS HA 1 32 HIS HD2 . . 3.960 2.341 2.194 2.539 . 0 0 "[ . 1 . 2]" 2
737 1 15 ILE MG 1 32 HIS HD2 . . 4.390 2.862 2.525 3.246 . 0 0 "[ . 1 . 2]" 2
738 1 15 ILE HG12 1 32 HIS HD2 . . 4.620 3.191 2.644 3.787 . 0 0 "[ . 1 . 2]" 2
739 1 36 PHE QD 1 46 VAL MG1 . . 3.770 3.666 3.542 3.782 0.012 8 0 "[ . 1 . 2]" 2
740 1 46 VAL HA 1 46 VAL MG1 . . 3.290 3.186 3.177 3.195 . 0 0 "[ . 1 . 2]" 2
741 1 36 PHE HB3 1 46 VAL MG1 . . 3.720 3.558 3.385 3.658 . 0 0 "[ . 1 . 2]" 2
742 1 24 ILE MD 1 46 VAL MG1 . . 3.890 3.765 3.684 3.852 . 0 0 "[ . 1 . 2]" 2
743 1 24 ILE MG 1 46 VAL MG1 . . 5.500 5.505 5.445 5.527 0.027 2 0 "[ . 1 . 2]" 2
744 1 36 PHE H 1 46 VAL MG1 . . 5.200 5.154 4.911 5.221 0.021 20 0 "[ . 1 . 2]" 2
745 1 44 SER HG 1 46 VAL MG1 . . 4.760 2.103 1.941 2.558 . 0 0 "[ . 1 . 2]" 2
746 1 33 ASN HA 1 46 VAL MG1 . . 3.660 3.444 2.960 3.681 0.021 9 0 "[ . 1 . 2]" 2
747 1 36 PHE HB2 1 46 VAL MG1 . . 5.000 4.871 4.686 4.990 . 0 0 "[ . 1 . 2]" 2
748 1 56 ASP HA 1 57 ILE HG12 . . 4.130 3.851 3.624 4.050 . 0 0 "[ . 1 . 2]" 2
749 1 25 SER HA 1 30 GLN HA . . 2.870 2.702 2.486 2.890 0.020 2 0 "[ . 1 . 2]" 2
750 1 30 GLN HA 1 30 GLN HG2 . . 3.630 2.622 2.461 2.841 . 0 0 "[ . 1 . 2]" 2
751 1 30 GLN HA 1 30 GLN HG3 . . 3.630 3.243 3.045 3.428 . 0 0 "[ . 1 . 2]" 2
752 1 23 TYR QE 1 25 SER HB2 . . 3.920 3.250 2.090 3.948 0.028 19 0 "[ . 1 . 2]" 2
753 1 23 TYR QE 1 25 SER HB3 . . 3.920 2.702 2.118 3.933 0.013 10 0 "[ . 1 . 2]" 2
754 1 23 TYR QE 1 30 GLN HG2 . . 4.020 3.656 3.163 4.029 0.009 18 0 "[ . 1 . 2]" 2
755 1 52 THR MG 1 58 LEU H . . 5.030 4.893 4.727 5.030 . 0 0 "[ . 1 . 2]" 2
756 1 26 PHE QE 1 52 THR MG . . 3.380 2.266 1.957 2.598 . 0 0 "[ . 1 . 2]" 2
757 1 26 PHE HZ 1 52 THR MG . . 3.500 2.031 1.921 2.187 . 0 0 "[ . 1 . 2]" 2
758 1 50 PHE QE 1 52 THR MG . . 3.430 3.041 2.566 3.274 . 0 0 "[ . 1 . 2]" 2
759 1 52 THR MG 1 57 ILE MD . . 5.170 5.142 5.040 5.191 0.021 13 0 "[ . 1 . 2]" 2
760 1 43 LEU HG 1 45 LEU MD2 . . 4.260 4.051 3.079 4.281 0.021 17 0 "[ . 1 . 2]" 2
761 1 45 LEU HA 1 48 ARG QD . . 3.560 2.599 2.262 2.839 . 0 0 "[ . 1 . 2]" 2
762 1 45 LEU HA 1 48 ARG HG3 . . 4.540 3.027 2.835 3.674 . 0 0 "[ . 1 . 2]" 2
763 1 45 LEU HA 1 45 LEU MD2 . . 2.870 2.118 1.941 2.240 . 0 0 "[ . 1 . 2]" 2
764 1 45 LEU HA 1 45 LEU MD1 . . 4.260 3.853 3.816 3.895 . 0 0 "[ . 1 . 2]" 2
765 1 21 THR HA 1 21 THR MG . . 3.090 2.293 1.949 2.477 . 0 0 "[ . 1 . 2]" 2
766 1 15 ILE MG 1 21 THR MG . . 3.520 3.267 2.398 3.527 0.007 5 0 "[ . 1 . 2]" 2
767 1 12 THR H 1 12 THR MG . . 3.730 2.209 2.147 2.361 . 0 0 "[ . 1 . 2]" 2
768 1 51 LEU HA 1 51 LEU MD1 . . 3.790 3.459 3.370 3.515 . 0 0 "[ . 1 . 2]" 2
769 1 58 LEU HA 1 59 CYS HB3 . . 4.580 4.326 4.282 4.394 . 0 0 "[ . 1 . 2]" 2
770 1 58 LEU HA 1 58 LEU MD2 . . 3.220 2.327 2.143 2.587 . 0 0 "[ . 1 . 2]" 2
771 1 51 LEU MD1 1 58 LEU HA . . 4.920 4.395 4.217 4.606 . 0 0 "[ . 1 . 2]" 2
772 1 33 ASN HD21 1 46 VAL MG2 . . 4.320 2.919 1.900 3.852 . 0 0 "[ . 1 . 2]" 2
773 1 33 ASN HD22 1 46 VAL MG2 . . 4.330 2.942 2.113 3.501 . 0 0 "[ . 1 . 2]" 2
774 1 33 ASN HB3 1 46 VAL MG2 . . 4.420 3.572 2.775 4.291 . 0 0 "[ . 1 . 2]" 2
775 1 13 ASN HA 1 14 PRO QG . . 4.140 4.022 3.958 4.077 . 0 0 "[ . 1 . 2]" 2
776 1 31 TRP HZ2 1 57 ILE MG . . 3.410 2.652 2.526 2.944 . 0 0 "[ . 1 . 2]" 2
777 1 13 ASN HA 1 14 PRO HD3 . . 2.780 2.313 2.275 2.352 . 0 0 "[ . 1 . 2]" 2
778 1 13 ASN HA 1 14 PRO HD2 . . 3.050 2.432 2.330 2.516 . 0 0 "[ . 1 . 2]" 2
779 1 13 ASN HB3 1 14 PRO HD2 . . 3.660 2.363 1.995 3.717 0.057 8 0 "[ . 1 . 2]" 2
780 1 13 ASN HB2 1 14 PRO HD2 . . 3.660 3.338 2.034 3.653 . 0 0 "[ . 1 . 2]" 2
781 1 37 ASN HA 1 45 LEU HB3 . . 4.820 4.630 4.408 4.819 . 0 0 "[ . 1 . 2]" 2
782 1 37 ASN HA 1 45 LEU MD2 . . 5.030 4.259 3.691 4.538 . 0 0 "[ . 1 . 2]" 2
783 1 59 CYS HA 1 60 PRO HD3 . . 2.910 2.082 2.064 2.096 . 0 0 "[ . 1 . 2]" 2
784 1 59 CYS HB2 1 60 PRO HD3 . . 3.460 3.056 3.005 3.123 . 0 0 "[ . 1 . 2]" 2
785 1 50 PHE HB3 1 60 PRO HD3 . . 4.570 4.148 3.928 4.337 . 0 0 "[ . 1 . 2]" 2
786 1 59 CYS HA 1 60 PRO HD2 . . 3.190 2.710 2.674 2.736 . 0 0 "[ . 1 . 2]" 2
787 1 60 PRO HD2 1 61 ASP H . . 3.880 2.983 2.975 3.009 . 0 0 "[ . 1 . 2]" 2
788 1 59 CYS HB2 1 60 PRO HD2 . . 3.230 1.987 1.934 2.062 . 0 0 "[ . 1 . 2]" 2
789 1 37 ASN HA 1 45 LEU HG . . 3.670 2.655 2.020 2.974 . 0 0 "[ . 1 . 2]" 2
790 1 37 ASN HA 1 45 LEU MD1 . . 4.550 3.037 2.722 3.223 . 0 0 "[ . 1 . 2]" 2
791 1 59 CYS HB3 1 60 PRO HD2 . . 3.670 3.588 3.522 3.653 . 0 0 "[ . 1 . 2]" 2
792 1 45 LEU MD2 1 60 PRO HD2 . . 4.310 3.164 3.019 3.479 . 0 0 "[ . 1 . 2]" 2
793 1 57 ILE MG 1 58 LEU H . . 4.030 3.573 3.397 3.682 . 0 0 "[ . 1 . 2]" 2
794 1 57 ILE H 1 57 ILE MG . . 4.040 3.010 2.899 3.130 . 0 0 "[ . 1 . 2]" 2
795 1 26 PHE QD 1 57 ILE MG . . 5.380 4.759 4.562 4.931 . 0 0 "[ . 1 . 2]" 2
796 1 31 TRP HE3 1 57 ILE MG . . 5.500 4.797 4.661 4.982 . 0 0 "[ . 1 . 2]" 2
797 1 50 PHE QD 1 57 ILE MG . . 3.670 2.953 2.481 3.232 . 0 0 "[ . 1 . 2]" 2
798 1 50 PHE QE 1 57 ILE MG . . 4.050 3.460 2.312 3.862 . 0 0 "[ . 1 . 2]" 2
799 1 57 ILE HA 1 57 ILE MG . . 3.180 2.170 2.078 2.269 . 0 0 "[ . 1 . 2]" 2
800 1 50 PHE HB2 1 57 ILE MG . . 4.490 4.195 3.816 4.296 . 0 0 "[ . 1 . 2]" 2
801 1 52 THR MG 1 57 ILE MG . . 3.190 2.937 2.749 3.039 . 0 0 "[ . 1 . 2]" 2
802 1 57 ILE HG12 1 57 ILE MG . . 3.220 2.196 2.117 2.297 . 0 0 "[ . 1 . 2]" 2
803 1 57 ILE MD 1 57 ILE MG . . 3.150 2.216 1.999 2.366 . 0 0 "[ . 1 . 2]" 2
804 1 68 GLY HA2 1 69 PRO QD . . 3.060 2.502 1.883 3.144 0.084 4 0 "[ . 1 . 2]" 2
805 1 68 GLY HA3 1 69 PRO QD . . 3.060 2.256 1.853 3.021 . 0 0 "[ . 1 . 2]" 2
806 1 9 ALA H 1 9 ALA MB . . 3.160 2.176 2.028 2.254 . 0 0 "[ . 1 . 2]" 2
807 1 9 ALA MB 1 30 GLN H . . 4.000 2.833 2.486 3.056 . 0 0 "[ . 1 . 2]" 2
808 1 9 ALA MB 1 31 TRP HZ2 . . 4.010 3.006 2.730 3.359 . 0 0 "[ . 1 . 2]" 2
809 1 9 ALA MB 1 29 ARG HD3 . . 4.150 2.751 2.306 3.713 . 0 0 "[ . 1 . 2]" 2
810 1 9 ALA MB 1 30 GLN HB2 . . 5.500 4.693 4.326 5.052 . 0 0 "[ . 1 . 2]" 2
811 1 9 ALA MB 1 29 ARG HG2 . . 3.960 3.519 2.987 3.881 . 0 0 "[ . 1 . 2]" 2
812 1 9 ALA MB 1 29 ARG HB3 . . 3.690 3.010 2.517 3.315 . 0 0 "[ . 1 . 2]" 2
813 1 15 ILE MG 1 23 TYR QD . . 3.730 2.587 2.274 2.958 . 0 0 "[ . 1 . 2]" 2
814 1 15 ILE MG 1 23 TYR QE . . 3.840 3.347 2.961 3.807 . 0 0 "[ . 1 . 2]" 2
815 1 15 ILE MG 1 16 SER HA . . 4.240 3.713 3.168 4.105 . 0 0 "[ . 1 . 2]" 2
816 1 15 ILE MG 1 23 TYR HB2 . . 4.050 2.531 2.216 2.984 . 0 0 "[ . 1 . 2]" 2
817 1 15 ILE MG 1 23 TYR HB3 . . 3.740 2.543 2.279 2.806 . 0 0 "[ . 1 . 2]" 2
818 1 24 ILE MG 1 31 TRP HE3 . . 4.020 2.352 1.973 2.719 . 0 0 "[ . 1 . 2]" 2
819 1 24 ILE MG 1 36 PHE QD . . 4.490 2.974 2.821 3.143 . 0 0 "[ . 1 . 2]" 2
820 1 24 ILE MG 1 36 PHE QE . . 3.900 2.773 2.657 2.935 . 0 0 "[ . 1 . 2]" 2
821 1 24 ILE HG12 1 24 ILE MG . . 3.680 2.988 2.162 3.202 . 0 0 "[ . 1 . 2]" 2
822 1 24 ILE HG13 1 24 ILE MG . . 3.680 2.430 2.335 2.536 . 0 0 "[ . 1 . 2]" 2
823 1 24 ILE MD 1 24 ILE MG . . 3.290 2.220 1.887 3.248 . 0 0 "[ . 1 . 2]" 2
824 1 58 LEU HB3 1 62 CYS HB2 . . 3.680 2.475 2.302 2.605 . 0 0 "[ . 1 . 2]" 2
825 1 58 LEU HB3 1 58 LEU MD1 . . 3.450 2.586 2.522 2.677 . 0 0 "[ . 1 . 2]" 2
826 1 58 LEU HB2 1 58 LEU MD1 . . 3.300 2.094 1.995 2.229 . 0 0 "[ . 1 . 2]" 2
827 1 45 LEU HB3 1 50 PHE HB3 . . 4.300 2.076 1.987 2.160 . 0 0 "[ . 1 . 2]" 2
828 1 45 LEU HB2 1 48 ARG QD . . 5.500 5.308 4.346 5.508 0.008 15 0 "[ . 1 . 2]" 2
829 1 44 SER HA 1 45 LEU HB2 . . 5.260 4.472 4.380 4.710 . 0 0 "[ . 1 . 2]" 2
830 1 37 ASN HA 1 45 LEU HB2 . . 4.990 3.084 2.817 3.371 . 0 0 "[ . 1 . 2]" 2
831 1 45 LEU HB2 1 50 PHE QD . . 4.990 4.590 4.273 4.782 . 0 0 "[ . 1 . 2]" 2
832 1 38 CYS H 1 45 LEU HB2 . . 5.450 4.244 3.983 4.499 . 0 0 "[ . 1 . 2]" 2
833 1 45 LEU HA 1 50 PHE HB3 . . 4.800 3.836 3.671 4.105 . 0 0 "[ . 1 . 2]" 2
834 1 44 SER HA 1 45 LEU HA . . 4.430 4.398 4.390 4.414 . 0 0 "[ . 1 . 2]" 2
835 1 36 PHE QD 1 45 LEU HA . . 5.500 4.672 4.544 4.788 . 0 0 "[ . 1 . 2]" 2
836 1 38 CYS HB3 1 45 LEU HG . . 4.800 4.579 4.400 4.796 . 0 0 "[ . 1 . 2]" 2
837 1 36 PHE QD 1 45 LEU MD1 . . 4.580 3.883 3.719 4.047 . 0 0 "[ . 1 . 2]" 2
838 1 45 LEU MD1 1 57 ILE H . . 5.500 5.249 4.985 5.508 0.008 16 0 "[ . 1 . 2]" 2
839 1 45 LEU MD1 1 51 LEU H . . 4.650 3.852 3.563 4.333 . 0 0 "[ . 1 . 2]" 2
840 1 45 LEU MD2 1 48 ARG HB3 . . 4.330 3.855 3.628 4.263 . 0 0 "[ . 1 . 2]" 2
841 1 45 LEU MD2 1 48 ARG HB2 . . 4.330 2.986 2.668 4.356 0.026 16 0 "[ . 1 . 2]" 2
842 1 45 LEU MD2 1 50 PHE HB3 . . 3.280 2.208 1.935 2.930 . 0 0 "[ . 1 . 2]" 2
843 1 45 LEU MD2 1 48 ARG QD . . 3.580 3.069 1.643 3.297 . 0 0 "[ . 1 . 2]" 2
844 1 45 LEU MD2 1 60 PRO HD3 . . 3.780 3.029 2.825 3.466 . 0 0 "[ . 1 . 2]" 2
845 1 45 LEU MD2 1 59 CYS HA . . 3.130 2.057 1.928 2.490 . 0 0 "[ . 1 . 2]" 2
846 1 45 LEU MD2 1 58 LEU HA . . 4.660 4.134 3.928 4.545 . 0 0 "[ . 1 . 2]" 2
847 1 45 LEU MD2 1 46 VAL H . . 5.350 4.739 4.607 4.802 . 0 0 "[ . 1 . 2]" 2
848 1 45 LEU H 1 45 LEU MD2 . . 4.630 3.859 3.457 4.039 . 0 0 "[ . 1 . 2]" 2
849 1 45 LEU MD2 1 51 LEU H . . 5.500 3.778 3.282 4.459 . 0 0 "[ . 1 . 2]" 2
850 1 24 ILE MG 1 46 VAL HA . . 5.160 3.744 3.647 4.008 . 0 0 "[ . 1 . 2]" 2
851 1 46 VAL HA 1 47 GLY HA2 . . 4.910 4.373 4.343 4.382 . 0 0 "[ . 1 . 2]" 2
852 1 46 VAL HA 1 47 GLY HA3 . . 4.910 4.383 4.373 4.400 . 0 0 "[ . 1 . 2]" 2
853 1 33 ASN HD22 1 46 VAL MG1 . . 5.500 4.911 3.903 5.433 . 0 0 "[ . 1 . 2]" 2
854 1 24 ILE MG 1 46 VAL MG2 . . 5.420 4.281 4.054 4.431 . 0 0 "[ . 1 . 2]" 2
855 1 36 PHE HB2 1 46 VAL MG2 . . 5.500 4.851 4.607 5.027 . 0 0 "[ . 1 . 2]" 2
856 1 36 PHE HB3 1 46 VAL MG2 . . 5.500 4.215 4.045 4.337 . 0 0 "[ . 1 . 2]" 2
857 1 36 PHE QD 1 46 VAL MG2 . . 5.190 3.762 3.598 3.899 . 0 0 "[ . 1 . 2]" 2
858 1 49 GLY HA2 1 50 PHE HB3 . . 5.500 5.128 4.935 5.216 . 0 0 "[ . 1 . 2]" 2
859 1 62 CYS HB3 1 63 GLY HA2 . . 5.500 4.239 4.123 4.379 . 0 0 "[ . 1 . 2]" 2
860 1 49 GLY HA2 1 50 PHE QD . . 4.390 4.039 3.808 4.191 . 0 0 "[ . 1 . 2]" 2
861 1 49 GLY HA3 1 50 PHE QD . . 5.340 5.280 5.146 5.352 0.012 15 0 "[ . 1 . 2]" 2
862 1 50 PHE HA 1 60 PRO HD2 . . 4.490 3.772 3.630 3.973 . 0 0 "[ . 1 . 2]" 2
863 1 50 PHE HA 1 51 LEU MD1 . . 4.870 2.816 2.500 3.020 . 0 0 "[ . 1 . 2]" 2
864 1 50 PHE HB3 1 57 ILE MG . . 5.500 5.433 5.133 5.511 0.011 15 0 "[ . 1 . 2]" 2
865 1 50 PHE HB2 1 60 PRO HD3 . . 5.500 4.466 4.244 4.650 . 0 0 "[ . 1 . 2]" 2
866 1 50 PHE HB3 1 58 LEU H . . 5.500 5.448 5.311 5.524 0.024 20 0 "[ . 1 . 2]" 2
867 1 45 LEU HB2 1 50 PHE HB2 . . 4.660 4.513 4.269 4.619 . 0 0 "[ . 1 . 2]" 2
868 1 45 LEU HG 1 50 PHE HB2 . . 5.190 4.746 4.517 5.112 . 0 0 "[ . 1 . 2]" 2
869 1 45 LEU HG 1 50 PHE HB3 . . 4.630 4.240 4.046 4.517 . 0 0 "[ . 1 . 2]" 2
870 1 50 PHE HB2 1 51 LEU MD1 . . 4.610 4.179 3.920 4.454 . 0 0 "[ . 1 . 2]" 2
871 1 50 PHE HB3 1 51 LEU MD1 . . 5.070 4.852 4.585 5.055 . 0 0 "[ . 1 . 2]" 2
872 1 45 LEU HB3 1 50 PHE QD . . 4.540 3.202 2.963 3.491 . 0 0 "[ . 1 . 2]" 2
873 1 45 LEU MD2 1 50 PHE QD . . 5.150 3.828 3.494 4.517 . 0 0 "[ . 1 . 2]" 2
874 1 50 PHE QD 1 51 LEU MD1 . . 5.130 4.953 4.740 5.145 0.015 20 0 "[ . 1 . 2]" 2
875 1 50 PHE QD 1 57 ILE HA . . 5.000 4.735 4.049 4.991 . 0 0 "[ . 1 . 2]" 2
876 1 50 PHE QD 1 51 LEU HA . . 4.570 4.089 3.939 4.221 . 0 0 "[ . 1 . 2]" 2
877 1 49 GLY H 1 50 PHE QD . . 5.400 4.936 4.790 5.142 . 0 0 "[ . 1 . 2]" 2
878 1 50 PHE QD 1 52 THR H . . 5.500 5.179 5.058 5.269 . 0 0 "[ . 1 . 2]" 2
879 1 50 PHE QD 1 58 LEU H . . 4.640 4.170 3.408 4.461 . 0 0 "[ . 1 . 2]" 2
880 1 23 TYR QD 1 24 ILE HA . . 4.680 4.367 3.776 4.567 . 0 0 "[ . 1 . 2]" 2
881 1 22 LYS H 1 23 TYR QD . . 4.980 4.215 3.144 4.534 . 0 0 "[ . 1 . 2]" 2
882 1 23 TYR QD 1 32 HIS HD2 . . 5.480 4.237 4.003 4.597 . 0 0 "[ . 1 . 2]" 2
883 1 31 TRP HZ2 1 57 ILE HG12 . . 4.190 3.573 3.424 3.656 . 0 0 "[ . 1 . 2]" 2
884 1 31 TRP HZ2 1 57 ILE HG13 . . 5.310 5.270 4.990 5.325 0.015 18 0 "[ . 1 . 2]" 2
885 1 29 ARG HB2 1 31 TRP HZ2 . . 5.280 3.998 3.720 4.271 . 0 0 "[ . 1 . 2]" 2
886 1 31 TRP HZ2 1 36 PHE QE . . 5.240 4.652 4.443 4.923 . 0 0 "[ . 1 . 2]" 2
887 1 31 TRP HD1 1 57 ILE MD . . 5.150 4.116 3.818 4.420 . 0 0 "[ . 1 . 2]" 2
888 1 31 TRP HD1 1 36 PHE QD . . 4.720 3.766 3.556 4.002 . 0 0 "[ . 1 . 2]" 2
889 1 31 TRP HA 1 31 TRP HD1 . . 4.640 3.186 3.097 3.379 . 0 0 "[ . 1 . 2]" 2
890 1 31 TRP HD1 1 36 PHE H . . 4.900 4.668 4.343 4.904 0.004 17 0 "[ . 1 . 2]" 2
891 1 10 GLY H 1 31 TRP HD1 . . 4.230 2.719 2.047 3.946 . 0 0 "[ . 1 . 2]" 2
892 1 31 TRP HD1 1 32 HIS H . . 5.500 3.872 3.726 4.030 . 0 0 "[ . 1 . 2]" 2
893 1 31 TRP HH2 1 57 ILE MG . . 4.310 2.657 2.484 2.889 . 0 0 "[ . 1 . 2]" 2
894 1 31 TRP HH2 1 36 PHE QE . . 4.970 4.108 3.895 4.542 . 0 0 "[ . 1 . 2]" 2
895 1 15 ILE MD 1 23 TYR QE . . 4.610 3.108 2.632 3.505 . 0 0 "[ . 1 . 2]" 2
896 1 15 ILE HB 1 23 TYR QE . . 5.320 4.382 3.870 4.905 . 0 0 "[ . 1 . 2]" 2
897 1 21 THR MG 1 23 TYR QE . . 5.500 4.841 4.391 5.164 . 0 0 "[ . 1 . 2]" 2
898 1 23 TYR QE 1 30 GLN HB2 . . 4.590 4.399 4.022 4.594 0.004 2 0 "[ . 1 . 2]" 2
899 1 23 TYR QE 1 30 GLN HB3 . . 4.470 3.117 2.663 3.516 . 0 0 "[ . 1 . 2]" 2
900 1 21 THR HB 1 23 TYR QE . . 4.450 3.743 3.155 4.401 . 0 0 "[ . 1 . 2]" 2
901 1 21 THR H 1 23 TYR QE . . 5.500 3.847 3.117 4.778 . 0 0 "[ . 1 . 2]" 2
902 1 50 PHE HB2 1 51 LEU HB2 . . 5.410 5.092 4.891 5.213 . 0 0 "[ . 1 . 2]" 2
903 1 51 LEU HB2 1 63 GLY HA2 . . 5.000 4.833 4.585 4.988 . 0 0 "[ . 1 . 2]" 2
904 1 51 LEU HB3 1 63 GLY HA3 . . 5.500 4.498 4.290 4.626 . 0 0 "[ . 1 . 2]" 2
905 1 51 LEU HB3 1 63 GLY HA2 . . 5.500 5.499 5.339 5.535 0.035 18 0 "[ . 1 . 2]" 2
906 1 51 LEU HB3 1 58 LEU H . . 5.100 4.718 4.513 4.950 . 0 0 "[ . 1 . 2]" 2
907 1 51 LEU HG 1 52 THR H . . 4.960 4.284 4.163 4.343 . 0 0 "[ . 1 . 2]" 2
908 1 52 THR HA 1 57 ILE MD . . 5.500 5.522 5.504 5.532 0.032 5 0 "[ . 1 . 2]" 2
909 1 51 LEU HB3 1 52 THR HA . . 4.800 4.519 4.413 4.589 . 0 0 "[ . 1 . 2]" 2
910 1 52 THR HA 1 53 GLU HB3 . . 5.140 5.011 4.871 5.062 . 0 0 "[ . 1 . 2]" 2
911 1 50 PHE QD 1 52 THR HA . . 5.500 4.297 4.075 4.446 . 0 0 "[ . 1 . 2]" 2
912 1 52 THR HA 1 56 ASP H . . 5.500 5.348 5.263 5.427 . 0 0 "[ . 1 . 2]" 2
913 1 52 THR HB 1 57 ILE MG . . 4.890 4.195 4.033 4.302 . 0 0 "[ . 1 . 2]" 2
914 1 21 THR MG 1 23 TYR HB2 . . 4.720 4.064 3.548 4.842 0.122 10 0 "[ . 1 . 2]" 2
915 1 44 SER HA 1 46 VAL HB . . 5.500 5.507 5.378 5.540 0.040 2 0 "[ . 1 . 2]" 2
916 1 52 THR HA 1 53 GLU HB2 . . 5.140 4.393 4.316 4.491 . 0 0 "[ . 1 . 2]" 2
917 1 53 GLU QG 1 54 ARG H . . 4.900 1.888 1.855 1.988 . 0 0 "[ . 1 . 2]" 2
918 1 54 ARG HA 1 54 ARG HG3 . . 3.710 3.079 2.268 3.714 0.004 18 0 "[ . 1 . 2]" 2
919 1 54 ARG HA 1 54 ARG HD3 . . 4.700 4.122 2.143 4.695 . 0 0 "[ . 1 . 2]" 2
920 1 54 ARG HA 1 56 ASP H . . 4.520 4.536 4.503 4.572 0.052 16 0 "[ . 1 . 2]" 2
921 1 54 ARG HB2 1 55 ASP HB3 . . 5.500 4.789 3.956 5.478 . 0 0 "[ . 1 . 2]" 2
922 1 54 ARG HB2 1 55 ASP HB2 . . 5.500 4.034 3.587 5.420 . 0 0 "[ . 1 . 2]" 2
923 1 54 ARG HB2 1 56 ASP HB2 . . 5.500 5.177 5.091 5.260 . 0 0 "[ . 1 . 2]" 2
924 1 56 ASP HA 1 57 ILE MG . . 4.910 3.749 3.613 3.945 . 0 0 "[ . 1 . 2]" 2
925 1 53 GLU H 1 56 ASP HB3 . . 5.340 5.194 5.116 5.250 . 0 0 "[ . 1 . 2]" 2
926 1 39 LYS H 1 56 ASP HB3 . . 5.320 5.215 5.128 5.317 . 0 0 "[ . 1 . 2]" 2
927 1 53 GLU H 1 56 ASP HB2 . . 4.960 4.836 4.740 4.912 . 0 0 "[ . 1 . 2]" 2
928 1 50 PHE HB2 1 57 ILE HB . . 4.600 3.496 3.318 3.618 . 0 0 "[ . 1 . 2]" 2
929 1 38 CYS HA 1 57 ILE HB . . 5.490 4.390 4.185 4.536 . 0 0 "[ . 1 . 2]" 2
930 1 31 TRP HZ2 1 57 ILE HB . . 5.500 5.480 5.366 5.522 0.022 19 0 "[ . 1 . 2]" 2
931 1 38 CYS HA 1 57 ILE HG12 . . 5.500 5.093 4.891 5.354 . 0 0 "[ . 1 . 2]" 2
932 1 56 ASP HA 1 57 ILE HG13 . . 4.980 4.919 4.849 4.978 . 0 0 "[ . 1 . 2]" 2
933 1 36 PHE QE 1 57 ILE HG13 . . 5.500 5.105 4.904 5.388 . 0 0 "[ . 1 . 2]" 2
934 1 39 LYS H 1 57 ILE HG12 . . 5.500 5.447 5.358 5.508 0.008 17 0 "[ . 1 . 2]" 2
935 1 39 LYS H 1 57 ILE HG13 . . 4.990 3.865 3.755 3.963 . 0 0 "[ . 1 . 2]" 2
936 1 57 ILE HG13 1 58 LEU H . . 4.930 3.983 3.868 4.123 . 0 0 "[ . 1 . 2]" 2
937 1 57 ILE HG12 1 58 LEU H . . 5.300 4.902 4.842 4.960 . 0 0 "[ . 1 . 2]" 2
938 1 38 CYS HA 1 57 ILE MG . . 5.500 5.524 5.436 5.572 0.072 2 0 "[ . 1 . 2]" 2
939 1 36 PHE QD 1 57 ILE MG . . 4.830 4.595 4.478 4.764 . 0 0 "[ . 1 . 2]" 2
940 1 51 LEU H 1 57 ILE MG . . 5.170 5.012 4.734 5.191 0.021 9 0 "[ . 1 . 2]" 2
941 1 53 GLU H 1 57 ILE MG . . 5.380 3.303 3.154 3.476 . 0 0 "[ . 1 . 2]" 2
942 1 36 PHE HB2 1 57 ILE MD . . 5.500 4.960 4.799 5.227 . 0 0 "[ . 1 . 2]" 2
943 1 39 LYS HB2 1 57 ILE MD . . 5.500 4.492 4.334 4.658 . 0 0 "[ . 1 . 2]" 2
944 1 31 TRP HB2 1 57 ILE MD . . 5.500 4.519 4.395 4.700 . 0 0 "[ . 1 . 2]" 2
945 1 50 PHE HB2 1 57 ILE MD . . 5.500 3.991 3.600 4.392 . 0 0 "[ . 1 . 2]" 2
946 1 50 PHE QD 1 57 ILE MD . . 4.410 3.935 3.580 4.179 . 0 0 "[ . 1 . 2]" 2
947 1 31 TRP HH2 1 57 ILE MD . . 4.330 4.155 3.629 4.341 0.011 9 0 "[ . 1 . 2]" 2
948 1 57 ILE H 1 57 ILE MD . . 4.730 3.759 3.641 3.840 . 0 0 "[ . 1 . 2]" 2
949 1 57 ILE MD 1 58 LEU H . . 5.160 4.295 4.118 4.452 . 0 0 "[ . 1 . 2]" 2
950 1 38 CYS HB2 1 58 LEU HA . . 4.140 3.900 3.806 4.079 . 0 0 "[ . 1 . 2]" 2
951 1 57 ILE HA 1 58 LEU HA . . 4.810 4.500 4.477 4.519 . 0 0 "[ . 1 . 2]" 2
952 1 58 LEU HA 1 63 GLY H . . 5.450 5.326 5.181 5.543 0.093 20 0 "[ . 1 . 2]" 2
953 1 39 LYS H 1 58 LEU HB3 . . 4.990 4.153 4.007 4.288 . 0 0 "[ . 1 . 2]" 2
954 1 51 LEU H 1 58 LEU HB3 . . 5.320 5.108 4.870 5.201 . 0 0 "[ . 1 . 2]" 2
955 1 58 LEU HB2 1 62 CYS HB2 . . 4.160 3.935 3.782 4.091 . 0 0 "[ . 1 . 2]" 2
956 1 51 LEU H 1 58 LEU HB2 . . 4.790 4.063 3.914 4.152 . 0 0 "[ . 1 . 2]" 2
957 1 56 ASP HB3 1 58 LEU HG . . 4.620 4.246 4.142 4.345 . 0 0 "[ . 1 . 2]" 2
958 1 56 ASP HB2 1 58 LEU HG . . 4.820 4.393 4.227 4.536 . 0 0 "[ . 1 . 2]" 2
959 1 57 ILE H 1 58 LEU HG . . 5.160 4.202 4.120 4.285 . 0 0 "[ . 1 . 2]" 2
960 1 53 GLU H 1 58 LEU HG . . 5.080 3.996 3.797 4.128 . 0 0 "[ . 1 . 2]" 2
961 1 58 LEU HG 1 59 CYS H . . 5.370 4.770 4.725 4.838 . 0 0 "[ . 1 . 2]" 2
962 1 58 LEU MD2 1 63 GLY HA3 . . 5.500 5.524 5.447 5.579 0.079 19 0 "[ . 1 . 2]" 2
963 1 57 ILE HA 1 58 LEU MD2 . . 4.920 4.720 4.617 4.805 . 0 0 "[ . 1 . 2]" 2
964 1 53 GLU H 1 58 LEU MD2 . . 5.500 5.346 5.169 5.477 . 0 0 "[ . 1 . 2]" 2
965 1 41 CYS H 1 58 LEU MD2 . . 4.750 4.111 3.919 4.361 . 0 0 "[ . 1 . 2]" 2
966 1 52 THR HA 1 58 LEU MD1 . . 5.500 5.407 5.274 5.522 0.022 17 0 "[ . 1 . 2]" 2
967 1 58 LEU MD1 1 63 GLY H . . 4.650 4.039 3.845 4.449 . 0 0 "[ . 1 . 2]" 2
968 1 58 LEU H 1 58 LEU MD1 . . 4.420 4.022 3.828 4.173 . 0 0 "[ . 1 . 2]" 2
969 1 39 LYS H 1 58 LEU MD1 . . 5.360 4.913 4.755 5.100 . 0 0 "[ . 1 . 2]" 2
970 1 58 LEU MD1 1 59 CYS H . . 5.500 4.515 4.369 4.704 . 0 0 "[ . 1 . 2]" 2
971 1 58 LEU MD1 1 62 CYS HB3 . . 3.890 3.701 3.172 3.895 0.005 13 0 "[ . 1 . 2]" 2
972 1 43 LEU HB2 1 59 CYS HB3 . . 5.200 5.144 4.802 5.234 0.034 5 0 "[ . 1 . 2]" 2
973 1 59 CYS HB3 1 61 ASP H . . 4.560 4.462 4.306 4.582 0.022 14 0 "[ . 1 . 2]" 2
974 1 59 CYS HB3 1 62 CYS H . . 4.700 4.568 4.448 4.626 . 0 0 "[ . 1 . 2]" 2
975 1 45 LEU MD1 1 59 CYS HB2 . . 4.930 4.484 4.089 4.772 . 0 0 "[ . 1 . 2]" 2
976 1 43 LEU HB3 1 59 CYS HB2 . . 4.430 4.235 3.975 4.357 . 0 0 "[ . 1 . 2]" 2
977 1 59 CYS HB2 1 60 PRO HG2 . . 5.270 4.234 4.182 4.308 . 0 0 "[ . 1 . 2]" 2
978 1 59 CYS HB2 1 60 PRO HB2 . . 4.590 4.547 4.485 4.603 0.013 20 0 "[ . 1 . 2]" 2
979 1 59 CYS HA 1 60 PRO HA . . 4.590 4.373 4.372 4.374 . 0 0 "[ . 1 . 2]" 2
980 1 51 LEU MD1 1 60 PRO HG3 . . 4.770 3.110 2.792 3.493 . 0 0 "[ . 1 . 2]" 2
981 1 59 CYS HB2 1 60 PRO HG3 . . 5.270 4.825 4.774 4.897 . 0 0 "[ . 1 . 2]" 2
982 1 60 PRO HG3 1 61 ASP H . . 5.380 4.618 4.573 4.682 . 0 0 "[ . 1 . 2]" 2
983 1 60 PRO HG2 1 61 ASP H . . 5.380 4.063 3.968 4.200 . 0 0 "[ . 1 . 2]" 2
984 1 45 LEU MD1 1 60 PRO HD3 . . 5.190 4.724 4.486 5.004 . 0 0 "[ . 1 . 2]" 2
985 1 51 LEU MD1 1 60 PRO HD3 . . 4.380 2.648 2.486 2.952 . 0 0 "[ . 1 . 2]" 2
986 1 60 PRO HD3 1 61 ASP H . . 4.450 4.142 4.106 4.173 . 0 0 "[ . 1 . 2]" 2
987 1 51 LEU H 1 60 PRO HD3 . . 5.090 3.743 3.564 4.017 . 0 0 "[ . 1 . 2]" 2
988 1 59 CYS H 1 60 PRO HD3 . . 5.500 4.865 4.854 4.875 . 0 0 "[ . 1 . 2]" 2
989 1 60 PRO HA 1 61 ASP HA . . 5.320 4.790 4.744 4.824 . 0 0 "[ . 1 . 2]" 2
990 1 61 ASP HA 1 62 CYS HA . . 5.500 4.672 4.641 4.732 . 0 0 "[ . 1 . 2]" 2
991 1 61 ASP HA 1 63 GLY H . . 5.270 5.085 4.618 5.304 0.034 5 0 "[ . 1 . 2]" 2
992 1 62 CYS HA 1 64 LYS H . . 4.920 4.435 4.120 4.763 . 0 0 "[ . 1 . 2]" 2
993 1 58 LEU HB3 1 63 GLY HA2 . . 4.300 4.210 4.032 4.319 0.019 12 0 "[ . 1 . 2]" 2
994 1 51 LEU MD1 1 64 LYS QB . . 5.500 4.821 4.325 5.125 . 0 0 "[ . 1 . 2]" 2
995 1 51 LEU MD2 1 64 LYS QB . . 5.500 4.758 4.049 5.202 . 0 0 "[ . 1 . 2]" 2
996 1 64 LYS QG 1 65 ASP H . . 4.580 2.636 1.944 4.305 . 0 0 "[ . 1 . 2]" 2
997 1 65 ASP HB2 1 66 ILE H . . 4.850 3.667 2.474 4.636 . 0 0 "[ . 1 . 2]" 2
998 1 66 ILE MG 1 67 SER H . . 4.950 2.825 2.108 3.619 . 0 0 "[ . 1 . 2]" 2
999 1 63 GLY HA3 1 66 ILE MD . . 4.770 3.383 2.277 4.791 0.021 5 0 "[ . 1 . 2]" 2
1000 1 66 ILE H 1 66 ILE MD . . 5.350 3.471 3.032 4.116 . 0 0 "[ . 1 . 2]" 2
1001 1 65 ASP H 1 66 ILE MD . . 5.290 4.875 3.863 5.310 0.020 12 0 "[ . 1 . 2]" 2
1002 1 44 SER HB3 1 46 VAL H . . 5.270 5.069 4.773 5.277 0.007 7 0 "[ . 1 . 2]" 2
1003 1 38 CYS HB3 1 43 LEU HA . . 5.500 4.777 4.674 4.817 . 0 0 "[ . 1 . 2]" 2
1004 1 41 CYS HB2 1 43 LEU HA . . 5.500 5.219 4.877 5.431 . 0 0 "[ . 1 . 2]" 2
1005 1 38 CYS H 1 43 LEU HB3 . . 4.730 3.785 3.637 3.942 . 0 0 "[ . 1 . 2]" 2
1006 1 43 LEU HB3 1 59 CYS HB3 . . 3.980 3.460 3.153 3.550 . 0 0 "[ . 1 . 2]" 2
1007 1 38 CYS HB2 1 43 LEU HB2 . . 4.660 4.418 4.159 4.516 . 0 0 "[ . 1 . 2]" 2
1008 1 43 LEU HG 1 48 ARG QD . . 4.520 3.849 3.663 4.303 . 0 0 "[ . 1 . 2]" 2
1009 1 40 LYS QG 1 41 CYS HA . . 4.950 4.436 4.135 4.659 . 0 0 "[ . 1 . 2]" 2
1010 1 40 LYS HB3 1 41 CYS HA . . 5.060 4.264 4.143 4.375 . 0 0 "[ . 1 . 2]" 2
1011 1 41 CYS HA 1 42 SER HA . . 5.500 5.190 5.136 5.230 . 0 0 "[ . 1 . 2]" 2
1012 1 40 LYS HA 1 41 CYS HA . . 5.080 4.560 4.542 4.590 . 0 0 "[ . 1 . 2]" 2
1013 1 40 LYS H 1 41 CYS HA . . 5.110 4.830 4.675 5.009 . 0 0 "[ . 1 . 2]" 2
1014 1 40 LYS QG 1 41 CYS HB3 . . 5.100 4.341 4.089 4.511 . 0 0 "[ . 1 . 2]" 2
1015 1 40 LYS HB3 1 41 CYS HB3 . . 5.160 3.560 3.498 3.629 . 0 0 "[ . 1 . 2]" 2
1016 1 41 CYS HB3 1 42 SER H . . 4.770 4.260 4.154 4.377 . 0 0 "[ . 1 . 2]" 2
1017 1 40 LYS H 1 41 CYS HB3 . . 5.170 5.026 4.892 5.199 0.029 11 0 "[ . 1 . 2]" 2
1018 1 41 CYS HB2 1 43 LEU HB3 . . 4.830 4.594 4.406 4.761 . 0 0 "[ . 1 . 2]" 2
1019 1 41 CYS HB2 1 42 SER H . . 4.640 4.266 4.131 4.386 . 0 0 "[ . 1 . 2]" 2
1020 1 40 LYS HA 1 58 LEU MD2 . . 4.910 3.902 3.674 4.133 . 0 0 "[ . 1 . 2]" 2
1021 1 40 LYS HA 1 40 LYS QE . . 4.850 4.113 3.457 4.678 . 0 0 "[ . 1 . 2]" 2
1022 1 39 LYS HA 1 41 CYS H . . 5.270 4.951 4.721 5.262 . 0 0 "[ . 1 . 2]" 2
1023 1 39 LYS HB2 1 56 ASP HB2 . . 4.550 4.340 4.147 4.509 . 0 0 "[ . 1 . 2]" 2
1024 1 39 LYS HB2 1 39 LYS QE . . 4.410 3.578 1.978 4.446 0.036 18 0 "[ . 1 . 2]" 2
1025 1 39 LYS HB2 1 56 ASP HA . . 5.000 4.780 4.584 4.952 . 0 0 "[ . 1 . 2]" 2
1026 1 39 LYS HB2 1 58 LEU HA . . 5.320 4.134 4.051 4.291 . 0 0 "[ . 1 . 2]" 2
1027 1 39 LYS HB3 1 56 ASP HB2 . . 4.320 4.186 4.026 4.325 0.005 18 0 "[ . 1 . 2]" 2
1028 1 39 LYS HB3 1 39 LYS QE . . 4.400 3.863 3.293 4.390 . 0 0 "[ . 1 . 2]" 2
1029 1 39 LYS HB3 1 58 LEU MD1 . . 4.620 4.371 4.140 4.623 0.003 6 0 "[ . 1 . 2]" 2
1030 1 39 LYS HB3 1 58 LEU HA . . 4.970 4.309 4.046 4.504 . 0 0 "[ . 1 . 2]" 2
1031 1 39 LYS HG2 1 40 LYS H . . 5.500 5.258 4.906 5.529 0.029 14 0 "[ . 1 . 2]" 2
1032 1 39 LYS HG3 1 40 LYS H . . 5.500 5.087 4.619 5.641 0.141 13 0 "[ . 1 . 2]" 2
1033 1 39 LYS H 1 39 LYS HG3 . . 5.050 4.628 4.504 4.798 . 0 0 "[ . 1 . 2]" 2
1034 1 39 LYS H 1 39 LYS HG2 . . 5.050 4.643 4.429 4.816 . 0 0 "[ . 1 . 2]" 2
1035 1 39 LYS HG3 1 57 ILE H . . 5.300 4.518 3.430 5.315 0.015 1 0 "[ . 1 . 2]" 2
1036 1 39 LYS HA 1 39 LYS QE . . 4.620 3.602 1.958 4.559 . 0 0 "[ . 1 . 2]" 2
1037 1 38 CYS HA 1 45 LEU HG . . 4.520 3.537 3.396 3.903 . 0 0 "[ . 1 . 2]" 2
1038 1 38 CYS HA 1 58 LEU HB3 . . 5.150 4.938 4.791 5.159 0.009 20 0 "[ . 1 . 2]" 2
1039 1 38 CYS HA 1 39 LYS HB3 . . 5.350 5.007 4.896 5.109 . 0 0 "[ . 1 . 2]" 2
1040 1 37 ASN HA 1 38 CYS HA . . 4.950 4.298 4.295 4.302 . 0 0 "[ . 1 . 2]" 2
1041 1 38 CYS HA 1 43 LEU H . . 5.150 4.249 4.130 4.413 . 0 0 "[ . 1 . 2]" 2
1042 1 38 CYS HB2 1 42 SER HA . . 4.660 3.990 3.758 4.151 . 0 0 "[ . 1 . 2]" 2
1043 1 38 CYS HB3 1 39 LYS H . . 4.630 3.377 3.300 3.449 . 0 0 "[ . 1 . 2]" 2
1044 1 38 CYS HB3 1 58 LEU HA . . 4.940 4.458 4.370 4.623 . 0 0 "[ . 1 . 2]" 2
1045 1 38 CYS HB3 1 58 LEU MD2 . . 4.950 4.606 4.373 4.848 . 0 0 "[ . 1 . 2]" 2
1046 1 37 ASN HA 1 38 CYS HB3 . . 5.060 5.007 4.973 5.040 . 0 0 "[ . 1 . 2]" 2
1047 1 37 ASN HA 1 38 CYS HB2 . . 4.610 4.516 4.493 4.534 . 0 0 "[ . 1 . 2]" 2
1048 1 36 PHE HA 1 37 ASN HA . . 4.730 4.356 4.353 4.363 . 0 0 "[ . 1 . 2]" 2
1049 1 37 ASN HA 1 42 SER HA . . 4.840 4.423 4.142 4.651 . 0 0 "[ . 1 . 2]" 2
1050 1 37 ASN HA 1 37 ASN HD21 . . 4.600 4.353 4.045 4.488 . 0 0 "[ . 1 . 2]" 2
1051 1 37 ASN HA 1 46 VAL H . . 4.790 4.407 4.272 4.532 . 0 0 "[ . 1 . 2]" 2
1052 1 24 ILE MG 1 36 PHE HA . . 5.500 4.907 4.478 5.103 . 0 0 "[ . 1 . 2]" 2
1053 1 36 PHE HA 1 45 LEU MD1 . . 5.500 4.428 4.208 4.779 . 0 0 "[ . 1 . 2]" 2
1054 1 31 TRP HB2 1 36 PHE HA . . 4.500 3.323 3.142 3.419 . 0 0 "[ . 1 . 2]" 2
1055 1 35 CYS H 1 36 PHE HA . . 5.500 5.414 5.367 5.481 . 0 0 "[ . 1 . 2]" 2
1056 1 31 TRP HE1 1 36 PHE HA . . 5.450 5.073 4.856 5.241 . 0 0 "[ . 1 . 2]" 2
1057 1 24 ILE MG 1 36 PHE HB3 . . 5.410 4.195 3.979 4.323 . 0 0 "[ . 1 . 2]" 2
1058 1 36 PHE HB3 1 45 LEU MD1 . . 5.500 5.007 4.792 5.257 . 0 0 "[ . 1 . 2]" 2
1059 1 36 PHE HB3 1 37 ASN H . . 4.770 4.324 4.259 4.380 . 0 0 "[ . 1 . 2]" 2
1060 1 35 CYS H 1 36 PHE HB3 . . 5.380 5.327 5.264 5.412 0.032 7 0 "[ . 1 . 2]" 2
1061 1 24 ILE MG 1 36 PHE HB2 . . 4.760 3.670 3.310 3.831 . 0 0 "[ . 1 . 2]" 2
1062 1 36 PHE HB2 1 37 ASN H . . 4.800 4.586 4.503 4.629 . 0 0 "[ . 1 . 2]" 2
1063 1 31 TRP HE3 1 36 PHE QD . . 4.520 3.171 3.019 3.435 . 0 0 "[ . 1 . 2]" 2
1064 1 10 GLY HA3 1 35 CYS HA . . 4.670 4.540 4.280 4.686 0.016 9 0 "[ . 1 . 2]" 2
1065 1 32 HIS HB2 1 35 CYS HA . . 4.950 4.290 4.243 4.372 . 0 0 "[ . 1 . 2]" 2
1066 1 31 TRP HB2 1 35 CYS HB3 . . 5.500 5.515 5.485 5.543 0.043 10 0 "[ . 1 . 2]" 2
1067 1 31 TRP HA 1 35 CYS HB3 . . 5.420 4.566 4.401 4.738 . 0 0 "[ . 1 . 2]" 2
1068 1 35 CYS HB3 1 36 PHE H . . 4.810 3.569 3.386 3.732 . 0 0 "[ . 1 . 2]" 2
1069 1 11 CYS H 1 35 CYS HB3 . . 5.500 3.347 3.039 3.586 . 0 0 "[ . 1 . 2]" 2
1070 1 10 GLY H 1 35 CYS HB3 . . 4.940 4.164 3.896 4.587 . 0 0 "[ . 1 . 2]" 2
1071 1 31 TRP HA 1 35 CYS HB2 . . 4.990 3.891 3.746 4.022 . 0 0 "[ . 1 . 2]" 2
1072 1 34 ASP HA 1 46 VAL MG1 . . 5.100 3.891 3.659 4.098 . 0 0 "[ . 1 . 2]" 2
1073 1 34 ASP HA 1 37 ASN HD22 . . 5.500 4.134 3.744 5.338 . 0 0 "[ . 1 . 2]" 2
1074 1 24 ILE H 1 33 ASN HA . . 4.850 4.472 4.209 4.850 0.000 10 0 "[ . 1 . 2]" 2
1075 1 33 ASN HA 1 36 PHE QD . . 5.040 4.813 4.678 4.970 . 0 0 "[ . 1 . 2]" 2
1076 1 24 ILE MD 1 33 ASN HB2 . . 5.460 4.680 3.512 5.456 . 0 0 "[ . 1 . 2]" 2
1077 1 24 ILE MD 1 33 ASN HB3 . . 5.500 4.782 4.091 5.509 0.009 19 0 "[ . 1 . 2]" 2
1078 1 33 ASN HB2 1 46 VAL MG2 . . 4.960 4.202 3.853 4.834 . 0 0 "[ . 1 . 2]" 2
1079 1 15 ILE MG 1 32 HIS HA . . 4.890 4.368 3.826 4.665 . 0 0 "[ . 1 . 2]" 2
1080 1 23 TYR HB2 1 32 HIS HA . . 4.320 2.725 2.542 3.065 . 0 0 "[ . 1 . 2]" 2
1081 1 23 TYR QD 1 32 HIS HA . . 4.980 4.426 4.157 4.802 . 0 0 "[ . 1 . 2]" 2
1082 1 9 ALA MB 1 31 TRP HA . . 4.840 4.214 3.911 4.574 . 0 0 "[ . 1 . 2]" 2
1083 1 31 TRP HA 1 32 HIS HB2 . . 4.890 4.551 4.506 4.612 . 0 0 "[ . 1 . 2]" 2
1084 1 31 TRP HB2 1 36 PHE QE . . 5.500 3.800 3.600 3.974 . 0 0 "[ . 1 . 2]" 2
1085 1 31 TRP HB2 1 32 HIS H . . 4.160 3.246 3.181 3.465 . 0 0 "[ . 1 . 2]" 2
1086 1 24 ILE H 1 31 TRP HB2 . . 4.390 4.076 3.853 4.408 0.018 9 0 "[ . 1 . 2]" 2
1087 1 24 ILE MG 1 31 TRP HB3 . . 5.300 4.529 4.133 4.833 . 0 0 "[ . 1 . 2]" 2
1088 1 31 TRP HB3 1 36 PHE H . . 4.300 2.830 2.673 2.962 . 0 0 "[ . 1 . 2]" 2
1089 1 31 TRP HB3 1 31 TRP HE3 . . 4.210 4.112 4.086 4.162 . 0 0 "[ . 1 . 2]" 2
1090 1 31 TRP HB3 1 35 CYS H . . 5.370 4.983 4.877 5.137 . 0 0 "[ . 1 . 2]" 2
1091 1 24 ILE MG 1 30 GLN HA . . 5.230 3.828 3.477 4.038 . 0 0 "[ . 1 . 2]" 2
1092 1 15 ILE MD 1 30 GLN HA . . 5.150 4.153 3.861 4.457 . 0 0 "[ . 1 . 2]" 2
1093 1 25 SER HB2 1 30 GLN HA . . 5.500 5.077 4.710 5.542 0.042 19 0 "[ . 1 . 2]" 2
1094 1 25 SER HB3 1 30 GLN HA . . 5.500 5.131 4.772 5.520 0.020 6 0 "[ . 1 . 2]" 2
1095 1 30 GLN HA 1 31 TRP HB2 . . 5.030 4.344 4.291 4.420 . 0 0 "[ . 1 . 2]" 2
1096 1 23 TYR QD 1 30 GLN HA . . 4.950 4.680 4.456 4.852 . 0 0 "[ . 1 . 2]" 2
1097 1 30 GLN HA 1 31 TRP HZ3 . . 4.550 3.633 3.432 3.891 . 0 0 "[ . 1 . 2]" 2
1098 1 15 ILE MG 1 30 GLN HB2 . . 5.250 5.037 4.747 5.253 0.003 1 0 "[ . 1 . 2]" 2
1099 1 15 ILE MD 1 30 GLN HG3 . . 4.520 4.121 3.855 4.395 . 0 0 "[ . 1 . 2]" 2
1100 1 30 GLN H 1 30 GLN HG3 . . 4.530 3.126 2.888 3.372 . 0 0 "[ . 1 . 2]" 2
1101 1 29 ARG HA 1 29 ARG HD3 . . 4.670 4.092 3.857 4.626 . 0 0 "[ . 1 . 2]" 2
1102 1 29 ARG HA 1 29 ARG HD2 . . 4.670 4.476 4.064 4.689 0.019 14 0 "[ . 1 . 2]" 2
1103 1 29 ARG HA 1 30 GLN HG3 . . 4.250 3.326 2.981 3.543 . 0 0 "[ . 1 . 2]" 2
1104 1 29 ARG HA 1 30 GLN HA . . 5.310 4.526 4.490 4.582 . 0 0 "[ . 1 . 2]" 2
1105 1 26 PHE QD 1 29 ARG HA . . 5.500 5.052 4.325 5.474 . 0 0 "[ . 1 . 2]" 2
1106 1 29 ARG HA 1 29 ARG HE . . 5.500 4.966 4.145 5.516 0.016 19 0 "[ . 1 . 2]" 2
1107 1 29 ARG HA 1 31 TRP HZ3 . . 5.500 5.374 5.127 5.502 0.002 20 0 "[ . 1 . 2]" 2
1108 1 29 ARG HA 1 31 TRP HH2 . . 5.500 5.079 4.881 5.389 . 0 0 "[ . 1 . 2]" 2
1109 1 29 ARG HB3 1 31 TRP HH2 . . 4.400 2.742 2.401 3.234 . 0 0 "[ . 1 . 2]" 2
1110 1 26 PHE QD 1 29 ARG HB3 . . 5.500 4.434 3.956 4.869 . 0 0 "[ . 1 . 2]" 2
1111 1 29 ARG HB3 1 29 ARG HE . . 5.500 4.227 2.859 4.870 . 0 0 "[ . 1 . 2]" 2
1112 1 9 ALA MB 1 29 ARG HG3 . . 5.060 4.657 4.386 4.895 . 0 0 "[ . 1 . 2]" 2
1113 1 29 ARG HG3 1 31 TRP HH2 . . 4.790 4.065 3.576 4.681 . 0 0 "[ . 1 . 2]" 2
1114 1 29 ARG HG2 1 31 TRP HH2 . . 4.980 4.648 4.341 4.870 . 0 0 "[ . 1 . 2]" 2
1115 1 29 ARG HD2 1 31 TRP HH2 . . 4.090 2.716 2.298 3.701 . 0 0 "[ . 1 . 2]" 2
1116 1 29 ARG HD2 1 30 GLN H . . 5.270 4.858 3.903 5.364 0.094 14 0 "[ . 1 . 2]" 2
1117 1 29 ARG HD3 1 30 GLN H . . 5.270 4.304 3.760 5.256 . 0 0 "[ . 1 . 2]" 2
1118 1 29 ARG HD3 1 31 TRP HH2 . . 4.090 3.671 2.282 4.099 0.009 2 0 "[ . 1 . 2]" 2
1119 1 27 GLU HA 1 28 GLU HG3 . . 5.030 4.667 4.477 4.821 . 0 0 "[ . 1 . 2]" 2
1120 1 27 GLU HA 1 28 GLU HG2 . . 5.030 4.882 4.679 5.016 . 0 0 "[ . 1 . 2]" 2
1121 1 27 GLU HA 1 28 GLU HA . . 5.010 4.549 4.547 4.552 . 0 0 "[ . 1 . 2]" 2
1122 1 26 PHE QD 1 27 GLU HA . . 5.080 4.702 4.572 4.777 . 0 0 "[ . 1 . 2]" 2
1123 1 27 GLU HA 1 29 ARG H . . 5.460 5.434 5.292 5.470 0.010 13 0 "[ . 1 . 2]" 2
1124 1 27 GLU HB3 1 29 ARG H . . 5.270 5.193 4.948 5.276 0.006 4 0 "[ . 1 . 2]" 2
1125 1 27 GLU HB2 1 29 ARG H . . 5.270 3.987 3.765 4.087 . 0 0 "[ . 1 . 2]" 2
1126 1 26 PHE QD 1 27 GLU HG3 . . 5.060 4.075 3.418 4.779 . 0 0 "[ . 1 . 2]" 2
1127 1 26 PHE QE 1 27 GLU HG3 . . 5.310 3.360 2.860 3.931 . 0 0 "[ . 1 . 2]" 2
1128 1 26 PHE QD 1 27 GLU HG2 . . 5.060 4.200 3.548 4.943 . 0 0 "[ . 1 . 2]" 2
1129 1 26 PHE QE 1 27 GLU HG2 . . 5.310 3.883 3.122 4.638 . 0 0 "[ . 1 . 2]" 2
1130 1 26 PHE QB 1 29 ARG HB2 . . 4.750 2.806 2.643 2.966 . 0 0 "[ . 1 . 2]" 2
1131 1 26 PHE QB 1 30 GLN HA . . 4.150 3.453 3.127 3.602 . 0 0 "[ . 1 . 2]" 2
1132 1 26 PHE QB 1 50 PHE QE . . 4.770 3.713 3.558 4.061 . 0 0 "[ . 1 . 2]" 2
1133 1 26 PHE QE 1 50 PHE HZ . . 4.760 3.792 3.016 4.617 . 0 0 "[ . 1 . 2]" 2
1134 1 26 PHE QD 1 50 PHE HZ . . 4.490 2.607 1.997 3.378 . 0 0 "[ . 1 . 2]" 2
1135 1 24 ILE MG 1 25 SER HA . . 4.750 3.818 3.545 3.995 . 0 0 "[ . 1 . 2]" 2
1136 1 25 SER HA 1 30 GLN HB2 . . 4.860 4.317 3.994 4.594 . 0 0 "[ . 1 . 2]" 2
1137 1 25 SER HA 1 30 GLN HB3 . . 4.340 2.873 2.464 3.186 . 0 0 "[ . 1 . 2]" 2
1138 1 25 SER HA 1 26 PHE QB . . 4.860 4.046 3.999 4.096 . 0 0 "[ . 1 . 2]" 2
1139 1 25 SER HA 1 31 TRP HZ3 . . 5.500 5.283 4.931 5.501 0.001 2 0 "[ . 1 . 2]" 2
1140 1 25 SER HA 1 31 TRP H . . 4.600 3.633 3.451 3.796 . 0 0 "[ . 1 . 2]" 2
1141 1 24 ILE MG 1 25 SER HB3 . . 5.500 4.948 4.467 5.294 . 0 0 "[ . 1 . 2]" 2
1142 1 24 ILE MG 1 25 SER HB2 . . 5.500 5.212 4.693 5.459 . 0 0 "[ . 1 . 2]" 2
1143 1 23 TYR HA 1 24 ILE HA . . 5.060 4.351 4.327 4.383 . 0 0 "[ . 1 . 2]" 2
1144 1 24 ILE HA 1 25 SER HA . . 4.960 4.399 4.392 4.418 . 0 0 "[ . 1 . 2]" 2
1145 1 24 ILE HB 1 36 PHE HB2 . . 4.820 3.155 2.988 3.301 . 0 0 "[ . 1 . 2]" 2
1146 1 23 TYR HA 1 24 ILE HB . . 5.080 4.903 4.756 4.995 . 0 0 "[ . 1 . 2]" 2
1147 1 24 ILE HB 1 30 GLN HA . . 5.130 4.163 3.925 4.459 . 0 0 "[ . 1 . 2]" 2
1148 1 24 ILE HB 1 36 PHE QE . . 5.450 4.451 4.283 4.691 . 0 0 "[ . 1 . 2]" 2
1149 1 24 ILE HB 1 36 PHE QD . . 4.760 3.644 3.474 3.783 . 0 0 "[ . 1 . 2]" 2
1150 1 24 ILE HG12 1 25 SER H . . 5.500 5.137 4.962 5.512 0.012 7 0 "[ . 1 . 2]" 2
1151 1 15 ILE HG13 1 32 HIS HD2 . . 5.500 4.921 4.392 5.466 . 0 0 "[ . 1 . 2]" 2
1152 1 24 ILE HG13 1 25 SER H . . 5.500 5.275 4.382 5.530 0.030 12 0 "[ . 1 . 2]" 2
1153 1 24 ILE MG 1 31 TRP HB2 . . 4.490 3.080 2.662 3.380 . 0 0 "[ . 1 . 2]" 2
1154 1 24 ILE MG 1 31 TRP HZ3 . . 5.130 3.668 3.428 4.196 . 0 0 "[ . 1 . 2]" 2
1155 1 24 ILE MG 1 26 PHE H . . 5.090 4.305 4.058 4.618 . 0 0 "[ . 1 . 2]" 2
1156 1 24 ILE MG 1 31 TRP H . . 4.900 3.637 3.145 3.932 . 0 0 "[ . 1 . 2]" 2
1157 1 24 ILE MD 1 36 PHE QE . . 4.750 3.709 3.175 4.793 0.043 10 0 "[ . 1 . 2]" 2
1158 1 24 ILE MD 1 33 ASN HD22 . . 5.460 3.653 2.657 4.568 . 0 0 "[ . 1 . 2]" 2
1159 1 24 ILE MD 1 33 ASN HD21 . . 4.740 3.421 2.638 4.692 . 0 0 "[ . 1 . 2]" 2
1160 1 24 ILE MD 1 25 SER H . . 5.390 3.920 3.518 4.803 . 0 0 "[ . 1 . 2]" 2
1161 1 24 ILE H 1 24 ILE MD . . 4.920 3.130 1.756 3.800 . 0 0 "[ . 1 . 2]" 2
1162 1 24 ILE MD 1 33 ASN H . . 5.500 4.126 2.633 4.863 . 0 0 "[ . 1 . 2]" 2
1163 1 24 ILE MD 1 47 GLY H . . 5.500 3.595 2.865 5.264 . 0 0 "[ . 1 . 2]" 2
1164 1 24 ILE MD 1 36 PHE HA . . 5.500 5.281 4.183 5.589 0.089 6 0 "[ . 1 . 2]" 2
1165 1 24 ILE MD 1 46 VAL HB . . 5.310 2.563 2.415 2.703 . 0 0 "[ . 1 . 2]" 2
1166 1 15 ILE MD 1 23 TYR HA . . 5.390 4.837 4.599 5.158 . 0 0 "[ . 1 . 2]" 2
1167 1 15 ILE MG 1 23 TYR HA . . 4.900 4.382 4.121 4.706 . 0 0 "[ . 1 . 2]" 2
1168 1 23 TYR HA 1 24 ILE MG . . 5.500 5.468 5.415 5.536 0.036 9 0 "[ . 1 . 2]" 2
1169 1 23 TYR HA 1 24 ILE MD . . 5.310 3.734 2.344 4.384 . 0 0 "[ . 1 . 2]" 2
1170 1 23 TYR HA 1 33 ASN HA . . 4.400 4.048 3.780 4.416 0.016 2 0 "[ . 1 . 2]" 2
1171 1 22 LYS HA 1 22 LYS QE . . 4.880 4.539 3.523 4.839 . 0 0 "[ . 1 . 2]" 2
1172 1 22 LYS HA 1 23 TYR HB3 . . 5.500 5.170 4.867 5.406 . 0 0 "[ . 1 . 2]" 2
1173 1 22 LYS HA 1 23 TYR HA . . 5.080 4.640 4.383 4.876 . 0 0 "[ . 1 . 2]" 2
1174 1 22 LYS HA 1 33 ASN HD22 . . 4.860 4.187 3.451 4.875 0.015 4 0 "[ . 1 . 2]" 2
1175 1 22 LYS HA 1 33 ASN HD21 . . 5.500 4.757 3.966 5.536 0.036 18 0 "[ . 1 . 2]" 2
1176 1 22 LYS HB3 1 33 ASN HD22 . . 5.050 2.621 1.912 3.437 . 0 0 "[ . 1 . 2]" 2
1177 1 22 LYS HB3 1 33 ASN HD21 . . 4.970 3.344 1.897 4.128 . 0 0 "[ . 1 . 2]" 2
1178 1 22 LYS HG3 1 23 TYR H . . 5.480 4.975 4.721 5.428 . 0 0 "[ . 1 . 2]" 2
1179 1 22 LYS HG2 1 23 TYR H . . 5.480 5.195 4.816 5.480 0.000 5 0 "[ . 1 . 2]" 2
1180 1 15 ILE MG 1 21 THR HB . . 5.030 3.445 3.007 3.663 . 0 0 "[ . 1 . 2]" 2
1181 1 21 THR HB 1 23 TYR QD . . 4.750 2.139 1.985 2.522 . 0 0 "[ . 1 . 2]" 2
1182 1 15 ILE HG12 1 15 ILE MG . . 2.760 2.328 2.244 2.405 . 0 0 "[ . 1 . 2]" 2
1183 1 15 ILE MD 1 15 ILE MG . . 2.840 2.052 1.935 2.238 . 0 0 "[ . 1 . 2]" 2
1184 1 15 ILE MG 1 30 GLN HB3 . . 4.790 4.466 4.101 4.792 0.002 18 0 "[ . 1 . 2]" 2
1185 1 15 ILE H 1 15 ILE MG . . 4.680 3.814 3.753 3.917 . 0 0 "[ . 1 . 2]" 2
1186 1 15 ILE MG 1 24 ILE H . . 5.240 4.612 4.107 4.885 . 0 0 "[ . 1 . 2]" 2
1187 1 7 GLY H 1 15 ILE MD . . 5.500 4.690 3.666 5.265 . 0 0 "[ . 1 . 2]" 2
1188 1 15 ILE MD 1 30 GLN H . . 5.500 4.609 4.349 4.945 . 0 0 "[ . 1 . 2]" 2
1189 1 8 CYS H 1 15 ILE MD . . 4.910 2.937 2.476 3.525 . 0 0 "[ . 1 . 2]" 2
1190 1 9 ALA H 1 15 ILE MD . . 4.320 3.968 3.621 4.301 . 0 0 "[ . 1 . 2]" 2
1191 1 14 PRO HA 1 15 ILE HG12 . . 5.500 5.101 4.490 5.503 0.003 2 0 "[ . 1 . 2]" 2
1192 1 14 PRO HA 1 15 ILE MD . . 5.500 4.846 4.570 5.257 . 0 0 "[ . 1 . 2]" 2
1193 1 14 PRO HA 1 15 ILE HB . . 4.920 4.663 4.554 4.808 . 0 0 "[ . 1 . 2]" 2
1194 1 14 PRO HA 1 15 ILE HG13 . . 4.780 3.652 3.270 4.073 . 0 0 "[ . 1 . 2]" 2
1195 1 13 ASN H 1 14 PRO HD2 . . 5.460 4.804 4.782 4.817 . 0 0 "[ . 1 . 2]" 2
1196 1 12 THR MG 1 13 ASN H . . 5.120 4.331 4.290 4.351 . 0 0 "[ . 1 . 2]" 2
1197 1 8 CYS HA 1 15 ILE HG13 . . 4.710 3.585 3.191 4.012 . 0 0 "[ . 1 . 2]" 2
1198 1 8 CYS HB2 1 15 ILE MG . . 4.340 4.123 3.751 4.322 . 0 0 "[ . 1 . 2]" 2
1199 1 8 CYS HB2 1 31 TRP HA . . 4.740 3.004 2.493 3.348 . 0 0 "[ . 1 . 2]" 2
1200 1 8 CYS HB3 1 31 TRP HA . . 5.500 4.152 3.747 4.481 . 0 0 "[ . 1 . 2]" 2
1201 1 8 CYS HB3 1 32 HIS H . . 5.430 5.163 4.709 5.432 0.002 16 0 "[ . 1 . 2]" 2
1202 1 8 CYS HB3 1 10 GLY H . . 5.070 4.136 3.585 4.503 . 0 0 "[ . 1 . 2]" 2
1203 1 9 ALA HA 1 30 GLN H . . 4.980 4.971 4.830 5.001 0.021 14 0 "[ . 1 . 2]" 2
1204 1 8 CYS HA 1 9 ALA HA . . 4.460 4.441 4.373 4.498 0.038 4 0 "[ . 1 . 2]" 2
1205 1 9 ALA MB 1 31 TRP HH2 . . 4.770 4.418 3.854 4.755 . 0 0 "[ . 1 . 2]" 2
1206 1 9 ALA MB 1 29 ARG HE . . 5.490 4.384 1.770 5.381 . 0 0 "[ . 1 . 2]" 2
1207 1 9 ALA MB 1 31 TRP HE3 . . 5.500 4.920 4.397 5.262 . 0 0 "[ . 1 . 2]" 2
1208 1 9 ALA MB 1 10 GLY H . . 4.370 3.112 2.642 3.720 . 0 0 "[ . 1 . 2]" 2
1209 1 10 GLY HA2 1 12 THR H . . 5.440 3.930 3.792 4.060 . 0 0 "[ . 1 . 2]" 2
1210 1 15 ILE HG12 1 32 HIS HE1 . . 5.020 3.523 3.044 3.948 . 0 0 "[ . 1 . 2]" 2
1211 1 31 TRP HB3 1 36 PHE HB3 . . 4.380 4.166 4.002 4.363 . 0 0 "[ . 1 . 2]" 2
1212 1 36 PHE QE 1 57 ILE MG . . 4.510 3.080 2.916 3.259 . 0 0 "[ . 1 . 2]" 2
1213 1 36 PHE QE 1 50 PHE QD . . 4.370 2.461 2.250 2.864 . 0 0 "[ . 1 . 2]" 2
1214 1 50 PHE QE 1 57 ILE MD . . 5.500 4.691 3.970 4.980 . 0 0 "[ . 1 . 2]" 2
1215 1 24 ILE MG 1 50 PHE QE . . 5.080 3.434 3.079 3.807 . 0 0 "[ . 1 . 2]" 2
1216 1 36 PHE QE 1 50 PHE QE . . 4.760 2.929 2.689 3.221 . 0 0 "[ . 1 . 2]" 2
1217 1 24 ILE MG 1 36 PHE HZ . . 4.660 3.178 3.005 3.305 . 0 0 "[ . 1 . 2]" 2
1218 1 36 PHE HZ 1 45 LEU MD1 . . 5.060 3.611 3.464 3.794 . 0 0 "[ . 1 . 2]" 2
1219 1 36 PHE HZ 1 50 PHE HZ . . 4.790 3.243 3.051 3.677 . 0 0 "[ . 1 . 2]" 2
1220 1 36 PHE HZ 1 50 PHE QD . . 4.770 2.817 2.770 2.903 . 0 0 "[ . 1 . 2]" 2
1221 1 12 THR HB 1 13 ASN H . . 5.410 4.426 4.393 4.478 . 0 0 "[ . 1 . 2]" 2
1222 1 12 THR HB 1 13 ASN HA . . 4.980 4.801 4.756 4.869 . 0 0 "[ . 1 . 2]" 2
1223 1 12 THR HA 1 12 THR HB . . 3.010 2.435 2.408 2.453 . 0 0 "[ . 1 . 2]" 2
1224 1 10 GLY HA3 1 12 THR MG . . 5.370 5.245 5.096 5.361 . 0 0 "[ . 1 . 2]" 2
1225 1 8 CYS HA 1 32 HIS H . . 5.150 4.864 4.601 5.109 . 0 0 "[ . 1 . 2]" 2
1226 1 8 CYS HA 1 30 GLN H . . 5.410 4.104 3.729 4.456 . 0 0 "[ . 1 . 2]" 2
1227 1 11 CYS HA 1 13 ASN H . . 5.320 4.793 4.421 4.995 . 0 0 "[ . 1 . 2]" 2
1228 1 12 THR HA 1 13 ASN HA . . 5.380 4.398 4.365 4.454 . 0 0 "[ . 1 . 2]" 2
1229 1 12 THR HA 1 12 THR MG . . 3.180 2.431 2.308 2.467 . 0 0 "[ . 1 . 2]" 2
1230 1 66 ILE MG 1 67 SER HA . . 4.620 3.966 3.396 4.296 . 0 0 "[ . 1 . 2]" 2
1231 1 15 ILE HB 1 16 SER QB . . 4.860 4.524 3.715 4.867 0.007 1 0 "[ . 1 . 2]" 2
1232 1 15 ILE HB 1 16 SER HA . . 5.490 4.798 4.042 5.431 . 0 0 "[ . 1 . 2]" 2
1233 1 14 PRO HA 1 15 ILE HA . . 4.500 4.413 4.372 4.474 . 0 0 "[ . 1 . 2]" 2
1234 1 10 GLY HA3 1 31 TRP HE1 . . 5.280 4.323 3.932 4.944 . 0 0 "[ . 1 . 2]" 2
1235 1 36 PHE HZ 1 57 ILE MG . . 5.380 3.939 3.613 4.257 . 0 0 "[ . 1 . 2]" 2
1236 1 36 PHE HZ 1 57 ILE MD . . 5.380 3.572 3.266 3.952 . 0 0 "[ . 1 . 2]" 2
1237 1 60 PRO HA 1 63 GLY HA3 . . 4.760 3.851 3.730 4.006 . 0 0 "[ . 1 . 2]" 2
1238 1 60 PRO HA 1 64 LYS H . . 5.480 3.349 3.067 3.621 . 0 0 "[ . 1 . 2]" 2
1239 1 60 PRO HA 1 62 CYS H . . 5.300 4.460 4.230 4.877 . 0 0 "[ . 1 . 2]" 2
1240 1 51 LEU HG 1 60 PRO HB3 . . 5.500 5.227 4.859 5.400 . 0 0 "[ . 1 . 2]" 2
1241 1 58 LEU HA 1 62 CYS HB2 . . 4.790 4.209 3.982 4.374 . 0 0 "[ . 1 . 2]" 2
1242 1 58 LEU HA 1 62 CYS HB3 . . 5.490 5.190 4.903 5.459 . 0 0 "[ . 1 . 2]" 2
1243 1 61 ASP H 1 62 CYS HB2 . . 5.500 4.814 4.632 5.024 . 0 0 "[ . 1 . 2]" 2
1244 1 58 LEU HB2 1 63 GLY HA2 . . 4.080 3.920 3.706 4.044 . 0 0 "[ . 1 . 2]" 2
1245 1 62 CYS H 1 63 GLY HA3 . . 4.920 4.726 4.609 4.923 0.003 17 0 "[ . 1 . 2]" 2
1246 1 7 GLY QA 1 8 CYS H . . 3.080 2.203 2.109 2.469 . 0 0 "[ . 1 . 2]" 2
1247 1 7 GLY QA 1 8 CYS HB2 . . 4.700 4.511 4.450 4.577 . 0 0 "[ . 1 . 2]" 2
1248 1 7 GLY QA 1 8 CYS HB3 . . 4.840 4.229 4.171 4.338 . 0 0 "[ . 1 . 2]" 2
1249 1 7 GLY QA 1 14 PRO HA . . 3.220 2.347 1.859 2.798 . 0 0 "[ . 1 . 2]" 2
1250 1 7 GLY QA 1 14 PRO QB . . 5.090 3.909 3.176 4.469 . 0 0 "[ . 1 . 2]" 2
1251 1 7 GLY QA 1 15 ILE H . . 3.760 2.564 1.931 3.006 . 0 0 "[ . 1 . 2]" 2
1252 1 7 GLY QA 1 15 ILE HB . . 5.340 3.584 2.873 3.983 . 0 0 "[ . 1 . 2]" 2
1253 1 7 GLY QA 1 15 ILE MG . . 4.960 4.673 4.060 4.956 . 0 0 "[ . 1 . 2]" 2
1254 1 7 GLY QA 1 15 ILE HG13 . . 5.030 2.707 2.131 3.088 . 0 0 "[ . 1 . 2]" 2
1255 1 7 GLY QA 1 15 ILE MD . . 4.140 2.959 2.351 3.360 . 0 0 "[ . 1 . 2]" 2
1256 1 9 ALA MB 1 29 ARG QD . . 3.460 2.621 2.279 3.186 . 0 0 "[ . 1 . 2]" 2
1257 1 11 CYS HA 1 11 CYS QB . . 2.530 2.185 2.183 2.186 . 0 0 "[ . 1 . 2]" 2
1258 1 11 CYS QB 1 12 THR MG . . 5.080 4.903 4.813 4.963 . 0 0 "[ . 1 . 2]" 2
1259 1 11 CYS QB 1 13 ASN H . . 4.890 4.285 3.915 4.478 . 0 0 "[ . 1 . 2]" 2
1260 1 13 ASN H 1 13 ASN QB . . 3.460 2.610 2.460 2.764 . 0 0 "[ . 1 . 2]" 2
1261 1 13 ASN QB 1 14 PRO QG . . 4.520 3.604 3.476 4.225 . 0 0 "[ . 1 . 2]" 2
1262 1 13 ASN QB 1 14 PRO HD2 . . 3.000 2.057 1.986 2.581 . 0 0 "[ . 1 . 2]" 2
1263 1 13 ASN QB 1 14 PRO HD3 . . 3.460 3.394 3.308 3.598 0.138 8 0 "[ . 1 . 2]" 2
1264 1 13 ASN QB 1 32 HIS HE1 . . 3.600 3.201 2.191 3.613 0.013 2 0 "[ . 1 . 2]" 2
1265 1 14 PRO QB 1 15 ILE H . . 3.750 3.114 2.414 3.681 . 0 0 "[ . 1 . 2]" 2
1266 1 15 ILE MG 1 30 GLN QE . . 5.340 4.633 3.365 5.343 0.003 3 0 "[ . 1 . 2]" 2
1267 1 17 GLY QA 1 18 LEU HA . . 4.730 3.997 3.932 4.289 . 0 0 "[ . 1 . 2]" 2
1268 1 18 LEU HA 1 18 LEU QD . . 2.960 2.310 1.864 2.949 . 0 0 "[ . 1 . 2]" 2
1269 1 18 LEU QB 1 18 LEU QD . . 2.630 1.886 1.762 2.048 . 0 0 "[ . 1 . 2]" 2
1270 1 20 GLY QA 1 23 TYR QE . . 4.920 4.761 4.192 4.945 0.025 10 0 "[ . 1 . 2]" 2
1271 1 21 THR HA 1 22 LYS QB . . 4.690 4.426 4.132 4.575 . 0 0 "[ . 1 . 2]" 2
1272 1 22 LYS H 1 22 LYS QB . . 3.480 2.492 2.187 3.374 . 0 0 "[ . 1 . 2]" 2
1273 1 22 LYS HA 1 22 LYS QB . . 2.610 2.381 2.333 2.478 . 0 0 "[ . 1 . 2]" 2
1274 1 22 LYS HA 1 22 LYS QG . . 3.200 2.428 2.273 2.546 . 0 0 "[ . 1 . 2]" 2
1275 1 22 LYS QB 1 22 LYS QG . . 2.350 2.077 2.063 2.087 . 0 0 "[ . 1 . 2]" 2
1276 1 22 LYS QB 1 22 LYS QD . . 2.330 2.157 2.039 2.279 . 0 0 "[ . 1 . 2]" 2
1277 1 22 LYS QB 1 22 LYS QE . . 3.890 3.069 2.001 3.670 . 0 0 "[ . 1 . 2]" 2
1278 1 22 LYS QB 1 33 ASN HB2 . . 4.350 3.810 3.058 4.361 0.011 12 0 "[ . 1 . 2]" 2
1279 1 22 LYS QB 1 33 ASN HB3 . . 5.090 4.436 4.059 4.925 . 0 0 "[ . 1 . 2]" 2
1280 1 22 LYS QB 1 33 ASN HD21 . . 4.270 3.043 1.878 3.885 . 0 0 "[ . 1 . 2]" 2
1281 1 22 LYS QB 1 33 ASN HD22 . . 4.200 2.499 1.759 3.375 . 0 0 "[ . 1 . 2]" 2
1282 1 22 LYS QD 1 22 LYS QG . . 2.380 2.063 2.023 2.092 . 0 0 "[ . 1 . 2]" 2
1283 1 22 LYS QE 1 22 LYS QG . . 2.980 2.275 2.095 2.625 . 0 0 "[ . 1 . 2]" 2
1284 1 23 TYR HA 1 24 ILE QG . . 4.530 3.554 3.212 4.441 . 0 0 "[ . 1 . 2]" 2
1285 1 23 TYR QD 1 25 SER QB . . 5.310 3.641 3.403 4.332 . 0 0 "[ . 1 . 2]" 2
1286 1 24 ILE H 1 24 ILE QG . . 3.570 2.407 1.914 3.274 . 0 0 "[ . 1 . 2]" 2
1287 1 24 ILE HA 1 24 ILE QG . . 3.490 2.844 2.367 3.051 . 0 0 "[ . 1 . 2]" 2
1288 1 24 ILE HA 1 25 SER QB . . 4.840 4.376 4.001 4.612 . 0 0 "[ . 1 . 2]" 2
1289 1 24 ILE QG 1 24 ILE MG . . 3.210 2.289 2.040 2.403 . 0 0 "[ . 1 . 2]" 2
1290 1 24 ILE QG 1 25 SER H . . 4.830 4.589 4.176 4.731 . 0 0 "[ . 1 . 2]" 2
1291 1 24 ILE QG 1 31 TRP HB2 . . 4.480 3.116 2.832 3.386 . 0 0 "[ . 1 . 2]" 2
1292 1 24 ILE QG 1 33 ASN HA . . 3.700 2.911 2.210 3.654 . 0 0 "[ . 1 . 2]" 2
1293 1 24 ILE QG 1 33 ASN HD21 . . 5.340 4.282 2.931 5.370 0.030 9 0 "[ . 1 . 2]" 2
1294 1 24 ILE QG 1 36 PHE H . . 5.340 3.915 3.697 4.385 . 0 0 "[ . 1 . 2]" 2
1295 1 24 ILE QG 1 36 PHE HA . . 4.370 4.225 4.114 4.425 0.055 5 0 "[ . 1 . 2]" 2
1296 1 24 ILE QG 1 36 PHE HB2 . . 3.650 2.040 1.935 2.365 . 0 0 "[ . 1 . 2]" 2
1297 1 24 ILE QG 1 36 PHE HB3 . . 3.800 2.546 2.429 2.669 . 0 0 "[ . 1 . 2]" 2
1298 1 24 ILE QG 1 36 PHE QD . . 3.660 2.547 2.290 2.796 . 0 0 "[ . 1 . 2]" 2
1299 1 25 SER H 1 25 SER QB . . 3.090 2.890 2.515 3.065 . 0 0 "[ . 1 . 2]" 2
1300 1 25 SER QB 1 26 PHE H . . 3.690 3.350 3.019 3.698 0.008 18 0 "[ . 1 . 2]" 2
1301 1 25 SER QB 1 30 GLN HA . . 4.810 4.520 4.441 4.664 . 0 0 "[ . 1 . 2]" 2
1302 1 25 SER QB 1 30 GLN HB3 . . 4.110 3.934 3.518 4.118 0.008 11 0 "[ . 1 . 2]" 2
1303 1 25 SER QB 1 30 GLN HG2 . . 4.030 3.307 3.028 3.784 . 0 0 "[ . 1 . 2]" 2
1304 1 26 PHE QD 1 27 GLU QB . . 4.110 3.058 2.671 3.395 . 0 0 "[ . 1 . 2]" 2
1305 1 26 PHE QE 1 27 GLU QB . . 4.320 3.151 2.736 3.406 . 0 0 "[ . 1 . 2]" 2
1306 1 27 GLU H 1 27 GLU QB . . 3.610 2.595 2.549 2.639 . 0 0 "[ . 1 . 2]" 2
1307 1 27 GLU H 1 27 GLU QG . . 3.530 2.083 1.952 2.248 . 0 0 "[ . 1 . 2]" 2
1308 1 27 GLU HA 1 27 GLU QG . . 3.250 2.615 2.308 3.006 . 0 0 "[ . 1 . 2]" 2
1309 1 27 GLU HA 1 28 GLU QG . . 4.400 4.243 4.164 4.321 . 0 0 "[ . 1 . 2]" 2
1310 1 27 GLU QB 1 27 GLU QG . . 2.310 2.037 1.973 2.086 . 0 0 "[ . 1 . 2]" 2
1311 1 27 GLU QB 1 28 GLU H . . 2.890 2.306 2.104 2.411 . 0 0 "[ . 1 . 2]" 2
1312 1 27 GLU QB 1 28 GLU HA . . 4.590 4.185 4.113 4.222 . 0 0 "[ . 1 . 2]" 2
1313 1 27 GLU QG 1 28 GLU H . . 4.030 3.978 3.888 4.031 0.001 1 0 "[ . 1 . 2]" 2
1314 1 28 GLU HA 1 28 GLU QG . . 3.320 2.354 2.274 2.422 . 0 0 "[ . 1 . 2]" 2
1315 1 28 GLU QB 1 29 ARG H . . 3.670 2.522 2.483 2.655 . 0 0 "[ . 1 . 2]" 2
1316 1 29 ARG H 1 29 ARG QD . . 5.340 4.277 3.518 4.666 . 0 0 "[ . 1 . 2]" 2
1317 1 29 ARG QD 1 30 GLN H . . 4.520 3.964 3.625 4.466 . 0 0 "[ . 1 . 2]" 2
1318 1 29 ARG QD 1 31 TRP HZ2 . . 4.040 2.296 1.995 3.189 . 0 0 "[ . 1 . 2]" 2
1319 1 29 ARG QD 1 31 TRP HH2 . . 3.590 2.575 2.262 2.809 . 0 0 "[ . 1 . 2]" 2
1320 1 32 HIS HB2 1 34 ASP QB . . 4.560 3.945 3.764 4.106 . 0 0 "[ . 1 . 2]" 2
1321 1 32 HIS HB3 1 34 ASP QB . . 4.610 3.556 3.316 3.789 . 0 0 "[ . 1 . 2]" 2
1322 1 34 ASP H 1 34 ASP QB . . 3.220 2.364 2.250 2.475 . 0 0 "[ . 1 . 2]" 2
1323 1 35 CYS HA 1 37 ASN QB . . 5.340 4.732 4.553 5.156 . 0 0 "[ . 1 . 2]" 2
1324 1 37 ASN H 1 37 ASN QB . . 3.510 2.918 2.803 3.381 . 0 0 "[ . 1 . 2]" 2
1325 1 37 ASN QB 1 37 ASN HD21 . . 3.030 2.095 2.087 2.117 . 0 0 "[ . 1 . 2]" 2
1326 1 37 ASN QB 1 37 ASN HD22 . . 3.330 3.223 3.216 3.236 . 0 0 "[ . 1 . 2]" 2
1327 1 37 ASN QB 1 38 CYS H . . 3.270 2.710 2.622 2.784 . 0 0 "[ . 1 . 2]" 2
1328 1 37 ASN QB 1 38 CYS HB2 . . 4.880 4.624 4.578 4.704 . 0 0 "[ . 1 . 2]" 2
1329 1 37 ASN QB 1 38 CYS HB3 . . 4.340 4.264 4.189 4.355 0.015 10 0 "[ . 1 . 2]" 2
1330 1 37 ASN QB 1 42 SER H . . 4.840 4.588 4.419 4.734 . 0 0 "[ . 1 . 2]" 2
1331 1 37 ASN QB 1 42 SER HA . . 3.290 2.599 2.390 2.825 . 0 0 "[ . 1 . 2]" 2
1332 1 37 ASN QB 1 42 SER QB . . 4.190 3.270 2.735 4.027 . 0 0 "[ . 1 . 2]" 2
1333 1 37 ASN QB 1 43 LEU H . . 4.890 3.552 3.322 3.807 . 0 0 "[ . 1 . 2]" 2
1334 1 37 ASN QB 1 45 LEU H . . 4.810 4.231 3.692 4.466 . 0 0 "[ . 1 . 2]" 2
1335 1 39 LYS H 1 39 LYS QG . . 4.360 4.119 4.050 4.183 . 0 0 "[ . 1 . 2]" 2
1336 1 39 LYS HA 1 39 LYS QG . . 3.410 2.417 2.144 2.715 . 0 0 "[ . 1 . 2]" 2
1337 1 39 LYS HA 1 39 LYS QD . . 3.380 2.742 1.980 3.444 0.064 8 0 "[ . 1 . 2]" 2
1338 1 39 LYS QD 1 39 LYS QG . . 2.340 2.057 2.019 2.092 . 0 0 "[ . 1 . 2]" 2
1339 1 39 LYS QE 1 39 LYS QG . . 3.180 2.195 2.029 2.449 . 0 0 "[ . 1 . 2]" 2
1340 1 39 LYS QG 1 40 LYS H . . 4.660 4.532 4.384 4.680 0.020 13 0 "[ . 1 . 2]" 2
1341 1 39 LYS QG 1 56 ASP HA . . 4.420 4.266 3.912 4.447 0.027 16 0 "[ . 1 . 2]" 2
1342 1 39 LYS QG 1 56 ASP HB3 . . 3.850 2.261 2.164 2.473 . 0 0 "[ . 1 . 2]" 2
1343 1 39 LYS QG 1 57 ILE H . . 4.600 3.702 3.351 4.046 . 0 0 "[ . 1 . 2]" 2
1344 1 39 LYS QD 1 56 ASP HA . . 5.340 4.812 3.483 5.366 0.026 13 0 "[ . 1 . 2]" 2
1345 1 41 CYS HA 1 42 SER QB . . 5.340 4.072 3.941 4.454 . 0 0 "[ . 1 . 2]" 2
1346 1 41 CYS HB2 1 43 LEU QD . . 5.330 4.371 4.284 4.502 . 0 0 "[ . 1 . 2]" 2
1347 1 42 SER H 1 42 SER QB . . 3.130 3.064 2.922 3.192 0.062 20 0 "[ . 1 . 2]" 2
1348 1 42 SER HA 1 42 SER QB . . 2.520 2.404 2.181 2.492 . 0 0 "[ . 1 . 2]" 2
1349 1 43 LEU H 1 43 LEU QD . . 3.900 3.775 3.570 3.845 . 0 0 "[ . 1 . 2]" 2
1350 1 43 LEU HA 1 43 LEU QD . . 2.990 2.326 2.118 3.157 0.167 17 0 "[ . 1 . 2]" 2
1351 1 43 LEU HA 1 44 SER QB . . 4.790 4.198 4.173 4.239 . 0 0 "[ . 1 . 2]" 2
1352 1 43 LEU HB3 1 43 LEU QD . . 2.870 2.127 2.010 2.267 . 0 0 "[ . 1 . 2]" 2
1353 1 43 LEU HG 1 44 SER QB . . 4.710 3.296 3.147 3.453 . 0 0 "[ . 1 . 2]" 2
1354 1 43 LEU QD 1 44 SER H . . 3.320 2.129 1.873 2.778 . 0 0 "[ . 1 . 2]" 2
1355 1 43 LEU QD 1 44 SER QB . . 4.170 2.969 2.692 3.254 . 0 0 "[ . 1 . 2]" 2
1356 1 43 LEU QD 1 45 LEU MD2 . . 3.680 3.376 2.045 3.684 0.004 20 0 "[ . 1 . 2]" 2
1357 1 43 LEU QD 1 48 ARG QD . . 3.580 3.176 2.286 3.449 . 0 0 "[ . 1 . 2]" 2
1358 1 43 LEU QD 1 59 CYS HB2 . . 3.770 3.140 2.684 3.580 . 0 0 "[ . 1 . 2]" 2
1359 1 43 LEU QD 1 59 CYS HB3 . . 3.780 3.410 2.800 3.780 . 0 0 "[ . 1 . 2]" 2
1360 1 43 LEU QD 1 60 PRO HD2 . . 4.670 4.233 3.707 4.576 . 0 0 "[ . 1 . 2]" 2
1361 1 43 LEU QD 1 62 CYS H . . 5.440 5.248 4.990 5.455 0.015 11 0 "[ . 1 . 2]" 2
1362 1 44 SER H 1 44 SER QB . . 2.610 2.254 2.213 2.264 . 0 0 "[ . 1 . 2]" 2
1363 1 44 SER QB 1 45 LEU H . . 4.080 3.874 3.801 3.938 . 0 0 "[ . 1 . 2]" 2
1364 1 44 SER QB 1 46 VAL H . . 4.640 4.544 4.367 4.666 0.026 13 0 "[ . 1 . 2]" 2
1365 1 44 SER QB 1 46 VAL MG1 . . 3.920 3.530 3.416 3.644 . 0 0 "[ . 1 . 2]" 2
1366 1 45 LEU HA 1 48 ARG QB . . 3.270 2.654 2.537 2.933 . 0 0 "[ . 1 . 2]" 2
1367 1 45 LEU HA 1 48 ARG QG . . 3.910 2.904 2.008 3.042 . 0 0 "[ . 1 . 2]" 2
1368 1 45 LEU HB2 1 48 ARG QB . . 5.300 4.866 4.637 5.311 0.011 16 0 "[ . 1 . 2]" 2
1369 1 45 LEU MD2 1 48 ARG QB . . 3.490 2.873 2.604 3.671 0.181 16 0 "[ . 1 . 2]" 2
1370 1 45 LEU MD2 1 48 ARG QG . . 4.340 3.993 2.566 4.216 . 0 0 "[ . 1 . 2]" 2
1371 1 46 VAL HA 1 47 GLY QA . . 4.240 3.900 3.894 3.909 . 0 0 "[ . 1 . 2]" 2
1372 1 46 VAL MG2 1 47 GLY QA . . 3.370 3.124 3.008 3.325 . 0 0 "[ . 1 . 2]" 2
1373 1 48 ARG H 1 48 ARG QB . . 2.980 2.762 2.670 2.859 . 0 0 "[ . 1 . 2]" 2
1374 1 48 ARG H 1 48 ARG QG . . 3.040 2.949 2.769 3.018 . 0 0 "[ . 1 . 2]" 2
1375 1 48 ARG QB 1 48 ARG QD . . 2.860 2.223 2.041 2.424 . 0 0 "[ . 1 . 2]" 2
1376 1 48 ARG QB 1 49 GLY HA2 . . 5.340 4.278 4.197 4.720 . 0 0 "[ . 1 . 2]" 2
1377 1 48 ARG QB 1 49 GLY HA3 . . 4.980 4.198 4.120 4.543 . 0 0 "[ . 1 . 2]" 2
1378 1 48 ARG QG 1 49 GLY H . . 4.410 3.902 2.340 4.063 . 0 0 "[ . 1 . 2]" 2
1379 1 48 ARG QG 1 50 PHE H . . 5.340 4.952 2.414 5.216 . 0 0 "[ . 1 . 2]" 2
1380 1 48 ARG QG 1 50 PHE QD . . 5.340 4.995 3.408 5.307 . 0 0 "[ . 1 . 2]" 2
1381 1 49 GLY H 1 60 PRO QG . . 3.730 3.200 2.836 3.529 . 0 0 "[ . 1 . 2]" 2
1382 1 49 GLY HA2 1 60 PRO QG . . 5.350 4.435 4.216 4.709 . 0 0 "[ . 1 . 2]" 2
1383 1 49 GLY HA3 1 60 PRO QG . . 5.210 3.244 3.022 3.555 . 0 0 "[ . 1 . 2]" 2
1384 1 50 PHE H 1 60 PRO QG . . 5.350 4.402 4.039 4.704 . 0 0 "[ . 1 . 2]" 2
1385 1 50 PHE HA 1 60 PRO QG . . 4.180 3.614 3.417 3.751 . 0 0 "[ . 1 . 2]" 2
1386 1 51 LEU MD1 1 60 PRO QG . . 4.150 3.038 2.743 3.389 . 0 0 "[ . 1 . 2]" 2
1387 1 52 THR HA 1 53 GLU QB . . 4.430 4.126 4.082 4.148 . 0 0 "[ . 1 . 2]" 2
1388 1 53 GLU HA 1 53 GLU QB . . 2.600 2.484 2.445 2.497 . 0 0 "[ . 1 . 2]" 2
1389 1 53 GLU QB 1 54 ARG H . . 4.190 3.022 2.942 3.145 . 0 0 "[ . 1 . 2]" 2
1390 1 53 GLU QB 1 56 ASP H . . 4.260 2.321 2.227 2.410 . 0 0 "[ . 1 . 2]" 2
1391 1 53 GLU QB 1 56 ASP HA . . 5.020 3.994 3.890 4.088 . 0 0 "[ . 1 . 2]" 2
1392 1 53 GLU QB 1 56 ASP HB2 . . 3.630 2.539 2.464 2.616 . 0 0 "[ . 1 . 2]" 2
1393 1 53 GLU QB 1 56 ASP HB3 . . 4.120 3.575 3.423 3.672 . 0 0 "[ . 1 . 2]" 2
1394 1 53 GLU QB 1 58 LEU MD1 . . 3.080 2.161 1.940 2.515 . 0 0 "[ . 1 . 2]" 2
1395 1 53 GLU QB 1 66 ILE MD . . 4.850 4.559 3.947 4.903 0.053 2 0 "[ . 1 . 2]" 2
1396 1 53 GLU QG 1 54 ARG QG . . 3.880 3.134 2.659 3.919 0.039 20 0 "[ . 1 . 2]" 2
1397 1 54 ARG H 1 54 ARG QG . . 3.790 2.187 1.875 2.760 . 0 0 "[ . 1 . 2]" 2
1398 1 54 ARG HA 1 54 ARG QG . . 2.910 2.482 2.238 2.924 0.014 8 0 "[ . 1 . 2]" 2
1399 1 54 ARG HA 1 54 ARG QD . . 4.110 3.566 2.037 4.101 . 0 0 "[ . 1 . 2]" 2
1400 1 54 ARG HB2 1 54 ARG QG . . 2.620 2.330 2.140 2.498 . 0 0 "[ . 1 . 2]" 2
1401 1 54 ARG HB2 1 55 ASP QB . . 4.820 3.717 3.457 4.165 . 0 0 "[ . 1 . 2]" 2
1402 1 54 ARG HB3 1 55 ASP QB . . 4.610 3.866 3.479 4.473 . 0 0 "[ . 1 . 2]" 2
1403 1 54 ARG QG 1 55 ASP H . . 4.190 3.892 3.729 4.118 . 0 0 "[ . 1 . 2]" 2
1404 1 55 ASP H 1 55 ASP QB . . 3.300 2.580 2.444 2.858 . 0 0 "[ . 1 . 2]" 2
1405 1 55 ASP QB 1 56 ASP H . . 4.370 3.790 3.739 4.035 . 0 0 "[ . 1 . 2]" 2
1406 1 59 CYS HA 1 60 PRO QG . . 4.400 3.912 3.895 3.924 . 0 0 "[ . 1 . 2]" 2
1407 1 59 CYS HB2 1 60 PRO QG . . 4.600 3.977 3.930 4.043 . 0 0 "[ . 1 . 2]" 2
1408 1 60 PRO QG 1 61 ASP H . . 4.540 3.813 3.739 3.916 . 0 0 "[ . 1 . 2]" 2
1409 1 61 ASP H 1 61 ASP QB . . 3.010 2.325 2.120 2.588 . 0 0 "[ . 1 . 2]" 2
1410 1 61 ASP HA 1 61 ASP QB . . 2.630 2.346 2.215 2.479 . 0 0 "[ . 1 . 2]" 2
1411 1 61 ASP QB 1 62 CYS H . . 2.870 2.612 2.255 2.818 . 0 0 "[ . 1 . 2]" 2
1412 1 63 GLY HA2 1 66 ILE QG . . 3.600 2.500 1.839 3.083 . 0 0 "[ . 1 . 2]" 2
1413 1 63 GLY HA3 1 66 ILE QG . . 4.530 3.891 3.219 4.531 0.001 10 0 "[ . 1 . 2]" 2
1414 1 64 LYS QG 1 65 ASP QB . . 5.340 3.836 2.798 5.526 0.186 14 0 "[ . 1 . 2]" 2
1415 1 65 ASP H 1 65 ASP QB . . 3.580 2.321 2.123 2.666 . 0 0 "[ . 1 . 2]" 2
1416 1 65 ASP H 1 66 ILE QG . . 5.090 3.964 3.196 4.544 . 0 0 "[ . 1 . 2]" 2
1417 1 65 ASP QB 1 66 ILE H . . 4.130 2.989 2.366 4.026 . 0 0 "[ . 1 . 2]" 2
1418 1 65 ASP QB 1 66 ILE QG . . 5.180 3.639 3.024 4.842 . 0 0 "[ . 1 . 2]" 2
1419 1 66 ILE H 1 66 ILE QG . . 3.270 2.135 1.874 2.758 . 0 0 "[ . 1 . 2]" 2
1420 1 66 ILE HA 1 66 ILE QG . . 3.500 2.542 2.390 2.901 . 0 0 "[ . 1 . 2]" 2
1421 1 66 ILE QG 1 66 ILE MG . . 3.130 2.250 2.063 2.391 . 0 0 "[ . 1 . 2]" 2
1422 1 67 SER H 1 67 SER QB . . 3.600 2.687 2.194 3.299 . 0 0 "[ . 1 . 2]" 2
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