NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
505940 |
1wem   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wem
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 28
_Distance_constraint_stats_list.Viol_count 183
_Distance_constraint_stats_list.Viol_total 12.102
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 19 CYS 0.057 0.011 15 0 "[ . 1 . 2]"
1 21 CYS 0.067 0.010 17 0 "[ . 1 . 2]"
1 33 CYS 0.200 0.020 6 0 "[ . 1 . 2]"
1 36 CYS 0.110 0.012 6 0 "[ . 1 . 2]"
1 41 HIS 0.037 0.006 17 0 "[ . 1 . 2]"
1 44 CYS 0.094 0.010 17 0 "[ . 1 . 2]"
1 64 CYS 0.080 0.010 5 0 "[ . 1 . 2]"
1 67 CYS 0.138 0.011 15 0 "[ . 1 . 2]"
2 1 ZN 0.151 0.011 15 0 "[ . 1 . 2]"
3 1 ZN 0.277 0.020 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 CYS SG 2 1 ZN ZN . 2.330 2.370 2.347 2.327 2.378 0.008 15 0 "[ . 1 . 2]" 1
2 1 21 CYS SG 2 1 ZN ZN . 2.330 2.370 2.331 2.320 2.346 0.010 17 0 "[ . 1 . 2]" 1
3 1 44 CYS SG 2 1 ZN ZN . 2.330 2.370 2.330 2.324 2.346 0.006 18 0 "[ . 1 . 2]" 1
4 1 41 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.345 2.325 2.374 0.005 17 0 "[ . 1 . 2]" 1
5 1 19 CYS CB 2 1 ZN ZN . 3.250 3.510 3.259 3.239 3.338 0.011 15 0 "[ . 1 . 2]" 1
6 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.492 3.359 3.514 0.004 5 0 "[ . 1 . 2]" 1
7 1 41 HIS CG 2 1 ZN ZN . 3.250 3.510 3.341 3.245 3.433 0.005 6 0 "[ . 1 . 2]" 1
8 1 44 CYS CB 2 1 ZN ZN . 3.250 3.510 3.346 3.245 3.467 0.005 17 0 "[ . 1 . 2]" 1
9 1 19 CYS SG 1 21 CYS SG . 3.200 4.000 3.667 3.335 3.890 . 0 0 "[ . 1 . 2]" 1
10 1 19 CYS SG 1 41 HIS ND1 . 3.200 4.000 3.523 3.327 3.640 . 0 0 "[ . 1 . 2]" 1
11 1 19 CYS SG 1 44 CYS SG . 3.200 4.000 3.905 3.701 4.004 0.004 18 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 41 HIS ND1 . 3.200 4.000 3.758 3.646 3.900 . 0 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 44 CYS SG . 3.200 4.000 3.999 3.989 4.010 0.010 17 0 "[ . 1 . 2]" 1
14 1 41 HIS ND1 1 44 CYS SG . 3.200 4.000 3.927 3.652 4.006 0.006 17 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.330 2.370 2.334 2.314 2.371 0.016 6 0 "[ . 1 . 2]" 1
16 1 36 CYS SG 3 1 ZN ZN . 2.330 2.370 2.330 2.321 2.354 0.009 5 0 "[ . 1 . 2]" 1
17 1 64 CYS SG 3 1 ZN ZN . 2.330 2.370 2.329 2.323 2.347 0.007 5 0 "[ . 1 . 2]" 1
18 1 67 CYS SG 3 1 ZN ZN . 2.330 2.370 2.328 2.322 2.332 0.008 5 0 "[ . 1 . 2]" 1
19 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.300 3.242 3.530 0.020 6 0 "[ . 1 . 2]" 1
20 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.446 3.297 3.512 0.002 2 0 "[ . 1 . 2]" 1
21 1 64 CYS CB 3 1 ZN ZN . 3.250 3.510 3.288 3.248 3.363 0.002 16 0 "[ . 1 . 2]" 1
22 1 67 CYS CB 3 1 ZN ZN . 3.250 3.510 3.433 3.278 3.515 0.005 6 0 "[ . 1 . 2]" 1
23 1 33 CYS SG 1 36 CYS SG . 3.200 4.000 3.841 3.527 4.012 0.012 6 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 64 CYS SG . 3.200 4.000 3.887 3.745 4.000 . 0 0 "[ . 1 . 2]" 1
25 1 33 CYS SG 1 67 CYS SG . 3.200 4.000 4.002 3.994 4.011 0.011 15 0 "[ . 1 . 2]" 1
26 1 36 CYS SG 1 64 CYS SG . 3.200 4.000 3.978 3.890 4.010 0.010 5 0 "[ . 1 . 2]" 1
27 1 36 CYS SG 1 67 CYS SG . 3.200 4.000 3.490 3.193 3.671 0.007 6 0 "[ . 1 . 2]" 1
28 1 64 CYS SG 1 67 CYS SG . 3.200 4.000 3.530 3.379 3.664 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1161
_Distance_constraint_stats_list.Viol_count 515
_Distance_constraint_stats_list.Viol_total 212.867
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0054
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0207
_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 GLU 0.016 0.016 18 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.003 0.003 3 0 "[ . 1 . 2]"
1 11 VAL 0.381 0.139 10 0 "[ . 1 . 2]"
1 12 TYR 0.388 0.139 10 0 "[ . 1 . 2]"
1 13 ASP 0.019 0.008 7 0 "[ . 1 . 2]"
1 14 PRO 0.003 0.003 8 0 "[ . 1 . 2]"
1 15 ASN 0.109 0.062 8 0 "[ . 1 . 2]"
1 16 ALA 0.160 0.062 8 0 "[ . 1 . 2]"
1 17 LEU 0.050 0.024 2 0 "[ . 1 . 2]"
1 18 TYR 0.132 0.020 15 0 "[ . 1 . 2]"
1 19 CYS 0.296 0.046 15 0 "[ . 1 . 2]"
1 20 ILE 0.159 0.024 8 0 "[ . 1 . 2]"
1 21 CYS 0.071 0.024 8 0 "[ . 1 . 2]"
1 22 ARG 0.051 0.017 8 0 "[ . 1 . 2]"
1 23 GLN 0.053 0.016 11 0 "[ . 1 . 2]"
1 24 PRO 0.025 0.010 13 0 "[ . 1 . 2]"
1 25 HIS 0.078 0.012 17 0 "[ . 1 . 2]"
1 26 ASN 0.068 0.037 16 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.171 0.049 20 0 "[ . 1 . 2]"
1 29 PHE 0.087 0.022 20 0 "[ . 1 . 2]"
1 30 MET 0.061 0.026 6 0 "[ . 1 . 2]"
1 31 ILE 0.220 0.043 19 0 "[ . 1 . 2]"
1 32 CYS 0.092 0.031 9 0 "[ . 1 . 2]"
1 33 CYS 0.234 0.063 6 0 "[ . 1 . 2]"
1 34 ASP 0.057 0.035 19 0 "[ . 1 . 2]"
1 35 ARG 0.275 0.038 6 0 "[ . 1 . 2]"
1 36 CYS 0.004 0.004 11 0 "[ . 1 . 2]"
1 37 GLU 0.008 0.008 1 0 "[ . 1 . 2]"
1 38 GLU 0.148 0.063 6 0 "[ . 1 . 2]"
1 39 TRP 0.237 0.029 2 0 "[ . 1 . 2]"
1 40 PHE 0.585 0.046 15 0 "[ . 1 . 2]"
1 41 HIS 0.055 0.022 15 0 "[ . 1 . 2]"
1 42 GLY 0.037 0.010 15 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.011 0.004 17 0 "[ . 1 . 2]"
1 45 VAL 0.037 0.023 15 0 "[ . 1 . 2]"
1 46 GLY 0.160 0.035 9 0 "[ . 1 . 2]"
1 47 ILE 0.852 0.048 17 0 "[ . 1 . 2]"
1 48 SER 0.116 0.015 11 0 "[ . 1 . 2]"
1 49 GLU 0.096 0.022 20 0 "[ . 1 . 2]"
1 50 ALA 0.076 0.020 8 0 "[ . 1 . 2]"
1 51 ARG 2.427 0.168 12 0 "[ . 1 . 2]"
1 52 GLY 0.082 0.020 8 0 "[ . 1 . 2]"
1 53 ARG 0.973 0.196 7 0 "[ . 1 . 2]"
1 54 LEU 0.386 0.078 4 0 "[ . 1 . 2]"
1 55 LEU 0.497 0.078 4 0 "[ . 1 . 2]"
1 56 GLU 0.406 0.041 16 0 "[ . 1 . 2]"
1 57 ARG 0.075 0.016 4 0 "[ . 1 . 2]"
1 58 ASN 0.044 0.018 6 0 "[ . 1 . 2]"
1 59 GLY 0.019 0.012 4 0 "[ . 1 . 2]"
1 60 GLU 0.076 0.024 19 0 "[ . 1 . 2]"
1 61 ASP 0.016 0.008 20 0 "[ . 1 . 2]"
1 62 TYR 0.147 0.041 19 0 "[ . 1 . 2]"
1 63 ILE 0.472 0.030 19 0 "[ . 1 . 2]"
1 64 CYS 0.781 0.048 17 0 "[ . 1 . 2]"
1 65 PRO 0.876 0.056 7 0 "[ . 1 . 2]"
1 66 ASN 1.254 0.103 15 0 "[ . 1 . 2]"
1 67 CYS 0.618 0.043 18 0 "[ . 1 . 2]"
1 68 THR 0.732 0.056 7 0 "[ . 1 . 2]"
1 69 ILE 1.402 0.108 18 0 "[ . 1 . 2]"
1 70 LEU 0.129 0.043 18 0 "[ . 1 . 2]"
1 71 SER 0.006 0.005 2 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 63 ILE HA 1 64 CYS H . . 3.120 2.221 2.157 2.292 . 0 0 "[ . 1 . 2]" 2
2 1 33 CYS HB2 1 64 CYS H . . 3.890 3.607 3.202 3.791 . 0 0 "[ . 1 . 2]" 2
3 1 64 CYS H 1 64 CYS HB2 . . 4.010 3.471 3.455 3.488 . 0 0 "[ . 1 . 2]" 2
4 1 64 CYS H 1 64 CYS HB3 . . 3.610 2.167 2.144 2.182 . 0 0 "[ . 1 . 2]" 2
5 1 63 ILE MG 1 64 CYS H . . 3.840 3.186 2.886 3.382 . 0 0 "[ . 1 . 2]" 2
6 1 32 CYS HA 1 33 CYS H . . 3.110 2.164 2.139 2.244 . 0 0 "[ . 1 . 2]" 2
7 1 33 CYS H 1 33 CYS HB2 . . 3.630 2.405 2.275 2.502 . 0 0 "[ . 1 . 2]" 2
8 1 29 PHE HA 1 30 MET H . . 3.180 2.222 2.142 2.319 . 0 0 "[ . 1 . 2]" 2
9 1 30 MET H 1 30 MET QG . . 4.090 3.181 2.488 3.420 . 0 0 "[ . 1 . 2]" 2
10 1 31 ILE HA 1 32 CYS H . . 3.100 2.325 2.268 2.378 . 0 0 "[ . 1 . 2]" 2
11 1 32 CYS H 1 32 CYS HB2 . . 3.780 2.865 2.299 3.690 . 0 0 "[ . 1 . 2]" 2
12 1 31 ILE HG12 1 32 CYS H . . 3.830 3.533 3.272 3.709 . 0 0 "[ . 1 . 2]" 2
13 1 31 ILE HG13 1 32 CYS H . . 4.650 4.516 4.245 4.681 0.031 9 0 "[ . 1 . 2]" 2
14 1 32 CYS H 1 32 CYS HB3 . . 3.780 2.739 2.452 3.514 . 0 0 "[ . 1 . 2]" 2
15 1 62 TYR HA 1 63 ILE H . . 2.930 2.214 2.138 2.656 . 0 0 "[ . 1 . 2]" 2
16 1 63 ILE H 1 63 ILE HG12 . . 3.990 2.671 2.098 3.014 . 0 0 "[ . 1 . 2]" 2
17 1 20 ILE H 1 20 ILE HG12 . . 3.850 2.009 1.920 2.109 . 0 0 "[ . 1 . 2]" 2
18 1 20 ILE H 1 40 PHE QD . . 3.410 1.962 1.889 2.559 . 0 0 "[ . 1 . 2]" 2
19 1 66 ASN H 1 67 CYS H . . 3.190 2.884 2.855 2.911 . 0 0 "[ . 1 . 2]" 2
20 1 67 CYS H 1 68 THR H . . 3.350 2.804 2.620 2.868 . 0 0 "[ . 1 . 2]" 2
21 1 66 ASN HB2 1 67 CYS H . . 4.130 3.682 2.856 4.157 0.027 5 0 "[ . 1 . 2]" 2
22 1 67 CYS H 1 67 CYS HB2 . . 3.190 2.185 2.159 2.226 . 0 0 "[ . 1 . 2]" 2
23 1 67 CYS H 1 67 CYS HB3 . . 3.810 3.489 3.464 3.522 . 0 0 "[ . 1 . 2]" 2
24 1 10 GLU H 1 10 GLU QB . . 3.890 2.715 2.181 3.304 . 0 0 "[ . 1 . 2]" 2
25 1 15 ASN H 1 16 ALA H . . 3.010 2.552 2.017 3.013 0.003 14 0 "[ . 1 . 2]" 2
26 1 16 ALA H 1 16 ALA MB . . 3.020 2.186 2.045 2.379 . 0 0 "[ . 1 . 2]" 2
27 1 13 ASP HB2 1 16 ALA H . . 4.360 3.350 2.358 4.340 . 0 0 "[ . 1 . 2]" 2
28 1 15 ASN HB2 1 16 ALA H . . 4.720 3.478 2.558 4.330 . 0 0 "[ . 1 . 2]" 2
29 1 61 ASP HA 1 62 TYR H . . 3.420 2.168 2.140 2.206 . 0 0 "[ . 1 . 2]" 2
30 1 11 VAL HA 1 12 TYR H . . 3.480 2.855 2.141 3.542 0.062 12 0 "[ . 1 . 2]" 2
31 1 12 TYR H 1 12 TYR HB3 . . 3.780 3.265 2.310 3.791 0.011 18 0 "[ . 1 . 2]" 2
32 1 48 SER HA 1 49 GLU H . . 3.220 2.314 2.226 2.412 . 0 0 "[ . 1 . 2]" 2
33 1 48 SER HB2 1 49 GLU H . . 4.070 3.545 2.446 4.074 0.004 18 0 "[ . 1 . 2]" 2
34 1 48 SER HB3 1 49 GLU H . . 4.070 3.246 2.600 4.078 0.008 6 0 "[ . 1 . 2]" 2
35 1 49 GLU H 1 49 GLU QG . . 4.070 3.853 3.749 3.987 . 0 0 "[ . 1 . 2]" 2
36 1 49 GLU H 1 49 GLU HB3 . . 3.450 2.906 2.759 3.033 . 0 0 "[ . 1 . 2]" 2
37 1 49 GLU H 1 49 GLU HB2 . . 3.420 2.232 2.156 2.324 . 0 0 "[ . 1 . 2]" 2
38 1 40 PHE HA 1 41 HIS H . . 3.260 2.432 2.293 2.562 . 0 0 "[ . 1 . 2]" 2
39 1 53 ARG H 1 54 LEU H . . 3.140 2.954 2.753 3.125 . 0 0 "[ . 1 . 2]" 2
40 1 54 LEU H 1 55 LEU H . . 3.160 2.655 2.320 2.894 . 0 0 "[ . 1 . 2]" 2
41 1 53 ARG HB3 1 54 LEU H . . 3.260 3.205 2.944 3.296 0.036 17 0 "[ . 1 . 2]" 2
42 1 54 LEU H 1 54 LEU HG . . 3.080 2.781 2.243 3.068 . 0 0 "[ . 1 . 2]" 2
43 1 46 GLY H 1 47 ILE H . . 3.380 3.269 2.826 3.415 0.035 9 0 "[ . 1 . 2]" 2
44 1 47 ILE H 1 47 ILE HB . . 3.430 2.665 2.571 2.718 . 0 0 "[ . 1 . 2]" 2
45 1 42 GLY HA2 1 47 ILE H . . 4.180 3.866 3.657 4.048 . 0 0 "[ . 1 . 2]" 2
46 1 45 VAL MG2 1 47 ILE H . . 3.410 2.286 1.910 2.654 . 0 0 "[ . 1 . 2]" 2
47 1 69 ILE HB 1 70 LEU H . . 3.720 2.703 2.524 3.005 . 0 0 "[ . 1 . 2]" 2
48 1 70 LEU H 1 70 LEU HG . . 2.950 2.430 2.240 2.588 . 0 0 "[ . 1 . 2]" 2
49 1 70 LEU H 1 70 LEU HB2 . . 3.630 2.448 2.379 2.530 . 0 0 "[ . 1 . 2]" 2
50 1 69 ILE MG 1 70 LEU H . . 3.950 3.265 3.050 3.496 . 0 0 "[ . 1 . 2]" 2
51 1 70 LEU H 1 70 LEU MD1 . . 4.450 3.480 3.098 3.725 . 0 0 "[ . 1 . 2]" 2
52 1 70 LEU H 1 70 LEU MD2 . . 4.530 3.669 3.533 3.863 . 0 0 "[ . 1 . 2]" 2
53 1 47 ILE HA 1 48 SER H . . 2.720 2.195 2.141 2.281 . 0 0 "[ . 1 . 2]" 2
54 1 48 SER H 1 48 SER HB2 . . 3.680 2.903 2.317 3.694 0.014 16 0 "[ . 1 . 2]" 2
55 1 48 SER H 1 48 SER HB3 . . 3.680 3.208 2.435 3.675 . 0 0 "[ . 1 . 2]" 2
56 1 48 SER H 1 51 ARG HB2 . . 3.600 2.285 1.890 2.812 . 0 0 "[ . 1 . 2]" 2
57 1 48 SER H 1 51 ARG HB3 . . 3.860 2.618 1.885 3.760 . 0 0 "[ . 1 . 2]" 2
58 1 47 ILE MG 1 48 SER H . . 3.800 2.277 1.879 2.735 . 0 0 "[ . 1 . 2]" 2
59 1 39 TRP H 1 39 TRP HD1 . . 4.150 3.281 2.858 3.719 . 0 0 "[ . 1 . 2]" 2
60 1 38 GLU HA 1 39 TRP H . . 3.210 2.464 2.251 2.611 . 0 0 "[ . 1 . 2]" 2
61 1 39 TRP H 1 39 TRP HB2 . . 3.730 2.432 2.331 2.536 . 0 0 "[ . 1 . 2]" 2
62 1 38 GLU HB3 1 39 TRP H . . 3.470 2.347 2.035 2.925 . 0 0 "[ . 1 . 2]" 2
63 1 35 ARG H 1 35 ARG HB2 . . 3.780 2.255 2.175 2.692 . 0 0 "[ . 1 . 2]" 2
64 1 35 ARG H 1 35 ARG HB3 . . 3.780 3.488 2.932 3.556 . 0 0 "[ . 1 . 2]" 2
65 1 11 VAL H 1 11 VAL HB . . 3.790 3.116 2.495 3.751 . 0 0 "[ . 1 . 2]" 2
66 1 11 VAL H 1 11 VAL MG1 . . 4.290 2.787 1.882 3.849 . 0 0 "[ . 1 . 2]" 2
67 1 68 THR H 1 69 ILE H . . 3.510 2.828 2.779 2.886 . 0 0 "[ . 1 . 2]" 2
68 1 69 ILE H 1 70 LEU H . . 3.380 2.946 2.847 3.037 . 0 0 "[ . 1 . 2]" 2
69 1 68 THR HB 1 69 ILE H . . 3.390 2.427 2.108 2.728 . 0 0 "[ . 1 . 2]" 2
70 1 69 ILE H 1 69 ILE HB . . 3.140 2.554 2.449 2.645 . 0 0 "[ . 1 . 2]" 2
71 1 69 ILE H 1 69 ILE HG12 . . 3.630 3.460 3.244 3.738 0.108 18 0 "[ . 1 . 2]" 2
72 1 69 ILE H 1 69 ILE HG13 . . 3.630 2.196 1.984 3.467 . 0 0 "[ . 1 . 2]" 2
73 1 68 THR MG 1 69 ILE H . . 3.690 3.501 3.362 3.608 . 0 0 "[ . 1 . 2]" 2
74 1 69 ILE H 1 69 ILE MD . . 4.370 3.430 1.750 3.747 . 0 0 "[ . 1 . 2]" 2
75 1 52 GLY HA3 1 53 ARG H . . 3.530 2.705 2.560 2.936 . 0 0 "[ . 1 . 2]" 2
76 1 59 GLY QA 1 60 GLU H . . 3.370 2.723 2.592 2.809 . 0 0 "[ . 1 . 2]" 2
77 1 60 GLU H 1 60 GLU QG . . 3.500 3.032 2.700 3.380 . 0 0 "[ . 1 . 2]" 2
78 1 33 CYS HB3 1 38 GLU H . . 4.030 2.198 1.995 2.581 . 0 0 "[ . 1 . 2]" 2
79 1 38 GLU H 1 38 GLU HB2 . . 3.350 2.473 2.409 2.554 . 0 0 "[ . 1 . 2]" 2
80 1 38 GLU H 1 38 GLU HG3 . . 4.640 3.943 3.372 4.533 . 0 0 "[ . 1 . 2]" 2
81 1 51 ARG H 1 52 GLY H . . 3.590 2.963 2.750 3.168 . 0 0 "[ . 1 . 2]" 2
82 1 51 ARG H 1 51 ARG HB3 . . 3.300 3.133 2.594 3.468 0.168 12 0 "[ . 1 . 2]" 2
83 1 55 LEU HA 1 60 GLU H . . 3.800 3.226 2.711 3.738 . 0 0 "[ . 1 . 2]" 2
84 1 60 GLU H 1 60 GLU HB2 . . 3.260 2.355 2.283 2.462 . 0 0 "[ . 1 . 2]" 2
85 1 54 LEU HB2 1 55 LEU H . . 3.430 2.474 2.260 2.675 . 0 0 "[ . 1 . 2]" 2
86 1 49 GLU HB3 1 50 ALA H . . 3.190 2.460 2.089 2.819 . 0 0 "[ . 1 . 2]" 2
87 1 55 LEU H 1 55 LEU MD1 . . 4.300 3.606 3.240 4.237 . 0 0 "[ . 1 . 2]" 2
88 1 28 ARG H 1 28 ARG HB3 . . 4.150 3.630 3.602 3.733 . 0 0 "[ . 1 . 2]" 2
89 1 28 ARG H 1 28 ARG HG2 . . 3.720 3.489 3.055 3.769 0.049 20 0 "[ . 1 . 2]" 2
90 1 49 GLU H 1 50 ALA H . . 3.650 2.961 2.726 3.145 . 0 0 "[ . 1 . 2]" 2
91 1 49 GLU HB2 1 50 ALA H . . 3.690 3.590 3.447 3.696 0.006 4 0 "[ . 1 . 2]" 2
92 1 50 ALA H 1 50 ALA MB . . 3.010 2.117 2.030 2.248 . 0 0 "[ . 1 . 2]" 2
93 1 44 CYS H 1 45 VAL H . . 3.390 2.936 2.744 3.076 . 0 0 "[ . 1 . 2]" 2
94 1 44 CYS H 1 44 CYS HB2 . . 3.280 2.288 2.205 2.424 . 0 0 "[ . 1 . 2]" 2
95 1 17 LEU HB3 1 18 TYR H . . 4.000 3.251 2.491 3.642 . 0 0 "[ . 1 . 2]" 2
96 1 17 LEU MD2 1 18 TYR H . . 4.460 3.777 3.415 4.140 . 0 0 "[ . 1 . 2]" 2
97 1 22 ARG H 1 22 ARG HD2 . . 3.980 3.026 2.207 3.926 . 0 0 "[ . 1 . 2]" 2
98 1 22 ARG H 1 22 ARG HG3 . . 4.810 3.886 3.328 4.346 . 0 0 "[ . 1 . 2]" 2
99 1 35 ARG HB3 1 36 CYS H . . 3.570 2.941 2.381 3.574 0.004 11 0 "[ . 1 . 2]" 2
100 1 30 MET HA 1 31 ILE H . . 3.240 2.327 2.204 2.447 . 0 0 "[ . 1 . 2]" 2
101 1 20 ILE H 1 21 CYS H . . 3.310 2.544 2.454 2.640 . 0 0 "[ . 1 . 2]" 2
102 1 21 CYS H 1 22 ARG H . . 2.800 2.690 2.617 2.797 . 0 0 "[ . 1 . 2]" 2
103 1 19 CYS HB3 1 21 CYS H . . 3.590 2.815 2.597 3.174 . 0 0 "[ . 1 . 2]" 2
104 1 21 CYS H 1 21 CYS HB2 . . 3.720 3.616 3.600 3.626 . 0 0 "[ . 1 . 2]" 2
105 1 21 CYS H 1 21 CYS HB3 . . 3.500 2.650 2.573 2.697 . 0 0 "[ . 1 . 2]" 2
106 1 56 GLU H 1 57 ARG H . . 3.390 2.851 2.741 3.103 . 0 0 "[ . 1 . 2]" 2
107 1 56 GLU H 1 56 GLU HB2 . . 3.440 2.368 2.174 3.462 0.022 17 0 "[ . 1 . 2]" 2
108 1 56 GLU H 1 56 GLU HB3 . . 3.440 3.029 2.528 3.481 0.041 16 0 "[ . 1 . 2]" 2
109 1 55 LEU H 1 56 GLU H . . 3.450 2.894 2.717 2.996 . 0 0 "[ . 1 . 2]" 2
110 1 55 LEU HB2 1 56 GLU H . . 4.140 3.173 2.747 4.143 0.003 2 0 "[ . 1 . 2]" 2
111 1 17 LEU H 1 17 LEU HB2 . . 3.350 2.767 2.576 2.864 . 0 0 "[ . 1 . 2]" 2
112 1 40 PHE H 1 40 PHE QD . . 3.840 3.032 2.774 3.553 . 0 0 "[ . 1 . 2]" 2
113 1 23 GLN H 1 23 GLN HB2 . . 3.440 2.633 2.538 2.705 . 0 0 "[ . 1 . 2]" 2
114 1 22 ARG H 1 23 GLN H . . 3.460 2.918 2.806 3.013 . 0 0 "[ . 1 . 2]" 2
115 1 22 ARG HA 1 23 GLN H . . 3.270 2.641 2.616 2.707 . 0 0 "[ . 1 . 2]" 2
116 1 23 GLN H 1 23 GLN QG . . 3.860 3.108 2.863 3.254 . 0 0 "[ . 1 . 2]" 2
117 1 68 THR H 1 68 THR HB . . 3.150 2.685 2.547 2.765 . 0 0 "[ . 1 . 2]" 2
118 1 63 ILE MG 1 68 THR H . . 3.970 3.093 2.758 3.336 . 0 0 "[ . 1 . 2]" 2
119 1 37 GLU H 1 38 GLU H . . 3.810 2.840 2.595 2.979 . 0 0 "[ . 1 . 2]" 2
120 1 19 CYS H 1 19 CYS HB3 . . 3.580 2.688 2.543 2.867 . 0 0 "[ . 1 . 2]" 2
121 1 18 TYR HB3 1 19 CYS H . . 3.500 2.828 2.607 3.017 . 0 0 "[ . 1 . 2]" 2
122 1 18 TYR HB2 1 19 CYS H . . 3.750 2.222 2.003 2.378 . 0 0 "[ . 1 . 2]" 2
123 1 30 MET HA 1 42 GLY H . . 3.670 3.064 2.599 3.371 . 0 0 "[ . 1 . 2]" 2
124 1 41 HIS HA 1 42 GLY H . . 3.220 2.153 2.144 2.170 . 0 0 "[ . 1 . 2]" 2
125 1 71 SER H 1 71 SER HB2 . . 3.990 3.070 2.344 3.875 . 0 0 "[ . 1 . 2]" 2
126 1 71 SER H 1 71 SER HB3 . . 3.990 2.750 2.356 3.200 . 0 0 "[ . 1 . 2]" 2
127 1 70 LEU HB3 1 71 SER H . . 4.160 3.292 2.842 3.625 . 0 0 "[ . 1 . 2]" 2
128 1 45 VAL H 1 46 GLY H . . 3.320 2.609 2.276 2.850 . 0 0 "[ . 1 . 2]" 2
129 1 45 VAL MG2 1 46 GLY H . . 4.030 2.993 1.981 3.415 . 0 0 "[ . 1 . 2]" 2
130 1 52 GLY H 1 53 ARG H . . 3.580 2.825 2.542 2.996 . 0 0 "[ . 1 . 2]" 2
131 1 52 GLY H 1 52 GLY HA2 . . 2.950 2.800 2.723 2.918 . 0 0 "[ . 1 . 2]" 2
132 1 51 ARG HB2 1 52 GLY H . . 3.790 3.111 2.464 3.697 . 0 0 "[ . 1 . 2]" 2
133 1 51 ARG HB3 1 52 GLY H . . 3.920 2.469 2.068 2.785 . 0 0 "[ . 1 . 2]" 2
134 1 47 ILE MG 1 52 GLY H . . 3.860 2.567 2.133 3.124 . 0 0 "[ . 1 . 2]" 2
135 1 44 CYS HB2 1 45 VAL H . . 3.930 2.549 2.270 2.816 . 0 0 "[ . 1 . 2]" 2
136 1 45 VAL H 1 45 VAL MG2 . . 3.150 1.908 1.861 2.218 . 0 0 "[ . 1 . 2]" 2
137 1 10 GLU H 1 10 GLU QG . . 4.600 3.151 2.167 4.316 . 0 0 "[ . 1 . 2]" 2
138 1 9 CYS HB3 1 10 GLU H . . 4.880 3.894 1.936 4.638 . 0 0 "[ . 1 . 2]" 2
139 1 6 SER QB 1 7 GLY H . . 4.190 3.088 2.190 3.869 . 0 0 "[ . 1 . 2]" 2
140 1 10 GLU QB 1 11 VAL H . . 3.510 2.656 2.048 3.513 0.003 3 0 "[ . 1 . 2]" 2
141 1 10 GLU H 1 11 VAL H . . 4.690 4.459 4.311 4.645 . 0 0 "[ . 1 . 2]" 2
142 1 11 VAL MG2 1 12 TYR H . . 4.860 3.663 2.439 4.286 . 0 0 "[ . 1 . 2]" 2
143 1 12 TYR H 1 12 TYR HB2 . . 3.780 2.734 2.219 3.763 . 0 0 "[ . 1 . 2]" 2
144 1 12 TYR H 1 12 TYR QD . . 4.580 3.087 2.007 4.361 . 0 0 "[ . 1 . 2]" 2
145 1 11 VAL H 1 12 TYR H . . 3.960 3.126 1.800 3.964 0.004 4 0 "[ . 1 . 2]" 2
146 1 12 TYR H 1 13 ASP H . . 4.630 3.405 1.968 4.586 . 0 0 "[ . 1 . 2]" 2
147 1 15 ASN H 1 15 ASN HD21 . . 4.730 3.233 1.935 4.540 . 0 0 "[ . 1 . 2]" 2
148 1 14 PRO HD2 1 15 ASN H . . 4.550 2.717 2.647 3.025 . 0 0 "[ . 1 . 2]" 2
149 1 14 PRO HD3 1 15 ASN H . . 4.550 3.873 3.836 4.041 . 0 0 "[ . 1 . 2]" 2
150 1 15 ASN H 1 15 ASN HB2 . . 3.940 2.912 2.255 3.633 . 0 0 "[ . 1 . 2]" 2
151 1 13 ASP HB3 1 16 ALA H . . 4.360 2.988 2.144 4.101 . 0 0 "[ . 1 . 2]" 2
152 1 16 ALA H 1 17 LEU H . . 4.610 4.343 4.133 4.634 0.024 2 0 "[ . 1 . 2]" 2
153 1 17 LEU HB2 1 18 TYR H . . 4.690 4.078 3.639 4.290 . 0 0 "[ . 1 . 2]" 2
154 1 18 TYR H 1 24 PRO HA . . 4.460 4.029 3.512 4.463 0.003 4 0 "[ . 1 . 2]" 2
155 1 18 TYR H 1 18 TYR QD . . 4.250 3.538 3.224 3.872 . 0 0 "[ . 1 . 2]" 2
156 1 19 CYS H 1 40 PHE HA . . 4.240 4.095 3.702 4.269 0.029 6 0 "[ . 1 . 2]" 2
157 1 18 TYR QD 1 19 CYS H . . 4.270 4.158 3.960 4.252 . 0 0 "[ . 1 . 2]" 2
158 1 19 CYS HB3 1 20 ILE H . . 4.550 3.403 3.131 3.625 . 0 0 "[ . 1 . 2]" 2
159 1 20 ILE MG 1 21 CYS H . . 4.980 4.067 4.017 4.134 . 0 0 "[ . 1 . 2]" 2
160 1 19 CYS HA 1 21 CYS H . . 4.440 4.135 4.018 4.200 . 0 0 "[ . 1 . 2]" 2
161 1 17 LEU HB3 1 22 ARG H . . 5.270 4.341 3.936 4.858 . 0 0 "[ . 1 . 2]" 2
162 1 17 LEU MD2 1 22 ARG H . . 5.500 4.471 3.978 5.101 . 0 0 "[ . 1 . 2]" 2
163 1 19 CYS HB3 1 22 ARG H . . 4.470 3.684 3.448 4.088 . 0 0 "[ . 1 . 2]" 2
164 1 17 LEU HB3 1 23 GLN H . . 4.890 4.105 3.712 4.627 . 0 0 "[ . 1 . 2]" 2
165 1 17 LEU MD2 1 23 GLN H . . 5.110 3.557 3.166 4.035 . 0 0 "[ . 1 . 2]" 2
166 1 21 CYS HB2 1 23 GLN H . . 5.180 4.872 4.690 5.047 . 0 0 "[ . 1 . 2]" 2
167 1 28 ARG H 1 28 ARG HG3 . . 3.720 2.194 1.896 2.696 . 0 0 "[ . 1 . 2]" 2
168 1 28 ARG HB3 1 29 PHE H . . 4.040 2.759 2.344 3.044 . 0 0 "[ . 1 . 2]" 2
169 1 28 ARG HG3 1 29 PHE H . . 5.240 4.765 4.221 5.045 . 0 0 "[ . 1 . 2]" 2
170 1 28 ARG HB2 1 29 PHE H . . 4.040 3.847 3.402 4.035 . 0 0 "[ . 1 . 2]" 2
171 1 29 PHE H 1 29 PHE HB3 . . 3.360 2.404 2.302 2.512 . 0 0 "[ . 1 . 2]" 2
172 1 29 PHE H 1 29 PHE HB2 . . 3.360 2.704 2.555 3.034 . 0 0 "[ . 1 . 2]" 2
173 1 28 ARG HA 1 29 PHE H . . 2.970 2.284 2.195 2.458 . 0 0 "[ . 1 . 2]" 2
174 1 29 PHE H 1 29 PHE QD . . 4.280 4.150 3.967 4.185 . 0 0 "[ . 1 . 2]" 2
175 1 29 PHE QD 1 30 MET H . . 4.040 2.902 2.314 4.036 . 0 0 "[ . 1 . 2]" 2
176 1 30 MET H 1 31 ILE H . . 5.310 4.432 4.354 4.535 . 0 0 "[ . 1 . 2]" 2
177 1 31 ILE H 1 32 CYS H . . 5.500 4.416 4.373 4.486 . 0 0 "[ . 1 . 2]" 2
178 1 29 PHE HB3 1 30 MET H . . 4.920 4.090 3.837 4.523 . 0 0 "[ . 1 . 2]" 2
179 1 29 PHE HB2 1 30 MET H . . 4.920 4.013 3.837 4.401 . 0 0 "[ . 1 . 2]" 2
180 1 30 MET QG 1 31 ILE H . . 5.220 4.009 3.590 4.340 . 0 0 "[ . 1 . 2]" 2
181 1 31 ILE H 1 39 TRP HB3 . . 4.770 4.599 4.286 4.776 0.006 19 0 "[ . 1 . 2]" 2
182 1 31 ILE MD 1 32 CYS H . . 5.160 4.438 4.113 4.651 . 0 0 "[ . 1 . 2]" 2
183 1 31 ILE MG 1 32 CYS H . . 4.120 3.891 3.815 3.981 . 0 0 "[ . 1 . 2]" 2
184 1 31 ILE HB 1 32 CYS H . . 4.370 2.619 2.488 2.764 . 0 0 "[ . 1 . 2]" 2
185 1 32 CYS H 1 39 TRP HZ3 . . 4.630 3.304 2.591 3.691 . 0 0 "[ . 1 . 2]" 2
186 1 32 CYS H 1 62 TYR QD . . 5.170 4.476 3.882 5.063 . 0 0 "[ . 1 . 2]" 2
187 1 32 CYS H 1 39 TRP HE3 . . 5.090 4.397 3.598 4.773 . 0 0 "[ . 1 . 2]" 2
188 1 33 CYS H 1 40 PHE QD . . 4.750 4.092 3.435 4.701 . 0 0 "[ . 1 . 2]" 2
189 1 33 CYS H 1 40 PHE QE . . 4.410 3.994 3.584 4.292 . 0 0 "[ . 1 . 2]" 2
190 1 32 CYS HB2 1 33 CYS H . . 5.500 4.301 3.461 4.616 . 0 0 "[ . 1 . 2]" 2
191 1 33 CYS H 1 64 CYS HB3 . . 5.170 4.969 4.635 5.171 0.001 15 0 "[ . 1 . 2]" 2
192 1 34 ASP H 1 63 ILE MG . . 5.360 4.584 4.302 5.079 . 0 0 "[ . 1 . 2]" 2
193 1 35 ARG H 1 35 ARG QG . . 4.110 3.010 2.741 4.125 0.015 19 0 "[ . 1 . 2]" 2
194 1 35 ARG QG 1 36 CYS H . . 4.700 4.157 4.030 4.367 . 0 0 "[ . 1 . 2]" 2
195 1 35 ARG HB2 1 36 CYS H . . 3.570 2.533 2.292 3.429 . 0 0 "[ . 1 . 2]" 2
196 1 36 CYS H 1 36 CYS HB3 . . 4.100 2.933 2.693 3.676 . 0 0 "[ . 1 . 2]" 2
197 1 36 CYS H 1 36 CYS HB2 . . 4.100 3.484 2.458 3.708 . 0 0 "[ . 1 . 2]" 2
198 1 33 CYS HB3 1 36 CYS H . . 4.240 3.001 2.448 3.334 . 0 0 "[ . 1 . 2]" 2
199 1 36 CYS H 1 37 GLU H . . 3.410 2.213 2.033 2.390 . 0 0 "[ . 1 . 2]" 2
200 1 35 ARG H 1 36 CYS H . . 3.320 2.583 2.156 2.830 . 0 0 "[ . 1 . 2]" 2
201 1 37 GLU H 1 37 GLU HG3 . . 3.940 2.885 2.556 3.223 . 0 0 "[ . 1 . 2]" 2
202 1 37 GLU H 1 37 GLU HG2 . . 4.100 3.575 3.163 3.992 . 0 0 "[ . 1 . 2]" 2
203 1 35 ARG H 1 37 GLU H . . 4.560 3.264 2.696 3.480 . 0 0 "[ . 1 . 2]" 2
204 1 33 CYS HB2 1 38 GLU H . . 4.760 3.160 2.804 3.958 . 0 0 "[ . 1 . 2]" 2
205 1 38 GLU H 1 40 PHE QE . . 4.750 3.129 2.826 3.734 . 0 0 "[ . 1 . 2]" 2
206 1 33 CYS H 1 38 GLU H . . 4.620 2.966 2.735 3.380 . 0 0 "[ . 1 . 2]" 2
207 1 39 TRP H 1 39 TRP HB3 . . 3.860 3.650 3.590 3.718 . 0 0 "[ . 1 . 2]" 2
208 1 39 TRP H 1 39 TRP HE3 . . 5.500 5.310 5.097 5.529 0.029 2 0 "[ . 1 . 2]" 2
209 1 18 TYR QD 1 39 TRP H . . 4.330 3.406 2.915 3.616 . 0 0 "[ . 1 . 2]" 2
210 1 39 TRP HB3 1 40 PHE H . . 4.040 3.539 3.301 3.680 . 0 0 "[ . 1 . 2]" 2
211 1 41 HIS H 1 45 VAL MG2 . . 4.650 3.949 3.643 4.182 . 0 0 "[ . 1 . 2]" 2
212 1 41 HIS H 1 44 CYS HB2 . . 3.930 2.628 2.483 2.930 . 0 0 "[ . 1 . 2]" 2
213 1 19 CYS HA 1 41 HIS H . . 4.830 4.273 3.776 4.477 . 0 0 "[ . 1 . 2]" 2
214 1 19 CYS HB3 1 41 HIS H . . 4.490 4.394 4.000 4.512 0.022 15 0 "[ . 1 . 2]" 2
215 1 40 PHE QD 1 41 HIS H . . 4.540 3.990 3.622 4.210 . 0 0 "[ . 1 . 2]" 2
216 1 41 HIS H 1 44 CYS H . . 4.710 4.325 4.003 4.605 . 0 0 "[ . 1 . 2]" 2
217 1 30 MET QG 1 42 GLY H . . 4.760 3.975 3.398 4.763 0.003 8 0 "[ . 1 . 2]" 2
218 1 41 HIS HB3 1 42 GLY H . . 4.990 3.343 3.190 3.474 . 0 0 "[ . 1 . 2]" 2
219 1 29 PHE QD 1 42 GLY H . . 4.140 3.335 2.507 4.075 . 0 0 "[ . 1 . 2]" 2
220 1 44 CYS H 1 45 VAL MG2 . . 4.130 4.045 3.837 4.126 . 0 0 "[ . 1 . 2]" 2
221 1 43 ASP HB3 1 44 CYS H . . 4.210 2.890 2.223 3.911 . 0 0 "[ . 1 . 2]" 2
222 1 43 ASP HB2 1 44 CYS H . . 4.210 3.226 2.314 3.897 . 0 0 "[ . 1 . 2]" 2
223 1 43 ASP H 1 44 CYS H . . 3.650 2.850 2.593 2.984 . 0 0 "[ . 1 . 2]" 2
224 1 42 GLY HA2 1 45 VAL H . . 4.740 3.878 3.680 4.177 . 0 0 "[ . 1 . 2]" 2
225 1 44 CYS HA 1 46 GLY H . . 4.460 3.915 3.652 4.462 0.002 10 0 "[ . 1 . 2]" 2
226 1 45 VAL H 1 47 ILE H . . 4.520 4.368 4.192 4.543 0.023 15 0 "[ . 1 . 2]" 2
227 1 48 SER H 1 51 ARG HG2 . . 4.710 3.772 2.789 4.420 . 0 0 "[ . 1 . 2]" 2
228 1 48 SER H 1 51 ARG HG3 . . 4.710 3.583 3.051 4.619 . 0 0 "[ . 1 . 2]" 2
229 1 47 ILE H 1 48 SER H . . 4.620 4.570 4.485 4.635 0.015 11 0 "[ . 1 . 2]" 2
230 1 48 SER H 1 49 GLU H . . 4.590 4.534 4.431 4.593 0.003 1 0 "[ . 1 . 2]" 2
231 1 29 PHE QD 1 49 GLU H . . 5.100 4.157 3.696 4.560 . 0 0 "[ . 1 . 2]" 2
232 1 54 LEU HB3 1 55 LEU H . . 3.430 3.171 2.889 3.406 . 0 0 "[ . 1 . 2]" 2
233 1 48 SER HA 1 50 ALA H . . 4.800 4.421 4.013 4.810 0.010 19 0 "[ . 1 . 2]" 2
234 1 50 ALA H 1 51 ARG H . . 3.500 2.687 2.581 2.812 . 0 0 "[ . 1 . 2]" 2
235 1 50 ALA H 1 52 GLY H . . 4.630 4.530 4.203 4.650 0.020 8 0 "[ . 1 . 2]" 2
236 1 48 SER HB3 1 51 ARG H . . 4.160 3.480 2.566 4.160 0.000 8 0 "[ . 1 . 2]" 2
237 1 48 SER HB2 1 51 ARG H . . 4.160 3.300 2.407 4.129 . 0 0 "[ . 1 . 2]" 2
238 1 51 ARG H 1 51 ARG HG3 . . 5.070 4.238 3.849 4.574 . 0 0 "[ . 1 . 2]" 2
239 1 50 ALA MB 1 51 ARG H . . 3.470 2.546 2.353 2.773 . 0 0 "[ . 1 . 2]" 2
240 1 51 ARG HG3 1 52 GLY H . . 5.070 4.456 3.373 5.030 . 0 0 "[ . 1 . 2]" 2
241 1 51 ARG HG2 1 52 GLY H . . 5.070 4.536 3.766 4.916 . 0 0 "[ . 1 . 2]" 2
242 1 52 GLY H 1 53 ARG QG . . 5.500 4.959 4.595 5.187 . 0 0 "[ . 1 . 2]" 2
243 1 49 GLU HA 1 52 GLY H . . 4.390 4.052 3.780 4.369 . 0 0 "[ . 1 . 2]" 2
244 1 29 PHE HZ 1 52 GLY H . . 4.860 4.253 3.793 4.557 . 0 0 "[ . 1 . 2]" 2
245 1 29 PHE QE 1 52 GLY H . . 4.620 3.388 3.037 3.971 . 0 0 "[ . 1 . 2]" 2
246 1 53 ARG H 1 53 ARG QG . . 3.100 2.638 2.427 2.804 . 0 0 "[ . 1 . 2]" 2
247 1 54 LEU H 1 54 LEU MD2 . . 4.470 3.838 3.372 4.071 . 0 0 "[ . 1 . 2]" 2
248 1 54 LEU H 1 54 LEU MD1 . . 4.820 3.642 3.372 3.923 . 0 0 "[ . 1 . 2]" 2
249 1 55 LEU MD1 1 56 GLU H . . 5.310 4.339 2.873 4.931 . 0 0 "[ . 1 . 2]" 2
250 1 57 ARG HB3 1 58 ASN H . . 4.390 3.891 3.783 4.090 . 0 0 "[ . 1 . 2]" 2
251 1 57 ARG HB2 1 58 ASN H . . 4.580 3.621 3.226 4.088 . 0 0 "[ . 1 . 2]" 2
252 1 58 ASN H 1 58 ASN HB2 . . 3.580 2.340 2.183 2.712 . 0 0 "[ . 1 . 2]" 2
253 1 54 LEU MD2 1 58 ASN HD21 . . 4.450 3.458 2.045 4.395 . 0 0 "[ . 1 . 2]" 2
254 1 58 ASN H 1 59 GLY H . . 3.250 2.709 2.460 2.883 . 0 0 "[ . 1 . 2]" 2
255 1 59 GLY H 1 60 GLU HB2 . . 4.640 4.140 3.995 4.303 . 0 0 "[ . 1 . 2]" 2
256 1 59 GLY H 1 60 GLU QG . . 4.660 4.115 3.701 4.465 . 0 0 "[ . 1 . 2]" 2
257 1 59 GLY H 1 60 GLU H . . 3.180 2.222 2.090 2.396 . 0 0 "[ . 1 . 2]" 2
258 1 58 ASN HB3 1 60 GLU H . . 4.500 3.992 3.588 4.492 . 0 0 "[ . 1 . 2]" 2
259 1 58 ASN HB2 1 60 GLU H . . 4.500 3.433 2.866 3.992 . 0 0 "[ . 1 . 2]" 2
260 1 63 ILE H 1 64 CYS H . . 5.050 3.997 3.777 4.330 . 0 0 "[ . 1 . 2]" 2
261 1 62 TYR H 1 63 ILE H . . 4.880 4.332 3.431 4.606 . 0 0 "[ . 1 . 2]" 2
262 1 63 ILE H 1 63 ILE MG . . 4.600 3.827 3.754 3.917 . 0 0 "[ . 1 . 2]" 2
263 1 62 TYR QB 1 63 ILE H . . 4.190 3.628 3.069 4.006 . 0 0 "[ . 1 . 2]" 2
264 1 63 ILE HB 1 64 CYS H . . 5.000 4.451 4.418 4.471 . 0 0 "[ . 1 . 2]" 2
265 1 64 CYS H 1 67 CYS HB3 . . 5.480 5.495 5.432 5.516 0.036 2 0 "[ . 1 . 2]" 2
266 1 33 CYS HB3 1 64 CYS H . . 4.790 4.621 4.407 4.720 . 0 0 "[ . 1 . 2]" 2
267 1 64 CYS H 1 65 PRO HD3 . . 5.120 4.982 4.966 5.014 . 0 0 "[ . 1 . 2]" 2
268 1 33 CYS HA 1 64 CYS H . . 3.830 3.688 3.520 3.833 0.003 17 0 "[ . 1 . 2]" 2
269 1 65 PRO HD2 1 66 ASN H . . 3.440 2.786 2.762 2.824 . 0 0 "[ . 1 . 2]" 2
270 1 66 ASN H 1 66 ASN HB2 . . 3.730 2.501 2.204 2.896 . 0 0 "[ . 1 . 2]" 2
271 1 65 PRO QG 1 66 ASN H . . 4.550 1.866 1.818 1.903 . 0 0 "[ . 1 . 2]" 2
272 1 63 ILE MG 1 67 CYS H . . 4.520 4.284 4.034 4.445 . 0 0 "[ . 1 . 2]" 2
273 1 67 CYS HB3 1 68 THR H . . 4.500 2.706 2.556 2.990 . 0 0 "[ . 1 . 2]" 2
274 1 67 CYS HB2 1 68 THR H . . 3.860 2.402 2.260 2.576 . 0 0 "[ . 1 . 2]" 2
275 1 66 ASN HA 1 69 ILE H . . 4.380 4.167 3.991 4.410 0.030 18 0 "[ . 1 . 2]" 2
276 1 70 LEU H 1 71 SER H . . 3.580 2.646 2.410 3.006 . 0 0 "[ . 1 . 2]" 2
277 1 70 LEU MD1 1 71 SER H . . 4.890 4.035 3.770 4.260 . 0 0 "[ . 1 . 2]" 2
278 1 70 LEU MD2 1 71 SER H . . 5.500 4.612 4.400 4.719 . 0 0 "[ . 1 . 2]" 2
279 1 25 HIS QB 1 26 ASN H . . 4.250 3.982 3.899 4.064 . 0 0 "[ . 1 . 2]" 2
280 1 52 GLY HA2 1 55 LEU H . . 4.290 3.448 3.111 3.886 . 0 0 "[ . 1 . 2]" 2
281 1 53 ARG H 1 53 ARG HB2 . . 2.970 2.306 2.199 2.419 . 0 0 "[ . 1 . 2]" 2
282 1 67 CYS H 1 69 ILE H . . 5.230 3.965 3.669 4.290 . 0 0 "[ . 1 . 2]" 2
283 1 64 CYS H 1 67 CYS H . . 5.240 5.189 5.101 5.223 . 0 0 "[ . 1 . 2]" 2
284 1 68 THR H 1 70 LEU H . . 4.500 4.312 3.976 4.447 . 0 0 "[ . 1 . 2]" 2
285 1 22 ARG H 1 22 ARG HD3 . . 3.980 2.971 2.136 3.849 . 0 0 "[ . 1 . 2]" 2
286 1 44 CYS H 1 44 CYS HB3 . . 4.200 3.546 3.506 3.582 . 0 0 "[ . 1 . 2]" 2
287 1 27 ASN H 1 28 ARG H . . 4.050 2.825 1.790 3.244 . 0 0 "[ . 1 . 2]" 2
288 1 33 CYS H 1 37 GLU HA . . 4.740 3.582 3.015 4.512 . 0 0 "[ . 1 . 2]" 2
289 1 34 ASP HA 1 37 GLU H . . 4.900 3.956 3.647 4.268 . 0 0 "[ . 1 . 2]" 2
290 1 35 ARG HA 1 37 GLU H . . 5.500 4.466 4.253 4.717 . 0 0 "[ . 1 . 2]" 2
291 1 28 ARG HG2 1 29 PHE H . . 5.240 4.287 3.949 4.751 . 0 0 "[ . 1 . 2]" 2
292 1 29 PHE H 1 49 GLU QG . . 5.500 4.709 3.725 5.522 0.022 20 0 "[ . 1 . 2]" 2
293 1 15 ASN H 1 15 ASN HD22 . . 4.730 4.003 3.242 4.674 . 0 0 "[ . 1 . 2]" 2
294 1 14 PRO HA 1 16 ALA H . . 4.760 4.257 3.528 4.754 . 0 0 "[ . 1 . 2]" 2
295 1 19 CYS H 1 30 MET ME . . 5.190 3.289 2.803 3.728 . 0 0 "[ . 1 . 2]" 2
296 1 19 CYS H 1 39 TRP H . . 5.500 5.372 5.075 5.513 0.013 17 0 "[ . 1 . 2]" 2
297 1 19 CYS H 1 20 ILE H . . 5.500 4.628 4.608 4.646 . 0 0 "[ . 1 . 2]" 2
298 1 22 ARG H 1 22 ARG HE . . 5.230 4.602 1.914 5.237 0.007 13 0 "[ . 1 . 2]" 2
299 1 20 ILE H 1 22 ARG H . . 5.070 4.184 4.074 4.396 . 0 0 "[ . 1 . 2]" 2
300 1 19 CYS HB3 1 23 GLN H . . 4.740 2.824 2.692 2.999 . 0 0 "[ . 1 . 2]" 2
301 1 24 PRO HD2 1 26 ASN HD22 . . 5.240 3.432 2.742 4.519 . 0 0 "[ . 1 . 2]" 2
302 1 27 ASN HB3 1 28 ARG H . . 5.500 3.601 2.515 4.667 . 0 0 "[ . 1 . 2]" 2
303 1 27 ASN HB2 1 28 ARG H . . 5.500 3.475 2.535 4.571 . 0 0 "[ . 1 . 2]" 2
304 1 29 PHE H 1 30 MET H . . 5.430 4.576 4.221 4.634 . 0 0 "[ . 1 . 2]" 2
305 1 32 CYS H 1 33 CYS H . . 5.500 4.269 4.004 4.437 . 0 0 "[ . 1 . 2]" 2
306 1 33 CYS HB3 1 35 ARG H . . 5.390 3.635 3.232 3.841 . 0 0 "[ . 1 . 2]" 2
307 1 33 CYS H 1 37 GLU H . . 5.210 4.412 3.926 4.965 . 0 0 "[ . 1 . 2]" 2
308 1 36 CYS HB2 1 38 GLU H . . 5.500 4.098 2.691 4.484 . 0 0 "[ . 1 . 2]" 2
309 1 36 CYS H 1 38 GLU H . . 5.370 4.195 3.906 4.422 . 0 0 "[ . 1 . 2]" 2
310 1 39 TRP HE3 1 40 PHE H . . 4.810 3.596 3.113 4.053 . 0 0 "[ . 1 . 2]" 2
311 1 42 GLY H 1 45 VAL MG2 . . 5.030 3.842 3.608 4.080 . 0 0 "[ . 1 . 2]" 2
312 1 42 GLY H 1 47 ILE HB . . 5.500 4.745 4.535 5.188 . 0 0 "[ . 1 . 2]" 2
313 1 41 HIS HD2 1 42 GLY H . . 5.500 4.428 4.127 4.650 . 0 0 "[ . 1 . 2]" 2
314 1 30 MET H 1 42 GLY H . . 5.210 4.797 4.348 5.204 . 0 0 "[ . 1 . 2]" 2
315 1 41 HIS H 1 42 GLY H . . 5.390 4.479 4.419 4.540 . 0 0 "[ . 1 . 2]" 2
316 1 42 GLY H 1 45 VAL H . . 5.500 4.884 4.764 5.140 . 0 0 "[ . 1 . 2]" 2
317 1 43 ASP H 1 45 VAL H . . 5.500 4.445 4.026 4.779 . 0 0 "[ . 1 . 2]" 2
318 1 47 ILE MG 1 51 ARG H . . 5.000 4.156 3.808 4.524 . 0 0 "[ . 1 . 2]" 2
319 1 29 PHE QE 1 53 ARG H . . 5.500 3.915 3.251 4.578 . 0 0 "[ . 1 . 2]" 2
320 1 52 GLY HA2 1 54 LEU H . . 4.730 4.337 4.068 4.673 . 0 0 "[ . 1 . 2]" 2
321 1 52 GLY H 1 54 LEU H . . 5.320 4.371 3.889 4.791 . 0 0 "[ . 1 . 2]" 2
322 1 54 LEU MD2 1 57 ARG H . . 4.960 4.769 4.423 4.951 . 0 0 "[ . 1 . 2]" 2
323 1 58 ASN H 1 59 GLY QA . . 4.810 4.503 4.319 4.615 . 0 0 "[ . 1 . 2]" 2
324 1 66 ASN H 1 67 CYS HA . . 5.500 5.449 5.422 5.470 . 0 0 "[ . 1 . 2]" 2
325 1 65 PRO HD3 1 66 ASN H . . 4.620 3.887 3.877 3.904 . 0 0 "[ . 1 . 2]" 2
326 1 65 PRO HA 1 67 CYS H . . 4.630 3.835 3.746 3.897 . 0 0 "[ . 1 . 2]" 2
327 1 69 ILE HG13 1 70 LEU H . . 5.500 4.449 4.318 5.056 . 0 0 "[ . 1 . 2]" 2
328 1 57 ARG HB3 1 57 ARG QD . . 3.700 2.690 2.135 3.536 . 0 0 "[ . 1 . 2]" 2
329 1 57 ARG HB2 1 57 ARG QD . . 3.890 2.660 2.190 2.993 . 0 0 "[ . 1 . 2]" 2
330 1 31 ILE HB 1 31 ILE HG12 . . 2.870 2.501 2.388 2.596 . 0 0 "[ . 1 . 2]" 2
331 1 31 ILE HB 1 31 ILE MD . . 3.280 3.213 3.200 3.224 . 0 0 "[ . 1 . 2]" 2
332 1 51 ARG HB3 1 51 ARG HD3 . . 3.920 3.089 2.167 3.695 . 0 0 "[ . 1 . 2]" 2
333 1 53 ARG HB2 1 53 ARG HD2 . . 3.860 3.617 3.468 4.056 0.196 7 0 "[ . 1 . 2]" 2
334 1 17 LEU HB3 1 17 LEU MD1 . . 3.330 2.446 2.276 2.626 . 0 0 "[ . 1 . 2]" 2
335 1 40 PHE HB2 1 45 VAL MG1 . . 3.300 1.989 1.869 2.475 . 0 0 "[ . 1 . 2]" 2
336 1 70 LEU H 1 70 LEU HB3 . . 3.780 3.602 3.580 3.636 . 0 0 "[ . 1 . 2]" 2
337 1 70 LEU HB3 1 70 LEU MD2 . . 3.470 2.211 2.063 2.363 . 0 0 "[ . 1 . 2]" 2
338 1 61 ASP H 1 61 ASP QB . . 3.270 2.660 2.345 3.068 . 0 0 "[ . 1 . 2]" 2
339 1 55 LEU HB3 1 55 LEU MD1 . . 3.510 2.600 2.322 3.169 . 0 0 "[ . 1 . 2]" 2
340 1 45 VAL MG2 1 47 ILE HB . . 3.360 2.282 2.063 2.552 . 0 0 "[ . 1 . 2]" 2
341 1 58 ASN H 1 58 ASN HB3 . . 3.580 3.549 3.486 3.598 0.018 6 0 "[ . 1 . 2]" 2
342 1 63 ILE H 1 63 ILE HB . . 3.380 2.612 2.431 2.797 . 0 0 "[ . 1 . 2]" 2
343 1 60 GLU HA 1 60 GLU QG . . 3.270 2.512 2.165 2.954 . 0 0 "[ . 1 . 2]" 2
344 1 23 GLN HA 1 23 GLN QG . . 3.710 2.502 2.214 2.909 . 0 0 "[ . 1 . 2]" 2
345 1 33 CYS H 1 33 CYS HB3 . . 3.430 2.690 2.599 2.840 . 0 0 "[ . 1 . 2]" 2
346 1 33 CYS HB2 1 64 CYS HB3 . . 3.250 2.743 2.394 2.859 . 0 0 "[ . 1 . 2]" 2
347 1 60 GLU HB3 1 60 GLU QG . . 2.740 2.367 2.255 2.464 . 0 0 "[ . 1 . 2]" 2
348 1 69 ILE HA 1 69 ILE MG . . 3.210 2.507 2.451 2.557 . 0 0 "[ . 1 . 2]" 2
349 1 57 ARG H 1 57 ARG HB3 . . 2.970 2.538 2.235 2.783 . 0 0 "[ . 1 . 2]" 2
350 1 63 ILE MG 1 67 CYS HB2 . . 3.230 2.667 2.367 2.817 . 0 0 "[ . 1 . 2]" 2
351 1 63 ILE MG 1 67 CYS HB3 . . 3.280 2.933 2.730 3.056 . 0 0 "[ . 1 . 2]" 2
352 1 51 ARG H 1 51 ARG HB2 . . 3.340 2.206 2.148 2.503 . 0 0 "[ . 1 . 2]" 2
353 1 49 GLU HB3 1 49 GLU QG . . 2.760 2.376 2.137 2.472 . 0 0 "[ . 1 . 2]" 2
354 1 31 ILE HA 1 31 ILE HG12 . . 3.740 3.626 3.573 3.724 . 0 0 "[ . 1 . 2]" 2
355 1 31 ILE HG12 1 31 ILE MG . . 3.210 3.187 3.173 3.198 . 0 0 "[ . 1 . 2]" 2
356 1 31 ILE HG13 1 31 ILE MG . . 2.570 2.423 2.295 2.574 0.004 7 0 "[ . 1 . 2]" 2
357 1 69 ILE HG12 1 69 ILE MG . . 3.440 2.321 2.206 2.455 . 0 0 "[ . 1 . 2]" 2
358 1 53 ARG HB3 1 53 ARG QG . . 2.760 2.450 2.391 2.470 . 0 0 "[ . 1 . 2]" 2
359 1 55 LEU H 1 55 LEU HG . . 3.300 2.363 1.956 3.338 0.038 9 0 "[ . 1 . 2]" 2
360 1 70 LEU HB2 1 70 LEU HG . . 2.700 2.548 2.471 2.644 . 0 0 "[ . 1 . 2]" 2
361 1 55 LEU HB2 1 55 LEU MD1 . . 3.510 2.202 2.080 2.374 . 0 0 "[ . 1 . 2]" 2
362 1 54 LEU HA 1 54 LEU MD2 . . 3.150 2.113 1.963 2.306 . 0 0 "[ . 1 . 2]" 2
363 1 70 LEU HB2 1 70 LEU MD1 . . 2.970 2.172 2.014 2.292 . 0 0 "[ . 1 . 2]" 2
364 1 17 LEU HB2 1 17 LEU MD1 . . 3.150 2.231 2.038 2.376 . 0 0 "[ . 1 . 2]" 2
365 1 10 GLU HA 1 11 VAL H . . 3.170 2.375 2.186 2.598 . 0 0 "[ . 1 . 2]" 2
366 1 70 LEU HA 1 70 LEU MD2 . . 2.970 2.269 1.999 2.508 . 0 0 "[ . 1 . 2]" 2
367 1 60 GLU HA 1 61 ASP H . . 3.090 2.384 2.140 2.631 . 0 0 "[ . 1 . 2]" 2
368 1 55 LEU HB3 1 55 LEU MD2 . . 3.510 2.202 2.060 2.364 . 0 0 "[ . 1 . 2]" 2
369 1 70 LEU HB2 1 70 LEU MD2 . . 3.230 3.166 3.136 3.194 . 0 0 "[ . 1 . 2]" 2
370 1 17 LEU HA 1 18 TYR H . . 3.000 2.178 2.140 2.371 . 0 0 "[ . 1 . 2]" 2
371 1 16 ALA HA 1 17 LEU H . . 2.890 2.173 2.141 2.260 . 0 0 "[ . 1 . 2]" 2
372 1 23 GLN HA 1 24 PRO HD3 . . 3.130 2.286 2.270 2.305 . 0 0 "[ . 1 . 2]" 2
373 1 17 LEU MD2 1 24 PRO HD3 . . 4.160 3.778 3.300 4.110 . 0 0 "[ . 1 . 2]" 2
374 1 23 GLN HA 1 24 PRO HD2 . . 3.400 2.364 2.310 2.419 . 0 0 "[ . 1 . 2]" 2
375 1 23 GLN HB3 1 24 PRO HD2 . . 3.190 2.115 2.028 2.221 . 0 0 "[ . 1 . 2]" 2
376 1 64 CYS HA 1 65 PRO HD3 . . 3.070 2.320 2.310 2.336 . 0 0 "[ . 1 . 2]" 2
377 1 64 CYS HB2 1 65 PRO HD3 . . 3.400 3.312 3.258 3.348 . 0 0 "[ . 1 . 2]" 2
378 1 64 CYS HA 1 65 PRO HD2 . . 3.480 2.453 2.430 2.488 . 0 0 "[ . 1 . 2]" 2
379 1 64 CYS HB2 1 65 PRO HD2 . . 3.260 1.964 1.926 1.984 . 0 0 "[ . 1 . 2]" 2
380 1 72 GLY HA3 1 73 PRO QD . . 2.900 2.342 1.870 2.747 . 0 0 "[ . 1 . 2]" 2
381 1 72 GLY HA2 1 73 PRO QD . . 2.900 2.305 1.990 2.847 . 0 0 "[ . 1 . 2]" 2
382 1 42 GLY HA2 1 47 ILE MG . . 4.040 3.207 2.879 3.765 . 0 0 "[ . 1 . 2]" 2
383 1 8 GLU HA 1 8 GLU QG . . 3.810 2.784 2.155 3.448 . 0 0 "[ . 1 . 2]" 2
384 1 8 GLU H 1 8 GLU QG . . 4.050 3.122 2.065 4.066 0.016 18 0 "[ . 1 . 2]" 2
385 1 8 GLU QG 1 9 CYS H . . 4.530 3.447 2.209 4.352 . 0 0 "[ . 1 . 2]" 2
386 1 17 LEU MD2 1 22 ARG HA . . 4.180 2.536 1.970 3.245 . 0 0 "[ . 1 . 2]" 2
387 1 12 TYR HA 1 12 TYR QD . . 3.980 2.883 2.139 3.734 . 0 0 "[ . 1 . 2]" 2
388 1 13 ASP H 1 13 ASP HB2 . . 4.180 2.694 2.208 3.551 . 0 0 "[ . 1 . 2]" 2
389 1 13 ASP H 1 13 ASP HB3 . . 4.180 3.642 2.824 3.984 . 0 0 "[ . 1 . 2]" 2
390 1 20 ILE HA 1 40 PHE QE . . 5.490 3.640 3.408 3.893 . 0 0 "[ . 1 . 2]" 2
391 1 17 LEU MD2 1 24 PRO HD2 . . 5.500 4.884 4.505 5.171 . 0 0 "[ . 1 . 2]" 2
392 1 23 GLN QG 1 24 PRO HD2 . . 4.070 3.502 3.069 3.917 . 0 0 "[ . 1 . 2]" 2
393 1 23 GLN HB3 1 24 PRO HD3 . . 3.760 3.549 3.473 3.640 . 0 0 "[ . 1 . 2]" 2
394 1 23 GLN QG 1 24 PRO HD3 . . 4.720 4.229 3.743 4.701 . 0 0 "[ . 1 . 2]" 2
395 1 43 ASP H 1 43 ASP HB2 . . 4.080 2.607 2.227 3.578 . 0 0 "[ . 1 . 2]" 2
396 1 15 ASN HB3 1 16 ALA H . . 4.720 3.924 3.521 4.518 . 0 0 "[ . 1 . 2]" 2
397 1 15 ASN H 1 15 ASN HB3 . . 3.940 3.212 2.246 3.745 . 0 0 "[ . 1 . 2]" 2
398 1 16 ALA HA 1 17 LEU MD2 . . 5.120 4.590 3.996 5.091 . 0 0 "[ . 1 . 2]" 2
399 1 16 ALA MB 1 17 LEU H . . 3.520 3.340 2.828 3.529 0.009 16 0 "[ . 1 . 2]" 2
400 1 15 ASN H 1 16 ALA MB . . 4.840 4.105 3.787 4.516 . 0 0 "[ . 1 . 2]" 2
401 1 13 ASP HB2 1 16 ALA MB . . 3.780 2.350 1.977 3.137 . 0 0 "[ . 1 . 2]" 2
402 1 13 ASP HB3 1 16 ALA MB . . 3.780 2.798 1.795 3.651 . 0 0 "[ . 1 . 2]" 2
403 1 16 ALA MB 1 17 LEU HG . . 4.960 4.527 4.243 4.905 . 0 0 "[ . 1 . 2]" 2
404 1 70 LEU HB2 1 71 SER H . . 4.020 2.240 1.941 2.452 . 0 0 "[ . 1 . 2]" 2
405 1 17 LEU H 1 17 LEU HB3 . . 4.100 3.830 3.730 3.896 . 0 0 "[ . 1 . 2]" 2
406 1 17 LEU HA 1 17 LEU HG . . 3.950 3.149 2.915 3.390 . 0 0 "[ . 1 . 2]" 2
407 1 16 ALA HA 1 17 LEU HG . . 4.040 3.886 3.535 4.039 . 0 0 "[ . 1 . 2]" 2
408 1 17 LEU H 1 17 LEU HG . . 3.570 2.892 2.532 3.123 . 0 0 "[ . 1 . 2]" 2
409 1 17 LEU H 1 17 LEU MD1 . . 4.540 3.977 3.562 4.281 . 0 0 "[ . 1 . 2]" 2
410 1 17 LEU HA 1 17 LEU MD1 . . 4.220 3.926 3.837 3.967 . 0 0 "[ . 1 . 2]" 2
411 1 17 LEU MD1 1 22 ARG HG2 . . 4.300 3.304 2.303 4.306 0.006 16 0 "[ . 1 . 2]" 2
412 1 17 LEU HA 1 17 LEU MD2 . . 3.220 2.257 1.968 2.554 . 0 0 "[ . 1 . 2]" 2
413 1 17 LEU MD2 1 23 GLN HA . . 3.550 3.304 3.030 3.503 . 0 0 "[ . 1 . 2]" 2
414 1 17 LEU H 1 17 LEU MD2 . . 4.060 3.807 3.225 4.061 0.001 9 0 "[ . 1 . 2]" 2
415 1 11 VAL H 1 11 VAL MG2 . . 4.290 3.031 1.880 4.023 . 0 0 "[ . 1 . 2]" 2
416 1 18 TYR HB3 1 39 TRP HB2 . . 4.070 2.117 1.995 2.492 . 0 0 "[ . 1 . 2]" 2
417 1 18 TYR HB3 1 19 CYS HA . . 4.470 4.016 3.906 4.107 . 0 0 "[ . 1 . 2]" 2
418 1 18 TYR H 1 18 TYR HB3 . . 3.920 3.672 3.581 3.781 . 0 0 "[ . 1 . 2]" 2
419 1 18 TYR H 1 18 TYR HB2 . . 3.810 2.492 2.317 2.645 . 0 0 "[ . 1 . 2]" 2
420 1 18 TYR HB2 1 19 CYS HB2 . . 4.580 4.107 3.962 4.288 . 0 0 "[ . 1 . 2]" 2
421 1 18 TYR HB2 1 30 MET ME . . 4.510 2.863 2.257 3.207 . 0 0 "[ . 1 . 2]" 2
422 1 19 CYS HA 1 40 PHE QD . . 3.670 1.996 1.969 2.018 . 0 0 "[ . 1 . 2]" 2
423 1 19 CYS HA 1 40 PHE QE . . 4.690 3.397 3.203 3.642 . 0 0 "[ . 1 . 2]" 2
424 1 19 CYS HA 1 40 PHE HA . . 3.510 2.468 2.208 2.575 . 0 0 "[ . 1 . 2]" 2
425 1 20 ILE HG13 1 21 CYS HA . . 4.880 3.494 3.372 3.653 . 0 0 "[ . 1 . 2]" 2
426 1 20 ILE HG13 1 21 CYS H . . 3.800 2.422 2.230 2.694 . 0 0 "[ . 1 . 2]" 2
427 1 20 ILE H 1 20 ILE HG13 . . 3.920 2.946 2.776 3.111 . 0 0 "[ . 1 . 2]" 2
428 1 20 ILE HG12 1 21 CYS H . . 3.850 3.060 2.883 3.192 . 0 0 "[ . 1 . 2]" 2
429 1 20 ILE HG12 1 40 PHE QD . . 4.070 3.071 2.856 3.515 . 0 0 "[ . 1 . 2]" 2
430 1 20 ILE HG12 1 20 ILE MG . . 3.640 2.284 2.183 2.366 . 0 0 "[ . 1 . 2]" 2
431 1 20 ILE MG 1 65 PRO QG . . 5.460 5.020 4.644 5.472 0.012 16 0 "[ . 1 . 2]" 2
432 1 20 ILE HA 1 20 ILE MG . . 3.360 2.258 2.166 2.357 . 0 0 "[ . 1 . 2]" 2
433 1 20 ILE MG 1 40 PHE QE . . 3.400 1.987 1.838 2.088 . 0 0 "[ . 1 . 2]" 2
434 1 20 ILE MG 1 40 PHE QD . . 3.620 2.585 2.265 3.173 . 0 0 "[ . 1 . 2]" 2
435 1 20 ILE MG 1 40 PHE HZ . . 3.700 3.580 3.184 3.717 0.017 10 0 "[ . 1 . 2]" 2
436 1 20 ILE H 1 20 ILE MG . . 3.960 2.387 2.218 2.582 . 0 0 "[ . 1 . 2]" 2
437 1 20 ILE MD 1 45 VAL MG1 . . 3.730 3.390 2.867 3.722 . 0 0 "[ . 1 . 2]" 2
438 1 20 ILE MD 1 20 ILE MG . . 3.330 2.101 1.964 2.247 . 0 0 "[ . 1 . 2]" 2
439 1 20 ILE MD 1 65 PRO QG . . 4.120 3.986 3.623 4.135 0.015 9 0 "[ . 1 . 2]" 2
440 1 20 ILE HB 1 20 ILE MD . . 3.400 2.351 2.222 2.446 . 0 0 "[ . 1 . 2]" 2
441 1 20 ILE MD 1 44 CYS HB3 . . 3.670 3.356 3.030 3.672 0.002 13 0 "[ . 1 . 2]" 2
442 1 20 ILE HA 1 20 ILE MD . . 4.740 4.169 4.150 4.181 . 0 0 "[ . 1 . 2]" 2
443 1 20 ILE MD 1 21 CYS HA . . 5.020 4.629 4.479 4.829 . 0 0 "[ . 1 . 2]" 2
444 1 20 ILE MD 1 45 VAL HA . . 5.290 4.293 3.944 4.561 . 0 0 "[ . 1 . 2]" 2
445 1 20 ILE MD 1 40 PHE QE . . 4.930 4.627 4.405 4.781 . 0 0 "[ . 1 . 2]" 2
446 1 20 ILE MD 1 40 PHE QD . . 4.440 4.249 4.061 4.443 0.003 6 0 "[ . 1 . 2]" 2
447 1 20 ILE MD 1 21 CYS H . . 4.360 4.044 3.910 4.249 . 0 0 "[ . 1 . 2]" 2
448 1 20 ILE H 1 20 ILE MD . . 4.680 3.658 3.571 3.730 . 0 0 "[ . 1 . 2]" 2
449 1 17 LEU HB3 1 22 ARG HA . . 4.010 2.315 2.001 2.723 . 0 0 "[ . 1 . 2]" 2
450 1 17 LEU MD1 1 22 ARG HA . . 5.500 3.307 2.834 4.026 . 0 0 "[ . 1 . 2]" 2
451 1 22 ARG HA 1 22 ARG HD3 . . 3.790 3.283 2.492 3.801 0.011 10 0 "[ . 1 . 2]" 2
452 1 22 ARG HA 1 22 ARG HD2 . . 3.790 2.854 2.009 3.807 0.017 8 0 "[ . 1 . 2]" 2
453 1 17 LEU MD2 1 22 ARG HB2 . . 5.110 3.539 3.160 3.945 . 0 0 "[ . 1 . 2]" 2
454 1 17 LEU MD2 1 22 ARG HB3 . . 5.110 2.199 1.948 2.836 . 0 0 "[ . 1 . 2]" 2
455 1 17 LEU MD1 1 22 ARG HG3 . . 4.300 2.586 1.917 3.916 . 0 0 "[ . 1 . 2]" 2
456 1 23 GLN HB2 1 24 PRO HD2 . . 3.760 3.687 3.594 3.770 0.010 13 0 "[ . 1 . 2]" 2
457 1 21 CYS HB2 1 23 GLN QG . . 3.730 2.856 2.725 3.067 . 0 0 "[ . 1 . 2]" 2
458 1 21 CYS HB3 1 23 GLN QG . . 4.110 4.066 3.886 4.126 0.016 11 0 "[ . 1 . 2]" 2
459 1 17 LEU MD2 1 23 GLN QG . . 5.070 4.459 4.197 4.820 . 0 0 "[ . 1 . 2]" 2
460 1 28 ARG HA 1 28 ARG HG3 . . 3.680 2.865 2.362 3.254 . 0 0 "[ . 1 . 2]" 2
461 1 28 ARG HA 1 28 ARG HG2 . . 3.680 2.817 2.569 3.517 . 0 0 "[ . 1 . 2]" 2
462 1 28 ARG HA 1 28 ARG HD3 . . 5.370 4.544 4.200 4.763 . 0 0 "[ . 1 . 2]" 2
463 1 28 ARG H 1 28 ARG HB2 . . 4.150 2.652 2.522 2.765 . 0 0 "[ . 1 . 2]" 2
464 1 26 ASN HD21 1 28 ARG HD2 . . 4.650 3.256 2.127 3.914 . 0 0 "[ . 1 . 2]" 2
465 1 26 ASN HD21 1 28 ARG HD3 . . 4.650 4.024 2.629 4.608 . 0 0 "[ . 1 . 2]" 2
466 1 29 PHE HA 1 29 PHE QD . . 3.720 2.557 2.255 3.165 . 0 0 "[ . 1 . 2]" 2
467 1 29 PHE HB2 1 49 GLU HB2 . . 5.140 3.676 2.952 4.550 . 0 0 "[ . 1 . 2]" 2
468 1 29 PHE HB2 1 49 GLU QG . . 4.940 2.518 1.977 3.509 . 0 0 "[ . 1 . 2]" 2
469 1 29 PHE QD 1 47 ILE MG . . 4.930 3.254 2.555 4.552 . 0 0 "[ . 1 . 2]" 2
470 1 30 MET HA 1 41 HIS HA . . 3.970 2.950 2.712 3.298 . 0 0 "[ . 1 . 2]" 2
471 1 30 MET QG 1 41 HIS HA . . 3.810 2.823 1.987 3.662 . 0 0 "[ . 1 . 2]" 2
472 1 30 MET HA 1 30 MET QG . . 3.950 2.468 2.195 2.768 . 0 0 "[ . 1 . 2]" 2
473 1 30 MET QG 1 41 HIS HD2 . . 3.920 2.360 2.038 3.149 . 0 0 "[ . 1 . 2]" 2
474 1 25 HIS HD2 1 30 MET QG . . 3.980 2.983 1.983 3.868 . 0 0 "[ . 1 . 2]" 2
475 1 30 MET ME 1 41 HIS H . . 5.240 4.290 3.482 5.223 . 0 0 "[ . 1 . 2]" 2
476 1 30 MET ME 1 40 PHE H . . 4.850 3.837 2.897 4.800 . 0 0 "[ . 1 . 2]" 2
477 1 18 TYR QD 1 30 MET ME . . 4.500 3.559 2.387 3.965 . 0 0 "[ . 1 . 2]" 2
478 1 25 HIS HD2 1 30 MET ME . . 4.780 3.605 2.253 4.602 . 0 0 "[ . 1 . 2]" 2
479 1 30 MET ME 1 41 HIS HD2 . . 3.880 3.119 2.236 3.667 . 0 0 "[ . 1 . 2]" 2
480 1 30 MET ME 1 39 TRP HE3 . . 4.060 3.721 2.915 4.086 0.026 6 0 "[ . 1 . 2]" 2
481 1 24 PRO HA 1 30 MET ME . . 5.350 4.846 4.487 5.327 . 0 0 "[ . 1 . 2]" 2
482 1 30 MET ME 1 41 HIS HA . . 4.910 4.104 3.328 4.796 . 0 0 "[ . 1 . 2]" 2
483 1 30 MET ME 1 40 PHE HA . . 4.790 3.359 2.321 4.490 . 0 0 "[ . 1 . 2]" 2
484 1 25 HIS HA 1 30 MET ME . . 4.570 2.666 1.958 3.950 . 0 0 "[ . 1 . 2]" 2
485 1 25 HIS QB 1 30 MET ME . . 3.630 2.749 2.216 3.393 . 0 0 "[ . 1 . 2]" 2
486 1 18 TYR HB3 1 30 MET ME . . 3.680 2.948 2.289 3.398 . 0 0 "[ . 1 . 2]" 2
487 1 30 MET ME 1 39 TRP HB2 . . 3.920 2.952 2.548 3.226 . 0 0 "[ . 1 . 2]" 2
488 1 30 MET ME 1 39 TRP HB3 . . 3.740 2.101 1.850 2.443 . 0 0 "[ . 1 . 2]" 2
489 1 31 ILE HA 1 39 TRP HE3 . . 4.130 3.576 3.038 3.950 . 0 0 "[ . 1 . 2]" 2
490 1 31 ILE HB 1 47 ILE MG . . 4.750 4.507 4.162 4.761 0.011 9 0 "[ . 1 . 2]" 2
491 1 29 PHE QE 1 31 ILE HB . . 4.620 4.490 4.205 4.623 0.003 2 0 "[ . 1 . 2]" 2
492 1 31 ILE MG 1 47 ILE MG . . 3.040 2.506 2.213 2.877 . 0 0 "[ . 1 . 2]" 2
493 1 31 ILE MG 1 47 ILE HB . . 4.250 3.712 3.078 4.129 . 0 0 "[ . 1 . 2]" 2
494 1 31 ILE MG 1 52 GLY HA2 . . 3.930 3.629 3.324 3.886 . 0 0 "[ . 1 . 2]" 2
495 1 31 ILE MG 1 52 GLY HA3 . . 3.700 2.902 2.613 3.382 . 0 0 "[ . 1 . 2]" 2
496 1 31 ILE MG 1 39 TRP HZ3 . . 4.850 4.252 3.959 4.755 . 0 0 "[ . 1 . 2]" 2
497 1 31 ILE MG 1 62 TYR QD . . 5.050 4.100 3.657 4.425 . 0 0 "[ . 1 . 2]" 2
498 1 29 PHE HZ 1 31 ILE MG . . 3.950 2.163 1.971 2.473 . 0 0 "[ . 1 . 2]" 2
499 1 29 PHE QE 1 31 ILE MG . . 3.840 2.070 1.897 2.226 . 0 0 "[ . 1 . 2]" 2
500 1 30 MET H 1 31 ILE MG . . 5.180 3.880 3.587 4.455 . 0 0 "[ . 1 . 2]" 2
501 1 31 ILE H 1 31 ILE MD . . 3.290 1.853 1.734 1.988 . 0 0 "[ . 1 . 2]" 2
502 1 30 MET H 1 31 ILE MD . . 5.500 4.823 4.585 5.221 . 0 0 "[ . 1 . 2]" 2
503 1 31 ILE MD 1 40 PHE QD . . 4.690 3.193 2.706 3.554 . 0 0 "[ . 1 . 2]" 2
504 1 29 PHE QE 1 31 ILE MD . . 4.230 3.673 3.054 4.159 . 0 0 "[ . 1 . 2]" 2
505 1 29 PHE HZ 1 31 ILE MD . . 5.240 4.835 4.392 5.241 0.001 6 0 "[ . 1 . 2]" 2
506 1 31 ILE MD 1 62 TYR QD . . 4.380 3.867 3.417 4.249 . 0 0 "[ . 1 . 2]" 2
507 1 30 MET HA 1 31 ILE MD . . 4.800 2.845 2.702 3.029 . 0 0 "[ . 1 . 2]" 2
508 1 31 ILE HA 1 31 ILE MD . . 3.900 3.506 3.391 3.632 . 0 0 "[ . 1 . 2]" 2
509 1 31 ILE MD 1 42 GLY HA3 . . 4.720 4.206 3.617 4.730 0.010 9 0 "[ . 1 . 2]" 2
510 1 31 ILE MD 1 42 GLY HA2 . . 4.160 3.123 2.506 3.670 . 0 0 "[ . 1 . 2]" 2
511 1 31 ILE MD 1 33 CYS HB2 . . 5.450 4.718 4.305 5.323 . 0 0 "[ . 1 . 2]" 2
512 1 31 ILE MD 1 62 TYR QB . . 5.500 4.718 4.225 5.137 . 0 0 "[ . 1 . 2]" 2
513 1 31 ILE MD 1 40 PHE HB3 . . 4.380 4.062 3.207 4.385 0.005 13 0 "[ . 1 . 2]" 2
514 1 31 ILE MD 1 47 ILE HB . . 4.000 3.102 2.536 3.672 . 0 0 "[ . 1 . 2]" 2
515 1 31 ILE MD 1 47 ILE MG . . 3.710 3.263 2.583 3.711 0.001 8 0 "[ . 1 . 2]" 2
516 1 31 ILE MD 1 45 VAL MG2 . . 3.100 2.129 1.862 2.399 . 0 0 "[ . 1 . 2]" 2
517 1 31 ILE MD 1 31 ILE MG . . 3.110 1.909 1.851 1.981 . 0 0 "[ . 1 . 2]" 2
518 1 33 CYS HB3 1 37 GLU HA . . 4.770 3.021 2.567 4.140 . 0 0 "[ . 1 . 2]" 2
519 1 32 CYS HA 1 33 CYS HB3 . . 4.790 4.742 4.544 4.808 0.018 20 0 "[ . 1 . 2]" 2
520 1 33 CYS HB3 1 40 PHE QE . . 3.800 3.055 2.231 3.477 . 0 0 "[ . 1 . 2]" 2
521 1 33 CYS HB3 1 37 GLU H . . 4.160 2.279 1.901 2.962 . 0 0 "[ . 1 . 2]" 2
522 1 33 CYS HB2 1 36 CYS H . . 5.160 4.268 3.789 4.505 . 0 0 "[ . 1 . 2]" 2
523 1 33 CYS HB2 1 37 GLU H . . 4.750 4.016 3.643 4.660 . 0 0 "[ . 1 . 2]" 2
524 1 33 CYS HB2 1 40 PHE QD . . 4.680 3.120 2.144 3.612 . 0 0 "[ . 1 . 2]" 2
525 1 33 CYS HB2 1 40 PHE QE . . 3.640 2.467 1.989 2.768 . 0 0 "[ . 1 . 2]" 2
526 1 33 CYS HB2 1 62 TYR QD . . 5.470 4.180 3.537 4.664 . 0 0 "[ . 1 . 2]" 2
527 1 32 CYS HA 1 33 CYS HB2 . . 5.000 4.468 4.379 4.668 . 0 0 "[ . 1 . 2]" 2
528 1 33 CYS HB2 1 64 CYS HA . . 5.500 5.189 4.806 5.371 . 0 0 "[ . 1 . 2]" 2
529 1 33 CYS HB2 1 64 CYS HB2 . . 4.410 4.247 3.942 4.417 0.007 15 0 "[ . 1 . 2]" 2
530 1 34 ASP H 1 34 ASP HB2 . . 3.870 2.814 2.265 3.261 . 0 0 "[ . 1 . 2]" 2
531 1 34 ASP H 1 34 ASP HB3 . . 3.870 2.857 2.227 3.738 . 0 0 "[ . 1 . 2]" 2
532 1 35 ARG HB2 1 67 CYS HB2 . . 4.550 3.646 3.420 4.461 . 0 0 "[ . 1 . 2]" 2
533 1 35 ARG HB2 1 67 CYS HB3 . . 4.190 3.274 3.021 4.200 0.010 19 0 "[ . 1 . 2]" 2
534 1 35 ARG HB3 1 63 ILE MG . . 4.700 4.104 3.200 4.403 . 0 0 "[ . 1 . 2]" 2
535 1 35 ARG HB3 1 67 CYS HB3 . . 4.190 3.310 2.904 3.783 . 0 0 "[ . 1 . 2]" 2
536 1 35 ARG HB3 1 67 CYS HB2 . . 4.550 4.279 3.697 4.563 0.013 16 0 "[ . 1 . 2]" 2
537 1 35 ARG QG 1 67 CYS HB3 . . 4.180 3.002 2.761 3.826 . 0 0 "[ . 1 . 2]" 2
538 1 35 ARG HA 1 35 ARG QG . . 3.620 2.398 2.165 2.558 . 0 0 "[ . 1 . 2]" 2
539 1 35 ARG HA 1 35 ARG HD3 . . 4.260 3.068 2.466 3.901 . 0 0 "[ . 1 . 2]" 2
540 1 35 ARG HD3 1 67 CYS HB3 . . 4.720 4.285 3.731 4.733 0.013 11 0 "[ . 1 . 2]" 2
541 1 35 ARG HD3 1 63 ILE MG . . 4.740 4.512 3.814 4.745 0.005 2 0 "[ . 1 . 2]" 2
542 1 35 ARG HD2 1 67 CYS HB3 . . 4.720 3.927 2.192 4.717 . 0 0 "[ . 1 . 2]" 2
543 1 35 ARG HA 1 35 ARG HD2 . . 4.260 3.847 2.538 4.298 0.038 6 0 "[ . 1 . 2]" 2
544 1 36 CYS H 1 37 GLU HA . . 4.640 4.449 4.286 4.630 . 0 0 "[ . 1 . 2]" 2
545 1 37 GLU HA 1 37 GLU HG2 . . 2.980 2.551 2.235 2.785 . 0 0 "[ . 1 . 2]" 2
546 1 37 GLU HA 1 37 GLU HG3 . . 4.070 3.011 2.694 3.251 . 0 0 "[ . 1 . 2]" 2
547 1 38 GLU HA 1 38 GLU HG2 . . 4.220 2.494 2.162 3.624 . 0 0 "[ . 1 . 2]" 2
548 1 38 GLU HA 1 38 GLU HG3 . . 4.220 3.212 2.494 3.698 . 0 0 "[ . 1 . 2]" 2
549 1 38 GLU HG2 1 40 PHE QE . . 4.920 4.702 3.766 4.932 0.012 6 0 "[ . 1 . 2]" 2
550 1 38 GLU H 1 38 GLU HG2 . . 4.640 3.970 3.299 4.537 . 0 0 "[ . 1 . 2]" 2
551 1 38 GLU HG2 1 39 TRP H . . 4.690 3.865 3.278 4.700 0.010 6 0 "[ . 1 . 2]" 2
552 1 38 GLU HG3 1 39 TRP H . . 4.690 4.464 3.382 4.685 . 0 0 "[ . 1 . 2]" 2
553 1 38 GLU HG3 1 40 PHE QE . . 4.920 4.219 3.666 4.586 . 0 0 "[ . 1 . 2]" 2
554 1 31 ILE MD 1 40 PHE HB2 . . 4.380 2.666 2.030 3.004 . 0 0 "[ . 1 . 2]" 2
555 1 40 PHE H 1 40 PHE HB2 . . 4.120 2.770 2.560 2.866 . 0 0 "[ . 1 . 2]" 2
556 1 40 PHE H 1 40 PHE HB3 . . 4.120 3.817 3.730 3.890 . 0 0 "[ . 1 . 2]" 2
557 1 40 PHE HA 1 40 PHE QD . . 4.400 2.703 2.135 2.900 . 0 0 "[ . 1 . 2]" 2
558 1 41 HIS HB2 1 42 GLY H . . 4.990 4.216 4.143 4.355 . 0 0 "[ . 1 . 2]" 2
559 1 29 PHE QD 1 42 GLY HA3 . . 3.500 2.630 2.210 3.068 . 0 0 "[ . 1 . 2]" 2
560 1 42 GLY HA3 1 47 ILE MG . . 4.430 3.567 3.182 4.155 . 0 0 "[ . 1 . 2]" 2
561 1 42 GLY HA2 1 45 VAL MG2 . . 3.520 2.364 2.080 2.571 . 0 0 "[ . 1 . 2]" 2
562 1 29 PHE QD 1 42 GLY HA2 . . 3.690 3.540 2.982 3.682 . 0 0 "[ . 1 . 2]" 2
563 1 44 CYS HA 1 45 VAL MG1 . . 5.360 4.789 4.552 4.929 . 0 0 "[ . 1 . 2]" 2
564 1 44 CYS HA 1 45 VAL MG2 . . 5.500 5.031 4.974 5.078 . 0 0 "[ . 1 . 2]" 2
565 1 20 ILE MD 1 44 CYS HB2 . . 5.070 4.808 4.411 5.074 0.004 17 0 "[ . 1 . 2]" 2
566 1 44 CYS HB2 1 45 VAL MG1 . . 4.050 3.439 3.189 3.646 . 0 0 "[ . 1 . 2]" 2
567 1 44 CYS HB2 1 45 VAL MG2 . . 4.500 3.767 3.461 4.043 . 0 0 "[ . 1 . 2]" 2
568 1 44 CYS HB3 1 45 VAL MG1 . . 4.000 3.229 2.936 3.486 . 0 0 "[ . 1 . 2]" 2
569 1 20 ILE HG12 1 44 CYS HB3 . . 4.560 3.544 3.278 3.763 . 0 0 "[ . 1 . 2]" 2
570 1 20 ILE HG13 1 21 CYS HB3 . . 4.650 3.210 3.080 3.349 . 0 0 "[ . 1 . 2]" 2
571 1 44 CYS HB3 1 45 VAL H . . 4.180 3.093 2.759 3.291 . 0 0 "[ . 1 . 2]" 2
572 1 45 VAL HB 1 65 PRO QG . . 4.070 2.793 2.646 3.017 . 0 0 "[ . 1 . 2]" 2
573 1 20 ILE MG 1 45 VAL MG1 . . 4.430 3.821 3.529 4.005 . 0 0 "[ . 1 . 2]" 2
574 1 20 ILE HG12 1 45 VAL MG1 . . 5.070 3.798 3.508 4.135 . 0 0 "[ . 1 . 2]" 2
575 1 40 PHE HB3 1 45 VAL MG1 . . 3.300 2.006 1.831 2.213 . 0 0 "[ . 1 . 2]" 2
576 1 45 VAL MG1 1 65 PRO HD2 . . 3.960 2.167 1.965 2.330 . 0 0 "[ . 1 . 2]" 2
577 1 45 VAL HA 1 45 VAL MG1 . . 3.390 2.277 2.166 2.394 . 0 0 "[ . 1 . 2]" 2
578 1 45 VAL H 1 45 VAL MG1 . . 4.180 2.551 2.223 2.740 . 0 0 "[ . 1 . 2]" 2
579 1 40 PHE QD 1 45 VAL MG1 . . 3.860 2.821 2.566 2.973 . 0 0 "[ . 1 . 2]" 2
580 1 42 GLY HA3 1 45 VAL MG2 . . 4.030 3.726 3.434 3.953 . 0 0 "[ . 1 . 2]" 2
581 1 42 GLY HA2 1 47 ILE HB . . 3.900 2.188 1.983 2.651 . 0 0 "[ . 1 . 2]" 2
582 1 42 GLY HA3 1 47 ILE HB . . 3.800 3.472 3.270 3.810 0.010 15 0 "[ . 1 . 2]" 2
583 1 29 PHE QE 1 47 ILE HB . . 4.600 4.071 3.691 4.498 . 0 0 "[ . 1 . 2]" 2
584 1 47 ILE H 1 47 ILE MG . . 4.310 3.780 3.771 3.790 . 0 0 "[ . 1 . 2]" 2
585 1 29 PHE QE 1 47 ILE MG . . 3.300 2.272 1.959 2.903 . 0 0 "[ . 1 . 2]" 2
586 1 47 ILE HA 1 47 ILE MG . . 3.320 2.392 2.304 2.480 . 0 0 "[ . 1 . 2]" 2
587 1 47 ILE MG 1 52 GLY HA3 . . 3.430 2.949 2.322 3.357 . 0 0 "[ . 1 . 2]" 2
588 1 47 ILE MG 1 51 ARG HB2 . . 3.580 3.144 2.459 3.612 0.032 15 0 "[ . 1 . 2]" 2
589 1 47 ILE MG 1 51 ARG HB3 . . 3.850 2.307 2.042 2.712 . 0 0 "[ . 1 . 2]" 2
590 1 31 ILE MD 1 47 ILE MD . . 5.320 4.419 3.858 4.848 . 0 0 "[ . 1 . 2]" 2
591 1 47 ILE MD 1 51 ARG HB3 . . 4.450 3.097 2.661 3.495 . 0 0 "[ . 1 . 2]" 2
592 1 47 ILE MD 1 51 ARG HB2 . . 4.360 3.961 3.390 4.368 0.008 9 0 "[ . 1 . 2]" 2
593 1 47 ILE MD 1 51 ARG HD3 . . 5.500 4.275 3.240 5.305 . 0 0 "[ . 1 . 2]" 2
594 1 47 ILE MD 1 52 GLY HA2 . . 5.100 4.388 3.759 4.931 . 0 0 "[ . 1 . 2]" 2
595 1 47 ILE HA 1 47 ILE MD . . 3.530 2.053 1.939 2.237 . 0 0 "[ . 1 . 2]" 2
596 1 47 ILE MD 1 62 TYR QD . . 4.120 3.096 2.043 4.129 0.009 2 0 "[ . 1 . 2]" 2
597 1 47 ILE MD 1 48 SER H . . 4.900 3.341 3.162 3.569 . 0 0 "[ . 1 . 2]" 2
598 1 47 ILE H 1 47 ILE MD . . 5.150 3.148 2.892 3.363 . 0 0 "[ . 1 . 2]" 2
599 1 49 GLU HA 1 49 GLU QG . . 3.430 2.292 2.190 2.378 . 0 0 "[ . 1 . 2]" 2
600 1 29 PHE HZ 1 49 GLU HA . . 5.010 4.609 3.622 4.972 . 0 0 "[ . 1 . 2]" 2
601 1 29 PHE QE 1 49 GLU HA . . 3.920 3.671 3.244 3.924 0.004 11 0 "[ . 1 . 2]" 2
602 1 29 PHE QD 1 49 GLU HB2 . . 4.710 4.454 4.089 4.696 . 0 0 "[ . 1 . 2]" 2
603 1 29 PHE QD 1 49 GLU QG . . 4.000 3.264 2.314 3.664 . 0 0 "[ . 1 . 2]" 2
604 1 49 GLU QG 1 50 ALA H . . 4.600 4.010 3.582 4.309 . 0 0 "[ . 1 . 2]" 2
605 1 49 GLU QG 1 50 ALA HA . . 4.900 4.367 3.924 4.899 . 0 0 "[ . 1 . 2]" 2
606 1 50 ALA HA 1 53 ARG QG . . 4.750 3.313 2.828 3.877 . 0 0 "[ . 1 . 2]" 2
607 1 50 ALA HA 1 53 ARG HB2 . . 4.190 2.552 2.195 2.957 . 0 0 "[ . 1 . 2]" 2
608 1 50 ALA HA 1 53 ARG HB3 . . 4.400 3.977 3.512 4.403 0.003 8 0 "[ . 1 . 2]" 2
609 1 50 ALA HA 1 53 ARG H . . 3.990 3.782 3.377 3.986 . 0 0 "[ . 1 . 2]" 2
610 1 49 GLU HB3 1 50 ALA MB . . 4.190 3.771 3.506 4.056 . 0 0 "[ . 1 . 2]" 2
611 1 50 ALA MB 1 51 ARG HA . . 4.470 3.727 3.602 3.870 . 0 0 "[ . 1 . 2]" 2
612 1 51 ARG HA 1 51 ARG HD2 . . 3.810 3.176 2.029 3.879 0.069 12 0 "[ . 1 . 2]" 2
613 1 51 ARG HB3 1 51 ARG HD2 . . 3.920 3.064 2.156 3.913 . 0 0 "[ . 1 . 2]" 2
614 1 47 ILE MD 1 51 ARG HD2 . . 5.500 3.913 1.970 5.351 . 0 0 "[ . 1 . 2]" 2
615 1 51 ARG HA 1 51 ARG HD3 . . 3.810 2.962 2.007 3.481 . 0 0 "[ . 1 . 2]" 2
616 1 47 ILE MG 1 52 GLY HA2 . . 3.990 3.200 2.568 3.701 . 0 0 "[ . 1 . 2]" 2
617 1 51 ARG HB3 1 52 GLY HA3 . . 4.510 4.285 4.059 4.523 0.013 8 0 "[ . 1 . 2]" 2
618 1 52 GLY HA3 1 55 LEU HG . . 4.880 4.586 3.434 4.890 0.010 4 0 "[ . 1 . 2]" 2
619 1 52 GLY HA2 1 55 LEU HG . . 4.140 3.069 2.278 3.405 . 0 0 "[ . 1 . 2]" 2
620 1 52 GLY HA2 1 55 LEU HB2 . . 4.620 2.731 1.991 4.006 . 0 0 "[ . 1 . 2]" 2
621 1 29 PHE HZ 1 52 GLY HA2 . . 4.220 3.727 3.179 4.212 . 0 0 "[ . 1 . 2]" 2
622 1 53 ARG HA 1 53 ARG QG . . 3.220 2.423 2.334 2.570 . 0 0 "[ . 1 . 2]" 2
623 1 53 ARG HB2 1 54 LEU H . . 4.270 2.695 2.499 2.875 . 0 0 "[ . 1 . 2]" 2
624 1 53 ARG HA 1 53 ARG HD2 . . 3.990 3.643 3.186 4.061 0.071 13 0 "[ . 1 . 2]" 2
625 1 53 ARG HA 1 53 ARG HD3 . . 3.990 2.503 2.112 3.264 . 0 0 "[ . 1 . 2]" 2
626 1 53 ARG HB2 1 53 ARG HD3 . . 3.860 3.699 3.403 3.872 0.012 6 0 "[ . 1 . 2]" 2
627 1 54 LEU HA 1 57 ARG H . . 3.720 3.508 3.341 3.696 . 0 0 "[ . 1 . 2]" 2
628 1 54 LEU MD1 1 57 ARG QD . . 4.450 4.414 4.322 4.466 0.016 4 0 "[ . 1 . 2]" 2
629 1 54 LEU MD2 1 58 ASN HD22 . . 4.450 2.635 1.945 3.509 . 0 0 "[ . 1 . 2]" 2
630 1 55 LEU HB3 1 56 GLU H . . 4.140 3.810 3.529 4.008 . 0 0 "[ . 1 . 2]" 2
631 1 55 LEU HA 1 55 LEU HG . . 4.090 3.119 2.840 3.775 . 0 0 "[ . 1 . 2]" 2
632 1 55 LEU MD1 1 62 TYR QB . . 4.080 2.249 1.818 3.420 . 0 0 "[ . 1 . 2]" 2
633 1 55 LEU MD1 1 62 TYR HA . . 4.610 3.500 2.698 4.651 0.041 19 0 "[ . 1 . 2]" 2
634 1 55 LEU MD1 1 62 TYR QD . . 4.900 2.792 1.927 4.416 . 0 0 "[ . 1 . 2]" 2
635 1 55 LEU MD2 1 62 TYR QD . . 4.900 3.735 1.965 4.894 . 0 0 "[ . 1 . 2]" 2
636 1 55 LEU H 1 55 LEU MD2 . . 4.300 3.428 3.027 3.754 . 0 0 "[ . 1 . 2]" 2
637 1 55 LEU MD2 1 62 TYR HA . . 4.610 3.598 2.868 4.175 . 0 0 "[ . 1 . 2]" 2
638 1 57 ARG HA 1 59 GLY H . . 4.620 4.526 4.294 4.632 0.012 4 0 "[ . 1 . 2]" 2
639 1 56 GLU HA 1 56 GLU HG3 . . 3.730 2.941 2.410 3.662 . 0 0 "[ . 1 . 2]" 2
640 1 64 CYS HB2 1 66 ASN H . . 4.630 3.751 3.698 3.791 . 0 0 "[ . 1 . 2]" 2
641 1 56 GLU HA 1 56 GLU HG2 . . 3.730 2.972 2.299 3.741 0.011 12 0 "[ . 1 . 2]" 2
642 1 56 GLU H 1 56 GLU HG2 . . 4.690 4.142 2.208 4.642 . 0 0 "[ . 1 . 2]" 2
643 1 56 GLU H 1 56 GLU HG3 . . 4.690 3.982 1.877 4.588 . 0 0 "[ . 1 . 2]" 2
644 1 54 LEU HA 1 57 ARG HG2 . . 3.980 2.233 1.998 3.085 . 0 0 "[ . 1 . 2]" 2
645 1 57 ARG HG2 1 58 ASN H . . 4.970 2.788 2.132 4.012 . 0 0 "[ . 1 . 2]" 2
646 1 54 LEU MD2 1 57 ARG QD . . 4.120 2.125 1.914 2.894 . 0 0 "[ . 1 . 2]" 2
647 1 57 ARG H 1 57 ARG QD . . 5.180 3.844 3.366 4.360 . 0 0 "[ . 1 . 2]" 2
648 1 57 ARG QD 1 58 ASN H . . 5.060 3.711 2.520 4.375 . 0 0 "[ . 1 . 2]" 2
649 1 54 LEU HA 1 57 ARG QD . . 4.410 2.806 2.039 4.041 . 0 0 "[ . 1 . 2]" 2
650 1 55 LEU HA 1 58 ASN HB2 . . 4.400 2.786 2.168 3.201 . 0 0 "[ . 1 . 2]" 2
651 1 55 LEU HA 1 58 ASN HB3 . . 4.400 4.107 3.373 4.400 . 0 0 "[ . 1 . 2]" 2
652 1 55 LEU HA 1 60 GLU HB3 . . 4.640 4.148 3.641 4.564 . 0 0 "[ . 1 . 2]" 2
653 1 60 GLU H 1 60 GLU HB3 . . 3.850 3.590 3.542 3.645 . 0 0 "[ . 1 . 2]" 2
654 1 60 GLU HB3 1 61 ASP H . . 4.070 2.555 1.952 3.471 . 0 0 "[ . 1 . 2]" 2
655 1 60 GLU HB2 1 61 ASP H . . 4.510 3.844 3.366 4.423 . 0 0 "[ . 1 . 2]" 2
656 1 55 LEU HA 1 60 GLU HB2 . . 3.780 2.527 2.011 3.034 . 0 0 "[ . 1 . 2]" 2
657 1 58 ASN HB3 1 60 GLU QG . . 3.620 2.870 2.426 3.264 . 0 0 "[ . 1 . 2]" 2
658 1 58 ASN HB2 1 60 GLU QG . . 3.620 3.372 2.895 3.623 0.003 19 0 "[ . 1 . 2]" 2
659 1 55 LEU HA 1 60 GLU QG . . 4.390 3.645 2.938 4.273 . 0 0 "[ . 1 . 2]" 2
660 1 60 GLU QG 1 61 ASP H . . 4.340 3.859 3.378 4.348 0.008 20 0 "[ . 1 . 2]" 2
661 1 61 ASP QB 1 62 TYR H . . 3.680 3.493 3.009 3.687 0.007 20 0 "[ . 1 . 2]" 2
662 1 61 ASP QB 1 63 ILE MD . . 4.100 3.022 2.604 3.385 . 0 0 "[ . 1 . 2]" 2
663 1 62 TYR H 1 62 TYR QB . . 3.730 2.464 2.104 3.028 . 0 0 "[ . 1 . 2]" 2
664 1 31 ILE MG 1 62 TYR QB . . 4.410 4.225 3.904 4.432 0.022 18 0 "[ . 1 . 2]" 2
665 1 31 ILE HG13 1 62 TYR QB . . 4.060 3.618 3.277 4.061 0.001 6 0 "[ . 1 . 2]" 2
666 1 62 TYR HA 1 62 TYR QD . . 3.730 3.246 2.575 3.697 . 0 0 "[ . 1 . 2]" 2
667 1 33 CYS HA 1 62 TYR QD . . 3.710 2.601 1.996 3.450 . 0 0 "[ . 1 . 2]" 2
668 1 62 TYR HA 1 63 ILE HB . . 4.800 4.620 4.519 4.741 . 0 0 "[ . 1 . 2]" 2
669 1 63 ILE HA 1 63 ILE HG13 . . 4.170 3.717 3.667 3.769 . 0 0 "[ . 1 . 2]" 2
670 1 63 ILE H 1 63 ILE HG13 . . 4.220 4.015 3.604 4.250 0.030 15 0 "[ . 1 . 2]" 2
671 1 62 TYR HA 1 63 ILE HG12 . . 5.040 3.909 3.519 4.668 . 0 0 "[ . 1 . 2]" 2
672 1 63 ILE HA 1 63 ILE HG12 . . 4.050 3.030 2.917 3.186 . 0 0 "[ . 1 . 2]" 2
673 1 61 ASP QB 1 63 ILE HG12 . . 4.230 3.445 2.467 4.007 . 0 0 "[ . 1 . 2]" 2
674 1 35 ARG QG 1 63 ILE HG12 . . 4.930 4.700 4.509 4.960 0.030 19 0 "[ . 1 . 2]" 2
675 1 63 ILE HG12 1 63 ILE MG . . 3.500 3.184 3.176 3.189 . 0 0 "[ . 1 . 2]" 2
676 1 35 ARG QG 1 63 ILE MG . . 3.680 2.193 1.991 2.760 . 0 0 "[ . 1 . 2]" 2
677 1 35 ARG HB2 1 63 ILE MG . . 4.700 3.133 2.536 3.411 . 0 0 "[ . 1 . 2]" 2
678 1 35 ARG HD2 1 63 ILE MG . . 4.740 3.940 3.409 4.735 . 0 0 "[ . 1 . 2]" 2
679 1 63 ILE MG 1 68 THR HA . . 4.090 4.068 3.856 4.117 0.027 5 0 "[ . 1 . 2]" 2
680 1 63 ILE MG 1 65 PRO HA . . 5.500 4.576 4.466 4.661 . 0 0 "[ . 1 . 2]" 2
681 1 63 ILE HA 1 63 ILE MG . . 3.470 2.380 2.255 2.446 . 0 0 "[ . 1 . 2]" 2
682 1 34 ASP H 1 63 ILE MD . . 3.990 2.928 2.585 3.275 . 0 0 "[ . 1 . 2]" 2
683 1 35 ARG H 1 63 ILE MD . . 3.930 2.942 2.680 3.345 . 0 0 "[ . 1 . 2]" 2
684 1 63 ILE MD 1 64 CYS H . . 4.910 3.831 3.524 3.998 . 0 0 "[ . 1 . 2]" 2
685 1 63 ILE H 1 63 ILE MD . . 4.340 3.613 2.987 3.968 . 0 0 "[ . 1 . 2]" 2
686 1 63 ILE HA 1 63 ILE MD . . 3.520 2.008 1.945 2.137 . 0 0 "[ . 1 . 2]" 2
687 1 34 ASP HA 1 63 ILE MD . . 4.980 4.547 4.222 4.718 . 0 0 "[ . 1 . 2]" 2
688 1 35 ARG HA 1 63 ILE MD . . 5.380 4.039 3.403 4.323 . 0 0 "[ . 1 . 2]" 2
689 1 62 TYR HA 1 63 ILE MD . . 5.500 4.603 4.212 5.071 . 0 0 "[ . 1 . 2]" 2
690 1 33 CYS HB3 1 63 ILE MD . . 5.500 5.426 5.109 5.529 0.029 16 0 "[ . 1 . 2]" 2
691 1 35 ARG HD2 1 63 ILE MD . . 4.790 4.201 3.525 4.586 . 0 0 "[ . 1 . 2]" 2
692 1 35 ARG HD3 1 63 ILE MD . . 4.790 4.528 3.822 4.793 0.003 7 0 "[ . 1 . 2]" 2
693 1 62 TYR QB 1 63 ILE MD . . 5.400 5.031 4.634 5.385 . 0 0 "[ . 1 . 2]" 2
694 1 63 ILE MD 1 67 CYS HB2 . . 5.500 4.755 4.490 4.955 . 0 0 "[ . 1 . 2]" 2
695 1 34 ASP HB2 1 63 ILE MD . . 3.630 3.087 2.213 3.630 . 0 0 "[ . 1 . 2]" 2
696 1 34 ASP HB3 1 63 ILE MD . . 3.630 2.604 1.936 3.630 0.000 17 0 "[ . 1 . 2]" 2
697 1 35 ARG QG 1 63 ILE MD . . 3.630 2.163 1.899 2.397 . 0 0 "[ . 1 . 2]" 2
698 1 63 ILE HB 1 63 ILE MD . . 3.610 3.223 3.215 3.230 . 0 0 "[ . 1 . 2]" 2
699 1 64 CYS HA 1 65 PRO QG . . 4.160 4.035 4.020 4.058 . 0 0 "[ . 1 . 2]" 2
700 1 40 PHE QE 1 64 CYS HB2 . . 4.500 3.844 3.738 3.968 . 0 0 "[ . 1 . 2]" 2
701 1 64 CYS HB3 1 65 PRO HD2 . . 4.070 3.586 3.558 3.599 . 0 0 "[ . 1 . 2]" 2
702 1 33 CYS HB3 1 64 CYS HB3 . . 4.200 4.112 3.830 4.209 0.009 17 0 "[ . 1 . 2]" 2
703 1 64 CYS HB3 1 65 PRO HD3 . . 4.780 4.558 4.542 4.565 . 0 0 "[ . 1 . 2]" 2
704 1 40 PHE QE 1 64 CYS HB3 . . 4.350 3.188 2.904 3.447 . 0 0 "[ . 1 . 2]" 2
705 1 65 PRO HA 1 68 THR H . . 4.470 3.519 3.247 3.668 . 0 0 "[ . 1 . 2]" 2
706 1 65 PRO HA 1 68 THR MG . . 4.620 4.640 4.539 4.676 0.056 7 0 "[ . 1 . 2]" 2
707 1 45 VAL MG1 1 65 PRO QG . . 3.860 2.788 2.551 3.008 . 0 0 "[ . 1 . 2]" 2
708 1 65 PRO QG 1 69 ILE MD . . 4.320 3.214 3.006 3.719 . 0 0 "[ . 1 . 2]" 2
709 1 45 VAL HA 1 65 PRO QG . . 4.790 2.174 1.955 2.358 . 0 0 "[ . 1 . 2]" 2
710 1 45 VAL HB 1 65 PRO HD3 . . 4.280 2.111 2.007 2.257 . 0 0 "[ . 1 . 2]" 2
711 1 66 ASN H 1 66 ASN HB3 . . 3.730 2.953 2.422 3.609 . 0 0 "[ . 1 . 2]" 2
712 1 66 ASN HB3 1 67 CYS H . . 4.130 3.192 2.871 4.118 . 0 0 "[ . 1 . 2]" 2
713 1 63 ILE MG 1 67 CYS HA . . 5.300 4.959 4.678 5.099 . 0 0 "[ . 1 . 2]" 2
714 1 67 CYS HA 1 70 LEU MD1 . . 3.700 3.013 2.119 3.462 . 0 0 "[ . 1 . 2]" 2
715 1 67 CYS HA 1 70 LEU HB2 . . 4.060 3.735 3.220 4.067 0.007 1 0 "[ . 1 . 2]" 2
716 1 64 CYS H 1 67 CYS HB2 . . 4.370 4.180 4.134 4.208 . 0 0 "[ . 1 . 2]" 2
717 1 68 THR HA 1 68 THR MG . . 3.350 2.329 2.235 2.439 . 0 0 "[ . 1 . 2]" 2
718 1 63 ILE MG 1 68 THR HB . . 4.740 4.067 3.841 4.318 . 0 0 "[ . 1 . 2]" 2
719 1 68 THR H 1 68 THR MG . . 3.990 3.756 3.744 3.766 . 0 0 "[ . 1 . 2]" 2
720 1 63 ILE HB 1 68 THR MG . . 5.500 5.329 4.974 5.515 0.015 8 0 "[ . 1 . 2]" 2
721 1 63 ILE MG 1 68 THR MG . . 4.020 3.890 3.687 4.038 0.018 16 0 "[ . 1 . 2]" 2
722 1 68 THR MG 1 69 ILE HA . . 4.130 3.727 3.605 3.894 . 0 0 "[ . 1 . 2]" 2
723 1 69 ILE HA 1 69 ILE HG13 . . 4.030 2.806 2.372 3.009 . 0 0 "[ . 1 . 2]" 2
724 1 66 ASN HA 1 69 ILE HB . . 4.310 2.746 2.649 3.034 . 0 0 "[ . 1 . 2]" 2
725 1 20 ILE HG12 1 22 ARG H . . 5.500 5.292 5.092 5.431 . 0 0 "[ . 1 . 2]" 2
726 1 69 ILE HG12 1 70 LEU H . . 5.500 5.073 4.943 5.156 . 0 0 "[ . 1 . 2]" 2
727 1 69 ILE HA 1 69 ILE HG12 . . 4.030 2.569 2.355 3.617 . 0 0 "[ . 1 . 2]" 2
728 1 69 ILE H 1 69 ILE MG . . 3.970 3.774 3.751 3.789 . 0 0 "[ . 1 . 2]" 2
729 1 66 ASN HA 1 69 ILE MG . . 4.730 3.738 3.602 3.928 . 0 0 "[ . 1 . 2]" 2
730 1 69 ILE MG 1 70 LEU HA . . 4.060 3.215 3.054 3.396 . 0 0 "[ . 1 . 2]" 2
731 1 69 ILE MG 1 70 LEU HG . . 4.100 3.366 2.998 3.755 . 0 0 "[ . 1 . 2]" 2
732 1 69 ILE HG13 1 69 ILE MG . . 3.440 3.156 2.399 3.203 . 0 0 "[ . 1 . 2]" 2
733 1 69 ILE HB 1 69 ILE MD . . 3.400 2.378 2.265 2.439 . 0 0 "[ . 1 . 2]" 2
734 1 69 ILE HA 1 69 ILE MD . . 4.010 3.751 2.651 3.861 . 0 0 "[ . 1 . 2]" 2
735 1 66 ASN HA 1 69 ILE MD . . 4.170 2.509 2.044 3.976 . 0 0 "[ . 1 . 2]" 2
736 1 70 LEU HA 1 70 LEU MD1 . . 4.540 3.912 3.867 3.942 . 0 0 "[ . 1 . 2]" 2
737 1 55 LEU MD2 1 56 GLU H . . 5.310 4.626 3.691 4.950 . 0 0 "[ . 1 . 2]" 2
738 1 31 ILE H 1 32 CYS HA . . 5.500 4.777 4.690 4.977 . 0 0 "[ . 1 . 2]" 2
739 1 32 CYS HA 1 40 PHE H . . 5.500 4.560 3.624 5.151 . 0 0 "[ . 1 . 2]" 2
740 1 18 TYR QD 1 39 TRP HB3 . . 4.500 4.408 4.054 4.516 0.016 9 0 "[ . 1 . 2]" 2
741 1 18 TYR QD 1 39 TRP HB2 . . 3.740 3.032 2.694 3.438 . 0 0 "[ . 1 . 2]" 2
742 1 17 LEU HA 1 18 TYR QD . . 4.810 4.470 3.804 4.735 . 0 0 "[ . 1 . 2]" 2
743 1 18 TYR HA 1 18 TYR QD . . 3.700 2.398 2.163 2.821 . 0 0 "[ . 1 . 2]" 2
744 1 16 ALA MB 1 18 TYR QE . . 4.030 3.723 2.691 4.033 0.003 8 0 "[ . 1 . 2]" 2
745 1 18 TYR QE 1 39 TRP HB2 . . 4.680 4.523 4.286 4.672 . 0 0 "[ . 1 . 2]" 2
746 1 18 TYR QE 1 25 HIS QB . . 4.330 3.874 3.508 4.141 . 0 0 "[ . 1 . 2]" 2
747 1 18 TYR QE 1 39 TRP HD1 . . 4.200 3.337 2.898 3.787 . 0 0 "[ . 1 . 2]" 2
748 1 17 LEU MD2 1 24 PRO HA . . 5.500 4.529 4.110 4.864 . 0 0 "[ . 1 . 2]" 2
749 1 17 LEU HA 1 24 PRO HA . . 4.250 3.934 3.450 4.199 . 0 0 "[ . 1 . 2]" 2
750 1 18 TYR QD 1 24 PRO HA . . 4.180 3.441 2.956 3.690 . 0 0 "[ . 1 . 2]" 2
751 1 25 HIS HA 1 25 HIS HD2 . . 3.940 3.083 2.664 3.673 . 0 0 "[ . 1 . 2]" 2
752 1 25 HIS HA 1 41 HIS HD2 . . 4.380 4.290 4.004 4.391 0.011 19 0 "[ . 1 . 2]" 2
753 1 18 TYR QD 1 25 HIS QB . . 4.740 3.316 2.863 3.620 . 0 0 "[ . 1 . 2]" 2
754 1 29 PHE QE 1 49 GLU QG . . 5.040 4.218 3.067 4.501 . 0 0 "[ . 1 . 2]" 2
755 1 29 PHE QE 1 53 ARG QG . . 5.500 3.538 2.213 4.580 . 0 0 "[ . 1 . 2]" 2
756 1 29 PHE HA 1 29 PHE QE . . 5.130 4.611 4.455 4.895 . 0 0 "[ . 1 . 2]" 2
757 1 29 PHE QE 1 31 ILE HA . . 5.430 4.608 4.355 4.931 . 0 0 "[ . 1 . 2]" 2
758 1 29 PHE QE 1 42 GLY HA3 . . 5.080 4.246 3.488 4.984 . 0 0 "[ . 1 . 2]" 2
759 1 29 PHE QE 1 53 ARG HA . . 5.460 4.206 2.996 5.095 . 0 0 "[ . 1 . 2]" 2
760 1 29 PHE HZ 1 47 ILE MG . . 4.630 4.006 3.715 4.273 . 0 0 "[ . 1 . 2]" 2
761 1 29 PHE HZ 1 31 ILE HB . . 4.480 4.319 4.138 4.488 0.008 18 0 "[ . 1 . 2]" 2
762 1 29 PHE HZ 1 52 GLY HA3 . . 3.770 2.297 1.991 2.688 . 0 0 "[ . 1 . 2]" 2
763 1 31 ILE HG13 1 62 TYR QD . . 4.340 2.715 1.984 3.466 . 0 0 "[ . 1 . 2]" 2
764 1 31 ILE HG12 1 62 TYR QB . . 4.760 4.534 4.068 4.770 0.010 5 0 "[ . 1 . 2]" 2
765 1 31 ILE HG12 1 62 TYR QD . . 4.810 2.951 2.471 3.417 . 0 0 "[ . 1 . 2]" 2
766 1 38 GLU H 1 38 GLU HB3 . . 4.130 3.615 3.570 3.712 . 0 0 "[ . 1 . 2]" 2
767 1 38 GLU HB3 1 40 PHE QE . . 4.190 3.118 2.922 3.852 . 0 0 "[ . 1 . 2]" 2
768 1 38 GLU HB2 1 40 PHE QE . . 4.080 2.563 2.274 3.314 . 0 0 "[ . 1 . 2]" 2
769 1 38 GLU HB2 1 39 TRP H . . 4.700 3.753 3.543 4.152 . 0 0 "[ . 1 . 2]" 2
770 1 38 GLU HA 1 39 TRP HD1 . . 4.880 4.043 3.715 4.570 . 0 0 "[ . 1 . 2]" 2
771 1 39 TRP HB3 1 39 TRP HE3 . . 3.940 2.738 2.639 2.909 . 0 0 "[ . 1 . 2]" 2
772 1 32 CYS HA 1 39 TRP HE3 . . 5.220 3.951 3.484 4.274 . 0 0 "[ . 1 . 2]" 2
773 1 31 ILE H 1 39 TRP HE3 . . 4.510 2.877 2.403 3.366 . 0 0 "[ . 1 . 2]" 2
774 1 30 MET HB2 1 39 TRP HZ3 . . 5.090 3.887 3.393 4.677 . 0 0 "[ . 1 . 2]" 2
775 1 30 MET HB3 1 39 TRP HZ3 . . 5.090 3.675 3.061 4.266 . 0 0 "[ . 1 . 2]" 2
776 1 31 ILE HA 1 39 TRP HZ3 . . 4.100 2.395 2.002 2.885 . 0 0 "[ . 1 . 2]" 2
777 1 38 GLU HB3 1 40 PHE HZ . . 4.200 2.920 2.567 4.205 0.005 6 0 "[ . 1 . 2]" 2
778 1 38 GLU HB2 1 40 PHE HZ . . 4.120 2.119 1.993 2.903 . 0 0 "[ . 1 . 2]" 2
779 1 28 ARG HB3 1 41 HIS HD2 . . 3.990 3.485 2.420 3.987 . 0 0 "[ . 1 . 2]" 2
780 1 28 ARG HB2 1 41 HIS HD2 . . 3.990 2.710 2.029 3.250 . 0 0 "[ . 1 . 2]" 2
781 1 41 HIS HA 1 41 HIS HD2 . . 4.680 2.709 2.593 2.915 . 0 0 "[ . 1 . 2]" 2
782 1 41 HIS H 1 44 CYS HB3 . . 5.370 3.713 3.475 4.030 . 0 0 "[ . 1 . 2]" 2
783 1 54 LEU HA 1 57 ARG HG3 . . 3.980 2.930 2.061 3.990 0.010 19 0 "[ . 1 . 2]" 2
784 1 54 LEU HG 1 55 LEU H . . 4.630 4.560 4.254 4.708 0.078 4 0 "[ . 1 . 2]" 2
785 1 68 THR MG 1 69 ILE HB . . 5.500 5.418 5.272 5.493 . 0 0 "[ . 1 . 2]" 2
786 1 67 CYS HA 1 70 LEU HG . . 4.550 4.265 3.721 4.593 0.043 18 0 "[ . 1 . 2]" 2
787 1 70 LEU HA 1 70 LEU HG . . 3.990 2.968 2.831 3.114 . 0 0 "[ . 1 . 2]" 2
788 1 23 GLN HB2 1 41 HIS HE1 . . 3.320 2.050 1.991 2.331 . 0 0 "[ . 1 . 2]" 2
789 1 23 GLN HB3 1 41 HIS HE1 . . 3.310 2.932 2.625 3.213 . 0 0 "[ . 1 . 2]" 2
790 1 23 GLN QG 1 41 HIS HE1 . . 4.500 3.802 3.381 4.200 . 0 0 "[ . 1 . 2]" 2
791 1 23 GLN H 1 41 HIS HE1 . . 4.180 3.942 3.624 4.182 0.002 13 0 "[ . 1 . 2]" 2
792 1 45 VAL MG1 1 65 PRO HD3 . . 4.080 3.335 3.236 3.439 . 0 0 "[ . 1 . 2]" 2
793 1 45 VAL MG2 1 65 PRO HD3 . . 4.540 3.622 3.496 3.798 . 0 0 "[ . 1 . 2]" 2
794 1 28 ARG HD2 1 28 ARG QH1 . . 4.120 2.500 1.886 3.430 . 0 0 "[ . 1 . 2]" 2
795 1 28 ARG HD3 1 28 ARG QH1 . . 4.120 2.587 1.900 3.432 . 0 0 "[ . 1 . 2]" 2
796 1 33 CYS HB3 1 38 GLU HB2 . . 4.110 3.991 3.531 4.173 0.063 6 0 "[ . 1 . 2]" 2
797 1 18 TYR HB2 1 39 TRP HB2 . . 4.830 3.579 3.142 4.005 . 0 0 "[ . 1 . 2]" 2
798 1 29 PHE H 1 42 GLY HA3 . . 5.500 5.104 4.411 5.507 0.007 17 0 "[ . 1 . 2]" 2
799 1 42 GLY HA3 1 47 ILE H . . 5.500 5.048 4.863 5.214 . 0 0 "[ . 1 . 2]" 2
800 1 20 ILE MD 1 44 CYS HA . . 5.180 4.813 4.424 5.128 . 0 0 "[ . 1 . 2]" 2
801 1 50 ALA MB 1 51 ARG HB2 . . 4.810 4.183 4.027 4.362 . 0 0 "[ . 1 . 2]" 2
802 1 55 LEU HB2 1 55 LEU MD2 . . 3.510 3.045 2.530 3.191 . 0 0 "[ . 1 . 2]" 2
803 1 54 LEU MD2 1 57 ARG HB3 . . 5.500 4.649 3.873 4.916 . 0 0 "[ . 1 . 2]" 2
804 1 54 LEU MD2 1 57 ARG HB2 . . 5.500 4.677 3.946 5.159 . 0 0 "[ . 1 . 2]" 2
805 1 55 LEU HG 1 62 TYR QB . . 5.300 4.595 4.101 5.258 . 0 0 "[ . 1 . 2]" 2
806 1 58 ASN HB2 1 60 GLU HB2 . . 4.630 3.818 3.229 4.292 . 0 0 "[ . 1 . 2]" 2
807 1 60 GLU HB3 1 62 TYR QB . . 5.500 5.253 4.977 5.504 0.004 12 0 "[ . 1 . 2]" 2
808 1 58 ASN HB3 1 60 GLU HB2 . . 4.630 4.308 3.986 4.618 . 0 0 "[ . 1 . 2]" 2
809 1 61 ASP QB 1 63 ILE HG13 . . 4.950 4.428 3.745 4.939 . 0 0 "[ . 1 . 2]" 2
810 1 60 GLU HA 1 61 ASP QB . . 4.820 4.418 3.973 4.643 . 0 0 "[ . 1 . 2]" 2
811 1 67 CYS HA 1 70 LEU H . . 4.780 3.982 3.779 4.099 . 0 0 "[ . 1 . 2]" 2
812 1 30 MET QG 1 40 PHE H . . 5.500 4.697 3.439 5.494 . 0 0 "[ . 1 . 2]" 2
813 1 31 ILE H 1 31 ILE HG12 . . 5.500 3.252 2.948 3.571 . 0 0 "[ . 1 . 2]" 2
814 1 32 CYS HB2 1 39 TRP HH2 . . 5.320 3.291 2.339 4.614 . 0 0 "[ . 1 . 2]" 2
815 1 32 CYS HB3 1 33 CYS H . . 5.500 4.264 3.618 4.481 . 0 0 "[ . 1 . 2]" 2
816 1 55 LEU MD2 1 62 TYR QB . . 4.080 3.048 1.890 3.991 . 0 0 "[ . 1 . 2]" 2
817 1 47 ILE MD 1 62 TYR QB . . 4.440 3.149 2.110 4.162 . 0 0 "[ . 1 . 2]" 2
818 1 29 PHE QD 1 49 GLU HA . . 5.500 3.029 2.653 3.699 . 0 0 "[ . 1 . 2]" 2
819 1 29 PHE QE 1 42 GLY HA2 . . 5.120 4.288 3.718 4.951 . 0 0 "[ . 1 . 2]" 2
820 1 29 PHE QE 1 52 GLY HA2 . . 5.340 3.871 3.222 4.441 . 0 0 "[ . 1 . 2]" 2
821 1 29 PHE QE 1 52 GLY HA3 . . 4.700 2.458 1.993 3.061 . 0 0 "[ . 1 . 2]" 2
822 1 39 TRP HB2 1 40 PHE H . . 5.280 4.393 4.239 4.468 . 0 0 "[ . 1 . 2]" 2
823 1 16 ALA HA 1 17 LEU MD1 . . 5.360 5.083 4.739 5.337 . 0 0 "[ . 1 . 2]" 2
824 1 13 ASP H 1 16 ALA MB . . 4.870 4.099 3.502 4.723 . 0 0 "[ . 1 . 2]" 2
825 1 18 TYR HB2 1 19 CYS HA . . 5.500 4.536 4.369 4.610 . 0 0 "[ . 1 . 2]" 2
826 1 20 ILE HG12 1 44 CYS HB2 . . 5.220 4.779 4.513 5.034 . 0 0 "[ . 1 . 2]" 2
827 1 23 GLN HA 1 24 PRO HG2 . . 5.060 4.483 4.440 4.528 . 0 0 "[ . 1 . 2]" 2
828 1 23 GLN HA 1 24 PRO HG3 . . 5.060 4.450 4.421 4.482 . 0 0 "[ . 1 . 2]" 2
829 1 18 TYR HB2 1 25 HIS QB . . 5.500 4.336 3.764 4.792 . 0 0 "[ . 1 . 2]" 2
830 1 25 HIS QB 1 30 MET QG . . 5.500 4.140 3.093 5.114 . 0 0 "[ . 1 . 2]" 2
831 1 33 CYS HB2 1 40 PHE HZ . . 5.310 4.838 4.326 5.122 . 0 0 "[ . 1 . 2]" 2
832 1 28 ARG H 1 28 ARG HD2 . . 4.840 3.660 1.870 4.728 . 0 0 "[ . 1 . 2]" 2
833 1 28 ARG H 1 28 ARG HD3 . . 4.840 4.197 2.678 4.848 0.008 4 0 "[ . 1 . 2]" 2
834 1 25 HIS HA 1 30 MET QG . . 5.120 3.929 3.002 4.640 . 0 0 "[ . 1 . 2]" 2
835 1 24 PRO HA 1 25 HIS QB . . 5.440 4.162 4.018 4.226 . 0 0 "[ . 1 . 2]" 2
836 1 19 CYS HB2 1 40 PHE QD . . 3.920 3.910 3.755 3.966 0.046 15 0 "[ . 1 . 2]" 2
837 1 19 CYS HB2 1 21 CYS H . . 4.270 4.210 4.114 4.282 0.012 17 0 "[ . 1 . 2]" 2
838 1 19 CYS H 1 19 CYS HB2 . . 3.900 2.387 2.236 2.512 . 0 0 "[ . 1 . 2]" 2
839 1 19 CYS HB2 1 41 HIS H . . 3.730 3.341 2.566 3.607 . 0 0 "[ . 1 . 2]" 2
840 1 19 CYS HB2 1 20 ILE H . . 4.460 3.848 3.787 3.883 . 0 0 "[ . 1 . 2]" 2
841 1 18 TYR HB3 1 19 CYS HB2 . . 4.570 4.391 4.288 4.561 . 0 0 "[ . 1 . 2]" 2
842 1 19 CYS HB2 1 40 PHE HA . . 3.210 2.608 2.384 3.094 . 0 0 "[ . 1 . 2]" 2
843 1 20 ILE HB 1 21 CYS H . . 4.020 3.931 3.830 4.044 0.024 8 0 "[ . 1 . 2]" 2
844 1 20 ILE H 1 20 ILE HB . . 3.900 3.614 3.600 3.627 . 0 0 "[ . 1 . 2]" 2
845 1 43 ASP H 1 43 ASP HB3 . . 4.080 2.956 2.229 3.593 . 0 0 "[ . 1 . 2]" 2
846 1 9 CYS HB2 1 10 GLU H . . 4.880 3.980 2.582 4.540 . 0 0 "[ . 1 . 2]" 2
847 1 10 GLU QG 1 11 VAL H . . 4.890 3.281 1.953 4.280 . 0 0 "[ . 1 . 2]" 2
848 1 11 VAL HB 1 12 TYR H . . 4.420 4.032 2.757 4.559 0.139 10 0 "[ . 1 . 2]" 2
849 1 11 VAL MG1 1 12 TYR H . . 4.860 3.517 1.953 4.378 . 0 0 "[ . 1 . 2]" 2
850 1 13 ASP HB2 1 16 ALA HA . . 5.500 4.888 3.970 5.508 0.008 7 0 "[ . 1 . 2]" 2
851 1 15 ASN HB2 1 16 ALA HA . . 5.500 4.582 4.079 5.021 . 0 0 "[ . 1 . 2]" 2
852 1 13 ASP HB3 1 16 ALA HA . . 5.500 4.908 3.874 5.505 0.005 4 0 "[ . 1 . 2]" 2
853 1 15 ASN HB3 1 16 ALA HA . . 5.500 4.966 4.282 5.562 0.062 8 0 "[ . 1 . 2]" 2
854 1 17 LEU HA 1 18 TYR HB2 . . 4.840 4.361 4.253 4.469 . 0 0 "[ . 1 . 2]" 2
855 1 16 ALA MB 1 18 TYR QD . . 5.410 4.220 3.391 4.855 . 0 0 "[ . 1 . 2]" 2
856 1 18 TYR QD 1 25 HIS HA . . 4.870 4.684 4.298 4.882 0.012 17 0 "[ . 1 . 2]" 2
857 1 18 TYR QD 1 25 HIS H . . 4.440 3.665 3.201 4.386 . 0 0 "[ . 1 . 2]" 2
858 1 18 TYR QE 1 30 MET ME . . 5.400 4.984 3.811 5.397 . 0 0 "[ . 1 . 2]" 2
859 1 18 TYR QE 1 24 PRO HA . . 5.290 4.903 4.539 5.203 . 0 0 "[ . 1 . 2]" 2
860 1 18 TYR QE 1 39 TRP H . . 5.400 5.256 4.723 5.420 0.020 15 0 "[ . 1 . 2]" 2
861 1 18 TYR QE 1 25 HIS H . . 4.810 4.542 4.222 4.822 0.012 9 0 "[ . 1 . 2]" 2
862 1 19 CYS HB2 1 30 MET ME . . 5.060 3.056 2.500 4.310 . 0 0 "[ . 1 . 2]" 2
863 1 20 ILE HB 1 21 CYS HB3 . . 5.500 5.345 5.183 5.503 0.003 8 0 "[ . 1 . 2]" 2
864 1 20 ILE HG13 1 40 PHE QE . . 5.500 5.437 5.282 5.517 0.017 17 0 "[ . 1 . 2]" 2
865 1 20 ILE MG 1 66 ASN HD21 . . 4.960 3.259 1.898 4.338 . 0 0 "[ . 1 . 2]" 2
866 1 20 ILE MG 1 66 ASN HD22 . . 4.960 3.275 2.409 4.112 . 0 0 "[ . 1 . 2]" 2
867 1 20 ILE HG13 1 21 CYS HB2 . . 5.370 4.725 4.612 4.870 . 0 0 "[ . 1 . 2]" 2
868 1 22 ARG H 1 22 ARG HG2 . . 4.810 3.890 2.538 4.649 . 0 0 "[ . 1 . 2]" 2
869 1 17 LEU HB3 1 22 ARG HD2 . . 5.500 3.860 2.370 5.316 . 0 0 "[ . 1 . 2]" 2
870 1 17 LEU MD2 1 22 ARG HD2 . . 5.500 4.258 2.766 4.999 . 0 0 "[ . 1 . 2]" 2
871 1 17 LEU HB3 1 22 ARG HD3 . . 5.500 4.688 3.193 5.471 . 0 0 "[ . 1 . 2]" 2
872 1 17 LEU MD2 1 22 ARG HD3 . . 5.500 4.742 3.832 5.411 . 0 0 "[ . 1 . 2]" 2
873 1 17 LEU MD2 1 23 GLN HB3 . . 5.500 5.329 5.024 5.504 0.004 9 0 "[ . 1 . 2]" 2
874 1 21 CYS HA 1 23 GLN QG . . 4.960 4.343 4.206 4.446 . 0 0 "[ . 1 . 2]" 2
875 1 24 PRO HD2 1 26 ASN HD21 . . 5.500 4.650 3.624 5.279 . 0 0 "[ . 1 . 2]" 2
876 1 28 ARG HA 1 28 ARG HD2 . . 5.370 4.590 3.725 4.930 . 0 0 "[ . 1 . 2]" 2
877 1 29 PHE QD 1 31 ILE MD . . 5.500 4.129 3.753 4.515 . 0 0 "[ . 1 . 2]" 2
878 1 31 ILE MD 1 40 PHE QE . . 5.500 5.076 4.543 5.496 . 0 0 "[ . 1 . 2]" 2
879 1 29 PHE QE 1 30 MET H . . 5.260 3.968 3.468 5.245 . 0 0 "[ . 1 . 2]" 2
880 1 29 PHE HZ 1 49 GLU QG . . 5.500 5.273 4.211 5.514 0.014 20 0 "[ . 1 . 2]" 2
881 1 29 PHE HZ 1 31 ILE HA . . 4.980 4.499 4.156 4.986 0.006 12 0 "[ . 1 . 2]" 2
882 1 30 MET HA 1 30 MET ME . . 5.250 4.191 3.689 4.695 . 0 0 "[ . 1 . 2]" 2
883 1 31 ILE MD 1 62 TYR QE . . 4.300 3.304 2.315 4.090 . 0 0 "[ . 1 . 2]" 2
884 1 33 CYS HB2 1 34 ASP H . . 4.750 3.909 3.842 4.187 . 0 0 "[ . 1 . 2]" 2
885 1 35 ARG QG 1 67 CYS HB2 . . 4.880 3.955 3.643 4.496 . 0 0 "[ . 1 . 2]" 2
886 1 35 ARG H 1 35 ARG HD3 . . 5.500 4.959 4.622 5.445 . 0 0 "[ . 1 . 2]" 2
887 1 35 ARG H 1 35 ARG HD2 . . 5.500 5.310 4.735 5.535 0.035 16 0 "[ . 1 . 2]" 2
888 1 36 CYS HB2 1 37 GLU H . . 5.500 3.944 2.841 4.252 . 0 0 "[ . 1 . 2]" 2
889 1 36 CYS HB2 1 40 PHE HZ . . 5.500 3.655 2.362 4.061 . 0 0 "[ . 1 . 2]" 2
890 1 36 CYS HB3 1 37 GLU H . . 5.500 4.156 3.838 4.381 . 0 0 "[ . 1 . 2]" 2
891 1 36 CYS HB3 1 40 PHE HZ . . 5.500 4.140 2.130 4.662 . 0 0 "[ . 1 . 2]" 2
892 1 36 CYS HB3 1 38 GLU H . . 5.500 4.832 3.384 5.188 . 0 0 "[ . 1 . 2]" 2
893 1 38 GLU HG2 1 40 PHE HZ . . 4.570 4.250 2.915 4.570 . 0 0 "[ . 1 . 2]" 2
894 1 38 GLU HG3 1 40 PHE HZ . . 4.570 3.574 2.794 4.414 . 0 0 "[ . 1 . 2]" 2
895 1 18 TYR QD 1 39 TRP HD1 . . 5.160 3.035 2.555 3.516 . 0 0 "[ . 1 . 2]" 2
896 1 30 MET QG 1 39 TRP HE3 . . 5.410 4.196 3.900 4.694 . 0 0 "[ . 1 . 2]" 2
897 1 30 MET HA 1 39 TRP HE3 . . 5.500 4.131 3.900 4.545 . 0 0 "[ . 1 . 2]" 2
898 1 30 MET H 1 39 TRP HE3 . . 5.500 5.241 4.721 5.516 0.016 6 0 "[ . 1 . 2]" 2
899 1 31 ILE H 1 39 TRP HZ3 . . 5.160 3.843 3.121 4.441 . 0 0 "[ . 1 . 2]" 2
900 1 32 CYS HB3 1 39 TRP HH2 . . 5.320 4.009 2.790 5.343 0.023 6 0 "[ . 1 . 2]" 2
901 1 32 CYS HA 1 40 PHE QD . . 5.500 5.226 4.780 5.499 . 0 0 "[ . 1 . 2]" 2
902 1 40 PHE QD 1 64 CYS HA . . 5.500 4.986 4.608 5.286 . 0 0 "[ . 1 . 2]" 2
903 1 40 PHE QD 1 62 TYR QE . . 5.500 4.177 2.718 5.514 0.014 16 0 "[ . 1 . 2]" 2
904 1 44 CYS HA 1 45 VAL HA . . 4.940 4.641 4.590 4.696 . 0 0 "[ . 1 . 2]" 2
905 1 45 VAL HB 1 47 ILE H . . 4.380 3.581 3.446 3.672 . 0 0 "[ . 1 . 2]" 2
906 1 45 VAL MG1 1 47 ILE H . . 4.910 4.682 4.539 4.744 . 0 0 "[ . 1 . 2]" 2
907 1 41 HIS H 1 45 VAL MG1 . . 5.450 3.479 3.178 3.806 . 0 0 "[ . 1 . 2]" 2
908 1 20 ILE H 1 45 VAL MG1 . . 5.420 4.548 4.313 4.757 . 0 0 "[ . 1 . 2]" 2
909 1 47 ILE HG12 1 48 SER H . . 5.500 4.953 4.804 5.089 . 0 0 "[ . 1 . 2]" 2
910 1 47 ILE HG13 1 48 SER H . . 5.500 5.235 4.961 5.471 . 0 0 "[ . 1 . 2]" 2
911 1 45 VAL HB 1 47 ILE MD . . 5.180 4.747 4.508 5.106 . 0 0 "[ . 1 . 2]" 2
912 1 48 SER HA 1 49 GLU HB2 . . 4.670 4.471 4.363 4.540 . 0 0 "[ . 1 . 2]" 2
913 1 47 ILE HB 1 48 SER HA . . 5.500 4.908 4.671 5.050 . 0 0 "[ . 1 . 2]" 2
914 1 48 SER HA 1 49 GLU HB3 . . 5.500 5.160 5.054 5.266 . 0 0 "[ . 1 . 2]" 2
915 1 29 PHE HB3 1 49 GLU HB2 . . 5.140 3.924 3.465 4.420 . 0 0 "[ . 1 . 2]" 2
916 1 29 PHE HB3 1 49 GLU QG . . 4.940 3.594 2.733 4.806 . 0 0 "[ . 1 . 2]" 2
917 1 29 PHE HA 1 49 GLU QG . . 5.040 4.485 3.942 5.004 . 0 0 "[ . 1 . 2]" 2
918 1 49 GLU H 1 50 ALA MB . . 4.890 4.558 4.331 4.740 . 0 0 "[ . 1 . 2]" 2
919 1 50 ALA MB 1 52 GLY H . . 5.390 4.769 4.414 4.998 . 0 0 "[ . 1 . 2]" 2
920 1 47 ILE HA 1 51 ARG HB2 . . 4.480 3.852 3.464 4.301 . 0 0 "[ . 1 . 2]" 2
921 1 51 ARG H 1 51 ARG HG2 . . 5.070 3.877 3.042 4.675 . 0 0 "[ . 1 . 2]" 2
922 1 57 ARG HG3 1 58 ASN H . . 4.970 2.069 1.871 2.673 . 0 0 "[ . 1 . 2]" 2
923 1 52 GLY HA2 1 55 LEU HB3 . . 4.620 3.662 2.481 4.373 . 0 0 "[ . 1 . 2]" 2
924 1 55 LEU HG 1 56 GLU H . . 4.810 4.045 2.051 4.678 . 0 0 "[ . 1 . 2]" 2
925 1 63 ILE HB 1 67 CYS HB2 . . 5.500 5.390 5.070 5.522 0.022 18 0 "[ . 1 . 2]" 2
926 1 62 TYR H 1 63 ILE HG12 . . 5.150 4.799 4.551 5.027 . 0 0 "[ . 1 . 2]" 2
927 1 63 ILE HG12 1 64 CYS H . . 5.500 5.121 5.013 5.248 . 0 0 "[ . 1 . 2]" 2
928 1 35 ARG HE 1 63 ILE MG . . 5.500 4.620 2.375 5.504 0.004 16 0 "[ . 1 . 2]" 2
929 1 35 ARG H 1 63 ILE MG . . 4.660 4.075 3.704 4.591 . 0 0 "[ . 1 . 2]" 2
930 1 47 ILE H 1 64 CYS HA . . 5.500 5.519 5.490 5.548 0.048 17 0 "[ . 1 . 2]" 2
931 1 45 VAL MG1 1 64 CYS HA . . 5.500 3.601 3.325 3.797 . 0 0 "[ . 1 . 2]" 2
932 1 45 VAL MG2 1 64 CYS HA . . 5.500 3.906 3.795 4.156 . 0 0 "[ . 1 . 2]" 2
933 1 45 VAL MG1 1 64 CYS HB2 . . 5.190 2.255 1.988 2.521 . 0 0 "[ . 1 . 2]" 2
934 1 65 PRO HA 1 69 ILE MD . . 5.280 3.579 2.131 3.962 . 0 0 "[ . 1 . 2]" 2
935 1 65 PRO HA 1 69 ILE H . . 5.140 3.408 3.171 3.619 . 0 0 "[ . 1 . 2]" 2
936 1 47 ILE H 1 65 PRO HD3 . . 4.620 4.357 4.219 4.574 . 0 0 "[ . 1 . 2]" 2
937 1 40 PHE QE 1 65 PRO HD2 . . 5.500 5.507 5.441 5.530 0.030 4 0 "[ . 1 . 2]" 2
938 1 40 PHE QD 1 65 PRO HD2 . . 5.440 4.803 4.645 4.889 . 0 0 "[ . 1 . 2]" 2
939 1 47 ILE H 1 65 PRO HD2 . . 5.500 5.437 5.308 5.518 0.018 9 0 "[ . 1 . 2]" 2
940 1 67 CYS HB3 1 68 THR HA . . 5.420 3.887 3.831 3.983 . 0 0 "[ . 1 . 2]" 2
941 1 67 CYS HB2 1 68 THR HA . . 5.260 4.696 4.606 4.760 . 0 0 "[ . 1 . 2]" 2
942 1 67 CYS H 1 68 THR HA . . 5.390 5.328 5.222 5.369 . 0 0 "[ . 1 . 2]" 2
943 1 68 THR HB 1 69 ILE HB . . 5.160 4.947 4.523 5.129 . 0 0 "[ . 1 . 2]" 2
944 1 67 CYS H 1 68 THR HB . . 5.180 4.950 4.836 5.028 . 0 0 "[ . 1 . 2]" 2
945 1 66 ASN H 1 69 ILE MG . . 5.500 5.558 5.513 5.603 0.103 15 0 "[ . 1 . 2]" 2
946 1 70 LEU HB3 1 71 SER HA . . 4.950 4.515 4.118 4.882 . 0 0 "[ . 1 . 2]" 2
947 1 72 GLY HA3 1 73 PRO QG . . 4.760 4.159 3.786 4.488 . 0 0 "[ . 1 . 2]" 2
948 1 72 GLY HA2 1 73 PRO QG . . 4.760 4.212 3.891 4.734 . 0 0 "[ . 1 . 2]" 2
949 1 8 GLU H 1 8 GLU QB . . 3.700 2.499 2.144 3.238 . 0 0 "[ . 1 . 2]" 2
950 1 9 CYS H 1 9 CYS QB . . 3.690 2.525 2.232 3.031 . 0 0 "[ . 1 . 2]" 2
951 1 9 CYS QB 1 10 GLU H . . 4.240 3.384 1.926 4.047 . 0 0 "[ . 1 . 2]" 2
952 1 10 GLU HA 1 11 VAL QG . . 5.050 3.569 3.106 4.269 . 0 0 "[ . 1 . 2]" 2
953 1 11 VAL H 1 11 VAL QG . . 3.520 2.214 1.875 3.163 . 0 0 "[ . 1 . 2]" 2
954 1 11 VAL QG 1 24 PRO HA . . 5.430 4.212 2.477 5.427 . 0 0 "[ . 1 . 2]" 2
955 1 11 VAL QG 1 24 PRO QB . . 3.620 2.404 1.805 3.298 . 0 0 "[ . 1 . 2]" 2
956 1 11 VAL QG 1 24 PRO QG . . 3.480 2.911 2.349 3.476 . 0 0 "[ . 1 . 2]" 2
957 1 11 VAL QG 1 24 PRO HD2 . . 5.440 4.884 4.027 5.410 . 0 0 "[ . 1 . 2]" 2
958 1 12 TYR QB 1 13 ASP H . . 4.040 3.117 2.092 4.003 . 0 0 "[ . 1 . 2]" 2
959 1 13 ASP H 1 13 ASP QB . . 3.630 2.597 2.154 2.929 . 0 0 "[ . 1 . 2]" 2
960 1 13 ASP QB 1 14 PRO QD . . 4.030 3.021 2.408 3.624 . 0 0 "[ . 1 . 2]" 2
961 1 13 ASP QB 1 15 ASN H . . 4.060 3.097 2.481 3.743 . 0 0 "[ . 1 . 2]" 2
962 1 13 ASP QB 1 16 ALA MB . . 3.100 2.135 1.739 2.509 . 0 0 "[ . 1 . 2]" 2
963 1 14 PRO QG 1 15 ASN H . . 3.820 2.469 1.897 3.268 . 0 0 "[ . 1 . 2]" 2
964 1 14 PRO QG 1 15 ASN QD . . 4.310 3.428 1.958 4.313 0.003 8 0 "[ . 1 . 2]" 2
965 1 14 PRO QD 1 15 ASN H . . 3.740 2.666 2.603 2.944 . 0 0 "[ . 1 . 2]" 2
966 1 14 PRO QD 1 15 ASN QB . . 5.180 4.197 3.934 4.651 . 0 0 "[ . 1 . 2]" 2
967 1 15 ASN H 1 15 ASN QB . . 3.410 2.464 2.222 2.787 . 0 0 "[ . 1 . 2]" 2
968 1 15 ASN H 1 15 ASN QD . . 4.140 3.043 1.921 4.101 . 0 0 "[ . 1 . 2]" 2
969 1 15 ASN QB 1 16 ALA H . . 4.110 3.188 2.506 3.888 . 0 0 "[ . 1 . 2]" 2
970 1 17 LEU HB3 1 22 ARG QB . . 4.550 3.558 2.824 4.344 . 0 0 "[ . 1 . 2]" 2
971 1 17 LEU MD1 1 22 ARG QB . . 3.640 2.600 1.974 3.375 . 0 0 "[ . 1 . 2]" 2
972 1 17 LEU MD1 1 22 ARG QD . . 4.310 3.212 1.859 4.238 . 0 0 "[ . 1 . 2]" 2
973 1 17 LEU MD2 1 22 ARG QB . . 4.340 2.176 1.932 2.768 . 0 0 "[ . 1 . 2]" 2
974 1 19 CYS HB2 1 40 PHE QB . . 5.070 4.227 3.808 4.903 . 0 0 "[ . 1 . 2]" 2
975 1 20 ILE MG 1 66 ASN QB . . 4.160 2.794 2.154 3.416 . 0 0 "[ . 1 . 2]" 2
976 1 20 ILE MG 1 66 ASN QD . . 4.180 2.867 1.869 3.726 . 0 0 "[ . 1 . 2]" 2
977 1 21 CYS HB2 1 23 GLN QE . . 4.850 3.739 2.269 4.713 . 0 0 "[ . 1 . 2]" 2
978 1 22 ARG H 1 22 ARG QG . . 4.070 3.240 2.516 3.772 . 0 0 "[ . 1 . 2]" 2
979 1 22 ARG H 1 22 ARG QD . . 3.400 2.461 2.124 2.910 . 0 0 "[ . 1 . 2]" 2
980 1 22 ARG HA 1 22 ARG QG . . 3.640 2.588 2.217 3.089 . 0 0 "[ . 1 . 2]" 2
981 1 22 ARG HA 1 22 ARG QD . . 3.320 2.606 1.998 3.069 . 0 0 "[ . 1 . 2]" 2
982 1 22 ARG QB 1 22 ARG QD . . 3.100 2.306 2.127 2.533 . 0 0 "[ . 1 . 2]" 2
983 1 22 ARG QB 1 22 ARG HE . . 4.850 3.612 2.427 4.398 . 0 0 "[ . 1 . 2]" 2
984 1 22 ARG QG 1 23 GLN H . . 5.040 4.766 4.674 4.917 . 0 0 "[ . 1 . 2]" 2
985 1 22 ARG QD 1 23 GLN H . . 5.340 4.544 4.206 4.738 . 0 0 "[ . 1 . 2]" 2
986 1 23 GLN HA 1 24 PRO QB . . 5.230 4.560 4.550 4.571 . 0 0 "[ . 1 . 2]" 2
987 1 23 GLN HA 1 24 PRO QG . . 4.370 3.979 3.947 4.013 . 0 0 "[ . 1 . 2]" 2
988 1 23 GLN QE 1 24 PRO HD2 . . 5.340 4.459 3.385 5.333 . 0 0 "[ . 1 . 2]" 2
989 1 24 PRO QB 1 25 HIS H . . 4.080 2.297 1.918 2.789 . 0 0 "[ . 1 . 2]" 2
990 1 24 PRO QB 1 26 ASN H . . 5.340 4.531 3.841 4.989 . 0 0 "[ . 1 . 2]" 2
991 1 24 PRO QG 1 26 ASN H . . 5.120 4.468 3.580 5.044 . 0 0 "[ . 1 . 2]" 2
992 1 24 PRO QG 1 26 ASN HD22 . . 5.350 2.923 1.920 4.518 . 0 0 "[ . 1 . 2]" 2
993 1 26 ASN QB 1 28 ARG H . . 5.340 3.051 2.677 4.742 . 0 0 "[ . 1 . 2]" 2
994 1 26 ASN QB 1 28 ARG QG . . 3.880 3.152 2.054 3.917 0.037 16 0 "[ . 1 . 2]" 2
995 1 26 ASN QB 1 28 ARG QD . . 3.910 2.881 1.843 3.929 0.019 17 0 "[ . 1 . 2]" 2
996 1 26 ASN HD21 1 28 ARG QD . . 4.030 2.996 2.117 3.677 . 0 0 "[ . 1 . 2]" 2
997 1 27 ASN QB 1 28 ARG QG . . 4.960 3.970 3.528 4.609 . 0 0 "[ . 1 . 2]" 2
998 1 28 ARG H 1 28 ARG QB . . 3.310 2.589 2.477 2.682 . 0 0 "[ . 1 . 2]" 2
999 1 28 ARG H 1 28 ARG QG . . 3.190 2.169 1.887 2.640 . 0 0 "[ . 1 . 2]" 2
1000 1 28 ARG H 1 28 ARG QD . . 4.180 3.371 1.847 4.065 . 0 0 "[ . 1 . 2]" 2
1001 1 28 ARG HA 1 28 ARG QG . . 3.180 2.460 2.327 2.525 . 0 0 "[ . 1 . 2]" 2
1002 1 28 ARG HA 1 28 ARG QD . . 4.670 4.041 3.487 4.216 . 0 0 "[ . 1 . 2]" 2
1003 1 28 ARG HA 1 29 PHE QB . . 4.610 4.139 4.076 4.213 . 0 0 "[ . 1 . 2]" 2
1004 1 28 ARG QB 1 28 ARG QD . . 2.980 2.119 2.016 2.212 . 0 0 "[ . 1 . 2]" 2
1005 1 28 ARG QB 1 29 PHE H . . 3.470 2.700 2.305 2.959 . 0 0 "[ . 1 . 2]" 2
1006 1 28 ARG QB 1 41 HIS HD2 . . 3.370 2.617 1.930 3.082 . 0 0 "[ . 1 . 2]" 2
1007 1 28 ARG QG 1 29 PHE H . . 4.380 3.968 3.720 4.107 . 0 0 "[ . 1 . 2]" 2
1008 1 28 ARG QG 1 41 HIS HD2 . . 5.340 4.609 3.942 5.157 . 0 0 "[ . 1 . 2]" 2
1009 1 28 ARG QD 1 41 HIS HD2 . . 4.140 3.554 2.878 4.120 . 0 0 "[ . 1 . 2]" 2
1010 1 28 ARG QD 1 41 HIS HE1 . . 5.270 4.409 3.201 5.229 . 0 0 "[ . 1 . 2]" 2
1011 1 29 PHE H 1 29 PHE QB . . 2.930 2.242 2.208 2.262 . 0 0 "[ . 1 . 2]" 2
1012 1 29 PHE QB 1 49 GLU HB2 . . 4.430 3.346 2.812 3.904 . 0 0 "[ . 1 . 2]" 2
1013 1 29 PHE QB 1 49 GLU QG . . 4.280 2.463 1.962 3.428 . 0 0 "[ . 1 . 2]" 2
1014 1 29 PHE QE 1 47 ILE QG . . 5.340 4.771 4.430 5.296 . 0 0 "[ . 1 . 2]" 2
1015 1 30 MET QB 1 30 MET ME . . 3.630 2.756 2.075 3.170 . 0 0 "[ . 1 . 2]" 2
1016 1 30 MET QB 1 31 ILE H . . 3.660 2.600 2.306 3.006 . 0 0 "[ . 1 . 2]" 2
1017 1 30 MET QB 1 39 TRP HB3 . . 4.440 3.074 2.402 3.525 . 0 0 "[ . 1 . 2]" 2
1018 1 30 MET QB 1 39 TRP HE3 . . 3.480 2.118 1.972 2.526 . 0 0 "[ . 1 . 2]" 2
1019 1 30 MET QB 1 39 TRP HZ3 . . 4.330 3.337 2.894 3.955 . 0 0 "[ . 1 . 2]" 2
1020 1 30 MET QB 1 40 PHE H . . 5.090 3.743 2.976 4.274 . 0 0 "[ . 1 . 2]" 2
1021 1 30 MET QB 1 41 HIS HD2 . . 5.340 4.398 4.034 4.896 . 0 0 "[ . 1 . 2]" 2
1022 1 30 MET QB 1 42 GLY H . . 5.340 4.985 4.566 5.340 . 0 0 "[ . 1 . 2]" 2
1023 1 31 ILE MG 1 55 LEU QB . . 5.340 4.860 4.247 5.383 0.043 19 0 "[ . 1 . 2]" 2
1024 1 31 ILE MG 1 55 LEU QD . . 4.140 3.668 2.986 4.142 0.002 5 0 "[ . 1 . 2]" 2
1025 1 31 ILE MD 1 40 PHE QB . . 3.510 2.632 2.009 2.955 . 0 0 "[ . 1 . 2]" 2
1026 1 31 ILE MD 1 47 ILE QG . . 3.840 3.108 2.509 3.572 . 0 0 "[ . 1 . 2]" 2
1027 1 32 CYS H 1 32 CYS QB . . 3.270 2.438 2.270 2.813 . 0 0 "[ . 1 . 2]" 2
1028 1 32 CYS QB 1 39 TRP HZ3 . . 4.540 3.532 3.103 3.967 . 0 0 "[ . 1 . 2]" 2
1029 1 32 CYS QB 1 39 TRP HZ2 . . 4.820 3.254 2.601 4.550 . 0 0 "[ . 1 . 2]" 2
1030 1 32 CYS QB 1 39 TRP HH2 . . 4.520 2.896 2.322 3.806 . 0 0 "[ . 1 . 2]" 2
1031 1 34 ASP H 1 34 ASP QB . . 3.340 2.370 2.178 2.541 . 0 0 "[ . 1 . 2]" 2
1032 1 34 ASP QB 1 35 ARG H . . 3.610 2.983 2.701 3.645 0.035 19 0 "[ . 1 . 2]" 2
1033 1 34 ASP QB 1 63 ILE HG13 . . 5.300 4.816 4.401 5.322 0.022 19 0 "[ . 1 . 2]" 2
1034 1 34 ASP QB 1 63 ILE MD . . 3.140 2.232 1.921 2.838 . 0 0 "[ . 1 . 2]" 2
1035 1 35 ARG HA 1 35 ARG QD . . 3.600 2.871 2.440 3.623 0.023 6 0 "[ . 1 . 2]" 2
1036 1 35 ARG QB 1 35 ARG QD . . 3.300 2.154 2.067 2.333 . 0 0 "[ . 1 . 2]" 2
1037 1 35 ARG QB 1 36 CYS H . . 3.120 2.363 2.163 2.806 . 0 0 "[ . 1 . 2]" 2
1038 1 35 ARG QB 1 36 CYS QB . . 4.790 3.655 3.493 4.274 . 0 0 "[ . 1 . 2]" 2
1039 1 35 ARG QB 1 63 ILE MG . . 3.900 3.039 2.444 3.298 . 0 0 "[ . 1 . 2]" 2
1040 1 35 ARG QB 1 63 ILE MD . . 3.540 3.054 1.865 3.314 . 0 0 "[ . 1 . 2]" 2
1041 1 35 ARG QB 1 67 CYS HB2 . . 3.960 3.435 3.233 3.646 . 0 0 "[ . 1 . 2]" 2
1042 1 35 ARG QD 1 63 ILE MG . . 4.150 3.675 3.299 3.887 . 0 0 "[ . 1 . 2]" 2
1043 1 35 ARG QD 1 63 ILE MD . . 4.200 3.839 3.387 4.144 . 0 0 "[ . 1 . 2]" 2
1044 1 35 ARG QD 1 67 CYS HB3 . . 3.990 3.509 2.181 3.998 0.008 12 0 "[ . 1 . 2]" 2
1045 1 36 CYS H 1 36 CYS QB . . 3.520 2.678 2.421 2.897 . 0 0 "[ . 1 . 2]" 2
1046 1 36 CYS QB 1 38 GLU H . . 4.830 3.886 2.592 4.218 . 0 0 "[ . 1 . 2]" 2
1047 1 36 CYS QB 1 38 GLU HB2 . . 4.350 3.318 2.672 3.527 . 0 0 "[ . 1 . 2]" 2
1048 1 36 CYS QB 1 38 GLU QG . . 3.990 3.018 2.706 3.640 . 0 0 "[ . 1 . 2]" 2
1049 1 37 GLU H 1 37 GLU QB . . 3.550 3.286 3.091 3.402 . 0 0 "[ . 1 . 2]" 2
1050 1 37 GLU QB 1 37 GLU HG2 . . 2.420 2.333 2.229 2.428 0.008 1 0 "[ . 1 . 2]" 2
1051 1 37 GLU QB 1 37 GLU HG3 . . 2.490 2.350 2.254 2.451 . 0 0 "[ . 1 . 2]" 2
1052 1 38 GLU H 1 38 GLU QG . . 4.070 3.418 3.174 4.040 . 0 0 "[ . 1 . 2]" 2
1053 1 38 GLU HB2 1 38 GLU QG . . 2.330 2.226 2.146 2.315 . 0 0 "[ . 1 . 2]" 2
1054 1 38 GLU QG 1 39 TRP H . . 4.010 3.563 3.194 4.015 0.005 11 0 "[ . 1 . 2]" 2
1055 1 38 GLU QG 1 40 PHE QE . . 4.330 3.905 3.538 4.164 . 0 0 "[ . 1 . 2]" 2
1056 1 38 GLU QG 1 40 PHE HZ . . 3.990 3.347 2.747 3.974 . 0 0 "[ . 1 . 2]" 2
1057 1 40 PHE H 1 40 PHE QB . . 3.470 2.708 2.518 2.796 . 0 0 "[ . 1 . 2]" 2
1058 1 40 PHE QB 1 41 HIS H . . 3.630 2.392 2.161 2.693 . 0 0 "[ . 1 . 2]" 2
1059 1 40 PHE QB 1 45 VAL MG2 . . 3.980 2.600 2.243 2.955 . 0 0 "[ . 1 . 2]" 2
1060 1 41 HIS H 1 41 HIS QB . . 3.540 2.458 2.315 2.567 . 0 0 "[ . 1 . 2]" 2
1061 1 41 HIS QB 1 42 GLY H . . 4.190 3.221 3.092 3.329 . 0 0 "[ . 1 . 2]" 2
1062 1 41 HIS QB 1 43 ASP H . . 3.980 3.265 2.727 3.526 . 0 0 "[ . 1 . 2]" 2
1063 1 41 HIS QB 1 44 CYS H . . 3.280 2.483 2.196 2.631 . 0 0 "[ . 1 . 2]" 2
1064 1 41 HIS QB 1 44 CYS HB2 . . 3.130 2.082 1.981 2.290 . 0 0 "[ . 1 . 2]" 2
1065 1 43 ASP H 1 43 ASP QB . . 3.520 2.347 2.159 2.737 . 0 0 "[ . 1 . 2]" 2
1066 1 45 VAL H 1 46 GLY QA . . 4.890 4.459 4.283 4.588 . 0 0 "[ . 1 . 2]" 2
1067 1 45 VAL MG2 1 46 GLY QA . . 5.030 3.843 3.434 4.068 . 0 0 "[ . 1 . 2]" 2
1068 1 45 VAL MG2 1 47 ILE QG . . 3.550 2.233 1.908 2.834 . 0 0 "[ . 1 . 2]" 2
1069 1 46 GLY QA 1 47 ILE HA . . 5.150 4.079 4.045 4.092 . 0 0 "[ . 1 . 2]" 2
1070 1 47 ILE H 1 47 ILE QG . . 3.700 1.962 1.899 2.120 . 0 0 "[ . 1 . 2]" 2
1071 1 47 ILE HA 1 47 ILE QG . . 3.700 2.850 2.741 2.955 . 0 0 "[ . 1 . 2]" 2
1072 1 47 ILE HA 1 48 SER QB . . 5.340 4.185 3.924 4.372 . 0 0 "[ . 1 . 2]" 2
1073 1 47 ILE HA 1 51 ARG QG . . 4.360 3.362 2.703 3.853 . 0 0 "[ . 1 . 2]" 2
1074 1 47 ILE QG 1 47 ILE MG . . 3.100 2.315 2.245 2.420 . 0 0 "[ . 1 . 2]" 2
1075 1 47 ILE MG 1 51 ARG QG . . 3.630 3.315 2.228 3.642 0.012 4 0 "[ . 1 . 2]" 2
1076 1 47 ILE MG 1 51 ARG QD . . 4.560 3.864 2.227 4.575 0.015 9 0 "[ . 1 . 2]" 2
1077 1 47 ILE QG 1 48 SER H . . 4.830 4.524 4.371 4.680 . 0 0 "[ . 1 . 2]" 2
1078 1 47 ILE MD 1 51 ARG QG . . 3.620 2.924 1.947 3.597 . 0 0 "[ . 1 . 2]" 2
1079 1 47 ILE MD 1 51 ARG QD . . 4.630 3.477 1.959 4.545 . 0 0 "[ . 1 . 2]" 2
1080 1 48 SER H 1 48 SER QB . . 3.130 2.475 2.290 2.737 . 0 0 "[ . 1 . 2]" 2
1081 1 48 SER H 1 51 ARG QG . . 3.990 3.069 2.741 3.338 . 0 0 "[ . 1 . 2]" 2
1082 1 48 SER H 1 51 ARG QD . . 5.340 4.134 3.419 4.935 . 0 0 "[ . 1 . 2]" 2
1083 1 48 SER QB 1 49 GLU H . . 3.360 2.737 2.419 3.265 . 0 0 "[ . 1 . 2]" 2
1084 1 48 SER QB 1 50 ALA H . . 3.650 2.974 2.546 3.575 . 0 0 "[ . 1 . 2]" 2
1085 1 48 SER QB 1 50 ALA MB . . 4.780 3.410 2.796 4.028 . 0 0 "[ . 1 . 2]" 2
1086 1 51 ARG H 1 51 ARG QG . . 4.290 3.545 2.933 4.050 . 0 0 "[ . 1 . 2]" 2
1087 1 51 ARG H 1 51 ARG QD . . 5.170 4.202 3.589 4.599 . 0 0 "[ . 1 . 2]" 2
1088 1 51 ARG HA 1 51 ARG QG . . 3.380 2.450 2.212 2.742 . 0 0 "[ . 1 . 2]" 2
1089 1 51 ARG HA 1 51 ARG QD . . 3.280 2.544 1.993 3.044 . 0 0 "[ . 1 . 2]" 2
1090 1 51 ARG HA 1 55 LEU QD . . 5.230 4.097 3.428 5.023 . 0 0 "[ . 1 . 2]" 2
1091 1 51 ARG HB3 1 51 ARG QD . . 3.070 2.598 2.125 3.201 0.131 13 0 "[ . 1 . 2]" 2
1092 1 51 ARG QG 1 52 GLY H . . 4.450 3.999 3.147 4.407 . 0 0 "[ . 1 . 2]" 2
1093 1 52 GLY HA2 1 55 LEU QB . . 3.840 2.421 1.979 2.841 . 0 0 "[ . 1 . 2]" 2
1094 1 52 GLY HA2 1 55 LEU QD . . 3.750 1.978 1.801 2.243 . 0 0 "[ . 1 . 2]" 2
1095 1 52 GLY HA3 1 55 LEU QB . . 4.370 3.951 3.521 4.297 . 0 0 "[ . 1 . 2]" 2
1096 1 52 GLY HA3 1 55 LEU QD . . 4.200 3.214 2.740 3.659 . 0 0 "[ . 1 . 2]" 2
1097 1 53 ARG H 1 53 ARG QD . . 4.960 4.206 3.934 4.468 . 0 0 "[ . 1 . 2]" 2
1098 1 53 ARG HA 1 53 ARG QD . . 3.400 2.457 2.084 3.136 . 0 0 "[ . 1 . 2]" 2
1099 1 53 ARG HB2 1 53 ARG QD . . 3.230 3.239 3.213 3.286 0.056 14 0 "[ . 1 . 2]" 2
1100 1 54 LEU H 1 54 LEU QB . . 3.230 2.245 2.156 2.438 . 0 0 "[ . 1 . 2]" 2
1101 1 54 LEU HA 1 54 LEU QB . . 2.540 2.439 2.369 2.477 . 0 0 "[ . 1 . 2]" 2
1102 1 54 LEU HA 1 58 ASN QD . . 4.580 3.748 2.342 4.527 . 0 0 "[ . 1 . 2]" 2
1103 1 54 LEU QB 1 54 LEU MD1 . . 3.080 2.045 1.974 2.098 . 0 0 "[ . 1 . 2]" 2
1104 1 54 LEU QB 1 55 LEU H . . 2.890 2.389 2.223 2.583 . 0 0 "[ . 1 . 2]" 2
1105 1 54 LEU QB 1 58 ASN QD . . 3.310 2.405 1.811 3.315 0.005 8 0 "[ . 1 . 2]" 2
1106 1 54 LEU HG 1 58 ASN QD . . 5.240 4.648 3.981 5.240 . 0 0 "[ . 1 . 2]" 2
1107 1 54 LEU MD1 1 58 ASN QD . . 4.980 3.386 2.840 4.311 . 0 0 "[ . 1 . 2]" 2
1108 1 55 LEU H 1 55 LEU QB . . 2.960 2.448 2.094 2.653 . 0 0 "[ . 1 . 2]" 2
1109 1 55 LEU H 1 55 LEU QD . . 3.740 3.113 2.871 3.503 . 0 0 "[ . 1 . 2]" 2
1110 1 55 LEU HA 1 55 LEU QD . . 3.040 2.369 1.976 3.054 0.014 7 0 "[ . 1 . 2]" 2
1111 1 55 LEU HA 1 58 ASN QB . . 3.800 2.740 2.144 3.128 . 0 0 "[ . 1 . 2]" 2
1112 1 55 LEU QB 1 55 LEU QD . . 2.550 1.870 1.794 1.943 . 0 0 "[ . 1 . 2]" 2
1113 1 55 LEU QB 1 56 GLU H . . 3.420 2.959 2.686 3.431 0.011 7 0 "[ . 1 . 2]" 2
1114 1 55 LEU QB 1 60 GLU H . . 4.350 3.723 3.304 4.223 . 0 0 "[ . 1 . 2]" 2
1115 1 55 LEU QB 1 60 GLU HB2 . . 4.830 2.914 2.027 3.456 . 0 0 "[ . 1 . 2]" 2
1116 1 55 LEU QB 1 60 GLU HB3 . . 4.720 3.839 3.006 4.269 . 0 0 "[ . 1 . 2]" 2
1117 1 55 LEU QD 1 58 ASN QB . . 4.930 3.981 3.495 4.371 . 0 0 "[ . 1 . 2]" 2
1118 1 55 LEU QD 1 60 GLU H . . 4.550 3.499 2.140 4.223 . 0 0 "[ . 1 . 2]" 2
1119 1 55 LEU QD 1 60 GLU HB2 . . 3.250 2.170 1.928 2.468 . 0 0 "[ . 1 . 2]" 2
1120 1 55 LEU QD 1 60 GLU HB3 . . 3.100 2.675 2.223 3.124 0.024 19 0 "[ . 1 . 2]" 2
1121 1 55 LEU QD 1 60 GLU QG . . 3.870 3.352 2.807 3.883 0.013 19 0 "[ . 1 . 2]" 2
1122 1 55 LEU QD 1 62 TYR HA . . 3.870 3.091 2.541 3.641 . 0 0 "[ . 1 . 2]" 2
1123 1 55 LEU QD 1 62 TYR QB . . 3.570 1.985 1.791 2.566 . 0 0 "[ . 1 . 2]" 2
1124 1 55 LEU QD 1 62 TYR QD . . 3.970 2.642 1.733 3.269 . 0 0 "[ . 1 . 2]" 2
1125 1 56 GLU H 1 56 GLU QB . . 2.950 2.239 2.133 2.960 0.010 17 0 "[ . 1 . 2]" 2
1126 1 56 GLU H 1 56 GLU QG . . 4.110 3.539 1.779 4.061 . 0 0 "[ . 1 . 2]" 2
1127 1 56 GLU HA 1 56 GLU QG . . 3.190 2.508 2.252 3.228 0.038 17 0 "[ . 1 . 2]" 2
1128 1 56 GLU QB 1 57 ARG H . . 3.010 2.089 1.880 2.461 . 0 0 "[ . 1 . 2]" 2
1129 1 56 GLU QB 1 57 ARG HA . . 4.500 3.820 3.651 4.119 . 0 0 "[ . 1 . 2]" 2
1130 1 56 GLU QB 1 58 ASN H . . 4.930 4.376 4.083 4.552 . 0 0 "[ . 1 . 2]" 2
1131 1 56 GLU QG 1 57 ARG H . . 4.820 3.650 1.858 4.122 . 0 0 "[ . 1 . 2]" 2
1132 1 57 ARG H 1 57 ARG QG . . 3.250 2.136 1.852 2.826 . 0 0 "[ . 1 . 2]" 2
1133 1 57 ARG HA 1 57 ARG QG . . 3.530 3.353 3.300 3.438 . 0 0 "[ . 1 . 2]" 2
1134 1 57 ARG QG 1 58 ASN H . . 4.180 1.979 1.802 2.327 . 0 0 "[ . 1 . 2]" 2
1135 1 58 ASN H 1 58 ASN QB . . 2.940 2.307 2.161 2.635 . 0 0 "[ . 1 . 2]" 2
1136 1 58 ASN H 1 58 ASN QD . . 4.400 3.288 2.087 4.123 . 0 0 "[ . 1 . 2]" 2
1137 1 58 ASN QB 1 58 ASN QD . . 3.090 2.199 2.063 2.610 . 0 0 "[ . 1 . 2]" 2
1138 1 58 ASN QB 1 59 GLY H . . 4.060 2.558 2.380 2.767 . 0 0 "[ . 1 . 2]" 2
1139 1 58 ASN QB 1 60 GLU H . . 3.910 3.224 2.812 3.708 . 0 0 "[ . 1 . 2]" 2
1140 1 58 ASN QB 1 60 GLU HB3 . . 5.340 4.902 4.663 5.101 . 0 0 "[ . 1 . 2]" 2
1141 1 65 PRO QB 1 66 ASN H . . 3.810 2.770 2.708 2.814 . 0 0 "[ . 1 . 2]" 2
1142 1 65 PRO QB 1 68 THR HB . . 5.340 4.642 4.485 4.753 . 0 0 "[ . 1 . 2]" 2
1143 1 65 PRO QB 1 69 ILE QG . . 5.100 2.756 2.535 3.013 . 0 0 "[ . 1 . 2]" 2
1144 1 66 ASN H 1 66 ASN QB . . 3.270 2.329 2.150 2.774 . 0 0 "[ . 1 . 2]" 2
1145 1 66 ASN H 1 66 ASN QD . . 5.340 3.978 1.922 4.645 . 0 0 "[ . 1 . 2]" 2
1146 1 66 ASN HA 1 69 ILE QG . . 4.760 3.764 3.517 4.600 . 0 0 "[ . 1 . 2]" 2
1147 1 66 ASN QB 1 66 ASN QD . . 2.890 2.200 2.063 2.418 . 0 0 "[ . 1 . 2]" 2
1148 1 66 ASN QB 1 67 CYS H . . 3.290 2.842 2.778 2.914 . 0 0 "[ . 1 . 2]" 2
1149 1 66 ASN QB 1 69 ILE MD . . 5.340 3.918 3.453 5.016 . 0 0 "[ . 1 . 2]" 2
1150 1 68 THR HB 1 69 ILE QG . . 4.930 3.556 3.361 4.303 . 0 0 "[ . 1 . 2]" 2
1151 1 68 THR MG 1 69 ILE QG . . 5.340 4.258 4.086 4.574 . 0 0 "[ . 1 . 2]" 2
1152 1 69 ILE H 1 69 ILE QG . . 3.170 2.164 1.971 3.194 0.024 18 0 "[ . 1 . 2]" 2
1153 1 69 ILE HA 1 69 ILE QG . . 3.440 2.347 2.275 2.420 . 0 0 "[ . 1 . 2]" 2
1154 1 69 ILE QG 1 69 ILE MG . . 2.990 2.259 2.117 2.380 . 0 0 "[ . 1 . 2]" 2
1155 1 69 ILE QG 1 70 LEU H . . 4.700 4.177 4.087 4.547 . 0 0 "[ . 1 . 2]" 2
1156 1 69 ILE QG 1 70 LEU HG . . 5.340 5.258 5.035 5.361 0.021 1 0 "[ . 1 . 2]" 2
1157 1 70 LEU HB2 1 71 SER QB . . 4.360 3.674 3.457 4.025 . 0 0 "[ . 1 . 2]" 2
1158 1 70 LEU HB3 1 71 SER QB . . 4.510 4.047 3.653 4.515 0.005 2 0 "[ . 1 . 2]" 2
1159 1 71 SER H 1 71 SER QB . . 3.400 2.530 2.222 3.056 . 0 0 "[ . 1 . 2]" 2
1160 1 72 GLY QA 1 73 PRO QG . . 4.180 3.675 3.642 3.697 . 0 0 "[ . 1 . 2]" 2
1161 1 72 GLY QA 1 73 PRO QD . . 2.530 1.958 1.847 2.029 . 0 0 "[ . 1 . 2]" 2
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