Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507035 | 2e61 RC | 11362 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e61
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 14
_Distance_constraint_stats_list.Viol_count 67
_Distance_constraint_stats_list.Viol_total 4.736
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0035
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 21 CYS 0.073 0.010 2 0 "[ . 1 . 2]"
1 26 CYS 0.117 0.009 19 0 "[ . 1 . 2]"
1 47 CYS 0.031 0.005 16 0 "[ . 1 . 2]"
1 58 CYS 0.102 0.010 2 0 "[ . 1 . 2]"
2 1 ZN 0.151 0.009 15 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 21 CYS SG 2 1 ZN ZN . 2.250 2.350 2.250 2.242 2.261 0.008 15 0 "[ . 1 . 2]" 1
2 1 26 CYS SG 2 1 ZN ZN . 2.250 2.350 2.338 2.318 2.352 0.002 8 0 "[ . 1 . 2]" 1
3 1 47 CYS SG 2 1 ZN ZN . 2.250 2.350 2.349 2.333 2.355 0.005 16 0 "[ . 1 . 2]" 1
4 1 58 CYS SG 2 1 ZN ZN . 2.250 2.350 2.311 2.291 2.338 . 0 0 "[ . 1 . 2]" 1
5 1 21 CYS CB 2 1 ZN ZN . 3.220 3.520 3.304 3.264 3.340 . 0 0 "[ . 1 . 2]" 1
6 1 26 CYS CB 2 1 ZN ZN . 3.220 3.520 3.217 3.211 3.228 0.009 15 0 "[ . 1 . 2]" 1
7 1 47 CYS CB 2 1 ZN ZN . 3.220 3.520 3.404 3.369 3.426 . 0 0 "[ . 1 . 2]" 1
8 1 58 CYS CB 2 1 ZN ZN . 3.220 3.520 3.225 3.212 3.240 0.008 7 0 "[ . 1 . 2]" 1
9 1 21 CYS SG 1 26 CYS SG . 3.650 3.850 3.817 3.783 3.848 . 0 0 "[ . 1 . 2]" 1
10 1 21 CYS SG 1 47 CYS SG . 3.650 3.850 3.674 3.647 3.698 0.003 20 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 58 CYS SG . 3.650 3.850 3.850 3.842 3.860 0.010 2 0 "[ . 1 . 2]" 1
12 1 26 CYS SG 1 47 CYS SG . 3.650 3.850 3.817 3.778 3.850 . 0 0 "[ . 1 . 2]" 1
13 1 26 CYS SG 1 58 CYS SG . 3.650 3.850 3.650 3.641 3.664 0.009 19 0 "[ . 1 . 2]" 1
14 1 47 CYS SG 1 58 CYS SG . 3.650 3.850 3.829 3.813 3.850 . 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 1273
_Distance_constraint_stats_list.Viol_count 596
_Distance_constraint_stats_list.Viol_total 83.008
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.017 0.017 5 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.018 0.008 10 0 "[ . 1 . 2]"
1 18 TRP 0.020 0.006 1 0 "[ . 1 . 2]"
1 19 VAL 0.115 0.011 4 0 "[ . 1 . 2]"
1 20 GLN 0.017 0.006 12 0 "[ . 1 . 2]"
1 21 CYS 0.232 0.017 7 0 "[ . 1 . 2]"
1 22 SER 0.003 0.003 17 0 "[ . 1 . 2]"
1 23 PHE 0.801 0.032 11 0 "[ . 1 . 2]"
1 24 PRO 0.576 0.032 11 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.375 0.022 8 0 "[ . 1 . 2]"
1 27 GLY 0.292 0.022 8 0 "[ . 1 . 2]"
1 28 LYS 0.174 0.015 2 0 "[ . 1 . 2]"
1 29 TRP 0.026 0.007 12 0 "[ . 1 . 2]"
1 30 ARG 0.164 0.015 2 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.105 0.031 10 0 "[ . 1 . 2]"
1 33 CYS 0.050 0.026 18 0 "[ . 1 . 2]"
1 34 GLY 0.045 0.038 9 0 "[ . 1 . 2]"
1 35 ASN 0.045 0.038 9 0 "[ . 1 . 2]"
1 36 ILE 0.337 0.047 7 0 "[ . 1 . 2]"
1 37 ASP 0.273 0.047 7 0 "[ . 1 . 2]"
1 38 PRO 0.068 0.027 9 0 "[ . 1 . 2]"
1 39 SER 0.053 0.019 10 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.075 0.027 9 0 "[ . 1 . 2]"
1 42 PRO 0.033 0.009 20 0 "[ . 1 . 2]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.114 0.035 15 0 "[ . 1 . 2]"
1 45 TRP 0.500 0.017 7 0 "[ . 1 . 2]"
1 46 SER 0.141 0.010 15 0 "[ . 1 . 2]"
1 47 CYS 0.411 0.014 9 0 "[ . 1 . 2]"
1 48 ASP 0.007 0.003 9 0 "[ . 1 . 2]"
1 49 GLN 0.198 0.013 9 0 "[ . 1 . 2]"
1 50 ASN 0.057 0.009 8 0 "[ . 1 . 2]"
1 51 THR 0.003 0.002 15 0 "[ . 1 . 2]"
1 52 ASP 0.246 0.022 13 0 "[ . 1 . 2]"
1 53 VAL 0.549 0.022 13 0 "[ . 1 . 2]"
1 54 GLN 0.343 0.013 11 0 "[ . 1 . 2]"
1 55 TYR 0.180 0.011 1 0 "[ . 1 . 2]"
1 56 ASN 0.230 0.011 1 0 "[ . 1 . 2]"
1 57 ARG 0.186 0.024 8 0 "[ . 1 . 2]"
1 58 CYS 0.033 0.008 7 0 "[ . 1 . 2]"
1 59 ASP 0.029 0.013 19 0 "[ . 1 . 2]"
1 60 ILE 0.512 0.024 8 0 "[ . 1 . 2]"
1 61 PRO 0.162 0.015 2 0 "[ . 1 . 2]"
1 62 GLU 0.153 0.012 17 0 "[ . 1 . 2]"
1 63 GLU 0.041 0.018 19 0 "[ . 1 . 2]"
1 64 THR 0.038 0.018 19 0 "[ . 1 . 2]"
1 65 TRP 0.013 0.005 20 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.001 0.001 4 0 "[ . 1 . 2]"
1 69 GLU 0.001 0.001 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 65 TRP H 1 65 TRP HB2 . . 3.670 2.967 2.212 3.675 0.005 20 0 "[ . 1 . 2]" 2
2 1 64 THR HA 1 65 TRP H . . 3.010 2.239 2.142 2.405 . 0 0 "[ . 1 . 2]" 2
3 1 65 TRP H 1 65 TRP HB3 . . 3.670 3.216 2.458 3.669 . 0 0 "[ . 1 . 2]" 2
4 1 19 VAL HA 1 20 GLN H . . 3.260 2.163 2.141 2.199 . 0 0 "[ . 1 . 2]" 2
5 1 41 LEU H 1 41 LEU HB2 . . 3.570 2.347 2.220 2.493 . 0 0 "[ . 1 . 2]" 2
6 1 30 ARG HA 1 31 ARG H . . 3.530 2.282 2.140 2.547 . 0 0 "[ . 1 . 2]" 2
7 1 58 CYS HA 1 60 ILE H . . 4.100 4.058 4.032 4.082 . 0 0 "[ . 1 . 2]" 2
8 1 59 ASP HB3 1 60 ILE H . . 3.880 3.055 3.023 3.097 . 0 0 "[ . 1 . 2]" 2
9 1 60 ILE H 1 60 ILE HG13 . . 2.860 2.166 2.150 2.180 . 0 0 "[ . 1 . 2]" 2
10 1 60 ILE H 1 60 ILE MD . . 3.530 3.345 3.307 3.383 . 0 0 "[ . 1 . 2]" 2
11 1 56 ASN HB3 1 56 ASN HD21 . . 3.360 2.318 2.312 2.331 . 0 0 "[ . 1 . 2]" 2
12 1 56 ASN HB3 1 56 ASN HD22 . . 3.720 3.514 3.512 3.520 . 0 0 "[ . 1 . 2]" 2
13 1 25 ASN H 1 26 CYS H . . 3.050 2.693 2.688 2.697 . 0 0 "[ . 1 . 2]" 2
14 1 26 CYS H 1 27 GLY H . . 2.910 2.851 2.847 2.859 . 0 0 "[ . 1 . 2]" 2
15 1 23 PHE HB2 1 26 CYS H . . 3.480 3.096 3.076 3.136 . 0 0 "[ . 1 . 2]" 2
16 1 26 CYS H 1 26 CYS HB3 . . 3.370 3.337 3.334 3.343 . 0 0 "[ . 1 . 2]" 2
17 1 26 CYS H 1 26 CYS HB2 . . 2.980 2.150 2.146 2.153 . 0 0 "[ . 1 . 2]" 2
18 1 28 LYS H 1 28 LYS HG3 . . 3.040 2.583 2.543 2.619 . 0 0 "[ . 1 . 2]" 2
19 1 28 LYS H 1 28 LYS HB2 . . 2.820 2.472 2.451 2.494 . 0 0 "[ . 1 . 2]" 2
20 1 28 LYS H 1 28 LYS HG2 . . 3.720 3.695 3.650 3.718 . 0 0 "[ . 1 . 2]" 2
21 1 21 CYS HB3 1 28 LYS H . . 3.120 2.827 2.795 2.856 . 0 0 "[ . 1 . 2]" 2
22 1 22 SER H 1 23 PHE H . . 3.160 2.342 2.304 2.403 . 0 0 "[ . 1 . 2]" 2
23 1 22 SER H 1 45 TRP HE3 . . 3.720 3.644 3.594 3.687 . 0 0 "[ . 1 . 2]" 2
24 1 22 SER H 1 46 SER HA . . 3.090 2.394 2.378 2.410 . 0 0 "[ . 1 . 2]" 2
25 1 21 CYS HA 1 22 SER H . . 2.610 2.333 2.296 2.347 . 0 0 "[ . 1 . 2]" 2
26 1 22 SER H 1 22 SER HB2 . . 3.320 2.964 2.822 3.233 . 0 0 "[ . 1 . 2]" 2
27 1 22 SER H 1 22 SER HB3 . . 3.320 2.280 2.126 2.384 . 0 0 "[ . 1 . 2]" 2
28 1 47 CYS HB2 1 58 CYS H . . 3.490 3.231 3.194 3.281 . 0 0 "[ . 1 . 2]" 2
29 1 47 CYS HB3 1 58 CYS H . . 4.510 4.294 4.248 4.353 . 0 0 "[ . 1 . 2]" 2
30 1 57 ARG HB3 1 58 CYS H . . 3.140 2.616 2.594 2.654 . 0 0 "[ . 1 . 2]" 2
31 1 58 CYS H 1 58 CYS HB2 . . 2.860 2.292 2.281 2.308 . 0 0 "[ . 1 . 2]" 2
32 1 57 ARG HB2 1 58 CYS H . . 3.940 3.729 3.708 3.751 . 0 0 "[ . 1 . 2]" 2
33 1 29 TRP HA 1 30 ARG H . . 2.810 2.182 2.169 2.193 . 0 0 "[ . 1 . 2]" 2
34 1 28 LYS HA 1 29 TRP H . . 2.660 2.248 2.239 2.263 . 0 0 "[ . 1 . 2]" 2
35 1 29 TRP H 1 29 TRP HD1 . . 3.410 3.050 2.898 3.210 . 0 0 "[ . 1 . 2]" 2
36 1 8 GLU HA 1 9 ILE H . . 2.910 2.256 2.138 2.809 . 0 0 "[ . 1 . 2]" 2
37 1 9 ILE H 1 9 ILE HB . . 3.730 3.337 2.525 3.730 0.000 9 0 "[ . 1 . 2]" 2
38 1 9 ILE H 1 9 ILE HG13 . . 3.860 2.618 1.981 3.777 . 0 0 "[ . 1 . 2]" 2
39 1 51 THR H 1 52 ASP H . . 3.000 2.213 2.161 2.262 . 0 0 "[ . 1 . 2]" 2
40 1 52 ASP H 1 52 ASP HB3 . . 3.190 2.655 2.598 2.716 . 0 0 "[ . 1 . 2]" 2
41 1 52 ASP H 1 52 ASP HB2 . . 3.190 2.590 2.539 2.633 . 0 0 "[ . 1 . 2]" 2
42 1 30 ARG HH21 1 62 GLU HG3 . . 3.500 2.784 2.680 3.023 . 0 0 "[ . 1 . 2]" 2
43 1 45 TRP HZ2 1 50 ASN H . . 3.690 3.682 3.655 3.697 0.007 10 0 "[ . 1 . 2]" 2
44 1 49 GLN HA 1 50 ASN H . . 3.520 2.950 2.914 2.982 . 0 0 "[ . 1 . 2]" 2
45 1 50 ASN H 1 50 ASN HB2 . . 2.670 2.468 2.444 2.508 . 0 0 "[ . 1 . 2]" 2
46 1 50 ASN H 1 50 ASN HB3 . . 2.840 2.830 2.813 2.840 . 0 0 "[ . 1 . 2]" 2
47 1 61 PRO HA 1 62 GLU H . . 2.560 2.348 2.320 2.381 . 0 0 "[ . 1 . 2]" 2
48 1 62 GLU H 1 62 GLU HG2 . . 3.930 3.716 3.542 3.893 . 0 0 "[ . 1 . 2]" 2
49 1 62 GLU H 1 62 GLU HG3 . . 3.440 2.359 2.188 2.605 . 0 0 "[ . 1 . 2]" 2
50 1 62 GLU H 1 62 GLU HB2 . . 3.130 2.443 2.346 2.521 . 0 0 "[ . 1 . 2]" 2
51 1 28 LYS HD3 1 62 GLU H . . 3.650 3.110 2.839 3.238 . 0 0 "[ . 1 . 2]" 2
52 1 50 ASN H 1 56 ASN HB2 . . 3.590 3.242 3.208 3.281 . 0 0 "[ . 1 . 2]" 2
53 1 53 VAL H 1 54 GLN H . . 3.170 2.715 2.709 2.718 . 0 0 "[ . 1 . 2]" 2
54 1 52 ASP HA 1 53 VAL H . . 2.530 2.151 2.147 2.154 . 0 0 "[ . 1 . 2]" 2
55 1 53 VAL H 1 53 VAL HB . . 3.660 3.613 3.612 3.614 . 0 0 "[ . 1 . 2]" 2
56 1 27 GLY H 1 28 LYS H . . 3.200 2.803 2.798 2.811 . 0 0 "[ . 1 . 2]" 2
57 1 27 GLY H 1 27 GLY HA2 . . 2.770 2.298 2.297 2.299 . 0 0 "[ . 1 . 2]" 2
58 1 27 GLY H 1 27 GLY HA3 . . 2.950 2.760 2.757 2.761 . 0 0 "[ . 1 . 2]" 2
59 1 23 PHE HB2 1 27 GLY H . . 4.110 3.944 3.922 3.974 . 0 0 "[ . 1 . 2]" 2
60 1 26 CYS HB3 1 27 GLY H . . 2.670 2.168 2.162 2.171 . 0 0 "[ . 1 . 2]" 2
61 1 21 CYS HB3 1 27 GLY H . . 3.250 2.414 2.386 2.444 . 0 0 "[ . 1 . 2]" 2
62 1 26 CYS HB2 1 27 GLY H . . 2.950 2.588 2.575 2.595 . 0 0 "[ . 1 . 2]" 2
63 1 45 TRP H 1 45 TRP HB2 . . 3.200 2.510 2.413 2.669 . 0 0 "[ . 1 . 2]" 2
64 1 45 TRP H 1 45 TRP HB3 . . 3.500 2.586 2.554 2.651 . 0 0 "[ . 1 . 2]" 2
65 1 46 SER H 1 49 GLN HB3 . . 3.970 3.896 3.843 3.969 . 0 0 "[ . 1 . 2]" 2
66 1 46 SER H 1 49 GLN HG3 . . 3.330 3.220 3.182 3.275 . 0 0 "[ . 1 . 2]" 2
67 1 46 SER H 1 49 GLN HE21 . . 3.400 2.819 2.740 2.884 . 0 0 "[ . 1 . 2]" 2
68 1 46 SER H 1 49 GLN HE22 . . 3.620 3.213 3.146 3.272 . 0 0 "[ . 1 . 2]" 2
69 1 45 TRP HA 1 46 SER H . . 2.600 2.239 2.229 2.257 . 0 0 "[ . 1 . 2]" 2
70 1 45 TRP HB3 1 46 SER H . . 3.900 3.877 3.825 3.910 0.010 15 0 "[ . 1 . 2]" 2
71 1 46 SER H 1 49 GLN HB2 . . 3.290 2.339 2.281 2.411 . 0 0 "[ . 1 . 2]" 2
72 1 32 LEU HA 1 33 CYS H . . 3.210 2.511 2.296 2.652 . 0 0 "[ . 1 . 2]" 2
73 1 8 GLU H 1 8 GLU HB3 . . 4.060 3.154 2.461 3.703 . 0 0 "[ . 1 . 2]" 2
74 1 42 PRO HA 1 43 ASP H . . 3.380 2.398 2.206 2.639 . 0 0 "[ . 1 . 2]" 2
75 1 46 SER HA 1 47 CYS H . . 2.950 2.550 2.529 2.564 . 0 0 "[ . 1 . 2]" 2
76 1 46 SER HB2 1 47 CYS H . . 3.300 2.122 2.095 2.167 . 0 0 "[ . 1 . 2]" 2
77 1 47 CYS H 1 47 CYS HB2 . . 3.190 2.628 2.615 2.634 . 0 0 "[ . 1 . 2]" 2
78 1 56 ASN H 1 56 ASN HB2 . . 3.840 3.749 3.746 3.754 . 0 0 "[ . 1 . 2]" 2
79 1 56 ASN H 1 56 ASN HB3 . . 3.150 2.701 2.693 2.712 . 0 0 "[ . 1 . 2]" 2
80 1 56 ASN H 1 60 ILE MD . . 2.840 2.216 2.183 2.235 . 0 0 "[ . 1 . 2]" 2
81 1 64 THR H 1 64 THR HB . . 3.620 3.419 3.046 3.624 0.004 18 0 "[ . 1 . 2]" 2
82 1 48 ASP H 1 49 GLN H . . 2.640 2.604 2.595 2.621 . 0 0 "[ . 1 . 2]" 2
83 1 47 CYS HA 1 49 GLN H . . 3.620 3.629 3.624 3.633 0.013 9 0 "[ . 1 . 2]" 2
84 1 49 GLN H 1 49 GLN HB3 . . 3.770 3.627 3.617 3.642 . 0 0 "[ . 1 . 2]" 2
85 1 49 GLN H 1 49 GLN HG3 . . 3.030 2.880 2.820 2.899 . 0 0 "[ . 1 . 2]" 2
86 1 49 GLN H 1 49 GLN HB2 . . 2.910 2.393 2.376 2.420 . 0 0 "[ . 1 . 2]" 2
87 1 51 THR H 1 51 THR MG . . 3.080 2.469 2.210 2.623 . 0 0 "[ . 1 . 2]" 2
88 1 54 GLN H 1 54 GLN HG3 . . 3.390 2.360 2.296 2.408 . 0 0 "[ . 1 . 2]" 2
89 1 54 GLN H 1 54 GLN HB2 . . 2.960 2.598 2.569 2.631 . 0 0 "[ . 1 . 2]" 2
90 1 54 GLN H 1 54 GLN HB3 . . 3.780 3.593 3.590 3.595 . 0 0 "[ . 1 . 2]" 2
91 1 42 PRO HB2 1 44 ASN H . . 3.510 2.453 2.348 2.563 . 0 0 "[ . 1 . 2]" 2
92 1 39 SER H 1 39 SER HB3 . . 3.510 3.056 2.148 3.529 0.019 10 0 "[ . 1 . 2]" 2
93 1 54 GLN H 1 55 TYR H . . 2.840 2.567 2.560 2.579 . 0 0 "[ . 1 . 2]" 2
94 1 54 GLN HA 1 55 TYR H . . 3.510 3.442 3.436 3.445 . 0 0 "[ . 1 . 2]" 2
95 1 55 TYR H 1 55 TYR HB2 . . 3.310 2.871 2.844 2.900 . 0 0 "[ . 1 . 2]" 2
96 1 54 GLN HB2 1 55 TYR H . . 3.500 3.043 3.029 3.062 . 0 0 "[ . 1 . 2]" 2
97 1 25 ASN H 1 25 ASN HB2 . . 3.640 3.266 2.292 3.591 . 0 0 "[ . 1 . 2]" 2
98 1 49 GLN HB3 1 49 GLN HE21 . . 4.430 4.356 4.329 4.376 . 0 0 "[ . 1 . 2]" 2
99 1 49 GLN HE21 1 49 GLN HG3 . . 3.050 2.119 2.118 2.121 . 0 0 "[ . 1 . 2]" 2
100 1 45 TRP HA 1 49 GLN HE22 . . 3.580 2.152 2.121 2.201 . 0 0 "[ . 1 . 2]" 2
101 1 49 GLN HE22 1 49 GLN HG3 . . 3.490 3.438 3.437 3.439 . 0 0 "[ . 1 . 2]" 2
102 1 56 ASN HA 1 57 ARG H . . 3.340 3.019 3.010 3.028 . 0 0 "[ . 1 . 2]" 2
103 1 47 CYS HB3 1 57 ARG H . . 3.350 3.025 2.965 3.080 . 0 0 "[ . 1 . 2]" 2
104 1 57 ARG H 1 60 ILE HB . . 3.260 3.261 3.232 3.284 0.024 8 0 "[ . 1 . 2]" 2
105 1 57 ARG H 1 57 ARG HB2 . . 3.040 2.739 2.719 2.763 . 0 0 "[ . 1 . 2]" 2
106 1 57 ARG H 1 60 ILE MD . . 2.790 2.008 1.908 2.118 . 0 0 "[ . 1 . 2]" 2
107 1 44 ASN HB2 1 44 ASN HD22 . . 4.030 3.677 3.434 3.983 . 0 0 "[ . 1 . 2]" 2
108 1 21 CYS H 1 28 LYS H . . 3.640 3.177 3.159 3.201 . 0 0 "[ . 1 . 2]" 2
109 1 21 CYS H 1 29 TRP HA . . 4.020 3.777 3.732 3.857 . 0 0 "[ . 1 . 2]" 2
110 1 20 GLN HA 1 21 CYS H . . 2.640 2.164 2.152 2.172 . 0 0 "[ . 1 . 2]" 2
111 1 21 CYS H 1 21 CYS HB2 . . 2.960 2.307 2.296 2.334 . 0 0 "[ . 1 . 2]" 2
112 1 21 CYS H 1 21 CYS HB3 . . 2.920 2.776 2.746 2.790 . 0 0 "[ . 1 . 2]" 2
113 1 20 GLN HG2 1 21 CYS H . . 3.510 2.644 2.516 2.769 . 0 0 "[ . 1 . 2]" 2
114 1 44 ASN HB2 1 44 ASN HD21 . . 3.300 2.672 2.114 3.335 0.035 15 0 "[ . 1 . 2]" 2
115 1 44 ASN HB3 1 44 ASN HD21 . . 3.300 2.614 2.117 3.303 0.003 10 0 "[ . 1 . 2]" 2
116 1 44 ASN HB3 1 44 ASN HD22 . . 4.030 3.653 3.436 3.968 . 0 0 "[ . 1 . 2]" 2
117 1 50 ASN HD22 1 55 TYR HB2 . . 3.940 2.836 2.737 2.910 . 0 0 "[ . 1 . 2]" 2
118 1 48 ASP H 1 48 ASP HB3 . . 2.990 2.439 2.384 2.500 . 0 0 "[ . 1 . 2]" 2
119 1 47 CYS HB2 1 48 ASP H . . 3.180 2.854 2.821 2.874 . 0 0 "[ . 1 . 2]" 2
120 1 50 ASN HD21 1 55 TYR HB2 . . 3.710 2.842 2.785 2.921 . 0 0 "[ . 1 . 2]" 2
121 1 50 ASN HB2 1 50 ASN HD21 . . 3.490 3.130 3.084 3.166 . 0 0 "[ . 1 . 2]" 2
122 1 58 CYS H 1 59 ASP H . . 3.100 2.500 2.469 2.517 . 0 0 "[ . 1 . 2]" 2
123 1 59 ASP H 1 60 ILE H . . 2.860 2.093 2.056 2.169 . 0 0 "[ . 1 . 2]" 2
124 1 58 CYS HB3 1 59 ASP H . . 4.300 4.155 4.095 4.171 . 0 0 "[ . 1 . 2]" 2
125 1 59 ASP H 1 59 ASP HB2 . . 3.210 2.585 2.518 2.625 . 0 0 "[ . 1 . 2]" 2
126 1 59 ASP H 1 59 ASP HB3 . . 3.020 2.793 2.743 2.855 . 0 0 "[ . 1 . 2]" 2
127 1 57 ARG HB3 1 59 ASP H . . 2.930 2.450 2.420 2.477 . 0 0 "[ . 1 . 2]" 2
128 1 57 ARG HB2 1 59 ASP H . . 3.040 2.899 2.865 2.961 . 0 0 "[ . 1 . 2]" 2
129 1 31 ARG HA 1 32 LEU H . . 3.520 2.203 2.140 2.372 . 0 0 "[ . 1 . 2]" 2
130 1 32 LEU H 1 32 LEU HB2 . . 3.610 2.460 2.339 2.700 . 0 0 "[ . 1 . 2]" 2
131 1 20 GLN HE21 1 20 GLN HG3 . . 3.540 2.213 2.142 2.290 . 0 0 "[ . 1 . 2]" 2
132 1 23 PHE H 1 23 PHE HB2 . . 2.840 2.441 2.419 2.450 . 0 0 "[ . 1 . 2]" 2
133 1 23 PHE H 1 23 PHE HB3 . . 3.610 3.599 3.592 3.604 . 0 0 "[ . 1 . 2]" 2
134 1 8 GLU H 1 8 GLU HG2 . . 5.410 3.847 2.194 4.835 . 0 0 "[ . 1 . 2]" 2
135 1 8 GLU H 1 8 GLU HG3 . . 5.410 3.980 2.402 4.765 . 0 0 "[ . 1 . 2]" 2
136 1 8 GLU H 1 8 GLU HB2 . . 4.060 2.688 2.181 3.987 . 0 0 "[ . 1 . 2]" 2
137 1 9 ILE H 1 9 ILE MG . . 4.040 2.983 2.077 3.984 . 0 0 "[ . 1 . 2]" 2
138 1 9 ILE H 1 9 ILE HG12 . . 3.860 2.792 1.985 3.606 . 0 0 "[ . 1 . 2]" 2
139 1 8 GLU HG2 1 9 ILE H . . 5.500 4.344 2.893 5.264 . 0 0 "[ . 1 . 2]" 2
140 1 8 GLU HG3 1 9 ILE H . . 5.500 4.307 2.733 5.429 . 0 0 "[ . 1 . 2]" 2
141 1 12 PHE H 1 12 PHE QD . . 4.800 3.116 2.224 4.326 . 0 0 "[ . 1 . 2]" 2
142 1 14 GLN H 1 14 GLN HG2 . . 5.270 3.218 2.069 4.569 . 0 0 "[ . 1 . 2]" 2
143 1 14 GLN H 1 14 GLN HG3 . . 5.270 3.308 2.065 5.169 . 0 0 "[ . 1 . 2]" 2
144 1 18 TRP HB2 1 19 VAL H . . 4.270 3.980 3.672 4.093 . 0 0 "[ . 1 . 2]" 2
145 1 19 VAL H 1 31 ARG HA . . 4.700 3.992 3.802 4.259 . 0 0 "[ . 1 . 2]" 2
146 1 19 VAL H 1 29 TRP HE3 . . 4.330 2.931 2.667 3.118 . 0 0 "[ . 1 . 2]" 2
147 1 19 VAL MG1 1 20 GLN H . . 3.930 3.751 3.709 3.838 . 0 0 "[ . 1 . 2]" 2
148 1 68 LEU HB2 1 69 GLU H . . 5.060 3.716 2.052 4.640 . 0 0 "[ . 1 . 2]" 2
149 1 68 LEU HB3 1 69 GLU H . . 5.060 3.820 1.959 4.490 . 0 0 "[ . 1 . 2]" 2
150 1 68 LEU HG 1 69 GLU H . . 5.260 3.412 2.294 4.323 . 0 0 "[ . 1 . 2]" 2
151 1 69 GLU H 1 69 GLU HG2 . . 5.400 3.810 2.138 4.893 . 0 0 "[ . 1 . 2]" 2
152 1 69 GLU H 1 69 GLU HG3 . . 5.400 3.602 2.069 4.613 . 0 0 "[ . 1 . 2]" 2
153 1 20 GLN H 1 29 TRP HZ3 . . 4.450 2.904 2.783 3.054 . 0 0 "[ . 1 . 2]" 2
154 1 20 GLN HB3 1 21 CYS H . . 4.380 3.974 3.935 4.041 . 0 0 "[ . 1 . 2]" 2
155 1 20 GLN HB2 1 21 CYS H . . 4.380 4.311 4.273 4.355 . 0 0 "[ . 1 . 2]" 2
156 1 21 CYS H 1 30 ARG HG2 . . 4.530 4.157 4.086 4.223 . 0 0 "[ . 1 . 2]" 2
157 1 21 CYS H 1 45 TRP HZ3 . . 4.050 3.551 3.515 3.671 . 0 0 "[ . 1 . 2]" 2
158 1 21 CYS H 1 45 TRP HE3 . . 4.660 4.442 4.397 4.479 . 0 0 "[ . 1 . 2]" 2
159 1 21 CYS H 1 27 GLY H . . 4.680 4.424 4.390 4.447 . 0 0 "[ . 1 . 2]" 2
160 1 20 GLN H 1 21 CYS H . . 4.610 4.510 4.482 4.528 . 0 0 "[ . 1 . 2]" 2
161 1 21 CYS H 1 30 ARG H . . 4.540 4.101 4.041 4.143 . 0 0 "[ . 1 . 2]" 2
162 1 22 SER H 1 47 CYS H . . 4.600 4.390 4.347 4.459 . 0 0 "[ . 1 . 2]" 2
163 1 22 SER H 1 45 TRP HZ3 . . 5.120 4.817 4.763 4.877 . 0 0 "[ . 1 . 2]" 2
164 1 21 CYS HB2 1 22 SER H . . 4.140 3.999 3.986 4.048 . 0 0 "[ . 1 . 2]" 2
165 1 22 SER H 1 46 SER HB3 . . 3.560 3.161 3.118 3.205 . 0 0 "[ . 1 . 2]" 2
166 1 23 PHE H 1 26 CYS HB2 . . 4.040 3.652 3.613 3.704 . 0 0 "[ . 1 . 2]" 2
167 1 23 PHE H 1 46 SER HB3 . . 3.950 3.935 3.898 3.952 0.002 14 0 "[ . 1 . 2]" 2
168 1 22 SER HB3 1 23 PHE H . . 4.240 3.031 2.935 3.150 . 0 0 "[ . 1 . 2]" 2
169 1 23 PHE H 1 23 PHE QE . . 4.920 4.533 4.474 4.583 . 0 0 "[ . 1 . 2]" 2
170 1 23 PHE H 1 27 GLY H . . 5.230 4.294 4.228 4.412 . 0 0 "[ . 1 . 2]" 2
171 1 24 PRO HB2 1 25 ASN H . . 4.110 2.930 2.927 2.934 . 0 0 "[ . 1 . 2]" 2
172 1 24 PRO HG3 1 25 ASN H . . 4.060 3.563 3.561 3.566 . 0 0 "[ . 1 . 2]" 2
173 1 24 PRO HB3 1 25 ASN H . . 4.510 3.908 3.906 3.910 . 0 0 "[ . 1 . 2]" 2
174 1 23 PHE HB3 1 25 ASN H . . 4.070 3.240 3.231 3.248 . 0 0 "[ . 1 . 2]" 2
175 1 24 PRO HD2 1 25 ASN H . . 4.320 2.741 2.739 2.743 . 0 0 "[ . 1 . 2]" 2
176 1 24 PRO HD3 1 25 ASN H . . 4.520 3.869 3.867 3.870 . 0 0 "[ . 1 . 2]" 2
177 1 23 PHE HA 1 25 ASN H . . 4.580 4.392 4.379 4.401 . 0 0 "[ . 1 . 2]" 2
178 1 24 PRO HG2 1 26 CYS H . . 4.550 4.505 4.500 4.511 . 0 0 "[ . 1 . 2]" 2
179 1 24 PRO HB2 1 26 CYS H . . 5.020 4.873 4.867 4.882 . 0 0 "[ . 1 . 2]" 2
180 1 21 CYS HB3 1 26 CYS H . . 4.750 4.516 4.501 4.531 . 0 0 "[ . 1 . 2]" 2
181 1 24 PRO HD2 1 26 CYS H . . 4.550 4.205 4.202 4.210 . 0 0 "[ . 1 . 2]" 2
182 1 26 CYS H 1 26 CYS HA . . 2.930 2.902 2.899 2.903 . 0 0 "[ . 1 . 2]" 2
183 1 23 PHE HA 1 26 CYS H . . 4.660 4.610 4.605 4.614 . 0 0 "[ . 1 . 2]" 2
184 1 26 CYS H 1 28 LYS H . . 5.110 5.049 5.039 5.062 . 0 0 "[ . 1 . 2]" 2
185 1 23 PHE H 1 26 CYS H . . 5.050 4.842 4.806 4.900 . 0 0 "[ . 1 . 2]" 2
186 1 20 GLN HG2 1 27 GLY H . . 4.440 4.299 4.248 4.336 . 0 0 "[ . 1 . 2]" 2
187 1 27 GLY H 1 28 LYS HG3 . . 4.610 4.382 4.337 4.421 . 0 0 "[ . 1 . 2]" 2
188 1 25 ASN H 1 27 GLY H . . 5.390 5.110 5.104 5.119 . 0 0 "[ . 1 . 2]" 2
189 1 28 LYS H 1 28 LYS HD2 . . 4.290 4.243 4.211 4.266 . 0 0 "[ . 1 . 2]" 2
190 1 26 CYS HB2 1 28 LYS H . . 4.330 4.105 4.096 4.120 . 0 0 "[ . 1 . 2]" 2
191 1 26 CYS HB3 1 28 LYS H . . 3.820 2.444 2.435 2.459 . 0 0 "[ . 1 . 2]" 2
192 1 26 CYS HA 1 28 LYS H . . 4.400 3.893 3.882 3.909 . 0 0 "[ . 1 . 2]" 2
193 1 28 LYS H 1 29 TRP H . . 4.580 4.565 4.560 4.569 . 0 0 "[ . 1 . 2]" 2
194 1 28 LYS HD3 1 29 TRP H . . 5.150 5.117 5.063 5.147 . 0 0 "[ . 1 . 2]" 2
195 1 29 TRP H 1 62 GLU HB3 . . 4.340 4.294 4.193 4.334 . 0 0 "[ . 1 . 2]" 2
196 1 29 TRP H 1 62 GLU HG3 . . 4.390 4.255 4.128 4.355 . 0 0 "[ . 1 . 2]" 2
197 1 29 TRP H 1 62 GLU HG2 . . 3.560 2.743 2.638 2.864 . 0 0 "[ . 1 . 2]" 2
198 1 18 TRP HE3 1 29 TRP H . . 5.160 4.905 4.715 5.166 0.006 1 0 "[ . 1 . 2]" 2
199 1 29 TRP H 1 30 ARG H . . 4.450 4.198 4.162 4.235 . 0 0 "[ . 1 . 2]" 2
200 1 28 LYS HB3 1 29 TRP H . . 3.280 2.848 2.803 2.879 . 0 0 "[ . 1 . 2]" 2
201 1 29 TRP H 1 29 TRP HB2 . . 2.910 2.355 2.322 2.395 . 0 0 "[ . 1 . 2]" 2
202 1 19 VAL MG2 1 30 ARG H . . 4.420 2.937 2.845 3.097 . 0 0 "[ . 1 . 2]" 2
203 1 19 VAL MG1 1 30 ARG H . . 5.310 5.283 5.219 5.310 . 0 0 "[ . 1 . 2]" 2
204 1 30 ARG H 1 30 ARG HB2 . . 3.580 2.528 2.517 2.542 . 0 0 "[ . 1 . 2]" 2
205 1 30 ARG H 1 30 ARG HG3 . . 4.120 3.516 3.475 3.548 . 0 0 "[ . 1 . 2]" 2
206 1 29 TRP HB3 1 30 ARG H . . 3.920 3.837 3.788 3.882 . 0 0 "[ . 1 . 2]" 2
207 1 30 ARG H 1 30 ARG HD3 . . 4.710 4.497 4.459 4.531 . 0 0 "[ . 1 . 2]" 2
208 1 30 ARG H 1 30 ARG HD2 . . 5.050 4.824 4.749 4.886 . 0 0 "[ . 1 . 2]" 2
209 1 20 GLN HA 1 30 ARG H . . 3.710 3.377 3.279 3.589 . 0 0 "[ . 1 . 2]" 2
210 1 18 TRP HE3 1 30 ARG H . . 4.330 4.233 3.901 4.334 0.004 4 0 "[ . 1 . 2]" 2
211 1 19 VAL H 1 30 ARG H . . 3.690 3.332 3.238 3.421 . 0 0 "[ . 1 . 2]" 2
212 1 30 ARG H 1 45 TRP HH2 . . 4.790 4.022 3.968 4.211 . 0 0 "[ . 1 . 2]" 2
213 1 30 ARG H 1 30 ARG HB3 . . 3.900 3.621 3.611 3.635 . 0 0 "[ . 1 . 2]" 2
214 1 18 TRP HZ3 1 31 ARG H . . 4.790 4.183 3.033 4.724 . 0 0 "[ . 1 . 2]" 2
215 1 32 LEU H 1 32 LEU MD2 . . 5.020 4.052 3.506 4.286 . 0 0 "[ . 1 . 2]" 2
216 1 32 LEU MD2 1 33 CYS H . . 4.610 2.910 2.495 3.237 . 0 0 "[ . 1 . 2]" 2
217 1 32 LEU HB2 1 33 CYS H . . 4.330 3.550 3.124 4.029 . 0 0 "[ . 1 . 2]" 2
218 1 32 LEU HG 1 33 CYS H . . 4.770 4.592 4.485 4.730 . 0 0 "[ . 1 . 2]" 2
219 1 36 ILE H 1 36 ILE HG13 . . 4.700 3.054 2.183 3.739 . 0 0 "[ . 1 . 2]" 2
220 1 36 ILE H 1 36 ILE HG12 . . 4.700 4.002 2.306 4.543 . 0 0 "[ . 1 . 2]" 2
221 1 36 ILE H 1 36 ILE HB . . 3.960 2.682 2.504 2.817 . 0 0 "[ . 1 . 2]" 2
222 1 39 SER H 1 40 VAL MG1 . . 5.380 4.347 3.935 4.591 . 0 0 "[ . 1 . 2]" 2
223 1 39 SER H 1 40 VAL H . . 3.920 2.591 2.267 2.854 . 0 0 "[ . 1 . 2]" 2
224 1 41 LEU H 1 41 LEU MD1 . . 4.760 3.745 3.412 4.123 . 0 0 "[ . 1 . 2]" 2
225 1 40 VAL MG2 1 41 LEU H . . 4.670 2.957 2.224 3.881 . 0 0 "[ . 1 . 2]" 2
226 1 42 PRO HB3 1 44 ASN H . . 4.370 4.062 4.005 4.115 . 0 0 "[ . 1 . 2]" 2
227 1 44 ASN H 1 44 ASN HB2 . . 3.910 3.209 2.339 3.741 . 0 0 "[ . 1 . 2]" 2
228 1 44 ASN H 1 45 TRP HB2 . . 4.580 4.577 4.547 4.592 0.012 9 0 "[ . 1 . 2]" 2
229 1 44 ASN H 1 45 TRP H . . 3.580 2.968 2.804 3.383 . 0 0 "[ . 1 . 2]" 2
230 1 43 ASP H 1 44 ASN H . . 3.690 2.316 2.036 2.567 . 0 0 "[ . 1 . 2]" 2
231 1 46 SER H 1 46 SER HB2 . . 4.030 3.769 3.750 3.786 . 0 0 "[ . 1 . 2]" 2
232 1 21 CYS HA 1 46 SER H . . 5.030 4.837 4.784 4.886 . 0 0 "[ . 1 . 2]" 2
233 1 45 TRP HE3 1 46 SER H . . 4.170 3.487 3.466 3.514 . 0 0 "[ . 1 . 2]" 2
234 1 45 TRP HD1 1 46 SER H . . 4.250 4.173 4.104 4.222 . 0 0 "[ . 1 . 2]" 2
235 1 46 SER H 1 47 CYS H . . 4.430 4.408 4.401 4.416 . 0 0 "[ . 1 . 2]" 2
236 1 21 CYS HA 1 47 CYS H . . 3.980 3.854 3.807 3.907 . 0 0 "[ . 1 . 2]" 2
237 1 45 TRP HZ3 1 47 CYS H . . 4.530 3.895 3.858 3.959 . 0 0 "[ . 1 . 2]" 2
238 1 45 TRP HE3 1 47 CYS H . . 4.850 4.630 4.595 4.662 . 0 0 "[ . 1 . 2]" 2
239 1 23 PHE QD 1 47 CYS H . . 4.480 4.127 4.096 4.156 . 0 0 "[ . 1 . 2]" 2
240 1 23 PHE H 1 47 CYS H . . 5.300 5.217 5.171 5.245 . 0 0 "[ . 1 . 2]" 2
241 1 48 ASP H 1 49 GLN HB2 . . 4.910 4.707 4.678 4.763 . 0 0 "[ . 1 . 2]" 2
242 1 48 ASP H 1 49 GLN HE21 . . 5.280 5.253 5.209 5.277 . 0 0 "[ . 1 . 2]" 2
243 1 47 CYS H 1 48 ASP H . . 3.570 2.672 2.653 2.701 . 0 0 "[ . 1 . 2]" 2
244 1 46 SER HA 1 48 ASP H . . 4.490 4.310 4.283 4.335 . 0 0 "[ . 1 . 2]" 2
245 1 46 SER HB2 1 48 ASP H . . 3.830 2.613 2.575 2.627 . 0 0 "[ . 1 . 2]" 2
246 1 48 ASP HB3 1 49 GLN H . . 3.840 3.186 3.165 3.206 . 0 0 "[ . 1 . 2]" 2
247 1 49 GLN H 1 50 ASN HA . . 4.930 4.760 4.746 4.778 . 0 0 "[ . 1 . 2]" 2
248 1 46 SER H 1 49 GLN H . . 3.810 3.353 3.330 3.378 . 0 0 "[ . 1 . 2]" 2
249 1 45 TRP HZ2 1 49 GLN H . . 4.670 4.261 4.221 4.292 . 0 0 "[ . 1 . 2]" 2
250 1 49 GLN H 1 49 GLN HE21 . . 4.410 4.322 4.269 4.346 . 0 0 "[ . 1 . 2]" 2
251 1 47 CYS H 1 49 GLN H . . 4.820 4.110 4.097 4.124 . 0 0 "[ . 1 . 2]" 2
252 1 45 TRP HE1 1 49 GLN H . . 4.980 4.786 4.728 4.822 . 0 0 "[ . 1 . 2]" 2
253 1 49 GLN HB3 1 50 ASN H . . 4.450 4.392 4.380 4.414 . 0 0 "[ . 1 . 2]" 2
254 1 50 ASN H 1 56 ASN HA . . 3.620 3.353 3.298 3.405 . 0 0 "[ . 1 . 2]" 2
255 1 48 ASP HA 1 50 ASN H . . 3.770 3.533 3.509 3.561 . 0 0 "[ . 1 . 2]" 2
256 1 50 ASN H 1 52 ASP H . . 5.470 5.459 5.433 5.474 0.004 5 0 "[ . 1 . 2]" 2
257 1 49 GLN H 1 50 ASN H . . 2.940 2.765 2.720 2.817 . 0 0 "[ . 1 . 2]" 2
258 1 50 ASN H 1 51 THR H . . 4.720 4.575 4.563 4.583 . 0 0 "[ . 1 . 2]" 2
259 1 51 THR H 1 52 ASP HB2 . . 4.780 4.414 4.324 4.511 . 0 0 "[ . 1 . 2]" 2
260 1 51 THR H 1 52 ASP HB3 . . 4.780 4.655 4.563 4.723 . 0 0 "[ . 1 . 2]" 2
261 1 50 ASN HB3 1 51 THR H . . 4.360 3.416 3.324 3.496 . 0 0 "[ . 1 . 2]" 2
262 1 50 ASN HB2 1 51 THR H . . 4.180 4.082 4.029 4.134 . 0 0 "[ . 1 . 2]" 2
263 1 51 THR H 1 51 THR HB . . 3.880 3.681 3.663 3.696 . 0 0 "[ . 1 . 2]" 2
264 1 45 TRP HZ2 1 51 THR H . . 4.320 4.125 4.079 4.163 . 0 0 "[ . 1 . 2]" 2
265 1 28 LYS HG2 1 30 ARG HH21 . . 4.650 4.012 3.956 4.087 . 0 0 "[ . 1 . 2]" 2
266 1 50 ASN HB2 1 52 ASP H . . 4.580 4.516 4.497 4.547 . 0 0 "[ . 1 . 2]" 2
267 1 51 THR HB 1 52 ASP H . . 4.320 4.059 3.988 4.134 . 0 0 "[ . 1 . 2]" 2
268 1 50 ASN HD21 1 52 ASP H . . 4.260 2.583 2.485 2.699 . 0 0 "[ . 1 . 2]" 2
269 1 53 VAL H 1 54 GLN HB2 . . 5.180 5.106 5.072 5.143 . 0 0 "[ . 1 . 2]" 2
270 1 52 ASP H 1 53 VAL H . . 4.310 4.322 4.312 4.332 0.022 13 0 "[ . 1 . 2]" 2
271 1 52 ASP HA 1 54 GLN H . . 4.040 3.519 3.502 3.534 . 0 0 "[ . 1 . 2]" 2
272 1 54 GLN H 1 55 TYR QD . . 4.040 3.919 3.819 4.028 . 0 0 "[ . 1 . 2]" 2
273 1 55 TYR H 1 60 ILE MG . . 4.760 4.477 4.444 4.543 . 0 0 "[ . 1 . 2]" 2
274 1 55 TYR H 1 56 ASN HB3 . . 4.180 3.625 3.620 3.634 . 0 0 "[ . 1 . 2]" 2
275 1 52 ASP HB3 1 55 TYR H . . 4.720 2.928 2.859 3.017 . 0 0 "[ . 1 . 2]" 2
276 1 54 GLN HG3 1 55 TYR H . . 4.560 4.390 4.332 4.447 . 0 0 "[ . 1 . 2]" 2
277 1 55 TYR H 1 56 ASN HA . . 4.470 4.437 4.431 4.445 . 0 0 "[ . 1 . 2]" 2
278 1 55 TYR H 1 55 TYR QE . . 5.320 4.922 4.819 5.034 . 0 0 "[ . 1 . 2]" 2
279 1 55 TYR H 1 57 ARG H . . 5.500 4.854 4.843 4.866 . 0 0 "[ . 1 . 2]" 2
280 1 50 ASN HD21 1 55 TYR H . . 4.260 3.227 3.170 3.266 . 0 0 "[ . 1 . 2]" 2
281 1 56 ASN H 1 60 ILE MG . . 4.460 4.336 4.315 4.377 . 0 0 "[ . 1 . 2]" 2
282 1 56 ASN H 1 57 ARG HG2 . . 3.920 3.732 3.676 3.793 . 0 0 "[ . 1 . 2]" 2
283 1 55 TYR HB2 1 56 ASN H . . 4.450 4.348 4.334 4.362 . 0 0 "[ . 1 . 2]" 2
284 1 50 ASN HB3 1 56 ASN H . . 4.460 4.283 4.234 4.336 . 0 0 "[ . 1 . 2]" 2
285 1 55 TYR HB3 1 56 ASN H . . 4.590 4.424 4.409 4.441 . 0 0 "[ . 1 . 2]" 2
286 1 53 VAL HA 1 56 ASN H . . 3.720 3.613 3.600 3.624 . 0 0 "[ . 1 . 2]" 2
287 1 55 TYR HA 1 56 ASN H . . 3.000 2.642 2.634 2.651 . 0 0 "[ . 1 . 2]" 2
288 1 56 ASN H 1 57 ARG H . . 3.010 2.503 2.486 2.519 . 0 0 "[ . 1 . 2]" 2
289 1 56 ASN H 1 56 ASN HD22 . . 4.520 3.495 3.478 3.513 . 0 0 "[ . 1 . 2]" 2
290 1 55 TYR H 1 56 ASN H . . 2.830 2.761 2.747 2.772 . 0 0 "[ . 1 . 2]" 2
291 1 56 ASN H 1 56 ASN HD21 . . 4.250 2.154 2.122 2.176 . 0 0 "[ . 1 . 2]" 2
292 1 54 GLN H 1 56 ASN H . . 4.660 4.649 4.625 4.668 0.008 10 0 "[ . 1 . 2]" 2
293 1 57 ARG H 1 60 ILE HG12 . . 4.850 4.772 4.712 4.832 . 0 0 "[ . 1 . 2]" 2
294 1 57 ARG H 1 60 ILE MG . . 4.460 4.295 4.274 4.325 . 0 0 "[ . 1 . 2]" 2
295 1 56 ASN HB2 1 57 ARG H . . 4.610 4.568 4.566 4.569 . 0 0 "[ . 1 . 2]" 2
296 1 47 CYS HA 1 57 ARG H . . 5.500 5.054 4.998 5.121 . 0 0 "[ . 1 . 2]" 2
297 1 50 ASN HB2 1 57 ARG H . . 5.500 5.062 5.015 5.119 . 0 0 "[ . 1 . 2]" 2
298 1 57 ARG H 1 60 ILE H . . 4.220 4.052 4.038 4.065 . 0 0 "[ . 1 . 2]" 2
299 1 25 ASN H 1 25 ASN HD22 . . 4.530 3.713 3.074 4.204 . 0 0 "[ . 1 . 2]" 2
300 1 57 ARG H 1 58 CYS H . . 4.580 4.442 4.433 4.450 . 0 0 "[ . 1 . 2]" 2
301 1 58 CYS H 1 60 ILE H . . 4.300 4.193 4.163 4.210 . 0 0 "[ . 1 . 2]" 2
302 1 48 ASP H 1 58 CYS H . . 5.210 4.880 4.791 4.950 . 0 0 "[ . 1 . 2]" 2
303 1 59 ASP H 1 60 ILE MD . . 4.560 4.331 4.279 4.407 . 0 0 "[ . 1 . 2]" 2
304 1 59 ASP H 1 60 ILE HG12 . . 5.470 5.286 5.245 5.347 . 0 0 "[ . 1 . 2]" 2
305 1 57 ARG HA 1 59 ASP H . . 3.830 3.824 3.807 3.834 0.004 13 0 "[ . 1 . 2]" 2
306 1 60 ILE H 1 60 ILE HB . . 2.600 2.514 2.508 2.520 . 0 0 "[ . 1 . 2]" 2
307 1 59 ASP HB2 1 60 ILE H . . 4.060 3.880 3.818 3.919 . 0 0 "[ . 1 . 2]" 2
308 1 28 LYS HE2 1 60 ILE H . . 5.420 5.375 5.306 5.420 . 20 0 "[ . 1 . 2]" 2
309 1 55 TYR HA 1 60 ILE H . . 5.190 5.109 5.075 5.140 . 0 0 "[ . 1 . 2]" 2
310 1 28 LYS HG2 1 62 GLU H . . 4.320 4.227 4.029 4.327 0.007 4 0 "[ . 1 . 2]" 2
311 1 28 LYS HB3 1 62 GLU H . . 4.780 4.705 4.525 4.790 0.010 9 0 "[ . 1 . 2]" 2
312 1 28 LYS HE2 1 62 GLU H . . 3.930 3.797 3.660 3.934 0.004 8 0 "[ . 1 . 2]" 2
313 1 63 GLU H 1 63 GLU HB2 . . 4.190 2.478 2.163 3.645 . 0 0 "[ . 1 . 2]" 2
314 1 62 GLU HB2 1 63 GLU H . . 4.470 3.733 3.440 4.165 . 0 0 "[ . 1 . 2]" 2
315 1 63 GLU H 1 63 GLU HG3 . . 5.130 3.876 2.564 4.746 . 0 0 "[ . 1 . 2]" 2
316 1 63 GLU HB2 1 64 THR H . . 4.830 4.037 2.014 4.568 . 0 0 "[ . 1 . 2]" 2
317 1 63 GLU HB3 1 64 THR H . . 4.830 3.358 1.959 4.602 . 0 0 "[ . 1 . 2]" 2
318 1 64 THR MG 1 65 TRP H . . 3.970 3.212 2.118 3.942 . 0 0 "[ . 1 . 2]" 2
319 1 64 THR HB 1 65 TRP H . . 3.830 3.211 2.382 3.817 . 0 0 "[ . 1 . 2]" 2
320 1 65 TRP H 1 65 TRP HD1 . . 4.580 3.531 2.556 4.577 . 0 0 "[ . 1 . 2]" 2
321 1 66 THR H 1 66 THR MG . . 4.370 2.870 1.960 3.945 . 0 0 "[ . 1 . 2]" 2
322 1 67 GLY H 1 68 LEU H . . 4.540 3.392 2.190 4.498 . 0 0 "[ . 1 . 2]" 2
323 1 32 LEU MD2 1 45 TRP HE1 . . 4.440 3.417 2.646 4.034 . 0 0 "[ . 1 . 2]" 2
324 1 41 LEU MD2 1 45 TRP HE1 . . 3.950 2.895 2.763 3.038 . 0 0 "[ . 1 . 2]" 2
325 1 45 TRP HE1 1 49 GLN HB2 . . 3.820 2.957 2.861 3.003 . 0 0 "[ . 1 . 2]" 2
326 1 45 TRP HE1 1 49 GLN HB3 . . 3.840 2.363 2.332 2.397 . 0 0 "[ . 1 . 2]" 2
327 1 45 TRP HB2 1 45 TRP HE1 . . 4.970 4.771 4.769 4.774 . 0 0 "[ . 1 . 2]" 2
328 1 20 GLN HG3 1 29 TRP HE1 . . 4.720 3.409 3.114 3.604 . 0 0 "[ . 1 . 2]" 2
329 1 29 TRP HB2 1 29 TRP HE1 . . 4.920 4.776 4.768 4.785 . 0 0 "[ . 1 . 2]" 2
330 1 20 GLN HE21 1 29 TRP HE1 . . 3.810 3.165 3.002 3.381 . 0 0 "[ . 1 . 2]" 2
331 1 29 TRP H 1 29 TRP HE1 . . 5.480 5.296 5.173 5.418 . 0 0 "[ . 1 . 2]" 2
332 1 53 VAL HB 1 56 ASN HD21 . . 4.160 3.376 3.363 3.404 . 0 0 "[ . 1 . 2]" 2
333 1 28 LYS HD3 1 30 ARG HE . . 5.180 4.309 4.203 4.409 . 0 0 "[ . 1 . 2]" 2
334 1 30 ARG HE 1 47 CYS HA . . 5.500 5.435 5.375 5.487 . 0 0 "[ . 1 . 2]" 2
335 1 30 ARG HE 1 47 CYS HB3 . . 5.450 5.153 5.081 5.225 . 0 0 "[ . 1 . 2]" 2
336 1 49 GLN HB2 1 49 GLN HE21 . . 4.320 3.560 3.498 3.602 . 0 0 "[ . 1 . 2]" 2
337 1 46 SER HB3 1 49 GLN HE21 . . 4.460 4.350 4.256 4.414 . 0 0 "[ . 1 . 2]" 2
338 1 45 TRP HA 1 49 GLN HE21 . . 3.630 3.092 3.067 3.120 . 0 0 "[ . 1 . 2]" 2
339 1 42 PRO HG3 1 49 GLN HE22 . . 4.380 3.792 3.507 4.021 . 0 0 "[ . 1 . 2]" 2
340 1 49 GLN HB2 1 49 GLN HE22 . . 4.840 4.150 4.118 4.176 . 0 0 "[ . 1 . 2]" 2
341 1 25 ASN H 1 25 ASN HD21 . . 4.530 3.021 2.012 4.282 . 0 0 "[ . 1 . 2]" 2
342 1 54 GLN HB2 1 54 GLN HE21 . . 4.590 4.495 4.286 4.586 . 0 0 "[ . 1 . 2]" 2
343 1 30 ARG HB3 1 50 ASN HD22 . . 4.520 2.723 2.644 2.830 . 0 0 "[ . 1 . 2]" 2
344 1 50 ASN HD22 1 52 ASP HB3 . . 4.310 2.406 2.280 2.495 . 0 0 "[ . 1 . 2]" 2
345 1 50 ASN HB2 1 50 ASN HD22 . . 4.090 3.880 3.857 3.898 . 0 0 "[ . 1 . 2]" 2
346 1 50 ASN HA 1 50 ASN HD22 . . 4.730 4.414 4.393 4.438 . 0 0 "[ . 1 . 2]" 2
347 1 30 ARG HB3 1 50 ASN HD21 . . 4.550 3.523 3.404 3.651 . 0 0 "[ . 1 . 2]" 2
348 1 50 ASN HA 1 50 ASN HD21 . . 4.790 4.215 4.182 4.254 . 0 0 "[ . 1 . 2]" 2
349 1 50 ASN HD21 1 55 TYR HA . . 5.240 4.534 4.503 4.572 . 0 0 "[ . 1 . 2]" 2
350 1 50 ASN HD21 1 52 ASP HB3 . . 4.600 2.428 2.338 2.519 . 0 0 "[ . 1 . 2]" 2
351 1 20 GLN HE22 1 27 GLY HA2 . . 4.200 4.047 3.899 4.172 . 0 0 "[ . 1 . 2]" 2
352 1 20 GLN HE22 1 29 TRP HE1 . . 4.850 3.964 3.524 4.279 . 0 0 "[ . 1 . 2]" 2
353 1 20 GLN HE21 1 27 GLY HA3 . . 4.080 3.570 3.359 3.875 . 0 0 "[ . 1 . 2]" 2
354 1 20 GLN HE21 1 27 GLY HA2 . . 3.990 3.322 3.133 3.588 . 0 0 "[ . 1 . 2]" 2
355 1 18 TRP HA 1 30 ARG H . . 5.270 5.115 4.994 5.251 . 0 0 "[ . 1 . 2]" 2
356 1 25 ASN HB2 1 26 CYS H . . 4.410 3.695 2.997 4.167 . 0 0 "[ . 1 . 2]" 2
357 1 45 TRP HE1 1 49 GLN HG2 . . 4.780 4.748 4.716 4.781 0.001 17 0 "[ . 1 . 2]" 2
358 1 45 TRP HE1 1 51 THR MG . . 5.080 4.907 4.785 4.978 . 0 0 "[ . 1 . 2]" 2
359 1 45 TRP HE1 1 46 SER H . . 4.800 4.695 4.617 4.746 . 0 0 "[ . 1 . 2]" 2
360 1 48 ASP H 1 48 ASP HB2 . . 3.020 2.633 2.567 2.696 . 0 0 "[ . 1 . 2]" 2
361 1 53 VAL H 1 55 TYR H . . 4.270 4.231 4.222 4.241 . 0 0 "[ . 1 . 2]" 2
362 1 23 PHE H 1 23 PHE QD . . 3.720 2.942 2.870 3.004 . 0 0 "[ . 1 . 2]" 2
363 1 18 TRP HB3 1 30 ARG H . . 4.800 4.656 4.459 4.798 . 0 0 "[ . 1 . 2]" 2
364 1 30 ARG H 1 31 ARG H . . 4.870 4.575 4.431 4.611 . 0 0 "[ . 1 . 2]" 2
365 1 29 TRP H 1 62 GLU HB2 . . 5.340 5.330 5.270 5.347 0.007 12 0 "[ . 1 . 2]" 2
366 1 20 GLN HG2 1 29 TRP HE1 . . 5.500 5.065 4.830 5.226 . 0 0 "[ . 1 . 2]" 2
367 1 25 ASN H 1 25 ASN HB3 . . 3.640 2.842 2.288 3.590 . 0 0 "[ . 1 . 2]" 2
368 1 22 SER HB2 1 23 PHE H . . 4.240 4.207 4.134 4.243 0.003 17 0 "[ . 1 . 2]" 2
369 1 36 ILE HB 1 37 ASP H . . 5.120 3.971 3.747 4.118 . 0 0 "[ . 1 . 2]" 2
370 1 39 SER HB3 1 40 VAL H . . 4.920 3.313 2.360 4.262 . 0 0 "[ . 1 . 2]" 2
371 1 45 TRP H 1 46 SER H . . 4.770 4.616 4.575 4.634 . 0 0 "[ . 1 . 2]" 2
372 1 45 TRP HE1 1 50 ASN H . . 5.170 4.956 4.906 5.002 . 0 0 "[ . 1 . 2]" 2
373 1 19 VAL MG2 1 45 TRP HE1 . . 5.100 3.885 3.763 3.976 . 0 0 "[ . 1 . 2]" 2
374 1 46 SER H 1 46 SER HB3 . . 3.680 3.480 3.463 3.500 . 0 0 "[ . 1 . 2]" 2
375 1 45 TRP HH2 1 47 CYS H . . 4.940 4.865 4.819 4.933 . 0 0 "[ . 1 . 2]" 2
376 1 49 GLN H 1 56 ASN HB2 . . 5.500 5.470 5.407 5.502 0.002 13 0 "[ . 1 . 2]" 2
377 1 45 TRP HB2 1 49 GLN HE21 . . 5.500 5.483 5.442 5.505 0.005 10 0 "[ . 1 . 2]" 2
378 1 46 SER HB2 1 49 GLN HE21 . . 4.940 4.753 4.652 4.801 . 0 0 "[ . 1 . 2]" 2
379 1 52 ASP H 1 53 VAL MG1 . . 5.290 5.197 5.173 5.216 . 0 0 "[ . 1 . 2]" 2
380 1 53 VAL H 1 56 ASN HD21 . . 4.970 4.610 4.598 4.631 . 0 0 "[ . 1 . 2]" 2
381 1 52 ASP HB2 1 54 GLN H . . 4.850 4.621 4.594 4.646 . 0 0 "[ . 1 . 2]" 2
382 1 52 ASP HB3 1 54 GLN H . . 4.850 3.751 3.657 3.842 . 0 0 "[ . 1 . 2]" 2
383 1 54 GLN H 1 55 TYR QE . . 5.450 5.264 5.076 5.450 0.000 3 0 "[ . 1 . 2]" 2
384 1 56 ASN H 1 60 ILE HG12 . . 5.110 4.980 4.936 5.034 . 0 0 "[ . 1 . 2]" 2
385 1 58 CYS H 1 60 ILE MD . . 5.230 5.023 4.969 5.079 . 0 0 "[ . 1 . 2]" 2
386 1 58 CYS H 1 59 ASP HB2 . . 4.610 4.278 4.226 4.331 . 0 0 "[ . 1 . 2]" 2
387 1 57 ARG HD2 1 58 CYS H . . 4.920 4.522 4.375 4.607 . 0 0 "[ . 1 . 2]" 2
388 1 59 ASP H 1 60 ILE MG . . 5.500 5.449 5.416 5.513 0.013 19 0 "[ . 1 . 2]" 2
389 1 47 CYS HB2 1 59 ASP H . . 5.150 4.829 4.798 4.867 . 0 0 "[ . 1 . 2]" 2
390 1 57 ARG HD2 1 59 ASP H . . 4.520 4.470 4.405 4.528 0.008 6 0 "[ . 1 . 2]" 2
391 1 50 ASN HD21 1 52 ASP HB2 . . 4.600 3.723 3.634 3.792 . 0 0 "[ . 1 . 2]" 2
392 1 30 ARG HH12 1 60 ILE H . . 3.850 3.749 3.673 3.818 . 0 0 "[ . 1 . 2]" 2
393 1 30 ARG HH11 1 60 ILE H . . 4.690 4.392 4.286 4.469 . 0 0 "[ . 1 . 2]" 2
394 1 33 CYS HB2 1 34 GLY H . . 4.700 3.267 2.004 4.059 . 0 0 "[ . 1 . 2]" 2
395 1 34 GLY H 1 35 ASN H . . 4.410 2.353 1.883 4.375 . 0 0 "[ . 1 . 2]" 2
396 1 29 TRP HA 1 30 ARG HE . . 4.880 4.500 4.409 4.589 . 0 0 "[ . 1 . 2]" 2
397 1 44 ASN H 1 44 ASN HD21 . . 4.540 4.085 3.120 4.545 0.005 7 0 "[ . 1 . 2]" 2
398 1 34 GLY H 1 35 ASN HD22 . . 4.780 4.442 3.795 4.781 0.001 17 0 "[ . 1 . 2]" 2
399 1 34 GLY H 1 35 ASN HD21 . . 4.780 4.142 2.699 4.785 0.005 14 0 "[ . 1 . 2]" 2
400 1 16 LEU H 1 17 VAL H . . 4.340 3.880 2.493 4.295 . 0 0 "[ . 1 . 2]" 2
401 1 20 GLN HG2 1 27 GLY HA2 . . 3.820 2.450 2.369 2.499 . 0 0 "[ . 1 . 2]" 2
402 1 60 ILE HB 1 60 ILE MD . . 2.830 2.183 2.175 2.191 . 0 0 "[ . 1 . 2]" 2
403 1 55 TYR H 1 60 ILE MD . . 3.830 3.587 3.560 3.642 . 0 0 "[ . 1 . 2]" 2
404 1 30 ARG HD2 1 30 ARG HH21 . . 4.440 4.413 4.413 4.415 . 0 0 "[ . 1 . 2]" 2
405 1 30 ARG HA 1 30 ARG HD2 . . 4.130 4.009 3.969 4.053 . 0 0 "[ . 1 . 2]" 2
406 1 30 ARG HD3 1 55 TYR HB3 . . 3.600 2.036 1.996 2.098 . 0 0 "[ . 1 . 2]" 2
407 1 30 ARG HA 1 30 ARG HD3 . . 3.720 2.781 2.731 2.849 . 0 0 "[ . 1 . 2]" 2
408 1 30 ARG HB3 1 30 ARG HD3 . . 3.700 2.160 2.133 2.184 . 0 0 "[ . 1 . 2]" 2
409 1 9 ILE HB 1 9 ILE MD . . 3.470 2.383 1.998 3.230 . 0 0 "[ . 1 . 2]" 2
410 1 36 ILE HA 1 36 ILE MD . . 3.970 3.604 2.068 3.881 . 0 0 "[ . 1 . 2]" 2
411 1 32 LEU HB3 1 36 ILE MD . . 4.140 2.478 2.034 3.574 . 0 0 "[ . 1 . 2]" 2
412 1 57 ARG HB3 1 57 ARG HD3 . . 3.490 2.583 2.538 2.653 . 0 0 "[ . 1 . 2]" 2
413 1 57 ARG HD3 1 57 ARG HG2 . . 2.770 2.402 2.382 2.423 . 0 0 "[ . 1 . 2]" 2
414 1 57 ARG HB3 1 57 ARG HD2 . . 3.360 2.278 2.230 2.319 . 0 0 "[ . 1 . 2]" 2
415 1 57 ARG HD2 1 57 ARG HG3 . . 2.790 2.493 2.470 2.515 . 0 0 "[ . 1 . 2]" 2
416 1 28 LYS HE2 1 61 PRO HA . . 3.230 2.395 2.271 2.525 . 0 0 "[ . 1 . 2]" 2
417 1 28 LYS HE2 1 28 LYS HG3 . . 3.900 3.712 3.681 3.739 . 0 0 "[ . 1 . 2]" 2
418 1 28 LYS HE2 1 28 LYS HG2 . . 3.840 3.709 3.686 3.733 . 0 0 "[ . 1 . 2]" 2
419 1 28 LYS HE3 1 62 GLU H . . 3.660 3.181 2.982 3.337 . 0 0 "[ . 1 . 2]" 2
420 1 28 LYS HE3 1 61 PRO HA . . 3.280 2.949 2.794 3.021 . 0 0 "[ . 1 . 2]" 2
421 1 28 LYS HE3 1 28 LYS HG3 . . 3.430 3.170 3.140 3.202 . 0 0 "[ . 1 . 2]" 2
422 1 28 LYS HB3 1 28 LYS HE3 . . 4.470 4.258 4.215 4.302 . 0 0 "[ . 1 . 2]" 2
423 1 28 LYS HE3 1 28 LYS HG2 . . 3.370 2.531 2.489 2.585 . 0 0 "[ . 1 . 2]" 2
424 1 37 ASP H 1 37 ASP HB3 . . 3.920 3.303 3.241 3.363 . 0 0 "[ . 1 . 2]" 2
425 1 41 LEU HB2 1 41 LEU MD1 . . 3.460 2.184 2.087 2.256 . 0 0 "[ . 1 . 2]" 2
426 1 41 LEU HB3 1 41 LEU MD1 . . 3.630 2.492 2.445 2.567 . 0 0 "[ . 1 . 2]" 2
427 1 55 TYR QD 1 60 ILE MG . . 2.940 2.123 2.062 2.197 . 0 0 "[ . 1 . 2]" 2
428 1 54 GLN HB2 1 55 TYR QD . . 3.300 2.068 2.032 2.098 . 0 0 "[ . 1 . 2]" 2
429 1 54 GLN HB3 1 55 TYR QD . . 3.590 3.234 3.162 3.299 . 0 0 "[ . 1 . 2]" 2
430 1 43 ASP HB2 1 44 ASN H . . 4.590 3.341 2.944 4.206 . 0 0 "[ . 1 . 2]" 2
431 1 43 ASP HB3 1 44 ASN H . . 4.590 3.622 2.958 4.147 . 0 0 "[ . 1 . 2]" 2
432 1 59 ASP HA 1 59 ASP HB2 . . 2.810 2.614 2.587 2.649 . 0 0 "[ . 1 . 2]" 2
433 1 59 ASP HA 1 59 ASP HB3 . . 3.010 2.999 2.986 3.008 . 0 0 "[ . 1 . 2]" 2
434 1 48 ASP HA 1 48 ASP HB2 . . 2.880 2.417 2.391 2.447 . 0 0 "[ . 1 . 2]" 2
435 1 12 PHE HA 1 12 PHE QD . . 3.890 2.936 2.051 3.726 . 0 0 "[ . 1 . 2]" 2
436 1 50 ASN HB3 1 56 ASN HB3 . . 3.700 2.905 2.869 2.935 . 0 0 "[ . 1 . 2]" 2
437 1 23 PHE HA 1 23 PHE QD . . 3.280 2.380 2.321 2.421 . 0 0 "[ . 1 . 2]" 2
438 1 56 ASN HB2 1 56 ASN HD21 . . 3.550 3.508 3.505 3.513 . 0 0 "[ . 1 . 2]" 2
439 1 53 VAL HA 1 56 ASN HB2 . . 3.770 3.761 3.752 3.773 0.003 6 0 "[ . 1 . 2]" 2
440 1 50 ASN HB3 1 56 ASN HB2 . . 3.760 2.791 2.749 2.823 . 0 0 "[ . 1 . 2]" 2
441 1 48 ASP HA 1 56 ASN HB2 . . 3.910 3.763 3.700 3.822 . 0 0 "[ . 1 . 2]" 2
442 1 28 LYS HB3 1 62 GLU HG3 . . 3.840 2.583 2.419 2.736 . 0 0 "[ . 1 . 2]" 2
443 1 44 ASN H 1 44 ASN HB3 . . 3.910 3.078 2.582 3.738 . 0 0 "[ . 1 . 2]" 2
444 1 23 PHE HB3 1 26 CYS HB2 . . 3.740 3.279 3.233 3.305 . 0 0 "[ . 1 . 2]" 2
445 1 57 ARG HB3 1 60 ILE MD . . 3.690 3.486 3.464 3.516 . 0 0 "[ . 1 . 2]" 2
446 1 57 ARG HB2 1 57 ARG HD2 . . 3.730 3.255 3.232 3.277 . 0 0 "[ . 1 . 2]" 2
447 1 57 ARG HB2 1 60 ILE HG12 . . 3.930 3.546 3.532 3.565 . 0 0 "[ . 1 . 2]" 2
448 1 23 PHE QD 1 46 SER HB2 . . 3.440 3.433 3.413 3.445 0.005 10 0 "[ . 1 . 2]" 2
449 1 46 SER HB3 1 47 CYS H . . 3.710 3.418 3.398 3.440 . 0 0 "[ . 1 . 2]" 2
450 1 23 PHE QD 1 46 SER HB3 . . 3.430 3.396 3.343 3.435 0.005 9 0 "[ . 1 . 2]" 2
451 1 46 SER HA 1 46 SER HB3 . . 3.020 2.342 2.337 2.347 . 0 0 "[ . 1 . 2]" 2
452 1 45 TRP HH2 1 47 CYS HA . . 3.410 2.603 2.556 2.670 . 0 0 "[ . 1 . 2]" 2
453 1 45 TRP HZ3 1 47 CYS HA . . 3.810 3.153 3.066 3.190 . 0 0 "[ . 1 . 2]" 2
454 1 29 TRP HB2 1 29 TRP HD1 . . 3.370 2.625 2.599 2.651 . 0 0 "[ . 1 . 2]" 2
455 1 19 VAL HB 1 20 GLN H . . 3.740 3.199 2.995 3.408 . 0 0 "[ . 1 . 2]" 2
456 1 54 GLN HA 1 54 GLN HG3 . . 3.540 3.535 3.522 3.552 0.012 8 0 "[ . 1 . 2]" 2
457 1 53 VAL MG2 1 54 GLN HG3 . . 3.820 3.008 2.934 3.058 . 0 0 "[ . 1 . 2]" 2
458 1 54 GLN H 1 54 GLN HG2 . . 3.720 2.738 2.689 2.786 . 0 0 "[ . 1 . 2]" 2
459 1 49 GLN HB3 1 49 GLN HG2 . . 2.710 2.396 2.390 2.402 . 0 0 "[ . 1 . 2]" 2
460 1 28 LYS HB3 1 62 GLU HG2 . . 3.810 2.017 1.996 2.070 . 0 0 "[ . 1 . 2]" 2
461 1 42 PRO HD2 1 45 TRP HD1 . . 3.470 2.398 2.295 2.569 . 0 0 "[ . 1 . 2]" 2
462 1 45 TRP HB2 1 45 TRP HD1 . . 3.230 2.609 2.603 2.619 . 0 0 "[ . 1 . 2]" 2
463 1 42 PRO HG3 1 45 TRP HD1 . . 3.900 3.138 2.958 3.288 . 0 0 "[ . 1 . 2]" 2
464 1 45 TRP HD1 1 49 GLN HB3 . . 4.170 3.083 3.034 3.116 . 0 0 "[ . 1 . 2]" 2
465 1 41 LEU MD2 1 45 TRP HD1 . . 3.660 2.314 2.097 2.613 . 0 0 "[ . 1 . 2]" 2
466 1 38 PRO HA 1 41 LEU HG . . 3.850 3.455 2.772 3.776 . 0 0 "[ . 1 . 2]" 2
467 1 61 PRO HB3 1 62 GLU H . . 3.680 3.528 3.481 3.570 . 0 0 "[ . 1 . 2]" 2
468 1 61 PRO HB2 1 62 GLU H . . 3.680 2.755 2.667 2.830 . 0 0 "[ . 1 . 2]" 2
469 1 20 GLN HG3 1 21 CYS H . . 3.930 3.616 3.435 3.800 . 0 0 "[ . 1 . 2]" 2
470 1 20 GLN HE22 1 20 GLN HG3 . . 3.680 3.474 3.446 3.505 . 0 0 "[ . 1 . 2]" 2
471 1 20 GLN HA 1 20 GLN HG3 . . 3.410 2.658 2.559 2.798 . 0 0 "[ . 1 . 2]" 2
472 1 61 PRO HA 1 62 GLU HA . . 4.970 4.325 4.316 4.330 . 0 0 "[ . 1 . 2]" 2
473 1 39 SER H 1 39 SER HB2 . . 3.510 2.576 2.194 3.503 . 0 0 "[ . 1 . 2]" 2
474 1 21 CYS HB2 1 28 LYS H . . 3.340 2.980 2.904 3.056 . 0 0 "[ . 1 . 2]" 2
475 1 21 CYS HB2 1 47 CYS H . . 3.850 3.738 3.652 3.839 . 0 0 "[ . 1 . 2]" 2
476 1 21 CYS HB2 1 27 GLY H . . 4.070 3.915 3.862 3.974 . 0 0 "[ . 1 . 2]" 2
477 1 21 CYS HB2 1 45 TRP HZ3 . . 3.810 3.535 3.507 3.550 . 0 0 "[ . 1 . 2]" 2
478 1 21 CYS HB3 1 26 CYS HB3 . . 3.940 2.042 2.013 2.061 . 0 0 "[ . 1 . 2]" 2
479 1 53 VAL HA 1 56 ASN HD21 . . 3.340 1.999 1.987 2.016 . 0 0 "[ . 1 . 2]" 2
480 1 53 VAL HA 1 55 TYR H . . 3.870 3.752 3.732 3.774 . 0 0 "[ . 1 . 2]" 2
481 1 53 VAL HA 1 56 ASN HD22 . . 3.310 3.039 3.013 3.066 . 0 0 "[ . 1 . 2]" 2
482 1 53 VAL HA 1 56 ASN HB3 . . 3.240 2.312 2.300 2.324 . 0 0 "[ . 1 . 2]" 2
483 1 53 VAL HA 1 53 VAL HB . . 2.650 2.438 2.432 2.441 . 0 0 "[ . 1 . 2]" 2
484 1 23 PHE HB2 1 26 CYS HB3 . . 3.570 3.576 3.572 3.582 0.012 8 0 "[ . 1 . 2]" 2
485 1 23 PHE HB2 1 26 CYS HB2 . . 3.360 2.063 2.056 2.088 . 0 0 "[ . 1 . 2]" 2
486 1 51 THR HA 1 51 THR HB . . 2.710 2.430 2.380 2.479 . 0 0 "[ . 1 . 2]" 2
487 1 51 THR HA 1 51 THR MG . . 2.630 2.375 2.307 2.476 . 0 0 "[ . 1 . 2]" 2
488 1 62 GLU H 1 62 GLU HB3 . . 3.610 3.594 3.579 3.604 . 0 0 "[ . 1 . 2]" 2
489 1 18 TRP HB2 1 29 TRP HE3 . . 3.420 2.926 2.691 3.146 . 0 0 "[ . 1 . 2]" 2
490 1 21 CYS HA 1 45 TRP HZ3 . . 3.890 2.695 2.630 2.794 . 0 0 "[ . 1 . 2]" 2
491 1 21 CYS HA 1 45 TRP HE3 . . 3.130 2.383 2.362 2.400 . 0 0 "[ . 1 . 2]" 2
492 1 45 TRP HA 1 45 TRP HD1 . . 3.710 3.394 3.354 3.420 . 0 0 "[ . 1 . 2]" 2
493 1 42 PRO HB2 1 45 TRP HA . . 4.460 4.082 3.845 4.252 . 0 0 "[ . 1 . 2]" 2
494 1 42 PRO HG3 1 45 TRP HA . . 4.730 3.840 3.567 4.058 . 0 0 "[ . 1 . 2]" 2
495 1 58 CYS H 1 58 CYS HB3 . . 3.690 3.562 3.557 3.571 . 0 0 "[ . 1 . 2]" 2
496 1 58 CYS HA 1 58 CYS HB3 . . 2.970 2.585 2.572 2.594 . 0 0 "[ . 1 . 2]" 2
497 1 47 CYS HB2 1 58 CYS HA . . 3.810 2.735 2.705 2.758 . 0 0 "[ . 1 . 2]" 2
498 1 47 CYS H 1 47 CYS HB3 . . 3.630 3.585 3.584 3.587 . 0 0 "[ . 1 . 2]" 2
499 1 47 CYS HB3 1 48 ASP H . . 4.100 3.946 3.918 3.964 . 0 0 "[ . 1 . 2]" 2
500 1 47 CYS HB3 1 58 CYS HA . . 3.940 3.479 3.440 3.505 . 0 0 "[ . 1 . 2]" 2
501 1 58 CYS HB2 1 59 ASP H . . 3.670 3.601 3.505 3.649 . 0 0 "[ . 1 . 2]" 2
502 1 28 LYS HD3 1 61 PRO HA . . 3.650 3.112 2.963 3.166 . 0 0 "[ . 1 . 2]" 2
503 1 28 LYS HB2 1 28 LYS HD2 . . 3.500 2.547 2.525 2.565 . 0 0 "[ . 1 . 2]" 2
504 1 28 LYS HB3 1 28 LYS HD3 . . 3.790 2.448 2.433 2.469 . 0 0 "[ . 1 . 2]" 2
505 1 9 ILE HA 1 9 ILE HG13 . . 4.240 3.531 3.083 3.780 . 0 0 "[ . 1 . 2]" 2
506 1 45 TRP HH2 1 50 ASN HB2 . . 4.040 2.932 2.888 2.959 . 0 0 "[ . 1 . 2]" 2
507 1 30 ARG HB2 1 45 TRP HH2 . . 3.790 2.017 1.994 2.183 . 0 0 "[ . 1 . 2]" 2
508 1 30 ARG HB3 1 45 TRP HH2 . . 3.910 2.915 2.843 2.993 . 0 0 "[ . 1 . 2]" 2
509 1 18 TRP HE3 1 29 TRP HB3 . . 3.280 2.229 2.008 2.563 . 0 0 "[ . 1 . 2]" 2
510 1 19 VAL MG1 1 45 TRP HB3 . . 4.640 4.637 4.579 4.649 0.009 3 0 "[ . 1 . 2]" 2
511 1 45 TRP HB3 1 45 TRP HE3 . . 3.500 2.674 2.653 2.689 . 0 0 "[ . 1 . 2]" 2
512 1 42 PRO HB2 1 45 TRP HB2 . . 4.320 3.830 3.670 4.022 . 0 0 "[ . 1 . 2]" 2
513 1 36 ILE HA 1 37 ASP H . . 3.140 2.208 2.164 2.268 . 0 0 "[ . 1 . 2]" 2
514 1 36 ILE HA 1 36 ILE MG . . 3.160 2.303 2.208 2.378 . 0 0 "[ . 1 . 2]" 2
515 1 33 CYS HB3 1 34 GLY H . . 4.700 2.500 1.952 3.500 . 0 0 "[ . 1 . 2]" 2
516 1 20 GLN H 1 20 GLN HB2 . . 3.720 2.548 2.451 2.635 . 0 0 "[ . 1 . 2]" 2
517 1 20 GLN H 1 20 GLN HB3 . . 3.720 2.701 2.645 2.741 . 0 0 "[ . 1 . 2]" 2
518 1 19 VAL HA 1 29 TRP HZ3 . . 3.890 2.602 2.321 2.817 . 0 0 "[ . 1 . 2]" 2
519 1 60 ILE HA 1 60 ILE HG13 . . 3.380 2.803 2.778 2.829 . 0 0 "[ . 1 . 2]" 2
520 1 60 ILE HG13 1 60 ILE MG . . 3.270 3.170 3.163 3.177 . 0 0 "[ . 1 . 2]" 2
521 1 60 ILE H 1 60 ILE HG12 . . 3.740 3.610 3.593 3.630 . 0 0 "[ . 1 . 2]" 2
522 1 60 ILE HA 1 60 ILE HG12 . . 3.260 2.705 2.688 2.722 . 0 0 "[ . 1 . 2]" 2
523 1 60 ILE HA 1 61 PRO HG2 . . 4.350 4.247 4.220 4.275 . 0 0 "[ . 1 . 2]" 2
524 1 60 ILE HA 1 60 ILE MD . . 3.950 3.880 3.877 3.882 . 0 0 "[ . 1 . 2]" 2
525 1 23 PHE HA 1 24 PRO HG2 . . 4.520 4.398 4.388 4.406 . 0 0 "[ . 1 . 2]" 2
526 1 23 PHE HA 1 24 PRO HG3 . . 4.590 4.394 4.388 4.398 . 0 0 "[ . 1 . 2]" 2
527 1 28 LYS HA 1 28 LYS HG3 . . 3.240 3.117 3.095 3.146 . 0 0 "[ . 1 . 2]" 2
528 1 57 ARG H 1 57 ARG HG2 . . 3.900 3.198 3.163 3.238 . 0 0 "[ . 1 . 2]" 2
529 1 57 ARG H 1 57 ARG HG3 . . 4.430 3.742 3.687 3.820 . 0 0 "[ . 1 . 2]" 2
530 1 57 ARG HG3 1 60 ILE MD . . 3.260 2.036 1.981 2.109 . 0 0 "[ . 1 . 2]" 2
531 1 32 LEU HA 1 32 LEU HG . . 3.940 2.876 2.724 3.088 . 0 0 "[ . 1 . 2]" 2
532 1 29 TRP HA 1 29 TRP HE3 . . 3.860 3.032 2.904 3.140 . 0 0 "[ . 1 . 2]" 2
533 1 18 TRP HB3 1 29 TRP HE3 . . 3.800 2.226 2.072 2.397 . 0 0 "[ . 1 . 2]" 2
534 1 62 GLU HA 1 63 GLU H . . 3.180 2.355 2.190 2.532 . 0 0 "[ . 1 . 2]" 2
535 1 30 ARG HH21 1 62 GLU HA . . 3.820 2.185 2.098 2.235 . 0 0 "[ . 1 . 2]" 2
536 1 30 ARG HH22 1 62 GLU HA . . 3.740 2.372 2.334 2.465 . 0 0 "[ . 1 . 2]" 2
537 1 62 GLU HA 1 62 GLU HG2 . . 3.670 2.690 2.590 2.799 . 0 0 "[ . 1 . 2]" 2
538 1 62 GLU HA 1 62 GLU HG3 . . 3.630 2.863 2.786 2.950 . 0 0 "[ . 1 . 2]" 2
539 1 30 ARG HE 1 30 ARG HG3 . . 3.880 3.551 3.535 3.565 . 0 0 "[ . 1 . 2]" 2
540 1 30 ARG HG3 1 45 TRP HH2 . . 3.520 1.995 1.991 2.000 . 0 0 "[ . 1 . 2]" 2
541 1 30 ARG HG3 1 45 TRP HZ3 . . 3.900 2.820 2.688 2.890 . 0 0 "[ . 1 . 2]" 2
542 1 30 ARG HE 1 30 ARG HG2 . . 3.900 2.278 2.252 2.305 . 0 0 "[ . 1 . 2]" 2
543 1 30 ARG HG2 1 45 TRP HH2 . . 3.800 3.280 3.214 3.402 . 0 0 "[ . 1 . 2]" 2
544 1 62 GLU HA 1 63 GLU HA . . 4.490 4.313 4.293 4.359 . 0 0 "[ . 1 . 2]" 2
545 1 63 GLU HA 1 64 THR H . . 3.550 2.446 2.138 3.568 0.018 19 0 "[ . 1 . 2]" 2
546 1 63 GLU HA 1 63 GLU HG2 . . 4.100 2.939 2.192 3.847 . 0 0 "[ . 1 . 2]" 2
547 1 63 GLU HA 1 63 GLU HG3 . . 4.100 3.044 2.178 3.690 . 0 0 "[ . 1 . 2]" 2
548 1 54 GLN HA 1 54 GLN HG2 . . 3.030 2.486 2.460 2.518 . 0 0 "[ . 1 . 2]" 2
549 1 54 GLN HA 1 54 GLN HB3 . . 2.840 2.419 2.404 2.433 . 0 0 "[ . 1 . 2]" 2
550 1 45 TRP HE3 1 46 SER HA . . 3.690 2.762 2.733 2.789 . 0 0 "[ . 1 . 2]" 2
551 1 21 CYS HA 1 46 SER HA . . 3.130 2.407 2.363 2.475 . 0 0 "[ . 1 . 2]" 2
552 1 32 LEU HA 1 32 LEU MD1 . . 4.060 3.857 3.815 3.902 . 0 0 "[ . 1 . 2]" 2
553 1 19 VAL MG1 1 32 LEU MD1 . . 3.800 1.812 1.729 1.940 . 0 0 "[ . 1 . 2]" 2
554 1 19 VAL MG2 1 32 LEU MD1 . . 3.490 2.274 1.899 2.708 . 0 0 "[ . 1 . 2]" 2
555 1 55 TYR QE 1 63 GLU HA . . 3.860 3.375 2.985 3.715 . 0 0 "[ . 1 . 2]" 2
556 1 54 GLN HB2 1 55 TYR QE . . 3.540 2.740 2.583 2.922 . 0 0 "[ . 1 . 2]" 2
557 1 54 GLN HB3 1 55 TYR QE . . 3.600 2.870 2.812 2.953 . 0 0 "[ . 1 . 2]" 2
558 1 55 TYR QE 1 60 ILE MG . . 3.250 2.948 2.724 3.146 . 0 0 "[ . 1 . 2]" 2
559 1 18 TRP HA 1 19 VAL H . . 3.170 2.237 2.198 2.366 . 0 0 "[ . 1 . 2]" 2
560 1 18 TRP HA 1 18 TRP HE3 . . 4.150 3.624 3.113 3.918 . 0 0 "[ . 1 . 2]" 2
561 1 18 TRP HA 1 29 TRP HE3 . . 4.570 3.856 3.706 4.024 . 0 0 "[ . 1 . 2]" 2
562 1 18 TRP HA 1 31 ARG HA . . 3.840 2.995 2.706 3.372 . 0 0 "[ . 1 . 2]" 2
563 1 49 GLN HA 1 49 GLN HB3 . . 2.940 2.544 2.526 2.554 . 0 0 "[ . 1 . 2]" 2
564 1 49 GLN HA 1 49 GLN HG2 . . 2.920 2.550 2.537 2.561 . 0 0 "[ . 1 . 2]" 2
565 1 49 GLN HA 1 49 GLN HG3 . . 3.280 2.871 2.853 2.909 . 0 0 "[ . 1 . 2]" 2
566 1 68 LEU HA 1 69 GLU H . . 3.560 2.534 2.140 3.561 0.001 4 0 "[ . 1 . 2]" 2
567 1 68 LEU HA 1 68 LEU HG . . 4.190 3.200 2.448 3.700 . 0 0 "[ . 1 . 2]" 2
568 1 41 LEU HB3 1 41 LEU MD2 . . 3.470 2.250 2.104 2.337 . 0 0 "[ . 1 . 2]" 2
569 1 68 LEU HA 1 68 LEU MD2 . . 4.800 3.808 3.297 4.065 . 0 0 "[ . 1 . 2]" 2
570 1 32 LEU HA 1 32 LEU MD2 . . 4.060 2.167 1.962 2.436 . 0 0 "[ . 1 . 2]" 2
571 1 19 VAL MG2 1 32 LEU MD2 . . 3.490 2.865 2.417 3.232 . 0 0 "[ . 1 . 2]" 2
572 1 41 LEU HA 1 41 LEU MD2 . . 3.190 2.187 1.968 2.403 . 0 0 "[ . 1 . 2]" 2
573 1 20 GLN HA 1 29 TRP HA . . 3.180 2.310 2.247 2.421 . 0 0 "[ . 1 . 2]" 2
574 1 20 GLN HA 1 20 GLN HG2 . . 3.800 2.685 2.557 2.828 . 0 0 "[ . 1 . 2]" 2
575 1 64 THR H 1 64 THR MG . . 3.600 2.998 2.106 3.591 . 0 0 "[ . 1 . 2]" 2
576 1 64 THR HA 1 64 THR MG . . 3.030 2.180 2.044 2.327 . 0 0 "[ . 1 . 2]" 2
577 1 17 VAL MG1 1 18 TRP H . . 4.260 3.794 3.581 3.978 . 0 0 "[ . 1 . 2]" 2
578 1 17 VAL MG1 1 32 LEU HB2 . . 4.830 4.662 4.434 4.834 0.004 10 0 "[ . 1 . 2]" 2
579 1 50 ASN HB2 1 56 ASN HA . . 3.560 2.495 2.464 2.539 . 0 0 "[ . 1 . 2]" 2
580 1 50 ASN HB3 1 56 ASN HA . . 3.210 2.037 1.997 2.089 . 0 0 "[ . 1 . 2]" 2
581 1 56 ASN HA 1 56 ASN HB3 . . 3.010 2.608 2.604 2.613 . 0 0 "[ . 1 . 2]" 2
582 1 66 THR HA 1 66 THR MG . . 3.230 2.639 2.059 3.207 . 0 0 "[ . 1 . 2]" 2
583 1 40 VAL H 1 40 VAL MG1 . . 3.770 2.586 2.384 2.758 . 0 0 "[ . 1 . 2]" 2
584 1 40 VAL HA 1 40 VAL MG1 . . 3.030 2.283 2.179 2.395 . 0 0 "[ . 1 . 2]" 2
585 1 37 ASP HB3 1 40 VAL MG1 . . 3.910 3.284 2.806 3.653 . 0 0 "[ . 1 . 2]" 2
586 1 53 VAL H 1 53 VAL MG1 . . 2.770 2.066 2.028 2.092 . 0 0 "[ . 1 . 2]" 2
587 1 53 VAL MG1 1 56 ASN HD21 . . 3.910 3.907 3.895 3.916 0.006 6 0 "[ . 1 . 2]" 2
588 1 53 VAL MG1 1 56 ASN HD22 . . 4.280 4.073 4.036 4.105 . 0 0 "[ . 1 . 2]" 2
589 1 53 VAL HA 1 53 VAL MG1 . . 2.710 2.408 2.396 2.423 . 0 0 "[ . 1 . 2]" 2
590 1 60 ILE HA 1 61 PRO HD2 . . 2.590 2.067 2.033 2.102 . 0 0 "[ . 1 . 2]" 2
591 1 60 ILE MG 1 61 PRO HD2 . . 3.090 1.900 1.883 1.916 . 0 0 "[ . 1 . 2]" 2
592 1 60 ILE HA 1 61 PRO HD3 . . 2.700 2.271 2.259 2.283 . 0 0 "[ . 1 . 2]" 2
593 1 60 ILE MG 1 61 PRO HD3 . . 3.430 3.315 3.300 3.326 . 0 0 "[ . 1 . 2]" 2
594 1 45 TRP HZ2 1 50 ASN HB2 . . 3.550 3.075 2.989 3.164 . 0 0 "[ . 1 . 2]" 2
595 1 32 LEU MD2 1 45 TRP HZ2 . . 4.450 2.805 2.315 3.206 . 0 0 "[ . 1 . 2]" 2
596 1 23 PHE QD 1 24 PRO HD3 . . 3.880 3.533 3.464 3.567 . 0 0 "[ . 1 . 2]" 2
597 1 23 PHE HA 1 24 PRO HD3 . . 2.610 2.258 2.256 2.260 . 0 0 "[ . 1 . 2]" 2
598 1 23 PHE QD 1 24 PRO HD2 . . 3.790 2.755 2.693 2.789 . 0 0 "[ . 1 . 2]" 2
599 1 23 PHE HA 1 24 PRO HD2 . . 2.730 2.259 2.246 2.269 . 0 0 "[ . 1 . 2]" 2
600 1 23 PHE HB3 1 24 PRO HD2 . . 3.580 2.330 2.300 2.367 . 0 0 "[ . 1 . 2]" 2
601 1 37 ASP HA 1 38 PRO HD2 . . 3.310 2.349 2.315 2.362 . 0 0 "[ . 1 . 2]" 2
602 1 37 ASP HA 1 38 PRO HD3 . . 3.310 2.280 2.270 2.284 . 0 0 "[ . 1 . 2]" 2
603 1 41 LEU HA 1 42 PRO HD3 . . 2.930 2.301 2.294 2.304 . 0 0 "[ . 1 . 2]" 2
604 1 41 LEU MD2 1 42 PRO HD3 . . 3.820 2.737 2.575 2.939 . 0 0 "[ . 1 . 2]" 2
605 1 41 LEU HA 1 42 PRO HD2 . . 3.060 2.402 2.384 2.408 . 0 0 "[ . 1 . 2]" 2
606 1 41 LEU MD2 1 42 PRO HD2 . . 3.720 1.955 1.869 2.051 . 0 0 "[ . 1 . 2]" 2
607 1 41 LEU HB3 1 42 PRO HD2 . . 3.650 2.145 2.076 2.212 . 0 0 "[ . 1 . 2]" 2
608 1 36 ILE MG 1 40 VAL MG2 . . 3.830 2.942 2.610 3.290 . 0 0 "[ . 1 . 2]" 2
609 1 40 VAL H 1 40 VAL MG2 . . 3.440 2.024 1.935 2.166 . 0 0 "[ . 1 . 2]" 2
610 1 40 VAL HA 1 40 VAL MG2 . . 3.590 3.198 3.182 3.203 . 0 0 "[ . 1 . 2]" 2
611 1 37 ASP HB3 1 40 VAL MG2 . . 3.520 2.492 2.139 2.634 . 0 0 "[ . 1 . 2]" 2
612 1 19 VAL H 1 19 VAL MG2 . . 3.720 2.043 1.954 2.236 . 0 0 "[ . 1 . 2]" 2
613 1 19 VAL MG2 1 32 LEU HG . . 4.060 2.310 2.047 2.564 . 0 0 "[ . 1 . 2]" 2
614 1 19 VAL MG2 1 41 LEU MD2 . . 4.150 4.051 3.935 4.151 0.001 18 0 "[ . 1 . 2]" 2
615 1 53 VAL MG2 1 54 GLN H . . 3.480 2.291 2.129 2.373 . 0 0 "[ . 1 . 2]" 2
616 1 53 VAL H 1 53 VAL MG2 . . 2.740 2.166 2.128 2.230 . 0 0 "[ . 1 . 2]" 2
617 1 53 VAL MG2 1 54 GLN HA . . 3.860 3.235 3.151 3.344 . 0 0 "[ . 1 . 2]" 2
618 1 53 VAL HA 1 53 VAL MG2 . . 3.210 3.199 3.192 3.203 . 0 0 "[ . 1 . 2]" 2
619 1 53 VAL MG2 1 54 GLN HG2 . . 3.660 2.631 2.568 2.708 . 0 0 "[ . 1 . 2]" 2
620 1 9 ILE HA 1 9 ILE MG . . 3.220 2.307 2.213 2.427 . 0 0 "[ . 1 . 2]" 2
621 1 9 ILE HG12 1 9 ILE MG . . 3.490 2.390 1.953 3.202 . 0 0 "[ . 1 . 2]" 2
622 1 60 ILE H 1 60 ILE MG . . 3.870 3.764 3.762 3.766 . 0 0 "[ . 1 . 2]" 2
623 1 60 ILE HA 1 60 ILE MG . . 2.840 2.381 2.352 2.409 . 0 0 "[ . 1 . 2]" 2
624 1 60 ILE HG12 1 60 ILE MG . . 2.980 2.204 2.149 2.260 . 0 0 "[ . 1 . 2]" 2
625 1 9 ILE HA 1 9 ILE HG12 . . 4.240 3.640 2.593 4.206 . 0 0 "[ . 1 . 2]" 2
626 1 9 ILE HA 1 9 ILE MD . . 3.980 3.407 2.057 3.997 0.017 5 0 "[ . 1 . 2]" 2
627 1 9 ILE H 1 9 ILE MD . . 4.650 3.665 3.054 4.301 . 0 0 "[ . 1 . 2]" 2
628 1 18 TRP HA 1 32 LEU HB2 . . 5.140 4.338 3.674 4.887 . 0 0 "[ . 1 . 2]" 2
629 1 18 TRP HA 1 32 LEU HG . . 5.500 4.310 3.867 4.857 . 0 0 "[ . 1 . 2]" 2
630 1 18 TRP HA 1 18 TRP HD1 . . 5.090 3.878 3.639 4.173 . 0 0 "[ . 1 . 2]" 2
631 1 18 TRP HA 1 32 LEU H . . 4.320 3.546 2.998 4.140 . 0 0 "[ . 1 . 2]" 2
632 1 18 TRP H 1 18 TRP HB3 . . 4.110 3.787 3.707 3.828 . 0 0 "[ . 1 . 2]" 2
633 1 18 TRP HB3 1 19 VAL H . . 4.460 2.905 2.531 3.040 . 0 0 "[ . 1 . 2]" 2
634 1 19 VAL H 1 19 VAL HB . . 4.050 3.755 3.711 3.828 . 0 0 "[ . 1 . 2]" 2
635 1 19 VAL HB 1 41 LEU MD2 . . 4.930 4.672 4.465 4.886 . 0 0 "[ . 1 . 2]" 2
636 1 19 VAL MG2 1 30 ARG HB2 . . 4.250 2.159 2.030 2.286 . 0 0 "[ . 1 . 2]" 2
637 1 19 VAL MG2 1 30 ARG HD3 . . 5.500 5.134 5.014 5.227 . 0 0 "[ . 1 . 2]" 2
638 1 19 VAL MG2 1 45 TRP HZ2 . . 4.480 2.780 2.724 2.879 . 0 0 "[ . 1 . 2]" 2
639 1 19 VAL MG2 1 45 TRP HZ3 . . 4.650 2.969 2.887 3.061 . 0 0 "[ . 1 . 2]" 2
640 1 19 VAL MG2 1 45 TRP HE3 . . 4.320 3.862 3.694 3.988 . 0 0 "[ . 1 . 2]" 2
641 1 19 VAL MG2 1 20 GLN H . . 4.190 4.074 3.952 4.166 . 0 0 "[ . 1 . 2]" 2
642 1 19 VAL MG1 1 32 LEU HB2 . . 4.330 4.004 3.418 4.280 . 0 0 "[ . 1 . 2]" 2
643 1 18 TRP HA 1 19 VAL MG1 . . 4.770 3.809 3.710 3.903 . 0 0 "[ . 1 . 2]" 2
644 1 19 VAL MG1 1 45 TRP HZ3 . . 5.250 5.171 5.070 5.250 . 0 0 "[ . 1 . 2]" 2
645 1 19 VAL MG1 1 45 TRP HZ2 . . 4.830 4.552 4.396 4.697 . 0 0 "[ . 1 . 2]" 2
646 1 19 VAL H 1 19 VAL MG1 . . 4.060 3.108 3.015 3.247 . 0 0 "[ . 1 . 2]" 2
647 1 20 GLN HA 1 21 CYS HB3 . . 5.170 4.873 4.818 4.898 . 0 0 "[ . 1 . 2]" 2
648 1 20 GLN HA 1 29 TRP HB3 . . 5.500 4.590 4.506 4.731 . 0 0 "[ . 1 . 2]" 2
649 1 20 GLN HA 1 21 CYS HB2 . . 4.490 4.396 4.386 4.419 . 0 0 "[ . 1 . 2]" 2
650 1 20 GLN HA 1 29 TRP HE3 . . 4.420 3.786 3.668 3.847 . 0 0 "[ . 1 . 2]" 2
651 1 20 GLN HA 1 29 TRP H . . 4.920 4.495 4.448 4.587 . 0 0 "[ . 1 . 2]" 2
652 1 20 GLN HB3 1 29 TRP HZ3 . . 4.990 4.574 4.479 4.708 . 0 0 "[ . 1 . 2]" 2
653 1 20 GLN HG3 1 27 GLY HA3 . . 4.580 4.515 4.334 4.584 0.004 14 0 "[ . 1 . 2]" 2
654 1 20 GLN H 1 20 GLN HG3 . . 4.930 4.490 4.429 4.557 . 0 0 "[ . 1 . 2]" 2
655 1 21 CYS HB2 1 28 LYS HB2 . . 4.210 3.548 3.489 3.608 . 0 0 "[ . 1 . 2]" 2
656 1 21 CYS HB2 1 30 ARG HG2 . . 4.960 4.085 4.003 4.129 . 0 0 "[ . 1 . 2]" 2
657 1 21 CYS HB2 1 26 CYS HB3 . . 4.280 2.713 2.674 2.766 . 0 0 "[ . 1 . 2]" 2
658 1 21 CYS HB2 1 45 TRP HH2 . . 5.500 5.509 5.504 5.517 0.017 7 0 "[ . 1 . 2]" 2
659 1 21 CYS HB2 1 45 TRP HE3 . . 4.770 4.668 4.605 4.717 . 0 0 "[ . 1 . 2]" 2
660 1 21 CYS HB3 1 28 LYS HB2 . . 4.460 4.447 4.406 4.462 0.002 13 0 "[ . 1 . 2]" 2
661 1 21 CYS HB3 1 28 LYS HG3 . . 5.090 4.966 4.903 5.001 . 0 0 "[ . 1 . 2]" 2
662 1 21 CYS HB3 1 26 CYS HB2 . . 4.480 2.971 2.942 2.998 . 0 0 "[ . 1 . 2]" 2
663 1 21 CYS HB3 1 46 SER HA . . 4.860 4.511 4.483 4.542 . 0 0 "[ . 1 . 2]" 2
664 1 21 CYS HB3 1 45 TRP HE3 . . 5.400 5.395 5.376 5.408 0.008 8 0 "[ . 1 . 2]" 2
665 1 21 CYS HB3 1 47 CYS H . . 5.110 4.806 4.748 4.880 . 0 0 "[ . 1 . 2]" 2
666 1 21 CYS HB3 1 27 GLY HA3 . . 4.670 4.635 4.588 4.670 0.000 1 0 "[ . 1 . 2]" 2
667 1 23 PHE HB2 1 24 PRO HD2 . . 4.040 3.838 3.814 3.872 . 0 0 "[ . 1 . 2]" 2
668 1 23 PHE HB3 1 24 PRO HD3 . . 3.980 3.733 3.708 3.763 . 0 0 "[ . 1 . 2]" 2
669 1 23 PHE HB3 1 26 CYS H . . 4.000 3.167 3.119 3.191 . 0 0 "[ . 1 . 2]" 2
670 1 23 PHE HA 1 24 PRO HA . . 4.440 4.400 4.398 4.402 . 0 0 "[ . 1 . 2]" 2
671 1 24 PRO HA 1 27 GLY H . . 4.990 4.125 4.114 4.136 . 0 0 "[ . 1 . 2]" 2
672 1 24 PRO HA 1 26 CYS H . . 3.970 3.940 3.932 3.950 . 0 0 "[ . 1 . 2]" 2
673 1 23 PHE H 1 24 PRO HD2 . . 4.990 4.813 4.807 4.816 . 0 0 "[ . 1 . 2]" 2
674 1 23 PHE H 1 24 PRO HD3 . . 5.190 4.975 4.960 4.984 . 0 0 "[ . 1 . 2]" 2
675 1 26 CYS HB3 1 27 GLY HA2 . . 4.220 3.956 3.949 3.961 . 0 0 "[ . 1 . 2]" 2
676 1 26 CYS HB3 1 27 GLY HA3 . . 4.630 4.478 4.475 4.480 . 0 0 "[ . 1 . 2]" 2
677 1 21 CYS H 1 26 CYS HB3 . . 4.640 4.236 4.216 4.256 . 0 0 "[ . 1 . 2]" 2
678 1 23 PHE H 1 26 CYS HB3 . . 5.060 4.345 4.292 4.433 . 0 0 "[ . 1 . 2]" 2
679 1 26 CYS HB2 1 27 GLY HA2 . . 4.920 4.838 4.827 4.845 . 0 0 "[ . 1 . 2]" 2
680 1 26 CYS HB2 1 27 GLY HA3 . . 5.310 5.196 5.186 5.203 . 0 0 "[ . 1 . 2]" 2
681 1 23 PHE HA 1 26 CYS HB2 . . 4.890 4.654 4.641 4.670 . 0 0 "[ . 1 . 2]" 2
682 1 20 GLN HG3 1 27 GLY HA2 . . 4.110 3.523 3.294 3.622 . 0 0 "[ . 1 . 2]" 2
683 1 21 CYS HB3 1 27 GLY HA2 . . 4.440 3.375 3.321 3.415 . 0 0 "[ . 1 . 2]" 2
684 1 26 CYS H 1 27 GLY HA2 . . 5.190 4.974 4.969 4.982 . 0 0 "[ . 1 . 2]" 2
685 1 21 CYS H 1 27 GLY HA2 . . 4.460 3.830 3.785 3.867 . 0 0 "[ . 1 . 2]" 2
686 1 20 GLN HG2 1 27 GLY HA3 . . 4.000 3.963 3.884 4.006 0.006 12 0 "[ . 1 . 2]" 2
687 1 26 CYS H 1 27 GLY HA3 . . 4.700 4.713 4.706 4.722 0.022 8 0 "[ . 1 . 2]" 2
688 1 21 CYS H 1 27 GLY HA3 . . 5.360 5.339 5.298 5.368 0.008 1 0 "[ . 1 . 2]" 2
689 1 28 LYS HA 1 28 LYS HD3 . . 4.550 4.310 4.299 4.326 . 0 0 "[ . 1 . 2]" 2
690 1 28 LYS HA 1 62 GLU HG3 . . 4.220 3.719 3.531 3.874 . 0 0 "[ . 1 . 2]" 2
691 1 28 LYS HA 1 29 TRP HD1 . . 4.190 3.930 3.766 4.107 . 0 0 "[ . 1 . 2]" 2
692 1 28 LYS HA 1 28 LYS HG2 . . 3.300 2.533 2.511 2.545 . 0 0 "[ . 1 . 2]" 2
693 1 28 LYS HA 1 29 TRP HB2 . . 4.540 4.455 4.417 4.505 . 0 0 "[ . 1 . 2]" 2
694 1 28 LYS HD3 1 62 GLU HG3 . . 4.160 2.013 1.993 2.125 . 0 0 "[ . 1 . 2]" 2
695 1 28 LYS HD3 1 30 ARG HH22 . . 4.870 2.226 2.137 2.317 . 0 0 "[ . 1 . 2]" 2
696 1 28 LYS HD2 1 30 ARG HH11 . . 5.160 4.669 4.533 4.795 . 0 0 "[ . 1 . 2]" 2
697 1 28 LYS HD3 1 30 ARG HH11 . . 5.500 4.864 4.786 5.013 . 0 0 "[ . 1 . 2]" 2
698 1 28 LYS HD2 1 30 ARG HH12 . . 4.690 3.951 3.775 4.138 . 0 0 "[ . 1 . 2]" 2
699 1 28 LYS HD3 1 30 ARG HH12 . . 4.980 3.820 3.745 3.973 . 0 0 "[ . 1 . 2]" 2
700 1 28 LYS HE2 1 62 GLU HA . . 5.480 5.465 5.430 5.485 0.005 16 0 "[ . 1 . 2]" 2
701 1 28 LYS HE3 1 62 GLU HB2 . . 4.610 4.562 4.466 4.615 0.005 19 0 "[ . 1 . 2]" 2
702 1 28 LYS HG2 1 29 TRP H . . 4.310 4.188 4.139 4.234 . 0 0 "[ . 1 . 2]" 2
703 1 18 TRP HZ3 1 29 TRP HB2 . . 4.690 4.168 3.881 4.549 . 0 0 "[ . 1 . 2]" 2
704 1 18 TRP HZ3 1 29 TRP HB3 . . 4.970 4.150 3.813 4.497 . 0 0 "[ . 1 . 2]" 2
705 1 19 VAL MG1 1 30 ARG HB2 . . 5.020 4.855 4.759 4.937 . 0 0 "[ . 1 . 2]" 2
706 1 30 ARG HB2 1 45 TRP HZ3 . . 4.580 3.390 3.304 3.473 . 0 0 "[ . 1 . 2]" 2
707 1 30 ARG HB3 1 45 TRP HZ3 . . 4.770 4.728 4.626 4.765 . 0 0 "[ . 1 . 2]" 2
708 1 30 ARG HB3 1 30 ARG HE . . 4.920 3.708 3.661 3.737 . 0 0 "[ . 1 . 2]" 2
709 1 28 LYS HB2 1 30 ARG HD2 . . 4.510 4.475 4.392 4.513 0.003 16 0 "[ . 1 . 2]" 2
710 1 30 ARG HB3 1 30 ARG HD2 . . 4.040 3.377 3.342 3.407 . 0 0 "[ . 1 . 2]" 2
711 1 30 ARG HD2 1 30 ARG HH22 . . 4.720 4.593 4.591 4.595 . 0 0 "[ . 1 . 2]" 2
712 1 30 ARG HD2 1 30 ARG HH12 . . 4.470 3.491 3.487 3.494 . 0 0 "[ . 1 . 2]" 2
713 1 28 LYS HB2 1 30 ARG HD3 . . 5.500 5.462 5.416 5.494 . 0 0 "[ . 1 . 2]" 2
714 1 28 LYS HB3 1 30 ARG HD3 . . 5.500 5.496 5.481 5.505 0.005 4 0 "[ . 1 . 2]" 2
715 1 30 ARG HD3 1 55 TYR HB2 . . 4.140 2.810 2.667 3.027 . 0 0 "[ . 1 . 2]" 2
716 1 30 ARG HD3 1 30 ARG HH22 . . 4.900 4.839 4.837 4.841 . 0 0 "[ . 1 . 2]" 2
717 1 30 ARG HD3 1 55 TYR QD . . 4.180 3.942 3.898 3.974 . 0 0 "[ . 1 . 2]" 2
718 1 30 ARG HD3 1 50 ASN HD21 . . 4.650 3.719 3.629 3.818 . 0 0 "[ . 1 . 2]" 2
719 1 30 ARG HD3 1 50 ASN HD22 . . 4.580 3.640 3.591 3.749 . 0 0 "[ . 1 . 2]" 2
720 1 29 TRP HA 1 30 ARG HG2 . . 4.820 3.928 3.881 3.960 . 0 0 "[ . 1 . 2]" 2
721 1 28 LYS HB2 1 30 ARG HG2 . . 4.970 3.747 3.673 3.815 . 0 0 "[ . 1 . 2]" 2
722 1 28 LYS HB3 1 30 ARG HG2 . . 5.500 4.205 4.109 4.306 . 0 0 "[ . 1 . 2]" 2
723 1 30 ARG HG2 1 45 TRP HZ3 . . 4.130 3.258 3.159 3.356 . 0 0 "[ . 1 . 2]" 2
724 1 30 ARG H 1 30 ARG HG2 . . 4.290 2.247 2.187 2.286 . 0 0 "[ . 1 . 2]" 2
725 1 31 ARG HA 1 32 LEU HB2 . . 4.930 4.367 4.145 4.582 . 0 0 "[ . 1 . 2]" 2
726 1 31 ARG HA 1 32 LEU HG . . 5.430 4.122 3.826 4.477 . 0 0 "[ . 1 . 2]" 2
727 1 18 TRP HE3 1 31 ARG HA . . 5.060 3.655 2.997 4.067 . 0 0 "[ . 1 . 2]" 2
728 1 19 VAL MG2 1 32 LEU HB3 . . 5.500 4.698 4.340 4.871 . 0 0 "[ . 1 . 2]" 2
729 1 19 VAL MG2 1 32 LEU HB2 . . 5.500 4.019 3.460 4.394 . 0 0 "[ . 1 . 2]" 2
730 1 19 VAL MG1 1 32 LEU HG . . 4.300 3.279 2.796 3.798 . 0 0 "[ . 1 . 2]" 2
731 1 32 LEU HG 1 51 THR H . . 5.500 4.625 4.068 5.042 . 0 0 "[ . 1 . 2]" 2
732 1 32 LEU H 1 32 LEU HG . . 4.670 3.175 2.366 3.742 . 0 0 "[ . 1 . 2]" 2
733 1 33 CYS HB2 1 36 ILE MD . . 4.700 3.034 1.986 4.672 . 0 0 "[ . 1 . 2]" 2
734 1 36 ILE HA 1 36 ILE HG13 . . 4.230 2.795 2.335 3.792 . 0 0 "[ . 1 . 2]" 2
735 1 36 ILE HA 1 36 ILE HG12 . . 4.230 2.955 2.562 3.538 . 0 0 "[ . 1 . 2]" 2
736 1 36 ILE HA 1 37 ASP HB2 . . 4.530 4.049 3.981 4.122 . 0 0 "[ . 1 . 2]" 2
737 1 36 ILE HA 1 37 ASP HB3 . . 5.400 5.312 5.212 5.408 0.008 16 0 "[ . 1 . 2]" 2
738 1 33 CYS HB3 1 36 ILE MD . . 4.700 3.168 2.008 4.698 . 0 0 "[ . 1 . 2]" 2
739 1 36 ILE H 1 36 ILE MD . . 4.950 3.370 2.009 4.165 . 0 0 "[ . 1 . 2]" 2
740 1 36 ILE MG 1 37 ASP H . . 4.150 2.101 1.917 2.285 . 0 0 "[ . 1 . 2]" 2
741 1 38 PRO HA 1 41 LEU MD1 . . 4.070 2.031 1.920 2.228 . 0 0 "[ . 1 . 2]" 2
742 1 38 PRO HA 1 41 LEU MD2 . . 4.350 4.301 4.056 4.377 0.027 9 0 "[ . 1 . 2]" 2
743 1 40 VAL MG2 1 41 LEU HG . . 4.200 2.795 2.484 3.457 . 0 0 "[ . 1 . 2]" 2
744 1 37 ASP HB2 1 40 VAL MG2 . . 3.940 2.615 2.197 2.863 . 0 0 "[ . 1 . 2]" 2
745 1 36 ILE HA 1 40 VAL MG2 . . 4.440 3.586 3.235 3.820 . 0 0 "[ . 1 . 2]" 2
746 1 38 PRO HA 1 40 VAL MG2 . . 5.080 4.406 4.279 4.639 . 0 0 "[ . 1 . 2]" 2
747 1 37 ASP H 1 40 VAL MG2 . . 4.400 2.340 1.999 2.593 . 0 0 "[ . 1 . 2]" 2
748 1 39 SER H 1 40 VAL MG2 . . 4.710 3.785 3.438 3.982 . 0 0 "[ . 1 . 2]" 2
749 1 37 ASP HB2 1 40 VAL MG1 . . 4.390 3.504 3.044 3.973 . 0 0 "[ . 1 . 2]" 2
750 1 37 ASP HB3 1 40 VAL HB . . 5.450 5.317 4.942 5.444 . 0 0 "[ . 1 . 2]" 2
751 1 41 LEU HA 1 42 PRO HG3 . . 4.710 4.473 4.462 4.478 . 0 0 "[ . 1 . 2]" 2
752 1 41 LEU HB2 1 42 PRO HD3 . . 4.840 4.757 4.731 4.780 . 0 0 "[ . 1 . 2]" 2
753 1 38 PRO HA 1 41 LEU HB2 . . 4.840 2.475 1.993 3.838 . 0 0 "[ . 1 . 2]" 2
754 1 41 LEU H 1 41 LEU HG . . 3.920 3.111 2.687 3.520 . 0 0 "[ . 1 . 2]" 2
755 1 42 PRO HB3 1 43 ASP H . . 4.620 3.489 3.207 3.791 . 0 0 "[ . 1 . 2]" 2
756 1 42 PRO HB2 1 45 TRP HD1 . . 4.990 4.916 4.809 4.999 0.009 20 0 "[ . 1 . 2]" 2
757 1 42 PRO HB2 1 45 TRP H . . 4.850 3.715 3.463 4.245 . 0 0 "[ . 1 . 2]" 2
758 1 41 LEU HB2 1 42 PRO HD2 . . 4.200 3.717 3.676 3.754 . 0 0 "[ . 1 . 2]" 2
759 1 41 LEU HG 1 42 PRO HD2 . . 4.600 3.960 3.800 4.181 . 0 0 "[ . 1 . 2]" 2
760 1 41 LEU MD1 1 42 PRO HD2 . . 4.510 3.887 3.638 4.015 . 0 0 "[ . 1 . 2]" 2
761 1 41 LEU HB3 1 42 PRO HD3 . . 4.010 3.567 3.512 3.620 . 0 0 "[ . 1 . 2]" 2
762 1 41 LEU HG 1 42 PRO HD3 . . 5.420 4.661 4.488 4.927 . 0 0 "[ . 1 . 2]" 2
763 1 42 PRO HD3 1 45 TRP HB2 . . 4.760 4.456 4.342 4.561 . 0 0 "[ . 1 . 2]" 2
764 1 45 TRP HA 1 49 GLN HB2 . . 4.600 3.613 3.564 3.672 . 0 0 "[ . 1 . 2]" 2
765 1 19 VAL MG2 1 45 TRP HB3 . . 5.050 4.921 4.698 5.054 0.004 16 0 "[ . 1 . 2]" 2
766 1 41 LEU MD2 1 45 TRP HB2 . . 4.740 3.623 3.305 3.932 . 0 0 "[ . 1 . 2]" 2
767 1 41 LEU MD1 1 45 TRP HB2 . . 5.110 4.558 4.104 4.755 . 0 0 "[ . 1 . 2]" 2
768 1 41 LEU MD1 1 45 TRP HB3 . . 5.500 4.764 4.284 5.017 . 0 0 "[ . 1 . 2]" 2
769 1 41 LEU HB3 1 45 TRP HB2 . . 4.670 3.485 3.329 3.637 . 0 0 "[ . 1 . 2]" 2
770 1 41 LEU HB2 1 45 TRP HB2 . . 5.430 5.120 4.889 5.306 . 0 0 "[ . 1 . 2]" 2
771 1 41 LEU HA 1 45 TRP HB2 . . 5.460 5.243 5.142 5.368 . 0 0 "[ . 1 . 2]" 2
772 1 21 CYS HA 1 45 TRP HB3 . . 4.710 4.633 4.569 4.688 . 0 0 "[ . 1 . 2]" 2
773 1 44 ASN HA 1 45 TRP HB3 . . 5.250 5.142 5.007 5.220 . 0 0 "[ . 1 . 2]" 2
774 1 45 TRP HB2 1 46 SER H . . 4.360 4.077 4.051 4.095 . 0 0 "[ . 1 . 2]" 2
775 1 45 TRP HZ3 1 46 SER HA . . 4.560 3.509 3.468 3.565 . 0 0 "[ . 1 . 2]" 2
776 1 23 PHE QD 1 46 SER HA . . 4.470 4.439 4.398 4.468 . 0 0 "[ . 1 . 2]" 2
777 1 23 PHE H 1 46 SER HA . . 4.150 4.148 4.120 4.155 0.005 1 0 "[ . 1 . 2]" 2
778 1 22 SER H 1 46 SER HB2 . . 4.460 4.210 4.170 4.274 . 0 0 "[ . 1 . 2]" 2
779 1 23 PHE H 1 46 SER HB2 . . 4.900 4.860 4.830 4.891 . 0 0 "[ . 1 . 2]" 2
780 1 21 CYS HA 1 46 SER HB3 . . 4.600 4.456 4.419 4.517 . 0 0 "[ . 1 . 2]" 2
781 1 46 SER HB3 1 48 ASP H . . 4.430 4.245 4.221 4.264 . 0 0 "[ . 1 . 2]" 2
782 1 30 ARG HG2 1 47 CYS HA . . 4.610 3.760 3.654 3.920 . 0 0 "[ . 1 . 2]" 2
783 1 30 ARG HG3 1 47 CYS HA . . 4.060 2.188 2.106 2.327 . 0 0 "[ . 1 . 2]" 2
784 1 47 CYS HA 1 56 ASN HA . . 4.550 4.025 4.001 4.054 . 0 0 "[ . 1 . 2]" 2
785 1 46 SER HA 1 47 CYS HA . . 4.390 4.302 4.299 4.303 . 0 0 "[ . 1 . 2]" 2
786 1 47 CYS HB2 1 57 ARG H . . 4.110 4.030 3.973 4.091 . 0 0 "[ . 1 . 2]" 2
787 1 47 CYS HB2 1 56 ASN HA . . 4.750 4.716 4.686 4.754 0.004 20 0 "[ . 1 . 2]" 2
788 1 46 SER HA 1 47 CYS HB2 . . 5.170 5.170 5.153 5.176 0.006 6 0 "[ . 1 . 2]" 2
789 1 47 CYS HB2 1 57 ARG HA . . 3.670 3.261 3.210 3.316 . 0 0 "[ . 1 . 2]" 2
790 1 47 CYS HB3 1 57 ARG HA . . 3.940 3.685 3.636 3.747 . 0 0 "[ . 1 . 2]" 2
791 1 47 CYS HB3 1 48 ASP HA . . 4.820 4.646 4.629 4.658 . 0 0 "[ . 1 . 2]" 2
792 1 47 CYS HB3 1 56 ASN HA . . 4.080 3.563 3.528 3.598 . 0 0 "[ . 1 . 2]" 2
793 1 48 ASP HB3 1 49 GLN HA . . 4.900 4.605 4.547 4.662 . 0 0 "[ . 1 . 2]" 2
794 1 46 SER H 1 49 GLN HA . . 5.190 5.061 5.033 5.115 . 0 0 "[ . 1 . 2]" 2
795 1 49 GLN HA 1 49 GLN HE21 . . 4.990 4.956 4.937 4.989 . 0 0 "[ . 1 . 2]" 2
796 1 49 GLN HB2 1 50 ASN H . . 4.130 4.081 4.043 4.118 . 0 0 "[ . 1 . 2]" 2
797 1 45 TRP HZ2 1 50 ASN HB3 . . 4.510 4.302 4.253 4.374 . 0 0 "[ . 1 . 2]" 2
798 1 47 CYS HB3 1 50 ASN HB2 . . 4.160 4.049 4.029 4.069 . 0 0 "[ . 1 . 2]" 2
799 1 49 GLN H 1 50 ASN HB2 . . 4.700 4.082 4.074 4.095 . 0 0 "[ . 1 . 2]" 2
800 1 36 ILE MD 1 51 THR MG . . 4.050 2.320 1.868 3.282 . 0 0 "[ . 1 . 2]" 2
801 1 51 THR MG 1 52 ASP H . . 4.330 3.965 3.832 4.045 . 0 0 "[ . 1 . 2]" 2
802 1 52 ASP HB3 1 55 TYR HB2 . . 4.760 3.010 2.978 3.028 . 0 0 "[ . 1 . 2]" 2
803 1 52 ASP HB3 1 53 VAL H . . 4.560 4.280 4.236 4.323 . 0 0 "[ . 1 . 2]" 2
804 1 52 ASP HB2 1 55 TYR HB2 . . 4.760 4.595 4.537 4.629 . 0 0 "[ . 1 . 2]" 2
805 1 52 ASP HB2 1 53 VAL H . . 4.560 4.490 4.465 4.515 . 0 0 "[ . 1 . 2]" 2
806 1 50 ASN HD22 1 52 ASP HB2 . . 4.310 3.238 3.169 3.298 . 0 0 "[ . 1 . 2]" 2
807 1 52 ASP HB2 1 55 TYR H . . 4.720 4.551 4.520 4.585 . 0 0 "[ . 1 . 2]" 2
808 1 52 ASP HA 1 53 VAL HA . . 4.480 4.421 4.416 4.428 . 0 0 "[ . 1 . 2]" 2
809 1 53 VAL HB 1 56 ASN HD22 . . 4.040 3.561 3.539 3.588 . 0 0 "[ . 1 . 2]" 2
810 1 53 VAL HB 1 54 GLN H . . 4.600 3.988 3.977 4.004 . 0 0 "[ . 1 . 2]" 2
811 1 53 VAL HB 1 56 ASN HB3 . . 4.820 4.686 4.672 4.707 . 0 0 "[ . 1 . 2]" 2
812 1 53 VAL HB 1 54 GLN HG2 . . 4.980 4.979 4.966 4.987 0.007 1 0 "[ . 1 . 2]" 2
813 1 53 VAL MG1 1 56 ASN HB3 . . 4.190 3.966 3.955 3.979 . 0 0 "[ . 1 . 2]" 2
814 1 53 VAL MG1 1 56 ASN HB2 . . 4.890 4.827 4.818 4.834 . 0 0 "[ . 1 . 2]" 2
815 1 52 ASP HA 1 53 VAL MG1 . . 3.880 3.751 3.733 3.772 . 0 0 "[ . 1 . 2]" 2
816 1 53 VAL MG1 1 55 TYR H . . 5.190 5.139 5.123 5.153 . 0 0 "[ . 1 . 2]" 2
817 1 53 VAL MG1 1 56 ASN H . . 5.500 5.429 5.416 5.438 . 0 0 "[ . 1 . 2]" 2
818 1 53 VAL MG1 1 54 GLN H . . 3.960 3.969 3.965 3.973 0.013 11 0 "[ . 1 . 2]" 2
819 1 52 ASP HA 1 53 VAL MG2 . . 3.890 3.716 3.689 3.745 . 0 0 "[ . 1 . 2]" 2
820 1 53 VAL MG2 1 56 ASN HD22 . . 5.110 4.826 4.799 4.848 . 0 0 "[ . 1 . 2]" 2
821 1 53 VAL MG2 1 55 TYR H . . 4.430 4.292 4.250 4.311 . 0 0 "[ . 1 . 2]" 2
822 1 53 VAL MG2 1 56 ASN HD21 . . 4.380 4.220 4.204 4.233 . 0 0 "[ . 1 . 2]" 2
823 1 53 VAL MG2 1 54 GLN HE21 . . 4.440 3.900 3.796 4.138 . 0 0 "[ . 1 . 2]" 2
824 1 54 GLN HA 1 55 TYR QE . . 5.140 4.968 4.931 5.025 . 0 0 "[ . 1 . 2]" 2
825 1 54 GLN HA 1 56 ASN H . . 4.600 4.590 4.572 4.610 0.010 7 0 "[ . 1 . 2]" 2
826 1 53 VAL H 1 54 GLN HA . . 5.420 5.280 5.274 5.282 . 0 0 "[ . 1 . 2]" 2
827 1 54 GLN HB3 1 55 TYR H . . 4.140 4.071 4.051 4.100 . 0 0 "[ . 1 . 2]" 2
828 1 54 GLN HG3 1 55 TYR QE . . 5.220 4.449 4.243 4.667 . 0 0 "[ . 1 . 2]" 2
829 1 53 VAL H 1 54 GLN HG3 . . 4.820 4.293 4.221 4.344 . 0 0 "[ . 1 . 2]" 2
830 1 54 GLN HG2 1 55 TYR QD . . 5.010 4.960 4.934 4.980 . 0 0 "[ . 1 . 2]" 2
831 1 55 TYR HB3 1 60 ILE MG . . 4.410 3.360 3.300 3.425 . 0 0 "[ . 1 . 2]" 2
832 1 55 TYR HB3 1 60 ILE HB . . 5.030 3.992 3.951 4.068 . 0 0 "[ . 1 . 2]" 2
833 1 30 ARG HD2 1 55 TYR HB3 . . 4.400 3.106 3.016 3.252 . 0 0 "[ . 1 . 2]" 2
834 1 30 ARG HH22 1 55 TYR HB3 . . 4.970 4.246 4.122 4.382 . 0 0 "[ . 1 . 2]" 2
835 1 55 TYR HB3 1 57 ARG H . . 5.370 4.429 4.402 4.458 . 0 0 "[ . 1 . 2]" 2
836 1 55 TYR H 1 55 TYR HB3 . . 4.080 3.906 3.895 3.918 . 0 0 "[ . 1 . 2]" 2
837 1 30 ARG HH21 1 55 TYR HB3 . . 4.860 4.378 4.255 4.485 . 0 0 "[ . 1 . 2]" 2
838 1 50 ASN HD21 1 55 TYR HB3 . . 4.040 3.989 3.868 4.043 0.003 15 0 "[ . 1 . 2]" 2
839 1 50 ASN HD22 1 55 TYR HB3 . . 4.180 4.129 4.075 4.174 . 0 0 "[ . 1 . 2]" 2
840 1 55 TYR HB2 1 60 ILE MG . . 4.800 4.303 4.257 4.356 . 0 0 "[ . 1 . 2]" 2
841 1 56 ASN HA 1 57 ARG HG2 . . 5.030 4.558 4.526 4.581 . 0 0 "[ . 1 . 2]" 2
842 1 53 VAL HA 1 56 ASN HA . . 4.840 4.839 4.825 4.844 0.004 4 0 "[ . 1 . 2]" 2
843 1 48 ASP HA 1 56 ASN HA . . 4.180 4.004 3.972 4.038 . 0 0 "[ . 1 . 2]" 2
844 1 56 ASN HA 1 57 ARG HA . . 4.550 4.430 4.425 4.435 . 0 0 "[ . 1 . 2]" 2
845 1 55 TYR HA 1 56 ASN HA . . 4.570 4.471 4.466 4.474 . 0 0 "[ . 1 . 2]" 2
846 1 56 ASN HA 1 56 ASN HD22 . . 5.110 5.088 5.081 5.092 . 0 0 "[ . 1 . 2]" 2
847 1 56 ASN HA 1 56 ASN HD21 . . 4.270 4.074 4.057 4.085 . 0 0 "[ . 1 . 2]" 2
848 1 50 ASN HD22 1 56 ASN HA . . 4.780 4.668 4.638 4.708 . 0 0 "[ . 1 . 2]" 2
849 1 50 ASN HB2 1 56 ASN HB3 . . 4.750 4.423 4.381 4.466 . 0 0 "[ . 1 . 2]" 2
850 1 48 ASP HA 1 56 ASN HB3 . . 5.390 5.332 5.280 5.379 . 0 0 "[ . 1 . 2]" 2
851 1 56 ASN HB3 1 57 ARG H . . 4.730 4.429 4.418 4.438 . 0 0 "[ . 1 . 2]" 2
852 1 50 ASN H 1 56 ASN HB3 . . 4.910 4.588 4.553 4.616 . 0 0 "[ . 1 . 2]" 2
853 1 55 TYR H 1 56 ASN HB2 . . 5.220 5.225 5.219 5.231 0.011 1 0 "[ . 1 . 2]" 2
854 1 57 ARG HB2 1 59 ASP HB3 . . 5.060 3.860 3.806 3.930 . 0 0 "[ . 1 . 2]" 2
855 1 57 ARG HB2 1 57 ARG HD3 . . 3.970 3.748 3.722 3.786 . 0 0 "[ . 1 . 2]" 2
856 1 57 ARG HB2 1 60 ILE H . . 4.090 2.656 2.620 2.692 . 0 0 "[ . 1 . 2]" 2
857 1 57 ARG HB2 1 57 ARG HE . . 4.600 4.486 4.460 4.517 . 0 0 "[ . 1 . 2]" 2
858 1 57 ARG HB3 1 60 ILE HG12 . . 5.150 5.106 5.077 5.126 . 0 0 "[ . 1 . 2]" 2
859 1 57 ARG HB3 1 59 ASP HB3 . . 4.430 3.665 3.593 3.772 . 0 0 "[ . 1 . 2]" 2
860 1 57 ARG H 1 57 ARG HB3 . . 4.050 3.832 3.821 3.845 . 0 0 "[ . 1 . 2]" 2
861 1 57 ARG HB3 1 60 ILE H . . 4.090 3.451 3.422 3.487 . 0 0 "[ . 1 . 2]" 2
862 1 57 ARG HB3 1 57 ARG HE . . 4.450 4.327 4.302 4.344 . 0 0 "[ . 1 . 2]" 2
863 1 57 ARG HG3 1 59 ASP HB3 . . 5.500 5.166 5.105 5.241 . 0 0 "[ . 1 . 2]" 2
864 1 56 ASN HB3 1 57 ARG HG2 . . 4.740 4.724 4.696 4.741 0.001 8 0 "[ . 1 . 2]" 2
865 1 57 ARG HA 1 57 ARG HG2 . . 3.260 2.565 2.554 2.574 . 0 0 "[ . 1 . 2]" 2
866 1 56 ASN H 1 57 ARG HG3 . . 5.230 4.047 3.977 4.148 . 0 0 "[ . 1 . 2]" 2
867 1 57 ARG HG2 1 59 ASP H . . 5.500 5.094 5.084 5.118 . 0 0 "[ . 1 . 2]" 2
868 1 57 ARG HG3 1 59 ASP H . . 5.500 4.850 4.836 4.889 . 0 0 "[ . 1 . 2]" 2
869 1 57 ARG HG2 1 58 CYS H . . 4.550 4.536 4.519 4.549 . 0 0 "[ . 1 . 2]" 2
870 1 57 ARG HG3 1 60 ILE H . . 5.120 4.774 4.731 4.815 . 0 0 "[ . 1 . 2]" 2
871 1 56 ASN HD21 1 57 ARG HG2 . . 5.160 3.752 3.718 3.787 . 0 0 "[ . 1 . 2]" 2
872 1 56 ASN HD21 1 57 ARG HG3 . . 5.500 4.063 4.008 4.115 . 0 0 "[ . 1 . 2]" 2
873 1 57 ARG HA 1 57 ARG HD3 . . 4.020 2.988 2.929 3.036 . 0 0 "[ . 1 . 2]" 2
874 1 57 ARG HA 1 57 ARG HD2 . . 4.030 3.952 3.864 4.010 . 0 0 "[ . 1 . 2]" 2
875 1 57 ARG HD3 1 59 ASP H . . 5.020 4.918 4.892 4.952 . 0 0 "[ . 1 . 2]" 2
876 1 57 ARG H 1 57 ARG HD3 . . 5.360 5.079 5.048 5.099 . 0 0 "[ . 1 . 2]" 2
877 1 57 ARG H 1 57 ARG HD2 . . 5.500 5.399 5.380 5.416 . 0 0 "[ . 1 . 2]" 2
878 1 57 ARG HB3 1 58 CYS HA . . 5.260 4.798 4.768 4.822 . 0 0 "[ . 1 . 2]" 2
879 1 58 CYS HA 1 60 ILE HB . . 5.500 5.163 5.126 5.204 . 0 0 "[ . 1 . 2]" 2
880 1 30 ARG HH11 1 58 CYS HA . . 5.020 4.753 4.626 4.852 . 0 0 "[ . 1 . 2]" 2
881 1 30 ARG HH12 1 58 CYS HA . . 5.170 5.036 4.912 5.159 . 0 0 "[ . 1 . 2]" 2
882 1 57 ARG HA 1 58 CYS HB2 . . 4.610 4.532 4.513 4.553 . 0 0 "[ . 1 . 2]" 2
883 1 23 PHE QD 1 58 CYS HB2 . . 4.870 4.862 4.826 4.878 0.008 7 0 "[ . 1 . 2]" 2
884 1 47 CYS HB2 1 58 CYS HB3 . . 4.840 4.523 4.481 4.549 . 0 0 "[ . 1 . 2]" 2
885 1 58 CYS HB3 1 59 ASP HA . . 4.860 4.515 4.481 4.530 . 0 0 "[ . 1 . 2]" 2
886 1 26 CYS HA 1 58 CYS HB3 . . 5.260 5.124 5.034 5.165 . 0 0 "[ . 1 . 2]" 2
887 1 23 PHE QD 1 58 CYS HB3 . . 4.580 4.228 4.181 4.250 . 0 0 "[ . 1 . 2]" 2
888 1 59 ASP HB3 1 60 ILE HG13 . . 5.500 3.470 3.426 3.518 . 0 0 "[ . 1 . 2]" 2
889 1 57 ARG HB2 1 59 ASP HB2 . . 5.140 4.578 4.467 4.659 . 0 0 "[ . 1 . 2]" 2
890 1 59 ASP HB2 1 60 ILE HG13 . . 5.500 4.816 4.743 4.875 . 0 0 "[ . 1 . 2]" 2
891 1 60 ILE HA 1 61 PRO HG3 . . 4.460 4.325 4.317 4.333 . 0 0 "[ . 1 . 2]" 2
892 1 60 ILE HB 1 61 PRO HD3 . . 5.130 4.979 4.946 5.009 . 0 0 "[ . 1 . 2]" 2
893 1 55 TYR HA 1 60 ILE HB . . 3.940 2.821 2.753 2.876 . 0 0 "[ . 1 . 2]" 2
894 1 30 ARG HH22 1 60 ILE HB . . 4.940 4.091 4.006 4.158 . 0 0 "[ . 1 . 2]" 2
895 1 30 ARG HH11 1 60 ILE HB . . 4.380 2.647 2.585 2.749 . 0 0 "[ . 1 . 2]" 2
896 1 55 TYR QD 1 60 ILE HB . . 4.150 3.599 3.420 3.771 . 0 0 "[ . 1 . 2]" 2
897 1 59 ASP H 1 60 ILE HB . . 4.490 4.362 4.315 4.441 . 0 0 "[ . 1 . 2]" 2
898 1 30 ARG HH12 1 60 ILE HB . . 4.240 1.966 1.941 2.027 . 0 0 "[ . 1 . 2]" 2
899 1 60 ILE HG13 1 61 PRO HD3 . . 5.250 5.040 5.006 5.076 . 0 0 "[ . 1 . 2]" 2
900 1 55 TYR HA 1 60 ILE HG13 . . 4.470 4.342 4.287 4.424 . 0 0 "[ . 1 . 2]" 2
901 1 57 ARG H 1 60 ILE HG13 . . 4.600 3.821 3.790 3.860 . 0 0 "[ . 1 . 2]" 2
902 1 56 ASN H 1 60 ILE HG13 . . 4.900 4.824 4.790 4.852 . 0 0 "[ . 1 . 2]" 2
903 1 59 ASP H 1 60 ILE HG13 . . 4.430 3.571 3.535 3.635 . 0 0 "[ . 1 . 2]" 2
904 1 55 TYR HA 1 60 ILE HG12 . . 4.200 4.088 3.970 4.207 0.007 19 0 "[ . 1 . 2]" 2
905 1 60 ILE MD 1 60 ILE MG . . 2.530 2.318 2.290 2.333 . 0 0 "[ . 1 . 2]" 2
906 1 57 ARG HB2 1 60 ILE MD . . 2.730 2.058 2.034 2.104 . 0 0 "[ . 1 . 2]" 2
907 1 47 CYS HB3 1 60 ILE MD . . 4.900 4.500 4.426 4.583 . 0 0 "[ . 1 . 2]" 2
908 1 56 ASN HB3 1 60 ILE MD . . 5.210 4.391 4.355 4.414 . 0 0 "[ . 1 . 2]" 2
909 1 57 ARG HD2 1 60 ILE MD . . 4.180 4.114 4.068 4.183 0.003 17 0 "[ . 1 . 2]" 2
910 1 57 ARG HD3 1 60 ILE MD . . 4.820 4.562 4.513 4.619 . 0 0 "[ . 1 . 2]" 2
911 1 55 TYR HB3 1 60 ILE MD . . 4.480 3.897 3.808 3.997 . 0 0 "[ . 1 . 2]" 2
912 1 54 GLN HA 1 60 ILE MD . . 3.980 3.540 3.441 3.623 . 0 0 "[ . 1 . 2]" 2
913 1 57 ARG HA 1 60 ILE MD . . 4.370 3.955 3.899 4.014 . 0 0 "[ . 1 . 2]" 2
914 1 55 TYR HA 1 60 ILE MD . . 3.020 1.931 1.891 1.983 . 0 0 "[ . 1 . 2]" 2
915 1 30 ARG HH12 1 60 ILE MD . . 4.780 3.608 3.566 3.668 . 0 0 "[ . 1 . 2]" 2
916 1 60 ILE MG 1 61 PRO HG3 . . 4.300 4.127 4.089 4.162 . 0 0 "[ . 1 . 2]" 2
917 1 30 ARG HH22 1 60 ILE MG . . 4.370 3.353 3.234 3.481 . 0 0 "[ . 1 . 2]" 2
918 1 55 TYR HA 1 60 ILE MG . . 3.040 2.312 2.221 2.419 . 0 0 "[ . 1 . 2]" 2
919 1 30 ARG HH12 1 60 ILE MG . . 4.540 2.425 2.367 2.489 . 0 0 "[ . 1 . 2]" 2
920 1 60 ILE MG 1 61 PRO HA . . 4.260 4.095 4.057 4.134 . 0 0 "[ . 1 . 2]" 2
921 1 60 ILE MG 1 61 PRO HB2 . . 4.880 4.479 4.443 4.512 . 0 0 "[ . 1 . 2]" 2
922 1 60 ILE MG 1 61 PRO HB3 . . 4.880 4.739 4.719 4.757 . 0 0 "[ . 1 . 2]" 2
923 1 60 ILE HG12 1 61 PRO HD3 . . 4.820 4.663 4.606 4.718 . 0 0 "[ . 1 . 2]" 2
924 1 60 ILE H 1 61 PRO HD3 . . 4.930 4.791 4.748 4.834 . 0 0 "[ . 1 . 2]" 2
925 1 60 ILE MD 1 61 PRO HD2 . . 4.760 4.703 4.635 4.766 0.006 11 0 "[ . 1 . 2]" 2
926 1 60 ILE HG12 1 61 PRO HD2 . . 4.050 3.653 3.588 3.715 . 0 0 "[ . 1 . 2]" 2
927 1 60 ILE HG13 1 61 PRO HD2 . . 4.580 4.509 4.460 4.560 . 0 0 "[ . 1 . 2]" 2
928 1 60 ILE H 1 61 PRO HD2 . . 4.850 4.796 4.788 4.804 . 0 0 "[ . 1 . 2]" 2
929 1 60 ILE MG 1 62 GLU HA . . 4.680 4.416 4.350 4.514 . 0 0 "[ . 1 . 2]" 2
930 1 28 LYS HB3 1 62 GLU HA . . 4.280 3.887 3.717 4.096 . 0 0 "[ . 1 . 2]" 2
931 1 28 LYS HD3 1 62 GLU HA . . 4.290 3.549 3.411 3.693 . 0 0 "[ . 1 . 2]" 2
932 1 28 LYS HG2 1 62 GLU HB2 . . 4.710 4.434 4.316 4.518 . 0 0 "[ . 1 . 2]" 2
933 1 62 GLU HB3 1 63 GLU H . . 4.600 2.564 2.146 3.081 . 0 0 "[ . 1 . 2]" 2
934 1 28 LYS HB3 1 62 GLU HB3 . . 4.360 4.341 4.278 4.368 0.008 19 0 "[ . 1 . 2]" 2
935 1 28 LYS HG2 1 62 GLU HB3 . . 5.160 4.850 4.772 4.903 . 0 0 "[ . 1 . 2]" 2
936 1 28 LYS HG2 1 62 GLU HG2 . . 4.330 2.993 2.870 3.065 . 0 0 "[ . 1 . 2]" 2
937 1 28 LYS HG2 1 62 GLU HG3 . . 4.020 2.222 2.115 2.338 . 0 0 "[ . 1 . 2]" 2
938 1 28 LYS HA 1 62 GLU HG2 . . 4.210 3.096 2.948 3.224 . 0 0 "[ . 1 . 2]" 2
939 1 62 GLU HG2 1 63 GLU H . . 4.790 4.052 3.791 4.197 . 0 0 "[ . 1 . 2]" 2
940 1 62 GLU HG3 1 63 GLU H . . 4.790 4.750 4.616 4.792 0.002 14 0 "[ . 1 . 2]" 2
941 1 18 TRP HZ3 1 63 GLU HB3 . . 5.500 4.677 3.766 5.504 0.004 12 0 "[ . 1 . 2]" 2
942 1 63 GLU H 1 63 GLU HB3 . . 4.190 2.994 2.391 3.538 . 0 0 "[ . 1 . 2]" 2
943 1 18 TRP HZ3 1 63 GLU HB2 . . 5.500 4.303 3.523 5.492 . 0 0 "[ . 1 . 2]" 2
944 1 63 GLU H 1 63 GLU HG2 . . 5.130 3.934 2.143 4.691 . 0 0 "[ . 1 . 2]" 2
945 1 68 LEU H 1 68 LEU HG . . 4.530 3.993 2.259 4.517 . 0 0 "[ . 1 . 2]" 2
946 1 68 LEU HG 1 69 GLU HA . . 5.500 4.379 3.587 5.316 . 0 0 "[ . 1 . 2]" 2
947 1 37 ASP HB3 1 38 PRO HA . . 5.500 4.800 4.775 4.837 . 0 0 "[ . 1 . 2]" 2
948 1 37 ASP HB2 1 38 PRO HD3 . . 4.880 4.820 4.807 4.838 . 0 0 "[ . 1 . 2]" 2
949 1 37 ASP HB2 1 38 PRO HD2 . . 4.880 3.875 3.858 3.905 . 0 0 "[ . 1 . 2]" 2
950 1 37 ASP H 1 37 ASP HB2 . . 4.000 2.522 2.251 2.767 . 0 0 "[ . 1 . 2]" 2
951 1 15 CYS HB2 1 17 VAL MG1 . . 5.500 4.049 3.093 5.368 . 0 0 "[ . 1 . 2]" 2
952 1 15 CYS HB3 1 17 VAL MG1 . . 5.500 3.707 2.568 5.499 . 0 0 "[ . 1 . 2]" 2
953 1 55 TYR QD 1 60 ILE MD . . 4.150 4.017 3.888 4.140 . 0 0 "[ . 1 . 2]" 2
954 1 52 ASP HB3 1 55 TYR QD . . 4.630 3.153 2.884 3.396 . 0 0 "[ . 1 . 2]" 2
955 1 52 ASP HB2 1 55 TYR QD . . 4.630 4.375 4.172 4.570 . 0 0 "[ . 1 . 2]" 2
956 1 54 GLN HG3 1 55 TYR QD . . 4.230 4.163 4.125 4.208 . 0 0 "[ . 1 . 2]" 2
957 1 55 TYR QD 1 62 GLU HA . . 4.360 3.565 3.379 3.729 . 0 0 "[ . 1 . 2]" 2
958 1 54 GLN HA 1 55 TYR QD . . 4.670 4.380 4.339 4.405 . 0 0 "[ . 1 . 2]" 2
959 1 30 ARG HD2 1 55 TYR QD . . 4.600 4.599 4.583 4.608 0.008 19 0 "[ . 1 . 2]" 2
960 1 30 ARG HH22 1 55 TYR QD . . 3.920 2.958 2.830 3.053 . 0 0 "[ . 1 . 2]" 2
961 1 30 ARG HH21 1 55 TYR QD . . 3.980 3.655 3.421 3.807 . 0 0 "[ . 1 . 2]" 2
962 1 55 TYR H 1 55 TYR QD . . 3.470 2.906 2.813 3.019 . 0 0 "[ . 1 . 2]" 2
963 1 50 ASN HD21 1 55 TYR QD . . 4.530 4.415 4.274 4.539 0.009 8 0 "[ . 1 . 2]" 2
964 1 50 ASN HD22 1 55 TYR QD . . 4.550 4.350 4.187 4.498 . 0 0 "[ . 1 . 2]" 2
965 1 30 ARG HH22 1 55 TYR QE . . 4.710 4.183 4.090 4.232 . 0 0 "[ . 1 . 2]" 2
966 1 55 TYR QE 1 63 GLU H . . 4.780 3.704 3.196 4.473 . 0 0 "[ . 1 . 2]" 2
967 1 55 TYR QE 1 64 THR H . . 5.500 5.327 4.779 5.504 0.004 14 0 "[ . 1 . 2]" 2
968 1 23 PHE QD 1 26 CYS HB2 . . 4.570 3.572 3.541 3.621 . 0 0 "[ . 1 . 2]" 2
969 1 23 PHE QD 1 26 CYS H . . 5.000 4.846 4.833 4.862 . 0 0 "[ . 1 . 2]" 2
970 1 45 TRP HD1 1 49 GLN HB2 . . 4.300 3.461 3.398 3.505 . 0 0 "[ . 1 . 2]" 2
971 1 41 LEU HB3 1 45 TRP HD1 . . 4.260 3.680 3.432 3.866 . 0 0 "[ . 1 . 2]" 2
972 1 41 LEU HG 1 45 TRP HD1 . . 5.500 5.219 5.036 5.407 . 0 0 "[ . 1 . 2]" 2
973 1 42 PRO HD3 1 45 TRP HD1 . . 4.000 3.606 3.339 3.841 . 0 0 "[ . 1 . 2]" 2
974 1 41 LEU HA 1 45 TRP HD1 . . 4.760 4.552 4.345 4.744 . 0 0 "[ . 1 . 2]" 2
975 1 45 TRP H 1 45 TRP HD1 . . 5.110 4.953 4.826 5.118 0.008 16 0 "[ . 1 . 2]" 2
976 1 20 GLN HA 1 29 TRP HD1 . . 5.490 5.176 5.037 5.373 . 0 0 "[ . 1 . 2]" 2
977 1 29 TRP HA 1 29 TRP HD1 . . 4.640 4.135 4.097 4.179 . 0 0 "[ . 1 . 2]" 2
978 1 65 TRP HA 1 65 TRP HD1 . . 4.350 3.388 2.067 4.326 . 0 0 "[ . 1 . 2]" 2
979 1 32 LEU MD1 1 36 ILE MD . . 3.980 2.873 2.011 3.880 . 0 0 "[ . 1 . 2]" 2
980 1 30 ARG HD3 1 50 ASN HB2 . . 4.530 4.062 3.995 4.096 . 0 0 "[ . 1 . 2]" 2
981 1 17 VAL H 1 17 VAL HB . . 4.140 3.737 3.661 3.822 . 0 0 "[ . 1 . 2]" 2
982 1 20 GLN HB3 1 29 TRP HH2 . . 4.900 4.221 4.129 4.358 . 0 0 "[ . 1 . 2]" 2
983 1 18 TRP HH2 1 63 GLU HG2 . . 5.500 4.940 3.657 5.499 . 0 0 "[ . 1 . 2]" 2
984 1 18 TRP HH2 1 63 GLU HG3 . . 5.500 4.518 3.304 5.483 . 0 0 "[ . 1 . 2]" 2
985 1 19 VAL MG2 1 45 TRP HH2 . . 4.610 2.570 2.504 2.644 . 0 0 "[ . 1 . 2]" 2
986 1 19 VAL MG1 1 45 TRP HH2 . . 5.260 5.036 4.903 5.160 . 0 0 "[ . 1 . 2]" 2
987 1 45 TRP HH2 1 50 ASN HB3 . . 4.590 4.558 4.523 4.582 . 0 0 "[ . 1 . 2]" 2
988 1 45 TRP HH2 1 47 CYS HB3 . . 5.000 4.668 4.609 4.731 . 0 0 "[ . 1 . 2]" 2
989 1 30 ARG HD3 1 45 TRP HH2 . . 4.690 4.131 4.026 4.180 . 0 0 "[ . 1 . 2]" 2
990 1 45 TRP HH2 1 50 ASN HD21 . . 5.310 5.098 5.062 5.122 . 0 0 "[ . 1 . 2]" 2
991 1 45 TRP HH2 1 50 ASN H . . 4.790 4.637 4.564 4.710 . 0 0 "[ . 1 . 2]" 2
992 1 45 TRP HH2 1 50 ASN HD22 . . 4.900 4.871 4.824 4.901 0.001 10 0 "[ . 1 . 2]" 2
993 1 20 GLN HB2 1 29 TRP HZ3 . . 4.990 3.458 3.302 3.556 . 0 0 "[ . 1 . 2]" 2
994 1 18 TRP HB3 1 29 TRP HZ3 . . 4.700 4.119 3.846 4.393 . 0 0 "[ . 1 . 2]" 2
995 1 29 TRP HB3 1 29 TRP HZ3 . . 5.280 5.011 4.973 5.057 . 0 0 "[ . 1 . 2]" 2
996 1 18 TRP HB2 1 29 TRP HZ3 . . 4.430 3.748 3.501 3.983 . 0 0 "[ . 1 . 2]" 2
997 1 19 VAL MG1 1 45 TRP HE3 . . 4.890 4.850 4.787 4.897 0.007 19 0 "[ . 1 . 2]" 2
998 1 21 CYS HB3 1 45 TRP HZ3 . . 4.960 4.936 4.920 4.963 0.003 8 0 "[ . 1 . 2]" 2
999 1 30 ARG HD3 1 45 TRP HZ3 . . 5.500 5.463 5.346 5.508 0.008 5 0 "[ . 1 . 2]" 2
1000 1 45 TRP HB3 1 45 TRP HZ3 . . 5.500 5.037 5.019 5.048 . 0 0 "[ . 1 . 2]" 2
1001 1 19 VAL HA 1 29 TRP HE3 . . 4.490 3.109 3.052 3.178 . 0 0 "[ . 1 . 2]" 2
1002 1 29 TRP HE3 1 30 ARG H . . 4.400 4.162 3.903 4.361 . 0 0 "[ . 1 . 2]" 2
1003 1 28 LYS HG3 1 29 TRP H . . 5.230 5.012 4.991 5.038 . 0 0 "[ . 1 . 2]" 2
1004 1 19 VAL MG2 1 41 LEU MD1 . . 4.150 3.533 3.373 3.774 . 0 0 "[ . 1 . 2]" 2
1005 1 19 VAL MG1 1 41 LEU MD1 . . 4.010 1.844 1.777 2.024 . 0 0 "[ . 1 . 2]" 2
1006 1 41 LEU HA 1 41 LEU MD1 . . 4.430 3.844 3.825 3.868 . 0 0 "[ . 1 . 2]" 2
1007 1 20 GLN HE21 1 29 TRP HZ2 . . 4.680 4.382 4.040 4.589 . 0 0 "[ . 1 . 2]" 2
1008 1 20 GLN H 1 29 TRP HZ2 . . 5.500 5.279 5.200 5.427 . 0 0 "[ . 1 . 2]" 2
1009 1 17 VAL MG1 1 38 PRO HD2 . . 6.320 4.097 3.384 4.763 . 0 0 "[ . 1 . 2]" 2
1010 1 16 LEU HA 1 17 VAL MG1 . . 4.970 4.172 3.830 4.733 . 0 0 "[ . 1 . 2]" 2
1011 1 17 VAL H 1 17 VAL MG1 . . 4.330 2.944 2.635 3.142 . 0 0 "[ . 1 . 2]" 2
1012 1 30 ARG HG3 1 45 TRP HZ2 . . 4.710 4.345 4.314 4.387 . 0 0 "[ . 1 . 2]" 2
1013 1 45 TRP HZ2 1 49 GLN HB3 . . 4.630 4.169 4.102 4.225 . 0 0 "[ . 1 . 2]" 2
1014 1 30 ARG HB3 1 45 TRP HZ2 . . 4.800 4.454 4.399 4.566 . 0 0 "[ . 1 . 2]" 2
1015 1 45 TRP HZ2 1 51 THR MG . . 4.870 4.791 4.601 4.872 0.002 15 0 "[ . 1 . 2]" 2
1016 1 30 ARG HB2 1 45 TRP HZ2 . . 4.760 3.824 3.785 3.954 . 0 0 "[ . 1 . 2]" 2
1017 1 36 ILE H 1 36 ILE MG . . 4.400 3.860 3.776 3.914 . 0 0 "[ . 1 . 2]" 2
1018 1 29 TRP HA 1 30 ARG HB2 . . 4.910 4.682 4.667 4.701 . 0 0 "[ . 1 . 2]" 2
1019 1 20 GLN HB2 1 29 TRP HH2 . . 4.900 3.295 3.210 3.358 . 0 0 "[ . 1 . 2]" 2
1020 1 25 ASN HB3 1 26 CYS H . . 4.410 4.058 3.747 4.218 . 0 0 "[ . 1 . 2]" 2
1021 1 29 TRP HB3 1 29 TRP HE3 . . 3.500 2.642 2.594 2.699 . 0 0 "[ . 1 . 2]" 2
1022 1 9 ILE HG13 1 9 ILE MG . . 3.490 2.785 2.259 3.194 . 0 0 "[ . 1 . 2]" 2
1023 1 17 VAL MG2 1 32 LEU HB2 . . 4.830 2.086 1.925 2.246 . 0 0 "[ . 1 . 2]" 2
1024 1 16 LEU HA 1 17 VAL MG2 . . 4.970 3.859 3.501 4.636 . 0 0 "[ . 1 . 2]" 2
1025 1 17 VAL MG2 1 38 PRO HD3 . . 6.320 4.621 3.761 5.381 . 0 0 "[ . 1 . 2]" 2
1026 1 17 VAL H 1 17 VAL MG2 . . 4.330 2.019 1.921 2.182 . 0 0 "[ . 1 . 2]" 2
1027 1 17 VAL MG2 1 18 TRP H . . 4.260 3.941 3.785 4.123 . 0 0 "[ . 1 . 2]" 2
1028 1 19 VAL HB 1 41 LEU MD1 . . 4.420 3.675 3.377 3.947 . 0 0 "[ . 1 . 2]" 2
1029 1 19 VAL MG1 1 45 TRP HD1 . . 4.820 4.802 4.729 4.826 0.006 19 0 "[ . 1 . 2]" 2
1030 1 19 VAL MG1 1 29 TRP HZ3 . . 4.930 4.152 3.969 4.328 . 0 0 "[ . 1 . 2]" 2
1031 1 19 VAL MG1 1 41 LEU MD2 . . 4.400 3.105 2.951 3.282 . 0 0 "[ . 1 . 2]" 2
1032 1 19 VAL MG1 1 32 LEU MD2 . . 3.800 3.607 3.329 3.811 0.011 4 0 "[ . 1 . 2]" 2
1033 1 18 TRP HA 1 19 VAL MG2 . . 4.580 3.394 3.292 3.450 . 0 0 "[ . 1 . 2]" 2
1034 1 19 VAL MG2 1 30 ARG HB3 . . 4.580 3.563 3.438 3.676 . 0 0 "[ . 1 . 2]" 2
1035 1 21 CYS HA 1 46 SER HB2 . . 4.830 4.738 4.690 4.833 0.003 8 0 "[ . 1 . 2]" 2
1036 1 23 PHE HB3 1 27 GLY H . . 5.460 4.914 4.857 4.942 . 0 0 "[ . 1 . 2]" 2
1037 1 24 PRO HA 1 25 ASN HA . . 5.080 4.811 4.809 4.813 . 0 0 "[ . 1 . 2]" 2
1038 1 23 PHE HA 1 24 PRO HB2 . . 5.500 5.529 5.524 5.532 0.032 11 0 "[ . 1 . 2]" 2
1039 1 23 PHE HA 1 24 PRO HB3 . . 4.960 4.829 4.828 4.830 . 0 0 "[ . 1 . 2]" 2
1040 1 24 PRO HG2 1 25 ASN H . . 4.550 1.945 1.942 1.948 . 0 0 "[ . 1 . 2]" 2
1041 1 23 PHE HB2 1 24 PRO HD3 . . 4.970 4.828 4.813 4.849 . 0 0 "[ . 1 . 2]" 2
1042 1 26 CYS HB3 1 58 CYS HA . . 5.210 5.004 4.971 5.031 . 0 0 "[ . 1 . 2]" 2
1043 1 20 GLN HE22 1 27 GLY HA3 . . 4.460 4.285 4.156 4.405 . 0 0 "[ . 1 . 2]" 2
1044 1 28 LYS HB2 1 30 ARG HE . . 5.010 3.406 3.348 3.442 . 0 0 "[ . 1 . 2]" 2
1045 1 28 LYS HB3 1 30 ARG HE . . 5.230 2.969 2.939 2.998 . 0 0 "[ . 1 . 2]" 2
1046 1 26 CYS HB3 1 28 LYS HB2 . . 4.340 3.754 3.739 3.775 . 0 0 "[ . 1 . 2]" 2
1047 1 28 LYS HB2 1 30 ARG HG3 . . 5.310 5.007 4.916 5.109 . 0 0 "[ . 1 . 2]" 2
1048 1 28 LYS HB3 1 30 ARG HD2 . . 5.500 5.003 4.960 5.033 . 0 0 "[ . 1 . 2]" 2
1049 1 28 LYS HD3 1 62 GLU HG2 . . 4.490 3.058 2.984 3.193 . 0 0 "[ . 1 . 2]" 2
1050 1 28 LYS HD2 1 58 CYS HA . . 4.420 4.307 4.252 4.359 . 0 0 "[ . 1 . 2]" 2
1051 1 28 LYS HE2 1 59 ASP HA . . 5.250 4.960 4.832 5.045 . 0 0 "[ . 1 . 2]" 2
1052 1 28 LYS HE3 1 62 GLU HA . . 5.240 5.129 5.055 5.191 . 0 0 "[ . 1 . 2]" 2
1053 1 28 LYS HE2 1 62 GLU HG3 . . 4.580 3.817 3.714 3.911 . 0 0 "[ . 1 . 2]" 2
1054 1 30 ARG HB3 1 31 ARG H . . 4.640 2.822 2.169 3.502 . 0 0 "[ . 1 . 2]" 2
1055 1 30 ARG HD2 1 55 TYR HB2 . . 4.870 4.296 4.137 4.540 . 0 0 "[ . 1 . 2]" 2
1056 1 30 ARG HB2 1 30 ARG HD3 . . 4.140 3.482 3.465 3.497 . 0 0 "[ . 1 . 2]" 2
1057 1 32 LEU HB3 1 33 CYS H . . 4.590 2.196 1.951 2.745 . 0 0 "[ . 1 . 2]" 2
1058 1 17 VAL HB 1 32 LEU HB2 . . 4.180 3.932 3.560 4.188 0.008 10 0 "[ . 1 . 2]" 2
1059 1 32 LEU HG 1 36 ILE MD . . 4.940 4.482 3.894 4.971 0.031 10 0 "[ . 1 . 2]" 2
1060 1 32 LEU MD1 1 45 TRP HZ2 . . 4.450 3.989 3.390 4.226 . 0 0 "[ . 1 . 2]" 2
1061 1 32 LEU MD1 1 33 CYS H . . 4.610 4.215 3.875 4.465 . 0 0 "[ . 1 . 2]" 2
1062 1 32 LEU MD1 1 45 TRP HE1 . . 4.440 3.948 3.390 4.329 . 0 0 "[ . 1 . 2]" 2
1063 1 32 LEU H 1 32 LEU MD1 . . 5.020 3.933 3.532 4.400 . 0 0 "[ . 1 . 2]" 2
1064 1 32 LEU MD2 1 36 ILE MD . . 3.980 2.419 1.929 3.426 . 0 0 "[ . 1 . 2]" 2
1065 1 33 CYS HB3 1 33 CYS HG . . 3.210 2.915 2.573 3.234 0.024 18 0 "[ . 1 . 2]" 2
1066 1 33 CYS HB2 1 33 CYS HG . . 3.210 2.760 2.557 3.236 0.026 18 0 "[ . 1 . 2]" 2
1067 1 36 ILE HA 1 37 ASP HA . . 4.790 4.407 4.376 4.451 . 0 0 "[ . 1 . 2]" 2
1068 1 32 LEU HA 1 36 ILE MD . . 4.950 3.980 3.638 4.964 0.014 10 0 "[ . 1 . 2]" 2
1069 1 33 CYS H 1 36 ILE MD . . 4.910 2.560 1.958 3.936 . 0 0 "[ . 1 . 2]" 2
1070 1 36 ILE MG 1 37 ASP HB3 . . 4.730 4.723 4.638 4.777 0.047 7 0 "[ . 1 . 2]" 2
1071 1 32 LEU HB2 1 36 ILE MG . . 4.300 4.224 4.023 4.311 0.011 9 0 "[ . 1 . 2]" 2
1072 1 32 LEU HG 1 36 ILE MG . . 4.650 4.587 4.269 4.652 0.002 9 0 "[ . 1 . 2]" 2
1073 1 17 VAL MG1 1 38 PRO HD3 . . 6.320 3.197 1.997 4.106 . 0 0 "[ . 1 . 2]" 2
1074 1 38 PRO HD3 1 39 SER H . . 4.780 3.853 3.836 3.891 . 0 0 "[ . 1 . 2]" 2
1075 1 38 PRO HD2 1 39 SER H . . 4.780 2.674 2.647 2.739 . 0 0 "[ . 1 . 2]" 2
1076 1 39 SER HB2 1 40 VAL H . . 4.920 3.360 2.622 4.207 . 0 0 "[ . 1 . 2]" 2
1077 1 40 VAL MG2 1 41 LEU HA . . 4.430 3.575 3.160 4.138 . 0 0 "[ . 1 . 2]" 2
1078 1 41 LEU HB2 1 45 TRP HD1 . . 5.500 5.358 5.143 5.503 0.003 20 0 "[ . 1 . 2]" 2
1079 1 41 LEU HA 1 41 LEU HG . . 4.190 2.715 2.599 2.924 . 0 0 "[ . 1 . 2]" 2
1080 1 42 PRO HG2 1 45 TRP HB2 . . 4.580 2.023 1.996 2.137 . 0 0 "[ . 1 . 2]" 2
1081 1 42 PRO HG3 1 45 TRP HB2 . . 4.150 3.700 3.555 3.815 . 0 0 "[ . 1 . 2]" 2
1082 1 61 PRO HG3 1 62 GLU H . . 5.230 5.190 5.128 5.242 0.012 17 0 "[ . 1 . 2]" 2
1083 1 42 PRO HD2 1 45 TRP HB2 . . 4.140 3.031 2.884 3.162 . 0 0 "[ . 1 . 2]" 2
1084 1 22 SER HB3 1 45 TRP HB3 . . 5.480 5.263 4.952 5.430 . 0 0 "[ . 1 . 2]" 2
1085 1 45 TRP HD1 1 49 GLN HG2 . . 5.330 4.715 4.686 4.767 . 0 0 "[ . 1 . 2]" 2
1086 1 45 TRP HD1 1 49 GLN HG3 . . 5.500 5.122 5.097 5.149 . 0 0 "[ . 1 . 2]" 2
1087 1 42 PRO HG2 1 45 TRP HD1 . . 4.350 2.625 2.497 2.768 . 0 0 "[ . 1 . 2]" 2
1088 1 41 LEU MD1 1 45 TRP HD1 . . 4.330 4.203 3.954 4.332 0.002 10 0 "[ . 1 . 2]" 2
1089 1 45 TRP HB3 1 46 SER HA . . 4.670 4.573 4.537 4.599 . 0 0 "[ . 1 . 2]" 2
1090 1 21 CYS HB2 1 46 SER HA . . 4.040 3.961 3.890 4.015 . 0 0 "[ . 1 . 2]" 2
1091 1 45 TRP HA 1 46 SER HA . . 4.670 4.439 4.432 4.448 . 0 0 "[ . 1 . 2]" 2
1092 1 30 ARG HD3 1 47 CYS HA . . 4.590 4.183 4.077 4.224 . 0 0 "[ . 1 . 2]" 2
1093 1 47 CYS HB2 1 58 CYS HB2 . . 4.330 4.188 4.157 4.230 . 0 0 "[ . 1 . 2]" 2
1094 1 47 CYS HB2 1 49 GLN H . . 4.860 4.851 4.831 4.861 0.001 7 0 "[ . 1 . 2]" 2
1095 1 47 CYS HB3 1 60 ILE HB . . 4.810 4.819 4.813 4.824 0.014 9 0 "[ . 1 . 2]" 2
1096 1 48 ASP HB2 1 49 GLN H . . 4.570 4.230 4.192 4.265 . 0 0 "[ . 1 . 2]" 2
1097 1 47 CYS HB2 1 48 ASP HB3 . . 5.210 5.113 5.045 5.177 . 0 0 "[ . 1 . 2]" 2
1098 1 47 CYS HB2 1 48 ASP HB2 . . 4.530 4.492 4.443 4.533 0.003 9 0 "[ . 1 . 2]" 2
1099 1 48 ASP HB2 1 57 ARG HA . . 4.270 4.112 4.076 4.152 . 0 0 "[ . 1 . 2]" 2
1100 1 48 ASP H 1 49 GLN HG3 . . 4.520 4.503 4.456 4.521 0.001 8 0 "[ . 1 . 2]" 2
1101 1 45 TRP HA 1 49 GLN HG3 . . 4.420 4.242 4.210 4.283 . 0 0 "[ . 1 . 2]" 2
1102 1 50 ASN HB3 1 52 ASP H . . 4.700 3.216 3.179 3.268 . 0 0 "[ . 1 . 2]" 2
1103 1 49 GLN H 1 50 ASN HB3 . . 5.350 5.232 5.199 5.244 . 0 0 "[ . 1 . 2]" 2
1104 1 51 THR HA 1 53 VAL MG1 . . 5.270 4.950 4.878 5.009 . 0 0 "[ . 1 . 2]" 2
1105 1 50 ASN HB3 1 53 VAL HA . . 5.210 5.005 4.973 5.028 . 0 0 "[ . 1 . 2]" 2
1106 1 53 VAL MG1 1 54 GLN HG2 . . 5.340 5.219 5.177 5.249 . 0 0 "[ . 1 . 2]" 2
1107 1 53 VAL MG2 1 54 GLN HB3 . . 4.620 4.529 4.495 4.563 . 0 0 "[ . 1 . 2]" 2
1108 1 53 VAL MG1 1 54 GLN HA . . 5.500 5.429 5.426 5.431 . 0 0 "[ . 1 . 2]" 2
1109 1 54 GLN HA 1 60 ILE MG . . 4.860 4.380 4.215 4.507 . 0 0 "[ . 1 . 2]" 2
1110 1 54 GLN HA 1 54 GLN HE21 . . 5.110 4.368 3.773 5.024 . 0 0 "[ . 1 . 2]" 2
1111 1 53 VAL MG1 1 54 GLN HG3 . . 5.260 5.251 5.211 5.265 0.005 18 0 "[ . 1 . 2]" 2
1112 1 55 TYR QE 1 62 GLU HA . . 4.480 3.570 3.332 3.741 . 0 0 "[ . 1 . 2]" 2
1113 1 50 ASN HD21 1 56 ASN HA . . 4.320 3.161 3.122 3.232 . 0 0 "[ . 1 . 2]" 2
1114 1 57 ARG HG3 1 60 ILE HG12 . . 4.360 4.233 4.164 4.303 . 0 0 "[ . 1 . 2]" 2
1115 1 57 ARG HB3 1 59 ASP HB2 . . 5.020 3.726 3.647 3.784 . 0 0 "[ . 1 . 2]" 2
1116 1 56 ASN H 1 60 ILE HB . . 4.700 4.463 4.378 4.536 . 0 0 "[ . 1 . 2]" 2
1117 1 60 ILE MG 1 61 PRO HG2 . . 3.700 3.169 3.161 3.184 . 0 0 "[ . 1 . 2]" 2
1118 1 30 ARG HD3 1 60 ILE MG . . 4.890 4.887 4.863 4.905 0.015 2 0 "[ . 1 . 2]" 2
1119 1 30 ARG HH11 1 60 ILE MG . . 4.220 3.361 3.265 3.445 . 0 0 "[ . 1 . 2]" 2
1120 1 61 PRO HA 1 62 GLU HB2 . . 5.090 4.768 4.678 4.834 . 0 0 "[ . 1 . 2]" 2
1121 1 61 PRO HA 1 62 GLU HG3 . . 4.590 3.777 3.652 3.928 . 0 0 "[ . 1 . 2]" 2
1122 1 61 PRO HA 1 62 GLU HG2 . . 5.500 5.283 5.177 5.440 . 0 0 "[ . 1 . 2]" 2
1123 1 28 LYS HG3 1 62 GLU HG3 . . 4.410 3.742 3.649 3.831 . 0 0 "[ . 1 . 2]" 2
1124 1 28 LYS HG3 1 62 GLU HG2 . . 4.550 4.365 4.265 4.419 . 0 0 "[ . 1 . 2]" 2
1125 1 26 CYS HB3 1 28 LYS HG3 . . 4.340 3.525 3.460 3.562 . 0 0 "[ . 1 . 2]" 2
1126 1 58 CYS HB2 1 59 ASP HB2 . . 4.700 4.577 4.555 4.588 . 0 0 "[ . 1 . 2]" 2
1127 1 20 GLN HG3 1 29 TRP HD1 . . 5.010 3.810 3.651 3.968 . 0 0 "[ . 1 . 2]" 2
1128 1 20 GLN HE21 1 29 TRP HD1 . . 5.110 4.227 3.914 4.604 . 0 0 "[ . 1 . 2]" 2
1129 1 20 GLN H 1 29 TRP HE3 . . 4.960 3.440 3.326 3.648 . 0 0 "[ . 1 . 2]" 2
1130 1 23 PHE QD 1 24 PRO HG2 . . 4.970 4.881 4.828 4.920 . 0 0 "[ . 1 . 2]" 2
1131 1 22 SER H 1 23 PHE QD . . 5.120 4.171 4.106 4.305 . 0 0 "[ . 1 . 2]" 2
1132 1 23 PHE HZ 1 46 SER HB3 . . 4.670 4.528 4.421 4.630 . 0 0 "[ . 1 . 2]" 2
1133 1 22 SER HB2 1 45 TRP H . . 5.140 3.212 2.923 3.620 . 0 0 "[ . 1 . 2]" 2
1134 1 22 SER HB3 1 45 TRP H . . 5.140 4.387 4.098 4.657 . 0 0 "[ . 1 . 2]" 2
1135 1 22 SER HB3 1 46 SER HB3 . . 5.180 3.146 3.097 3.242 . 0 0 "[ . 1 . 2]" 2
1136 1 22 SER HB2 1 46 SER HB3 . . 5.180 4.571 4.414 4.866 . 0 0 "[ . 1 . 2]" 2
1137 1 22 SER HB2 1 45 TRP HB3 . . 5.480 4.363 4.220 4.852 . 0 0 "[ . 1 . 2]" 2
1138 1 20 GLN HG3 1 29 TRP HA . . 4.550 3.703 3.516 3.926 . 0 0 "[ . 1 . 2]" 2
1139 1 20 GLN HG2 1 29 TRP HA . . 5.130 4.493 4.357 4.734 . 0 0 "[ . 1 . 2]" 2
1140 1 17 VAL HB 1 18 TRP H . . 4.710 3.038 2.622 3.411 . 0 0 "[ . 1 . 2]" 2
1141 1 15 CYS HB2 1 17 VAL MG2 . . 5.500 4.578 2.433 5.500 . 0 0 "[ . 1 . 2]" 2
1142 1 15 CYS HB3 1 17 VAL MG2 . . 5.500 4.468 2.899 5.489 . 0 0 "[ . 1 . 2]" 2
1143 1 36 ILE MD 1 37 ASP H . . 5.150 4.890 3.529 5.072 . 0 0 "[ . 1 . 2]" 2
1144 1 41 LEU HB3 1 42 PRO HG2 . . 3.840 3.806 3.776 3.843 0.003 8 0 "[ . 1 . 2]" 2
1145 1 22 SER H 1 45 TRP HB3 . . 4.970 4.876 4.744 4.941 . 0 0 "[ . 1 . 2]" 2
1146 1 19 VAL MG2 1 45 TRP HD1 . . 5.420 5.090 4.884 5.229 . 0 0 "[ . 1 . 2]" 2
1147 1 48 ASP HB2 1 49 GLN HG3 . . 5.300 5.087 5.015 5.149 . 0 0 "[ . 1 . 2]" 2
1148 1 48 ASP HB3 1 49 GLN HG3 . . 4.890 3.395 3.313 3.473 . 0 0 "[ . 1 . 2]" 2
1149 1 50 ASN HB2 1 56 ASN HB2 . . 4.240 3.890 3.849 3.944 . 0 0 "[ . 1 . 2]" 2
1150 1 56 ASN HA 1 60 ILE MD . . 4.660 4.136 4.074 4.203 . 0 0 "[ . 1 . 2]" 2
1151 1 28 LYS HB3 1 62 GLU HB2 . . 4.970 4.773 4.691 4.845 . 0 0 "[ . 1 . 2]" 2
1152 1 28 LYS HD3 1 62 GLU HB2 . . 4.590 4.385 4.267 4.501 . 0 0 "[ . 1 . 2]" 2
1153 1 28 LYS HD3 1 62 GLU HB3 . . 4.970 4.721 4.677 4.761 . 0 0 "[ . 1 . 2]" 2
1154 1 29 TRP HB2 1 62 GLU HB3 . . 5.180 5.001 4.926 5.067 . 0 0 "[ . 1 . 2]" 2
1155 1 68 LEU HA 1 68 LEU MD1 . . 4.800 2.808 2.100 4.113 . 0 0 "[ . 1 . 2]" 2
1156 1 61 PRO HG2 1 62 GLU H . . 4.760 4.526 4.463 4.579 . 0 0 "[ . 1 . 2]" 2
1157 1 28 LYS HE3 1 62 GLU HG3 . . 4.280 2.792 2.730 2.885 . 0 0 "[ . 1 . 2]" 2
1158 1 28 LYS HE3 1 62 GLU HG2 . . 4.840 4.443 4.355 4.584 . 0 0 "[ . 1 . 2]" 2
1159 1 29 TRP HB2 1 62 GLU HG2 . . 5.220 4.441 4.335 4.537 . 0 0 "[ . 1 . 2]" 2
1160 1 60 ILE HB 1 61 PRO HD2 . . 4.280 4.140 4.069 4.206 . 0 0 "[ . 1 . 2]" 2
1161 1 23 PHE HZ 1 46 SER HB2 . . 5.500 5.152 5.066 5.270 . 0 0 "[ . 1 . 2]" 2
1162 1 23 PHE HB2 1 25 ASN H . . 5.230 4.398 4.369 4.448 . 0 0 "[ . 1 . 2]" 2
1163 1 19 VAL HB 1 30 ARG H . . 5.260 4.823 4.712 4.958 . 0 0 "[ . 1 . 2]" 2
1164 1 8 GLU H 1 8 GLU QB . . 3.380 2.457 2.160 3.302 . 0 0 "[ . 1 . 2]" 2
1165 1 8 GLU H 1 8 GLU QG . . 4.610 3.342 2.178 4.097 . 0 0 "[ . 1 . 2]" 2
1166 1 8 GLU QB 1 9 ILE H . . 4.070 3.474 2.398 4.021 . 0 0 "[ . 1 . 2]" 2
1167 1 9 ILE H 1 9 ILE QG . . 3.390 2.178 1.963 2.646 . 0 0 "[ . 1 . 2]" 2
1168 1 9 ILE HA 1 9 ILE QG . . 3.510 3.123 2.477 3.386 . 0 0 "[ . 1 . 2]" 2
1169 1 12 PHE H 1 12 PHE QB . . 3.620 2.512 2.167 3.241 . 0 0 "[ . 1 . 2]" 2
1170 1 13 GLY QA 1 14 GLN QG . . 4.760 3.868 3.178 4.684 . 0 0 "[ . 1 . 2]" 2
1171 1 14 GLN H 1 14 GLN QG . . 4.580 2.711 2.012 4.282 . 0 0 "[ . 1 . 2]" 2
1172 1 14 GLN HA 1 14 GLN QG . . 3.650 2.787 2.125 3.439 . 0 0 "[ . 1 . 2]" 2
1173 1 15 CYS QB 1 17 VAL QG . . 4.240 3.003 2.393 4.091 . 0 0 "[ . 1 . 2]" 2
1174 1 16 LEU H 1 17 VAL QG . . 4.550 3.610 2.790 4.028 . 0 0 "[ . 1 . 2]" 2
1175 1 16 LEU HA 1 17 VAL QG . . 4.220 3.554 3.285 4.028 . 0 0 "[ . 1 . 2]" 2
1176 1 17 VAL H 1 17 VAL QG . . 3.680 1.985 1.897 2.139 . 0 0 "[ . 1 . 2]" 2
1177 1 17 VAL HB 1 32 LEU QD . . 4.570 3.558 3.166 3.963 . 0 0 "[ . 1 . 2]" 2
1178 1 17 VAL QG 1 18 TRP H . . 3.590 3.439 3.273 3.564 . 0 0 "[ . 1 . 2]" 2
1179 1 17 VAL QG 1 18 TRP HA . . 4.630 3.920 3.696 4.091 . 0 0 "[ . 1 . 2]" 2
1180 1 17 VAL QG 1 18 TRP HD1 . . 5.370 4.378 4.100 4.895 . 0 0 "[ . 1 . 2]" 2
1181 1 17 VAL QG 1 19 VAL MG1 . . 4.060 3.846 3.439 4.017 . 0 0 "[ . 1 . 2]" 2
1182 1 17 VAL QG 1 19 VAL MG2 . . 4.720 4.532 4.304 4.645 . 0 0 "[ . 1 . 2]" 2
1183 1 17 VAL QG 1 32 LEU H . . 5.080 3.065 2.376 3.663 . 0 0 "[ . 1 . 2]" 2
1184 1 17 VAL QG 1 32 LEU HA . . 5.190 4.348 4.150 4.532 . 0 0 "[ . 1 . 2]" 2
1185 1 17 VAL QG 1 32 LEU HB2 . . 3.510 2.083 1.923 2.242 . 0 0 "[ . 1 . 2]" 2
1186 1 17 VAL QG 1 32 LEU HG . . 4.600 3.990 3.564 4.312 . 0 0 "[ . 1 . 2]" 2
1187 1 17 VAL QG 1 38 PRO QD . . 3.940 3.019 1.975 3.756 . 0 0 "[ . 1 . 2]" 2
1188 1 17 VAL MG2 1 38 PRO HD2 . . 6.320 5.749 4.992 6.327 0.007 10 0 "[ . 1 . 2]" 2
1189 1 18 TRP HZ3 1 63 GLU QB . . 4.730 3.809 3.368 4.731 0.001 20 0 "[ . 1 . 2]" 2
1190 1 18 TRP HZ2 1 31 ARG QD . . 4.430 3.767 2.825 4.395 . 0 0 "[ . 1 . 2]" 2
1191 1 18 TRP HH2 1 31 ARG QD . . 5.090 3.526 2.364 4.896 . 0 0 "[ . 1 . 2]" 2
1192 1 18 TRP HH2 1 63 GLU QB . . 4.600 3.589 3.075 4.573 . 0 0 "[ . 1 . 2]" 2
1193 1 19 VAL HA 1 20 GLN QB . . 4.580 4.029 4.004 4.053 . 0 0 "[ . 1 . 2]" 2
1194 1 19 VAL HB 1 32 LEU QD . . 3.980 3.692 3.475 3.907 . 0 0 "[ . 1 . 2]" 2
1195 1 19 VAL MG1 1 32 LEU QD . . 3.330 1.807 1.726 1.928 . 0 0 "[ . 1 . 2]" 2
1196 1 19 VAL MG2 1 32 LEU QD . . 3.050 2.157 1.880 2.461 . 0 0 "[ . 1 . 2]" 2
1197 1 20 GLN H 1 20 GLN QB . . 3.190 2.330 2.285 2.358 . 0 0 "[ . 1 . 2]" 2
1198 1 20 GLN QB 1 20 GLN HE21 . . 4.210 3.702 3.550 3.802 . 0 0 "[ . 1 . 2]" 2
1199 1 20 GLN QB 1 21 CYS H . . 3.780 3.669 3.642 3.706 . 0 0 "[ . 1 . 2]" 2
1200 1 20 GLN QB 1 29 TRP HA . . 4.760 3.791 3.705 3.981 . 0 0 "[ . 1 . 2]" 2
1201 1 20 GLN QB 1 29 TRP HE3 . . 5.280 3.523 3.458 3.603 . 0 0 "[ . 1 . 2]" 2
1202 1 20 GLN QB 1 29 TRP HZ3 . . 4.290 3.361 3.221 3.456 . 0 0 "[ . 1 . 2]" 2
1203 1 20 GLN QB 1 29 TRP HZ2 . . 4.760 3.181 3.145 3.297 . 0 0 "[ . 1 . 2]" 2
1204 1 20 GLN QB 1 29 TRP HH2 . . 4.180 3.184 3.121 3.253 . 0 0 "[ . 1 . 2]" 2
1205 1 22 SER H 1 22 SER QB . . 2.890 2.207 2.098 2.269 . 0 0 "[ . 1 . 2]" 2
1206 1 22 SER HA 1 22 SER QB . . 2.580 2.265 2.183 2.313 . 0 0 "[ . 1 . 2]" 2
1207 1 22 SER QB 1 44 ASN QB . . 4.420 3.717 3.464 4.247 . 0 0 "[ . 1 . 2]" 2
1208 1 22 SER QB 1 45 TRP H . . 4.510 3.134 2.873 3.422 . 0 0 "[ . 1 . 2]" 2
1209 1 22 SER QB 1 45 TRP HB3 . . 4.650 4.157 4.082 4.366 . 0 0 "[ . 1 . 2]" 2
1210 1 22 SER QB 1 46 SER HB3 . . 4.490 3.093 3.042 3.171 . 0 0 "[ . 1 . 2]" 2
1211 1 25 ASN H 1 25 ASN QD . . 3.900 2.841 2.002 3.773 . 0 0 "[ . 1 . 2]" 2
1212 1 25 ASN HA 1 25 ASN QB . . 2.630 2.240 2.177 2.462 . 0 0 "[ . 1 . 2]" 2
1213 1 25 ASN QB 1 25 ASN QD . . 2.960 2.200 2.064 2.562 . 0 0 "[ . 1 . 2]" 2
1214 1 25 ASN QB 1 26 CYS H . . 3.850 3.392 2.916 3.612 . 0 0 "[ . 1 . 2]" 2
1215 1 28 LYS HE2 1 61 PRO QB . . 4.380 4.059 3.897 4.216 . 0 0 "[ . 1 . 2]" 2
1216 1 28 LYS HE3 1 61 PRO QB . . 4.400 4.299 4.073 4.415 0.015 2 0 "[ . 1 . 2]" 2
1217 1 30 ARG HB2 1 32 LEU QD . . 4.510 4.100 3.731 4.341 . 0 0 "[ . 1 . 2]" 2
1218 1 30 ARG HB3 1 32 LEU QD . . 4.660 4.429 4.116 4.663 0.003 16 0 "[ . 1 . 2]" 2
1219 1 31 ARG H 1 31 ARG QG . . 4.890 3.227 1.929 4.037 . 0 0 "[ . 1 . 2]" 2
1220 1 32 LEU H 1 32 LEU QD . . 4.220 3.544 3.165 3.859 . 0 0 "[ . 1 . 2]" 2
1221 1 32 LEU HA 1 32 LEU QD . . 2.930 2.155 1.956 2.412 . 0 0 "[ . 1 . 2]" 2
1222 1 32 LEU QD 1 36 ILE HB . . 5.270 2.437 1.981 3.007 . 0 0 "[ . 1 . 2]" 2
1223 1 32 LEU QD 1 36 ILE MG . . 3.590 1.997 1.881 2.134 . 0 0 "[ . 1 . 2]" 2
1224 1 32 LEU QD 1 45 TRP HD1 . . 5.210 4.669 4.060 5.127 . 0 0 "[ . 1 . 2]" 2
1225 1 32 LEU QD 1 45 TRP HE1 . . 3.710 3.209 2.557 3.701 . 0 0 "[ . 1 . 2]" 2
1226 1 32 LEU QD 1 45 TRP HZ2 . . 3.400 2.736 2.305 3.099 . 0 0 "[ . 1 . 2]" 2
1227 1 32 LEU QD 1 45 TRP HH2 . . 4.290 4.054 3.579 4.302 0.012 10 0 "[ . 1 . 2]" 2
1228 1 32 LEU QD 1 51 THR H . . 4.200 2.385 2.018 2.541 . 0 0 "[ . 1 . 2]" 2
1229 1 32 LEU QD 1 51 THR MG . . 4.690 2.162 1.922 2.494 . 0 0 "[ . 1 . 2]" 2
1230 1 33 CYS H 1 33 CYS QB . . 3.500 2.284 2.150 2.554 . 0 0 "[ . 1 . 2]" 2
1231 1 33 CYS QB 1 34 GLY H . . 4.110 2.273 1.934 3.235 . 0 0 "[ . 1 . 2]" 2
1232 1 33 CYS QB 1 35 ASN QD . . 4.520 3.286 2.278 4.446 . 0 0 "[ . 1 . 2]" 2
1233 1 33 CYS QB 1 36 ILE QG . . 4.760 3.449 2.175 4.760 0.000 9 0 "[ . 1 . 2]" 2
1234 1 34 GLY H 1 35 ASN QD . . 4.160 3.749 2.645 4.198 0.038 9 0 "[ . 1 . 2]" 2
1235 1 35 ASN QB 1 36 ILE QG . . 4.760 3.774 2.766 4.664 . 0 0 "[ . 1 . 2]" 2
1236 1 36 ILE H 1 36 ILE QG . . 4.020 2.904 2.163 3.543 . 0 0 "[ . 1 . 2]" 2
1237 1 36 ILE HA 1 36 ILE QG . . 3.650 2.430 2.303 2.973 . 0 0 "[ . 1 . 2]" 2
1238 1 37 ASP HB3 1 38 PRO QD . . 4.700 2.800 2.690 2.950 . 0 0 "[ . 1 . 2]" 2
1239 1 38 PRO QG 1 39 SER H . . 4.250 2.491 2.107 2.778 . 0 0 "[ . 1 . 2]" 2
1240 1 38 PRO QD 1 39 SER H . . 4.010 2.627 2.602 2.687 . 0 0 "[ . 1 . 2]" 2
1241 1 38 PRO QD 1 40 VAL MG2 . . 5.330 4.376 4.129 4.532 . 0 0 "[ . 1 . 2]" 2
1242 1 38 PRO QD 1 41 LEU MD1 . . 4.850 3.760 3.364 4.464 . 0 0 "[ . 1 . 2]" 2
1243 1 39 SER HA 1 39 SER QB . . 2.600 2.381 2.163 2.490 . 0 0 "[ . 1 . 2]" 2
1244 1 39 SER QB 1 40 VAL H . . 4.320 2.824 2.320 3.423 . 0 0 "[ . 1 . 2]" 2
1245 1 39 SER QB 1 40 VAL MG1 . . 4.170 3.141 2.874 3.943 . 0 0 "[ . 1 . 2]" 2
1246 1 39 SER QB 1 40 VAL MG2 . . 5.340 3.940 3.647 4.549 . 0 0 "[ . 1 . 2]" 2
1247 1 43 ASP H 1 43 ASP QB . . 3.450 2.337 2.167 2.693 . 0 0 "[ . 1 . 2]" 2
1248 1 43 ASP QB 1 44 ASN H . . 3.900 2.953 2.871 3.538 . 0 0 "[ . 1 . 2]" 2
1249 1 44 ASN H 1 44 ASN QB . . 3.370 2.688 2.310 3.002 . 0 0 "[ . 1 . 2]" 2
1250 1 44 ASN QB 1 44 ASN HD22 . . 3.380 3.227 3.213 3.247 . 0 0 "[ . 1 . 2]" 2
1251 1 50 ASN HD21 1 52 ASP QB . . 3.890 2.398 2.313 2.480 . 0 0 "[ . 1 . 2]" 2
1252 1 50 ASN HD22 1 52 ASP QB . . 3.700 2.344 2.238 2.419 . 0 0 "[ . 1 . 2]" 2
1253 1 51 THR H 1 52 ASP QB . . 4.200 4.029 3.988 4.073 . 0 0 "[ . 1 . 2]" 2
1254 1 52 ASP H 1 52 ASP QB . . 2.740 2.334 2.326 2.342 . 0 0 "[ . 1 . 2]" 2
1255 1 52 ASP QB 1 55 TYR H . . 3.860 2.895 2.830 2.978 . 0 0 "[ . 1 . 2]" 2
1256 1 52 ASP QB 1 55 TYR HB2 . . 4.110 2.972 2.940 2.990 . 0 0 "[ . 1 . 2]" 2
1257 1 52 ASP QB 1 55 TYR QD . . 4.020 3.084 2.835 3.305 . 0 0 "[ . 1 . 2]" 2
1258 1 55 TYR QE 1 63 GLU QB . . 5.340 3.792 2.660 5.089 . 0 0 "[ . 1 . 2]" 2
1259 1 55 TYR QE 1 63 GLU QG . . 3.920 3.598 2.797 3.905 . 0 0 "[ . 1 . 2]" 2
1260 1 60 ILE MG 1 61 PRO QB . . 4.280 4.094 4.068 4.119 . 0 0 "[ . 1 . 2]" 2
1261 1 62 GLU HA 1 63 GLU QB . . 4.590 4.261 4.063 4.501 . 0 0 "[ . 1 . 2]" 2
1262 1 63 GLU H 1 63 GLU QG . . 4.450 3.420 2.041 4.098 . 0 0 "[ . 1 . 2]" 2
1263 1 63 GLU HA 1 63 GLU QG . . 3.400 2.535 2.147 3.330 . 0 0 "[ . 1 . 2]" 2
1264 1 63 GLU QG 1 64 THR H . . 3.830 3.343 1.929 3.822 . 0 0 "[ . 1 . 2]" 2
1265 1 65 TRP QB 1 65 TRP HZ3 . . 4.800 4.686 4.634 4.791 . 0 0 "[ . 1 . 2]" 2
1266 1 68 LEU H 1 68 LEU QB . . 3.580 2.534 2.219 3.358 . 0 0 "[ . 1 . 2]" 2
1267 1 68 LEU H 1 68 LEU QD . . 4.400 3.408 1.917 3.942 . 0 0 "[ . 1 . 2]" 2
1268 1 68 LEU HA 1 68 LEU QD . . 3.520 2.596 2.092 3.416 . 0 0 "[ . 1 . 2]" 2
1269 1 68 LEU QB 1 69 GLU H . . 4.290 3.206 1.949 4.025 . 0 0 "[ . 1 . 2]" 2
1270 1 68 LEU QB 1 69 GLU HA . . 5.340 4.607 4.232 4.934 . 0 0 "[ . 1 . 2]" 2
1271 1 69 GLU H 1 69 GLU QB . . 3.550 2.438 2.210 3.084 . 0 0 "[ . 1 . 2]" 2
1272 1 69 GLU H 1 69 GLU QG . . 4.600 3.134 2.058 4.222 . 0 0 "[ . 1 . 2]" 2
1273 1 69 GLU HA 1 69 GLU QG . . 3.640 2.681 2.199 3.440 . 0 0 "[ . 1 . 2]" 2
stop_
save_