NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508882 |
2yre   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yre
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 61
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 32.436
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 14 HIS 0.443 0.024 3 0 "[ . 1 . 2]"
1 16 HIS 0.295 0.016 16 0 "[ . 1 . 2]"
1 17 CYS 0.323 0.019 16 0 "[ . 1 . 2]"
1 20 CYS 0.066 0.009 8 0 "[ . 1 . 2]"
1 25 CYS 0.190 0.016 16 0 "[ . 1 . 2]"
1 35 CYS 0.128 0.012 10 0 "[ . 1 . 2]"
1 40 CYS 0.018 0.008 10 0 "[ . 1 . 2]"
1 44 CYS 0.026 0.008 10 0 "[ . 1 . 2]"
1 49 HIS 0.273 0.012 10 0 "[ . 1 . 2]"
1 51 CYS 0.182 0.017 20 0 "[ . 1 . 2]"
1 56 HIS 0.020 0.003 7 0 "[ . 1 . 2]"
1 60 CYS 0.071 0.008 17 0 "[ . 1 . 2]"
1 67 CYS 0.054 0.008 1 0 "[ . 1 . 2]"
1 74 CYS 0.099 0.008 1 0 "[ . 1 . 2]"
1 86 HIS 0.077 0.012 3 0 "[ . 1 . 2]"
1 90 CYS 0.008 0.003 3 0 "[ . 1 . 2]"
2 1 ZN 0.367 0.024 3 0 "[ . 1 . 2]"
3 1 ZN 0.380 0.012 10 0 "[ . 1 . 2]"
4 1 ZN 0.094 0.008 17 0 "[ . 1 . 2]"
5 1 ZN 0.129 0.012 3 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 14 HIS ND1 2 1 ZN ZN . . 2.050 2.052 2.023 2.067 0.017 6 0 "[ . 1 . 2]" 1
2 1 17 CYS SG 2 1 ZN ZN . 2.250 2.350 2.252 2.244 2.329 0.006 18 0 "[ . 1 . 2]" 1
3 1 35 CYS SG 2 1 ZN ZN . 2.250 2.350 2.304 2.246 2.354 0.004 10 0 "[ . 1 . 2]" 1
4 1 51 CYS SG 2 1 ZN ZN . 2.250 2.350 2.268 2.245 2.344 0.005 4 0 "[ . 1 . 2]" 1
5 1 17 CYS CB 2 1 ZN ZN . 3.100 3.400 3.329 3.221 3.401 0.001 14 0 "[ . 1 . 2]" 1
6 1 35 CYS CB 2 1 ZN ZN . 3.100 3.400 3.320 3.098 3.407 0.007 5 0 "[ . 1 . 2]" 1
7 1 51 CYS CB 2 1 ZN ZN . 3.100 3.400 3.194 3.097 3.352 0.003 5 0 "[ . 1 . 2]" 1
8 1 14 HIS CD2 2 1 ZN ZN . 4.100 . 4.186 4.115 4.231 . 0 0 "[ . 1 . 2]" 1
9 1 14 HIS NE2 2 1 ZN ZN . 4.100 . 4.097 4.076 4.130 0.024 3 0 "[ . 1 . 2]" 1
10 1 14 HIS ND1 1 17 CYS SG . 3.500 3.700 3.510 3.481 3.682 0.019 16 0 "[ . 1 . 2]" 1
11 1 14 HIS ND1 1 35 CYS SG . 3.500 3.700 3.542 3.498 3.628 0.002 4 0 "[ . 1 . 2]" 1
12 1 14 HIS ND1 1 51 CYS SG . 3.500 3.700 3.528 3.483 3.615 0.017 20 0 "[ . 1 . 2]" 1
13 1 17 CYS SG 1 35 CYS SG . 3.650 3.850 3.661 3.639 3.755 0.011 10 0 "[ . 1 . 2]" 1
14 1 17 CYS SG 1 51 CYS SG . 3.650 3.850 3.649 3.638 3.682 0.012 8 0 "[ . 1 . 2]" 1
15 1 35 CYS SG 1 51 CYS SG . 3.650 3.850 3.851 3.836 3.862 0.012 10 0 "[ . 1 . 2]" 1
16 1 16 HIS NE2 3 1 ZN ZN . . 2.050 2.054 2.038 2.061 0.011 15 0 "[ . 1 . 2]" 1
17 1 20 CYS SG 3 1 ZN ZN . 2.250 2.350 2.334 2.303 2.352 0.002 15 0 "[ . 1 . 2]" 1
18 1 25 CYS SG 3 1 ZN ZN . 2.250 2.350 2.328 2.274 2.352 0.002 3 0 "[ . 1 . 2]" 1
19 1 49 HIS NE2 3 1 ZN ZN . . 2.050 2.055 2.048 2.062 0.012 10 0 "[ . 1 . 2]" 1
20 1 20 CYS CB 3 1 ZN ZN . 3.100 3.400 3.294 3.096 3.400 0.004 10 0 "[ . 1 . 2]" 1
21 1 25 CYS CB 3 1 ZN ZN . 3.100 3.400 3.313 3.228 3.402 0.002 5 0 "[ . 1 . 2]" 1
22 1 16 HIS ND1 3 1 ZN ZN . 4.100 . 4.125 4.092 4.185 0.008 15 0 "[ . 1 . 2]" 1
23 1 16 HIS CG 3 1 ZN ZN . 4.100 . 4.104 4.092 4.135 0.008 18 0 "[ . 1 . 2]" 1
24 1 49 HIS ND1 3 1 ZN ZN . 4.100 . 4.097 4.088 4.114 0.012 10 0 "[ . 1 . 2]" 1
25 1 49 HIS CG 3 1 ZN ZN . 4.100 . 4.226 4.207 4.241 . 0 0 "[ . 1 . 2]" 1
26 1 16 HIS NE2 1 20 CYS SG . 3.500 3.700 3.537 3.496 3.614 0.004 8 0 "[ . 1 . 2]" 1
27 1 16 HIS NE2 1 25 CYS SG . 3.500 3.700 3.496 3.484 3.524 0.016 16 0 "[ . 1 . 2]" 1
28 1 16 HIS NE2 1 49 HIS NE2 . 3.160 3.360 3.279 3.160 3.358 . 0 0 "[ . 1 . 2]" 1
29 1 20 CYS SG 1 25 CYS SG . 3.650 3.850 3.781 3.654 3.859 0.009 8 0 "[ . 1 . 2]" 1
30 1 20 CYS SG 1 49 HIS NE2 . 3.500 3.700 3.675 3.526 3.708 0.008 14 0 "[ . 1 . 2]" 1
31 1 25 CYS SG 1 49 HIS NE2 . 3.500 3.700 3.701 3.678 3.709 0.009 5 0 "[ . 1 . 2]" 1
32 1 40 CYS SG 4 1 ZN ZN . 2.250 2.350 2.304 2.256 2.352 0.002 16 0 "[ . 1 . 2]" 1
33 1 44 CYS SG 4 1 ZN ZN . 2.250 2.350 2.335 2.288 2.350 0.000 7 0 "[ . 1 . 2]" 1
34 1 56 HIS NE2 4 1 ZN ZN . . 2.050 2.034 2.000 2.053 0.003 7 0 "[ . 1 . 2]" 1
35 1 60 CYS SG 4 1 ZN ZN . 2.250 2.350 2.343 2.278 2.358 0.008 17 0 "[ . 1 . 2]" 1
36 1 40 CYS CB 4 1 ZN ZN . 3.100 3.400 3.191 3.100 3.355 0.000 19 0 "[ . 1 . 2]" 1
37 1 44 CYS CB 4 1 ZN ZN . 3.100 3.400 3.107 3.095 3.179 0.005 12 0 "[ . 1 . 2]" 1
38 1 60 CYS CB 4 1 ZN ZN . 3.100 3.400 3.121 3.095 3.260 0.005 15 0 "[ . 1 . 2]" 1
39 1 56 HIS ND1 4 1 ZN ZN . 4.100 . 4.137 4.101 4.176 . 0 0 "[ . 1 . 2]" 1
40 1 56 HIS CG 4 1 ZN ZN . 4.100 . 4.150 4.101 4.202 . 0 0 "[ . 1 . 2]" 1
41 1 40 CYS SG 1 44 CYS SG . 3.650 3.850 3.682 3.642 3.761 0.008 10 0 "[ . 1 . 2]" 1
42 1 40 CYS SG 1 56 HIS NE2 . 3.500 3.700 3.659 3.531 3.702 0.002 10 0 "[ . 1 . 2]" 1
43 1 40 CYS SG 1 60 CYS SG . 3.650 3.850 3.688 3.648 3.768 0.002 9 0 "[ . 1 . 2]" 1
44 1 44 CYS SG 1 56 HIS NE2 . 3.500 3.700 3.676 3.562 3.700 . 0 0 "[ . 1 . 2]" 1
45 1 44 CYS SG 1 60 CYS SG . 3.650 3.850 3.695 3.648 3.849 0.002 7 0 "[ . 1 . 2]" 1
46 1 56 HIS NE2 1 60 CYS SG . 3.500 3.700 3.628 3.503 3.701 0.001 13 0 "[ . 1 . 2]" 1
47 1 67 CYS SG 5 1 ZN ZN . 2.250 2.350 2.309 2.250 2.351 0.001 7 0 "[ . 1 . 2]" 1
48 1 74 CYS SG 5 1 ZN ZN . 2.250 2.350 2.259 2.243 2.322 0.007 3 0 "[ . 1 . 2]" 1
49 1 86 HIS NE2 5 1 ZN ZN . . 2.050 2.050 2.036 2.062 0.012 3 0 "[ . 1 . 2]" 1
50 1 90 CYS SG 5 1 ZN ZN . 2.250 2.350 2.320 2.248 2.352 0.002 3 0 "[ . 1 . 2]" 1
51 1 67 CYS CB 5 1 ZN ZN . 3.100 3.400 3.146 3.097 3.305 0.003 6 0 "[ . 1 . 2]" 1
52 1 74 CYS CB 5 1 ZN ZN . 3.100 3.400 3.390 3.305 3.406 0.006 12 0 "[ . 1 . 2]" 1
53 1 90 CYS CB 5 1 ZN ZN . 3.100 3.400 3.302 3.203 3.391 . 0 0 "[ . 1 . 2]" 1
54 1 86 HIS ND1 5 1 ZN ZN . 4.100 . 4.118 4.095 4.159 0.005 15 0 "[ . 1 . 2]" 1
55 1 86 HIS CG 5 1 ZN ZN . 4.100 . 4.124 4.091 4.180 0.009 3 0 "[ . 1 . 2]" 1
56 1 67 CYS SG 1 74 CYS SG . 3.650 3.850 3.844 3.800 3.858 0.008 1 0 "[ . 1 . 2]" 1
57 1 67 CYS SG 1 86 HIS NE2 . 3.500 3.700 3.535 3.495 3.644 0.005 3 0 "[ . 1 . 2]" 1
58 1 67 CYS SG 1 90 CYS SG . 3.650 3.850 3.687 3.651 3.798 . 0 0 "[ . 1 . 2]" 1
59 1 74 CYS SG 1 86 HIS NE2 . 3.500 3.700 3.528 3.499 3.641 0.001 12 0 "[ . 1 . 2]" 1
60 1 74 CYS SG 1 90 CYS SG . 3.650 3.850 3.781 3.654 3.847 . 0 0 "[ . 1 . 2]" 1
61 1 86 HIS NE2 1 90 CYS SG . 3.500 3.700 3.508 3.497 3.570 0.003 3 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 4
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 656.250
_Distance_constraint_stats_list.Viol_max 1.555
_Distance_constraint_stats_list.Viol_rms 0.3578
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4102
_Distance_constraint_stats_list.Viol_average_violations_only 0.5292
_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 24 ARG 17.986 1.555 5 18 "[ *-*+************ **]"
1 47 VAL 17.986 1.555 5 18 "[ *-*+************ **]"
1 56 HIS 0.041 0.037 11 0 "[ . 1 . 2]"
1 60 CYS 0.041 0.037 11 0 "[ . 1 . 2]"
1 75 PRO 7.840 0.508 12 1 "[ . 1 + . 2]"
1 76 PHE 7.840 0.508 12 1 "[ . 1 + . 2]"
1 87 LEU 6.945 0.389 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 ARG H 1 47 VAL HB . . 4.000 4.899 4.425 5.555 1.555 5 18 "[ *-*+************ **]" 2
2 1 75 PRO HA 1 76 PHE H . . 3.000 3.392 3.285 3.508 0.508 12 1 "[ . 1 + . 2]" 2
3 1 87 LEU HA 1 87 LEU MD1 . . 3.500 3.847 3.821 3.889 0.389 6 0 "[ . 1 . 2]" 2
4 1 56 HIS HA 1 60 CYS H . . 4.000 3.837 3.657 4.037 0.037 11 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1516
_Distance_constraint_stats_list.Viol_count 734
_Distance_constraint_stats_list.Viol_total 360.869
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.148 0.041 7 0 "[ . 1 . 2]"
1 12 LEU 0.804 0.111 11 0 "[ . 1 . 2]"
1 13 GLN 0.294 0.077 15 0 "[ . 1 . 2]"
1 14 HIS 0.639 0.113 9 0 "[ . 1 . 2]"
1 15 SER 0.545 0.086 10 0 "[ . 1 . 2]"
1 16 HIS 0.648 0.081 13 0 "[ . 1 . 2]"
1 17 CYS 0.307 0.154 15 0 "[ . 1 . 2]"
1 18 VAL 1.167 0.154 15 0 "[ . 1 . 2]"
1 19 ASN 0.156 0.051 8 0 "[ . 1 . 2]"
1 20 CYS 0.857 0.088 5 0 "[ . 1 . 2]"
1 21 VAL 0.133 0.022 15 0 "[ . 1 . 2]"
1 22 SER 0.142 0.022 15 0 "[ . 1 . 2]"
1 23 ARG 0.172 0.024 16 0 "[ . 1 . 2]"
1 24 ARG 0.034 0.019 15 0 "[ . 1 . 2]"
1 25 CYS 0.008 0.008 9 0 "[ . 1 . 2]"
1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.688 0.072 11 0 "[ . 1 . 2]"
1 28 ARG 0.264 0.058 1 0 "[ . 1 . 2]"
1 29 PRO 0.763 0.072 11 0 "[ . 1 . 2]"
1 30 GLU 1.267 0.183 17 0 "[ . 1 . 2]"
1 31 PRO 0.640 0.103 6 0 "[ . 1 . 2]"
1 32 GLY 0.033 0.021 15 0 "[ . 1 . 2]"
1 33 ILE 3.550 0.183 17 0 "[ . 1 . 2]"
1 34 SER 0.464 0.064 13 0 "[ . 1 . 2]"
1 35 CYS 0.028 0.021 11 0 "[ . 1 . 2]"
1 36 ASP 0.216 0.048 9 0 "[ . 1 . 2]"
1 37 LEU 0.458 0.042 17 0 "[ . 1 . 2]"
1 38 ILE 0.448 0.117 5 0 "[ . 1 . 2]"
1 39 GLY 0.003 0.003 11 0 "[ . 1 . 2]"
1 40 CYS 0.066 0.021 10 0 "[ . 1 . 2]"
1 41 PRO 0.030 0.030 10 0 "[ . 1 . 2]"
1 42 LEU 0.077 0.030 10 0 "[ . 1 . 2]"
1 43 VAL 0.141 0.012 10 0 "[ . 1 . 2]"
1 44 CYS 0.037 0.015 18 0 "[ . 1 . 2]"
1 45 GLY 0.071 0.021 10 0 "[ . 1 . 2]"
1 46 ALA 0.012 0.005 6 0 "[ . 1 . 2]"
1 47 VAL 0.076 0.011 1 0 "[ . 1 . 2]"
1 48 PHE 0.098 0.046 9 0 "[ . 1 . 2]"
1 49 HIS 0.299 0.023 20 0 "[ . 1 . 2]"
1 50 SER 0.317 0.117 5 0 "[ . 1 . 2]"
1 51 CYS 0.416 0.052 9 0 "[ . 1 . 2]"
1 52 LYS 0.416 0.143 19 0 "[ . 1 . 2]"
1 53 ALA 0.417 0.143 19 0 "[ . 1 . 2]"
1 54 ASP 0.309 0.069 18 0 "[ . 1 . 2]"
1 55 GLU 1.166 0.290 19 0 "[ . 1 . 2]"
1 56 HIS 0.317 0.107 20 0 "[ . 1 . 2]"
1 57 ARG 0.844 0.140 18 0 "[ . 1 . 2]"
1 58 LEU 0.415 0.140 18 0 "[ . 1 . 2]"
1 59 LEU 0.409 0.087 18 0 "[ . 1 . 2]"
1 60 CYS 0.114 0.038 6 0 "[ . 1 . 2]"
1 61 PRO 0.140 0.052 11 0 "[ . 1 . 2]"
1 62 PHE 0.177 0.052 11 0 "[ . 1 . 2]"
1 63 GLU 0.203 0.038 11 0 "[ . 1 . 2]"
1 64 ARG 0.111 0.042 11 0 "[ . 1 . 2]"
1 65 VAL 1.470 0.112 16 0 "[ . 1 . 2]"
1 66 PRO 1.355 0.056 11 0 "[ . 1 . 2]"
1 67 CYS 0.314 0.037 17 0 "[ . 1 . 2]"
1 68 LEU 0.018 0.018 6 0 "[ . 1 . 2]"
1 69 ASN 0.028 0.012 3 0 "[ . 1 . 2]"
1 70 SER 0.200 0.045 12 0 "[ . 1 . 2]"
1 71 ASP 0.007 0.007 5 0 "[ . 1 . 2]"
1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.007 0.007 5 0 "[ . 1 . 2]"
1 74 CYS 0.058 0.015 4 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.029 0.012 6 0 "[ . 1 . 2]"
1 77 THR 0.198 0.028 15 0 "[ . 1 . 2]"
1 78 MET 0.115 0.028 15 0 "[ . 1 . 2]"
1 79 ALA 0.329 0.121 6 0 "[ . 1 . 2]"
1 80 ARG 0.378 0.112 16 0 "[ . 1 . 2]"
1 81 ASN 0.099 0.036 9 0 "[ . 1 . 2]"
1 82 LYS 0.922 0.077 14 0 "[ . 1 . 2]"
1 83 VAL 0.661 0.121 6 0 "[ . 1 . 2]"
1 84 ALA 0.008 0.008 6 0 "[ . 1 . 2]"
1 85 GLU 0.977 0.079 20 0 "[ . 1 . 2]"
1 86 HIS 0.050 0.022 1 0 "[ . 1 . 2]"
1 87 LEU 0.076 0.014 7 0 "[ . 1 . 2]"
1 88 GLU 1.152 0.279 18 0 "[ . 1 . 2]"
1 89 MET 0.120 0.036 1 0 "[ . 1 . 2]"
1 90 CYS 0.166 0.036 1 0 "[ . 1 . 2]"
1 91 PRO 0.017 0.007 3 0 "[ . 1 . 2]"
1 92 ALA 0.063 0.015 1 0 "[ . 1 . 2]"
1 93 SER 0.300 0.041 1 0 "[ . 1 . 2]"
1 94 VAL 0.237 0.041 1 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 46 ALA H 1 56 HIS HE1 . . 5.500 5.392 4.925 5.500 . 6 0 "[ . 1 . 2]" 3
2 1 40 CYS H 1 46 ALA H . . 4.540 3.588 3.532 3.643 . 0 0 "[ . 1 . 2]" 3
3 1 44 CYS H 1 46 ALA H . . 4.570 4.364 4.221 4.464 . 0 0 "[ . 1 . 2]" 3
4 1 40 CYS HB3 1 46 ALA H . . 4.550 3.575 3.099 3.841 . 0 0 "[ . 1 . 2]" 3
5 1 30 GLU H 1 34 SER HG . . 4.400 3.520 2.378 4.152 . 0 0 "[ . 1 . 2]" 3
6 1 30 GLU H 1 31 PRO HD3 . . 5.270 5.052 4.907 5.112 . 0 0 "[ . 1 . 2]" 3
7 1 30 GLU H 1 30 GLU QB . . 3.780 2.256 2.142 2.398 . 0 0 "[ . 1 . 2]" 3
8 1 60 CYS H 1 60 CYS HB2 . . 4.150 2.408 2.281 2.456 . 0 0 "[ . 1 . 2]" 3
9 1 60 CYS H 1 60 CYS HB3 . . 4.200 2.775 2.710 2.942 . 0 0 "[ . 1 . 2]" 3
10 1 59 LEU HB2 1 60 CYS H . . 4.670 2.437 2.270 2.716 . 0 0 "[ . 1 . 2]" 3
11 1 90 CYS HA 1 92 ALA H . . 4.760 4.198 3.923 4.375 . 0 0 "[ . 1 . 2]" 3
12 1 91 PRO HG2 1 92 ALA H . . 4.050 2.037 1.899 2.234 . 0 0 "[ . 1 . 2]" 3
13 1 90 CYS HB2 1 92 ALA H . . 5.420 4.872 4.632 5.122 . 0 0 "[ . 1 . 2]" 3
14 1 63 GLU HB3 1 64 ARG H . . 4.850 3.913 3.724 4.143 . 0 0 "[ . 1 . 2]" 3
15 1 63 GLU HB2 1 64 ARG H . . 4.850 4.206 2.926 4.358 . 0 0 "[ . 1 . 2]" 3
16 1 64 ARG H 1 64 ARG HB2 . . 3.990 2.618 2.435 2.824 . 0 0 "[ . 1 . 2]" 3
17 1 25 CYS H 1 25 CYS HB3 . . 3.510 2.228 2.171 2.496 . 0 0 "[ . 1 . 2]" 3
18 1 53 ALA H 1 54 ASP H . . 3.750 3.109 2.577 3.295 . 0 0 "[ . 1 . 2]" 3
19 1 52 LYS H 1 53 ALA H . . 3.250 2.621 2.487 2.753 . 0 0 "[ . 1 . 2]" 3
20 1 53 ALA H 1 55 GLU H . . 4.650 4.410 4.107 4.604 . 0 0 "[ . 1 . 2]" 3
21 1 48 PHE QD 1 53 ALA H . . 4.630 2.651 2.380 3.066 . 0 0 "[ . 1 . 2]" 3
22 1 48 PHE QE 1 53 ALA H . . 4.460 4.077 3.868 4.311 . 0 0 "[ . 1 . 2]" 3
23 1 50 SER HA 1 53 ALA H . . 4.570 3.571 3.393 3.739 . 0 0 "[ . 1 . 2]" 3
24 1 52 LYS HB3 1 53 ALA H . . 4.690 3.757 3.540 4.064 . 0 0 "[ . 1 . 2]" 3
25 1 52 LYS HB2 1 53 ALA H . . 4.690 2.843 2.651 3.373 . 0 0 "[ . 1 . 2]" 3
26 1 73 GLY H 1 74 CYS H . . 3.430 2.048 1.890 2.219 . 0 0 "[ . 1 . 2]" 3
27 1 72 PHE H 1 74 CYS H . . 4.730 4.406 3.935 4.681 . 0 0 "[ . 1 . 2]" 3
28 1 70 SER HA 1 74 CYS H . . 3.530 2.553 2.317 2.749 . 0 0 "[ . 1 . 2]" 3
29 1 74 CYS H 1 74 CYS HB2 . . 3.610 2.479 2.375 2.612 . 0 0 "[ . 1 . 2]" 3
30 1 74 CYS H 1 74 CYS HB3 . . 3.610 2.805 2.657 2.874 . 0 0 "[ . 1 . 2]" 3
31 1 64 ARG HA 1 80 ARG H . . 4.880 4.756 4.427 4.885 0.005 2 0 "[ . 1 . 2]" 3
32 1 18 VAL H 1 20 CYS H . . 4.420 4.423 4.016 4.508 0.088 5 0 "[ . 1 . 2]" 3
33 1 19 ASN H 1 20 CYS H . . 2.920 2.719 2.032 2.894 . 0 0 "[ . 1 . 2]" 3
34 1 18 VAL HA 1 20 CYS H . . 4.190 4.053 3.956 4.226 0.036 10 0 "[ . 1 . 2]" 3
35 1 17 CYS HA 1 20 CYS H . . 3.820 3.518 2.945 3.645 . 0 0 "[ . 1 . 2]" 3
36 1 20 CYS H 1 20 CYS HB3 . . 3.090 2.664 2.469 2.790 . 0 0 "[ . 1 . 2]" 3
37 1 20 CYS H 1 20 CYS HB2 . . 3.210 3.124 2.702 3.259 0.049 2 0 "[ . 1 . 2]" 3
38 1 11 GLU HA 1 12 LEU H . . 2.590 2.205 2.142 2.391 . 0 0 "[ . 1 . 2]" 3
39 1 12 LEU H 1 13 GLN HA . . 5.500 5.342 5.034 5.520 0.020 9 0 "[ . 1 . 2]" 3
40 1 11 GLU HG2 1 12 LEU H . . 4.500 3.265 2.130 4.489 . 0 0 "[ . 1 . 2]" 3
41 1 11 GLU HB3 1 12 LEU H . . 4.310 4.000 3.401 4.313 0.003 6 0 "[ . 1 . 2]" 3
42 1 12 LEU H 1 12 LEU MD1 . . 4.230 3.880 3.289 4.179 . 0 0 "[ . 1 . 2]" 3
43 1 12 LEU H 1 12 LEU MD2 . . 4.230 3.393 1.828 4.116 . 0 0 "[ . 1 . 2]" 3
44 1 49 HIS H 1 52 LYS H . . 4.910 4.024 3.860 4.180 . 0 0 "[ . 1 . 2]" 3
45 1 50 SER H 1 52 LYS H . . 5.440 4.400 4.206 4.502 . 0 0 "[ . 1 . 2]" 3
46 1 52 LYS H 1 52 LYS HB3 . . 3.880 3.582 3.568 3.599 . 0 0 "[ . 1 . 2]" 3
47 1 52 LYS H 1 52 LYS HB2 . . 3.880 2.430 2.323 2.530 . 0 0 "[ . 1 . 2]" 3
48 1 52 LYS H 1 52 LYS HG3 . . 3.990 3.589 3.468 3.772 . 0 0 "[ . 1 . 2]" 3
49 1 52 LYS H 1 52 LYS HG2 . . 3.990 2.317 2.100 2.600 . 0 0 "[ . 1 . 2]" 3
50 1 52 LYS H 1 52 LYS QD . . 3.890 3.734 3.503 3.904 0.014 15 0 "[ . 1 . 2]" 3
51 1 78 MET HB3 1 79 ALA H . . 4.280 3.467 3.356 3.567 . 0 0 "[ . 1 . 2]" 3
52 1 36 ASP HB3 1 37 LEU H . . 3.710 2.797 2.559 3.115 . 0 0 "[ . 1 . 2]" 3
53 1 36 ASP HB2 1 37 LEU H . . 4.020 3.593 3.341 3.803 . 0 0 "[ . 1 . 2]" 3
54 1 37 LEU H 1 37 LEU HB2 . . 3.410 2.247 2.160 2.351 . 0 0 "[ . 1 . 2]" 3
55 1 37 LEU H 1 37 LEU MD2 . . 4.470 4.244 4.136 4.366 . 0 0 "[ . 1 . 2]" 3
56 1 13 GLN H 1 14 HIS H . . 5.050 4.567 4.460 4.644 . 0 0 "[ . 1 . 2]" 3
57 1 37 LEU H 1 49 HIS HE1 . . 5.500 5.120 4.447 5.499 . 0 0 "[ . 1 . 2]" 3
58 1 14 HIS H 1 14 HIS HD2 . . 4.580 4.410 3.334 4.622 0.042 13 0 "[ . 1 . 2]" 3
59 1 14 HIS H 1 14 HIS HB2 . . 3.990 2.481 2.328 2.578 . 0 0 "[ . 1 . 2]" 3
60 1 14 HIS H 1 14 HIS HB3 . . 3.990 3.673 3.587 3.742 . 0 0 "[ . 1 . 2]" 3
61 1 14 HIS H 1 17 CYS HB2 . . 4.430 3.340 2.739 4.177 . 0 0 "[ . 1 . 2]" 3
62 1 13 GLN HG3 1 14 HIS H . . 4.880 3.747 2.984 4.837 . 0 0 "[ . 1 . 2]" 3
63 1 13 GLN HB2 1 14 HIS H . . 4.050 2.743 2.138 3.752 . 0 0 "[ . 1 . 2]" 3
64 1 63 GLU H 1 63 GLU QG . . 4.170 3.902 2.849 4.088 . 0 0 "[ . 1 . 2]" 3
65 1 63 GLU H 1 63 GLU HB2 . . 3.890 2.319 2.169 3.546 . 0 0 "[ . 1 . 2]" 3
66 1 63 GLU H 1 63 GLU HB3 . . 3.890 2.874 2.265 3.067 . 0 0 "[ . 1 . 2]" 3
67 1 83 VAL H 1 84 ALA H . . 4.560 2.798 2.367 3.096 . 0 0 "[ . 1 . 2]" 3
68 1 82 LYS H 1 83 VAL H . . 3.420 2.099 1.819 2.872 . 0 0 "[ . 1 . 2]" 3
69 1 40 CYS H 1 45 GLY H . . 4.660 4.639 4.583 4.681 0.021 10 0 "[ . 1 . 2]" 3
70 1 39 GLY H 1 40 CYS H . . 4.820 4.601 4.566 4.636 . 0 0 "[ . 1 . 2]" 3
71 1 40 CYS H 1 44 CYS H . . 5.140 5.004 4.899 5.155 0.015 18 0 "[ . 1 . 2]" 3
72 1 82 LYS HB3 1 83 VAL H . . 4.470 3.670 2.941 4.378 . 0 0 "[ . 1 . 2]" 3
73 1 82 LYS HB2 1 83 VAL H . . 4.470 3.433 2.802 4.252 . 0 0 "[ . 1 . 2]" 3
74 1 40 CYS H 1 48 PHE HZ . . 4.680 3.640 3.407 4.443 . 0 0 "[ . 1 . 2]" 3
75 1 40 CYS H 1 48 PHE QE . . 4.340 3.386 3.017 4.055 . 0 0 "[ . 1 . 2]" 3
76 1 39 GLY HA3 1 40 CYS H . . 3.490 3.019 2.820 3.094 . 0 0 "[ . 1 . 2]" 3
77 1 40 CYS H 1 40 CYS HB3 . . 3.620 2.800 2.450 2.954 . 0 0 "[ . 1 . 2]" 3
78 1 40 CYS H 1 40 CYS HB2 . . 3.620 2.324 2.235 2.618 . 0 0 "[ . 1 . 2]" 3
79 1 40 CYS H 1 47 VAL MG2 . . 4.410 4.181 3.923 4.311 . 0 0 "[ . 1 . 2]" 3
80 1 8 MET HA 1 9 GLU H . . 3.110 2.236 2.141 2.571 . 0 0 "[ . 1 . 2]" 3
81 1 9 GLU H 1 9 GLU QG . . 3.720 2.799 2.115 3.572 . 0 0 "[ . 1 . 2]" 3
82 1 9 GLU H 1 9 GLU HB2 . . 3.920 3.251 2.329 3.914 . 0 0 "[ . 1 . 2]" 3
83 1 9 GLU H 1 9 GLU HB3 . . 3.920 3.430 2.440 3.868 . 0 0 "[ . 1 . 2]" 3
84 1 11 GLU H 1 11 GLU HB3 . . 3.480 2.610 2.230 2.801 . 0 0 "[ . 1 . 2]" 3
85 1 37 LEU HA 1 50 SER H . . 3.640 2.768 2.504 3.382 . 0 0 "[ . 1 . 2]" 3
86 1 37 LEU MD2 1 50 SER H . . 4.790 3.851 3.607 4.400 . 0 0 "[ . 1 . 2]" 3
87 1 9 GLU HA 1 10 GLU H . . 2.760 2.215 2.139 2.503 . 0 0 "[ . 1 . 2]" 3
88 1 48 PHE H 1 49 HIS H . . 4.520 4.441 4.418 4.453 . 0 0 "[ . 1 . 2]" 3
89 1 40 CYS H 1 48 PHE H . . 4.660 4.141 3.910 4.606 . 0 0 "[ . 1 . 2]" 3
90 1 48 PHE H 1 48 PHE QD . . 3.960 3.001 2.861 3.090 . 0 0 "[ . 1 . 2]" 3
91 1 47 VAL HA 1 48 PHE H . . 2.980 2.140 2.140 2.141 . 0 0 "[ . 1 . 2]" 3
92 1 39 GLY HA2 1 48 PHE H . . 4.500 3.468 3.235 3.758 . 0 0 "[ . 1 . 2]" 3
93 1 37 LEU MD1 1 48 PHE H . . 5.500 5.410 5.239 5.515 0.015 9 0 "[ . 1 . 2]" 3
94 1 27 THR H 1 27 THR HB . . 3.320 2.461 2.405 2.536 . 0 0 "[ . 1 . 2]" 3
95 1 27 THR H 1 27 THR MG . . 3.930 3.771 3.730 3.811 . 0 0 "[ . 1 . 2]" 3
96 1 33 ILE H 1 33 ILE HB . . 3.320 2.430 2.355 2.481 . 0 0 "[ . 1 . 2]" 3
97 1 33 ILE H 1 33 ILE HG13 . . 3.900 3.572 3.266 3.985 0.085 17 0 "[ . 1 . 2]" 3
98 1 33 ILE H 1 33 ILE MD . . 3.760 1.868 1.744 2.204 . 0 0 "[ . 1 . 2]" 3
99 1 32 GLY H 1 33 ILE H . . 4.450 2.389 2.252 2.670 . 0 0 "[ . 1 . 2]" 3
100 1 33 ILE H 1 34 SER H . . 3.230 2.986 2.367 3.260 0.030 6 0 "[ . 1 . 2]" 3
101 1 30 GLU HG2 1 33 ILE H . . 5.410 4.619 1.866 5.482 0.072 13 0 "[ . 1 . 2]" 3
102 1 30 GLU HG3 1 33 ILE H . . 5.500 3.963 2.930 4.969 . 0 0 "[ . 1 . 2]" 3
103 1 30 GLU QB 1 33 ILE H . . 4.090 2.623 2.398 3.480 . 0 0 "[ . 1 . 2]" 3
104 1 33 ILE H 1 33 ILE MG . . 3.790 3.744 3.709 3.775 . 0 0 "[ . 1 . 2]" 3
105 1 50 SER H 1 51 CYS H . . 3.740 2.994 2.809 3.064 . 0 0 "[ . 1 . 2]" 3
106 1 51 CYS H 1 52 LYS H . . 3.320 2.635 2.557 2.724 . 0 0 "[ . 1 . 2]" 3
107 1 51 CYS H 1 53 ALA H . . 4.400 3.979 3.812 4.116 . 0 0 "[ . 1 . 2]" 3
108 1 50 SER HB2 1 51 CYS H . . 4.090 3.809 3.593 4.142 0.052 9 0 "[ . 1 . 2]" 3
109 1 50 SER HB3 1 51 CYS H . . 4.090 3.721 2.809 3.887 . 0 0 "[ . 1 . 2]" 3
110 1 49 HIS HB3 1 51 CYS H . . 3.930 2.735 2.594 2.834 . 0 0 "[ . 1 . 2]" 3
111 1 49 HIS HB2 1 51 CYS H . . 3.930 3.895 3.707 3.953 0.023 20 0 "[ . 1 . 2]" 3
112 1 51 CYS H 1 51 CYS HB3 . . 4.090 2.435 2.369 2.573 . 0 0 "[ . 1 . 2]" 3
113 1 51 CYS H 1 53 ALA MB . . 4.650 4.577 4.492 4.656 0.006 12 0 "[ . 1 . 2]" 3
114 1 54 ASP H 1 55 GLU H . . 3.530 2.928 2.301 3.116 . 0 0 "[ . 1 . 2]" 3
115 1 55 GLU H 1 56 HIS H . . 3.400 2.472 2.201 2.693 . 0 0 "[ . 1 . 2]" 3
116 1 52 LYS HA 1 55 GLU H . . 4.020 3.403 3.125 3.574 . 0 0 "[ . 1 . 2]" 3
117 1 54 ASP HB2 1 55 GLU H . . 3.950 3.115 2.372 3.986 0.036 3 0 "[ . 1 . 2]" 3
118 1 54 ASP HB3 1 55 GLU H . . 3.950 3.306 2.376 3.979 0.029 8 0 "[ . 1 . 2]" 3
119 1 55 GLU H 1 55 GLU HG2 . . 3.900 2.942 2.322 3.876 . 0 0 "[ . 1 . 2]" 3
120 1 55 GLU H 1 55 GLU QB . . 3.090 2.427 2.238 2.602 . 0 0 "[ . 1 . 2]" 3
121 1 52 LYS QD 1 55 GLU H . . 5.150 4.765 4.331 4.981 . 0 0 "[ . 1 . 2]" 3
122 1 36 ASP H 1 37 LEU H . . 4.750 4.629 4.602 4.646 . 0 0 "[ . 1 . 2]" 3
123 1 35 CYS HB2 1 36 ASP H . . 4.040 2.353 2.031 2.658 . 0 0 "[ . 1 . 2]" 3
124 1 35 CYS HB3 1 36 ASP H . . 4.040 3.778 3.567 3.976 . 0 0 "[ . 1 . 2]" 3
125 1 91 PRO HA 1 94 VAL H . . 4.830 4.108 3.681 4.829 . 0 0 "[ . 1 . 2]" 3
126 1 92 ALA HA 1 94 VAL H . . 4.790 3.549 3.435 3.791 . 0 0 "[ . 1 . 2]" 3
127 1 93 SER HA 1 94 VAL H . . 3.390 3.222 2.782 3.431 0.041 1 0 "[ . 1 . 2]" 3
128 1 93 SER HB3 1 94 VAL H . . 4.530 3.840 3.093 4.350 . 0 0 "[ . 1 . 2]" 3
129 1 94 VAL H 1 94 VAL HB . . 4.140 3.862 3.624 3.952 . 0 0 "[ . 1 . 2]" 3
130 1 94 VAL H 1 94 VAL MG1 . . 2.960 2.231 1.883 2.504 . 0 0 "[ . 1 . 2]" 3
131 1 69 ASN H 1 70 SER H . . 4.150 3.149 2.931 3.357 . 0 0 "[ . 1 . 2]" 3
132 1 68 LEU HA 1 70 SER H . . 4.310 3.703 3.597 3.827 . 0 0 "[ . 1 . 2]" 3
133 1 12 LEU HA 1 13 GLN H . . 2.620 2.548 2.466 2.621 0.001 5 0 "[ . 1 . 2]" 3
134 1 13 GLN H 1 13 GLN HG2 . . 3.700 2.542 1.901 3.715 0.015 9 0 "[ . 1 . 2]" 3
135 1 12 LEU HG 1 13 GLN H . . 5.130 4.308 2.800 4.776 . 0 0 "[ . 1 . 2]" 3
136 1 12 LEU MD1 1 13 GLN H . . 4.220 3.591 2.372 4.231 0.011 10 0 "[ . 1 . 2]" 3
137 1 46 ALA H 1 47 VAL H . . 4.380 4.200 3.998 4.334 . 0 0 "[ . 1 . 2]" 3
138 1 47 VAL H 1 48 PHE QD . . 4.580 3.961 3.731 4.315 . 0 0 "[ . 1 . 2]" 3
139 1 47 VAL H 1 47 VAL HB . . 3.570 2.571 2.491 2.663 . 0 0 "[ . 1 . 2]" 3
140 1 47 VAL H 1 48 PHE H . . 4.760 4.330 4.261 4.392 . 0 0 "[ . 1 . 2]" 3
141 1 67 CYS H 1 67 CYS HB3 . . 3.560 2.532 2.372 2.819 . 0 0 "[ . 1 . 2]" 3
142 1 49 HIS H 1 49 HIS HD2 . . 4.080 2.914 2.717 3.154 . 0 0 "[ . 1 . 2]" 3
143 1 48 PHE QD 1 49 HIS H . . 4.250 4.031 3.782 4.260 0.010 19 0 "[ . 1 . 2]" 3
144 1 48 PHE HA 1 49 HIS H . . 3.340 2.388 2.272 2.482 . 0 0 "[ . 1 . 2]" 3
145 1 49 HIS H 1 49 HIS HB3 . . 3.930 3.554 3.531 3.576 . 0 0 "[ . 1 . 2]" 3
146 1 48 PHE HB2 1 49 HIS H . . 3.720 2.522 2.294 2.836 . 0 0 "[ . 1 . 2]" 3
147 1 48 PHE HB3 1 49 HIS H . . 3.720 3.508 3.384 3.682 . 0 0 "[ . 1 . 2]" 3
148 1 49 HIS H 1 49 HIS HB2 . . 3.930 2.299 2.242 2.369 . 0 0 "[ . 1 . 2]" 3
149 1 38 ILE H 1 50 SER H . . 4.420 3.275 3.045 3.698 . 0 0 "[ . 1 . 2]" 3
150 1 38 ILE H 1 48 PHE H . . 3.800 3.679 3.442 3.801 0.001 15 0 "[ . 1 . 2]" 3
151 1 38 ILE H 1 38 ILE HG12 . . 3.980 3.690 3.592 3.794 . 0 0 "[ . 1 . 2]" 3
152 1 37 LEU H 1 38 ILE H . . 4.610 4.554 4.489 4.619 0.009 5 0 "[ . 1 . 2]" 3
153 1 37 LEU HB2 1 38 ILE H . . 4.350 4.146 3.982 4.231 . 0 0 "[ . 1 . 2]" 3
154 1 38 ILE H 1 38 ILE HG13 . . 3.970 2.087 1.975 2.176 . 0 0 "[ . 1 . 2]" 3
155 1 82 LYS H 1 82 LYS HB3 . . 4.060 3.371 2.480 3.790 . 0 0 "[ . 1 . 2]" 3
156 1 82 LYS H 1 82 LYS HB2 . . 4.060 2.595 2.130 3.301 . 0 0 "[ . 1 . 2]" 3
157 1 67 CYS H 1 77 THR HA . . 4.090 3.125 2.958 3.294 . 0 0 "[ . 1 . 2]" 3
158 1 66 PRO HA 1 67 CYS H . . 3.290 2.221 2.207 2.259 . 0 0 "[ . 1 . 2]" 3
159 1 67 CYS H 1 67 CYS HB2 . . 3.550 2.566 2.330 2.708 . 0 0 "[ . 1 . 2]" 3
160 1 66 PRO HB2 1 67 CYS H . . 3.980 3.150 3.013 3.202 . 0 0 "[ . 1 . 2]" 3
161 1 8 MET H 1 9 GLU H . . 4.440 4.213 3.490 4.420 . 0 0 "[ . 1 . 2]" 3
162 1 16 HIS H 1 18 VAL H . . 4.840 4.172 3.757 4.839 . 0 0 "[ . 1 . 2]" 3
163 1 16 HIS H 1 33 ILE HA . . 4.160 3.305 3.016 3.547 . 0 0 "[ . 1 . 2]" 3
164 1 16 HIS H 1 16 HIS HB3 . . 3.840 2.312 2.261 2.396 . 0 0 "[ . 1 . 2]" 3
165 1 16 HIS H 1 16 HIS HB2 . . 3.840 2.835 2.691 3.018 . 0 0 "[ . 1 . 2]" 3
166 1 24 ARG H 1 25 CYS H . . 4.370 3.089 2.818 3.275 . 0 0 "[ . 1 . 2]" 3
167 1 24 ARG H 1 24 ARG HG3 . . 4.750 4.022 3.494 4.576 . 0 0 "[ . 1 . 2]" 3
168 1 83 VAL HA 1 86 HIS H . . 4.220 3.471 3.118 3.769 . 0 0 "[ . 1 . 2]" 3
169 1 86 HIS H 1 87 LEU HA . . 5.340 5.173 4.861 5.349 0.009 7 0 "[ . 1 . 2]" 3
170 1 86 HIS H 1 86 HIS HB2 . . 3.850 2.894 2.734 3.118 . 0 0 "[ . 1 . 2]" 3
171 1 86 HIS H 1 86 HIS HB3 . . 3.850 2.274 2.194 2.341 . 0 0 "[ . 1 . 2]" 3
172 1 85 GLU HG3 1 86 HIS H . . 5.500 4.441 2.899 5.352 . 0 0 "[ . 1 . 2]" 3
173 1 85 GLU HB2 1 86 HIS H . . 3.980 3.322 2.561 4.002 0.022 1 0 "[ . 1 . 2]" 3
174 1 16 HIS H 1 17 CYS H . . 3.500 2.864 2.723 3.077 . 0 0 "[ . 1 . 2]" 3
175 1 16 HIS HD2 1 17 CYS H . . 4.240 2.508 2.286 2.826 . 0 0 "[ . 1 . 2]" 3
176 1 17 CYS H 1 34 SER HA . . 4.260 2.991 2.833 3.297 . 0 0 "[ . 1 . 2]" 3
177 1 14 HIS HB2 1 17 CYS H . . 3.900 2.975 2.752 3.285 . 0 0 "[ . 1 . 2]" 3
178 1 14 HIS HB3 1 17 CYS H . . 3.900 2.597 2.388 2.837 . 0 0 "[ . 1 . 2]" 3
179 1 17 CYS H 1 20 CYS HB3 . . 4.750 4.547 4.445 4.667 . 0 0 "[ . 1 . 2]" 3
180 1 17 CYS H 1 17 CYS HB2 . . 3.870 2.730 2.517 2.825 . 0 0 "[ . 1 . 2]" 3
181 1 17 CYS H 1 17 CYS HB3 . . 3.930 3.585 3.548 3.595 . 0 0 "[ . 1 . 2]" 3
182 1 17 CYS H 1 18 VAL MG2 . . 5.500 4.088 3.804 4.869 . 0 0 "[ . 1 . 2]" 3
183 1 15 SER H 1 16 HIS H . . 4.000 2.907 2.665 3.110 . 0 0 "[ . 1 . 2]" 3
184 1 14 HIS H 1 15 SER H . . 4.550 4.307 4.114 4.553 0.003 10 0 "[ . 1 . 2]" 3
185 1 15 SER H 1 17 CYS H . . 5.240 4.880 4.203 5.040 . 0 0 "[ . 1 . 2]" 3
186 1 14 HIS HD2 1 15 SER H . . 4.670 4.076 3.660 4.573 . 0 0 "[ . 1 . 2]" 3
187 1 14 HIS HA 1 15 SER H . . 3.190 2.150 2.139 2.178 . 0 0 "[ . 1 . 2]" 3
188 1 15 SER H 1 33 ILE HA . . 3.550 3.442 2.892 3.616 0.066 8 0 "[ . 1 . 2]" 3
189 1 15 SER H 1 15 SER HB2 . . 4.040 2.430 2.160 3.551 . 0 0 "[ . 1 . 2]" 3
190 1 14 HIS HB2 1 15 SER H . . 4.800 4.367 4.137 4.498 . 0 0 "[ . 1 . 2]" 3
191 1 14 HIS HB3 1 15 SER H . . 4.800 3.479 3.127 3.729 . 0 0 "[ . 1 . 2]" 3
192 1 15 SER H 1 18 VAL MG1 . . 5.290 4.056 3.659 5.291 0.001 15 0 "[ . 1 . 2]" 3
193 1 15 SER H 1 18 VAL MG2 . . 5.290 3.773 3.587 4.171 . 0 0 "[ . 1 . 2]" 3
194 1 21 VAL H 1 22 SER H . . 3.520 2.292 1.804 2.935 . 0 0 "[ . 1 . 2]" 3
195 1 20 CYS HA 1 22 SER H . . 4.070 3.682 3.405 3.966 . 0 0 "[ . 1 . 2]" 3
196 1 22 SER H 1 22 SER HB2 . . 3.620 2.693 2.184 3.576 . 0 0 "[ . 1 . 2]" 3
197 1 21 VAL MG1 1 22 SER H . . 4.250 4.075 3.858 4.272 0.022 15 0 "[ . 1 . 2]" 3
198 1 94 VAL H 1 95 SER H . . 3.980 3.047 2.850 3.180 . 0 0 "[ . 1 . 2]" 3
199 1 95 SER H 1 95 SER QB . . 3.740 2.620 2.243 3.069 . 0 0 "[ . 1 . 2]" 3
200 1 94 VAL HB 1 95 SER H . . 4.690 4.305 3.612 4.474 . 0 0 "[ . 1 . 2]" 3
201 1 94 VAL MG2 1 95 SER H . . 4.080 3.380 1.855 3.859 . 0 0 "[ . 1 . 2]" 3
202 1 54 ASP H 1 56 HIS H . . 4.850 4.298 3.658 4.638 . 0 0 "[ . 1 . 2]" 3
203 1 54 ASP H 1 54 ASP HB2 . . 3.650 2.649 2.217 3.600 . 0 0 "[ . 1 . 2]" 3
204 1 54 ASP H 1 55 GLU QB . . 5.500 4.994 4.505 5.169 . 0 0 "[ . 1 . 2]" 3
205 1 86 HIS HB2 1 87 LEU H . . 4.440 4.035 3.903 4.199 . 0 0 "[ . 1 . 2]" 3
206 1 87 LEU H 1 90 CYS HB2 . . 4.680 4.126 3.962 4.363 . 0 0 "[ . 1 . 2]" 3
207 1 87 LEU H 1 87 LEU HB3 . . 3.790 3.561 3.508 3.591 . 0 0 "[ . 1 . 2]" 3
208 1 86 HIS H 1 87 LEU H . . 3.710 2.579 2.215 2.789 . 0 0 "[ . 1 . 2]" 3
209 1 84 ALA HA 1 87 LEU H . . 4.890 3.412 2.968 3.901 . 0 0 "[ . 1 . 2]" 3
210 1 86 HIS HB3 1 87 LEU H . . 4.440 2.725 2.513 2.994 . 0 0 "[ . 1 . 2]" 3
211 1 87 LEU H 1 87 LEU HG . . 3.550 2.545 2.200 2.836 . 0 0 "[ . 1 . 2]" 3
212 1 85 GLU H 1 87 LEU H . . 4.500 4.279 3.905 4.502 0.002 10 0 "[ . 1 . 2]" 3
213 1 85 GLU H 1 86 HIS H . . 3.590 2.824 2.519 3.037 . 0 0 "[ . 1 . 2]" 3
214 1 85 GLU H 1 85 GLU HG3 . . 4.550 3.756 2.206 4.481 . 0 0 "[ . 1 . 2]" 3
215 1 65 VAL H 1 78 MET H . . 3.990 3.189 3.011 3.412 . 0 0 "[ . 1 . 2]" 3
216 1 64 ARG HA 1 78 MET H . . 4.700 4.523 4.215 4.664 . 0 0 "[ . 1 . 2]" 3
217 1 84 ALA H 1 85 GLU H . . 4.290 3.028 2.656 3.326 . 0 0 "[ . 1 . 2]" 3
218 1 53 ALA H 1 56 HIS H . . 4.760 4.532 4.411 4.666 . 0 0 "[ . 1 . 2]" 3
219 1 53 ALA HA 1 56 HIS H . . 4.160 3.321 2.978 3.567 . 0 0 "[ . 1 . 2]" 3
220 1 56 HIS H 1 56 HIS HB3 . . 3.750 2.384 2.227 2.536 . 0 0 "[ . 1 . 2]" 3
221 1 55 GLU QB 1 56 HIS H . . 3.500 2.653 2.300 3.567 0.067 14 0 "[ . 1 . 2]" 3
222 1 56 HIS H 1 56 HIS HB2 . . 3.750 2.711 2.529 2.912 . 0 0 "[ . 1 . 2]" 3
223 1 56 HIS H 1 57 ARG QB . . 5.010 4.731 4.367 4.919 . 0 0 "[ . 1 . 2]" 3
224 1 62 PHE H 1 63 GLU H . . 3.750 2.636 2.236 2.902 . 0 0 "[ . 1 . 2]" 3
225 1 61 PRO HG3 1 62 PHE H . . 4.520 3.889 3.527 4.572 0.052 11 0 "[ . 1 . 2]" 3
226 1 61 PRO HG2 1 62 PHE H . . 4.530 2.381 1.898 3.287 . 0 0 "[ . 1 . 2]" 3
227 1 56 HIS H 1 57 ARG H . . 3.580 2.907 2.544 3.081 . 0 0 "[ . 1 . 2]" 3
228 1 55 GLU H 1 57 ARG H . . 4.450 4.225 3.655 4.477 0.027 11 0 "[ . 1 . 2]" 3
229 1 56 HIS HD2 1 57 ARG H . . 4.680 3.114 2.727 3.945 . 0 0 "[ . 1 . 2]" 3
230 1 57 ARG H 1 59 LEU H . . 5.260 4.495 4.219 4.669 . 0 0 "[ . 1 . 2]" 3
231 1 57 ARG H 1 58 LEU H . . 3.650 2.913 2.484 3.060 . 0 0 "[ . 1 . 2]" 3
232 1 57 ARG H 1 57 ARG HG3 . . 3.940 3.061 1.991 3.985 0.045 15 0 "[ . 1 . 2]" 3
233 1 57 ARG H 1 57 ARG QB . . 3.300 2.353 2.191 2.583 . 0 0 "[ . 1 . 2]" 3
234 1 71 ASP H 1 72 PHE H . . 4.300 2.937 2.561 3.089 . 0 0 "[ . 1 . 2]" 3
235 1 72 PHE H 1 73 GLY H . . 3.290 2.762 2.489 2.891 . 0 0 "[ . 1 . 2]" 3
236 1 72 PHE H 1 72 PHE QD . . 3.720 2.099 1.906 2.407 . 0 0 "[ . 1 . 2]" 3
237 1 69 ASN HA 1 72 PHE H . . 4.370 3.844 3.699 4.125 . 0 0 "[ . 1 . 2]" 3
238 1 70 SER HA 1 72 PHE H . . 4.730 4.250 3.740 4.532 . 0 0 "[ . 1 . 2]" 3
239 1 72 PHE H 1 72 PHE HB2 . . 3.720 2.321 2.237 2.490 . 0 0 "[ . 1 . 2]" 3
240 1 72 PHE H 1 72 PHE HB3 . . 3.720 3.558 3.526 3.590 . 0 0 "[ . 1 . 2]" 3
241 1 71 ASP HB2 1 72 PHE H . . 4.610 3.045 2.300 4.033 . 0 0 "[ . 1 . 2]" 3
242 1 71 ASP HB3 1 72 PHE H . . 4.610 3.356 2.468 4.270 . 0 0 "[ . 1 . 2]" 3
243 1 72 PHE H 1 92 ALA MB . . 4.330 4.158 3.979 4.289 . 0 0 "[ . 1 . 2]" 3
244 1 42 LEU H 1 43 VAL H . . 3.730 2.393 2.278 2.617 . 0 0 "[ . 1 . 2]" 3
245 1 40 CYS HB3 1 43 VAL H . . 4.550 3.315 3.203 3.452 . 0 0 "[ . 1 . 2]" 3
246 1 42 LEU HB2 1 43 VAL H . . 4.660 3.887 3.813 3.928 . 0 0 "[ . 1 . 2]" 3
247 1 87 LEU H 1 88 GLU H . . 3.420 2.821 2.664 2.927 . 0 0 "[ . 1 . 2]" 3
248 1 86 HIS H 1 88 GLU H . . 4.780 4.147 3.894 4.280 . 0 0 "[ . 1 . 2]" 3
249 1 88 GLU H 1 89 MET H . . 3.180 2.742 2.594 2.856 . 0 0 "[ . 1 . 2]" 3
250 1 88 GLU H 1 90 CYS H . . 3.920 3.890 3.627 3.939 0.019 7 0 "[ . 1 . 2]" 3
251 1 86 HIS HA 1 88 GLU H . . 4.530 4.094 3.938 4.381 . 0 0 "[ . 1 . 2]" 3
252 1 88 GLU H 1 88 GLU HG2 . . 3.400 2.593 2.074 3.279 . 0 0 "[ . 1 . 2]" 3
253 1 88 GLU H 1 88 GLU HG3 . . 3.400 2.829 2.163 3.399 . 0 0 "[ . 1 . 2]" 3
254 1 88 GLU H 1 88 GLU HB3 . . 3.610 3.390 2.397 3.593 . 0 0 "[ . 1 . 2]" 3
255 1 87 LEU MD2 1 88 GLU H . . 5.500 4.695 4.547 4.760 . 0 0 "[ . 1 . 2]" 3
256 1 59 LEU H 1 60 CYS H . . 3.390 2.459 2.117 2.588 . 0 0 "[ . 1 . 2]" 3
257 1 58 LEU H 1 59 LEU H . . 3.580 2.759 2.236 3.022 . 0 0 "[ . 1 . 2]" 3
258 1 59 LEU H 1 59 LEU HB2 . . 3.750 2.663 2.503 2.797 . 0 0 "[ . 1 . 2]" 3
259 1 56 HIS HA 1 59 LEU H . . 3.970 3.361 3.147 3.569 . 0 0 "[ . 1 . 2]" 3
260 1 61 PRO HA 1 81 ASN H . . 4.190 3.767 3.432 4.159 . 0 0 "[ . 1 . 2]" 3
261 1 79 ALA HA 1 81 ASN H . . 4.800 4.102 3.720 4.391 . 0 0 "[ . 1 . 2]" 3
262 1 80 ARG H 1 81 ASN H . . 4.050 2.700 2.431 2.921 . 0 0 "[ . 1 . 2]" 3
263 1 81 ASN H 1 82 LYS H . . 3.670 2.502 2.133 2.694 . 0 0 "[ . 1 . 2]" 3
264 1 81 ASN H 1 81 ASN HB2 . . 4.050 3.233 2.497 3.675 . 0 0 "[ . 1 . 2]" 3
265 1 81 ASN H 1 81 ASN HB3 . . 4.050 2.498 2.294 2.822 . 0 0 "[ . 1 . 2]" 3
266 1 61 PRO HB2 1 81 ASN H . . 4.660 2.975 2.494 3.737 . 0 0 "[ . 1 . 2]" 3
267 1 61 PRO HB3 1 81 ASN H . . 4.660 4.046 3.503 4.675 0.015 11 0 "[ . 1 . 2]" 3
268 1 17 CYS HA 1 19 ASN H . . 4.530 3.934 3.738 4.170 . 0 0 "[ . 1 . 2]" 3
269 1 19 ASN H 1 19 ASN HB2 . . 3.740 2.855 2.353 3.791 0.051 8 0 "[ . 1 . 2]" 3
270 1 18 VAL H 1 19 ASN H . . 3.550 2.853 2.666 2.949 . 0 0 "[ . 1 . 2]" 3
271 1 19 ASN H 1 19 ASN HB3 . . 3.740 3.461 2.962 3.748 0.008 7 0 "[ . 1 . 2]" 3
272 1 56 HIS HA 1 58 LEU H . . 4.760 4.018 3.451 4.340 . 0 0 "[ . 1 . 2]" 3
273 1 57 ARG QB 1 58 LEU H . . 3.920 3.009 2.496 3.749 . 0 0 "[ . 1 . 2]" 3
274 1 58 LEU H 1 58 LEU HB3 . . 3.920 3.589 3.576 3.650 . 0 0 "[ . 1 . 2]" 3
275 1 58 LEU H 1 60 CYS H . . 4.850 4.190 3.662 4.396 . 0 0 "[ . 1 . 2]" 3
276 1 86 HIS HA 1 89 MET H . . 4.400 3.378 3.265 3.505 . 0 0 "[ . 1 . 2]" 3
277 1 87 LEU HA 1 89 MET H . . 4.470 4.288 3.924 4.467 . 0 0 "[ . 1 . 2]" 3
278 1 89 MET H 1 90 CYS HB2 . . 5.470 4.388 4.210 4.494 . 0 0 "[ . 1 . 2]" 3
279 1 89 MET H 1 89 MET ME . . 4.780 4.320 3.452 4.806 0.026 4 0 "[ . 1 . 2]" 3
280 1 89 MET H 1 89 MET HB3 . . 4.050 2.912 2.815 3.027 . 0 0 "[ . 1 . 2]" 3
281 1 43 VAL H 1 44 CYS H . . 3.470 2.888 2.849 2.921 . 0 0 "[ . 1 . 2]" 3
282 1 44 CYS H 1 45 GLY H . . 3.380 2.603 2.560 2.630 . 0 0 "[ . 1 . 2]" 3
283 1 44 CYS H 1 62 PHE QE . . 5.090 4.891 4.543 5.043 . 0 0 "[ . 1 . 2]" 3
284 1 44 CYS H 1 62 PHE QD . . 4.570 4.445 4.078 4.582 0.012 18 0 "[ . 1 . 2]" 3
285 1 40 CYS HA 1 44 CYS H . . 5.500 5.161 5.070 5.267 . 0 0 "[ . 1 . 2]" 3
286 1 44 CYS H 1 45 GLY HA2 . . 5.500 4.933 4.896 4.957 . 0 0 "[ . 1 . 2]" 3
287 1 42 LEU HA 1 44 CYS H . . 4.600 4.513 4.451 4.550 . 0 0 "[ . 1 . 2]" 3
288 1 43 VAL HA 1 44 CYS H . . 3.480 2.858 2.837 2.900 . 0 0 "[ . 1 . 2]" 3
289 1 44 CYS H 1 45 GLY HA3 . . 5.500 5.241 5.210 5.259 . 0 0 "[ . 1 . 2]" 3
290 1 40 CYS HB3 1 44 CYS H . . 3.610 2.349 2.203 2.758 . 0 0 "[ . 1 . 2]" 3
291 1 44 CYS H 1 44 CYS HB2 . . 4.050 3.541 3.521 3.572 . 0 0 "[ . 1 . 2]" 3
292 1 43 VAL HB 1 44 CYS H . . 4.690 4.473 4.462 4.486 . 0 0 "[ . 1 . 2]" 3
293 1 44 CYS H 1 44 CYS HB3 . . 3.960 2.270 2.229 2.355 . 0 0 "[ . 1 . 2]" 3
294 1 44 CYS H 1 46 ALA MB . . 5.090 5.065 5.008 5.093 0.003 6 0 "[ . 1 . 2]" 3
295 1 90 CYS HB3 1 93 SER H . . 4.790 3.395 3.128 4.542 . 0 0 "[ . 1 . 2]" 3
296 1 92 ALA H 1 93 SER H . . 3.520 2.720 2.612 3.193 . 0 0 "[ . 1 . 2]" 3
297 1 92 ALA HA 1 93 SER H . . 3.520 3.445 2.802 3.528 0.008 9 0 "[ . 1 . 2]" 3
298 1 17 CYS H 1 18 VAL H . . 3.760 3.018 2.678 3.083 . 0 0 "[ . 1 . 2]" 3
299 1 14 HIS HB3 1 18 VAL H . . 4.710 3.978 3.707 4.454 . 0 0 "[ . 1 . 2]" 3
300 1 17 CYS HB2 1 18 VAL H . . 3.990 2.307 2.074 2.794 . 0 0 "[ . 1 . 2]" 3
301 1 15 SER HA 1 18 VAL H . . 4.780 4.289 3.552 4.456 . 0 0 "[ . 1 . 2]" 3
302 1 17 CYS HB3 1 18 VAL H . . 4.250 3.514 3.134 4.024 . 0 0 "[ . 1 . 2]" 3
303 1 14 HIS HB2 1 18 VAL H . . 4.710 3.236 3.037 3.629 . 0 0 "[ . 1 . 2]" 3
304 1 45 GLY H 1 46 ALA H . . 3.160 2.326 2.198 2.449 . 0 0 "[ . 1 . 2]" 3
305 1 43 VAL HA 1 45 GLY H . . 3.890 3.214 3.105 3.282 . 0 0 "[ . 1 . 2]" 3
306 1 40 CYS HB3 1 45 GLY H . . 4.620 3.165 2.898 3.311 . 0 0 "[ . 1 . 2]" 3
307 1 30 GLU H 1 34 SER H . . 3.600 2.472 2.198 2.717 . 0 0 "[ . 1 . 2]" 3
308 1 34 SER H 1 35 CYS H . . 4.690 4.439 4.314 4.527 . 0 0 "[ . 1 . 2]" 3
309 1 34 SER H 1 34 SER HG . . 4.710 3.929 2.372 4.663 . 0 0 "[ . 1 . 2]" 3
310 1 29 PRO HA 1 34 SER H . . 4.400 4.143 3.847 4.402 0.002 11 0 "[ . 1 . 2]" 3
311 1 30 GLU QB 1 34 SER H . . 3.860 2.123 1.854 2.804 . 0 0 "[ . 1 . 2]" 3
312 1 33 ILE HB 1 34 SER H . . 3.410 2.155 1.961 2.366 . 0 0 "[ . 1 . 2]" 3
313 1 68 LEU H 1 69 ASN H . . 4.560 2.971 2.811 3.107 . 0 0 "[ . 1 . 2]" 3
314 1 27 THR HB 1 28 ARG H . . 4.310 4.125 3.895 4.320 0.010 17 0 "[ . 1 . 2]" 3
315 1 28 ARG H 1 28 ARG HB3 . . 3.840 2.839 2.355 3.502 . 0 0 "[ . 1 . 2]" 3
316 1 28 ARG H 1 28 ARG HB2 . . 3.840 2.337 2.163 2.716 . 0 0 "[ . 1 . 2]" 3
317 1 70 SER HA 1 73 GLY H . . 4.450 3.301 3.137 3.462 . 0 0 "[ . 1 . 2]" 3
318 1 71 ASP HA 1 73 GLY H . . 4.370 4.292 4.120 4.377 0.007 5 0 "[ . 1 . 2]" 3
319 1 73 GLY H 1 92 ALA MB . . 4.550 4.024 3.732 4.240 . 0 0 "[ . 1 . 2]" 3
320 1 38 ILE HA 1 39 GLY H . . 3.090 2.220 2.155 2.335 . 0 0 "[ . 1 . 2]" 3
321 1 38 ILE HB 1 39 GLY H . . 3.520 2.933 2.560 3.262 . 0 0 "[ . 1 . 2]" 3
322 1 89 MET H 1 90 CYS H . . 2.980 2.471 2.145 2.624 . 0 0 "[ . 1 . 2]" 3
323 1 88 GLU HA 1 90 CYS H . . 4.320 4.000 3.883 4.155 . 0 0 "[ . 1 . 2]" 3
324 1 87 LEU HA 1 90 CYS H . . 3.650 3.242 3.057 3.362 . 0 0 "[ . 1 . 2]" 3
325 1 90 CYS H 1 90 CYS HB3 . . 3.280 2.337 2.277 2.465 . 0 0 "[ . 1 . 2]" 3
326 1 90 CYS H 1 90 CYS HB2 . . 3.300 2.875 2.592 2.989 . 0 0 "[ . 1 . 2]" 3
327 1 89 MET HB2 1 90 CYS H . . 4.750 4.444 4.157 4.498 . 0 0 "[ . 1 . 2]" 3
328 1 87 LEU MD2 1 90 CYS H . . 4.700 4.606 4.437 4.714 0.014 7 0 "[ . 1 . 2]" 3
329 1 57 ARG QB 1 57 ARG HE . . 4.100 3.049 1.913 3.980 . 0 0 "[ . 1 . 2]" 3
330 1 69 ASN HD22 1 90 CYS HB3 . . 5.210 4.335 3.263 5.048 . 0 0 "[ . 1 . 2]" 3
331 1 49 HIS HD1 1 50 SER H . . 4.980 3.927 3.731 4.092 . 0 0 "[ . 1 . 2]" 3
332 1 35 CYS H 1 49 HIS HD1 . . 4.380 2.817 2.520 3.121 . 0 0 "[ . 1 . 2]" 3
333 1 14 HIS H 1 17 CYS H . . 5.410 4.911 4.541 5.384 . 0 0 "[ . 1 . 2]" 3
334 1 67 CYS HB3 1 70 SER H . . 4.830 4.138 3.608 4.620 . 0 0 "[ . 1 . 2]" 3
335 1 35 CYS H 1 49 HIS HE1 . . 4.860 3.265 2.781 3.908 . 0 0 "[ . 1 . 2]" 3
336 1 37 LEU H 1 37 LEU HB3 . . 3.740 3.508 3.473 3.546 . 0 0 "[ . 1 . 2]" 3
337 1 37 LEU MD1 1 49 HIS H . . 5.110 4.960 4.705 5.118 0.008 1 0 "[ . 1 . 2]" 3
338 1 66 PRO HB3 1 67 CYS H . . 4.010 3.754 3.673 3.786 . 0 0 "[ . 1 . 2]" 3
339 1 78 MET HB2 1 79 ALA H . . 3.990 2.040 1.925 2.194 . 0 0 "[ . 1 . 2]" 3
340 1 93 SER H 1 94 VAL H . . 3.820 2.740 1.809 3.186 . 0 0 "[ . 1 . 2]" 3
341 1 25 CYS H 1 25 CYS HB2 . . 3.480 2.901 2.622 3.036 . 0 0 "[ . 1 . 2]" 3
342 1 38 ILE MD 1 50 SER H . . 4.320 4.166 3.734 4.295 . 0 0 "[ . 1 . 2]" 3
343 1 38 ILE H 1 38 ILE MD . . 3.820 3.307 3.206 3.445 . 0 0 "[ . 1 . 2]" 3
344 1 38 ILE MD 1 48 PHE HZ . . 4.130 3.988 3.829 4.176 0.046 9 0 "[ . 1 . 2]" 3
345 1 38 ILE MD 1 48 PHE QD . . 4.030 2.956 2.640 3.222 . 0 0 "[ . 1 . 2]" 3
346 1 38 ILE MD 1 48 PHE QE . . 3.310 2.662 2.475 2.826 . 0 0 "[ . 1 . 2]" 3
347 1 38 ILE MD 1 50 SER HA . . 3.200 2.589 2.040 2.799 . 0 0 "[ . 1 . 2]" 3
348 1 38 ILE MD 1 53 ALA HA . . 4.510 4.005 3.782 4.232 . 0 0 "[ . 1 . 2]" 3
349 1 38 ILE HB 1 38 ILE MD . . 3.040 2.161 2.069 2.272 . 0 0 "[ . 1 . 2]" 3
350 1 14 HIS HD2 1 32 GLY HA3 . . 4.630 4.307 3.891 4.651 0.021 15 0 "[ . 1 . 2]" 3
351 1 14 HIS HD2 1 32 GLY HA2 . . 4.630 2.919 2.354 3.423 . 0 0 "[ . 1 . 2]" 3
352 1 96 GLY HA2 1 97 PRO QD . . 3.150 2.248 1.897 2.901 . 0 0 "[ . 1 . 2]" 3
353 1 96 GLY HA3 1 97 PRO QD . . 3.150 2.430 1.859 2.978 . 0 0 "[ . 1 . 2]" 3
354 1 59 LEU HB2 1 60 CYS HA . . 5.500 3.938 3.841 4.062 . 0 0 "[ . 1 . 2]" 3
355 1 59 LEU H 1 59 LEU HB3 . . 3.990 3.621 3.579 3.700 . 0 0 "[ . 1 . 2]" 3
356 1 56 HIS HA 1 59 LEU HB3 . . 5.500 5.131 4.786 5.526 0.026 20 0 "[ . 1 . 2]" 3
357 1 59 LEU HB3 1 60 CYS HA . . 5.500 4.701 4.453 4.904 . 0 0 "[ . 1 . 2]" 3
358 1 59 LEU HB3 1 60 CYS H . . 4.750 3.714 3.496 3.919 . 0 0 "[ . 1 . 2]" 3
359 1 15 SER H 1 33 ILE MD . . 5.500 5.267 5.074 5.459 . 0 0 "[ . 1 . 2]" 3
360 1 16 HIS H 1 33 ILE MD . . 5.500 5.498 5.351 5.581 0.081 13 0 "[ . 1 . 2]" 3
361 1 33 ILE MD 1 34 SER H . . 4.170 3.812 3.592 3.985 . 0 0 "[ . 1 . 2]" 3
362 1 33 ILE HA 1 33 ILE MD . . 3.390 2.709 2.447 2.992 . 0 0 "[ . 1 . 2]" 3
363 1 30 GLU HG3 1 33 ILE MD . . 3.440 2.845 2.529 3.175 . 0 0 "[ . 1 . 2]" 3
364 1 30 GLU QB 1 33 ILE MD . . 3.420 2.599 1.940 3.528 0.108 17 0 "[ . 1 . 2]" 3
365 1 57 ARG QD 1 58 LEU H . . 5.230 4.482 3.949 5.127 . 0 0 "[ . 1 . 2]" 3
366 1 57 ARG H 1 57 ARG QD . . 4.480 3.846 1.937 4.538 0.058 15 0 "[ . 1 . 2]" 3
367 1 54 ASP HA 1 57 ARG QD . . 3.960 2.968 1.972 3.942 . 0 0 "[ . 1 . 2]" 3
368 1 23 ARG HA 1 23 ARG QD . . 4.270 3.864 2.205 4.292 0.022 16 0 "[ . 1 . 2]" 3
369 1 23 ARG HB3 1 23 ARG QD . . 3.880 2.659 2.119 3.268 . 0 0 "[ . 1 . 2]" 3
370 1 24 ARG HA 1 24 ARG QD . . 3.650 2.558 1.970 3.637 . 0 0 "[ . 1 . 2]" 3
371 1 64 ARG H 1 64 ARG QD . . 4.700 4.531 4.212 4.717 0.017 11 0 "[ . 1 . 2]" 3
372 1 64 ARG HA 1 64 ARG QD . . 4.420 3.811 2.041 4.311 . 0 0 "[ . 1 . 2]" 3
373 1 64 ARG QD 1 77 THR HB . . 4.300 2.818 2.078 3.323 . 0 0 "[ . 1 . 2]" 3
374 1 64 ARG QD 1 77 THR MG . . 3.920 3.690 3.399 3.935 0.015 6 0 "[ . 1 . 2]" 3
375 1 24 ARG QD 1 47 VAL MG2 . . 4.580 4.082 3.458 4.585 0.005 5 0 "[ . 1 . 2]" 3
376 1 39 GLY HA3 1 48 PHE H . . 5.450 5.191 4.955 5.453 0.003 11 0 "[ . 1 . 2]" 3
377 1 39 GLY HA3 1 47 VAL MG2 . . 4.380 3.661 3.383 4.114 . 0 0 "[ . 1 . 2]" 3
378 1 39 GLY HA3 1 47 VAL MG1 . . 4.650 4.296 4.098 4.628 . 0 0 "[ . 1 . 2]" 3
379 1 28 ARG HA 1 28 ARG QD . . 4.140 3.576 2.221 4.147 0.007 8 0 "[ . 1 . 2]" 3
380 1 68 LEU HB3 1 69 ASN H . . 4.820 3.285 3.020 3.585 . 0 0 "[ . 1 . 2]" 3
381 1 68 LEU H 1 68 LEU HB3 . . 3.990 3.566 3.519 3.598 . 0 0 "[ . 1 . 2]" 3
382 1 68 LEU HB2 1 69 ASN H . . 4.620 2.733 2.579 2.896 . 0 0 "[ . 1 . 2]" 3
383 1 68 LEU H 1 68 LEU HB2 . . 3.920 2.326 2.225 2.459 . 0 0 "[ . 1 . 2]" 3
384 1 36 ASP HA 1 37 LEU HB2 . . 4.340 4.301 4.253 4.382 0.042 17 0 "[ . 1 . 2]" 3
385 1 49 HIS H 1 52 LYS QE . . 5.300 4.895 4.527 5.306 0.006 14 0 "[ . 1 . 2]" 3
386 1 18 VAL H 1 52 LYS QE . . 4.570 3.474 2.945 4.174 . 0 0 "[ . 1 . 2]" 3
387 1 20 CYS H 1 52 LYS QE . . 4.460 3.737 3.318 4.396 . 0 0 "[ . 1 . 2]" 3
388 1 49 HIS HD2 1 52 LYS QE . . 4.910 4.272 3.791 4.692 . 0 0 "[ . 1 . 2]" 3
389 1 18 VAL HA 1 52 LYS QE . . 3.320 2.335 1.954 2.717 . 0 0 "[ . 1 . 2]" 3
390 1 52 LYS HB3 1 52 LYS QE . . 4.360 3.597 2.399 4.100 . 0 0 "[ . 1 . 2]" 3
391 1 52 LYS HB2 1 52 LYS QE . . 4.360 4.089 3.519 4.379 0.019 15 0 "[ . 1 . 2]" 3
392 1 37 LEU HB3 1 38 ILE H . . 4.360 2.923 2.648 3.064 . 0 0 "[ . 1 . 2]" 3
393 1 58 LEU H 1 58 LEU HB2 . . 3.920 2.556 2.364 2.730 . 0 0 "[ . 1 . 2]" 3
394 1 55 GLU HA 1 58 LEU HB2 . . 5.500 3.791 3.485 4.274 . 0 0 "[ . 1 . 2]" 3
395 1 36 ASP H 1 36 ASP HB3 . . 3.670 3.566 3.542 3.595 . 0 0 "[ . 1 . 2]" 3
396 1 36 ASP HB3 1 38 ILE MG . . 4.400 4.197 4.004 4.439 0.039 5 0 "[ . 1 . 2]" 3
397 1 36 ASP H 1 36 ASP HB2 . . 3.690 2.771 2.621 2.862 . 0 0 "[ . 1 . 2]" 3
398 1 87 LEU H 1 87 LEU HB2 . . 3.790 2.341 2.204 2.519 . 0 0 "[ . 1 . 2]" 3
399 1 84 ALA HA 1 87 LEU HB2 . . 4.470 2.585 2.094 2.984 . 0 0 "[ . 1 . 2]" 3
400 1 84 ALA HA 1 87 LEU HB3 . . 4.470 4.126 3.675 4.478 0.008 6 0 "[ . 1 . 2]" 3
401 1 42 LEU HB2 1 62 PHE HB2 . . 4.890 2.949 2.760 3.162 . 0 0 "[ . 1 . 2]" 3
402 1 19 ASN HB2 1 20 CYS H . . 4.660 4.264 3.287 4.503 . 0 0 "[ . 1 . 2]" 3
403 1 77 THR HB 1 78 MET H . . 3.570 3.215 3.103 3.364 . 0 0 "[ . 1 . 2]" 3
404 1 77 THR HB 1 78 MET HA . . 4.860 4.169 4.125 4.197 . 0 0 "[ . 1 . 2]" 3
405 1 64 ARG HG3 1 77 THR HB . . 3.960 2.718 2.212 2.967 . 0 0 "[ . 1 . 2]" 3
406 1 64 ARG HG2 1 77 THR HB . . 3.960 3.175 2.506 3.699 . 0 0 "[ . 1 . 2]" 3
407 1 19 ASN HB3 1 20 CYS H . . 4.660 4.429 3.868 4.654 . 0 0 "[ . 1 . 2]" 3
408 1 54 ASP H 1 54 ASP HB3 . . 3.650 3.168 2.182 3.617 . 0 0 "[ . 1 . 2]" 3
409 1 42 LEU HB3 1 62 PHE HB3 . . 4.820 2.216 1.999 2.530 . 0 0 "[ . 1 . 2]" 3
410 1 42 LEU HB2 1 62 PHE HB3 . . 4.890 2.997 2.572 3.482 . 0 0 "[ . 1 . 2]" 3
411 1 42 LEU HB3 1 62 PHE HB2 . . 4.820 3.085 2.633 3.531 . 0 0 "[ . 1 . 2]" 3
412 1 27 THR HB 1 49 HIS HE1 . . 4.550 3.892 3.383 4.141 . 0 0 "[ . 1 . 2]" 3
413 1 61 PRO HB3 1 81 ASN HB2 . . 4.610 3.935 2.987 4.646 0.036 9 0 "[ . 1 . 2]" 3
414 1 85 GLU H 1 85 GLU HG2 . . 4.550 3.724 2.309 4.622 0.072 8 0 "[ . 1 . 2]" 3
415 1 85 GLU HG2 1 86 HIS H . . 5.500 4.482 2.003 5.258 . 0 0 "[ . 1 . 2]" 3
416 1 85 GLU HA 1 85 GLU HG2 . . 3.710 3.086 2.250 3.777 0.067 2 0 "[ . 1 . 2]" 3
417 1 55 GLU QB 1 55 GLU HG2 . . 2.770 2.379 2.146 2.470 . 0 0 "[ . 1 . 2]" 3
418 1 85 GLU HA 1 85 GLU HG3 . . 3.710 3.159 2.200 3.712 0.002 10 0 "[ . 1 . 2]" 3
419 1 55 GLU H 1 55 GLU HG3 . . 3.900 3.004 2.181 3.844 . 0 0 "[ . 1 . 2]" 3
420 1 55 GLU QB 1 55 GLU HG3 . . 2.770 2.252 2.141 2.453 . 0 0 "[ . 1 . 2]" 3
421 1 55 GLU HA 1 55 GLU HG3 . . 3.950 3.491 2.578 3.800 . 0 0 "[ . 1 . 2]" 3
422 1 9 GLU HA 1 9 GLU QG . . 3.520 2.924 2.218 3.477 . 0 0 "[ . 1 . 2]" 3
423 1 11 GLU HG3 1 12 LEU H . . 4.500 2.931 2.292 3.653 . 0 0 "[ . 1 . 2]" 3
424 1 88 GLU HG2 1 89 MET H . . 4.880 4.320 2.760 4.870 . 0 0 "[ . 1 . 2]" 3
425 1 88 GLU HG3 1 89 MET H . . 4.880 4.038 2.016 4.888 0.008 19 0 "[ . 1 . 2]" 3
426 1 88 GLU HA 1 88 GLU HG3 . . 3.930 3.556 3.233 3.795 . 0 0 "[ . 1 . 2]" 3
427 1 30 GLU HG2 1 34 SER H . . 4.780 4.069 2.968 4.486 . 0 0 "[ . 1 . 2]" 3
428 1 30 GLU HA 1 30 GLU HG2 . . 3.820 3.150 2.934 3.859 0.039 1 0 "[ . 1 . 2]" 3
429 1 30 GLU HG2 1 31 PRO HD2 . . 4.040 3.822 3.452 4.010 . 0 0 "[ . 1 . 2]" 3
430 1 30 GLU HG2 1 33 ILE HB . . 4.020 3.324 1.907 3.965 . 0 0 "[ . 1 . 2]" 3
431 1 30 GLU HG2 1 33 ILE HG12 . . 5.070 4.466 3.000 5.102 0.032 14 0 "[ . 1 . 2]" 3
432 1 30 GLU HG2 1 33 ILE MG . . 4.360 4.099 3.665 4.414 0.054 14 0 "[ . 1 . 2]" 3
433 1 30 GLU HG2 1 33 ILE MD . . 4.160 3.709 1.884 4.225 0.065 13 0 "[ . 1 . 2]" 3
434 1 30 GLU H 1 30 GLU HG2 . . 4.640 3.617 3.218 4.600 . 0 0 "[ . 1 . 2]" 3
435 1 30 GLU HG3 1 34 SER H . . 4.840 4.388 4.014 4.872 0.032 13 0 "[ . 1 . 2]" 3
436 1 30 GLU HA 1 30 GLU HG3 . . 3.790 3.408 2.852 3.557 . 0 0 "[ . 1 . 2]" 3
437 1 30 GLU HG3 1 31 PRO HD3 . . 4.680 4.313 3.446 4.691 0.011 13 0 "[ . 1 . 2]" 3
438 1 30 GLU HG3 1 31 PRO HD2 . . 4.040 2.937 1.995 3.312 . 0 0 "[ . 1 . 2]" 3
439 1 30 GLU HG3 1 33 ILE HB . . 4.020 3.241 2.874 3.740 . 0 0 "[ . 1 . 2]" 3
440 1 30 GLU HG3 1 33 ILE HG13 . . 5.500 5.266 5.029 5.683 0.183 17 0 "[ . 1 . 2]" 3
441 1 30 GLU HG3 1 33 ILE HG12 . . 4.720 3.993 3.654 4.689 . 0 0 "[ . 1 . 2]" 3
442 1 47 VAL HB 1 48 PHE H . . 4.480 4.292 4.252 4.319 . 0 0 "[ . 1 . 2]" 3
443 1 23 ARG HA 1 47 VAL HB . . 4.960 3.129 2.338 3.487 . 0 0 "[ . 1 . 2]" 3
444 1 83 VAL HA 1 86 HIS HB3 . . 4.350 2.585 2.253 2.949 . 0 0 "[ . 1 . 2]" 3
445 1 65 VAL MG2 1 83 VAL HA . . 5.440 5.024 4.796 5.241 . 0 0 "[ . 1 . 2]" 3
446 1 83 VAL HA 1 87 LEU H . . 4.420 4.057 3.579 4.276 . 0 0 "[ . 1 . 2]" 3
447 1 83 VAL HA 1 86 HIS HB2 . . 4.350 3.893 3.527 4.361 0.011 1 0 "[ . 1 . 2]" 3
448 1 78 MET HG3 1 83 VAL HA . . 4.300 2.537 1.984 3.063 . 0 0 "[ . 1 . 2]" 3
449 1 78 MET HG2 1 83 VAL HA . . 4.310 2.837 2.489 3.240 . 0 0 "[ . 1 . 2]" 3
450 1 83 VAL HA 1 87 LEU MD1 . . 5.180 4.794 4.348 5.022 . 0 0 "[ . 1 . 2]" 3
451 1 83 VAL HA 1 87 LEU MD2 . . 5.500 5.315 4.921 5.496 . 0 0 "[ . 1 . 2]" 3
452 1 78 MET HB3 1 78 MET ME . . 4.730 3.693 3.617 3.771 . 0 0 "[ . 1 . 2]" 3
453 1 78 MET HB2 1 78 MET ME . . 4.640 4.143 4.079 4.196 . 0 0 "[ . 1 . 2]" 3
454 1 60 CYS HB3 1 63 GLU QG . . 4.280 3.840 2.560 4.209 . 0 0 "[ . 1 . 2]" 3
455 1 57 ARG QB 1 63 GLU QG . . 3.850 2.618 1.988 3.838 . 0 0 "[ . 1 . 2]" 3
456 1 63 GLU QG 1 64 ARG H . . 4.490 2.936 2.372 3.592 . 0 0 "[ . 1 . 2]" 3
457 1 29 PRO HA 1 34 SER HB3 . . 4.630 3.715 2.419 4.647 0.017 7 0 "[ . 1 . 2]" 3
458 1 34 SER HB2 1 35 CYS H . . 4.230 3.201 2.416 3.929 . 0 0 "[ . 1 . 2]" 3
459 1 16 HIS HD2 1 34 SER HB2 . . 4.500 2.688 2.040 4.322 . 0 0 "[ . 1 . 2]" 3
460 1 29 PRO HA 1 34 SER HB2 . . 4.630 3.988 2.203 4.508 . 0 0 "[ . 1 . 2]" 3
461 1 27 THR MG 1 34 SER HB2 . . 4.030 3.245 2.486 3.725 . 0 0 "[ . 1 . 2]" 3
462 1 30 GLU H 1 34 SER HB3 . . 4.970 3.494 2.168 4.304 . 0 0 "[ . 1 . 2]" 3
463 1 34 SER HB3 1 35 CYS H . . 4.230 3.734 2.506 4.236 0.006 11 0 "[ . 1 . 2]" 3
464 1 16 HIS HD2 1 34 SER HB3 . . 4.500 3.523 2.575 4.460 . 0 0 "[ . 1 . 2]" 3
465 1 27 THR MG 1 34 SER HB3 . . 4.030 2.979 2.604 3.468 . 0 0 "[ . 1 . 2]" 3
466 1 13 GLN HG2 1 14 HIS H . . 4.880 4.366 3.651 4.848 . 0 0 "[ . 1 . 2]" 3
467 1 13 GLN HA 1 13 GLN HG2 . . 3.900 3.477 2.355 3.835 . 0 0 "[ . 1 . 2]" 3
468 1 13 GLN H 1 13 GLN HG3 . . 3.700 3.276 2.456 3.629 . 0 0 "[ . 1 . 2]" 3
469 1 65 VAL HB 1 66 PRO HD3 . . 3.800 3.607 3.510 3.714 . 0 0 "[ . 1 . 2]" 3
470 1 41 PRO HA 1 43 VAL H . . 4.530 3.696 3.618 3.756 . 0 0 "[ . 1 . 2]" 3
471 1 41 PRO HA 1 43 VAL MG1 . . 4.650 4.397 4.148 4.518 . 0 0 "[ . 1 . 2]" 3
472 1 89 MET H 1 89 MET HB2 . . 4.050 3.724 3.644 3.781 . 0 0 "[ . 1 . 2]" 3
473 1 89 MET HB3 1 90 CYS H . . 4.750 4.497 4.269 4.567 . 0 0 "[ . 1 . 2]" 3
474 1 31 PRO HA 1 32 GLY H . . 3.540 2.975 2.324 3.270 . 0 0 "[ . 1 . 2]" 3
475 1 31 PRO HA 1 33 ILE H . . 5.500 5.158 4.149 5.603 0.103 6 0 "[ . 1 . 2]" 3
476 1 61 PRO HA 1 80 ARG HB3 . . 4.520 2.743 2.022 3.577 . 0 0 "[ . 1 . 2]" 3
477 1 27 THR HA 1 28 ARG H . . 3.010 2.189 2.142 2.268 . 0 0 "[ . 1 . 2]" 3
478 1 91 PRO HA 1 93 SER H . . 4.860 4.019 3.600 4.321 . 0 0 "[ . 1 . 2]" 3
479 1 91 PRO HA 1 92 ALA MB . . 5.280 5.032 5.008 5.050 . 0 0 "[ . 1 . 2]" 3
480 1 30 GLU QB 1 33 ILE HB . . 3.540 1.943 1.854 2.358 . 0 0 "[ . 1 . 2]" 3
481 1 30 GLU QB 1 33 ILE HG12 . . 4.690 3.809 3.471 3.996 . 0 0 "[ . 1 . 2]" 3
482 1 22 SER HB2 1 25 CYS HB2 . . 4.400 3.515 2.426 4.408 0.008 9 0 "[ . 1 . 2]" 3
483 1 22 SER H 1 22 SER HB3 . . 3.620 2.961 2.408 3.603 . 0 0 "[ . 1 . 2]" 3
484 1 22 SER HB3 1 25 CYS HB2 . . 4.400 2.903 2.015 4.356 . 0 0 "[ . 1 . 2]" 3
485 1 61 PRO HB2 1 81 ASN HB2 . . 4.610 3.006 2.011 3.773 . 0 0 "[ . 1 . 2]" 3
486 1 61 PRO HB2 1 81 ASN HB3 . . 4.610 2.439 1.974 3.145 . 0 0 "[ . 1 . 2]" 3
487 1 93 SER HB2 1 94 VAL H . . 4.530 3.932 3.274 4.556 0.026 19 0 "[ . 1 . 2]" 3
488 1 93 SER H 1 93 SER HB2 . . 3.540 2.468 2.183 3.562 0.022 15 0 "[ . 1 . 2]" 3
489 1 90 CYS HB3 1 93 SER HB2 . . 4.490 2.665 2.160 4.235 . 0 0 "[ . 1 . 2]" 3
490 1 95 SER QB 1 96 GLY H . . 4.440 3.465 2.266 4.060 . 0 0 "[ . 1 . 2]" 3
491 1 94 VAL MG2 1 95 SER QB . . 4.150 3.699 2.589 4.150 . 0 0 "[ . 1 . 2]" 3
492 1 93 SER H 1 93 SER HB3 . . 3.540 3.056 2.295 3.546 0.006 4 0 "[ . 1 . 2]" 3
493 1 90 CYS HB3 1 93 SER HB3 . . 4.490 3.422 2.181 4.186 . 0 0 "[ . 1 . 2]" 3
494 1 61 PRO HB3 1 81 ASN HB3 . . 4.610 3.653 2.634 4.619 0.009 16 0 "[ . 1 . 2]" 3
495 1 83 VAL HB 1 84 ALA H . . 4.180 3.269 2.471 4.170 . 0 0 "[ . 1 . 2]" 3
496 1 83 VAL H 1 83 VAL HB . . 3.690 3.014 2.407 3.647 . 0 0 "[ . 1 . 2]" 3
497 1 29 PRO HB3 1 35 CYS HA . . 4.390 3.000 2.573 3.442 . 0 0 "[ . 1 . 2]" 3
498 1 29 PRO HB3 1 36 ASP HA . . 4.670 2.460 2.161 2.798 . 0 0 "[ . 1 . 2]" 3
499 1 38 ILE HG12 1 50 SER HB2 . . 4.620 2.832 1.939 3.189 . 0 0 "[ . 1 . 2]" 3
500 1 50 SER H 1 50 SER HB2 . . 3.730 3.520 2.863 3.624 . 0 0 "[ . 1 . 2]" 3
501 1 38 ILE MD 1 50 SER HB2 . . 4.310 4.056 3.301 4.293 . 0 0 "[ . 1 . 2]" 3
502 1 50 SER H 1 50 SER HB3 . . 3.730 2.363 2.228 2.501 . 0 0 "[ . 1 . 2]" 3
503 1 38 ILE MD 1 50 SER HB3 . . 4.310 4.162 3.967 4.427 0.117 5 0 "[ . 1 . 2]" 3
504 1 38 ILE HG12 1 50 SER HB3 . . 4.620 2.686 2.460 3.336 . 0 0 "[ . 1 . 2]" 3
505 1 40 CYS HB3 1 46 ALA MB . . 4.350 4.245 4.044 4.355 0.005 6 0 "[ . 1 . 2]" 3
506 1 14 HIS HB2 1 17 CYS HB2 . . 4.370 1.997 1.948 2.280 . 0 0 "[ . 1 . 2]" 3
507 1 40 CYS HB2 1 46 ALA H . . 4.490 3.484 3.225 3.801 . 0 0 "[ . 1 . 2]" 3
508 1 40 CYS HB2 1 44 CYS H . . 4.010 3.818 3.682 4.002 . 0 0 "[ . 1 . 2]" 3
509 1 40 CYS HB2 1 48 PHE QE . . 4.100 2.061 1.987 2.209 . 0 0 "[ . 1 . 2]" 3
510 1 29 PRO HA 1 30 GLU H . . 3.090 2.186 2.152 2.207 . 0 0 "[ . 1 . 2]" 3
511 1 29 PRO HA 1 35 CYS HA . . 4.250 3.079 2.695 3.550 . 0 0 "[ . 1 . 2]" 3
512 1 29 PRO HA 1 34 SER HG . . 4.180 2.805 2.059 4.198 0.018 14 0 "[ . 1 . 2]" 3
513 1 40 CYS HB3 1 48 PHE QE . . 4.340 3.731 3.573 3.872 . 0 0 "[ . 1 . 2]" 3
514 1 40 CYS HB3 1 43 VAL HA . . 4.810 3.575 3.241 3.804 . 0 0 "[ . 1 . 2]" 3
515 1 40 CYS HB2 1 45 GLY H . . 4.730 4.060 3.839 4.317 . 0 0 "[ . 1 . 2]" 3
516 1 40 CYS HB2 1 48 PHE HZ . . 4.870 2.386 2.004 2.726 . 0 0 "[ . 1 . 2]" 3
517 1 26 MET H 1 26 MET HG2 . . 4.580 3.406 1.937 4.556 . 0 0 "[ . 1 . 2]" 3
518 1 26 MET H 1 26 MET HG3 . . 4.580 3.394 2.854 4.371 . 0 0 "[ . 1 . 2]" 3
519 1 26 MET HA 1 26 MET HG2 . . 3.890 2.978 2.263 3.796 . 0 0 "[ . 1 . 2]" 3
520 1 26 MET HA 1 26 MET HG3 . . 3.890 3.277 2.513 3.847 . 0 0 "[ . 1 . 2]" 3
521 1 65 VAL HA 1 66 PRO HB3 . . 4.870 4.833 4.830 4.836 . 0 0 "[ . 1 . 2]" 3
522 1 66 PRO HB3 1 70 SER HB3 . . 4.830 4.308 3.784 4.712 . 0 0 "[ . 1 . 2]" 3
523 1 65 VAL HA 1 66 PRO HB2 . . 5.500 5.537 5.519 5.556 0.056 11 0 "[ . 1 . 2]" 3
524 1 89 MET QG 1 90 CYS HB2 . . 4.370 4.278 3.897 4.406 0.036 1 0 "[ . 1 . 2]" 3
525 1 50 SER HA 1 52 LYS H . . 4.830 4.560 4.268 4.726 . 0 0 "[ . 1 . 2]" 3
526 1 38 ILE MG 1 50 SER HA . . 4.110 3.470 3.318 3.906 . 0 0 "[ . 1 . 2]" 3
527 1 38 ILE HG12 1 50 SER HA . . 4.080 2.035 1.981 2.235 . 0 0 "[ . 1 . 2]" 3
528 1 89 MET H 1 89 MET QG . . 3.290 2.187 1.938 2.344 . 0 0 "[ . 1 . 2]" 3
529 1 88 GLU H 1 89 MET QG . . 4.500 4.238 3.991 4.427 . 0 0 "[ . 1 . 2]" 3
530 1 89 MET QG 1 90 CYS H . . 3.960 3.421 2.789 3.580 . 0 0 "[ . 1 . 2]" 3
531 1 89 MET HA 1 89 MET QG . . 3.500 3.360 3.333 3.467 . 0 0 "[ . 1 . 2]" 3
532 1 86 HIS HA 1 89 MET QG . . 3.580 2.462 2.126 2.770 . 0 0 "[ . 1 . 2]" 3
533 1 85 GLU HA 1 89 MET QG . . 5.500 5.346 4.830 5.501 0.001 3 0 "[ . 1 . 2]" 3
534 1 88 GLU HA 1 89 MET QG . . 5.500 5.317 5.184 5.397 . 0 0 "[ . 1 . 2]" 3
535 1 18 VAL H 1 18 VAL HB . . 3.800 3.548 2.188 3.631 . 0 0 "[ . 1 . 2]" 3
536 1 18 VAL HB 1 19 ASN H . . 4.170 3.813 3.149 4.081 . 0 0 "[ . 1 . 2]" 3
537 1 48 PHE QD 1 50 SER HA . . 4.750 4.106 3.944 4.264 . 0 0 "[ . 1 . 2]" 3
538 1 15 SER H 1 15 SER HB3 . . 4.040 3.161 2.278 3.602 . 0 0 "[ . 1 . 2]" 3
539 1 42 LEU H 1 43 VAL HA . . 4.860 4.381 4.259 4.650 . 0 0 "[ . 1 . 2]" 3
540 1 14 HIS HB3 1 17 CYS HB2 . . 4.370 3.295 3.079 3.507 . 0 0 "[ . 1 . 2]" 3
541 1 14 HIS HA 1 33 ILE HA . . 4.580 4.365 3.655 4.693 0.113 9 0 "[ . 1 . 2]" 3
542 1 15 SER HB3 1 33 ILE HA . . 4.810 3.772 2.704 4.800 . 0 0 "[ . 1 . 2]" 3
543 1 15 SER HB2 1 33 ILE HA . . 4.810 3.383 2.197 4.483 . 0 0 "[ . 1 . 2]" 3
544 1 33 ILE HA 1 33 ILE HG12 . . 3.780 3.623 3.556 3.685 . 0 0 "[ . 1 . 2]" 3
545 1 33 ILE HA 1 33 ILE HG13 . . 3.650 2.382 2.263 2.500 . 0 0 "[ . 1 . 2]" 3
546 1 66 PRO HB3 1 70 SER HB2 . . 4.830 3.974 3.583 4.289 . 0 0 "[ . 1 . 2]" 3
547 1 57 ARG QB 1 60 CYS HB3 . . 5.140 4.120 3.796 4.911 . 0 0 "[ . 1 . 2]" 3
548 1 67 CYS H 1 70 SER HA . . 4.990 4.623 4.482 4.771 . 0 0 "[ . 1 . 2]" 3
549 1 67 CYS HB3 1 70 SER HA . . 4.410 3.360 3.109 3.726 . 0 0 "[ . 1 . 2]" 3
550 1 66 PRO HB3 1 70 SER HA . . 5.500 5.478 5.342 5.545 0.045 12 0 "[ . 1 . 2]" 3
551 1 66 PRO HB2 1 70 SER HA . . 4.460 4.125 3.932 4.259 . 0 0 "[ . 1 . 2]" 3
552 1 57 ARG QB 1 60 CYS HB2 . . 5.140 4.746 4.314 5.157 0.017 18 0 "[ . 1 . 2]" 3
553 1 57 ARG HA 1 60 CYS HB2 . . 5.120 2.813 2.218 3.192 . 0 0 "[ . 1 . 2]" 3
554 1 59 LEU H 1 60 CYS HB3 . . 5.380 4.637 4.358 4.755 . 0 0 "[ . 1 . 2]" 3
555 1 64 ARG HB3 1 65 VAL H . . 4.920 4.302 4.175 4.472 . 0 0 "[ . 1 . 2]" 3
556 1 64 ARG H 1 64 ARG HB3 . . 3.990 2.437 2.261 2.611 . 0 0 "[ . 1 . 2]" 3
557 1 64 ARG HB2 1 65 VAL H . . 4.920 4.228 4.047 4.396 . 0 0 "[ . 1 . 2]" 3
558 1 11 GLU H 1 11 GLU HB2 . . 3.480 2.765 2.366 3.521 0.041 7 0 "[ . 1 . 2]" 3
559 1 17 CYS HA 1 20 CYS HB2 . . 4.050 2.836 2.483 3.168 . 0 0 "[ . 1 . 2]" 3
560 1 11 GLU HB2 1 12 LEU H . . 4.310 4.103 2.860 4.301 . 0 0 "[ . 1 . 2]" 3
561 1 23 ARG HB2 1 23 ARG QD . . 3.880 2.502 2.078 3.279 . 0 0 "[ . 1 . 2]" 3
562 1 66 PRO HA 1 78 MET H . . 4.520 3.800 3.642 3.917 . 0 0 "[ . 1 . 2]" 3
563 1 66 PRO HA 1 77 THR HA . . 3.560 2.610 2.464 2.770 . 0 0 "[ . 1 . 2]" 3
564 1 66 PRO HA 1 77 THR HB . . 4.390 3.779 3.505 4.049 . 0 0 "[ . 1 . 2]" 3
565 1 15 SER HA 1 18 VAL HB . . 4.710 4.556 2.152 4.796 0.086 10 0 "[ . 1 . 2]" 3
566 1 16 HIS HD2 1 17 CYS HA . . 3.810 2.676 2.340 2.958 . 0 0 "[ . 1 . 2]" 3
567 1 17 CYS HA 1 20 CYS HB3 . . 3.670 2.060 1.994 2.149 . 0 0 "[ . 1 . 2]" 3
568 1 85 GLU H 1 85 GLU HB2 . . 3.590 2.562 2.174 3.533 . 0 0 "[ . 1 . 2]" 3
569 1 88 GLU HB2 1 89 MET H . . 4.240 2.819 2.477 4.115 . 0 0 "[ . 1 . 2]" 3
570 1 88 GLU H 1 88 GLU HB2 . . 3.610 2.711 2.391 3.591 . 0 0 "[ . 1 . 2]" 3
571 1 9 GLU HB2 1 9 GLU QG . . 2.790 2.333 2.158 2.464 . 0 0 "[ . 1 . 2]" 3
572 1 85 GLU H 1 85 GLU HB3 . . 3.590 3.050 2.221 3.603 0.013 10 0 "[ . 1 . 2]" 3
573 1 85 GLU HB3 1 86 HIS H . . 3.980 3.187 2.535 3.761 . 0 0 "[ . 1 . 2]" 3
574 1 88 GLU HB3 1 89 MET H . . 4.240 3.678 3.414 4.134 . 0 0 "[ . 1 . 2]" 3
575 1 9 GLU HB3 1 9 GLU QG . . 2.790 2.309 2.143 2.437 . 0 0 "[ . 1 . 2]" 3
576 1 13 GLN HB3 1 14 HIS H . . 4.050 3.318 1.948 4.055 0.005 6 0 "[ . 1 . 2]" 3
577 1 25 CYS HA 1 26 MET H . . 3.370 2.159 2.139 2.183 . 0 0 "[ . 1 . 2]" 3
578 1 67 CYS HA 1 69 ASN H . . 4.520 4.097 3.927 4.303 . 0 0 "[ . 1 . 2]" 3
579 1 67 CYS HA 1 68 LEU H . . 3.370 2.172 2.141 2.198 . 0 0 "[ . 1 . 2]" 3
580 1 66 PRO HA 1 67 CYS HA . . 4.800 4.323 4.314 4.328 . 0 0 "[ . 1 . 2]" 3
581 1 67 CYS HA 1 68 LEU HA . . 4.750 4.331 4.317 4.364 . 0 0 "[ . 1 . 2]" 3
582 1 67 CYS HA 1 68 LEU HB2 . . 4.720 4.398 4.320 4.512 . 0 0 "[ . 1 . 2]" 3
583 1 44 CYS HB2 1 61 PRO HG3 . . 4.840 4.344 3.775 4.804 . 0 0 "[ . 1 . 2]" 3
584 1 44 CYS HB2 1 62 PHE QE . . 4.700 3.842 3.261 4.212 . 0 0 "[ . 1 . 2]" 3
585 1 66 PRO HA 1 67 CYS HB2 . . 4.820 4.706 4.504 4.832 0.012 13 0 "[ . 1 . 2]" 3
586 1 61 PRO HA 1 80 ARG HB2 . . 4.520 2.440 1.989 3.374 . 0 0 "[ . 1 . 2]" 3
587 1 28 ARG HB3 1 29 PRO HD3 . . 5.280 4.933 4.493 5.109 . 0 0 "[ . 1 . 2]" 3
588 1 28 ARG HB2 1 29 PRO HD2 . . 4.570 4.120 3.773 4.461 . 0 0 "[ . 1 . 2]" 3
589 1 28 ARG HB2 1 29 PRO HD3 . . 5.280 4.882 4.662 5.123 . 0 0 "[ . 1 . 2]" 3
590 1 25 CYS HB2 1 37 LEU MD1 . . 4.430 3.385 3.143 3.608 . 0 0 "[ . 1 . 2]" 3
591 1 25 CYS HB3 1 26 MET H . . 4.950 4.413 4.281 4.575 . 0 0 "[ . 1 . 2]" 3
592 1 25 CYS HB2 1 37 LEU MD2 . . 5.100 4.567 4.130 4.867 . 0 0 "[ . 1 . 2]" 3
593 1 78 MET H 1 78 MET HG3 . . 4.380 4.172 4.101 4.237 . 0 0 "[ . 1 . 2]" 3
594 1 78 MET HG3 1 83 VAL H . . 4.880 3.733 3.125 4.322 . 0 0 "[ . 1 . 2]" 3
595 1 65 VAL MG2 1 78 MET HG3 . . 5.280 5.182 4.941 5.290 0.010 16 0 "[ . 1 . 2]" 3
596 1 78 MET H 1 78 MET HG2 . . 3.780 2.691 2.611 2.785 . 0 0 "[ . 1 . 2]" 3
597 1 40 CYS H 1 47 VAL HA . . 4.240 3.456 3.245 3.698 . 0 0 "[ . 1 . 2]" 3
598 1 39 GLY HA2 1 47 VAL HA . . 4.100 2.508 2.298 2.828 . 0 0 "[ . 1 . 2]" 3
599 1 46 ALA MB 1 47 VAL HA . . 4.720 4.176 4.083 4.299 . 0 0 "[ . 1 . 2]" 3
600 1 20 CYS HB3 1 49 HIS HD2 . . 4.010 2.957 2.845 3.075 . 0 0 "[ . 1 . 2]" 3
601 1 19 ASN H 1 20 CYS HB3 . . 4.800 4.317 4.103 4.587 . 0 0 "[ . 1 . 2]" 3
602 1 52 LYS HA 1 55 GLU QB . . 3.950 3.336 2.917 3.803 . 0 0 "[ . 1 . 2]" 3
603 1 52 LYS QD 1 55 GLU QB . . 3.740 3.599 3.352 3.772 0.032 19 0 "[ . 1 . 2]" 3
604 1 47 VAL HA 1 48 PHE QD . . 4.560 3.760 3.510 3.988 . 0 0 "[ . 1 . 2]" 3
605 1 49 HIS H 1 52 LYS QD . . 5.240 4.921 4.673 5.196 . 0 0 "[ . 1 . 2]" 3
606 1 20 CYS H 1 52 LYS QD . . 5.500 5.293 4.835 5.514 0.014 3 0 "[ . 1 . 2]" 3
607 1 49 HIS HD2 1 52 LYS QD . . 5.500 5.117 4.739 5.457 . 0 0 "[ . 1 . 2]" 3
608 1 52 LYS HA 1 52 LYS QD . . 3.210 2.122 1.973 2.319 . 0 0 "[ . 1 . 2]" 3
609 1 18 VAL HA 1 52 LYS QD . . 4.400 3.623 2.579 4.180 . 0 0 "[ . 1 . 2]" 3
610 1 17 CYS HB3 1 52 LYS QD . . 4.350 3.445 2.433 4.337 . 0 0 "[ . 1 . 2]" 3
611 1 52 LYS HB2 1 52 LYS QD . . 3.610 3.317 3.278 3.401 . 0 0 "[ . 1 . 2]" 3
612 1 20 CYS HA 1 21 VAL H . . 3.190 2.166 2.139 2.241 . 0 0 "[ . 1 . 2]" 3
613 1 17 CYS HA 1 52 LYS QD . . 5.500 4.982 4.150 5.398 . 0 0 "[ . 1 . 2]" 3
614 1 17 CYS HB2 1 52 LYS QD . . 4.620 4.040 2.950 4.614 . 0 0 "[ . 1 . 2]" 3
615 1 52 LYS HB3 1 52 LYS QD . . 3.610 2.339 2.170 2.541 . 0 0 "[ . 1 . 2]" 3
616 1 80 ARG HA 1 83 VAL HB . . 4.860 4.006 3.161 4.820 . 0 0 "[ . 1 . 2]" 3
617 1 79 ALA HA 1 80 ARG HA . . 4.810 4.311 4.303 4.338 . 0 0 "[ . 1 . 2]" 3
618 1 80 ARG HA 1 80 ARG HG2 . . 4.050 2.903 2.191 3.730 . 0 0 "[ . 1 . 2]" 3
619 1 80 ARG HA 1 80 ARG HG3 . . 4.050 2.838 2.255 3.694 . 0 0 "[ . 1 . 2]" 3
620 1 69 ASN HD21 1 90 CYS HB3 . . 5.210 4.411 3.844 4.866 . 0 0 "[ . 1 . 2]" 3
621 1 89 MET H 1 90 CYS HB3 . . 4.590 4.415 4.121 4.542 . 0 0 "[ . 1 . 2]" 3
622 1 76 PHE HA 1 76 PHE QD . . 4.090 2.969 2.801 3.075 . 0 0 "[ . 1 . 2]" 3
623 1 80 ARG HA 1 83 VAL H . . 4.780 3.559 3.224 4.290 . 0 0 "[ . 1 . 2]" 3
624 1 14 HIS HE1 1 51 CYS HB2 . . 4.350 4.146 3.827 4.353 0.003 16 0 "[ . 1 . 2]" 3
625 1 51 CYS H 1 51 CYS HB2 . . 4.090 3.586 3.572 3.607 . 0 0 "[ . 1 . 2]" 3
626 1 57 ARG HA 1 60 CYS H . . 4.410 3.538 3.193 3.774 . 0 0 "[ . 1 . 2]" 3
627 1 57 ARG HA 1 57 ARG QD . . 4.580 4.137 3.114 4.457 . 0 0 "[ . 1 . 2]" 3
628 1 57 ARG HA 1 57 ARG HG3 . . 3.920 3.238 2.303 3.745 . 0 0 "[ . 1 . 2]" 3
629 1 56 HIS HD2 1 57 ARG HA . . 4.170 2.893 2.559 3.415 . 0 0 "[ . 1 . 2]" 3
630 1 57 ARG HA 1 59 LEU H . . 4.820 4.376 3.994 4.626 . 0 0 "[ . 1 . 2]" 3
631 1 57 ARG HA 1 63 GLU QG . . 3.770 3.534 3.234 3.792 0.022 20 0 "[ . 1 . 2]" 3
632 1 57 ARG HA 1 60 CYS HB3 . . 4.150 2.421 2.121 3.102 . 0 0 "[ . 1 . 2]" 3
633 1 57 ARG HA 1 57 ARG HG2 . . 3.920 3.127 2.202 3.887 . 0 0 "[ . 1 . 2]" 3
634 1 29 PRO HG3 1 36 ASP H . . 4.680 4.378 3.829 4.672 . 0 0 "[ . 1 . 2]" 3
635 1 29 PRO HG3 1 36 ASP HA . . 3.860 3.277 3.112 3.377 . 0 0 "[ . 1 . 2]" 3
636 1 82 LYS HA 1 82 LYS HD2 . . 3.510 2.825 2.016 3.421 . 0 0 "[ . 1 . 2]" 3
637 1 82 LYS H 1 82 LYS HD3 . . 5.020 4.202 2.473 5.063 0.043 10 0 "[ . 1 . 2]" 3
638 1 82 LYS HA 1 82 LYS HD3 . . 3.510 2.805 2.143 3.505 . 0 0 "[ . 1 . 2]" 3
639 1 56 HIS HA 1 59 LEU HB2 . . 4.080 3.538 3.128 3.873 . 0 0 "[ . 1 . 2]" 3
640 1 56 HIS HA 1 59 LEU MD1 . . 4.650 2.705 2.020 4.636 . 0 0 "[ . 1 . 2]" 3
641 1 29 PRO HG2 1 36 ASP H . . 5.370 5.076 4.706 5.327 . 0 0 "[ . 1 . 2]" 3
642 1 29 PRO HG3 1 37 LEU H . . 5.180 5.086 4.834 5.201 0.021 12 0 "[ . 1 . 2]" 3
643 1 82 LYS H 1 82 LYS HD2 . . 5.020 4.644 3.528 5.097 0.077 14 0 "[ . 1 . 2]" 3
644 1 64 ARG H 1 64 ARG HG3 . . 4.820 4.483 4.411 4.579 . 0 0 "[ . 1 . 2]" 3
645 1 64 ARG H 1 64 ARG HG2 . . 4.820 4.421 4.248 4.609 . 0 0 "[ . 1 . 2]" 3
646 1 64 ARG HA 1 64 ARG HG2 . . 4.180 3.374 2.904 3.824 . 0 0 "[ . 1 . 2]" 3
647 1 38 ILE HA 1 39 GLY HA2 . . 4.450 4.344 4.336 4.365 . 0 0 "[ . 1 . 2]" 3
648 1 42 LEU H 1 42 LEU HG . . 4.090 3.027 2.655 3.235 . 0 0 "[ . 1 . 2]" 3
649 1 42 LEU HA 1 42 LEU HG . . 4.030 2.929 2.607 3.179 . 0 0 "[ . 1 . 2]" 3
650 1 38 ILE HA 1 38 ILE MD . . 3.910 3.650 3.567 3.782 . 0 0 "[ . 1 . 2]" 3
651 1 38 ILE HA 1 47 VAL MG1 . . 4.890 4.069 3.617 4.378 . 0 0 "[ . 1 . 2]" 3
652 1 44 CYS HA 1 62 PHE HZ . . 4.310 3.469 2.940 3.755 . 0 0 "[ . 1 . 2]" 3
653 1 16 HIS HA 1 19 ASN H . . 4.660 3.667 3.625 3.735 . 0 0 "[ . 1 . 2]" 3
654 1 55 GLU HA 1 57 ARG H . . 4.620 4.515 3.755 4.652 0.032 3 0 "[ . 1 . 2]" 3
655 1 55 GLU HA 1 58 LEU H . . 4.300 3.661 3.481 3.779 . 0 0 "[ . 1 . 2]" 3
656 1 55 GLU HA 1 55 GLU HG2 . . 3.950 2.920 2.336 4.240 0.290 19 0 "[ . 1 . 2]" 3
657 1 55 GLU HA 1 58 LEU HG . . 3.750 2.841 2.505 3.445 . 0 0 "[ . 1 . 2]" 3
658 1 55 GLU HA 1 58 LEU HB3 . . 5.500 5.006 4.798 5.166 . 0 0 "[ . 1 . 2]" 3
659 1 41 PRO HG3 1 42 LEU HG . . 4.720 4.447 4.235 4.750 0.030 10 0 "[ . 1 . 2]" 3
660 1 68 LEU HG 1 69 ASN H . . 4.930 4.739 4.562 4.838 . 0 0 "[ . 1 . 2]" 3
661 1 68 LEU H 1 68 LEU HG . . 3.880 2.647 2.361 2.806 . 0 0 "[ . 1 . 2]" 3
662 1 67 CYS HA 1 68 LEU HG . . 4.640 4.525 4.231 4.632 . 0 0 "[ . 1 . 2]" 3
663 1 68 LEU HB2 1 68 LEU HG . . 2.900 2.510 2.462 2.619 . 0 0 "[ . 1 . 2]" 3
664 1 23 ARG QG 1 47 VAL H . . 4.880 2.869 1.888 4.676 . 0 0 "[ . 1 . 2]" 3
665 1 23 ARG HA 1 23 ARG QG . . 3.410 2.685 2.176 3.409 . 0 0 "[ . 1 . 2]" 3
666 1 23 ARG HB2 1 23 ARG QG . . 2.770 2.363 2.159 2.476 . 0 0 "[ . 1 . 2]" 3
667 1 23 ARG HB3 1 23 ARG QG . . 2.770 2.300 2.141 2.475 . 0 0 "[ . 1 . 2]" 3
668 1 23 ARG QG 1 47 VAL MG2 . . 4.800 3.553 2.522 4.786 . 0 0 "[ . 1 . 2]" 3
669 1 57 ARG H 1 57 ARG HG2 . . 3.940 3.154 2.531 3.924 . 0 0 "[ . 1 . 2]" 3
670 1 51 CYS HA 1 53 ALA H . . 4.500 4.191 3.602 4.460 . 0 0 "[ . 1 . 2]" 3
671 1 14 HIS HE1 1 51 CYS HA . . 5.320 5.187 4.844 5.336 0.016 16 0 "[ . 1 . 2]" 3
672 1 86 HIS HA 1 89 MET ME . . 4.230 3.292 2.323 4.184 . 0 0 "[ . 1 . 2]" 3
673 1 41 PRO HG3 1 42 LEU H . . 4.730 4.464 3.925 4.640 . 0 0 "[ . 1 . 2]" 3
674 1 41 PRO HG2 1 42 LEU H . . 4.650 3.145 2.428 3.376 . 0 0 "[ . 1 . 2]" 3
675 1 85 GLU HA 1 87 LEU H . . 4.830 4.569 4.134 4.782 . 0 0 "[ . 1 . 2]" 3
676 1 84 ALA MB 1 85 GLU HA . . 4.650 3.665 3.541 3.825 . 0 0 "[ . 1 . 2]" 3
677 1 65 VAL HA 1 66 PRO HG3 . . 4.680 4.404 4.380 4.428 . 0 0 "[ . 1 . 2]" 3
678 1 66 PRO HG3 1 77 THR MG . . 4.640 4.566 4.309 4.656 0.016 6 0 "[ . 1 . 2]" 3
679 1 66 PRO HG2 1 77 THR MG . . 5.180 5.006 4.806 5.096 . 0 0 "[ . 1 . 2]" 3
680 1 33 ILE HG12 1 34 SER H . . 4.890 4.582 4.390 4.776 . 0 0 "[ . 1 . 2]" 3
681 1 33 ILE H 1 33 ILE HG12 . . 4.020 3.832 3.699 4.034 0.014 5 0 "[ . 1 . 2]" 3
682 1 37 LEU HG 1 38 ILE H . . 4.690 4.451 4.286 4.557 . 0 0 "[ . 1 . 2]" 3
683 1 37 LEU H 1 37 LEU HG . . 3.720 3.330 3.093 3.556 . 0 0 "[ . 1 . 2]" 3
684 1 37 LEU HG 1 49 HIS HE1 . . 4.470 3.168 2.887 3.431 . 0 0 "[ . 1 . 2]" 3
685 1 37 LEU HA 1 37 LEU HG . . 4.190 2.598 2.521 2.665 . 0 0 "[ . 1 . 2]" 3
686 1 91 PRO HG3 1 92 ALA H . . 4.940 3.633 3.528 3.781 . 0 0 "[ . 1 . 2]" 3
687 1 76 PHE QE 1 91 PRO HG3 . . 4.460 3.299 2.688 3.741 . 0 0 "[ . 1 . 2]" 3
688 1 66 PRO HG2 1 67 CYS H . . 4.770 4.778 4.698 4.807 0.037 17 0 "[ . 1 . 2]" 3
689 1 24 ARG H 1 24 ARG HG2 . . 4.750 3.716 2.424 4.728 . 0 0 "[ . 1 . 2]" 3
690 1 24 ARG HA 1 24 ARG HG2 . . 3.770 3.183 2.422 3.673 . 0 0 "[ . 1 . 2]" 3
691 1 38 ILE H 1 49 HIS HA . . 4.290 3.214 2.999 3.456 . 0 0 "[ . 1 . 2]" 3
692 1 49 HIS HA 1 51 CYS H . . 4.770 4.045 3.864 4.160 . 0 0 "[ . 1 . 2]" 3
693 1 49 HIS HA 1 50 SER H . . 3.300 2.165 2.147 2.206 . 0 0 "[ . 1 . 2]" 3
694 1 37 LEU HA 1 49 HIS HA . . 3.610 2.164 2.055 2.297 . 0 0 "[ . 1 . 2]" 3
695 1 88 GLU HA 1 88 GLU HG2 . . 3.930 2.800 2.304 3.928 . 0 0 "[ . 1 . 2]" 3
696 1 58 LEU HG 1 59 LEU H . . 5.500 4.290 4.015 5.164 . 0 0 "[ . 1 . 2]" 3
697 1 58 LEU HA 1 58 LEU HG . . 4.070 3.089 2.868 3.771 . 0 0 "[ . 1 . 2]" 3
698 1 12 LEU H 1 12 LEU HG . . 4.050 2.912 1.932 4.039 . 0 0 "[ . 1 . 2]" 3
699 1 69 ASN HD21 1 93 SER HA . . 4.350 3.897 3.085 4.307 . 0 0 "[ . 1 . 2]" 3
700 1 69 ASN HD22 1 93 SER HA . . 4.350 3.642 3.087 4.344 . 0 0 "[ . 1 . 2]" 3
701 1 92 ALA MB 1 93 SER HA . . 4.710 3.842 3.687 4.169 . 0 0 "[ . 1 . 2]" 3
702 1 93 SER HA 1 94 VAL MG1 . . 4.870 4.297 3.657 4.591 . 0 0 "[ . 1 . 2]" 3
703 1 60 CYS HA 1 61 PRO HD2 . . 3.620 2.057 1.959 2.109 . 0 0 "[ . 1 . 2]" 3
704 1 60 CYS HA 1 61 PRO HG3 . . 4.620 4.324 4.315 4.334 . 0 0 "[ . 1 . 2]" 3
705 1 60 CYS HA 1 62 PHE H . . 4.870 3.919 3.464 4.304 . 0 0 "[ . 1 . 2]" 3
706 1 59 LEU H 1 60 CYS HA . . 5.100 5.028 4.707 5.138 0.038 6 0 "[ . 1 . 2]" 3
707 1 60 CYS HA 1 61 PRO HG2 . . 4.810 4.239 4.160 4.280 . 0 0 "[ . 1 . 2]" 3
708 1 58 LEU H 1 58 LEU HG . . 3.960 2.205 1.896 3.888 . 0 0 "[ . 1 . 2]" 3
709 1 28 ARG H 1 28 ARG QG . . 3.960 3.806 2.793 4.018 0.058 1 0 "[ . 1 . 2]" 3
710 1 28 ARG HA 1 28 ARG QG . . 3.580 2.429 2.183 2.928 . 0 0 "[ . 1 . 2]" 3
711 1 28 ARG QG 1 29 PRO HD3 . . 4.180 3.868 3.646 4.194 0.014 12 0 "[ . 1 . 2]" 3
712 1 27 THR MG 1 28 ARG QG . . 4.840 4.649 4.292 4.822 . 0 0 "[ . 1 . 2]" 3
713 1 28 ARG QG 1 29 PRO HG2 . . 4.830 3.950 3.653 4.868 0.038 2 0 "[ . 1 . 2]" 3
714 1 44 CYS HB2 1 61 PRO HG2 . . 4.380 3.160 2.630 3.718 . 0 0 "[ . 1 . 2]" 3
715 1 44 CYS HB3 1 61 PRO HG2 . . 4.980 4.601 4.077 4.920 . 0 0 "[ . 1 . 2]" 3
716 1 94 VAL HB 1 95 SER HA . . 5.140 4.829 4.473 5.137 . 0 0 "[ . 1 . 2]" 3
717 1 94 VAL MG2 1 95 SER HA . . 4.240 3.783 3.216 4.209 . 0 0 "[ . 1 . 2]" 3
718 1 83 VAL HA 1 87 LEU HG . . 5.450 4.281 3.895 4.457 . 0 0 "[ . 1 . 2]" 3
719 1 59 LEU HG 1 60 CYS H . . 4.840 4.196 3.673 4.836 . 0 0 "[ . 1 . 2]" 3
720 1 68 LEU HA 1 68 LEU HG . . 3.690 2.742 2.540 2.844 . 0 0 "[ . 1 . 2]" 3
721 1 86 HIS HE1 1 90 CYS HA . . 4.190 3.022 2.707 3.690 . 0 0 "[ . 1 . 2]" 3
722 1 59 LEU H 1 59 LEU HG . . 3.940 2.537 1.907 4.027 0.087 18 0 "[ . 1 . 2]" 3
723 1 56 HIS HA 1 59 LEU HG . . 5.180 3.924 2.761 5.138 . 0 0 "[ . 1 . 2]" 3
724 1 90 CYS HA 1 91 PRO HG2 . . 4.390 4.300 4.207 4.346 . 0 0 "[ . 1 . 2]" 3
725 1 87 LEU HA 1 90 CYS HB3 . . 3.640 2.029 1.990 2.161 . 0 0 "[ . 1 . 2]" 3
726 1 87 LEU HA 1 90 CYS HB2 . . 3.540 2.384 2.188 2.633 . 0 0 "[ . 1 . 2]" 3
727 1 87 LEU HA 1 87 LEU HG . . 3.940 2.833 2.769 3.007 . 0 0 "[ . 1 . 2]" 3
728 1 54 ASP HA 1 57 ARG H . . 4.410 4.221 3.874 4.431 0.021 15 0 "[ . 1 . 2]" 3
729 1 54 ASP HA 1 57 ARG QB . . 3.790 3.641 3.364 3.811 0.021 3 0 "[ . 1 . 2]" 3
730 1 53 ALA MB 1 54 ASP HA . . 3.910 3.746 3.671 3.956 0.046 19 0 "[ . 1 . 2]" 3
731 1 40 CYS HA 1 56 HIS HD2 . . 4.670 4.457 4.255 4.673 0.003 20 0 "[ . 1 . 2]" 3
732 1 40 CYS HA 1 48 PHE HZ . . 3.690 2.063 1.992 2.270 . 0 0 "[ . 1 . 2]" 3
733 1 40 CYS HA 1 48 PHE QE . . 3.980 3.078 2.876 3.309 . 0 0 "[ . 1 . 2]" 3
734 1 40 CYS HA 1 41 PRO HD3 . . 3.460 2.255 2.252 2.257 . 0 0 "[ . 1 . 2]" 3
735 1 40 CYS HA 1 41 PRO HG3 . . 4.490 4.340 4.337 4.352 . 0 0 "[ . 1 . 2]" 3
736 1 54 ASP HA 1 56 HIS H . . 5.110 4.833 4.398 5.121 0.011 8 0 "[ . 1 . 2]" 3
737 1 23 ARG HA 1 47 VAL MG2 . . 4.890 4.589 3.929 4.882 . 0 0 "[ . 1 . 2]" 3
738 1 42 LEU H 1 42 LEU MD1 . . 4.300 3.759 2.013 4.104 . 0 0 "[ . 1 . 2]" 3
739 1 42 LEU MD1 1 62 PHE QD . . 4.620 3.612 3.171 4.302 . 0 0 "[ . 1 . 2]" 3
740 1 42 LEU HA 1 42 LEU MD1 . . 4.000 3.867 3.535 3.919 . 0 0 "[ . 1 . 2]" 3
741 1 42 LEU HB3 1 42 LEU MD1 . . 3.460 2.518 2.372 3.115 . 0 0 "[ . 1 . 2]" 3
742 1 87 LEU H 1 87 LEU MD1 . . 3.990 3.605 3.521 3.720 . 0 0 "[ . 1 . 2]" 3
743 1 87 LEU MD1 1 88 GLU H . . 4.670 4.573 4.310 4.681 0.011 9 0 "[ . 1 . 2]" 3
744 1 69 ASN HD22 1 87 LEU MD1 . . 4.850 4.119 3.631 4.680 . 0 0 "[ . 1 . 2]" 3
745 1 84 ALA HA 1 87 LEU MD1 . . 3.750 2.266 1.988 2.571 . 0 0 "[ . 1 . 2]" 3
746 1 87 LEU HB2 1 87 LEU MD1 . . 3.280 2.193 2.116 2.338 . 0 0 "[ . 1 . 2]" 3
747 1 68 LEU HB3 1 87 LEU MD1 . . 4.420 4.036 3.631 4.269 . 0 0 "[ . 1 . 2]" 3
748 1 68 LEU HG 1 87 LEU MD1 . . 4.650 3.651 3.290 4.317 . 0 0 "[ . 1 . 2]" 3
749 1 68 LEU HB2 1 87 LEU MD1 . . 3.960 3.096 2.592 3.335 . 0 0 "[ . 1 . 2]" 3
750 1 87 LEU HB3 1 87 LEU MD1 . . 3.280 2.447 2.365 2.517 . 0 0 "[ . 1 . 2]" 3
751 1 69 ASN HD21 1 87 LEU MD1 . . 4.850 4.597 4.238 4.834 . 0 0 "[ . 1 . 2]" 3
752 1 10 GLU HA 1 11 GLU H . . 2.750 2.249 2.142 2.520 . 0 0 "[ . 1 . 2]" 3
753 1 59 LEU H 1 59 LEU MD1 . . 4.320 2.838 1.856 3.682 . 0 0 "[ . 1 . 2]" 3
754 1 59 LEU HB2 1 59 LEU MD1 . . 3.410 2.214 2.004 3.187 . 0 0 "[ . 1 . 2]" 3
755 1 11 GLU HA 1 11 GLU HG2 . . 4.230 3.288 2.772 3.809 . 0 0 "[ . 1 . 2]" 3
756 1 11 GLU HA 1 11 GLU HG3 . . 4.230 2.686 2.329 3.598 . 0 0 "[ . 1 . 2]" 3
757 1 11 GLU HA 1 12 LEU HG . . 5.450 4.220 3.630 5.441 . 0 0 "[ . 1 . 2]" 3
758 1 63 GLU HA 1 64 ARG H . . 3.270 2.186 2.151 2.245 . 0 0 "[ . 1 . 2]" 3
759 1 12 LEU HA 1 12 LEU MD1 . . 4.290 3.740 2.236 3.983 . 0 0 "[ . 1 . 2]" 3
760 1 58 LEU MD1 1 59 LEU H . . 4.840 4.310 3.962 4.780 . 0 0 "[ . 1 . 2]" 3
761 1 58 LEU H 1 58 LEU MD1 . . 3.650 3.471 3.300 3.741 0.091 20 0 "[ . 1 . 2]" 3
762 1 58 LEU HA 1 58 LEU MD1 . . 3.990 3.826 2.105 3.967 . 0 0 "[ . 1 . 2]" 3
763 1 55 GLU HA 1 58 LEU MD1 . . 4.430 2.188 1.936 4.429 . 0 0 "[ . 1 . 2]" 3
764 1 38 ILE HG13 1 48 PHE QE . . 4.990 4.824 4.584 4.983 . 0 0 "[ . 1 . 2]" 3
765 1 38 ILE HG13 1 50 SER HA . . 4.530 2.372 2.049 2.889 . 0 0 "[ . 1 . 2]" 3
766 1 38 ILE HG13 1 48 PHE QD . . 4.980 4.144 3.905 4.342 . 0 0 "[ . 1 . 2]" 3
767 1 37 LEU HA 1 38 ILE HG13 . . 4.310 3.635 3.369 3.782 . 0 0 "[ . 1 . 2]" 3
768 1 59 LEU HA 1 59 LEU MD1 . . 4.770 3.642 1.986 3.962 . 0 0 "[ . 1 . 2]" 3
769 1 68 LEU MD1 1 69 ASN H . . 5.000 4.520 4.357 4.675 . 0 0 "[ . 1 . 2]" 3
770 1 68 LEU H 1 68 LEU MD1 . . 4.190 3.631 3.352 3.784 . 0 0 "[ . 1 . 2]" 3
771 1 68 LEU HA 1 68 LEU MD1 . . 3.950 3.826 3.805 3.865 . 0 0 "[ . 1 . 2]" 3
772 1 63 GLU HA 1 64 ARG HA . . 4.620 4.334 4.315 4.356 . 0 0 "[ . 1 . 2]" 3
773 1 37 LEU MD1 1 38 ILE H . . 4.900 4.765 4.588 4.859 . 0 0 "[ . 1 . 2]" 3
774 1 37 LEU MD1 1 49 HIS HE1 . . 3.900 3.611 3.287 3.853 . 0 0 "[ . 1 . 2]" 3
775 1 25 CYS H 1 37 LEU MD1 . . 4.170 2.701 2.393 2.936 . 0 0 "[ . 1 . 2]" 3
776 1 25 CYS HB3 1 37 LEU MD1 . . 3.620 1.967 1.805 2.216 . 0 0 "[ . 1 . 2]" 3
777 1 37 LEU MD1 1 47 VAL HB . . 4.590 4.363 4.092 4.578 . 0 0 "[ . 1 . 2]" 3
778 1 64 ARG HA 1 65 VAL H . . 3.370 2.148 2.140 2.163 . 0 0 "[ . 1 . 2]" 3
779 1 64 ARG HA 1 79 ALA HA . . 3.710 2.946 2.693 3.120 . 0 0 "[ . 1 . 2]" 3
780 1 64 ARG HA 1 64 ARG HG3 . . 4.180 2.687 2.451 2.972 . 0 0 "[ . 1 . 2]" 3
781 1 64 ARG HA 1 65 VAL MG2 . . 4.190 3.916 3.819 4.013 . 0 0 "[ . 1 . 2]" 3
782 1 48 PHE HZ 1 53 ALA HA . . 4.550 4.152 3.970 4.368 . 0 0 "[ . 1 . 2]" 3
783 1 48 PHE QD 1 53 ALA HA . . 4.220 2.298 2.061 2.855 . 0 0 "[ . 1 . 2]" 3
784 1 48 PHE QE 1 53 ALA HA . . 3.530 2.301 2.086 2.588 . 0 0 "[ . 1 . 2]" 3
785 1 53 ALA HA 1 56 HIS HB3 . . 4.260 2.098 1.999 2.398 . 0 0 "[ . 1 . 2]" 3
786 1 53 ALA HA 1 56 HIS HB2 . . 4.260 3.374 2.765 3.813 . 0 0 "[ . 1 . 2]" 3
787 1 52 LYS HA 1 52 LYS HG3 . . 3.940 3.750 3.709 3.796 . 0 0 "[ . 1 . 2]" 3
788 1 52 LYS HA 1 52 LYS HG2 . . 3.940 2.885 2.751 3.015 . 0 0 "[ . 1 . 2]" 3
789 1 84 ALA HA 1 87 LEU HG . . 4.980 3.387 2.966 3.822 . 0 0 "[ . 1 . 2]" 3
790 1 36 ASP HA 1 37 LEU H . . 2.910 2.298 2.197 2.403 . 0 0 "[ . 1 . 2]" 3
791 1 29 PRO HG2 1 36 ASP HA . . 4.820 4.756 4.567 4.837 0.017 15 0 "[ . 1 . 2]" 3
792 1 29 PRO HB2 1 36 ASP HA . . 4.670 3.860 3.620 4.220 . 0 0 "[ . 1 . 2]" 3
793 1 82 LYS H 1 82 LYS HG3 . . 4.720 4.112 3.555 4.450 . 0 0 "[ . 1 . 2]" 3
794 1 82 LYS HA 1 82 LYS HG3 . . 4.020 3.239 2.287 3.813 . 0 0 "[ . 1 . 2]" 3
795 1 43 VAL H 1 43 VAL MG2 . . 3.580 3.302 3.258 3.345 . 0 0 "[ . 1 . 2]" 3
796 1 43 VAL MG2 1 45 GLY H . . 4.690 4.668 4.570 4.702 0.012 10 0 "[ . 1 . 2]" 3
797 1 43 VAL MG2 1 62 PHE QE . . 4.400 2.505 2.175 2.815 . 0 0 "[ . 1 . 2]" 3
798 1 43 VAL MG2 1 44 CYS H . . 4.010 3.621 3.572 3.647 . 0 0 "[ . 1 . 2]" 3
799 1 43 VAL MG2 1 62 PHE QD . . 4.720 3.442 3.157 3.778 . 0 0 "[ . 1 . 2]" 3
800 1 42 LEU HA 1 43 VAL MG2 . . 4.220 3.347 3.302 3.385 . 0 0 "[ . 1 . 2]" 3
801 1 43 VAL MG2 1 44 CYS HA . . 4.700 3.579 3.523 3.615 . 0 0 "[ . 1 . 2]" 3
802 1 43 VAL HA 1 43 VAL MG2 . . 3.190 3.196 3.193 3.198 0.008 9 0 "[ . 1 . 2]" 3
803 1 87 LEU H 1 87 LEU MD2 . . 3.880 3.685 3.390 3.859 . 0 0 "[ . 1 . 2]" 3
804 1 69 ASN HD21 1 87 LEU MD2 . . 3.600 2.380 2.210 2.571 . 0 0 "[ . 1 . 2]" 3
805 1 69 ASN HD22 1 87 LEU MD2 . . 3.600 2.064 1.811 2.361 . 0 0 "[ . 1 . 2]" 3
806 1 68 LEU H 1 87 LEU MD2 . . 3.940 3.389 2.572 3.836 . 0 0 "[ . 1 . 2]" 3
807 1 84 ALA HA 1 87 LEU MD2 . . 4.860 4.533 4.183 4.849 . 0 0 "[ . 1 . 2]" 3
808 1 87 LEU HA 1 87 LEU MD2 . . 2.940 1.999 1.965 2.084 . 0 0 "[ . 1 . 2]" 3
809 1 87 LEU MD2 1 90 CYS HB3 . . 3.790 2.888 2.676 3.018 . 0 0 "[ . 1 . 2]" 3
810 1 87 LEU MD2 1 90 CYS HB2 . . 3.680 3.467 3.277 3.651 . 0 0 "[ . 1 . 2]" 3
811 1 87 LEU HB2 1 87 LEU MD2 . . 3.380 3.182 3.175 3.191 . 0 0 "[ . 1 . 2]" 3
812 1 68 LEU HB3 1 87 LEU MD2 . . 4.080 3.680 3.407 4.043 . 0 0 "[ . 1 . 2]" 3
813 1 68 LEU HB2 1 87 LEU MD2 . . 3.590 2.465 2.166 2.880 . 0 0 "[ . 1 . 2]" 3
814 1 87 LEU HB3 1 87 LEU MD2 . . 3.380 2.339 2.293 2.360 . 0 0 "[ . 1 . 2]" 3
815 1 13 GLN HA 1 14 HIS H . . 2.860 2.460 2.225 2.649 . 0 0 "[ . 1 . 2]" 3
816 1 13 GLN HA 1 14 HIS HD2 . . 5.480 5.138 3.492 5.494 0.014 13 0 "[ . 1 . 2]" 3
817 1 13 GLN HA 1 13 GLN HG3 . . 3.900 3.528 2.471 3.864 . 0 0 "[ . 1 . 2]" 3
818 1 82 LYS H 1 82 LYS HG2 . . 4.720 3.752 2.573 4.772 0.052 12 0 "[ . 1 . 2]" 3
819 1 69 ASN H 1 87 LEU MD2 . . 4.330 3.198 2.903 3.570 . 0 0 "[ . 1 . 2]" 3
820 1 68 LEU MD2 1 69 ASN H . . 4.980 4.648 4.518 4.757 . 0 0 "[ . 1 . 2]" 3
821 1 68 LEU H 1 68 LEU MD2 . . 4.180 3.757 3.588 3.959 . 0 0 "[ . 1 . 2]" 3
822 1 68 LEU HA 1 68 LEU MD2 . . 2.950 2.077 1.972 2.428 . 0 0 "[ . 1 . 2]" 3
823 1 12 LEU HA 1 13 GLN HA . . 4.620 4.339 4.294 4.443 . 0 0 "[ . 1 . 2]" 3
824 1 12 LEU HA 1 12 LEU HG . . 3.750 3.252 2.723 3.737 . 0 0 "[ . 1 . 2]" 3
825 1 12 LEU MD2 1 13 GLN H . . 4.220 3.561 2.649 4.217 . 0 0 "[ . 1 . 2]" 3
826 1 12 LEU HA 1 12 LEU MD2 . . 4.290 2.698 1.982 4.076 . 0 0 "[ . 1 . 2]" 3
827 1 37 LEU MD2 1 49 HIS H . . 3.560 2.530 2.338 2.733 . 0 0 "[ . 1 . 2]" 3
828 1 37 LEU MD2 1 38 ILE H . . 3.800 2.713 2.512 2.954 . 0 0 "[ . 1 . 2]" 3
829 1 37 LEU MD2 1 48 PHE H . . 3.500 3.289 2.967 3.488 . 0 0 "[ . 1 . 2]" 3
830 1 25 CYS H 1 37 LEU MD2 . . 4.510 4.017 3.606 4.298 . 0 0 "[ . 1 . 2]" 3
831 1 37 LEU MD2 1 49 HIS HD2 . . 4.280 3.003 2.736 3.315 . 0 0 "[ . 1 . 2]" 3
832 1 37 LEU MD2 1 48 PHE HA . . 3.680 2.522 2.319 2.665 . 0 0 "[ . 1 . 2]" 3
833 1 37 LEU MD2 1 49 HIS HA . . 3.520 2.168 1.961 2.647 . 0 0 "[ . 1 . 2]" 3
834 1 37 LEU HA 1 37 LEU MD2 . . 3.250 2.319 2.101 2.549 . 0 0 "[ . 1 . 2]" 3
835 1 25 CYS HB3 1 37 LEU MD2 . . 3.580 3.232 2.924 3.472 . 0 0 "[ . 1 . 2]" 3
836 1 37 LEU HB2 1 37 LEU MD2 . . 3.450 3.158 3.132 3.181 . 0 0 "[ . 1 . 2]" 3
837 1 37 LEU HB3 1 37 LEU MD2 . . 3.290 2.194 2.056 2.309 . 0 0 "[ . 1 . 2]" 3
838 1 82 LYS H 1 83 VAL MG2 . . 5.160 3.760 3.240 5.198 0.038 6 0 "[ . 1 . 2]" 3
839 1 83 VAL H 1 83 VAL MG2 . . 3.880 2.331 1.902 3.753 . 0 0 "[ . 1 . 2]" 3
840 1 83 VAL HA 1 83 VAL MG2 . . 3.570 2.699 2.129 3.203 . 0 0 "[ . 1 . 2]" 3
841 1 59 LEU H 1 59 LEU MD2 . . 4.320 3.314 1.838 4.104 . 0 0 "[ . 1 . 2]" 3
842 1 56 HIS HA 1 59 LEU MD2 . . 4.650 4.322 1.934 4.611 . 0 0 "[ . 1 . 2]" 3
843 1 59 LEU HB2 1 59 LEU MD2 . . 3.410 2.905 2.158 3.192 . 0 0 "[ . 1 . 2]" 3
844 1 82 LYS HA 1 85 GLU H . . 4.320 3.669 3.434 3.909 . 0 0 "[ . 1 . 2]" 3
845 1 82 LYS HA 1 82 LYS HG2 . . 4.020 3.260 2.625 3.888 . 0 0 "[ . 1 . 2]" 3
846 1 78 MET HA 1 79 ALA H . . 3.360 2.591 2.511 2.651 . 0 0 "[ . 1 . 2]" 3
847 1 78 MET HA 1 78 MET ME . . 4.510 4.158 4.065 4.278 . 0 0 "[ . 1 . 2]" 3
848 1 37 LEU HA 1 38 ILE H . . 3.240 2.248 2.210 2.343 . 0 0 "[ . 1 . 2]" 3
849 1 37 LEU HA 1 48 PHE H . . 5.500 5.233 5.054 5.430 . 0 0 "[ . 1 . 2]" 3
850 1 37 LEU HA 1 49 HIS HE1 . . 5.500 5.066 4.650 5.339 . 0 0 "[ . 1 . 2]" 3
851 1 24 ARG HA 1 25 CYS H . . 3.320 2.845 2.757 2.959 . 0 0 "[ . 1 . 2]" 3
852 1 24 ARG HA 1 24 ARG HG3 . . 3.770 2.984 2.184 3.789 0.019 15 0 "[ . 1 . 2]" 3
853 1 58 LEU MD2 1 59 LEU H . . 4.840 4.646 3.810 4.829 . 0 0 "[ . 1 . 2]" 3
854 1 58 LEU H 1 58 LEU MD2 . . 3.650 3.271 2.018 3.650 . 0 0 "[ . 1 . 2]" 3
855 1 58 LEU HA 1 58 LEU MD2 . . 3.990 2.221 1.981 2.652 . 0 0 "[ . 1 . 2]" 3
856 1 55 GLU HA 1 58 LEU MD2 . . 4.430 3.975 1.917 4.389 . 0 0 "[ . 1 . 2]" 3
857 1 14 HIS HA 1 16 HIS H . . 4.830 3.943 3.715 4.687 . 0 0 "[ . 1 . 2]" 3
858 1 14 HIS HA 1 14 HIS HD2 . . 3.610 2.360 2.208 2.511 . 0 0 "[ . 1 . 2]" 3
859 1 81 ASN HA 1 83 VAL H . . 4.550 4.149 3.460 4.476 . 0 0 "[ . 1 . 2]" 3
860 1 42 LEU MD2 1 62 PHE QD . . 4.620 3.265 2.857 3.857 . 0 0 "[ . 1 . 2]" 3
861 1 42 LEU HA 1 42 LEU MD2 . . 4.000 2.225 1.962 3.493 . 0 0 "[ . 1 . 2]" 3
862 1 41 PRO HG2 1 42 LEU MD2 . . 4.260 4.051 3.535 4.247 . 0 0 "[ . 1 . 2]" 3
863 1 42 LEU HB3 1 42 LEU MD2 . . 3.460 2.245 2.004 2.383 . 0 0 "[ . 1 . 2]" 3
864 1 42 LEU H 1 42 LEU MD2 . . 4.300 3.997 3.715 4.244 . 0 0 "[ . 1 . 2]" 3
865 1 27 THR HA 1 28 ARG HA . . 4.900 4.336 4.314 4.379 . 0 0 "[ . 1 . 2]" 3
866 1 28 ARG HA 1 29 PRO HD2 . . 3.070 1.983 1.957 1.995 . 0 0 "[ . 1 . 2]" 3
867 1 28 ARG HA 1 29 PRO HD3 . . 3.230 2.320 2.309 2.348 . 0 0 "[ . 1 . 2]" 3
868 1 28 ARG HA 1 29 PRO HG2 . . 4.340 4.180 4.159 4.189 . 0 0 "[ . 1 . 2]" 3
869 1 59 LEU HA 1 59 LEU HG . . 3.750 3.059 2.519 3.777 0.027 18 0 "[ . 1 . 2]" 3
870 1 59 LEU HA 1 59 LEU MD2 . . 4.770 2.954 2.311 3.608 . 0 0 "[ . 1 . 2]" 3
871 1 65 VAL MG1 1 80 ARG HE . . 4.770 3.716 1.842 4.783 0.013 7 0 "[ . 1 . 2]" 3
872 1 65 VAL HA 1 65 VAL MG1 . . 3.220 2.389 2.281 2.489 . 0 0 "[ . 1 . 2]" 3
873 1 64 ARG HA 1 65 VAL MG1 . . 4.420 3.652 3.497 3.865 . 0 0 "[ . 1 . 2]" 3
874 1 63 GLU HA 1 65 VAL MG1 . . 4.650 4.593 4.458 4.679 0.029 3 0 "[ . 1 . 2]" 3
875 1 65 VAL MG1 1 80 ARG HA . . 4.030 3.823 3.551 4.052 0.022 16 0 "[ . 1 . 2]" 3
876 1 65 VAL MG1 1 66 PRO HD3 . . 4.260 4.060 3.967 4.154 . 0 0 "[ . 1 . 2]" 3
877 1 65 VAL MG1 1 66 PRO HD2 . . 3.680 3.330 3.218 3.454 . 0 0 "[ . 1 . 2]" 3
878 1 65 VAL H 1 65 VAL MG1 . . 3.900 2.875 2.577 3.015 . 0 0 "[ . 1 . 2]" 3
879 1 65 VAL MG1 1 80 ARG H . . 4.400 3.130 2.797 3.463 . 0 0 "[ . 1 . 2]" 3
880 1 63 GLU H 1 65 VAL MG1 . . 4.720 4.693 4.550 4.758 0.038 11 0 "[ . 1 . 2]" 3
881 1 63 GLU QG 1 65 VAL MG1 . . 3.820 3.523 1.975 3.820 . 0 0 "[ . 1 . 2]" 3
882 1 46 ALA HA 1 47 VAL H . . 2.860 2.184 2.142 2.261 . 0 0 "[ . 1 . 2]" 3
883 1 46 ALA HA 1 47 VAL HB . . 4.690 4.623 4.581 4.690 0.000 4 0 "[ . 1 . 2]" 3
884 1 46 ALA HA 1 47 VAL MG2 . . 4.330 3.619 3.395 3.844 . 0 0 "[ . 1 . 2]" 3
885 1 20 CYS H 1 21 VAL MG1 . . 4.750 3.880 3.546 4.501 . 0 0 "[ . 1 . 2]" 3
886 1 19 ASN HA 1 21 VAL MG1 . . 4.570 4.215 3.802 4.439 . 0 0 "[ . 1 . 2]" 3
887 1 21 VAL HA 1 21 VAL MG1 . . 2.850 2.362 2.226 2.425 . 0 0 "[ . 1 . 2]" 3
888 1 20 CYS HA 1 21 VAL MG1 . . 4.180 3.815 3.618 4.025 . 0 0 "[ . 1 . 2]" 3
889 1 42 LEU H 1 43 VAL MG1 . . 4.570 4.342 4.254 4.485 . 0 0 "[ . 1 . 2]" 3
890 1 43 VAL H 1 43 VAL MG1 . . 3.270 2.336 2.292 2.386 . 0 0 "[ . 1 . 2]" 3
891 1 42 LEU HA 1 43 VAL MG1 . . 3.710 3.674 3.612 3.706 . 0 0 "[ . 1 . 2]" 3
892 1 43 VAL HA 1 43 VAL MG1 . . 3.310 2.449 2.418 2.473 . 0 0 "[ . 1 . 2]" 3
893 1 83 VAL MG1 1 84 ALA H . . 4.900 3.436 2.319 4.036 . 0 0 "[ . 1 . 2]" 3
894 1 82 LYS H 1 83 VAL MG1 . . 5.160 4.285 2.831 5.235 0.075 10 0 "[ . 1 . 2]" 3
895 1 83 VAL HA 1 83 VAL MG1 . . 3.570 2.455 2.271 3.193 . 0 0 "[ . 1 . 2]" 3
896 1 65 VAL H 1 77 THR MG . . 5.010 4.925 4.760 5.020 0.010 7 0 "[ . 1 . 2]" 3
897 1 77 THR MG 1 78 MET H . . 3.790 3.769 3.683 3.818 0.028 15 0 "[ . 1 . 2]" 3
898 1 77 THR H 1 77 THR MG . . 4.230 3.232 3.077 3.399 . 0 0 "[ . 1 . 2]" 3
899 1 67 CYS H 1 77 THR MG . . 3.720 3.285 2.920 3.510 . 0 0 "[ . 1 . 2]" 3
900 1 77 THR HA 1 77 THR MG . . 3.080 2.246 2.116 2.330 . 0 0 "[ . 1 . 2]" 3
901 1 66 PRO HA 1 77 THR MG . . 2.970 1.988 1.950 2.112 . 0 0 "[ . 1 . 2]" 3
902 1 76 PHE HA 1 77 THR MG . . 4.310 3.932 3.808 4.051 . 0 0 "[ . 1 . 2]" 3
903 1 66 PRO HB3 1 77 THR MG . . 3.510 2.813 2.637 2.926 . 0 0 "[ . 1 . 2]" 3
904 1 66 PRO HB2 1 77 THR MG . . 3.940 3.863 3.685 3.944 0.004 7 0 "[ . 1 . 2]" 3
905 1 64 ARG HG3 1 77 THR MG . . 4.330 4.057 3.523 4.338 0.008 5 0 "[ . 1 . 2]" 3
906 1 64 ARG HG2 1 77 THR MG . . 4.330 3.940 3.504 4.343 0.013 1 0 "[ . 1 . 2]" 3
907 1 43 VAL MG1 1 44 CYS H . . 4.450 4.304 4.276 4.327 . 0 0 "[ . 1 . 2]" 3
908 1 38 ILE H 1 47 VAL MG1 . . 3.920 3.417 3.131 3.696 . 0 0 "[ . 1 . 2]" 3
909 1 47 VAL MG1 1 48 PHE H . . 3.190 2.822 2.620 2.916 . 0 0 "[ . 1 . 2]" 3
910 1 47 VAL H 1 47 VAL MG1 . . 3.990 3.822 3.783 3.865 . 0 0 "[ . 1 . 2]" 3
911 1 25 CYS H 1 47 VAL MG1 . . 4.660 4.116 3.792 4.563 . 0 0 "[ . 1 . 2]" 3
912 1 47 VAL MG1 1 48 PHE QD . . 4.860 4.740 4.620 4.828 . 0 0 "[ . 1 . 2]" 3
913 1 47 VAL HA 1 47 VAL MG1 . . 2.960 2.358 2.234 2.459 . 0 0 "[ . 1 . 2]" 3
914 1 23 ARG HA 1 47 VAL MG1 . . 4.000 3.751 3.079 4.006 0.006 11 0 "[ . 1 . 2]" 3
915 1 39 GLY HA2 1 47 VAL MG1 . . 4.020 3.326 3.177 3.620 . 0 0 "[ . 1 . 2]" 3
916 1 46 ALA MB 1 48 PHE QD . . 3.340 2.501 2.412 2.732 . 0 0 "[ . 1 . 2]" 3
917 1 46 ALA MB 1 48 PHE QE . . 3.490 2.434 2.294 2.580 . 0 0 "[ . 1 . 2]" 3
918 1 46 ALA H 1 46 ALA MB . . 3.010 2.696 2.647 2.783 . 0 0 "[ . 1 . 2]" 3
919 1 46 ALA MB 1 47 VAL H . . 3.240 2.977 2.705 3.217 . 0 0 "[ . 1 . 2]" 3
920 1 46 ALA MB 1 56 HIS HE1 . . 3.130 2.388 2.012 2.490 . 0 0 "[ . 1 . 2]" 3
921 1 40 CYS H 1 46 ALA MB . . 4.570 4.266 4.095 4.552 . 0 0 "[ . 1 . 2]" 3
922 1 46 ALA MB 1 48 PHE HZ . . 4.710 4.504 4.350 4.676 . 0 0 "[ . 1 . 2]" 3
923 1 40 CYS HB2 1 46 ALA MB . . 3.860 3.285 3.165 3.429 . 0 0 "[ . 1 . 2]" 3
924 1 65 VAL H 1 79 ALA HA . . 4.480 3.163 2.989 3.404 . 0 0 "[ . 1 . 2]" 3
925 1 79 ALA HA 1 80 ARG H . . 3.320 2.278 2.164 2.468 . 0 0 "[ . 1 . 2]" 3
926 1 65 VAL MG2 1 79 ALA HA . . 4.720 3.008 2.731 3.385 . 0 0 "[ . 1 . 2]" 3
927 1 46 ALA MB 1 56 HIS HD2 . . 5.500 5.020 4.801 5.250 . 0 0 "[ . 1 . 2]" 3
928 1 62 PHE HA 1 79 ALA HA . . 4.800 3.820 3.496 4.095 . 0 0 "[ . 1 . 2]" 3
929 1 94 VAL HA 1 94 VAL MG1 . . 3.710 2.347 2.223 2.449 . 0 0 "[ . 1 . 2]" 3
930 1 27 THR MG 1 28 ARG H . . 3.350 2.212 1.869 2.695 . 0 0 "[ . 1 . 2]" 3
931 1 16 HIS HD2 1 27 THR MG . . 4.600 4.509 4.252 4.621 0.021 4 0 "[ . 1 . 2]" 3
932 1 27 THR HA 1 27 THR MG . . 3.160 2.410 2.323 2.479 . 0 0 "[ . 1 . 2]" 3
933 1 27 THR MG 1 28 ARG HB3 . . 4.360 3.563 3.147 4.209 . 0 0 "[ . 1 . 2]" 3
934 1 47 VAL MG2 1 48 PHE H . . 4.200 4.106 4.067 4.168 . 0 0 "[ . 1 . 2]" 3
935 1 47 VAL H 1 47 VAL MG2 . . 3.460 2.633 2.430 2.774 . 0 0 "[ . 1 . 2]" 3
936 1 47 VAL HA 1 47 VAL MG2 . . 2.980 2.340 2.268 2.446 . 0 0 "[ . 1 . 2]" 3
937 1 39 GLY HA2 1 47 VAL MG2 . . 3.840 3.062 2.863 3.253 . 0 0 "[ . 1 . 2]" 3
938 1 41 PRO HD2 1 48 PHE HZ . . 4.390 2.777 2.409 3.142 . 0 0 "[ . 1 . 2]" 3
939 1 41 PRO HD2 1 42 LEU HB2 . . 4.830 4.362 4.222 4.612 . 0 0 "[ . 1 . 2]" 3
940 1 91 PRO HG2 1 92 ALA HA . . 4.750 4.191 4.089 4.365 . 0 0 "[ . 1 . 2]" 3
941 1 38 ILE MD 1 41 PRO HD3 . . 4.640 3.147 3.012 3.365 . 0 0 "[ . 1 . 2]" 3
942 1 16 HIS H 1 18 VAL MG1 . . 5.500 4.733 4.241 5.529 0.029 15 0 "[ . 1 . 2]" 3
943 1 16 HIS H 1 18 VAL MG2 . . 5.500 3.758 3.392 5.283 . 0 0 "[ . 1 . 2]" 3
944 1 17 CYS H 1 18 VAL MG1 . . 5.500 4.553 4.349 5.654 0.154 15 0 "[ . 1 . 2]" 3
945 1 41 PRO HD2 1 42 LEU H . . 4.660 2.910 2.650 3.049 . 0 0 "[ . 1 . 2]" 3
946 1 38 ILE MD 1 41 PRO HD2 . . 4.640 4.315 4.210 4.514 . 0 0 "[ . 1 . 2]" 3
947 1 41 PRO HD3 1 48 PHE HZ . . 4.430 3.529 3.175 3.880 . 0 0 "[ . 1 . 2]" 3
948 1 15 SER HA 1 18 VAL MG1 . . 3.680 3.226 2.719 3.671 . 0 0 "[ . 1 . 2]" 3
949 1 15 SER HA 1 18 VAL MG2 . . 3.680 2.016 1.893 3.149 . 0 0 "[ . 1 . 2]" 3
950 1 44 CYS HB2 1 61 PRO HD3 . . 5.150 4.658 4.247 4.974 . 0 0 "[ . 1 . 2]" 3
951 1 61 PRO HD3 1 62 PHE H . . 4.680 3.874 3.834 4.021 . 0 0 "[ . 1 . 2]" 3
952 1 60 CYS HA 1 61 PRO HD3 . . 3.690 2.277 2.257 2.343 . 0 0 "[ . 1 . 2]" 3
953 1 61 PRO HD2 1 62 PHE H . . 4.690 2.726 2.647 2.986 . 0 0 "[ . 1 . 2]" 3
954 1 44 CYS HB2 1 61 PRO HD2 . . 4.600 3.021 2.654 3.323 . 0 0 "[ . 1 . 2]" 3
955 1 60 CYS HB3 1 61 PRO HD2 . . 4.470 4.155 4.050 4.374 . 0 0 "[ . 1 . 2]" 3
956 1 92 ALA H 1 92 ALA MB . . 3.010 2.112 2.024 2.236 . 0 0 "[ . 1 . 2]" 3
957 1 69 ASN HD21 1 92 ALA MB . . 4.210 3.170 2.744 3.982 . 0 0 "[ . 1 . 2]" 3
958 1 74 CYS H 1 92 ALA MB . . 4.150 4.052 3.779 4.155 0.005 18 0 "[ . 1 . 2]" 3
959 1 69 ASN HD22 1 92 ALA MB . . 4.210 3.852 3.204 4.192 . 0 0 "[ . 1 . 2]" 3
960 1 74 CYS HA 1 92 ALA MB . . 4.470 4.046 3.760 4.211 . 0 0 "[ . 1 . 2]" 3
961 1 72 PHE HB2 1 92 ALA MB . . 3.680 2.318 2.026 2.516 . 0 0 "[ . 1 . 2]" 3
962 1 69 ASN HB2 1 92 ALA MB . . 3.590 2.083 1.952 2.336 . 0 0 "[ . 1 . 2]" 3
963 1 69 ASN HB3 1 92 ALA MB . . 3.590 2.659 2.171 3.341 . 0 0 "[ . 1 . 2]" 3
964 1 91 PRO HG2 1 92 ALA MB . . 4.180 3.261 3.094 3.392 . 0 0 "[ . 1 . 2]" 3
965 1 69 ASN H 1 92 ALA MB . . 4.620 4.262 4.062 4.495 . 0 0 "[ . 1 . 2]" 3
966 1 92 ALA MB 1 93 SER H . . 3.670 2.898 2.649 3.685 0.015 1 0 "[ . 1 . 2]" 3
967 1 69 ASN HA 1 92 ALA MB . . 4.390 4.324 4.152 4.402 0.012 3 0 "[ . 1 . 2]" 3
968 1 72 PHE HB3 1 92 ALA MB . . 3.680 2.620 2.213 3.489 . 0 0 "[ . 1 . 2]" 3
969 1 30 GLU QB 1 31 PRO HD2 . . 4.240 2.250 1.911 3.275 . 0 0 "[ . 1 . 2]" 3
970 1 90 CYS HA 1 92 ALA MB . . 5.500 5.154 4.821 5.301 . 0 0 "[ . 1 . 2]" 3
971 1 94 VAL H 1 94 VAL MG2 . . 3.320 3.013 2.242 3.306 . 0 0 "[ . 1 . 2]" 3
972 1 93 SER HA 1 94 VAL MG2 . . 4.480 3.528 3.238 3.881 . 0 0 "[ . 1 . 2]" 3
973 1 30 GLU HA 1 31 PRO HD3 . . 3.240 2.334 2.251 2.388 . 0 0 "[ . 1 . 2]" 3
974 1 30 GLU QB 1 31 PRO HD3 . . 4.290 3.516 3.294 4.128 . 0 0 "[ . 1 . 2]" 3
975 1 30 GLU HA 1 31 PRO HD2 . . 3.370 2.460 2.201 2.584 . 0 0 "[ . 1 . 2]" 3
976 1 74 CYS HA 1 75 PRO HD2 . . 3.850 1.929 1.922 1.939 . 0 0 "[ . 1 . 2]" 3
977 1 74 CYS HA 1 75 PRO HD3 . . 3.850 2.399 2.376 2.416 . 0 0 "[ . 1 . 2]" 3
978 1 28 ARG QD 1 29 PRO HD2 . . 4.780 3.930 1.967 4.786 0.006 2 0 "[ . 1 . 2]" 3
979 1 28 ARG HB3 1 29 PRO HD2 . . 4.570 4.127 3.372 4.460 . 0 0 "[ . 1 . 2]" 3
980 1 28 ARG QG 1 29 PRO HD2 . . 3.590 2.575 2.270 3.022 . 0 0 "[ . 1 . 2]" 3
981 1 27 THR HA 1 29 PRO HD3 . . 5.500 5.510 5.358 5.572 0.072 11 0 "[ . 1 . 2]" 3
982 1 62 PHE QE 1 79 ALA MB . . 5.040 4.852 4.628 5.026 . 0 0 "[ . 1 . 2]" 3
983 1 78 MET HG3 1 79 ALA MB . . 5.500 4.886 4.709 5.114 . 0 0 "[ . 1 . 2]" 3
984 1 79 ALA MB 1 82 LYS HB3 . . 3.860 3.366 2.065 3.860 . 0 0 "[ . 1 . 2]" 3
985 1 53 ALA MB 1 55 GLU H . . 4.630 4.424 4.142 4.689 0.059 9 0 "[ . 1 . 2]" 3
986 1 53 ALA MB 1 54 ASP H . . 3.330 2.336 2.102 3.031 . 0 0 "[ . 1 . 2]" 3
987 1 53 ALA MB 1 56 HIS H . . 4.690 4.511 4.236 4.723 0.033 19 0 "[ . 1 . 2]" 3
988 1 53 ALA H 1 53 ALA MB . . 2.850 2.253 2.220 2.276 . 0 0 "[ . 1 . 2]" 3
989 1 48 PHE HZ 1 53 ALA MB . . 4.330 4.016 3.851 4.265 . 0 0 "[ . 1 . 2]" 3
990 1 48 PHE QD 1 53 ALA MB . . 3.910 2.361 2.096 2.652 . 0 0 "[ . 1 . 2]" 3
991 1 48 PHE QE 1 53 ALA MB . . 3.220 1.992 1.888 2.239 . 0 0 "[ . 1 . 2]" 3
992 1 52 LYS HA 1 53 ALA MB . . 5.100 4.902 4.860 4.930 . 0 0 "[ . 1 . 2]" 3
993 1 51 CYS HA 1 53 ALA MB . . 4.390 4.269 4.081 4.421 0.031 5 0 "[ . 1 . 2]" 3
994 1 50 SER HA 1 53 ALA MB . . 3.920 2.757 2.568 2.931 . 0 0 "[ . 1 . 2]" 3
995 1 38 ILE MD 1 53 ALA MB . . 3.210 2.200 2.008 2.439 . 0 0 "[ . 1 . 2]" 3
996 1 79 ALA MB 1 81 ASN H . . 3.580 2.537 2.176 2.788 . 0 0 "[ . 1 . 2]" 3
997 1 79 ALA H 1 79 ALA MB . . 2.980 2.152 2.039 2.234 . 0 0 "[ . 1 . 2]" 3
998 1 79 ALA MB 1 80 ARG H . . 3.480 2.718 2.460 3.048 . 0 0 "[ . 1 . 2]" 3
999 1 79 ALA MB 1 82 LYS H . . 3.690 2.798 2.245 3.191 . 0 0 "[ . 1 . 2]" 3
1000 1 62 PHE H 1 79 ALA MB . . 4.540 4.114 3.943 4.372 . 0 0 "[ . 1 . 2]" 3
1001 1 79 ALA MB 1 83 VAL H . . 4.780 4.196 3.710 4.615 . 0 0 "[ . 1 . 2]" 3
1002 1 62 PHE QD 1 79 ALA MB . . 3.980 3.850 3.691 4.007 0.027 11 0 "[ . 1 . 2]" 3
1003 1 62 PHE HA 1 79 ALA MB . . 3.150 2.009 1.927 2.173 . 0 0 "[ . 1 . 2]" 3
1004 1 78 MET HA 1 79 ALA MB . . 4.510 4.260 4.208 4.305 . 0 0 "[ . 1 . 2]" 3
1005 1 64 ARG HA 1 79 ALA MB . . 4.130 4.019 3.885 4.172 0.042 11 0 "[ . 1 . 2]" 3
1006 1 62 PHE HB3 1 79 ALA MB . . 4.910 3.804 3.483 4.060 . 0 0 "[ . 1 . 2]" 3
1007 1 62 PHE HB2 1 79 ALA MB . . 4.910 4.485 4.346 4.629 . 0 0 "[ . 1 . 2]" 3
1008 1 78 MET HB2 1 79 ALA MB . . 3.970 3.598 3.474 3.728 . 0 0 "[ . 1 . 2]" 3
1009 1 79 ALA MB 1 82 LYS HB2 . . 3.860 2.388 1.957 2.787 . 0 0 "[ . 1 . 2]" 3
1010 1 65 VAL MG1 1 79 ALA MB . . 4.720 4.619 4.380 4.734 0.014 1 0 "[ . 1 . 2]" 3
1011 1 66 PRO HD3 1 77 THR MG . . 4.890 3.904 3.590 4.082 . 0 0 "[ . 1 . 2]" 3
1012 1 65 VAL HB 1 66 PRO HD2 . . 3.380 2.185 2.076 2.308 . 0 0 "[ . 1 . 2]" 3
1013 1 21 VAL H 1 21 VAL MG2 . . 3.100 1.994 1.895 2.159 . 0 0 "[ . 1 . 2]" 3
1014 1 21 VAL MG2 1 22 SER H . . 3.820 2.669 1.879 3.597 . 0 0 "[ . 1 . 2]" 3
1015 1 21 VAL MG2 1 22 SER HA . . 4.500 3.384 3.039 3.788 . 0 0 "[ . 1 . 2]" 3
1016 1 20 CYS HA 1 21 VAL MG2 . . 3.890 3.734 3.595 3.864 . 0 0 "[ . 1 . 2]" 3
1017 1 21 VAL MG2 1 22 SER HB2 . . 4.950 3.918 3.232 4.790 . 0 0 "[ . 1 . 2]" 3
1018 1 21 VAL MG2 1 22 SER HB3 . . 4.950 4.603 3.674 4.844 . 0 0 "[ . 1 . 2]" 3
1019 1 65 VAL MG2 1 66 PRO HD3 . . 4.530 4.482 4.421 4.562 0.032 1 0 "[ . 1 . 2]" 3
1020 1 65 VAL MG2 1 66 PRO HD2 . . 4.040 3.625 3.492 3.745 . 0 0 "[ . 1 . 2]" 3
1021 1 65 VAL MG2 1 83 VAL HB . . 4.580 4.338 3.214 4.627 0.047 11 0 "[ . 1 . 2]" 3
1022 1 65 VAL MG2 1 78 MET HG2 . . 4.020 3.794 3.551 3.902 . 0 0 "[ . 1 . 2]" 3
1023 1 65 VAL H 1 65 VAL MG2 . . 3.320 2.406 2.253 2.502 . 0 0 "[ . 1 . 2]" 3
1024 1 65 VAL MG2 1 78 MET H . . 4.020 3.378 3.151 3.578 . 0 0 "[ . 1 . 2]" 3
1025 1 65 VAL MG2 1 80 ARG H . . 3.990 2.522 2.149 3.115 . 0 0 "[ . 1 . 2]" 3
1026 1 65 VAL MG2 1 80 ARG HA . . 3.220 2.170 1.858 2.464 . 0 0 "[ . 1 . 2]" 3
1027 1 65 VAL MG2 1 79 ALA MB . . 4.240 4.063 3.845 4.249 0.009 9 0 "[ . 1 . 2]" 3
1028 1 38 ILE MG 1 50 SER H . . 4.210 3.480 3.214 3.736 . 0 0 "[ . 1 . 2]" 3
1029 1 38 ILE H 1 38 ILE MG . . 3.630 3.140 3.050 3.389 . 0 0 "[ . 1 . 2]" 3
1030 1 38 ILE MG 1 39 GLY H . . 3.990 3.815 3.567 3.938 . 0 0 "[ . 1 . 2]" 3
1031 1 38 ILE HA 1 38 ILE MG . . 2.950 2.270 2.115 2.382 . 0 0 "[ . 1 . 2]" 3
1032 1 38 ILE MG 1 50 SER HB2 . . 3.520 3.211 2.586 3.523 0.003 16 0 "[ . 1 . 2]" 3
1033 1 38 ILE MG 1 50 SER HB3 . . 3.520 2.414 2.027 3.562 0.042 5 0 "[ . 1 . 2]" 3
1034 1 38 ILE MD 1 38 ILE MG . . 3.180 3.153 3.117 3.192 0.012 17 0 "[ . 1 . 2]" 3
1035 1 36 ASP HB2 1 38 ILE MG . . 3.770 3.593 3.397 3.818 0.048 9 0 "[ . 1 . 2]" 3
1036 1 84 ALA MB 1 85 GLU H . . 3.800 2.288 1.982 2.648 . 0 0 "[ . 1 . 2]" 3
1037 1 16 HIS H 1 33 ILE MG . . 3.440 3.008 2.146 3.319 . 0 0 "[ . 1 . 2]" 3
1038 1 33 ILE MG 1 34 SER H . . 3.600 2.516 2.239 3.054 . 0 0 "[ . 1 . 2]" 3
1039 1 15 SER H 1 33 ILE MG . . 4.870 4.658 4.036 4.865 . 0 0 "[ . 1 . 2]" 3
1040 1 30 GLU H 1 33 ILE MG . . 4.710 4.115 3.856 4.342 . 0 0 "[ . 1 . 2]" 3
1041 1 17 CYS H 1 33 ILE MG . . 4.550 4.484 4.164 4.608 0.058 14 0 "[ . 1 . 2]" 3
1042 1 33 ILE MG 1 34 SER HA . . 4.200 3.551 3.266 3.864 . 0 0 "[ . 1 . 2]" 3
1043 1 16 HIS HA 1 33 ILE MG . . 3.970 3.776 3.457 3.900 . 0 0 "[ . 1 . 2]" 3
1044 1 33 ILE HA 1 33 ILE MG . . 3.110 2.485 2.393 2.541 . 0 0 "[ . 1 . 2]" 3
1045 1 15 SER HB3 1 33 ILE MG . . 4.690 3.788 2.966 4.698 0.008 20 0 "[ . 1 . 2]" 3
1046 1 15 SER HB2 1 33 ILE MG . . 4.690 4.044 3.056 4.743 0.053 10 0 "[ . 1 . 2]" 3
1047 1 33 ILE MG 1 34 SER HB2 . . 3.860 3.236 2.317 3.879 0.019 1 0 "[ . 1 . 2]" 3
1048 1 16 HIS HB3 1 33 ILE MG . . 3.370 2.650 2.420 2.799 . 0 0 "[ . 1 . 2]" 3
1049 1 16 HIS HB2 1 33 ILE MG . . 3.370 2.128 1.979 2.314 . 0 0 "[ . 1 . 2]" 3
1050 1 30 GLU HG3 1 33 ILE MG . . 5.030 4.341 3.910 5.062 0.032 17 0 "[ . 1 . 2]" 3
1051 1 30 GLU QB 1 33 ILE MG . . 3.470 3.160 2.889 3.343 . 0 0 "[ . 1 . 2]" 3
1052 1 33 ILE HG12 1 33 ILE MG . . 3.190 2.278 2.111 2.397 . 0 0 "[ . 1 . 2]" 3
1053 1 33 ILE HG13 1 33 ILE MG . . 3.090 2.455 2.357 2.561 . 0 0 "[ . 1 . 2]" 3
1054 1 27 THR MG 1 33 ILE MG . . 3.970 3.570 3.135 4.006 0.036 11 0 "[ . 1 . 2]" 3
1055 1 78 MET H 1 78 MET ME . . 3.350 1.976 1.880 2.103 . 0 0 "[ . 1 . 2]" 3
1056 1 76 PHE H 1 78 MET ME . . 4.670 4.554 4.416 4.682 0.012 6 0 "[ . 1 . 2]" 3
1057 1 67 CYS H 1 78 MET ME . . 3.160 2.641 2.440 2.809 . 0 0 "[ . 1 . 2]" 3
1058 1 68 LEU H 1 78 MET ME . . 4.160 3.857 3.642 4.178 0.018 6 0 "[ . 1 . 2]" 3
1059 1 77 THR HA 1 78 MET ME . . 3.290 2.171 2.003 2.385 . 0 0 "[ . 1 . 2]" 3
1060 1 66 PRO HA 1 78 MET ME . . 3.610 3.397 3.203 3.547 . 0 0 "[ . 1 . 2]" 3
1061 1 78 MET ME 1 83 VAL HA . . 3.720 2.992 2.653 3.310 . 0 0 "[ . 1 . 2]" 3
1062 1 67 CYS HA 1 78 MET ME . . 3.050 2.274 2.081 2.544 . 0 0 "[ . 1 . 2]" 3
1063 1 78 MET ME 1 86 HIS HB2 . . 4.550 4.121 3.912 4.306 . 0 0 "[ . 1 . 2]" 3
1064 1 78 MET ME 1 86 HIS HB3 . . 4.550 3.536 3.291 3.668 . 0 0 "[ . 1 . 2]" 3
1065 1 67 CYS HB2 1 78 MET ME . . 3.090 2.247 1.968 2.497 . 0 0 "[ . 1 . 2]" 3
1066 1 76 PHE QB 1 78 MET ME . . 2.820 2.421 2.245 2.702 . 0 0 "[ . 1 . 2]" 3
1067 1 67 CYS HB3 1 78 MET ME . . 3.910 3.547 3.299 3.878 . 0 0 "[ . 1 . 2]" 3
1068 1 78 MET ME 1 78 MET HG3 . . 3.210 3.135 3.069 3.179 . 0 0 "[ . 1 . 2]" 3
1069 1 76 PHE HA 1 78 MET ME . . 4.480 4.052 3.871 4.439 . 0 0 "[ . 1 . 2]" 3
1070 1 76 PHE QB 1 77 THR HA . . 4.740 4.052 3.936 4.157 . 0 0 "[ . 1 . 2]" 3
1071 1 77 THR HA 1 78 MET H . . 3.390 2.163 2.148 2.180 . 0 0 "[ . 1 . 2]" 3
1072 1 76 PHE HA 1 77 THR HA . . 4.640 4.421 4.394 4.476 . 0 0 "[ . 1 . 2]" 3
1073 1 66 PRO HB3 1 77 THR HA . . 4.870 4.711 4.542 4.876 0.006 3 0 "[ . 1 . 2]" 3
1074 1 77 THR HA 1 78 MET HG2 . . 4.410 4.278 4.121 4.395 . 0 0 "[ . 1 . 2]" 3
1075 1 65 VAL HA 1 66 PRO HD3 . . 3.320 2.264 2.255 2.273 . 0 0 "[ . 1 . 2]" 3
1076 1 65 VAL HA 1 66 PRO HD2 . . 3.370 2.276 2.227 2.322 . 0 0 "[ . 1 . 2]" 3
1077 1 65 VAL HA 1 66 PRO HG2 . . 4.580 4.413 4.374 4.450 . 0 0 "[ . 1 . 2]" 3
1078 1 29 PRO HB2 1 35 CYS HA . . 4.390 2.877 2.607 3.153 . 0 0 "[ . 1 . 2]" 3
1079 1 14 HIS HE1 1 35 CYS HA . . 4.720 4.526 4.355 4.702 . 0 0 "[ . 1 . 2]" 3
1080 1 29 PRO HG3 1 35 CYS HA . . 5.430 5.086 4.671 5.451 0.021 11 0 "[ . 1 . 2]" 3
1081 1 34 SER HA 1 35 CYS H . . 3.440 2.368 2.201 2.512 . 0 0 "[ . 1 . 2]" 3
1082 1 14 HIS HB3 1 34 SER HA . . 4.980 2.629 2.250 3.511 . 0 0 "[ . 1 . 2]" 3
1083 1 48 PHE HA 1 48 PHE QD . . 4.140 3.629 3.569 3.672 . 0 0 "[ . 1 . 2]" 3
1084 1 62 PHE HA 1 62 PHE QE . . 4.550 4.443 4.388 4.522 . 0 0 "[ . 1 . 2]" 3
1085 1 69 ASN HA 1 72 PHE QE . . 4.890 4.422 3.832 4.854 . 0 0 "[ . 1 . 2]" 3
1086 1 69 ASN HA 1 72 PHE QD . . 3.820 3.378 2.798 3.775 . 0 0 "[ . 1 . 2]" 3
1087 1 16 HIS HD2 1 49 HIS HE1 . . 4.420 3.167 2.722 3.476 . 0 0 "[ . 1 . 2]" 3
1088 1 27 THR MG 1 49 HIS HE1 . . 4.720 4.615 4.416 4.729 0.009 17 0 "[ . 1 . 2]" 3
1089 1 37 LEU MD2 1 49 HIS HE1 . . 4.490 4.080 3.877 4.347 . 0 0 "[ . 1 . 2]" 3
1090 1 16 HIS HE1 1 27 THR HB . . 4.890 2.932 2.566 3.295 . 0 0 "[ . 1 . 2]" 3
1091 1 16 HIS HE1 1 20 CYS HB2 . . 4.530 3.881 3.624 4.065 . 0 0 "[ . 1 . 2]" 3
1092 1 16 HIS HE1 1 27 THR MG . . 4.110 2.981 2.533 3.443 . 0 0 "[ . 1 . 2]" 3
1093 1 14 HIS HE1 1 35 CYS HB2 . . 3.920 3.134 2.804 3.396 . 0 0 "[ . 1 . 2]" 3
1094 1 14 HIS HE1 1 35 CYS HB3 . . 3.920 2.107 1.991 2.414 . 0 0 "[ . 1 . 2]" 3
1095 1 14 HIS HE1 1 51 CYS HB3 . . 4.350 2.876 2.572 2.982 . 0 0 "[ . 1 . 2]" 3
1096 1 14 HIS HE1 1 51 CYS H . . 4.560 4.518 4.306 4.610 0.050 20 0 "[ . 1 . 2]" 3
1097 1 46 ALA HA 1 56 HIS HE1 . . 5.500 5.243 4.816 5.402 . 0 0 "[ . 1 . 2]" 3
1098 1 56 HIS HE1 1 60 CYS HA . . 4.070 3.858 3.480 4.016 . 0 0 "[ . 1 . 2]" 3
1099 1 56 HIS HE1 1 61 PRO HD2 . . 4.770 4.562 4.048 4.773 0.003 18 0 "[ . 1 . 2]" 3
1100 1 48 PHE QD 1 52 LYS H . . 4.800 4.558 4.448 4.768 . 0 0 "[ . 1 . 2]" 3
1101 1 76 PHE HA 1 76 PHE QE . . 4.740 4.552 4.489 4.603 . 0 0 "[ . 1 . 2]" 3
1102 1 76 PHE QE 1 91 PRO HG2 . . 4.540 4.370 3.991 4.547 0.007 8 0 "[ . 1 . 2]" 3
1103 1 62 PHE H 1 62 PHE QE . . 4.830 4.580 4.355 4.869 0.039 11 0 "[ . 1 . 2]" 3
1104 1 44 CYS HA 1 62 PHE QE . . 3.710 3.084 2.605 3.385 . 0 0 "[ . 1 . 2]" 3
1105 1 44 CYS HB3 1 62 PHE QE . . 4.940 4.661 4.244 4.931 . 0 0 "[ . 1 . 2]" 3
1106 1 72 PHE HA 1 72 PHE QD . . 4.120 2.980 2.755 3.101 . 0 0 "[ . 1 . 2]" 3
1107 1 62 PHE H 1 62 PHE QD . . 4.530 2.244 1.997 2.550 . 0 0 "[ . 1 . 2]" 3
1108 1 62 PHE HA 1 62 PHE QD . . 3.470 2.790 2.588 3.000 . 0 0 "[ . 1 . 2]" 3
1109 1 44 CYS HA 1 62 PHE QD . . 4.340 3.328 2.890 3.675 . 0 0 "[ . 1 . 2]" 3
1110 1 44 CYS HB3 1 62 PHE QD . . 4.580 3.633 3.259 3.872 . 0 0 "[ . 1 . 2]" 3
1111 1 42 LEU HB2 1 62 PHE QD . . 4.410 3.517 3.042 3.809 . 0 0 "[ . 1 . 2]" 3
1112 1 42 LEU HB3 1 62 PHE QD . . 4.070 2.103 1.995 2.434 . 0 0 "[ . 1 . 2]" 3
1113 1 48 PHE QE 1 56 HIS HD2 . . 4.720 3.155 2.927 3.294 . 0 0 "[ . 1 . 2]" 3
1114 1 48 PHE HZ 1 56 HIS HD2 . . 4.450 2.551 2.312 2.697 . 0 0 "[ . 1 . 2]" 3
1115 1 56 HIS HD2 1 60 CYS HB3 . . 4.660 3.891 3.671 4.188 . 0 0 "[ . 1 . 2]" 3
1116 1 17 CYS HA 1 49 HIS HD2 . . 4.350 3.009 2.793 3.304 . 0 0 "[ . 1 . 2]" 3
1117 1 20 CYS HB2 1 49 HIS HD2 . . 4.510 4.356 4.163 4.527 0.017 5 0 "[ . 1 . 2]" 3
1118 1 33 ILE HB 1 33 ILE MD . . 3.190 2.351 2.196 2.482 . 0 0 "[ . 1 . 2]" 3
1119 1 68 LEU HB3 1 68 LEU MD1 . . 3.250 2.440 2.319 2.656 . 0 0 "[ . 1 . 2]" 3
1120 1 68 LEU HB2 1 68 LEU MD1 . . 3.160 2.209 2.023 2.366 . 0 0 "[ . 1 . 2]" 3
1121 1 37 LEU HB3 1 37 LEU MD1 . . 3.390 2.558 2.509 2.642 . 0 0 "[ . 1 . 2]" 3
1122 1 37 LEU HB2 1 37 LEU MD1 . . 3.220 2.094 2.007 2.232 . 0 0 "[ . 1 . 2]" 3
1123 1 37 LEU MD2 1 49 HIS HD1 . . 4.090 3.669 3.476 3.835 . 0 0 "[ . 1 . 2]" 3
1124 1 76 PHE QB 1 77 THR H . . 4.630 3.079 2.727 3.346 . 0 0 "[ . 1 . 2]" 3
1125 1 16 HIS HD2 1 33 ILE MG . . 5.310 4.724 4.216 4.930 . 0 0 "[ . 1 . 2]" 3
1126 1 56 HIS HA 1 56 HIS HD2 . . 5.240 4.475 4.340 4.604 . 0 0 "[ . 1 . 2]" 3
1127 1 14 HIS HB2 1 34 SER HA . . 4.980 3.853 3.418 4.508 . 0 0 "[ . 1 . 2]" 3
1128 1 16 HIS HE1 1 20 CYS HB3 . . 5.460 5.267 4.999 5.465 0.005 19 0 "[ . 1 . 2]" 3
1129 1 16 HIS HE1 1 20 CYS HA . . 5.500 5.321 4.991 5.512 0.012 16 0 "[ . 1 . 2]" 3
1130 1 27 THR MG 1 28 ARG HB2 . . 4.360 3.883 3.164 4.382 0.022 12 0 "[ . 1 . 2]" 3
1131 1 23 ARG QD 1 47 VAL MG2 . . 4.660 3.555 2.382 4.662 0.002 3 0 "[ . 1 . 2]" 3
1132 1 76 PHE QD 1 78 MET ME . . 4.950 4.196 3.937 4.501 . 0 0 "[ . 1 . 2]" 3
1133 1 30 GLU H 1 30 GLU HG3 . . 4.680 4.427 4.290 4.681 0.001 14 0 "[ . 1 . 2]" 3
1134 1 67 CYS HB3 1 69 ASN H . . 4.970 3.804 3.315 4.151 . 0 0 "[ . 1 . 2]" 3
1135 1 70 SER HB3 1 74 CYS H . . 5.200 5.140 4.985 5.212 0.012 12 0 "[ . 1 . 2]" 3
1136 1 70 SER HB2 1 74 CYS H . . 5.200 4.623 4.456 4.765 . 0 0 "[ . 1 . 2]" 3
1137 1 67 CYS H 1 70 SER HB3 . . 5.320 4.636 3.984 5.311 . 0 0 "[ . 1 . 2]" 3
1138 1 67 CYS H 1 70 SER HB2 . . 5.320 4.498 3.336 5.256 . 0 0 "[ . 1 . 2]" 3
1139 1 68 LEU HB3 1 68 LEU MD2 . . 3.010 2.301 2.175 2.362 . 0 0 "[ . 1 . 2]" 3
1140 1 65 VAL MG2 1 78 MET ME . . 3.630 3.534 3.206 3.633 0.003 1 0 "[ . 1 . 2]" 3
1141 1 16 HIS HA 1 16 HIS HD2 . . 4.830 4.445 4.254 4.613 . 0 0 "[ . 1 . 2]" 3
1142 1 16 HIS HA 1 18 VAL H . . 5.180 4.732 4.318 5.101 . 0 0 "[ . 1 . 2]" 3
1143 1 61 PRO HA 1 63 GLU H . . 5.170 4.338 3.855 4.867 . 0 0 "[ . 1 . 2]" 3
1144 1 61 PRO HA 1 62 PHE QD . . 5.260 4.863 4.248 5.183 . 0 0 "[ . 1 . 2]" 3
1145 1 68 LEU HB2 1 68 LEU MD2 . . 3.290 3.181 3.143 3.191 . 0 0 "[ . 1 . 2]" 3
1146 1 68 LEU H 1 87 LEU MD1 . . 4.860 4.235 3.652 4.535 . 0 0 "[ . 1 . 2]" 3
1147 1 33 ILE MG 1 34 SER HB3 . . 3.860 2.685 2.040 3.921 0.061 14 0 "[ . 1 . 2]" 3
1148 1 49 HIS HA 1 49 HIS HD1 . . 4.230 3.003 2.864 3.143 . 0 0 "[ . 1 . 2]" 3
1149 1 37 LEU MD1 1 49 HIS HD1 . . 4.670 4.564 4.304 4.685 0.015 9 0 "[ . 1 . 2]" 3
1150 1 56 HIS HE1 1 61 PRO HD3 . . 5.440 5.137 4.685 5.431 . 0 0 "[ . 1 . 2]" 3
1151 1 60 CYS H 1 61 PRO HD3 . . 5.340 4.626 4.453 4.699 . 0 0 "[ . 1 . 2]" 3
1152 1 76 PHE QD 1 91 PRO HG3 . . 5.180 4.329 3.563 4.881 . 0 0 "[ . 1 . 2]" 3
1153 1 39 GLY HA3 1 40 CYS HB2 . . 5.500 5.278 5.161 5.397 . 0 0 "[ . 1 . 2]" 3
1154 1 38 ILE HB 1 39 GLY HA2 . . 5.250 4.851 4.619 5.025 . 0 0 "[ . 1 . 2]" 3
1155 1 57 ARG QD 1 63 GLU QG . . 5.150 4.119 3.204 4.988 . 0 0 "[ . 1 . 2]" 3
1156 1 57 ARG H 1 58 LEU HG . . 5.500 4.545 4.005 5.526 0.026 20 0 "[ . 1 . 2]" 3
1157 1 58 LEU H 1 59 LEU HG . . 5.500 4.768 4.019 5.583 0.083 18 0 "[ . 1 . 2]" 3
1158 1 37 LEU HB3 1 48 PHE H . . 4.870 4.710 4.470 4.870 . 0 0 "[ . 1 . 2]" 3
1159 1 38 ILE HG12 1 53 ALA MB . . 4.550 3.702 3.498 4.074 . 0 0 "[ . 1 . 2]" 3
1160 1 37 LEU HB3 1 47 VAL MG1 . . 3.170 2.399 2.248 2.492 . 0 0 "[ . 1 . 2]" 3
1161 1 37 LEU HG 1 47 VAL MG1 . . 4.250 4.207 4.012 4.261 0.011 1 0 "[ . 1 . 2]" 3
1162 1 37 LEU HB2 1 47 VAL MG1 . . 3.700 3.609 3.469 3.704 0.004 2 0 "[ . 1 . 2]" 3
1163 1 37 LEU MD2 1 47 VAL MG2 . . 4.520 4.448 4.293 4.523 0.003 19 0 "[ . 1 . 2]" 3
1164 1 37 LEU MD2 1 47 VAL MG1 . . 3.050 2.062 1.928 2.248 . 0 0 "[ . 1 . 2]" 3
1165 1 37 LEU MD2 1 47 VAL HB . . 4.500 3.915 3.666 4.083 . 0 0 "[ . 1 . 2]" 3
1166 1 41 PRO HG2 1 42 LEU MD1 . . 4.260 3.569 1.893 3.937 . 0 0 "[ . 1 . 2]" 3
1167 1 37 LEU MD1 1 47 VAL MG1 . . 3.010 2.682 2.480 2.868 . 0 0 "[ . 1 . 2]" 3
1168 1 78 MET ME 1 78 MET HG2 . . 2.720 2.193 2.034 2.237 . 0 0 "[ . 1 . 2]" 3
1169 1 76 PHE QB 1 86 HIS HE1 . . 5.420 2.864 2.478 3.315 . 0 0 "[ . 1 . 2]" 3
1170 1 78 MET ME 1 86 HIS HE1 . . 5.410 4.827 4.484 5.083 . 0 0 "[ . 1 . 2]" 3
1171 1 72 PHE QD 1 92 ALA MB . . 5.280 3.153 2.753 3.441 . 0 0 "[ . 1 . 2]" 3
1172 1 27 THR MG 1 34 SER HG . . 3.950 2.860 2.056 3.580 . 0 0 "[ . 1 . 2]" 3
1173 1 30 GLU H 1 34 SER HB2 . . 4.970 4.100 2.546 4.743 . 0 0 "[ . 1 . 2]" 3
1174 1 34 SER HB2 1 49 HIS HE1 . . 4.870 3.691 2.742 4.856 . 0 0 "[ . 1 . 2]" 3
1175 1 34 SER HB3 1 49 HIS HE1 . . 4.870 4.400 2.714 4.875 0.005 11 0 "[ . 1 . 2]" 3
1176 1 36 ASP HA 1 37 LEU HG . . 4.730 4.401 4.253 4.583 . 0 0 "[ . 1 . 2]" 3
1177 1 37 LEU HA 1 37 LEU MD1 . . 3.880 3.816 3.798 3.833 . 0 0 "[ . 1 . 2]" 3
1178 1 36 ASP HA 1 37 LEU MD1 . . 5.050 4.927 4.779 5.046 . 0 0 "[ . 1 . 2]" 3
1179 1 37 LEU MD1 1 49 HIS HA . . 4.840 4.505 4.344 4.861 0.021 9 0 "[ . 1 . 2]" 3
1180 1 37 LEU MD1 1 48 PHE HA . . 4.670 4.512 4.356 4.650 . 0 0 "[ . 1 . 2]" 3
1181 1 37 LEU H 1 37 LEU MD1 . . 3.850 3.744 3.505 3.872 0.022 20 0 "[ . 1 . 2]" 3
1182 1 37 LEU MD1 1 49 HIS HD2 . . 4.710 4.493 4.201 4.725 0.015 14 0 "[ . 1 . 2]" 3
1183 1 23 ARG HA 1 37 LEU MD1 . . 4.350 4.280 3.950 4.369 0.019 14 0 "[ . 1 . 2]" 3
1184 1 37 LEU MD2 1 47 VAL HA . . 4.360 4.167 3.852 4.349 . 0 0 "[ . 1 . 2]" 3
1185 1 23 ARG HA 1 37 LEU MD2 . . 4.080 3.964 3.563 4.104 0.024 16 0 "[ . 1 . 2]" 3
1186 1 38 ILE MD 1 39 GLY H . . 4.080 3.521 3.317 3.825 . 0 0 "[ . 1 . 2]" 3
1187 1 45 GLY H 1 46 ALA MB . . 4.100 3.986 3.933 4.101 0.001 20 0 "[ . 1 . 2]" 3
1188 1 52 LYS H 1 53 ALA MB . . 4.380 4.259 4.110 4.362 . 0 0 "[ . 1 . 2]" 3
1189 1 78 MET HG2 1 79 ALA H . . 4.140 3.725 3.596 3.875 . 0 0 "[ . 1 . 2]" 3
1190 1 76 PHE QD 1 90 CYS HA . . 5.500 5.053 4.786 5.419 . 0 0 "[ . 1 . 2]" 3
1191 1 76 PHE H 1 76 PHE QE . . 4.780 4.457 4.240 4.747 . 0 0 "[ . 1 . 2]" 3
1192 1 78 MET HG3 1 79 ALA H . . 4.530 3.982 3.834 4.135 . 0 0 "[ . 1 . 2]" 3
1193 1 78 MET ME 1 86 HIS HD2 . . 3.160 2.789 2.538 3.007 . 0 0 "[ . 1 . 2]" 3
1194 1 78 MET ME 1 79 ALA H . . 5.160 5.085 4.949 5.161 0.001 5 0 "[ . 1 . 2]" 3
1195 1 83 VAL H 1 83 VAL MG1 . . 3.880 2.919 1.844 3.776 . 0 0 "[ . 1 . 2]" 3
1196 1 83 VAL MG2 1 84 ALA H . . 4.900 3.101 2.024 4.014 . 0 0 "[ . 1 . 2]" 3
1197 1 86 HIS HD2 1 87 LEU MD2 . . 3.780 3.511 2.875 3.781 0.001 9 0 "[ . 1 . 2]" 3
1198 1 72 PHE QE 1 94 VAL MG1 . . 4.420 3.780 2.722 4.412 . 0 0 "[ . 1 . 2]" 3
1199 1 72 PHE QD 1 94 VAL MG1 . . 5.130 4.258 3.586 4.913 . 0 0 "[ . 1 . 2]" 3
1200 1 8 MET H 1 8 MET QB . . 3.550 2.769 2.433 3.250 . 0 0 "[ . 1 . 2]" 3
1201 1 8 MET HA 1 8 MET QG . . 3.730 2.771 2.230 3.470 . 0 0 "[ . 1 . 2]" 3
1202 1 10 GLU H 1 10 GLU QB . . 3.190 2.788 2.308 3.088 . 0 0 "[ . 1 . 2]" 3
1203 1 10 GLU H 1 10 GLU QG . . 4.680 3.250 2.084 4.358 . 0 0 "[ . 1 . 2]" 3
1204 1 10 GLU HA 1 10 GLU QG . . 3.600 2.859 2.243 3.465 . 0 0 "[ . 1 . 2]" 3
1205 1 10 GLU QG 1 11 GLU H . . 5.180 3.677 2.310 4.671 . 0 0 "[ . 1 . 2]" 3
1206 1 11 GLU H 1 11 GLU QB . . 2.750 2.351 2.207 2.619 . 0 0 "[ . 1 . 2]" 3
1207 1 11 GLU HA 1 11 GLU QG . . 3.660 2.555 2.265 3.290 . 0 0 "[ . 1 . 2]" 3
1208 1 11 GLU HA 1 12 LEU QB . . 4.850 4.299 4.122 4.438 . 0 0 "[ . 1 . 2]" 3
1209 1 11 GLU HA 1 12 LEU QD . . 5.320 4.120 2.895 4.704 . 0 0 "[ . 1 . 2]" 3
1210 1 11 GLU QB 1 11 GLU QG . . 2.340 2.060 1.964 2.086 . 0 0 "[ . 1 . 2]" 3
1211 1 11 GLU QB 1 12 LEU H . . 3.760 3.582 2.810 3.797 0.037 6 0 "[ . 1 . 2]" 3
1212 1 11 GLU QB 1 12 LEU HA . . 5.230 4.646 4.399 4.975 . 0 0 "[ . 1 . 2]" 3
1213 1 11 GLU QG 1 12 LEU H . . 3.730 2.596 2.020 3.266 . 0 0 "[ . 1 . 2]" 3
1214 1 11 GLU QG 1 12 LEU HA . . 5.030 4.055 3.574 4.355 . 0 0 "[ . 1 . 2]" 3
1215 1 12 LEU H 1 12 LEU QB . . 2.590 2.478 2.215 2.616 0.026 5 0 "[ . 1 . 2]" 3
1216 1 12 LEU H 1 12 LEU QD . . 3.550 3.088 1.825 3.558 0.008 3 0 "[ . 1 . 2]" 3
1217 1 12 LEU HA 1 12 LEU QD . . 3.300 2.495 1.975 3.411 0.111 11 0 "[ . 1 . 2]" 3
1218 1 12 LEU HA 1 13 GLN QB . . 4.650 4.447 4.124 4.701 0.051 9 0 "[ . 1 . 2]" 3
1219 1 12 LEU HA 1 13 GLN QG . . 5.330 4.331 3.617 4.888 . 0 0 "[ . 1 . 2]" 3
1220 1 12 LEU QB 1 12 LEU QD . . 2.660 1.907 1.787 2.053 . 0 0 "[ . 1 . 2]" 3
1221 1 12 LEU QB 1 13 GLN H . . 3.430 2.137 1.978 2.295 . 0 0 "[ . 1 . 2]" 3
1222 1 12 LEU QD 1 13 GLN H . . 3.540 2.899 2.360 3.281 . 0 0 "[ . 1 . 2]" 3
1223 1 13 GLN H 1 13 GLN QB . . 2.910 2.548 2.300 2.863 . 0 0 "[ . 1 . 2]" 3
1224 1 13 GLN H 1 13 GLN QG . . 3.150 2.311 1.885 3.159 0.009 10 0 "[ . 1 . 2]" 3
1225 1 13 GLN HA 1 18 VAL QG . . 4.340 3.651 3.220 4.301 . 0 0 "[ . 1 . 2]" 3
1226 1 13 GLN QB 1 14 HIS H . . 3.500 2.324 1.932 2.862 . 0 0 "[ . 1 . 2]" 3
1227 1 13 GLN QB 1 18 VAL QG . . 3.140 1.981 1.726 2.324 . 0 0 "[ . 1 . 2]" 3
1228 1 13 GLN QG 1 14 HIS H . . 4.090 3.459 2.905 4.023 . 0 0 "[ . 1 . 2]" 3
1229 1 13 GLN QG 1 18 VAL QG . . 3.820 2.753 1.999 3.897 0.077 15 0 "[ . 1 . 2]" 3
1230 1 13 GLN QE 1 18 VAL QG . . 4.060 3.194 2.339 4.021 . 0 0 "[ . 1 . 2]" 3
1231 1 14 HIS H 1 14 HIS QB . . 3.400 2.444 2.300 2.534 . 0 0 "[ . 1 . 2]" 3
1232 1 14 HIS H 1 18 VAL QG . . 3.830 2.316 1.919 3.205 . 0 0 "[ . 1 . 2]" 3
1233 1 14 HIS QB 1 15 SER H . . 4.150 3.347 3.039 3.558 . 0 0 "[ . 1 . 2]" 3
1234 1 14 HIS QB 1 16 HIS H . . 4.980 2.943 2.532 3.689 . 0 0 "[ . 1 . 2]" 3
1235 1 14 HIS QB 1 17 CYS H . . 3.380 2.435 2.316 2.652 . 0 0 "[ . 1 . 2]" 3
1236 1 14 HIS QB 1 17 CYS HB2 . . 3.820 1.980 1.930 2.246 . 0 0 "[ . 1 . 2]" 3
1237 1 14 HIS QB 1 17 CYS HB3 . . 4.220 3.444 3.278 3.688 . 0 0 "[ . 1 . 2]" 3
1238 1 14 HIS QB 1 18 VAL QG . . 4.870 3.263 2.969 3.600 . 0 0 "[ . 1 . 2]" 3
1239 1 14 HIS QB 1 34 SER HA . . 4.180 2.585 2.229 3.395 . 0 0 "[ . 1 . 2]" 3
1240 1 14 HIS HE1 1 35 CYS QB . . 3.210 2.072 1.972 2.309 . 0 0 "[ . 1 . 2]" 3
1241 1 14 HIS HE1 1 51 CYS QB . . 3.610 2.826 2.535 2.933 . 0 0 "[ . 1 . 2]" 3
1242 1 15 SER H 1 15 SER QB . . 3.510 2.282 2.117 2.569 . 0 0 "[ . 1 . 2]" 3
1243 1 15 SER H 1 18 VAL QG . . 4.350 3.458 3.279 4.024 . 0 0 "[ . 1 . 2]" 3
1244 1 15 SER HA 1 18 VAL QG . . 3.180 1.980 1.882 2.789 . 0 0 "[ . 1 . 2]" 3
1245 1 15 SER QB 1 18 VAL QG . . 4.760 3.576 3.459 4.120 . 0 0 "[ . 1 . 2]" 3
1246 1 15 SER QB 1 33 ILE HA . . 4.170 2.889 2.185 3.440 . 0 0 "[ . 1 . 2]" 3
1247 1 15 SER QB 1 33 ILE MD . . 4.560 4.386 3.953 4.569 0.009 10 0 "[ . 1 . 2]" 3
1248 1 16 HIS H 1 34 SER QB . . 4.970 4.201 3.872 4.985 0.015 14 0 "[ . 1 . 2]" 3
1249 1 16 HIS QB 1 17 CYS H . . 3.560 2.216 2.122 2.562 . 0 0 "[ . 1 . 2]" 3
1250 1 16 HIS QB 1 27 THR MG . . 4.630 3.806 3.529 3.990 . 0 0 "[ . 1 . 2]" 3
1251 1 16 HIS QB 1 34 SER QB . . 3.980 2.093 1.856 2.886 . 0 0 "[ . 1 . 2]" 3
1252 1 17 CYS H 1 18 VAL QG . . 4.670 3.802 3.641 4.599 . 0 0 "[ . 1 . 2]" 3
1253 1 17 CYS HB2 1 18 VAL QG . . 4.260 3.192 2.900 3.900 . 0 0 "[ . 1 . 2]" 3
1254 1 18 VAL H 1 18 VAL QG . . 2.820 1.991 1.824 2.772 . 0 0 "[ . 1 . 2]" 3
1255 1 18 VAL HA 1 18 VAL QG . . 2.860 2.249 1.931 2.371 . 0 0 "[ . 1 . 2]" 3
1256 1 18 VAL QG 1 19 ASN H . . 3.250 2.081 1.853 2.990 . 0 0 "[ . 1 . 2]" 3
1257 1 18 VAL QG 1 19 ASN HA . . 3.820 3.617 3.392 3.823 0.003 12 0 "[ . 1 . 2]" 3
1258 1 18 VAL QG 1 19 ASN QB . . 4.210 2.810 2.449 3.183 . 0 0 "[ . 1 . 2]" 3
1259 1 18 VAL QG 1 19 ASN QD . . 3.630 2.724 1.774 3.505 . 0 0 "[ . 1 . 2]" 3
1260 1 18 VAL QG 1 20 CYS H . . 4.610 4.147 3.979 4.430 . 0 0 "[ . 1 . 2]" 3
1261 1 18 VAL QG 1 52 LYS QD . . 4.550 3.931 2.664 4.547 . 0 0 "[ . 1 . 2]" 3
1262 1 18 VAL QG 1 52 LYS QE . . 3.630 3.320 2.796 3.655 0.025 20 0 "[ . 1 . 2]" 3
1263 1 19 ASN H 1 19 ASN QB . . 3.180 2.575 2.323 3.139 . 0 0 "[ . 1 . 2]" 3
1264 1 19 ASN H 1 19 ASN QD . . 4.340 3.670 3.045 4.301 . 0 0 "[ . 1 . 2]" 3
1265 1 21 VAL MG2 1 22 SER QB . . 4.260 3.676 3.148 4.101 . 0 0 "[ . 1 . 2]" 3
1266 1 22 SER QB 1 25 CYS H . . 4.410 3.643 3.348 3.974 . 0 0 "[ . 1 . 2]" 3
1267 1 22 SER QB 1 25 CYS HA . . 4.240 3.361 2.787 3.746 . 0 0 "[ . 1 . 2]" 3
1268 1 22 SER QB 1 25 CYS HB2 . . 3.630 2.506 2.006 3.247 . 0 0 "[ . 1 . 2]" 3
1269 1 22 SER QB 1 25 CYS HB3 . . 4.120 3.763 3.390 4.116 . 0 0 "[ . 1 . 2]" 3
1270 1 23 ARG QB 1 23 ARG QD . . 3.300 2.190 2.040 2.423 . 0 0 "[ . 1 . 2]" 3
1271 1 24 ARG QB 1 24 ARG QD . . 3.320 2.293 2.042 2.739 . 0 0 "[ . 1 . 2]" 3
1272 1 24 ARG QB 1 25 CYS HA . . 5.060 4.380 4.312 4.505 . 0 0 "[ . 1 . 2]" 3
1273 1 24 ARG QG 1 47 VAL MG2 . . 5.340 4.623 3.449 5.344 0.004 11 0 "[ . 1 . 2]" 3
1274 1 25 CYS HA 1 26 MET QB . . 4.630 4.317 4.115 4.540 . 0 0 "[ . 1 . 2]" 3
1275 1 25 CYS HA 1 26 MET QG . . 4.610 4.010 3.696 4.372 . 0 0 "[ . 1 . 2]" 3
1276 1 26 MET HA 1 26 MET QG . . 3.350 2.711 2.201 3.339 . 0 0 "[ . 1 . 2]" 3
1277 1 27 THR HA 1 28 ARG QB . . 4.540 4.118 4.063 4.251 . 0 0 "[ . 1 . 2]" 3
1278 1 27 THR MG 1 28 ARG QB . . 3.810 3.229 3.041 3.381 . 0 0 "[ . 1 . 2]" 3
1279 1 27 THR MG 1 34 SER QB . . 3.500 2.736 2.273 3.181 . 0 0 "[ . 1 . 2]" 3
1280 1 28 ARG H 1 28 ARG QB . . 3.090 2.194 2.118 2.249 . 0 0 "[ . 1 . 2]" 3
1281 1 28 ARG QB 1 28 ARG QD . . 3.150 2.231 2.087 2.582 . 0 0 "[ . 1 . 2]" 3
1282 1 28 ARG QB 1 29 PRO HD2 . . 3.920 3.628 3.277 3.763 . 0 0 "[ . 1 . 2]" 3
1283 1 28 ARG QB 1 29 PRO HD3 . . 4.630 4.356 4.220 4.415 . 0 0 "[ . 1 . 2]" 3
1284 1 29 PRO QB 1 30 GLU H . . 3.950 3.603 3.417 3.671 . 0 0 "[ . 1 . 2]" 3
1285 1 29 PRO QB 1 35 CYS HA . . 3.780 2.611 2.332 2.918 . 0 0 "[ . 1 . 2]" 3
1286 1 29 PRO QB 1 36 ASP H . . 4.710 2.685 2.442 2.963 . 0 0 "[ . 1 . 2]" 3
1287 1 30 GLU H 1 34 SER QB . . 4.350 3.159 2.156 3.975 . 0 0 "[ . 1 . 2]" 3
1288 1 32 GLY QA 1 33 ILE MD . . 4.420 2.975 2.574 3.264 . 0 0 "[ . 1 . 2]" 3
1289 1 32 GLY QA 1 34 SER H . . 5.340 4.747 4.478 5.034 . 0 0 "[ . 1 . 2]" 3
1290 1 33 ILE MG 1 34 SER QB . . 3.190 2.364 2.030 3.254 0.064 13 0 "[ . 1 . 2]" 3
1291 1 34 SER QB 1 35 CYS H . . 3.640 2.899 2.392 3.586 . 0 0 "[ . 1 . 2]" 3
1292 1 34 SER QB 1 49 HIS HE1 . . 4.240 3.345 2.681 4.261 0.021 9 0 "[ . 1 . 2]" 3
1293 1 35 CYS QB 1 36 ASP H . . 3.440 2.330 2.020 2.620 . 0 0 "[ . 1 . 2]" 3
1294 1 36 ASP HB2 1 50 SER QB . . 4.620 4.047 3.637 4.490 . 0 0 "[ . 1 . 2]" 3
1295 1 38 ILE HG13 1 50 SER QB . . 4.860 3.098 2.855 3.284 . 0 0 "[ . 1 . 2]" 3
1296 1 38 ILE MD 1 50 SER QB . . 3.740 3.637 3.212 3.747 0.007 6 0 "[ . 1 . 2]" 3
1297 1 41 PRO QB 1 42 LEU QD . . 4.620 3.710 3.261 3.940 . 0 0 "[ . 1 . 2]" 3
1298 1 41 PRO HG3 1 42 LEU QD . . 4.950 4.537 3.238 4.827 . 0 0 "[ . 1 . 2]" 3
1299 1 42 LEU HA 1 42 LEU QD . . 3.460 2.195 1.956 3.130 . 0 0 "[ . 1 . 2]" 3
1300 1 42 LEU HB2 1 42 LEU QD . . 3.020 2.170 2.026 2.265 . 0 0 "[ . 1 . 2]" 3
1301 1 42 LEU HB3 1 42 LEU QD . . 2.950 2.083 1.966 2.140 . 0 0 "[ . 1 . 2]" 3
1302 1 42 LEU HB3 1 62 PHE QB . . 4.200 2.163 1.965 2.438 . 0 0 "[ . 1 . 2]" 3
1303 1 42 LEU QD 1 43 VAL H . . 5.190 4.441 4.080 4.551 . 0 0 "[ . 1 . 2]" 3
1304 1 42 LEU QD 1 62 PHE H . . 4.590 4.016 3.548 4.331 . 0 0 "[ . 1 . 2]" 3
1305 1 42 LEU QD 1 62 PHE HA . . 4.470 3.770 3.653 3.913 . 0 0 "[ . 1 . 2]" 3
1306 1 42 LEU QD 1 62 PHE QB . . 3.180 1.971 1.881 2.199 . 0 0 "[ . 1 . 2]" 3
1307 1 42 LEU QD 1 62 PHE QD . . 3.840 3.013 2.747 3.415 . 0 0 "[ . 1 . 2]" 3
1308 1 42 LEU QD 1 63 GLU H . . 4.030 2.758 2.312 3.086 . 0 0 "[ . 1 . 2]" 3
1309 1 42 LEU QD 1 63 GLU HA . . 3.310 2.177 1.860 2.457 . 0 0 "[ . 1 . 2]" 3
1310 1 42 LEU QD 1 63 GLU QG . . 4.090 3.618 3.028 3.993 . 0 0 "[ . 1 . 2]" 3
1311 1 42 LEU QD 1 64 ARG H . . 3.740 3.342 3.080 3.606 . 0 0 "[ . 1 . 2]" 3
1312 1 42 LEU QD 1 64 ARG HA . . 5.150 4.785 4.608 5.035 . 0 0 "[ . 1 . 2]" 3
1313 1 42 LEU QD 1 64 ARG QB . . 4.760 4.155 3.867 4.444 . 0 0 "[ . 1 . 2]" 3
1314 1 42 LEU QD 1 79 ALA HA . . 5.060 5.037 4.952 5.070 0.010 15 0 "[ . 1 . 2]" 3
1315 1 42 LEU QD 1 79 ALA MB . . 4.290 4.025 3.868 4.233 . 0 0 "[ . 1 . 2]" 3
1316 1 43 VAL MG2 1 45 GLY QA . . 5.340 5.238 5.205 5.310 . 0 0 "[ . 1 . 2]" 3
1317 1 44 CYS H 1 62 PHE QB . . 5.340 4.242 3.987 4.530 . 0 0 "[ . 1 . 2]" 3
1318 1 45 GLY QA 1 46 ALA HA . . 4.510 3.984 3.979 3.991 . 0 0 "[ . 1 . 2]" 3
1319 1 45 GLY QA 1 46 ALA MB . . 4.510 3.906 3.850 3.938 . 0 0 "[ . 1 . 2]" 3
1320 1 48 PHE QB 1 52 LYS QD . . 5.340 4.643 4.192 5.095 . 0 0 "[ . 1 . 2]" 3
1321 1 48 PHE QD 1 52 LYS QB . . 4.540 3.267 3.073 3.514 . 0 0 "[ . 1 . 2]" 3
1322 1 49 HIS H 1 49 HIS QB . . 3.310 2.272 2.218 2.337 . 0 0 "[ . 1 . 2]" 3
1323 1 49 HIS H 1 52 LYS QB . . 4.630 2.598 2.244 2.794 . 0 0 "[ . 1 . 2]" 3
1324 1 49 HIS HA 1 50 SER QB . . 4.550 4.326 4.117 4.449 . 0 0 "[ . 1 . 2]" 3
1325 1 49 HIS QB 1 50 SER H . . 4.290 3.149 2.943 3.258 . 0 0 "[ . 1 . 2]" 3
1326 1 49 HIS QB 1 52 LYS H . . 4.480 2.511 2.426 2.611 . 0 0 "[ . 1 . 2]" 3
1327 1 49 HIS QB 1 52 LYS QD . . 4.750 3.971 3.656 4.240 . 0 0 "[ . 1 . 2]" 3
1328 1 51 CYS H 1 51 CYS QB . . 3.370 2.397 2.337 2.520 . 0 0 "[ . 1 . 2]" 3
1329 1 52 LYS H 1 52 LYS QB . . 3.340 2.392 2.295 2.481 . 0 0 "[ . 1 . 2]" 3
1330 1 52 LYS H 1 52 LYS QG . . 3.490 2.289 2.084 2.556 . 0 0 "[ . 1 . 2]" 3
1331 1 52 LYS HA 1 52 LYS QG . . 3.440 2.795 2.682 2.904 . 0 0 "[ . 1 . 2]" 3
1332 1 52 LYS HA 1 55 GLU QG . . 4.360 3.189 2.138 3.712 . 0 0 "[ . 1 . 2]" 3
1333 1 52 LYS QB 1 52 LYS QE . . 3.790 3.357 2.362 3.763 . 0 0 "[ . 1 . 2]" 3
1334 1 52 LYS QB 1 53 ALA H . . 3.960 2.761 2.583 3.217 . 0 0 "[ . 1 . 2]" 3
1335 1 52 LYS QB 1 54 ASP H . . 5.340 4.956 4.486 5.261 . 0 0 "[ . 1 . 2]" 3
1336 1 52 LYS QB 1 56 HIS H . . 4.580 3.760 3.504 4.088 . 0 0 "[ . 1 . 2]" 3
1337 1 52 LYS QE 1 52 LYS QG . . 3.310 2.078 1.999 2.220 . 0 0 "[ . 1 . 2]" 3
1338 1 52 LYS QG 1 53 ALA H . . 4.300 4.174 4.029 4.443 0.143 19 0 "[ . 1 . 2]" 3
1339 1 52 LYS QD 1 55 GLU QG . . 3.940 3.534 2.163 3.942 0.002 2 0 "[ . 1 . 2]" 3
1340 1 53 ALA HA 1 56 HIS QB . . 3.720 2.075 1.980 2.374 . 0 0 "[ . 1 . 2]" 3
1341 1 53 ALA MB 1 56 HIS QB . . 4.430 3.621 3.458 3.912 . 0 0 "[ . 1 . 2]" 3
1342 1 54 ASP H 1 54 ASP QB . . 3.170 2.351 2.161 2.738 . 0 0 "[ . 1 . 2]" 3
1343 1 54 ASP HA 1 57 ARG QG . . 3.880 3.561 2.518 3.949 0.069 18 0 "[ . 1 . 2]" 3
1344 1 54 ASP QB 1 55 GLU H . . 3.470 2.707 2.334 3.424 . 0 0 "[ . 1 . 2]" 3
1345 1 55 GLU H 1 58 LEU QD . . 4.610 4.420 3.865 4.611 0.001 13 0 "[ . 1 . 2]" 3
1346 1 55 GLU HA 1 55 GLU QG . . 3.330 2.681 2.294 3.457 0.127 19 0 "[ . 1 . 2]" 3
1347 1 55 GLU HA 1 58 LEU QB . . 4.750 3.681 3.410 4.070 . 0 0 "[ . 1 . 2]" 3
1348 1 55 GLU HA 1 58 LEU QD . . 3.080 2.056 1.915 2.332 . 0 0 "[ . 1 . 2]" 3
1349 1 55 GLU HA 1 59 LEU QD . . 4.980 4.588 3.954 5.006 0.026 17 0 "[ . 1 . 2]" 3
1350 1 55 GLU QB 1 55 GLU QG . . 2.420 2.044 1.969 2.079 . 0 0 "[ . 1 . 2]" 3
1351 1 55 GLU QB 1 58 LEU QD . . 3.860 3.084 2.279 3.733 . 0 0 "[ . 1 . 2]" 3
1352 1 55 GLU QG 1 56 HIS H . . 4.370 3.654 2.159 4.477 0.107 20 0 "[ . 1 . 2]" 3
1353 1 55 GLU QG 1 58 LEU QD . . 3.960 3.533 2.930 3.962 0.002 19 0 "[ . 1 . 2]" 3
1354 1 56 HIS H 1 56 HIS QB . . 3.270 2.231 2.160 2.272 . 0 0 "[ . 1 . 2]" 3
1355 1 56 HIS HA 1 59 LEU QD . . 3.820 2.546 1.933 3.106 . 0 0 "[ . 1 . 2]" 3
1356 1 56 HIS QB 1 57 ARG H . . 3.730 2.498 2.354 3.190 . 0 0 "[ . 1 . 2]" 3
1357 1 56 HIS HD2 1 57 ARG QG . . 5.330 4.023 2.820 5.322 . 0 0 "[ . 1 . 2]" 3
1358 1 57 ARG H 1 57 ARG QG . . 3.190 2.515 1.978 3.159 . 0 0 "[ . 1 . 2]" 3
1359 1 57 ARG HA 1 57 ARG QG . . 3.350 2.771 2.158 3.337 . 0 0 "[ . 1 . 2]" 3
1360 1 57 ARG QB 1 58 LEU QD . . 4.620 3.931 3.302 4.556 . 0 0 "[ . 1 . 2]" 3
1361 1 57 ARG QG 1 58 LEU H . . 4.570 3.344 2.025 4.710 0.140 18 0 "[ . 1 . 2]" 3
1362 1 57 ARG QG 1 63 GLU QG . . 4.410 3.477 2.467 4.403 . 0 0 "[ . 1 . 2]" 3
1363 1 58 LEU H 1 58 LEU QB . . 3.380 2.504 2.334 2.651 . 0 0 "[ . 1 . 2]" 3
1364 1 58 LEU H 1 58 LEU QD . . 3.150 2.965 2.010 3.177 0.027 18 0 "[ . 1 . 2]" 3
1365 1 58 LEU H 1 59 LEU QD . . 4.460 3.879 2.682 4.452 . 0 0 "[ . 1 . 2]" 3
1366 1 58 LEU HA 1 58 LEU QD . . 2.740 2.178 1.976 2.457 . 0 0 "[ . 1 . 2]" 3
1367 1 58 LEU HA 1 59 LEU QD . . 4.570 4.417 3.773 4.524 . 0 0 "[ . 1 . 2]" 3
1368 1 58 LEU QB 1 58 LEU QD . . 2.660 1.893 1.850 2.024 . 0 0 "[ . 1 . 2]" 3
1369 1 58 LEU QB 1 59 LEU H . . 3.960 2.474 2.276 2.978 . 0 0 "[ . 1 . 2]" 3
1370 1 58 LEU QB 1 59 LEU HG . . 4.680 3.209 2.933 4.675 . 0 0 "[ . 1 . 2]" 3
1371 1 58 LEU QB 1 59 LEU QD . . 4.050 2.382 1.911 2.733 . 0 0 "[ . 1 . 2]" 3
1372 1 58 LEU QD 1 59 LEU H . . 4.160 3.951 3.668 4.193 0.033 18 0 "[ . 1 . 2]" 3
1373 1 59 LEU H 1 59 LEU QD . . 3.590 2.332 1.828 2.854 . 0 0 "[ . 1 . 2]" 3
1374 1 59 LEU HA 1 59 LEU QD . . 3.410 2.696 1.968 3.180 . 0 0 "[ . 1 . 2]" 3
1375 1 59 LEU HB2 1 59 LEU QD . . 2.820 2.110 1.951 2.323 . 0 0 "[ . 1 . 2]" 3
1376 1 59 LEU QD 1 60 CYS H . . 4.720 3.539 3.119 3.924 . 0 0 "[ . 1 . 2]" 3
1377 1 60 CYS HA 1 61 PRO QB . . 5.230 4.538 4.533 4.559 . 0 0 "[ . 1 . 2]" 3
1378 1 60 CYS HB3 1 63 GLU QB . . 5.290 2.356 1.987 2.643 . 0 0 "[ . 1 . 2]" 3
1379 1 61 PRO HA 1 80 ARG QB . . 3.790 2.036 1.954 2.457 . 0 0 "[ . 1 . 2]" 3
1380 1 61 PRO HA 1 80 ARG QD . . 4.860 3.701 2.435 4.870 0.010 6 0 "[ . 1 . 2]" 3
1381 1 61 PRO HA 1 81 ASN QB . . 4.350 4.151 3.777 4.347 . 0 0 "[ . 1 . 2]" 3
1382 1 61 PRO QB 1 62 PHE QE . . 4.740 4.366 3.641 4.742 0.002 12 0 "[ . 1 . 2]" 3
1383 1 61 PRO QB 1 79 ALA MB . . 5.190 3.932 3.586 4.366 . 0 0 "[ . 1 . 2]" 3
1384 1 61 PRO QB 1 81 ASN H . . 3.850 2.901 2.444 3.595 . 0 0 "[ . 1 . 2]" 3
1385 1 61 PRO QB 1 81 ASN HA . . 4.790 3.933 3.579 4.293 . 0 0 "[ . 1 . 2]" 3
1386 1 61 PRO QB 1 81 ASN QB . . 3.560 2.028 1.931 2.464 . 0 0 "[ . 1 . 2]" 3
1387 1 61 PRO QB 1 81 ASN QD . . 5.180 3.480 2.013 4.532 . 0 0 "[ . 1 . 2]" 3
1388 1 62 PHE QB 1 79 ALA MB . . 4.160 3.607 3.349 3.807 . 0 0 "[ . 1 . 2]" 3
1389 1 62 PHE QD 1 81 ASN QB . . 4.710 4.067 3.579 4.672 . 0 0 "[ . 1 . 2]" 3
1390 1 62 PHE QD 1 81 ASN QD . . 4.730 3.797 2.269 4.737 0.007 7 0 "[ . 1 . 2]" 3
1391 1 62 PHE QE 1 81 ASN QD . . 4.080 3.268 2.190 4.097 0.017 9 0 "[ . 1 . 2]" 3
1392 1 63 GLU HA 1 64 ARG QB . . 4.720 4.101 4.070 4.125 . 0 0 "[ . 1 . 2]" 3
1393 1 63 GLU QB 1 65 VAL MG1 . . 4.620 2.940 2.634 3.757 . 0 0 "[ . 1 . 2]" 3
1394 1 64 ARG H 1 64 ARG QB . . 3.470 2.233 2.174 2.251 . 0 0 "[ . 1 . 2]" 3
1395 1 64 ARG H 1 64 ARG QG . . 4.130 3.963 3.867 4.044 . 0 0 "[ . 1 . 2]" 3
1396 1 64 ARG QB 1 64 ARG QD . . 3.450 2.299 2.095 2.699 . 0 0 "[ . 1 . 2]" 3
1397 1 64 ARG QB 1 65 VAL MG1 . . 5.190 4.419 4.245 4.584 . 0 0 "[ . 1 . 2]" 3
1398 1 64 ARG QG 1 65 VAL H . . 4.570 2.873 2.659 3.245 . 0 0 "[ . 1 . 2]" 3
1399 1 64 ARG QG 1 65 VAL MG1 . . 5.340 4.363 4.204 4.653 . 0 0 "[ . 1 . 2]" 3
1400 1 64 ARG QG 1 77 THR MG . . 3.720 3.535 3.199 3.715 . 0 0 "[ . 1 . 2]" 3
1401 1 64 ARG QG 1 78 MET H . . 4.790 3.782 3.488 4.139 . 0 0 "[ . 1 . 2]" 3
1402 1 64 ARG QG 1 78 MET HA . . 4.580 3.579 3.242 4.409 . 0 0 "[ . 1 . 2]" 3
1403 1 65 VAL H 1 83 VAL QG . . 4.790 4.403 4.145 4.812 0.022 6 0 "[ . 1 . 2]" 3
1404 1 65 VAL MG1 1 80 ARG QB . . 3.570 2.986 1.970 3.682 0.112 16 0 "[ . 1 . 2]" 3
1405 1 65 VAL MG1 1 80 ARG QG . . 3.910 2.702 1.833 4.010 0.100 6 0 "[ . 1 . 2]" 3
1406 1 65 VAL MG1 1 80 ARG QD . . 5.050 2.935 1.940 3.964 . 0 0 "[ . 1 . 2]" 3
1407 1 65 VAL MG1 1 80 ARG QH1 . . 4.250 3.368 2.461 4.264 0.014 16 0 "[ . 1 . 2]" 3
1408 1 65 VAL MG2 1 80 ARG QB . . 3.550 2.869 2.252 3.452 . 0 0 "[ . 1 . 2]" 3
1409 1 65 VAL MG2 1 83 VAL QG . . 2.820 2.327 2.173 2.575 . 0 0 "[ . 1 . 2]" 3
1410 1 66 PRO HA 1 83 VAL QG . . 5.440 4.929 4.593 5.450 0.010 1 0 "[ . 1 . 2]" 3
1411 1 66 PRO HB2 1 70 SER QB . . 4.170 2.176 1.949 2.483 . 0 0 "[ . 1 . 2]" 3
1412 1 66 PRO HB3 1 70 SER QB . . 4.160 3.618 3.451 3.844 . 0 0 "[ . 1 . 2]" 3
1413 1 66 PRO HG2 1 70 SER QB . . 4.770 3.334 3.119 3.478 . 0 0 "[ . 1 . 2]" 3
1414 1 67 CYS H 1 70 SER QB . . 4.530 3.810 3.290 4.300 . 0 0 "[ . 1 . 2]" 3
1415 1 67 CYS HA 1 83 VAL QG . . 4.470 2.728 2.130 3.605 . 0 0 "[ . 1 . 2]" 3
1416 1 68 LEU H 1 83 VAL QG . . 4.000 2.619 1.869 3.547 . 0 0 "[ . 1 . 2]" 3
1417 1 68 LEU HB2 1 83 VAL QG . . 4.060 3.408 2.841 4.034 . 0 0 "[ . 1 . 2]" 3
1418 1 68 LEU HG 1 83 VAL QG . . 3.490 2.551 2.088 3.210 . 0 0 "[ . 1 . 2]" 3
1419 1 69 ASN HA 1 69 ASN QD . . 4.620 3.886 3.704 4.030 . 0 0 "[ . 1 . 2]" 3
1420 1 69 ASN QB 1 72 PHE QB . . 4.620 2.768 2.406 3.520 . 0 0 "[ . 1 . 2]" 3
1421 1 69 ASN QB 1 92 ALA MB . . 3.100 1.988 1.851 2.215 . 0 0 "[ . 1 . 2]" 3
1422 1 69 ASN QD 1 87 LEU MD1 . . 4.030 3.800 3.494 4.028 . 0 0 "[ . 1 . 2]" 3
1423 1 69 ASN QD 1 87 LEU MD2 . . 3.070 1.940 1.760 2.152 . 0 0 "[ . 1 . 2]" 3
1424 1 69 ASN QD 1 90 CYS HB2 . . 5.020 4.263 3.468 4.758 . 0 0 "[ . 1 . 2]" 3
1425 1 69 ASN QD 1 90 CYS HB3 . . 4.370 3.778 3.198 4.262 . 0 0 "[ . 1 . 2]" 3
1426 1 69 ASN QD 1 92 ALA MB . . 3.520 2.958 2.691 3.399 . 0 0 "[ . 1 . 2]" 3
1427 1 69 ASN QD 1 93 SER HA . . 3.780 3.296 2.894 3.742 . 0 0 "[ . 1 . 2]" 3
1428 1 69 ASN QD 1 93 SER QB . . 4.070 3.248 2.240 4.000 . 0 0 "[ . 1 . 2]" 3
1429 1 70 SER H 1 70 SER QB . . 3.700 2.336 2.242 2.529 . 0 0 "[ . 1 . 2]" 3
1430 1 70 SER HA 1 74 CYS QB . . 4.270 2.869 2.473 3.166 . 0 0 "[ . 1 . 2]" 3
1431 1 70 SER QB 1 74 CYS H . . 4.390 4.306 4.160 4.405 0.015 4 0 "[ . 1 . 2]" 3
1432 1 71 ASP QB 1 72 PHE H . . 4.020 2.609 2.271 3.439 . 0 0 "[ . 1 . 2]" 3
1433 1 71 ASP QB 1 72 PHE QE . . 4.400 4.229 3.886 4.395 . 0 0 "[ . 1 . 2]" 3
1434 1 72 PHE H 1 72 PHE QB . . 3.250 2.293 2.213 2.446 . 0 0 "[ . 1 . 2]" 3
1435 1 72 PHE H 1 73 GLY QA . . 5.140 4.605 4.423 4.677 . 0 0 "[ . 1 . 2]" 3
1436 1 72 PHE QB 1 74 CYS H . . 4.720 3.766 3.444 4.041 . 0 0 "[ . 1 . 2]" 3
1437 1 72 PHE QB 1 92 ALA MB . . 3.220 2.159 1.901 2.461 . 0 0 "[ . 1 . 2]" 3
1438 1 74 CYS H 1 75 PRO QD . . 4.820 4.066 4.029 4.111 . 0 0 "[ . 1 . 2]" 3
1439 1 74 CYS HA 1 75 PRO QG . . 4.750 3.766 3.765 3.767 . 0 0 "[ . 1 . 2]" 3
1440 1 74 CYS HA 1 75 PRO QD . . 3.340 1.853 1.851 1.857 . 0 0 "[ . 1 . 2]" 3
1441 1 74 CYS QB 1 92 ALA H . . 5.340 4.191 3.834 4.450 . 0 0 "[ . 1 . 2]" 3
1442 1 74 CYS QB 1 92 ALA MB . . 3.200 2.534 2.145 2.728 . 0 0 "[ . 1 . 2]" 3
1443 1 75 PRO QD 1 76 PHE QD . . 4.880 2.772 2.610 2.998 . 0 0 "[ . 1 . 2]" 3
1444 1 75 PRO QD 1 76 PHE QE . . 4.170 3.817 3.459 4.165 . 0 0 "[ . 1 . 2]" 3
1445 1 76 PHE QD 1 86 HIS QB . . 5.340 4.359 3.812 5.176 . 0 0 "[ . 1 . 2]" 3
1446 1 76 PHE QD 1 91 PRO QD . . 5.350 3.712 3.474 4.032 . 0 0 "[ . 1 . 2]" 3
1447 1 76 PHE QE 1 91 PRO QD . . 4.840 3.422 3.163 3.696 . 0 0 "[ . 1 . 2]" 3
1448 1 76 PHE HZ 1 91 PRO QD . . 4.780 4.452 3.952 4.787 0.007 3 0 "[ . 1 . 2]" 3
1449 1 78 MET H 1 83 VAL QG . . 4.540 3.616 3.205 4.192 . 0 0 "[ . 1 . 2]" 3
1450 1 78 MET HA 1 83 VAL QG . . 5.440 4.926 4.480 5.442 0.002 6 0 "[ . 1 . 2]" 3
1451 1 78 MET HG2 1 83 VAL QG . . 3.340 2.215 1.881 2.957 . 0 0 "[ . 1 . 2]" 3
1452 1 78 MET HG3 1 82 LYS QG . . 5.340 4.181 2.195 5.243 . 0 0 "[ . 1 . 2]" 3
1453 1 78 MET HG3 1 83 VAL QG . . 3.440 3.147 2.757 3.424 . 0 0 "[ . 1 . 2]" 3
1454 1 78 MET ME 1 86 HIS QB . . 3.800 3.342 3.131 3.475 . 0 0 "[ . 1 . 2]" 3
1455 1 79 ALA H 1 82 LYS QB . . 4.450 2.643 2.150 3.054 . 0 0 "[ . 1 . 2]" 3
1456 1 79 ALA H 1 83 VAL QG . . 4.670 4.398 3.916 4.791 0.121 6 0 "[ . 1 . 2]" 3
1457 1 79 ALA HA 1 82 LYS QB . . 4.410 4.218 4.006 4.442 0.032 6 0 "[ . 1 . 2]" 3
1458 1 79 ALA MB 1 82 LYS QB . . 3.270 2.243 1.947 2.545 . 0 0 "[ . 1 . 2]" 3
1459 1 79 ALA MB 1 82 LYS QE . . 5.260 3.747 1.918 5.039 . 0 0 "[ . 1 . 2]" 3
1460 1 80 ARG H 1 80 ARG QB . . 3.560 2.205 2.127 2.331 . 0 0 "[ . 1 . 2]" 3
1461 1 80 ARG H 1 83 VAL QG . . 4.320 3.933 3.628 4.244 . 0 0 "[ . 1 . 2]" 3
1462 1 80 ARG HA 1 83 VAL QG . . 2.980 2.107 1.883 2.344 . 0 0 "[ . 1 . 2]" 3
1463 1 80 ARG QB 1 81 ASN H . . 4.340 2.766 2.588 3.059 . 0 0 "[ . 1 . 2]" 3
1464 1 80 ARG QB 1 81 ASN HA . . 5.070 3.993 3.837 4.148 . 0 0 "[ . 1 . 2]" 3
1465 1 80 ARG QB 1 83 VAL QG . . 4.770 3.776 3.498 4.069 . 0 0 "[ . 1 . 2]" 3
1466 1 80 ARG QG 1 83 VAL QG . . 3.880 3.339 2.876 3.828 . 0 0 "[ . 1 . 2]" 3
1467 1 81 ASN HA 1 81 ASN QD . . 4.590 4.072 3.822 4.363 . 0 0 "[ . 1 . 2]" 3
1468 1 81 ASN HA 1 83 VAL QG . . 5.440 4.276 3.133 5.141 . 0 0 "[ . 1 . 2]" 3
1469 1 82 LYS H 1 82 LYS QB . . 3.550 2.396 2.089 2.628 . 0 0 "[ . 1 . 2]" 3
1470 1 82 LYS H 1 82 LYS QG . . 4.110 3.378 2.516 4.063 . 0 0 "[ . 1 . 2]" 3
1471 1 82 LYS H 1 83 VAL QG . . 3.780 3.283 2.819 3.599 . 0 0 "[ . 1 . 2]" 3
1472 1 82 LYS HA 1 82 LYS QG . . 3.470 2.690 2.261 3.145 . 0 0 "[ . 1 . 2]" 3
1473 1 82 LYS HA 1 82 LYS QE . . 4.710 4.213 3.875 4.515 . 0 0 "[ . 1 . 2]" 3
1474 1 82 LYS HA 1 85 GLU QB . . 3.960 3.707 3.374 3.957 . 0 0 "[ . 1 . 2]" 3
1475 1 82 LYS QB 1 82 LYS QD . . 3.130 2.271 2.109 2.542 . 0 0 "[ . 1 . 2]" 3
1476 1 82 LYS QB 1 82 LYS QE . . 4.000 3.211 2.302 3.779 . 0 0 "[ . 1 . 2]" 3
1477 1 82 LYS QB 1 83 VAL H . . 3.750 3.029 2.732 3.735 . 0 0 "[ . 1 . 2]" 3
1478 1 82 LYS QE 1 82 LYS QG . . 3.150 2.188 2.043 2.441 . 0 0 "[ . 1 . 2]" 3
1479 1 83 VAL H 1 83 VAL QG . . 2.910 2.038 1.810 2.414 . 0 0 "[ . 1 . 2]" 3
1480 1 83 VAL HA 1 83 VAL QG . . 2.830 2.208 2.017 2.382 . 0 0 "[ . 1 . 2]" 3
1481 1 83 VAL HA 1 86 HIS QB . . 3.580 2.549 2.229 2.904 . 0 0 "[ . 1 . 2]" 3
1482 1 83 VAL QG 1 84 ALA H . . 3.990 2.587 2.018 3.096 . 0 0 "[ . 1 . 2]" 3
1483 1 83 VAL QG 1 84 ALA HA . . 3.900 3.167 2.892 3.393 . 0 0 "[ . 1 . 2]" 3
1484 1 83 VAL QG 1 86 HIS QB . . 4.250 3.435 2.737 4.201 . 0 0 "[ . 1 . 2]" 3
1485 1 83 VAL QG 1 87 LEU H . . 4.740 3.712 2.974 4.439 . 0 0 "[ . 1 . 2]" 3
1486 1 83 VAL QG 1 87 LEU QB . . 4.750 3.857 3.449 4.380 . 0 0 "[ . 1 . 2]" 3
1487 1 83 VAL QG 1 87 LEU HG . . 3.980 2.628 1.935 3.587 . 0 0 "[ . 1 . 2]" 3
1488 1 84 ALA HA 1 87 LEU QB . . 3.930 2.559 2.082 2.943 . 0 0 "[ . 1 . 2]" 3
1489 1 85 GLU H 1 85 GLU QB . . 3.100 2.258 2.125 2.447 . 0 0 "[ . 1 . 2]" 3
1490 1 85 GLU H 1 85 GLU QG . . 3.820 3.201 2.179 3.899 0.079 20 0 "[ . 1 . 2]" 3
1491 1 85 GLU HA 1 85 GLU QG . . 3.230 2.615 2.177 3.305 0.075 1 0 "[ . 1 . 2]" 3
1492 1 85 GLU HA 1 88 GLU QG . . 3.410 2.713 2.441 3.025 . 0 0 "[ . 1 . 2]" 3
1493 1 85 GLU QG 1 86 HIS H . . 4.720 3.885 1.969 4.631 . 0 0 "[ . 1 . 2]" 3
1494 1 86 HIS H 1 86 HIS QB . . 3.370 2.191 2.146 2.235 . 0 0 "[ . 1 . 2]" 3
1495 1 86 HIS HA 1 89 MET QB . . 4.860 4.523 4.165 4.816 . 0 0 "[ . 1 . 2]" 3
1496 1 86 HIS QB 1 87 LEU H . . 3.900 2.683 2.485 2.933 . 0 0 "[ . 1 . 2]" 3
1497 1 86 HIS HE1 1 91 PRO QD . . 4.940 2.848 2.525 3.362 . 0 0 "[ . 1 . 2]" 3
1498 1 87 LEU H 1 87 LEU QB . . 3.330 2.311 2.182 2.472 . 0 0 "[ . 1 . 2]" 3
1499 1 87 LEU QB 1 87 LEU MD2 . . 2.920 2.283 2.243 2.301 . 0 0 "[ . 1 . 2]" 3
1500 1 87 LEU QB 1 88 GLU H . . 3.490 2.666 2.446 2.785 . 0 0 "[ . 1 . 2]" 3
1501 1 87 LEU QB 1 90 CYS H . . 4.970 4.508 4.353 4.620 . 0 0 "[ . 1 . 2]" 3
1502 1 87 LEU MD2 1 93 SER QB . . 4.210 3.035 2.350 3.721 . 0 0 "[ . 1 . 2]" 3
1503 1 88 GLU H 1 88 GLU QB . . 2.900 2.467 2.357 2.655 . 0 0 "[ . 1 . 2]" 3
1504 1 88 GLU H 1 88 GLU QG . . 2.960 2.230 2.000 2.442 . 0 0 "[ . 1 . 2]" 3
1505 1 88 GLU HA 1 88 GLU QG . . 3.060 2.657 2.257 3.339 0.279 18 0 "[ . 1 . 2]" 3
1506 1 88 GLU QB 1 89 MET H . . 3.670 2.710 2.427 3.605 . 0 0 "[ . 1 . 2]" 3
1507 1 88 GLU QG 1 89 MET H . . 4.250 3.646 1.969 4.126 . 0 0 "[ . 1 . 2]" 3
1508 1 89 MET H 1 89 MET QB . . 3.420 2.814 2.726 2.911 . 0 0 "[ . 1 . 2]" 3
1509 1 90 CYS H 1 93 SER QB . . 4.870 3.643 3.315 4.323 . 0 0 "[ . 1 . 2]" 3
1510 1 90 CYS HA 1 91 PRO QD . . 3.330 1.950 1.893 1.979 . 0 0 "[ . 1 . 2]" 3
1511 1 90 CYS HB3 1 93 SER QB . . 3.940 2.444 2.142 2.955 . 0 0 "[ . 1 . 2]" 3
1512 1 91 PRO QB 1 92 ALA H . . 4.050 2.934 2.800 3.105 . 0 0 "[ . 1 . 2]" 3
1513 1 91 PRO QD 1 92 ALA H . . 4.330 2.659 2.608 2.712 . 0 0 "[ . 1 . 2]" 3
1514 1 91 PRO QD 1 92 ALA MB . . 4.510 3.789 3.682 3.885 . 0 0 "[ . 1 . 2]" 3
1515 1 92 ALA H 1 93 SER QB . . 4.880 4.485 4.183 4.635 . 0 0 "[ . 1 . 2]" 3
1516 1 93 SER QB 1 94 VAL H . . 3.920 3.401 3.005 3.890 . 0 0 "[ . 1 . 2]" 3
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