NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508070 |
2env   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2env
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 4.939
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0029
_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 10 CYS 0.068 0.014 14 0 "[ . 1 . 2]"
1 13 CYS 0.036 0.005 6 0 "[ . 1 . 2]"
1 27 CYS 0.159 0.019 14 0 "[ . 1 . 2]"
1 30 CYS 0.039 0.008 14 0 "[ . 1 . 2]"
1 47 CYS 0.002 0.001 10 0 "[ . 1 . 2]"
1 51 CYS 0.001 0.001 20 0 "[ . 1 . 2]"
1 61 CYS 0.005 0.004 19 0 "[ . 1 . 2]"
1 64 CYS 0.008 0.003 17 0 "[ . 1 . 2]"
2 1 ZN 0.163 0.019 14 0 "[ . 1 . 2]"
3 1 ZN 0.013 0.004 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 CYS SG 2 1 ZN ZN . 2.250 2.350 2.287 2.250 2.343 . 0 0 "[ . 1 . 2]" 1
2 1 13 CYS SG 2 1 ZN ZN . 2.250 2.350 2.318 2.253 2.352 0.002 8 0 "[ . 1 . 2]" 1
3 1 27 CYS SG 2 1 ZN ZN . 2.250 2.350 2.252 2.236 2.284 0.014 14 0 "[ . 1 . 2]" 1
4 1 30 CYS SG 2 1 ZN ZN . 2.250 2.350 2.337 2.267 2.354 0.004 6 0 "[ . 1 . 2]" 1
5 1 10 CYS SG 1 13 CYS SG . 3.650 3.850 3.747 3.650 3.853 0.003 14 0 "[ . 1 . 2]" 1
6 1 10 CYS SG 1 27 CYS SG . 3.650 3.850 3.846 3.810 3.864 0.014 14 0 "[ . 1 . 2]" 1
7 1 10 CYS SG 1 30 CYS SG . 3.650 3.850 3.755 3.648 3.858 0.008 14 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 27 CYS SG . 3.650 3.850 3.709 3.649 3.819 0.001 15 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 30 CYS SG . 3.650 3.850 3.756 3.648 3.850 0.002 18 0 "[ . 1 . 2]" 1
10 1 27 CYS SG 1 30 CYS SG . 3.650 3.850 3.682 3.645 3.786 0.005 14 0 "[ . 1 . 2]" 1
11 1 10 CYS CB 2 1 ZN ZN . 3.100 3.400 3.134 3.093 3.232 0.007 14 0 "[ . 1 . 2]" 1
12 1 13 CYS CB 2 1 ZN ZN . 3.100 3.400 3.373 3.248 3.405 0.005 6 0 "[ . 1 . 2]" 1
13 1 27 CYS CB 2 1 ZN ZN . 3.100 3.400 3.401 3.388 3.419 0.019 14 0 "[ . 1 . 2]" 1
14 1 30 CYS CB 2 1 ZN ZN . 3.100 3.400 3.342 3.202 3.403 0.003 6 0 "[ . 1 . 2]" 1
15 1 47 CYS SG 3 1 ZN ZN . 2.250 2.350 2.315 2.255 2.350 0.000 20 0 "[ . 1 . 2]" 1
16 1 51 CYS SG 3 1 ZN ZN . 2.250 2.350 2.311 2.255 2.351 0.001 20 0 "[ . 1 . 2]" 1
17 1 61 CYS SG 3 1 ZN ZN . 2.250 2.350 2.308 2.250 2.354 0.004 19 0 "[ . 1 . 2]" 1
18 1 64 CYS SG 3 1 ZN ZN . 2.250 2.350 2.275 2.247 2.332 0.003 17 0 "[ . 1 . 2]" 1
19 1 47 CYS SG 1 51 CYS SG . 3.650 3.850 3.697 3.652 3.797 . 0 0 "[ . 1 . 2]" 1
20 1 47 CYS SG 1 61 CYS SG . 3.650 3.850 3.778 3.662 3.851 0.001 4 0 "[ . 1 . 2]" 1
21 1 47 CYS SG 1 64 CYS SG . 3.650 3.850 3.760 3.652 3.851 0.001 10 0 "[ . 1 . 2]" 1
22 1 51 CYS SG 1 61 CYS SG . 3.650 3.850 3.766 3.667 3.832 . 0 0 "[ . 1 . 2]" 1
23 1 51 CYS SG 1 64 CYS SG . 3.650 3.850 3.785 3.666 3.843 . 0 0 "[ . 1 . 2]" 1
24 1 61 CYS SG 1 64 CYS SG . 3.650 . 3.754 3.655 3.959 . 0 0 "[ . 1 . 2]" 1
25 1 47 CYS CB 3 1 ZN ZN . 3.100 3.400 3.221 3.135 3.397 . 0 0 "[ . 1 . 2]" 1
26 1 51 CYS CB 3 1 ZN ZN . 3.100 3.400 3.241 3.105 3.347 . 0 0 "[ . 1 . 2]" 1
27 1 61 CYS CB 3 1 ZN ZN . 3.100 3.400 3.191 3.102 3.395 . 0 0 "[ . 1 . 2]" 1
28 1 64 CYS CB 3 1 ZN ZN . 3.100 3.400 3.367 3.175 3.402 0.002 6 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 1128
_Distance_constraint_stats_list.Viol_count 231
_Distance_constraint_stats_list.Viol_total 87.150
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0189
_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 7 GLY 0.015 0.015 15 0 "[ . 1 . 2]"
1 8 MET 0.093 0.045 14 0 "[ . 1 . 2]"
1 9 GLU 0.526 0.141 14 0 "[ . 1 . 2]"
1 10 CYS 0.129 0.028 6 0 "[ . 1 . 2]"
1 11 ARG 0.235 0.093 17 0 "[ . 1 . 2]"
1 12 VAL 0.353 0.055 15 0 "[ . 1 . 2]"
1 13 CYS 0.042 0.021 14 0 "[ . 1 . 2]"
1 14 GLY 0.518 0.141 14 0 "[ . 1 . 2]"
1 15 ASP 0.079 0.028 6 0 "[ . 1 . 2]"
1 16 LYS 0.303 0.150 11 0 "[ . 1 . 2]"
1 17 ALA 0.011 0.006 20 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.008 0.008 20 0 "[ . 1 . 2]"
1 20 PHE 0.003 0.003 4 0 "[ . 1 . 2]"
1 21 HIS 0.028 0.016 15 0 "[ . 1 . 2]"
1 22 TYR 0.040 0.008 3 0 "[ . 1 . 2]"
1 23 GLY 0.060 0.022 4 0 "[ . 1 . 2]"
1 24 VAL 0.224 0.066 19 0 "[ . 1 . 2]"
1 25 HIS 0.103 0.066 19 0 "[ . 1 . 2]"
1 26 ALA 0.048 0.016 15 0 "[ . 1 . 2]"
1 27 CYS 0.054 0.018 6 0 "[ . 1 . 2]"
1 28 GLU 0.002 0.002 16 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 CYS 0.008 0.008 12 0 "[ . 1 . 2]"
1 31 LYS 0.160 0.155 12 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.003 0.002 19 0 "[ . 1 . 2]"
1 34 PHE 0.040 0.016 15 0 "[ . 1 . 2]"
1 35 ARG 0.116 0.039 15 0 "[ . 1 . 2]"
1 36 ARG 0.079 0.041 15 0 "[ . 1 . 2]"
1 37 THR 0.015 0.006 18 0 "[ . 1 . 2]"
1 38 ILE 0.014 0.007 15 0 "[ . 1 . 2]"
1 39 ARG 0.617 0.102 12 0 "[ . 1 . 2]"
1 40 MET 0.388 0.160 19 0 "[ . 1 . 2]"
1 41 LYS 0.018 0.015 13 0 "[ . 1 . 2]"
1 42 LEU 0.021 0.011 2 0 "[ . 1 . 2]"
1 43 GLU 0.263 0.065 19 0 "[ . 1 . 2]"
1 44 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.001 0.001 16 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.228 0.179 13 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.007 0.002 17 0 "[ . 1 . 2]"
1 52 LYS 0.017 0.007 1 0 "[ . 1 . 2]"
1 53 ILE 0.089 0.074 12 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.031 0.017 15 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.023 0.023 17 0 "[ . 1 . 2]"
1 58 ARG 0.020 0.011 17 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.023 0.023 17 0 "[ . 1 . 2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.003 0.002 19 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.024 0.008 20 0 "[ . 1 . 2]"
1 65 ARG 0.031 0.019 20 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.013 0.004 9 0 "[ . 1 . 2]"
1 68 LYS 0.288 0.052 9 0 "[ . 1 . 2]"
1 69 CYS 0.009 0.004 9 0 "[ . 1 . 2]"
1 70 LEU 0.009 0.004 15 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.007 0.004 8 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 MET 0.496 0.115 15 0 "[ . 1 . 2]"
1 75 SER 0.352 0.115 15 0 "[ . 1 . 2]"
1 76 HIS 0.004 0.003 20 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.015 0.005 19 0 "[ . 1 . 2]"
1 79 ILE 0.005 0.004 20 0 "[ . 1 . 2]"
1 80 ARG 0.038 0.033 3 0 "[ . 1 . 2]"
1 81 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 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 47 CYS HA 1 49 ARG H . . 4.790 3.676 3.484 3.860 . 0 0 "[ . 1 . 2]" 2
2 1 49 ARG H 1 49 ARG HB2 . . 3.740 2.445 2.242 2.713 . 0 0 "[ . 1 . 2]" 2
3 1 49 ARG H 1 49 ARG HB3 . . 4.130 3.588 3.527 3.624 . 0 0 "[ . 1 . 2]" 2
4 1 49 ARG H 1 49 ARG HG3 . . 4.530 2.722 1.917 3.646 . 0 0 "[ . 1 . 2]" 2
5 1 13 CYS H 1 15 ASP H . . 4.610 4.457 4.257 4.631 0.021 14 0 "[ . 1 . 2]" 2
6 1 10 CYS HB3 1 15 ASP H . . 3.550 3.257 3.101 3.455 . 0 0 "[ . 1 . 2]" 2
7 1 10 CYS H 1 15 ASP H . . 4.830 4.493 4.028 4.828 . 0 0 "[ . 1 . 2]" 2
8 1 15 ASP H 1 55 LYS HA . . 4.990 3.854 2.901 4.615 . 0 0 "[ . 1 . 2]" 2
9 1 15 ASP H 1 15 ASP HB2 . . 3.350 2.385 2.189 2.668 . 0 0 "[ . 1 . 2]" 2
10 1 13 CYS HB2 1 15 ASP H . . 4.550 3.527 3.364 3.791 . 0 0 "[ . 1 . 2]" 2
11 1 51 CYS HB3 1 52 LYS H . . 4.680 2.828 2.399 3.189 . 0 0 "[ . 1 . 2]" 2
12 1 51 CYS HB2 1 52 LYS H . . 4.150 3.690 3.246 4.065 . 0 0 "[ . 1 . 2]" 2
13 1 52 LYS H 1 52 LYS HB2 . . 4.110 2.610 2.262 3.747 . 0 0 "[ . 1 . 2]" 2
14 1 52 LYS H 1 52 LYS HG2 . . 4.700 3.856 1.948 4.642 . 0 0 "[ . 1 . 2]" 2
15 1 52 LYS H 1 52 LYS HG3 . . 4.700 3.862 2.595 4.707 0.007 1 0 "[ . 1 . 2]" 2
16 1 8 MET HA 1 9 GLU H . . 3.040 2.244 2.142 2.658 . 0 0 "[ . 1 . 2]" 2
17 1 8 MET QG 1 9 GLU H . . 4.470 3.757 2.211 4.502 0.032 3 0 "[ . 1 . 2]" 2
18 1 9 GLU H 1 9 GLU QG . . 3.800 3.047 2.270 3.821 0.021 10 0 "[ . 1 . 2]" 2
19 1 9 GLU H 1 9 GLU QB . . 3.370 2.774 2.281 3.179 . 0 0 "[ . 1 . 2]" 2
20 1 20 PHE H 1 20 PHE HB2 . . 4.160 2.718 2.229 3.354 . 0 0 "[ . 1 . 2]" 2
21 1 20 PHE H 1 20 PHE HB3 . . 4.160 2.771 2.448 2.896 . 0 0 "[ . 1 . 2]" 2
22 1 15 ASP HA 1 16 LYS H . . 3.180 2.353 2.271 2.550 . 0 0 "[ . 1 . 2]" 2
23 1 16 LYS H 1 16 LYS QB . . 2.980 2.228 2.138 2.424 . 0 0 "[ . 1 . 2]" 2
24 1 16 LYS H 1 16 LYS HG2 . . 4.460 3.890 2.288 4.504 0.044 16 0 "[ . 1 . 2]" 2
25 1 16 LYS H 1 16 LYS HG3 . . 4.460 3.988 2.392 4.457 . 0 0 "[ . 1 . 2]" 2
26 1 54 GLN HA 1 55 LYS H . . 3.440 2.362 2.211 2.599 . 0 0 "[ . 1 . 2]" 2
27 1 13 CYS HB2 1 55 LYS H . . 4.940 4.416 3.252 4.906 . 0 0 "[ . 1 . 2]" 2
28 1 54 GLN HB2 1 55 LYS H . . 4.170 3.818 2.821 4.146 . 0 0 "[ . 1 . 2]" 2
29 1 54 GLN HB3 1 55 LYS H . . 4.170 3.005 2.032 4.031 . 0 0 "[ . 1 . 2]" 2
30 1 55 LYS H 1 55 LYS QB . . 3.290 2.444 2.214 2.619 . 0 0 "[ . 1 . 2]" 2
31 1 55 LYS H 1 55 LYS QG . . 4.310 2.637 1.891 3.983 . 0 0 "[ . 1 . 2]" 2
32 1 64 CYS H 1 65 ARG H . . 4.010 2.965 2.828 3.115 . 0 0 "[ . 1 . 2]" 2
33 1 63 TYR QD 1 64 CYS H . . 3.960 2.818 2.173 3.377 . 0 0 "[ . 1 . 2]" 2
34 1 63 TYR HB2 1 64 CYS H . . 3.960 3.548 3.371 3.772 . 0 0 "[ . 1 . 2]" 2
35 1 63 TYR HB3 1 64 CYS H . . 3.300 2.064 1.912 2.328 . 0 0 "[ . 1 . 2]" 2
36 1 64 CYS H 1 64 CYS HB2 . . 3.270 2.479 2.358 2.566 . 0 0 "[ . 1 . 2]" 2
37 1 53 ILE MD 1 64 CYS H . . 4.830 4.667 4.403 4.838 0.008 20 0 "[ . 1 . 2]" 2
38 1 64 CYS HA 1 68 LYS H . . 4.560 3.838 3.553 4.171 . 0 0 "[ . 1 . 2]" 2
39 1 65 ARG HA 1 68 LYS H . . 4.130 3.966 3.786 4.149 0.019 20 0 "[ . 1 . 2]" 2
40 1 66 PHE HB3 1 68 LYS H . . 5.500 5.146 4.835 5.367 . 0 0 "[ . 1 . 2]" 2
41 1 68 LYS H 1 69 CYS HB2 . . 5.500 4.932 4.789 5.078 . 0 0 "[ . 1 . 2]" 2
42 1 64 CYS HB3 1 68 LYS H . . 5.470 4.757 4.464 5.001 . 0 0 "[ . 1 . 2]" 2
43 1 68 LYS H 1 69 CYS HG . . 5.500 5.119 4.597 5.481 . 0 0 "[ . 1 . 2]" 2
44 1 67 GLN HB3 1 68 LYS H . . 3.660 3.156 2.937 3.370 . 0 0 "[ . 1 . 2]" 2
45 1 67 GLN HB2 1 68 LYS H . . 3.270 2.518 2.338 2.718 . 0 0 "[ . 1 . 2]" 2
46 1 68 LYS H 1 68 LYS HB2 . . 3.480 2.455 2.294 2.833 . 0 0 "[ . 1 . 2]" 2
47 1 68 LYS H 1 68 LYS QD . . 4.410 4.318 4.225 4.461 0.051 8 0 "[ . 1 . 2]" 2
48 1 68 LYS H 1 71 ALA MB . . 5.450 4.675 4.335 4.875 . 0 0 "[ . 1 . 2]" 2
49 1 68 LYS H 1 68 LYS HG3 . . 4.870 4.379 4.270 4.498 . 0 0 "[ . 1 . 2]" 2
50 1 43 GLU H 1 44 TYR H . . 4.920 4.494 4.314 4.566 . 0 0 "[ . 1 . 2]" 2
51 1 42 LEU HA 1 43 GLU H . . 2.730 2.238 2.140 2.553 . 0 0 "[ . 1 . 2]" 2
52 1 43 GLU H 1 43 GLU HG2 . . 4.690 3.876 2.028 4.639 . 0 0 "[ . 1 . 2]" 2
53 1 43 GLU H 1 43 GLU HB2 . . 3.830 3.038 2.364 3.804 . 0 0 "[ . 1 . 2]" 2
54 1 43 GLU H 1 43 GLU HB3 . . 3.830 2.941 2.454 3.741 . 0 0 "[ . 1 . 2]" 2
55 1 42 LEU HB2 1 43 GLU H . . 4.270 3.923 3.261 4.256 . 0 0 "[ . 1 . 2]" 2
56 1 42 LEU HB3 1 43 GLU H . . 3.570 2.956 2.134 3.485 . 0 0 "[ . 1 . 2]" 2
57 1 42 LEU MD2 1 43 GLU H . . 3.800 3.580 3.298 3.764 . 0 0 "[ . 1 . 2]" 2
58 1 35 ARG HA 1 39 ARG H . . 4.670 3.798 3.625 4.089 . 0 0 "[ . 1 . 2]" 2
59 1 39 ARG H 1 39 ARG HB3 . . 3.280 2.481 2.203 2.627 . 0 0 "[ . 1 . 2]" 2
60 1 38 ILE HB 1 39 ARG H . . 3.390 2.104 2.037 2.230 . 0 0 "[ . 1 . 2]" 2
61 1 38 ILE HG12 1 39 ARG H . . 4.650 4.043 3.937 4.156 . 0 0 "[ . 1 . 2]" 2
62 1 38 ILE HG13 1 39 ARG H . . 4.650 4.503 4.392 4.622 . 0 0 "[ . 1 . 2]" 2
63 1 38 ILE MG 1 39 ARG H . . 4.030 3.057 2.897 3.301 . 0 0 "[ . 1 . 2]" 2
64 1 66 PHE H 1 66 PHE QD . . 4.350 4.160 4.085 4.191 . 0 0 "[ . 1 . 2]" 2
65 1 33 PHE QE 1 66 PHE H . . 4.140 3.086 2.508 3.798 . 0 0 "[ . 1 . 2]" 2
66 1 66 PHE H 1 66 PHE HB2 . . 3.400 2.478 2.342 2.622 . 0 0 "[ . 1 . 2]" 2
67 1 66 PHE H 1 66 PHE HB3 . . 3.430 2.596 2.452 2.743 . 0 0 "[ . 1 . 2]" 2
68 1 65 ARG QB 1 66 PHE H . . 3.670 2.298 2.018 2.494 . 0 0 "[ . 1 . 2]" 2
69 1 65 ARG H 1 66 PHE H . . 4.110 2.927 2.649 3.102 . 0 0 "[ . 1 . 2]" 2
70 1 66 PHE H 1 68 LYS H . . 4.590 4.406 4.119 4.586 . 0 0 "[ . 1 . 2]" 2
71 1 33 PHE HZ 1 66 PHE H . . 4.240 3.051 2.243 3.490 . 0 0 "[ . 1 . 2]" 2
72 1 63 TYR HA 1 66 PHE H . . 4.480 3.669 3.344 3.895 . 0 0 "[ . 1 . 2]" 2
73 1 30 CYS H 1 31 LYS H . . 3.490 2.874 2.334 3.082 . 0 0 "[ . 1 . 2]" 2
74 1 30 CYS HB2 1 31 LYS H . . 3.980 2.439 2.182 3.098 . 0 0 "[ . 1 . 2]" 2
75 1 31 LYS H 1 31 LYS HB3 . . 3.310 2.675 2.193 3.465 0.155 12 0 "[ . 1 . 2]" 2
76 1 31 LYS H 1 31 LYS HB2 . . 3.310 2.472 2.154 2.927 . 0 0 "[ . 1 . 2]" 2
77 1 26 ALA MB 1 31 LYS H . . 4.010 3.324 2.730 3.787 . 0 0 "[ . 1 . 2]" 2
78 1 31 LYS H 1 31 LYS QG . . 4.180 3.900 2.992 3.995 . 0 0 "[ . 1 . 2]" 2
79 1 63 TYR H 1 64 CYS H . . 3.610 3.042 2.839 3.222 . 0 0 "[ . 1 . 2]" 2
80 1 62 GLN H 1 63 TYR H . . 4.250 2.514 2.333 2.657 . 0 0 "[ . 1 . 2]" 2
81 1 63 TYR H 1 63 TYR QD . . 4.280 4.155 4.004 4.205 . 0 0 "[ . 1 . 2]" 2
82 1 44 TYR QD 1 63 TYR H . . 4.630 4.160 3.650 4.591 . 0 0 "[ . 1 . 2]" 2
83 1 63 TYR H 1 63 TYR HB2 . . 3.190 2.462 2.255 2.683 . 0 0 "[ . 1 . 2]" 2
84 1 63 TYR H 1 63 TYR HB3 . . 3.390 2.623 2.416 2.861 . 0 0 "[ . 1 . 2]" 2
85 1 44 TYR HB2 1 63 TYR H . . 5.170 4.144 3.487 4.933 . 0 0 "[ . 1 . 2]" 2
86 1 62 GLN HB2 1 63 TYR H . . 4.370 2.503 2.200 2.828 . 0 0 "[ . 1 . 2]" 2
87 1 62 GLN HB3 1 63 TYR H . . 4.370 3.155 2.689 3.443 . 0 0 "[ . 1 . 2]" 2
88 1 47 CYS HB2 1 63 TYR H . . 4.820 4.539 4.051 4.805 . 0 0 "[ . 1 . 2]" 2
89 1 70 LEU HA 1 74 MET H . . 3.830 3.270 2.748 3.834 0.004 15 0 "[ . 1 . 2]" 2
90 1 74 MET H 1 74 MET HG3 . . 3.390 2.799 2.317 3.452 0.062 5 0 "[ . 1 . 2]" 2
91 1 72 LEU HB2 1 74 MET H . . 4.300 3.283 2.851 3.730 . 0 0 "[ . 1 . 2]" 2
92 1 72 LEU HB3 1 74 MET H . . 4.840 4.209 3.648 4.802 . 0 0 "[ . 1 . 2]" 2
93 1 74 MET H 1 74 MET HB2 . . 3.270 2.283 2.178 2.485 . 0 0 "[ . 1 . 2]" 2
94 1 74 MET H 1 74 MET HB3 . . 3.830 3.539 3.482 3.594 . 0 0 "[ . 1 . 2]" 2
95 1 74 MET H 1 74 MET HG2 . . 4.120 3.584 2.696 3.896 . 0 0 "[ . 1 . 2]" 2
96 1 12 VAL H 1 14 GLY H . . 4.070 3.642 3.204 4.110 0.040 17 0 "[ . 1 . 2]" 2
97 1 12 VAL H 1 26 ALA HA . . 4.700 3.821 3.381 4.414 . 0 0 "[ . 1 . 2]" 2
98 1 10 CYS HA 1 12 VAL H . . 4.190 3.813 3.608 4.104 . 0 0 "[ . 1 . 2]" 2
99 1 10 CYS HB3 1 12 VAL H . . 4.810 3.720 3.177 4.253 . 0 0 "[ . 1 . 2]" 2
100 1 12 VAL H 1 12 VAL HB . . 3.180 2.612 2.420 2.753 . 0 0 "[ . 1 . 2]" 2
101 1 11 ARG HB3 1 12 VAL H . . 4.520 4.127 3.693 4.511 . 0 0 "[ . 1 . 2]" 2
102 1 11 ARG HB2 1 12 VAL H . . 4.020 3.370 2.765 4.075 0.055 15 0 "[ . 1 . 2]" 2
103 1 12 VAL H 1 26 ALA MB . . 4.730 4.200 3.618 4.734 0.004 16 0 "[ . 1 . 2]" 2
104 1 12 VAL H 1 12 VAL MG2 . . 3.010 2.427 1.838 2.933 . 0 0 "[ . 1 . 2]" 2
105 1 12 VAL H 1 12 VAL MG1 . . 3.850 3.801 3.743 3.887 0.037 19 0 "[ . 1 . 2]" 2
106 1 12 VAL H 1 72 LEU MD1 . . 4.310 3.521 2.819 4.313 0.003 5 0 "[ . 1 . 2]" 2
107 1 22 TYR H 1 23 GLY H . . 4.520 2.689 2.536 2.785 . 0 0 "[ . 1 . 2]" 2
108 1 22 TYR H 1 22 TYR QD . . 4.600 3.321 2.935 3.496 . 0 0 "[ . 1 . 2]" 2
109 1 21 HIS HB3 1 22 TYR H . . 4.930 2.998 2.653 3.653 . 0 0 "[ . 1 . 2]" 2
110 1 76 HIS HA 1 79 ILE H . . 4.900 4.038 3.553 4.900 0.000 19 0 "[ . 1 . 2]" 2
111 1 77 ASN HA 1 79 ILE H . . 5.500 4.100 3.443 4.971 . 0 0 "[ . 1 . 2]" 2
112 1 79 ILE H 1 79 ILE HB . . 3.360 2.627 2.509 2.757 . 0 0 "[ . 1 . 2]" 2
113 1 78 ALA MB 1 79 ILE H . . 3.920 2.783 2.145 3.691 . 0 0 "[ . 1 . 2]" 2
114 1 79 ILE H 1 79 ILE HG12 . . 3.970 2.990 1.924 3.939 . 0 0 "[ . 1 . 2]" 2
115 1 79 ILE H 1 79 ILE HG13 . . 3.970 2.805 1.918 3.641 . 0 0 "[ . 1 . 2]" 2
116 1 79 ILE H 1 79 ILE MG . . 4.110 3.781 3.759 3.838 . 0 0 "[ . 1 . 2]" 2
117 1 27 CYS HA 1 28 GLU H . . 3.340 2.463 2.327 2.581 . 0 0 "[ . 1 . 2]" 2
118 1 27 CYS QB 1 28 GLU H . . 3.430 2.362 2.148 2.634 . 0 0 "[ . 1 . 2]" 2
119 1 28 GLU H 1 28 GLU HG3 . . 3.920 3.026 2.024 3.769 . 0 0 "[ . 1 . 2]" 2
120 1 28 GLU H 1 28 GLU QB . . 3.370 2.396 2.194 2.622 . 0 0 "[ . 1 . 2]" 2
121 1 26 ALA H 1 27 CYS H . . 5.210 4.486 4.443 4.536 . 0 0 "[ . 1 . 2]" 2
122 1 27 CYS H 1 31 LYS H . . 5.360 3.809 3.368 4.209 . 0 0 "[ . 1 . 2]" 2
123 1 26 ALA HA 1 27 CYS H . . 3.040 2.410 2.301 2.510 . 0 0 "[ . 1 . 2]" 2
124 1 10 CYS HA 1 27 CYS H . . 4.030 3.940 3.721 4.048 0.018 6 0 "[ . 1 . 2]" 2
125 1 17 ALA HA 1 27 CYS H . . 4.400 4.150 3.778 4.400 0.000 4 0 "[ . 1 . 2]" 2
126 1 27 CYS H 1 27 CYS QB . . 3.630 2.661 2.597 2.716 . 0 0 "[ . 1 . 2]" 2
127 1 10 CYS HB3 1 27 CYS H . . 4.270 4.174 3.931 4.273 0.003 20 0 "[ . 1 . 2]" 2
128 1 27 CYS H 1 30 CYS HB2 . . 3.940 2.799 2.442 3.025 . 0 0 "[ . 1 . 2]" 2
129 1 27 CYS H 1 30 CYS HB3 . . 4.530 4.366 4.014 4.538 0.008 12 0 "[ . 1 . 2]" 2
130 1 10 CYS HB2 1 27 CYS H . . 3.460 3.011 2.756 3.132 . 0 0 "[ . 1 . 2]" 2
131 1 26 ALA MB 1 27 CYS H . . 3.330 2.396 2.193 2.609 . 0 0 "[ . 1 . 2]" 2
132 1 17 ALA MB 1 27 CYS H . . 4.770 4.464 3.665 4.776 0.006 20 0 "[ . 1 . 2]" 2
133 1 36 ARG H 1 37 THR HG1 . . 4.720 4.607 4.443 4.721 0.001 15 0 "[ . 1 . 2]" 2
134 1 33 PHE HA 1 36 ARG H . . 4.280 3.979 3.805 4.146 . 0 0 "[ . 1 . 2]" 2
135 1 32 GLY HA2 1 36 ARG H . . 4.430 3.729 3.559 3.997 . 0 0 "[ . 1 . 2]" 2
136 1 36 ARG H 1 37 THR HB . . 5.450 5.204 5.056 5.349 . 0 0 "[ . 1 . 2]" 2
137 1 36 ARG H 1 36 ARG QD . . 4.740 4.514 4.340 4.732 . 0 0 "[ . 1 . 2]" 2
138 1 35 ARG HB2 1 36 ARG H . . 3.850 3.642 3.318 3.858 0.008 1 0 "[ . 1 . 2]" 2
139 1 35 ARG HB3 1 36 ARG H . . 3.350 2.250 1.994 2.470 . 0 0 "[ . 1 . 2]" 2
140 1 36 ARG H 1 36 ARG HB2 . . 3.220 2.575 2.481 2.776 . 0 0 "[ . 1 . 2]" 2
141 1 36 ARG H 1 36 ARG HB3 . . 3.220 2.502 2.293 2.623 . 0 0 "[ . 1 . 2]" 2
142 1 36 ARG H 1 36 ARG HG3 . . 4.880 4.444 4.410 4.495 . 0 0 "[ . 1 . 2]" 2
143 1 40 MET HB3 1 42 LEU H . . 4.600 3.929 3.624 4.255 . 0 0 "[ . 1 . 2]" 2
144 1 39 ARG H 1 41 LYS H . . 4.390 3.913 3.816 4.028 . 0 0 "[ . 1 . 2]" 2
145 1 40 MET H 1 41 LYS H . . 3.000 2.244 2.123 2.448 . 0 0 "[ . 1 . 2]" 2
146 1 41 LYS H 1 42 LEU HA . . 5.500 5.251 5.141 5.349 . 0 0 "[ . 1 . 2]" 2
147 1 39 ARG HA 1 41 LYS H . . 4.370 4.077 3.870 4.342 . 0 0 "[ . 1 . 2]" 2
148 1 41 LYS H 1 41 LYS HA . . 2.670 2.283 2.274 2.317 . 0 0 "[ . 1 . 2]" 2
149 1 38 ILE HA 1 41 LYS H . . 3.920 3.177 2.949 3.348 . 0 0 "[ . 1 . 2]" 2
150 1 40 MET HB3 1 41 LYS H . . 4.510 4.118 3.898 4.342 . 0 0 "[ . 1 . 2]" 2
151 1 40 MET HB2 1 41 LYS H . . 3.790 3.287 3.046 3.789 . 0 0 "[ . 1 . 2]" 2
152 1 41 LYS H 1 41 LYS QD . . 5.500 4.165 2.410 4.866 . 0 0 "[ . 1 . 2]" 2
153 1 41 LYS H 1 41 LYS QG . . 3.430 2.811 2.414 3.211 . 0 0 "[ . 1 . 2]" 2
154 1 41 LYS H 1 42 LEU MD1 . . 5.030 4.933 4.724 5.033 0.003 17 0 "[ . 1 . 2]" 2
155 1 42 LEU H 1 43 GLU H . . 4.610 4.568 4.464 4.614 0.004 10 0 "[ . 1 . 2]" 2
156 1 41 LYS HA 1 42 LEU H . . 3.020 2.759 2.689 2.864 . 0 0 "[ . 1 . 2]" 2
157 1 37 THR HA 1 42 LEU H . . 3.590 2.937 2.534 3.308 . 0 0 "[ . 1 . 2]" 2
158 1 40 MET HB2 1 42 LEU H . . 3.990 3.161 2.960 3.350 . 0 0 "[ . 1 . 2]" 2
159 1 42 LEU H 1 42 LEU HG . . 3.060 2.249 2.099 2.375 . 0 0 "[ . 1 . 2]" 2
160 1 42 LEU H 1 42 LEU HB2 . . 3.140 2.527 2.470 2.618 . 0 0 "[ . 1 . 2]" 2
161 1 42 LEU H 1 42 LEU HB3 . . 3.940 3.606 3.582 3.624 . 0 0 "[ . 1 . 2]" 2
162 1 42 LEU H 1 42 LEU MD1 . . 4.180 3.453 3.218 3.603 . 0 0 "[ . 1 . 2]" 2
163 1 42 LEU H 1 42 LEU MD2 . . 3.760 3.515 3.378 3.678 . 0 0 "[ . 1 . 2]" 2
164 1 37 THR MG 1 42 LEU H . . 3.670 2.888 2.361 3.364 . 0 0 "[ . 1 . 2]" 2
165 1 38 ILE H 1 39 ARG H . . 3.180 2.742 2.635 2.881 . 0 0 "[ . 1 . 2]" 2
166 1 36 ARG H 1 38 ILE H . . 4.710 4.140 3.890 4.403 . 0 0 "[ . 1 . 2]" 2
167 1 37 THR HG1 1 38 ILE H . . 4.470 4.137 3.936 4.323 . 0 0 "[ . 1 . 2]" 2
168 1 34 PHE HA 1 38 ILE H . . 4.660 4.584 4.470 4.667 0.007 15 0 "[ . 1 . 2]" 2
169 1 37 THR HB 1 38 ILE H . . 3.120 2.816 2.505 3.102 . 0 0 "[ . 1 . 2]" 2
170 1 38 ILE H 1 38 ILE HB . . 3.000 2.536 2.471 2.603 . 0 0 "[ . 1 . 2]" 2
171 1 38 ILE H 1 38 ILE HG12 . . 3.790 2.211 2.004 2.428 . 0 0 "[ . 1 . 2]" 2
172 1 38 ILE H 1 38 ILE HG13 . . 3.790 3.638 3.441 3.790 0.000 12 0 "[ . 1 . 2]" 2
173 1 38 ILE H 1 38 ILE MG . . 3.980 3.776 3.762 3.794 . 0 0 "[ . 1 . 2]" 2
174 1 38 ILE H 1 38 ILE MD . . 3.920 3.341 2.928 3.548 . 0 0 "[ . 1 . 2]" 2
175 1 37 THR MG 1 38 ILE H . . 3.850 3.691 3.513 3.854 0.004 13 0 "[ . 1 . 2]" 2
176 1 10 CYS HB3 1 13 CYS H . . 4.020 3.078 2.713 3.443 . 0 0 "[ . 1 . 2]" 2
177 1 12 VAL HB 1 13 CYS H . . 3.190 2.278 1.872 2.707 . 0 0 "[ . 1 . 2]" 2
178 1 13 CYS H 1 13 CYS HB3 . . 3.860 2.849 2.644 3.086 . 0 0 "[ . 1 . 2]" 2
179 1 12 VAL MG2 1 13 CYS H . . 4.000 3.685 3.366 3.920 . 0 0 "[ . 1 . 2]" 2
180 1 12 VAL MG1 1 13 CYS H . . 3.910 3.187 2.584 3.507 . 0 0 "[ . 1 . 2]" 2
181 1 13 CYS H 1 14 GLY HA2 . . 4.630 4.381 4.123 4.631 0.001 14 0 "[ . 1 . 2]" 2
182 1 13 CYS H 1 53 ILE MG . . 4.880 4.131 3.368 4.875 . 0 0 "[ . 1 . 2]" 2
183 1 34 PHE H 1 35 ARG H . . 3.410 3.102 2.911 3.280 . 0 0 "[ . 1 . 2]" 2
184 1 22 TYR QE 1 35 ARG H . . 4.790 4.421 3.942 4.653 . 0 0 "[ . 1 . 2]" 2
185 1 34 PHE QD 1 35 ARG H . . 4.170 2.966 2.644 3.327 . 0 0 "[ . 1 . 2]" 2
186 1 32 GLY HA2 1 35 ARG H . . 4.310 4.061 3.681 4.309 . 0 0 "[ . 1 . 2]" 2
187 1 34 PHE HB2 1 35 ARG H . . 3.940 3.605 3.421 3.763 . 0 0 "[ . 1 . 2]" 2
188 1 35 ARG H 1 35 ARG QD . . 4.510 4.425 3.923 4.549 0.039 15 0 "[ . 1 . 2]" 2
189 1 34 PHE HB3 1 35 ARG H . . 3.440 2.115 1.947 2.311 . 0 0 "[ . 1 . 2]" 2
190 1 35 ARG H 1 35 ARG HB2 . . 3.210 2.417 2.176 2.618 . 0 0 "[ . 1 . 2]" 2
191 1 35 ARG H 1 35 ARG HB3 . . 3.300 2.670 2.446 3.047 . 0 0 "[ . 1 . 2]" 2
192 1 35 ARG H 1 35 ARG HG2 . . 4.860 4.503 4.011 4.660 . 0 0 "[ . 1 . 2]" 2
193 1 35 ARG H 1 35 ARG HG3 . . 4.860 4.374 4.099 4.498 . 0 0 "[ . 1 . 2]" 2
194 1 20 PHE HA 1 24 VAL H . . 5.500 4.531 4.207 5.449 . 0 0 "[ . 1 . 2]" 2
195 1 24 VAL H 1 74 MET HA . . 5.500 4.911 3.764 5.359 . 0 0 "[ . 1 . 2]" 2
196 1 70 LEU H 1 71 ALA H . . 3.260 2.810 2.622 2.949 . 0 0 "[ . 1 . 2]" 2
197 1 67 GLN HA 1 70 LEU H . . 3.800 3.564 3.412 3.779 . 0 0 "[ . 1 . 2]" 2
198 1 69 CYS HB2 1 70 LEU H . . 3.420 2.494 2.190 2.758 . 0 0 "[ . 1 . 2]" 2
199 1 69 CYS HG 1 70 LEU H . . 5.020 4.825 4.591 4.998 . 0 0 "[ . 1 . 2]" 2
200 1 69 CYS HB3 1 70 LEU H . . 3.960 3.279 3.030 3.560 . 0 0 "[ . 1 . 2]" 2
201 1 70 LEU H 1 70 LEU HB2 . . 3.160 2.513 2.397 2.607 . 0 0 "[ . 1 . 2]" 2
202 1 70 LEU H 1 70 LEU HB3 . . 3.780 3.586 3.578 3.600 . 0 0 "[ . 1 . 2]" 2
203 1 70 LEU H 1 70 LEU HG . . 3.060 2.199 2.044 2.461 . 0 0 "[ . 1 . 2]" 2
204 1 70 LEU H 1 70 LEU MD2 . . 3.790 3.443 3.108 3.787 . 0 0 "[ . 1 . 2]" 2
205 1 23 GLY H 1 24 VAL H . . 3.700 2.731 2.579 3.122 . 0 0 "[ . 1 . 2]" 2
206 1 24 VAL H 1 74 MET HG2 . . 4.940 4.534 3.654 4.862 . 0 0 "[ . 1 . 2]" 2
207 1 24 VAL H 1 24 VAL HB . . 3.540 3.151 2.864 3.384 . 0 0 "[ . 1 . 2]" 2
208 1 24 VAL H 1 24 VAL MG2 . . 4.100 3.930 3.816 3.983 . 0 0 "[ . 1 . 2]" 2
209 1 24 VAL H 1 24 VAL MG1 . . 3.520 2.239 1.873 2.409 . 0 0 "[ . 1 . 2]" 2
210 1 66 PHE HA 1 69 CYS H . . 4.160 3.634 3.483 3.856 . 0 0 "[ . 1 . 2]" 2
211 1 69 CYS H 1 69 CYS HB2 . . 3.300 2.401 2.264 2.554 . 0 0 "[ . 1 . 2]" 2
212 1 69 CYS H 1 69 CYS HG . . 3.180 2.747 2.246 3.169 . 0 0 "[ . 1 . 2]" 2
213 1 69 CYS H 1 69 CYS HB3 . . 3.870 3.575 3.537 3.598 . 0 0 "[ . 1 . 2]" 2
214 1 68 LYS HB3 1 69 CYS H . . 3.550 2.400 2.121 2.573 . 0 0 "[ . 1 . 2]" 2
215 1 68 LYS HB2 1 69 CYS H . . 4.000 3.752 3.525 3.915 . 0 0 "[ . 1 . 2]" 2
216 1 69 CYS H 1 70 LEU HB2 . . 5.470 5.020 4.889 5.218 . 0 0 "[ . 1 . 2]" 2
217 1 69 CYS H 1 72 LEU HB2 . . 5.500 5.162 4.737 5.489 . 0 0 "[ . 1 . 2]" 2
218 1 68 LYS HG2 1 69 CYS H . . 4.810 3.567 2.727 3.958 . 0 0 "[ . 1 . 2]" 2
219 1 68 LYS HG3 1 69 CYS H . . 4.810 4.371 3.796 4.598 . 0 0 "[ . 1 . 2]" 2
220 1 69 CYS H 1 70 LEU HG . . 4.860 4.680 4.498 4.856 . 0 0 "[ . 1 . 2]" 2
221 1 12 VAL MG2 1 69 CYS H . . 4.470 4.212 3.705 4.472 0.002 7 0 "[ . 1 . 2]" 2
222 1 12 VAL MG1 1 69 CYS H . . 4.170 3.930 3.267 4.167 . 0 0 "[ . 1 . 2]" 2
223 1 71 ALA H 1 72 LEU H . . 3.190 2.704 2.490 2.822 . 0 0 "[ . 1 . 2]" 2
224 1 72 LEU H 1 72 LEU HG . . 3.050 2.481 2.319 2.754 . 0 0 "[ . 1 . 2]" 2
225 1 72 LEU H 1 72 LEU HB2 . . 2.960 2.364 2.243 2.437 . 0 0 "[ . 1 . 2]" 2
226 1 71 ALA MB 1 72 LEU H . . 3.080 2.684 2.470 2.882 . 0 0 "[ . 1 . 2]" 2
227 1 72 LEU H 1 72 LEU MD2 . . 3.840 3.619 3.399 3.786 . 0 0 "[ . 1 . 2]" 2
228 1 72 LEU H 1 72 LEU MD1 . . 3.780 3.568 3.326 3.738 . 0 0 "[ . 1 . 2]" 2
229 1 48 GLU HA 1 50 SER H . . 4.350 3.650 3.442 4.077 . 0 0 "[ . 1 . 2]" 2
230 1 50 SER H 1 50 SER HA . . 2.920 2.280 2.274 2.288 . 0 0 "[ . 1 . 2]" 2
231 1 49 ARG H 1 50 SER H . . 3.670 2.887 2.738 3.041 . 0 0 "[ . 1 . 2]" 2
232 1 67 GLN H 1 68 LYS H . . 3.340 2.944 2.826 3.010 . 0 0 "[ . 1 . 2]" 2
233 1 67 GLN H 1 69 CYS H . . 4.650 4.473 4.195 4.654 0.004 9 0 "[ . 1 . 2]" 2
234 1 66 PHE QD 1 67 GLN H . . 4.530 3.641 3.055 4.071 . 0 0 "[ . 1 . 2]" 2
235 1 33 PHE QE 1 67 GLN H . . 5.500 5.037 4.634 5.392 . 0 0 "[ . 1 . 2]" 2
236 1 64 CYS HA 1 67 GLN H . . 3.870 3.577 3.334 3.859 . 0 0 "[ . 1 . 2]" 2
237 1 66 PHE HB3 1 67 GLN H . . 3.600 2.428 2.166 2.653 . 0 0 "[ . 1 . 2]" 2
238 1 67 GLN H 1 67 GLN HB3 . . 3.790 3.560 3.508 3.596 . 0 0 "[ . 1 . 2]" 2
239 1 67 GLN H 1 67 GLN HB2 . . 3.230 2.340 2.208 2.494 . 0 0 "[ . 1 . 2]" 2
240 1 67 GLN H 1 67 GLN HG3 . . 4.040 3.808 3.388 4.029 . 0 0 "[ . 1 . 2]" 2
241 1 36 ARG H 1 37 THR H . . 3.160 2.966 2.821 3.095 . 0 0 "[ . 1 . 2]" 2
242 1 35 ARG H 1 37 THR H . . 4.770 4.446 4.267 4.771 0.001 13 0 "[ . 1 . 2]" 2
243 1 37 THR H 1 37 THR HG1 . . 2.810 2.071 1.903 2.239 . 0 0 "[ . 1 . 2]" 2
244 1 33 PHE HA 1 37 THR H . . 4.590 4.065 3.851 4.492 . 0 0 "[ . 1 . 2]" 2
245 1 34 PHE HA 1 37 THR H . . 3.970 3.781 3.569 3.964 . 0 0 "[ . 1 . 2]" 2
246 1 37 THR H 1 37 THR HB . . 3.050 2.628 2.523 2.775 . 0 0 "[ . 1 . 2]" 2
247 1 36 ARG HB2 1 37 THR H . . 3.970 3.844 3.708 3.976 0.006 18 0 "[ . 1 . 2]" 2
248 1 36 ARG HB3 1 37 THR H . . 3.970 2.449 2.229 2.651 . 0 0 "[ . 1 . 2]" 2
249 1 36 ARG HG2 1 37 THR H . . 4.370 3.352 2.785 3.591 . 0 0 "[ . 1 . 2]" 2
250 1 36 ARG HG3 1 37 THR H . . 4.370 4.208 3.892 4.370 0.000 15 0 "[ . 1 . 2]" 2
251 1 37 THR H 1 42 LEU MD1 . . 4.430 4.088 3.491 4.392 . 0 0 "[ . 1 . 2]" 2
252 1 37 THR H 1 37 THR MG . . 3.880 3.763 3.753 3.769 . 0 0 "[ . 1 . 2]" 2
253 1 22 TYR QD 1 75 SER H . . 4.790 3.404 2.387 4.162 . 0 0 "[ . 1 . 2]" 2
254 1 74 MET HA 1 75 SER H . . 2.890 2.209 2.141 2.558 . 0 0 "[ . 1 . 2]" 2
255 1 75 SER H 1 75 SER HB2 . . 3.840 2.818 2.266 3.764 . 0 0 "[ . 1 . 2]" 2
256 1 75 SER H 1 75 SER HB3 . . 3.840 3.070 2.426 3.814 . 0 0 "[ . 1 . 2]" 2
257 1 22 TYR HB3 1 75 SER H . . 3.670 2.366 1.956 2.706 . 0 0 "[ . 1 . 2]" 2
258 1 22 TYR HB2 1 75 SER H . . 4.040 3.899 3.217 4.045 0.005 5 0 "[ . 1 . 2]" 2
259 1 74 MET HG2 1 75 SER H . . 4.600 4.068 3.383 4.601 0.001 16 0 "[ . 1 . 2]" 2
260 1 75 SER H 1 78 ALA MB . . 4.820 4.380 3.764 4.818 . 0 0 "[ . 1 . 2]" 2
261 1 74 MET HB2 1 75 SER H . . 4.700 4.330 3.580 4.558 . 0 0 "[ . 1 . 2]" 2
262 1 74 MET HB3 1 75 SER H . . 3.910 3.393 2.123 3.867 . 0 0 "[ . 1 . 2]" 2
263 1 39 ARG H 1 40 MET H . . 3.210 2.778 2.647 2.934 . 0 0 "[ . 1 . 2]" 2
264 1 40 MET H 1 42 LEU H . . 4.270 4.040 3.712 4.234 . 0 0 "[ . 1 . 2]" 2
265 1 38 ILE H 1 40 MET H . . 4.400 3.698 3.396 3.948 . 0 0 "[ . 1 . 2]" 2
266 1 36 ARG HA 1 40 MET H . . 4.040 3.787 3.407 4.040 0.000 19 0 "[ . 1 . 2]" 2
267 1 40 MET H 1 41 LYS HA . . 4.590 4.457 4.344 4.605 0.015 13 0 "[ . 1 . 2]" 2
268 1 38 ILE HA 1 40 MET H . . 4.770 4.145 3.928 4.491 . 0 0 "[ . 1 . 2]" 2
269 1 37 THR HA 1 40 MET H . . 4.540 3.951 3.788 4.247 . 0 0 "[ . 1 . 2]" 2
270 1 40 MET H 1 40 MET HG2 . . 3.620 3.438 2.853 3.597 . 0 0 "[ . 1 . 2]" 2
271 1 40 MET H 1 40 MET HG3 . . 3.620 2.751 2.527 3.630 0.010 18 0 "[ . 1 . 2]" 2
272 1 40 MET H 1 40 MET HB3 . . 3.790 3.646 3.618 3.687 . 0 0 "[ . 1 . 2]" 2
273 1 40 MET H 1 40 MET HB2 . . 3.090 2.465 2.400 2.531 . 0 0 "[ . 1 . 2]" 2
274 1 39 ARG HB2 1 40 MET H . . 4.130 3.886 3.545 4.074 . 0 0 "[ . 1 . 2]" 2
275 1 40 MET H 1 42 LEU HG . . 4.260 4.174 3.970 4.261 0.001 15 0 "[ . 1 . 2]" 2
276 1 40 MET H 1 42 LEU MD1 . . 4.880 4.472 3.904 4.686 . 0 0 "[ . 1 . 2]" 2
277 1 40 MET H 1 42 LEU MD2 . . 5.380 5.204 4.983 5.391 0.011 2 0 "[ . 1 . 2]" 2
278 1 29 GLY H 1 30 CYS H . . 3.600 3.119 2.559 3.272 . 0 0 "[ . 1 . 2]" 2
279 1 28 GLU H 1 29 GLY H . . 3.640 2.838 2.655 3.030 . 0 0 "[ . 1 . 2]" 2
280 1 27 CYS HA 1 29 GLY H . . 4.790 4.614 4.024 4.785 . 0 0 "[ . 1 . 2]" 2
281 1 27 CYS QB 1 29 GLY H . . 4.080 3.281 2.855 3.494 . 0 0 "[ . 1 . 2]" 2
282 1 28 GLU QB 1 29 GLY H . . 3.710 2.702 2.304 3.620 . 0 0 "[ . 1 . 2]" 2
283 1 14 GLY H 1 15 ASP H . . 3.620 2.629 2.467 2.827 . 0 0 "[ . 1 . 2]" 2
284 1 13 CYS H 1 14 GLY H . . 3.110 2.205 2.036 2.433 . 0 0 "[ . 1 . 2]" 2
285 1 10 CYS HB3 1 14 GLY H . . 3.440 1.908 1.859 2.029 . 0 0 "[ . 1 . 2]" 2
286 1 12 VAL HB 1 14 GLY H . . 4.820 4.354 3.992 4.620 . 0 0 "[ . 1 . 2]" 2
287 1 10 CYS HB2 1 14 GLY H . . 4.130 3.620 3.521 3.771 . 0 0 "[ . 1 . 2]" 2
288 1 9 GLU QG 1 14 GLY H . . 5.500 5.331 4.832 5.641 0.141 14 0 "[ . 1 . 2]" 2
289 1 9 GLU QB 1 14 GLY H . . 5.500 5.032 4.489 5.479 . 0 0 "[ . 1 . 2]" 2
290 1 14 GLY H 1 55 LYS QB . . 5.500 4.655 3.860 5.501 0.001 8 0 "[ . 1 . 2]" 2
291 1 10 CYS H 1 14 GLY H . . 4.350 4.011 3.485 4.362 0.012 9 0 "[ . 1 . 2]" 2
292 1 18 SER H 1 19 GLY H . . 3.900 2.584 1.908 3.152 . 0 0 "[ . 1 . 2]" 2
293 1 17 ALA MB 1 19 GLY H . . 3.740 3.419 2.855 3.728 . 0 0 "[ . 1 . 2]" 2
294 1 11 ARG H 1 26 ALA HA . . 3.900 2.871 2.413 3.493 . 0 0 "[ . 1 . 2]" 2
295 1 10 CYS HA 1 11 ARG H . . 2.950 2.209 2.139 2.308 . 0 0 "[ . 1 . 2]" 2
296 1 11 ARG H 1 11 ARG HD2 . . 5.140 4.706 4.044 5.146 0.006 10 0 "[ . 1 . 2]" 2
297 1 11 ARG H 1 25 HIS HB2 . . 4.600 4.212 3.610 4.562 . 0 0 "[ . 1 . 2]" 2
298 1 10 CYS HB2 1 11 ARG H . . 4.810 4.131 3.896 4.364 . 0 0 "[ . 1 . 2]" 2
299 1 11 ARG H 1 11 ARG HG2 . . 4.020 2.487 1.957 2.902 . 0 0 "[ . 1 . 2]" 2
300 1 11 ARG H 1 11 ARG HG3 . . 4.020 3.527 2.497 3.938 . 0 0 "[ . 1 . 2]" 2
301 1 11 ARG H 1 11 ARG HB2 . . 3.360 2.514 2.347 2.630 . 0 0 "[ . 1 . 2]" 2
302 1 11 ARG H 1 26 ALA MB . . 4.740 3.956 3.591 4.509 . 0 0 "[ . 1 . 2]" 2
303 1 11 ARG H 1 72 LEU MD1 . . 4.880 4.052 3.834 4.270 . 0 0 "[ . 1 . 2]" 2
304 1 27 CYS H 1 30 CYS H . . 4.620 4.021 3.407 4.296 . 0 0 "[ . 1 . 2]" 2
305 1 30 CYS H 1 30 CYS HB2 . . 3.480 2.527 2.318 2.646 . 0 0 "[ . 1 . 2]" 2
306 1 31 LYS HB3 1 32 GLY H . . 4.060 2.329 1.998 2.821 . 0 0 "[ . 1 . 2]" 2
307 1 31 LYS HB2 1 32 GLY H . . 4.060 3.653 2.546 4.033 . 0 0 "[ . 1 . 2]" 2
308 1 31 LYS QG 1 32 GLY H . . 4.600 3.340 2.419 4.209 . 0 0 "[ . 1 . 2]" 2
309 1 70 LEU HA 1 73 GLY H . . 3.800 3.522 3.328 3.744 . 0 0 "[ . 1 . 2]" 2
310 1 72 LEU HG 1 73 GLY H . . 4.890 4.628 4.546 4.780 . 0 0 "[ . 1 . 2]" 2
311 1 72 LEU HB2 1 73 GLY H . . 4.160 2.965 2.885 3.211 . 0 0 "[ . 1 . 2]" 2
312 1 71 ALA MB 1 73 GLY H . . 4.890 4.353 4.303 4.426 . 0 0 "[ . 1 . 2]" 2
313 1 70 LEU MD2 1 73 GLY H . . 5.350 5.151 4.943 5.288 . 0 0 "[ . 1 . 2]" 2
314 1 19 GLY H 1 26 ALA H . . 4.510 4.290 3.999 4.502 . 0 0 "[ . 1 . 2]" 2
315 1 21 HIS HD2 1 26 ALA H . . 4.310 3.609 2.309 4.108 . 0 0 "[ . 1 . 2]" 2
316 1 20 PHE HA 1 26 ALA H . . 4.360 3.465 2.935 4.356 . 0 0 "[ . 1 . 2]" 2
317 1 25 HIS HB3 1 26 ALA H . . 4.350 3.980 3.857 4.089 . 0 0 "[ . 1 . 2]" 2
318 1 17 ALA MB 1 26 ALA H . . 4.000 3.752 3.406 4.002 0.002 5 0 "[ . 1 . 2]" 2
319 1 10 CYS H 1 17 ALA H . . 3.970 3.190 2.131 3.959 . 0 0 "[ . 1 . 2]" 2
320 1 16 LYS H 1 17 ALA H . . 4.750 4.556 4.397 4.643 . 0 0 "[ . 1 . 2]" 2
321 1 9 GLU HA 1 17 ALA H . . 3.270 2.225 1.898 2.986 . 0 0 "[ . 1 . 2]" 2
322 1 16 LYS HA 1 17 ALA H . . 2.680 2.184 2.141 2.309 . 0 0 "[ . 1 . 2]" 2
323 1 9 GLU QG 1 17 ALA H . . 5.070 4.483 3.483 5.071 0.001 4 0 "[ . 1 . 2]" 2
324 1 8 MET QB 1 17 ALA H . . 4.060 3.482 2.433 4.061 0.001 16 0 "[ . 1 . 2]" 2
325 1 16 LYS HG2 1 17 ALA H . . 4.760 3.491 2.296 4.694 . 0 0 "[ . 1 . 2]" 2
326 1 17 ALA H 1 17 ALA MB . . 2.990 2.197 2.107 2.441 . 0 0 "[ . 1 . 2]" 2
327 1 33 PHE QD 1 34 PHE H . . 3.990 2.556 2.097 3.035 . 0 0 "[ . 1 . 2]" 2
328 1 34 PHE H 1 34 PHE QD . . 4.540 4.159 4.067 4.188 . 0 0 "[ . 1 . 2]" 2
329 1 30 CYS HA 1 34 PHE H . . 4.600 4.072 3.794 4.282 . 0 0 "[ . 1 . 2]" 2
330 1 31 LYS HA 1 34 PHE H . . 4.340 3.994 3.625 4.343 0.003 9 0 "[ . 1 . 2]" 2
331 1 34 PHE H 1 34 PHE HB2 . . 3.370 2.472 2.319 2.606 . 0 0 "[ . 1 . 2]" 2
332 1 33 PHE HB2 1 34 PHE H . . 4.120 3.733 3.618 3.912 . 0 0 "[ . 1 . 2]" 2
333 1 34 PHE H 1 34 PHE HB3 . . 3.340 2.613 2.461 2.764 . 0 0 "[ . 1 . 2]" 2
334 1 68 LYS HA 1 71 ALA H . . 3.760 3.558 3.238 3.740 . 0 0 "[ . 1 . 2]" 2
335 1 67 GLN HA 1 71 ALA H . . 4.660 4.291 3.980 4.565 . 0 0 "[ . 1 . 2]" 2
336 1 70 LEU HB2 1 71 ALA H . . 3.470 2.459 2.207 2.718 . 0 0 "[ . 1 . 2]" 2
337 1 70 LEU HB3 1 71 ALA H . . 4.040 3.507 3.319 3.710 . 0 0 "[ . 1 . 2]" 2
338 1 70 LEU MD1 1 71 ALA H . . 4.670 4.262 3.977 4.588 . 0 0 "[ . 1 . 2]" 2
339 1 71 ALA H 1 72 LEU HG . . 4.770 4.661 4.439 4.769 . 0 0 "[ . 1 . 2]" 2
340 1 20 PHE QD 1 25 HIS H . . 4.850 3.546 3.026 4.819 . 0 0 "[ . 1 . 2]" 2
341 1 24 VAL HA 1 25 HIS H . . 3.130 2.179 2.144 2.245 . 0 0 "[ . 1 . 2]" 2
342 1 25 HIS H 1 25 HIS HB2 . . 3.520 2.241 2.187 2.317 . 0 0 "[ . 1 . 2]" 2
343 1 25 HIS H 1 25 HIS HB3 . . 4.060 3.528 3.494 3.568 . 0 0 "[ . 1 . 2]" 2
344 1 11 ARG HG2 1 25 HIS H . . 4.750 4.039 3.416 4.582 . 0 0 "[ . 1 . 2]" 2
345 1 11 ARG HG3 1 25 HIS H . . 4.750 3.244 2.466 3.836 . 0 0 "[ . 1 . 2]" 2
346 1 24 VAL HB 1 25 HIS H . . 4.270 4.176 3.998 4.336 0.066 19 0 "[ . 1 . 2]" 2
347 1 24 VAL MG2 1 25 HIS H . . 3.940 2.282 1.884 2.682 . 0 0 "[ . 1 . 2]" 2
348 1 44 TYR H 1 44 TYR HB3 . . 4.020 3.851 3.731 3.954 . 0 0 "[ . 1 . 2]" 2
349 1 44 TYR H 1 44 TYR HB2 . . 3.580 2.785 2.566 2.970 . 0 0 "[ . 1 . 2]" 2
350 1 43 GLU HB2 1 44 TYR H . . 4.400 3.557 2.386 4.340 . 0 0 "[ . 1 . 2]" 2
351 1 44 TYR H 1 63 TYR QD . . 4.300 3.824 3.237 4.239 . 0 0 "[ . 1 . 2]" 2
352 1 44 TYR H 1 44 TYR QD . . 3.830 3.560 3.165 3.830 . 0 0 "[ . 1 . 2]" 2
353 1 43 GLU HA 1 44 TYR H . . 2.700 2.330 2.171 2.468 . 0 0 "[ . 1 . 2]" 2
354 1 45 GLU QG 1 46 LYS H . . 3.890 2.894 1.948 3.870 . 0 0 "[ . 1 . 2]" 2
355 1 43 GLU HG2 1 44 TYR H . . 4.570 3.259 2.189 4.483 . 0 0 "[ . 1 . 2]" 2
356 1 43 GLU HG3 1 44 TYR H . . 4.570 3.511 2.072 4.560 . 0 0 "[ . 1 . 2]" 2
357 1 43 GLU HB3 1 44 TYR H . . 4.400 3.555 2.347 4.117 . 0 0 "[ . 1 . 2]" 2
358 1 46 LYS H 1 46 LYS HB2 . . 3.310 2.455 2.225 2.722 . 0 0 "[ . 1 . 2]" 2
359 1 46 LYS H 1 46 LYS HB3 . . 3.310 2.616 2.387 2.866 . 0 0 "[ . 1 . 2]" 2
360 1 46 LYS H 1 46 LYS QG . . 4.270 3.947 3.845 4.008 . 0 0 "[ . 1 . 2]" 2
361 1 51 CYS H 1 52 LYS H . . 4.830 4.624 4.553 4.648 . 0 0 "[ . 1 . 2]" 2
362 1 50 SER HA 1 51 CYS H . . 3.230 2.732 2.670 2.831 . 0 0 "[ . 1 . 2]" 2
363 1 51 CYS H 1 64 CYS HB3 . . 4.260 4.140 3.966 4.262 0.002 17 0 "[ . 1 . 2]" 2
364 1 51 CYS H 1 51 CYS HB2 . . 3.950 2.872 2.807 2.931 . 0 0 "[ . 1 . 2]" 2
365 1 51 CYS H 1 64 CYS HB2 . . 4.440 4.242 4.074 4.434 . 0 0 "[ . 1 . 2]" 2
366 1 51 CYS H 1 51 CYS HB3 . . 3.720 3.567 3.551 3.600 . 0 0 "[ . 1 . 2]" 2
367 1 49 ARG HB2 1 51 CYS H . . 4.720 3.326 3.062 3.570 . 0 0 "[ . 1 . 2]" 2
368 1 49 ARG HB3 1 51 CYS H . . 4.950 3.459 3.040 3.789 . 0 0 "[ . 1 . 2]" 2
369 1 79 ILE MG 1 80 ARG H . . 4.700 3.081 2.469 3.572 . 0 0 "[ . 1 . 2]" 2
370 1 33 PHE H 1 34 PHE H . . 3.540 2.999 2.699 3.213 . 0 0 "[ . 1 . 2]" 2
371 1 33 PHE H 1 33 PHE QD . . 4.410 4.159 3.965 4.205 . 0 0 "[ . 1 . 2]" 2
372 1 30 CYS HA 1 33 PHE H . . 3.900 3.444 3.275 3.731 . 0 0 "[ . 1 . 2]" 2
373 1 33 PHE H 1 33 PHE HB2 . . 3.310 2.647 2.526 2.909 . 0 0 "[ . 1 . 2]" 2
374 1 33 PHE H 1 33 PHE HB3 . . 3.230 2.439 2.214 2.564 . 0 0 "[ . 1 . 2]" 2
375 1 10 CYS H 1 16 LYS HA . . 4.210 3.486 3.092 4.102 . 0 0 "[ . 1 . 2]" 2
376 1 10 CYS H 1 17 ALA HA . . 4.850 3.469 2.835 4.065 . 0 0 "[ . 1 . 2]" 2
377 1 10 CYS H 1 27 CYS QB . . 4.900 3.932 3.669 4.231 . 0 0 "[ . 1 . 2]" 2
378 1 10 CYS H 1 10 CYS HB2 . . 3.530 2.505 2.339 2.732 . 0 0 "[ . 1 . 2]" 2
379 1 9 GLU QB 1 10 CYS H . . 3.850 2.930 2.314 3.368 . 0 0 "[ . 1 . 2]" 2
380 1 44 TYR H 1 45 GLU H . . 4.830 4.421 4.339 4.513 . 0 0 "[ . 1 . 2]" 2
381 1 45 GLU H 1 46 LYS H . . 5.230 4.556 4.440 4.640 . 0 0 "[ . 1 . 2]" 2
382 1 44 TYR QD 1 45 GLU H . . 4.130 3.809 3.339 4.109 . 0 0 "[ . 1 . 2]" 2
383 1 44 TYR HA 1 45 GLU H . . 3.010 2.426 2.176 2.578 . 0 0 "[ . 1 . 2]" 2
384 1 44 TYR HB3 1 45 GLU H . . 3.570 2.438 2.088 3.134 . 0 0 "[ . 1 . 2]" 2
385 1 44 TYR HB2 1 45 GLU H . . 4.320 3.520 3.020 4.052 . 0 0 "[ . 1 . 2]" 2
386 1 45 GLU H 1 45 GLU HB2 . . 3.680 2.759 2.216 3.679 . 0 0 "[ . 1 . 2]" 2
387 1 10 CYS H 1 10 CYS HB3 . . 3.420 2.584 2.374 2.809 . 0 0 "[ . 1 . 2]" 2
388 1 9 GLU QG 1 10 CYS H . . 4.370 3.583 3.130 3.978 . 0 0 "[ . 1 . 2]" 2
389 1 12 VAL H 1 13 CYS H . . 3.110 2.487 1.884 3.046 . 0 0 "[ . 1 . 2]" 2
390 1 15 ASP HB3 1 16 LYS H . . 3.890 3.596 2.974 3.883 . 0 0 "[ . 1 . 2]" 2
391 1 15 ASP HB2 1 16 LYS H . . 4.060 3.915 3.702 4.064 0.004 18 0 "[ . 1 . 2]" 2
392 1 31 LYS H 1 32 GLY H . . 3.570 3.105 2.758 3.244 . 0 0 "[ . 1 . 2]" 2
393 1 32 GLY H 1 33 PHE H . . 3.390 2.872 2.631 3.103 . 0 0 "[ . 1 . 2]" 2
394 1 37 THR H 1 38 ILE H . . 3.190 2.717 2.564 2.866 . 0 0 "[ . 1 . 2]" 2
395 1 41 LYS H 1 42 LEU H . . 3.280 2.839 2.670 3.066 . 0 0 "[ . 1 . 2]" 2
396 1 46 LYS QG 1 47 CYS H . . 4.020 2.896 2.309 3.310 . 0 0 "[ . 1 . 2]" 2
397 1 46 LYS HB3 1 47 CYS H . . 4.700 4.206 3.816 4.458 . 0 0 "[ . 1 . 2]" 2
398 1 46 LYS HB2 1 47 CYS H . . 4.700 4.308 3.819 4.519 . 0 0 "[ . 1 . 2]" 2
399 1 47 CYS H 1 63 TYR QE . . 4.240 2.942 2.647 3.254 . 0 0 "[ . 1 . 2]" 2
400 1 47 CYS H 1 63 TYR QD . . 3.870 2.650 1.903 3.096 . 0 0 "[ . 1 . 2]" 2
401 1 50 SER H 1 51 CYS H . . 3.820 2.785 2.526 2.955 . 0 0 "[ . 1 . 2]" 2
402 1 66 PHE H 1 67 GLN H . . 3.520 2.735 2.577 2.909 . 0 0 "[ . 1 . 2]" 2
403 1 68 LYS H 1 69 CYS H . . 3.290 2.967 2.815 3.099 . 0 0 "[ . 1 . 2]" 2
404 1 69 CYS H 1 70 LEU H . . 3.320 2.915 2.755 3.079 . 0 0 "[ . 1 . 2]" 2
405 1 69 CYS HA 1 72 LEU H . . 4.190 3.522 3.121 3.732 . 0 0 "[ . 1 . 2]" 2
406 1 72 LEU H 1 73 GLY H . . 3.050 2.628 2.504 2.693 . 0 0 "[ . 1 . 2]" 2
407 1 74 MET H 1 75 SER H . . 4.490 4.448 4.266 4.605 0.115 15 0 "[ . 1 . 2]" 2
408 1 48 GLU H 1 49 ARG H . . 4.450 2.614 2.278 2.867 . 0 0 "[ . 1 . 2]" 2
409 1 49 ARG HB3 1 50 SER H . . 4.470 3.691 3.208 3.923 . 0 0 "[ . 1 . 2]" 2
410 1 49 ARG HB2 1 50 SER H . . 4.450 2.962 2.627 3.184 . 0 0 "[ . 1 . 2]" 2
411 1 32 GLY HA3 1 35 ARG HB3 . . 4.860 4.667 4.297 4.854 . 0 0 "[ . 1 . 2]" 2
412 1 29 GLY QA 1 31 LYS H . . 4.920 4.217 3.490 4.612 . 0 0 "[ . 1 . 2]" 2
413 1 29 GLY QA 1 33 PHE H . . 5.320 4.486 4.200 4.747 . 0 0 "[ . 1 . 2]" 2
414 1 32 GLY HA2 1 35 ARG HB3 . . 4.170 3.078 2.762 3.398 . 0 0 "[ . 1 . 2]" 2
415 1 10 CYS H 1 14 GLY HA2 . . 4.640 3.928 2.938 4.533 . 0 0 "[ . 1 . 2]" 2
416 1 10 CYS HB3 1 14 GLY HA2 . . 4.880 3.402 2.983 3.794 . 0 0 "[ . 1 . 2]" 2
417 1 9 GLU QB 1 14 GLY HA2 . . 4.050 3.408 2.589 3.972 . 0 0 "[ . 1 . 2]" 2
418 1 9 GLU QB 1 14 GLY HA3 . . 5.500 4.466 3.709 4.853 . 0 0 "[ . 1 . 2]" 2
419 1 14 GLY HA3 1 55 LYS QB . . 5.500 3.127 2.044 4.130 . 0 0 "[ . 1 . 2]" 2
420 1 9 GLU QG 1 14 GLY HA2 . . 4.280 3.664 3.210 4.327 0.047 10 0 "[ . 1 . 2]" 2
421 1 23 GLY HA2 1 24 VAL MG1 . . 5.030 4.898 4.629 5.052 0.022 4 0 "[ . 1 . 2]" 2
422 1 20 PHE QE 1 23 GLY HA2 . . 4.620 2.513 2.161 3.000 . 0 0 "[ . 1 . 2]" 2
423 1 20 PHE HZ 1 23 GLY HA2 . . 5.230 3.062 2.169 3.626 . 0 0 "[ . 1 . 2]" 2
424 1 23 GLY HA3 1 74 MET HA . . 5.500 5.253 4.564 5.496 . 0 0 "[ . 1 . 2]" 2
425 1 20 PHE QE 1 23 GLY HA3 . . 4.520 3.824 3.535 4.254 . 0 0 "[ . 1 . 2]" 2
426 1 20 PHE HZ 1 23 GLY HA3 . . 4.860 3.962 3.448 4.405 . 0 0 "[ . 1 . 2]" 2
427 1 84 GLY QA 1 85 PRO HD2 . . 3.370 2.071 1.905 2.569 . 0 0 "[ . 1 . 2]" 2
428 1 22 TYR QE 1 79 ILE MD . . 4.450 2.320 1.849 3.382 . 0 0 "[ . 1 . 2]" 2
429 1 34 PHE QD 1 79 ILE MD . . 4.160 3.436 2.651 4.142 . 0 0 "[ . 1 . 2]" 2
430 1 34 PHE QE 1 79 ILE MD . . 4.060 2.978 1.954 4.061 0.001 18 0 "[ . 1 . 2]" 2
431 1 79 ILE HA 1 79 ILE MD . . 4.130 3.065 1.936 3.894 . 0 0 "[ . 1 . 2]" 2
432 1 35 ARG HA 1 79 ILE MD . . 3.820 2.650 1.975 3.608 . 0 0 "[ . 1 . 2]" 2
433 1 79 ILE HB 1 79 ILE MD . . 3.690 2.638 2.086 3.229 . 0 0 "[ . 1 . 2]" 2
434 1 79 ILE H 1 79 ILE MD . . 4.930 2.970 1.822 3.965 . 0 0 "[ . 1 . 2]" 2
435 1 22 TYR QE 1 35 ARG QD . . 4.860 4.442 3.090 4.805 . 0 0 "[ . 1 . 2]" 2
436 1 35 ARG HA 1 35 ARG QD . . 4.300 3.774 2.092 4.192 . 0 0 "[ . 1 . 2]" 2
437 1 35 ARG HB2 1 35 ARG QD . . 3.730 2.429 2.114 3.296 . 0 0 "[ . 1 . 2]" 2
438 1 35 ARG HB3 1 35 ARG QD . . 3.850 2.599 2.172 3.293 . 0 0 "[ . 1 . 2]" 2
439 1 49 ARG HB2 1 49 ARG HD2 . . 4.000 3.288 2.601 4.049 0.049 20 0 "[ . 1 . 2]" 2
440 1 49 ARG HB2 1 49 ARG HD3 . . 4.000 3.081 2.252 4.179 0.179 13 0 "[ . 1 . 2]" 2
441 1 33 PHE HA 1 36 ARG QD . . 4.810 3.941 3.474 4.569 . 0 0 "[ . 1 . 2]" 2
442 1 36 ARG HA 1 36 ARG QD . . 4.530 3.866 3.652 4.268 . 0 0 "[ . 1 . 2]" 2
443 1 36 ARG HB2 1 36 ARG QD . . 3.560 2.318 2.092 2.797 . 0 0 "[ . 1 . 2]" 2
444 1 36 ARG HB3 1 36 ARG QD . . 3.560 2.731 2.449 3.083 . 0 0 "[ . 1 . 2]" 2
445 1 36 ARG QD 1 42 LEU MD1 . . 4.310 3.743 2.705 4.234 . 0 0 "[ . 1 . 2]" 2
446 1 80 ARG HA 1 80 ARG QD . . 4.370 3.363 2.023 4.403 0.033 3 0 "[ . 1 . 2]" 2
447 1 24 VAL MG1 1 72 LEU HB2 . . 4.600 3.640 2.983 3.866 . 0 0 "[ . 1 . 2]" 2
448 1 69 CYS HA 1 72 LEU HB3 . . 4.960 4.300 3.922 4.681 . 0 0 "[ . 1 . 2]" 2
449 1 72 LEU HB3 1 73 GLY H . . 5.070 3.788 3.666 3.996 . 0 0 "[ . 1 . 2]" 2
450 1 72 LEU H 1 72 LEU HB3 . . 4.030 3.566 3.529 3.579 . 0 0 "[ . 1 . 2]" 2
451 1 72 LEU HB3 1 74 MET HG3 . . 4.990 3.845 3.260 4.971 . 0 0 "[ . 1 . 2]" 2
452 1 68 LYS HE2 1 68 LYS HG2 . . 4.010 3.219 2.561 4.057 0.047 8 0 "[ . 1 . 2]" 2
453 1 68 LYS HE2 1 68 LYS HG3 . . 4.010 3.361 2.887 3.806 . 0 0 "[ . 1 . 2]" 2
454 1 68 LYS HE2 1 72 LEU MD2 . . 5.500 4.179 3.322 5.079 . 0 0 "[ . 1 . 2]" 2
455 1 68 LYS HE2 1 72 LEU MD1 . . 4.440 3.837 2.913 4.409 . 0 0 "[ . 1 . 2]" 2
456 1 12 VAL HA 1 68 LYS HE3 . . 4.170 3.323 2.037 4.110 . 0 0 "[ . 1 . 2]" 2
457 1 68 LYS HE3 1 68 LYS HG2 . . 4.010 2.872 2.305 3.385 . 0 0 "[ . 1 . 2]" 2
458 1 68 LYS HE3 1 68 LYS HG3 . . 4.010 2.430 2.066 2.875 . 0 0 "[ . 1 . 2]" 2
459 1 68 LYS HE3 1 72 LEU MD1 . . 4.440 3.595 2.765 4.386 . 0 0 "[ . 1 . 2]" 2
460 1 11 ARG HB3 1 11 ARG HD2 . . 4.030 2.656 2.112 3.534 . 0 0 "[ . 1 . 2]" 2
461 1 11 ARG H 1 11 ARG HD3 . . 5.140 4.517 3.833 5.131 . 0 0 "[ . 1 . 2]" 2
462 1 11 ARG HB3 1 11 ARG HD3 . . 4.030 2.911 2.089 3.653 . 0 0 "[ . 1 . 2]" 2
463 1 15 ASP H 1 15 ASP HB3 . . 3.570 2.724 2.420 2.974 . 0 0 "[ . 1 . 2]" 2
464 1 15 ASP HB3 1 55 LYS QB . . 5.230 4.721 4.254 5.202 . 0 0 "[ . 1 . 2]" 2
465 1 10 CYS HB3 1 15 ASP HB3 . . 4.850 3.868 3.623 4.152 . 0 0 "[ . 1 . 2]" 2
466 1 55 LYS QE 1 55 LYS QG . . 3.460 2.261 2.053 2.612 . 0 0 "[ . 1 . 2]" 2
467 1 55 LYS QB 1 55 LYS QE . . 4.180 2.781 2.018 3.666 . 0 0 "[ . 1 . 2]" 2
468 1 56 LYS QB 1 56 LYS QE . . 4.170 3.039 2.004 3.813 . 0 0 "[ . 1 . 2]" 2
469 1 37 THR HA 1 42 LEU HB3 . . 4.650 4.384 3.849 4.650 0.000 3 0 "[ . 1 . 2]" 2
470 1 38 ILE MD 1 66 PHE QE . . 3.640 2.224 1.972 2.537 . 0 0 "[ . 1 . 2]" 2
471 1 38 ILE MD 1 66 PHE HZ . . 3.380 2.256 1.942 2.482 . 0 0 "[ . 1 . 2]" 2
472 1 38 ILE MD 1 76 HIS HD2 . . 5.020 4.054 2.096 4.822 . 0 0 "[ . 1 . 2]" 2
473 1 34 PHE HZ 1 38 ILE MD . . 3.920 3.315 2.655 3.635 . 0 0 "[ . 1 . 2]" 2
474 1 34 PHE QE 1 38 ILE MD . . 3.920 3.201 2.540 3.652 . 0 0 "[ . 1 . 2]" 2
475 1 38 ILE MD 1 76 HIS HA . . 4.380 3.748 3.287 4.258 . 0 0 "[ . 1 . 2]" 2
476 1 38 ILE HA 1 38 ILE MD . . 3.150 2.024 1.957 2.137 . 0 0 "[ . 1 . 2]" 2
477 1 38 ILE MD 1 76 HIS HB2 . . 4.230 2.943 2.168 4.229 . 0 0 "[ . 1 . 2]" 2
478 1 38 ILE MD 1 76 HIS HB3 . . 4.230 2.903 2.037 4.073 . 0 0 "[ . 1 . 2]" 2
479 1 38 ILE HB 1 38 ILE MD . . 3.700 3.222 3.212 3.230 . 0 0 "[ . 1 . 2]" 2
480 1 37 THR MG 1 38 ILE MD . . 4.320 3.288 2.808 3.665 . 0 0 "[ . 1 . 2]" 2
481 1 28 GLU HA 1 31 LYS HE3 . . 5.500 4.421 2.471 5.502 0.002 16 0 "[ . 1 . 2]" 2
482 1 22 TYR QE 1 31 LYS HE2 . . 5.220 4.288 2.140 5.184 . 0 0 "[ . 1 . 2]" 2
483 1 28 GLU HA 1 31 LYS HE2 . . 5.500 4.779 2.735 5.472 . 0 0 "[ . 1 . 2]" 2
484 1 22 TYR QE 1 31 LYS HE3 . . 5.220 4.628 3.815 5.215 . 0 0 "[ . 1 . 2]" 2
485 1 67 GLN HA 1 70 LEU HB3 . . 4.680 4.605 4.413 4.681 0.001 7 0 "[ . 1 . 2]" 2
486 1 51 CYS HB2 1 53 ILE MD . . 4.300 3.562 2.999 4.105 . 0 0 "[ . 1 . 2]" 2
487 1 53 ILE H 1 53 ILE MD . . 4.920 3.290 3.111 3.888 . 0 0 "[ . 1 . 2]" 2
488 1 53 ILE MD 1 54 GLN H . . 5.500 3.938 3.704 4.986 . 0 0 "[ . 1 . 2]" 2
489 1 53 ILE MD 1 65 ARG H . . 4.660 2.717 2.331 3.007 . 0 0 "[ . 1 . 2]" 2
490 1 53 ILE MD 1 61 CYS H . . 4.820 3.210 2.724 4.280 . 0 0 "[ . 1 . 2]" 2
491 1 53 ILE HA 1 53 ILE MD . . 3.440 2.148 1.934 3.514 0.074 12 0 "[ . 1 . 2]" 2
492 1 53 ILE MD 1 65 ARG HA . . 3.650 2.205 1.942 2.543 . 0 0 "[ . 1 . 2]" 2
493 1 53 ILE MD 1 64 CYS HB3 . . 3.820 3.011 2.478 3.537 . 0 0 "[ . 1 . 2]" 2
494 1 53 ILE MD 1 68 LYS QD . . 4.300 4.024 3.756 4.300 . 0 0 "[ . 1 . 2]" 2
495 1 53 ILE MD 1 65 ARG QB . . 3.700 2.245 1.964 2.652 . 0 0 "[ . 1 . 2]" 2
496 1 33 PHE QD 1 34 PHE HB2 . . 4.900 3.264 2.798 3.657 . 0 0 "[ . 1 . 2]" 2
497 1 44 TYR HB3 1 63 TYR HA . . 4.290 3.391 2.611 4.275 . 0 0 "[ . 1 . 2]" 2
498 1 44 TYR HB2 1 63 TYR QD . . 4.220 2.179 1.999 2.704 . 0 0 "[ . 1 . 2]" 2
499 1 33 PHE HB3 1 34 PHE H . . 4.240 2.272 2.101 2.538 . 0 0 "[ . 1 . 2]" 2
500 1 47 CYS H 1 63 TYR HB3 . . 5.010 3.571 3.202 4.295 . 0 0 "[ . 1 . 2]" 2
501 1 47 CYS HB2 1 63 TYR HB3 . . 4.370 2.579 2.267 2.873 . 0 0 "[ . 1 . 2]" 2
502 1 38 ILE MG 1 79 ILE HB . . 4.700 3.572 2.625 4.664 . 0 0 "[ . 1 . 2]" 2
503 1 66 PHE HB2 1 67 GLN H . . 4.520 3.747 3.623 3.879 . 0 0 "[ . 1 . 2]" 2
504 1 44 TYR QD 1 66 PHE HB2 . . 4.660 3.409 2.789 4.141 . 0 0 "[ . 1 . 2]" 2
505 1 33 PHE HZ 1 66 PHE HB2 . . 4.500 2.750 1.998 3.134 . 0 0 "[ . 1 . 2]" 2
506 1 33 PHE QE 1 66 PHE HB2 . . 4.580 2.722 2.080 3.444 . 0 0 "[ . 1 . 2]" 2
507 1 33 PHE HZ 1 66 PHE HB3 . . 4.490 4.209 3.587 4.480 . 0 0 "[ . 1 . 2]" 2
508 1 44 TYR QE 1 66 PHE HB3 . . 4.650 4.015 3.394 4.634 . 0 0 "[ . 1 . 2]" 2
509 1 33 PHE QE 1 66 PHE HB3 . . 4.660 4.087 3.521 4.658 . 0 0 "[ . 1 . 2]" 2
510 1 37 THR HB 1 66 PHE QE . . 4.300 2.719 2.163 3.377 . 0 0 "[ . 1 . 2]" 2
511 1 24 VAL HB 1 74 MET HG3 . . 4.420 3.980 3.489 4.436 0.016 5 0 "[ . 1 . 2]" 2
512 1 37 THR HA 1 40 MET HB2 . . 4.750 3.106 2.854 3.743 . 0 0 "[ . 1 . 2]" 2
513 1 37 THR HA 1 42 LEU HB2 . . 3.480 2.760 2.161 3.065 . 0 0 "[ . 1 . 2]" 2
514 1 37 THR HA 1 42 LEU MD1 . . 3.320 2.380 1.990 2.772 . 0 0 "[ . 1 . 2]" 2
515 1 37 THR HA 1 42 LEU MD2 . . 4.710 4.466 4.053 4.671 . 0 0 "[ . 1 . 2]" 2
516 1 37 THR HB 1 38 ILE HB . . 5.350 5.040 4.847 5.184 . 0 0 "[ . 1 . 2]" 2
517 1 37 THR HA 1 42 LEU HG . . 3.830 3.091 2.485 3.475 . 0 0 "[ . 1 . 2]" 2
518 1 37 THR HA 1 37 THR MG . . 3.320 2.346 2.229 2.411 . 0 0 "[ . 1 . 2]" 2
519 1 28 GLU H 1 28 GLU HG2 . . 3.920 2.839 1.925 3.784 . 0 0 "[ . 1 . 2]" 2
520 1 28 GLU HA 1 28 GLU HG2 . . 4.250 2.895 2.243 3.777 . 0 0 "[ . 1 . 2]" 2
521 1 9 GLU HA 1 9 GLU QG . . 3.520 2.798 2.198 3.406 . 0 0 "[ . 1 . 2]" 2
522 1 9 GLU QG 1 14 GLY HA3 . . 4.880 4.587 4.019 4.856 . 0 0 "[ . 1 . 2]" 2
523 1 9 GLU QG 1 16 LYS HA . . 5.120 4.017 2.244 5.121 0.001 16 0 "[ . 1 . 2]" 2
524 1 46 LYS QG 1 48 GLU HG3 . . 4.690 3.611 2.697 4.525 . 0 0 "[ . 1 . 2]" 2
525 1 48 GLU HA 1 48 GLU HG3 . . 3.870 3.046 2.255 3.812 . 0 0 "[ . 1 . 2]" 2
526 1 45 GLU H 1 45 GLU QG . . 4.080 3.562 2.013 4.081 0.001 16 0 "[ . 1 . 2]" 2
527 1 43 GLU HA 1 43 GLU HG2 . . 4.110 3.129 2.392 3.643 . 0 0 "[ . 1 . 2]" 2
528 1 43 GLU H 1 43 GLU HG3 . . 4.690 4.207 3.261 4.687 . 0 0 "[ . 1 . 2]" 2
529 1 22 TYR HB3 1 74 MET HB3 . . 4.640 3.105 2.640 3.742 . 0 0 "[ . 1 . 2]" 2
530 1 22 TYR HB2 1 34 PHE QD . . 5.460 5.295 4.893 5.468 0.008 16 0 "[ . 1 . 2]" 2
531 1 53 ILE HB 1 68 LYS QD . . 4.220 2.507 2.002 3.093 . 0 0 "[ . 1 . 2]" 2
532 1 13 CYS HB2 1 55 LYS QB . . 4.530 3.849 3.364 4.344 . 0 0 "[ . 1 . 2]" 2
533 1 12 VAL MG1 1 13 CYS HB3 . . 4.410 3.328 2.901 3.545 . 0 0 "[ . 1 . 2]" 2
534 1 13 CYS HB3 1 53 ILE MG . . 3.870 3.151 2.479 3.521 . 0 0 "[ . 1 . 2]" 2
535 1 13 CYS HB3 1 55 LYS HA . . 4.820 4.291 3.872 4.772 . 0 0 "[ . 1 . 2]" 2
536 1 13 CYS HB3 1 58 ARG HD2 . . 4.850 3.534 2.020 4.536 . 0 0 "[ . 1 . 2]" 2
537 1 13 CYS HB3 1 58 ARG HD3 . . 4.850 3.568 2.721 4.768 . 0 0 "[ . 1 . 2]" 2
538 1 12 VAL MG1 1 13 CYS HB2 . . 4.880 4.688 4.309 4.887 0.007 17 0 "[ . 1 . 2]" 2
539 1 12 VAL HA 1 68 LYS HE2 . . 4.170 2.669 2.021 3.404 . 0 0 "[ . 1 . 2]" 2
540 1 12 VAL HA 1 53 ILE HB . . 5.210 4.603 4.030 5.059 . 0 0 "[ . 1 . 2]" 2
541 1 12 VAL HA 1 68 LYS HB3 . . 5.140 4.296 3.833 5.141 0.001 9 0 "[ . 1 . 2]" 2
542 1 12 VAL HA 1 68 LYS QD . . 3.780 2.527 1.989 3.158 . 0 0 "[ . 1 . 2]" 2
543 1 12 VAL HA 1 68 LYS HG2 . . 4.480 2.781 2.467 3.147 . 0 0 "[ . 1 . 2]" 2
544 1 12 VAL HA 1 68 LYS HG3 . . 4.480 4.067 3.545 4.351 . 0 0 "[ . 1 . 2]" 2
545 1 12 VAL HA 1 12 VAL MG1 . . 3.260 2.388 2.195 2.482 . 0 0 "[ . 1 . 2]" 2
546 1 12 VAL HA 1 72 LEU MD1 . . 3.590 2.581 2.044 3.126 . 0 0 "[ . 1 . 2]" 2
547 1 62 GLN H 1 62 GLN HG2 . . 4.640 3.977 2.777 4.331 . 0 0 "[ . 1 . 2]" 2
548 1 33 PHE QE 1 62 GLN HG2 . . 4.820 3.774 2.733 4.639 . 0 0 "[ . 1 . 2]" 2
549 1 62 GLN H 1 62 GLN HG3 . . 4.640 3.401 2.725 4.172 . 0 0 "[ . 1 . 2]" 2
550 1 33 PHE QE 1 62 GLN HG3 . . 4.820 4.053 2.461 4.821 0.001 4 0 "[ . 1 . 2]" 2
551 1 62 GLN HA 1 62 GLN HG3 . . 4.070 2.671 2.190 3.710 . 0 0 "[ . 1 . 2]" 2
552 1 63 TYR QD 1 64 CYS HA . . 3.880 2.982 2.498 3.578 . 0 0 "[ . 1 . 2]" 2
553 1 64 CYS HA 1 67 GLN HB3 . . 4.020 3.881 3.732 4.022 0.002 8 0 "[ . 1 . 2]" 2
554 1 64 CYS HA 1 67 GLN HB2 . . 3.480 2.385 2.184 2.540 . 0 0 "[ . 1 . 2]" 2
555 1 30 CYS HA 1 33 PHE QD . . 4.460 4.169 3.410 4.455 . 0 0 "[ . 1 . 2]" 2
556 1 30 CYS HA 1 33 PHE HB2 . . 3.890 3.489 3.115 3.731 . 0 0 "[ . 1 . 2]" 2
557 1 30 CYS HA 1 33 PHE HB3 . . 3.440 2.662 2.273 2.981 . 0 0 "[ . 1 . 2]" 2
558 1 24 VAL MG2 1 74 MET HG3 . . 4.180 3.753 3.411 4.185 0.005 5 0 "[ . 1 . 2]" 2
559 1 64 CYS HA 1 67 GLN HG3 . . 4.670 3.548 2.983 4.079 . 0 0 "[ . 1 . 2]" 2
560 1 24 VAL MG2 1 74 MET HG2 . . 4.540 4.050 3.458 4.426 . 0 0 "[ . 1 . 2]" 2
561 1 69 CYS HA 1 69 CYS HG . . 4.240 3.486 3.008 4.021 . 0 0 "[ . 1 . 2]" 2
562 1 69 CYS HA 1 74 MET HG3 . . 4.690 3.152 2.744 3.745 . 0 0 "[ . 1 . 2]" 2
563 1 69 CYS HA 1 72 LEU HB2 . . 4.150 2.758 2.376 3.086 . 0 0 "[ . 1 . 2]" 2
564 1 69 CYS HA 1 72 LEU MD2 . . 5.370 4.623 4.378 4.937 . 0 0 "[ . 1 . 2]" 2
565 1 69 CYS HA 1 72 LEU MD1 . . 3.790 2.242 2.000 2.533 . 0 0 "[ . 1 . 2]" 2
566 1 69 CYS HB3 1 74 MET HG3 . . 4.720 3.171 1.997 4.178 . 0 0 "[ . 1 . 2]" 2
567 1 63 TYR QE 1 67 GLN HG2 . . 4.400 3.230 2.483 3.684 . 0 0 "[ . 1 . 2]" 2
568 1 67 GLN H 1 67 GLN HG2 . . 4.040 2.551 2.222 2.847 . 0 0 "[ . 1 . 2]" 2
569 1 64 CYS HA 1 67 GLN HG2 . . 4.670 3.730 3.045 4.157 . 0 0 "[ . 1 . 2]" 2
570 1 54 GLN HA 1 54 GLN HG3 . . 4.250 3.028 2.241 3.899 . 0 0 "[ . 1 . 2]" 2
571 1 63 TYR QE 1 67 GLN HG3 . . 4.400 2.344 2.005 2.664 . 0 0 "[ . 1 . 2]" 2
572 1 22 TYR HB3 1 74 MET HG2 . . 4.940 2.828 2.315 3.640 . 0 0 "[ . 1 . 2]" 2
573 1 22 TYR HB2 1 74 MET HG2 . . 4.400 2.283 1.999 3.291 . 0 0 "[ . 1 . 2]" 2
574 1 21 HIS HB3 1 26 ALA MB . . 4.760 4.609 3.841 4.776 0.016 15 0 "[ . 1 . 2]" 2
575 1 47 CYS HB3 1 63 TYR QD . . 3.530 2.358 2.028 2.979 . 0 0 "[ . 1 . 2]" 2
576 1 47 CYS H 1 47 CYS HB3 . . 3.750 2.623 2.379 2.921 . 0 0 "[ . 1 . 2]" 2
577 1 47 CYS HB2 1 63 TYR QD . . 3.840 3.350 2.996 3.781 . 0 0 "[ . 1 . 2]" 2
578 1 47 CYS H 1 47 CYS HB2 . . 3.890 2.883 2.613 3.173 . 0 0 "[ . 1 . 2]" 2
579 1 47 CYS HB2 1 63 TYR HB2 . . 4.620 3.530 3.003 3.924 . 0 0 "[ . 1 . 2]" 2
580 1 36 ARG HA 1 40 MET HG2 . . 4.740 4.621 4.478 4.748 0.008 2 0 "[ . 1 . 2]" 2
581 1 39 ARG HB2 1 40 MET HG2 . . 4.910 4.557 3.434 4.870 . 0 0 "[ . 1 . 2]" 2
582 1 39 ARG HB2 1 40 MET HG3 . . 4.910 4.569 4.106 4.937 0.027 18 0 "[ . 1 . 2]" 2
583 1 8 MET QB 1 9 GLU H . . 4.650 3.211 2.265 3.992 . 0 0 "[ . 1 . 2]" 2
584 1 47 CYS HB3 1 63 TYR HB2 . . 4.570 4.233 3.832 4.552 . 0 0 "[ . 1 . 2]" 2
585 1 10 CYS HB3 1 27 CYS QB . . 4.080 3.376 3.077 3.493 . 0 0 "[ . 1 . 2]" 2
586 1 15 ASP HB3 1 27 CYS QB . . 4.420 3.402 3.002 3.727 . 0 0 "[ . 1 . 2]" 2
587 1 10 CYS HB2 1 27 CYS QB . . 3.600 2.004 1.980 2.064 . 0 0 "[ . 1 . 2]" 2
588 1 15 ASP HB2 1 55 LYS QB . . 4.300 3.397 2.926 4.297 . 0 0 "[ . 1 . 2]" 2
589 1 55 LYS QB 1 55 LYS QD . . 3.400 2.147 2.002 2.259 . 0 0 "[ . 1 . 2]" 2
590 1 68 LYS H 1 68 LYS HB3 . . 3.720 2.623 2.257 2.800 . 0 0 "[ . 1 . 2]" 2
591 1 12 VAL MG1 1 68 LYS HB2 . . 4.590 4.298 3.926 4.544 . 0 0 "[ . 1 . 2]" 2
592 1 55 LYS QB 1 56 LYS H . . 4.630 3.057 2.327 3.698 . 0 0 "[ . 1 . 2]" 2
593 1 63 TYR HA 1 66 PHE HB3 . . 4.280 3.267 2.845 3.424 . 0 0 "[ . 1 . 2]" 2
594 1 63 TYR HA 1 63 TYR QD . . 3.660 2.848 2.401 3.049 . 0 0 "[ . 1 . 2]" 2
595 1 44 TYR QD 1 63 TYR HA . . 3.570 2.669 2.002 3.289 . 0 0 "[ . 1 . 2]" 2
596 1 44 TYR HB2 1 63 TYR HA . . 3.640 2.772 2.142 3.184 . 0 0 "[ . 1 . 2]" 2
597 1 12 VAL MG1 1 68 LYS HB3 . . 4.250 3.156 2.724 3.659 . 0 0 "[ . 1 . 2]" 2
598 1 16 LYS QB 1 17 ALA H . . 4.040 3.418 2.730 3.880 . 0 0 "[ . 1 . 2]" 2
599 1 33 PHE QD 1 34 PHE HA . . 4.000 2.916 2.427 3.730 . 0 0 "[ . 1 . 2]" 2
600 1 34 PHE HA 1 66 PHE QD . . 4.310 3.058 2.715 3.468 . 0 0 "[ . 1 . 2]" 2
601 1 34 PHE HA 1 66 PHE QE . . 3.970 3.539 3.110 3.921 . 0 0 "[ . 1 . 2]" 2
602 1 34 PHE HA 1 34 PHE QD . . 3.650 2.575 2.420 2.745 . 0 0 "[ . 1 . 2]" 2
603 1 34 PHE HA 1 37 THR HG1 . . 3.900 3.237 2.801 3.869 . 0 0 "[ . 1 . 2]" 2
604 1 34 PHE HA 1 37 THR HB . . 3.610 3.121 2.909 3.314 . 0 0 "[ . 1 . 2]" 2
605 1 34 PHE HA 1 37 THR MG . . 4.860 4.348 4.130 4.535 . 0 0 "[ . 1 . 2]" 2
606 1 52 LYS H 1 52 LYS HB3 . . 4.110 3.174 2.424 3.666 . 0 0 "[ . 1 . 2]" 2
607 1 22 TYR HB2 1 74 MET HB3 . . 4.780 3.804 3.219 4.492 . 0 0 "[ . 1 . 2]" 2
608 1 11 ARG HB2 1 12 VAL HB . . 5.500 5.368 5.127 5.519 0.019 20 0 "[ . 1 . 2]" 2
609 1 12 VAL HB 1 68 LYS QD . . 5.500 4.789 4.102 5.389 . 0 0 "[ . 1 . 2]" 2
610 1 40 MET HB3 1 42 LEU HG . . 4.020 2.353 2.030 2.838 . 0 0 "[ . 1 . 2]" 2
611 1 38 ILE HA 1 39 ARG HA . . 5.090 4.807 4.749 4.874 . 0 0 "[ . 1 . 2]" 2
612 1 38 ILE HA 1 38 ILE HG12 . . 4.090 3.051 2.930 3.290 . 0 0 "[ . 1 . 2]" 2
613 1 38 ILE HA 1 38 ILE HG13 . . 4.090 3.739 3.657 3.796 . 0 0 "[ . 1 . 2]" 2
614 1 38 ILE HA 1 38 ILE MG . . 3.130 2.354 2.257 2.430 . 0 0 "[ . 1 . 2]" 2
615 1 37 THR MG 1 38 ILE HA . . 4.420 3.671 3.486 3.858 . 0 0 "[ . 1 . 2]" 2
616 1 38 ILE HA 1 42 LEU H . . 4.800 4.461 4.200 4.653 . 0 0 "[ . 1 . 2]" 2
617 1 51 CYS HA 1 52 LYS H . . 3.130 2.278 2.167 2.469 . 0 0 "[ . 1 . 2]" 2
618 1 33 PHE HZ 1 65 ARG QB . . 4.930 2.578 2.121 3.049 . 0 0 "[ . 1 . 2]" 2
619 1 32 GLY HA2 1 35 ARG HB2 . . 4.590 4.037 3.377 4.466 . 0 0 "[ . 1 . 2]" 2
620 1 11 ARG H 1 11 ARG HB3 . . 4.050 3.639 3.585 3.697 . 0 0 "[ . 1 . 2]" 2
621 1 22 TYR QE 1 35 ARG HB3 . . 5.410 5.188 4.835 5.418 0.008 3 0 "[ . 1 . 2]" 2
622 1 78 ALA MB 1 79 ILE HA . . 4.840 3.801 3.526 4.353 . 0 0 "[ . 1 . 2]" 2
623 1 22 TYR QE 1 79 ILE HA . . 4.600 4.127 2.661 4.583 . 0 0 "[ . 1 . 2]" 2
624 1 79 ILE HA 1 79 ILE HG12 . . 4.090 2.970 2.519 3.488 . 0 0 "[ . 1 . 2]" 2
625 1 79 ILE HA 1 79 ILE HG13 . . 4.090 3.077 2.197 3.822 . 0 0 "[ . 1 . 2]" 2
626 1 79 ILE HA 1 79 ILE MG . . 3.270 2.381 2.177 2.467 . 0 0 "[ . 1 . 2]" 2
627 1 11 ARG HG3 1 25 HIS HB2 . . 4.590 2.965 2.500 3.585 . 0 0 "[ . 1 . 2]" 2
628 1 8 MET QG 1 25 HIS HB3 . . 5.320 4.593 3.120 5.216 . 0 0 "[ . 1 . 2]" 2
629 1 39 ARG HB3 1 40 MET H . . 4.120 3.999 3.593 4.173 0.053 3 0 "[ . 1 . 2]" 2
630 1 11 ARG HB2 1 72 LEU MD1 . . 3.970 2.368 2.111 2.622 . 0 0 "[ . 1 . 2]" 2
631 1 39 ARG H 1 39 ARG HB2 . . 3.680 3.581 3.505 3.607 . 0 0 "[ . 1 . 2]" 2
632 1 9 GLU HA 1 10 CYS HB3 . . 5.050 4.766 4.595 4.863 . 0 0 "[ . 1 . 2]" 2
633 1 10 CYS HB2 1 15 ASP H . . 4.590 4.506 4.363 4.618 0.028 6 0 "[ . 1 . 2]" 2
634 1 10 CYS HB2 1 13 CYS H . . 4.700 4.290 4.123 4.497 . 0 0 "[ . 1 . 2]" 2
635 1 11 ARG HB2 1 72 LEU MD2 . . 4.380 2.716 2.043 3.262 . 0 0 "[ . 1 . 2]" 2
636 1 51 CYS HB2 1 64 CYS HB3 . . 4.280 3.205 3.059 3.322 . 0 0 "[ . 1 . 2]" 2
637 1 51 CYS HB3 1 64 CYS HB3 . . 5.060 4.878 4.675 4.998 . 0 0 "[ . 1 . 2]" 2
638 1 51 CYS HB3 1 53 ILE MD . . 5.040 4.398 3.905 4.913 . 0 0 "[ . 1 . 2]" 2
639 1 45 GLU HB2 1 46 LYS H . . 4.560 3.914 2.461 4.457 . 0 0 "[ . 1 . 2]" 2
640 1 45 GLU H 1 45 GLU HB3 . . 3.680 2.714 2.380 3.543 . 0 0 "[ . 1 . 2]" 2
641 1 45 GLU HB3 1 46 LYS H . . 4.560 3.864 2.930 4.238 . 0 0 "[ . 1 . 2]" 2
642 1 55 LYS HA 1 55 LYS QD . . 4.800 4.147 2.661 4.457 . 0 0 "[ . 1 . 2]" 2
643 1 33 PHE HA 1 36 ARG HB2 . . 4.590 3.880 3.662 4.132 . 0 0 "[ . 1 . 2]" 2
644 1 33 PHE HA 1 33 PHE QD . . 3.640 2.899 2.517 3.138 . 0 0 "[ . 1 . 2]" 2
645 1 33 PHE HA 1 36 ARG HB3 . . 4.590 2.789 2.580 3.025 . 0 0 "[ . 1 . 2]" 2
646 1 31 LYS HA 1 35 ARG H . . 4.880 4.119 3.542 4.627 . 0 0 "[ . 1 . 2]" 2
647 1 22 TYR QE 1 31 LYS HA . . 3.970 3.173 2.434 3.895 . 0 0 "[ . 1 . 2]" 2
648 1 31 LYS HA 1 34 PHE HB2 . . 4.800 4.153 3.740 4.581 . 0 0 "[ . 1 . 2]" 2
649 1 31 LYS HA 1 34 PHE HB3 . . 4.210 3.336 2.893 3.909 . 0 0 "[ . 1 . 2]" 2
650 1 26 ALA MB 1 31 LYS HA . . 4.400 3.578 2.962 4.217 . 0 0 "[ . 1 . 2]" 2
651 1 31 LYS HA 1 31 LYS QG . . 3.550 2.493 2.118 2.806 . 0 0 "[ . 1 . 2]" 2
652 1 64 CYS HB3 1 65 ARG H . . 4.900 3.406 3.142 3.763 . 0 0 "[ . 1 . 2]" 2
653 1 64 CYS H 1 64 CYS HB3 . . 3.830 3.598 3.569 3.619 . 0 0 "[ . 1 . 2]" 2
654 1 64 CYS HB2 1 65 ARG H . . 4.750 2.549 2.306 2.871 . 0 0 "[ . 1 . 2]" 2
655 1 51 CYS HB3 1 64 CYS HB2 . . 4.590 4.527 4.253 4.592 0.002 19 0 "[ . 1 . 2]" 2
656 1 53 ILE MD 1 64 CYS HB2 . . 4.150 2.838 2.472 3.120 . 0 0 "[ . 1 . 2]" 2
657 1 46 LYS HA 1 46 LYS QD . . 4.840 3.623 2.259 4.198 . 0 0 "[ . 1 . 2]" 2
658 1 55 LYS HA 1 55 LYS QE . . 5.500 4.855 4.293 5.517 0.017 15 0 "[ . 1 . 2]" 2
659 1 13 CYS HB2 1 55 LYS HA . . 4.260 2.583 2.207 3.133 . 0 0 "[ . 1 . 2]" 2
660 1 16 LYS HA 1 16 LYS QD . . 4.400 4.019 2.511 4.377 . 0 0 "[ . 1 . 2]" 2
661 1 56 LYS HA 1 56 LYS QD . . 4.730 3.346 1.991 4.464 . 0 0 "[ . 1 . 2]" 2
662 1 64 CYS HB3 1 65 ARG HA . . 5.060 4.232 4.093 4.441 . 0 0 "[ . 1 . 2]" 2
663 1 65 ARG HA 1 69 CYS HG . . 5.500 4.767 4.358 5.333 . 0 0 "[ . 1 . 2]" 2
664 1 65 ARG HA 1 68 LYS HB3 . . 3.920 3.444 3.076 3.646 . 0 0 "[ . 1 . 2]" 2
665 1 65 ARG HA 1 68 LYS HB2 . . 4.450 3.843 3.535 4.266 . 0 0 "[ . 1 . 2]" 2
666 1 65 ARG HA 1 68 LYS QD . . 4.540 4.063 3.553 4.503 . 0 0 "[ . 1 . 2]" 2
667 1 65 ARG HA 1 65 ARG HG2 . . 4.180 3.238 2.665 3.849 . 0 0 "[ . 1 . 2]" 2
668 1 65 ARG HA 1 65 ARG HG3 . . 4.180 2.512 2.177 2.886 . 0 0 "[ . 1 . 2]" 2
669 1 12 VAL MG1 1 30 CYS HB2 . . 4.900 3.738 3.440 4.010 . 0 0 "[ . 1 . 2]" 2
670 1 12 VAL MG2 1 30 CYS HB2 . . 4.360 3.397 3.048 3.804 . 0 0 "[ . 1 . 2]" 2
671 1 30 CYS H 1 30 CYS HB3 . . 3.780 3.593 3.571 3.609 . 0 0 "[ . 1 . 2]" 2
672 1 30 CYS HB3 1 31 LYS H . . 4.170 3.436 3.147 4.067 . 0 0 "[ . 1 . 2]" 2
673 1 52 LYS HA 1 52 LYS QD . . 4.630 3.590 2.226 4.458 . 0 0 "[ . 1 . 2]" 2
674 1 22 TYR QE 1 35 ARG HA . . 4.760 4.210 3.683 4.494 . 0 0 "[ . 1 . 2]" 2
675 1 35 ARG HA 1 38 ILE MG . . 4.960 4.136 3.939 4.354 . 0 0 "[ . 1 . 2]" 2
676 1 35 ARG HA 1 38 ILE H . . 4.470 3.417 3.272 3.830 . 0 0 "[ . 1 . 2]" 2
677 1 34 PHE QD 1 35 ARG HA . . 4.750 3.380 3.109 3.774 . 0 0 "[ . 1 . 2]" 2
678 1 35 ARG HA 1 35 ARG HG2 . . 3.870 3.205 2.364 3.860 . 0 0 "[ . 1 . 2]" 2
679 1 35 ARG HA 1 35 ARG HG3 . . 3.870 2.606 2.352 3.612 . 0 0 "[ . 1 . 2]" 2
680 1 35 ARG HA 1 38 ILE HB . . 4.100 2.813 2.626 3.143 . 0 0 "[ . 1 . 2]" 2
681 1 35 ARG HA 1 38 ILE HG12 . . 4.610 3.192 2.648 3.543 . 0 0 "[ . 1 . 2]" 2
682 1 35 ARG HA 1 38 ILE MD . . 4.860 4.536 4.251 4.799 . 0 0 "[ . 1 . 2]" 2
683 1 68 LYS HA 1 72 LEU H . . 4.610 4.215 3.996 4.508 . 0 0 "[ . 1 . 2]" 2
684 1 68 LYS HA 1 68 LYS HG3 . . 3.920 2.449 2.296 2.798 . 0 0 "[ . 1 . 2]" 2
685 1 36 ARG HA 1 36 ARG HG3 . . 4.130 2.552 2.480 2.711 . 0 0 "[ . 1 . 2]" 2
686 1 53 ILE HA 1 54 GLN H . . 3.360 2.181 2.140 2.274 . 0 0 "[ . 1 . 2]" 2
687 1 36 ARG HA 1 39 ARG H . . 4.000 3.819 3.554 4.006 0.006 19 0 "[ . 1 . 2]" 2
688 1 36 ARG HA 1 40 MET HG3 . . 4.740 3.095 2.881 4.320 . 0 0 "[ . 1 . 2]" 2
689 1 36 ARG HA 1 36 ARG HG2 . . 4.130 3.479 3.298 3.576 . 0 0 "[ . 1 . 2]" 2
690 1 33 PHE HZ 1 62 GLN HA . . 4.390 3.346 2.697 4.267 . 0 0 "[ . 1 . 2]" 2
691 1 62 GLN HA 1 65 ARG H . . 4.690 3.898 3.528 4.334 . 0 0 "[ . 1 . 2]" 2
692 1 33 PHE QE 1 62 GLN HA . . 4.660 3.515 2.585 4.163 . 0 0 "[ . 1 . 2]" 2
693 1 62 GLN HA 1 62 GLN HG2 . . 4.070 2.999 2.215 3.705 . 0 0 "[ . 1 . 2]" 2
694 1 62 GLN HA 1 65 ARG QB . . 3.730 2.809 2.561 3.207 . 0 0 "[ . 1 . 2]" 2
695 1 39 ARG HA 1 39 ARG HG3 . . 4.110 3.671 3.559 3.841 . 0 0 "[ . 1 . 2]" 2
696 1 38 ILE MG 1 39 ARG HA . . 3.990 3.366 3.118 3.592 . 0 0 "[ . 1 . 2]" 2
697 1 10 CYS HA 1 26 ALA HA . . 3.240 2.668 2.482 2.756 . 0 0 "[ . 1 . 2]" 2
698 1 9 GLU QB 1 10 CYS HA . . 5.280 4.727 4.296 5.135 . 0 0 "[ . 1 . 2]" 2
699 1 10 CYS HA 1 11 ARG HB2 . . 5.500 4.630 4.487 4.775 . 0 0 "[ . 1 . 2]" 2
700 1 36 ARG H 1 36 ARG HG2 . . 4.880 4.476 4.275 4.554 . 0 0 "[ . 1 . 2]" 2
701 1 11 ARG HG2 1 72 LEU MD1 . . 4.810 4.652 4.368 4.814 0.004 8 0 "[ . 1 . 2]" 2
702 1 11 ARG HB3 1 72 LEU MD1 . . 3.590 2.892 2.133 3.384 . 0 0 "[ . 1 . 2]" 2
703 1 72 LEU HB2 1 72 LEU MD1 . . 3.360 2.220 2.078 2.347 . 0 0 "[ . 1 . 2]" 2
704 1 68 LYS HG2 1 72 LEU MD1 . . 3.760 2.373 2.021 2.910 . 0 0 "[ . 1 . 2]" 2
705 1 68 LYS HG3 1 72 LEU MD1 . . 3.760 3.392 2.855 3.755 . 0 0 "[ . 1 . 2]" 2
706 1 34 PHE QD 1 69 CYS HB2 . . 4.280 2.742 2.305 3.417 . 0 0 "[ . 1 . 2]" 2
707 1 69 CYS HB2 1 74 MET HB2 . . 4.710 4.194 3.769 4.660 . 0 0 "[ . 1 . 2]" 2
708 1 69 CYS HB3 1 74 MET HB3 . . 4.690 3.574 2.920 4.005 . 0 0 "[ . 1 . 2]" 2
709 1 36 ARG HG2 1 42 LEU MD1 . . 4.520 2.590 1.995 2.928 . 0 0 "[ . 1 . 2]" 2
710 1 28 GLU HA 1 31 LYS H . . 4.310 3.915 3.467 4.293 . 0 0 "[ . 1 . 2]" 2
711 1 28 GLU HA 1 28 GLU HG3 . . 4.250 3.411 2.537 3.822 . 0 0 "[ . 1 . 2]" 2
712 1 28 GLU HA 1 31 LYS HB3 . . 3.950 2.703 2.289 3.801 . 0 0 "[ . 1 . 2]" 2
713 1 28 GLU HA 1 31 LYS HB2 . . 3.950 3.315 2.562 3.735 . 0 0 "[ . 1 . 2]" 2
714 1 28 GLU HA 1 32 GLY H . . 4.720 4.112 3.533 4.491 . 0 0 "[ . 1 . 2]" 2
715 1 34 PHE QD 1 69 CYS HB3 . . 4.070 2.740 2.341 3.396 . 0 0 "[ . 1 . 2]" 2
716 1 66 PHE HA 1 69 CYS HB3 . . 4.770 4.638 4.280 4.767 . 0 0 "[ . 1 . 2]" 2
717 1 69 CYS HB3 1 74 MET HB2 . . 4.280 2.751 2.342 3.229 . 0 0 "[ . 1 . 2]" 2
718 1 44 TYR QD 1 62 GLN HB2 . . 4.820 3.691 3.209 4.357 . 0 0 "[ . 1 . 2]" 2
719 1 11 ARG HG2 1 25 HIS HB2 . . 4.590 2.837 2.241 3.730 . 0 0 "[ . 1 . 2]" 2
720 1 11 ARG HG2 1 25 HIS HB3 . . 4.990 3.520 2.745 4.691 . 0 0 "[ . 1 . 2]" 2
721 1 39 ARG H 1 39 ARG HG2 . . 4.390 2.486 1.985 3.248 . 0 0 "[ . 1 . 2]" 2
722 1 39 ARG HA 1 39 ARG HG2 . . 4.110 3.876 3.669 4.212 0.102 12 0 "[ . 1 . 2]" 2
723 1 39 ARG H 1 39 ARG HG3 . . 4.390 3.121 2.019 3.863 . 0 0 "[ . 1 . 2]" 2
724 1 44 TYR QD 1 62 GLN HB3 . . 4.820 3.225 2.720 3.594 . 0 0 "[ . 1 . 2]" 2
725 1 11 ARG HG3 1 25 HIS HB3 . . 4.990 4.286 3.586 4.967 . 0 0 "[ . 1 . 2]" 2
726 1 11 ARG HA 1 11 ARG HG3 . . 4.030 3.789 3.467 3.874 . 0 0 "[ . 1 . 2]" 2
727 1 11 ARG HG3 1 72 LEU MD1 . . 4.810 4.103 3.786 4.361 . 0 0 "[ . 1 . 2]" 2
728 1 49 ARG H 1 49 ARG HG2 . . 4.530 3.255 2.346 4.115 . 0 0 "[ . 1 . 2]" 2
729 1 79 ILE HG12 1 79 ILE MG . . 3.710 2.575 1.977 3.198 . 0 0 "[ . 1 . 2]" 2
730 1 67 GLN HA 1 67 GLN HE21 . . 4.780 3.465 2.305 4.426 . 0 0 "[ . 1 . 2]" 2
731 1 67 GLN HA 1 67 GLN HE22 . . 4.780 3.708 3.253 4.313 . 0 0 "[ . 1 . 2]" 2
732 1 67 GLN HA 1 70 LEU HB2 . . 3.650 3.038 2.894 3.265 . 0 0 "[ . 1 . 2]" 2
733 1 67 GLN HA 1 70 LEU HG . . 4.330 3.455 2.934 3.862 . 0 0 "[ . 1 . 2]" 2
734 1 67 GLN HA 1 70 LEU MD1 . . 3.550 2.358 1.999 2.676 . 0 0 "[ . 1 . 2]" 2
735 1 46 LYS HA 1 63 TYR QD . . 3.830 3.313 2.932 3.570 . 0 0 "[ . 1 . 2]" 2
736 1 46 LYS HA 1 47 CYS H . . 3.010 2.160 2.140 2.279 . 0 0 "[ . 1 . 2]" 2
737 1 46 LYS HA 1 63 TYR HB2 . . 4.840 4.431 3.924 4.745 . 0 0 "[ . 1 . 2]" 2
738 1 46 LYS HA 1 47 CYS HB3 . . 4.850 4.660 4.496 4.804 . 0 0 "[ . 1 . 2]" 2
739 1 46 LYS HA 1 46 LYS QG . . 3.680 2.491 2.282 3.013 . 0 0 "[ . 1 . 2]" 2
740 1 46 LYS HA 1 63 TYR HB3 . . 5.200 4.682 4.055 5.078 . 0 0 "[ . 1 . 2]" 2
741 1 46 LYS HA 1 47 CYS HA . . 4.790 4.402 4.388 4.458 . 0 0 "[ . 1 . 2]" 2
742 1 22 TYR HB3 1 74 MET HA . . 4.510 2.345 2.005 2.918 . 0 0 "[ . 1 . 2]" 2
743 1 22 TYR HB2 1 74 MET HA . . 4.640 3.047 2.612 3.374 . 0 0 "[ . 1 . 2]" 2
744 1 74 MET HA 1 74 MET HG3 . . 4.040 3.090 2.764 3.602 . 0 0 "[ . 1 . 2]" 2
745 1 74 MET HA 1 74 MET HG2 . . 3.600 2.301 2.166 2.563 . 0 0 "[ . 1 . 2]" 2
746 1 46 LYS HA 1 63 TYR QE . . 4.160 2.858 2.698 3.093 . 0 0 "[ . 1 . 2]" 2
747 1 46 LYS QG 1 47 CYS HA . . 4.740 4.064 3.217 4.658 . 0 0 "[ . 1 . 2]" 2
748 1 35 ARG HA 1 38 ILE HG13 . . 4.610 3.296 3.041 3.817 . 0 0 "[ . 1 . 2]" 2
749 1 56 LYS HA 1 56 LYS QG . . 3.620 2.684 2.167 3.418 . 0 0 "[ . 1 . 2]" 2
750 1 40 MET HB2 1 42 LEU HG . . 3.790 2.048 1.995 2.160 . 0 0 "[ . 1 . 2]" 2
751 1 22 TYR HA 1 22 TYR QD . . 3.600 3.010 2.822 3.197 . 0 0 "[ . 1 . 2]" 2
752 1 22 TYR HA 1 78 ALA MB . . 4.290 3.609 3.117 4.025 . 0 0 "[ . 1 . 2]" 2
753 1 12 VAL MG1 1 65 ARG HG2 . . 4.330 3.796 3.205 4.334 0.004 10 0 "[ . 1 . 2]" 2
754 1 12 VAL MG1 1 65 ARG HG3 . . 4.330 3.295 2.798 3.656 . 0 0 "[ . 1 . 2]" 2
755 1 16 LYS HA 1 16 LYS HG2 . . 4.040 3.080 2.522 3.909 . 0 0 "[ . 1 . 2]" 2
756 1 16 LYS HA 1 16 LYS HG3 . . 4.040 3.077 2.513 4.190 0.150 11 0 "[ . 1 . 2]" 2
757 1 11 ARG HA 1 11 ARG HG2 . . 4.030 2.821 2.352 3.018 . 0 0 "[ . 1 . 2]" 2
758 1 70 LEU HA 1 70 LEU HG . . 3.910 2.997 2.822 3.168 . 0 0 "[ . 1 . 2]" 2
759 1 70 LEU HA 1 70 LEU MD2 . . 2.980 2.162 1.979 2.409 . 0 0 "[ . 1 . 2]" 2
760 1 49 ARG HA 1 49 ARG HG2 . . 3.750 2.544 2.224 3.490 . 0 0 "[ . 1 . 2]" 2
761 1 49 ARG HA 1 49 ARG HG3 . . 3.750 3.100 2.174 3.688 . 0 0 "[ . 1 . 2]" 2
762 1 11 ARG HA 1 72 LEU MD1 . . 4.500 4.250 3.859 4.476 . 0 0 "[ . 1 . 2]" 2
763 1 45 GLU HA 1 46 LYS H . . 2.740 2.215 2.138 2.446 . 0 0 "[ . 1 . 2]" 2
764 1 45 GLU HA 1 46 LYS HB2 . . 5.040 4.505 4.314 4.745 . 0 0 "[ . 1 . 2]" 2
765 1 45 GLU HA 1 46 LYS HB3 . . 5.040 4.781 4.550 5.002 . 0 0 "[ . 1 . 2]" 2
766 1 45 GLU HA 1 45 GLU QG . . 3.670 2.629 2.192 3.456 . 0 0 "[ . 1 . 2]" 2
767 1 68 LYS H 1 68 LYS HG2 . . 4.870 4.533 4.225 4.620 . 0 0 "[ . 1 . 2]" 2
768 1 12 VAL MG1 1 68 LYS HG2 . . 4.770 3.121 2.196 3.462 . 0 0 "[ . 1 . 2]" 2
769 1 68 LYS HG2 1 72 LEU MD2 . . 5.200 3.817 3.246 4.610 . 0 0 "[ . 1 . 2]" 2
770 1 12 VAL MG1 1 68 LYS HG3 . . 4.770 4.502 3.633 4.774 0.004 5 0 "[ . 1 . 2]" 2
771 1 68 LYS HG3 1 72 LEU MD2 . . 5.200 3.791 3.320 4.463 . 0 0 "[ . 1 . 2]" 2
772 1 66 PHE QE 1 70 LEU HG . . 4.860 3.712 2.645 4.171 . 0 0 "[ . 1 . 2]" 2
773 1 70 LEU HA 1 70 LEU MD1 . . 4.030 3.903 3.863 3.935 . 0 0 "[ . 1 . 2]" 2
774 1 20 PHE HA 1 21 HIS H . . 3.550 2.228 2.139 2.268 . 0 0 "[ . 1 . 2]" 2
775 1 20 PHE HA 1 25 HIS HD2 . . 5.000 4.315 3.035 4.857 . 0 0 "[ . 1 . 2]" 2
776 1 20 PHE HA 1 20 PHE QD . . 3.950 2.248 2.005 3.164 . 0 0 "[ . 1 . 2]" 2
777 1 20 PHE HA 1 25 HIS HA . . 2.800 2.712 2.486 2.803 0.003 4 0 "[ . 1 . 2]" 2
778 1 41 LYS HA 1 41 LYS QG . . 3.530 2.575 2.257 3.343 . 0 0 "[ . 1 . 2]" 2
779 1 41 LYS HA 1 41 LYS QD . . 4.670 3.300 1.996 4.397 . 0 0 "[ . 1 . 2]" 2
780 1 70 LEU H 1 70 LEU MD1 . . 3.710 3.454 3.222 3.589 . 0 0 "[ . 1 . 2]" 2
781 1 66 PHE QD 1 70 LEU MD1 . . 4.200 2.778 1.986 3.191 . 0 0 "[ . 1 . 2]" 2
782 1 66 PHE QE 1 70 LEU MD1 . . 3.680 2.439 2.005 2.943 . 0 0 "[ . 1 . 2]" 2
783 1 70 LEU HB2 1 70 LEU MD1 . . 3.200 2.198 2.057 2.359 . 0 0 "[ . 1 . 2]" 2
784 1 42 LEU MD1 1 44 TYR QE . . 4.030 3.694 3.369 4.010 . 0 0 "[ . 1 . 2]" 2
785 1 40 MET HB3 1 42 LEU MD1 . . 4.520 3.093 2.790 3.551 . 0 0 "[ . 1 . 2]" 2
786 1 40 MET HB2 1 42 LEU MD1 . . 4.070 2.572 2.262 2.939 . 0 0 "[ . 1 . 2]" 2
787 1 36 ARG HG3 1 42 LEU MD1 . . 4.520 3.402 2.411 3.796 . 0 0 "[ . 1 . 2]" 2
788 1 37 THR MG 1 42 LEU MD1 . . 4.380 3.310 2.754 3.704 . 0 0 "[ . 1 . 2]" 2
789 1 80 ARG HA 1 80 ARG HG2 . . 4.100 3.156 2.241 3.912 . 0 0 "[ . 1 . 2]" 2
790 1 80 ARG HA 1 80 ARG HG3 . . 4.100 3.255 2.353 3.938 . 0 0 "[ . 1 . 2]" 2
791 1 46 LYS QG 1 63 TYR QE . . 4.330 3.336 2.459 4.309 . 0 0 "[ . 1 . 2]" 2
792 1 46 LYS QG 1 48 GLU HG2 . . 4.690 3.800 2.732 4.662 . 0 0 "[ . 1 . 2]" 2
793 1 52 LYS HA 1 52 LYS HG2 . . 4.100 2.804 2.189 3.671 . 0 0 "[ . 1 . 2]" 2
794 1 52 LYS HA 1 52 LYS HG3 . . 4.100 3.087 2.226 3.905 . 0 0 "[ . 1 . 2]" 2
795 1 16 LYS HG3 1 17 ALA H . . 4.760 3.834 3.093 4.591 . 0 0 "[ . 1 . 2]" 2
796 1 21 HIS HB3 1 31 LYS QG . . 4.600 3.543 2.835 4.260 . 0 0 "[ . 1 . 2]" 2
797 1 9 GLU HA 1 10 CYS H . . 2.960 2.236 2.139 2.465 . 0 0 "[ . 1 . 2]" 2
798 1 9 GLU HA 1 16 LYS HA . . 3.480 2.416 1.999 3.143 . 0 0 "[ . 1 . 2]" 2
799 1 9 GLU HA 1 14 GLY HA2 . . 5.500 5.164 4.264 5.507 0.007 8 0 "[ . 1 . 2]" 2
800 1 40 MET HA 1 40 MET HG2 . . 3.970 2.418 2.311 2.623 . 0 0 "[ . 1 . 2]" 2
801 1 40 MET HA 1 40 MET HG3 . . 3.970 3.334 3.213 3.745 . 0 0 "[ . 1 . 2]" 2
802 1 72 LEU HA 1 72 LEU HG . . 3.630 2.922 2.816 3.073 . 0 0 "[ . 1 . 2]" 2
803 1 72 LEU HA 1 72 LEU MD1 . . 4.260 3.865 3.834 3.896 . 0 0 "[ . 1 . 2]" 2
804 1 71 ALA HA 1 73 GLY H . . 4.520 3.943 3.699 4.089 . 0 0 "[ . 1 . 2]" 2
805 1 42 LEU HA 1 42 LEU HG . . 4.040 3.054 2.863 3.163 . 0 0 "[ . 1 . 2]" 2
806 1 8 MET HA 1 8 MET QG . . 3.620 2.502 2.121 3.405 . 0 0 "[ . 1 . 2]" 2
807 1 8 MET HA 1 9 GLU QG . . 4.720 4.391 3.955 4.765 0.045 14 0 "[ . 1 . 2]" 2
808 1 8 MET HA 1 17 ALA MB . . 4.670 3.945 3.016 4.608 . 0 0 "[ . 1 . 2]" 2
809 1 43 GLU HA 1 43 GLU HG3 . . 4.110 3.158 2.321 4.175 0.065 19 0 "[ . 1 . 2]" 2
810 1 68 LYS HE3 1 72 LEU MD2 . . 5.500 3.523 2.761 4.206 . 0 0 "[ . 1 . 2]" 2
811 1 12 VAL MG1 1 65 ARG HE . . 4.700 4.050 2.433 4.702 0.002 4 0 "[ . 1 . 2]" 2
812 1 12 VAL MG1 1 13 CYS HA . . 4.680 3.601 3.256 3.790 . 0 0 "[ . 1 . 2]" 2
813 1 12 VAL MG1 1 65 ARG HA . . 4.110 3.876 3.574 4.111 0.001 16 0 "[ . 1 . 2]" 2
814 1 12 VAL MG1 1 69 CYS HA . . 4.620 4.142 3.476 4.534 . 0 0 "[ . 1 . 2]" 2
815 1 12 VAL MG1 1 30 CYS HB3 . . 4.350 2.559 2.193 2.939 . 0 0 "[ . 1 . 2]" 2
816 1 11 ARG HB3 1 72 LEU MD2 . . 3.450 2.141 1.901 2.502 . 0 0 "[ . 1 . 2]" 2
817 1 72 LEU HA 1 72 LEU MD2 . . 2.890 2.136 1.978 2.379 . 0 0 "[ . 1 . 2]" 2
818 1 26 ALA H 1 26 ALA MB . . 3.410 2.419 2.253 2.563 . 0 0 "[ . 1 . 2]" 2
819 1 21 HIS HD2 1 26 ALA MB . . 3.380 3.273 2.999 3.380 . 0 0 "[ . 1 . 2]" 2
820 1 10 CYS HA 1 26 ALA MB . . 4.340 4.280 4.126 4.356 0.016 15 0 "[ . 1 . 2]" 2
821 1 26 ALA MB 1 30 CYS HB3 . . 3.920 3.589 2.902 3.915 . 0 0 "[ . 1 . 2]" 2
822 1 21 HIS HB2 1 26 ALA MB . . 3.610 3.125 2.714 3.279 . 0 0 "[ . 1 . 2]" 2
823 1 26 ALA MB 1 30 CYS HB2 . . 3.760 2.854 2.260 3.185 . 0 0 "[ . 1 . 2]" 2
824 1 40 MET HB2 1 42 LEU MD2 . . 3.670 3.274 2.991 3.492 . 0 0 "[ . 1 . 2]" 2
825 1 42 LEU HA 1 42 LEU MD2 . . 2.990 2.249 2.032 2.543 . 0 0 "[ . 1 . 2]" 2
826 1 40 MET HB3 1 42 LEU MD2 . . 3.510 2.426 2.065 2.762 . 0 0 "[ . 1 . 2]" 2
827 1 11 ARG H 1 12 VAL MG2 . . 4.450 3.543 3.273 3.931 . 0 0 "[ . 1 . 2]" 2
828 1 12 VAL MG2 1 69 CYS HA . . 3.520 3.093 2.746 3.418 . 0 0 "[ . 1 . 2]" 2
829 1 12 VAL HA 1 12 VAL MG2 . . 3.270 2.401 2.235 2.515 . 0 0 "[ . 1 . 2]" 2
830 1 12 VAL MG2 1 30 CYS HB3 . . 3.830 2.754 2.393 3.090 . 0 0 "[ . 1 . 2]" 2
831 1 11 ARG HB3 1 12 VAL MG2 . . 4.920 4.279 4.114 4.493 . 0 0 "[ . 1 . 2]" 2
832 1 12 VAL MG2 1 68 LYS HB3 . . 5.150 4.164 3.515 5.129 . 0 0 "[ . 1 . 2]" 2
833 1 66 PHE HZ 1 70 LEU MD2 . . 4.110 3.145 2.725 3.625 . 0 0 "[ . 1 . 2]" 2
834 1 66 PHE QE 1 70 LEU MD2 . . 4.120 3.123 2.477 3.602 . 0 0 "[ . 1 . 2]" 2
835 1 34 PHE HZ 1 70 LEU MD2 . . 4.010 3.410 2.756 4.011 0.001 15 0 "[ . 1 . 2]" 2
836 1 34 PHE QE 1 70 LEU MD2 . . 3.580 2.629 2.042 3.344 . 0 0 "[ . 1 . 2]" 2
837 1 67 GLN HA 1 70 LEU MD2 . . 4.920 4.681 4.355 4.918 . 0 0 "[ . 1 . 2]" 2
838 1 38 ILE MD 1 70 LEU MD2 . . 4.370 3.637 2.778 4.127 . 0 0 "[ . 1 . 2]" 2
839 1 11 ARG HB3 1 24 VAL MG2 . . 3.880 3.487 2.816 3.875 . 0 0 "[ . 1 . 2]" 2
840 1 11 ARG H 1 24 VAL MG2 . . 4.590 3.867 3.438 4.262 . 0 0 "[ . 1 . 2]" 2
841 1 24 VAL MG2 1 74 MET HA . . 5.290 5.007 4.636 5.277 . 0 0 "[ . 1 . 2]" 2
842 1 24 VAL HA 1 24 VAL MG2 . . 3.470 2.322 2.162 2.436 . 0 0 "[ . 1 . 2]" 2
843 1 24 VAL MG2 1 72 LEU HB3 . . 3.680 2.116 1.809 2.543 . 0 0 "[ . 1 . 2]" 2
844 1 24 VAL MG1 1 25 HIS H . . 4.640 3.810 3.564 3.980 . 0 0 "[ . 1 . 2]" 2
845 1 24 VAL MG1 1 74 MET H . . 4.350 4.115 3.635 4.331 . 0 0 "[ . 1 . 2]" 2
846 1 24 VAL MG1 1 74 MET HA . . 4.090 3.205 2.741 3.597 . 0 0 "[ . 1 . 2]" 2
847 1 24 VAL HA 1 24 VAL MG1 . . 3.520 3.195 3.182 3.204 . 0 0 "[ . 1 . 2]" 2
848 1 24 VAL MG1 1 74 MET HG3 . . 3.690 2.321 1.975 3.014 . 0 0 "[ . 1 . 2]" 2
849 1 24 VAL MG1 1 74 MET HG2 . . 3.690 1.930 1.806 2.021 . 0 0 "[ . 1 . 2]" 2
850 1 24 VAL MG1 1 72 LEU HB3 . . 3.910 3.447 2.954 3.617 . 0 0 "[ . 1 . 2]" 2
851 1 37 THR MG 1 66 PHE QD . . 3.740 2.793 2.040 3.146 . 0 0 "[ . 1 . 2]" 2
852 1 37 THR MG 1 66 PHE QE . . 3.830 2.847 2.320 3.244 . 0 0 "[ . 1 . 2]" 2
853 1 37 THR MG 1 44 TYR QD . . 4.610 3.751 3.164 4.346 . 0 0 "[ . 1 . 2]" 2
854 1 37 THR MG 1 44 TYR QE . . 3.340 2.462 1.921 2.894 . 0 0 "[ . 1 . 2]" 2
855 1 37 THR MG 1 42 LEU HG . . 4.610 3.965 3.521 4.508 . 0 0 "[ . 1 . 2]" 2
856 1 37 THR MG 1 42 LEU HB2 . . 3.550 2.283 1.961 2.685 . 0 0 "[ . 1 . 2]" 2
857 1 37 THR MG 1 42 LEU HB3 . . 4.220 3.727 3.385 4.056 . 0 0 "[ . 1 . 2]" 2
858 1 17 ALA HA 1 27 CYS QB . . 4.400 2.666 1.996 2.987 . 0 0 "[ . 1 . 2]" 2
859 1 10 CYS HB2 1 17 ALA HA . . 4.420 2.929 2.737 3.167 . 0 0 "[ . 1 . 2]" 2
860 1 22 TYR QD 1 78 ALA MB . . 4.130 3.268 2.481 4.135 0.005 19 0 "[ . 1 . 2]" 2
861 1 22 TYR HB3 1 78 ALA MB . . 4.870 4.537 3.968 4.875 0.005 15 0 "[ . 1 . 2]" 2
862 1 78 ALA MB 1 80 ARG H . . 4.940 4.749 4.405 4.944 0.004 18 0 "[ . 1 . 2]" 2
863 1 10 CYS H 1 17 ALA MB . . 4.050 2.943 2.433 3.592 . 0 0 "[ . 1 . 2]" 2
864 1 17 ALA MB 1 18 SER H . . 4.270 3.017 2.146 3.631 . 0 0 "[ . 1 . 2]" 2
865 1 11 ARG H 1 17 ALA MB . . 4.550 4.203 3.672 4.527 . 0 0 "[ . 1 . 2]" 2
866 1 17 ALA MB 1 25 HIS HD2 . . 4.510 2.863 2.316 3.835 . 0 0 "[ . 1 . 2]" 2
867 1 17 ALA MB 1 18 SER HA . . 4.790 4.377 3.943 4.714 . 0 0 "[ . 1 . 2]" 2
868 1 17 ALA MB 1 25 HIS HA . . 5.020 3.616 3.367 3.907 . 0 0 "[ . 1 . 2]" 2
869 1 9 GLU HA 1 17 ALA MB . . 3.930 2.858 2.413 3.558 . 0 0 "[ . 1 . 2]" 2
870 1 16 LYS HA 1 17 ALA MB . . 4.100 3.940 3.861 4.003 . 0 0 "[ . 1 . 2]" 2
871 1 10 CYS HA 1 17 ALA MB . . 3.600 2.530 2.205 2.911 . 0 0 "[ . 1 . 2]" 2
872 1 17 ALA MB 1 25 HIS HB2 . . 4.460 4.058 3.619 4.315 . 0 0 "[ . 1 . 2]" 2
873 1 17 ALA MB 1 25 HIS HB3 . . 3.570 2.652 2.385 2.873 . 0 0 "[ . 1 . 2]" 2
874 1 10 CYS HB2 1 17 ALA MB . . 4.470 3.408 2.794 3.801 . 0 0 "[ . 1 . 2]" 2
875 1 8 MET QG 1 17 ALA MB . . 4.420 3.364 1.879 4.295 . 0 0 "[ . 1 . 2]" 2
876 1 8 MET QB 1 17 ALA MB . . 3.660 2.608 1.961 3.586 . 0 0 "[ . 1 . 2]" 2
877 1 84 GLY QA 1 85 PRO HD3 . . 3.370 2.427 2.238 2.701 . 0 0 "[ . 1 . 2]" 2
878 1 71 ALA H 1 71 ALA MB . . 2.870 2.114 2.031 2.233 . 0 0 "[ . 1 . 2]" 2
879 1 68 LYS HA 1 71 ALA MB . . 3.090 2.707 2.391 2.935 . 0 0 "[ . 1 . 2]" 2
880 1 71 ALA MB 1 72 LEU MD2 . . 4.170 3.963 3.580 4.170 . 0 0 "[ . 1 . 2]" 2
881 1 71 ALA MB 1 72 LEU MD1 . . 4.970 4.654 4.318 4.838 . 0 0 "[ . 1 . 2]" 2
882 1 53 ILE MG 1 58 ARG HA . . 3.590 2.465 2.014 3.024 . 0 0 "[ . 1 . 2]" 2
883 1 13 CYS HB2 1 53 ILE MG . . 3.840 3.503 2.818 3.822 . 0 0 "[ . 1 . 2]" 2
884 1 53 ILE MG 1 65 ARG QB . . 4.060 3.858 3.521 4.057 . 0 0 "[ . 1 . 2]" 2
885 1 53 ILE MG 1 54 GLN H . . 4.080 3.064 2.680 3.436 . 0 0 "[ . 1 . 2]" 2
886 1 53 ILE HA 1 53 ILE MG . . 3.350 2.312 2.194 2.439 . 0 0 "[ . 1 . 2]" 2
887 1 53 ILE MG 1 65 ARG HA . . 4.310 3.469 3.128 3.787 . 0 0 "[ . 1 . 2]" 2
888 1 53 ILE MG 1 68 LYS QD . . 4.470 3.272 2.813 3.935 . 0 0 "[ . 1 . 2]" 2
889 1 79 ILE MG 1 80 ARG HA . . 4.530 3.808 3.231 4.399 . 0 0 "[ . 1 . 2]" 2
890 1 35 ARG HA 1 79 ILE MG . . 4.620 4.128 3.592 4.624 0.004 20 0 "[ . 1 . 2]" 2
891 1 38 ILE MG 1 66 PHE QE . . 5.070 4.936 4.737 5.064 . 0 0 "[ . 1 . 2]" 2
892 1 38 ILE MG 1 66 PHE HZ . . 5.110 4.929 4.657 5.108 . 0 0 "[ . 1 . 2]" 2
893 1 38 ILE MG 1 76 HIS HD2 . . 4.720 4.120 2.359 4.713 . 0 0 "[ . 1 . 2]" 2
894 1 34 PHE QE 1 38 ILE MG . . 4.800 4.602 4.047 4.787 . 0 0 "[ . 1 . 2]" 2
895 1 38 ILE MG 1 76 HIS HB2 . . 4.450 2.878 2.096 4.241 . 0 0 "[ . 1 . 2]" 2
896 1 38 ILE MG 1 76 HIS HB3 . . 4.450 3.536 2.228 4.448 . 0 0 "[ . 1 . 2]" 2
897 1 38 ILE MG 1 39 ARG HB3 . . 4.700 4.222 3.887 4.521 . 0 0 "[ . 1 . 2]" 2
898 1 37 THR MG 1 38 ILE MG . . 5.290 5.045 4.885 5.200 . 0 0 "[ . 1 . 2]" 2
899 1 40 MET HA 1 40 MET ME . . 3.910 3.550 3.203 4.070 0.160 19 0 "[ . 1 . 2]" 2
900 1 36 ARG QD 1 40 MET ME . . 4.480 4.267 3.380 4.521 0.041 15 0 "[ . 1 . 2]" 2
901 1 40 MET ME 1 42 LEU MD1 . . 3.950 3.305 1.806 3.914 . 0 0 "[ . 1 . 2]" 2
902 1 40 MET ME 1 42 LEU MD2 . . 3.560 2.808 1.767 3.559 . 0 0 "[ . 1 . 2]" 2
903 1 8 MET HA 1 8 MET ME . . 4.420 3.435 1.892 4.400 . 0 0 "[ . 1 . 2]" 2
904 1 34 PHE H 1 74 MET ME . . 4.910 4.838 4.570 4.926 0.016 15 0 "[ . 1 . 2]" 2
905 1 26 ALA H 1 74 MET ME . . 5.170 4.553 4.080 4.985 . 0 0 "[ . 1 . 2]" 2
906 1 31 LYS H 1 74 MET ME . . 5.460 4.519 4.323 4.727 . 0 0 "[ . 1 . 2]" 2
907 1 24 VAL H 1 74 MET ME . . 4.770 4.344 3.755 4.701 . 0 0 "[ . 1 . 2]" 2
908 1 22 TYR QD 1 74 MET ME . . 3.270 2.373 1.871 2.859 . 0 0 "[ . 1 . 2]" 2
909 1 34 PHE QD 1 74 MET ME . . 3.930 3.645 3.321 3.887 . 0 0 "[ . 1 . 2]" 2
910 1 74 MET HA 1 74 MET ME . . 4.460 4.093 3.704 4.353 . 0 0 "[ . 1 . 2]" 2
911 1 31 LYS HA 1 74 MET ME . . 3.440 3.065 2.680 3.355 . 0 0 "[ . 1 . 2]" 2
912 1 69 CYS HA 1 74 MET ME . . 4.390 4.059 3.603 4.377 . 0 0 "[ . 1 . 2]" 2
913 1 34 PHE HB2 1 74 MET ME . . 3.690 3.443 3.138 3.655 . 0 0 "[ . 1 . 2]" 2
914 1 22 TYR HB3 1 74 MET ME . . 4.020 3.659 3.305 4.007 . 0 0 "[ . 1 . 2]" 2
915 1 34 PHE HB3 1 74 MET ME . . 3.690 3.456 3.180 3.689 . 0 0 "[ . 1 . 2]" 2
916 1 22 TYR HB2 1 74 MET ME . . 3.150 2.469 2.039 2.990 . 0 0 "[ . 1 . 2]" 2
917 1 21 HIS HB2 1 74 MET ME . . 3.900 3.664 3.176 3.904 0.004 15 0 "[ . 1 . 2]" 2
918 1 24 VAL MG1 1 74 MET ME . . 3.140 1.970 1.740 2.179 . 0 0 "[ . 1 . 2]" 2
919 1 74 MET HB3 1 74 MET ME . . 3.970 3.669 2.893 3.954 . 0 0 "[ . 1 . 2]" 2
920 1 19 GLY QA 1 21 HIS HE1 . . 4.290 4.010 3.594 4.298 0.008 20 0 "[ . 1 . 2]" 2
921 1 20 PHE QD 1 25 HIS HE1 . . 4.850 3.698 2.553 4.309 . 0 0 "[ . 1 . 2]" 2
922 1 44 TYR HB3 1 63 TYR QD . . 4.260 3.124 2.162 3.966 . 0 0 "[ . 1 . 2]" 2
923 1 22 TYR QD 1 34 PHE QD . . 4.160 3.823 3.332 4.056 . 0 0 "[ . 1 . 2]" 2
924 1 44 TYR QD 1 66 PHE HB3 . . 4.640 3.369 2.594 3.962 . 0 0 "[ . 1 . 2]" 2
925 1 34 PHE QD 1 66 PHE QE . . 4.370 3.097 2.114 3.898 . 0 0 "[ . 1 . 2]" 2
926 1 34 PHE QE 1 66 PHE QE . . 4.450 3.143 2.585 3.690 . 0 0 "[ . 1 . 2]" 2
927 1 34 PHE QD 1 66 PHE QD . . 4.550 2.987 2.390 3.750 . 0 0 "[ . 1 . 2]" 2
928 1 44 TYR QE 1 66 PHE QD . . 4.880 4.001 2.875 4.752 . 0 0 "[ . 1 . 2]" 2
929 1 66 PHE HZ 1 70 LEU MD1 . . 4.850 3.743 3.041 4.419 . 0 0 "[ . 1 . 2]" 2
930 1 37 THR MG 1 66 PHE HZ . . 4.760 3.547 2.917 3.931 . 0 0 "[ . 1 . 2]" 2
931 1 18 SER H 1 27 CYS HA . . 3.790 2.067 1.899 2.330 . 0 0 "[ . 1 . 2]" 2
932 1 17 ALA MB 1 27 CYS HA . . 4.400 3.889 3.137 4.202 . 0 0 "[ . 1 . 2]" 2
933 1 17 ALA HA 1 27 CYS HA . . 3.380 2.835 2.419 3.095 . 0 0 "[ . 1 . 2]" 2
934 1 46 LYS QD 1 63 TYR QE . . 5.500 4.215 2.279 5.209 . 0 0 "[ . 1 . 2]" 2
935 1 22 TYR QE 1 34 PHE HB3 . . 5.000 4.180 3.582 4.613 . 0 0 "[ . 1 . 2]" 2
936 1 22 TYR QE 1 74 MET ME . . 4.850 3.343 2.628 4.051 . 0 0 "[ . 1 . 2]" 2
937 1 22 TYR QE 1 31 LYS QG . . 4.030 2.049 1.787 2.388 . 0 0 "[ . 1 . 2]" 2
938 1 33 PHE HZ 1 44 TYR QE . . 4.420 3.131 2.640 3.893 . 0 0 "[ . 1 . 2]" 2
939 1 33 PHE QE 1 44 TYR QE . . 4.610 3.670 2.526 4.301 . 0 0 "[ . 1 . 2]" 2
940 1 44 TYR QE 1 66 PHE HB2 . . 4.230 2.901 2.279 3.635 . 0 0 "[ . 1 . 2]" 2
941 1 42 LEU HB3 1 44 TYR QE . . 4.240 3.662 3.008 4.239 . 0 0 "[ . 1 . 2]" 2
942 1 22 TYR QE 1 35 ARG HB2 . . 4.450 3.811 3.536 3.991 . 0 0 "[ . 1 . 2]" 2
943 1 10 CYS HB2 1 26 ALA HA . . 4.520 3.512 3.100 3.753 . 0 0 "[ . 1 . 2]" 2
944 1 17 ALA MB 1 26 ALA HA . . 4.330 3.710 3.226 4.099 . 0 0 "[ . 1 . 2]" 2
945 1 12 VAL MG1 1 68 LYS QD . . 3.510 2.658 1.937 3.292 . 0 0 "[ . 1 . 2]" 2
946 1 12 VAL MG2 1 72 LEU MD1 . . 3.080 1.902 1.755 2.181 . 0 0 "[ . 1 . 2]" 2
947 1 12 VAL MG2 1 26 ALA MB . . 3.710 2.620 2.186 2.981 . 0 0 "[ . 1 . 2]" 2
948 1 13 CYS HA 1 53 ILE MG . . 3.440 2.234 1.820 2.789 . 0 0 "[ . 1 . 2]" 2
949 1 15 ASP HA 1 55 LYS QD . . 4.050 3.510 2.334 4.049 . 0 0 "[ . 1 . 2]" 2
950 1 21 HIS HA 1 22 TYR H . . 3.440 2.231 2.140 2.334 . 0 0 "[ . 1 . 2]" 2
951 1 25 HIS HA 1 26 ALA H . . 3.180 2.227 2.177 2.290 . 0 0 "[ . 1 . 2]" 2
952 1 25 HIS HA 1 25 HIS HD2 . . 4.160 3.288 2.827 3.807 . 0 0 "[ . 1 . 2]" 2
953 1 20 PHE QD 1 25 HIS HA . . 4.520 2.656 2.039 4.490 . 0 0 "[ . 1 . 2]" 2
954 1 24 VAL MG2 1 26 ALA MB . . 3.850 3.450 2.879 3.850 . 4 0 "[ . 1 . 2]" 2
955 1 24 VAL MG1 1 26 ALA MB . . 3.740 2.455 2.223 2.754 . 0 0 "[ . 1 . 2]" 2
956 1 38 ILE HG13 1 38 ILE MG . . 3.610 2.377 2.252 2.522 . 0 0 "[ . 1 . 2]" 2
957 1 38 ILE HG12 1 38 ILE MG . . 3.610 3.188 3.176 3.201 . 0 0 "[ . 1 . 2]" 2
958 1 38 ILE MD 1 38 ILE MG . . 2.920 1.980 1.875 2.100 . 0 0 "[ . 1 . 2]" 2
959 1 42 LEU HB2 1 42 LEU MD1 . . 3.490 2.200 2.041 2.309 . 0 0 "[ . 1 . 2]" 2
960 1 44 TYR HA 1 44 TYR QD . . 3.080 2.372 1.993 2.799 . 0 0 "[ . 1 . 2]" 2
961 1 48 GLU HA 1 48 GLU HG2 . . 3.870 2.779 2.336 3.578 . 0 0 "[ . 1 . 2]" 2
962 1 53 ILE HG12 1 53 ILE MG . . 3.590 3.162 2.651 3.203 . 0 0 "[ . 1 . 2]" 2
963 1 53 ILE HG13 1 53 ILE MG . . 3.590 2.454 2.306 3.130 . 0 0 "[ . 1 . 2]" 2
964 1 12 VAL MG1 1 53 ILE MG . . 3.270 2.568 2.177 2.977 . 0 0 "[ . 1 . 2]" 2
965 1 54 GLN HA 1 54 GLN HG2 . . 4.250 3.032 2.261 3.826 . 0 0 "[ . 1 . 2]" 2
966 1 66 PHE HA 1 69 CYS HG . . 4.110 3.252 2.342 3.833 . 0 0 "[ . 1 . 2]" 2
967 1 66 PHE HA 1 69 CYS HB2 . . 4.230 3.086 2.719 3.328 . 0 0 "[ . 1 . 2]" 2
968 1 33 PHE QE 1 66 PHE HA . . 3.650 2.207 2.059 2.364 . 0 0 "[ . 1 . 2]" 2
969 1 66 PHE HA 1 66 PHE QD . . 3.460 2.468 2.077 3.125 . 0 0 "[ . 1 . 2]" 2
970 1 68 LYS HA 1 68 LYS HG2 . . 3.920 3.377 3.216 3.610 . 0 0 "[ . 1 . 2]" 2
971 1 68 LYS HA 1 68 LYS QD . . 4.150 3.809 3.634 4.202 0.052 9 0 "[ . 1 . 2]" 2
972 1 70 LEU HB3 1 70 LEU MD1 . . 3.100 2.478 2.342 2.603 . 0 0 "[ . 1 . 2]" 2
973 1 70 LEU HB3 1 70 LEU MD2 . . 3.400 2.267 2.118 2.361 . 0 0 "[ . 1 . 2]" 2
974 1 72 LEU HB3 1 72 LEU MD2 . . 3.140 2.265 2.125 2.344 . 0 0 "[ . 1 . 2]" 2
975 1 24 VAL MG2 1 74 MET ME . . 3.580 3.518 3.324 3.602 0.022 15 0 "[ . 1 . 2]" 2
976 1 12 VAL MG2 1 74 MET ME . . 3.040 2.760 2.443 3.038 . 0 0 "[ . 1 . 2]" 2
977 1 26 ALA MB 1 74 MET ME . . 2.840 2.253 2.011 2.513 . 0 0 "[ . 1 . 2]" 2
978 1 74 MET ME 1 74 MET HG2 . . 3.020 2.204 2.069 2.538 . 0 0 "[ . 1 . 2]" 2
979 1 74 MET ME 1 74 MET HG3 . . 3.340 2.822 2.355 3.233 . 0 0 "[ . 1 . 2]" 2
980 1 76 HIS HA 1 79 ILE MD . . 4.290 2.968 1.898 4.288 . 0 0 "[ . 1 . 2]" 2
981 1 34 PHE QE 1 76 HIS HA . . 3.930 2.983 2.009 3.778 . 0 0 "[ . 1 . 2]" 2
982 1 34 PHE HZ 1 76 HIS HA . . 4.780 3.373 2.547 4.328 . 0 0 "[ . 1 . 2]" 2
983 1 22 TYR QE 1 76 HIS HA . . 5.230 4.168 3.669 4.980 . 0 0 "[ . 1 . 2]" 2
984 1 22 TYR QD 1 76 HIS HA . . 4.280 4.071 3.185 4.283 0.003 20 0 "[ . 1 . 2]" 2
985 1 79 ILE HG13 1 79 ILE MG . . 3.710 2.755 2.237 3.192 . 0 0 "[ . 1 . 2]" 2
986 1 81 PHE HA 1 81 PHE QD . . 3.860 2.967 2.203 3.725 . 0 0 "[ . 1 . 2]" 2
987 1 20 PHE QE 1 25 HIS HE1 . . 5.190 3.758 3.044 4.812 . 0 0 "[ . 1 . 2]" 2
988 1 7 GLY QA 1 8 MET ME . . 4.460 3.661 2.740 4.475 0.015 15 0 "[ . 1 . 2]" 2
989 1 10 CYS HA 1 11 ARG QG . . 4.830 3.617 3.332 4.036 . 0 0 "[ . 1 . 2]" 2
990 1 11 ARG H 1 11 ARG QG . . 3.250 2.422 1.939 2.831 . 0 0 "[ . 1 . 2]" 2
991 1 11 ARG H 1 11 ARG QD . . 4.380 4.050 3.682 4.381 0.001 4 0 "[ . 1 . 2]" 2
992 1 11 ARG HA 1 11 ARG QD . . 3.430 2.555 2.091 3.523 0.093 17 0 "[ . 1 . 2]" 2
993 1 11 ARG QG 1 12 VAL H . . 4.890 4.275 3.976 4.544 . 0 0 "[ . 1 . 2]" 2
994 1 11 ARG QG 1 24 VAL MG2 . . 3.610 2.513 1.968 3.045 . 0 0 "[ . 1 . 2]" 2
995 1 11 ARG QG 1 72 LEU MD1 . . 4.170 3.845 3.570 4.051 . 0 0 "[ . 1 . 2]" 2
996 1 11 ARG QD 1 24 VAL MG2 . . 4.480 3.982 2.158 4.467 . 0 0 "[ . 1 . 2]" 2
997 1 12 VAL H 1 68 LYS QE . . 5.340 4.433 3.837 5.347 0.007 9 0 "[ . 1 . 2]" 2
998 1 12 VAL HA 1 68 LYS QG . . 3.840 2.727 2.447 3.011 . 0 0 "[ . 1 . 2]" 2
999 1 12 VAL HA 1 68 LYS QE . . 3.450 2.413 1.981 3.125 . 0 0 "[ . 1 . 2]" 2
1000 1 12 VAL MG1 1 68 LYS QE . . 4.420 3.729 3.404 4.075 . 0 0 "[ . 1 . 2]" 2
1001 1 12 VAL MG2 1 68 LYS QG . . 4.970 3.156 2.613 3.765 . 0 0 "[ . 1 . 2]" 2
1002 1 13 CYS HB2 1 58 ARG QB . . 4.960 3.363 2.145 4.889 . 0 0 "[ . 1 . 2]" 2
1003 1 13 CYS HB2 1 58 ARG QD . . 4.100 2.774 1.940 3.619 . 0 0 "[ . 1 . 2]" 2
1004 1 13 CYS HB3 1 58 ARG QB . . 4.590 3.493 2.620 4.601 0.011 17 0 "[ . 1 . 2]" 2
1005 1 13 CYS HB3 1 58 ARG QD . . 3.990 3.031 1.972 3.761 . 0 0 "[ . 1 . 2]" 2
1006 1 16 LYS H 1 16 LYS QG . . 3.850 3.378 2.268 3.906 0.056 16 0 "[ . 1 . 2]" 2
1007 1 16 LYS QG 1 17 ALA H . . 4.020 3.054 2.268 3.889 . 0 0 "[ . 1 . 2]" 2
1008 1 18 SER QB 1 28 GLU H . . 4.300 2.636 2.151 3.080 . 0 0 "[ . 1 . 2]" 2
1009 1 18 SER QB 1 28 GLU QB . . 4.770 3.615 2.940 4.376 . 0 0 "[ . 1 . 2]" 2
1010 1 18 SER QB 1 28 GLU QG . . 3.490 2.669 2.066 3.489 . 0 0 "[ . 1 . 2]" 2
1011 1 20 PHE QB 1 25 HIS HE1 . . 5.000 4.638 3.571 5.000 0.000 13 0 "[ . 1 . 2]" 2
1012 1 21 HIS HE1 1 31 LYS QD . . 4.870 4.259 3.361 4.868 . 0 0 "[ . 1 . 2]" 2
1013 1 21 HIS HE1 1 31 LYS QE . . 5.220 3.753 2.930 5.018 . 0 0 "[ . 1 . 2]" 2
1014 1 22 TYR QE 1 31 LYS QE . . 4.530 3.869 2.129 4.514 . 0 0 "[ . 1 . 2]" 2
1015 1 28 GLU H 1 28 GLU QG . . 3.360 2.361 1.904 2.763 . 0 0 "[ . 1 . 2]" 2
1016 1 28 GLU HA 1 31 LYS QB . . 3.310 2.533 2.264 2.835 . 0 0 "[ . 1 . 2]" 2
1017 1 28 GLU HA 1 31 LYS QD . . 4.410 3.198 2.554 4.157 . 0 0 "[ . 1 . 2]" 2
1018 1 30 CYS H 1 31 LYS QB . . 5.090 4.490 3.987 4.650 . 0 0 "[ . 1 . 2]" 2
1019 1 31 LYS HA 1 31 LYS QD . . 4.800 4.029 3.447 4.294 . 0 0 "[ . 1 . 2]" 2
1020 1 31 LYS HA 1 31 LYS QE . . 5.340 4.629 4.004 5.169 . 0 0 "[ . 1 . 2]" 2
1021 1 31 LYS QB 1 31 LYS QE . . 3.920 2.894 1.995 3.638 . 0 0 "[ . 1 . 2]" 2
1022 1 31 LYS QB 1 32 GLY H . . 3.290 2.286 1.986 2.731 . 0 0 "[ . 1 . 2]" 2
1023 1 31 LYS QB 1 32 GLY HA2 . . 5.140 4.108 3.706 4.504 . 0 0 "[ . 1 . 2]" 2
1024 1 33 PHE HA 1 36 ARG QB . . 3.830 2.729 2.534 2.942 . 0 0 "[ . 1 . 2]" 2
1025 1 33 PHE HA 1 36 ARG QG . . 4.650 4.333 4.083 4.550 . 0 0 "[ . 1 . 2]" 2
1026 1 33 PHE QE 1 62 GLN QB . . 4.530 3.937 2.559 4.532 0.002 19 0 "[ . 1 . 2]" 2
1027 1 33 PHE QE 1 62 GLN QG . . 4.090 3.229 2.435 4.088 . 0 0 "[ . 1 . 2]" 2
1028 1 33 PHE QE 1 65 ARG QG . . 4.970 2.671 2.254 3.562 . 0 0 "[ . 1 . 2]" 2
1029 1 33 PHE HZ 1 62 GLN QB . . 4.870 3.804 3.068 4.444 . 0 0 "[ . 1 . 2]" 2
1030 1 34 PHE QE 1 38 ILE QG . . 4.670 3.185 2.568 3.408 . 0 0 "[ . 1 . 2]" 2
1031 1 34 PHE HZ 1 38 ILE QG . . 4.650 3.684 3.201 4.236 . 0 0 "[ . 1 . 2]" 2
1032 1 35 ARG H 1 35 ARG QG . . 4.280 3.946 3.742 4.059 . 0 0 "[ . 1 . 2]" 2
1033 1 35 ARG HA 1 35 ARG QG . . 3.310 2.445 2.295 3.030 . 0 0 "[ . 1 . 2]" 2
1034 1 35 ARG HA 1 38 ILE QG . . 3.890 2.875 2.553 3.170 . 0 0 "[ . 1 . 2]" 2
1035 1 35 ARG QG 1 36 ARG H . . 4.670 3.393 2.891 4.089 . 0 0 "[ . 1 . 2]" 2
1036 1 35 ARG QG 1 79 ILE MG . . 4.570 2.676 1.917 3.848 . 0 0 "[ . 1 . 2]" 2
1037 1 36 ARG H 1 36 ARG QG . . 4.260 3.972 3.898 3.990 . 0 0 "[ . 1 . 2]" 2
1038 1 36 ARG HA 1 36 ARG QG . . 3.380 2.490 2.419 2.627 . 0 0 "[ . 1 . 2]" 2
1039 1 36 ARG HA 1 40 MET QG . . 4.100 3.038 2.849 3.926 . 0 0 "[ . 1 . 2]" 2
1040 1 36 ARG QB 1 37 THR H . . 3.310 2.422 2.212 2.614 . 0 0 "[ . 1 . 2]" 2
1041 1 36 ARG QG 1 40 MET QG . . 4.000 2.370 2.014 2.972 . 0 0 "[ . 1 . 2]" 2
1042 1 36 ARG QG 1 42 LEU MD1 . . 3.720 2.510 1.905 2.810 . 0 0 "[ . 1 . 2]" 2
1043 1 36 ARG QD 1 40 MET QG . . 4.800 4.053 3.601 4.507 . 0 0 "[ . 1 . 2]" 2
1044 1 38 ILE H 1 38 ILE QG . . 3.050 2.193 1.992 2.401 . 0 0 "[ . 1 . 2]" 2
1045 1 38 ILE HA 1 38 ILE QG . . 3.580 2.920 2.829 3.073 . 0 0 "[ . 1 . 2]" 2
1046 1 38 ILE QG 1 38 ILE MG . . 2.980 2.314 2.208 2.432 . 0 0 "[ . 1 . 2]" 2
1047 1 38 ILE MG 1 76 HIS QB . . 3.870 2.592 1.961 3.102 . 0 0 "[ . 1 . 2]" 2
1048 1 38 ILE QG 1 76 HIS HA . . 4.430 3.522 3.023 3.902 . 0 0 "[ . 1 . 2]" 2
1049 1 39 ARG H 1 39 ARG QG . . 3.850 2.268 1.971 2.797 . 0 0 "[ . 1 . 2]" 2
1050 1 39 ARG HA 1 39 ARG QG . . 3.450 3.345 3.287 3.421 . 0 0 "[ . 1 . 2]" 2
1051 1 39 ARG HA 1 39 ARG QD . . 4.420 4.256 3.739 4.490 0.070 14 0 "[ . 1 . 2]" 2
1052 1 39 ARG QG 1 40 MET H . . 4.640 2.213 1.883 2.461 . 0 0 "[ . 1 . 2]" 2
1053 1 39 ARG QG 1 41 LYS H . . 5.340 4.167 3.941 4.481 . 0 0 "[ . 1 . 2]" 2
1054 1 40 MET H 1 40 MET QG . . 3.140 2.619 2.458 2.791 . 0 0 "[ . 1 . 2]" 2
1055 1 40 MET HA 1 40 MET QG . . 3.320 2.363 2.273 2.574 . 0 0 "[ . 1 . 2]" 2
1056 1 40 MET QG 1 41 LYS H . . 4.670 4.258 4.104 4.461 . 0 0 "[ . 1 . 2]" 2
1057 1 41 LYS H 1 41 LYS QB . . 3.700 3.197 2.889 3.367 . 0 0 "[ . 1 . 2]" 2
1058 1 43 GLU H 1 43 GLU QB . . 3.170 2.548 2.304 3.064 . 0 0 "[ . 1 . 2]" 2
1059 1 43 GLU H 1 43 GLU QG . . 4.060 3.476 2.014 4.066 0.006 4 0 "[ . 1 . 2]" 2
1060 1 43 GLU HA 1 43 GLU QG . . 3.520 2.686 2.259 3.379 . 0 0 "[ . 1 . 2]" 2
1061 1 43 GLU QB 1 44 TYR H . . 3.780 2.978 2.323 3.655 . 0 0 "[ . 1 . 2]" 2
1062 1 44 TYR HB3 1 62 GLN QB . . 4.750 3.418 2.759 4.000 . 0 0 "[ . 1 . 2]" 2
1063 1 44 TYR QD 1 62 GLN QB . . 4.230 3.019 2.619 3.342 . 0 0 "[ . 1 . 2]" 2
1064 1 45 GLU H 1 45 GLU QB . . 2.990 2.333 2.169 2.630 . 0 0 "[ . 1 . 2]" 2
1065 1 45 GLU HA 1 46 LYS QB . . 4.340 4.114 4.073 4.157 . 0 0 "[ . 1 . 2]" 2
1066 1 46 LYS H 1 46 LYS QB . . 2.880 2.226 2.153 2.275 . 0 0 "[ . 1 . 2]" 2
1067 1 46 LYS QB 1 47 CYS H . . 4.110 3.786 3.473 3.946 . 0 0 "[ . 1 . 2]" 2
1068 1 46 LYS QB 1 63 TYR QE . . 4.770 3.865 3.469 4.222 . 0 0 "[ . 1 . 2]" 2
1069 1 46 LYS QD 1 48 GLU QG . . 4.450 3.563 2.033 4.437 . 0 0 "[ . 1 . 2]" 2
1070 1 48 GLU HA 1 48 GLU QG . . 3.350 2.498 2.229 2.888 . 0 0 "[ . 1 . 2]" 2
1071 1 48 GLU QB 1 49 ARG H . . 4.020 2.626 2.395 2.817 . 0 0 "[ . 1 . 2]" 2
1072 1 49 ARG H 1 49 ARG QG . . 3.820 2.453 1.907 3.279 . 0 0 "[ . 1 . 2]" 2
1073 1 49 ARG HA 1 49 ARG QG . . 3.220 2.331 2.152 2.684 . 0 0 "[ . 1 . 2]" 2
1074 1 49 ARG HB3 1 49 ARG QD . . 3.660 2.530 2.051 3.504 . 0 0 "[ . 1 . 2]" 2
1075 1 50 SER H 1 50 SER QB . . 3.680 3.123 2.952 3.323 . 0 0 "[ . 1 . 2]" 2
1076 1 50 SER QB 1 51 CYS H . . 4.480 3.908 3.860 4.065 . 0 0 "[ . 1 . 2]" 2
1077 1 51 CYS HA 1 52 LYS QB . . 4.560 4.174 3.945 4.465 . 0 0 "[ . 1 . 2]" 2
1078 1 51 CYS HB3 1 61 CYS QB . . 4.460 3.210 2.935 3.723 . 0 0 "[ . 1 . 2]" 2
1079 1 52 LYS H 1 52 LYS QB . . 3.360 2.393 2.237 2.856 . 0 0 "[ . 1 . 2]" 2
1080 1 52 LYS H 1 52 LYS QG . . 4.110 3.298 1.938 4.115 0.005 1 0 "[ . 1 . 2]" 2
1081 1 52 LYS HA 1 52 LYS QG . . 3.600 2.459 2.153 3.343 . 0 0 "[ . 1 . 2]" 2
1082 1 52 LYS QB 1 52 LYS QG . . 2.360 2.055 2.009 2.087 . 0 0 "[ . 1 . 2]" 2
1083 1 53 ILE H 1 53 ILE QG . . 4.650 1.981 1.888 2.260 . 0 0 "[ . 1 . 2]" 2
1084 1 53 ILE HB 1 68 LYS QE . . 5.040 3.554 2.856 4.658 . 0 0 "[ . 1 . 2]" 2
1085 1 53 ILE QG 1 53 ILE MG . . 3.110 2.357 2.256 2.516 . 0 0 "[ . 1 . 2]" 2
1086 1 53 ILE MG 1 58 ARG QB . . 4.090 3.099 2.119 3.998 . 0 0 "[ . 1 . 2]" 2
1087 1 53 ILE MG 1 58 ARG QD . . 4.600 4.268 3.576 4.575 . 0 0 "[ . 1 . 2]" 2
1088 1 53 ILE QG 1 65 ARG HA . . 3.480 2.235 1.988 3.415 . 0 0 "[ . 1 . 2]" 2
1089 1 53 ILE QG 1 68 LYS QD . . 4.370 2.614 2.143 3.635 . 0 0 "[ . 1 . 2]" 2
1090 1 53 ILE MD 1 61 CYS QB . . 3.920 2.967 2.610 3.239 . 0 0 "[ . 1 . 2]" 2
1091 1 53 ILE MD 1 65 ARG QD . . 3.970 2.957 1.873 3.914 . 0 0 "[ . 1 . 2]" 2
1092 1 54 GLN H 1 54 GLN QG . . 4.850 3.430 1.918 4.288 . 0 0 "[ . 1 . 2]" 2
1093 1 54 GLN HA 1 54 GLN QG . . 3.640 2.584 2.203 3.339 . 0 0 "[ . 1 . 2]" 2
1094 1 54 GLN QB 1 55 LYS H . . 3.620 2.822 2.014 3.598 . 0 0 "[ . 1 . 2]" 2
1095 1 55 LYS HA 1 58 ARG QG . . 4.900 3.624 2.141 4.659 . 0 0 "[ . 1 . 2]" 2
1096 1 55 LYS HA 1 58 ARG QD . . 3.990 3.477 2.249 3.999 0.009 20 0 "[ . 1 . 2]" 2
1097 1 57 ASN QB 1 60 LYS QG . . 4.370 3.256 1.847 4.393 0.023 17 0 "[ . 1 . 2]" 2
1098 1 58 ARG QB 1 58 ARG QD . . 3.320 2.161 2.094 2.314 . 0 0 "[ . 1 . 2]" 2
1099 1 59 ASN H 1 59 ASN QD . . 5.340 3.854 1.982 4.985 . 0 0 "[ . 1 . 2]" 2
1100 1 60 LYS QB 1 61 CYS QB . . 4.680 3.384 3.210 4.596 . 0 0 "[ . 1 . 2]" 2
1101 1 61 CYS QB 1 63 TYR H . . 5.340 4.458 4.012 4.814 . 0 0 "[ . 1 . 2]" 2
1102 1 61 CYS QB 1 64 CYS H . . 4.790 3.450 3.189 3.708 . 0 0 "[ . 1 . 2]" 2
1103 1 62 GLN H 1 62 GLN QG . . 3.960 3.126 2.683 3.708 . 0 0 "[ . 1 . 2]" 2
1104 1 62 GLN HA 1 62 GLN QG . . 3.500 2.368 2.163 2.839 . 0 0 "[ . 1 . 2]" 2
1105 1 62 GLN QB 1 63 TYR H . . 3.700 2.406 2.150 2.677 . 0 0 "[ . 1 . 2]" 2
1106 1 62 GLN QB 1 63 TYR HB2 . . 5.260 4.073 3.898 4.274 . 0 0 "[ . 1 . 2]" 2
1107 1 63 TYR QE 1 67 GLN QG . . 3.670 2.287 1.973 2.605 . 0 0 "[ . 1 . 2]" 2
1108 1 65 ARG HA 1 65 ARG QG . . 3.670 2.419 2.141 2.808 . 0 0 "[ . 1 . 2]" 2
1109 1 65 ARG QG 1 66 PHE H . . 4.760 3.572 3.095 3.951 . 0 0 "[ . 1 . 2]" 2
1110 1 65 ARG QG 1 69 CYS HG . . 4.850 3.568 2.675 3.943 . 0 0 "[ . 1 . 2]" 2
1111 1 67 GLN H 1 67 GLN QG . . 3.440 2.513 2.205 2.767 . 0 0 "[ . 1 . 2]" 2
1112 1 67 GLN H 1 67 GLN QE . . 5.340 4.506 3.434 5.092 . 0 0 "[ . 1 . 2]" 2
1113 1 67 GLN QE 1 70 LEU MD1 . . 3.710 2.886 2.084 3.713 0.003 15 0 "[ . 1 . 2]" 2
1114 1 68 LYS H 1 68 LYS QG . . 4.260 3.961 3.871 3.986 . 0 0 "[ . 1 . 2]" 2
1115 1 68 LYS HA 1 68 LYS QG . . 3.180 2.393 2.253 2.708 . 0 0 "[ . 1 . 2]" 2
1116 1 68 LYS QE 1 68 LYS QG . . 3.090 2.158 2.027 2.360 . 0 0 "[ . 1 . 2]" 2
1117 1 68 LYS QG 1 69 CYS H . . 4.200 3.412 2.673 3.739 . 0 0 "[ . 1 . 2]" 2
1118 1 68 LYS QG 1 69 CYS HA . . 4.840 3.599 2.974 3.960 . 0 0 "[ . 1 . 2]" 2
1119 1 68 LYS QG 1 72 LEU HG . . 4.220 2.764 2.421 3.195 . 0 0 "[ . 1 . 2]" 2
1120 1 68 LYS QG 1 72 LEU MD2 . . 4.550 3.371 2.959 3.815 . 0 0 "[ . 1 . 2]" 2
1121 1 68 LYS QE 1 72 LEU MD1 . . 3.660 3.130 2.719 3.590 . 0 0 "[ . 1 . 2]" 2
1122 1 68 LYS QE 1 72 LEU MD2 . . 4.630 3.261 2.731 3.809 . 0 0 "[ . 1 . 2]" 2
1123 1 74 MET HA 1 75 SER QB . . 4.880 4.234 3.867 4.525 . 0 0 "[ . 1 . 2]" 2
1124 1 75 SER QB 1 78 ALA MB . . 4.230 2.709 1.911 4.181 . 0 0 "[ . 1 . 2]" 2
1125 1 79 ILE H 1 79 ILE QG . . 3.440 2.183 1.908 2.837 . 0 0 "[ . 1 . 2]" 2
1126 1 79 ILE HA 1 79 ILE QG . . 3.540 2.577 2.173 2.981 . 0 0 "[ . 1 . 2]" 2
1127 1 79 ILE QG 1 79 ILE MG . . 3.160 2.191 1.933 2.473 . 0 0 "[ . 1 . 2]" 2
1128 1 84 GLY QA 1 85 PRO QD . . 2.860 1.939 1.839 2.197 . 0 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 7
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 1200.542
_Distance_constraint_stats_list.Viol_max 1.379
_Distance_constraint_stats_list.Viol_rms 0.4011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4288
_Distance_constraint_stats_list.Viol_average_violations_only 0.5087
_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 16 LYS 21.315 1.379 10 20 [****-****+**********]
1 21 HIS 8.681 0.544 15 12 "[ * .* *-* **+* ***]"
1 22 TYR 8.681 0.544 15 12 "[ * .* *-* **+* ***]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 CYS 21.315 1.379 10 20 [****-****+**********]
1 47 CYS 1.979 0.312 9 0 "[ . 1 . 2]"
1 48 GLU 1.979 0.312 9 0 "[ . 1 . 2]"
1 49 ARG 25.251 1.059 15 20 [**************+****-]
1 51 CYS 25.251 1.059 15 20 [**************+****-]
1 52 LYS 2.800 1.163 12 1 "[ . 1 + . 2]"
1 53 ILE 2.800 1.163 12 1 "[ . 1 + . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 HIS H 1 22 TYR H . . 4.000 4.434 4.005 4.544 0.544 15 12 "[ * .* *-* **+* ***]" 3
2 1 16 LYS H 1 27 CYS QB . . 4.000 5.066 4.739 5.379 1.379 10 20 [****-****+**********] 3
3 1 47 CYS H 1 48 GLU H . . 4.000 4.099 4.002 4.312 0.312 9 0 "[ . 1 . 2]" 3
4 1 49 ARG H 1 51 CYS H . . 4.500 4.906 4.684 5.135 0.635 15 5 "[* .* 1 + * -]" 3
5 1 52 LYS HA 1 53 ILE MD . . 4.500 4.638 4.479 5.663 1.163 12 1 "[ . 1 + . 2]" 3
6 1 49 ARG HA 1 51 CYS H . . 4.000 4.857 4.751 5.059 1.059 15 20 [********-*****+*****] 3
7 1 21 HIS H 1 24 VAL H . . 4.000 3.723 3.403 3.977 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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