NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549862 |
2lv2   |
18551 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lv2
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 774
_Distance_constraint_stats_list.Viol_count 422
_Distance_constraint_stats_list.Viol_total 533.248
_Distance_constraint_stats_list.Viol_max 0.312
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0632
_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 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 1.407 0.209 19 0 "[ . 1 . 2]"
1 20 LEU 1.483 0.209 19 0 "[ . 1 . 2]"
1 21 GLY 0.771 0.263 1 0 "[ . 1 . 2]"
1 22 LEU 0.771 0.263 1 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ALA 1.884 0.312 10 0 "[ . 1 . 2]"
1 27 GLU 1.884 0.312 10 0 "[ . 1 . 2]"
1 28 CYS 1.295 0.227 11 0 "[ . 1 . 2]"
1 29 HIS 0.498 0.081 2 0 "[ . 1 . 2]"
1 30 LEU 1.471 0.227 11 0 "[ . 1 . 2]"
1 31 CYS 1.637 0.202 20 0 "[ . 1 . 2]"
1 32 PRO 1.090 0.086 7 0 "[ . 1 . 2]"
1 33 VAL 0.186 0.146 9 0 "[ . 1 . 2]"
1 34 CYS 0.513 0.202 20 0 "[ . 1 . 2]"
1 35 GLY 1.001 0.179 16 0 "[ . 1 . 2]"
1 36 GLU 0.154 0.127 2 0 "[ . 1 . 2]"
1 37 SER 0.449 0.146 10 0 "[ . 1 . 2]"
1 38 PHE 0.446 0.127 2 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.021 0.012 14 0 "[ . 1 . 2]"
1 42 GLY 0.008 0.008 18 0 "[ . 1 . 2]"
1 43 ALA 0.291 0.131 19 0 "[ . 1 . 2]"
1 44 GLN 0.589 0.206 13 0 "[ . 1 . 2]"
1 45 GLU 0.444 0.257 3 0 "[ . 1 . 2]"
1 46 ARG 0.526 0.076 5 0 "[ . 1 . 2]"
1 47 HIS 0.329 0.131 19 0 "[ . 1 . 2]"
1 48 LEU 2.393 0.206 13 0 "[ . 1 . 2]"
1 49 ARG 0.283 0.069 4 0 "[ . 1 . 2]"
1 50 LEU 0.393 0.076 5 0 "[ . 1 . 2]"
1 51 LEU 0.872 0.143 4 0 "[ . 1 . 2]"
1 52 HIS 1.752 0.143 4 0 "[ . 1 . 2]"
1 53 ALA 0.391 0.098 8 0 "[ . 1 . 2]"
1 54 ALA 0.004 0.004 5 0 "[ . 1 . 2]"
1 55 GLN 0.151 0.090 10 0 "[ . 1 . 2]"
1 56 VAL 1.306 0.143 4 0 "[ . 1 . 2]"
1 57 PHE 0.422 0.094 13 0 "[ . 1 . 2]"
1 58 PRO 0.512 0.120 3 0 "[ . 1 . 2]"
1 59 CYS 1.972 0.282 14 0 "[ . 1 . 2]"
1 60 LYS 0.868 0.282 14 0 "[ . 1 . 2]"
1 61 TYR 1.486 0.213 8 0 "[ . 1 . 2]"
1 62 CYS 1.023 0.185 11 0 "[ . 1 . 2]"
1 63 PRO 0.031 0.031 2 0 "[ . 1 . 2]"
1 64 ALA 0.204 0.057 6 0 "[ . 1 . 2]"
1 65 THR 2.118 0.247 19 0 "[ . 1 . 2]"
1 66 PHE 3.128 0.247 19 0 "[ . 1 . 2]"
1 67 TYR 0.408 0.146 9 0 "[ . 1 . 2]"
1 68 SER 0.015 0.015 5 0 "[ . 1 . 2]"
1 69 SER 0.187 0.123 6 0 "[ . 1 . 2]"
1 70 PRO 0.140 0.123 6 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 3.403 0.181 16 0 "[ . 1 . 2]"
1 73 THR 0.203 0.149 12 0 "[ . 1 . 2]"
1 74 ARG 0.571 0.179 19 0 "[ . 1 . 2]"
1 75 HIS 1.010 0.124 12 0 "[ . 1 . 2]"
1 76 ILE 2.126 0.213 8 0 "[ . 1 . 2]"
1 77 ASN 0.382 0.112 9 0 "[ . 1 . 2]"
1 78 LYS 0.323 0.098 9 0 "[ . 1 . 2]"
1 79 CYS 0.170 0.112 9 0 "[ . 1 . 2]"
1 80 HIS 2.687 0.215 10 0 "[ . 1 . 2]"
1 81 PRO 0.010 0.010 14 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLU 1.440 0.215 10 0 "[ . 1 . 2]"
1 84 ASN 0.210 0.081 5 0 "[ . 1 . 2]"
1 85 ARG 0.210 0.081 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 GLY QA 1 13 ASP QB 4.000 . 6.000 4.089 3.650 4.589 . 0 0 "[ . 1 . 2]" 1
2 1 13 ASP QB 1 14 GLY QA 4.000 . 6.000 4.206 3.855 4.682 . 0 0 "[ . 1 . 2]" 1
3 1 14 GLY QA 1 15 GLU HA 4.000 . 5.000 4.111 3.983 4.574 . 0 0 "[ . 1 . 2]" 1
4 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 3.229 2.136 4.417 . 0 0 "[ . 1 . 2]" 1
5 1 15 GLU HA 1 16 GLY QA 4.000 . 6.000 4.043 3.936 4.497 . 0 0 "[ . 1 . 2]" 1
6 1 16 GLY QA 1 17 ALA MB 4.000 . 5.000 3.872 3.554 4.143 . 0 0 "[ . 1 . 2]" 1
7 1 17 ALA MB 1 18 GLY QA 4.000 . 5.000 3.859 3.457 4.255 . 0 0 "[ . 1 . 2]" 1
8 1 18 GLY QA 1 19 VAL H 3.000 . 3.500 2.377 2.138 2.802 . 0 0 "[ . 1 . 2]" 1
9 1 18 GLY QA 1 19 VAL MG1 4.000 . 5.000 3.816 3.493 4.124 . 0 0 "[ . 1 . 2]" 1
10 1 18 GLY QA 1 19 VAL MG2 4.000 . 5.000 3.886 3.506 4.282 . 0 0 "[ . 1 . 2]" 1
11 1 19 VAL H 1 19 VAL MG2 4.000 . 5.000 2.084 1.964 2.234 . 0 0 "[ . 1 . 2]" 1
12 1 19 VAL H 1 20 LEU H 4.000 . 5.000 4.416 2.215 4.631 . 0 0 "[ . 1 . 2]" 1
13 1 19 VAL HA 1 19 VAL MG1 3.000 . 3.500 2.392 2.346 2.451 . 0 0 "[ . 1 . 2]" 1
14 1 19 VAL HA 1 19 VAL MG2 3.000 . 3.500 3.274 3.260 3.285 . 0 0 "[ . 1 . 2]" 1
15 1 19 VAL HA 1 20 LEU QB 4.000 . 6.000 4.510 4.289 5.438 . 0 0 "[ . 1 . 2]" 1
16 1 19 VAL HA 1 20 LEU HG 4.000 . 6.000 3.885 3.227 5.534 . 0 0 "[ . 1 . 2]" 1
17 1 19 VAL HB 1 20 LEU QB 4.000 . 5.000 4.853 3.978 5.131 0.131 18 0 "[ . 1 . 2]" 1
18 1 19 VAL HB 1 20 LEU QD 4.000 . 5.000 4.346 3.012 5.002 0.002 6 0 "[ . 1 . 2]" 1
19 1 19 VAL HB 1 20 LEU HG 4.000 . 5.000 4.624 3.429 5.209 0.209 19 0 "[ . 1 . 2]" 1
20 1 19 VAL MG2 1 20 LEU H 4.000 . 5.000 3.286 2.492 3.708 . 0 0 "[ . 1 . 2]" 1
21 1 19 VAL MG2 1 20 LEU HA 4.000 . 5.000 3.906 3.256 4.546 . 0 0 "[ . 1 . 2]" 1
22 1 20 LEU H 1 20 LEU QD 4.000 . 5.000 2.920 1.738 3.584 0.062 10 0 "[ . 1 . 2]" 1
23 1 20 LEU HA 1 20 LEU MD1 4.000 . 5.000 3.818 3.360 4.203 . 0 0 "[ . 1 . 2]" 1
24 1 20 LEU HA 1 20 LEU MD2 4.000 . 5.000 3.374 2.076 4.175 . 0 0 "[ . 1 . 2]" 1
25 1 21 GLY QA 1 22 LEU HG 4.000 . 6.000 5.332 3.795 6.263 0.263 1 0 "[ . 1 . 2]" 1
26 1 22 LEU H 1 22 LEU HG 4.000 . 5.000 3.755 1.932 4.761 . 0 0 "[ . 1 . 2]" 1
27 1 22 LEU HA 1 22 LEU MD1 4.000 . 5.000 3.107 2.113 4.175 . 0 0 "[ . 1 . 2]" 1
28 1 22 LEU HA 1 22 LEU QD 3.000 . 3.500 2.517 1.999 3.497 . 0 0 "[ . 1 . 2]" 1
29 1 22 LEU HA 1 22 LEU MD2 4.000 . 5.000 3.239 2.037 4.147 . 0 0 "[ . 1 . 2]" 1
30 1 24 ALA MB 1 25 SER HA 4.000 . 5.000 4.171 3.884 4.576 . 0 0 "[ . 1 . 2]" 1
31 1 26 ALA HA 1 27 GLU QB 4.000 . 6.000 4.388 3.901 5.549 . 0 0 "[ . 1 . 2]" 1
32 1 26 ALA MB 1 27 GLU HB2 4.000 . 5.000 4.645 3.448 5.285 0.285 6 0 "[ . 1 . 2]" 1
33 1 26 ALA MB 1 27 GLU QB 4.000 . 5.000 4.147 3.224 4.649 . 0 0 "[ . 1 . 2]" 1
34 1 26 ALA MB 1 27 GLU HB3 4.000 . 5.000 4.795 3.875 5.312 0.312 10 0 "[ . 1 . 2]" 1
35 1 27 GLU HB2 1 28 CYS H 4.000 . 5.000 4.010 1.999 4.645 . 0 0 "[ . 1 . 2]" 1
36 1 27 GLU HB3 1 28 CYS H 4.000 . 5.000 3.917 1.931 4.500 . 0 0 "[ . 1 . 2]" 1
37 1 28 CYS H 1 30 LEU MD2 4.000 . 5.000 4.157 3.044 5.227 0.227 11 0 "[ . 1 . 2]" 1
38 1 28 CYS HA 1 29 HIS H 3.000 . 3.500 2.976 2.232 3.581 0.081 2 0 "[ . 1 . 2]" 1
39 1 28 CYS QB 1 30 LEU MD2 4.000 . 5.000 4.165 2.459 5.155 0.155 7 0 "[ . 1 . 2]" 1
40 1 29 HIS H 1 38 PHE H 4.000 . 5.000 3.343 2.814 4.176 . 0 0 "[ . 1 . 2]" 1
41 1 29 HIS HA 1 30 LEU H 3.000 . 3.500 2.163 2.084 2.230 . 0 0 "[ . 1 . 2]" 1
42 1 29 HIS HA 1 30 LEU HG 4.000 . 5.000 3.879 3.615 4.710 . 0 0 "[ . 1 . 2]" 1
43 1 29 HIS QB 1 38 PHE H 4.000 . 5.000 3.916 3.168 4.934 . 0 0 "[ . 1 . 2]" 1
44 1 30 LEU H 1 30 LEU MD1 4.000 . 5.000 3.781 1.875 4.274 . 0 0 "[ . 1 . 2]" 1
45 1 30 LEU H 1 30 LEU MD2 4.000 . 5.000 3.558 3.171 4.297 . 0 0 "[ . 1 . 2]" 1
46 1 30 LEU H 1 30 LEU HG 4.000 . 5.000 2.742 2.355 3.457 . 0 0 "[ . 1 . 2]" 1
47 1 30 LEU HA 1 30 LEU MD1 4.000 . 5.000 3.927 3.426 4.005 . 0 0 "[ . 1 . 2]" 1
48 1 30 LEU HA 1 30 LEU MD2 3.000 . 3.500 2.368 2.125 3.617 0.117 9 0 "[ . 1 . 2]" 1
49 1 30 LEU HA 1 31 CYS H 3.000 . 3.500 2.220 2.159 2.287 . 0 0 "[ . 1 . 2]" 1
50 1 30 LEU HA 1 31 CYS HB2 4.000 . 5.000 4.776 4.678 4.892 . 0 0 "[ . 1 . 2]" 1
51 1 30 LEU HA 1 31 CYS HB3 4.000 . 6.000 4.568 4.385 4.815 . 0 0 "[ . 1 . 2]" 1
52 1 30 LEU HA 1 37 SER HA 4.000 . 5.000 3.259 2.208 4.069 . 0 0 "[ . 1 . 2]" 1
53 1 30 LEU HA 1 37 SER QB 4.000 . 6.000 5.048 4.018 5.953 . 0 0 "[ . 1 . 2]" 1
54 1 30 LEU HA 1 38 PHE H 4.000 . 5.000 3.541 2.783 4.084 . 0 0 "[ . 1 . 2]" 1
55 1 30 LEU HA 1 38 PHE QD 4.000 . 5.000 3.297 2.452 4.628 . 0 0 "[ . 1 . 2]" 1
56 1 30 LEU QB 1 30 LEU MD2 3.000 . 3.500 2.395 2.146 2.462 . 0 0 "[ . 1 . 2]" 1
57 1 30 LEU MD1 1 31 CYS H 4.000 . 6.000 5.111 4.902 5.325 . 0 0 "[ . 1 . 2]" 1
58 1 30 LEU MD1 1 37 SER QB 4.000 . 6.000 4.985 3.425 5.712 . 0 0 "[ . 1 . 2]" 1
59 1 30 LEU MD2 1 31 CYS H 4.000 . 5.000 3.985 3.649 4.735 . 0 0 "[ . 1 . 2]" 1
60 1 30 LEU MD2 1 37 SER H 4.000 . 5.000 3.510 3.140 3.955 . 0 0 "[ . 1 . 2]" 1
61 1 30 LEU MD2 1 37 SER HA 3.000 . 3.500 2.094 1.838 3.262 . 0 0 "[ . 1 . 2]" 1
62 1 30 LEU MD2 1 37 SER QB 3.000 . 3.500 3.009 2.068 3.646 0.146 10 0 "[ . 1 . 2]" 1
63 1 30 LEU MD2 1 38 PHE H 4.000 . 5.000 3.263 2.265 4.975 . 0 0 "[ . 1 . 2]" 1
64 1 30 LEU HG 1 37 SER HA 4.000 . 5.000 4.207 1.950 4.681 . 0 0 "[ . 1 . 2]" 1
65 1 31 CYS H 1 36 GLU H 4.000 . 5.000 3.610 2.638 4.357 . 0 0 "[ . 1 . 2]" 1
66 1 31 CYS HA 1 32 PRO HD2 3.000 . 3.500 2.355 2.065 2.660 . 0 0 "[ . 1 . 2]" 1
67 1 31 CYS HA 1 32 PRO HD3 3.000 . 3.500 2.383 2.068 2.787 . 0 0 "[ . 1 . 2]" 1
68 1 31 CYS HA 1 48 LEU MD1 4.000 . 5.000 3.369 2.837 4.036 . 0 0 "[ . 1 . 2]" 1
69 1 31 CYS HA 1 48 LEU MD2 4.000 . 5.000 3.216 2.595 3.675 . 0 0 "[ . 1 . 2]" 1
70 1 31 CYS HB2 1 32 PRO HD2 4.000 . 6.000 4.406 4.157 4.726 . 0 0 "[ . 1 . 2]" 1
71 1 31 CYS HB2 1 32 PRO QD 4.000 . 5.000 4.060 3.927 4.202 . 0 0 "[ . 1 . 2]" 1
72 1 31 CYS HB2 1 32 PRO HD3 4.000 . 6.000 4.812 4.494 5.234 . 0 0 "[ . 1 . 2]" 1
73 1 31 CYS HB2 1 34 CYS H 4.000 . 5.000 4.907 4.546 5.202 0.202 20 0 "[ . 1 . 2]" 1
74 1 31 CYS HB2 1 36 GLU HB3 4.000 . 5.000 3.794 3.045 4.707 . 0 0 "[ . 1 . 2]" 1
75 1 31 CYS HB2 1 38 PHE QE 4.000 . 5.000 2.221 1.764 4.208 0.036 7 0 "[ . 1 . 2]" 1
76 1 31 CYS HB2 1 47 HIS HD2 4.000 . 6.000 5.486 5.008 5.930 . 0 0 "[ . 1 . 2]" 1
77 1 31 CYS HB3 1 32 PRO QD 4.000 . 6.000 4.410 4.311 4.506 . 0 0 "[ . 1 . 2]" 1
78 1 31 CYS HB3 1 34 CYS H 4.000 . 5.000 3.489 3.182 3.879 . 0 0 "[ . 1 . 2]" 1
79 1 31 CYS HB3 1 35 GLY H 4.000 . 6.000 5.939 5.243 6.179 0.179 16 0 "[ . 1 . 2]" 1
80 1 31 CYS HB3 1 36 GLU H 4.000 . 5.000 4.427 3.691 4.949 . 0 0 "[ . 1 . 2]" 1
81 1 31 CYS HB3 1 36 GLU HB2 4.000 . 5.000 3.930 1.967 4.904 . 0 0 "[ . 1 . 2]" 1
82 1 31 CYS HB3 1 36 GLU HB3 4.000 . 5.000 2.828 2.072 3.522 . 0 0 "[ . 1 . 2]" 1
83 1 31 CYS HB3 1 38 PHE QE 4.000 . 5.000 2.933 2.227 4.832 . 0 0 "[ . 1 . 2]" 1
84 1 31 CYS HB3 1 48 LEU MD1 4.000 . 6.000 5.603 5.330 6.047 0.047 12 0 "[ . 1 . 2]" 1
85 1 32 PRO HB2 1 33 VAL HA 4.000 . 5.000 4.236 4.009 4.847 . 0 0 "[ . 1 . 2]" 1
86 1 32 PRO HB2 1 33 VAL MG2 4.000 . 5.000 3.066 2.351 3.896 . 0 0 "[ . 1 . 2]" 1
87 1 32 PRO HB3 1 33 VAL MG2 4.000 . 6.000 4.344 3.554 4.928 . 0 0 "[ . 1 . 2]" 1
88 1 32 PRO HB3 1 48 LEU MD1 4.000 . 5.000 4.874 4.536 5.079 0.079 5 0 "[ . 1 . 2]" 1
89 1 32 PRO QD 1 33 VAL H 4.000 . 5.000 3.329 3.017 3.717 . 0 0 "[ . 1 . 2]" 1
90 1 32 PRO QD 1 33 VAL MG2 4.000 . 5.000 3.671 3.272 4.481 . 0 0 "[ . 1 . 2]" 1
91 1 32 PRO QD 1 44 GLN QE 4.000 . 5.000 2.909 1.714 4.902 0.086 7 0 "[ . 1 . 2]" 1
92 1 32 PRO QD 1 44 GLN QG 4.000 . 5.000 3.049 2.130 4.374 . 0 0 "[ . 1 . 2]" 1
93 1 32 PRO QD 1 48 LEU MD1 4.000 . 5.000 1.976 1.780 2.273 0.020 11 0 "[ . 1 . 2]" 1
94 1 32 PRO QD 1 48 LEU MD2 3.000 . 3.500 1.877 1.744 2.337 0.056 5 0 "[ . 1 . 2]" 1
95 1 32 PRO HD2 1 48 LEU MD1 4.000 . 5.000 2.013 1.794 2.324 0.006 11 0 "[ . 1 . 2]" 1
96 1 32 PRO HD2 1 48 LEU MD2 4.000 . 5.000 1.885 1.752 2.355 0.048 5 0 "[ . 1 . 2]" 1
97 1 32 PRO HD3 1 48 LEU MD1 4.000 . 5.000 2.939 2.592 3.222 . 0 0 "[ . 1 . 2]" 1
98 1 32 PRO HD3 1 48 LEU MD2 4.000 . 5.000 3.482 3.211 3.917 . 0 0 "[ . 1 . 2]" 1
99 1 32 PRO QG 1 33 VAL H 4.000 . 5.000 3.754 2.843 4.322 . 0 0 "[ . 1 . 2]" 1
100 1 32 PRO QG 1 33 VAL MG2 4.000 . 5.000 3.519 2.498 4.270 . 0 0 "[ . 1 . 2]" 1
101 1 32 PRO QG 1 48 LEU MD1 4.000 . 5.000 2.706 2.203 3.024 . 0 0 "[ . 1 . 2]" 1
102 1 32 PRO QG 1 48 LEU MD2 4.000 . 5.000 2.859 2.226 3.453 . 0 0 "[ . 1 . 2]" 1
103 1 32 PRO HG2 1 48 LEU MD2 4.000 . 5.000 2.933 2.255 3.595 . 0 0 "[ . 1 . 2]" 1
104 1 32 PRO HG3 1 48 LEU MD2 4.000 . 5.000 3.994 3.427 4.467 . 0 0 "[ . 1 . 2]" 1
105 1 33 VAL H 1 33 VAL HB 3.000 . 3.500 2.711 2.574 2.866 . 0 0 "[ . 1 . 2]" 1
106 1 33 VAL H 1 33 VAL MG1 4.000 . 5.000 3.861 3.804 3.988 . 0 0 "[ . 1 . 2]" 1
107 1 33 VAL H 1 33 VAL MG2 3.000 . 3.500 2.118 1.898 2.689 . 0 0 "[ . 1 . 2]" 1
108 1 33 VAL H 1 34 CYS H 3.000 . 3.500 2.354 1.820 2.699 . 0 0 "[ . 1 . 2]" 1
109 1 33 VAL H 1 48 LEU MD2 4.000 . 5.000 2.886 2.567 3.432 . 0 0 "[ . 1 . 2]" 1
110 1 33 VAL HA 1 33 VAL MG1 3.000 . 3.500 2.360 2.316 2.419 . 0 0 "[ . 1 . 2]" 1
111 1 33 VAL HA 1 33 VAL MG2 3.000 . 3.500 2.582 2.480 2.679 . 0 0 "[ . 1 . 2]" 1
112 1 33 VAL HA 1 34 CYS HA 4.000 . 5.000 4.603 4.518 4.676 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL HB 1 34 CYS H 3.000 . 3.500 3.087 2.515 3.344 . 0 0 "[ . 1 . 2]" 1
114 1 33 VAL HB 1 34 CYS HA 4.000 . 6.000 4.850 4.481 5.035 . 0 0 "[ . 1 . 2]" 1
115 1 33 VAL HB 1 52 HIS HB3 4.000 . 5.000 2.932 2.006 4.191 . 0 0 "[ . 1 . 2]" 1
116 1 33 VAL HB 1 52 HIS HD2 4.000 . 5.000 3.967 2.774 4.469 . 0 0 "[ . 1 . 2]" 1
117 1 33 VAL MG1 1 34 CYS H 4.000 . 5.000 4.003 3.646 4.206 . 0 0 "[ . 1 . 2]" 1
118 1 33 VAL MG1 1 34 CYS HA 4.000 . 5.000 4.384 4.007 4.597 . 0 0 "[ . 1 . 2]" 1
119 1 33 VAL MG1 1 34 CYS HB3 4.000 . 5.000 3.908 3.682 4.213 . 0 0 "[ . 1 . 2]" 1
120 1 33 VAL MG1 1 48 LEU MD2 4.000 . 5.000 4.303 4.053 4.624 . 0 0 "[ . 1 . 2]" 1
121 1 33 VAL MG1 1 52 HIS HB3 4.000 . 5.000 3.496 2.612 5.014 0.014 20 0 "[ . 1 . 2]" 1
122 1 33 VAL MG1 1 52 HIS HE1 4.000 . 6.000 3.688 2.832 5.254 . 0 0 "[ . 1 . 2]" 1
123 1 33 VAL MG1 1 55 GLN QB 4.000 . 5.000 3.228 2.464 3.989 . 0 0 "[ . 1 . 2]" 1
124 1 33 VAL MG1 1 55 GLN HG2 4.000 . 5.000 2.950 2.318 3.659 . 0 0 "[ . 1 . 2]" 1
125 1 33 VAL MG2 1 34 CYS H 4.000 . 5.000 3.850 3.646 4.022 . 0 0 "[ . 1 . 2]" 1
126 1 33 VAL MG2 1 34 CYS HB3 4.000 . 6.000 5.338 5.049 5.718 . 0 0 "[ . 1 . 2]" 1
127 1 33 VAL MG2 1 48 LEU MD1 4.000 . 5.000 4.097 3.728 4.406 . 0 0 "[ . 1 . 2]" 1
128 1 33 VAL MG2 1 48 LEU MD2 3.000 . 3.500 2.283 2.104 2.903 . 0 0 "[ . 1 . 2]" 1
129 1 33 VAL MG2 1 52 HIS HB2 4.000 . 6.000 3.945 3.319 5.359 . 0 0 "[ . 1 . 2]" 1
130 1 33 VAL MG2 1 52 HIS HB3 4.000 . 5.000 2.605 1.856 4.174 . 0 0 "[ . 1 . 2]" 1
131 1 33 VAL MG2 1 52 HIS HD2 4.000 . 5.000 4.178 3.409 4.701 . 0 0 "[ . 1 . 2]" 1
132 1 33 VAL MG2 1 55 GLN HB2 4.000 . 5.000 2.206 1.840 2.732 . 0 0 "[ . 1 . 2]" 1
133 1 33 VAL MG2 1 55 GLN HB3 4.000 . 5.000 2.873 1.876 3.346 . 0 0 "[ . 1 . 2]" 1
134 1 33 VAL MG2 1 55 GLN HG2 4.000 . 5.000 3.287 2.677 4.269 . 0 0 "[ . 1 . 2]" 1
135 1 33 VAL MG2 1 55 GLN HG3 4.000 . 5.000 2.495 1.976 3.239 . 0 0 "[ . 1 . 2]" 1
136 1 33 VAL MG2 1 67 TYR QD 4.000 . 5.000 4.325 3.150 5.146 0.146 9 0 "[ . 1 . 2]" 1
137 1 33 VAL MG2 1 67 TYR QE 4.000 . 5.000 3.638 2.079 5.020 0.020 1 0 "[ . 1 . 2]" 1
138 1 34 CYS HA 1 35 GLY HA3 4.000 . 6.000 4.447 4.413 4.563 . 0 0 "[ . 1 . 2]" 1
139 1 34 CYS HB2 1 52 HIS HE1 4.000 . 6.000 3.314 3.145 3.653 . 0 0 "[ . 1 . 2]" 1
140 1 36 GLU H 1 36 GLU HB2 3.000 . 3.500 3.372 2.814 3.507 0.007 9 0 "[ . 1 . 2]" 1
141 1 36 GLU H 1 36 GLU HG2 4.000 . 6.000 4.747 3.706 5.281 . 0 0 "[ . 1 . 2]" 1
142 1 36 GLU H 1 36 GLU QG 4.000 . 5.000 4.249 3.574 4.457 . 0 0 "[ . 1 . 2]" 1
143 1 36 GLU H 1 36 GLU HG3 4.000 . 6.000 4.846 4.599 5.236 . 0 0 "[ . 1 . 2]" 1
144 1 36 GLU HA 1 37 SER H 3.000 . 3.500 2.182 2.133 2.307 . 0 0 "[ . 1 . 2]" 1
145 1 36 GLU HA 1 37 SER QB 4.000 . 5.000 4.440 4.050 4.757 . 0 0 "[ . 1 . 2]" 1
146 1 36 GLU HB2 1 37 SER H 4.000 . 5.000 4.442 4.203 4.581 . 0 0 "[ . 1 . 2]" 1
147 1 36 GLU HB2 1 38 PHE QE 4.000 . 5.000 4.516 3.636 4.861 . 0 0 "[ . 1 . 2]" 1
148 1 36 GLU HB3 1 37 SER H 4.000 . 5.000 4.314 3.974 4.481 . 0 0 "[ . 1 . 2]" 1
149 1 36 GLU HB3 1 38 PHE QE 4.000 . 5.000 3.064 1.943 3.877 . 0 0 "[ . 1 . 2]" 1
150 1 36 GLU HB3 1 38 PHE HZ 4.000 . 5.000 3.950 2.706 5.127 0.127 2 0 "[ . 1 . 2]" 1
151 1 36 GLU HG2 1 37 SER H 4.000 . 6.000 3.987 3.197 5.083 . 0 0 "[ . 1 . 2]" 1
152 1 36 GLU HG3 1 37 SER H 4.000 . 6.000 3.768 2.903 5.970 . 0 0 "[ . 1 . 2]" 1
153 1 37 SER H 1 37 SER QB 3.000 . 3.500 2.568 2.390 2.875 . 0 0 "[ . 1 . 2]" 1
154 1 37 SER HA 1 38 PHE H 3.000 . 3.500 2.169 2.121 2.232 . 0 0 "[ . 1 . 2]" 1
155 1 37 SER HA 1 38 PHE QD 4.000 . 5.000 4.434 3.998 4.887 . 0 0 "[ . 1 . 2]" 1
156 1 38 PHE H 1 38 PHE QD 4.000 . 5.000 3.416 2.916 3.809 . 0 0 "[ . 1 . 2]" 1
157 1 38 PHE HA 1 38 PHE QD 4.000 . 5.000 2.598 2.169 2.815 . 0 0 "[ . 1 . 2]" 1
158 1 38 PHE HA 1 43 ALA MB 4.000 . 5.000 3.918 3.582 4.442 . 0 0 "[ . 1 . 2]" 1
159 1 38 PHE QB 1 39 ALA MB 4.000 . 5.000 4.411 4.179 4.599 . 0 0 "[ . 1 . 2]" 1
160 1 38 PHE QB 1 40 SER H 4.000 . 5.000 2.991 2.480 3.548 . 0 0 "[ . 1 . 2]" 1
161 1 38 PHE QB 1 43 ALA MB 3.000 . 3.500 2.248 2.025 2.582 . 0 0 "[ . 1 . 2]" 1
162 1 38 PHE QB 1 44 GLN H 4.000 . 5.000 3.277 3.020 3.686 . 0 0 "[ . 1 . 2]" 1
163 1 38 PHE QB 1 44 GLN HA 4.000 . 5.000 3.521 3.051 3.916 . 0 0 "[ . 1 . 2]" 1
164 1 38 PHE QB 1 44 GLN HB2 4.000 . 5.000 2.772 2.303 3.079 . 0 0 "[ . 1 . 2]" 1
165 1 38 PHE QB 1 44 GLN HB3 4.000 . 6.000 4.124 3.706 4.424 . 0 0 "[ . 1 . 2]" 1
166 1 38 PHE HB2 1 43 ALA MB 4.000 . 5.000 3.584 3.147 4.063 . 0 0 "[ . 1 . 2]" 1
167 1 38 PHE HB2 1 44 GLN H 4.000 . 5.000 3.840 3.495 4.265 . 0 0 "[ . 1 . 2]" 1
168 1 38 PHE HB2 1 44 GLN HA 4.000 . 5.000 3.738 3.155 4.154 . 0 0 "[ . 1 . 2]" 1
169 1 38 PHE HB2 1 44 GLN HB2 4.000 . 5.000 2.853 2.358 3.195 . 0 0 "[ . 1 . 2]" 1
170 1 38 PHE HB3 1 43 ALA MB 4.000 . 5.000 2.274 2.040 2.618 . 0 0 "[ . 1 . 2]" 1
171 1 38 PHE HB3 1 44 GLN H 4.000 . 5.000 3.596 3.210 4.355 . 0 0 "[ . 1 . 2]" 1
172 1 38 PHE HB3 1 44 GLN HA 4.000 . 5.000 4.334 3.713 5.042 0.042 2 0 "[ . 1 . 2]" 1
173 1 38 PHE HB3 1 44 GLN HB2 4.000 . 5.000 3.840 3.231 4.484 . 0 0 "[ . 1 . 2]" 1
174 1 38 PHE QD 1 43 ALA MB 3.000 . 3.500 2.439 2.183 2.956 . 0 0 "[ . 1 . 2]" 1
175 1 38 PHE QD 1 44 GLN HA 4.000 . 5.000 2.554 2.176 3.061 . 0 0 "[ . 1 . 2]" 1
176 1 38 PHE QD 1 44 GLN HB2 4.000 . 5.000 3.027 2.164 3.538 . 0 0 "[ . 1 . 2]" 1
177 1 38 PHE QD 1 44 GLN HB3 4.000 . 5.000 4.507 3.834 4.818 . 0 0 "[ . 1 . 2]" 1
178 1 38 PHE QD 1 44 GLN HG2 4.000 . 5.000 4.538 2.897 5.081 0.081 7 0 "[ . 1 . 2]" 1
179 1 38 PHE QD 1 44 GLN HG3 4.000 . 5.000 3.768 2.870 5.022 0.022 7 0 "[ . 1 . 2]" 1
180 1 38 PHE QE 1 43 ALA MB 4.000 . 5.000 3.251 2.871 3.537 . 0 0 "[ . 1 . 2]" 1
181 1 38 PHE QE 1 47 HIS HD2 4.000 . 5.000 4.006 2.858 5.049 0.049 15 0 "[ . 1 . 2]" 1
182 1 39 ALA MB 1 40 SER QB 4.000 . 5.000 3.945 3.255 4.440 . 0 0 "[ . 1 . 2]" 1
183 1 40 SER H 1 43 ALA MB 4.000 . 5.000 3.349 2.745 4.053 . 0 0 "[ . 1 . 2]" 1
184 1 40 SER QB 1 43 ALA MB 4.000 . 5.000 2.604 1.965 3.637 . 0 0 "[ . 1 . 2]" 1
185 1 41 LYS HA 1 41 LYS HD2 4.000 . 5.000 4.356 2.314 4.941 . 0 0 "[ . 1 . 2]" 1
186 1 41 LYS HA 1 41 LYS QD 4.000 . 5.000 3.866 2.264 4.350 . 0 0 "[ . 1 . 2]" 1
187 1 41 LYS HA 1 41 LYS HD3 4.000 . 5.000 4.430 2.588 4.972 . 0 0 "[ . 1 . 2]" 1
188 1 41 LYS HA 1 44 GLN H 4.000 . 5.000 3.315 2.691 3.761 . 0 0 "[ . 1 . 2]" 1
189 1 41 LYS HA 1 44 GLN HB3 4.000 . 5.000 2.652 2.048 3.235 . 0 0 "[ . 1 . 2]" 1
190 1 41 LYS HA 1 45 GLU H 4.000 . 5.000 4.273 3.797 4.666 . 0 0 "[ . 1 . 2]" 1
191 1 41 LYS QB 1 45 GLU H 4.000 . 6.000 5.176 4.699 5.528 . 0 0 "[ . 1 . 2]" 1
192 1 41 LYS QE 1 41 LYS QG 3.000 . 3.500 2.323 2.161 2.838 . 0 0 "[ . 1 . 2]" 1
193 1 41 LYS QG 1 45 GLU HG2 4.000 . 5.000 3.397 1.963 4.867 . 0 0 "[ . 1 . 2]" 1
194 1 41 LYS QG 1 45 GLU HG3 4.000 . 5.000 3.450 2.481 5.012 0.012 14 0 "[ . 1 . 2]" 1
195 1 42 GLY H 1 43 ALA H 4.000 . 5.000 2.701 2.570 2.845 . 0 0 "[ . 1 . 2]" 1
196 1 42 GLY QA 1 43 ALA MB 4.000 . 5.000 4.150 4.027 4.260 . 0 0 "[ . 1 . 2]" 1
197 1 42 GLY QA 1 45 GLU QB 4.000 . 5.000 2.905 2.169 4.170 . 0 0 "[ . 1 . 2]" 1
198 1 42 GLY QA 1 45 GLU HG2 4.000 . 5.000 3.810 2.460 5.008 0.008 18 0 "[ . 1 . 2]" 1
199 1 42 GLY QA 1 45 GLU QG 4.000 . 5.000 3.093 2.109 3.925 . 0 0 "[ . 1 . 2]" 1
200 1 42 GLY QA 1 45 GLU HG3 4.000 . 5.000 3.449 2.142 4.556 . 0 0 "[ . 1 . 2]" 1
201 1 42 GLY QA 1 46 ARG H 4.000 . 5.000 4.027 3.727 4.358 . 0 0 "[ . 1 . 2]" 1
202 1 43 ALA H 1 43 ALA MB 3.000 . 3.500 2.251 2.227 2.271 . 0 0 "[ . 1 . 2]" 1
203 1 43 ALA H 1 44 GLN H 3.000 . 3.500 2.528 2.478 2.657 . 0 0 "[ . 1 . 2]" 1
204 1 43 ALA HA 1 46 ARG H 4.000 . 5.000 3.570 3.178 3.902 . 0 0 "[ . 1 . 2]" 1
205 1 43 ALA HA 1 46 ARG HB2 4.000 . 5.000 4.500 2.239 5.039 0.039 5 0 "[ . 1 . 2]" 1
206 1 43 ALA HA 1 46 ARG HB3 4.000 . 5.000 3.534 2.221 4.300 . 0 0 "[ . 1 . 2]" 1
207 1 43 ALA HA 1 46 ARG QD 4.000 . 5.000 2.775 1.980 5.048 0.048 20 0 "[ . 1 . 2]" 1
208 1 43 ALA HA 1 46 ARG HG2 3.000 . 3.500 2.429 2.065 3.536 0.036 20 0 "[ . 1 . 2]" 1
209 1 43 ALA HA 1 46 ARG HG3 4.000 . 5.000 3.791 2.736 4.534 . 0 0 "[ . 1 . 2]" 1
210 1 43 ALA HA 1 47 HIS H 4.000 . 5.000 4.604 4.158 5.131 0.131 19 0 "[ . 1 . 2]" 1
211 1 43 ALA MB 1 44 GLN H 3.000 . 3.500 2.776 2.543 3.001 . 0 0 "[ . 1 . 2]" 1
212 1 43 ALA MB 1 44 GLN HA 4.000 . 5.000 4.077 3.983 4.185 . 0 0 "[ . 1 . 2]" 1
213 1 43 ALA MB 1 45 GLU H 4.000 . 6.000 4.748 4.573 4.971 . 0 0 "[ . 1 . 2]" 1
214 1 44 GLN H 1 44 GLN HB2 3.000 . 3.500 2.643 2.500 2.733 . 0 0 "[ . 1 . 2]" 1
215 1 44 GLN H 1 44 GLN HB3 3.000 . 3.500 2.395 2.308 2.520 . 0 0 "[ . 1 . 2]" 1
216 1 44 GLN H 1 44 GLN HG2 4.000 . 5.000 4.456 4.353 4.607 . 0 0 "[ . 1 . 2]" 1
217 1 44 GLN H 1 44 GLN HG3 4.000 . 5.000 4.566 4.384 4.671 . 0 0 "[ . 1 . 2]" 1
218 1 44 GLN H 1 45 GLU H 3.000 . 3.500 2.634 2.398 2.815 . 0 0 "[ . 1 . 2]" 1
219 1 44 GLN H 1 45 GLU QG 4.000 . 6.000 4.251 3.942 5.680 . 0 0 "[ . 1 . 2]" 1
220 1 44 GLN HA 1 44 GLN QG 3.000 . 3.500 2.706 2.539 3.198 . 0 0 "[ . 1 . 2]" 1
221 1 44 GLN HA 1 47 HIS H 4.000 . 5.000 4.004 3.630 4.498 . 0 0 "[ . 1 . 2]" 1
222 1 44 GLN HA 1 48 LEU H 4.000 . 6.000 5.060 4.561 5.875 . 0 0 "[ . 1 . 2]" 1
223 1 44 GLN HB2 1 45 GLU H 4.000 . 5.000 3.847 3.696 3.991 . 0 0 "[ . 1 . 2]" 1
224 1 44 GLN HB3 1 45 GLU H 3.000 . 3.500 2.489 2.268 2.733 . 0 0 "[ . 1 . 2]" 1
225 1 44 GLN QE 1 48 LEU MD2 4.000 . 6.000 4.764 2.997 5.897 . 0 0 "[ . 1 . 2]" 1
226 1 44 GLN HE21 1 48 LEU MD1 4.000 . 5.000 3.445 2.188 4.701 . 0 0 "[ . 1 . 2]" 1
227 1 44 GLN HE22 1 48 LEU MD1 4.000 . 5.000 4.029 1.905 5.206 0.206 13 0 "[ . 1 . 2]" 1
228 1 44 GLN QG 1 45 GLU H 4.000 . 5.000 3.491 3.115 4.197 . 0 0 "[ . 1 . 2]" 1
229 1 44 GLN QG 1 48 LEU MD1 4.000 . 5.000 2.991 2.274 4.230 . 0 0 "[ . 1 . 2]" 1
230 1 44 GLN QG 1 48 LEU MD2 4.000 . 6.000 4.354 3.614 5.186 . 0 0 "[ . 1 . 2]" 1
231 1 44 GLN HG2 1 48 LEU MD1 4.000 . 5.000 3.285 2.317 4.670 . 0 0 "[ . 1 . 2]" 1
232 1 44 GLN HG3 1 48 LEU MD1 4.000 . 6.000 3.879 2.954 5.137 . 0 0 "[ . 1 . 2]" 1
233 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.472 2.020 2.666 . 0 0 "[ . 1 . 2]" 1
234 1 45 GLU H 1 45 GLU HG2 3.000 . 3.500 2.882 2.173 3.757 0.257 3 0 "[ . 1 . 2]" 1
235 1 45 GLU H 1 45 GLU HG3 4.000 . 5.000 3.072 2.094 4.263 . 0 0 "[ . 1 . 2]" 1
236 1 45 GLU H 1 46 ARG H 4.000 . 5.000 2.655 2.516 2.812 . 0 0 "[ . 1 . 2]" 1
237 1 45 GLU HA 1 47 HIS H 4.000 . 5.000 4.321 4.097 4.551 . 0 0 "[ . 1 . 2]" 1
238 1 45 GLU HA 1 48 LEU H 4.000 . 5.000 3.484 3.199 3.782 . 0 0 "[ . 1 . 2]" 1
239 1 45 GLU HA 1 48 LEU HB2 4.000 . 5.000 2.788 2.158 3.301 . 0 0 "[ . 1 . 2]" 1
240 1 45 GLU HA 1 48 LEU HB3 4.000 . 5.000 4.352 3.709 4.964 . 0 0 "[ . 1 . 2]" 1
241 1 45 GLU HA 1 48 LEU MD1 4.000 . 5.000 2.452 1.762 3.690 0.038 9 0 "[ . 1 . 2]" 1
242 1 45 GLU HB2 1 46 ARG H 4.000 . 5.000 2.986 2.313 4.257 . 0 0 "[ . 1 . 2]" 1
243 1 45 GLU HB3 1 46 ARG H 4.000 . 5.000 3.827 2.813 4.350 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLU QG 1 46 ARG H 4.000 . 5.000 4.054 2.727 4.553 . 0 0 "[ . 1 . 2]" 1
245 1 45 GLU HG2 1 46 ARG H 4.000 . 6.000 4.690 4.100 5.249 . 0 0 "[ . 1 . 2]" 1
246 1 45 GLU HG3 1 46 ARG H 4.000 . 6.000 4.669 2.752 5.404 . 0 0 "[ . 1 . 2]" 1
247 1 46 ARG H 1 46 ARG HB3 3.000 . 3.500 2.536 2.277 2.676 . 0 0 "[ . 1 . 2]" 1
248 1 46 ARG H 1 46 ARG HG2 4.000 . 5.000 2.725 2.190 4.637 . 0 0 "[ . 1 . 2]" 1
249 1 46 ARG H 1 46 ARG HG3 4.000 . 5.000 3.631 2.354 4.518 . 0 0 "[ . 1 . 2]" 1
250 1 46 ARG H 1 47 HIS H 3.000 . 3.500 2.696 2.558 2.901 . 0 0 "[ . 1 . 2]" 1
251 1 46 ARG HA 1 48 LEU H 4.000 . 5.000 4.179 3.898 4.564 . 0 0 "[ . 1 . 2]" 1
252 1 46 ARG HA 1 49 ARG H 4.000 . 5.000 3.429 2.946 3.832 . 0 0 "[ . 1 . 2]" 1
253 1 46 ARG HA 1 49 ARG QD 4.000 . 5.000 3.621 2.399 5.065 0.065 4 0 "[ . 1 . 2]" 1
254 1 46 ARG HA 1 49 ARG QG 4.000 . 5.000 2.855 1.851 4.839 . 0 0 "[ . 1 . 2]" 1
255 1 46 ARG HA 1 50 LEU MD1 4.000 . 5.000 3.716 2.749 4.353 . 0 0 "[ . 1 . 2]" 1
256 1 46 ARG HB2 1 47 HIS H 4.000 . 5.000 4.055 3.788 4.268 . 0 0 "[ . 1 . 2]" 1
257 1 46 ARG HB2 1 50 LEU MD1 4.000 . 5.000 2.803 1.905 4.853 . 0 0 "[ . 1 . 2]" 1
258 1 46 ARG HB3 1 46 ARG HD2 4.000 . 5.000 3.179 2.507 4.277 . 0 0 "[ . 1 . 2]" 1
259 1 46 ARG HB3 1 46 ARG QD 3.000 . 3.500 2.795 2.435 3.557 0.057 9 0 "[ . 1 . 2]" 1
260 1 46 ARG HB3 1 46 ARG HD3 4.000 . 5.000 3.486 2.545 3.822 . 0 0 "[ . 1 . 2]" 1
261 1 46 ARG HB3 1 47 HIS H 4.000 . 5.000 3.898 2.471 4.184 . 0 0 "[ . 1 . 2]" 1
262 1 46 ARG HB3 1 50 LEU MD1 4.000 . 5.000 4.054 3.167 4.709 . 0 0 "[ . 1 . 2]" 1
263 1 46 ARG QD 1 47 HIS H 4.000 . 5.000 4.351 2.799 4.792 . 0 0 "[ . 1 . 2]" 1
264 1 46 ARG HD2 1 47 HIS H 4.000 . 6.000 5.004 3.748 6.000 0.000 20 0 "[ . 1 . 2]" 1
265 1 46 ARG HD2 1 50 LEU MD1 4.000 . 5.000 4.303 2.299 5.076 0.076 5 0 "[ . 1 . 2]" 1
266 1 46 ARG HD3 1 47 HIS H 4.000 . 6.000 4.830 2.889 5.278 . 0 0 "[ . 1 . 2]" 1
267 1 46 ARG HD3 1 50 LEU MD1 4.000 . 5.000 4.071 2.646 5.037 0.037 10 0 "[ . 1 . 2]" 1
268 1 46 ARG HG2 1 47 HIS H 4.000 . 5.000 2.997 2.299 4.780 . 0 0 "[ . 1 . 2]" 1
269 1 46 ARG HG3 1 47 HIS H 4.000 . 5.000 2.879 2.179 3.856 . 0 0 "[ . 1 . 2]" 1
270 1 46 ARG HG3 1 47 HIS HA 4.000 . 5.000 3.599 3.251 4.288 . 0 0 "[ . 1 . 2]" 1
271 1 46 ARG HG3 1 47 HIS HB2 4.000 . 5.000 3.961 3.345 5.017 0.017 4 0 "[ . 1 . 2]" 1
272 1 47 HIS H 1 47 HIS HB2 3.000 . 3.500 2.334 2.205 2.474 . 0 0 "[ . 1 . 2]" 1
273 1 47 HIS H 1 47 HIS HB3 3.000 . 3.500 3.115 2.829 3.502 0.002 4 0 "[ . 1 . 2]" 1
274 1 47 HIS H 1 47 HIS HD2 4.000 . 5.000 4.338 3.092 4.803 . 0 0 "[ . 1 . 2]" 1
275 1 47 HIS H 1 48 LEU H 3.000 . 3.500 2.541 2.471 2.759 . 0 0 "[ . 1 . 2]" 1
276 1 47 HIS HA 1 50 LEU H 4.000 . 5.000 3.874 3.386 4.485 . 0 0 "[ . 1 . 2]" 1
277 1 47 HIS HA 1 50 LEU HB2 4.000 . 5.000 3.402 2.661 4.284 . 0 0 "[ . 1 . 2]" 1
278 1 47 HIS HA 1 50 LEU QB 4.000 . 5.000 3.350 2.634 4.188 . 0 0 "[ . 1 . 2]" 1
279 1 47 HIS HA 1 50 LEU HB3 4.000 . 6.000 5.046 4.213 5.912 . 0 0 "[ . 1 . 2]" 1
280 1 47 HIS HA 1 50 LEU MD1 4.000 . 5.000 3.983 2.662 5.074 0.074 5 0 "[ . 1 . 2]" 1
281 1 47 HIS HA 1 50 LEU HG 4.000 . 6.000 4.844 3.958 5.833 . 0 0 "[ . 1 . 2]" 1
282 1 47 HIS HA 1 51 LEU H 4.000 . 6.000 3.182 2.492 3.795 . 0 0 "[ . 1 . 2]" 1
283 1 47 HIS HA 1 51 LEU MD1 4.000 . 6.000 3.624 2.097 4.959 . 0 0 "[ . 1 . 2]" 1
284 1 47 HIS HB2 1 48 LEU H 4.000 . 5.000 3.625 2.704 4.015 . 0 0 "[ . 1 . 2]" 1
285 1 47 HIS HB3 1 48 LEU H 4.000 . 5.000 3.032 2.575 3.345 . 0 0 "[ . 1 . 2]" 1
286 1 47 HIS HE1 1 51 LEU HB2 4.000 . 5.000 3.750 2.812 4.689 . 0 0 "[ . 1 . 2]" 1
287 1 47 HIS HE1 1 51 LEU MD1 4.000 . 5.000 3.309 2.657 4.204 . 0 0 "[ . 1 . 2]" 1
288 1 47 HIS HE1 1 51 LEU MD2 4.000 . 6.000 5.425 5.050 5.838 . 0 0 "[ . 1 . 2]" 1
289 1 47 HIS HE1 1 51 LEU HG 4.000 . 6.000 5.464 4.837 6.050 0.050 5 0 "[ . 1 . 2]" 1
290 1 48 LEU H 1 48 LEU HB2 3.000 . 3.500 2.436 2.327 2.525 . 0 0 "[ . 1 . 2]" 1
291 1 48 LEU H 1 48 LEU MD1 4.000 . 5.000 3.691 3.353 3.872 . 0 0 "[ . 1 . 2]" 1
292 1 48 LEU H 1 48 LEU MD2 4.000 . 5.000 3.472 3.172 3.678 . 0 0 "[ . 1 . 2]" 1
293 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 2.450 2.026 2.663 . 0 0 "[ . 1 . 2]" 1
294 1 48 LEU H 1 49 ARG H 3.000 . 3.500 2.706 2.555 2.888 . 0 0 "[ . 1 . 2]" 1
295 1 48 LEU HA 1 48 LEU MD1 4.000 . 5.000 3.920 3.860 3.980 . 0 0 "[ . 1 . 2]" 1
296 1 48 LEU HA 1 48 LEU MD2 3.000 . 3.500 2.050 1.884 2.186 . 0 0 "[ . 1 . 2]" 1
297 1 48 LEU HA 1 51 LEU H 4.000 . 5.000 4.684 4.181 5.086 0.086 11 0 "[ . 1 . 2]" 1
298 1 48 LEU HA 1 51 LEU HB2 4.000 . 6.000 5.382 4.587 6.044 0.044 20 0 "[ . 1 . 2]" 1
299 1 48 LEU HA 1 52 HIS H 4.000 . 5.000 3.250 2.782 3.702 . 0 0 "[ . 1 . 2]" 1
300 1 48 LEU HA 1 52 HIS HB2 4.000 . 5.000 2.555 1.959 3.355 . 0 0 "[ . 1 . 2]" 1
301 1 48 LEU HA 1 52 HIS HB3 4.000 . 5.000 2.880 1.907 3.420 . 0 0 "[ . 1 . 2]" 1
302 1 48 LEU HA 1 52 HIS HD2 4.000 . 6.000 5.831 5.282 6.132 0.132 4 0 "[ . 1 . 2]" 1
303 1 48 LEU HA 1 56 VAL MG1 4.000 . 5.000 3.684 3.015 4.502 . 0 0 "[ . 1 . 2]" 1
304 1 48 LEU HA 1 56 VAL MG2 4.000 . 6.000 3.687 3.211 4.179 . 0 0 "[ . 1 . 2]" 1
305 1 48 LEU HB2 1 48 LEU MD1 3.000 . 3.500 2.381 2.332 2.476 . 0 0 "[ . 1 . 2]" 1
306 1 48 LEU HB2 1 49 ARG H 4.000 . 5.000 2.528 2.181 3.035 . 0 0 "[ . 1 . 2]" 1
307 1 48 LEU HB3 1 48 LEU MD2 3.000 . 3.500 2.444 2.371 2.530 . 0 0 "[ . 1 . 2]" 1
308 1 48 LEU HB3 1 49 ARG H 4.000 . 5.000 3.473 3.099 4.029 . 0 0 "[ . 1 . 2]" 1
309 1 48 LEU HB3 1 52 HIS H 4.000 . 6.000 5.499 5.025 6.097 0.097 6 0 "[ . 1 . 2]" 1
310 1 48 LEU HB3 1 56 VAL H 4.000 . 6.000 5.116 4.349 5.845 . 0 0 "[ . 1 . 2]" 1
311 1 48 LEU HB3 1 56 VAL MG1 4.000 . 5.000 2.155 1.775 2.976 0.025 16 0 "[ . 1 . 2]" 1
312 1 48 LEU HB3 1 56 VAL MG2 4.000 . 5.000 2.538 1.785 3.554 0.015 15 0 "[ . 1 . 2]" 1
313 1 48 LEU MD1 1 49 ARG H 4.000 . 5.000 4.491 4.166 4.847 . 0 0 "[ . 1 . 2]" 1
314 1 48 LEU MD1 1 56 VAL MG1 3.000 . 3.500 2.332 1.764 3.318 0.036 9 0 "[ . 1 . 2]" 1
315 1 48 LEU MD1 1 65 THR HB 4.000 . 6.000 4.811 3.875 6.069 0.069 7 0 "[ . 1 . 2]" 1
316 1 48 LEU MD1 1 67 TYR QD 4.000 . 5.000 3.834 2.424 4.844 . 0 0 "[ . 1 . 2]" 1
317 1 48 LEU MD1 1 67 TYR QE 4.000 . 5.000 3.263 1.800 5.084 0.084 14 0 "[ . 1 . 2]" 1
318 1 48 LEU MD2 1 49 ARG H 4.000 . 5.000 4.695 4.561 4.839 . 0 0 "[ . 1 . 2]" 1
319 1 48 LEU MD2 1 52 HIS H 4.000 . 5.000 4.524 4.054 5.001 0.001 11 0 "[ . 1 . 2]" 1
320 1 48 LEU MD2 1 52 HIS HB2 4.000 . 5.000 2.834 2.318 3.416 . 0 0 "[ . 1 . 2]" 1
321 1 48 LEU MD2 1 52 HIS HB3 4.000 . 6.000 2.560 2.159 2.929 . 0 0 "[ . 1 . 2]" 1
322 1 48 LEU MD2 1 52 HIS HD2 4.000 . 6.000 5.336 4.777 5.830 . 0 0 "[ . 1 . 2]" 1
323 1 48 LEU MD2 1 55 GLN H 4.000 . 6.000 4.961 4.381 5.537 . 0 0 "[ . 1 . 2]" 1
324 1 48 LEU MD2 1 55 GLN QB 4.000 . 5.000 3.771 3.233 4.350 . 0 0 "[ . 1 . 2]" 1
325 1 48 LEU MD2 1 56 VAL H 4.000 . 6.000 4.616 3.991 5.503 . 0 0 "[ . 1 . 2]" 1
326 1 48 LEU MD2 1 56 VAL MG1 4.000 . 5.000 2.260 1.970 2.784 . 0 0 "[ . 1 . 2]" 1
327 1 48 LEU MD2 1 67 TYR QD 4.000 . 5.000 3.951 2.609 4.833 . 0 0 "[ . 1 . 2]" 1
328 1 48 LEU MD2 1 67 TYR QE 4.000 . 5.000 3.239 2.124 4.526 . 0 0 "[ . 1 . 2]" 1
329 1 49 ARG H 1 49 ARG QB 3.000 . 3.500 2.452 2.153 2.833 . 0 0 "[ . 1 . 2]" 1
330 1 49 ARG H 1 49 ARG QD 4.000 . 5.000 4.154 3.338 4.908 . 0 0 "[ . 1 . 2]" 1
331 1 49 ARG H 1 49 ARG QG 4.000 . 5.000 2.800 2.028 4.084 . 0 0 "[ . 1 . 2]" 1
332 1 49 ARG H 1 50 LEU H 3.000 . 3.500 2.602 2.371 2.848 . 0 0 "[ . 1 . 2]" 1
333 1 49 ARG H 1 56 VAL MG1 4.000 . 6.000 4.964 4.277 5.626 . 0 0 "[ . 1 . 2]" 1
334 1 49 ARG H 1 56 VAL MG2 4.000 . 5.000 4.122 3.422 4.844 . 0 0 "[ . 1 . 2]" 1
335 1 49 ARG HA 1 49 ARG QD 4.000 . 5.000 3.972 2.026 4.677 . 0 0 "[ . 1 . 2]" 1
336 1 49 ARG HA 1 53 ALA HA 4.000 . 5.000 3.719 3.071 4.204 . 0 0 "[ . 1 . 2]" 1
337 1 49 ARG HA 1 53 ALA MB 4.000 . 5.000 2.984 2.247 3.913 . 0 0 "[ . 1 . 2]" 1
338 1 49 ARG HA 1 56 VAL MG2 4.000 . 5.000 3.070 2.326 3.859 . 0 0 "[ . 1 . 2]" 1
339 1 49 ARG QB 1 53 ALA HA 4.000 . 6.000 5.406 4.814 6.051 0.051 10 0 "[ . 1 . 2]" 1
340 1 49 ARG QD 1 50 LEU H 4.000 . 5.000 4.084 2.658 5.057 0.057 4 0 "[ . 1 . 2]" 1
341 1 49 ARG QD 1 50 LEU MD1 4.000 . 6.000 4.213 3.359 6.042 0.042 4 0 "[ . 1 . 2]" 1
342 1 49 ARG QD 1 50 LEU MD2 4.000 . 5.000 3.104 2.127 5.069 0.069 4 0 "[ . 1 . 2]" 1
343 1 50 LEU H 1 50 LEU MD1 4.000 . 5.000 3.851 3.700 4.025 . 0 0 "[ . 1 . 2]" 1
344 1 50 LEU H 1 50 LEU HG 3.000 . 3.500 2.680 2.397 2.916 . 0 0 "[ . 1 . 2]" 1
345 1 50 LEU H 1 51 LEU H 3.000 . 3.500 2.635 2.241 2.972 . 0 0 "[ . 1 . 2]" 1
346 1 50 LEU H 1 52 HIS H 4.000 . 5.000 3.791 3.185 4.499 . 0 0 "[ . 1 . 2]" 1
347 1 50 LEU HA 1 50 LEU MD1 4.000 . 5.000 3.947 3.901 3.995 . 0 0 "[ . 1 . 2]" 1
348 1 50 LEU HA 1 50 LEU MD2 3.000 . 3.500 2.134 2.033 2.260 . 0 0 "[ . 1 . 2]" 1
349 1 50 LEU QB 1 50 LEU MD1 3.000 . 3.500 2.148 2.133 2.163 . 0 0 "[ . 1 . 2]" 1
350 1 50 LEU QB 1 51 LEU HA 4.000 . 5.000 3.814 3.676 3.986 . 0 0 "[ . 1 . 2]" 1
351 1 50 LEU QB 1 51 LEU MD2 4.000 . 5.000 2.968 2.431 3.441 . 0 0 "[ . 1 . 2]" 1
352 1 50 LEU QB 1 52 HIS H 4.000 . 5.000 4.235 3.989 4.617 . 0 0 "[ . 1 . 2]" 1
353 1 50 LEU HB2 1 50 LEU MD1 3.000 . 3.500 2.368 2.339 2.408 . 0 0 "[ . 1 . 2]" 1
354 1 50 LEU HB2 1 51 LEU H 4.000 . 5.000 2.166 2.041 2.339 . 0 0 "[ . 1 . 2]" 1
355 1 50 LEU HB2 1 52 HIS H 4.000 . 6.000 4.437 4.165 4.809 . 0 0 "[ . 1 . 2]" 1
356 1 50 LEU HB3 1 50 LEU MD1 3.000 . 3.500 2.462 2.417 2.518 . 0 0 "[ . 1 . 2]" 1
357 1 50 LEU HB3 1 51 LEU H 4.000 . 5.000 3.178 2.803 3.511 . 0 0 "[ . 1 . 2]" 1
358 1 50 LEU HB3 1 52 HIS H 4.000 . 6.000 5.363 4.933 5.955 . 0 0 "[ . 1 . 2]" 1
359 1 50 LEU MD1 1 51 LEU HG 4.000 . 5.000 3.770 3.528 4.091 . 0 0 "[ . 1 . 2]" 1
360 1 50 LEU MD2 1 51 LEU HG 4.000 . 6.000 4.969 4.519 5.362 . 0 0 "[ . 1 . 2]" 1
361 1 51 LEU H 1 51 LEU HB2 3.000 . 3.500 2.534 2.474 2.632 . 0 0 "[ . 1 . 2]" 1
362 1 51 LEU H 1 51 LEU MD1 4.000 . 5.000 3.869 3.665 4.097 . 0 0 "[ . 1 . 2]" 1
363 1 51 LEU H 1 51 LEU MD2 4.000 . 5.000 3.434 3.119 3.698 . 0 0 "[ . 1 . 2]" 1
364 1 51 LEU H 1 51 LEU HG 4.000 . 5.000 2.578 2.285 2.893 . 0 0 "[ . 1 . 2]" 1
365 1 51 LEU H 1 52 HIS H 3.000 . 3.500 2.417 2.059 2.732 . 0 0 "[ . 1 . 2]" 1
366 1 51 LEU H 1 53 ALA H 4.000 . 5.000 4.391 3.780 4.987 . 0 0 "[ . 1 . 2]" 1
367 1 51 LEU HA 1 51 LEU MD1 4.000 . 5.000 3.918 3.887 3.955 . 0 0 "[ . 1 . 2]" 1
368 1 51 LEU HA 1 51 LEU MD2 3.000 . 3.500 2.112 2.043 2.181 . 0 0 "[ . 1 . 2]" 1
369 1 51 LEU HB2 1 51 LEU MD1 3.000 . 3.500 2.417 2.377 2.454 . 0 0 "[ . 1 . 2]" 1
370 1 51 LEU HB2 1 52 HIS H 4.000 . 5.000 2.957 2.143 3.900 . 0 0 "[ . 1 . 2]" 1
371 1 51 LEU HB2 1 52 HIS HA 4.000 . 5.000 4.670 4.282 5.060 0.060 20 0 "[ . 1 . 2]" 1
372 1 51 LEU HB2 1 52 HIS HB2 4.000 . 6.000 3.872 3.557 4.347 . 0 0 "[ . 1 . 2]" 1
373 1 51 LEU HB3 1 51 LEU MD2 3.000 . 3.500 2.494 2.461 2.554 . 0 0 "[ . 1 . 2]" 1
374 1 51 LEU HB3 1 52 HIS H 4.000 . 5.000 3.883 3.173 4.463 . 0 0 "[ . 1 . 2]" 1
375 1 51 LEU HB3 1 52 HIS HA 4.000 . 5.000 4.725 4.219 5.143 0.143 4 0 "[ . 1 . 2]" 1
376 1 51 LEU HG 1 52 HIS H 4.000 . 6.000 4.474 4.177 4.915 . 0 0 "[ . 1 . 2]" 1
377 1 52 HIS H 1 52 HIS HD2 4.000 . 5.000 4.651 3.957 4.992 . 0 0 "[ . 1 . 2]" 1
378 1 52 HIS H 1 53 ALA H 4.000 . 5.000 2.753 2.134 3.527 . 0 0 "[ . 1 . 2]" 1
379 1 52 HIS HA 1 53 ALA MB 4.000 . 5.000 4.493 4.327 4.687 . 0 0 "[ . 1 . 2]" 1
380 1 52 HIS HB2 1 56 VAL MG1 4.000 . 6.000 5.208 4.586 5.724 . 0 0 "[ . 1 . 2]" 1
381 1 52 HIS HB2 1 56 VAL MG2 4.000 . 6.000 5.293 4.733 6.032 0.032 11 0 "[ . 1 . 2]" 1
382 1 52 HIS HB3 1 53 ALA H 4.000 . 5.000 4.405 4.224 4.487 . 0 0 "[ . 1 . 2]" 1
383 1 52 HIS HB3 1 55 GLN HB2 4.000 . 5.000 4.153 2.781 5.090 0.090 10 0 "[ . 1 . 2]" 1
384 1 52 HIS HB3 1 55 GLN QB 4.000 . 5.000 4.064 2.743 4.960 . 0 0 "[ . 1 . 2]" 1
385 1 52 HIS HB3 1 56 VAL H 4.000 . 6.000 5.389 4.368 6.015 0.015 16 0 "[ . 1 . 2]" 1
386 1 52 HIS HB3 1 56 VAL MG1 4.000 . 5.000 4.317 3.340 5.070 0.070 9 0 "[ . 1 . 2]" 1
387 1 52 HIS HB3 1 56 VAL MG2 4.000 . 5.000 4.695 3.872 5.143 0.143 4 0 "[ . 1 . 2]" 1
388 1 53 ALA H 1 53 ALA MB 3.000 . 3.500 2.270 2.229 2.330 . 0 0 "[ . 1 . 2]" 1
389 1 53 ALA H 1 54 ALA H 4.000 . 5.000 2.740 2.392 4.042 . 0 0 "[ . 1 . 2]" 1
390 1 53 ALA HA 1 56 VAL H 4.000 . 5.000 3.322 2.851 3.770 . 0 0 "[ . 1 . 2]" 1
391 1 53 ALA HA 1 56 VAL MG1 4.000 . 5.000 3.887 3.504 4.130 . 0 0 "[ . 1 . 2]" 1
392 1 53 ALA HA 1 56 VAL MG2 4.000 . 6.000 1.883 1.702 2.347 0.098 8 0 "[ . 1 . 2]" 1
393 1 53 ALA MB 1 54 ALA HA 4.000 . 5.000 4.138 3.938 4.402 . 0 0 "[ . 1 . 2]" 1
394 1 54 ALA HA 1 55 GLN HG2 4.000 . 6.000 5.147 4.956 5.553 . 0 0 "[ . 1 . 2]" 1
395 1 54 ALA HA 1 56 VAL H 4.000 . 5.000 4.403 3.927 5.004 0.004 5 0 "[ . 1 . 2]" 1
396 1 54 ALA MB 1 55 GLN HA 4.000 . 5.000 4.024 3.906 4.245 . 0 0 "[ . 1 . 2]" 1
397 1 54 ALA MB 1 55 GLN HG2 3.000 . 3.500 2.992 2.680 3.411 . 0 0 "[ . 1 . 2]" 1
398 1 54 ALA MB 1 55 GLN HG3 4.000 . 5.000 4.510 4.219 4.894 . 0 0 "[ . 1 . 2]" 1
399 1 54 ALA MB 1 56 VAL MG2 4.000 . 6.000 5.044 4.321 5.360 . 0 0 "[ . 1 . 2]" 1
400 1 55 GLN H 1 55 GLN QB 3.000 . 3.500 2.469 2.324 2.550 . 0 0 "[ . 1 . 2]" 1
401 1 55 GLN H 1 55 GLN HG2 4.000 . 5.000 2.652 2.331 3.088 . 0 0 "[ . 1 . 2]" 1
402 1 55 GLN H 1 55 GLN HG3 4.000 . 5.000 3.926 3.682 4.246 . 0 0 "[ . 1 . 2]" 1
403 1 55 GLN H 1 56 VAL H 3.000 . 3.500 2.308 2.099 2.467 . 0 0 "[ . 1 . 2]" 1
404 1 55 GLN H 1 56 VAL MG2 4.000 . 5.000 3.608 3.277 3.861 . 0 0 "[ . 1 . 2]" 1
405 1 55 GLN QB 1 56 VAL MG1 4.000 . 5.000 3.083 2.804 3.383 . 0 0 "[ . 1 . 2]" 1
406 1 55 GLN QB 1 56 VAL MG2 4.000 . 5.000 4.165 3.779 4.429 . 0 0 "[ . 1 . 2]" 1
407 1 55 GLN HB2 1 56 VAL H 4.000 . 5.000 3.192 2.551 3.819 . 0 0 "[ . 1 . 2]" 1
408 1 55 GLN HB3 1 56 VAL H 4.000 . 5.000 4.054 3.651 4.375 . 0 0 "[ . 1 . 2]" 1
409 1 55 GLN HG2 1 56 VAL H 4.000 . 6.000 4.575 4.266 4.918 . 0 0 "[ . 1 . 2]" 1
410 1 55 GLN HG2 1 56 VAL MG1 4.000 . 6.000 5.262 4.934 5.657 . 0 0 "[ . 1 . 2]" 1
411 1 55 GLN HG2 1 56 VAL MG2 4.000 . 6.000 5.725 5.256 6.002 0.002 7 0 "[ . 1 . 2]" 1
412 1 55 GLN HG3 1 56 VAL H 4.000 . 6.000 5.372 4.842 5.845 . 0 0 "[ . 1 . 2]" 1
413 1 55 GLN HG3 1 56 VAL MG1 4.000 . 6.000 5.256 4.926 5.614 . 0 0 "[ . 1 . 2]" 1
414 1 56 VAL H 1 56 VAL MG2 3.000 . 3.500 2.181 2.058 2.374 . 0 0 "[ . 1 . 2]" 1
415 1 56 VAL H 1 65 THR MG 4.000 . 6.000 5.172 4.945 5.506 . 0 0 "[ . 1 . 2]" 1
416 1 56 VAL HA 1 56 VAL MG1 3.000 . 3.500 2.402 2.358 2.455 . 0 0 "[ . 1 . 2]" 1
417 1 56 VAL HA 1 57 PHE H 3.000 . 3.500 2.288 2.092 2.496 . 0 0 "[ . 1 . 2]" 1
418 1 56 VAL HA 1 57 PHE QD 4.000 . 5.000 3.345 3.056 3.881 . 0 0 "[ . 1 . 2]" 1
419 1 56 VAL HA 1 67 TYR HA 4.000 . 5.000 2.522 2.188 3.056 . 0 0 "[ . 1 . 2]" 1
420 1 56 VAL HA 1 67 TYR QD 4.000 . 5.000 3.520 2.427 4.724 . 0 0 "[ . 1 . 2]" 1
421 1 56 VAL HB 1 57 PHE H 4.000 . 5.000 2.669 2.192 3.556 . 0 0 "[ . 1 . 2]" 1
422 1 56 VAL HB 1 57 PHE QD 4.000 . 6.000 5.129 4.703 5.626 . 0 0 "[ . 1 . 2]" 1
423 1 56 VAL HB 1 58 PRO HD2 4.000 . 6.000 5.238 4.681 6.120 0.120 3 0 "[ . 1 . 2]" 1
424 1 56 VAL HB 1 65 THR HB 4.000 . 6.000 4.188 1.758 5.421 0.042 3 0 "[ . 1 . 2]" 1
425 1 56 VAL HB 1 65 THR MG 3.000 . 3.500 2.391 1.968 2.985 . 0 0 "[ . 1 . 2]" 1
426 1 56 VAL HB 1 67 TYR QD 4.000 . 5.000 4.250 3.469 4.939 . 0 0 "[ . 1 . 2]" 1
427 1 56 VAL MG1 1 57 PHE H 4.000 . 5.000 3.796 3.607 4.024 . 0 0 "[ . 1 . 2]" 1
428 1 56 VAL MG1 1 58 PRO HD3 4.000 . 6.000 4.915 4.536 5.625 . 0 0 "[ . 1 . 2]" 1
429 1 56 VAL MG1 1 65 THR HB 4.000 . 6.000 4.528 2.829 5.418 . 0 0 "[ . 1 . 2]" 1
430 1 56 VAL MG1 1 65 THR MG 3.000 . 3.500 3.064 2.483 3.550 0.050 3 0 "[ . 1 . 2]" 1
431 1 56 VAL MG1 1 66 PHE H 4.000 . 6.000 5.277 4.390 5.913 . 0 0 "[ . 1 . 2]" 1
432 1 56 VAL MG1 1 67 TYR HA 4.000 . 5.000 3.029 1.810 3.997 . 0 0 "[ . 1 . 2]" 1
433 1 56 VAL MG1 1 67 TYR QB 4.000 . 6.000 3.686 2.909 4.541 . 0 0 "[ . 1 . 2]" 1
434 1 56 VAL MG1 1 67 TYR QD 4.000 . 5.000 2.172 1.729 2.899 0.071 2 0 "[ . 1 . 2]" 1
435 1 56 VAL MG1 1 67 TYR QE 4.000 . 5.000 2.874 2.085 3.637 . 0 0 "[ . 1 . 2]" 1
436 1 56 VAL MG2 1 57 PHE H 4.000 . 5.000 3.586 3.105 4.204 . 0 0 "[ . 1 . 2]" 1
437 1 56 VAL MG2 1 58 PRO HB3 4.000 . 5.000 4.331 3.859 5.039 0.039 3 0 "[ . 1 . 2]" 1
438 1 56 VAL MG2 1 58 PRO HD2 4.000 . 5.000 3.841 3.467 5.018 0.018 3 0 "[ . 1 . 2]" 1
439 1 56 VAL MG2 1 58 PRO HD3 4.000 . 5.000 2.469 2.168 3.503 . 0 0 "[ . 1 . 2]" 1
440 1 56 VAL MG2 1 58 PRO QG 4.000 . 5.000 3.549 2.373 4.108 . 0 0 "[ . 1 . 2]" 1
441 1 56 VAL MG2 1 67 TYR QE 4.000 . 6.000 5.120 4.649 5.768 . 0 0 "[ . 1 . 2]" 1
442 1 57 PHE H 1 57 PHE QD 4.000 . 5.000 2.999 2.380 3.361 . 0 0 "[ . 1 . 2]" 1
443 1 57 PHE H 1 65 THR HA 4.000 . 6.000 4.633 3.582 5.754 . 0 0 "[ . 1 . 2]" 1
444 1 57 PHE H 1 65 THR MG 4.000 . 6.000 3.485 2.634 4.744 . 0 0 "[ . 1 . 2]" 1
445 1 57 PHE H 1 66 PHE H 4.000 . 5.000 3.282 2.470 4.184 . 0 0 "[ . 1 . 2]" 1
446 1 57 PHE H 1 66 PHE HB2 4.000 . 6.000 3.853 3.406 4.245 . 0 0 "[ . 1 . 2]" 1
447 1 57 PHE H 1 67 TYR HA 4.000 . 5.000 3.356 2.738 3.755 . 0 0 "[ . 1 . 2]" 1
448 1 57 PHE H 1 68 SER H 4.000 . 5.000 4.264 3.517 4.928 . 0 0 "[ . 1 . 2]" 1
449 1 57 PHE HA 1 57 PHE QD 4.000 . 5.000 2.915 2.703 3.153 . 0 0 "[ . 1 . 2]" 1
450 1 57 PHE HA 1 58 PRO HD2 3.000 . 3.500 2.254 2.070 2.762 . 0 0 "[ . 1 . 2]" 1
451 1 57 PHE HA 1 58 PRO HD3 3.000 . 3.500 2.711 2.087 2.942 . 0 0 "[ . 1 . 2]" 1
452 1 57 PHE HB2 1 58 PRO HD2 4.000 . 6.000 5.031 4.897 5.397 . 0 0 "[ . 1 . 2]" 1
453 1 57 PHE HB2 1 66 PHE H 4.000 . 5.000 3.980 3.374 5.094 0.094 13 0 "[ . 1 . 2]" 1
454 1 57 PHE HB2 1 66 PHE HB2 4.000 . 5.000 2.861 2.178 3.767 . 0 0 "[ . 1 . 2]" 1
455 1 57 PHE HB2 1 66 PHE HB3 4.000 . 5.000 4.076 3.483 4.629 . 0 0 "[ . 1 . 2]" 1
456 1 57 PHE HB2 1 66 PHE QD 4.000 . 6.000 4.418 3.903 5.388 . 0 0 "[ . 1 . 2]" 1
457 1 57 PHE HB2 1 68 SER H 4.000 . 5.000 3.696 3.093 4.637 . 0 0 "[ . 1 . 2]" 1
458 1 57 PHE HB2 1 72 LEU H 4.000 . 5.000 3.951 3.689 4.312 . 0 0 "[ . 1 . 2]" 1
459 1 57 PHE HB2 1 72 LEU HB2 4.000 . 5.000 2.534 2.250 2.728 . 0 0 "[ . 1 . 2]" 1
460 1 57 PHE HB2 1 72 LEU MD1 4.000 . 5.000 3.601 3.024 4.424 . 0 0 "[ . 1 . 2]" 1
461 1 57 PHE HB2 1 72 LEU MD2 4.000 . 5.000 3.438 3.161 3.704 . 0 0 "[ . 1 . 2]" 1
462 1 57 PHE HB3 1 58 PRO HD2 4.000 . 5.000 4.278 4.087 4.659 . 0 0 "[ . 1 . 2]" 1
463 1 57 PHE HB3 1 59 CYS HA 4.000 . 6.000 5.741 5.444 6.064 0.064 11 0 "[ . 1 . 2]" 1
464 1 57 PHE HB3 1 66 PHE H 4.000 . 6.000 4.928 4.450 5.682 . 0 0 "[ . 1 . 2]" 1
465 1 57 PHE HB3 1 72 LEU HB2 4.000 . 5.000 2.138 1.795 2.495 0.005 9 0 "[ . 1 . 2]" 1
466 1 57 PHE HB3 1 72 LEU HB3 4.000 . 5.000 3.406 3.113 3.746 . 0 0 "[ . 1 . 2]" 1
467 1 57 PHE HB3 1 72 LEU MD1 4.000 . 6.000 2.572 1.945 3.514 . 0 0 "[ . 1 . 2]" 1
468 1 57 PHE HB3 1 72 LEU MD2 4.000 . 6.000 1.928 1.712 2.139 0.088 11 0 "[ . 1 . 2]" 1
469 1 57 PHE QD 1 67 TYR HA 4.000 . 5.000 3.484 2.506 4.731 . 0 0 "[ . 1 . 2]" 1
470 1 57 PHE QD 1 68 SER H 4.000 . 5.000 3.224 2.204 4.210 . 0 0 "[ . 1 . 2]" 1
471 1 57 PHE QD 1 68 SER HA 4.000 . 5.000 3.257 2.113 3.675 . 0 0 "[ . 1 . 2]" 1
472 1 57 PHE QD 1 69 SER HA 4.000 . 5.000 3.478 3.156 3.710 . 0 0 "[ . 1 . 2]" 1
473 1 57 PHE QD 1 69 SER QB 4.000 . 6.000 3.972 3.225 4.980 . 0 0 "[ . 1 . 2]" 1
474 1 57 PHE QD 1 72 LEU MD2 4.000 . 5.000 2.391 1.946 2.959 . 0 0 "[ . 1 . 2]" 1
475 1 57 PHE QE 1 68 SER H 4.000 . 6.000 4.948 4.046 5.979 . 0 0 "[ . 1 . 2]" 1
476 1 57 PHE QE 1 68 SER HA 4.000 . 5.000 3.449 2.974 3.931 . 0 0 "[ . 1 . 2]" 1
477 1 57 PHE QE 1 69 SER H 4.000 . 5.000 3.642 3.355 3.872 . 0 0 "[ . 1 . 2]" 1
478 1 57 PHE QE 1 69 SER HA 4.000 . 5.000 4.259 3.682 4.857 . 0 0 "[ . 1 . 2]" 1
479 1 57 PHE QE 1 69 SER QB 4.000 . 5.000 3.698 2.956 4.510 . 0 0 "[ . 1 . 2]" 1
480 1 57 PHE HZ 1 69 SER QB 4.000 . 5.000 4.115 3.170 5.025 0.025 13 0 "[ . 1 . 2]" 1
481 1 58 PRO HA 1 59 CYS H 3.000 . 3.500 2.184 2.145 2.236 . 0 0 "[ . 1 . 2]" 1
482 1 58 PRO HA 1 65 THR HA 3.000 . 3.500 1.869 1.728 2.120 0.072 7 0 "[ . 1 . 2]" 1
483 1 58 PRO HA 1 65 THR HB 4.000 . 5.000 4.630 4.266 5.081 0.081 16 0 "[ . 1 . 2]" 1
484 1 58 PRO HA 1 65 THR MG 3.000 . 3.500 3.044 2.563 3.440 . 0 0 "[ . 1 . 2]" 1
485 1 58 PRO HA 1 66 PHE H 4.000 . 5.000 2.762 1.764 3.402 0.036 13 0 "[ . 1 . 2]" 1
486 1 58 PRO HB2 1 59 CYS H 4.000 . 5.000 3.737 3.308 4.049 . 0 0 "[ . 1 . 2]" 1
487 1 58 PRO HB2 1 65 THR HA 4.000 . 5.000 3.927 3.084 4.572 . 0 0 "[ . 1 . 2]" 1
488 1 58 PRO HB2 1 65 THR MG 4.000 . 5.000 3.960 3.471 4.583 . 0 0 "[ . 1 . 2]" 1
489 1 58 PRO HB3 1 59 CYS H 4.000 . 5.000 4.142 3.901 4.329 . 0 0 "[ . 1 . 2]" 1
490 1 58 PRO HB3 1 65 THR HA 4.000 . 5.000 2.828 2.052 3.566 . 0 0 "[ . 1 . 2]" 1
491 1 58 PRO HB3 1 65 THR HB 4.000 . 5.000 4.420 4.064 4.754 . 0 0 "[ . 1 . 2]" 1
492 1 58 PRO HB3 1 65 THR MG 4.000 . 5.000 2.454 1.971 3.153 . 0 0 "[ . 1 . 2]" 1
493 1 58 PRO HD3 1 65 THR MG 4.000 . 5.000 2.897 2.478 3.456 . 0 0 "[ . 1 . 2]" 1
494 1 58 PRO HD3 1 72 LEU MD2 4.000 . 6.000 5.643 5.343 6.022 0.022 14 0 "[ . 1 . 2]" 1
495 1 58 PRO QG 1 65 THR MG 4.000 . 5.000 3.296 1.960 3.851 . 0 0 "[ . 1 . 2]" 1
496 1 58 PRO HG2 1 65 THR MG 4.000 . 5.000 4.449 3.515 4.929 . 0 0 "[ . 1 . 2]" 1
497 1 58 PRO HG3 1 65 THR MG 4.000 . 5.000 3.407 1.970 4.020 . 0 0 "[ . 1 . 2]" 1
498 1 59 CYS H 1 59 CYS HB2 3.000 . 3.500 2.682 2.537 2.843 . 0 0 "[ . 1 . 2]" 1
499 1 59 CYS H 1 59 CYS HB3 3.000 . 3.500 2.420 2.281 2.565 . 0 0 "[ . 1 . 2]" 1
500 1 59 CYS H 1 60 LYS H 4.000 . 5.000 4.436 4.340 4.594 . 0 0 "[ . 1 . 2]" 1
501 1 59 CYS H 1 65 THR H 4.000 . 6.000 5.140 4.854 5.633 . 0 0 "[ . 1 . 2]" 1
502 1 59 CYS H 1 65 THR HA 4.000 . 5.000 3.348 2.822 3.738 . 0 0 "[ . 1 . 2]" 1
503 1 59 CYS H 1 65 THR MG 4.000 . 5.000 4.847 4.393 5.184 0.184 16 0 "[ . 1 . 2]" 1
504 1 59 CYS H 1 72 LEU MD1 4.000 . 5.000 3.177 3.021 3.481 . 0 0 "[ . 1 . 2]" 1
505 1 59 CYS HA 1 60 LYS H 3.000 . 3.500 2.165 2.074 2.238 . 0 0 "[ . 1 . 2]" 1
506 1 59 CYS HA 1 60 LYS HA 4.000 . 5.000 4.259 4.148 4.417 . 0 0 "[ . 1 . 2]" 1
507 1 59 CYS HA 1 60 LYS QB 4.000 . 5.000 4.466 4.271 4.622 . 0 0 "[ . 1 . 2]" 1
508 1 59 CYS HA 1 60 LYS QE 4.000 . 6.000 5.067 4.106 6.282 0.282 14 0 "[ . 1 . 2]" 1
509 1 59 CYS HA 1 61 TYR H 4.000 . 5.000 4.321 3.973 4.703 . 0 0 "[ . 1 . 2]" 1
510 1 59 CYS HA 1 62 CYS H 4.000 . 6.000 5.083 4.809 5.264 . 0 0 "[ . 1 . 2]" 1
511 1 59 CYS HA 1 72 LEU MD1 3.000 . 3.500 2.019 1.760 2.311 0.040 12 0 "[ . 1 . 2]" 1
512 1 59 CYS HA 1 72 LEU MD2 4.000 . 5.000 4.549 4.353 4.788 . 0 0 "[ . 1 . 2]" 1
513 1 59 CYS HA 1 72 LEU HG 4.000 . 5.000 4.211 3.712 4.550 . 0 0 "[ . 1 . 2]" 1
514 1 59 CYS HB2 1 60 LYS H 4.000 . 5.000 4.354 4.154 4.556 . 0 0 "[ . 1 . 2]" 1
515 1 59 CYS HB2 1 62 CYS H 4.000 . 6.000 5.467 4.827 5.838 . 0 0 "[ . 1 . 2]" 1
516 1 59 CYS HB2 1 64 ALA MB 4.000 . 5.000 3.959 3.303 5.034 0.034 9 0 "[ . 1 . 2]" 1
517 1 59 CYS HB2 1 66 PHE QE 4.000 . 5.000 2.277 1.819 3.001 . 0 0 "[ . 1 . 2]" 1
518 1 59 CYS HB2 1 72 LEU MD1 4.000 . 5.000 2.867 2.321 3.372 . 0 0 "[ . 1 . 2]" 1
519 1 59 CYS HB2 1 75 HIS HD2 4.000 . 6.000 5.604 5.185 6.035 0.035 10 0 "[ . 1 . 2]" 1
520 1 59 CYS HB2 1 76 ILE MD 4.000 . 6.000 4.424 3.686 4.898 . 0 0 "[ . 1 . 2]" 1
521 1 59 CYS HB2 1 76 ILE HG12 4.000 . 5.000 4.735 3.961 5.126 0.126 2 0 "[ . 1 . 2]" 1
522 1 59 CYS HB3 1 60 LYS H 4.000 . 5.000 4.445 4.280 4.551 . 0 0 "[ . 1 . 2]" 1
523 1 59 CYS HB3 1 61 TYR H 4.000 . 5.000 4.776 4.018 5.131 0.131 5 0 "[ . 1 . 2]" 1
524 1 59 CYS HB3 1 62 CYS H 4.000 . 5.000 4.118 3.352 4.533 . 0 0 "[ . 1 . 2]" 1
525 1 59 CYS HB3 1 64 ALA MB 4.000 . 5.000 2.761 2.158 3.573 . 0 0 "[ . 1 . 2]" 1
526 1 59 CYS HB3 1 66 PHE QE 4.000 . 6.000 2.523 2.103 3.194 . 0 0 "[ . 1 . 2]" 1
527 1 59 CYS HB3 1 72 LEU MD1 4.000 . 5.000 4.006 3.740 4.305 . 0 0 "[ . 1 . 2]" 1
528 1 59 CYS HB3 1 75 HIS HD2 4.000 . 6.000 5.679 5.370 6.073 0.073 7 0 "[ . 1 . 2]" 1
529 1 60 LYS H 1 60 LYS QB 3.000 . 3.500 2.526 2.396 2.826 . 0 0 "[ . 1 . 2]" 1
530 1 60 LYS H 1 60 LYS HG2 4.000 . 5.000 2.933 1.887 3.962 . 0 0 "[ . 1 . 2]" 1
531 1 60 LYS H 1 60 LYS QG 3.000 . 3.500 2.197 1.870 3.302 . 0 0 "[ . 1 . 2]" 1
532 1 60 LYS H 1 60 LYS HG3 4.000 . 5.000 2.692 1.884 3.567 . 0 0 "[ . 1 . 2]" 1
533 1 60 LYS H 1 61 TYR H 3.000 . 3.500 2.997 2.722 3.487 . 0 0 "[ . 1 . 2]" 1
534 1 60 LYS H 1 76 ILE MD 4.000 . 5.000 3.714 2.108 4.576 . 0 0 "[ . 1 . 2]" 1
535 1 60 LYS HA 1 60 LYS QD 4.000 . 5.000 4.016 2.206 4.618 . 0 0 "[ . 1 . 2]" 1
536 1 60 LYS QB 1 60 LYS QE 4.000 . 5.000 3.057 1.938 3.863 . 0 0 "[ . 1 . 2]" 1
537 1 60 LYS QB 1 61 TYR QE 4.000 . 6.000 3.921 3.131 5.110 . 0 0 "[ . 1 . 2]" 1
538 1 60 LYS QD 1 61 TYR QD 4.000 . 6.000 4.735 3.705 6.136 0.136 9 0 "[ . 1 . 2]" 1
539 1 60 LYS QD 1 61 TYR QE 4.000 . 6.000 3.990 2.824 5.720 . 0 0 "[ . 1 . 2]" 1
540 1 60 LYS QE 1 76 ILE MD 4.000 . 5.000 4.044 2.126 5.088 0.088 11 0 "[ . 1 . 2]" 1
541 1 60 LYS QG 1 61 TYR H 4.000 . 5.000 3.704 2.089 4.843 . 0 0 "[ . 1 . 2]" 1
542 1 60 LYS QG 1 61 TYR QE 4.000 . 5.000 4.257 3.087 5.107 0.107 13 0 "[ . 1 . 2]" 1
543 1 61 TYR H 1 61 TYR QD 4.000 . 5.000 2.564 1.989 3.086 . 0 0 "[ . 1 . 2]" 1
544 1 61 TYR H 1 61 TYR QE 4.000 . 5.000 4.235 3.848 4.661 . 0 0 "[ . 1 . 2]" 1
545 1 61 TYR H 1 62 CYS H 3.000 . 3.500 2.429 1.876 2.592 . 0 0 "[ . 1 . 2]" 1
546 1 61 TYR HA 1 61 TYR QD 3.000 . 3.500 2.841 2.466 3.273 . 0 0 "[ . 1 . 2]" 1
547 1 61 TYR HA 1 61 TYR QE 4.000 . 5.000 4.755 4.501 5.044 0.044 8 0 "[ . 1 . 2]" 1
548 1 61 TYR QB 1 62 CYS HB2 4.000 . 6.000 5.210 4.929 5.557 . 0 0 "[ . 1 . 2]" 1
549 1 61 TYR QD 1 62 CYS H 4.000 . 5.000 4.242 3.321 4.787 . 0 0 "[ . 1 . 2]" 1
550 1 61 TYR QD 1 76 ILE MG 4.000 . 5.000 4.292 3.109 5.213 0.213 8 0 "[ . 1 . 2]" 1
551 1 61 TYR QD 1 80 HIS HB2 4.000 . 6.000 4.710 2.946 6.089 0.089 2 0 "[ . 1 . 2]" 1
552 1 61 TYR QD 1 83 GLU QB 4.000 . 6.000 4.226 2.859 5.585 . 0 0 "[ . 1 . 2]" 1
553 1 61 TYR QE 1 76 ILE MD 4.000 . 5.000 3.306 2.164 5.097 0.097 16 0 "[ . 1 . 2]" 1
554 1 61 TYR QE 1 76 ILE HG12 4.000 . 5.000 3.422 1.776 5.008 0.024 15 0 "[ . 1 . 2]" 1
555 1 61 TYR QE 1 76 ILE MG 4.000 . 5.000 3.355 2.140 4.511 . 0 0 "[ . 1 . 2]" 1
556 1 61 TYR QE 1 83 GLU QB 4.000 . 5.000 3.548 2.610 4.864 . 0 0 "[ . 1 . 2]" 1
557 1 61 TYR QE 1 83 GLU QG 4.000 . 6.000 3.510 1.767 4.893 0.033 16 0 "[ . 1 . 2]" 1
558 1 62 CYS H 1 63 PRO QD 4.000 . 6.000 4.431 4.338 4.506 . 0 0 "[ . 1 . 2]" 1
559 1 62 CYS HA 1 63 PRO HD2 3.000 . 3.500 2.445 2.146 2.836 . 0 0 "[ . 1 . 2]" 1
560 1 62 CYS HA 1 63 PRO QD 3.000 . 3.500 2.188 2.047 2.337 . 0 0 "[ . 1 . 2]" 1
561 1 62 CYS HA 1 63 PRO HD3 3.000 . 3.500 2.511 2.379 2.661 . 0 0 "[ . 1 . 2]" 1
562 1 62 CYS HA 1 63 PRO HG2 4.000 . 5.000 4.606 4.356 4.889 . 0 0 "[ . 1 . 2]" 1
563 1 62 CYS HA 1 63 PRO HG3 4.000 . 5.000 4.652 4.561 4.761 . 0 0 "[ . 1 . 2]" 1
564 1 62 CYS HA 1 80 HIS HE1 4.000 . 6.000 3.796 3.430 4.353 . 0 0 "[ . 1 . 2]" 1
565 1 62 CYS HB2 1 63 PRO HD2 4.000 . 5.000 2.466 2.087 2.977 . 0 0 "[ . 1 . 2]" 1
566 1 62 CYS HB2 1 63 PRO HD3 4.000 . 5.000 3.825 3.275 4.314 . 0 0 "[ . 1 . 2]" 1
567 1 62 CYS HB2 1 63 PRO HG2 4.000 . 5.000 4.225 4.048 4.464 . 0 0 "[ . 1 . 2]" 1
568 1 62 CYS HB2 1 80 HIS HE1 4.000 . 5.000 3.569 3.278 3.876 . 0 0 "[ . 1 . 2]" 1
569 1 62 CYS HB3 1 63 PRO HD2 4.000 . 5.000 3.785 3.511 3.991 . 0 0 "[ . 1 . 2]" 1
570 1 62 CYS HB3 1 63 PRO QD 4.000 . 5.000 3.639 3.378 3.820 . 0 0 "[ . 1 . 2]" 1
571 1 62 CYS HB3 1 63 PRO HD3 4.000 . 5.000 4.730 4.393 5.031 0.031 2 0 "[ . 1 . 2]" 1
572 1 62 CYS HB3 1 80 HIS HE1 4.000 . 5.000 1.871 1.615 2.134 0.185 11 0 "[ . 1 . 2]" 1
573 1 63 PRO HA 1 64 ALA HA 4.000 . 6.000 4.621 4.392 4.924 . 0 0 "[ . 1 . 2]" 1
574 1 63 PRO QD 1 64 ALA H 4.000 . 5.000 3.946 2.847 4.718 . 0 0 "[ . 1 . 2]" 1
575 1 63 PRO HG2 1 64 ALA HA 4.000 . 6.000 5.054 4.207 5.619 . 0 0 "[ . 1 . 2]" 1
576 1 63 PRO HG2 1 64 ALA MB 4.000 . 5.000 4.623 4.088 4.861 . 0 0 "[ . 1 . 2]" 1
577 1 64 ALA H 1 64 ALA MB 3.000 . 3.500 2.519 2.240 2.809 . 0 0 "[ . 1 . 2]" 1
578 1 64 ALA H 1 65 THR H 4.000 . 6.000 3.996 3.607 4.424 . 0 0 "[ . 1 . 2]" 1
579 1 64 ALA HA 1 65 THR H 3.000 . 3.500 2.193 2.147 2.289 . 0 0 "[ . 1 . 2]" 1
580 1 64 ALA HA 1 65 THR HB 4.000 . 6.000 4.990 4.645 5.787 . 0 0 "[ . 1 . 2]" 1
581 1 64 ALA MB 1 65 THR HA 4.000 . 5.000 4.426 4.371 4.470 . 0 0 "[ . 1 . 2]" 1
582 1 64 ALA MB 1 65 THR HB 4.000 . 6.000 5.678 5.464 6.057 0.057 6 0 "[ . 1 . 2]" 1
583 1 64 ALA MB 1 66 PHE QE 3.000 . 3.500 2.845 2.561 3.286 . 0 0 "[ . 1 . 2]" 1
584 1 64 ALA MB 1 66 PHE HZ 4.000 . 5.000 3.202 2.595 3.881 . 0 0 "[ . 1 . 2]" 1
585 1 64 ALA MB 1 75 HIS HD2 4.000 . 5.000 4.261 3.660 4.883 . 0 0 "[ . 1 . 2]" 1
586 1 64 ALA MB 1 75 HIS HE1 4.000 . 5.000 4.158 3.600 4.804 . 0 0 "[ . 1 . 2]" 1
587 1 65 THR H 1 65 THR MG 4.000 . 5.000 3.606 2.747 3.867 . 0 0 "[ . 1 . 2]" 1
588 1 65 THR HA 1 65 THR MG 3.000 . 3.500 2.375 2.231 2.461 . 0 0 "[ . 1 . 2]" 1
589 1 65 THR HA 1 66 PHE H 3.000 . 3.500 2.146 2.085 2.224 . 0 0 "[ . 1 . 2]" 1
590 1 65 THR HA 1 66 PHE QD 4.000 . 5.000 3.699 3.427 3.959 . 0 0 "[ . 1 . 2]" 1
591 1 65 THR HB 1 66 PHE H 4.000 . 5.000 3.959 2.822 4.377 . 0 0 "[ . 1 . 2]" 1
592 1 65 THR MG 1 66 PHE H 3.000 . 3.500 3.035 2.437 3.747 0.247 19 0 "[ . 1 . 2]" 1
593 1 65 THR MG 1 66 PHE QD 4.000 . 5.000 4.915 4.605 5.109 0.109 3 0 "[ . 1 . 2]" 1
594 1 66 PHE H 1 66 PHE HB2 3.000 . 3.500 2.573 2.435 2.770 . 0 0 "[ . 1 . 2]" 1
595 1 66 PHE H 1 66 PHE QD 3.000 . 3.500 2.727 2.413 3.133 . 0 0 "[ . 1 . 2]" 1
596 1 66 PHE HA 1 66 PHE QD 4.000 . 5.000 2.895 2.804 3.062 . 0 0 "[ . 1 . 2]" 1
597 1 66 PHE HB2 1 68 SER H 4.000 . 5.000 3.306 2.925 3.880 . 0 0 "[ . 1 . 2]" 1
598 1 66 PHE HB2 1 72 LEU H 4.000 . 5.000 3.405 3.010 3.730 . 0 0 "[ . 1 . 2]" 1
599 1 66 PHE HB2 1 72 LEU HA 4.000 . 5.000 3.293 2.765 3.708 . 0 0 "[ . 1 . 2]" 1
600 1 66 PHE HB2 1 72 LEU HB2 4.000 . 5.000 3.299 2.928 3.504 . 0 0 "[ . 1 . 2]" 1
601 1 66 PHE HB2 1 72 LEU HB3 4.000 . 5.000 4.663 4.237 5.001 0.001 1 0 "[ . 1 . 2]" 1
602 1 66 PHE HB2 1 72 LEU MD1 4.000 . 5.000 4.087 3.592 4.341 . 0 0 "[ . 1 . 2]" 1
603 1 66 PHE HB2 1 72 LEU MD2 4.000 . 5.000 5.074 4.787 5.181 0.181 16 0 "[ . 1 . 2]" 1
604 1 66 PHE HB3 1 68 SER H 3.000 . 3.500 2.574 2.322 3.109 . 0 0 "[ . 1 . 2]" 1
605 1 66 PHE HB3 1 72 LEU HB2 4.000 . 5.000 4.572 4.327 4.786 . 0 0 "[ . 1 . 2]" 1
606 1 66 PHE QD 1 68 SER H 4.000 . 6.000 4.518 4.261 4.984 . 0 0 "[ . 1 . 2]" 1
607 1 66 PHE QD 1 68 SER QB 4.000 . 6.000 5.057 4.451 5.994 . 0 0 "[ . 1 . 2]" 1
608 1 66 PHE QD 1 72 LEU MD1 3.000 . 3.500 3.356 2.856 3.588 0.088 13 0 "[ . 1 . 2]" 1
609 1 66 PHE QE 1 72 LEU HA 4.000 . 5.000 3.676 3.128 3.986 . 0 0 "[ . 1 . 2]" 1
610 1 66 PHE QE 1 72 LEU MD1 4.000 . 5.000 4.231 3.603 4.677 . 0 0 "[ . 1 . 2]" 1
611 1 66 PHE QE 1 75 HIS HB2 4.000 . 5.000 2.591 2.233 3.200 . 0 0 "[ . 1 . 2]" 1
612 1 66 PHE QE 1 75 HIS HB3 4.000 . 5.000 3.286 2.848 3.868 . 0 0 "[ . 1 . 2]" 1
613 1 66 PHE HZ 1 75 HIS HB2 4.000 . 5.000 2.559 2.103 3.320 . 0 0 "[ . 1 . 2]" 1
614 1 67 TYR HA 1 67 TYR QD 3.000 . 3.500 2.695 2.279 3.196 . 0 0 "[ . 1 . 2]" 1
615 1 68 SER H 1 69 SER H 4.000 . 5.000 4.330 4.148 4.426 . 0 0 "[ . 1 . 2]" 1
616 1 68 SER H 1 72 LEU H 4.000 . 6.000 4.452 4.064 4.888 . 0 0 "[ . 1 . 2]" 1
617 1 68 SER HA 1 69 SER H 3.000 . 3.500 2.218 2.177 2.323 . 0 0 "[ . 1 . 2]" 1
618 1 68 SER HA 1 70 PRO HD2 4.000 . 5.000 3.516 3.276 3.871 . 0 0 "[ . 1 . 2]" 1
619 1 68 SER HA 1 70 PRO HD3 4.000 . 6.000 4.844 4.282 5.343 . 0 0 "[ . 1 . 2]" 1
620 1 68 SER QB 1 69 SER HA 4.000 . 5.000 4.715 4.549 5.015 0.015 5 0 "[ . 1 . 2]" 1
621 1 68 SER QB 1 70 PRO HD2 3.000 . 3.500 2.320 1.812 3.361 . 0 0 "[ . 1 . 2]" 1
622 1 68 SER QB 1 70 PRO HD3 4.000 . 5.000 3.831 3.226 4.893 . 0 0 "[ . 1 . 2]" 1
623 1 68 SER QB 1 70 PRO QG 4.000 . 5.000 2.911 1.854 4.546 . 0 0 "[ . 1 . 2]" 1
624 1 68 SER QB 1 71 GLY H 4.000 . 5.000 2.754 2.221 3.317 . 0 0 "[ . 1 . 2]" 1
625 1 68 SER QB 1 72 LEU H 4.000 . 6.000 4.375 3.737 4.907 . 0 0 "[ . 1 . 2]" 1
626 1 69 SER HA 1 72 LEU H 4.000 . 6.000 3.347 2.903 4.182 . 0 0 "[ . 1 . 2]" 1
627 1 69 SER HA 1 72 LEU HB3 4.000 . 5.000 2.665 2.025 3.932 . 0 0 "[ . 1 . 2]" 1
628 1 69 SER HA 1 72 LEU MD2 4.000 . 5.000 3.113 2.725 4.186 . 0 0 "[ . 1 . 2]" 1
629 1 69 SER QB 1 70 PRO HD3 3.000 . 3.500 2.765 1.987 3.623 0.123 6 0 "[ . 1 . 2]" 1
630 1 70 PRO HA 1 73 THR H 4.000 . 5.000 3.660 3.351 3.929 . 0 0 "[ . 1 . 2]" 1
631 1 70 PRO HA 1 73 THR HB 4.000 . 5.000 3.406 2.561 4.951 . 0 0 "[ . 1 . 2]" 1
632 1 70 PRO HA 1 73 THR MG 4.000 . 5.000 3.988 2.230 4.978 . 0 0 "[ . 1 . 2]" 1
633 1 70 PRO HA 1 74 ARG H 4.000 . 5.000 4.330 3.885 4.652 . 0 0 "[ . 1 . 2]" 1
634 1 70 PRO HB2 1 71 GLY H 4.000 . 5.000 2.896 2.347 3.468 . 0 0 "[ . 1 . 2]" 1
635 1 70 PRO HB2 1 71 GLY HA2 4.000 . 5.000 4.116 3.950 4.377 . 0 0 "[ . 1 . 2]" 1
636 1 70 PRO HD2 1 71 GLY H 4.000 . 5.000 3.024 2.464 3.501 . 0 0 "[ . 1 . 2]" 1
637 1 70 PRO HD3 1 71 GLY H 4.000 . 5.000 4.142 3.863 4.409 . 0 0 "[ . 1 . 2]" 1
638 1 70 PRO QG 1 71 GLY H 4.000 . 5.000 3.059 2.312 3.909 . 0 0 "[ . 1 . 2]" 1
639 1 71 GLY H 1 72 LEU H 3.000 . 3.500 2.697 2.600 2.801 . 0 0 "[ . 1 . 2]" 1
640 1 71 GLY HA2 1 74 ARG H 4.000 . 5.000 3.378 3.189 3.681 . 0 0 "[ . 1 . 2]" 1
641 1 71 GLY HA2 1 74 ARG HB2 4.000 . 5.000 2.527 2.147 4.855 . 0 0 "[ . 1 . 2]" 1
642 1 71 GLY HA3 1 73 THR H 4.000 . 6.000 4.915 4.726 5.174 . 0 0 "[ . 1 . 2]" 1
643 1 72 LEU H 1 72 LEU HB2 3.000 . 3.500 2.547 2.431 2.675 . 0 0 "[ . 1 . 2]" 1
644 1 72 LEU H 1 72 LEU HB3 3.000 . 3.500 2.357 2.272 2.467 . 0 0 "[ . 1 . 2]" 1
645 1 72 LEU H 1 72 LEU MD2 4.000 . 5.000 4.218 4.180 4.297 . 0 0 "[ . 1 . 2]" 1
646 1 72 LEU H 1 72 LEU HG 4.000 . 5.000 4.434 4.368 4.499 . 0 0 "[ . 1 . 2]" 1
647 1 72 LEU H 1 73 THR H 3.000 . 3.500 2.855 2.716 2.986 . 0 0 "[ . 1 . 2]" 1
648 1 72 LEU HA 1 72 LEU MD1 3.000 . 3.500 2.331 2.184 2.458 . 0 0 "[ . 1 . 2]" 1
649 1 72 LEU HA 1 72 LEU MD2 4.000 . 5.000 4.009 3.943 4.073 . 0 0 "[ . 1 . 2]" 1
650 1 72 LEU HA 1 75 HIS H 4.000 . 5.000 4.128 3.887 4.478 . 0 0 "[ . 1 . 2]" 1
651 1 72 LEU HA 1 75 HIS HB2 4.000 . 6.000 4.299 3.674 4.835 . 0 0 "[ . 1 . 2]" 1
652 1 72 LEU HA 1 75 HIS HB3 4.000 . 6.000 4.796 4.255 5.317 . 0 0 "[ . 1 . 2]" 1
653 1 72 LEU HB2 1 73 THR H 4.000 . 5.000 3.771 3.666 3.882 . 0 0 "[ . 1 . 2]" 1
654 1 72 LEU HB3 1 72 LEU MD2 3.000 . 3.500 2.345 2.302 2.388 . 0 0 "[ . 1 . 2]" 1
655 1 72 LEU HB3 1 73 THR H 4.000 . 5.000 2.347 2.196 2.493 . 0 0 "[ . 1 . 2]" 1
656 1 72 LEU HB3 1 75 HIS H 4.000 . 6.000 5.920 5.608 6.124 0.124 12 0 "[ . 1 . 2]" 1
657 1 72 LEU MD1 1 75 HIS HB2 4.000 . 6.000 5.057 4.506 5.660 . 0 0 "[ . 1 . 2]" 1
658 1 72 LEU MD1 1 75 HIS HB3 4.000 . 5.000 4.799 4.326 5.077 0.077 10 0 "[ . 1 . 2]" 1
659 1 72 LEU MD1 1 76 ILE H 4.000 . 6.000 5.071 4.446 5.682 . 0 0 "[ . 1 . 2]" 1
660 1 72 LEU MD1 1 76 ILE MD 4.000 . 5.000 3.003 2.160 3.810 . 0 0 "[ . 1 . 2]" 1
661 1 72 LEU MD1 1 76 ILE HG13 4.000 . 5.000 3.866 2.871 4.719 . 0 0 "[ . 1 . 2]" 1
662 1 72 LEU MD2 1 73 THR H 4.000 . 5.000 3.897 3.680 4.083 . 0 0 "[ . 1 . 2]" 1
663 1 72 LEU MD2 1 73 THR HA 4.000 . 5.000 4.661 4.437 4.882 . 0 0 "[ . 1 . 2]" 1
664 1 72 LEU HG 1 73 THR H 4.000 . 5.000 3.282 3.059 3.504 . 0 0 "[ . 1 . 2]" 1
665 1 72 LEU HG 1 73 THR HA 4.000 . 5.000 3.445 3.216 3.721 . 0 0 "[ . 1 . 2]" 1
666 1 72 LEU HG 1 75 HIS H 4.000 . 6.000 5.804 5.505 6.058 0.058 10 0 "[ . 1 . 2]" 1
667 1 72 LEU HG 1 76 ILE MD 3.000 . 3.500 3.021 2.281 3.644 0.144 14 0 "[ . 1 . 2]" 1
668 1 73 THR H 1 73 THR HB 3.000 . 3.500 2.609 2.540 2.709 . 0 0 "[ . 1 . 2]" 1
669 1 73 THR H 1 73 THR MG 4.000 . 5.000 3.451 2.021 3.804 . 0 0 "[ . 1 . 2]" 1
670 1 73 THR H 1 74 ARG H 3.000 . 3.500 2.597 2.463 2.738 . 0 0 "[ . 1 . 2]" 1
671 1 73 THR HA 1 73 THR MG 3.000 . 3.500 2.588 2.337 3.276 . 0 0 "[ . 1 . 2]" 1
672 1 73 THR HA 1 75 HIS H 4.000 . 5.000 4.308 3.964 4.658 . 0 0 "[ . 1 . 2]" 1
673 1 73 THR HA 1 76 ILE H 4.000 . 5.000 3.518 3.242 4.055 . 0 0 "[ . 1 . 2]" 1
674 1 73 THR HA 1 76 ILE HB 4.000 . 5.000 2.853 2.464 3.662 . 0 0 "[ . 1 . 2]" 1
675 1 73 THR HA 1 76 ILE MD 4.000 . 5.000 2.376 1.901 3.370 . 0 0 "[ . 1 . 2]" 1
676 1 73 THR HA 1 76 ILE HG13 4.000 . 5.000 3.234 2.695 4.329 . 0 0 "[ . 1 . 2]" 1
677 1 73 THR HA 1 76 ILE MG 4.000 . 5.000 4.122 3.637 4.776 . 0 0 "[ . 1 . 2]" 1
678 1 73 THR HA 1 77 ASN H 4.000 . 6.000 4.293 3.668 5.013 . 0 0 "[ . 1 . 2]" 1
679 1 73 THR HB 1 74 ARG H 4.000 . 5.000 3.191 2.615 4.205 . 0 0 "[ . 1 . 2]" 1
680 1 73 THR HB 1 74 ARG QG 4.000 . 6.000 4.202 3.426 5.458 . 0 0 "[ . 1 . 2]" 1
681 1 73 THR HB 1 75 HIS H 4.000 . 6.000 5.480 5.113 6.054 0.054 17 0 "[ . 1 . 2]" 1
682 1 73 THR MG 1 74 ARG H 4.000 . 5.000 3.606 2.371 4.083 . 0 0 "[ . 1 . 2]" 1
683 1 73 THR MG 1 74 ARG HA 4.000 . 5.000 3.797 3.325 4.193 . 0 0 "[ . 1 . 2]" 1
684 1 73 THR MG 1 74 ARG QG 4.000 . 5.000 4.162 2.563 5.149 0.149 12 0 "[ . 1 . 2]" 1
685 1 73 THR MG 1 75 HIS H 4.000 . 6.000 5.125 4.522 5.558 . 0 0 "[ . 1 . 2]" 1
686 1 73 THR MG 1 77 ASN QD 4.000 . 5.000 2.770 1.811 3.875 . 0 0 "[ . 1 . 2]" 1
687 1 74 ARG H 1 74 ARG HB2 3.000 . 3.500 2.454 2.121 3.617 0.117 12 0 "[ . 1 . 2]" 1
688 1 74 ARG H 1 74 ARG QG 3.000 . 3.500 2.648 2.319 3.679 0.179 19 0 "[ . 1 . 2]" 1
689 1 74 ARG H 1 75 HIS H 3.000 . 3.500 2.751 2.639 2.835 . 0 0 "[ . 1 . 2]" 1
690 1 74 ARG HA 1 74 ARG QG 3.000 . 3.500 2.513 2.294 3.384 . 0 0 "[ . 1 . 2]" 1
691 1 74 ARG HA 1 77 ASN H 4.000 . 5.000 3.478 2.822 4.067 . 0 0 "[ . 1 . 2]" 1
692 1 74 ARG HA 1 77 ASN HB2 4.000 . 5.000 2.857 2.017 3.541 . 0 0 "[ . 1 . 2]" 1
693 1 74 ARG HA 1 77 ASN HB3 4.000 . 5.000 4.395 2.688 5.061 0.061 8 0 "[ . 1 . 2]" 1
694 1 74 ARG HA 1 78 LYS H 4.000 . 5.000 3.849 3.404 4.350 . 0 0 "[ . 1 . 2]" 1
695 1 74 ARG HB2 1 75 HIS H 4.000 . 5.000 3.068 2.619 4.108 . 0 0 "[ . 1 . 2]" 1
696 1 74 ARG HB2 1 75 HIS HB2 4.000 . 6.000 4.770 4.072 5.843 . 0 0 "[ . 1 . 2]" 1
697 1 74 ARG HB3 1 75 HIS H 4.000 . 5.000 3.691 3.047 4.164 . 0 0 "[ . 1 . 2]" 1
698 1 74 ARG HB3 1 78 LYS H 4.000 . 6.000 4.984 4.574 5.946 . 0 0 "[ . 1 . 2]" 1
699 1 75 HIS H 1 75 HIS HB2 3.000 . 3.500 2.389 2.205 2.549 . 0 0 "[ . 1 . 2]" 1
700 1 75 HIS H 1 75 HIS HB3 3.000 . 3.500 3.051 2.884 3.346 . 0 0 "[ . 1 . 2]" 1
701 1 75 HIS H 1 76 ILE H 3.000 . 3.500 2.552 2.440 2.630 . 0 0 "[ . 1 . 2]" 1
702 1 75 HIS H 1 78 LYS H 4.000 . 5.000 4.769 4.558 4.960 . 0 0 "[ . 1 . 2]" 1
703 1 75 HIS HA 1 78 LYS H 4.000 . 5.000 3.602 3.148 3.890 . 0 0 "[ . 1 . 2]" 1
704 1 75 HIS HA 1 78 LYS QB 4.000 . 5.000 3.122 2.195 3.805 . 0 0 "[ . 1 . 2]" 1
705 1 75 HIS HA 1 79 CYS H 4.000 . 5.000 2.929 2.467 3.646 . 0 0 "[ . 1 . 2]" 1
706 1 75 HIS HB2 1 76 ILE H 4.000 . 5.000 3.645 3.212 3.934 . 0 0 "[ . 1 . 2]" 1
707 1 75 HIS HB3 1 76 ILE H 4.000 . 5.000 2.873 2.518 3.350 . 0 0 "[ . 1 . 2]" 1
708 1 75 HIS HE1 1 79 CYS HB2 4.000 . 6.000 4.516 2.655 6.048 0.048 14 0 "[ . 1 . 2]" 1
709 1 75 HIS HE1 1 79 CYS QB 4.000 . 5.000 3.442 2.556 4.207 . 0 0 "[ . 1 . 2]" 1
710 1 75 HIS HE1 1 79 CYS HB3 4.000 . 6.000 3.669 3.124 4.666 . 0 0 "[ . 1 . 2]" 1
711 1 76 ILE H 1 76 ILE HB 3.000 . 3.500 2.540 2.306 2.638 . 0 0 "[ . 1 . 2]" 1
712 1 76 ILE H 1 76 ILE MD 4.000 . 5.000 3.575 3.373 3.833 . 0 0 "[ . 1 . 2]" 1
713 1 76 ILE H 1 76 ILE HG12 4.000 . 5.000 3.349 3.156 3.651 . 0 0 "[ . 1 . 2]" 1
714 1 76 ILE H 1 76 ILE HG13 3.000 . 3.500 2.092 1.896 2.467 . 0 0 "[ . 1 . 2]" 1
715 1 76 ILE H 1 77 ASN H 3.000 . 3.500 2.724 2.537 2.904 . 0 0 "[ . 1 . 2]" 1
716 1 76 ILE HA 1 76 ILE MD 4.000 . 5.000 3.906 3.829 3.989 . 0 0 "[ . 1 . 2]" 1
717 1 76 ILE HA 1 76 ILE MG 3.000 . 3.500 2.487 2.418 2.602 . 0 0 "[ . 1 . 2]" 1
718 1 76 ILE HA 1 80 HIS HB2 4.000 . 5.000 2.959 2.302 3.594 . 0 0 "[ . 1 . 2]" 1
719 1 76 ILE HB 1 76 ILE MD 3.000 . 3.500 2.489 2.450 2.532 . 0 0 "[ . 1 . 2]" 1
720 1 76 ILE HB 1 77 ASN H 3.000 . 3.500 2.643 2.160 3.176 . 0 0 "[ . 1 . 2]" 1
721 1 76 ILE HB 1 78 LYS H 4.000 . 6.000 5.081 4.596 5.604 . 0 0 "[ . 1 . 2]" 1
722 1 76 ILE MD 1 77 ASN H 4.000 . 5.000 4.639 4.271 5.018 0.018 15 0 "[ . 1 . 2]" 1
723 1 76 ILE MD 1 80 HIS HB2 4.000 . 6.000 5.686 5.057 6.150 0.150 2 0 "[ . 1 . 2]" 1
724 1 76 ILE HG12 1 76 ILE MG 3.000 . 3.500 2.474 2.415 2.538 . 0 0 "[ . 1 . 2]" 1
725 1 76 ILE HG12 1 77 ASN H 4.000 . 6.000 5.010 4.807 5.194 . 0 0 "[ . 1 . 2]" 1
726 1 76 ILE MG 1 77 ASN H 4.000 . 5.000 3.476 2.889 4.011 . 0 0 "[ . 1 . 2]" 1
727 1 76 ILE MG 1 77 ASN HA 4.000 . 5.000 3.597 3.097 4.098 . 0 0 "[ . 1 . 2]" 1
728 1 76 ILE MG 1 80 HIS H 4.000 . 6.000 4.976 4.171 5.661 . 0 0 "[ . 1 . 2]" 1
729 1 76 ILE MG 1 80 HIS HB3 4.000 . 5.000 3.732 3.188 4.460 . 0 0 "[ . 1 . 2]" 1
730 1 76 ILE MG 1 81 PRO HA 4.000 . 6.000 3.840 2.555 5.811 . 0 0 "[ . 1 . 2]" 1
731 1 76 ILE MG 1 83 GLU QB 4.000 . 5.000 3.985 2.501 5.198 0.198 9 0 "[ . 1 . 2]" 1
732 1 76 ILE MG 1 83 GLU QG 4.000 . 5.000 3.308 2.060 4.775 . 0 0 "[ . 1 . 2]" 1
733 1 77 ASN H 1 77 ASN HB2 3.000 . 3.500 2.433 2.304 2.562 . 0 0 "[ . 1 . 2]" 1
734 1 77 ASN H 1 78 LYS H 3.000 . 3.500 2.607 2.398 2.972 . 0 0 "[ . 1 . 2]" 1
735 1 77 ASN HB2 1 78 LYS H 4.000 . 5.000 2.868 2.374 3.810 . 0 0 "[ . 1 . 2]" 1
736 1 77 ASN HB2 1 78 LYS QB 4.000 . 5.000 3.877 3.349 5.098 0.098 9 0 "[ . 1 . 2]" 1
737 1 77 ASN HB2 1 79 CYS H 4.000 . 6.000 5.377 4.822 6.112 0.112 9 0 "[ . 1 . 2]" 1
738 1 77 ASN HB3 1 78 LYS H 4.000 . 5.000 3.650 2.585 4.117 . 0 0 "[ . 1 . 2]" 1
739 1 77 ASN HB3 1 78 LYS QB 4.000 . 5.000 4.391 3.604 5.021 0.021 6 0 "[ . 1 . 2]" 1
740 1 78 LYS H 1 78 LYS QB 3.000 . 3.500 2.299 2.252 2.336 . 0 0 "[ . 1 . 2]" 1
741 1 78 LYS H 1 78 LYS QG 4.000 . 5.000 4.051 3.999 4.155 . 0 0 "[ . 1 . 2]" 1
742 1 78 LYS H 1 79 CYS H 3.000 . 3.500 2.540 2.376 2.671 . 0 0 "[ . 1 . 2]" 1
743 1 78 LYS HA 1 78 LYS QD 4.000 . 5.000 3.543 2.192 4.330 . 0 0 "[ . 1 . 2]" 1
744 1 78 LYS HA 1 78 LYS QE 4.000 . 5.000 4.513 2.836 5.088 0.088 17 0 "[ . 1 . 2]" 1
745 1 78 LYS QB 1 79 CYS H 3.000 . 3.500 2.347 2.222 2.592 . 0 0 "[ . 1 . 2]" 1
746 1 78 LYS QB 1 79 CYS HA 4.000 . 5.000 4.328 4.105 4.569 . 0 0 "[ . 1 . 2]" 1
747 1 78 LYS QB 1 80 HIS H 4.000 . 5.000 4.362 4.102 4.652 . 0 0 "[ . 1 . 2]" 1
748 1 78 LYS QG 1 79 CYS H 4.000 . 5.000 3.411 3.158 4.147 . 0 0 "[ . 1 . 2]" 1
749 1 78 LYS QG 1 79 CYS HA 4.000 . 5.000 3.658 3.245 4.632 . 0 0 "[ . 1 . 2]" 1
750 1 79 CYS H 1 79 CYS QB 3.000 . 3.500 2.519 2.341 2.776 . 0 0 "[ . 1 . 2]" 1
751 1 79 CYS H 1 80 HIS H 3.000 . 3.500 2.286 1.934 2.521 . 0 0 "[ . 1 . 2]" 1
752 1 79 CYS H 1 81 PRO HD3 4.000 . 5.000 4.224 3.641 5.010 0.010 14 0 "[ . 1 . 2]" 1
753 1 79 CYS HA 1 81 PRO HD3 4.000 . 5.000 3.265 2.832 3.741 . 0 0 "[ . 1 . 2]" 1
754 1 79 CYS HB2 1 80 HIS H 4.000 . 5.000 4.243 3.256 4.637 . 0 0 "[ . 1 . 2]" 1
755 1 79 CYS HB3 1 80 HIS H 4.000 . 5.000 3.974 3.292 4.513 . 0 0 "[ . 1 . 2]" 1
756 1 80 HIS H 1 81 PRO HD2 4.000 . 5.000 3.840 3.406 4.672 . 0 0 "[ . 1 . 2]" 1
757 1 80 HIS H 1 81 PRO HD3 4.000 . 5.000 2.581 2.123 3.643 . 0 0 "[ . 1 . 2]" 1
758 1 80 HIS HA 1 81 PRO HD2 3.000 . 3.500 2.706 2.229 3.081 . 0 0 "[ . 1 . 2]" 1
759 1 80 HIS HA 1 81 PRO QG 4.000 . 5.000 4.364 4.023 4.610 . 0 0 "[ . 1 . 2]" 1
760 1 80 HIS HA 1 83 GLU QG 4.000 . 5.000 4.571 2.919 5.215 0.215 10 0 "[ . 1 . 2]" 1
761 1 80 HIS HB3 1 83 GLU HG2 4.000 . 5.000 4.262 3.166 5.047 0.047 6 0 "[ . 1 . 2]" 1
762 1 80 HIS HB3 1 83 GLU QG 4.000 . 5.000 3.796 3.009 4.467 . 0 0 "[ . 1 . 2]" 1
763 1 80 HIS HB3 1 83 GLU HG3 4.000 . 5.000 4.458 3.372 5.106 0.106 4 0 "[ . 1 . 2]" 1
764 1 81 PRO HA 1 82 SER QB 4.000 . 6.000 5.138 4.346 5.576 . 0 0 "[ . 1 . 2]" 1
765 1 81 PRO HA 1 83 GLU QG 4.000 . 6.000 4.237 2.409 5.546 . 0 0 "[ . 1 . 2]" 1
766 1 83 GLU H 1 83 GLU HG2 4.000 . 5.000 3.034 2.002 4.279 . 0 0 "[ . 1 . 2]" 1
767 1 83 GLU H 1 83 GLU HG3 4.000 . 5.000 3.357 2.151 4.616 . 0 0 "[ . 1 . 2]" 1
768 1 84 ASN HA 1 85 ARG H 3.000 . 3.500 2.688 2.172 3.581 0.081 5 0 "[ . 1 . 2]" 1
769 1 84 ASN QB 1 85 ARG QB 4.000 . 6.000 4.664 3.644 5.587 . 0 0 "[ . 1 . 2]" 1
770 1 85 ARG H 1 85 ARG QB 3.000 . 3.500 2.758 2.254 3.461 . 0 0 "[ . 1 . 2]" 1
771 1 85 ARG H 1 85 ARG QD 4.000 . 6.000 4.669 1.960 5.582 . 0 0 "[ . 1 . 2]" 1
772 1 85 ARG H 1 85 ARG QG 4.000 . 5.000 3.649 1.956 4.312 . 0 0 "[ . 1 . 2]" 1
773 1 85 ARG HA 1 85 ARG QD 4.000 . 5.000 3.965 2.035 4.623 . 0 0 "[ . 1 . 2]" 1
774 1 85 ARG QB 1 85 ARG QD 3.000 . 3.500 2.351 2.154 2.449 . 0 0 "[ . 1 . 2]" 1
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