NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627629 |
5vwe   |
30296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vwe
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 775
_Distance_constraint_stats_list.Viol_count 812
_Distance_constraint_stats_list.Viol_total 1482.799
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0266
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0913
_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 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 1.850 0.119 20 0 "[ . 1 . 2]"
1 6 TYR 0.022 0.015 11 0 "[ . 1 . 2]"
1 7 MET 2.606 0.280 5 0 "[ . 1 . 2]"
1 8 LEU 3.810 0.280 5 0 "[ . 1 . 2]"
1 9 TRP 11.646 0.278 8 0 "[ . 1 . 2]"
1 10 LEU 5.526 0.216 2 0 "[ . 1 . 2]"
1 11 ASN 2.197 0.141 2 0 "[ . 1 . 2]"
1 12 ALA 0.276 0.057 18 0 "[ . 1 . 2]"
1 13 SER 2.156 0.141 2 0 "[ . 1 . 2]"
1 14 ARG 3.321 0.142 13 0 "[ . 1 . 2]"
1 15 GLU 3.142 0.307 6 0 "[ . 1 . 2]"
1 16 LYS 2.684 0.307 6 0 "[ . 1 . 2]"
1 17 ILE 4.587 0.184 8 0 "[ . 1 . 2]"
1 18 LYS 2.401 0.279 8 0 "[ . 1 . 2]"
1 19 SER 0.587 0.184 14 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 HIS 2.392 0.168 16 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 5.066 0.325 18 0 "[ . 1 . 2]"
1 25 SER 0.859 0.056 16 0 "[ . 1 . 2]"
1 26 ILE 0.194 0.073 4 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.031 0.022 8 0 "[ . 1 . 2]"
1 29 LEU 7.073 0.316 15 0 "[ . 1 . 2]"
1 30 SER 1.120 0.358 15 0 "[ . 1 . 2]"
1 31 LYS 0.910 0.358 15 0 "[ . 1 . 2]"
1 32 LYS 9.895 0.325 18 0 "[ . 1 . 2]"
1 33 ALA 2.183 0.147 14 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 3.452 0.249 14 0 "[ . 1 . 2]"
1 36 ILE 3.659 0.168 16 0 "[ . 1 . 2]"
1 37 TRP 9.635 0.278 8 0 "[ . 1 . 2]"
1 38 LYS 0.092 0.047 16 0 "[ . 1 . 2]"
1 39 GLY 0.863 0.098 17 0 "[ . 1 . 2]"
1 40 MET 4.815 0.297 7 0 "[ . 1 . 2]"
1 41 SER 2.078 0.113 6 0 "[ . 1 . 2]"
1 42 LYS 3.529 0.312 8 0 "[ . 1 . 2]"
1 43 GLU 5.724 0.312 8 0 "[ . 1 . 2]"
1 44 LYS 4.219 0.296 8 0 "[ . 1 . 2]"
1 45 LYS 5.730 0.297 7 0 "[ . 1 . 2]"
1 46 GLU 3.311 0.258 8 0 "[ . 1 . 2]"
1 47 GLU 4.882 0.296 8 0 "[ . 1 . 2]"
1 48 TRP 4.006 0.173 10 0 "[ . 1 . 2]"
1 49 ASP 0.192 0.064 7 0 "[ . 1 . 2]"
1 50 ARG 0.010 0.010 18 0 "[ . 1 . 2]"
1 51 LYS 0.014 0.014 17 0 "[ . 1 . 2]"
1 52 ALA 0.382 0.064 13 0 "[ . 1 . 2]"
1 53 GLU 0.072 0.058 1 0 "[ . 1 . 2]"
1 54 ASP 0.185 0.064 14 0 "[ . 1 . 2]"
1 55 ALA 0.042 0.030 19 0 "[ . 1 . 2]"
1 56 ARG 0.116 0.053 1 0 "[ . 1 . 2]"
1 57 ARG 0.621 0.081 2 0 "[ . 1 . 2]"
1 58 ASP 0.151 0.067 8 0 "[ . 1 . 2]"
1 59 TYR 0.991 0.102 16 0 "[ . 1 . 2]"
1 60 GLU 0.665 0.113 14 0 "[ . 1 . 2]"
1 61 LYS 0.822 0.095 19 0 "[ . 1 . 2]"
1 62 ALA 1.067 0.286 14 0 "[ . 1 . 2]"
1 63 MET 4.477 0.286 14 0 "[ . 1 . 2]"
1 64 LYS 0.392 0.097 14 0 "[ . 1 . 2]"
1 65 GLU 0.377 0.095 19 0 "[ . 1 . 2]"
1 66 TYR 2.108 0.183 17 0 "[ . 1 . 2]"
1 67 GLU 1.121 0.183 17 0 "[ . 1 . 2]"
1 68 GLY 0.169 0.103 16 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 4 SER HA 1 5 ALA H 1.800 . 4.000 3.331 2.277 3.559 . 0 0 "[ . 1 . 2]" 1
2 1 4 SER HA 1 52 ALA MB 1.800 . 5.500 4.192 3.335 4.717 . 0 0 "[ . 1 . 2]" 1
3 1 5 ALA H 1 5 ALA HA 1.800 . 3.000 2.827 2.814 2.836 . 0 0 "[ . 1 . 2]" 1
4 1 5 ALA H 1 5 ALA MB 1.800 . 3.000 2.197 2.121 2.241 . 0 0 "[ . 1 . 2]" 1
5 1 5 ALA H 1 6 TYR H 1.800 . 3.000 2.594 2.561 2.631 . 0 0 "[ . 1 . 2]" 1
6 1 5 ALA HA 1 6 TYR H 1.800 . 4.000 3.507 3.496 3.518 . 0 0 "[ . 1 . 2]" 1
7 1 5 ALA HA 1 8 LEU QB 1.800 . 3.000 3.019 2.867 3.106 0.106 8 0 "[ . 1 . 2]" 1
8 1 5 ALA HA 1 8 LEU MD1 1.800 . 3.000 2.952 2.726 3.047 0.047 3 0 "[ . 1 . 2]" 1
9 1 5 ALA HA 1 52 ALA MB 1.800 . 4.000 3.690 2.905 4.064 0.064 13 0 "[ . 1 . 2]" 1
10 1 5 ALA MB 1 6 TYR H 1.800 . 3.000 2.540 2.482 2.645 . 0 0 "[ . 1 . 2]" 1
11 1 5 ALA MB 1 8 LEU MD1 1.800 . 4.500 4.172 3.976 4.277 . 0 0 "[ . 1 . 2]" 1
12 1 5 ALA MB 1 37 TRP HH2 1.800 . 4.000 3.978 3.675 4.119 0.119 20 0 "[ . 1 . 2]" 1
13 1 5 ALA MB 1 45 LYS QD 1.800 . 3.500 3.293 2.850 3.492 . 0 0 "[ . 1 . 2]" 1
14 1 5 ALA MB 1 45 LYS QE 1.800 . 4.000 2.653 2.372 3.237 . 0 0 "[ . 1 . 2]" 1
15 1 5 ALA MB 1 48 TRP H 1.800 . 4.000 3.844 3.583 4.086 0.086 7 0 "[ . 1 . 2]" 1
16 1 5 ALA MB 1 48 TRP HA 1.800 . 4.500 4.212 3.716 4.479 . 0 0 "[ . 1 . 2]" 1
17 1 5 ALA MB 1 48 TRP QB 1.800 . 3.000 1.937 1.823 2.023 . 0 0 "[ . 1 . 2]" 1
18 1 5 ALA MB 1 49 ASP H 1.800 . 4.500 2.667 2.276 2.905 . 0 0 "[ . 1 . 2]" 1
19 1 5 ALA MB 1 49 ASP HA 1.800 . 4.000 2.780 2.139 3.220 . 0 0 "[ . 1 . 2]" 1
20 1 5 ALA MB 1 49 ASP QB 1.800 . 3.500 2.699 2.044 3.403 . 0 0 "[ . 1 . 2]" 1
21 1 6 TYR H 1 6 TYR HA 1.800 . 3.000 2.822 2.806 2.834 . 0 0 "[ . 1 . 2]" 1
22 1 6 TYR H 1 6 TYR QB 1.800 . 3.000 2.180 2.172 2.189 . 0 0 "[ . 1 . 2]" 1
23 1 6 TYR H 1 6 TYR QD 1.800 . 4.500 4.147 4.142 4.155 . 0 0 "[ . 1 . 2]" 1
24 1 6 TYR H 1 7 MET H 1.800 . 3.000 2.672 2.624 2.716 . 0 0 "[ . 1 . 2]" 1
25 1 6 TYR HA 1 7 MET H 1.800 . 4.000 3.571 3.563 3.581 . 0 0 "[ . 1 . 2]" 1
26 1 6 TYR HA 1 9 TRP QB 1.800 . 4.500 2.495 2.446 2.559 . 0 0 "[ . 1 . 2]" 1
27 1 6 TYR QB 1 7 MET H 1.800 . 3.500 2.512 2.478 2.548 . 0 0 "[ . 1 . 2]" 1
28 1 6 TYR QD 1 37 TRP H 1.800 . 6.500 5.681 5.449 5.914 . 0 0 "[ . 1 . 2]" 1
29 1 6 TYR QE 1 10 LEU MD1 1.800 . 3.000 2.366 2.146 2.633 . 0 0 "[ . 1 . 2]" 1
30 1 6 TYR QE 1 10 LEU MD2 1.800 . 5.500 4.913 4.764 5.091 . 0 0 "[ . 1 . 2]" 1
31 1 6 TYR QE 1 33 ALA MB 1.800 . 6.000 3.240 2.787 3.736 . 0 0 "[ . 1 . 2]" 1
32 1 6 TYR QE 1 34 GLY QA 1.800 . 4.000 2.208 1.957 2.627 . 0 0 "[ . 1 . 2]" 1
33 1 6 TYR QE 1 37 TRP H 1.800 . 5.000 4.791 4.512 5.015 0.015 11 0 "[ . 1 . 2]" 1
34 1 6 TYR QE 1 37 TRP QB 1.800 . 4.000 3.218 2.992 3.561 . 0 0 "[ . 1 . 2]" 1
35 1 7 MET H 1 7 MET HA 1.800 . 3.000 2.823 2.817 2.837 . 0 0 "[ . 1 . 2]" 1
36 1 7 MET H 1 7 MET QB 1.800 . 3.000 2.312 2.235 2.565 . 0 0 "[ . 1 . 2]" 1
37 1 7 MET H 1 7 MET QG 1.800 . 4.500 3.121 2.106 4.016 . 0 0 "[ . 1 . 2]" 1
38 1 7 MET H 1 8 LEU H 1.800 . 3.000 2.781 2.751 2.808 . 0 0 "[ . 1 . 2]" 1
39 1 7 MET HA 1 7 MET ME 1.800 . 5.000 4.309 4.006 4.556 . 0 0 "[ . 1 . 2]" 1
40 1 7 MET HA 1 8 LEU H 1.800 . 4.000 3.584 3.577 3.592 . 0 0 "[ . 1 . 2]" 1
41 1 7 MET HA 1 10 LEU QB 1.800 . 3.000 2.807 2.721 2.915 . 0 0 "[ . 1 . 2]" 1
42 1 7 MET QB 1 7 MET ME 1.800 . 3.500 2.073 1.940 2.352 . 0 0 "[ . 1 . 2]" 1
43 1 7 MET QB 1 8 LEU H 1.800 . 3.000 2.491 2.444 2.543 . 0 0 "[ . 1 . 2]" 1
44 1 7 MET ME 1 7 MET QG 1.800 . 4.000 2.425 2.240 2.583 . 0 0 "[ . 1 . 2]" 1
45 1 7 MET ME 1 8 LEU QD 1.800 . 3.500 3.430 2.604 3.780 0.280 5 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 8 LEU HA 1.800 . 3.000 2.839 2.830 2.849 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 8 LEU QB 1.800 . 3.500 2.447 2.314 2.583 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 8 LEU MD2 1.800 . 5.000 3.423 3.072 3.752 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU H 1 8 LEU HG 1.800 . 3.500 2.283 2.076 2.542 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU H 1 9 TRP H 1.800 . 3.000 2.636 2.597 2.659 . 0 0 "[ . 1 . 2]" 1
51 1 8 LEU HA 1 9 TRP H 1.800 . 4.000 3.529 3.521 3.539 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HA 1 11 ASN QB 1.800 . 3.000 2.885 2.793 3.070 0.070 2 0 "[ . 1 . 2]" 1
53 1 8 LEU QB 1 9 TRP H 1.800 . 3.000 2.470 2.429 2.491 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU QB 1 48 TRP HE3 1.800 . 4.000 2.281 2.011 2.756 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU QB 1 48 TRP HZ3 1.800 . 3.000 2.772 2.156 3.033 0.033 6 0 "[ . 1 . 2]" 1
56 1 8 LEU QD 1 51 LYS QB 1.800 . 5.500 2.596 2.068 2.948 . 0 0 "[ . 1 . 2]" 1
57 1 8 LEU QD 1 52 ALA H 1.800 . 5.000 2.912 2.501 3.601 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU QD 1 55 ALA MB 1.800 . 5.000 3.644 3.068 4.043 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU MD1 1 9 TRP H 1.800 . 5.000 4.419 4.380 4.462 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU MD1 1 48 TRP HA 1.800 . 5.000 3.590 3.173 4.222 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU MD1 1 48 TRP HE3 1.800 . 3.000 2.710 2.500 3.018 0.018 1 0 "[ . 1 . 2]" 1
62 1 8 LEU MD1 1 48 TRP HZ3 1.800 . 4.000 3.861 3.530 4.056 0.056 17 0 "[ . 1 . 2]" 1
63 1 8 LEU MD1 1 52 ALA HA 1.800 . 3.500 2.529 2.215 2.984 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD1 1 52 ALA MB 1.800 . 3.000 2.080 1.854 2.892 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD2 1 11 ASN QB 1.800 . 5.000 3.891 3.742 4.120 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU MD2 1 48 TRP HZ3 1.800 . 5.000 4.119 3.693 4.441 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU HG 1 9 TRP H 1.800 . 5.000 4.278 4.042 4.494 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP H 1 9 TRP HA 1.800 . 3.000 2.827 2.819 2.833 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP H 1 9 TRP QB 1.800 . 3.500 2.152 2.145 2.160 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP H 1 9 TRP HE3 1.800 . 6.000 4.465 4.390 4.566 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP H 1 10 LEU H 1.800 . 3.000 2.658 2.640 2.682 . 0 0 "[ . 1 . 2]" 1
72 1 9 TRP H 1 48 TRP HE3 1.800 . 6.000 4.260 3.842 4.691 . 0 0 "[ . 1 . 2]" 1
73 1 9 TRP HA 1 9 TRP HD1 1.800 . 5.000 3.565 3.535 3.603 . 0 0 "[ . 1 . 2]" 1
74 1 9 TRP HA 1 10 LEU H 1.800 . 4.000 3.544 3.537 3.550 . 0 0 "[ . 1 . 2]" 1
75 1 9 TRP HA 1 12 ALA MB 1.800 . 3.000 3.006 2.955 3.057 0.057 18 0 "[ . 1 . 2]" 1
76 1 9 TRP HA 1 13 SER H 1.800 . 4.500 3.880 3.819 3.963 . 0 0 "[ . 1 . 2]" 1
77 1 9 TRP QB 1 10 LEU H 1.800 . 3.500 2.527 2.445 2.584 . 0 0 "[ . 1 . 2]" 1
78 1 9 TRP HD1 1 40 MET ME 1.800 . 4.500 2.397 2.254 2.608 . 0 0 "[ . 1 . 2]" 1
79 1 9 TRP HD1 1 48 TRP HE1 1.800 . 3.500 2.231 1.858 2.581 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HE1 1 36 ILE MG 1.800 . 5.500 3.606 3.479 3.693 . 0 0 "[ . 1 . 2]" 1
81 1 9 TRP HE1 1 40 MET ME 1.800 . 4.000 1.977 1.861 2.127 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP HE1 1 48 TRP HZ2 1.800 . 6.000 5.341 4.694 5.906 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HE3 1 10 LEU H 1.800 . 4.000 2.521 2.454 2.589 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP HE3 1 10 LEU HA 1.800 . 3.000 2.085 2.044 2.162 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HE3 1 10 LEU MD2 1.800 . 4.000 4.167 4.117 4.216 0.216 2 0 "[ . 1 . 2]" 1
86 1 9 TRP HE3 1 10 LEU HG 1.800 . 4.000 3.341 3.269 3.394 . 0 0 "[ . 1 . 2]" 1
87 1 9 TRP HE3 1 33 ALA MB 1.800 . 4.500 3.534 3.368 3.692 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HH2 1 17 ILE MD 1.800 . 5.000 2.663 2.513 2.874 . 0 0 "[ . 1 . 2]" 1
89 1 9 TRP HH2 1 33 ALA HA 1.800 . 4.000 1.976 1.836 2.264 . 0 0 "[ . 1 . 2]" 1
90 1 9 TRP HH2 1 33 ALA MB 1.800 . 4.500 3.188 2.931 3.386 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HH2 1 36 ILE H 1.800 . 6.000 3.868 3.779 3.954 . 0 0 "[ . 1 . 2]" 1
92 1 9 TRP HH2 1 36 ILE HB 1.800 . 4.000 2.043 1.966 2.193 . 0 0 "[ . 1 . 2]" 1
93 1 9 TRP HH2 1 36 ILE MD 1.800 . 5.500 2.635 2.282 2.792 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP HH2 1 36 ILE MG 1.800 . 5.000 3.117 3.014 3.356 . 0 0 "[ . 1 . 2]" 1
95 1 9 TRP HH2 1 37 TRP H 1.800 . 3.500 3.552 3.443 3.649 0.149 11 0 "[ . 1 . 2]" 1
96 1 9 TRP HZ2 1 36 ILE HB 1.800 . 5.000 2.568 2.354 2.686 . 0 0 "[ . 1 . 2]" 1
97 1 9 TRP HZ2 1 36 ILE MD 1.800 . 5.500 3.393 3.170 3.590 . 0 0 "[ . 1 . 2]" 1
98 1 9 TRP HZ2 1 36 ILE MG 1.800 . 4.000 1.849 1.825 1.944 . 0 0 "[ . 1 . 2]" 1
99 1 9 TRP HZ2 1 37 TRP H 1.800 . 3.500 3.732 3.699 3.778 0.278 8 0 "[ . 1 . 2]" 1
100 1 9 TRP HZ2 1 40 MET ME 1.800 . 5.500 4.002 3.620 4.316 . 0 0 "[ . 1 . 2]" 1
101 1 9 TRP HZ3 1 10 LEU HA 1.800 . 4.000 2.813 2.738 2.875 . 0 0 "[ . 1 . 2]" 1
102 1 9 TRP HZ3 1 10 LEU MD2 1.800 . 4.500 3.806 3.704 3.870 . 0 0 "[ . 1 . 2]" 1
103 1 9 TRP HZ3 1 17 ILE MD 1.800 . 3.000 3.113 3.030 3.184 0.184 8 0 "[ . 1 . 2]" 1
104 1 9 TRP HZ3 1 37 TRP H 1.800 . 5.500 4.982 4.903 5.049 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU H 1 10 LEU HA 1.800 . 3.000 2.823 2.815 2.831 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU H 1 10 LEU QB 1.800 . 4.000 2.163 2.151 2.175 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU H 1 11 ASN H 1.800 . 3.000 2.699 2.679 2.721 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU HA 1 11 ASN H 1.800 . 4.000 3.571 3.565 3.578 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU HA 1 13 SER H 1.800 . 4.000 3.533 3.487 3.578 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU HA 1 13 SER QB 1.800 . 3.000 2.465 2.377 2.593 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HA 1 14 ARG H 1.800 . 4.500 3.721 3.671 3.761 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU QB 1 11 ASN H 1.800 . 3.000 2.558 2.535 2.587 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU MD1 1 14 ARG QB 1.800 . 5.000 4.561 4.450 4.659 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU MD1 1 33 ALA MB 1.800 . 3.000 2.955 2.817 3.054 0.054 4 0 "[ . 1 . 2]" 1
115 1 10 LEU MD2 1 14 ARG HA 1.800 . 3.000 3.099 3.047 3.142 0.142 13 0 "[ . 1 . 2]" 1
116 1 10 LEU MD2 1 14 ARG QB 1.800 . 3.000 2.218 2.126 2.290 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU MD2 1 33 ALA MB 1.800 . 3.000 2.944 2.837 3.052 0.052 11 0 "[ . 1 . 2]" 1
118 1 11 ASN H 1 11 ASN HA 1.800 . 3.000 2.816 2.813 2.821 . 0 0 "[ . 1 . 2]" 1
119 1 11 ASN H 1 11 ASN QB 1.800 . 3.000 2.286 2.226 2.376 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASN H 1 12 ALA H 1.800 . 3.000 2.750 2.725 2.772 . 0 0 "[ . 1 . 2]" 1
121 1 11 ASN HA 1 12 ALA H 1.800 . 4.000 3.554 3.547 3.557 . 0 0 "[ . 1 . 2]" 1
122 1 11 ASN HA 1 13 SER H 1.800 . 4.500 4.606 4.581 4.641 0.141 2 0 "[ . 1 . 2]" 1
123 1 11 ASN HA 1 14 ARG H 1.800 . 4.000 3.689 3.641 3.728 . 0 0 "[ . 1 . 2]" 1
124 1 11 ASN HA 1 14 ARG QB 1.800 . 3.000 2.899 2.833 2.954 . 0 0 "[ . 1 . 2]" 1
125 1 11 ASN QB 1 12 ALA H 1.800 . 3.000 2.477 2.425 2.532 . 0 0 "[ . 1 . 2]" 1
126 1 12 ALA H 1 12 ALA HA 1.800 . 3.000 2.863 2.860 2.866 . 0 0 "[ . 1 . 2]" 1
127 1 12 ALA H 1 12 ALA MB 1.800 . 3.500 2.185 2.112 2.232 . 0 0 "[ . 1 . 2]" 1
128 1 12 ALA H 1 13 SER H 1.800 . 3.000 2.521 2.502 2.535 . 0 0 "[ . 1 . 2]" 1
129 1 12 ALA H 1 14 ARG H 1.800 . 4.500 3.935 3.914 3.960 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA HA 1 13 SER H 1.800 . 4.000 3.517 3.506 3.522 . 0 0 "[ . 1 . 2]" 1
131 1 12 ALA HA 1 14 ARG H 1.800 . 4.500 4.230 4.199 4.284 . 0 0 "[ . 1 . 2]" 1
132 1 12 ALA MB 1 13 SER H 1.800 . 3.000 2.576 2.528 2.638 . 0 0 "[ . 1 . 2]" 1
133 1 12 ALA MB 1 48 TRP HH2 1.800 . 4.500 2.697 2.332 3.203 . 0 0 "[ . 1 . 2]" 1
134 1 12 ALA MB 1 48 TRP HZ2 1.800 . 6.000 3.726 3.284 4.109 . 0 0 "[ . 1 . 2]" 1
135 1 12 ALA MB 1 48 TRP HZ3 1.800 . 6.000 3.740 3.289 4.260 . 0 0 "[ . 1 . 2]" 1
136 1 13 SER H 1 13 SER HA 1.800 . 3.000 2.857 2.852 2.865 . 0 0 "[ . 1 . 2]" 1
137 1 13 SER H 1 13 SER QB 1.800 . 3.500 2.296 2.247 2.325 . 0 0 "[ . 1 . 2]" 1
138 1 13 SER H 1 14 ARG H 1.800 . 3.000 2.583 2.562 2.597 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER HA 1 14 ARG H 1.800 . 4.000 3.487 3.482 3.500 . 0 0 "[ . 1 . 2]" 1
140 1 13 SER HA 1 16 LYS H 1.800 . 4.000 3.274 3.197 3.351 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER HA 1 16 LYS QB 1.800 . 3.000 2.525 2.380 2.622 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER HA 1 17 ILE H 1.800 . 4.500 3.869 3.739 4.019 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER QB 1 14 ARG H 1.800 . 3.000 2.987 2.932 3.013 0.013 9 0 "[ . 1 . 2]" 1
144 1 13 SER QB 1 17 ILE MD 1.800 . 6.000 2.281 2.002 2.949 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG H 1 14 ARG HA 1.800 . 3.000 2.779 2.770 2.793 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG H 1 14 ARG QB 1.800 . 3.000 2.249 2.244 2.256 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 14 ARG QG 1.800 . 4.000 3.974 3.967 3.979 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG H 1 15 GLU H 1.800 . 3.000 2.873 2.828 2.899 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 15 GLU H 1.800 . 4.000 3.571 3.565 3.583 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HA 1 16 LYS H 1.800 . 4.500 4.559 4.463 4.612 0.112 14 0 "[ . 1 . 2]" 1
151 1 14 ARG HA 1 17 ILE H 1.800 . 4.000 3.681 3.629 3.742 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG HA 1 17 ILE HB 1.800 . 3.000 2.893 2.728 3.052 0.052 2 0 "[ . 1 . 2]" 1
153 1 14 ARG HA 1 17 ILE MD 1.800 . 3.500 2.722 2.467 2.956 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG HA 1 18 LYS H 1.800 . 4.500 3.853 3.704 4.077 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG HA 1 29 LEU QD 1.800 . 4.500 3.439 3.155 3.711 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG QB 1 15 GLU H 1.800 . 3.000 2.530 2.481 2.573 . 0 0 "[ . 1 . 2]" 1
157 1 14 ARG QB 1 29 LEU QD 1.800 . 6.000 4.191 3.920 4.469 . 0 0 "[ . 1 . 2]" 1
158 1 14 ARG QD 1 29 LEU QD 1.800 . 6.000 3.724 3.315 4.315 . 0 0 "[ . 1 . 2]" 1
159 1 14 ARG QG 1 15 GLU H 1.800 . 4.500 3.598 3.551 3.638 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLU H 1 15 GLU HA 1.800 . 3.000 2.845 2.838 2.855 . 0 0 "[ . 1 . 2]" 1
161 1 15 GLU H 1 15 GLU QB 1.800 . 3.000 2.328 2.236 2.661 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU H 1 15 GLU QG 1.800 . 4.000 3.209 1.886 4.033 0.033 11 0 "[ . 1 . 2]" 1
163 1 15 GLU H 1 16 LYS H 1.800 . 3.000 2.611 2.579 2.647 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HA 1 16 LYS H 1.800 . 3.500 3.540 3.525 3.548 0.048 14 0 "[ . 1 . 2]" 1
165 1 15 GLU HA 1 17 ILE H 1.800 . 4.500 4.597 4.545 4.643 0.143 9 0 "[ . 1 . 2]" 1
166 1 15 GLU HA 1 18 LYS H 1.800 . 4.000 3.648 3.598 3.688 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLU HA 1 18 LYS QB 1.800 . 3.000 2.749 2.636 2.888 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLU HA 1 19 SER H 1.800 . 4.500 3.926 3.768 4.151 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLU QB 1 16 LYS H 1.800 . 3.000 2.581 2.497 3.307 0.307 6 0 "[ . 1 . 2]" 1
170 1 15 GLU QG 1 16 LYS H 1.800 . 5.000 3.749 1.941 4.120 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS H 1 16 LYS HA 1.800 . 3.000 2.834 2.828 2.846 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS H 1 16 LYS QB 1.800 . 3.500 2.354 2.232 2.474 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS H 1 16 LYS QD 1.800 . 5.000 4.008 3.506 4.382 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS H 1 16 LYS QG 1.800 . 4.500 2.792 2.155 3.976 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 17 ILE H 1.800 . 3.000 2.692 2.659 2.720 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 18 LYS H 1.800 . 4.500 4.174 4.117 4.216 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS HA 1 17 ILE H 1.800 . 4.000 3.557 3.547 3.563 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS HA 1 18 LYS H 1.800 . 5.000 4.656 4.589 4.709 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS HA 1 19 SER H 1.800 . 4.000 3.709 3.585 3.781 . 0 0 "[ . 1 . 2]" 1
180 1 16 LYS HA 1 19 SER QB 1.800 . 3.000 2.921 2.756 3.184 0.184 14 0 "[ . 1 . 2]" 1
181 1 16 LYS HA 1 20 ASP H 1.800 . 4.500 4.084 3.828 4.332 . 0 0 "[ . 1 . 2]" 1
182 1 16 LYS QB 1 17 ILE H 1.800 . 3.000 2.463 2.417 2.518 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE H 1 17 ILE HA 1.800 . 3.000 2.831 2.824 2.840 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE H 1 17 ILE HB 1.800 . 3.000 2.524 2.456 2.588 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE H 1 17 ILE MD 1.800 . 5.000 3.402 3.297 3.497 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE H 1 17 ILE QG 1.800 . 4.000 2.139 2.036 2.261 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE H 1 17 ILE MG 1.800 . 5.000 3.773 3.761 3.781 . 0 0 "[ . 1 . 2]" 1
188 1 17 ILE H 1 18 LYS H 1.800 . 3.000 2.682 2.654 2.718 . 0 0 "[ . 1 . 2]" 1
189 1 17 ILE HA 1 18 LYS H 1.800 . 4.000 3.567 3.560 3.584 . 0 0 "[ . 1 . 2]" 1
190 1 17 ILE HA 1 19 SER H 1.800 . 4.500 4.497 4.425 4.566 0.066 18 0 "[ . 1 . 2]" 1
191 1 17 ILE HA 1 20 ASP H 1.800 . 4.000 3.508 3.434 3.616 . 0 0 "[ . 1 . 2]" 1
192 1 17 ILE HA 1 20 ASP QB 1.800 . 3.000 2.650 2.406 2.848 . 0 0 "[ . 1 . 2]" 1
193 1 17 ILE HA 1 21 HIS H 1.800 . 4.500 4.007 3.812 4.311 . 0 0 "[ . 1 . 2]" 1
194 1 17 ILE HA 1 21 HIS HD2 1.800 . 3.000 2.618 2.350 3.006 0.006 9 0 "[ . 1 . 2]" 1
195 1 17 ILE HA 1 36 ILE MD 1.800 . 6.500 4.120 3.714 4.604 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE HB 1 18 LYS H 1.800 . 3.500 2.596 2.541 2.638 . 0 0 "[ . 1 . 2]" 1
197 1 17 ILE HB 1 36 ILE MD 1.800 . 5.000 4.591 4.358 4.908 . 0 0 "[ . 1 . 2]" 1
198 1 17 ILE MD 1 18 LYS H 1.800 . 7.000 4.404 4.294 4.498 . 0 0 "[ . 1 . 2]" 1
199 1 17 ILE MD 1 33 ALA H 1.800 . 6.000 3.475 2.774 3.830 . 0 0 "[ . 1 . 2]" 1
200 1 17 ILE MD 1 33 ALA HA 1.800 . 3.500 2.499 2.185 2.809 . 0 0 "[ . 1 . 2]" 1
201 1 17 ILE MD 1 33 ALA MB 1.800 . 5.000 2.607 2.262 2.913 . 0 0 "[ . 1 . 2]" 1
202 1 17 ILE MD 1 36 ILE MD 1.800 . 3.000 2.302 2.055 2.580 . 0 0 "[ . 1 . 2]" 1
203 1 17 ILE MD 1 36 ILE MG 1.800 . 5.000 3.999 3.771 4.356 . 0 0 "[ . 1 . 2]" 1
204 1 17 ILE QG 1 18 LYS H 1.800 . 5.000 4.066 3.998 4.133 . 0 0 "[ . 1 . 2]" 1
205 1 17 ILE MG 1 21 HIS HD2 1.800 . 3.000 2.540 1.848 3.044 0.044 14 0 "[ . 1 . 2]" 1
206 1 17 ILE MG 1 36 ILE MD 1.800 . 5.000 3.051 2.888 3.445 . 0 0 "[ . 1 . 2]" 1
207 1 18 LYS H 1 18 LYS HA 1.800 . 3.000 2.820 2.811 2.829 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS H 1 18 LYS QB 1.800 . 3.500 2.292 2.215 2.388 . 0 0 "[ . 1 . 2]" 1
209 1 18 LYS H 1 18 LYS QD 1.800 . 5.500 4.168 3.797 4.410 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS H 1 18 LYS QG 1.800 . 5.000 3.345 2.333 3.984 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS H 1 19 SER H 1.800 . 3.000 2.709 2.686 2.734 . 0 0 "[ . 1 . 2]" 1
212 1 18 LYS H 1 29 LEU MD2 1.800 . 4.000 3.408 3.168 3.653 . 0 0 "[ . 1 . 2]" 1
213 1 18 LYS HA 1 19 SER H 1.800 . 4.000 3.554 3.548 3.561 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS HA 1 21 HIS H 1.800 . 4.000 3.461 3.309 3.584 . 0 0 "[ . 1 . 2]" 1
215 1 18 LYS HA 1 24 ILE MD 1.800 . 5.500 4.755 4.398 5.147 . 0 0 "[ . 1 . 2]" 1
216 1 18 LYS HA 1 24 ILE MG 1.800 . 3.500 2.681 2.447 2.898 . 0 0 "[ . 1 . 2]" 1
217 1 18 LYS HA 1 29 LEU MD2 1.800 . 3.000 2.597 2.206 2.947 . 0 0 "[ . 1 . 2]" 1
218 1 18 LYS QB 1 19 SER H 1.800 . 4.000 2.571 2.523 2.621 . 0 0 "[ . 1 . 2]" 1
219 1 18 LYS QB 1 29 LEU MD1 1.800 . 3.500 3.204 2.513 3.779 0.279 8 0 "[ . 1 . 2]" 1
220 1 18 LYS QB 1 29 LEU MD2 1.800 . 4.000 3.483 2.862 4.133 0.133 8 0 "[ . 1 . 2]" 1
221 1 18 LYS QD 1 24 ILE MG 1.800 . 6.000 4.537 4.190 4.751 . 0 0 "[ . 1 . 2]" 1
222 1 18 LYS QD 1 29 LEU QD 1.800 . 3.500 3.097 2.922 3.323 . 0 0 "[ . 1 . 2]" 1
223 1 18 LYS QE 1 26 ILE MD 1.800 . 6.000 4.788 2.185 6.073 0.073 4 0 "[ . 1 . 2]" 1
224 1 18 LYS QE 1 29 LEU MD1 1.800 . 4.500 3.099 1.800 4.552 0.052 13 0 "[ . 1 . 2]" 1
225 1 18 LYS QE 1 29 LEU QD 1.800 . 5.000 3.030 1.794 4.405 0.006 2 0 "[ . 1 . 2]" 1
226 1 18 LYS QG 1 19 SER H 1.800 . 6.000 3.952 3.676 4.237 . 0 0 "[ . 1 . 2]" 1
227 1 18 LYS QG 1 29 LEU MD1 1.800 . 3.000 2.536 1.815 3.055 0.055 14 0 "[ . 1 . 2]" 1
228 1 19 SER H 1 19 SER HA 1.800 . 3.000 2.841 2.824 2.857 . 0 0 "[ . 1 . 2]" 1
229 1 19 SER H 1 19 SER QB 1.800 . 3.500 2.387 2.203 2.536 . 0 0 "[ . 1 . 2]" 1
230 1 19 SER H 1 20 ASP H 1.800 . 3.000 2.626 2.558 2.687 . 0 0 "[ . 1 . 2]" 1
231 1 19 SER H 1 21 HIS H 1.800 . 4.500 3.954 3.856 4.022 . 0 0 "[ . 1 . 2]" 1
232 1 19 SER HA 1 20 ASP H 1.800 . 4.000 3.541 3.529 3.547 . 0 0 "[ . 1 . 2]" 1
233 1 19 SER HA 1 21 HIS H 1.800 . 4.500 4.281 4.142 4.413 . 0 0 "[ . 1 . 2]" 1
234 1 19 SER QB 1 20 ASP H 1.800 . 3.500 2.681 2.566 3.378 . 0 0 "[ . 1 . 2]" 1
235 1 20 ASP H 1 20 ASP HA 1.800 . 3.000 2.870 2.856 2.893 . 0 0 "[ . 1 . 2]" 1
236 1 20 ASP H 1 20 ASP QB 1.800 . 3.000 2.287 2.192 2.373 . 0 0 "[ . 1 . 2]" 1
237 1 20 ASP H 1 21 HIS H 1.800 . 3.000 2.521 2.440 2.564 . 0 0 "[ . 1 . 2]" 1
238 1 20 ASP H 1 21 HIS HD2 1.800 . 4.500 3.761 3.293 4.357 . 0 0 "[ . 1 . 2]" 1
239 1 20 ASP HA 1 21 HIS H 1.800 . 4.000 3.503 3.467 3.527 . 0 0 "[ . 1 . 2]" 1
240 1 20 ASP QB 1 21 HIS H 1.800 . 3.500 2.853 2.719 2.998 . 0 0 "[ . 1 . 2]" 1
241 1 20 ASP QB 1 21 HIS HD2 1.800 . 3.000 2.276 1.859 2.983 . 0 0 "[ . 1 . 2]" 1
242 1 21 HIS H 1 21 HIS HA 1.800 . 3.000 2.961 2.955 2.966 . 0 0 "[ . 1 . 2]" 1
243 1 21 HIS H 1 21 HIS HD2 1.800 . 5.000 2.740 2.472 3.184 . 0 0 "[ . 1 . 2]" 1
244 1 21 HIS H 1 22 PRO QD 1.800 . 4.500 3.211 3.033 3.449 . 0 0 "[ . 1 . 2]" 1
245 1 21 HIS H 1 24 ILE MD 1.800 . 6.000 5.228 4.783 5.636 . 0 0 "[ . 1 . 2]" 1
246 1 21 HIS H 1 24 ILE MG 1.800 . 5.000 4.069 3.801 4.309 . 0 0 "[ . 1 . 2]" 1
247 1 21 HIS HA 1 22 PRO QD 1.800 . 3.500 2.201 2.097 2.279 . 0 0 "[ . 1 . 2]" 1
248 1 21 HIS QB 1 21 HIS HD2 1.800 . 3.500 2.898 2.730 3.031 . 0 0 "[ . 1 . 2]" 1
249 1 21 HIS QB 1 24 ILE H 1.800 . 5.000 4.166 4.039 4.296 . 0 0 "[ . 1 . 2]" 1
250 1 21 HIS QB 1 24 ILE HB 1.800 . 3.000 2.660 2.320 3.048 0.048 7 0 "[ . 1 . 2]" 1
251 1 21 HIS QB 1 24 ILE MD 1.800 . 3.000 2.565 2.184 2.997 . 0 0 "[ . 1 . 2]" 1
252 1 21 HIS QB 1 24 ILE MG 1.800 . 3.000 2.247 1.991 2.707 . 0 0 "[ . 1 . 2]" 1
253 1 21 HIS HD2 1 32 LYS QE 1.800 . 5.500 4.580 3.100 5.531 0.031 2 0 "[ . 1 . 2]" 1
254 1 21 HIS HE1 1 32 LYS QE 1.800 . 6.000 3.645 2.850 4.661 . 0 0 "[ . 1 . 2]" 1
255 1 21 HIS HE1 1 36 ILE MD 1.800 . 5.000 5.109 5.059 5.168 0.168 16 0 "[ . 1 . 2]" 1
256 1 22 PRO HA 1 22 PRO QD 1.800 . 4.000 3.416 3.367 3.456 . 0 0 "[ . 1 . 2]" 1
257 1 22 PRO HA 1 23 GLY H 1.800 . 4.000 2.210 2.198 2.219 . 0 0 "[ . 1 . 2]" 1
258 1 22 PRO HA 1 24 ILE H 1.800 . 5.000 3.403 3.339 3.476 . 0 0 "[ . 1 . 2]" 1
259 1 23 GLY QA 1 24 ILE H 1.800 . 4.000 2.937 2.899 2.964 . 0 0 "[ . 1 . 2]" 1
260 1 24 ILE H 1 24 ILE HA 1.800 . 3.000 2.912 2.908 2.917 . 0 0 "[ . 1 . 2]" 1
261 1 24 ILE H 1 24 ILE HB 1.800 . 3.000 2.763 2.740 2.792 . 0 0 "[ . 1 . 2]" 1
262 1 24 ILE H 1 24 ILE MD 1.800 . 6.000 4.457 4.439 4.477 . 0 0 "[ . 1 . 2]" 1
263 1 24 ILE H 1 24 ILE QG 1.800 . 5.000 4.007 3.997 4.022 . 0 0 "[ . 1 . 2]" 1
264 1 24 ILE H 1 24 ILE MG 1.800 . 4.500 1.986 1.922 2.066 . 0 0 "[ . 1 . 2]" 1
265 1 24 ILE H 1 25 SER H 1.800 . 4.500 4.543 4.523 4.556 0.056 16 0 "[ . 1 . 2]" 1
266 1 24 ILE HA 1 25 SER H 1.800 . 3.000 2.174 2.150 2.191 . 0 0 "[ . 1 . 2]" 1
267 1 24 ILE HA 1 28 ASP H 1.800 . 7.000 6.124 5.956 6.329 . 0 0 "[ . 1 . 2]" 1
268 1 24 ILE HA 1 28 ASP QB 1.800 . 5.000 3.994 3.786 4.274 . 0 0 "[ . 1 . 2]" 1
269 1 24 ILE HB 1 25 SER H 1.800 . 4.500 4.115 4.074 4.170 . 0 0 "[ . 1 . 2]" 1
270 1 24 ILE MD 1 25 SER H 1.800 . 6.000 4.077 4.005 4.178 . 0 0 "[ . 1 . 2]" 1
271 1 24 ILE MD 1 28 ASP H 1.800 . 6.000 4.832 4.632 5.043 . 0 0 "[ . 1 . 2]" 1
272 1 24 ILE MD 1 28 ASP QB 1.800 . 3.000 2.223 2.020 2.882 . 0 0 "[ . 1 . 2]" 1
273 1 24 ILE MD 1 29 LEU H 1.800 . 5.000 3.719 3.494 4.007 . 0 0 "[ . 1 . 2]" 1
274 1 24 ILE MD 1 29 LEU HA 1.800 . 4.000 2.888 2.567 3.134 . 0 0 "[ . 1 . 2]" 1
275 1 24 ILE MD 1 29 LEU QB 1.800 . 5.500 4.258 4.080 4.514 . 0 0 "[ . 1 . 2]" 1
276 1 24 ILE MD 1 29 LEU QD 1.800 . 3.000 2.229 2.039 2.407 . 0 0 "[ . 1 . 2]" 1
277 1 24 ILE MD 1 29 LEU MD2 1.800 . 3.000 2.237 2.044 2.419 . 0 0 "[ . 1 . 2]" 1
278 1 24 ILE MD 1 29 LEU HG 1.800 . 4.000 3.261 3.106 3.559 . 0 0 "[ . 1 . 2]" 1
279 1 24 ILE MD 1 32 LYS H 1.800 . 5.500 4.341 4.116 4.612 . 0 0 "[ . 1 . 2]" 1
280 1 24 ILE MD 1 32 LYS QB 1.800 . 5.000 3.306 2.468 3.653 . 0 0 "[ . 1 . 2]" 1
281 1 24 ILE MD 1 32 LYS QD 1.800 . 5.500 2.271 1.898 3.373 . 0 0 "[ . 1 . 2]" 1
282 1 24 ILE MD 1 32 LYS QE 1.800 . 5.500 2.216 1.847 3.383 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE MD 1 32 LYS QG 1.800 . 5.500 2.785 1.876 3.602 . 0 0 "[ . 1 . 2]" 1
284 1 24 ILE QG 1 25 SER H 1.800 . 5.000 2.353 2.284 2.458 . 0 0 "[ . 1 . 2]" 1
285 1 24 ILE QG 1 28 ASP H 1.800 . 5.000 3.979 3.825 4.133 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE QG 1 28 ASP QB 1.800 . 3.000 2.073 1.914 2.236 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE MG 1 25 SER H 1.800 . 6.000 3.805 3.743 3.879 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE MG 1 28 ASP H 1.800 . 7.000 5.493 5.291 5.685 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE MG 1 28 ASP QB 1.800 . 5.000 3.931 3.754 4.138 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE MG 1 29 LEU H 1.800 . 5.000 4.098 3.923 4.245 . 0 0 "[ . 1 . 2]" 1
291 1 24 ILE MG 1 29 LEU HA 1.800 . 5.000 3.785 3.626 3.911 . 0 0 "[ . 1 . 2]" 1
292 1 24 ILE MG 1 29 LEU QB 1.800 . 5.000 3.864 3.812 3.911 . 0 0 "[ . 1 . 2]" 1
293 1 24 ILE MG 1 29 LEU QD 1.800 . 3.000 1.817 1.769 1.891 0.031 8 0 "[ . 1 . 2]" 1
294 1 24 ILE MG 1 29 LEU HG 1.800 . 3.000 2.062 2.034 2.109 . 0 0 "[ . 1 . 2]" 1
295 1 24 ILE MG 1 32 LYS QD 1.800 . 5.000 3.952 3.402 5.199 0.199 5 0 "[ . 1 . 2]" 1
296 1 24 ILE MG 1 32 LYS QE 1.800 . 5.000 4.297 3.820 4.798 . 0 0 "[ . 1 . 2]" 1
297 1 24 ILE MG 1 32 LYS QG 1.800 . 5.000 4.869 3.773 5.325 0.325 18 0 "[ . 1 . 2]" 1
298 1 25 SER H 1 25 SER QB 1.800 . 3.500 2.356 2.234 2.602 . 0 0 "[ . 1 . 2]" 1
299 1 25 SER H 1 26 ILE H 1.800 . 5.000 4.620 4.606 4.647 . 0 0 "[ . 1 . 2]" 1
300 1 25 SER H 1 28 ASP H 1.800 . 5.000 4.192 4.015 4.368 . 0 0 "[ . 1 . 2]" 1
301 1 25 SER H 1 28 ASP QB 1.800 . 4.500 2.705 2.519 2.870 . 0 0 "[ . 1 . 2]" 1
302 1 25 SER HA 1 26 ILE H 1.800 . 3.000 2.347 2.288 2.397 . 0 0 "[ . 1 . 2]" 1
303 1 25 SER HA 1 26 ILE HA 1.800 . 5.000 4.324 4.315 4.337 . 0 0 "[ . 1 . 2]" 1
304 1 25 SER HA 1 26 ILE HB 1.800 . 5.500 4.855 4.727 4.941 . 0 0 "[ . 1 . 2]" 1
305 1 25 SER HA 1 26 ILE MD 1.800 . 6.000 4.701 3.963 5.040 . 0 0 "[ . 1 . 2]" 1
306 1 25 SER HA 1 26 ILE MG 1.800 . 6.000 5.550 5.517 5.588 . 0 0 "[ . 1 . 2]" 1
307 1 25 SER QB 1 26 ILE H 1.800 . 4.000 2.597 2.422 3.434 . 0 0 "[ . 1 . 2]" 1
308 1 25 SER QB 1 26 ILE HA 1.800 . 6.000 4.718 4.456 5.021 . 0 0 "[ . 1 . 2]" 1
309 1 25 SER QB 1 26 ILE HB 1.800 . 6.000 4.362 4.089 5.179 . 0 0 "[ . 1 . 2]" 1
310 1 25 SER QB 1 26 ILE MD 1.800 . 6.000 5.011 4.869 5.762 . 0 0 "[ . 1 . 2]" 1
311 1 26 ILE H 1 26 ILE HB 1.800 . 3.000 2.509 2.421 2.590 . 0 0 "[ . 1 . 2]" 1
312 1 26 ILE H 1 26 ILE QG 1.800 . 4.000 2.058 1.930 2.195 . 0 0 "[ . 1 . 2]" 1
313 1 26 ILE H 1 26 ILE MG 1.800 . 5.000 3.763 3.752 3.773 . 0 0 "[ . 1 . 2]" 1
314 1 26 ILE H 1 27 THR H 1.800 . 5.000 2.659 2.635 2.676 . 0 0 "[ . 1 . 2]" 1
315 1 26 ILE HA 1 27 THR H 1.800 . 4.500 3.538 3.531 3.547 . 0 0 "[ . 1 . 2]" 1
316 1 26 ILE HA 1 28 ASP H 1.800 . 4.500 4.474 4.440 4.522 0.022 8 0 "[ . 1 . 2]" 1
317 1 26 ILE HA 1 29 LEU H 1.800 . 4.000 3.392 3.350 3.421 . 0 0 "[ . 1 . 2]" 1
318 1 26 ILE HA 1 29 LEU QB 1.800 . 3.000 2.540 2.386 2.733 . 0 0 "[ . 1 . 2]" 1
319 1 26 ILE HA 1 29 LEU QD 1.800 . 3.000 2.115 2.043 2.264 . 0 0 "[ . 1 . 2]" 1
320 1 26 ILE HA 1 30 SER H 1.800 . 5.000 4.401 4.263 4.651 . 0 0 "[ . 1 . 2]" 1
321 1 26 ILE HB 1 27 THR H 1.800 . 3.000 2.532 2.468 2.589 . 0 0 "[ . 1 . 2]" 1
322 1 26 ILE HB 1 27 THR HB 1.800 . 5.500 5.073 4.993 5.155 . 0 0 "[ . 1 . 2]" 1
323 1 26 ILE HB 1 27 THR MG 1.800 . 6.000 5.300 5.214 5.379 . 0 0 "[ . 1 . 2]" 1
324 1 26 ILE MD 1 27 THR H 1.800 . 5.500 4.469 4.318 4.656 . 0 0 "[ . 1 . 2]" 1
325 1 26 ILE QG 1 27 THR H 1.800 . 5.000 3.962 3.826 4.079 . 0 0 "[ . 1 . 2]" 1
326 1 26 ILE MG 1 27 THR H 1.800 . 5.000 3.414 3.284 3.515 . 0 0 "[ . 1 . 2]" 1
327 1 26 ILE MG 1 27 THR HA 1.800 . 6.000 3.495 3.339 3.634 . 0 0 "[ . 1 . 2]" 1
328 1 26 ILE MG 1 27 THR HB 1.800 . 5.500 5.338 5.178 5.459 . 0 0 "[ . 1 . 2]" 1
329 1 26 ILE MG 1 27 THR MG 1.800 . 5.500 4.810 4.675 4.925 . 0 0 "[ . 1 . 2]" 1
330 1 27 THR H 1 27 THR HA 1.800 . 3.000 2.810 2.803 2.818 . 0 0 "[ . 1 . 2]" 1
331 1 27 THR H 1 27 THR HB 1.800 . 3.500 2.654 2.635 2.671 . 0 0 "[ . 1 . 2]" 1
332 1 27 THR H 1 27 THR MG 1.800 . 5.000 3.721 3.717 3.727 . 0 0 "[ . 1 . 2]" 1
333 1 27 THR H 1 28 ASP H 1.800 . 3.000 2.698 2.676 2.723 . 0 0 "[ . 1 . 2]" 1
334 1 27 THR HA 1 28 ASP H 1.800 . 4.000 3.551 3.544 3.556 . 0 0 "[ . 1 . 2]" 1
335 1 27 THR HA 1 29 LEU H 1.800 . 4.500 4.302 4.240 4.342 . 0 0 "[ . 1 . 2]" 1
336 1 27 THR HA 1 30 SER H 1.800 . 4.000 3.540 3.492 3.591 . 0 0 "[ . 1 . 2]" 1
337 1 27 THR HA 1 30 SER QB 1.800 . 3.500 3.115 2.911 3.333 . 0 0 "[ . 1 . 2]" 1
338 1 27 THR HA 1 31 LYS H 1.800 . 5.000 4.735 4.545 4.964 . 0 0 "[ . 1 . 2]" 1
339 1 27 THR HB 1 28 ASP H 1.800 . 3.000 2.505 2.473 2.535 . 0 0 "[ . 1 . 2]" 1
340 1 27 THR HB 1 28 ASP HA 1.800 . 6.000 4.142 4.126 4.155 . 0 0 "[ . 1 . 2]" 1
341 1 27 THR MG 1 28 ASP H 1.800 . 5.000 3.620 3.585 3.650 . 0 0 "[ . 1 . 2]" 1
342 1 27 THR MG 1 28 ASP HA 1.800 . 5.000 3.789 3.746 3.823 . 0 0 "[ . 1 . 2]" 1
343 1 27 THR MG 1 31 LYS QE 1.800 . 3.500 2.837 2.551 3.481 . 0 0 "[ . 1 . 2]" 1
344 1 28 ASP H 1 28 ASP HA 1.800 . 3.000 2.835 2.830 2.840 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASP H 1 28 ASP QB 1.800 . 3.500 2.225 2.215 2.260 . 0 0 "[ . 1 . 2]" 1
346 1 28 ASP H 1 29 LEU H 1.800 . 3.000 2.613 2.594 2.635 . 0 0 "[ . 1 . 2]" 1
347 1 28 ASP H 1 30 SER H 1.800 . 5.000 4.221 4.186 4.273 . 0 0 "[ . 1 . 2]" 1
348 1 28 ASP HA 1 29 LEU H 1.800 . 4.000 3.530 3.516 3.542 . 0 0 "[ . 1 . 2]" 1
349 1 28 ASP HA 1 30 SER H 1.800 . 4.500 4.322 4.254 4.385 . 0 0 "[ . 1 . 2]" 1
350 1 28 ASP HA 1 31 LYS H 1.800 . 3.500 3.467 3.415 3.501 0.001 17 0 "[ . 1 . 2]" 1
351 1 28 ASP HA 1 31 LYS QB 1.800 . 3.500 3.000 2.862 3.135 . 0 0 "[ . 1 . 2]" 1
352 1 28 ASP HA 1 31 LYS QG 1.800 . 5.000 3.402 2.996 3.807 . 0 0 "[ . 1 . 2]" 1
353 1 28 ASP HA 1 32 LYS H 1.800 . 4.500 4.299 3.925 4.507 0.007 3 0 "[ . 1 . 2]" 1
354 1 28 ASP QB 1 29 LEU H 1.800 . 3.000 2.741 2.679 2.782 . 0 0 "[ . 1 . 2]" 1
355 1 28 ASP QB 1 31 LYS QB 1.800 . 6.000 4.336 4.215 4.657 . 0 0 "[ . 1 . 2]" 1
356 1 29 LEU H 1 29 LEU HA 1.800 . 3.000 2.819 2.814 2.825 . 0 0 "[ . 1 . 2]" 1
357 1 29 LEU H 1 29 LEU QB 1.800 . 3.500 2.319 2.289 2.370 . 0 0 "[ . 1 . 2]" 1
358 1 29 LEU H 1 29 LEU QD 1.800 . 6.000 3.267 3.213 3.294 . 0 0 "[ . 1 . 2]" 1
359 1 29 LEU H 1 29 LEU HG 1.800 . 4.500 2.571 2.447 2.641 . 0 0 "[ . 1 . 2]" 1
360 1 29 LEU H 1 30 SER H 1.800 . 3.000 2.682 2.658 2.698 . 0 0 "[ . 1 . 2]" 1
361 1 29 LEU H 1 31 LYS H 1.800 . 5.000 4.252 4.203 4.300 . 0 0 "[ . 1 . 2]" 1
362 1 29 LEU HA 1 30 SER H 1.800 . 4.000 3.548 3.539 3.559 . 0 0 "[ . 1 . 2]" 1
363 1 29 LEU HA 1 31 LYS H 1.800 . 4.500 4.422 4.329 4.561 0.061 18 0 "[ . 1 . 2]" 1
364 1 29 LEU HA 1 32 LYS H 1.800 . 4.000 3.379 3.288 3.468 . 0 0 "[ . 1 . 2]" 1
365 1 29 LEU HA 1 32 LYS QB 1.800 . 3.000 2.421 2.257 2.556 . 0 0 "[ . 1 . 2]" 1
366 1 29 LEU QB 1 30 SER H 1.800 . 3.000 2.576 2.534 2.603 . 0 0 "[ . 1 . 2]" 1
367 1 29 LEU QD 1 30 SER H 1.800 . 6.000 4.102 4.071 4.120 . 0 0 "[ . 1 . 2]" 1
368 1 29 LEU QD 1 30 SER HA 1.800 . 7.000 4.976 4.940 5.013 . 0 0 "[ . 1 . 2]" 1
369 1 29 LEU QD 1 32 LYS QD 1.800 . 6.000 3.068 2.466 4.538 . 0 0 "[ . 1 . 2]" 1
370 1 29 LEU QD 1 32 LYS QE 1.800 . 6.000 4.160 3.715 4.494 . 0 0 "[ . 1 . 2]" 1
371 1 29 LEU QD 1 33 ALA H 1.800 . 6.000 4.642 4.522 4.754 . 0 0 "[ . 1 . 2]" 1
372 1 29 LEU MD1 1 32 LYS QB 1.800 . 5.000 5.226 5.121 5.316 0.316 15 0 "[ . 1 . 2]" 1
373 1 29 LEU MD1 1 33 ALA MB 1.800 . 5.500 5.375 5.181 5.519 0.019 1 0 "[ . 1 . 2]" 1
374 1 30 SER H 1 30 SER HA 1.800 . 3.000 2.804 2.797 2.815 . 0 0 "[ . 1 . 2]" 1
375 1 30 SER H 1 30 SER QB 1.800 . 3.500 2.336 2.209 2.514 . 0 0 "[ . 1 . 2]" 1
376 1 30 SER H 1 31 LYS H 1.800 . 3.000 2.740 2.712 2.767 . 0 0 "[ . 1 . 2]" 1
377 1 30 SER H 1 32 LYS H 1.800 . 5.000 4.122 3.964 4.249 . 0 0 "[ . 1 . 2]" 1
378 1 30 SER HA 1 31 LYS H 1.800 . 4.000 3.555 3.536 3.565 . 0 0 "[ . 1 . 2]" 1
379 1 30 SER HA 1 32 LYS H 1.800 . 4.500 4.479 4.397 4.537 0.037 3 0 "[ . 1 . 2]" 1
380 1 30 SER HA 1 33 ALA H 1.800 . 3.500 3.475 3.358 3.575 0.075 7 0 "[ . 1 . 2]" 1
381 1 30 SER HA 1 33 ALA MB 1.800 . 3.000 2.450 2.263 2.615 . 0 0 "[ . 1 . 2]" 1
382 1 30 SER HA 1 34 GLY H 1.800 . 4.500 4.270 4.044 4.494 . 0 0 "[ . 1 . 2]" 1
383 1 30 SER QB 1 31 LYS H 1.800 . 3.000 2.631 2.466 3.358 0.358 15 0 "[ . 1 . 2]" 1
384 1 31 LYS H 1 31 LYS HA 1.800 . 3.000 2.843 2.832 2.859 . 0 0 "[ . 1 . 2]" 1
385 1 31 LYS H 1 31 LYS QB 1.800 . 3.500 2.408 2.382 2.493 . 0 0 "[ . 1 . 2]" 1
386 1 31 LYS H 1 31 LYS QD 1.800 . 5.500 3.828 3.529 4.292 . 0 0 "[ . 1 . 2]" 1
387 1 31 LYS H 1 31 LYS QG 1.800 . 4.500 2.303 2.156 2.378 . 0 0 "[ . 1 . 2]" 1
388 1 31 LYS H 1 32 LYS H 1.800 . 3.000 2.613 2.538 2.673 . 0 0 "[ . 1 . 2]" 1
389 1 31 LYS H 1 33 ALA H 1.800 . 5.000 4.050 3.973 4.150 . 0 0 "[ . 1 . 2]" 1
390 1 31 LYS HA 1 32 LYS H 1.800 . 4.000 3.544 3.523 3.557 . 0 0 "[ . 1 . 2]" 1
391 1 31 LYS HA 1 33 ALA H 1.800 . 4.500 4.399 4.311 4.483 . 0 0 "[ . 1 . 2]" 1
392 1 31 LYS HA 1 34 GLY H 1.800 . 4.000 3.532 3.420 3.617 . 0 0 "[ . 1 . 2]" 1
393 1 31 LYS HA 1 35 GLU H 1.800 . 4.500 4.283 4.075 4.541 0.041 7 0 "[ . 1 . 2]" 1
394 1 31 LYS QB 1 32 LYS H 1.800 . 3.000 2.510 2.430 2.613 . 0 0 "[ . 1 . 2]" 1
395 1 32 LYS H 1 32 LYS HA 1.800 . 3.000 2.827 2.818 2.840 . 0 0 "[ . 1 . 2]" 1
396 1 32 LYS H 1 32 LYS QB 1.800 . 3.500 2.312 2.178 2.433 . 0 0 "[ . 1 . 2]" 1
397 1 32 LYS H 1 32 LYS QD 1.800 . 5.500 3.974 3.639 4.350 . 0 0 "[ . 1 . 2]" 1
398 1 32 LYS H 1 32 LYS QG 1.800 . 4.500 2.713 2.155 3.962 . 0 0 "[ . 1 . 2]" 1
399 1 32 LYS H 1 33 ALA H 1.800 . 3.000 2.636 2.587 2.675 . 0 0 "[ . 1 . 2]" 1
400 1 32 LYS H 1 34 GLY H 1.800 . 5.000 4.166 4.057 4.257 . 0 0 "[ . 1 . 2]" 1
401 1 32 LYS HA 1 33 ALA H 1.800 . 4.000 3.521 3.509 3.538 . 0 0 "[ . 1 . 2]" 1
402 1 32 LYS HA 1 34 GLY H 1.800 . 4.500 4.401 4.320 4.481 . 0 0 "[ . 1 . 2]" 1
403 1 32 LYS HA 1 35 GLU H 1.800 . 4.000 3.378 3.273 3.469 . 0 0 "[ . 1 . 2]" 1
404 1 32 LYS HA 1 35 GLU QB 1.800 . 3.000 2.593 2.346 2.804 . 0 0 "[ . 1 . 2]" 1
405 1 32 LYS HA 1 36 ILE H 1.800 . 4.500 4.063 3.773 4.401 . 0 0 "[ . 1 . 2]" 1
406 1 32 LYS HA 1 36 ILE MD 1.800 . 7.000 4.390 4.136 4.786 . 0 0 "[ . 1 . 2]" 1
407 1 32 LYS QB 1 33 ALA H 1.800 . 3.000 2.551 2.441 2.656 . 0 0 "[ . 1 . 2]" 1
408 1 32 LYS QD 1 36 ILE MD 1.800 . 5.000 3.916 3.735 4.176 . 0 0 "[ . 1 . 2]" 1
409 1 32 LYS QG 1 35 GLU QG 1.800 . 5.000 4.844 4.166 5.249 0.249 14 0 "[ . 1 . 2]" 1
410 1 32 LYS QG 1 36 ILE MD 1.800 . 5.500 4.157 2.346 4.986 . 0 0 "[ . 1 . 2]" 1
411 1 33 ALA H 1 33 ALA HA 1.800 . 3.000 2.806 2.794 2.818 . 0 0 "[ . 1 . 2]" 1
412 1 33 ALA H 1 33 ALA MB 1.800 . 4.000 2.101 2.061 2.164 . 0 0 "[ . 1 . 2]" 1
413 1 33 ALA H 1 34 GLY H 1.800 . 3.000 2.668 2.622 2.701 . 0 0 "[ . 1 . 2]" 1
414 1 33 ALA HA 1 34 GLY H 1.800 . 4.000 3.541 3.526 3.548 . 0 0 "[ . 1 . 2]" 1
415 1 33 ALA HA 1 35 GLU H 1.800 . 4.500 4.472 4.372 4.572 0.072 3 0 "[ . 1 . 2]" 1
416 1 33 ALA HA 1 36 ILE H 1.800 . 4.000 3.647 3.535 3.764 . 0 0 "[ . 1 . 2]" 1
417 1 33 ALA HA 1 36 ILE HB 1.800 . 3.000 3.067 2.970 3.147 0.147 14 0 "[ . 1 . 2]" 1
418 1 33 ALA HA 1 36 ILE MD 1.800 . 4.000 2.799 2.449 2.995 . 0 0 "[ . 1 . 2]" 1
419 1 33 ALA HA 1 36 ILE MG 1.800 . 5.000 4.431 4.343 4.523 . 0 0 "[ . 1 . 2]" 1
420 1 33 ALA HA 1 37 TRP H 1.800 . 4.500 4.233 4.098 4.514 0.014 7 0 "[ . 1 . 2]" 1
421 1 33 ALA MB 1 34 GLY H 1.800 . 3.500 2.553 2.441 2.639 . 0 0 "[ . 1 . 2]" 1
422 1 34 GLY H 1 35 GLU H 1.800 . 3.000 2.627 2.572 2.682 . 0 0 "[ . 1 . 2]" 1
423 1 34 GLY H 1 36 ILE H 1.800 . 5.000 4.228 4.170 4.288 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLY QA 1 35 GLU H 1.800 . 3.500 2.730 2.706 2.750 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLY QA 1 36 ILE H 1.800 . 5.000 4.159 4.026 4.224 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLY QA 1 37 TRP H 1.800 . 4.500 3.567 3.502 3.669 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLY QA 1 37 TRP QB 1.800 . 3.000 2.661 2.562 2.839 . 0 0 "[ . 1 . 2]" 1
428 1 34 GLY QA 1 38 LYS H 1.800 . 4.500 4.024 3.877 4.237 . 0 0 "[ . 1 . 2]" 1
429 1 35 GLU H 1 35 GLU HA 1.800 . 3.000 2.831 2.820 2.841 . 0 0 "[ . 1 . 2]" 1
430 1 35 GLU H 1 35 GLU QG 1.800 . 4.500 2.810 2.267 4.048 . 0 0 "[ . 1 . 2]" 1
431 1 35 GLU H 1 36 ILE H 1.800 . 3.000 2.714 2.681 2.749 . 0 0 "[ . 1 . 2]" 1
432 1 35 GLU H 1 37 TRP H 1.800 . 5.000 4.243 4.167 4.313 . 0 0 "[ . 1 . 2]" 1
433 1 35 GLU HA 1 36 ILE H 1.800 . 4.000 3.569 3.556 3.575 . 0 0 "[ . 1 . 2]" 1
434 1 35 GLU HA 1 37 TRP H 1.800 . 4.500 4.556 4.493 4.629 0.129 4 0 "[ . 1 . 2]" 1
435 1 35 GLU HA 1 38 LYS H 1.800 . 4.000 3.586 3.514 3.644 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLU HA 1 38 LYS QB 1.800 . 3.000 2.773 2.578 2.866 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLU HA 1 39 GLY H 1.800 . 4.500 4.522 4.373 4.598 0.098 17 0 "[ . 1 . 2]" 1
438 1 35 GLU QB 1 36 ILE H 1.800 . 3.000 2.585 2.535 2.678 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLU QG 1 36 ILE H 1.800 . 5.000 4.008 3.573 4.208 . 0 0 "[ . 1 . 2]" 1
440 1 36 ILE H 1 36 ILE HA 1.800 . 3.000 2.832 2.826 2.835 . 0 0 "[ . 1 . 2]" 1
441 1 36 ILE H 1 36 ILE HB 1.800 . 3.000 2.465 2.443 2.570 . 0 0 "[ . 1 . 2]" 1
442 1 36 ILE H 1 36 ILE MD 1.800 . 5.500 3.462 3.401 3.496 . 0 0 "[ . 1 . 2]" 1
443 1 36 ILE H 1 36 ILE QG 1.800 . 4.500 2.196 2.012 2.243 . 0 0 "[ . 1 . 2]" 1
444 1 36 ILE H 1 36 ILE MG 1.800 . 5.000 3.769 3.763 3.780 . 0 0 "[ . 1 . 2]" 1
445 1 36 ILE H 1 37 TRP H 1.800 . 3.000 2.683 2.663 2.724 . 0 0 "[ . 1 . 2]" 1
446 1 36 ILE H 1 38 LYS H 1.800 . 5.000 4.186 4.068 4.245 . 0 0 "[ . 1 . 2]" 1
447 1 36 ILE HA 1 37 TRP H 1.800 . 4.000 3.553 3.548 3.557 . 0 0 "[ . 1 . 2]" 1
448 1 36 ILE HA 1 38 LYS H 1.800 . 4.500 4.446 4.378 4.547 0.047 16 0 "[ . 1 . 2]" 1
449 1 36 ILE HA 1 39 GLY H 1.800 . 4.000 3.511 3.452 3.645 . 0 0 "[ . 1 . 2]" 1
450 1 36 ILE HA 1 40 MET H 1.800 . 4.500 4.340 4.118 4.515 0.015 19 0 "[ . 1 . 2]" 1
451 1 36 ILE HB 1 37 TRP H 1.800 . 3.000 2.636 2.556 2.661 . 0 0 "[ . 1 . 2]" 1
452 1 36 ILE MD 1 37 TRP H 1.800 . 6.000 4.533 4.402 4.581 . 0 0 "[ . 1 . 2]" 1
453 1 36 ILE MG 1 37 TRP H 1.800 . 5.000 3.342 3.301 3.463 . 0 0 "[ . 1 . 2]" 1
454 1 36 ILE MG 1 37 TRP HA 1.800 . 5.500 3.427 3.379 3.586 . 0 0 "[ . 1 . 2]" 1
455 1 36 ILE MG 1 37 TRP HE1 1.800 . 7.000 6.347 6.144 6.467 . 0 0 "[ . 1 . 2]" 1
456 1 36 ILE MG 1 40 MET ME 1.800 . 6.000 4.046 3.541 4.411 . 0 0 "[ . 1 . 2]" 1
457 1 36 ILE MG 1 40 MET QG 1.800 . 5.500 4.338 3.893 4.794 . 0 0 "[ . 1 . 2]" 1
458 1 37 TRP H 1 37 TRP HA 1.800 . 3.000 2.802 2.791 2.824 . 0 0 "[ . 1 . 2]" 1
459 1 37 TRP H 1 37 TRP QB 1.800 . 3.500 2.070 2.051 2.088 . 0 0 "[ . 1 . 2]" 1
460 1 37 TRP H 1 37 TRP HE3 1.800 . 6.500 4.911 4.829 5.140 . 0 0 "[ . 1 . 2]" 1
461 1 37 TRP H 1 38 LYS H 1.800 . 3.000 2.734 2.642 2.763 . 0 0 "[ . 1 . 2]" 1
462 1 37 TRP H 1 39 GLY H 1.800 . 5.000 4.225 4.130 4.266 . 0 0 "[ . 1 . 2]" 1
463 1 37 TRP HA 1 37 TRP HE3 1.800 . 4.000 2.336 2.220 2.713 . 0 0 "[ . 1 . 2]" 1
464 1 37 TRP HA 1 38 LYS H 1.800 . 4.000 3.517 3.496 3.534 . 0 0 "[ . 1 . 2]" 1
465 1 37 TRP HA 1 39 GLY H 1.800 . 4.500 4.305 4.198 4.369 . 0 0 "[ . 1 . 2]" 1
466 1 37 TRP HA 1 40 MET H 1.800 . 4.000 3.354 3.239 3.444 . 0 0 "[ . 1 . 2]" 1
467 1 37 TRP HA 1 40 MET QB 1.800 . 3.500 2.505 2.392 2.642 . 0 0 "[ . 1 . 2]" 1
468 1 37 TRP HA 1 40 MET ME 1.800 . 4.500 3.299 2.699 3.673 . 0 0 "[ . 1 . 2]" 1
469 1 37 TRP HA 1 40 MET QG 1.800 . 4.500 4.499 4.399 4.631 0.131 5 0 "[ . 1 . 2]" 1
470 1 37 TRP QB 1 38 LYS H 1.800 . 3.000 2.576 2.501 2.654 . 0 0 "[ . 1 . 2]" 1
471 1 37 TRP HD1 1 38 LYS H 1.800 . 5.500 5.442 5.370 5.492 . 0 0 "[ . 1 . 2]" 1
472 1 37 TRP HE1 1 48 TRP HE1 1.800 . 6.000 5.920 5.595 6.094 0.094 18 0 "[ . 1 . 2]" 1
473 1 37 TRP HE3 1 40 MET ME 1.800 . 4.500 3.130 2.873 3.281 . 0 0 "[ . 1 . 2]" 1
474 1 37 TRP HH2 1 40 MET ME 1.800 . 5.500 2.725 2.576 2.952 . 0 0 "[ . 1 . 2]" 1
475 1 37 TRP HH2 1 48 TRP H 1.800 . 5.500 4.445 3.930 4.705 . 0 0 "[ . 1 . 2]" 1
476 1 37 TRP HH2 1 48 TRP QB 1.800 . 4.000 3.806 2.967 4.155 0.155 19 0 "[ . 1 . 2]" 1
477 1 37 TRP HH2 1 49 ASP H 1.800 . 6.500 5.787 4.996 6.166 . 0 0 "[ . 1 . 2]" 1
478 1 37 TRP HZ2 1 40 MET ME 1.800 . 5.500 3.408 3.290 3.658 . 0 0 "[ . 1 . 2]" 1
479 1 37 TRP HZ2 1 45 LYS HA 1.800 . 4.000 3.110 2.729 3.829 . 0 0 "[ . 1 . 2]" 1
480 1 37 TRP HZ2 1 45 LYS QG 1.800 . 5.000 3.697 3.339 4.447 . 0 0 "[ . 1 . 2]" 1
481 1 37 TRP HZ2 1 47 GLU QG 1.800 . 5.500 5.381 5.299 5.431 . 0 0 "[ . 1 . 2]" 1
482 1 37 TRP HZ3 1 40 MET ME 1.800 . 4.500 2.389 2.270 2.546 . 0 0 "[ . 1 . 2]" 1
483 1 38 LYS H 1 38 LYS HA 1.800 . 3.000 2.805 2.798 2.815 . 0 0 "[ . 1 . 2]" 1
484 1 38 LYS H 1 38 LYS QB 1.800 . 3.500 2.334 2.191 2.420 . 0 0 "[ . 1 . 2]" 1
485 1 38 LYS H 1 39 GLY H 1.800 . 3.000 2.774 2.743 2.791 . 0 0 "[ . 1 . 2]" 1
486 1 38 LYS H 1 40 MET H 1.800 . 5.000 4.019 3.959 4.130 . 0 0 "[ . 1 . 2]" 1
487 1 38 LYS HA 1 39 GLY H 1.800 . 4.000 3.548 3.534 3.556 . 0 0 "[ . 1 . 2]" 1
488 1 38 LYS HA 1 40 MET H 1.800 . 4.500 4.295 4.081 4.450 . 0 0 "[ . 1 . 2]" 1
489 1 38 LYS QB 1 39 GLY H 1.800 . 3.000 2.706 2.676 2.743 . 0 0 "[ . 1 . 2]" 1
490 1 38 LYS QG 1 39 GLY H 1.800 . 5.000 4.131 3.779 4.298 . 0 0 "[ . 1 . 2]" 1
491 1 39 GLY H 1 40 MET H 1.800 . 3.000 2.391 2.312 2.473 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLY QA 1 40 MET H 1.800 . 4.000 2.855 2.794 2.918 . 0 0 "[ . 1 . 2]" 1
493 1 40 MET H 1 40 MET HA 1.800 . 3.000 2.863 2.841 2.870 . 0 0 "[ . 1 . 2]" 1
494 1 40 MET H 1 40 MET QB 1.800 . 3.500 2.245 2.128 2.271 . 0 0 "[ . 1 . 2]" 1
495 1 40 MET H 1 40 MET QG 1.800 . 4.000 3.940 3.767 3.969 . 0 0 "[ . 1 . 2]" 1
496 1 40 MET H 1 41 SER H 1.800 . 4.500 4.604 4.594 4.613 0.113 6 0 "[ . 1 . 2]" 1
497 1 40 MET HA 1 41 SER H 1.800 . 3.500 2.280 2.266 2.307 . 0 0 "[ . 1 . 2]" 1
498 1 40 MET QB 1 41 SER H 1.800 . 4.000 3.354 3.161 3.416 . 0 0 "[ . 1 . 2]" 1
499 1 40 MET QB 1 44 LYS QB 1.800 . 5.000 3.990 3.626 4.274 . 0 0 "[ . 1 . 2]" 1
500 1 40 MET ME 1 44 LYS H 1.800 . 5.000 4.219 4.005 4.854 . 0 0 "[ . 1 . 2]" 1
501 1 40 MET ME 1 44 LYS QE 1.800 . 6.000 3.900 2.675 4.356 . 0 0 "[ . 1 . 2]" 1
502 1 40 MET ME 1 45 LYS H 1.800 . 4.500 3.949 3.818 4.334 . 0 0 "[ . 1 . 2]" 1
503 1 40 MET ME 1 45 LYS QD 1.800 . 5.500 5.596 5.463 5.797 0.297 7 0 "[ . 1 . 2]" 1
504 1 40 MET ME 1 48 TRP HD1 1.800 . 4.500 3.544 3.066 3.957 . 0 0 "[ . 1 . 2]" 1
505 1 40 MET ME 1 48 TRP HE1 1.800 . 4.500 2.756 2.213 3.363 . 0 0 "[ . 1 . 2]" 1
506 1 40 MET QG 1 41 SER H 1.800 . 4.500 2.105 2.024 2.401 . 0 0 "[ . 1 . 2]" 1
507 1 40 MET QG 1 44 LYS H 1.800 . 5.000 4.400 4.061 5.006 0.006 19 0 "[ . 1 . 2]" 1
508 1 40 MET QG 1 44 LYS QB 1.800 . 4.500 2.745 2.341 3.170 . 0 0 "[ . 1 . 2]" 1
509 1 40 MET QG 1 45 LYS H 1.800 . 5.500 5.097 4.609 5.590 0.090 19 0 "[ . 1 . 2]" 1
510 1 41 SER H 1 42 LYS H 1.800 . 5.000 4.614 4.604 4.631 . 0 0 "[ . 1 . 2]" 1
511 1 41 SER H 1 44 LYS H 1.800 . 6.000 4.857 4.720 4.998 . 0 0 "[ . 1 . 2]" 1
512 1 41 SER HA 1 42 LYS H 1.800 . 3.000 2.194 2.173 2.246 . 0 0 "[ . 1 . 2]" 1
513 1 41 SER QB 1 42 LYS H 1.800 . 4.000 3.006 2.698 3.556 . 0 0 "[ . 1 . 2]" 1
514 1 41 SER QB 1 43 GLU H 1.800 . 4.000 3.085 2.631 3.760 . 0 0 "[ . 1 . 2]" 1
515 1 42 LYS H 1 42 LYS QB 1.800 . 3.500 2.306 2.206 2.453 . 0 0 "[ . 1 . 2]" 1
516 1 42 LYS H 1 42 LYS QD 1.800 . 5.000 3.970 3.431 4.334 . 0 0 "[ . 1 . 2]" 1
517 1 42 LYS H 1 43 GLU H 1.800 . 4.500 2.627 2.583 2.694 . 0 0 "[ . 1 . 2]" 1
518 1 42 LYS HA 1 43 GLU H 1.800 . 4.000 3.524 3.503 3.549 . 0 0 "[ . 1 . 2]" 1
519 1 42 LYS HA 1 45 LYS H 1.800 . 4.000 3.451 3.330 3.518 . 0 0 "[ . 1 . 2]" 1
520 1 42 LYS HA 1 45 LYS QB 1.800 . 3.500 3.061 2.636 3.369 . 0 0 "[ . 1 . 2]" 1
521 1 42 LYS HA 1 46 GLU H 1.800 . 5.000 4.801 4.556 4.983 . 0 0 "[ . 1 . 2]" 1
522 1 42 LYS QB 1 43 GLU H 1.800 . 4.000 2.623 2.523 2.698 . 0 0 "[ . 1 . 2]" 1
523 1 42 LYS QD 1 43 GLU H 1.800 . 4.500 4.676 4.597 4.812 0.312 8 0 "[ . 1 . 2]" 1
524 1 43 GLU H 1 43 GLU HA 1.800 . 3.000 2.792 2.783 2.804 . 0 0 "[ . 1 . 2]" 1
525 1 43 GLU H 1 43 GLU QB 1.800 . 3.500 2.362 2.217 2.513 . 0 0 "[ . 1 . 2]" 1
526 1 43 GLU H 1 43 GLU QG 1.800 . 4.500 2.860 2.076 4.048 . 0 0 "[ . 1 . 2]" 1
527 1 43 GLU H 1 44 LYS H 1.800 . 3.000 2.786 2.750 2.827 . 0 0 "[ . 1 . 2]" 1
528 1 43 GLU H 1 45 LYS H 1.800 . 5.000 4.283 4.137 4.407 . 0 0 "[ . 1 . 2]" 1
529 1 43 GLU HA 1 44 LYS H 1.800 . 4.000 3.539 3.513 3.555 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLU HA 1 45 LYS H 1.800 . 4.500 4.227 4.144 4.398 . 0 0 "[ . 1 . 2]" 1
531 1 43 GLU HA 1 46 GLU H 1.800 . 4.000 3.436 3.354 3.557 . 0 0 "[ . 1 . 2]" 1
532 1 43 GLU HA 1 46 GLU QB 1.800 . 3.500 2.873 2.657 3.098 . 0 0 "[ . 1 . 2]" 1
533 1 43 GLU HA 1 47 GLU H 1.800 . 4.500 4.609 4.483 4.689 0.189 4 0 "[ . 1 . 2]" 1
534 1 43 GLU QB 1 44 LYS H 1.800 . 4.000 2.705 2.568 3.506 . 0 0 "[ . 1 . 2]" 1
535 1 44 LYS H 1 44 LYS HA 1.800 . 3.000 2.829 2.815 2.839 . 0 0 "[ . 1 . 2]" 1
536 1 44 LYS H 1 44 LYS QB 1.800 . 3.500 2.317 2.170 2.428 . 0 0 "[ . 1 . 2]" 1
537 1 44 LYS H 1 44 LYS QD 1.800 . 4.500 3.808 3.603 4.270 . 0 0 "[ . 1 . 2]" 1
538 1 44 LYS H 1 44 LYS QG 1.800 . 5.000 2.550 2.224 3.894 . 0 0 "[ . 1 . 2]" 1
539 1 44 LYS H 1 45 LYS H 1.800 . 3.000 2.668 2.618 2.707 . 0 0 "[ . 1 . 2]" 1
540 1 44 LYS HA 1 45 LYS H 1.800 . 4.000 3.532 3.513 3.545 . 0 0 "[ . 1 . 2]" 1
541 1 44 LYS HA 1 46 GLU H 1.800 . 4.500 4.350 4.288 4.420 . 0 0 "[ . 1 . 2]" 1
542 1 44 LYS HA 1 47 GLU H 1.800 . 4.000 3.369 3.227 3.435 . 0 0 "[ . 1 . 2]" 1
543 1 44 LYS HA 1 47 GLU QB 1.800 . 3.500 3.459 2.783 3.796 0.296 8 0 "[ . 1 . 2]" 1
544 1 44 LYS HA 1 48 TRP H 1.800 . 4.500 4.427 4.080 4.650 0.150 4 0 "[ . 1 . 2]" 1
545 1 44 LYS QB 1 45 LYS H 1.800 . 3.000 2.730 2.638 2.800 . 0 0 "[ . 1 . 2]" 1
546 1 44 LYS QG 1 48 TRP HE1 1.800 . 4.500 4.460 2.772 4.673 0.173 10 0 "[ . 1 . 2]" 1
547 1 45 LYS H 1 45 LYS HA 1.800 . 3.000 2.836 2.815 2.850 . 0 0 "[ . 1 . 2]" 1
548 1 45 LYS H 1 45 LYS QB 1.800 . 3.500 2.191 2.088 2.230 . 0 0 "[ . 1 . 2]" 1
549 1 45 LYS H 1 45 LYS QD 1.800 . 4.500 4.306 4.250 4.397 . 0 0 "[ . 1 . 2]" 1
550 1 45 LYS H 1 45 LYS QG 1.800 . 4.000 3.906 3.767 3.955 . 0 0 "[ . 1 . 2]" 1
551 1 45 LYS H 1 46 GLU H 1.800 . 3.000 2.604 2.551 2.686 . 0 0 "[ . 1 . 2]" 1
552 1 45 LYS HA 1 46 GLU H 1.800 . 4.000 3.512 3.498 3.529 . 0 0 "[ . 1 . 2]" 1
553 1 45 LYS HA 1 47 GLU H 1.800 . 4.500 4.373 4.265 4.545 0.045 7 0 "[ . 1 . 2]" 1
554 1 45 LYS HA 1 48 TRP H 1.800 . 4.000 3.562 3.460 3.790 . 0 0 "[ . 1 . 2]" 1
555 1 45 LYS HA 1 48 TRP QB 1.800 . 3.000 2.866 2.711 3.098 0.098 12 0 "[ . 1 . 2]" 1
556 1 45 LYS HA 1 48 TRP HD1 1.800 . 3.500 2.529 2.137 3.111 . 0 0 "[ . 1 . 2]" 1
557 1 45 LYS HA 1 49 ASP H 1.800 . 4.500 4.201 4.002 4.389 . 0 0 "[ . 1 . 2]" 1
558 1 45 LYS QB 1 46 GLU H 1.800 . 3.000 2.486 2.424 2.530 . 0 0 "[ . 1 . 2]" 1
559 1 45 LYS HD3 1 46 GLU H 1.800 . 4.500 4.579 4.190 4.758 0.258 8 0 "[ . 1 . 2]" 1
560 1 46 GLU H 1 46 GLU HA 1.800 . 3.000 2.793 2.781 2.811 . 0 0 "[ . 1 . 2]" 1
561 1 46 GLU H 1 46 GLU QB 1.800 . 3.500 2.344 2.204 2.431 . 0 0 "[ . 1 . 2]" 1
562 1 46 GLU H 1 46 GLU QG 1.800 . 4.000 2.722 2.136 4.017 0.017 16 0 "[ . 1 . 2]" 1
563 1 46 GLU H 1 47 GLU H 1.800 . 3.000 2.811 2.757 2.843 . 0 0 "[ . 1 . 2]" 1
564 1 46 GLU HA 1 47 GLU H 1.800 . 4.000 3.603 3.582 3.613 . 0 0 "[ . 1 . 2]" 1
565 1 46 GLU HA 1 49 ASP H 1.800 . 3.500 3.474 3.409 3.564 0.064 7 0 "[ . 1 . 2]" 1
566 1 46 GLU HA 1 49 ASP QB 1.800 . 3.000 2.562 2.453 2.690 . 0 0 "[ . 1 . 2]" 1
567 1 46 GLU HA 1 50 ARG H 1.800 . 4.500 4.145 3.909 4.393 . 0 0 "[ . 1 . 2]" 1
568 1 46 GLU QB 1 47 GLU H 1.800 . 3.000 2.598 2.547 2.676 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLU H 1 47 GLU HA 1.800 . 3.000 2.834 2.826 2.844 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLU H 1 47 GLU QB 1.800 . 3.500 2.464 2.196 2.655 . 0 0 "[ . 1 . 2]" 1
571 1 47 GLU H 1 47 GLU QG 1.800 . 4.500 2.556 2.226 3.040 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU H 1 48 TRP H 1.800 . 3.000 2.703 2.635 2.761 . 0 0 "[ . 1 . 2]" 1
573 1 47 GLU H 1 49 ASP H 1.800 . 5.000 4.106 4.056 4.197 . 0 0 "[ . 1 . 2]" 1
574 1 47 GLU HA 1 48 TRP H 1.800 . 4.000 3.531 3.510 3.548 . 0 0 "[ . 1 . 2]" 1
575 1 47 GLU HA 1 49 ASP H 1.800 . 4.500 4.363 4.308 4.456 . 0 0 "[ . 1 . 2]" 1
576 1 47 GLU HA 1 50 ARG H 1.800 . 4.000 3.448 3.353 3.559 . 0 0 "[ . 1 . 2]" 1
577 1 47 GLU HA 1 50 ARG QB 1.800 . 3.000 2.735 2.600 2.872 . 0 0 "[ . 1 . 2]" 1
578 1 47 GLU HA 1 51 LYS H 1.800 . 4.500 4.283 4.086 4.455 . 0 0 "[ . 1 . 2]" 1
579 1 47 GLU QB 1 48 TRP H 1.800 . 3.500 3.385 3.298 3.470 . 0 0 "[ . 1 . 2]" 1
580 1 48 TRP H 1 48 TRP HA 1.800 . 3.000 2.827 2.815 2.843 . 0 0 "[ . 1 . 2]" 1
581 1 48 TRP H 1 48 TRP QB 1.800 . 3.500 2.392 2.353 2.445 . 0 0 "[ . 1 . 2]" 1
582 1 48 TRP H 1 49 ASP H 1.800 . 3.000 2.677 2.645 2.711 . 0 0 "[ . 1 . 2]" 1
583 1 48 TRP H 1 50 ARG H 1.800 . 5.000 4.176 4.083 4.271 . 0 0 "[ . 1 . 2]" 1
584 1 48 TRP HA 1 48 TRP HE3 1.800 . 4.000 2.656 2.467 2.831 . 0 0 "[ . 1 . 2]" 1
585 1 48 TRP HA 1 49 ASP H 1.800 . 4.000 3.546 3.538 3.556 . 0 0 "[ . 1 . 2]" 1
586 1 48 TRP HA 1 50 ARG H 1.800 . 4.500 4.410 4.334 4.497 . 0 0 "[ . 1 . 2]" 1
587 1 48 TRP HA 1 51 LYS H 1.800 . 4.000 3.413 3.325 3.499 . 0 0 "[ . 1 . 2]" 1
588 1 48 TRP HA 1 51 LYS QB 1.800 . 3.000 2.785 2.533 2.963 . 0 0 "[ . 1 . 2]" 1
589 1 48 TRP HA 1 52 ALA H 1.800 . 4.500 4.239 3.937 4.477 . 0 0 "[ . 1 . 2]" 1
590 1 48 TRP QB 1 49 ASP H 1.800 . 3.000 2.615 2.575 2.645 . 0 0 "[ . 1 . 2]" 1
591 1 48 TRP HE3 1 49 ASP H 1.800 . 6.000 5.717 5.640 5.806 . 0 0 "[ . 1 . 2]" 1
592 1 49 ASP H 1 49 ASP HA 1.800 . 3.000 2.825 2.814 2.835 . 0 0 "[ . 1 . 2]" 1
593 1 49 ASP H 1 49 ASP QB 1.800 . 3.500 2.227 2.212 2.237 . 0 0 "[ . 1 . 2]" 1
594 1 49 ASP H 1 50 ARG H 1.800 . 3.000 2.661 2.606 2.702 . 0 0 "[ . 1 . 2]" 1
595 1 49 ASP H 1 51 LYS H 1.800 . 5.000 4.151 4.071 4.242 . 0 0 "[ . 1 . 2]" 1
596 1 49 ASP HA 1 50 ARG H 1.800 . 4.000 3.543 3.531 3.555 . 0 0 "[ . 1 . 2]" 1
597 1 49 ASP HA 1 52 ALA H 1.800 . 4.000 3.555 3.491 3.637 . 0 0 "[ . 1 . 2]" 1
598 1 49 ASP HA 1 52 ALA MB 1.800 . 3.000 2.780 2.602 2.943 . 0 0 "[ . 1 . 2]" 1
599 1 49 ASP QB 1 50 ARG H 1.800 . 3.000 2.514 2.429 2.643 . 0 0 "[ . 1 . 2]" 1
600 1 50 ARG H 1 50 ARG HA 1.800 . 3.000 2.825 2.813 2.839 . 0 0 "[ . 1 . 2]" 1
601 1 50 ARG H 1 50 ARG QB 1.800 . 3.500 2.304 2.230 2.367 . 0 0 "[ . 1 . 2]" 1
602 1 50 ARG H 1 50 ARG QG 1.800 . 4.500 3.080 2.337 3.969 . 0 0 "[ . 1 . 2]" 1
603 1 50 ARG H 1 51 LYS H 1.800 . 3.000 2.704 2.665 2.746 . 0 0 "[ . 1 . 2]" 1
604 1 50 ARG HA 1 51 LYS H 1.800 . 4.000 3.572 3.563 3.583 . 0 0 "[ . 1 . 2]" 1
605 1 50 ARG HA 1 52 ALA H 1.800 . 4.500 4.426 4.318 4.510 0.010 18 0 "[ . 1 . 2]" 1
606 1 50 ARG HA 1 53 GLU H 1.800 . 4.000 3.410 3.298 3.469 . 0 0 "[ . 1 . 2]" 1
607 1 50 ARG HA 1 53 GLU QB 1.800 . 3.000 2.724 2.593 2.827 . 0 0 "[ . 1 . 2]" 1
608 1 50 ARG HA 1 54 ASP H 1.800 . 4.500 4.211 3.952 4.428 . 0 0 "[ . 1 . 2]" 1
609 1 50 ARG QB 1 51 LYS H 1.800 . 3.000 2.590 2.525 2.659 . 0 0 "[ . 1 . 2]" 1
610 1 50 ARG QG 1 51 LYS H 1.800 . 5.000 3.956 3.623 4.226 . 0 0 "[ . 1 . 2]" 1
611 1 51 LYS H 1 51 LYS HA 1.800 . 3.000 2.831 2.823 2.838 . 0 0 "[ . 1 . 2]" 1
612 1 51 LYS H 1 51 LYS QB 1.800 . 3.500 2.397 2.235 2.496 . 0 0 "[ . 1 . 2]" 1
613 1 51 LYS H 1 51 LYS QG 1.800 . 4.500 2.744 2.228 3.997 . 0 0 "[ . 1 . 2]" 1
614 1 51 LYS H 1 52 ALA H 1.800 . 3.000 2.656 2.631 2.684 . 0 0 "[ . 1 . 2]" 1
615 1 51 LYS H 1 53 GLU H 1.800 . 5.000 4.125 4.076 4.160 . 0 0 "[ . 1 . 2]" 1
616 1 51 LYS HA 1 52 ALA H 1.800 . 4.000 3.540 3.531 3.548 . 0 0 "[ . 1 . 2]" 1
617 1 51 LYS HA 1 53 GLU H 1.800 . 4.500 4.406 4.321 4.514 0.014 17 0 "[ . 1 . 2]" 1
618 1 51 LYS HA 1 54 ASP H 1.800 . 4.000 3.516 3.456 3.604 . 0 0 "[ . 1 . 2]" 1
619 1 51 LYS HA 1 54 ASP QB 1.800 . 3.000 2.753 2.567 2.974 . 0 0 "[ . 1 . 2]" 1
620 1 51 LYS HA 1 55 ALA H 1.800 . 4.500 4.274 4.127 4.479 . 0 0 "[ . 1 . 2]" 1
621 1 51 LYS QB 1 52 ALA H 1.800 . 3.000 2.505 2.458 2.545 . 0 0 "[ . 1 . 2]" 1
622 1 52 ALA H 1 52 ALA HA 1.800 . 3.000 2.819 2.811 2.833 . 0 0 "[ . 1 . 2]" 1
623 1 52 ALA H 1 52 ALA MB 1.800 . 3.500 2.152 2.087 2.223 . 0 0 "[ . 1 . 2]" 1
624 1 52 ALA H 1 53 GLU H 1.800 . 3.000 2.684 2.650 2.708 . 0 0 "[ . 1 . 2]" 1
625 1 52 ALA H 1 54 ASP H 1.800 . 5.000 4.193 4.117 4.275 . 0 0 "[ . 1 . 2]" 1
626 1 52 ALA HA 1 53 GLU H 1.800 . 4.000 3.549 3.538 3.559 . 0 0 "[ . 1 . 2]" 1
627 1 52 ALA HA 1 54 ASP H 1.800 . 4.500 4.471 4.400 4.539 0.039 17 0 "[ . 1 . 2]" 1
628 1 52 ALA HA 1 55 ALA H 1.800 . 4.000 3.531 3.462 3.597 . 0 0 "[ . 1 . 2]" 1
629 1 52 ALA HA 1 55 ALA MB 1.800 . 3.500 2.726 2.552 2.867 . 0 0 "[ . 1 . 2]" 1
630 1 52 ALA HA 1 56 ARG H 1.800 . 4.500 4.311 4.086 4.553 0.053 1 0 "[ . 1 . 2]" 1
631 1 52 ALA MB 1 53 GLU H 1.800 . 3.500 2.586 2.506 2.641 . 0 0 "[ . 1 . 2]" 1
632 1 53 GLU H 1 53 GLU HA 1.800 . 3.000 2.841 2.829 2.853 . 0 0 "[ . 1 . 2]" 1
633 1 53 GLU H 1 53 GLU QB 1.800 . 3.500 2.328 2.239 2.397 . 0 0 "[ . 1 . 2]" 1
634 1 53 GLU H 1 53 GLU QG 1.800 . 5.000 3.000 2.313 4.049 . 0 0 "[ . 1 . 2]" 1
635 1 53 GLU H 1 54 ASP H 1.800 . 3.000 2.650 2.610 2.695 . 0 0 "[ . 1 . 2]" 1
636 1 53 GLU HA 1 54 ASP H 1.800 . 4.000 3.563 3.556 3.577 . 0 0 "[ . 1 . 2]" 1
637 1 53 GLU HA 1 55 ALA H 1.800 . 4.500 4.372 4.303 4.453 . 0 0 "[ . 1 . 2]" 1
638 1 53 GLU HA 1 56 ARG H 1.800 . 4.000 3.421 3.343 3.511 . 0 0 "[ . 1 . 2]" 1
639 1 53 GLU HA 1 56 ARG QB 1.800 . 3.000 2.716 2.601 2.924 . 0 0 "[ . 1 . 2]" 1
640 1 53 GLU HA 1 57 ARG H 1.800 . 4.500 4.268 4.023 4.558 0.058 1 0 "[ . 1 . 2]" 1
641 1 53 GLU QB 1 54 ASP H 1.800 . 3.000 2.586 2.515 2.625 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLU QG 1 54 ASP H 1.800 . 5.000 3.983 3.658 4.191 . 0 0 "[ . 1 . 2]" 1
643 1 54 ASP H 1 54 ASP HA 1.800 . 3.000 2.834 2.826 2.840 . 0 0 "[ . 1 . 2]" 1
644 1 54 ASP H 1 54 ASP QB 1.800 . 3.500 2.249 2.239 2.264 . 0 0 "[ . 1 . 2]" 1
645 1 54 ASP H 1 55 ALA H 1.800 . 3.000 2.637 2.612 2.661 . 0 0 "[ . 1 . 2]" 1
646 1 54 ASP HA 1 55 ALA H 1.800 . 4.000 3.535 3.524 3.546 . 0 0 "[ . 1 . 2]" 1
647 1 54 ASP HA 1 56 ARG H 1.800 . 4.500 4.363 4.222 4.473 . 0 0 "[ . 1 . 2]" 1
648 1 54 ASP HA 1 57 ARG H 1.800 . 4.000 3.409 3.303 3.520 . 0 0 "[ . 1 . 2]" 1
649 1 54 ASP HA 1 57 ARG QB 1.800 . 3.000 2.716 2.452 2.929 . 0 0 "[ . 1 . 2]" 1
650 1 54 ASP HA 1 57 ARG QD 1.800 . 5.000 3.109 2.430 5.064 0.064 14 0 "[ . 1 . 2]" 1
651 1 54 ASP HA 1 58 ASP H 1.800 . 4.500 4.140 3.847 4.479 . 0 0 "[ . 1 . 2]" 1
652 1 54 ASP QB 1 55 ALA H 1.800 . 3.000 2.674 2.545 2.729 . 0 0 "[ . 1 . 2]" 1
653 1 55 ALA H 1 55 ALA HA 1.800 . 3.000 2.829 2.818 2.843 . 0 0 "[ . 1 . 2]" 1
654 1 55 ALA H 1 55 ALA MB 1.800 . 3.500 2.206 2.137 2.243 . 0 0 "[ . 1 . 2]" 1
655 1 55 ALA H 1 56 ARG H 1.800 . 3.000 2.639 2.602 2.675 . 0 0 "[ . 1 . 2]" 1
656 1 55 ALA HA 1 56 ARG H 1.800 . 4.000 3.548 3.537 3.562 . 0 0 "[ . 1 . 2]" 1
657 1 55 ALA HA 1 57 ARG H 1.800 . 4.500 4.437 4.338 4.530 0.030 19 0 "[ . 1 . 2]" 1
658 1 55 ALA HA 1 58 ASP H 1.800 . 4.000 3.391 3.304 3.494 . 0 0 "[ . 1 . 2]" 1
659 1 55 ALA HA 1 58 ASP QB 1.800 . 3.000 2.407 2.206 2.560 . 0 0 "[ . 1 . 2]" 1
660 1 55 ALA HA 1 59 TYR H 1.800 . 4.500 4.196 3.932 4.414 . 0 0 "[ . 1 . 2]" 1
661 1 55 ALA MB 1 56 ARG H 1.800 . 3.000 2.563 2.476 2.666 . 0 0 "[ . 1 . 2]" 1
662 1 56 ARG H 1 56 ARG HA 1.800 . 3.000 2.829 2.818 2.841 . 0 0 "[ . 1 . 2]" 1
663 1 56 ARG H 1 56 ARG QB 1.800 . 3.500 2.331 2.243 2.432 . 0 0 "[ . 1 . 2]" 1
664 1 56 ARG H 1 57 ARG H 1.800 . 3.000 2.675 2.636 2.703 . 0 0 "[ . 1 . 2]" 1
665 1 56 ARG HA 1 57 ARG H 1.800 . 4.000 3.562 3.553 3.570 . 0 0 "[ . 1 . 2]" 1
666 1 56 ARG HA 1 58 ASP H 1.800 . 4.500 4.403 4.296 4.492 . 0 0 "[ . 1 . 2]" 1
667 1 56 ARG HA 1 59 TYR H 1.800 . 4.000 3.472 3.386 3.591 . 0 0 "[ . 1 . 2]" 1
668 1 56 ARG HA 1 59 TYR QB 1.800 . 3.000 2.857 2.652 3.003 0.003 18 0 "[ . 1 . 2]" 1
669 1 56 ARG HA 1 60 GLU H 1.800 . 4.500 4.399 4.129 4.528 0.028 17 0 "[ . 1 . 2]" 1
670 1 56 ARG QB 1 57 ARG H 1.800 . 3.000 2.557 2.502 2.649 . 0 0 "[ . 1 . 2]" 1
671 1 57 ARG H 1 57 ARG HA 1.800 . 3.000 2.842 2.834 2.860 . 0 0 "[ . 1 . 2]" 1
672 1 57 ARG H 1 57 ARG QB 1.800 . 3.500 2.380 2.251 2.454 . 0 0 "[ . 1 . 2]" 1
673 1 57 ARG H 1 58 ASP H 1.800 . 3.000 2.612 2.558 2.639 . 0 0 "[ . 1 . 2]" 1
674 1 57 ARG HA 1 57 ARG QD 1.800 . 4.500 3.922 2.043 4.210 . 0 0 "[ . 1 . 2]" 1
675 1 57 ARG HA 1 58 ASP H 1.800 . 4.000 3.539 3.526 3.552 . 0 0 "[ . 1 . 2]" 1
676 1 57 ARG HA 1 59 TYR H 1.800 . 4.500 4.389 4.311 4.497 . 0 0 "[ . 1 . 2]" 1
677 1 57 ARG HA 1 60 GLU H 1.800 . 4.000 3.606 3.542 3.671 . 0 0 "[ . 1 . 2]" 1
678 1 57 ARG HA 1 60 GLU QB 1.800 . 3.000 2.924 2.723 3.028 0.028 16 0 "[ . 1 . 2]" 1
679 1 57 ARG HA 1 61 LYS H 1.800 . 4.500 4.435 4.075 4.581 0.081 2 0 "[ . 1 . 2]" 1
680 1 57 ARG QB 1 58 ASP H 1.800 . 3.000 2.576 2.537 2.641 . 0 0 "[ . 1 . 2]" 1
681 1 57 ARG QG 1 58 ASP H 1.800 . 5.000 4.117 3.690 4.215 . 0 0 "[ . 1 . 2]" 1
682 1 58 ASP H 1 58 ASP HA 1.800 . 3.000 2.825 2.818 2.835 . 0 0 "[ . 1 . 2]" 1
683 1 58 ASP H 1 58 ASP QB 1.800 . 3.500 2.205 2.195 2.227 . 0 0 "[ . 1 . 2]" 1
684 1 58 ASP H 1 59 TYR H 1.800 . 3.000 2.685 2.658 2.704 . 0 0 "[ . 1 . 2]" 1
685 1 58 ASP HA 1 59 TYR H 1.800 . 4.000 3.553 3.545 3.561 . 0 0 "[ . 1 . 2]" 1
686 1 58 ASP HA 1 60 GLU H 1.800 . 4.500 4.455 4.319 4.567 0.067 8 0 "[ . 1 . 2]" 1
687 1 58 ASP HA 1 61 LYS H 1.800 . 4.000 3.376 3.300 3.455 . 0 0 "[ . 1 . 2]" 1
688 1 58 ASP HA 1 61 LYS QB 1.800 . 3.000 2.643 2.403 2.869 . 0 0 "[ . 1 . 2]" 1
689 1 58 ASP HA 1 62 ALA H 1.800 . 4.500 4.253 3.805 4.560 0.060 7 0 "[ . 1 . 2]" 1
690 1 58 ASP QB 1 59 TYR H 1.800 . 3.000 2.715 2.664 2.755 . 0 0 "[ . 1 . 2]" 1
691 1 59 TYR H 1 59 TYR HA 1.800 . 3.000 2.832 2.827 2.839 . 0 0 "[ . 1 . 2]" 1
692 1 59 TYR H 1 59 TYR QB 1.800 . 3.500 2.257 2.215 2.348 . 0 0 "[ . 1 . 2]" 1
693 1 59 TYR H 1 60 GLU H 1.800 . 3.000 2.657 2.620 2.688 . 0 0 "[ . 1 . 2]" 1
694 1 59 TYR HA 1 60 GLU H 1.800 . 4.000 3.544 3.529 3.559 . 0 0 "[ . 1 . 2]" 1
695 1 59 TYR HA 1 61 LYS H 1.800 . 4.500 4.374 4.267 4.530 0.030 18 0 "[ . 1 . 2]" 1
696 1 59 TYR HA 1 62 ALA H 1.800 . 4.000 3.441 3.338 3.597 . 0 0 "[ . 1 . 2]" 1
697 1 59 TYR HA 1 62 ALA MB 1.800 . 3.000 2.734 2.533 2.933 . 0 0 "[ . 1 . 2]" 1
698 1 59 TYR HA 1 63 MET H 1.800 . 4.500 4.256 3.796 4.589 0.089 8 0 "[ . 1 . 2]" 1
699 1 59 TYR QB 1 60 GLU H 1.800 . 3.000 2.453 2.365 2.588 . 0 0 "[ . 1 . 2]" 1
700 1 59 TYR QD 1 63 MET ME 1.800 . 4.000 3.978 3.620 4.102 0.102 16 0 "[ . 1 . 2]" 1
701 1 60 GLU H 1 60 GLU HA 1.800 . 3.000 2.809 2.795 2.831 . 0 0 "[ . 1 . 2]" 1
702 1 60 GLU H 1 60 GLU QB 1.800 . 3.500 2.345 2.198 2.443 . 0 0 "[ . 1 . 2]" 1
703 1 60 GLU H 1 60 GLU QG 1.800 . 4.500 2.731 2.134 3.949 . 0 0 "[ . 1 . 2]" 1
704 1 60 GLU H 1 61 LYS H 1.800 . 3.000 2.696 2.637 2.741 . 0 0 "[ . 1 . 2]" 1
705 1 60 GLU H 1 62 ALA H 1.800 . 5.000 4.188 4.094 4.288 . 0 0 "[ . 1 . 2]" 1
706 1 60 GLU HA 1 61 LYS H 1.800 . 4.000 3.549 3.535 3.561 . 0 0 "[ . 1 . 2]" 1
707 1 60 GLU HA 1 62 ALA H 1.800 . 4.500 4.451 4.306 4.613 0.113 14 0 "[ . 1 . 2]" 1
708 1 60 GLU HA 1 63 MET H 1.800 . 4.000 3.477 3.367 3.633 . 0 0 "[ . 1 . 2]" 1
709 1 60 GLU HA 1 63 MET QB 1.800 . 3.000 2.699 2.452 3.091 0.091 9 0 "[ . 1 . 2]" 1
710 1 60 GLU QB 1 61 LYS H 1.800 . 3.000 2.518 2.449 2.609 . 0 0 "[ . 1 . 2]" 1
711 1 61 LYS H 1 61 LYS HA 1.800 . 3.000 2.825 2.815 2.833 . 0 0 "[ . 1 . 2]" 1
712 1 61 LYS H 1 61 LYS QB 1.800 . 3.500 2.332 2.238 2.428 . 0 0 "[ . 1 . 2]" 1
713 1 61 LYS H 1 61 LYS QD 1.800 . 5.500 4.065 3.644 4.404 . 0 0 "[ . 1 . 2]" 1
714 1 61 LYS H 1 61 LYS QG 1.800 . 4.500 3.029 2.210 3.970 . 0 0 "[ . 1 . 2]" 1
715 1 61 LYS H 1 62 ALA H 1.800 . 3.000 2.680 2.643 2.708 . 0 0 "[ . 1 . 2]" 1
716 1 61 LYS HA 1 62 ALA H 1.800 . 4.000 3.551 3.540 3.562 . 0 0 "[ . 1 . 2]" 1
717 1 61 LYS HA 1 63 MET H 1.800 . 4.500 4.381 4.267 4.557 0.057 14 0 "[ . 1 . 2]" 1
718 1 61 LYS HA 1 64 LYS H 1.800 . 4.000 3.458 3.377 3.566 . 0 0 "[ . 1 . 2]" 1
719 1 61 LYS HA 1 64 LYS QB 1.800 . 3.000 2.809 2.628 2.909 . 0 0 "[ . 1 . 2]" 1
720 1 61 LYS HA 1 65 GLU H 1.800 . 4.500 4.497 4.410 4.595 0.095 19 0 "[ . 1 . 2]" 1
721 1 61 LYS QB 1 62 ALA H 1.800 . 3.000 2.542 2.451 2.642 . 0 0 "[ . 1 . 2]" 1
722 1 62 ALA H 1 62 ALA HA 1.800 . 3.000 2.835 2.822 2.853 . 0 0 "[ . 1 . 2]" 1
723 1 62 ALA H 1 62 ALA MB 1.800 . 3.500 2.215 2.171 2.241 . 0 0 "[ . 1 . 2]" 1
724 1 62 ALA H 1 63 MET H 1.800 . 3.000 2.614 2.569 2.650 . 0 0 "[ . 1 . 2]" 1
725 1 62 ALA HA 1 63 MET H 1.800 . 4.000 3.527 3.513 3.540 . 0 0 "[ . 1 . 2]" 1
726 1 62 ALA HA 1 64 LYS H 1.800 . 4.500 4.295 4.223 4.347 . 0 0 "[ . 1 . 2]" 1
727 1 62 ALA HA 1 65 GLU H 1.800 . 4.000 3.419 3.318 3.620 . 0 0 "[ . 1 . 2]" 1
728 1 62 ALA HA 1 65 GLU QB 1.800 . 3.500 2.978 2.721 3.346 . 0 0 "[ . 1 . 2]" 1
729 1 62 ALA HA 1 66 TYR H 1.800 . 4.500 4.157 3.887 4.543 0.043 3 0 "[ . 1 . 2]" 1
730 1 62 ALA MB 1 63 MET H 1.800 . 3.000 2.557 2.468 2.629 . 0 0 "[ . 1 . 2]" 1
731 1 62 ALA MB 1 63 MET QG 1.800 . 5.000 3.416 3.198 5.286 0.286 14 0 "[ . 1 . 2]" 1
732 1 62 ALA MB 1 66 TYR QD 1.800 . 5.000 4.501 3.205 5.084 0.084 4 0 "[ . 1 . 2]" 1
733 1 63 MET H 1 63 MET HA 1.800 . 3.000 2.824 2.809 2.840 . 0 0 "[ . 1 . 2]" 1
734 1 63 MET H 1 63 MET QB 1.800 . 3.500 2.368 2.223 2.550 . 0 0 "[ . 1 . 2]" 1
735 1 63 MET H 1 63 MET ME 1.800 . 4.500 4.264 3.280 4.725 0.225 15 0 "[ . 1 . 2]" 1
736 1 63 MET H 1 63 MET QG 1.800 . 4.500 2.383 2.045 4.012 . 0 0 "[ . 1 . 2]" 1
737 1 63 MET H 1 64 LYS H 1.800 . 3.000 2.623 2.550 2.648 . 0 0 "[ . 1 . 2]" 1
738 1 63 MET HA 1 63 MET ME 1.800 . 4.500 3.092 2.011 4.369 . 0 0 "[ . 1 . 2]" 1
739 1 63 MET HA 1 64 LYS H 1.800 . 4.000 3.542 3.521 3.557 . 0 0 "[ . 1 . 2]" 1
740 1 63 MET HA 1 65 GLU H 1.800 . 4.500 4.390 4.292 4.485 . 0 0 "[ . 1 . 2]" 1
741 1 63 MET HA 1 66 TYR H 1.800 . 4.000 3.431 3.245 3.618 . 0 0 "[ . 1 . 2]" 1
742 1 63 MET HA 1 66 TYR QB 1.800 . 3.500 2.557 2.067 3.330 . 0 0 "[ . 1 . 2]" 1
743 1 63 MET HA 1 66 TYR QD 1.800 . 5.000 2.874 1.870 4.016 . 0 0 "[ . 1 . 2]" 1
744 1 63 MET HA 1 67 GLU H 1.800 . 4.500 4.102 3.426 4.605 0.105 15 0 "[ . 1 . 2]" 1
745 1 63 MET QB 1 64 LYS H 1.800 . 3.000 2.618 2.532 2.711 . 0 0 "[ . 1 . 2]" 1
746 1 63 MET ME 1 66 TYR QE 1.800 . 4.000 3.921 2.679 4.082 0.082 5 0 "[ . 1 . 2]" 1
747 1 64 LYS H 1 64 LYS HA 1.800 . 3.000 2.828 2.818 2.838 . 0 0 "[ . 1 . 2]" 1
748 1 64 LYS H 1 64 LYS QB 1.800 . 3.500 2.333 2.241 2.431 . 0 0 "[ . 1 . 2]" 1
749 1 64 LYS H 1 64 LYS QD 1.800 . 5.500 4.087 3.623 4.407 . 0 0 "[ . 1 . 2]" 1
750 1 64 LYS H 1 64 LYS QG 1.800 . 4.500 2.981 2.233 3.971 . 0 0 "[ . 1 . 2]" 1
751 1 64 LYS H 1 65 GLU H 1.800 . 3.000 2.690 2.643 2.723 . 0 0 "[ . 1 . 2]" 1
752 1 64 LYS HA 1 65 GLU H 1.800 . 4.000 3.562 3.547 3.570 . 0 0 "[ . 1 . 2]" 1
753 1 64 LYS HA 1 66 TYR H 1.800 . 4.500 4.430 4.245 4.597 0.097 14 0 "[ . 1 . 2]" 1
754 1 64 LYS HA 1 67 GLU H 1.800 . 4.000 3.759 3.399 4.073 0.073 14 0 "[ . 1 . 2]" 1
755 1 64 LYS QB 1 65 GLU H 1.800 . 3.000 2.645 2.585 2.748 . 0 0 "[ . 1 . 2]" 1
756 1 65 GLU H 1 65 GLU HA 1.800 . 3.000 2.878 2.823 2.924 . 0 0 "[ . 1 . 2]" 1
757 1 65 GLU H 1 65 GLU QB 1.800 . 3.500 2.363 2.257 2.442 . 0 0 "[ . 1 . 2]" 1
758 1 65 GLU H 1 65 GLU QG 1.800 . 4.500 3.077 2.312 4.066 . 0 0 "[ . 1 . 2]" 1
759 1 65 GLU H 1 66 TYR H 1.800 . 3.000 2.496 2.287 2.717 . 0 0 "[ . 1 . 2]" 1
760 1 65 GLU HA 1 66 TYR H 1.800 . 4.000 3.525 3.463 3.567 . 0 0 "[ . 1 . 2]" 1
761 1 65 GLU HA 1 67 GLU H 1.800 . 4.500 4.419 4.268 4.531 0.031 11 0 "[ . 1 . 2]" 1
762 1 65 GLU QB 1 66 TYR H 1.800 . 3.000 2.719 2.502 2.978 . 0 0 "[ . 1 . 2]" 1
763 1 65 GLU QG 1 66 TYR H 1.800 . 5.000 4.034 3.640 4.270 . 0 0 "[ . 1 . 2]" 1
764 1 66 TYR H 1 66 TYR HA 1.800 . 3.000 2.819 2.801 2.833 . 0 0 "[ . 1 . 2]" 1
765 1 66 TYR H 1 66 TYR QB 1.800 . 3.500 2.334 2.233 2.561 . 0 0 "[ . 1 . 2]" 1
766 1 66 TYR H 1 66 TYR QD 1.800 . 5.000 3.690 2.703 4.199 . 0 0 "[ . 1 . 2]" 1
767 1 66 TYR H 1 67 GLU H 1.800 . 3.000 2.691 2.626 2.743 . 0 0 "[ . 1 . 2]" 1
768 1 66 TYR HA 1 67 GLU H 1.800 . 4.000 3.551 3.538 3.562 . 0 0 "[ . 1 . 2]" 1
769 1 66 TYR QB 1 67 GLU H 1.800 . 3.500 2.462 2.388 2.575 . 0 0 "[ . 1 . 2]" 1
770 1 66 TYR QD 1 67 GLU H 1.800 . 5.000 3.841 3.333 4.360 . 0 0 "[ . 1 . 2]" 1
771 1 66 TYR QD 1 67 GLU QG 1.800 . 5.500 4.492 2.354 5.683 0.183 17 0 "[ . 1 . 2]" 1
772 1 67 GLU H 1 67 GLU HA 1.800 . 3.000 2.732 2.296 2.951 . 0 0 "[ . 1 . 2]" 1
773 1 67 GLU H 1 67 GLU QG 1.800 . 5.000 2.889 1.924 4.253 . 0 0 "[ . 1 . 2]" 1
774 1 67 GLU H 1 68 GLY H 1.800 . 3.500 2.808 2.562 3.603 0.103 16 0 "[ . 1 . 2]" 1
775 1 67 GLU HA 1 68 GLY H 1.800 . 5.000 3.221 2.208 3.549 . 0 0 "[ . 1 . 2]" 1
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