NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
523059 |
2l7z   |
16252 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7z
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 680
_Distance_constraint_stats_list.Viol_count 827
_Distance_constraint_stats_list.Viol_total 1437.935
_Distance_constraint_stats_list.Viol_max 0.686
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.1159
_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 13 PRO 0.718 0.230 11 0 "[ . 1 .]"
1 14 TYR 0.428 0.105 5 0 "[ . 1 .]"
1 15 THR 3.435 0.317 5 0 "[ . 1 .]"
1 16 LYS 1.659 0.196 14 0 "[ . 1 .]"
1 17 VAL 4.409 0.426 2 0 "[ . 1 .]"
1 18 GLN 12.015 0.426 2 0 "[ . 1 .]"
1 19 LEU 1.621 0.196 14 0 "[ . 1 .]"
1 20 LYS 1.589 0.179 3 0 "[ . 1 .]"
1 21 GLU 4.759 0.281 10 0 "[ . 1 .]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 23 GLU 0.343 0.245 8 0 "[ . 1 .]"
1 24 ARG 3.449 0.245 8 0 "[ . 1 .]"
1 25 GLU 0.739 0.146 8 0 "[ . 1 .]"
1 26 TYR 4.012 0.199 8 0 "[ . 1 .]"
1 27 ALA 0.868 0.111 10 0 "[ . 1 .]"
1 28 THR 2.419 0.176 3 0 "[ . 1 .]"
1 29 ASN 2.535 0.176 3 0 "[ . 1 .]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 31 PHE 0.178 0.079 14 0 "[ . 1 .]"
1 32 ILE 0.178 0.079 14 0 "[ . 1 .]"
1 33 THR 0.385 0.064 11 0 "[ . 1 .]"
1 34 LYS 0.367 0.142 14 0 "[ . 1 .]"
1 35 ASP 0.386 0.064 11 0 "[ . 1 .]"
1 36 LYS 0.000 0.000 14 0 "[ . 1 .]"
1 37 ARG 1.808 0.171 7 0 "[ . 1 .]"
1 38 ARG 3.541 0.179 7 0 "[ . 1 .]"
1 39 ARG 0.689 0.088 4 0 "[ . 1 .]"
1 40 ILE 2.365 0.211 7 0 "[ . 1 .]"
1 41 SER 15.163 0.686 11 7 "[* **. *-1+ *]"
1 42 ALA 0.933 0.088 4 0 "[ . 1 .]"
1 43 THR 3.451 0.393 7 0 "[ . 1 .]"
1 44 THR 12.531 0.508 9 1 "[ . +1 .]"
1 45 ASN 0.164 0.043 9 0 "[ . 1 .]"
1 46 LEU 6.705 0.537 13 1 "[ . 1 + .]"
1 47 SER 2.968 0.218 14 0 "[ . 1 .]"
1 48 GLU 4.588 0.390 11 0 "[ . 1 .]"
1 49 ARG 1.945 0.196 15 0 "[ . 1 .]"
1 50 GLN 1.653 0.218 14 0 "[ . 1 .]"
1 51 VAL 4.856 0.381 14 0 "[ . 1 .]"
1 52 THR 10.125 0.489 11 0 "[ . 1 .]"
1 53 ILE 0.475 0.080 6 0 "[ . 1 .]"
1 54 TRP 14.372 0.686 11 8 "[* **. *-1+ * *]"
1 55 PHE 12.140 0.489 11 0 "[ . 1 .]"
1 56 GLN 4.339 0.278 11 0 "[ . 1 .]"
1 57 ASN 5.607 0.352 14 0 "[ . 1 .]"
1 58 ARG 4.634 0.352 14 0 "[ . 1 .]"
1 59 ARG 8.734 0.287 9 0 "[ . 1 .]"
1 60 VAL 4.082 0.287 9 0 "[ . 1 .]"
1 61 LYS 1.163 0.209 14 0 "[ . 1 .]"
1 62 GLU 4.741 0.186 8 0 "[ . 1 .]"
1 63 LYS 5.856 0.187 8 0 "[ . 1 .]"
1 64 LYS 0.630 0.209 14 0 "[ . 1 .]"
1 65 VAL 1.533 0.187 8 0 "[ . 1 .]"
1 66 ILE 0.204 0.131 7 0 "[ . 1 .]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 .]"
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 16 LYS HA 1 19 LEU QB 0.000 . 6.000 3.137 2.590 3.510 . 0 0 "[ . 1 .]" 1
2 1 16 LYS HA 1 19 LEU MD2 0.000 . 6.500 4.613 3.997 5.509 . 0 0 "[ . 1 .]" 1
3 1 17 VAL HA 1 20 LYS QB 0.000 . 4.500 2.167 2.109 2.263 . 0 0 "[ . 1 .]" 1
4 1 18 GLN HA 1 21 GLU QB 0.000 . 5.000 3.329 2.937 3.582 . 0 0 "[ . 1 .]" 1
5 1 18 GLN HA 1 22 LEU MD2 0.000 . 6.500 4.383 3.752 5.346 . 0 0 "[ . 1 .]" 1
6 1 19 LEU HA 1 22 LEU QB 0.000 . 6.000 2.281 2.169 2.494 . 0 0 "[ . 1 .]" 1
7 1 19 LEU HA 1 22 LEU MD1 0.000 . 6.500 4.898 4.625 5.176 . 0 0 "[ . 1 .]" 1
8 1 20 LYS HA 1 23 GLU QB 0.000 . 4.500 3.176 2.597 3.712 . 0 0 "[ . 1 .]" 1
9 1 21 GLU HA 1 24 ARG QB 0.000 . 4.500 2.585 2.176 4.000 . 0 0 "[ . 1 .]" 1
10 1 22 LEU HA 1 25 GLU QB 0.000 . 6.000 3.448 2.849 4.431 . 0 0 "[ . 1 .]" 1
11 1 23 GLU HA 1 26 TYR QB 0.000 . 6.000 2.710 2.524 3.003 . 0 0 "[ . 1 .]" 1
12 1 24 ARG HA 1 27 ALA MB 0.000 . 5.000 2.665 2.256 2.978 . 0 0 "[ . 1 .]" 1
13 1 25 GLU HA 1 28 THR HB 0.000 . 3.500 2.619 2.306 2.903 . 0 0 "[ . 1 .]" 1
14 1 26 TYR QD 1 27 ALA MB 0.000 . 8.000 4.696 3.725 5.190 . 0 0 "[ . 1 .]" 1
15 1 31 PHE QD 1 32 ILE MD 0.000 . 7.000 2.132 2.073 2.249 . 0 0 "[ . 1 .]" 1
16 1 34 LYS HA 1 37 ARG QB 0.000 . 6.000 3.115 2.170 3.889 . 0 0 "[ . 1 .]" 1
17 1 35 ASP HA 1 38 ARG QB 0.000 . 5.000 2.819 2.379 3.714 . 0 0 "[ . 1 .]" 1
18 1 36 LYS HA 1 39 ARG QB 0.000 . 6.000 2.414 2.107 3.538 . 0 0 "[ . 1 .]" 1
19 1 32 ILE MD 1 36 LYS HA 0.000 . 6.500 5.392 5.273 5.503 . 0 0 "[ . 1 .]" 1
20 1 32 ILE MG 1 36 LYS HA 0.000 . 6.500 4.131 4.031 4.571 . 0 0 "[ . 1 .]" 1
21 1 36 LYS HA 1 39 ARG QD 0.000 . 4.000 2.621 2.065 3.603 . 0 0 "[ . 1 .]" 1
22 1 37 ARG HA 1 40 ILE HB 0.000 . 5.000 3.402 2.729 3.801 . 0 0 "[ . 1 .]" 1
23 1 38 ARG HA 1 41 SER QB 0.000 . 6.000 2.785 2.278 3.536 . 0 0 "[ . 1 .]" 1
24 1 39 ARG HA 1 42 ALA MB 0.000 . 5.000 2.328 2.149 2.718 . 0 0 "[ . 1 .]" 1
25 1 40 ILE HA 1 43 THR HB 0.000 . 5.000 2.830 2.185 4.311 . 0 0 "[ . 1 .]" 1
26 1 41 SER HA 1 44 THR HB 0.000 . 3.500 3.839 3.597 4.008 0.508 9 1 "[ . +1 .]" 1
27 1 42 ALA MB 1 43 THR HA 0.000 . 6.500 3.903 3.856 3.943 . 0 0 "[ . 1 .]" 1
28 1 48 GLU HA 1 51 VAL HB 0.000 . 5.000 3.309 2.612 3.805 . 0 0 "[ . 1 .]" 1
29 1 48 GLU HA 1 51 VAL MG2 0.000 . 6.000 2.253 1.950 2.645 . 0 0 "[ . 1 .]" 1
30 1 49 ARG HA 1 52 THR HB 0.000 . 3.500 3.090 2.427 3.508 0.008 5 0 "[ . 1 .]" 1
31 1 49 ARG HA 1 50 GLN QB 0.000 . 6.000 5.189 5.033 5.413 . 0 0 "[ . 1 .]" 1
32 1 50 GLN HA 1 53 ILE HB 0.000 . 5.000 2.246 2.143 2.510 . 0 0 "[ . 1 .]" 1
33 1 51 VAL HA 1 54 TRP HA 0.000 . 5.000 4.481 4.359 4.602 . 0 0 "[ . 1 .]" 1
34 1 51 VAL HA 1 54 TRP QB 0.000 . 6.000 1.892 1.831 1.988 . 0 0 "[ . 1 .]" 1
35 1 51 VAL HA 1 54 TRP HZ3 0.000 . 5.000 4.450 4.050 4.853 . 0 0 "[ . 1 .]" 1
36 1 52 THR HA 1 55 PHE QB 0.000 . 6.000 2.947 2.685 3.126 . 0 0 "[ . 1 .]" 1
37 1 53 ILE HA 1 56 GLN QB 0.000 . 6.000 2.528 2.232 2.947 . 0 0 "[ . 1 .]" 1
38 1 53 ILE MG 1 54 TRP QB 0.000 . 7.500 3.678 3.315 3.954 . 0 0 "[ . 1 .]" 1
39 1 54 TRP HA 1 57 ASN QB 0.000 . 6.000 2.482 2.238 2.722 . 0 0 "[ . 1 .]" 1
40 1 55 PHE HA 1 58 ARG QB 0.000 . 6.000 2.263 2.143 2.534 . 0 0 "[ . 1 .]" 1
41 1 56 GLN HA 1 59 ARG QB 0.000 . 5.000 2.441 2.199 2.613 . 0 0 "[ . 1 .]" 1
42 1 57 ASN HA 1 60 VAL HB 0.000 . 3.500 2.277 2.167 2.723 . 0 0 "[ . 1 .]" 1
43 1 57 ASN HA 1 60 VAL MG1 0.000 . 5.000 2.557 2.509 2.637 . 0 0 "[ . 1 .]" 1
44 1 53 ILE MG 1 57 ASN HB3 0.000 . 6.500 4.628 4.167 5.165 . 0 0 "[ . 1 .]" 1
45 1 53 ILE MG 1 57 ASN HB2 0.000 . 6.500 3.406 2.867 3.933 . 0 0 "[ . 1 .]" 1
46 1 58 ARG HA 1 61 LYS QB 0.000 . 5.000 2.498 2.201 2.938 . 0 0 "[ . 1 .]" 1
47 1 57 ASN QB 1 58 ARG HA 0.000 . 6.000 3.813 3.654 3.922 . 0 0 "[ . 1 .]" 1
48 1 59 ARG HA 1 62 GLU QB 0.000 . 6.000 3.017 2.471 3.525 . 0 0 "[ . 1 .]" 1
49 1 60 VAL HA 1 63 LYS QB 0.000 . 6.000 3.700 2.769 4.300 . 0 0 "[ . 1 .]" 1
50 1 61 LYS HA 1 64 LYS QB 0.000 . 5.000 2.987 2.205 4.259 . 0 0 "[ . 1 .]" 1
51 1 62 GLU HA 1 65 VAL HB 0.000 . 5.000 4.373 3.316 5.041 0.041 10 0 "[ . 1 .]" 1
52 1 63 LYS HA 1 66 ILE HB 0.000 . 5.000 4.610 2.736 5.131 0.131 7 0 "[ . 1 .]" 1
53 1 64 LYS HA 1 67 ASN QB 0.000 . 6.000 4.223 2.851 5.429 . 0 0 "[ . 1 .]" 1
54 1 65 VAL HA 1 68 LYS QB 0.000 . 6.000 4.213 2.614 5.127 . 0 0 "[ . 1 .]" 1
55 1 66 ILE HA 1 69 LEU QB 0.000 . 6.000 4.390 2.673 5.405 . 0 0 "[ . 1 .]" 1
56 1 52 THR HB 1 53 ILE HB 0.000 . 5.000 4.101 3.695 4.999 . 0 0 "[ . 1 .]" 1
57 1 51 VAL QG 1 54 TRP HZ3 0.000 . 7.000 3.236 2.738 3.926 . 0 0 "[ . 1 .]" 1
58 1 51 VAL QG 1 54 TRP QB 0.000 . 9.000 2.545 2.267 2.723 . 0 0 "[ . 1 .]" 1
59 1 53 ILE HB 1 54 TRP HA 0.000 . 5.000 4.845 4.621 5.055 0.055 14 0 "[ . 1 .]" 1
60 1 56 GLN QG 1 59 ARG QB 0.000 . 7.000 3.713 2.824 4.619 . 0 0 "[ . 1 .]" 1
61 1 59 ARG QB 1 60 VAL HB 0.000 . 6.000 3.896 3.791 4.046 . 0 0 "[ . 1 .]" 1
62 1 57 ASN QB 1 61 LYS QB 0.000 . 7.000 4.307 3.906 4.762 . 0 0 "[ . 1 .]" 1
63 1 57 ASN HA 1 61 LYS QB 0.000 . 6.000 4.777 4.587 5.121 . 0 0 "[ . 1 .]" 1
64 1 58 ARG QG 1 61 LYS QB 0.000 . 7.000 4.008 3.723 4.406 . 0 0 "[ . 1 .]" 1
65 1 59 ARG HA 1 61 LYS QB 0.000 . 6.000 4.961 4.690 5.378 . 0 0 "[ . 1 .]" 1
66 1 60 VAL HB 1 61 LYS QB 0.000 . 6.000 4.934 4.798 5.172 . 0 0 "[ . 1 .]" 1
67 1 61 LYS QB 1 62 GLU QB 0.000 . 6.000 4.130 3.788 4.479 . 0 0 "[ . 1 .]" 1
68 1 18 GLN HA 1 44 THR HB 0.000 . 3.500 3.733 3.617 3.921 0.421 4 0 "[ . 1 .]" 1
69 1 18 GLN HA 1 44 THR HA 0.000 . 5.000 3.897 3.554 4.301 . 0 0 "[ . 1 .]" 1
70 1 18 GLN HA 1 51 VAL QG 0.000 . 8.000 6.073 5.960 6.183 . 0 0 "[ . 1 .]" 1
71 1 18 GLN HA 1 40 ILE MG 0.000 . 5.000 4.164 3.875 4.335 . 0 0 "[ . 1 .]" 1
72 1 18 GLN QG 1 44 THR MG 0.000 . 5.400 2.553 1.963 3.763 . 0 0 "[ . 1 .]" 1
73 1 18 GLN HA 1 44 THR MG 0.000 . 6.500 2.742 1.943 5.016 . 0 0 "[ . 1 .]" 1
74 1 19 LEU MD1 1 54 TRP HZ2 0.000 . 5.000 3.751 2.226 4.131 . 0 0 "[ . 1 .]" 1
75 1 19 LEU MD1 1 22 LEU MD2 0.000 . 6.500 3.972 2.298 4.455 . 0 0 "[ . 1 .]" 1
76 1 19 LEU MD2 1 22 LEU MD2 0.000 . 8.000 3.578 2.107 5.441 . 0 0 "[ . 1 .]" 1
77 1 19 LEU MD2 1 54 TRP HZ2 0.000 . 5.000 2.300 1.893 4.135 . 0 0 "[ . 1 .]" 1
78 1 19 LEU QD 1 22 LEU MD2 0.000 . 8.000 3.202 2.099 3.840 . 0 0 "[ . 1 .]" 1
79 1 22 LEU MD1 1 51 VAL MG1 0.000 . 8.000 3.095 2.813 3.494 . 0 0 "[ . 1 .]" 1
80 1 22 LEU MD1 1 55 PHE QE 0.000 . 7.500 2.215 2.037 2.563 . 0 0 "[ . 1 .]" 1
81 1 22 LEU MD2 1 46 LEU MD2 0.000 . 8.000 4.695 4.279 4.944 . 0 0 "[ . 1 .]" 1
82 1 22 LEU MD2 1 54 TRP HZ2 0.000 . 6.500 3.524 2.703 4.210 . 0 0 "[ . 1 .]" 1
83 1 22 LEU MD2 1 54 TRP HZ3 0.000 . 6.000 3.414 2.614 4.356 . 0 0 "[ . 1 .]" 1
84 1 22 LEU MD2 1 55 PHE QE 0.000 . 7.500 3.295 2.273 4.469 . 0 0 "[ . 1 .]" 1
85 1 22 LEU HA 1 40 ILE MG 0.000 . 6.500 3.701 3.280 4.052 . 0 0 "[ . 1 .]" 1
86 1 22 LEU HA 1 58 ARG QG 0.000 . 6.000 4.825 4.125 5.269 . 0 0 "[ . 1 .]" 1
87 1 22 LEU HA 1 40 ILE MD 0.000 . 6.500 3.649 3.230 4.058 . 0 0 "[ . 1 .]" 1
88 1 22 LEU MD2 1 58 ARG QG 0.000 . 7.500 3.880 1.925 4.796 . 0 0 "[ . 1 .]" 1
89 1 22 LEU MD2 1 58 ARG QB 0.000 . 7.500 4.669 2.871 5.565 . 0 0 "[ . 1 .]" 1
90 1 22 LEU MD2 1 55 PHE HA 0.000 . 6.500 4.582 3.441 5.225 . 0 0 "[ . 1 .]" 1
91 1 22 LEU MD2 1 54 TRP HD1 0.000 . 6.500 3.776 2.405 4.604 . 0 0 "[ . 1 .]" 1
92 1 22 LEU MD1 1 31 PHE QE 0.000 . 7.500 5.398 5.298 5.533 . 0 0 "[ . 1 .]" 1
93 1 22 LEU MD1 1 31 PHE HZ 0.000 . 6.500 5.482 5.374 5.565 . 0 0 "[ . 1 .]" 1
94 1 22 LEU MD1 1 54 TRP HE3 0.000 . 6.500 4.048 3.746 4.465 . 0 0 "[ . 1 .]" 1
95 1 26 TYR QE 1 62 GLU QB 0.000 . 8.000 5.460 3.914 6.467 . 0 0 "[ . 1 .]" 1
96 1 32 ILE MD 1 34 LYS QE 0.000 . 7.500 4.262 4.117 4.484 . 0 0 "[ . 1 .]" 1
97 1 32 ILE MD 1 36 LYS QB 0.000 . 7.500 3.540 3.434 3.638 . 0 0 "[ . 1 .]" 1
98 1 31 PHE QD 1 32 ILE MG 0.000 . 8.500 4.669 4.585 4.844 . 0 0 "[ . 1 .]" 1
99 1 32 ILE MD 1 37 ARG HA 0.000 . 4.400 2.269 2.140 2.589 . 0 0 "[ . 1 .]" 1
100 1 37 ARG HA 1 51 VAL HB 0.000 . 5.000 4.476 4.013 4.978 . 0 0 "[ . 1 .]" 1
101 1 32 ILE MD 1 40 ILE MD 0.000 . 6.500 2.240 2.070 2.378 . 0 0 "[ . 1 .]" 1
102 1 25 GLU QB 1 40 ILE MD 0.000 . 6.000 3.064 2.726 3.921 . 0 0 "[ . 1 .]" 1
103 1 31 PHE HZ 1 40 ILE MD 0.000 . 6.500 5.582 5.497 5.644 . 0 0 "[ . 1 .]" 1
104 1 31 PHE QD 1 40 ILE MD 0.000 . 7.500 5.300 5.204 5.375 . 0 0 "[ . 1 .]" 1
105 1 37 ARG HA 1 40 ILE MD 0.000 . 6.500 2.034 1.920 2.141 . 0 0 "[ . 1 .]" 1
106 1 22 LEU MD2 1 40 ILE MG 0.000 . 8.000 2.710 1.998 4.635 . 0 0 "[ . 1 .]" 1
107 1 22 LEU MD1 1 40 ILE MG 0.000 . 6.000 3.460 3.007 3.865 . 0 0 "[ . 1 .]" 1
108 1 32 ILE MD 1 40 ILE MG 0.000 . 8.000 4.664 4.454 4.793 . 0 0 "[ . 1 .]" 1
109 1 40 ILE MG 1 44 THR MG 0.000 . 6.500 2.109 1.750 3.716 . 0 0 "[ . 1 .]" 1
110 1 25 GLU QB 1 40 ILE MG 0.000 . 7.500 4.692 4.225 5.421 . 0 0 "[ . 1 .]" 1
111 1 40 ILE MG 1 51 VAL HA 0.000 . 6.500 4.376 3.943 5.158 . 0 0 "[ . 1 .]" 1
112 1 22 LEU MD2 1 40 ILE MD 0.000 . 8.000 3.546 2.389 5.257 . 0 0 "[ . 1 .]" 1
113 1 22 LEU QB 1 40 ILE MD 0.000 . 7.500 5.003 4.237 5.413 . 0 0 "[ . 1 .]" 1
114 1 40 ILE HB 1 51 VAL QG 0.000 . 5.900 2.112 1.944 2.374 . 0 0 "[ . 1 .]" 1
115 1 40 ILE MD 1 51 VAL MG2 0.000 . 8.000 3.512 3.070 4.245 . 0 0 "[ . 1 .]" 1
116 1 40 ILE MD 1 51 VAL MG1 0.000 . 6.500 1.976 1.840 2.532 . 0 0 "[ . 1 .]" 1
117 1 25 GLU QG 1 40 ILE MD 0.000 . 6.000 2.894 2.071 3.967 . 0 0 "[ . 1 .]" 1
118 1 40 ILE MD 1 55 PHE QB 0.000 . 7.500 5.406 5.321 5.579 . 0 0 "[ . 1 .]" 1
119 1 41 SER HA 1 54 TRP HE3 0.000 . 5.000 4.946 4.648 5.280 0.280 5 0 "[ . 1 .]" 1
120 1 41 SER HA 1 51 VAL MG2 0.000 . 5.000 2.600 2.290 3.013 . 0 0 "[ . 1 .]" 1
121 1 18 GLN QB 1 44 THR HB 0.000 . 6.000 4.024 2.326 4.694 . 0 0 "[ . 1 .]" 1
122 1 46 LEU MD2 1 48 GLU QG 0.000 . 7.500 6.502 6.060 6.876 . 0 0 "[ . 1 .]" 1
123 1 46 LEU MD2 1 54 TRP HZ3 0.000 . 6.500 2.542 1.918 3.891 . 0 0 "[ . 1 .]" 1
124 1 46 LEU MD2 1 48 GLU HA 0.000 . 6.500 6.073 5.288 6.890 0.390 11 0 "[ . 1 .]" 1
125 1 46 LEU MD1 1 54 TRP HZ3 0.000 . 5.000 2.447 1.896 3.790 . 0 0 "[ . 1 .]" 1
126 1 46 LEU MD1 1 54 TRP HZ2 0.000 . 6.500 5.721 4.358 7.037 0.537 13 1 "[ . 1 + .]" 1
127 1 46 LEU MD1 1 50 GLN QG 0.000 . 7.500 3.570 2.248 5.293 . 0 0 "[ . 1 .]" 1
128 1 46 LEU MD1 1 51 VAL MG2 0.000 . 8.000 1.936 1.750 2.221 . 0 0 "[ . 1 .]" 1
129 1 47 SER QB 1 51 VAL MG2 0.000 . 7.500 4.519 3.689 5.142 . 0 0 "[ . 1 .]" 1
130 1 22 LEU MD2 1 46 LEU MD1 0.000 . 7.000 4.453 3.381 5.206 . 0 0 "[ . 1 .]" 1
131 1 44 THR HB 1 46 LEU MD2 0.000 . 6.500 2.896 1.988 4.150 . 0 0 "[ . 1 .]" 1
132 1 22 LEU MD1 1 51 VAL HA 0.000 . 6.500 4.478 4.044 5.154 . 0 0 "[ . 1 .]" 1
133 1 40 ILE HB 1 51 VAL HB 0.000 . 5.000 4.303 3.941 4.791 . 0 0 "[ . 1 .]" 1
134 1 32 ILE MD 1 52 THR HA 0.000 . 6.500 4.459 4.303 4.651 . 0 0 "[ . 1 .]" 1
135 1 26 TYR QE 1 59 ARG HA 0.000 . 7.000 4.314 3.244 5.275 . 0 0 "[ . 1 .]" 1
136 1 14 TYR H 1 14 TYR QD 0.000 . 5.500 3.385 1.696 4.523 . 0 0 "[ . 1 .]" 1
137 1 14 TYR H 1 14 TYR QE 0.000 . 7.000 5.194 3.808 6.476 . 0 0 "[ . 1 .]" 1
138 1 13 PRO HA 1 14 TYR H 0.000 . 3.500 2.859 2.118 3.536 0.036 3 0 "[ . 1 .]" 1
139 1 13 PRO QB 1 14 TYR H 0.000 . 6.000 2.126 1.617 3.208 . 0 0 "[ . 1 .]" 1
140 1 14 TYR H 1 15 THR H 0.000 . 3.500 3.043 2.458 3.605 0.105 5 0 "[ . 1 .]" 1
141 1 13 PRO HB3 1 15 THR H 0.000 . 5.000 4.792 3.440 5.230 0.230 11 0 "[ . 1 .]" 1
142 1 14 TYR QD 1 15 THR H 0.000 . 6.000 4.177 3.287 4.872 . 0 0 "[ . 1 .]" 1
143 1 14 TYR QE 1 15 THR H 0.000 . 7.000 6.028 5.293 6.538 . 0 0 "[ . 1 .]" 1
144 1 14 TYR HA 1 15 THR H 0.000 . 3.500 2.874 2.223 3.567 0.067 9 0 "[ . 1 .]" 1
145 1 14 TYR HB3 1 15 THR H 0.000 . 5.000 3.765 1.825 4.455 . 0 0 "[ . 1 .]" 1
146 1 15 THR H 1 18 GLN H 0.000 . 5.000 3.618 2.539 3.952 . 0 0 "[ . 1 .]" 1
147 1 15 THR H 1 18 GLN HA 0.000 . 5.000 5.031 4.824 5.179 0.179 10 0 "[ . 1 .]" 1
148 1 15 THR H 1 18 GLN HB3 0.000 . 3.500 3.247 2.694 3.817 0.317 5 0 "[ . 1 .]" 1
149 1 15 THR H 1 18 GLN HB2 0.000 . 5.000 2.340 1.986 2.682 . 0 0 "[ . 1 .]" 1
150 1 15 THR H 1 19 LEU H 0.000 . 5.000 4.325 3.411 4.955 . 0 0 "[ . 1 .]" 1
151 1 15 THR H 1 19 LEU MD2 0.000 . 6.500 4.604 2.664 5.403 . 0 0 "[ . 1 .]" 1
152 1 15 THR HA 1 16 LYS H 0.000 . 3.500 2.877 2.361 3.543 0.043 15 0 "[ . 1 .]" 1
153 1 15 THR HB 1 16 LYS H 0.000 . 3.500 2.368 1.646 3.406 . 0 0 "[ . 1 .]" 1
154 1 15 THR HG1 1 16 LYS H 0.000 . 6.000 2.324 1.631 3.295 . 0 0 "[ . 1 .]" 1
155 1 16 LYS H 1 17 VAL H 0.000 . 3.500 2.418 2.207 3.086 . 0 0 "[ . 1 .]" 1
156 1 16 LYS H 1 17 VAL MG2 0.000 . 6.500 4.161 3.015 5.548 . 0 0 "[ . 1 .]" 1
157 1 16 LYS H 1 18 GLN H 0.000 . 5.000 3.679 3.264 4.029 . 0 0 "[ . 1 .]" 1
158 1 16 LYS H 1 18 GLN HB2 0.000 . 5.000 4.634 3.865 5.061 0.061 11 0 "[ . 1 .]" 1
159 1 16 LYS H 1 19 LEU H 0.000 . 5.000 4.866 4.334 5.196 0.196 14 0 "[ . 1 .]" 1
160 1 17 VAL H 1 17 VAL HB 0.000 . 3.500 2.751 2.372 3.569 0.069 9 0 "[ . 1 .]" 1
161 1 15 THR H 1 17 VAL H 0.000 . 5.000 4.608 2.756 5.140 0.140 6 0 "[ . 1 .]" 1
162 1 15 THR HA 1 17 VAL H 0.000 . 5.000 4.561 4.136 5.022 0.022 8 0 "[ . 1 .]" 1
163 1 15 THR HB 1 17 VAL H 0.000 . 5.000 3.082 2.252 4.991 . 0 0 "[ . 1 .]" 1
164 1 15 THR MG 1 17 VAL H 0.000 . 6.000 3.599 1.938 4.986 . 0 0 "[ . 1 .]" 1
165 1 16 LYS HA 1 17 VAL H 0.000 . 5.000 3.499 3.379 3.568 . 0 0 "[ . 1 .]" 1
166 1 17 VAL H 1 18 GLN H 0.000 . 3.500 2.291 2.019 2.575 . 0 0 "[ . 1 .]" 1
167 1 17 VAL H 1 18 GLN HA 0.000 . 5.000 4.992 4.757 5.232 0.232 8 0 "[ . 1 .]" 1
168 1 17 VAL H 1 18 GLN HB3 0.000 . 5.000 5.125 4.586 5.426 0.426 2 0 "[ . 1 .]" 1
169 1 17 VAL H 1 18 GLN HB2 0.000 . 5.000 4.093 3.739 4.616 . 0 0 "[ . 1 .]" 1
170 1 17 VAL H 1 19 LEU H 0.000 . 5.000 4.355 3.773 4.778 . 0 0 "[ . 1 .]" 1
171 1 17 VAL H 1 20 LYS H 0.000 . 5.000 4.573 4.309 4.824 . 0 0 "[ . 1 .]" 1
172 1 17 VAL H 1 20 LYS QD 0.000 . 6.000 4.936 3.890 5.464 . 0 0 "[ . 1 .]" 1
173 1 18 GLN H 1 18 GLN HB3 0.000 . 3.500 3.014 2.382 3.490 . 0 0 "[ . 1 .]" 1
174 1 18 GLN H 1 18 GLN HB2 0.000 . 3.500 2.159 1.925 2.534 . 0 0 "[ . 1 .]" 1
175 1 15 THR HB 1 18 GLN H 0.000 . 5.000 3.534 2.246 5.113 0.113 5 0 "[ . 1 .]" 1
176 1 15 THR HA 1 18 GLN H 0.000 . 5.000 4.557 3.573 5.020 0.020 8 0 "[ . 1 .]" 1
177 1 15 THR MG 1 18 GLN H 0.000 . 6.000 4.224 1.928 5.153 . 0 0 "[ . 1 .]" 1
178 1 16 LYS HA 1 18 GLN H 0.000 . 5.000 3.787 3.262 4.376 . 0 0 "[ . 1 .]" 1
179 1 17 VAL HB 1 18 GLN H 0.000 . 5.000 3.298 2.530 4.159 . 0 0 "[ . 1 .]" 1
180 1 17 VAL MG2 1 18 GLN H 0.000 . 5.000 3.505 2.281 4.011 . 0 0 "[ . 1 .]" 1
181 1 18 GLN H 1 19 LEU H 0.000 . 3.500 2.659 2.504 2.816 . 0 0 "[ . 1 .]" 1
182 1 18 GLN H 1 19 LEU QB 0.000 . 6.000 4.424 4.280 4.712 . 0 0 "[ . 1 .]" 1
183 1 18 GLN H 1 21 GLU H 0.000 . 5.000 4.492 4.343 4.788 . 0 0 "[ . 1 .]" 1
184 1 19 LEU H 1 19 LEU HB3 0.000 . 3.500 3.367 2.470 3.597 0.097 10 0 "[ . 1 .]" 1
185 1 19 LEU H 1 19 LEU MD2 0.000 . 5.000 2.596 2.038 4.230 . 0 0 "[ . 1 .]" 1
186 1 16 LYS HA 1 19 LEU H 0.000 . 3.500 3.377 2.951 3.690 0.190 4 0 "[ . 1 .]" 1
187 1 16 LYS QB 1 19 LEU H 0.000 . 6.000 5.011 4.619 5.318 . 0 0 "[ . 1 .]" 1
188 1 18 GLN HA 1 19 LEU H 0.000 . 5.000 3.581 3.566 3.607 . 0 0 "[ . 1 .]" 1
189 1 18 GLN HB3 1 19 LEU H 0.000 . 5.000 2.439 1.839 3.667 . 0 0 "[ . 1 .]" 1
190 1 19 LEU H 1 20 LYS H 0.000 . 3.500 2.485 2.412 2.563 . 0 0 "[ . 1 .]" 1
191 1 19 LEU H 1 21 GLU H 0.000 . 5.000 4.289 3.991 4.449 . 0 0 "[ . 1 .]" 1
192 1 19 LEU H 1 22 LEU H 0.000 . 5.000 4.827 4.669 4.993 . 0 0 "[ . 1 .]" 1
193 1 19 LEU H 1 22 LEU MD2 0.000 . 6.500 5.085 4.729 5.265 . 0 0 "[ . 1 .]" 1
194 1 17 VAL HA 1 20 LYS H 0.000 . 3.500 3.449 3.153 3.607 0.107 8 0 "[ . 1 .]" 1
195 1 18 GLN H 1 20 LYS H 0.000 . 5.000 3.463 3.294 3.699 . 0 0 "[ . 1 .]" 1
196 1 18 GLN QB 1 20 LYS H 0.000 . 6.000 4.064 3.847 4.383 . 0 0 "[ . 1 .]" 1
197 1 19 LEU HA 1 20 LYS H 0.000 . 5.000 3.391 3.356 3.466 . 0 0 "[ . 1 .]" 1
198 1 19 LEU MD2 1 20 LYS H 0.000 . 6.000 4.214 3.938 4.723 . 0 0 "[ . 1 .]" 1
199 1 20 LYS H 1 21 GLU H 0.000 . 3.500 2.394 2.262 2.547 . 0 0 "[ . 1 .]" 1
200 1 20 LYS H 1 21 GLU HA 0.000 . 5.000 5.087 5.011 5.179 0.179 3 0 "[ . 1 .]" 1
201 1 20 LYS H 1 22 LEU H 0.000 . 5.000 3.540 3.333 3.666 . 0 0 "[ . 1 .]" 1
202 1 20 LYS H 1 22 LEU MD2 0.000 . 6.500 5.315 5.197 5.461 . 0 0 "[ . 1 .]" 1
203 1 20 LYS H 1 23 GLU H 0.000 . 5.000 4.698 4.341 5.030 0.030 2 0 "[ . 1 .]" 1
204 1 18 GLN HA 1 21 GLU H 0.000 . 3.500 3.688 3.562 3.781 0.281 10 0 "[ . 1 .]" 1
205 1 20 LYS HA 1 21 GLU H 0.000 . 5.000 3.549 3.509 3.571 . 0 0 "[ . 1 .]" 1
206 1 20 LYS QB 1 21 GLU H 0.000 . 4.500 2.545 2.372 2.681 . 0 0 "[ . 1 .]" 1
207 1 20 LYS QG 1 21 GLU H 0.000 . 6.000 3.654 3.091 4.310 . 0 0 "[ . 1 .]" 1
208 1 21 GLU H 1 22 LEU H 0.000 . 3.500 2.390 2.117 2.562 . 0 0 "[ . 1 .]" 1
209 1 21 GLU H 1 22 LEU QB 0.000 . 6.000 4.023 3.728 4.229 . 0 0 "[ . 1 .]" 1
210 1 21 GLU H 1 22 LEU MD2 0.000 . 6.500 4.745 4.186 5.526 . 0 0 "[ . 1 .]" 1
211 1 21 GLU H 1 23 GLU H 0.000 . 5.000 4.340 3.950 4.595 . 0 0 "[ . 1 .]" 1
212 1 21 GLU H 1 24 ARG H 0.000 . 5.000 4.808 4.650 4.919 . 0 0 "[ . 1 .]" 1
213 1 22 LEU H 1 22 LEU HB3 0.000 . 3.500 2.966 2.128 3.288 . 0 0 "[ . 1 .]" 1
214 1 22 LEU H 1 22 LEU HB2 0.000 . 3.500 2.232 2.059 2.891 . 0 0 "[ . 1 .]" 1
215 1 22 LEU H 1 22 LEU HG 0.000 . 5.000 4.381 4.052 4.530 . 0 0 "[ . 1 .]" 1
216 1 19 LEU HA 1 22 LEU H 0.000 . 5.000 3.379 3.121 3.677 . 0 0 "[ . 1 .]" 1
217 1 19 LEU MD2 1 22 LEU H 0.000 . 6.500 4.829 4.619 5.670 . 0 0 "[ . 1 .]" 1
218 1 21 GLU HA 1 22 LEU H 0.000 . 5.000 3.403 3.307 3.464 . 0 0 "[ . 1 .]" 1
219 1 21 GLU QB 1 22 LEU H 0.000 . 6.000 2.930 2.815 3.062 . 0 0 "[ . 1 .]" 1
220 1 22 LEU H 1 23 GLU H 0.000 . 5.000 2.555 2.297 2.757 . 0 0 "[ . 1 .]" 1
221 1 22 LEU H 1 24 ARG H 0.000 . 5.000 3.660 3.425 3.987 . 0 0 "[ . 1 .]" 1
222 1 22 LEU H 1 25 GLU H 0.000 . 5.000 4.717 4.477 4.860 . 0 0 "[ . 1 .]" 1
223 1 19 LEU HA 1 23 GLU H 0.000 . 5.000 3.941 3.596 4.501 . 0 0 "[ . 1 .]" 1
224 1 19 LEU MD2 1 23 GLU H 0.000 . 6.500 5.256 4.659 5.443 . 0 0 "[ . 1 .]" 1
225 1 20 LYS HA 1 23 GLU H 0.000 . 5.000 3.533 3.132 3.958 . 0 0 "[ . 1 .]" 1
226 1 22 LEU HA 1 23 GLU H 0.000 . 5.000 3.549 3.480 3.566 . 0 0 "[ . 1 .]" 1
227 1 22 LEU HB2 1 23 GLU H 0.000 . 5.000 3.191 2.810 3.916 . 0 0 "[ . 1 .]" 1
228 1 22 LEU MD2 1 23 GLU H 0.000 . 6.500 4.359 4.031 4.570 . 0 0 "[ . 1 .]" 1
229 1 22 LEU HB3 1 23 GLU H 0.000 . 5.000 2.554 2.265 3.004 . 0 0 "[ . 1 .]" 1
230 1 23 GLU H 1 24 ARG H 0.000 . 3.500 2.515 2.150 2.693 . 0 0 "[ . 1 .]" 1
231 1 23 GLU H 1 24 ARG QG 0.000 . 6.000 5.283 3.409 5.788 . 0 0 "[ . 1 .]" 1
232 1 23 GLU H 1 24 ARG HD2 0.000 . 5.000 4.143 3.797 5.245 0.245 8 0 "[ . 1 .]" 1
233 1 23 GLU H 1 25 GLU QG 0.000 . 6.000 5.356 4.574 5.496 . 0 0 "[ . 1 .]" 1
234 1 23 GLU H 1 26 TYR H 0.000 . 5.000 4.835 4.590 4.943 . 0 0 "[ . 1 .]" 1
235 1 24 ARG H 1 26 TYR H 0.000 . 3.500 3.518 3.411 3.694 0.194 8 0 "[ . 1 .]" 1
236 1 24 ARG H 1 25 GLU H 0.000 . 3.500 2.479 2.232 2.649 . 0 0 "[ . 1 .]" 1
237 1 24 ARG H 1 27 ALA H 0.000 . 5.000 4.419 4.312 4.552 . 0 0 "[ . 1 .]" 1
238 1 24 ARG H 1 26 TYR QD 0.000 . 7.000 6.366 5.961 6.632 . 0 0 "[ . 1 .]" 1
239 1 23 GLU HA 1 24 ARG H 0.000 . 3.500 3.428 3.367 3.505 0.005 8 0 "[ . 1 .]" 1
240 1 21 GLU HA 1 24 ARG H 0.000 . 3.500 3.530 3.400 3.624 0.124 7 0 "[ . 1 .]" 1
241 1 24 ARG H 1 24 ARG QD 0.000 . 6.000 2.466 1.992 3.409 . 0 0 "[ . 1 .]" 1
242 1 24 ARG H 1 25 GLU QG 0.000 . 6.000 3.926 3.615 4.486 . 0 0 "[ . 1 .]" 1
243 1 24 ARG H 1 25 GLU QB 0.000 . 6.000 4.505 4.133 4.858 . 0 0 "[ . 1 .]" 1
244 1 23 GLU QB 1 24 ARG H 0.000 . 4.500 2.975 2.629 3.114 . 0 0 "[ . 1 .]" 1
245 1 22 LEU QB 1 24 ARG H 0.000 . 6.000 4.302 4.120 4.675 . 0 0 "[ . 1 .]" 1
246 1 24 ARG HA 1 25 GLU H 0.000 . 5.000 3.550 3.513 3.580 . 0 0 "[ . 1 .]" 1
247 1 24 ARG QB 1 25 GLU H 0.000 . 5.000 2.490 2.316 3.161 . 0 0 "[ . 1 .]" 1
248 1 25 GLU H 1 26 TYR H 0.000 . 3.500 2.574 2.416 2.674 . 0 0 "[ . 1 .]" 1
249 1 23 GLU H 1 25 GLU H 0.000 . 5.000 4.448 3.779 4.670 . 0 0 "[ . 1 .]" 1
250 1 25 GLU H 1 28 THR H 0.000 . 5.000 4.742 4.526 4.878 . 0 0 "[ . 1 .]" 1
251 1 25 GLU H 1 26 TYR QD 0.000 . 7.000 6.015 5.407 6.390 . 0 0 "[ . 1 .]" 1
252 1 23 GLU HA 1 25 GLU H 0.000 . 5.000 4.796 4.284 5.042 0.042 6 0 "[ . 1 .]" 1
253 1 22 LEU HA 1 25 GLU H 0.000 . 5.000 3.869 3.414 4.192 . 0 0 "[ . 1 .]" 1
254 1 24 ARG HD2 1 25 GLU H 0.000 . 5.000 4.149 2.450 4.654 . 0 0 "[ . 1 .]" 1
255 1 25 GLU H 1 25 GLU QG 0.000 . 5.000 1.973 1.751 2.598 . 0 0 "[ . 1 .]" 1
256 1 23 GLU QB 1 25 GLU H 0.000 . 6.000 5.104 4.792 5.315 . 0 0 "[ . 1 .]" 1
257 1 22 LEU QB 1 25 GLU H 0.000 . 6.000 5.233 5.037 5.393 . 0 0 "[ . 1 .]" 1
258 1 24 ARG QG 1 25 GLU H 0.000 . 6.000 4.125 2.056 4.462 . 0 0 "[ . 1 .]" 1
259 1 25 GLU H 1 27 ALA H 0.000 . 5.000 4.195 3.844 4.397 . 0 0 "[ . 1 .]" 1
260 1 26 TYR H 1 28 THR H 0.000 . 5.000 3.530 3.409 3.815 . 0 0 "[ . 1 .]" 1
261 1 26 TYR H 1 26 TYR QE 0.000 . 7.000 6.090 5.631 6.261 . 0 0 "[ . 1 .]" 1
262 1 26 TYR H 1 28 THR HB 0.000 . 5.000 4.681 4.399 4.999 . 0 0 "[ . 1 .]" 1
263 1 23 GLU HA 1 26 TYR H 0.000 . 5.000 3.606 3.393 3.866 . 0 0 "[ . 1 .]" 1
264 1 24 ARG HD2 1 26 TYR H 0.000 . 5.000 5.125 4.786 5.199 0.199 8 0 "[ . 1 .]" 1
265 1 25 GLU QB 1 26 TYR H 0.000 . 6.000 2.968 2.647 3.648 . 0 0 "[ . 1 .]" 1
266 1 23 GLU QB 1 26 TYR H 0.000 . 6.000 4.983 4.834 5.163 . 0 0 "[ . 1 .]" 1
267 1 26 TYR H 1 27 ALA MB 0.000 . 6.000 4.033 3.967 4.129 . 0 0 "[ . 1 .]" 1
268 1 26 TYR H 1 27 ALA HA 0.000 . 5.000 5.036 4.975 5.111 0.111 10 0 "[ . 1 .]" 1
269 1 26 TYR H 1 27 ALA H 0.000 . 5.000 2.310 2.226 2.408 . 0 0 "[ . 1 .]" 1
270 1 27 ALA H 1 29 ASN H 0.000 . 5.000 4.339 4.138 4.552 . 0 0 "[ . 1 .]" 1
271 1 27 ALA H 1 28 THR H 0.000 . 3.500 2.431 2.281 2.539 . 0 0 "[ . 1 .]" 1
272 1 26 TYR QD 1 27 ALA H 0.000 . 6.000 4.202 3.467 4.549 . 0 0 "[ . 1 .]" 1
273 1 26 TYR QE 1 27 ALA H 0.000 . 7.000 6.297 5.715 6.571 . 0 0 "[ . 1 .]" 1
274 1 27 ALA H 1 28 THR HB 0.000 . 5.000 4.547 4.245 4.737 . 0 0 "[ . 1 .]" 1
275 1 26 TYR HA 1 27 ALA H 0.000 . 5.000 3.516 3.491 3.539 . 0 0 "[ . 1 .]" 1
276 1 27 ALA H 1 27 ALA HA 0.000 . 2.900 2.912 2.882 2.946 0.046 11 0 "[ . 1 .]" 1
277 1 24 ARG HA 1 27 ALA H 0.000 . 3.500 3.265 2.864 3.536 0.036 2 0 "[ . 1 .]" 1
278 1 24 ARG QD 1 27 ALA H 0.000 . 6.000 4.885 4.396 5.301 . 0 0 "[ . 1 .]" 1
279 1 23 GLU QB 1 27 ALA H 0.000 . 6.000 4.902 4.541 5.227 . 0 0 "[ . 1 .]" 1
280 1 25 GLU QB 1 27 ALA H 0.000 . 6.000 4.890 4.579 5.351 . 0 0 "[ . 1 .]" 1
281 1 27 ALA HA 1 28 THR H 0.000 . 5.000 3.384 3.343 3.487 . 0 0 "[ . 1 .]" 1
282 1 28 THR H 1 29 ASN H 0.000 . 3.500 2.491 2.390 2.669 . 0 0 "[ . 1 .]" 1
283 1 28 THR H 1 29 ASN HA 0.000 . 5.000 5.086 5.032 5.176 0.176 3 0 "[ . 1 .]" 1
284 1 28 THR H 1 28 THR HB 0.000 . 2.900 2.365 2.143 2.494 . 0 0 "[ . 1 .]" 1
285 1 28 THR H 1 28 THR HA 0.000 . 2.900 2.893 2.809 2.926 0.026 13 0 "[ . 1 .]" 1
286 1 25 GLU HA 1 28 THR H 0.000 . 3.500 3.517 3.309 3.646 0.146 8 0 "[ . 1 .]" 1
287 1 25 GLU QB 1 28 THR H 0.000 . 6.000 4.847 4.714 4.953 . 0 0 "[ . 1 .]" 1
288 1 27 ALA MB 1 28 THR H 0.000 . 5.000 3.011 2.685 3.099 . 0 0 "[ . 1 .]" 1
289 1 26 TYR H 1 29 ASN H 0.000 . 5.000 5.058 4.960 5.171 0.171 6 0 "[ . 1 .]" 1
290 1 28 THR HB 1 29 ASN H 0.000 . 3.500 2.676 2.508 2.827 . 0 0 "[ . 1 .]" 1
291 1 28 THR HA 1 29 ASN H 0.000 . 3.500 3.521 3.481 3.545 0.045 6 0 "[ . 1 .]" 1
292 1 25 GLU QB 1 29 ASN H 0.000 . 6.000 5.414 5.261 5.522 . 0 0 "[ . 1 .]" 1
293 1 27 ALA MB 1 29 ASN H 0.000 . 6.000 4.708 4.439 4.815 . 0 0 "[ . 1 .]" 1
294 1 28 THR MG 1 29 ASN H 0.000 . 5.000 3.391 2.801 3.657 . 0 0 "[ . 1 .]" 1
295 1 30 LYS H 1 31 PHE H 0.000 . 5.000 2.099 1.849 2.373 . 0 0 "[ . 1 .]" 1
296 1 30 LYS H 1 31 PHE QD 0.000 . 7.000 5.825 5.736 5.973 . 0 0 "[ . 1 .]" 1
297 1 30 LYS H 1 31 PHE HA 0.000 . 5.000 4.055 3.985 4.137 . 0 0 "[ . 1 .]" 1
298 1 29 ASN QB 1 30 LYS H 0.000 . 6.000 1.967 1.688 2.558 . 0 0 "[ . 1 .]" 1
299 1 30 LYS H 1 32 ILE QG 0.000 . 6.000 5.233 5.176 5.312 . 0 0 "[ . 1 .]" 1
300 1 31 PHE H 1 31 PHE QD 0.000 . 5.500 4.442 4.396 4.465 . 0 0 "[ . 1 .]" 1
301 1 30 LYS HA 1 31 PHE H 0.000 . 5.000 3.528 3.488 3.558 . 0 0 "[ . 1 .]" 1
302 1 31 PHE H 1 31 PHE HB2 0.000 . 3.500 3.013 2.981 3.061 . 0 0 "[ . 1 .]" 1
303 1 31 PHE H 1 32 ILE MG 0.000 . 6.000 4.904 4.840 4.982 . 0 0 "[ . 1 .]" 1
304 1 30 LYS QB 1 31 PHE H 0.000 . 6.000 2.400 1.996 3.188 . 0 0 "[ . 1 .]" 1
305 1 30 LYS QG 1 31 PHE H 0.000 . 6.000 3.526 1.636 4.153 . 0 0 "[ . 1 .]" 1
306 1 31 PHE H 1 32 ILE QG 0.000 . 6.000 4.738 4.640 4.827 . 0 0 "[ . 1 .]" 1
307 1 31 PHE H 1 32 ILE MD 0.000 . 6.500 5.333 5.174 5.451 . 0 0 "[ . 1 .]" 1
308 1 31 PHE QE 1 32 ILE H 0.000 . 7.000 3.295 3.218 3.392 . 0 0 "[ . 1 .]" 1
309 1 31 PHE HZ 1 32 ILE H 0.000 . 5.000 4.983 4.850 5.079 0.079 14 0 "[ . 1 .]" 1
310 1 32 ILE H 1 33 THR H 0.000 . 5.000 4.522 4.499 4.542 . 0 0 "[ . 1 .]" 1
311 1 31 PHE HA 1 32 ILE H 0.000 . 3.500 2.338 2.262 2.365 . 0 0 "[ . 1 .]" 1
312 1 32 ILE H 1 32 ILE HB 0.000 . 3.500 3.313 3.253 3.367 . 0 0 "[ . 1 .]" 1
313 1 32 ILE H 1 34 LYS QE 0.000 . 6.000 5.422 5.347 5.486 . 0 0 "[ . 1 .]" 1
314 1 32 ILE H 1 36 LYS QB 0.000 . 6.000 4.710 4.629 5.049 . 0 0 "[ . 1 .]" 1
315 1 32 ILE H 1 32 ILE MD 0.000 . 5.000 1.749 1.628 1.896 . 0 0 "[ . 1 .]" 1
316 1 33 THR H 1 34 LYS H 0.000 . 5.000 4.628 4.603 4.658 . 0 0 "[ . 1 .]" 1
317 1 33 THR H 1 37 ARG H 0.000 . 5.000 4.300 3.981 4.967 . 0 0 "[ . 1 .]" 1
318 1 33 THR H 1 36 LYS H 0.000 . 5.000 3.647 3.546 3.895 . 0 0 "[ . 1 .]" 1
319 1 32 ILE HA 1 33 THR H 0.000 . 3.500 2.312 2.219 2.355 . 0 0 "[ . 1 .]" 1
320 1 33 THR H 1 34 LYS QE 0.000 . 6.000 4.861 4.581 5.158 . 0 0 "[ . 1 .]" 1
321 1 33 THR H 1 36 LYS QB 0.000 . 5.000 2.118 1.935 2.762 . 0 0 "[ . 1 .]" 1
322 1 33 THR H 1 37 ARG QG 0.000 . 6.000 4.941 4.152 5.489 . 0 0 "[ . 1 .]" 1
323 1 32 ILE HB 1 33 THR H 0.000 . 5.000 2.862 2.794 3.082 . 0 0 "[ . 1 .]" 1
324 1 32 ILE QG 1 33 THR H 0.000 . 6.000 4.497 4.437 4.584 . 0 0 "[ . 1 .]" 1
325 1 32 ILE MD 1 33 THR H 0.000 . 5.000 4.118 4.046 4.205 . 0 0 "[ . 1 .]" 1
326 1 34 LYS H 1 35 ASP H 0.000 . 5.000 2.838 2.758 2.950 . 0 0 "[ . 1 .]" 1
327 1 34 LYS H 1 36 LYS H 0.000 . 5.000 4.052 3.911 4.159 . 0 0 "[ . 1 .]" 1
328 1 34 LYS H 1 37 ARG H 0.000 . 5.000 4.537 4.354 4.703 . 0 0 "[ . 1 .]" 1
329 1 33 THR HB 1 34 LYS H 0.000 . 5.000 3.128 2.550 3.614 . 0 0 "[ . 1 .]" 1
330 1 33 THR HA 1 34 LYS H 0.000 . 3.500 2.321 2.280 2.351 . 0 0 "[ . 1 .]" 1
331 1 34 LYS H 1 34 LYS QE 0.000 . 6.000 2.071 1.645 2.327 . 0 0 "[ . 1 .]" 1
332 1 34 LYS H 1 35 ASP QB 0.000 . 6.000 4.747 4.527 5.268 . 0 0 "[ . 1 .]" 1
333 1 33 THR MG 1 34 LYS H 0.000 . 5.000 2.809 1.838 4.031 . 0 0 "[ . 1 .]" 1
334 1 35 ASP H 1 36 LYS H 0.000 . 3.500 2.425 2.339 2.541 . 0 0 "[ . 1 .]" 1
335 1 33 THR H 1 35 ASP H 0.000 . 5.000 5.012 4.901 5.064 0.064 11 0 "[ . 1 .]" 1
336 1 35 ASP H 1 37 ARG H 0.000 . 5.000 3.941 3.650 4.309 . 0 0 "[ . 1 .]" 1
337 1 35 ASP H 1 38 ARG H 0.000 . 5.000 4.719 4.554 4.969 . 0 0 "[ . 1 .]" 1
338 1 33 THR HB 1 35 ASP H 0.000 . 5.000 2.880 2.521 4.182 . 0 0 "[ . 1 .]" 1
339 1 34 LYS HA 1 35 ASP H 0.000 . 5.000 3.515 3.500 3.543 . 0 0 "[ . 1 .]" 1
340 1 34 LYS QB 1 35 ASP H 0.000 . 6.000 2.612 2.470 2.728 . 0 0 "[ . 1 .]" 1
341 1 35 ASP H 1 37 ARG QG 0.000 . 6.000 4.447 4.037 5.053 . 0 0 "[ . 1 .]" 1
342 1 34 LYS QG 1 35 ASP H 0.000 . 6.000 4.214 3.612 4.556 . 0 0 "[ . 1 .]" 1
343 1 35 ASP H 1 36 LYS QB 0.000 . 6.000 4.313 4.225 4.387 . 0 0 "[ . 1 .]" 1
344 1 36 LYS H 1 37 ARG H 0.000 . 3.500 2.408 2.188 2.685 . 0 0 "[ . 1 .]" 1
345 1 36 LYS H 1 38 ARG H 0.000 . 5.000 3.788 3.522 4.244 . 0 0 "[ . 1 .]" 1
346 1 33 THR HB 1 36 LYS H 0.000 . 5.000 3.023 2.380 4.458 . 0 0 "[ . 1 .]" 1
347 1 35 ASP HA 1 36 LYS H 0.000 . 3.500 3.479 3.449 3.500 0.000 14 0 "[ . 1 .]" 1
348 1 35 ASP QB 1 36 LYS H 0.000 . 5.000 2.724 2.597 2.820 . 0 0 "[ . 1 .]" 1
349 1 34 LYS QE 1 36 LYS H 0.000 . 6.000 4.851 4.478 5.050 . 0 0 "[ . 1 .]" 1
350 1 36 LYS H 1 37 ARG QG 0.000 . 4.500 3.883 3.690 4.074 . 0 0 "[ . 1 .]" 1
351 1 32 ILE MD 1 36 LYS H 0.000 . 6.500 5.063 4.953 5.183 . 0 0 "[ . 1 .]" 1
352 1 33 THR HA 1 36 LYS H 0.000 . 5.000 4.295 4.164 4.459 . 0 0 "[ . 1 .]" 1
353 1 36 LYS H 1 36 LYS QG 0.000 . 4.500 2.803 2.495 4.064 . 0 0 "[ . 1 .]" 1
354 1 37 ARG H 1 40 ILE H 0.000 . 5.000 4.897 4.705 5.044 0.044 14 0 "[ . 1 .]" 1
355 1 37 ARG H 1 38 ARG H 0.000 . 3.500 2.408 2.242 2.510 . 0 0 "[ . 1 .]" 1
356 1 37 ARG H 1 39 ARG H 0.000 . 5.000 3.792 3.535 4.057 . 0 0 "[ . 1 .]" 1
357 1 35 ASP HA 1 37 ARG H 0.000 . 5.000 4.418 3.870 5.001 0.001 7 0 "[ . 1 .]" 1
358 1 34 LYS HA 1 37 ARG H 0.000 . 3.500 3.347 2.932 3.642 0.142 14 0 "[ . 1 .]" 1
359 1 36 LYS HA 1 37 ARG H 0.000 . 5.000 3.508 3.349 3.589 . 0 0 "[ . 1 .]" 1
360 1 37 ARG H 1 38 ARG HA 0.000 . 5.000 5.093 5.006 5.171 0.171 7 0 "[ . 1 .]" 1
361 1 34 LYS QE 1 37 ARG H 0.000 . 6.000 4.249 3.898 4.543 . 0 0 "[ . 1 .]" 1
362 1 37 ARG H 1 37 ARG QD 0.000 . 6.000 4.005 3.610 4.551 . 0 0 "[ . 1 .]" 1
363 1 37 ARG H 1 40 ILE MD 0.000 . 6.500 4.281 3.642 4.566 . 0 0 "[ . 1 .]" 1
364 1 35 ASP QB 1 37 ARG H 0.000 . 6.000 4.713 4.379 4.968 . 0 0 "[ . 1 .]" 1
365 1 36 LYS QB 1 37 ARG H 0.000 . 5.000 2.747 2.532 3.104 . 0 0 "[ . 1 .]" 1
366 1 37 ARG H 1 38 ARG QB 0.000 . 6.000 4.186 3.973 4.561 . 0 0 "[ . 1 .]" 1
367 1 36 LYS HA 1 38 ARG H 0.000 . 5.000 4.055 3.707 4.439 . 0 0 "[ . 1 .]" 1
368 1 37 ARG QB 1 38 ARG H 0.000 . 6.000 3.087 2.170 3.625 . 0 0 "[ . 1 .]" 1
369 1 34 LYS HA 1 38 ARG H 0.000 . 5.000 3.961 3.799 4.227 . 0 0 "[ . 1 .]" 1
370 1 36 LYS QB 1 38 ARG H 0.000 . 6.000 4.527 4.168 5.069 . 0 0 "[ . 1 .]" 1
371 1 38 ARG H 1 40 ILE H 0.000 . 5.000 4.047 3.699 4.338 . 0 0 "[ . 1 .]" 1
372 1 38 ARG H 1 41 SER H 0.000 . 5.000 5.091 4.960 5.161 0.161 3 0 "[ . 1 .]" 1
373 1 38 ARG H 1 39 ARG H 0.000 . 3.500 2.404 2.070 2.644 . 0 0 "[ . 1 .]" 1
374 1 35 ASP HA 1 38 ARG H 0.000 . 5.000 3.669 3.509 3.945 . 0 0 "[ . 1 .]" 1
375 1 37 ARG HA 1 38 ARG H 0.000 . 5.000 3.445 3.393 3.490 . 0 0 "[ . 1 .]" 1
376 1 38 ARG H 1 39 ARG QD 0.000 . 6.000 5.060 4.150 5.513 . 0 0 "[ . 1 .]" 1
377 1 34 LYS QE 1 38 ARG H 0.000 . 6.000 5.421 5.238 5.579 . 0 0 "[ . 1 .]" 1
378 1 35 ASP QB 1 38 ARG H 0.000 . 6.000 5.021 4.787 5.298 . 0 0 "[ . 1 .]" 1
379 1 38 ARG H 1 39 ARG QG 0.000 . 6.000 4.939 3.816 5.693 . 0 0 "[ . 1 .]" 1
380 1 37 ARG QG 1 38 ARG H 0.000 . 6.000 2.836 1.939 4.053 . 0 0 "[ . 1 .]" 1
381 1 36 LYS QB 1 39 ARG H 0.000 . 6.500 4.564 4.387 4.754 . 0 0 "[ . 1 .]" 1
382 1 36 LYS QG 1 39 ARG H 0.000 . 6.500 5.020 4.421 5.464 . 0 0 "[ . 1 .]" 1
383 1 38 ARG HA 1 39 ARG H 0.000 . 5.000 3.488 3.394 3.579 . 0 0 "[ . 1 .]" 1
384 1 37 ARG HA 1 39 ARG H 0.000 . 5.000 4.070 3.834 4.497 . 0 0 "[ . 1 .]" 1
385 1 38 ARG QB 1 39 ARG H 0.000 . 5.000 2.855 2.686 3.567 . 0 0 "[ . 1 .]" 1
386 1 39 ARG H 1 42 ALA MB 0.000 . 6.500 4.349 4.149 4.780 . 0 0 "[ . 1 .]" 1
387 1 39 ARG H 1 40 ILE MG 0.000 . 6.500 5.724 5.639 5.792 . 0 0 "[ . 1 .]" 1
388 1 39 ARG H 1 40 ILE H 0.000 . 3.500 2.515 2.415 2.594 . 0 0 "[ . 1 .]" 1
389 1 39 ARG H 1 41 SER H 0.000 . 5.000 4.595 4.296 4.764 . 0 0 "[ . 1 .]" 1
390 1 36 LYS H 1 39 ARG H 0.000 . 5.000 4.525 4.315 4.798 . 0 0 "[ . 1 .]" 1
391 1 35 ASP HA 1 39 ARG H 0.000 . 5.000 4.403 4.264 4.710 . 0 0 "[ . 1 .]" 1
392 1 36 LYS HA 1 39 ARG H 0.000 . 3.500 3.087 2.835 3.302 . 0 0 "[ . 1 .]" 1
393 1 39 ARG H 1 39 ARG QD 0.000 . 6.000 3.467 2.591 3.895 . 0 0 "[ . 1 .]" 1
394 1 39 ARG H 1 39 ARG QG 0.000 . 4.500 3.043 1.803 3.941 . 0 0 "[ . 1 .]" 1
395 1 39 ARG H 1 40 ILE QG 0.000 . 6.000 3.873 3.484 4.111 . 0 0 "[ . 1 .]" 1
396 1 38 ARG HA 1 40 ILE H 0.000 . 5.000 4.184 3.942 4.458 . 0 0 "[ . 1 .]" 1
397 1 38 ARG QB 1 40 ILE H 0.000 . 6.000 4.801 4.523 5.212 . 0 0 "[ . 1 .]" 1
398 1 39 ARG QB 1 40 ILE H 0.000 . 5.000 2.662 2.306 3.501 . 0 0 "[ . 1 .]" 1
399 1 40 ILE H 1 41 SER H 0.000 . 3.500 3.014 2.918 3.081 . 0 0 "[ . 1 .]" 1
400 1 40 ILE H 1 43 THR H 0.000 . 5.000 4.513 4.407 4.630 . 0 0 "[ . 1 .]" 1
401 1 40 ILE H 1 42 ALA H 0.000 . 5.000 3.819 3.698 4.084 . 0 0 "[ . 1 .]" 1
402 1 39 ARG HA 1 40 ILE H 0.000 . 3.500 3.510 3.470 3.533 0.033 15 0 "[ . 1 .]" 1
403 1 36 LYS HA 1 40 ILE H 0.000 . 5.000 4.296 3.791 4.764 . 0 0 "[ . 1 .]" 1
404 1 37 ARG HA 1 40 ILE H 0.000 . 5.000 3.510 3.284 3.908 . 0 0 "[ . 1 .]" 1
405 1 39 ARG QD 1 40 ILE H 0.000 . 6.000 4.350 2.471 4.791 . 0 0 "[ . 1 .]" 1
406 1 40 ILE H 1 40 ILE HB 0.000 . 3.500 2.579 2.419 2.925 . 0 0 "[ . 1 .]" 1
407 1 40 ILE H 1 41 SER QB 0.000 . 6.000 4.660 4.364 5.308 . 0 0 "[ . 1 .]" 1
408 1 40 ILE HA 1 41 SER H 0.000 . 5.000 3.569 3.538 3.589 . 0 0 "[ . 1 .]" 1
409 1 41 SER H 1 43 THR H 0.000 . 5.000 4.144 3.942 4.310 . 0 0 "[ . 1 .]" 1
410 1 41 SER H 1 42 ALA H 0.000 . 3.500 2.960 2.890 3.015 . 0 0 "[ . 1 .]" 1
411 1 41 SER H 1 44 THR H 0.000 . 5.000 4.454 4.360 4.668 . 0 0 "[ . 1 .]" 1
412 1 38 ARG HA 1 41 SER H 0.000 . 3.500 3.540 3.455 3.679 0.179 7 0 "[ . 1 .]" 1
413 1 38 ARG QB 1 41 SER H 0.000 . 6.000 5.325 5.158 5.405 . 0 0 "[ . 1 .]" 1
414 1 40 ILE HB 1 41 SER H 0.000 . 5.000 1.771 1.687 1.909 . 0 0 "[ . 1 .]" 1
415 1 41 SER H 1 42 ALA MB 0.000 . 6.500 4.632 4.549 4.719 . 0 0 "[ . 1 .]" 1
416 1 41 SER QB 1 42 ALA H 0.000 . 5.000 3.030 2.674 3.453 . 0 0 "[ . 1 .]" 1
417 1 41 SER HA 1 42 ALA H 0.000 . 5.000 3.528 3.482 3.570 . 0 0 "[ . 1 .]" 1
418 1 42 ALA H 1 43 THR H 0.000 . 3.500 2.392 2.219 2.536 . 0 0 "[ . 1 .]" 1
419 1 42 ALA H 1 44 THR H 0.000 . 5.000 3.750 3.408 4.047 . 0 0 "[ . 1 .]" 1
420 1 42 ALA H 1 45 ASN H 0.000 . 5.000 4.251 3.977 4.583 . 0 0 "[ . 1 .]" 1
421 1 39 ARG H 1 42 ALA H 0.000 . 5.000 4.534 4.397 4.816 . 0 0 "[ . 1 .]" 1
422 1 39 ARG HA 1 42 ALA H 0.000 . 3.500 3.505 3.310 3.588 0.088 4 0 "[ . 1 .]" 1
423 1 42 ALA H 1 42 ALA HA 0.000 . 2.900 2.916 2.876 2.946 0.046 15 0 "[ . 1 .]" 1
424 1 38 ARG HA 1 42 ALA H 0.000 . 5.000 3.796 3.421 4.323 . 0 0 "[ . 1 .]" 1
425 1 40 ILE HB 1 42 ALA H 0.000 . 5.000 4.341 4.201 4.573 . 0 0 "[ . 1 .]" 1
426 1 42 ALA H 1 43 THR MG 0.000 . 6.500 5.316 4.251 5.608 . 0 0 "[ . 1 .]" 1
427 1 40 ILE MG 1 42 ALA H 0.000 . 6.500 4.598 4.392 4.914 . 0 0 "[ . 1 .]" 1
428 1 42 ALA HA 1 43 THR H 0.000 . 5.000 3.434 3.344 3.489 . 0 0 "[ . 1 .]" 1
429 1 43 THR H 1 44 THR H 0.000 . 3.500 2.059 1.956 2.174 . 0 0 "[ . 1 .]" 1
430 1 43 THR H 1 45 ASN H 0.000 . 5.000 3.274 3.109 3.460 . 0 0 "[ . 1 .]" 1
431 1 43 THR H 1 46 LEU H 0.000 . 5.000 5.208 5.075 5.393 0.393 7 0 "[ . 1 .]" 1
432 1 43 THR H 1 44 THR HA 0.000 . 5.000 4.831 4.763 4.896 . 0 0 "[ . 1 .]" 1
433 1 40 ILE HA 1 43 THR H 0.000 . 3.500 3.221 3.034 3.348 . 0 0 "[ . 1 .]" 1
434 1 43 THR H 1 43 THR HB 0.000 . 3.500 2.620 2.188 3.600 0.100 11 0 "[ . 1 .]" 1
435 1 39 ARG QB 1 43 THR H 0.000 . 6.000 4.892 4.544 5.311 . 0 0 "[ . 1 .]" 1
436 1 40 ILE HB 1 43 THR H 0.000 . 5.000 4.961 4.845 5.034 0.034 2 0 "[ . 1 .]" 1
437 1 42 ALA MB 1 43 THR H 0.000 . 4.500 2.793 2.641 2.985 . 0 0 "[ . 1 .]" 1
438 1 43 THR H 1 44 THR MG 0.000 . 4.500 3.626 3.276 3.875 . 0 0 "[ . 1 .]" 1
439 1 40 ILE MG 1 43 THR H 0.000 . 6.500 4.216 4.094 4.323 . 0 0 "[ . 1 .]" 1
440 1 43 THR HA 1 44 THR H 0.000 . 5.000 3.451 3.395 3.525 . 0 0 "[ . 1 .]" 1
441 1 44 THR H 1 45 ASN H 0.000 . 3.500 2.231 2.051 2.400 . 0 0 "[ . 1 .]" 1
442 1 44 THR H 1 46 LEU H 0.000 . 5.000 4.514 3.921 4.876 . 0 0 "[ . 1 .]" 1
443 1 44 THR H 1 44 THR HA 0.000 . 2.900 2.922 2.875 2.956 0.056 5 0 "[ . 1 .]" 1
444 1 41 SER HA 1 44 THR H 0.000 . 3.500 3.400 3.194 3.521 0.021 12 0 "[ . 1 .]" 1
445 1 43 THR HB 1 44 THR H 0.000 . 3.500 2.946 2.511 3.531 0.031 11 0 "[ . 1 .]" 1
446 1 41 SER QB 1 44 THR H 0.000 . 6.000 4.901 4.746 5.047 . 0 0 "[ . 1 .]" 1
447 1 44 THR H 1 45 ASN QB 0.000 . 6.000 4.722 4.521 5.230 . 0 0 "[ . 1 .]" 1
448 1 40 ILE HB 1 44 THR H 0.000 . 5.000 5.136 5.068 5.211 0.211 7 0 "[ . 1 .]" 1
449 1 42 ALA MB 1 44 THR H 0.000 . 6.500 4.427 4.216 4.631 . 0 0 "[ . 1 .]" 1
450 1 40 ILE MG 1 44 THR H 0.000 . 6.500 3.591 3.441 3.920 . 0 0 "[ . 1 .]" 1
451 1 44 THR H 1 46 LEU HG 0.000 . 5.000 4.540 4.081 5.044 0.044 5 0 "[ . 1 .]" 1
452 1 45 ASN H 1 46 LEU H 0.000 . 3.500 2.924 2.515 3.196 . 0 0 "[ . 1 .]" 1
453 1 45 ASN H 1 45 ASN HA 0.000 . 2.900 2.333 2.307 2.372 . 0 0 "[ . 1 .]" 1
454 1 42 ALA HA 1 45 ASN H 0.000 . 3.500 3.454 3.283 3.543 0.043 9 0 "[ . 1 .]" 1
455 1 42 ALA MB 1 45 ASN H 0.000 . 6.500 4.516 4.410 4.658 . 0 0 "[ . 1 .]" 1
456 1 44 THR MG 1 45 ASN H 0.000 . 6.500 3.544 2.023 3.993 . 0 0 "[ . 1 .]" 1
457 1 45 ASN H 1 46 LEU MD1 0.000 . 6.500 4.239 3.453 5.205 . 0 0 "[ . 1 .]" 1
458 1 46 LEU H 1 47 SER H 0.000 . 5.000 3.788 2.901 4.311 . 0 0 "[ . 1 .]" 1
459 1 45 ASN HA 1 46 LEU H 0.000 . 3.500 2.599 2.426 2.904 . 0 0 "[ . 1 .]" 1
460 1 44 THR HB 1 46 LEU H 0.000 . 5.000 5.001 4.093 5.425 0.425 14 0 "[ . 1 .]" 1
461 1 45 ASN QB 1 46 LEU H 0.000 . 6.000 4.017 3.888 4.090 . 0 0 "[ . 1 .]" 1
462 1 46 LEU H 1 48 GLU QG 0.000 . 6.000 5.483 5.194 5.713 . 0 0 "[ . 1 .]" 1
463 1 46 LEU H 1 46 LEU HG 0.000 . 2.900 2.384 2.110 2.933 0.033 2 0 "[ . 1 .]" 1
464 1 46 LEU H 1 46 LEU MD1 0.000 . 5.000 2.987 1.831 3.839 . 0 0 "[ . 1 .]" 1
465 1 47 SER H 1 48 GLU H 0.000 . 5.000 2.912 1.709 3.688 . 0 0 "[ . 1 .]" 1
466 1 47 SER H 1 51 VAL H 0.000 . 5.000 4.403 3.367 5.156 0.156 9 0 "[ . 1 .]" 1
467 1 47 SER H 1 50 GLN H 0.000 . 5.000 4.091 3.072 4.953 . 0 0 "[ . 1 .]" 1
468 1 46 LEU HA 1 47 SER H 0.000 . 3.500 3.239 2.846 3.547 0.047 7 0 "[ . 1 .]" 1
469 1 47 SER H 1 48 GLU HA 0.000 . 5.000 4.507 3.924 4.944 . 0 0 "[ . 1 .]" 1
470 1 47 SER H 1 50 GLN QG 0.000 . 4.500 3.513 2.247 4.135 . 0 0 "[ . 1 .]" 1
471 1 47 SER H 1 48 GLU QB 0.000 . 6.000 5.283 4.804 5.583 . 0 0 "[ . 1 .]" 1
472 1 46 LEU QB 1 47 SER H 0.000 . 6.000 1.690 1.497 2.047 . 0 0 "[ . 1 .]" 1
473 1 46 LEU HG 1 47 SER H 0.000 . 5.000 3.829 2.051 4.442 . 0 0 "[ . 1 .]" 1
474 1 47 SER H 1 51 VAL MG2 0.000 . 6.500 3.754 2.551 4.771 . 0 0 "[ . 1 .]" 1
475 1 46 LEU MD1 1 47 SER H 0.000 . 6.000 2.615 1.535 3.711 . 0 0 "[ . 1 .]" 1
476 1 48 GLU H 1 49 ARG H 0.000 . 3.500 2.793 2.119 3.660 0.160 2 0 "[ . 1 .]" 1
477 1 48 GLU H 1 51 VAL H 0.000 . 5.000 3.360 3.009 3.783 . 0 0 "[ . 1 .]" 1
478 1 48 GLU H 1 50 GLN H 0.000 . 5.000 2.503 1.907 3.510 . 0 0 "[ . 1 .]" 1
479 1 47 SER HA 1 48 GLU H 0.000 . 3.500 3.213 2.963 3.498 . 0 0 "[ . 1 .]" 1
480 1 47 SER QB 1 48 GLU H 0.000 . 6.000 2.381 1.515 3.781 . 0 0 "[ . 1 .]" 1
481 1 48 GLU H 1 49 ARG QB 0.000 . 6.000 4.287 3.540 5.728 . 0 0 "[ . 1 .]" 1
482 1 48 GLU H 1 51 VAL MG2 0.000 . 6.500 3.330 1.892 4.286 . 0 0 "[ . 1 .]" 1
483 1 49 ARG H 1 51 VAL H 0.000 . 5.000 4.159 3.807 4.508 . 0 0 "[ . 1 .]" 1
484 1 49 ARG H 1 50 GLN H 0.000 . 3.500 2.522 2.359 2.655 . 0 0 "[ . 1 .]" 1
485 1 49 ARG H 1 52 THR H 0.000 . 5.000 4.819 4.608 5.029 0.029 15 0 "[ . 1 .]" 1
486 1 47 SER HA 1 49 ARG H 0.000 . 5.000 4.859 4.265 5.196 0.196 15 0 "[ . 1 .]" 1
487 1 48 GLU HA 1 49 ARG H 0.000 . 5.000 3.543 3.516 3.573 . 0 0 "[ . 1 .]" 1
488 1 48 GLU QB 1 49 ARG H 0.000 . 6.000 2.086 1.871 2.304 . 0 0 "[ . 1 .]" 1
489 1 48 GLU QG 1 49 ARG H 0.000 . 6.000 3.790 3.217 4.129 . 0 0 "[ . 1 .]" 1
490 1 49 ARG H 1 51 VAL MG2 0.000 . 6.500 4.737 4.132 5.117 . 0 0 "[ . 1 .]" 1
491 1 49 ARG H 1 52 THR MG 0.000 . 6.500 5.560 5.317 5.657 . 0 0 "[ . 1 .]" 1
492 1 50 GLN H 1 51 VAL H 0.000 . 3.500 2.566 2.456 2.763 . 0 0 "[ . 1 .]" 1
493 1 50 GLN H 1 52 THR H 0.000 . 5.000 4.069 3.912 4.254 . 0 0 "[ . 1 .]" 1
494 1 50 GLN H 1 53 ILE H 0.000 . 5.000 4.484 4.342 4.620 . 0 0 "[ . 1 .]" 1
495 1 47 SER HA 1 50 GLN H 0.000 . 5.000 4.990 4.534 5.218 0.218 14 0 "[ . 1 .]" 1
496 1 49 ARG HA 1 50 GLN H 0.000 . 5.000 3.436 3.372 3.481 . 0 0 "[ . 1 .]" 1
497 1 47 SER QB 1 50 GLN H 0.000 . 6.000 2.616 2.399 2.989 . 0 0 "[ . 1 .]" 1
498 1 48 GLU HA 1 50 GLN H 0.000 . 5.000 3.831 3.556 4.175 . 0 0 "[ . 1 .]" 1
499 1 49 ARG QB 1 50 GLN H 0.000 . 5.000 2.837 2.656 3.159 . 0 0 "[ . 1 .]" 1
500 1 50 GLN H 1 53 ILE MG 0.000 . 6.500 5.474 5.401 5.583 . 0 0 "[ . 1 .]" 1
501 1 51 VAL H 1 52 THR H 0.000 . 3.500 2.547 2.381 2.709 . 0 0 "[ . 1 .]" 1
502 1 51 VAL H 1 53 ILE H 0.000 . 5.000 3.798 3.545 4.096 . 0 0 "[ . 1 .]" 1
503 1 51 VAL H 1 54 TRP H 0.000 . 5.000 4.212 4.119 4.367 . 0 0 "[ . 1 .]" 1
504 1 51 VAL H 1 52 THR HB 0.000 . 5.000 5.049 4.417 5.223 0.223 5 0 "[ . 1 .]" 1
505 1 49 ARG HA 1 51 VAL H 0.000 . 5.000 4.231 4.026 4.586 . 0 0 "[ . 1 .]" 1
506 1 48 GLU HA 1 51 VAL H 0.000 . 3.500 3.074 2.770 3.405 . 0 0 "[ . 1 .]" 1
507 1 48 GLU QG 1 51 VAL H 0.000 . 6.000 4.932 4.675 5.155 . 0 0 "[ . 1 .]" 1
508 1 51 VAL H 1 51 VAL HB 0.000 . 3.500 2.684 2.546 2.850 . 0 0 "[ . 1 .]" 1
509 1 48 GLU QB 1 51 VAL H 0.000 . 5.000 4.477 4.280 4.690 . 0 0 "[ . 1 .]" 1
510 1 50 GLN HA 1 51 VAL H 0.000 . 5.000 3.551 3.504 3.582 . 0 0 "[ . 1 .]" 1
511 1 52 THR H 1 53 ILE H 0.000 . 3.500 2.676 2.544 2.829 . 0 0 "[ . 1 .]" 1
512 1 52 THR H 1 55 PHE H 0.000 . 5.000 4.602 4.516 4.747 . 0 0 "[ . 1 .]" 1
513 1 52 THR H 1 54 TRP H 0.000 . 5.000 3.736 3.605 3.836 . 0 0 "[ . 1 .]" 1
514 1 52 THR H 1 55 PHE QE 0.000 . 7.000 5.623 5.003 5.994 . 0 0 "[ . 1 .]" 1
515 1 52 THR H 1 52 THR HB 0.000 . 3.500 2.987 2.050 3.205 . 0 0 "[ . 1 .]" 1
516 1 49 ARG HA 1 52 THR H 0.000 . 3.500 3.380 3.032 3.608 0.108 3 0 "[ . 1 .]" 1
517 1 51 VAL HA 1 52 THR H 0.000 . 5.000 3.471 3.412 3.531 . 0 0 "[ . 1 .]" 1
518 1 52 THR H 1 55 PHE QB 0.000 . 6.000 5.100 5.008 5.212 . 0 0 "[ . 1 .]" 1
519 1 51 VAL HB 1 52 THR H 0.000 . 3.500 2.222 2.028 2.394 . 0 0 "[ . 1 .]" 1
520 1 52 THR H 1 53 ILE HB 0.000 . 5.000 4.442 4.281 4.617 . 0 0 "[ . 1 .]" 1
521 1 52 THR H 1 53 ILE QG 0.000 . 6.000 5.439 5.232 5.732 . 0 0 "[ . 1 .]" 1
522 1 52 THR H 1 52 THR MG 0.000 . 4.500 3.313 3.168 3.660 . 0 0 "[ . 1 .]" 1
523 1 51 VAL MG1 1 52 THR H 0.000 . 5.000 3.477 3.259 3.707 . 0 0 "[ . 1 .]" 1
524 1 48 GLU H 1 52 THR H 0.000 . 5.000 5.217 5.024 5.313 0.313 13 0 "[ . 1 .]" 1
525 1 50 GLN HA 1 52 THR H 0.000 . 5.000 4.577 4.372 4.740 . 0 0 "[ . 1 .]" 1
526 1 48 GLU HA 1 52 THR H 0.000 . 5.000 4.137 3.678 4.489 . 0 0 "[ . 1 .]" 1
527 1 50 GLN QB 1 52 THR H 0.000 . 6.000 4.667 4.534 4.816 . 0 0 "[ . 1 .]" 1
528 1 53 ILE H 1 56 GLN H 0.000 . 5.000 4.735 4.578 4.929 . 0 0 "[ . 1 .]" 1
529 1 52 THR MG 1 53 ILE H 0.000 . 5.000 3.815 2.081 4.164 . 0 0 "[ . 1 .]" 1
530 1 53 ILE H 1 54 TRP HA 0.000 . 5.000 5.026 5.001 5.080 0.080 6 0 "[ . 1 .]" 1
531 1 52 THR HA 1 53 ILE H 0.000 . 5.000 3.484 3.450 3.516 . 0 0 "[ . 1 .]" 1
532 1 50 GLN HA 1 53 ILE H 0.000 . 4.000 3.308 3.105 3.452 . 0 0 "[ . 1 .]" 1
533 1 52 THR HB 1 53 ILE H 0.000 . 5.000 2.565 2.209 3.198 . 0 0 "[ . 1 .]" 1
534 1 54 TRP H 1 57 ASN H 0.000 . 5.000 4.595 4.373 4.744 . 0 0 "[ . 1 .]" 1
535 1 54 TRP H 1 55 PHE H 0.000 . 3.500 2.476 2.364 2.560 . 0 0 "[ . 1 .]" 1
536 1 53 ILE H 1 54 TRP H 0.000 . 3.500 2.362 2.334 2.433 . 0 0 "[ . 1 .]" 1
537 1 54 TRP H 1 56 GLN H 0.000 . 5.000 3.977 3.788 4.153 . 0 0 "[ . 1 .]" 1
538 1 51 VAL HA 1 54 TRP H 0.000 . 4.000 2.839 2.629 3.022 . 0 0 "[ . 1 .]" 1
539 1 54 TRP H 1 55 PHE QD 0.000 . 7.000 4.022 3.647 4.810 . 0 0 "[ . 1 .]" 1
540 1 54 TRP H 1 55 PHE QE 0.000 . 7.000 5.767 5.460 6.208 . 0 0 "[ . 1 .]" 1
541 1 54 TRP H 1 57 ASN HB2 0.000 . 5.000 4.848 4.418 5.049 0.049 2 0 "[ . 1 .]" 1
542 1 54 TRP HE1 1 58 ARG QG 0.000 . 4.500 3.987 3.781 4.166 . 0 0 "[ . 1 .]" 1
543 1 53 ILE HA 1 54 TRP H 0.000 . 5.000 3.455 3.412 3.485 . 0 0 "[ . 1 .]" 1
544 1 52 THR HA 1 54 TRP H 0.000 . 5.000 4.136 3.997 4.340 . 0 0 "[ . 1 .]" 1
545 1 53 ILE HB 1 54 TRP H 0.000 . 3.500 3.036 2.804 3.155 . 0 0 "[ . 1 .]" 1
546 1 52 THR HB 1 54 TRP H 0.000 . 5.000 4.650 4.351 5.009 0.009 11 0 "[ . 1 .]" 1
547 1 51 VAL HB 1 54 TRP H 0.000 . 5.000 4.754 4.666 4.831 . 0 0 "[ . 1 .]" 1
548 1 54 TRP H 1 55 PHE HA 0.000 . 5.000 5.135 5.062 5.189 0.189 8 0 "[ . 1 .]" 1
549 1 55 PHE H 1 56 GLN H 0.000 . 3.500 2.687 2.586 2.842 . 0 0 "[ . 1 .]" 1
550 1 55 PHE H 1 57 ASN H 0.000 . 5.000 3.973 3.765 4.131 . 0 0 "[ . 1 .]" 1
551 1 53 ILE H 1 55 PHE H 0.000 . 5.000 3.979 3.814 4.150 . 0 0 "[ . 1 .]" 1
552 1 54 TRP HA 1 55 PHE H 0.000 . 3.500 3.524 3.503 3.544 0.044 3 0 "[ . 1 .]" 1
553 1 52 THR HA 1 55 PHE H 0.000 . 4.000 3.508 3.245 3.683 . 0 0 "[ . 1 .]" 1
554 1 53 ILE HA 1 55 PHE H 0.000 . 5.000 4.194 3.903 4.490 . 0 0 "[ . 1 .]" 1
555 1 54 TRP HB2 1 55 PHE H 0.000 . 3.500 3.447 3.111 3.630 0.130 5 0 "[ . 1 .]" 1
556 1 54 TRP HB3 1 55 PHE H 0.000 . 3.500 2.458 2.343 2.556 . 0 0 "[ . 1 .]" 1
557 1 55 PHE H 1 55 PHE HB2 0.000 . 3.500 2.207 2.160 2.246 . 0 0 "[ . 1 .]" 1
558 1 52 THR HB 1 55 PHE H 0.000 . 5.000 5.323 5.225 5.489 0.489 11 0 "[ . 1 .]" 1
559 1 51 VAL HB 1 55 PHE H 0.000 . 5.000 5.188 5.011 5.381 0.381 14 0 "[ . 1 .]" 1
560 1 55 PHE H 1 56 GLN QB 0.000 . 6.000 4.505 4.267 4.885 . 0 0 "[ . 1 .]" 1
561 1 52 THR MG 1 55 PHE H 0.000 . 6.500 4.999 4.573 5.196 . 0 0 "[ . 1 .]" 1
562 1 53 ILE MG 1 55 PHE H 0.000 . 6.500 4.604 4.356 4.944 . 0 0 "[ . 1 .]" 1
563 1 55 PHE H 1 58 ARG HB2 0.000 . 5.000 4.622 4.517 4.755 . 0 0 "[ . 1 .]" 1
564 1 53 ILE MD 1 55 PHE H 0.000 . 6.500 5.261 4.960 5.426 . 0 0 "[ . 1 .]" 1
565 1 54 TRP HE3 1 55 PHE H 0.000 . 5.000 5.095 4.761 5.226 0.226 1 0 "[ . 1 .]" 1
566 1 56 GLN H 1 57 ASN H 0.000 . 3.500 2.564 2.436 2.696 . 0 0 "[ . 1 .]" 1
567 1 56 GLN H 1 58 ARG H 0.000 . 5.000 3.887 3.609 4.180 . 0 0 "[ . 1 .]" 1
568 1 56 GLN H 1 59 ARG H 0.000 . 5.000 4.629 4.450 4.789 . 0 0 "[ . 1 .]" 1
569 1 53 ILE HA 1 56 GLN H 0.000 . 3.500 3.147 2.844 3.486 . 0 0 "[ . 1 .]" 1
570 1 54 TRP HB3 1 56 GLN H 0.000 . 5.000 4.914 4.694 5.044 0.044 6 0 "[ . 1 .]" 1
571 1 55 PHE HB2 1 56 GLN H 0.000 . 5.000 2.691 2.549 2.811 . 0 0 "[ . 1 .]" 1
572 1 56 GLN H 1 56 GLN QG 0.000 . 5.000 2.886 1.937 3.902 . 0 0 "[ . 1 .]" 1
573 1 56 GLN H 1 56 GLN HB3 0.000 . 3.500 3.309 2.751 3.593 0.093 4 0 "[ . 1 .]" 1
574 1 56 GLN H 1 56 GLN HB2 0.000 . 3.500 2.303 2.083 2.586 . 0 0 "[ . 1 .]" 1
575 1 52 THR MG 1 56 GLN H 0.000 . 6.500 5.133 4.398 5.384 . 0 0 "[ . 1 .]" 1
576 1 53 ILE MG 1 56 GLN H 0.000 . 6.500 4.439 4.137 4.711 . 0 0 "[ . 1 .]" 1
577 1 57 ASN H 1 58 ARG H 0.000 . 3.500 2.255 2.092 2.486 . 0 0 "[ . 1 .]" 1
578 1 57 ASN H 1 59 ARG H 0.000 . 5.000 3.528 3.385 3.694 . 0 0 "[ . 1 .]" 1
579 1 57 ASN H 1 60 VAL H 0.000 . 5.000 4.487 4.346 4.650 . 0 0 "[ . 1 .]" 1
580 1 56 GLN HA 1 57 ASN H 0.000 . 3.500 3.486 3.433 3.528 0.028 9 0 "[ . 1 .]" 1
581 1 55 PHE HA 1 57 ASN H 0.000 . 5.000 4.100 3.870 4.327 . 0 0 "[ . 1 .]" 1
582 1 54 TRP HA 1 57 ASN H 0.000 . 3.500 3.351 3.199 3.494 . 0 0 "[ . 1 .]" 1
583 1 57 ASN H 1 58 ARG HB2 0.000 . 5.000 3.969 3.799 4.229 . 0 0 "[ . 1 .]" 1
584 1 57 ASN H 1 60 VAL MG2 0.000 . 6.000 5.784 5.645 6.060 0.060 2 0 "[ . 1 .]" 1
585 1 56 GLN HB2 1 57 ASN H 0.000 . 5.000 3.107 2.666 3.738 . 0 0 "[ . 1 .]" 1
586 1 56 GLN HB3 1 57 ASN H 0.000 . 5.000 3.361 2.602 3.956 . 0 0 "[ . 1 .]" 1
587 1 57 ASN H 1 57 ASN HB2 0.000 . 3.500 2.188 2.104 2.412 . 0 0 "[ . 1 .]" 1
588 1 57 ASN H 1 57 ASN HB3 0.000 . 3.500 3.278 2.818 3.520 0.020 15 0 "[ . 1 .]" 1
589 1 57 ASN H 1 58 ARG HB3 0.000 . 5.000 5.246 5.180 5.352 0.352 14 0 "[ . 1 .]" 1
590 1 55 PHE H 1 58 ARG H 0.000 . 5.000 4.625 4.508 4.726 . 0 0 "[ . 1 .]" 1
591 1 58 ARG H 1 59 ARG H 0.000 . 2.900 2.372 2.125 2.603 . 0 0 "[ . 1 .]" 1
592 1 58 ARG H 1 60 VAL H 0.000 . 5.000 3.712 3.485 3.899 . 0 0 "[ . 1 .]" 1
593 1 57 ASN HA 1 58 ARG H 0.000 . 5.000 3.420 3.324 3.491 . 0 0 "[ . 1 .]" 1
594 1 56 GLN HA 1 58 ARG H 0.000 . 5.000 4.107 3.631 4.488 . 0 0 "[ . 1 .]" 1
595 1 55 PHE HA 1 58 ARG H 0.000 . 3.500 3.298 3.141 3.510 0.010 9 0 "[ . 1 .]" 1
596 1 57 ASN HB3 1 58 ARG H 0.000 . 5.000 3.145 2.495 3.616 . 0 0 "[ . 1 .]" 1
597 1 57 ASN HB2 1 58 ARG H 0.000 . 3.500 3.079 2.664 3.508 0.008 6 0 "[ . 1 .]" 1
598 1 56 GLN HB2 1 58 ARG H 0.000 . 5.000 4.995 4.818 5.100 0.100 14 0 "[ . 1 .]" 1
599 1 58 ARG H 1 61 LYS HB2 0.000 . 5.000 4.958 4.601 5.077 0.077 11 0 "[ . 1 .]" 1
600 1 58 ARG H 1 58 ARG QG 0.000 . 5.000 3.389 2.977 3.696 . 0 0 "[ . 1 .]" 1
601 1 58 ARG H 1 58 ARG HB2 0.000 . 3.500 2.039 1.992 2.128 . 0 0 "[ . 1 .]" 1
602 1 59 ARG H 1 62 GLU H 0.000 . 5.000 4.634 4.566 4.786 . 0 0 "[ . 1 .]" 1
603 1 59 ARG H 1 60 VAL H 0.000 . 3.500 2.056 2.031 2.110 . 0 0 "[ . 1 .]" 1
604 1 56 GLN HA 1 59 ARG H 0.000 . 3.500 3.180 2.889 3.404 . 0 0 "[ . 1 .]" 1
605 1 59 ARG H 1 60 VAL HA 0.000 . 5.000 4.813 4.759 4.837 . 0 0 "[ . 1 .]" 1
606 1 58 ARG HA 1 59 ARG H 0.000 . 5.000 3.431 3.394 3.461 . 0 0 "[ . 1 .]" 1
607 1 57 ASN HA 1 59 ARG H 0.000 . 3.500 3.614 3.553 3.673 0.173 11 0 "[ . 1 .]" 1
608 1 58 ARG HB3 1 59 ARG H 0.000 . 4.000 3.370 3.143 3.577 . 0 0 "[ . 1 .]" 1
609 1 59 ARG H 1 61 LYS QB 0.000 . 6.000 4.598 4.398 4.898 . 0 0 "[ . 1 .]" 1
610 1 59 ARG H 1 60 VAL HB 0.000 . 3.500 3.746 3.691 3.787 0.287 9 0 "[ . 1 .]" 1
611 1 59 ARG H 1 60 VAL MG2 0.000 . 6.500 5.004 4.949 5.094 . 0 0 "[ . 1 .]" 1
612 1 58 ARG QG 1 59 ARG H 0.000 . 6.000 4.635 4.501 4.724 . 0 0 "[ . 1 .]" 1
613 1 58 ARG HB2 1 59 ARG H 0.000 . 3.500 3.393 3.116 3.576 0.076 1 0 "[ . 1 .]" 1
614 1 56 GLN HB2 1 59 ARG H 0.000 . 5.000 5.210 5.154 5.278 0.278 11 0 "[ . 1 .]" 1
615 1 60 VAL H 1 63 LYS H 0.000 . 5.000 4.948 4.654 5.085 0.085 10 0 "[ . 1 .]" 1
616 1 60 VAL H 1 62 GLU H 0.000 . 5.000 3.795 3.619 3.992 . 0 0 "[ . 1 .]" 1
617 1 60 VAL H 1 61 LYS H 0.000 . 3.500 2.202 2.120 2.381 . 0 0 "[ . 1 .]" 1
618 1 59 ARG HA 1 60 VAL H 0.000 . 3.500 3.372 3.336 3.431 . 0 0 "[ . 1 .]" 1
619 1 60 VAL H 1 61 LYS HA 0.000 . 5.000 4.916 4.860 5.066 0.066 6 0 "[ . 1 .]" 1
620 1 57 ASN HA 1 60 VAL H 0.000 . 3.500 3.006 2.900 3.214 . 0 0 "[ . 1 .]" 1
621 1 60 VAL H 1 60 VAL HB 0.000 . 2.900 2.124 2.034 2.178 . 0 0 "[ . 1 .]" 1
622 1 60 VAL H 1 61 LYS QB 0.000 . 5.000 3.954 3.876 4.066 . 0 0 "[ . 1 .]" 1
623 1 60 VAL H 1 63 LYS QG 0.000 . 6.000 4.709 4.314 5.092 . 0 0 "[ . 1 .]" 1
624 1 58 ARG HA 1 60 VAL H 0.000 . 5.000 3.921 3.791 4.228 . 0 0 "[ . 1 .]" 1
625 1 56 GLN HA 1 60 VAL H 0.000 . 5.000 4.373 4.224 4.580 . 0 0 "[ . 1 .]" 1
626 1 59 ARG QB 1 60 VAL H 0.000 . 5.000 2.868 2.685 2.995 . 0 0 "[ . 1 .]" 1
627 1 58 ARG QB 1 60 VAL H 0.000 . 6.000 4.472 4.398 4.622 . 0 0 "[ . 1 .]" 1
628 1 61 LYS H 1 64 LYS H 0.000 . 5.000 4.904 4.570 5.209 0.209 14 0 "[ . 1 .]" 1
629 1 61 LYS H 1 62 GLU H 0.000 . 5.000 2.263 2.176 2.372 . 0 0 "[ . 1 .]" 1
630 1 61 LYS H 1 63 LYS H 0.000 . 5.000 3.872 3.613 4.113 . 0 0 "[ . 1 .]" 1
631 1 58 ARG H 1 61 LYS H 0.000 . 5.000 4.581 4.420 4.743 . 0 0 "[ . 1 .]" 1
632 1 59 ARG H 1 61 LYS H 0.000 . 5.000 3.530 3.378 3.715 . 0 0 "[ . 1 .]" 1
633 1 60 VAL HB 1 61 LYS H 0.000 . 5.000 3.522 3.419 3.606 . 0 0 "[ . 1 .]" 1
634 1 61 LYS H 1 61 LYS HB3 0.000 . 3.500 2.993 2.526 3.531 0.031 1 0 "[ . 1 .]" 1
635 1 58 ARG HA 1 61 LYS H 0.000 . 3.500 3.235 3.118 3.472 . 0 0 "[ . 1 .]" 1
636 1 60 VAL HA 1 61 LYS H 0.000 . 3.500 3.413 3.337 3.470 . 0 0 "[ . 1 .]" 1
637 1 59 ARG HA 1 61 LYS H 0.000 . 5.000 3.884 3.652 4.103 . 0 0 "[ . 1 .]" 1
638 1 57 ASN HA 1 61 LYS H 0.000 . 5.000 4.171 3.976 4.407 . 0 0 "[ . 1 .]" 1
639 1 62 GLU H 1 64 LYS H 0.000 . 5.000 3.919 3.718 4.271 . 0 0 "[ . 1 .]" 1
640 1 62 GLU H 1 63 LYS H 0.000 . 3.500 2.479 2.393 2.552 . 0 0 "[ . 1 .]" 1
641 1 59 ARG HA 1 62 GLU H 0.000 . 3.500 3.349 3.104 3.495 . 0 0 "[ . 1 .]" 1
642 1 61 LYS HA 1 62 GLU H 0.000 . 3.500 3.494 3.451 3.524 0.024 15 0 "[ . 1 .]" 1
643 1 60 VAL HA 1 62 GLU H 0.000 . 5.000 4.235 4.090 4.355 . 0 0 "[ . 1 .]" 1
644 1 62 GLU H 1 63 LYS HA 0.000 . 5.000 5.146 5.064 5.186 0.186 8 0 "[ . 1 .]" 1
645 1 62 GLU H 1 62 GLU HG2 0.000 . 3.500 2.892 2.208 3.590 0.090 11 0 "[ . 1 .]" 1
646 1 62 GLU H 1 62 GLU HG3 0.000 . 3.500 3.272 2.564 3.629 0.129 10 0 "[ . 1 .]" 1
647 1 61 LYS QB 1 62 GLU H 0.000 . 4.500 2.800 2.620 3.005 . 0 0 "[ . 1 .]" 1
648 1 62 GLU H 1 63 LYS QG 0.000 . 4.500 3.812 3.509 4.115 . 0 0 "[ . 1 .]" 1
649 1 60 VAL MG2 1 62 GLU H 0.000 . 6.500 5.486 5.370 5.595 . 0 0 "[ . 1 .]" 1
650 1 63 LYS H 1 64 LYS H 0.000 . 5.000 2.522 2.284 2.760 . 0 0 "[ . 1 .]" 1
651 1 63 LYS H 1 63 LYS HA 0.000 . 2.900 2.872 2.787 2.936 0.036 11 0 "[ . 1 .]" 1
652 1 60 VAL HA 1 63 LYS H 0.000 . 5.000 3.757 3.514 3.937 . 0 0 "[ . 1 .]" 1
653 1 62 GLU QG 1 63 LYS H 0.000 . 6.000 2.662 1.657 4.391 . 0 0 "[ . 1 .]" 1
654 1 62 GLU HB3 1 63 LYS H 0.000 . 3.500 3.604 3.498 3.677 0.177 8 0 "[ . 1 .]" 1
655 1 60 VAL MG1 1 63 LYS H 0.000 . 6.500 4.942 4.549 5.241 . 0 0 "[ . 1 .]" 1
656 1 63 LYS QB 1 64 LYS H 0.000 . 5.000 3.266 2.480 3.771 . 0 0 "[ . 1 .]" 1
657 1 63 LYS QG 1 64 LYS H 0.000 . 5.000 3.190 2.121 4.235 . 0 0 "[ . 1 .]" 1
658 1 64 LYS H 1 65 VAL MG2 0.000 . 6.500 4.438 3.299 5.644 . 0 0 "[ . 1 .]" 1
659 1 63 LYS HG2 1 65 VAL H 0.000 . 5.000 5.097 4.960 5.187 0.187 8 0 "[ . 1 .]" 1
660 1 64 LYS HA 1 65 VAL H 0.000 . 3.500 3.245 3.001 3.480 . 0 0 "[ . 1 .]" 1
661 1 32 ILE MD 1 37 ARG H 0.000 . 5.000 3.542 3.114 4.003 . 0 0 "[ . 1 .]" 1
662 1 32 ILE MD 1 40 ILE H 0.000 . 6.500 5.122 5.031 5.269 . 0 0 "[ . 1 .]" 1
663 1 41 SER H 1 54 TRP HE3 0.000 . 5.000 5.484 5.313 5.686 0.686 11 7 "[* **. *-1+ *]" 1
664 1 41 SER H 1 51 VAL MG2 0.000 . 4.500 2.155 1.660 2.526 . 0 0 "[ . 1 .]" 1
665 1 32 ILE MD 1 52 THR H 0.000 . 6.500 5.537 5.467 5.617 . 0 0 "[ . 1 .]" 1
666 1 22 LEU MD2 1 54 TRP HE1 0.000 . 6.000 3.662 2.184 4.522 . 0 0 "[ . 1 .]" 1
667 1 22 LEU MD2 1 54 TRP H 0.000 . 6.500 5.183 4.906 5.330 . 0 0 "[ . 1 .]" 1
668 1 32 ILE MD 1 55 PHE H 0.000 . 6.500 5.479 5.402 5.602 . 0 0 "[ . 1 .]" 1
669 1 31 PHE QE 1 55 PHE H 0.000 . 5.500 4.645 4.509 4.837 . 0 0 "[ . 1 .]" 1
670 1 31 PHE HZ 1 55 PHE H 0.000 . 5.000 3.914 3.719 4.060 . 0 0 "[ . 1 .]" 1
671 1 26 TYR QE 1 58 ARG H 0.000 . 7.000 4.840 3.938 6.197 . 0 0 "[ . 1 .]" 1
672 1 26 TYR QD 1 58 ARG H 0.000 . 7.000 5.652 5.100 6.520 . 0 0 "[ . 1 .]" 1
673 1 26 TYR QE 1 59 ARG H 0.000 . 7.000 4.410 3.466 5.210 . 0 0 "[ . 1 .]" 1
674 1 26 TYR QD 1 59 ARG H 0.000 . 7.000 5.803 5.246 6.217 . 0 0 "[ . 1 .]" 1
675 1 26 TYR QE 1 31 PHE QE 0.000 . 7.000 3.933 3.021 4.712 . 0 0 "[ . 1 .]" 1
676 1 26 TYR QD 1 31 PHE QE 0.000 . 7.000 5.227 4.581 5.756 . 0 0 "[ . 1 .]" 1
677 1 54 TRP HE3 1 55 PHE QE 0.000 . 7.000 4.759 3.224 6.013 . 0 0 "[ . 1 .]" 1
678 1 54 TRP HD1 1 55 PHE QE 0.000 . 7.000 6.348 5.949 6.820 . 0 0 "[ . 1 .]" 1
679 1 31 PHE QE 1 55 PHE QE 0.000 . 6.000 4.152 3.694 4.454 . 0 0 "[ . 1 .]" 1
680 1 26 TYR QE 1 58 ARG QB 0.000 . 7.000 3.128 2.084 4.273 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 226.364
_Distance_constraint_stats_list.Viol_max 0.322
_Distance_constraint_stats_list.Viol_rms 0.0441
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0186
_Distance_constraint_stats_list.Viol_average_violations_only 0.0736
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 LYS 0.648 0.124 2 0 "[ . 1 .]"
1 17 VAL 0.120 0.047 8 0 "[ . 1 .]"
1 18 GLN 1.376 0.257 2 0 "[ . 1 .]"
1 19 LEU 0.264 0.084 14 0 "[ . 1 .]"
1 20 LYS 1.561 0.154 10 0 "[ . 1 .]"
1 21 GLU 0.469 0.101 11 0 "[ . 1 .]"
1 22 LEU 3.476 0.258 11 0 "[ . 1 .]"
1 23 GLU 0.349 0.084 14 0 "[ . 1 .]"
1 24 ARG 1.023 0.154 10 0 "[ . 1 .]"
1 25 GLU 0.349 0.101 11 0 "[ . 1 .]"
1 26 TYR 2.100 0.258 11 0 "[ . 1 .]"
1 27 ALA 0.085 0.032 6 0 "[ . 1 .]"
1 28 THR 0.109 0.061 2 0 "[ . 1 .]"
1 34 LYS 0.507 0.104 1 0 "[ . 1 .]"
1 35 ASP 2.199 0.322 12 0 "[ . 1 .]"
1 36 LYS 1.460 0.180 14 0 "[ . 1 .]"
1 37 ARG 1.163 0.187 11 0 "[ . 1 .]"
1 38 ARG 0.535 0.104 1 0 "[ . 1 .]"
1 39 ARG 2.199 0.322 12 0 "[ . 1 .]"
1 40 ILE 1.460 0.180 14 0 "[ . 1 .]"
1 41 SER 1.163 0.187 11 0 "[ . 1 .]"
1 42 ALA 0.027 0.027 10 0 "[ . 1 .]"
1 43 THR 0.000 0.000 . 0 "[ . 1 .]"
1 44 THR 0.000 0.000 . 0 "[ . 1 .]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 49 ARG 0.058 0.058 14 0 "[ . 1 .]"
1 50 GLN 0.069 0.069 14 0 "[ . 1 .]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 52 THR 0.477 0.089 4 0 "[ . 1 .]"
1 53 ILE 0.113 0.058 14 0 "[ . 1 .]"
1 54 TRP 0.089 0.069 14 0 "[ . 1 .]"
1 55 PHE 0.521 0.103 8 0 "[ . 1 .]"
1 56 GLN 0.795 0.089 4 0 "[ . 1 .]"
1 57 ASN 0.177 0.030 5 0 "[ . 1 .]"
1 58 ARG 2.149 0.194 6 0 "[ . 1 .]"
1 59 ARG 0.521 0.103 8 0 "[ . 1 .]"
1 60 VAL 0.318 0.085 12 0 "[ . 1 .]"
1 61 LYS 0.122 0.030 5 0 "[ . 1 .]"
1 62 GLU 2.129 0.194 6 0 "[ . 1 .]"
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 16 LYS O 1 20 LYS N 0.000 . 3.300 2.871 2.398 3.160 . 0 0 "[ . 1 .]" 2
2 1 16 LYS O 1 20 LYS H 0.000 . 2.300 2.162 1.597 2.424 0.124 2 0 "[ . 1 .]" 2
3 1 17 VAL O 1 21 GLU N 0.000 . 3.300 3.030 2.428 3.211 . 0 0 "[ . 1 .]" 2
4 1 17 VAL O 1 21 GLU H 0.000 . 2.300 2.143 1.564 2.347 0.047 8 0 "[ . 1 .]" 2
5 1 18 GLN O 1 22 LEU N 0.000 . 3.300 3.168 2.992 3.291 . 0 0 "[ . 1 .]" 2
6 1 18 GLN O 1 22 LEU H 0.000 . 2.300 2.392 2.318 2.557 0.257 2 0 "[ . 1 .]" 2
7 1 19 LEU O 1 23 GLU N 0.000 . 3.300 3.200 3.067 3.339 0.039 14 0 "[ . 1 .]" 2
8 1 19 LEU O 1 23 GLU H 0.000 . 2.300 2.285 2.184 2.384 0.084 14 0 "[ . 1 .]" 2
9 1 20 LYS O 1 24 ARG N 0.000 . 3.300 3.087 2.823 3.251 . 0 0 "[ . 1 .]" 2
10 1 20 LYS O 1 24 ARG H 0.000 . 2.300 2.321 1.988 2.454 0.154 10 0 "[ . 1 .]" 2
11 1 21 GLU O 1 25 GLU N 0.000 . 3.300 3.203 3.018 3.316 0.016 10 0 "[ . 1 .]" 2
12 1 21 GLU O 1 25 GLU H 0.000 . 2.300 2.284 2.048 2.401 0.101 11 0 "[ . 1 .]" 2
13 1 22 LEU O 1 26 TYR N 0.000 . 3.300 3.193 3.006 3.380 0.080 3 0 "[ . 1 .]" 2
14 1 22 LEU O 1 26 TYR H 0.000 . 2.300 2.430 2.250 2.558 0.258 11 0 "[ . 1 .]" 2
15 1 23 GLU O 1 27 ALA N 0.000 . 3.300 3.080 2.728 3.206 . 0 0 "[ . 1 .]" 2
16 1 23 GLU O 1 27 ALA H 0.000 . 2.300 2.240 1.857 2.332 0.032 6 0 "[ . 1 .]" 2
17 1 24 ARG O 1 28 THR N 0.000 . 3.300 2.775 2.350 3.086 . 0 0 "[ . 1 .]" 2
18 1 24 ARG O 1 28 THR H 0.000 . 2.300 2.070 1.584 2.361 0.061 2 0 "[ . 1 .]" 2
19 1 34 LYS O 1 38 ARG N 0.000 . 3.300 3.081 2.869 3.272 . 0 0 "[ . 1 .]" 2
20 1 34 LYS O 1 38 ARG H 0.000 . 2.300 2.261 2.030 2.404 0.104 1 0 "[ . 1 .]" 2
21 1 35 ASP O 1 39 ARG N 0.000 . 3.300 3.161 2.999 3.287 . 0 0 "[ . 1 .]" 2
22 1 35 ASP O 1 39 ARG H 0.000 . 2.300 2.447 2.345 2.622 0.322 12 0 "[ . 1 .]" 2
23 1 36 LYS O 1 40 ILE N 0.000 . 3.300 3.272 2.728 3.409 0.109 11 0 "[ . 1 .]" 2
24 1 36 LYS O 1 40 ILE H 0.000 . 2.300 2.340 1.771 2.480 0.180 14 0 "[ . 1 .]" 2
25 1 37 ARG O 1 41 SER N 0.000 . 3.300 3.260 2.971 3.384 0.084 11 0 "[ . 1 .]" 2
26 1 37 ARG O 1 41 SER H 0.000 . 2.300 2.336 2.093 2.487 0.187 11 0 "[ . 1 .]" 2
27 1 38 ARG O 1 42 ALA N 0.000 . 3.300 2.718 2.473 3.140 . 0 0 "[ . 1 .]" 2
28 1 38 ARG O 1 42 ALA H 0.000 . 2.300 1.897 1.629 2.327 0.027 10 0 "[ . 1 .]" 2
29 1 39 ARG O 1 43 THR N 0.000 . 3.300 2.693 2.522 2.862 . 0 0 "[ . 1 .]" 2
30 1 39 ARG O 1 43 THR H 0.000 . 2.300 2.042 1.795 2.266 . 0 0 "[ . 1 .]" 2
31 1 40 ILE O 1 44 THR N 0.000 . 3.300 2.486 2.409 2.750 . 0 0 "[ . 1 .]" 2
32 1 40 ILE O 1 44 THR H 0.000 . 2.300 1.532 1.461 1.787 . 0 0 "[ . 1 .]" 2
33 1 48 GLU O 1 52 THR N 0.000 . 3.300 2.937 2.648 3.219 . 0 0 "[ . 1 .]" 2
34 1 48 GLU O 1 52 THR H 0.000 . 2.300 1.981 1.704 2.278 . 0 0 "[ . 1 .]" 2
35 1 49 ARG O 1 53 ILE N 0.000 . 3.300 2.872 2.473 3.145 . 0 0 "[ . 1 .]" 2
36 1 49 ARG O 1 53 ILE H 0.000 . 2.300 2.020 1.614 2.358 0.058 14 0 "[ . 1 .]" 2
37 1 50 GLN O 1 54 TRP N 0.000 . 3.300 2.501 2.357 3.061 . 0 0 "[ . 1 .]" 2
38 1 50 GLN O 1 54 TRP H 0.000 . 2.300 1.801 1.581 2.369 0.069 14 0 "[ . 1 .]" 2
39 1 51 VAL O 1 55 PHE N 0.000 . 3.300 2.649 2.536 2.895 . 0 0 "[ . 1 .]" 2
40 1 51 VAL O 1 55 PHE H 0.000 . 2.300 1.698 1.582 1.953 . 0 0 "[ . 1 .]" 2
41 1 52 THR O 1 56 GLN N 0.000 . 3.300 3.235 3.173 3.333 0.033 4 0 "[ . 1 .]" 2
42 1 52 THR O 1 56 GLN H 0.000 . 2.300 2.322 2.255 2.389 0.089 4 0 "[ . 1 .]" 2
43 1 53 ILE O 1 57 ASN N 0.000 . 3.300 2.838 2.428 3.136 . 0 0 "[ . 1 .]" 2
44 1 53 ILE O 1 57 ASN H 0.000 . 2.300 2.034 1.634 2.330 0.030 3 0 "[ . 1 .]" 2
45 1 54 TRP O 1 58 ARG N 0.000 . 3.300 2.807 2.639 2.999 . 0 0 "[ . 1 .]" 2
46 1 54 TRP O 1 58 ARG H 0.000 . 2.300 1.983 1.710 2.320 0.020 5 0 "[ . 1 .]" 2
47 1 55 PHE O 1 59 ARG N 0.000 . 3.300 2.927 2.811 2.997 . 0 0 "[ . 1 .]" 2
48 1 55 PHE O 1 59 ARG H 0.000 . 2.300 2.328 2.263 2.403 0.103 8 0 "[ . 1 .]" 2
49 1 56 GLN O 1 60 VAL N 0.000 . 3.300 2.943 2.703 3.063 . 0 0 "[ . 1 .]" 2
50 1 56 GLN O 1 60 VAL H 0.000 . 2.300 2.274 2.049 2.385 0.085 12 0 "[ . 1 .]" 2
51 1 57 ASN O 1 61 LYS N 0.000 . 3.300 2.820 2.526 3.076 . 0 0 "[ . 1 .]" 2
52 1 57 ASN O 1 61 LYS H 0.000 . 2.300 2.137 1.799 2.330 0.030 5 0 "[ . 1 .]" 2
53 1 58 ARG O 1 62 GLU N 0.000 . 3.300 3.237 3.108 3.324 0.024 15 0 "[ . 1 .]" 2
54 1 58 ARG O 1 62 GLU H 0.000 . 2.300 2.439 2.365 2.494 0.194 6 0 "[ . 1 .]" 2
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