NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445000 |
2kit   |
16295 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kit
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 634
_Distance_constraint_stats_list.Viol_count 2697
_Distance_constraint_stats_list.Viol_total 4436.666
_Distance_constraint_stats_list.Viol_max 0.355
_Distance_constraint_stats_list.Viol_rms 0.0466
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.0823
_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 1 ASN 0.163 0.096 2 0 "[ . 1 . 2]"
1 2 GLU 1.300 0.259 20 0 "[ . 1 . 2]"
1 3 LEU 12.320 0.270 7 0 "[ . 1 . 2]"
1 4 ASP 12.806 0.242 7 0 "[ . 1 . 2]"
1 5 VAL 21.071 0.270 7 0 "[ . 1 . 2]"
1 6 PRO 21.335 0.258 17 0 "[ . 1 . 2]"
1 7 GLU 16.484 0.273 18 0 "[ . 1 . 2]"
1 8 GLN 4.851 0.344 18 0 "[ . 1 . 2]"
1 9 VAL 27.658 0.263 6 0 "[ . 1 . 2]"
1 10 ASP 25.377 0.263 6 0 "[ . 1 . 2]"
1 11 LYS 18.328 0.263 5 0 "[ . 1 . 2]"
1 12 LEU 39.532 0.347 19 0 "[ . 1 . 2]"
1 13 ILE 28.079 0.319 7 0 "[ . 1 . 2]"
1 14 GLN 16.447 0.332 14 0 "[ . 1 . 2]"
1 15 GLN 16.506 0.332 14 0 "[ . 1 . 2]"
1 16 ALA 11.284 0.319 7 0 "[ . 1 . 2]"
1 17 THR 7.045 0.319 7 0 "[ . 1 . 2]"
1 18 SER 1.464 0.073 16 0 "[ . 1 . 2]"
1 19 ILE 12.939 0.198 13 0 "[ . 1 . 2]"
1 20 GLU 2.935 0.105 8 0 "[ . 1 . 2]"
1 21 ARG 4.495 0.134 14 0 "[ . 1 . 2]"
1 22 LEU 9.113 0.256 11 0 "[ . 1 . 2]"
1 23 CYS 3.207 0.147 14 0 "[ . 1 . 2]"
1 24 GLN 1.909 0.092 10 0 "[ . 1 . 2]"
1 25 HIS 5.251 0.244 12 0 "[ . 1 . 2]"
1 26 TYR 5.481 0.244 12 0 "[ . 1 . 2]"
1 27 ILE 16.201 0.242 15 0 "[ . 1 . 2]"
1 28 GLY 4.429 0.242 15 0 "[ . 1 . 2]"
1 29 TRP 13.194 0.355 17 0 "[ . 1 . 2]"
1 30 CYS 1.575 0.079 6 0 "[ . 1 . 2]"
1 31 PRO 8.895 0.203 15 0 "[ . 1 . 2]"
1 32 PHE 6.451 0.142 10 0 "[ . 1 . 2]"
1 33 TRP 4.599 0.131 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN QB 1 1 ASN QD . . 2.800 2.380 2.183 2.821 0.021 15 0 "[ . 1 . 2]" 1
2 1 1 ASN QB 1 3 LEU H 5.500 . 5.500 4.596 2.808 5.596 0.096 2 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 2 GLU QB . . 2.800 2.333 2.191 2.567 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 2 GLU QG . . 3.500 2.768 2.260 3.511 0.011 16 0 "[ . 1 . 2]" 1
5 1 2 GLU HA 1 3 LEU H 3.500 . 3.500 3.332 2.363 3.571 0.071 15 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 3 LEU H 2.800 . 2.800 2.649 2.244 2.754 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU QB 1 3 LEU H . . 2.800 2.121 1.761 2.844 0.044 2 0 "[ . 1 . 2]" 1
8 1 2 GLU HB3 1 3 LEU QB 5.500 . 5.500 3.770 3.437 4.025 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HB3 1 3 LEU HB3 5.500 . 5.500 4.063 3.867 4.287 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU HB3 1 3 LEU HG 5.500 . 5.500 4.040 2.977 5.453 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU QG 1 3 LEU H 3.500 . 3.500 3.040 1.783 3.759 0.259 20 0 "[ . 1 . 2]" 1
12 1 2 GLU HG2 1 3 LEU H 5.500 . 5.500 3.575 1.825 4.609 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU HA 2.800 . 2.800 2.821 2.770 2.867 0.067 9 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 3 LEU QB 2.800 . 2.800 2.643 2.586 2.710 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU H 1 3 LEU QB 2.800 . 2.800 2.290 2.163 2.430 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU H 1 3 LEU QD 3.500 . 3.500 2.404 2.231 2.657 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU H 1 3 LEU MD1 3.500 . 3.500 3.510 3.447 3.550 0.050 20 0 "[ . 1 . 2]" 1
18 1 3 LEU H 1 3 LEU MD2 3.500 . 3.500 2.401 2.230 2.645 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU H 1 3 LEU HG 2.800 . 2.800 2.074 2.000 2.179 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 3 LEU QB 2.800 . 2.800 2.316 2.308 2.332 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 3 LEU MD1 3.500 . 3.500 3.665 3.636 3.723 0.223 6 0 "[ . 1 . 2]" 1
22 1 3 LEU HA 1 3 LEU QD 3.500 . 3.500 2.055 2.048 2.063 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HA 1 3 LEU MD2 2.800 . 2.800 2.066 2.058 2.074 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU HA 1 3 LEU HG 3.500 . 3.500 3.411 3.267 3.458 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HA 1 4 ASP H 2.800 . 2.800 2.368 2.274 2.501 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU HA 1 4 ASP HB2 5.500 . 5.500 4.596 4.450 4.770 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QB 1 3 LEU MD1 2.800 . 2.800 2.074 2.060 2.088 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QB 1 3 LEU QD 2.800 . 2.800 1.965 1.936 1.981 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QB 1 3 LEU MD2 2.800 . 2.800 2.437 2.353 2.478 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU QB 1 5 VAL MG2 4.500 . 4.500 4.732 4.695 4.770 0.270 7 0 "[ . 1 . 2]" 1
31 1 3 LEU QB 1 4 ASP H 2.800 . 2.800 2.527 2.300 2.802 0.002 6 0 "[ . 1 . 2]" 1
32 1 3 LEU QB 1 7 GLU QB 4.500 . 4.500 3.966 3.789 4.122 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU HB3 1 3 LEU QD 2.800 . 2.800 2.078 2.050 2.102 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU QD 1 4 ASP H 3.500 . 3.500 3.476 3.424 3.538 0.038 16 0 "[ . 1 . 2]" 1
35 1 3 LEU MD1 1 7 GLU QB 4.500 . 4.500 4.597 4.553 4.639 0.139 13 0 "[ . 1 . 2]" 1
36 1 4 ASP H 1 4 ASP HA 2.800 . 2.800 2.880 2.854 2.907 0.107 17 0 "[ . 1 . 2]" 1
37 1 4 ASP H 1 4 ASP HB2 2.800 . 2.800 2.248 2.176 2.302 . 0 0 "[ . 1 . 2]" 1
38 1 4 ASP H 1 4 ASP HB2 2.800 . 2.800 2.224 2.159 2.275 . 0 0 "[ . 1 . 2]" 1
39 1 4 ASP H 1 4 ASP HB3 3.500 . 3.500 3.547 3.507 3.573 0.073 17 0 "[ . 1 . 2]" 1
40 1 4 ASP H 1 4 ASP HB3 2.800 . 2.800 2.151 2.075 2.241 . 0 0 "[ . 1 . 2]" 1
41 1 4 ASP H 1 5 VAL QG 2.800 . 2.800 2.848 2.821 2.872 0.072 2 0 "[ . 1 . 2]" 1
42 1 4 ASP H 1 7 GLU QB 4.500 . 4.500 3.761 3.443 4.040 . 0 0 "[ . 1 . 2]" 1
43 1 4 ASP HA 1 4 ASP HB2 . . 2.800 2.992 2.979 2.999 0.199 13 0 "[ . 1 . 2]" 1
44 1 4 ASP HA 1 4 ASP HB3 . . 2.800 2.619 2.554 2.691 . 0 0 "[ . 1 . 2]" 1
45 1 4 ASP HA 1 5 VAL H 2.800 . 2.800 2.612 2.514 2.697 . 0 0 "[ . 1 . 2]" 1
46 1 4 ASP HA 1 5 VAL HB 5.500 . 5.500 4.410 4.338 4.483 . 0 0 "[ . 1 . 2]" 1
47 1 4 ASP HA 1 5 VAL QG 3.500 . 3.500 3.676 3.627 3.742 0.242 7 0 "[ . 1 . 2]" 1
48 1 4 ASP QB 1 5 VAL QG 4.500 . 4.500 4.144 4.108 4.175 . 0 0 "[ . 1 . 2]" 1
49 1 4 ASP QB 1 7 GLU QB 4.500 . 4.500 2.653 2.351 2.823 . 0 0 "[ . 1 . 2]" 1
50 1 4 ASP HB2 1 5 VAL H 3.500 . 3.500 3.539 3.462 3.601 0.101 18 0 "[ . 1 . 2]" 1
51 1 4 ASP HB2 1 7 GLU QB 4.500 . 4.500 2.749 2.410 2.967 . 0 0 "[ . 1 . 2]" 1
52 1 4 ASP HB3 1 5 VAL H 4.500 . 4.500 2.169 2.088 2.265 . 0 0 "[ . 1 . 2]" 1
53 1 4 ASP HB3 1 7 GLU QB 3.500 . 3.500 3.515 3.270 3.617 0.117 20 0 "[ . 1 . 2]" 1
54 1 5 VAL H 1 5 VAL HB 2.800 . 2.800 2.272 2.220 2.312 . 0 0 "[ . 1 . 2]" 1
55 1 5 VAL H 1 5 VAL QG 2.800 . 2.800 2.861 2.832 2.886 0.086 2 0 "[ . 1 . 2]" 1
56 1 5 VAL H 1 6 PRO QD . . 3.500 1.792 1.777 1.846 0.023 19 0 "[ . 1 . 2]" 1
57 1 5 VAL HA 1 5 VAL QG 2.800 . 2.800 2.087 2.082 2.092 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL HA 1 6 PRO QD . . 3.500 3.588 3.577 3.599 0.099 11 0 "[ . 1 . 2]" 1
59 1 5 VAL HB 1 6 PRO HD2 2.800 . 2.800 2.866 2.844 2.881 0.081 15 0 "[ . 1 . 2]" 1
60 1 5 VAL HB 1 6 PRO QD 2.800 . 2.800 2.042 2.006 2.085 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL HB 1 6 PRO HD3 2.800 . 2.800 2.090 2.050 2.144 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL QG 1 6 PRO QD 2.800 . 2.800 2.184 2.175 2.191 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL QG 1 6 PRO QD 2.800 . 2.800 2.180 2.171 2.187 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL QG 1 6 PRO QG 4.500 . 4.500 3.424 3.332 3.461 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL MG1 1 6 PRO HA 3.500 . 3.500 3.251 3.209 3.321 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL MG1 1 6 PRO HA 5.500 . 5.500 2.580 2.254 2.863 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL MG1 1 6 PRO QB 2.800 . 2.800 2.974 2.946 3.036 0.236 7 0 "[ . 1 . 2]" 1
68 1 5 VAL MG1 1 6 PRO HB2 4.500 . 4.500 2.030 2.008 2.070 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL MG1 1 6 PRO HB3 4.500 . 4.500 2.673 2.529 2.788 . 0 0 "[ . 1 . 2]" 1
70 1 5 VAL MG1 1 6 PRO QG 3.500 . 3.500 3.651 3.615 3.682 0.182 7 0 "[ . 1 . 2]" 1
71 1 5 VAL MG1 1 7 GLU H 4.500 . 4.500 4.282 4.124 4.479 . 0 0 "[ . 1 . 2]" 1
72 1 5 VAL MG2 1 7 GLU H 5.500 . 5.500 5.142 4.911 5.552 0.052 20 0 "[ . 1 . 2]" 1
73 1 6 PRO HA 1 6 PRO HB3 . . 2.800 2.364 2.348 2.380 . 0 0 "[ . 1 . 2]" 1
74 1 6 PRO HA 1 7 GLU H . . 2.800 2.931 2.554 3.058 0.258 17 0 "[ . 1 . 2]" 1
75 1 6 PRO HA 1 9 VAL H 5.500 . 5.500 3.543 3.354 3.719 . 0 0 "[ . 1 . 2]" 1
76 1 6 PRO HA 1 9 VAL HB 4.500 . 4.500 4.409 3.853 4.682 0.182 19 0 "[ . 1 . 2]" 1
77 1 6 PRO HA 1 9 VAL MG2 3.500 . 3.500 2.743 2.298 3.217 . 0 0 "[ . 1 . 2]" 1
78 1 6 PRO QB 1 9 VAL MG2 4.500 . 4.500 2.013 1.999 2.047 . 0 0 "[ . 1 . 2]" 1
79 1 6 PRO QB 1 9 VAL MG2 3.500 . 3.500 2.010 1.995 2.043 . 0 0 "[ . 1 . 2]" 1
80 1 6 PRO HB2 1 7 GLU H 4.500 . 4.500 4.305 4.260 4.379 . 0 0 "[ . 1 . 2]" 1
81 1 6 PRO HB2 1 9 VAL H 5.500 . 5.500 3.546 3.465 3.641 . 0 0 "[ . 1 . 2]" 1
82 1 6 PRO HB3 1 7 GLU H 4.500 . 4.500 4.549 4.512 4.607 0.107 18 0 "[ . 1 . 2]" 1
83 1 6 PRO QD 1 9 VAL MG2 2.800 . 2.800 2.326 2.276 2.356 . 0 0 "[ . 1 . 2]" 1
84 1 6 PRO QD 1 9 VAL MG2 4.500 . 4.500 4.654 4.543 4.727 0.227 7 0 "[ . 1 . 2]" 1
85 1 6 PRO QG 1 7 GLU H 5.500 . 5.500 3.718 3.493 4.298 . 0 0 "[ . 1 . 2]" 1
86 1 6 PRO QG 1 7 GLU HA 5.500 . 5.500 3.931 3.769 4.237 . 0 0 "[ . 1 . 2]" 1
87 1 6 PRO QG 1 9 VAL MG2 3.500 . 3.500 3.546 3.397 3.639 0.139 4 0 "[ . 1 . 2]" 1
88 1 6 PRO QG 1 10 ASP H 4.500 . 4.500 4.594 4.535 4.636 0.136 2 0 "[ . 1 . 2]" 1
89 1 6 PRO HG3 1 7 GLU H 2.800 . 2.800 2.098 2.072 2.158 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU H 1 7 GLU HA . . 2.800 2.822 2.751 2.928 0.128 20 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 7 GLU QB 2.800 . 2.800 2.100 2.074 2.159 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU H 1 7 GLU QG . . 3.500 3.640 3.559 3.773 0.273 18 0 "[ . 1 . 2]" 1
93 1 7 GLU H 1 9 VAL H 5.500 . 5.500 4.237 3.651 4.440 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU HA 1 7 GLU QB 2.800 . 2.800 2.491 2.245 2.568 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLU HA 1 7 GLU QB 2.800 . 2.800 2.464 2.240 2.534 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLU HA 1 7 GLU QG . . 2.800 2.340 2.193 2.778 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLU HA 1 8 GLN H 2.800 . 2.800 2.716 2.692 2.731 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLU HA 1 9 VAL H 3.500 . 3.500 3.330 3.288 3.362 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLU HA 1 11 LYS H 3.500 . 3.500 3.264 3.229 3.293 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLU HA 1 11 LYS QD 3.500 . 3.500 2.482 2.308 3.015 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU HA 1 9 VAL H 3.500 . 3.500 3.250 3.096 3.343 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU HA 1 9 VAL MG2 . . 4.500 4.697 4.631 4.762 0.262 8 0 "[ . 1 . 2]" 1
103 1 7 GLU HA 1 10 ASP H 3.500 . 3.500 3.410 3.233 3.513 0.013 6 0 "[ . 1 . 2]" 1
104 1 7 GLU HA 1 10 ASP QB 2.800 . 2.800 2.879 2.830 2.904 0.104 6 0 "[ . 1 . 2]" 1
105 1 7 GLU HA 1 11 LYS H 5.500 . 5.500 4.295 4.092 4.463 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU QB 1 8 GLN QE 5.500 . 5.500 5.155 2.221 5.545 0.045 4 0 "[ . 1 . 2]" 1
107 1 7 GLU QB 1 10 ASP QB 4.500 . 4.500 4.463 4.319 4.572 0.072 6 0 "[ . 1 . 2]" 1
108 1 7 GLU QB 1 10 ASP QB 4.500 . 4.500 4.028 3.933 4.098 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLU HB3 1 8 GLN H 2.800 . 2.800 2.512 2.438 2.559 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLU QG 1 11 LYS QE . . 3.500 2.587 2.018 3.377 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLU QG 1 11 LYS QG 4.500 . 4.500 3.305 2.593 4.389 . 0 0 "[ . 1 . 2]" 1
112 1 8 GLN H 1 8 GLN QB 3.500 . 3.500 2.763 2.707 2.792 . 0 0 "[ . 1 . 2]" 1
113 1 8 GLN H 1 8 GLN QG 3.500 . 3.500 1.817 1.791 1.858 0.009 10 0 "[ . 1 . 2]" 1
114 1 8 GLN H 1 9 VAL H 2.800 . 2.800 2.753 2.661 2.818 0.018 9 0 "[ . 1 . 2]" 1
115 1 8 GLN H 1 9 VAL MG2 . . 4.500 3.968 3.885 4.093 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLN HA 1 8 GLN QB 2.800 . 2.800 2.283 2.271 2.300 . 0 0 "[ . 1 . 2]" 1
117 1 8 GLN HA 1 8 GLN QE 4.500 . 4.500 3.692 2.189 3.975 . 0 0 "[ . 1 . 2]" 1
118 1 8 GLN HA 1 8 GLN HG2 3.500 . 3.500 2.732 2.618 3.362 . 0 0 "[ . 1 . 2]" 1
119 1 8 GLN HA 1 8 GLN QG 3.500 . 3.500 2.640 2.545 3.129 . 0 0 "[ . 1 . 2]" 1
120 1 8 GLN HA 1 8 GLN HG3 3.500 . 3.500 3.545 3.457 3.732 0.232 10 0 "[ . 1 . 2]" 1
121 1 8 GLN HA 1 9 VAL H 3.500 . 3.500 3.525 3.495 3.544 0.044 11 0 "[ . 1 . 2]" 1
122 1 8 GLN HA 1 11 LYS H 4.500 . 4.500 3.385 3.327 3.457 . 0 0 "[ . 1 . 2]" 1
123 1 8 GLN HA 1 11 LYS QB 3.500 . 3.500 2.367 2.298 2.593 . 0 0 "[ . 1 . 2]" 1
124 1 8 GLN HA 1 11 LYS QE 3.500 . 3.500 3.545 3.516 3.656 0.156 6 0 "[ . 1 . 2]" 1
125 1 8 GLN HA 1 11 LYS HG2 4.500 . 4.500 4.545 4.471 4.581 0.081 8 0 "[ . 1 . 2]" 1
126 1 8 GLN HA 1 11 LYS QG 4.500 . 4.500 3.166 2.924 3.299 . 0 0 "[ . 1 . 2]" 1
127 1 8 GLN HA 1 12 LEU H 2.800 . 2.800 2.751 2.736 2.801 0.001 19 0 "[ . 1 . 2]" 1
128 1 8 GLN QB 1 9 VAL H . . 2.800 2.507 2.352 2.646 . 0 0 "[ . 1 . 2]" 1
129 1 8 GLN QB 1 9 VAL MG2 4.500 . 4.500 2.413 2.319 2.483 . 0 0 "[ . 1 . 2]" 1
130 1 8 GLN QB 1 11 LYS H 4.500 . 4.500 4.122 4.060 4.169 . 0 0 "[ . 1 . 2]" 1
131 1 8 GLN QB 1 11 LYS QB 5.500 . 5.500 3.769 3.685 3.941 . 0 0 "[ . 1 . 2]" 1
132 1 8 GLN QB 1 11 LYS QG 5.500 . 5.500 4.892 4.717 5.003 . 0 0 "[ . 1 . 2]" 1
133 1 8 GLN QB 1 12 LEU H 5.500 . 5.500 3.783 3.745 3.829 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLN QB 1 12 LEU MD1 4.500 . 4.500 3.672 3.556 3.847 . 0 0 "[ . 1 . 2]" 1
135 1 8 GLN QB 1 12 LEU MD2 3.500 . 3.500 2.512 2.403 2.597 . 0 0 "[ . 1 . 2]" 1
136 1 8 GLN QE 1 8 GLN HG2 2.800 . 2.800 2.375 2.251 3.144 0.344 18 0 "[ . 1 . 2]" 1
137 1 8 GLN QE 1 8 GLN QG . . 2.800 2.282 2.114 2.401 . 0 0 "[ . 1 . 2]" 1
138 1 8 GLN QE 1 11 LYS QD 4.500 . 4.500 4.256 2.333 4.546 0.046 7 0 "[ . 1 . 2]" 1
139 1 8 GLN QE 1 12 LEU QD 4.500 . 4.500 4.166 3.899 4.533 0.033 18 0 "[ . 1 . 2]" 1
140 1 8 GLN QG 1 9 VAL H 3.500 . 3.500 3.517 3.483 3.573 0.073 10 0 "[ . 1 . 2]" 1
141 1 8 GLN QG 1 11 LYS QD 4.500 . 4.500 3.949 3.671 4.533 0.033 10 0 "[ . 1 . 2]" 1
142 1 9 VAL H 1 9 VAL HB 2.800 . 2.800 2.590 2.477 2.663 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL H 1 9 VAL HB 2.800 . 2.800 1.779 1.749 1.858 0.051 6 0 "[ . 1 . 2]" 1
144 1 9 VAL H 1 9 VAL QG 2.800 . 2.800 1.969 1.895 2.115 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL H 1 9 VAL MG1 2.800 . 2.800 2.616 2.540 2.676 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL H 1 9 VAL MG2 2.800 . 2.800 1.965 1.892 2.110 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL H 1 10 ASP H . . 2.800 3.019 2.967 3.063 0.263 5 0 "[ . 1 . 2]" 1
148 1 9 VAL H 1 12 LEU MD1 4.500 . 4.500 4.627 4.593 4.672 0.172 7 0 "[ . 1 . 2]" 1
149 1 9 VAL H 1 13 ILE MD 4.500 . 4.500 3.575 3.547 3.638 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL H 1 13 ILE MG 4.500 . 4.500 4.471 4.371 4.571 0.071 9 0 "[ . 1 . 2]" 1
151 1 9 VAL H 1 11 LYS QB 5.500 . 5.500 4.784 4.657 5.035 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL H 1 12 LEU HB2 . . 4.500 4.685 4.649 4.714 0.214 19 0 "[ . 1 . 2]" 1
153 1 9 VAL H 1 12 LEU MD2 4.500 . 4.500 4.481 4.414 4.533 0.033 7 0 "[ . 1 . 2]" 1
154 1 9 VAL HA 1 9 VAL MG1 2.800 . 2.800 2.324 2.296 2.385 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL HA 1 10 ASP H 3.500 . 3.500 3.531 3.522 3.540 0.040 10 0 "[ . 1 . 2]" 1
156 1 9 VAL HA 1 12 LEU H 4.500 . 4.500 3.231 3.151 3.272 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL HA 1 12 LEU HA 5.500 . 5.500 5.018 4.949 5.054 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL HA 1 12 LEU HB2 4.500 . 4.500 2.308 2.278 2.336 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL HA 1 12 LEU HB3 4.500 . 4.500 3.813 3.777 3.856 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL HA 1 12 LEU MD1 4.500 . 4.500 3.631 3.483 3.868 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL HA 1 12 LEU HG 4.500 . 4.500 2.490 2.350 2.631 . 0 0 "[ . 1 . 2]" 1
162 1 9 VAL HA 1 13 ILE H 2.800 . 2.800 2.663 2.645 2.689 . 0 0 "[ . 1 . 2]" 1
163 1 9 VAL HB 1 10 ASP H 2.800 . 2.800 1.813 1.774 1.920 0.026 6 0 "[ . 1 . 2]" 1
164 1 9 VAL HB 1 10 ASP QB . . 4.500 3.615 3.543 3.739 . 0 0 "[ . 1 . 2]" 1
165 1 9 VAL QG 1 10 ASP H 2.800 . 2.800 2.589 2.528 2.637 . 0 0 "[ . 1 . 2]" 1
166 1 9 VAL MG1 1 10 ASP QB 3.500 . 3.500 3.707 3.652 3.763 0.263 6 0 "[ . 1 . 2]" 1
167 1 9 VAL MG1 1 10 ASP QB 3.500 . 3.500 3.509 3.475 3.545 0.045 6 0 "[ . 1 . 2]" 1
168 1 9 VAL MG1 1 11 LYS H 4.500 . 4.500 4.548 4.520 4.572 0.072 5 0 "[ . 1 . 2]" 1
169 1 9 VAL MG1 1 12 LEU H 4.500 . 4.500 4.451 4.297 4.497 . 0 0 "[ . 1 . 2]" 1
170 1 9 VAL MG1 1 12 LEU HG 3.500 . 3.500 3.453 3.396 3.524 0.024 7 0 "[ . 1 . 2]" 1
171 1 9 VAL MG1 1 13 ILE H 4.500 . 4.500 3.701 3.624 3.776 . 0 0 "[ . 1 . 2]" 1
172 1 9 VAL MG2 1 12 LEU HB3 5.500 . 5.500 5.336 5.184 5.401 . 0 0 "[ . 1 . 2]" 1
173 1 9 VAL MG2 1 12 LEU HG 4.500 . 4.500 3.831 3.716 3.950 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASP H 1 10 ASP HA . . 2.800 2.768 2.754 2.782 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASP H 1 10 ASP QB 2.800 . 2.800 2.228 2.199 2.254 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASP H 1 11 LYS H 2.800 . 2.800 2.874 2.860 2.901 0.101 19 0 "[ . 1 . 2]" 1
177 1 10 ASP H 1 11 LYS QG 4.500 . 4.500 4.489 4.285 4.543 0.043 4 0 "[ . 1 . 2]" 1
178 1 10 ASP H 1 12 LEU H 5.500 . 5.500 4.188 4.039 4.219 . 0 0 "[ . 1 . 2]" 1
179 1 10 ASP HA 1 10 ASP QB . . 2.800 2.320 2.308 2.336 . 0 0 "[ . 1 . 2]" 1
180 1 10 ASP HA 1 11 LYS H . . 3.500 3.527 3.515 3.543 0.043 19 0 "[ . 1 . 2]" 1
181 1 10 ASP HA 1 12 LEU H 4.500 . 4.500 4.513 4.327 4.552 0.052 6 0 "[ . 1 . 2]" 1
182 1 10 ASP HA 1 13 ILE H 4.500 . 4.500 3.714 3.633 3.794 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASP HA 1 13 ILE HB . . 3.500 2.618 2.550 2.706 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP HA 1 13 ILE MD 2.800 . 2.800 2.849 2.833 2.868 0.068 11 0 "[ . 1 . 2]" 1
185 1 10 ASP HA 1 13 ILE MD 4.500 . 4.500 2.757 2.741 2.780 . 0 0 "[ . 1 . 2]" 1
186 1 10 ASP HA 1 13 ILE HG12 5.500 . 5.500 3.495 3.432 3.611 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP HA 1 13 ILE MG 3.500 . 3.500 3.674 3.626 3.731 0.231 11 0 "[ . 1 . 2]" 1
188 1 10 ASP HA 1 14 GLN H 5.500 . 5.500 4.508 4.317 4.636 . 0 0 "[ . 1 . 2]" 1
189 1 10 ASP HA 1 14 GLN QE 5.500 . 5.500 4.822 3.566 5.062 . 0 0 "[ . 1 . 2]" 1
190 1 10 ASP QB 1 11 LYS H 2.800 . 2.800 2.699 2.570 2.802 0.002 11 0 "[ . 1 . 2]" 1
191 1 10 ASP QB 1 11 LYS HA 4.500 . 4.500 4.378 4.310 4.434 . 0 0 "[ . 1 . 2]" 1
192 1 10 ASP QB 1 11 LYS QB . . 4.500 4.581 4.556 4.617 0.117 6 0 "[ . 1 . 2]" 1
193 1 10 ASP QB 1 11 LYS QD 5.500 . 5.500 5.209 4.952 5.434 . 0 0 "[ . 1 . 2]" 1
194 1 10 ASP QB 1 11 LYS QG 5.500 . 5.500 3.258 3.009 3.388 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASP QB 1 13 ILE HB 5.500 . 5.500 4.587 4.526 4.669 . 0 0 "[ . 1 . 2]" 1
196 1 10 ASP QB 1 13 ILE MD 4.500 . 4.500 4.338 4.316 4.359 . 0 0 "[ . 1 . 2]" 1
197 1 10 ASP QB 1 14 GLN QE 4.500 . 4.500 4.366 3.289 4.521 0.021 12 0 "[ . 1 . 2]" 1
198 1 11 LYS H 1 11 LYS HA . . 2.800 2.922 2.905 2.940 0.140 9 0 "[ . 1 . 2]" 1
199 1 11 LYS H 1 11 LYS QB 2.800 . 2.800 2.466 2.434 2.624 . 0 0 "[ . 1 . 2]" 1
200 1 11 LYS H 1 11 LYS QD 4.500 . 4.500 3.926 3.727 4.189 . 0 0 "[ . 1 . 2]" 1
201 1 11 LYS H 1 11 LYS QG 3.500 . 3.500 2.286 1.992 2.395 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS H 1 12 LEU H 2.800 . 2.800 2.409 2.305 2.479 . 0 0 "[ . 1 . 2]" 1
203 1 11 LYS H 1 12 LEU QD 4.500 . 4.500 3.911 3.796 4.002 . 0 0 "[ . 1 . 2]" 1
204 1 11 LYS H 1 12 LEU MD2 4.500 . 4.500 3.972 3.845 4.071 . 0 0 "[ . 1 . 2]" 1
205 1 11 LYS H 1 13 ILE MD 5.500 . 5.500 4.480 4.374 4.580 . 0 0 "[ . 1 . 2]" 1
206 1 11 LYS HA 1 11 LYS QB 2.800 . 2.800 2.366 2.295 2.377 . 0 0 "[ . 1 . 2]" 1
207 1 11 LYS HA 1 11 LYS QD 4.500 . 4.500 3.953 3.787 4.039 . 0 0 "[ . 1 . 2]" 1
208 1 11 LYS HA 1 11 LYS QG 3.500 . 3.500 2.403 2.333 2.525 . 0 0 "[ . 1 . 2]" 1
209 1 11 LYS HA 1 12 LEU H 4.500 . 4.500 3.537 3.521 3.551 . 0 0 "[ . 1 . 2]" 1
210 1 11 LYS HA 1 12 LEU QD 5.500 . 5.500 4.464 4.413 4.502 . 0 0 "[ . 1 . 2]" 1
211 1 11 LYS HA 1 14 GLN H 4.500 . 4.500 3.364 3.171 3.467 . 0 0 "[ . 1 . 2]" 1
212 1 11 LYS HA 1 14 GLN HB2 4.500 . 4.500 3.089 2.339 3.248 . 0 0 "[ . 1 . 2]" 1
213 1 11 LYS HA 1 14 GLN QB 3.500 . 3.500 3.038 2.322 3.183 . 0 0 "[ . 1 . 2]" 1
214 1 11 LYS HA 1 14 GLN HB3 4.500 . 4.500 4.510 3.906 4.598 0.098 3 0 "[ . 1 . 2]" 1
215 1 11 LYS HA 1 14 GLN QE . . 4.500 2.685 2.090 3.033 . 0 0 "[ . 1 . 2]" 1
216 1 11 LYS HA 1 14 GLN HG2 5.500 . 5.500 4.288 3.580 4.457 . 0 0 "[ . 1 . 2]" 1
217 1 11 LYS HA 1 14 GLN QG 4.500 . 4.500 2.774 2.669 3.458 . 0 0 "[ . 1 . 2]" 1
218 1 11 LYS HA 1 14 GLN HG3 5.500 . 5.500 2.860 2.694 4.573 . 0 0 "[ . 1 . 2]" 1
219 1 11 LYS HA 1 15 GLN H 4.500 . 4.500 4.575 4.444 4.645 0.145 15 0 "[ . 1 . 2]" 1
220 1 11 LYS QB 1 11 LYS QD . . 2.800 2.118 2.091 2.141 . 0 0 "[ . 1 . 2]" 1
221 1 11 LYS QB 1 11 LYS QE . . 3.500 3.512 3.481 3.673 0.173 6 0 "[ . 1 . 2]" 1
222 1 11 LYS QB 1 12 LEU H 3.500 . 3.500 2.547 2.467 2.811 . 0 0 "[ . 1 . 2]" 1
223 1 11 LYS QB 1 12 LEU H 2.800 . 2.800 2.175 2.139 2.245 . 0 0 "[ . 1 . 2]" 1
224 1 11 LYS QB 1 12 LEU MD2 2.800 . 2.800 2.457 2.369 2.519 . 0 0 "[ . 1 . 2]" 1
225 1 11 LYS QB 1 12 LEU QD 4.500 . 4.500 2.579 2.473 2.661 . 0 0 "[ . 1 . 2]" 1
226 1 11 LYS QB 1 14 GLN HB2 5.500 . 5.500 4.151 3.710 4.231 . 0 0 "[ . 1 . 2]" 1
227 1 11 LYS QB 1 14 GLN QG 4.500 . 4.500 4.571 4.521 4.717 0.217 19 0 "[ . 1 . 2]" 1
228 1 11 LYS QD 1 12 LEU H 3.500 . 3.500 3.446 3.421 3.468 . 0 0 "[ . 1 . 2]" 1
229 1 11 LYS QD 1 14 GLN QE 5.500 . 5.500 4.812 4.385 5.274 . 0 0 "[ . 1 . 2]" 1
230 1 11 LYS QE 1 11 LYS HG2 2.800 . 2.800 2.564 2.464 2.887 0.087 9 0 "[ . 1 . 2]" 1
231 1 11 LYS QE 1 11 LYS HG3 2.800 . 2.800 2.347 2.269 2.836 0.036 6 0 "[ . 1 . 2]" 1
232 1 11 LYS QG 1 12 LEU H 5.500 . 5.500 3.958 3.880 4.005 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU H 1 12 LEU HB2 2.800 . 2.800 2.363 2.313 2.393 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 3.550 3.533 3.559 0.059 19 0 "[ . 1 . 2]" 1
235 1 12 LEU H 1 12 LEU MD1 4.500 . 4.500 4.048 4.032 4.085 . 0 0 "[ . 1 . 2]" 1
236 1 12 LEU H 1 12 LEU QD 3.500 . 3.500 2.237 2.143 2.381 . 0 0 "[ . 1 . 2]" 1
237 1 12 LEU H 1 12 LEU MD2 3.500 . 3.500 2.248 2.151 2.397 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU H 1 12 LEU HG . . 2.800 2.893 2.843 3.012 0.212 6 0 "[ . 1 . 2]" 1
239 1 12 LEU H 1 13 ILE H . . 2.800 2.789 2.625 2.834 0.034 7 0 "[ . 1 . 2]" 1
240 1 12 LEU H 1 13 ILE MD 5.500 . 5.500 3.830 3.719 3.881 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU H 1 13 ILE MG 5.500 . 5.500 5.500 5.353 5.522 0.022 6 0 "[ . 1 . 2]" 1
242 1 12 LEU HA 1 12 LEU HB2 2.800 . 2.800 2.971 2.966 2.975 0.175 4 0 "[ . 1 . 2]" 1
243 1 12 LEU HA 1 12 LEU HB3 2.800 . 2.800 2.499 2.490 2.518 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU HA 1 12 LEU MD1 2.800 . 2.800 3.086 2.939 3.147 0.347 19 0 "[ . 1 . 2]" 1
245 1 12 LEU HA 1 12 LEU QD 2.800 . 2.800 2.010 2.004 2.014 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU HA 1 12 LEU MD2 2.800 . 2.800 2.037 2.030 2.045 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU HA 1 12 LEU HG . . 3.500 3.600 3.588 3.620 0.120 6 0 "[ . 1 . 2]" 1
248 1 12 LEU HA 1 13 ILE H 4.500 . 4.500 3.540 3.524 3.567 . 0 0 "[ . 1 . 2]" 1
249 1 12 LEU HA 1 15 GLN H 2.800 . 2.800 3.055 2.924 3.132 0.332 14 0 "[ . 1 . 2]" 1
250 1 12 LEU HA 1 16 ALA H 2.800 . 2.800 2.778 2.692 2.838 0.038 18 0 "[ . 1 . 2]" 1
251 1 12 LEU HA 1 15 GLN QB 4.500 . 4.500 3.824 2.817 4.315 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU HB2 1 12 LEU MD1 2.800 . 2.800 2.858 2.823 2.915 0.115 6 0 "[ . 1 . 2]" 1
253 1 12 LEU HB2 1 12 LEU QD 2.800 . 2.800 2.626 2.615 2.635 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU HB2 1 12 LEU HG 2.800 . 2.800 2.247 2.241 2.250 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU HB2 1 13 ILE H . . 3.500 2.246 2.192 2.293 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU HB2 1 15 GLN QE 4.500 . 4.500 4.409 3.450 4.630 0.130 12 0 "[ . 1 . 2]" 1
257 1 12 LEU HB3 1 12 LEU MD1 2.800 . 2.800 2.115 2.108 2.120 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU HB3 1 12 LEU QD 2.800 . 2.800 2.075 2.070 2.078 . 0 0 "[ . 1 . 2]" 1
259 1 12 LEU HB3 1 12 LEU MD2 2.800 . 2.800 3.006 2.972 3.070 0.270 6 0 "[ . 1 . 2]" 1
260 1 12 LEU HB3 1 12 LEU HG 2.800 . 2.800 2.872 2.832 2.889 0.089 19 0 "[ . 1 . 2]" 1
261 1 12 LEU HB3 1 13 ILE H 2.800 . 2.800 2.946 2.917 2.992 0.192 19 0 "[ . 1 . 2]" 1
262 1 12 LEU HB3 1 13 ILE H 4.500 . 4.500 3.168 3.124 3.243 . 0 0 "[ . 1 . 2]" 1
263 1 12 LEU QD 1 15 GLN H 4.500 . 4.500 4.442 4.280 4.560 0.060 14 0 "[ . 1 . 2]" 1
264 1 12 LEU QD 1 15 GLN QE 4.500 . 4.500 2.282 1.787 3.452 0.013 4 0 "[ . 1 . 2]" 1
265 1 12 LEU MD1 1 13 ILE H 4.500 . 4.500 4.582 4.543 4.610 0.110 19 0 "[ . 1 . 2]" 1
266 1 12 LEU MD1 1 15 GLN HG2 5.500 . 5.500 4.598 3.247 5.580 0.080 6 0 "[ . 1 . 2]" 1
267 1 12 LEU MD1 1 15 GLN HG3 4.500 . 4.500 4.433 4.184 4.615 0.115 1 0 "[ . 1 . 2]" 1
268 1 12 LEU MD2 1 13 ILE H 4.500 . 4.500 4.226 4.207 4.266 . 0 0 "[ . 1 . 2]" 1
269 1 12 LEU MD2 1 15 GLN QG 4.500 . 4.500 3.227 3.008 3.544 . 0 0 "[ . 1 . 2]" 1
270 1 12 LEU HG 1 13 ILE H 5.500 . 5.500 4.358 4.307 4.449 . 0 0 "[ . 1 . 2]" 1
271 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.189 2.152 2.239 . 0 0 "[ . 1 . 2]" 1
272 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.084 2.037 2.130 . 0 0 "[ . 1 . 2]" 1
273 1 13 ILE H 1 13 ILE MD 2.800 . 2.800 1.902 1.867 1.938 . 0 0 "[ . 1 . 2]" 1
274 1 13 ILE H 1 13 ILE MD 2.800 . 2.800 1.906 1.869 1.941 . 0 0 "[ . 1 . 2]" 1
275 1 13 ILE H 1 13 ILE HG12 3.500 . 3.500 3.786 3.769 3.798 0.298 8 0 "[ . 1 . 2]" 1
276 1 13 ILE H 1 13 ILE HG12 4.500 . 4.500 3.672 3.660 3.691 . 0 0 "[ . 1 . 2]" 1
277 1 13 ILE H 1 13 ILE HG13 3.500 . 3.500 3.595 3.569 3.611 0.111 20 0 "[ . 1 . 2]" 1
278 1 13 ILE H 1 13 ILE MG 2.800 . 2.800 2.523 2.399 2.638 . 0 0 "[ . 1 . 2]" 1
279 1 13 ILE H 1 15 GLN H 2.800 . 2.800 2.831 2.733 2.928 0.128 19 0 "[ . 1 . 2]" 1
280 1 13 ILE H 1 15 GLN H 4.500 . 4.500 4.475 4.296 4.574 0.074 8 0 "[ . 1 . 2]" 1
281 1 13 ILE HA 1 13 ILE MD 2.800 . 2.800 2.383 2.335 2.439 . 0 0 "[ . 1 . 2]" 1
282 1 13 ILE HA 1 13 ILE HG12 3.500 . 3.500 3.562 3.558 3.567 0.067 7 0 "[ . 1 . 2]" 1
283 1 13 ILE HA 1 13 ILE HG13 4.500 . 4.500 2.329 2.314 2.343 . 0 0 "[ . 1 . 2]" 1
284 1 13 ILE HA 1 13 ILE MG 2.800 . 2.800 2.676 2.656 2.693 . 0 0 "[ . 1 . 2]" 1
285 1 13 ILE HA 1 14 GLN H 4.500 . 4.500 3.583 3.556 3.593 . 0 0 "[ . 1 . 2]" 1
286 1 13 ILE HA 1 16 ALA H 4.500 . 4.500 3.346 3.121 3.615 . 0 0 "[ . 1 . 2]" 1
287 1 13 ILE HA 1 16 ALA MB 3.500 . 3.500 2.200 2.037 3.074 . 0 0 "[ . 1 . 2]" 1
288 1 13 ILE HB 1 13 ILE MD 2.800 . 2.800 2.357 2.334 2.387 . 0 0 "[ . 1 . 2]" 1
289 1 13 ILE HB 1 14 GLN H 3.500 . 3.500 2.619 2.517 2.703 . 0 0 "[ . 1 . 2]" 1
290 1 13 ILE MD 1 14 GLN H 3.500 . 3.500 2.548 2.416 2.673 . 0 0 "[ . 1 . 2]" 1
291 1 13 ILE MD 1 14 GLN QE 4.500 . 4.500 4.398 3.795 4.528 0.028 10 0 "[ . 1 . 2]" 1
292 1 13 ILE MD 1 16 ALA MB 3.500 . 3.500 2.976 2.882 3.157 . 0 0 "[ . 1 . 2]" 1
293 1 13 ILE MD 1 16 ALA H 4.500 . 4.500 3.758 3.279 4.047 . 0 0 "[ . 1 . 2]" 1
294 1 13 ILE MD 1 16 ALA MB 4.500 . 4.500 3.508 3.185 4.510 0.010 12 0 "[ . 1 . 2]" 1
295 1 13 ILE HG12 1 13 ILE MG 2.800 . 2.800 2.244 2.221 2.266 . 0 0 "[ . 1 . 2]" 1
296 1 13 ILE HG13 1 13 ILE MG 2.800 . 2.800 2.471 2.454 2.488 . 0 0 "[ . 1 . 2]" 1
297 1 13 ILE HG13 1 14 GLN H 5.500 . 5.500 4.928 4.859 4.979 . 0 0 "[ . 1 . 2]" 1
298 1 13 ILE HG13 1 16 ALA MB 4.500 . 4.500 3.686 3.542 4.278 . 0 0 "[ . 1 . 2]" 1
299 1 13 ILE MG 1 14 GLN HA 3.500 . 3.500 2.936 2.827 3.012 . 0 0 "[ . 1 . 2]" 1
300 1 13 ILE MG 1 14 GLN QB 4.500 . 4.500 4.035 3.870 4.089 . 0 0 "[ . 1 . 2]" 1
301 1 13 ILE MG 1 14 GLN HB3 4.500 . 4.500 4.652 4.623 4.763 0.263 19 0 "[ . 1 . 2]" 1
302 1 13 ILE MG 1 14 GLN QG 3.500 . 3.500 2.822 2.703 3.633 0.133 19 0 "[ . 1 . 2]" 1
303 1 13 ILE MG 1 16 ALA H 3.500 . 3.500 3.644 3.563 3.819 0.319 7 0 "[ . 1 . 2]" 1
304 1 13 ILE MG 1 16 ALA HA 4.500 . 4.500 2.279 2.237 2.326 . 0 0 "[ . 1 . 2]" 1
305 1 13 ILE MG 1 16 ALA MB 3.500 . 3.500 3.594 3.502 3.680 0.180 16 0 "[ . 1 . 2]" 1
306 1 14 GLN H 1 14 GLN HA . . 2.800 2.805 2.774 2.835 0.035 4 0 "[ . 1 . 2]" 1
307 1 14 GLN H 1 14 GLN HB2 3.500 . 3.500 2.547 2.223 2.651 . 0 0 "[ . 1 . 2]" 1
308 1 14 GLN H 1 14 GLN QB 2.800 . 2.800 2.496 2.200 2.586 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLN H 1 14 GLN HB3 3.500 . 3.500 3.592 3.519 3.606 0.106 14 0 "[ . 1 . 2]" 1
310 1 14 GLN H 1 14 GLN QE 5.500 . 5.500 4.107 3.483 4.310 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLN H 1 14 GLN QG 3.500 . 3.500 2.119 1.848 3.489 . 0 0 "[ . 1 . 2]" 1
312 1 14 GLN H 1 15 GLN H 3.500 . 3.500 2.863 2.760 2.967 . 0 0 "[ . 1 . 2]" 1
313 1 14 GLN HA 1 14 GLN QB 2.800 . 2.800 2.364 2.328 2.513 . 0 0 "[ . 1 . 2]" 1
314 1 14 GLN HA 1 14 GLN HB3 2.800 . 2.800 2.470 2.419 2.708 . 0 0 "[ . 1 . 2]" 1
315 1 14 GLN HA 1 14 GLN QG 2.800 . 2.800 2.351 2.240 2.501 . 0 0 "[ . 1 . 2]" 1
316 1 14 GLN HA 1 17 THR H 2.800 . 2.800 2.630 2.467 2.674 . 0 0 "[ . 1 . 2]" 1
317 1 14 GLN HA 1 17 THR H 4.500 . 4.500 3.680 2.836 4.299 . 0 0 "[ . 1 . 2]" 1
318 1 14 GLN HA 1 17 THR HB 4.500 . 4.500 3.249 2.333 4.422 . 0 0 "[ . 1 . 2]" 1
319 1 14 GLN HB2 1 14 GLN QG 2.800 . 2.800 2.349 2.291 2.434 . 0 0 "[ . 1 . 2]" 1
320 1 14 GLN HB2 1 15 GLN H 3.500 . 3.500 2.480 2.360 2.775 . 0 0 "[ . 1 . 2]" 1
321 1 14 GLN HB3 1 14 GLN QG 2.800 . 2.800 2.362 2.176 2.430 . 0 0 "[ . 1 . 2]" 1
322 1 14 GLN HB3 1 15 GLN H 3.500 . 3.500 3.513 3.111 3.602 0.102 6 0 "[ . 1 . 2]" 1
323 1 14 GLN QE 1 14 GLN QG . . 2.800 2.227 2.166 2.314 . 0 0 "[ . 1 . 2]" 1
324 1 15 GLN H 1 15 GLN HA 2.800 . 2.800 2.912 2.807 2.964 0.164 16 0 "[ . 1 . 2]" 1
325 1 15 GLN H 1 15 GLN QB 2.800 . 2.800 2.652 2.254 2.814 0.014 18 0 "[ . 1 . 2]" 1
326 1 15 GLN H 1 15 GLN QE 5.500 . 5.500 4.128 2.952 5.066 . 0 0 "[ . 1 . 2]" 1
327 1 15 GLN H 1 15 GLN QG . . 2.800 2.071 1.767 2.850 0.050 4 0 "[ . 1 . 2]" 1
328 1 15 GLN H 1 16 ALA H 2.800 . 2.800 2.501 2.327 2.820 0.020 6 0 "[ . 1 . 2]" 1
329 1 15 GLN H 1 16 ALA MB 4.500 . 4.500 4.111 3.882 4.505 0.005 12 0 "[ . 1 . 2]" 1
330 1 15 GLN HA 1 15 GLN QG 3.500 . 3.500 3.222 2.478 3.471 . 0 0 "[ . 1 . 2]" 1
331 1 15 GLN HA 1 16 ALA H . . 3.500 3.431 3.237 3.563 0.063 2 0 "[ . 1 . 2]" 1
332 1 15 GLN HA 1 16 ALA MB 5.500 . 5.500 4.954 4.842 5.037 . 0 0 "[ . 1 . 2]" 1
333 1 15 GLN HA 1 17 THR H 2.800 . 2.800 2.204 2.153 2.455 . 0 0 "[ . 1 . 2]" 1
334 1 15 GLN HA 1 18 SER H 2.800 . 2.800 2.462 2.402 2.568 . 0 0 "[ . 1 . 2]" 1
335 1 15 GLN HA 1 18 SER HB3 2.800 . 2.800 2.414 2.308 2.639 . 0 0 "[ . 1 . 2]" 1
336 1 15 GLN HA 1 19 ILE H 3.500 . 3.500 3.457 3.332 3.506 0.006 15 0 "[ . 1 . 2]" 1
337 1 15 GLN QB 1 16 ALA H 4.500 . 4.500 3.446 2.080 3.900 . 0 0 "[ . 1 . 2]" 1
338 1 15 GLN HB2 1 16 ALA MB 5.500 . 5.500 4.967 3.775 5.576 0.076 7 0 "[ . 1 . 2]" 1
339 1 15 GLN HB2 1 16 ALA MB 4.500 . 4.500 3.465 3.295 3.715 . 0 0 "[ . 1 . 2]" 1
340 1 15 GLN HB3 1 16 ALA H 4.500 . 4.500 4.066 3.422 4.442 . 0 0 "[ . 1 . 2]" 1
341 1 15 GLN HB3 1 16 ALA MB 5.500 . 5.500 5.401 4.881 5.600 0.100 15 0 "[ . 1 . 2]" 1
342 1 15 GLN QE 1 15 GLN QG . . 2.800 2.310 2.165 2.715 . 0 0 "[ . 1 . 2]" 1
343 1 15 GLN QG 1 16 ALA MB 5.500 . 5.500 3.635 2.912 5.082 . 0 0 "[ . 1 . 2]" 1
344 1 15 GLN QG 1 19 ILE MD 4.500 . 4.500 3.570 2.078 4.359 . 0 0 "[ . 1 . 2]" 1
345 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.225 2.106 2.307 . 0 0 "[ . 1 . 2]" 1
346 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.091 1.978 2.205 . 0 0 "[ . 1 . 2]" 1
347 1 16 ALA HA 1 19 ILE H 3.500 . 3.500 2.954 2.862 3.166 . 0 0 "[ . 1 . 2]" 1
348 1 16 ALA HA 1 18 SER H 5.500 . 5.500 4.178 3.890 4.459 . 0 0 "[ . 1 . 2]" 1
349 1 16 ALA HA 1 19 ILE HB . . 4.500 2.291 2.245 2.328 . 0 0 "[ . 1 . 2]" 1
350 1 16 ALA HA 1 19 ILE MD 2.800 . 2.800 2.280 2.238 2.327 . 0 0 "[ . 1 . 2]" 1
351 1 16 ALA HA 1 19 ILE HG12 5.500 . 5.500 3.722 3.576 3.831 . 0 0 "[ . 1 . 2]" 1
352 1 16 ALA HA 1 19 ILE HG13 4.500 . 4.500 4.643 4.574 4.696 0.196 4 0 "[ . 1 . 2]" 1
353 1 16 ALA HA 1 19 ILE MG 3.500 . 3.500 3.621 3.555 3.698 0.198 13 0 "[ . 1 . 2]" 1
354 1 16 ALA HA 1 33 TRP HH2 5.500 . 5.500 3.613 3.147 4.189 . 0 0 "[ . 1 . 2]" 1
355 1 16 ALA MB 1 17 THR H 2.800 . 2.800 2.557 2.289 2.803 0.003 18 0 "[ . 1 . 2]" 1
356 1 16 ALA MB 1 19 ILE HB 5.500 . 5.500 3.578 3.333 3.831 . 0 0 "[ . 1 . 2]" 1
357 1 16 ALA MB 1 19 ILE MD 4.500 . 4.500 3.695 3.589 3.758 . 0 0 "[ . 1 . 2]" 1
358 1 16 ALA MB 1 19 ILE MG 4.500 . 4.500 3.946 3.676 4.276 . 0 0 "[ . 1 . 2]" 1
359 1 16 ALA MB 1 33 TRP HH2 5.500 . 5.500 2.971 2.298 3.931 . 0 0 "[ . 1 . 2]" 1
360 1 16 ALA MB 1 33 TRP HZ2 5.500 . 5.500 3.800 2.836 4.650 . 0 0 "[ . 1 . 2]" 1
361 1 17 THR H 1 17 THR MG 3.500 . 3.500 3.644 3.619 3.710 0.210 9 0 "[ . 1 . 2]" 1
362 1 17 THR H 1 18 SER H 2.800 . 2.800 2.794 2.726 2.873 0.073 16 0 "[ . 1 . 2]" 1
363 1 17 THR H 1 18 SER H 2.800 . 2.800 2.448 2.370 2.495 . 0 0 "[ . 1 . 2]" 1
364 1 17 THR HA 1 17 THR MG 2.800 . 2.800 2.616 2.350 2.673 . 0 0 "[ . 1 . 2]" 1
365 1 17 THR HA 1 18 SER H 2.800 . 2.800 2.526 2.196 2.825 0.025 3 0 "[ . 1 . 2]" 1
366 1 17 THR HA 1 18 SER H 4.500 . 4.500 3.489 3.440 3.530 . 0 0 "[ . 1 . 2]" 1
367 1 17 THR HA 1 20 GLU H 3.500 . 3.500 3.514 3.362 3.575 0.075 6 0 "[ . 1 . 2]" 1
368 1 17 THR HA 1 20 GLU HB2 . . 4.500 2.787 2.600 3.038 . 0 0 "[ . 1 . 2]" 1
369 1 17 THR HA 1 20 GLU HB3 4.500 . 4.500 3.632 3.379 3.851 . 0 0 "[ . 1 . 2]" 1
370 1 17 THR HA 1 20 GLU QG 5.500 . 5.500 4.382 3.954 4.951 . 0 0 "[ . 1 . 2]" 1
371 1 17 THR HB 1 18 SER H 4.500 . 4.500 2.795 2.675 2.987 . 0 0 "[ . 1 . 2]" 1
372 1 17 THR MG 1 18 SER H 3.500 . 3.500 2.952 2.742 3.460 . 0 0 "[ . 1 . 2]" 1
373 1 17 THR MG 1 21 ARG QD . . 3.500 3.122 2.823 3.530 0.030 14 0 "[ . 1 . 2]" 1
374 1 17 THR MG 1 21 ARG QG . . 4.500 4.400 3.263 4.550 0.050 12 0 "[ . 1 . 2]" 1
375 1 18 SER H 1 18 SER HB2 3.500 . 3.500 3.539 3.528 3.552 0.052 12 0 "[ . 1 . 2]" 1
376 1 18 SER H 1 18 SER HB3 3.500 . 3.500 2.604 2.216 2.969 . 0 0 "[ . 1 . 2]" 1
377 1 18 SER H 1 19 ILE H 3.500 . 3.500 2.711 2.544 2.810 . 0 0 "[ . 1 . 2]" 1
378 1 18 SER H 1 19 ILE HB . . 4.500 4.452 4.319 4.521 0.021 14 0 "[ . 1 . 2]" 1
379 1 18 SER HA 1 21 ARG H 4.500 . 4.500 3.408 3.207 3.639 . 0 0 "[ . 1 . 2]" 1
380 1 18 SER HA 1 21 ARG HB2 5.500 . 5.500 3.647 2.847 5.529 0.029 13 0 "[ . 1 . 2]" 1
381 1 18 SER HA 1 21 ARG QD 4.500 . 4.500 2.801 2.262 3.900 . 0 0 "[ . 1 . 2]" 1
382 1 18 SER HA 1 21 ARG QG 5.500 . 5.500 3.793 2.237 4.424 . 0 0 "[ . 1 . 2]" 1
383 1 18 SER HB2 1 19 ILE H 4.500 . 4.500 3.516 3.115 3.958 . 0 0 "[ . 1 . 2]" 1
384 1 18 SER HB2 1 22 LEU MD1 5.500 . 5.500 3.679 3.026 4.256 . 0 0 "[ . 1 . 2]" 1
385 1 18 SER HB3 1 19 ILE H 5.500 . 5.500 3.758 3.430 4.083 . 0 0 "[ . 1 . 2]" 1
386 1 18 SER HB3 1 21 ARG QD 5.500 . 5.500 5.005 4.139 5.559 0.059 3 0 "[ . 1 . 2]" 1
387 1 18 SER HB3 1 22 LEU MD1 5.500 . 5.500 5.041 4.549 5.523 0.023 16 0 "[ . 1 . 2]" 1
388 1 18 SER HB3 1 22 LEU QD 5.500 . 5.500 4.609 4.133 5.020 . 0 0 "[ . 1 . 2]" 1
389 1 19 ILE H 1 19 ILE HB . . 2.800 2.197 2.161 2.236 . 0 0 "[ . 1 . 2]" 1
390 1 19 ILE H 1 19 ILE MD 3.500 . 3.500 1.851 1.790 1.967 0.010 8 0 "[ . 1 . 2]" 1
391 1 19 ILE H 1 19 ILE HG12 4.500 . 4.500 3.989 3.947 4.015 . 0 0 "[ . 1 . 2]" 1
392 1 19 ILE H 1 19 ILE HG13 3.500 . 3.500 3.554 3.520 3.601 0.101 7 0 "[ . 1 . 2]" 1
393 1 19 ILE H 1 19 ILE MG 3.500 . 3.500 3.636 3.612 3.661 0.161 5 0 "[ . 1 . 2]" 1
394 1 19 ILE H 1 20 GLU H 3.500 . 3.500 2.777 2.642 2.874 . 0 0 "[ . 1 . 2]" 1
395 1 19 ILE HA 1 19 ILE MD . . 2.800 2.827 2.725 2.902 0.102 16 0 "[ . 1 . 2]" 1
396 1 19 ILE HA 1 19 ILE HG12 3.500 . 3.500 3.545 3.534 3.558 0.058 5 0 "[ . 1 . 2]" 1
397 1 19 ILE HA 1 19 ILE HG13 4.500 . 4.500 2.233 2.216 2.255 . 0 0 "[ . 1 . 2]" 1
398 1 19 ILE HA 1 19 ILE HG13 4.500 . 4.500 2.222 2.203 2.244 . 0 0 "[ . 1 . 2]" 1
399 1 19 ILE HA 1 19 ILE MG 2.800 . 2.800 2.639 2.592 2.678 . 0 0 "[ . 1 . 2]" 1
400 1 19 ILE HA 1 19 ILE MG 3.500 . 3.500 2.363 2.141 2.436 . 0 0 "[ . 1 . 2]" 1
401 1 19 ILE HA 1 23 CYS H 5.500 . 5.500 3.246 2.971 3.636 . 0 0 "[ . 1 . 2]" 1
402 1 19 ILE HA 1 22 LEU H . . 4.500 3.208 2.927 3.526 . 0 0 "[ . 1 . 2]" 1
403 1 19 ILE HA 1 22 LEU HB2 4.500 . 4.500 2.521 2.298 2.903 . 0 0 "[ . 1 . 2]" 1
404 1 19 ILE HA 1 22 LEU HB3 5.500 . 5.500 4.040 3.828 4.334 . 0 0 "[ . 1 . 2]" 1
405 1 19 ILE HA 1 22 LEU MD1 3.500 . 3.500 2.718 2.285 2.929 . 0 0 "[ . 1 . 2]" 1
406 1 19 ILE HA 1 22 LEU MD2 4.500 . 4.500 4.165 4.006 4.539 0.039 11 0 "[ . 1 . 2]" 1
407 1 19 ILE HA 1 22 LEU HG 4.500 . 4.500 2.526 2.331 3.201 . 0 0 "[ . 1 . 2]" 1
408 1 19 ILE HB 1 19 ILE MD 2.800 . 2.800 2.277 2.235 2.296 . 0 0 "[ . 1 . 2]" 1
409 1 19 ILE HB 1 20 GLU H 5.500 . 5.500 2.963 2.696 3.392 . 0 0 "[ . 1 . 2]" 1
410 1 19 ILE HB 1 20 GLU H 2.800 . 2.800 2.194 2.088 2.357 . 0 0 "[ . 1 . 2]" 1
411 1 19 ILE HB 1 33 TRP HH2 5.500 . 5.500 3.442 2.955 4.272 . 0 0 "[ . 1 . 2]" 1
412 1 19 ILE MD 1 33 TRP HH2 4.500 . 4.500 2.492 2.060 3.117 . 0 0 "[ . 1 . 2]" 1
413 1 19 ILE MD 1 33 TRP HH2 4.500 . 4.500 4.414 4.034 4.631 0.131 6 0 "[ . 1 . 2]" 1
414 1 19 ILE HG12 1 19 ILE MG . . 2.800 2.133 2.120 2.149 . 0 0 "[ . 1 . 2]" 1
415 1 19 ILE HG13 1 19 ILE MG 2.800 . 2.800 2.609 2.571 2.641 . 0 0 "[ . 1 . 2]" 1
416 1 19 ILE HG13 1 20 GLU H 5.500 . 5.500 5.053 4.962 5.172 . 0 0 "[ . 1 . 2]" 1
417 1 19 ILE MG 1 20 GLU H 4.500 . 4.500 3.131 2.862 3.531 . 0 0 "[ . 1 . 2]" 1
418 1 19 ILE MG 1 20 GLU HA 4.500 . 4.500 3.181 3.065 3.332 . 0 0 "[ . 1 . 2]" 1
419 1 19 ILE MG 1 22 LEU H 4.500 . 4.500 4.412 4.074 4.528 0.028 9 0 "[ . 1 . 2]" 1
420 1 19 ILE MG 1 22 LEU HB2 3.500 . 3.500 3.543 3.400 3.621 0.121 13 0 "[ . 1 . 2]" 1
421 1 19 ILE MG 1 23 CYS H 5.500 . 5.500 3.201 2.927 4.051 . 0 0 "[ . 1 . 2]" 1
422 1 19 ILE MG 1 32 PHE HB2 4.500 . 4.500 4.355 4.196 4.529 0.029 6 0 "[ . 1 . 2]" 1
423 1 19 ILE MG 1 32 PHE HB3 5.500 . 5.500 5.507 5.286 5.583 0.083 5 0 "[ . 1 . 2]" 1
424 1 19 ILE MG 1 32 PHE QD . . 4.500 3.578 3.036 4.514 0.014 10 0 "[ . 1 . 2]" 1
425 1 19 ILE MG 1 32 PHE QE 5.500 . 5.500 4.041 2.852 5.078 . 0 0 "[ . 1 . 2]" 1
426 1 19 ILE MG 1 32 PHE QE 4.500 . 4.500 2.460 2.056 3.126 . 0 0 "[ . 1 . 2]" 1
427 1 19 ILE MG 1 33 TRP HZ2 5.500 . 5.500 2.343 2.251 2.815 . 0 0 "[ . 1 . 2]" 1
428 1 20 GLU H 1 20 GLU HB3 2.800 . 2.800 2.795 2.688 2.888 0.088 8 0 "[ . 1 . 2]" 1
429 1 20 GLU H 1 20 GLU QG . . 4.500 3.922 3.791 4.092 . 0 0 "[ . 1 . 2]" 1
430 1 20 GLU H 1 20 GLU HG3 4.500 . 4.500 4.386 4.125 4.571 0.071 2 0 "[ . 1 . 2]" 1
431 1 20 GLU H 1 21 ARG H 2.800 . 2.800 2.796 2.595 2.843 0.043 10 0 "[ . 1 . 2]" 1
432 1 20 GLU H 1 33 TRP HZ2 5.500 . 5.500 4.016 3.148 4.768 . 0 0 "[ . 1 . 2]" 1
433 1 20 GLU HA 1 21 ARG H 4.500 . 4.500 3.563 3.523 3.616 . 0 0 "[ . 1 . 2]" 1
434 1 20 GLU HA 1 23 CYS H 5.500 . 5.500 4.030 3.441 4.369 . 0 0 "[ . 1 . 2]" 1
435 1 20 GLU HA 1 23 CYS QB 4.500 . 4.500 3.563 2.481 4.323 . 0 0 "[ . 1 . 2]" 1
436 1 20 GLU HB2 1 21 ARG H . . 3.500 3.556 3.511 3.605 0.105 8 0 "[ . 1 . 2]" 1
437 1 20 GLU HB2 1 33 TRP HZ2 5.500 . 5.500 3.930 2.369 5.204 . 0 0 "[ . 1 . 2]" 1
438 1 20 GLU HB3 1 21 ARG H 3.500 . 3.500 2.428 2.114 2.681 . 0 0 "[ . 1 . 2]" 1
439 1 20 GLU HB3 1 33 TRP HZ2 5.500 . 5.500 4.024 2.934 5.170 . 0 0 "[ . 1 . 2]" 1
440 1 20 GLU HB3 1 21 ARG H 5.500 . 5.500 2.449 2.132 2.715 . 0 0 "[ . 1 . 2]" 1
441 1 20 GLU QG 1 21 ARG H 4.500 . 4.500 4.032 3.506 4.492 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLU QG 1 33 TRP HZ2 5.500 . 5.500 4.179 3.015 5.496 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLU HG2 1 33 TRP HE1 4.500 . 4.500 4.122 1.903 4.544 0.044 8 0 "[ . 1 . 2]" 1
444 1 20 GLU HG3 1 33 TRP HE1 5.500 . 5.500 3.882 2.084 5.549 0.049 5 0 "[ . 1 . 2]" 1
445 1 21 ARG H 1 21 ARG HB2 3.500 . 3.500 2.580 2.225 3.540 0.040 11 0 "[ . 1 . 2]" 1
446 1 21 ARG H 1 21 ARG QB 2.800 . 2.800 2.454 2.203 2.934 0.134 14 0 "[ . 1 . 2]" 1
447 1 21 ARG H 1 21 ARG HB3 3.500 . 3.500 3.508 3.060 3.613 0.113 5 0 "[ . 1 . 2]" 1
448 1 21 ARG H 1 21 ARG QD 4.500 . 4.500 1.984 1.740 3.917 0.060 9 0 "[ . 1 . 2]" 1
449 1 21 ARG H 1 21 ARG QG 3.500 . 3.500 2.895 1.765 3.516 0.035 3 0 "[ . 1 . 2]" 1
450 1 21 ARG HA 1 21 ARG QD . . 3.500 3.033 2.298 3.631 0.131 17 0 "[ . 1 . 2]" 1
451 1 21 ARG HA 1 21 ARG QG . . 3.500 2.547 2.230 3.424 . 0 0 "[ . 1 . 2]" 1
452 1 21 ARG HA 1 22 LEU H 4.500 . 4.500 3.528 3.408 3.573 . 0 0 "[ . 1 . 2]" 1
453 1 21 ARG HA 1 24 GLN H 4.500 . 4.500 3.336 3.218 3.407 . 0 0 "[ . 1 . 2]" 1
454 1 21 ARG HA 1 24 GLN H 5.500 . 5.500 3.984 3.720 4.229 . 0 0 "[ . 1 . 2]" 1
455 1 21 ARG HA 1 24 GLN HB2 4.500 . 4.500 2.926 2.475 3.183 . 0 0 "[ . 1 . 2]" 1
456 1 21 ARG HA 1 24 GLN QB 4.500 . 4.500 2.886 2.446 3.127 . 0 0 "[ . 1 . 2]" 1
457 1 21 ARG HA 1 24 GLN HB3 4.500 . 4.500 4.399 3.843 4.577 0.077 10 0 "[ . 1 . 2]" 1
458 1 21 ARG HA 1 24 GLN QG 4.500 . 4.500 3.898 2.976 4.395 . 0 0 "[ . 1 . 2]" 1
459 1 21 ARG QB 1 21 ARG QD 2.800 . 2.800 2.305 2.156 2.819 0.019 3 0 "[ . 1 . 2]" 1
460 1 21 ARG QB 1 22 LEU H 2.800 . 2.800 2.073 1.846 2.484 . 0 0 "[ . 1 . 2]" 1
461 1 21 ARG HB3 1 21 ARG QD 3.500 . 3.500 3.099 2.189 3.436 . 0 0 "[ . 1 . 2]" 1
462 1 21 ARG QG 1 22 LEU H 3.500 . 3.500 3.325 2.590 3.512 0.012 10 0 "[ . 1 . 2]" 1
463 1 22 LEU H 1 22 LEU HB2 . . 2.800 2.648 2.433 2.713 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU H 1 22 LEU MD1 4.500 . 4.500 3.745 3.605 3.901 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU H 1 22 LEU QD 3.500 . 3.500 2.566 2.373 3.242 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU H 1 22 LEU MD2 3.500 . 3.500 2.622 2.404 3.520 0.020 11 0 "[ . 1 . 2]" 1
467 1 22 LEU H 1 22 LEU HG 3.500 . 3.500 2.139 1.908 2.524 . 0 0 "[ . 1 . 2]" 1
468 1 22 LEU H 1 23 CYS H 3.500 . 3.500 2.803 2.604 3.083 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU H 1 23 CYS H 3.500 . 3.500 2.762 2.562 3.013 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU H 1 24 GLN H 5.500 . 5.500 4.214 3.744 4.871 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU HA 1 22 LEU MD1 3.500 . 3.500 3.677 3.634 3.756 0.256 11 0 "[ . 1 . 2]" 1
472 1 22 LEU HA 1 22 LEU QD 3.500 . 3.500 2.056 2.045 2.066 . 0 0 "[ . 1 . 2]" 1
473 1 22 LEU HA 1 22 LEU MD2 2.800 . 2.800 2.067 2.054 2.077 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU HA 1 22 LEU HG . . 4.500 3.371 3.010 3.439 . 0 0 "[ . 1 . 2]" 1
475 1 22 LEU HA 1 23 CYS H . . 4.500 3.569 3.458 3.601 . 0 0 "[ . 1 . 2]" 1
476 1 22 LEU HA 1 24 GLN H 5.500 . 5.500 4.638 3.746 5.435 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU HA 1 25 HIS H 5.500 . 5.500 3.518 2.998 4.044 . 0 0 "[ . 1 . 2]" 1
478 1 22 LEU HA 1 25 HIS H 2.800 . 2.800 2.815 2.662 2.892 0.092 15 0 "[ . 1 . 2]" 1
479 1 22 LEU HA 1 25 HIS HB2 5.500 . 5.500 3.405 3.066 3.951 . 0 0 "[ . 1 . 2]" 1
480 1 22 LEU HA 1 25 HIS HB3 5.500 . 5.500 3.216 2.879 3.849 . 0 0 "[ . 1 . 2]" 1
481 1 22 LEU HA 1 26 TYR QE 5.500 . 5.500 3.293 3.099 3.579 . 0 0 "[ . 1 . 2]" 1
482 1 22 LEU HB2 1 22 LEU MD1 2.800 . 2.800 2.489 2.297 2.551 . 0 0 "[ . 1 . 2]" 1
483 1 22 LEU HB2 1 22 LEU QD 2.800 . 2.800 2.408 2.250 2.456 . 0 0 "[ . 1 . 2]" 1
484 1 22 LEU HB2 1 22 LEU MD2 3.500 . 3.500 3.205 3.200 3.226 . 0 0 "[ . 1 . 2]" 1
485 1 22 LEU HB2 1 22 LEU HG . . 2.800 2.347 2.326 2.420 . 0 0 "[ . 1 . 2]" 1
486 1 22 LEU HB2 1 23 CYS H . . 3.500 2.123 1.895 2.955 . 0 0 "[ . 1 . 2]" 1
487 1 22 LEU HB2 1 26 TYR QD 5.500 . 5.500 3.712 3.406 4.257 . 0 0 "[ . 1 . 2]" 1
488 1 22 LEU HB3 1 22 LEU MD1 2.800 . 2.800 2.228 2.210 2.356 . 0 0 "[ . 1 . 2]" 1
489 1 22 LEU HB3 1 22 LEU QD 2.800 . 2.800 2.082 2.069 2.108 . 0 0 "[ . 1 . 2]" 1
490 1 22 LEU HB3 1 22 LEU MD2 2.800 . 2.800 2.505 2.344 2.583 . 0 0 "[ . 1 . 2]" 1
491 1 22 LEU HB3 1 22 LEU HG 2.800 . 2.800 2.977 2.972 2.983 0.183 11 0 "[ . 1 . 2]" 1
492 1 22 LEU HB3 1 23 CYS H . . 4.500 3.366 2.911 4.034 . 0 0 "[ . 1 . 2]" 1
493 1 22 LEU QD 1 23 CYS H 5.500 . 5.500 3.814 3.718 4.029 . 0 0 "[ . 1 . 2]" 1
494 1 22 LEU QD 1 26 TYR QD 3.500 . 3.500 3.371 2.980 3.567 0.067 15 0 "[ . 1 . 2]" 1
495 1 22 LEU QD 1 26 TYR QE 2.800 . 2.800 2.424 2.224 2.570 . 0 0 "[ . 1 . 2]" 1
496 1 22 LEU MD1 1 26 TYR QD 5.500 . 5.500 4.012 3.727 4.597 . 0 0 "[ . 1 . 2]" 1
497 1 22 LEU MD1 1 26 TYR QE 4.500 . 4.500 2.967 2.409 3.884 . 0 0 "[ . 1 . 2]" 1
498 1 22 LEU MD2 1 25 HIS HB2 5.500 . 5.500 4.442 4.226 4.919 . 0 0 "[ . 1 . 2]" 1
499 1 22 LEU MD2 1 25 HIS HB3 5.500 . 5.500 4.308 3.846 4.757 . 0 0 "[ . 1 . 2]" 1
500 1 22 LEU MD2 1 26 TYR QD 4.500 . 4.500 3.642 3.134 4.019 . 0 0 "[ . 1 . 2]" 1
501 1 22 LEU MD2 1 26 TYR QE 2.800 . 2.800 2.619 2.309 2.823 0.023 17 0 "[ . 1 . 2]" 1
502 1 22 LEU HG 1 23 CYS H 5.500 . 5.500 3.862 3.759 4.185 . 0 0 "[ . 1 . 2]" 1
503 1 22 LEU HG 1 26 TYR QD 5.500 . 5.500 5.169 4.970 5.589 0.089 15 0 "[ . 1 . 2]" 1
504 1 22 LEU HG 1 26 TYR QE 5.500 . 5.500 4.900 4.586 5.201 . 0 0 "[ . 1 . 2]" 1
505 1 23 CYS H 1 23 CYS QB 3.500 . 3.500 2.424 2.158 2.939 . 0 0 "[ . 1 . 2]" 1
506 1 23 CYS HA 1 26 TYR H 5.500 . 5.500 3.618 3.280 4.262 . 0 0 "[ . 1 . 2]" 1
507 1 23 CYS HA 1 26 TYR HB2 5.500 . 5.500 2.527 2.301 3.325 . 0 0 "[ . 1 . 2]" 1
508 1 23 CYS HA 1 27 ILE H . . 4.500 2.694 2.499 2.852 . 0 0 "[ . 1 . 2]" 1
509 1 23 CYS HA 1 27 ILE HA 5.500 . 5.500 5.509 5.306 5.623 0.123 20 0 "[ . 1 . 2]" 1
510 1 23 CYS HA 1 27 ILE HB 5.500 . 5.500 4.301 4.075 4.470 . 0 0 "[ . 1 . 2]" 1
511 1 23 CYS HA 1 27 ILE HB 5.500 . 5.500 4.173 3.983 4.302 . 0 0 "[ . 1 . 2]" 1
512 1 23 CYS HA 1 27 ILE MD 4.500 . 4.500 2.574 2.277 2.867 . 0 0 "[ . 1 . 2]" 1
513 1 23 CYS HA 1 27 ILE MD 4.500 . 4.500 2.930 2.872 3.016 . 0 0 "[ . 1 . 2]" 1
514 1 23 CYS HA 1 27 ILE HG12 5.500 . 5.500 5.073 4.961 5.162 . 0 0 "[ . 1 . 2]" 1
515 1 23 CYS HA 1 27 ILE HG13 5.500 . 5.500 5.592 5.538 5.644 0.144 9 0 "[ . 1 . 2]" 1
516 1 23 CYS QB 1 24 GLN H 3.500 . 3.500 2.859 2.086 3.543 0.043 12 0 "[ . 1 . 2]" 1
517 1 23 CYS QB 1 27 ILE HG12 5.500 . 5.500 5.458 5.200 5.647 0.147 14 0 "[ . 1 . 2]" 1
518 1 23 CYS QB 1 27 ILE MG 5.500 . 5.500 2.594 2.200 2.877 . 0 0 "[ . 1 . 2]" 1
519 1 23 CYS QB 1 30 CYS HA 5.500 . 5.500 2.809 2.240 3.776 . 0 0 "[ . 1 . 2]" 1
520 1 23 CYS QB 1 30 CYS HB3 5.500 . 5.500 4.509 3.784 5.532 0.032 18 0 "[ . 1 . 2]" 1
521 1 24 GLN H 1 24 GLN HB2 . . 2.800 2.344 2.208 2.473 . 0 0 "[ . 1 . 2]" 1
522 1 24 GLN H 1 24 GLN HB3 3.500 . 3.500 3.567 3.527 3.586 0.086 11 0 "[ . 1 . 2]" 1
523 1 24 GLN H 1 24 GLN QG . . 3.500 2.455 2.063 3.451 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLN H 1 25 HIS H 3.500 . 3.500 2.743 2.380 2.865 . 0 0 "[ . 1 . 2]" 1
525 1 24 GLN HA 1 25 HIS H 5.500 . 5.500 3.483 3.438 3.565 . 0 0 "[ . 1 . 2]" 1
526 1 24 GLN HA 1 27 ILE MG 5.500 . 5.500 3.898 3.353 4.347 . 0 0 "[ . 1 . 2]" 1
527 1 24 GLN HA 1 28 GLY H 5.500 . 5.500 3.427 3.203 3.669 . 0 0 "[ . 1 . 2]" 1
528 1 24 GLN HA 1 28 GLY QA 4.500 . 4.500 3.285 2.416 3.913 . 0 0 "[ . 1 . 2]" 1
529 1 24 GLN HA 1 29 TRP H 4.500 . 4.500 4.096 3.533 4.592 0.092 10 0 "[ . 1 . 2]" 1
530 1 24 GLN HB2 1 25 HIS H . . 4.500 2.983 2.803 3.157 . 0 0 "[ . 1 . 2]" 1
531 1 24 GLN HB3 1 25 HIS H . . 4.500 3.723 3.290 3.867 . 0 0 "[ . 1 . 2]" 1
532 1 25 HIS H 1 25 HIS HB2 . . 2.800 2.468 2.398 2.555 . 0 0 "[ . 1 . 2]" 1
533 1 25 HIS H 1 25 HIS HB3 . . 2.800 2.813 2.744 2.846 0.046 6 0 "[ . 1 . 2]" 1
534 1 25 HIS H 1 26 TYR H 3.500 . 3.500 2.538 2.432 2.697 . 0 0 "[ . 1 . 2]" 1
535 1 25 HIS HA 1 26 TYR H 5.500 . 5.500 3.552 3.540 3.560 . 0 0 "[ . 1 . 2]" 1
536 1 25 HIS HB2 1 26 TYR H 5.500 . 5.500 3.246 3.199 3.288 . 0 0 "[ . 1 . 2]" 1
537 1 25 HIS HB2 1 26 TYR H 2.800 . 2.800 3.020 2.993 3.044 0.244 12 0 "[ . 1 . 2]" 1
538 1 25 HIS HB3 1 26 TYR H 3.500 . 3.500 1.971 1.855 2.118 . 0 0 "[ . 1 . 2]" 1
539 1 25 HIS HB3 1 26 TYR QE 5.500 . 5.500 4.048 3.395 4.446 . 0 0 "[ . 1 . 2]" 1
540 1 26 TYR H 1 26 TYR HB2 . . 3.500 2.395 2.301 2.700 . 0 0 "[ . 1 . 2]" 1
541 1 26 TYR H 1 26 TYR QD 4.500 . 4.500 2.126 1.795 2.641 0.005 12 0 "[ . 1 . 2]" 1
542 1 26 TYR H 1 26 TYR QE 5.500 . 5.500 4.218 3.998 4.384 . 0 0 "[ . 1 . 2]" 1
543 1 26 TYR H 1 27 ILE H 3.500 . 3.500 3.318 3.198 3.402 . 0 0 "[ . 1 . 2]" 1
544 1 26 TYR HA 1 26 TYR QD 3.500 . 3.500 2.831 2.193 3.039 . 0 0 "[ . 1 . 2]" 1
545 1 26 TYR HB2 1 26 TYR QD 3.500 . 3.500 2.479 2.341 2.770 . 0 0 "[ . 1 . 2]" 1
546 1 26 TYR HB2 1 27 ILE H 5.500 . 5.500 2.306 2.084 2.409 . 0 0 "[ . 1 . 2]" 1
547 1 26 TYR HB3 1 26 TYR QD 3.500 . 3.500 2.413 2.319 2.759 . 0 0 "[ . 1 . 2]" 1
548 1 26 TYR HB3 1 27 ILE H . . 4.500 2.828 2.567 3.235 . 0 0 "[ . 1 . 2]" 1
549 1 27 ILE H 1 27 ILE HB . . 3.500 2.708 2.662 2.771 . 0 0 "[ . 1 . 2]" 1
550 1 27 ILE H 1 27 ILE MD 4.500 . 4.500 4.410 4.368 4.448 . 0 0 "[ . 1 . 2]" 1
551 1 27 ILE H 1 27 ILE MD 4.500 . 4.500 2.052 1.938 2.235 . 0 0 "[ . 1 . 2]" 1
552 1 27 ILE H 1 27 ILE HG12 4.500 . 4.500 4.498 4.477 4.515 0.015 15 0 "[ . 1 . 2]" 1
553 1 27 ILE H 1 27 ILE HG13 4.500 . 4.500 4.511 4.490 4.533 0.033 10 0 "[ . 1 . 2]" 1
554 1 27 ILE H 1 27 ILE MG 4.500 . 4.500 2.056 1.940 2.242 . 0 0 "[ . 1 . 2]" 1
555 1 27 ILE H 1 28 GLY H 2.800 . 2.800 2.387 2.278 2.512 . 0 0 "[ . 1 . 2]" 1
556 1 27 ILE H 1 28 GLY QA 5.500 . 5.500 4.369 4.206 4.496 . 0 0 "[ . 1 . 2]" 1
557 1 27 ILE H 1 29 TRP H . . 4.500 4.572 4.430 4.670 0.170 5 0 "[ . 1 . 2]" 1
558 1 27 ILE HA 1 27 ILE MD 4.500 . 4.500 3.696 3.678 3.725 . 0 0 "[ . 1 . 2]" 1
559 1 27 ILE HA 1 27 ILE MD 3.500 . 3.500 3.017 3.000 3.033 . 0 0 "[ . 1 . 2]" 1
560 1 27 ILE HA 1 27 ILE HG12 . . 4.500 3.059 3.019 3.124 . 0 0 "[ . 1 . 2]" 1
561 1 27 ILE HA 1 27 ILE HG13 . . 4.500 2.346 2.319 2.387 . 0 0 "[ . 1 . 2]" 1
562 1 27 ILE HA 1 27 ILE MG 2.800 . 2.800 3.008 2.962 3.042 0.242 15 0 "[ . 1 . 2]" 1
563 1 27 ILE HA 1 28 GLY H 5.500 . 5.500 3.533 3.490 3.574 . 0 0 "[ . 1 . 2]" 1
564 1 27 ILE HA 1 29 TRP H 5.500 . 5.500 4.632 4.533 4.746 . 0 0 "[ . 1 . 2]" 1
565 1 27 ILE HB 1 27 ILE MD 2.800 . 2.800 2.256 2.197 2.293 . 0 0 "[ . 1 . 2]" 1
566 1 27 ILE HB 1 28 GLY H 4.500 . 4.500 3.953 3.768 4.078 . 0 0 "[ . 1 . 2]" 1
567 1 27 ILE HB 1 29 TRP H 4.500 . 4.500 4.568 4.514 4.608 0.108 16 0 "[ . 1 . 2]" 1
568 1 27 ILE HB 1 31 PRO HA 5.500 . 5.500 5.637 5.585 5.703 0.203 15 0 "[ . 1 . 2]" 1
569 1 27 ILE MD 1 28 GLY H 4.500 . 4.500 2.061 1.805 2.194 . 0 0 "[ . 1 . 2]" 1
570 1 27 ILE MD 1 29 TRP H 2.800 . 2.800 1.741 1.699 1.778 0.101 5 0 "[ . 1 . 2]" 1
571 1 27 ILE MD 1 29 TRP HE1 4.500 . 4.500 2.030 1.762 4.111 0.038 5 0 "[ . 1 . 2]" 1
572 1 27 ILE MD 1 28 GLY H 5.500 . 5.500 4.689 4.489 4.888 . 0 0 "[ . 1 . 2]" 1
573 1 27 ILE MD 1 29 TRP H 5.500 . 5.500 3.717 3.632 3.831 . 0 0 "[ . 1 . 2]" 1
574 1 27 ILE MD 1 31 PRO QD 3.500 . 3.500 3.443 3.289 3.621 0.121 16 0 "[ . 1 . 2]" 1
575 1 27 ILE MD 1 31 PRO QG 4.500 . 4.500 3.056 2.425 3.330 . 0 0 "[ . 1 . 2]" 1
576 1 27 ILE HG12 1 27 ILE MG 2.800 . 2.800 2.327 2.230 2.401 . 0 0 "[ . 1 . 2]" 1
577 1 27 ILE HG13 1 27 ILE MG 3.500 . 3.500 3.187 3.164 3.207 . 0 0 "[ . 1 . 2]" 1
578 1 27 ILE HG13 1 28 GLY H 5.500 . 5.500 4.788 4.699 4.864 . 0 0 "[ . 1 . 2]" 1
579 1 27 ILE HG13 1 29 TRP H 4.500 . 4.500 4.497 4.438 4.533 0.033 12 0 "[ . 1 . 2]" 1
580 1 27 ILE MG 1 28 GLY H 4.500 . 4.500 2.063 1.806 2.198 . 0 0 "[ . 1 . 2]" 1
581 1 27 ILE MG 1 28 GLY HA2 5.500 . 5.500 3.913 3.773 3.984 . 0 0 "[ . 1 . 2]" 1
582 1 27 ILE MG 1 29 TRP H 3.500 . 3.500 1.744 1.702 1.782 0.098 5 0 "[ . 1 . 2]" 1
583 1 27 ILE MG 1 29 TRP QB 4.500 . 4.500 3.958 3.806 4.027 . 0 0 "[ . 1 . 2]" 1
584 1 27 ILE MG 1 29 TRP HD1 5.500 . 5.500 2.990 2.630 4.865 . 0 0 "[ . 1 . 2]" 1
585 1 27 ILE MG 1 29 TRP HZ2 5.500 . 5.500 4.787 4.520 4.968 . 0 0 "[ . 1 . 2]" 1
586 1 28 GLY H 1 28 GLY HA2 2.800 . 2.800 2.528 2.485 2.581 . 0 0 "[ . 1 . 2]" 1
587 1 28 GLY H 1 29 TRP H . . 2.800 2.809 2.751 2.834 0.034 14 0 "[ . 1 . 2]" 1
588 1 28 GLY QA 1 29 TRP H . . 3.500 2.706 2.638 2.779 . 0 0 "[ . 1 . 2]" 1
589 1 29 TRP H 1 29 TRP QB . . 2.800 2.898 2.591 2.969 0.169 15 0 "[ . 1 . 2]" 1
590 1 29 TRP H 1 29 TRP HD1 4.500 . 4.500 2.088 1.750 4.855 0.355 17 0 "[ . 1 . 2]" 1
591 1 29 TRP H 1 30 CYS H 5.500 . 5.500 4.372 4.260 4.526 . 0 0 "[ . 1 . 2]" 1
592 1 29 TRP HA 1 29 TRP HD1 4.500 . 4.500 4.052 3.860 4.174 . 0 0 "[ . 1 . 2]" 1
593 1 29 TRP HA 1 30 CYS H 2.800 . 2.800 2.757 2.559 2.866 0.066 9 0 "[ . 1 . 2]" 1
594 1 29 TRP QB 1 29 TRP HD1 3.500 . 3.500 2.746 2.566 2.786 . 0 0 "[ . 1 . 2]" 1
595 1 29 TRP QB 1 30 CYS H . . 3.500 2.124 1.868 2.697 . 0 0 "[ . 1 . 2]" 1
596 1 29 TRP QB 1 31 PRO QD 5.500 . 5.500 5.091 4.837 5.286 . 0 0 "[ . 1 . 2]" 1
597 1 29 TRP HD1 1 30 CYS H 5.500 . 5.500 4.663 1.935 5.348 . 0 0 "[ . 1 . 2]" 1
598 1 29 TRP HE1 1 31 PRO HA 4.500 . 4.500 4.230 2.665 4.560 0.060 5 0 "[ . 1 . 2]" 1
599 1 29 TRP HE1 1 31 PRO QG 5.500 . 5.500 5.535 4.792 5.642 0.142 2 0 "[ . 1 . 2]" 1
600 1 29 TRP HH2 1 31 PRO HB2 5.500 . 5.500 5.556 5.535 5.588 0.088 17 0 "[ . 1 . 2]" 1
601 1 29 TRP HH2 1 31 PRO HB3 5.500 . 5.500 5.111 4.641 5.363 . 0 0 "[ . 1 . 2]" 1
602 1 29 TRP HZ3 1 31 PRO HA 5.500 . 5.500 4.174 3.735 5.618 0.118 16 0 "[ . 1 . 2]" 1
603 1 30 CYS H 1 30 CYS HB2 . . 3.500 3.560 3.509 3.579 0.079 6 0 "[ . 1 . 2]" 1
604 1 30 CYS H 1 31 PRO QD . . 4.500 4.194 4.025 4.266 . 0 0 "[ . 1 . 2]" 1
605 1 30 CYS HA 1 31 PRO QD 4.500 . 4.500 2.081 2.069 2.099 . 0 0 "[ . 1 . 2]" 1
606 1 30 CYS HA 1 31 PRO QG 5.500 . 5.500 4.022 4.013 4.032 . 0 0 "[ . 1 . 2]" 1
607 1 30 CYS HB2 1 31 PRO QD 5.500 . 5.500 3.553 3.443 3.773 . 0 0 "[ . 1 . 2]" 1
608 1 30 CYS HB3 1 31 PRO QD 5.500 . 5.500 3.924 3.860 3.984 . 0 0 "[ . 1 . 2]" 1
609 1 30 CYS HB3 1 33 TRP H 5.500 . 5.500 4.480 4.073 4.767 . 0 0 "[ . 1 . 2]" 1
610 1 31 PRO HA 1 32 PHE H . . 3.500 3.536 3.497 3.571 0.071 18 0 "[ . 1 . 2]" 1
611 1 31 PRO HA 1 32 PHE QD 5.500 . 5.500 5.273 4.500 5.533 0.033 17 0 "[ . 1 . 2]" 1
612 1 31 PRO HB3 1 32 PHE H 5.500 . 5.500 4.134 3.885 4.334 . 0 0 "[ . 1 . 2]" 1
613 1 31 PRO QD 1 32 PHE H 3.500 . 3.500 2.401 2.248 2.888 . 0 0 "[ . 1 . 2]" 1
614 1 31 PRO QD 1 32 PHE QD 5.500 . 5.500 3.270 2.555 4.022 . 0 0 "[ . 1 . 2]" 1
615 1 31 PRO QG 1 32 PHE H 4.500 . 4.500 2.684 2.226 3.753 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE H 1 32 PHE HA 2.800 . 2.800 2.911 2.887 2.942 0.142 10 0 "[ . 1 . 2]" 1
617 1 32 PHE H 1 32 PHE HB2 . . 3.500 2.288 2.216 2.509 . 0 0 "[ . 1 . 2]" 1
618 1 32 PHE H 1 32 PHE HB3 . . 3.500 3.557 3.524 3.595 0.095 16 0 "[ . 1 . 2]" 1
619 1 32 PHE H 1 32 PHE QD 4.500 . 4.500 2.555 2.196 2.715 . 0 0 "[ . 1 . 2]" 1
620 1 32 PHE H 1 33 TRP H 2.800 . 2.800 2.821 2.803 2.848 0.048 11 0 "[ . 1 . 2]" 1
621 1 32 PHE HA 1 32 PHE QD 3.500 . 3.500 2.699 2.457 2.865 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE HA 1 33 TRP H 2.800 . 2.800 2.831 2.809 2.841 0.041 9 0 "[ . 1 . 2]" 1
623 1 32 PHE HA 1 33 TRP HZ3 5.500 . 5.500 5.536 5.499 5.564 0.064 10 0 "[ . 1 . 2]" 1
624 1 32 PHE HB2 1 33 TRP H 3.500 . 3.500 2.158 1.901 2.361 . 0 0 "[ . 1 . 2]" 1
625 1 32 PHE HB2 1 33 TRP HE3 5.500 . 5.500 2.905 2.802 3.075 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE HB3 1 33 TRP H 4.500 . 4.500 2.795 2.586 3.089 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE HB3 1 33 TRP HE3 4.500 . 4.500 2.359 2.302 2.747 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE QD 1 33 TRP H 5.500 . 5.500 4.086 3.613 4.283 . 0 0 "[ . 1 . 2]" 1
629 1 33 TRP H 1 33 TRP HB2 3.500 . 3.500 3.580 3.559 3.622 0.122 13 0 "[ . 1 . 2]" 1
630 1 33 TRP H 1 33 TRP HB3 3.500 . 3.500 3.099 2.991 3.225 . 0 0 "[ . 1 . 2]" 1
631 1 33 TRP H 1 33 TRP HE3 5.500 . 5.500 2.844 2.531 3.196 . 0 0 "[ . 1 . 2]" 1
632 1 33 TRP HA 1 33 TRP HD1 4.500 . 4.500 4.522 4.478 4.550 0.050 10 0 "[ . 1 . 2]" 1
633 1 33 TRP HA 1 33 TRP HE3 5.500 . 5.500 3.978 3.907 4.071 . 0 0 "[ . 1 . 2]" 1
634 1 33 TRP HB2 1 33 TRP HD1 3.500 . 3.500 2.629 2.607 2.652 . 0 0 "[ . 1 . 2]" 1
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