NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482180 |
1kdx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kdx
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 721
_Distance_constraint_stats_list.Viol_count 471
_Distance_constraint_stats_list.Viol_total 373.857
_Distance_constraint_stats_list.Viol_max 0.206
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0467
_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 2 VAL 0.047 0.044 4 0 "[ . 1 . ]"
1 3 ARG 0.279 0.056 17 0 "[ . 1 . ]"
1 4 LYS 0.733 0.148 15 0 "[ . 1 . ]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 6 TRP 0.603 0.148 15 0 "[ . 1 . ]"
1 7 HIS 0.193 0.053 4 0 "[ . 1 . ]"
1 8 GLU 0.031 0.016 7 0 "[ . 1 . ]"
1 9 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 10 VAL 0.274 0.042 15 0 "[ . 1 . ]"
1 11 THR 0.257 0.042 15 0 "[ . 1 . ]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 15 ARG 0.131 0.031 3 0 "[ . 1 . ]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 17 HIS 0.866 0.155 17 0 "[ . 1 . ]"
1 18 LEU 0.766 0.064 12 0 "[ . 1 . ]"
1 19 VAL 0.616 0.114 15 0 "[ . 1 . ]"
1 20 HIS 2.299 0.155 17 0 "[ . 1 . ]"
1 21 LYS 0.884 0.070 14 0 "[ . 1 . ]"
1 22 LEU 0.722 0.114 15 0 "[ . 1 . ]"
1 23 VAL 0.298 0.038 3 0 "[ . 1 . ]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ALA 0.266 0.038 3 0 "[ . 1 . ]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 28 PRO 0.023 0.023 15 0 "[ . 1 . ]"
1 29 THR 0.173 0.043 4 0 "[ . 1 . ]"
1 30 PRO 1.202 0.090 15 0 "[ . 1 . ]"
1 31 ASP 1.079 0.090 15 0 "[ . 1 . ]"
1 32 PRO 0.052 0.024 12 0 "[ . 1 . ]"
1 33 ALA 0.209 0.079 12 0 "[ . 1 . ]"
1 34 ALA 0.162 0.074 12 0 "[ . 1 . ]"
1 35 LEU 0.397 0.079 12 0 "[ . 1 . ]"
1 36 LYS 0.072 0.072 13 0 "[ . 1 . ]"
1 37 ASP 0.017 0.017 12 0 "[ . 1 . ]"
1 38 ARG 0.020 0.017 12 0 "[ . 1 . ]"
1 39 ARG 0.174 0.087 14 0 "[ . 1 . ]"
1 40 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 41 GLU 1.229 0.093 3 0 "[ . 1 . ]"
1 42 ASN 0.984 0.072 7 0 "[ . 1 . ]"
1 43 LEU 1.164 0.093 3 0 "[ . 1 . ]"
1 44 VAL 0.956 0.075 16 0 "[ . 1 . ]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 48 LYS 0.035 0.035 8 0 "[ . 1 . ]"
1 49 LYS 0.013 0.005 5 0 "[ . 1 . ]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 54 MET 0.009 0.005 15 0 "[ . 1 . ]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 56 GLU 0.209 0.072 14 0 "[ . 1 . ]"
1 57 SER 0.208 0.072 14 0 "[ . 1 . ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 59 ASN 0.092 0.047 14 0 "[ . 1 . ]"
1 60 SER 0.077 0.047 14 0 "[ . 1 . ]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 65 TYR 0.617 0.080 8 0 "[ . 1 . ]"
1 66 HIS 0.023 0.023 17 0 "[ . 1 . ]"
1 67 LEU 0.340 0.073 17 0 "[ . 1 . ]"
1 68 LEU 0.617 0.080 8 0 "[ . 1 . ]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 70 GLU 0.035 0.035 7 0 "[ . 1 . ]"
1 71 LYS 0.279 0.059 13 0 "[ . 1 . ]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 74 LYS 0.319 0.064 16 0 "[ . 1 . ]"
1 75 ILE 3.903 0.206 5 0 "[ . 1 . ]"
1 76 GLN 0.754 0.110 5 0 "[ . 1 . ]"
1 77 LYS 0.030 0.030 5 0 "[ . 1 . ]"
1 78 GLU 3.937 0.206 5 0 "[ . 1 . ]"
1 79 LEU 0.853 0.110 5 0 "[ . 1 . ]"
1 80 GLU 1.007 0.085 5 0 "[ . 1 . ]"
1 81 GLU 0.942 0.085 5 0 "[ . 1 . ]"
2 1 THR 0.661 0.087 2 0 "[ . 1 . ]"
2 2 ASP 1.620 0.087 2 0 "[ . 1 . ]"
2 3 SER 0.878 0.082 7 0 "[ . 1 . ]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 5 LYS 0.111 0.077 10 0 "[ . 1 . ]"
2 6 ARG 0.031 0.031 16 0 "[ . 1 . ]"
2 7 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 9 ILE 0.107 0.047 7 0 "[ . 1 . ]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 12 ARG 0.107 0.047 7 0 "[ . 1 . ]"
2 13 ARG 0.165 0.058 12 0 "[ . 1 . ]"
2 14 PRO 0.165 0.058 12 0 "[ . 1 . ]"
2 16 TYR 0.035 0.035 7 0 "[ . 1 . ]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 19 ILE 0.000 0.000 . 0 "[ . 1 . ]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 23 LEU 1.719 0.194 5 0 "[ . 1 . ]"
2 24 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 25 SER 1.005 0.084 5 0 "[ . 1 . ]"
2 26 ASP 3.519 0.194 5 0 "[ . 1 . ]"
2 27 ALA 1.006 0.089 1 0 "[ . 1 . ]"
2 28 PRO 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 2 VAL HA 1 3 ARG H . . 3.500 2.980 2.347 3.544 0.044 4 0 "[ . 1 . ]" 1
2 1 2 VAL HB 1 3 ARG H . . 4.500 2.228 1.851 4.129 . 0 0 "[ . 1 . ]" 1
3 1 2 VAL HB 1 3 ARG QB . . 4.000 3.860 3.492 4.001 0.001 8 0 "[ . 1 . ]" 1
4 1 3 ARG H 1 3 ARG QB . . 3.500 2.459 2.102 3.366 . 0 0 "[ . 1 . ]" 1
5 1 3 ARG H 1 3 ARG QD . . 5.500 3.984 2.025 4.854 . 0 0 "[ . 1 . ]" 1
6 1 3 ARG H 1 3 ARG QG . . 4.500 3.093 2.241 4.007 . 0 0 "[ . 1 . ]" 1
7 1 3 ARG H 1 4 LYS H . . 5.500 3.765 2.981 4.415 . 0 0 "[ . 1 . ]" 1
8 1 3 ARG HA 1 3 ARG QD . . 5.000 4.005 2.295 4.577 . 0 0 "[ . 1 . ]" 1
9 1 3 ARG HA 1 3 ARG QG . . 4.000 2.724 2.197 3.441 . 0 0 "[ . 1 . ]" 1
10 1 3 ARG HA 1 4 LYS H . . 3.500 2.656 2.157 3.556 0.056 17 0 "[ . 1 . ]" 1
11 1 3 ARG HA 1 4 LYS QG . . 5.000 4.063 3.053 4.878 . 0 0 "[ . 1 . ]" 1
12 1 3 ARG QB 1 4 LYS H . . 4.500 3.322 1.855 4.037 . 0 0 "[ . 1 . ]" 1
13 1 3 ARG QD 1 7 HIS HA . . 4.000 3.997 3.950 4.053 0.053 4 0 "[ . 1 . ]" 1
14 1 3 ARG QD 1 7 HIS QB . . 5.000 2.716 2.045 3.949 . 0 0 "[ . 1 . ]" 1
15 1 4 LYS H 1 4 LYS QD . . 5.500 3.405 1.984 4.495 . 0 0 "[ . 1 . ]" 1
16 1 4 LYS H 1 5 GLY H . . 5.500 3.550 2.780 4.622 . 0 0 "[ . 1 . ]" 1
17 1 4 LYS HA 1 4 LYS QD . . 4.000 3.524 2.270 4.044 0.044 10 0 "[ . 1 . ]" 1
18 1 4 LYS HA 1 4 LYS QE . . 5.000 3.529 2.006 4.836 . 0 0 "[ . 1 . ]" 1
19 1 4 LYS HA 1 4 LYS QG . . 4.000 2.595 2.169 3.186 . 0 0 "[ . 1 . ]" 1
20 1 4 LYS HA 1 5 GLY H . . 4.500 2.561 2.114 3.239 . 0 0 "[ . 1 . ]" 1
21 1 4 LYS HA 1 6 TRP H . . 4.500 4.491 4.083 4.648 0.148 15 0 "[ . 1 . ]" 1
22 1 4 LYS QB 1 6 TRP HD1 . . 5.000 2.443 2.112 2.880 . 0 0 "[ . 1 . ]" 1
23 1 4 LYS QD 1 6 TRP HD1 . . 5.000 4.488 3.754 4.995 . 0 0 "[ . 1 . ]" 1
24 1 4 LYS QD 1 59 ASN HA . . 4.000 3.116 2.288 3.938 . 0 0 "[ . 1 . ]" 1
25 1 4 LYS QE 1 56 GLU HA . . 5.000 4.073 2.439 4.982 . 0 0 "[ . 1 . ]" 1
26 1 4 LYS QE 1 59 ASN HA . . 5.000 4.568 2.494 5.015 0.015 14 0 "[ . 1 . ]" 1
27 1 4 LYS QG 1 6 TRP HD1 . . 5.000 4.291 3.191 4.897 . 0 0 "[ . 1 . ]" 1
28 1 5 GLY H 1 6 TRP H . . 5.500 3.562 2.870 3.849 . 0 0 "[ . 1 . ]" 1
29 1 5 GLY QA 1 6 TRP H . . 3.500 2.579 2.402 2.831 . 0 0 "[ . 1 . ]" 1
30 1 5 GLY QA 1 8 GLU QG . . 5.000 4.027 2.214 4.535 . 0 0 "[ . 1 . ]" 1
31 1 6 TRP H 1 7 HIS H . . 5.500 2.845 1.772 3.043 . 0 0 "[ . 1 . ]" 1
32 1 6 TRP H 1 7 HIS QB . . 5.500 4.557 3.301 5.067 . 0 0 "[ . 1 . ]" 1
33 1 6 TRP HA 1 6 TRP HD1 . . 5.000 4.498 4.324 4.667 . 0 0 "[ . 1 . ]" 1
34 1 6 TRP HA 1 7 HIS H . . 4.500 3.475 3.385 3.556 . 0 0 "[ . 1 . ]" 1
35 1 6 TRP HA 1 8 GLU H . . 4.500 4.125 3.637 4.516 0.016 7 0 "[ . 1 . ]" 1
36 1 6 TRP HA 1 9 HIS H . . 4.500 3.580 2.959 4.045 . 0 0 "[ . 1 . ]" 1
37 1 6 TRP HA 1 9 HIS HD2 . . 5.000 2.593 2.223 4.070 . 0 0 "[ . 1 . ]" 1
38 1 6 TRP QB 1 7 HIS H . . 4.500 3.704 3.482 3.976 . 0 0 "[ . 1 . ]" 1
39 1 6 TRP QB 1 8 GLU H . . 5.500 5.193 4.868 5.398 . 0 0 "[ . 1 . ]" 1
40 1 6 TRP QB 1 60 SER HA . . 4.000 2.786 2.330 3.818 . 0 0 "[ . 1 . ]" 1
41 1 6 TRP QB 1 61 ARG H . . 4.500 2.747 2.309 3.675 . 0 0 "[ . 1 . ]" 1
42 1 6 TRP HD1 1 59 ASN HA . . 5.000 3.718 3.321 4.047 . 0 0 "[ . 1 . ]" 1
43 1 6 TRP HD1 1 60 SER HA . . 5.000 2.776 2.512 3.499 . 0 0 "[ . 1 . ]" 1
44 1 6 TRP HE3 1 7 HIS HA . . 5.000 3.613 3.081 4.716 . 0 0 "[ . 1 . ]" 1
45 1 6 TRP HE3 1 10 VAL HB . . 5.000 3.256 2.557 4.723 . 0 0 "[ . 1 . ]" 1
46 1 6 TRP HE3 1 10 VAL MG2 . . 5.000 2.269 2.092 2.563 . 0 0 "[ . 1 . ]" 1
47 1 6 TRP HE3 1 61 ARG HA . . 5.000 3.455 2.868 3.974 . 0 0 "[ . 1 . ]" 1
48 1 6 TRP HE3 1 61 ARG QB . . 5.000 3.026 2.288 4.467 . 0 0 "[ . 1 . ]" 1
49 1 6 TRP HE3 1 61 ARG QG . . 5.000 3.492 2.149 4.206 . 0 0 "[ . 1 . ]" 1
50 1 6 TRP HH2 1 55 TYR HA . . 4.000 2.307 2.104 2.486 . 0 0 "[ . 1 . ]" 1
51 1 6 TRP HH2 1 58 ALA MB . . 5.000 3.497 2.990 4.022 . 0 0 "[ . 1 . ]" 1
52 1 6 TRP HH2 1 64 TYR QB . . 5.000 2.797 2.400 3.184 . 0 0 "[ . 1 . ]" 1
53 1 6 TRP HZ2 1 55 TYR HA . . 5.000 2.707 2.369 3.542 . 0 0 "[ . 1 . ]" 1
54 1 6 TRP HZ2 1 58 ALA MB . . 5.000 2.296 2.151 2.678 . 0 0 "[ . 1 . ]" 1
55 1 6 TRP HZ3 1 10 VAL HB . . 5.000 2.832 2.250 4.788 . 0 0 "[ . 1 . ]" 1
56 1 6 TRP HZ3 1 10 VAL MG1 . . 5.000 2.626 2.194 3.718 . 0 0 "[ . 1 . ]" 1
57 1 6 TRP HZ3 1 10 VAL MG2 . . 5.000 2.217 2.109 2.548 . 0 0 "[ . 1 . ]" 1
58 1 6 TRP HZ3 1 61 ARG HA . . 5.000 3.626 2.860 4.411 . 0 0 "[ . 1 . ]" 1
59 1 7 HIS H 1 8 GLU H . . 4.500 3.078 2.796 3.250 . 0 0 "[ . 1 . ]" 1
60 1 7 HIS HA 1 8 GLU H . . 4.500 3.583 3.525 3.618 . 0 0 "[ . 1 . ]" 1
61 1 7 HIS HA 1 10 VAL H . . 4.500 3.772 3.309 4.517 0.017 13 0 "[ . 1 . ]" 1
62 1 7 HIS HA 1 10 VAL HB . . 4.000 3.382 2.709 3.931 . 0 0 "[ . 1 . ]" 1
63 1 7 HIS HA 1 10 VAL MG2 . . 5.000 4.152 2.551 4.670 . 0 0 "[ . 1 . ]" 1
64 1 7 HIS QB 1 8 GLU H . . 4.500 2.601 2.213 3.459 . 0 0 "[ . 1 . ]" 1
65 1 7 HIS QB 1 8 GLU QG . . 5.000 4.206 3.163 4.751 . 0 0 "[ . 1 . ]" 1
66 1 8 GLU H 1 8 GLU QB . . 3.500 2.626 2.325 2.991 . 0 0 "[ . 1 . ]" 1
67 1 8 GLU H 1 8 GLU QG . . 4.500 2.142 1.902 2.673 . 0 0 "[ . 1 . ]" 1
68 1 8 GLU H 1 9 HIS H . . 4.500 2.867 2.626 2.976 . 0 0 "[ . 1 . ]" 1
69 1 8 GLU HA 1 9 HIS H . . 4.500 3.527 3.490 3.564 . 0 0 "[ . 1 . ]" 1
70 1 8 GLU HA 1 9 HIS HA . . 5.000 4.715 4.605 4.770 . 0 0 "[ . 1 . ]" 1
71 1 8 GLU HA 1 10 VAL H . . 5.500 4.087 3.536 5.088 . 0 0 "[ . 1 . ]" 1
72 1 8 GLU QB 1 9 HIS H . . 4.500 3.630 3.474 3.760 . 0 0 "[ . 1 . ]" 1
73 1 8 GLU QB 1 9 HIS HD2 . . 5.000 4.509 3.663 4.904 . 0 0 "[ . 1 . ]" 1
74 1 8 GLU QB 1 10 VAL H . . 5.500 5.037 4.692 5.388 . 0 0 "[ . 1 . ]" 1
75 1 8 GLU QG 1 9 HIS H . . 5.500 2.595 2.193 3.053 . 0 0 "[ . 1 . ]" 1
76 1 8 GLU QG 1 9 HIS HA . . 5.000 4.064 3.436 4.875 . 0 0 "[ . 1 . ]" 1
77 1 8 GLU QG 1 9 HIS HD2 . . 5.000 2.594 2.189 2.821 . 0 0 "[ . 1 . ]" 1
78 1 9 HIS H 1 10 VAL MG2 . . 5.500 3.947 3.193 4.383 . 0 0 "[ . 1 . ]" 1
79 1 9 HIS HA 1 9 HIS HD2 . . 5.000 4.081 2.579 4.608 . 0 0 "[ . 1 . ]" 1
80 1 9 HIS HA 1 10 VAL H . . 4.500 3.426 2.663 3.598 . 0 0 "[ . 1 . ]" 1
81 1 9 HIS HA 1 11 THR MG . . 5.000 3.922 3.305 4.786 . 0 0 "[ . 1 . ]" 1
82 1 9 HIS QB 1 10 VAL H . . 5.500 3.082 2.257 4.057 . 0 0 "[ . 1 . ]" 1
83 1 9 HIS QB 1 10 VAL MG2 . . 5.000 2.899 2.600 4.389 . 0 0 "[ . 1 . ]" 1
84 1 10 VAL H 1 10 VAL HB . . 3.500 2.601 2.294 2.822 . 0 0 "[ . 1 . ]" 1
85 1 10 VAL H 1 10 VAL MG1 . . 4.500 3.859 3.743 3.965 . 0 0 "[ . 1 . ]" 1
86 1 10 VAL H 1 10 VAL MG2 . . 4.500 2.696 2.175 3.055 . 0 0 "[ . 1 . ]" 1
87 1 10 VAL HA 1 11 THR H . . 3.500 2.198 2.057 2.331 . 0 0 "[ . 1 . ]" 1
88 1 10 VAL HA 1 11 THR MG . . 4.000 3.823 3.361 3.928 . 0 0 "[ . 1 . ]" 1
89 1 10 VAL HA 1 14 LEU QB . . 5.000 3.056 2.722 3.675 . 0 0 "[ . 1 . ]" 1
90 1 10 VAL HB 1 11 THR H . . 4.500 4.442 3.835 4.542 0.042 15 0 "[ . 1 . ]" 1
91 1 10 VAL MG1 1 11 THR H . . 4.500 3.453 2.061 3.823 . 0 0 "[ . 1 . ]" 1
92 1 10 VAL MG1 1 14 LEU QB . . 5.000 2.630 2.162 3.355 . 0 0 "[ . 1 . ]" 1
93 1 10 VAL MG1 1 14 LEU HG . . 5.000 2.707 2.244 4.078 . 0 0 "[ . 1 . ]" 1
94 1 10 VAL MG1 1 15 ARG H . . 5.500 3.307 3.025 3.676 . 0 0 "[ . 1 . ]" 1
95 1 10 VAL MG1 1 15 ARG QB . . 5.000 3.953 3.744 4.307 . 0 0 "[ . 1 . ]" 1
96 1 10 VAL MG1 1 15 ARG QD . . 5.000 3.301 2.337 3.911 . 0 0 "[ . 1 . ]" 1
97 1 10 VAL MG1 1 15 ARG QG . . 4.000 2.128 1.995 2.407 . 0 0 "[ . 1 . ]" 1
98 1 10 VAL MG1 1 61 ARG QD . . 5.000 4.233 3.775 4.618 . 0 0 "[ . 1 . ]" 1
99 1 10 VAL MG2 1 11 THR H . . 5.500 4.133 3.815 4.249 . 0 0 "[ . 1 . ]" 1
100 1 10 VAL MG2 1 61 ARG QD . . 5.000 2.302 1.930 3.277 . 0 0 "[ . 1 . ]" 1
101 1 11 THR H 1 11 THR MG . . 4.500 2.328 1.993 2.990 . 0 0 "[ . 1 . ]" 1
102 1 11 THR H 1 12 GLN H . . 5.500 4.569 4.379 4.680 . 0 0 "[ . 1 . ]" 1
103 1 11 THR H 1 14 LEU QB . . 4.500 2.919 2.007 3.944 . 0 0 "[ . 1 . ]" 1
104 1 11 THR HA 1 11 THR HB . . 3.000 2.539 2.432 2.619 . 0 0 "[ . 1 . ]" 1
105 1 11 THR HB 1 12 GLN H . . 4.500 2.610 2.471 2.845 . 0 0 "[ . 1 . ]" 1
106 1 11 THR HB 1 13 ASP H . . 4.500 2.982 2.557 3.455 . 0 0 "[ . 1 . ]" 1
107 1 11 THR MG 1 12 GLN H . . 5.500 3.691 3.485 3.931 . 0 0 "[ . 1 . ]" 1
108 1 11 THR MG 1 13 ASP H . . 5.500 4.522 4.123 4.944 . 0 0 "[ . 1 . ]" 1
109 1 12 GLN H 1 13 ASP H . . 4.500 2.948 2.579 3.240 . 0 0 "[ . 1 . ]" 1
110 1 12 GLN HA 1 12 GLN QG . . 4.000 2.886 2.370 3.502 . 0 0 "[ . 1 . ]" 1
111 1 12 GLN HA 1 13 ASP H . . 4.500 3.570 3.500 3.611 . 0 0 "[ . 1 . ]" 1
112 1 12 GLN HA 1 15 ARG H . . 4.500 3.387 3.161 3.731 . 0 0 "[ . 1 . ]" 1
113 1 12 GLN HA 1 15 ARG QB . . 4.000 2.420 2.163 2.700 . 0 0 "[ . 1 . ]" 1
114 1 12 GLN HA 1 15 ARG QD . . 5.000 2.904 2.281 3.974 . 0 0 "[ . 1 . ]" 1
115 1 12 GLN HA 1 15 ARG QG . . 4.000 3.112 2.385 3.608 . 0 0 "[ . 1 . ]" 1
116 1 12 GLN QB 1 13 ASP H . . 4.500 2.853 2.335 3.566 . 0 0 "[ . 1 . ]" 1
117 1 12 GLN QG 1 13 ASP H . . 4.500 3.825 2.348 4.270 . 0 0 "[ . 1 . ]" 1
118 1 12 GLN QG 1 13 ASP HA . . 5.000 4.071 3.413 4.992 . 0 0 "[ . 1 . ]" 1
119 1 13 ASP H 1 14 LEU H . . 4.500 2.743 2.624 2.802 . 0 0 "[ . 1 . ]" 1
120 1 13 ASP H 1 14 LEU QB . . 4.500 4.439 4.240 4.498 . 0 0 "[ . 1 . ]" 1
121 1 13 ASP HA 1 14 LEU H . . 4.500 3.591 3.574 3.620 . 0 0 "[ . 1 . ]" 1
122 1 13 ASP HA 1 16 SER H . . 4.500 3.648 3.467 3.814 . 0 0 "[ . 1 . ]" 1
123 1 13 ASP HA 1 16 SER QB . . 4.000 2.950 2.728 3.940 . 0 0 "[ . 1 . ]" 1
124 1 13 ASP HA 1 17 HIS H . . 5.500 4.082 3.895 4.271 . 0 0 "[ . 1 . ]" 1
125 1 13 ASP QB 1 14 LEU H . . 4.500 2.678 2.237 3.467 . 0 0 "[ . 1 . ]" 1
126 1 14 LEU H 1 15 ARG H . . 4.500 2.707 2.587 2.881 . 0 0 "[ . 1 . ]" 1
127 1 14 LEU HA 1 14 LEU HG . . 4.000 3.217 2.632 3.816 . 0 0 "[ . 1 . ]" 1
128 1 14 LEU HA 1 15 ARG H . . 4.500 3.596 3.549 3.621 . 0 0 "[ . 1 . ]" 1
129 1 14 LEU HA 1 17 HIS H . . 4.500 3.392 3.293 3.734 . 0 0 "[ . 1 . ]" 1
130 1 14 LEU HA 1 17 HIS QB . . 4.000 2.643 2.461 2.937 . 0 0 "[ . 1 . ]" 1
131 1 14 LEU HA 2 27 ALA MB . . 5.500 4.380 3.221 5.190 . 0 0 "[ . 1 . ]" 1
132 1 14 LEU HA 2 28 PRO QD . . 5.500 3.331 2.471 3.876 . 0 0 "[ . 1 . ]" 1
133 1 15 ARG H 1 16 SER H . . 4.500 2.863 2.735 3.010 . 0 0 "[ . 1 . ]" 1
134 1 15 ARG HA 1 15 ARG QD . . 4.000 3.967 3.870 4.031 0.031 3 0 "[ . 1 . ]" 1
135 1 15 ARG HA 1 15 ARG QG . . 4.000 2.309 2.179 2.494 . 0 0 "[ . 1 . ]" 1
136 1 15 ARG HA 1 18 LEU QB . . 4.000 2.749 2.596 2.925 . 0 0 "[ . 1 . ]" 1
137 1 15 ARG QB 1 16 SER H . . 4.500 2.396 2.246 2.514 . 0 0 "[ . 1 . ]" 1
138 1 15 ARG QG 1 16 SER H . . 5.500 4.010 3.702 4.211 . 0 0 "[ . 1 . ]" 1
139 1 16 SER H 1 17 HIS H . . 4.500 2.851 2.762 2.932 . 0 0 "[ . 1 . ]" 1
140 1 16 SER HA 1 17 HIS H . . 4.500 3.619 3.593 3.643 . 0 0 "[ . 1 . ]" 1
141 1 16 SER HA 1 19 VAL H . . 4.500 3.406 3.264 3.562 . 0 0 "[ . 1 . ]" 1
142 1 16 SER HA 1 19 VAL HB . . 3.000 2.597 2.443 2.752 . 0 0 "[ . 1 . ]" 1
143 1 16 SER HA 1 19 VAL MG1 . . 5.000 3.931 3.772 4.094 . 0 0 "[ . 1 . ]" 1
144 1 16 SER HA 1 19 VAL MG2 . . 4.000 3.054 2.878 3.301 . 0 0 "[ . 1 . ]" 1
145 1 16 SER HA 1 20 HIS H . . 4.500 4.060 3.970 4.132 . 0 0 "[ . 1 . ]" 1
146 1 16 SER QB 1 17 HIS H . . 4.500 2.625 2.447 3.508 . 0 0 "[ . 1 . ]" 1
147 1 17 HIS H 1 17 HIS QB . . 3.500 2.241 2.143 2.272 . 0 0 "[ . 1 . ]" 1
148 1 17 HIS H 1 18 LEU H . . 4.500 2.816 2.767 2.859 . 0 0 "[ . 1 . ]" 1
149 1 17 HIS HA 1 17 HIS HD2 . . 5.000 3.876 3.552 4.843 . 0 0 "[ . 1 . ]" 1
150 1 17 HIS HA 1 18 LEU H . . 4.500 3.620 3.602 3.651 . 0 0 "[ . 1 . ]" 1
151 1 17 HIS HA 1 20 HIS H . . 4.500 3.347 3.161 3.526 . 0 0 "[ . 1 . ]" 1
152 1 17 HIS HA 1 20 HIS QB . . 4.000 2.592 2.308 2.835 . 0 0 "[ . 1 . ]" 1
153 1 17 HIS HA 1 20 HIS HD2 . . 5.000 4.906 3.925 5.155 0.155 17 0 "[ . 1 . ]" 1
154 1 17 HIS QB 1 18 LEU H . . 4.500 2.619 2.416 3.352 . 0 0 "[ . 1 . ]" 1
155 1 17 HIS HD2 1 18 LEU HA . . 5.000 3.127 2.883 4.798 . 0 0 "[ . 1 . ]" 1
156 1 17 HIS HD2 1 18 LEU QB . . 5.000 4.672 4.272 4.928 . 0 0 "[ . 1 . ]" 1
157 1 17 HIS HD2 1 18 LEU HG . . 4.000 3.539 2.709 4.038 0.038 12 0 "[ . 1 . ]" 1
158 1 17 HIS HD2 2 27 ALA MB . . 5.500 2.798 2.130 4.293 . 0 0 "[ . 1 . ]" 1
159 1 18 LEU H 1 18 LEU HG . . 3.500 2.291 2.264 2.357 . 0 0 "[ . 1 . ]" 1
160 1 18 LEU H 1 19 VAL H . . 4.500 2.784 2.704 2.850 . 0 0 "[ . 1 . ]" 1
161 1 18 LEU HA 1 18 LEU HG . . 3.000 2.844 2.773 3.064 0.064 12 0 "[ . 1 . ]" 1
162 1 18 LEU HA 1 20 HIS H . . 4.500 4.385 4.275 4.509 0.009 2 0 "[ . 1 . ]" 1
163 1 18 LEU HA 2 23 LEU HG . . 5.500 5.326 4.724 5.527 0.027 2 0 "[ . 1 . ]" 1
164 1 18 LEU HG 1 19 VAL H . . 4.500 4.528 4.508 4.553 0.053 12 0 "[ . 1 . ]" 1
165 1 19 VAL H 1 19 VAL MG1 . . 4.500 3.813 3.783 3.843 . 0 0 "[ . 1 . ]" 1
166 1 19 VAL H 1 19 VAL MG2 . . 4.500 2.291 2.232 2.419 . 0 0 "[ . 1 . ]" 1
167 1 19 VAL H 1 20 HIS H . . 4.500 2.758 2.675 2.845 . 0 0 "[ . 1 . ]" 1
168 1 19 VAL HA 1 22 LEU H . . 4.500 3.451 3.329 3.596 . 0 0 "[ . 1 . ]" 1
169 1 19 VAL HA 1 22 LEU QB . . 4.000 2.703 2.291 2.926 . 0 0 "[ . 1 . ]" 1
170 1 19 VAL HA 1 22 LEU HG . . 4.000 3.645 3.326 4.114 0.114 15 0 "[ . 1 . ]" 1
171 1 19 VAL HA 1 47 ALA MB . . 4.000 2.942 2.398 3.330 . 0 0 "[ . 1 . ]" 1
172 1 19 VAL HB 1 20 HIS H . . 4.500 2.626 2.529 2.709 . 0 0 "[ . 1 . ]" 1
173 1 19 VAL MG1 1 20 HIS H . . 4.500 3.293 3.170 3.423 . 0 0 "[ . 1 . ]" 1
174 1 19 VAL MG1 1 20 HIS HA . . 5.000 3.386 3.280 3.524 . 0 0 "[ . 1 . ]" 1
175 1 19 VAL MG1 1 44 VAL HA . . 4.000 3.586 3.108 3.891 . 0 0 "[ . 1 . ]" 1
176 1 19 VAL MG1 1 47 ALA MB . . 4.000 2.261 2.067 2.539 . 0 0 "[ . 1 . ]" 1
177 1 19 VAL MG1 1 48 LYS H . . 5.500 3.159 2.902 3.407 . 0 0 "[ . 1 . ]" 1
178 1 19 VAL MG1 1 48 LYS HA . . 4.000 3.122 2.935 3.309 . 0 0 "[ . 1 . ]" 1
179 1 19 VAL MG1 1 48 LYS QB . . 5.000 3.770 3.691 3.874 . 0 0 "[ . 1 . ]" 1
180 1 19 VAL MG1 1 48 LYS QD . . 5.000 2.993 2.811 3.191 . 0 0 "[ . 1 . ]" 1
181 1 19 VAL MG1 1 48 LYS QE . . 5.000 3.809 3.792 3.825 . 0 0 "[ . 1 . ]" 1
182 1 19 VAL MG1 1 48 LYS QG . . 4.000 2.026 1.976 2.114 . 0 0 "[ . 1 . ]" 1
183 1 19 VAL MG2 1 20 HIS H . . 5.500 3.972 3.887 4.031 . 0 0 "[ . 1 . ]" 1
184 1 19 VAL MG2 1 48 LYS H . . 5.500 4.012 3.760 4.218 . 0 0 "[ . 1 . ]" 1
185 1 19 VAL MG2 1 48 LYS HA . . 4.000 2.328 2.177 2.482 . 0 0 "[ . 1 . ]" 1
186 1 19 VAL MG2 1 48 LYS QB . . 5.000 3.721 3.640 3.791 . 0 0 "[ . 1 . ]" 1
187 1 19 VAL MG2 1 48 LYS QD . . 5.000 3.677 3.492 4.115 . 0 0 "[ . 1 . ]" 1
188 1 19 VAL MG2 1 48 LYS QG . . 5.000 2.259 2.178 2.440 . 0 0 "[ . 1 . ]" 1
189 1 19 VAL MG2 1 51 GLU H . . 5.500 3.985 3.636 4.328 . 0 0 "[ . 1 . ]" 1
190 1 19 VAL MG2 1 51 GLU QB . . 4.000 2.285 2.073 2.557 . 0 0 "[ . 1 . ]" 1
191 1 19 VAL MG2 1 51 GLU QG . . 5.000 2.329 2.080 3.603 . 0 0 "[ . 1 . ]" 1
192 1 20 HIS H 1 21 LYS H . . 3.500 2.786 2.714 2.849 . 0 0 "[ . 1 . ]" 1
193 1 20 HIS HA 1 20 HIS HD2 . . 5.000 3.959 2.351 4.813 . 0 0 "[ . 1 . ]" 1
194 1 20 HIS HA 1 21 LYS H . . 3.500 3.552 3.540 3.570 0.070 14 0 "[ . 1 . ]" 1
195 1 20 HIS HA 1 22 LEU H . . 4.500 4.534 4.481 4.556 0.056 9 0 "[ . 1 . ]" 1
196 1 20 HIS HA 1 23 VAL H . . 4.500 3.466 3.301 3.577 . 0 0 "[ . 1 . ]" 1
197 1 20 HIS HA 1 23 VAL HB . . 3.000 2.613 2.396 3.032 0.032 16 0 "[ . 1 . ]" 1
198 1 20 HIS HA 1 23 VAL MG1 . . 5.000 3.997 3.782 4.421 . 0 0 "[ . 1 . ]" 1
199 1 20 HIS HA 1 23 VAL MG2 . . 4.000 3.250 2.940 3.565 . 0 0 "[ . 1 . ]" 1
200 1 20 HIS HA 1 24 GLN H . . 4.500 3.877 3.701 4.069 . 0 0 "[ . 1 . ]" 1
201 1 20 HIS QB 1 21 LYS H . . 4.500 2.548 2.342 2.689 . 0 0 "[ . 1 . ]" 1
202 1 20 HIS QB 1 21 LYS QG . . 5.000 4.349 3.329 4.776 . 0 0 "[ . 1 . ]" 1
203 1 20 HIS HD2 1 24 GLN QG . . 5.000 4.471 2.578 4.983 . 0 0 "[ . 1 . ]" 1
204 1 21 LYS H 1 21 LYS QB . . 3.500 2.172 2.047 2.519 . 0 0 "[ . 1 . ]" 1
205 1 21 LYS H 1 21 LYS QG . . 4.500 3.268 2.178 3.761 . 0 0 "[ . 1 . ]" 1
206 1 21 LYS H 1 22 LEU H . . 3.500 2.831 2.736 2.997 . 0 0 "[ . 1 . ]" 1
207 1 21 LYS HA 1 21 LYS QD . . 3.000 2.459 2.175 2.768 . 0 0 "[ . 1 . ]" 1
208 1 21 LYS HA 1 21 LYS QG . . 4.000 2.414 2.239 2.915 . 0 0 "[ . 1 . ]" 1
209 1 21 LYS HA 1 24 GLN QB . . 4.000 2.610 2.231 2.970 . 0 0 "[ . 1 . ]" 1
210 1 21 LYS HA 1 24 GLN QG . . 4.000 3.492 2.706 3.947 . 0 0 "[ . 1 . ]" 1
211 1 21 LYS QB 1 72 ILE MD . . 4.000 3.029 2.238 3.769 . 0 0 "[ . 1 . ]" 1
212 1 21 LYS QD 2 23 LEU HA . . 4.000 3.851 3.425 3.969 . 0 0 "[ . 1 . ]" 1
213 1 21 LYS QE 2 22 ASP HA . . 5.500 5.122 4.527 5.376 . 0 0 "[ . 1 . ]" 1
214 1 21 LYS QE 2 23 LEU HA . . 4.000 2.541 2.231 3.104 . 0 0 "[ . 1 . ]" 1
215 1 21 LYS QE 2 23 LEU QB . . 5.500 3.637 2.920 4.665 . 0 0 "[ . 1 . ]" 1
216 1 21 LYS QE 2 23 LEU HG . . 5.500 4.681 3.283 5.296 . 0 0 "[ . 1 . ]" 1
217 1 21 LYS QG 1 22 LEU H . . 5.500 4.418 4.048 4.600 . 0 0 "[ . 1 . ]" 1
218 1 21 LYS QG 2 23 LEU HA . . 5.500 3.400 2.947 4.072 . 0 0 "[ . 1 . ]" 1
219 1 22 LEU H 1 23 VAL H . . 3.500 2.800 2.715 2.886 . 0 0 "[ . 1 . ]" 1
220 1 22 LEU H 1 23 VAL HB . . 5.500 4.891 4.736 5.114 . 0 0 "[ . 1 . ]" 1
221 1 22 LEU H 1 23 VAL MG2 . . 5.500 4.411 4.313 4.587 . 0 0 "[ . 1 . ]" 1
222 1 22 LEU H 1 72 ILE MD . . 5.500 4.055 3.739 4.235 . 0 0 "[ . 1 . ]" 1
223 1 22 LEU HA 1 23 VAL H . . 4.500 3.600 3.578 3.616 . 0 0 "[ . 1 . ]" 1
224 1 22 LEU HA 1 25 ALA MB . . 4.000 2.769 2.617 3.159 . 0 0 "[ . 1 . ]" 1
225 1 22 LEU HA 1 72 ILE MD . . 5.000 3.029 2.290 3.284 . 0 0 "[ . 1 . ]" 1
226 1 22 LEU QB 1 23 VAL H . . 3.500 2.423 2.289 2.642 . 0 0 "[ . 1 . ]" 1
227 1 22 LEU QB 1 23 VAL MG2 . . 4.000 3.149 2.979 3.430 . 0 0 "[ . 1 . ]" 1
228 1 22 LEU QB 1 47 ALA HA . . 5.000 3.318 2.872 4.683 . 0 0 "[ . 1 . ]" 1
229 1 22 LEU QB 1 47 ALA MB . . 4.000 2.215 2.079 3.020 . 0 0 "[ . 1 . ]" 1
230 1 22 LEU QB 1 72 ILE MD . . 5.000 4.430 3.054 4.623 . 0 0 "[ . 1 . ]" 1
231 1 22 LEU HG 1 72 ILE MD . . 5.000 3.743 3.280 4.801 . 0 0 "[ . 1 . ]" 1
232 1 23 VAL H 1 23 VAL HB . . 3.500 2.466 2.368 2.530 . 0 0 "[ . 1 . ]" 1
233 1 23 VAL H 1 24 GLN H . . 3.500 2.885 2.648 3.057 . 0 0 "[ . 1 . ]" 1
234 1 23 VAL HA 1 24 GLN H . . 4.500 3.602 3.543 3.635 . 0 0 "[ . 1 . ]" 1
235 1 23 VAL HA 1 25 ALA H . . 4.500 4.494 4.354 4.538 0.038 3 0 "[ . 1 . ]" 1
236 1 23 VAL HA 1 26 ILE H . . 5.500 3.563 3.321 3.871 . 0 0 "[ . 1 . ]" 1
237 1 23 VAL HA 1 26 ILE HB . . 4.000 2.901 2.429 3.813 . 0 0 "[ . 1 . ]" 1
238 1 23 VAL HA 1 26 ILE MG . . 5.000 4.205 3.785 4.790 . 0 0 "[ . 1 . ]" 1
239 1 23 VAL HB 1 24 GLN H . . 3.500 2.576 2.250 2.790 . 0 0 "[ . 1 . ]" 1
240 1 23 VAL MG1 1 24 GLN H . . 4.500 3.205 2.993 3.420 . 0 0 "[ . 1 . ]" 1
241 1 23 VAL MG1 1 24 GLN HA . . 5.000 3.381 3.196 3.571 . 0 0 "[ . 1 . ]" 1
242 1 23 VAL MG1 1 24 GLN QG . . 5.000 3.660 3.188 4.199 . 0 0 "[ . 1 . ]" 1
243 1 23 VAL MG1 1 27 PHE QB . . 5.000 3.133 2.235 3.526 . 0 0 "[ . 1 . ]" 1
244 1 23 VAL MG1 1 40 MET ME . . 4.000 2.408 1.923 3.274 . 0 0 "[ . 1 . ]" 1
245 1 23 VAL MG1 1 43 LEU QB . . 5.000 3.343 2.189 4.648 . 0 0 "[ . 1 . ]" 1
246 1 23 VAL MG1 1 47 ALA MB . . 5.000 4.034 3.870 4.273 . 0 0 "[ . 1 . ]" 1
247 1 23 VAL MG2 1 44 VAL HA . . 4.000 2.135 2.066 2.241 . 0 0 "[ . 1 . ]" 1
248 1 24 GLN H 1 24 GLN QG . . 4.500 2.294 2.127 2.404 . 0 0 "[ . 1 . ]" 1
249 1 24 GLN H 1 25 ALA H . . 4.500 2.859 2.787 2.999 . 0 0 "[ . 1 . ]" 1
250 1 24 GLN HA 1 24 GLN QG . . 4.000 2.616 2.284 3.098 . 0 0 "[ . 1 . ]" 1
251 1 24 GLN HA 1 28 PRO HA . . 4.000 2.612 2.246 3.607 . 0 0 "[ . 1 . ]" 1
252 1 24 GLN QB 1 25 ALA H . . 4.500 2.571 2.405 2.773 . 0 0 "[ . 1 . ]" 1
253 1 24 GLN QB 1 25 ALA HA . . 4.000 3.898 3.791 3.947 . 0 0 "[ . 1 . ]" 1
254 1 24 GLN QB 1 28 PRO HA . . 5.000 3.366 2.863 4.365 . 0 0 "[ . 1 . ]" 1
255 1 25 ALA HA 1 26 ILE H . . 4.500 3.568 3.515 3.590 . 0 0 "[ . 1 . ]" 1
256 1 25 ALA MB 1 26 ILE H . . 4.500 2.587 2.366 2.906 . 0 0 "[ . 1 . ]" 1
257 1 25 ALA MB 1 26 ILE HA . . 5.000 3.942 3.818 4.198 . 0 0 "[ . 1 . ]" 1
258 1 25 ALA MB 1 26 ILE HB . . 5.000 4.420 3.962 4.747 . 0 0 "[ . 1 . ]" 1
259 1 25 ALA MB 1 72 ILE HA . . 5.000 3.213 2.502 3.807 . 0 0 "[ . 1 . ]" 1
260 1 25 ALA MB 1 72 ILE MD . . 5.000 2.666 2.265 3.028 . 0 0 "[ . 1 . ]" 1
261 1 25 ALA MB 1 75 ILE HB . . 5.000 4.259 3.392 4.811 . 0 0 "[ . 1 . ]" 1
262 1 25 ALA MB 1 76 GLN QG . . 5.000 3.542 2.676 4.602 . 0 0 "[ . 1 . ]" 1
263 1 25 ALA MB 2 19 ILE MD . . 5.500 4.814 4.605 4.899 . 0 0 "[ . 1 . ]" 1
264 1 25 ALA MB 2 19 ILE MG . . 5.500 4.342 4.046 4.623 . 0 0 "[ . 1 . ]" 1
265 1 26 ILE H 1 26 ILE MD . . 4.500 3.427 3.216 4.162 . 0 0 "[ . 1 . ]" 1
266 1 26 ILE H 1 26 ILE MG . . 4.500 3.758 3.683 3.832 . 0 0 "[ . 1 . ]" 1
267 1 26 ILE H 1 27 PHE H . . 3.500 2.534 2.015 2.786 . 0 0 "[ . 1 . ]" 1
268 1 26 ILE HA 1 27 PHE H . . 4.500 3.569 3.556 3.582 . 0 0 "[ . 1 . ]" 1
269 1 26 ILE HB 1 27 PHE H . . 4.500 2.609 2.282 2.820 . 0 0 "[ . 1 . ]" 1
270 1 26 ILE MG 1 27 PHE H . . 4.500 3.339 2.969 3.523 . 0 0 "[ . 1 . ]" 1
271 1 26 ILE MG 1 27 PHE HA . . 5.000 4.001 3.589 4.248 . 0 0 "[ . 1 . ]" 1
272 1 26 ILE MG 1 27 PHE QB . . 5.000 2.614 2.339 3.927 . 0 0 "[ . 1 . ]" 1
273 1 27 PHE HA 1 28 PRO QD . . 4.000 2.070 2.043 2.108 . 0 0 "[ . 1 . ]" 1
274 1 27 PHE HA 1 28 PRO QG . . 5.000 3.979 3.957 4.009 . 0 0 "[ . 1 . ]" 1
275 1 27 PHE HA 1 40 MET ME . . 5.000 4.664 4.291 4.770 . 0 0 "[ . 1 . ]" 1
276 1 27 PHE QB 1 28 PRO QD . . 5.000 3.775 3.564 3.880 . 0 0 "[ . 1 . ]" 1
277 1 27 PHE QB 1 40 MET ME . . 5.000 2.407 2.113 2.761 . 0 0 "[ . 1 . ]" 1
278 1 28 PRO HA 1 29 THR H . . 3.500 2.377 2.196 3.523 0.023 15 0 "[ . 1 . ]" 1
279 1 28 PRO QB 1 29 THR H . . 4.500 3.651 2.540 3.995 . 0 0 "[ . 1 . ]" 1
280 1 28 PRO QD 1 29 THR H . . 5.500 4.579 2.889 4.995 . 0 0 "[ . 1 . ]" 1
281 1 29 THR H 1 29 THR MG . . 4.500 3.130 2.161 4.024 . 0 0 "[ . 1 . ]" 1
282 1 29 THR H 1 30 PRO QD . . 5.500 4.183 3.282 4.362 . 0 0 "[ . 1 . ]" 1
283 1 29 THR HA 1 30 PRO QD . . 3.000 2.040 2.001 2.089 . 0 0 "[ . 1 . ]" 1
284 1 29 THR HA 1 30 PRO QG . . 5.000 3.973 3.952 3.994 . 0 0 "[ . 1 . ]" 1
285 1 29 THR HA 1 34 ALA MB . . 5.000 3.593 3.219 4.174 . 0 0 "[ . 1 . ]" 1
286 1 29 THR HB 1 30 PRO QD . . 4.000 3.845 3.412 4.043 0.043 4 0 "[ . 1 . ]" 1
287 1 29 THR HB 1 34 ALA MB . . 5.000 4.310 3.433 4.761 . 0 0 "[ . 1 . ]" 1
288 1 29 THR MG 1 30 PRO QD . . 5.000 2.947 2.255 4.069 . 0 0 "[ . 1 . ]" 1
289 1 29 THR MG 1 31 ASP H . . 5.500 3.419 2.415 4.877 . 0 0 "[ . 1 . ]" 1
290 1 29 THR MG 1 32 PRO HA . . 5.000 3.585 2.738 4.771 . 0 0 "[ . 1 . ]" 1
291 1 29 THR MG 1 34 ALA MB . . 5.000 2.842 2.005 4.507 . 0 0 "[ . 1 . ]" 1
292 1 29 THR MG 1 40 MET ME . . 5.000 2.418 2.015 3.609 . 0 0 "[ . 1 . ]" 1
293 1 30 PRO HA 1 31 ASP H . . 3.500 3.557 3.424 3.590 0.090 15 0 "[ . 1 . ]" 1
294 1 30 PRO QB 1 31 ASP H . . 4.500 3.089 1.956 3.437 . 0 0 "[ . 1 . ]" 1
295 1 30 PRO QD 1 31 ASP H . . 4.500 2.565 2.307 3.680 . 0 0 "[ . 1 . ]" 1
296 1 30 PRO QD 1 34 ALA MB . . 5.000 2.325 2.147 2.731 . 0 0 "[ . 1 . ]" 1
297 1 30 PRO QG 1 34 ALA H . . 5.500 4.262 3.851 5.374 . 0 0 "[ . 1 . ]" 1
298 1 30 PRO QG 1 34 ALA MB . . 5.000 2.529 2.252 3.262 . 0 0 "[ . 1 . ]" 1
299 1 31 ASP H 1 32 PRO QD . . 4.500 4.253 4.168 4.429 . 0 0 "[ . 1 . ]" 1
300 1 31 ASP H 1 34 ALA MB . . 4.500 2.883 2.130 3.795 . 0 0 "[ . 1 . ]" 1
301 1 31 ASP HA 1 32 PRO QD . . 3.000 2.083 2.040 2.162 . 0 0 "[ . 1 . ]" 1
302 1 31 ASP HA 1 32 PRO QG . . 5.000 3.973 3.933 4.026 . 0 0 "[ . 1 . ]" 1
303 1 31 ASP HA 1 33 ALA H . . 4.500 4.333 4.156 4.526 0.026 15 0 "[ . 1 . ]" 1
304 1 31 ASP QB 1 32 PRO QD . . 5.000 3.215 2.126 3.477 . 0 0 "[ . 1 . ]" 1
305 1 31 ASP QB 1 34 ALA H . . 5.500 3.577 3.272 4.485 . 0 0 "[ . 1 . ]" 1
306 1 31 ASP QB 1 34 ALA MB . . 5.000 3.806 3.450 4.618 . 0 0 "[ . 1 . ]" 1
307 1 32 PRO HA 1 35 LEU HG . . 3.000 2.691 2.320 3.024 0.024 12 0 "[ . 1 . ]" 1
308 1 32 PRO QB 1 33 ALA H . . 4.500 2.806 2.630 3.375 . 0 0 "[ . 1 . ]" 1
309 1 32 PRO QD 1 34 ALA H . . 5.500 4.798 4.581 4.908 . 0 0 "[ . 1 . ]" 1
310 1 32 PRO QG 1 33 ALA H . . 4.500 3.986 2.696 4.200 . 0 0 "[ . 1 . ]" 1
311 1 33 ALA H 1 33 ALA MB . . 3.500 2.225 2.211 2.307 . 0 0 "[ . 1 . ]" 1
312 1 33 ALA H 1 34 ALA H . . 3.500 2.829 2.419 2.895 . 0 0 "[ . 1 . ]" 1
313 1 33 ALA H 1 35 LEU H . . 4.500 4.418 4.163 4.579 0.079 12 0 "[ . 1 . ]" 1
314 1 33 ALA HA 1 36 LYS QB . . 4.000 3.910 3.660 3.955 . 0 0 "[ . 1 . ]" 1
315 1 33 ALA HA 1 36 LYS QD . . 4.000 3.066 2.401 3.996 . 0 0 "[ . 1 . ]" 1
316 1 34 ALA H 1 35 LEU H . . 3.500 2.817 2.708 2.975 . 0 0 "[ . 1 . ]" 1
317 1 34 ALA H 1 35 LEU HG . . 4.500 4.347 4.133 4.574 0.074 12 0 "[ . 1 . ]" 1
318 1 34 ALA HA 1 37 ASP QB . . 5.000 3.571 3.160 4.101 . 0 0 "[ . 1 . ]" 1
319 1 34 ALA MB 1 35 LEU H . . 4.500 2.744 2.445 2.978 . 0 0 "[ . 1 . ]" 1
320 1 34 ALA MB 1 35 LEU HA . . 5.000 3.900 3.757 4.028 . 0 0 "[ . 1 . ]" 1
321 1 35 LEU H 1 36 LYS H . . 3.500 2.794 2.702 2.920 . 0 0 "[ . 1 . ]" 1
322 1 35 LEU HA 1 40 MET QB . . 5.000 2.456 2.016 3.163 . 0 0 "[ . 1 . ]" 1
323 1 35 LEU HA 1 40 MET ME . . 4.000 3.698 2.595 3.962 . 0 0 "[ . 1 . ]" 1
324 1 35 LEU HA 1 40 MET QG . . 5.000 2.331 1.924 3.483 . 0 0 "[ . 1 . ]" 1
325 1 35 LEU HA 1 44 VAL MG2 . . 5.000 3.577 3.001 4.007 . 0 0 "[ . 1 . ]" 1
326 1 36 LYS H 1 36 LYS QB . . 3.500 2.407 2.273 2.504 . 0 0 "[ . 1 . ]" 1
327 1 36 LYS H 1 36 LYS QG . . 4.500 2.391 2.159 3.493 . 0 0 "[ . 1 . ]" 1
328 1 36 LYS H 1 37 ASP QB . . 5.500 4.365 4.234 4.759 . 0 0 "[ . 1 . ]" 1
329 1 36 LYS HA 1 36 LYS QD . . 4.000 3.678 2.198 4.072 0.072 13 0 "[ . 1 . ]" 1
330 1 36 LYS HA 1 36 LYS QE . . 5.000 4.494 2.208 4.928 . 0 0 "[ . 1 . ]" 1
331 1 36 LYS HA 1 36 LYS QG . . 4.000 2.435 2.280 3.149 . 0 0 "[ . 1 . ]" 1
332 1 37 ASP H 1 38 ARG H . . 5.500 4.587 4.495 4.681 . 0 0 "[ . 1 . ]" 1
333 1 37 ASP HA 1 38 ARG QG . . 5.000 4.536 3.598 5.017 0.017 12 0 "[ . 1 . ]" 1
334 1 37 ASP QB 1 38 ARG H . . 5.500 3.734 3.190 3.903 . 0 0 "[ . 1 . ]" 1
335 1 37 ASP QB 1 39 ARG QB . . 5.000 3.842 3.266 4.510 . 0 0 "[ . 1 . ]" 1
336 1 37 ASP QB 1 40 MET H . . 5.500 2.774 2.524 3.033 . 0 0 "[ . 1 . ]" 1
337 1 37 ASP QB 1 40 MET QG . . 5.000 3.657 2.277 4.478 . 0 0 "[ . 1 . ]" 1
338 1 38 ARG H 1 38 ARG QG . . 4.500 2.858 2.110 3.362 . 0 0 "[ . 1 . ]" 1
339 1 38 ARG HA 1 38 ARG QD . . 4.000 3.337 2.190 3.985 . 0 0 "[ . 1 . ]" 1
340 1 38 ARG HA 1 38 ARG QG . . 3.000 2.318 2.090 2.492 . 0 0 "[ . 1 . ]" 1
341 1 38 ARG HA 1 41 GLU QB . . 4.000 2.227 1.981 2.627 . 0 0 "[ . 1 . ]" 1
342 1 38 ARG HA 1 41 GLU QG . . 4.000 3.894 3.517 4.002 0.002 2 0 "[ . 1 . ]" 1
343 1 38 ARG QG 1 41 GLU QG . . 5.000 4.596 3.985 4.789 . 0 0 "[ . 1 . ]" 1
344 1 39 ARG H 1 40 MET H . . 4.500 2.678 2.261 2.826 . 0 0 "[ . 1 . ]" 1
345 1 39 ARG HA 1 39 ARG QD . . 4.000 3.192 2.176 4.087 0.087 14 0 "[ . 1 . ]" 1
346 1 39 ARG HA 1 40 MET H . . 4.500 3.585 3.563 3.614 . 0 0 "[ . 1 . ]" 1
347 1 39 ARG HA 1 42 ASN QB . . 4.000 2.998 2.233 3.973 . 0 0 "[ . 1 . ]" 1
348 1 39 ARG QB 1 40 MET H . . 4.500 2.548 2.251 3.519 . 0 0 "[ . 1 . ]" 1
349 1 39 ARG QG 1 40 MET H . . 4.500 3.786 2.124 4.147 . 0 0 "[ . 1 . ]" 1
350 1 40 MET H 1 40 MET QG . . 4.500 3.627 2.121 4.068 . 0 0 "[ . 1 . ]" 1
351 1 40 MET H 1 41 GLU H . . 4.500 2.606 2.356 2.839 . 0 0 "[ . 1 . ]" 1
352 1 40 MET HA 1 40 MET ME . . 4.000 3.465 2.824 3.962 . 0 0 "[ . 1 . ]" 1
353 1 40 MET HA 1 40 MET QG . . 4.000 2.765 2.085 3.092 . 0 0 "[ . 1 . ]" 1
354 1 40 MET HA 1 41 GLU H . . 4.500 3.573 3.550 3.595 . 0 0 "[ . 1 . ]" 1
355 1 40 MET HA 1 43 LEU H . . 4.500 3.224 3.059 3.580 . 0 0 "[ . 1 . ]" 1
356 1 40 MET HA 1 43 LEU QB . . 4.000 3.128 2.453 3.970 . 0 0 "[ . 1 . ]" 1
357 1 40 MET HA 1 43 LEU HG . . 4.000 2.723 2.114 3.511 . 0 0 "[ . 1 . ]" 1
358 1 40 MET QB 1 40 MET ME . . 4.000 2.976 2.166 3.704 . 0 0 "[ . 1 . ]" 1
359 1 40 MET QG 1 44 VAL MG2 . . 5.000 3.055 2.223 4.620 . 0 0 "[ . 1 . ]" 1
360 1 41 GLU H 1 41 GLU QG . . 4.500 3.997 3.904 4.104 . 0 0 "[ . 1 . ]" 1
361 1 41 GLU H 1 42 ASN H . . 4.500 2.840 2.702 2.969 . 0 0 "[ . 1 . ]" 1
362 1 41 GLU HA 1 41 GLU QG . . 3.000 2.609 2.329 3.035 0.035 16 0 "[ . 1 . ]" 1
363 1 41 GLU HA 1 42 ASN H . . 3.500 3.558 3.540 3.572 0.072 7 0 "[ . 1 . ]" 1
364 1 41 GLU HA 1 43 LEU H . . 4.500 4.372 3.992 4.593 0.093 3 0 "[ . 1 . ]" 1
365 1 41 GLU HA 1 44 VAL H . . 4.500 3.353 2.977 3.629 . 0 0 "[ . 1 . ]" 1
366 1 41 GLU HA 1 44 VAL HB . . 3.000 2.396 2.185 2.623 . 0 0 "[ . 1 . ]" 1
367 1 41 GLU HA 1 44 VAL MG1 . . 4.000 3.689 3.553 3.816 . 0 0 "[ . 1 . ]" 1
368 1 41 GLU HA 1 44 VAL MG2 . . 4.000 2.950 2.344 3.439 . 0 0 "[ . 1 . ]" 1
369 1 41 GLU QB 1 42 ASN H . . 4.500 2.589 2.376 3.105 . 0 0 "[ . 1 . ]" 1
370 1 41 GLU QG 1 42 ASN H . . 5.500 3.889 3.434 4.294 . 0 0 "[ . 1 . ]" 1
371 1 41 GLU QG 1 42 ASN HA . . 5.000 4.141 3.648 4.911 . 0 0 "[ . 1 . ]" 1
372 1 41 GLU QG 1 45 ALA MB . . 5.000 3.653 3.259 4.319 . 0 0 "[ . 1 . ]" 1
373 1 42 ASN H 1 42 ASN QB . . 3.500 2.269 2.085 2.575 . 0 0 "[ . 1 . ]" 1
374 1 42 ASN H 1 43 LEU H . . 3.500 2.762 2.534 2.879 . 0 0 "[ . 1 . ]" 1
375 1 42 ASN HA 1 45 ALA MB . . 4.000 2.556 2.422 2.702 . 0 0 "[ . 1 . ]" 1
376 1 42 ASN QB 1 43 LEU H . . 4.500 2.784 2.580 3.452 . 0 0 "[ . 1 . ]" 1
377 1 43 LEU H 1 43 LEU HG . . 3.500 2.362 2.104 2.522 . 0 0 "[ . 1 . ]" 1
378 1 43 LEU H 1 44 VAL H . . 4.500 2.556 2.423 2.679 . 0 0 "[ . 1 . ]" 1
379 1 43 LEU H 1 44 VAL HB . . 4.500 4.556 4.538 4.575 0.075 16 0 "[ . 1 . ]" 1
380 1 43 LEU H 1 44 VAL MG2 . . 5.500 4.157 3.770 4.378 . 0 0 "[ . 1 . ]" 1
381 1 43 LEU HA 1 46 TYR QB . . 4.000 2.390 2.219 2.565 . 0 0 "[ . 1 . ]" 1
382 1 43 LEU QB 1 44 VAL H . . 4.500 2.862 2.533 3.732 . 0 0 "[ . 1 . ]" 1
383 1 43 LEU HG 1 44 VAL H . . 4.500 3.949 2.668 4.476 . 0 0 "[ . 1 . ]" 1
384 1 44 VAL H 1 44 VAL HB . . 3.500 2.354 2.244 2.523 . 0 0 "[ . 1 . ]" 1
385 1 44 VAL H 1 44 VAL MG1 . . 4.500 3.740 3.698 3.776 . 0 0 "[ . 1 . ]" 1
386 1 44 VAL H 1 44 VAL MG2 . . 4.500 2.258 2.031 2.427 . 0 0 "[ . 1 . ]" 1
387 1 44 VAL H 1 45 ALA H . . 4.500 2.730 2.628 2.799 . 0 0 "[ . 1 . ]" 1
388 1 44 VAL HA 1 47 ALA H . . 5.500 3.476 3.341 3.551 . 0 0 "[ . 1 . ]" 1
389 1 44 VAL HA 1 47 ALA MB . . 4.000 2.515 2.383 2.653 . 0 0 "[ . 1 . ]" 1
390 1 44 VAL HB 1 45 ALA MB . . 5.000 4.112 4.033 4.182 . 0 0 "[ . 1 . ]" 1
391 1 44 VAL MG1 1 45 ALA H . . 4.500 3.255 3.058 3.532 . 0 0 "[ . 1 . ]" 1
392 1 44 VAL MG1 1 45 ALA HA . . 4.000 3.513 3.341 3.760 . 0 0 "[ . 1 . ]" 1
393 1 44 VAL MG1 1 48 LYS QB . . 5.000 4.139 3.982 4.268 . 0 0 "[ . 1 . ]" 1
394 1 44 VAL MG1 1 48 LYS QD . . 4.000 3.108 2.039 3.425 . 0 0 "[ . 1 . ]" 1
395 1 44 VAL MG1 1 48 LYS QE . . 4.000 2.271 2.120 3.776 . 0 0 "[ . 1 . ]" 1
396 1 44 VAL MG1 1 48 LYS QG . . 5.000 2.938 2.650 3.131 . 0 0 "[ . 1 . ]" 1
397 1 44 VAL MG2 1 45 ALA H . . 4.500 3.963 3.844 4.032 . 0 0 "[ . 1 . ]" 1
398 1 45 ALA H 1 45 ALA MB . . 3.500 2.239 2.234 2.249 . 0 0 "[ . 1 . ]" 1
399 1 45 ALA HA 1 46 TYR H . . 4.500 3.605 3.595 3.631 . 0 0 "[ . 1 . ]" 1
400 1 45 ALA HA 1 48 LYS QB . . 4.000 2.692 2.471 2.785 . 0 0 "[ . 1 . ]" 1
401 1 45 ALA HA 1 48 LYS QG . . 5.000 3.738 3.560 3.884 . 0 0 "[ . 1 . ]" 1
402 1 45 ALA MB 1 46 TYR H . . 4.500 2.424 2.352 2.550 . 0 0 "[ . 1 . ]" 1
403 1 45 ALA MB 1 46 TYR HA . . 5.000 3.896 3.863 3.939 . 0 0 "[ . 1 . ]" 1
404 1 45 ALA MB 1 48 LYS QE . . 5.000 3.531 3.259 4.619 . 0 0 "[ . 1 . ]" 1
405 1 46 TYR H 1 46 TYR QB . . 3.500 2.213 2.161 2.267 . 0 0 "[ . 1 . ]" 1
406 1 46 TYR H 1 47 ALA H . . 4.500 2.844 2.812 2.872 . 0 0 "[ . 1 . ]" 1
407 1 46 TYR HA 1 47 ALA H . . 4.500 3.598 3.580 3.614 . 0 0 "[ . 1 . ]" 1
408 1 46 TYR HA 1 49 LYS H . . 4.500 3.473 3.348 3.664 . 0 0 "[ . 1 . ]" 1
409 1 46 TYR HA 1 49 LYS QB . . 4.000 2.581 2.227 2.849 . 0 0 "[ . 1 . ]" 1
410 1 46 TYR HA 1 50 VAL H . . 4.500 3.916 3.776 4.013 . 0 0 "[ . 1 . ]" 1
411 1 46 TYR QB 1 47 ALA H . . 4.500 2.523 2.407 2.665 . 0 0 "[ . 1 . ]" 1
412 1 47 ALA H 1 48 LYS H . . 4.500 2.843 2.776 2.912 . 0 0 "[ . 1 . ]" 1
413 1 47 ALA HA 1 48 LYS H . . 5.500 3.612 3.582 3.624 . 0 0 "[ . 1 . ]" 1
414 1 47 ALA HA 1 50 VAL HB . . 3.000 2.628 2.417 2.912 . 0 0 "[ . 1 . ]" 1
415 1 47 ALA HA 1 50 VAL MG2 . . 5.000 3.408 3.274 3.630 . 0 0 "[ . 1 . ]" 1
416 1 47 ALA MB 1 48 LYS H . . 4.500 2.524 2.449 2.653 . 0 0 "[ . 1 . ]" 1
417 1 47 ALA MB 1 48 LYS QG . . 4.000 3.354 3.093 3.521 . 0 0 "[ . 1 . ]" 1
418 1 48 LYS H 1 48 LYS QG . . 4.500 2.397 2.264 2.463 . 0 0 "[ . 1 . ]" 1
419 1 48 LYS H 1 49 LYS H . . 4.500 2.772 2.717 2.842 . 0 0 "[ . 1 . ]" 1
420 1 48 LYS HA 1 48 LYS QD . . 4.000 3.944 3.920 4.035 0.035 8 0 "[ . 1 . ]" 1
421 1 48 LYS HA 1 48 LYS QG . . 4.000 2.249 2.226 2.266 . 0 0 "[ . 1 . ]" 1
422 1 48 LYS HA 1 51 GLU H . . 4.500 3.544 3.385 3.663 . 0 0 "[ . 1 . ]" 1
423 1 48 LYS HA 1 51 GLU QB . . 4.000 2.542 2.252 2.711 . 0 0 "[ . 1 . ]" 1
424 1 48 LYS QB 1 48 LYS QE . . 4.000 2.248 2.103 2.696 . 0 0 "[ . 1 . ]" 1
425 1 48 LYS QG 1 49 LYS H . . 4.500 4.213 4.170 4.247 . 0 0 "[ . 1 . ]" 1
426 1 49 LYS H 1 49 LYS QB . . 3.500 2.303 2.153 2.480 . 0 0 "[ . 1 . ]" 1
427 1 49 LYS H 1 49 LYS QG . . 4.500 3.095 2.261 4.001 . 0 0 "[ . 1 . ]" 1
428 1 49 LYS H 1 50 VAL H . . 3.500 2.840 2.763 2.918 . 0 0 "[ . 1 . ]" 1
429 1 49 LYS HA 1 49 LYS QD . . 4.000 3.773 2.386 4.005 0.005 5 0 "[ . 1 . ]" 1
430 1 49 LYS HA 1 49 LYS QG . . 4.000 2.347 2.213 3.224 . 0 0 "[ . 1 . ]" 1
431 1 49 LYS HA 1 50 VAL H . . 4.500 3.597 3.583 3.628 . 0 0 "[ . 1 . ]" 1
432 1 49 LYS HA 1 53 ASP H . . 5.500 3.974 3.829 4.121 . 0 0 "[ . 1 . ]" 1
433 1 49 LYS QB 1 50 VAL H . . 3.500 2.457 2.344 2.566 . 0 0 "[ . 1 . ]" 1
434 1 50 VAL H 1 50 VAL MG1 . . 4.500 3.763 3.740 3.798 . 0 0 "[ . 1 . ]" 1
435 1 50 VAL H 1 50 VAL MG2 . . 4.500 2.305 2.254 2.389 . 0 0 "[ . 1 . ]" 1
436 1 50 VAL H 1 51 GLU H . . 4.500 2.876 2.816 2.962 . 0 0 "[ . 1 . ]" 1
437 1 50 VAL HA 1 53 ASP H . . 4.500 3.530 3.406 3.673 . 0 0 "[ . 1 . ]" 1
438 1 50 VAL HA 1 53 ASP QB . . 4.000 2.632 2.416 2.799 . 0 0 "[ . 1 . ]" 1
439 1 50 VAL HA 1 54 MET H . . 4.500 3.887 3.750 4.000 . 0 0 "[ . 1 . ]" 1
440 1 50 VAL HA 1 54 MET ME . . 5.000 3.927 3.334 4.216 . 0 0 "[ . 1 . ]" 1
441 1 50 VAL HB 1 51 GLU H . . 3.500 2.493 2.408 2.582 . 0 0 "[ . 1 . ]" 1
442 1 50 VAL HB 1 51 GLU HA . . 5.000 4.495 4.434 4.594 . 0 0 "[ . 1 . ]" 1
443 1 50 VAL MG1 1 54 MET QB . . 4.000 3.754 3.353 3.808 . 0 0 "[ . 1 . ]" 1
444 1 50 VAL MG1 1 54 MET ME . . 4.000 2.340 2.026 2.516 . 0 0 "[ . 1 . ]" 1
445 1 50 VAL MG1 1 54 MET QG . . 5.000 2.589 2.380 3.900 . 0 0 "[ . 1 . ]" 1
446 1 50 VAL MG1 1 71 LYS QD . . 4.000 3.297 1.955 3.786 . 0 0 "[ . 1 . ]" 1
447 1 50 VAL MG1 1 71 LYS QG . . 4.000 2.541 2.094 3.830 . 0 0 "[ . 1 . ]" 1
448 1 50 VAL MG2 1 51 GLU H . . 4.500 3.953 3.910 4.001 . 0 0 "[ . 1 . ]" 1
449 1 50 VAL MG2 1 54 MET ME . . 4.000 3.687 3.603 3.707 . 0 0 "[ . 1 . ]" 1
450 1 50 VAL MG2 1 71 LYS QD . . 5.000 4.017 2.475 4.573 . 0 0 "[ . 1 . ]" 1
451 1 50 VAL MG2 1 71 LYS QE . . 5.000 2.823 2.220 4.008 . 0 0 "[ . 1 . ]" 1
452 1 50 VAL MG2 1 71 LYS QG . . 5.000 3.711 2.884 4.634 . 0 0 "[ . 1 . ]" 1
453 1 51 GLU H 1 52 GLY H . . 4.500 2.893 2.824 2.964 . 0 0 "[ . 1 . ]" 1
454 1 51 GLU HA 1 54 MET QB . . 5.000 2.739 2.542 3.016 . 0 0 "[ . 1 . ]" 1
455 1 51 GLU HA 1 54 MET QG . . 5.000 3.456 3.211 3.985 . 0 0 "[ . 1 . ]" 1
456 1 51 GLU QB 1 52 GLY H . . 5.500 2.506 2.338 2.629 . 0 0 "[ . 1 . ]" 1
457 1 52 GLY H 1 53 ASP H . . 3.500 2.844 2.780 2.935 . 0 0 "[ . 1 . ]" 1
458 1 52 GLY QA 1 53 ASP H . . 4.500 2.624 2.568 2.659 . 0 0 "[ . 1 . ]" 1
459 1 52 GLY QA 1 55 TYR QB . . 5.000 2.657 2.358 2.914 . 0 0 "[ . 1 . ]" 1
460 1 52 GLY QA 1 56 GLU H . . 4.500 3.793 3.651 3.943 . 0 0 "[ . 1 . ]" 1
461 1 53 ASP H 1 53 ASP QB . . 3.500 2.374 2.239 2.602 . 0 0 "[ . 1 . ]" 1
462 1 53 ASP HA 1 56 GLU QB . . 4.000 2.979 2.520 3.542 . 0 0 "[ . 1 . ]" 1
463 1 53 ASP HA 1 56 GLU QG . . 5.000 4.163 3.851 4.652 . 0 0 "[ . 1 . ]" 1
464 1 53 ASP QB 1 54 MET ME . . 5.000 3.691 3.099 3.792 . 0 0 "[ . 1 . ]" 1
465 1 54 MET H 1 55 TYR H . . 4.500 2.777 2.728 2.898 . 0 0 "[ . 1 . ]" 1
466 1 54 MET H 1 56 GLU H . . 4.500 4.323 4.020 4.505 0.005 15 0 "[ . 1 . ]" 1
467 1 54 MET HA 1 54 MET ME . . 4.000 3.862 3.190 3.936 . 0 0 "[ . 1 . ]" 1
468 1 54 MET HA 1 54 MET QG . . 4.000 2.837 2.329 2.970 . 0 0 "[ . 1 . ]" 1
469 1 54 MET HA 1 57 SER QB . . 4.000 2.764 2.344 4.004 0.004 11 0 "[ . 1 . ]" 1
470 1 54 MET ME 1 71 LYS QD . . 4.000 2.609 2.007 3.541 . 0 0 "[ . 1 . ]" 1
471 1 54 MET ME 1 71 LYS QG . . 4.000 2.847 2.216 3.776 . 0 0 "[ . 1 . ]" 1
472 1 54 MET QG 1 55 TYR H . . 4.500 4.084 3.962 4.472 . 0 0 "[ . 1 . ]" 1
473 1 55 TYR H 1 56 GLU H . . 4.500 2.845 2.740 2.978 . 0 0 "[ . 1 . ]" 1
474 1 55 TYR HA 1 58 ALA MB . . 5.000 3.270 2.817 3.805 . 0 0 "[ . 1 . ]" 1
475 1 55 TYR QB 1 56 GLU H . . 4.500 2.426 2.189 2.788 . 0 0 "[ . 1 . ]" 1
476 1 55 TYR QB 1 56 GLU QG . . 5.000 2.902 2.677 3.341 . 0 0 "[ . 1 . ]" 1
477 1 56 GLU H 1 56 GLU QB . . 3.500 2.420 2.314 2.521 . 0 0 "[ . 1 . ]" 1
478 1 56 GLU H 1 56 GLU QG . . 4.500 2.351 2.210 2.549 . 0 0 "[ . 1 . ]" 1
479 1 56 GLU HA 1 57 SER QB . . 5.000 4.919 4.533 5.072 0.072 14 0 "[ . 1 . ]" 1
480 1 56 GLU QB 1 57 SER H . . 4.500 3.417 2.241 3.948 . 0 0 "[ . 1 . ]" 1
481 1 56 GLU QB 1 57 SER HA . . 5.000 4.339 3.777 4.666 . 0 0 "[ . 1 . ]" 1
482 1 56 GLU QG 1 57 SER H . . 5.500 4.532 4.004 4.911 . 0 0 "[ . 1 . ]" 1
483 1 57 SER H 1 57 SER QB . . 3.500 2.609 2.081 3.430 . 0 0 "[ . 1 . ]" 1
484 1 57 SER H 1 58 ALA H . . 3.500 2.389 1.948 3.044 . 0 0 "[ . 1 . ]" 1
485 1 57 SER H 1 58 ALA HA . . 5.500 4.869 4.490 5.495 . 0 0 "[ . 1 . ]" 1
486 1 57 SER HA 1 58 ALA H . . 4.500 3.605 3.580 3.634 . 0 0 "[ . 1 . ]" 1
487 1 57 SER QB 1 58 ALA H . . 4.500 2.461 2.184 3.231 . 0 0 "[ . 1 . ]" 1
488 1 57 SER QB 1 58 ALA MB . . 5.000 3.740 3.466 4.473 . 0 0 "[ . 1 . ]" 1
489 1 58 ALA HA 1 59 ASN H . . 3.500 2.213 2.133 2.318 . 0 0 "[ . 1 . ]" 1
490 1 58 ALA HA 1 59 ASN HA . . 5.000 4.446 4.393 4.519 . 0 0 "[ . 1 . ]" 1
491 1 58 ALA HA 1 60 SER H . . 4.500 3.717 3.455 3.965 . 0 0 "[ . 1 . ]" 1
492 1 58 ALA HA 1 63 GLU QB . . 4.000 3.109 2.469 3.764 . 0 0 "[ . 1 . ]" 1
493 1 58 ALA HA 1 63 GLU QG . . 4.000 3.210 2.410 3.979 . 0 0 "[ . 1 . ]" 1
494 1 58 ALA MB 1 59 ASN H . . 4.500 3.106 2.871 3.620 . 0 0 "[ . 1 . ]" 1
495 1 58 ALA MB 1 60 SER H . . 4.500 2.597 2.432 3.067 . 0 0 "[ . 1 . ]" 1
496 1 58 ALA MB 1 63 GLU H . . 5.500 4.025 3.544 4.392 . 0 0 "[ . 1 . ]" 1
497 1 58 ALA MB 1 63 GLU QB . . 4.000 2.273 1.952 2.510 . 0 0 "[ . 1 . ]" 1
498 1 58 ALA MB 1 63 GLU QG . . 5.000 3.095 2.495 3.845 . 0 0 "[ . 1 . ]" 1
499 1 58 ALA MB 1 64 TYR H . . 5.500 2.315 2.105 2.524 . 0 0 "[ . 1 . ]" 1
500 1 58 ALA MB 1 64 TYR HA . . 4.000 2.408 2.184 2.702 . 0 0 "[ . 1 . ]" 1
501 1 58 ALA MB 1 64 TYR QB . . 5.000 2.083 2.043 2.169 . 0 0 "[ . 1 . ]" 1
502 1 59 ASN H 1 60 SER H . . 4.500 2.647 2.429 3.511 . 0 0 "[ . 1 . ]" 1
503 1 59 ASN H 1 60 SER QB . . 4.500 4.401 4.137 4.547 0.047 14 0 "[ . 1 . ]" 1
504 1 59 ASN H 1 63 GLU QB . . 5.500 3.079 2.592 4.250 . 0 0 "[ . 1 . ]" 1
505 1 59 ASN HA 1 60 SER H . . 4.500 3.301 2.629 3.484 . 0 0 "[ . 1 . ]" 1
506 1 60 SER H 1 63 GLU QB . . 4.500 2.685 2.252 3.553 . 0 0 "[ . 1 . ]" 1
507 1 60 SER QB 1 61 ARG H . . 4.500 3.080 2.611 3.447 . 0 0 "[ . 1 . ]" 1
508 1 60 SER QB 1 62 ASP H . . 4.500 2.898 2.376 3.516 . 0 0 "[ . 1 . ]" 1
509 1 61 ARG H 1 61 ARG QG . . 4.500 3.790 2.324 4.013 . 0 0 "[ . 1 . ]" 1
510 1 61 ARG H 1 62 ASP H . . 4.500 2.643 2.522 2.956 . 0 0 "[ . 1 . ]" 1
511 1 61 ARG HA 1 61 ARG QG . . 4.000 2.369 2.185 2.511 . 0 0 "[ . 1 . ]" 1
512 1 61 ARG HA 1 64 TYR H . . 4.500 3.532 3.331 3.743 . 0 0 "[ . 1 . ]" 1
513 1 61 ARG HA 1 64 TYR QB . . 4.000 2.264 2.029 2.489 . 0 0 "[ . 1 . ]" 1
514 1 61 ARG HA 1 65 TYR H . . 5.500 3.830 3.568 4.010 . 0 0 "[ . 1 . ]" 1
515 1 61 ARG QB 1 62 ASP H . . 4.500 2.725 2.436 2.994 . 0 0 "[ . 1 . ]" 1
516 1 61 ARG QG 1 62 ASP H . . 4.500 3.856 3.394 4.355 . 0 0 "[ . 1 . ]" 1
517 1 62 ASP H 1 62 ASP QB . . 3.500 2.538 2.393 2.598 . 0 0 "[ . 1 . ]" 1
518 1 62 ASP H 1 63 GLU H . . 4.500 2.881 2.679 3.142 . 0 0 "[ . 1 . ]" 1
519 1 62 ASP HA 1 65 TYR H . . 4.500 3.711 3.444 4.071 . 0 0 "[ . 1 . ]" 1
520 1 62 ASP HA 1 65 TYR QB . . 4.000 2.771 2.387 3.030 . 0 0 "[ . 1 . ]" 1
521 1 62 ASP QB 1 63 GLU H . . 5.500 2.488 2.098 3.416 . 0 0 "[ . 1 . ]" 1
522 1 62 ASP QB 1 66 HIS HD2 . . 5.000 4.416 3.342 4.908 . 0 0 "[ . 1 . ]" 1
523 1 63 GLU H 1 64 TYR H . . 4.500 2.799 2.692 2.949 . 0 0 "[ . 1 . ]" 1
524 1 63 GLU HA 1 66 HIS QB . . 4.000 2.712 2.239 3.498 . 0 0 "[ . 1 . ]" 1
525 1 63 GLU HA 1 66 HIS HD2 . . 5.000 2.644 2.183 3.574 . 0 0 "[ . 1 . ]" 1
526 1 63 GLU HA 1 67 LEU H . . 4.500 3.859 3.679 4.055 . 0 0 "[ . 1 . ]" 1
527 1 63 GLU QB 1 64 TYR H . . 4.500 2.458 2.234 2.681 . 0 0 "[ . 1 . ]" 1
528 1 64 TYR H 1 65 TYR H . . 4.500 2.956 2.865 3.035 . 0 0 "[ . 1 . ]" 1
529 1 64 TYR HA 1 65 TYR H . . 4.500 3.602 3.568 3.635 . 0 0 "[ . 1 . ]" 1
530 1 64 TYR HA 1 67 LEU QB . . 4.000 2.904 2.660 2.991 . 0 0 "[ . 1 . ]" 1
531 1 64 TYR QB 1 65 TYR H . . 4.500 2.486 2.244 2.697 . 0 0 "[ . 1 . ]" 1
532 1 65 TYR H 1 66 HIS H . . 4.500 2.858 2.792 2.944 . 0 0 "[ . 1 . ]" 1
533 1 65 TYR HA 1 68 LEU H . . 3.500 3.505 3.398 3.580 0.080 8 0 "[ . 1 . ]" 1
534 1 65 TYR HA 1 68 LEU QB . . 4.000 2.709 2.530 2.995 . 0 0 "[ . 1 . ]" 1
535 1 65 TYR HA 1 68 LEU HG . . 4.000 3.933 3.525 4.062 0.062 15 0 "[ . 1 . ]" 1
536 1 65 TYR HA 1 69 ALA MB . . 5.000 4.440 4.240 4.553 . 0 0 "[ . 1 . ]" 1
537 1 65 TYR QB 1 66 HIS H . . 4.500 2.555 2.464 2.647 . 0 0 "[ . 1 . ]" 1
538 1 66 HIS H 1 66 HIS QB . . 3.500 2.500 2.140 2.677 . 0 0 "[ . 1 . ]" 1
539 1 66 HIS H 1 67 LEU H . . 4.500 2.853 2.775 2.911 . 0 0 "[ . 1 . ]" 1
540 1 66 HIS HA 1 69 ALA MB . . 4.000 3.034 2.749 3.283 . 0 0 "[ . 1 . ]" 1
541 1 66 HIS HA 1 70 GLU QB . . 5.000 4.271 4.049 4.559 . 0 0 "[ . 1 . ]" 1
542 1 66 HIS QB 1 67 LEU H . . 4.500 2.413 2.184 3.515 . 0 0 "[ . 1 . ]" 1
543 1 66 HIS HD2 1 67 LEU HG . . 5.000 4.751 4.389 5.023 0.023 17 0 "[ . 1 . ]" 1
544 1 67 LEU H 1 68 LEU H . . 4.500 2.802 2.698 2.949 . 0 0 "[ . 1 . ]" 1
545 1 67 LEU HA 1 67 LEU HG . . 3.000 2.941 2.720 3.073 0.073 17 0 "[ . 1 . ]" 1
546 1 67 LEU HA 1 68 LEU H . . 4.500 3.616 3.601 3.638 . 0 0 "[ . 1 . ]" 1
547 1 67 LEU HA 1 70 GLU QB . . 4.000 2.252 2.125 2.403 . 0 0 "[ . 1 . ]" 1
548 1 67 LEU QB 1 68 LEU H . . 3.500 2.696 2.590 2.795 . 0 0 "[ . 1 . ]" 1
549 1 68 LEU H 1 68 LEU QB . . 3.500 2.384 2.326 2.523 . 0 0 "[ . 1 . ]" 1
550 1 68 LEU H 1 69 ALA H . . 4.500 2.816 2.728 2.863 . 0 0 "[ . 1 . ]" 1
551 1 68 LEU HA 1 68 LEU HG . . 4.000 2.982 2.828 3.380 . 0 0 "[ . 1 . ]" 1
552 1 68 LEU HA 1 71 LYS H . . 4.500 3.419 3.307 3.537 . 0 0 "[ . 1 . ]" 1
553 1 68 LEU HA 1 71 LYS QB . . 4.000 2.732 2.488 2.981 . 0 0 "[ . 1 . ]" 1
554 1 69 ALA HA 1 72 ILE HB . . 4.000 2.382 2.213 2.558 . 0 0 "[ . 1 . ]" 1
555 1 69 ALA HA 1 72 ILE MD . . 4.000 2.412 2.306 2.503 . 0 0 "[ . 1 . ]" 1
556 1 69 ALA HA 2 19 ILE HB . . 5.500 4.650 4.375 4.959 . 0 0 "[ . 1 . ]" 1
557 1 69 ALA HA 2 19 ILE MD . . 5.500 4.662 4.229 5.017 . 0 0 "[ . 1 . ]" 1
558 1 69 ALA HA 2 19 ILE MG . . 4.000 2.553 2.325 2.824 . 0 0 "[ . 1 . ]" 1
559 1 69 ALA MB 1 70 GLU HA . . 5.000 4.028 3.956 4.107 . 0 0 "[ . 1 . ]" 1
560 1 69 ALA MB 1 70 GLU QB . . 5.000 4.023 3.874 4.170 . 0 0 "[ . 1 . ]" 1
561 1 69 ALA MB 1 72 ILE HB . . 5.000 3.789 3.644 3.910 . 0 0 "[ . 1 . ]" 1
562 1 69 ALA MB 2 16 TYR HA . . 5.500 4.566 4.245 4.930 . 0 0 "[ . 1 . ]" 1
563 1 69 ALA MB 2 19 ILE HA . . 5.500 4.612 4.365 4.751 . 0 0 "[ . 1 . ]" 1
564 1 69 ALA MB 2 19 ILE HB . . 5.500 3.174 2.741 3.483 . 0 0 "[ . 1 . ]" 1
565 1 69 ALA MB 2 20 LEU HA . . 4.000 2.562 2.283 2.798 . 0 0 "[ . 1 . ]" 1
566 1 69 ALA MB 2 20 LEU QB . . 5.500 3.789 3.507 4.040 . 0 0 "[ . 1 . ]" 1
567 1 69 ALA MB 2 23 LEU HA . . 5.500 5.293 5.250 5.376 . 0 0 "[ . 1 . ]" 1
568 1 69 ALA MB 2 23 LEU HG . . 5.500 4.497 4.340 4.801 . 0 0 "[ . 1 . ]" 1
569 1 70 GLU H 1 71 LYS H . . 4.500 2.760 2.677 2.847 . 0 0 "[ . 1 . ]" 1
570 1 70 GLU HA 1 70 GLU QG . . 3.000 2.488 2.333 2.680 . 0 0 "[ . 1 . ]" 1
571 1 70 GLU HA 1 73 TYR QB . . 4.000 2.520 2.201 2.957 . 0 0 "[ . 1 . ]" 1
572 1 70 GLU HA 2 16 TYR HA . . 5.500 5.220 4.837 5.535 0.035 7 0 "[ . 1 . ]" 1
573 1 70 GLU HA 2 19 ILE MD . . 5.500 4.989 4.564 5.202 . 0 0 "[ . 1 . ]" 1
574 1 70 GLU QG 1 71 LYS H . . 4.500 3.653 3.400 4.149 . 0 0 "[ . 1 . ]" 1
575 1 70 GLU QG 1 74 LYS QD . . 4.000 2.491 1.949 3.584 . 0 0 "[ . 1 . ]" 1
576 1 70 GLU QG 1 74 LYS QE . . 5.000 3.601 2.075 4.438 . 0 0 "[ . 1 . ]" 1
577 1 70 GLU QG 2 6 ARG HA . . 5.500 5.117 4.353 5.392 . 0 0 "[ . 1 . ]" 1
578 1 71 LYS H 1 71 LYS QB . . 3.500 2.268 2.168 2.455 . 0 0 "[ . 1 . ]" 1
579 1 71 LYS H 1 71 LYS QG . . 4.500 3.531 2.475 4.069 . 0 0 "[ . 1 . ]" 1
580 1 71 LYS H 1 72 ILE H . . 4.500 2.829 2.768 2.896 . 0 0 "[ . 1 . ]" 1
581 1 71 LYS HA 1 71 LYS QD . . 4.000 2.453 2.072 3.989 . 0 0 "[ . 1 . ]" 1
582 1 71 LYS HA 1 71 LYS QE . . 4.000 3.732 2.426 4.054 0.054 1 0 "[ . 1 . ]" 1
583 1 71 LYS HA 1 71 LYS QG . . 4.000 2.737 2.088 3.005 . 0 0 "[ . 1 . ]" 1
584 1 71 LYS HA 1 74 LYS QB . . 4.000 2.822 2.365 3.444 . 0 0 "[ . 1 . ]" 1
585 1 71 LYS HA 1 74 LYS QD . . 4.000 3.634 2.801 4.059 0.059 13 0 "[ . 1 . ]" 1
586 1 71 LYS HA 1 75 ILE H . . 4.500 3.823 3.378 4.078 . 0 0 "[ . 1 . ]" 1
587 1 71 LYS QB 1 72 ILE H . . 4.500 2.466 2.263 2.769 . 0 0 "[ . 1 . ]" 1
588 1 71 LYS QB 1 75 ILE MD . . 4.000 3.379 2.230 3.876 . 0 0 "[ . 1 . ]" 1
589 1 71 LYS QE 1 75 ILE MD . . 5.000 2.801 2.113 3.754 . 0 0 "[ . 1 . ]" 1
590 1 71 LYS QG 1 72 ILE H . . 4.500 3.904 3.552 4.369 . 0 0 "[ . 1 . ]" 1
591 1 71 LYS QG 1 75 ILE MD . . 4.000 2.727 2.016 3.858 . 0 0 "[ . 1 . ]" 1
592 1 72 ILE H 1 72 ILE MD . . 4.500 3.577 3.455 3.722 . 0 0 "[ . 1 . ]" 1
593 1 72 ILE HA 1 72 ILE MD . . 4.000 3.826 3.796 3.864 . 0 0 "[ . 1 . ]" 1
594 1 72 ILE HA 1 75 ILE H . . 4.500 3.709 3.495 4.019 . 0 0 "[ . 1 . ]" 1
595 1 72 ILE HA 1 75 ILE HB . . 4.000 2.947 2.346 3.763 . 0 0 "[ . 1 . ]" 1
596 1 72 ILE HB 2 19 ILE MD . . 5.500 3.606 3.283 3.864 . 0 0 "[ . 1 . ]" 1
597 1 72 ILE HB 2 19 ILE MG . . 4.000 2.402 2.246 2.788 . 0 0 "[ . 1 . ]" 1
598 1 72 ILE MD 1 72 ILE MG . . 4.000 2.070 2.039 2.092 . 0 0 "[ . 1 . ]" 1
599 1 72 ILE MD 2 19 ILE HA . . 5.500 5.125 4.851 5.252 . 0 0 "[ . 1 . ]" 1
600 1 72 ILE MD 2 19 ILE HB . . 5.500 5.179 5.028 5.240 . 0 0 "[ . 1 . ]" 1
601 1 72 ILE MD 2 19 ILE MD . . 5.500 4.431 4.224 4.579 . 0 0 "[ . 1 . ]" 1
602 1 72 ILE MD 2 23 LEU HA . . 5.500 4.652 4.301 5.130 . 0 0 "[ . 1 . ]" 1
603 1 72 ILE MD 2 23 LEU HG . . 5.500 4.731 3.743 5.122 . 0 0 "[ . 1 . ]" 1
604 1 72 ILE MG 2 16 TYR HA . . 5.500 5.304 5.243 5.374 . 0 0 "[ . 1 . ]" 1
605 1 72 ILE MG 2 19 ILE HA . . 5.500 4.391 4.057 4.706 . 0 0 "[ . 1 . ]" 1
606 1 72 ILE MG 2 19 ILE HB . . 5.500 3.986 3.850 4.200 . 0 0 "[ . 1 . ]" 1
607 1 72 ILE MG 2 19 ILE MG . . 4.000 2.000 1.877 2.144 . 0 0 "[ . 1 . ]" 1
608 1 73 TYR HA 1 76 GLN QB . . 4.000 3.374 3.022 3.882 . 0 0 "[ . 1 . ]" 1
609 1 73 TYR HA 2 16 TYR HA . . 5.500 4.711 4.239 5.307 . 0 0 "[ . 1 . ]" 1
610 1 73 TYR HA 2 19 ILE MD . . 5.500 2.324 2.152 2.808 . 0 0 "[ . 1 . ]" 1
611 1 73 TYR QB 1 74 LYS H . . 5.500 2.366 2.187 2.638 . 0 0 "[ . 1 . ]" 1
612 1 73 TYR QB 2 16 TYR HA . . 5.500 2.966 2.326 3.387 . 0 0 "[ . 1 . ]" 1
613 1 73 TYR QB 2 19 ILE MD . . 5.500 2.356 2.125 2.648 . 0 0 "[ . 1 . ]" 1
614 1 74 LYS HA 1 74 LYS QD . . 4.000 3.698 2.675 4.064 0.064 16 0 "[ . 1 . ]" 1
615 1 74 LYS HA 1 74 LYS QG . . 4.000 2.670 2.276 3.410 . 0 0 "[ . 1 . ]" 1
616 1 74 LYS HA 1 75 ILE H . . 4.500 3.570 3.524 3.612 . 0 0 "[ . 1 . ]" 1
617 1 74 LYS HA 1 77 LYS H . . 4.500 3.962 3.553 4.530 0.030 5 0 "[ . 1 . ]" 1
618 1 74 LYS HA 1 77 LYS QB . . 5.000 3.646 3.182 4.379 . 0 0 "[ . 1 . ]" 1
619 1 74 LYS HA 1 78 GLU H . . 4.500 2.406 2.149 2.600 . 0 0 "[ . 1 . ]" 1
620 1 74 LYS HA 1 79 LEU QB . . 5.000 4.951 4.931 4.963 . 0 0 "[ . 1 . ]" 1
621 1 74 LYS QB 1 75 ILE H . . 4.500 2.437 2.241 2.816 . 0 0 "[ . 1 . ]" 1
622 1 75 ILE H 1 76 GLN H . . 4.500 2.885 2.757 2.953 . 0 0 "[ . 1 . ]" 1
623 1 75 ILE HA 1 75 ILE MD . . 4.000 3.434 2.261 3.925 . 0 0 "[ . 1 . ]" 1
624 1 75 ILE HA 1 78 GLU H . . 4.500 4.574 4.542 4.706 0.206 5 0 "[ . 1 . ]" 1
625 1 75 ILE HA 1 78 GLU QB . . 4.000 4.145 4.080 4.201 0.201 3 0 "[ . 1 . ]" 1
626 1 75 ILE HB 1 76 GLN HA . . 5.000 4.890 4.440 5.076 0.076 7 0 "[ . 1 . ]" 1
627 1 75 ILE MG 1 76 GLN H . . 5.500 3.813 3.504 4.282 . 0 0 "[ . 1 . ]" 1
628 1 76 GLN H 1 77 LYS H . . 5.500 2.412 2.079 2.815 . 0 0 "[ . 1 . ]" 1
629 1 76 GLN HA 1 76 GLN QG . . 4.000 2.576 2.379 2.999 . 0 0 "[ . 1 . ]" 1
630 1 76 GLN HA 1 77 LYS H . . 4.500 3.577 3.520 3.622 . 0 0 "[ . 1 . ]" 1
631 1 76 GLN HA 1 79 LEU H . . 4.500 4.518 4.379 4.610 0.110 5 0 "[ . 1 . ]" 1
632 1 76 GLN QB 1 77 LYS H . . 4.500 2.140 1.980 2.312 . 0 0 "[ . 1 . ]" 1
633 1 76 GLN QB 1 77 LYS HA . . 5.000 3.815 3.671 3.907 . 0 0 "[ . 1 . ]" 1
634 1 76 GLN QB 1 77 LYS QB . . 5.000 3.793 3.569 3.951 . 0 0 "[ . 1 . ]" 1
635 1 76 GLN QB 1 77 LYS QD . . 5.000 2.876 2.103 4.222 . 0 0 "[ . 1 . ]" 1
636 1 76 GLN QB 2 19 ILE MD . . 5.500 3.903 3.154 4.612 . 0 0 "[ . 1 . ]" 1
637 1 76 GLN QG 2 19 ILE MD . . 5.500 4.562 3.171 5.032 . 0 0 "[ . 1 . ]" 1
638 1 77 LYS H 1 77 LYS QG . . 4.500 3.169 1.965 3.768 . 0 0 "[ . 1 . ]" 1
639 1 77 LYS H 1 78 GLU H . . 3.500 2.805 2.662 2.962 . 0 0 "[ . 1 . ]" 1
640 1 77 LYS HA 1 77 LYS QD . . 3.000 2.384 2.079 2.635 . 0 0 "[ . 1 . ]" 1
641 1 77 LYS HA 1 77 LYS QE . . 5.000 3.861 3.570 4.074 . 0 0 "[ . 1 . ]" 1
642 1 77 LYS HA 1 77 LYS QG . . 4.000 2.489 2.282 3.110 . 0 0 "[ . 1 . ]" 1
643 1 77 LYS QB 1 78 GLU H . . 4.500 2.947 2.526 3.272 . 0 0 "[ . 1 . ]" 1
644 1 77 LYS QE 2 16 TYR HA . . 5.500 4.999 4.449 5.383 . 0 0 "[ . 1 . ]" 1
645 1 78 GLU H 1 78 GLU QB . . 3.500 2.348 2.281 2.433 . 0 0 "[ . 1 . ]" 1
646 1 78 GLU H 1 78 GLU QG . . 4.500 3.875 2.687 4.124 . 0 0 "[ . 1 . ]" 1
647 1 78 GLU HA 1 78 GLU QG . . 3.000 2.439 2.227 2.841 . 0 0 "[ . 1 . ]" 1
648 1 78 GLU HA 1 79 LEU H . . 3.500 3.513 3.491 3.526 0.026 3 0 "[ . 1 . ]" 1
649 1 78 GLU QB 1 79 LEU H . . 4.500 2.280 2.114 2.553 . 0 0 "[ . 1 . ]" 1
650 1 79 LEU H 1 79 LEU QB . . 3.500 1.987 1.928 2.088 . 0 0 "[ . 1 . ]" 1
651 1 79 LEU H 1 80 GLU H . . 3.500 2.850 2.610 3.184 . 0 0 "[ . 1 . ]" 1
652 1 79 LEU HA 1 79 LEU HG . . 3.000 2.315 2.267 2.350 . 0 0 "[ . 1 . ]" 1
653 1 79 LEU QB 1 80 GLU H . . 3.500 2.872 2.269 3.533 0.033 2 0 "[ . 1 . ]" 1
654 1 80 GLU H 1 80 GLU QB . . 3.500 2.814 2.317 3.475 . 0 0 "[ . 1 . ]" 1
655 1 80 GLU H 1 80 GLU QG . . 4.500 2.630 1.936 3.827 . 0 0 "[ . 1 . ]" 1
656 1 80 GLU HA 1 81 GLU H . . 3.500 3.405 2.294 3.585 0.085 5 0 "[ . 1 . ]" 1
657 1 80 GLU QB 1 81 GLU HA . . 4.000 3.968 3.837 4.066 0.066 10 0 "[ . 1 . ]" 1
658 1 81 GLU H 1 81 GLU QB . . 3.500 2.707 2.309 3.419 . 0 0 "[ . 1 . ]" 1
659 1 81 GLU H 1 81 GLU QG . . 4.500 2.646 1.992 4.074 . 0 0 "[ . 1 . ]" 1
660 2 1 THR HA 2 2 ASP H . . 3.500 3.504 3.263 3.585 0.085 13 0 "[ . 1 . ]" 1
661 2 1 THR HB 2 2 ASP H . . 3.500 2.730 2.030 3.587 0.087 2 0 "[ . 1 . ]" 1
662 2 1 THR MG 2 2 ASP H . . 5.000 3.445 2.116 4.312 . 0 0 "[ . 1 . ]" 1
663 2 2 ASP H 2 2 ASP QB . . 3.500 2.389 2.234 2.539 . 0 0 "[ . 1 . ]" 1
664 2 2 ASP H 2 3 SER H . . 3.500 2.819 2.523 3.319 . 0 0 "[ . 1 . ]" 1
665 2 2 ASP HA 2 3 SER H . . 3.500 3.552 3.512 3.582 0.082 7 0 "[ . 1 . ]" 1
666 2 2 ASP HA 2 5 LYS QB . . 3.000 2.605 2.172 2.976 . 0 0 "[ . 1 . ]" 1
667 2 2 ASP HA 2 5 LYS QD . . 5.000 3.908 2.426 4.903 . 0 0 "[ . 1 . ]" 1
668 2 2 ASP HA 2 5 LYS QG . . 3.000 2.844 2.324 3.077 0.077 10 0 "[ . 1 . ]" 1
669 2 2 ASP QB 2 3 SER H . . 5.000 2.927 2.289 3.561 . 0 0 "[ . 1 . ]" 1
670 2 3 SER H 2 3 SER QB . . 3.500 2.594 2.489 2.735 . 0 0 "[ . 1 . ]" 1
671 2 3 SER H 2 4 GLN H . . 3.500 2.799 2.684 2.951 . 0 0 "[ . 1 . ]" 1
672 2 3 SER HA 2 6 ARG H . . 5.000 3.866 3.495 4.414 . 0 0 "[ . 1 . ]" 1
673 2 4 GLN QB 2 5 LYS H . . 5.000 2.514 2.136 2.825 . 0 0 "[ . 1 . ]" 1
674 2 5 LYS H 2 5 LYS QB . . 3.500 2.483 2.055 2.615 . 0 0 "[ . 1 . ]" 1
675 2 5 LYS H 2 5 LYS QD . . 5.000 3.711 2.974 4.380 . 0 0 "[ . 1 . ]" 1
676 2 5 LYS H 2 5 LYS QG . . 5.000 2.310 1.961 3.815 . 0 0 "[ . 1 . ]" 1
677 2 5 LYS HA 2 8 GLU QB . . 4.500 2.712 2.348 3.135 . 0 0 "[ . 1 . ]" 1
678 2 5 LYS QB 2 6 ARG H . . 3.500 2.439 2.141 3.432 . 0 0 "[ . 1 . ]" 1
679 2 5 LYS QD 2 6 ARG H . . 5.000 4.654 4.132 5.031 0.031 16 0 "[ . 1 . ]" 1
680 2 6 ARG H 2 7 ARG H . . 5.000 2.963 2.761 3.213 . 0 0 "[ . 1 . ]" 1
681 2 6 ARG HA 2 7 ARG H . . 5.000 3.619 3.504 3.666 . 0 0 "[ . 1 . ]" 1
682 2 7 ARG HA 2 10 LEU QB . . 4.000 2.852 2.128 3.418 . 0 0 "[ . 1 . ]" 1
683 2 8 GLU HA 2 11 SER QB . . 4.500 3.001 2.467 4.016 . 0 0 "[ . 1 . ]" 1
684 2 8 GLU QB 2 9 ILE H . . 5.000 2.373 2.103 2.650 . 0 0 "[ . 1 . ]" 1
685 2 9 ILE H 2 10 LEU H . . 5.000 2.811 2.685 2.977 . 0 0 "[ . 1 . ]" 1
686 2 9 ILE HA 2 9 ILE MG . . 3.500 2.582 2.221 3.251 . 0 0 "[ . 1 . ]" 1
687 2 9 ILE HA 2 12 ARG QB . . 3.000 2.833 2.435 3.047 0.047 7 0 "[ . 1 . ]" 1
688 2 9 ILE HB 2 10 LEU H . . 5.000 3.125 2.474 4.204 . 0 0 "[ . 1 . ]" 1
689 2 9 ILE MG 2 10 LEU H . . 5.000 3.219 2.131 4.277 . 0 0 "[ . 1 . ]" 1
690 2 12 ARG H 2 13 ARG H . . 5.000 2.788 2.025 3.530 . 0 0 "[ . 1 . ]" 1
691 2 12 ARG QB 2 13 ARG H . . 5.000 3.432 2.295 4.034 . 0 0 "[ . 1 . ]" 1
692 2 13 ARG H 2 14 PRO QB . . 5.000 4.924 4.262 5.058 0.058 12 0 "[ . 1 . ]" 1
693 2 14 PRO HA 2 17 ARG QD . . 4.500 3.826 2.237 4.480 . 0 0 "[ . 1 . ]" 1
694 2 16 TYR H 2 17 ARG H . . 5.000 2.715 2.468 2.927 . 0 0 "[ . 1 . ]" 1
695 2 16 TYR HA 2 17 ARG H . . 5.000 3.589 3.505 3.635 . 0 0 "[ . 1 . ]" 1
696 2 16 TYR HA 2 19 ILE MD . . 4.500 2.425 2.249 3.187 . 0 0 "[ . 1 . ]" 1
697 2 17 ARG H 2 17 ARG QB . . 3.500 2.424 2.089 2.714 . 0 0 "[ . 1 . ]" 1
698 2 17 ARG H 2 17 ARG QG . . 5.000 2.641 1.989 4.041 . 0 0 "[ . 1 . ]" 1
699 2 17 ARG HA 2 17 ARG QD . . 4.500 3.452 2.106 4.155 . 0 0 "[ . 1 . ]" 1
700 2 17 ARG HA 2 20 LEU QB . . 4.000 2.488 2.171 2.957 . 0 0 "[ . 1 . ]" 1
701 2 19 ILE HA 2 19 ILE MD . . 4.500 3.811 3.663 3.857 . 0 0 "[ . 1 . ]" 1
702 2 19 ILE HA 2 22 ASP QB . . 4.500 2.409 2.187 2.519 . 0 0 "[ . 1 . ]" 1
703 2 20 LEU HA 2 20 LEU HG . . 4.500 3.174 2.200 3.755 . 0 0 "[ . 1 . ]" 1
704 2 22 ASP H 2 22 ASP QB . . 3.500 2.247 2.198 2.473 . 0 0 "[ . 1 . ]" 1
705 2 22 ASP HA 2 25 SER QB . . 4.000 2.724 2.414 3.975 . 0 0 "[ . 1 . ]" 1
706 2 22 ASP QB 2 23 LEU H . . 5.000 2.476 2.346 2.580 . 0 0 "[ . 1 . ]" 1
707 2 23 LEU H 2 23 LEU HG . . 5.000 4.529 4.412 4.555 . 0 0 "[ . 1 . ]" 1
708 2 23 LEU H 2 24 SER H . . 5.000 2.798 2.659 2.937 . 0 0 "[ . 1 . ]" 1
709 2 23 LEU H 2 25 SER H . . 5.000 4.140 3.966 4.307 . 0 0 "[ . 1 . ]" 1
710 2 23 LEU HA 2 26 ASP H . . 3.500 3.594 3.537 3.694 0.194 5 0 "[ . 1 . ]" 1
711 2 23 LEU HA 2 26 ASP QB . . 4.000 2.980 2.744 3.349 . 0 0 "[ . 1 . ]" 1
712 2 23 LEU HG 2 27 ALA MB . . 4.000 3.338 2.659 3.945 . 0 0 "[ . 1 . ]" 1
713 2 24 SER HA 2 27 ALA MB . . 4.000 3.428 2.442 3.881 . 0 0 "[ . 1 . ]" 1
714 2 25 SER H 2 26 ASP H . . 5.000 2.624 2.552 2.847 . 0 0 "[ . 1 . ]" 1
715 2 25 SER H 2 27 ALA H . . 5.000 4.317 4.086 5.047 0.047 12 0 "[ . 1 . ]" 1
716 2 25 SER HA 2 26 ASP H . . 3.500 3.556 3.540 3.584 0.084 5 0 "[ . 1 . ]" 1
717 2 26 ASP H 2 26 ASP QB . . 3.500 2.254 2.209 2.315 . 0 0 "[ . 1 . ]" 1
718 2 26 ASP H 2 27 ALA H . . 3.500 2.595 2.409 3.553 0.053 12 0 "[ . 1 . ]" 1
719 2 26 ASP HA 2 27 ALA H . . 3.500 3.492 2.486 3.589 0.089 1 0 "[ . 1 . ]" 1
720 2 26 ASP QB 2 27 ALA H . . 5.000 2.611 2.275 3.927 . 0 0 "[ . 1 . ]" 1
721 2 27 ALA MB 2 28 PRO QD . . 3.000 2.900 2.481 2.968 . 0 0 "[ . 1 . ]" 1
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