NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526526 |
2y4q   |
17621 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2y4q
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 1198
_Distance_constraint_stats_list.Viol_count 1406
_Distance_constraint_stats_list.Viol_total 743.424
_Distance_constraint_stats_list.Viol_max 0.215
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.566 0.079 18 0 "[ . 1 . 2]"
1 4 LEU 1.877 0.104 6 0 "[ . 1 . 2]"
1 5 LYS 0.540 0.104 6 0 "[ . 1 . 2]"
1 6 LYS 0.201 0.046 15 0 "[ . 1 . 2]"
1 7 ASN 0.201 0.046 15 0 "[ . 1 . 2]"
1 8 THR 0.965 0.059 2 0 "[ . 1 . 2]"
1 9 VAL 0.944 0.051 5 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 1.033 0.059 2 0 "[ . 1 . 2]"
1 12 ILE 0.259 0.088 19 0 "[ . 1 . 2]"
1 13 SER 0.973 0.062 2 0 "[ . 1 . 2]"
1 14 GLU 2.710 0.062 2 0 "[ . 1 . 2]"
1 15 SER 1.183 0.059 17 0 "[ . 1 . 2]"
1 16 LEU 1.722 0.051 12 0 "[ . 1 . 2]"
1 17 ARG 1.592 0.051 12 0 "[ . 1 . 2]"
1 18 GLN 0.133 0.031 18 0 "[ . 1 . 2]"
1 19 GLY 0.109 0.031 18 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.069 0.018 7 0 "[ . 1 . 2]"
1 22 LYS 0.069 0.030 13 0 "[ . 1 . 2]"
1 23 LEU 0.283 0.026 13 0 "[ . 1 . 2]"
1 24 ASN 0.028 0.012 19 0 "[ . 1 . 2]"
1 25 PHE 8.387 0.215 12 0 "[ . 1 . 2]"
1 26 ASP 1.943 0.062 12 0 "[ . 1 . 2]"
1 27 GLU 3.384 0.077 7 0 "[ . 1 . 2]"
1 28 LEU 2.225 0.065 12 0 "[ . 1 . 2]"
1 29 ARG 1.911 0.072 18 0 "[ . 1 . 2]"
1 30 GLN 1.554 0.077 7 0 "[ . 1 . 2]"
1 31 ASP 0.497 0.034 12 0 "[ . 1 . 2]"
1 32 LEU 0.793 0.032 17 0 "[ . 1 . 2]"
1 33 LYS 0.066 0.025 12 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.023 0.013 19 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 HIS 0.572 0.033 9 0 "[ . 1 . 2]"
1 38 THR 0.082 0.043 17 0 "[ . 1 . 2]"
1 39 ASP 0.108 0.043 17 0 "[ . 1 . 2]"
1 40 ALA 0.801 0.045 7 0 "[ . 1 . 2]"
1 41 GLU 1.385 0.045 7 0 "[ . 1 . 2]"
1 42 ILE 1.009 0.038 6 0 "[ . 1 . 2]"
1 43 GLU 1.226 0.041 12 0 "[ . 1 . 2]"
1 44 ALA 0.379 0.026 2 0 "[ . 1 . 2]"
1 45 ILE 1.930 0.055 6 0 "[ . 1 . 2]"
1 46 PHE 4.870 0.215 12 0 "[ . 1 . 2]"
1 47 THR 0.816 0.077 16 0 "[ . 1 . 2]"
1 48 LYS 1.306 0.074 12 0 "[ . 1 . 2]"
1 49 TYR 3.809 0.082 14 0 "[ . 1 . 2]"
1 50 ASP 2.298 0.126 4 0 "[ . 1 . 2]"
1 51 GLN 0.023 0.011 3 0 "[ . 1 . 2]"
1 52 ASP 0.020 0.011 3 0 "[ . 1 . 2]"
1 53 GLY 0.006 0.004 6 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.854 0.064 20 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 1.408 0.065 4 0 "[ . 1 . 2]"
1 58 THR 0.009 0.009 8 0 "[ . 1 . 2]"
1 59 GLU 0.059 0.009 18 0 "[ . 1 . 2]"
1 60 HIS 0.002 0.002 5 0 "[ . 1 . 2]"
1 61 GLU 0.494 0.039 13 0 "[ . 1 . 2]"
1 62 HIS 0.560 0.088 19 0 "[ . 1 . 2]"
1 63 GLN 0.017 0.006 19 0 "[ . 1 . 2]"
1 64 GLN 0.072 0.025 2 0 "[ . 1 . 2]"
1 65 MET 0.382 0.042 5 0 "[ . 1 . 2]"
1 66 ARG 0.163 0.028 11 0 "[ . 1 . 2]"
1 67 ASP 0.762 0.043 16 0 "[ . 1 . 2]"
1 68 ASP 1.143 0.060 14 0 "[ . 1 . 2]"
1 69 LEU 1.157 0.094 12 0 "[ . 1 . 2]"
1 70 GLU 1.120 0.045 11 0 "[ . 1 . 2]"
1 71 LYS 0.477 0.056 1 0 "[ . 1 . 2]"
1 72 GLU 1.291 0.085 1 0 "[ . 1 . 2]"
1 73 ARG 1.150 0.085 1 0 "[ . 1 . 2]"
1 74 GLU 0.165 0.050 20 0 "[ . 1 . 2]"
1 75 ASP 0.387 0.050 17 0 "[ . 1 . 2]"
1 76 LEU 0.498 0.050 17 0 "[ . 1 . 2]"
1 77 ASP 0.599 0.056 6 0 "[ . 1 . 2]"
1 78 LEU 1.123 0.082 4 0 "[ . 1 . 2]"
1 79 ASP 0.362 0.051 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU H 1 4 LEU HA 3.000 . 3.500 2.787 2.253 2.946 . 0 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU HB3 4.000 . 4.750 3.902 3.530 4.169 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 4 LEU HB2 3.000 . 3.500 3.095 2.910 3.593 0.093 12 0 "[ . 1 . 2]" 1
4 1 4 LEU H 1 4 LEU HG 3.000 . 3.500 2.896 1.959 3.540 0.040 6 0 "[ . 1 . 2]" 1
5 1 4 LEU H 1 4 LEU MD1 5.000 . 6.000 3.063 1.948 4.576 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU MD2 4.000 . 4.750 4.077 2.653 4.728 . 0 0 "[ . 1 . 2]" 1
7 1 4 LEU HA 1 4 LEU HB3 3.000 . 3.500 2.358 2.267 2.511 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU HA 1 4 LEU HB2 3.000 . 3.500 2.991 2.950 3.018 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU HA 1 4 LEU HG 4.000 . 4.750 2.848 2.327 3.225 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 4 LEU MD2 3.000 . 3.500 3.084 1.978 3.538 0.038 16 0 "[ . 1 . 2]" 1
11 1 4 LEU HB3 1 4 LEU HG 3.000 . 3.500 2.840 2.642 3.017 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HB3 1 4 LEU MD2 3.000 . 3.500 2.062 1.933 2.390 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU HB2 1 4 LEU HG 3.000 . 3.500 2.813 2.404 2.977 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU HB2 1 4 LEU MD1 3.000 . 3.500 2.106 1.971 2.427 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 5 LYS HA 3.000 . 3.500 2.939 2.929 2.948 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS QB 3.000 . 3.500 2.459 2.215 3.145 . 0 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 5 LYS QG 4.000 . 4.750 3.668 1.960 4.330 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS H 1 5 LYS QD 4.000 . 4.750 4.050 2.901 4.499 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 5 LYS QD 4.000 . 4.750 3.200 1.969 4.248 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS QB 1 5 LYS QD 3.000 . 3.500 2.155 1.948 2.318 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS QB 1 5 LYS QE 4.000 . 4.750 3.261 2.289 3.737 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS H 1 6 LYS QB 3.000 . 3.500 2.339 2.039 2.682 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS H 1 6 LYS QG 4.000 . 4.750 2.829 1.945 4.000 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HA 1 6 LYS QG 3.000 . 3.500 2.586 2.004 3.368 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS HA 1 6 LYS QD 4.000 . 4.750 3.838 2.820 4.427 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS QB 1 6 LYS QD 3.000 . 3.500 2.058 1.928 2.315 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS QE 1 6 LYS QG 3.000 . 3.500 2.100 1.959 2.360 . 0 0 "[ . 1 . 2]" 1
28 1 7 ASN H 1 7 ASN HA 3.000 . 3.500 2.829 2.800 2.847 . 0 0 "[ . 1 . 2]" 1
29 1 7 ASN H 1 7 ASN HD21 5.000 . 6.000 4.654 4.250 4.999 . 0 0 "[ . 1 . 2]" 1
30 1 7 ASN H 1 7 ASN HD22 5.000 . 6.000 5.590 4.427 5.840 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASN H 1 7 ASN QB 3.000 . 3.500 2.237 2.087 2.444 . 0 0 "[ . 1 . 2]" 1
32 1 7 ASN HA 1 7 ASN HD22 5.000 . 6.000 4.285 3.752 4.981 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASN QB 1 7 ASN HD21 3.000 . 3.500 2.270 2.093 2.459 . 0 0 "[ . 1 . 2]" 1
34 1 7 ASN QB 1 7 ASN HD22 3.000 . 3.500 3.305 3.215 3.376 . 0 0 "[ . 1 . 2]" 1
35 1 8 THR H 1 8 THR HB 4.000 . 4.750 2.996 2.415 3.464 . 0 0 "[ . 1 . 2]" 1
36 1 9 VAL H 1 9 VAL HB 2.500 . 2.800 2.665 2.537 2.752 . 0 0 "[ . 1 . 2]" 1
37 1 9 VAL HA 1 9 VAL HB 3.000 . 3.500 3.020 3.015 3.028 . 0 0 "[ . 1 . 2]" 1
38 1 10 ASP H 1 10 ASP QB 3.000 . 3.500 2.106 2.052 2.167 . 0 0 "[ . 1 . 2]" 1
39 1 11 ASP H 1 11 ASP HA 3.000 . 3.500 2.831 2.798 2.853 . 0 0 "[ . 1 . 2]" 1
40 1 11 ASP H 1 11 ASP QB 3.000 . 3.500 2.381 2.236 2.819 . 0 0 "[ . 1 . 2]" 1
41 1 12 ILE H 1 12 ILE HA 3.000 . 3.500 2.848 2.826 2.852 . 0 0 "[ . 1 . 2]" 1
42 1 12 ILE H 1 12 ILE HB 2.500 . 2.800 2.626 2.582 2.675 . 0 0 "[ . 1 . 2]" 1
43 1 12 ILE H 1 12 ILE MD 4.000 . 4.750 2.955 2.595 3.297 . 0 0 "[ . 1 . 2]" 1
44 1 12 ILE HA 1 12 ILE MD 4.000 . 4.750 3.726 2.027 3.931 . 0 0 "[ . 1 . 2]" 1
45 1 12 ILE HB 1 12 ILE MD 3.000 . 3.500 2.281 2.039 3.213 . 0 0 "[ . 1 . 2]" 1
46 1 13 SER H 1 13 SER HA 3.000 . 3.500 2.790 2.768 2.818 . 0 0 "[ . 1 . 2]" 1
47 1 14 GLU H 1 14 GLU HA 3.000 . 3.500 2.799 2.778 2.842 . 0 0 "[ . 1 . 2]" 1
48 1 14 GLU H 1 14 GLU QB 3.000 . 3.500 2.488 2.037 2.760 . 0 0 "[ . 1 . 2]" 1
49 1 14 GLU H 1 14 GLU QG 3.000 . 3.500 2.305 1.914 3.511 0.011 5 0 "[ . 1 . 2]" 1
50 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 3.215 2.680 3.396 . 0 0 "[ . 1 . 2]" 1
51 1 15 SER H 1 15 SER HA 3.000 . 3.500 2.821 2.774 2.856 . 0 0 "[ . 1 . 2]" 1
52 1 15 SER H 1 15 SER QB 3.000 . 3.500 2.353 2.184 2.581 . 0 0 "[ . 1 . 2]" 1
53 1 16 LEU H 1 16 LEU HA 3.000 . 3.500 2.839 2.829 2.843 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU H 1 16 LEU HB3 3.000 . 3.500 2.891 2.395 3.056 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU H 1 16 LEU HB2 4.000 . 4.750 2.237 2.117 2.594 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU H 1 16 LEU HG 4.000 . 4.750 4.336 4.243 4.601 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU H 1 16 LEU MD1 5.000 . 6.000 3.605 3.405 4.053 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU H 1 16 LEU MD2 5.000 . 6.000 4.348 4.009 4.456 . 0 0 "[ . 1 . 2]" 1
59 1 16 LEU HA 1 16 LEU HB3 3.000 . 3.500 2.949 2.924 3.018 . 0 0 "[ . 1 . 2]" 1
60 1 16 LEU HA 1 16 LEU HB2 3.000 . 3.500 2.665 2.418 2.746 . 0 0 "[ . 1 . 2]" 1
61 1 16 LEU HA 1 16 LEU HG 4.000 . 4.750 2.539 2.132 3.746 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU HA 1 16 LEU MD1 4.000 . 4.750 3.039 2.936 3.292 . 0 0 "[ . 1 . 2]" 1
63 1 16 LEU HA 1 16 LEU MD2 3.000 . 3.500 3.150 2.007 3.536 0.036 7 0 "[ . 1 . 2]" 1
64 1 16 LEU HB3 1 16 LEU HG 3.000 . 3.500 2.715 2.515 2.789 . 0 0 "[ . 1 . 2]" 1
65 1 17 ARG H 1 17 ARG QB 3.000 . 3.500 2.145 2.048 2.292 . 0 0 "[ . 1 . 2]" 1
66 1 17 ARG H 1 17 ARG QG 4.000 . 4.750 3.553 2.586 4.055 . 0 0 "[ . 1 . 2]" 1
67 1 17 ARG H 1 17 ARG QD 4.000 . 4.750 4.059 2.647 4.620 . 0 0 "[ . 1 . 2]" 1
68 1 17 ARG HA 1 17 ARG QG 3.000 . 3.500 2.260 2.032 2.529 . 0 0 "[ . 1 . 2]" 1
69 1 17 ARG QB 1 17 ARG HE 4.000 . 4.750 3.692 2.216 4.418 . 0 0 "[ . 1 . 2]" 1
70 1 17 ARG QB 1 17 ARG QD 3.000 . 3.500 2.096 1.923 2.386 . 0 0 "[ . 1 . 2]" 1
71 1 18 GLN H 1 18 GLN HA 3.000 . 3.500 2.846 2.800 2.885 . 0 0 "[ . 1 . 2]" 1
72 1 18 GLN H 1 18 GLN QB 3.000 . 3.500 2.190 2.075 2.725 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLN H 1 18 GLN QG 4.000 . 4.750 3.338 1.965 3.810 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLN HA 1 18 GLN HE22 4.000 . 4.750 4.672 4.475 4.754 0.004 6 0 "[ . 1 . 2]" 1
75 1 18 GLN HA 1 18 GLN QG 3.000 . 3.500 2.334 2.022 3.237 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLY H 1 19 GLY QA 2.500 . 2.800 2.244 2.223 2.277 . 0 0 "[ . 1 . 2]" 1
77 1 22 LYS H 1 22 LYS QG 4.000 . 4.750 2.715 1.961 4.198 . 0 0 "[ . 1 . 2]" 1
78 1 22 LYS H 1 22 LYS QD 4.000 . 4.750 4.110 2.362 4.780 0.030 13 0 "[ . 1 . 2]" 1
79 1 22 LYS HA 1 22 LYS QD 4.000 . 4.750 4.050 3.244 4.382 . 0 0 "[ . 1 . 2]" 1
80 1 22 LYS QB 1 22 LYS QD 3.000 . 3.500 2.100 1.917 2.257 . 0 0 "[ . 1 . 2]" 1
81 1 22 LYS QB 1 22 LYS QE 3.000 . 3.500 2.830 2.032 3.499 . 0 0 "[ . 1 . 2]" 1
82 1 22 LYS QE 1 22 LYS QG 3.000 . 3.500 2.150 1.967 2.411 . 0 0 "[ . 1 . 2]" 1
83 1 23 LEU H 1 23 LEU HG 4.000 . 4.750 4.028 3.638 4.596 . 0 0 "[ . 1 . 2]" 1
84 1 23 LEU H 1 23 LEU MD1 4.000 . 4.750 3.527 2.935 4.249 . 0 0 "[ . 1 . 2]" 1
85 1 23 LEU H 1 23 LEU MD2 5.000 . 6.000 4.670 2.785 4.829 . 0 0 "[ . 1 . 2]" 1
86 1 23 LEU H 1 23 LEU QB 3.000 . 3.500 2.752 2.506 2.830 . 0 0 "[ . 1 . 2]" 1
87 1 23 LEU HA 1 23 LEU HG 4.000 . 4.750 2.372 2.160 3.678 . 0 0 "[ . 1 . 2]" 1
88 1 23 LEU HA 1 23 LEU MD2 4.000 . 4.750 3.170 2.568 3.517 . 0 0 "[ . 1 . 2]" 1
89 1 23 LEU QB 1 23 LEU MD1 3.000 . 3.500 1.981 1.884 2.216 . 0 0 "[ . 1 . 2]" 1
90 1 23 LEU QB 1 23 LEU MD2 3.000 . 3.500 1.985 1.896 2.249 . 0 0 "[ . 1 . 2]" 1
91 1 24 ASN H 1 24 ASN HD21 5.000 . 6.000 2.505 2.176 3.459 . 0 0 "[ . 1 . 2]" 1
92 1 24 ASN H 1 24 ASN HD22 5.000 . 6.000 3.110 2.939 3.607 . 0 0 "[ . 1 . 2]" 1
93 1 24 ASN H 1 24 ASN QB 3.000 . 3.500 2.828 2.782 2.887 . 0 0 "[ . 1 . 2]" 1
94 1 24 ASN HA 1 24 ASN HD22 5.000 . 6.000 5.074 5.003 5.232 . 0 0 "[ . 1 . 2]" 1
95 1 24 ASN QB 1 24 ASN HD21 3.000 . 3.500 2.185 2.089 2.246 . 0 0 "[ . 1 . 2]" 1
96 1 24 ASN QB 1 24 ASN HD22 3.000 . 3.500 3.278 3.224 3.303 . 0 0 "[ . 1 . 2]" 1
97 1 25 PHE H 1 25 PHE HA 3.000 . 3.500 2.725 2.694 2.730 . 0 0 "[ . 1 . 2]" 1
98 1 25 PHE H 1 25 PHE HB3 3.000 . 3.500 3.303 3.270 3.432 . 0 0 "[ . 1 . 2]" 1
99 1 25 PHE H 1 25 PHE HB2 3.000 . 3.500 2.051 2.032 2.112 . 0 0 "[ . 1 . 2]" 1
100 1 25 PHE H 1 25 PHE QD 3.000 . 3.500 3.227 2.550 3.345 . 0 0 "[ . 1 . 2]" 1
101 1 25 PHE H 1 25 PHE QE 5.000 . 6.000 5.378 4.822 5.466 . 0 0 "[ . 1 . 2]" 1
102 1 25 PHE HA 1 25 PHE HB2 3.000 . 3.500 2.837 2.822 2.918 . 0 0 "[ . 1 . 2]" 1
103 1 25 PHE HA 1 25 PHE QD 3.000 . 3.500 2.964 2.934 3.023 . 0 0 "[ . 1 . 2]" 1
104 1 25 PHE HA 1 25 PHE QE 5.000 . 6.000 4.459 4.442 4.500 . 0 0 "[ . 1 . 2]" 1
105 1 25 PHE HB3 1 25 PHE QD 3.000 . 3.500 2.462 2.308 2.498 . 0 0 "[ . 1 . 2]" 1
106 1 25 PHE HB2 1 25 PHE QD 3.000 . 3.500 2.324 2.296 2.487 . 0 0 "[ . 1 . 2]" 1
107 1 26 ASP H 1 26 ASP HA 3.000 . 3.500 2.807 2.788 2.818 . 0 0 "[ . 1 . 2]" 1
108 1 26 ASP H 1 26 ASP QB 3.000 . 3.500 2.144 2.039 2.656 . 0 0 "[ . 1 . 2]" 1
109 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.832 2.823 2.840 . 0 0 "[ . 1 . 2]" 1
110 1 27 GLU H 1 27 GLU HB3 3.000 . 3.500 3.492 3.445 3.555 0.055 7 0 "[ . 1 . 2]" 1
111 1 27 GLU H 1 27 GLU HB2 3.000 . 3.500 2.190 2.138 2.317 . 0 0 "[ . 1 . 2]" 1
112 1 27 GLU H 1 27 GLU QG 3.000 . 3.500 2.917 2.530 3.092 . 0 0 "[ . 1 . 2]" 1
113 1 27 GLU HA 1 27 GLU HB3 3.000 . 3.500 2.671 2.568 2.724 . 0 0 "[ . 1 . 2]" 1
114 1 27 GLU HA 1 27 GLU HB2 3.000 . 3.500 2.964 2.938 3.003 . 0 0 "[ . 1 . 2]" 1
115 1 27 GLU HA 1 27 GLU QG 3.000 . 3.500 2.205 2.049 2.698 . 0 0 "[ . 1 . 2]" 1
116 1 28 LEU H 1 28 LEU HA 3.000 . 3.500 2.829 2.820 2.836 . 0 0 "[ . 1 . 2]" 1
117 1 28 LEU H 1 28 LEU HB3 3.000 . 3.500 3.068 3.017 3.087 . 0 0 "[ . 1 . 2]" 1
118 1 28 LEU H 1 28 LEU HB2 3.000 . 3.500 2.133 2.115 2.151 . 0 0 "[ . 1 . 2]" 1
119 1 28 LEU H 1 28 LEU HG 4.000 . 4.750 4.557 4.541 4.572 . 0 0 "[ . 1 . 2]" 1
120 1 28 LEU H 1 28 LEU MD1 5.000 . 6.000 3.264 3.227 3.351 . 0 0 "[ . 1 . 2]" 1
121 1 28 LEU H 1 28 LEU MD2 5.000 . 6.000 4.142 4.111 4.174 . 0 0 "[ . 1 . 2]" 1
122 1 28 LEU HA 1 28 LEU HB3 3.000 . 3.500 2.926 2.914 2.943 . 0 0 "[ . 1 . 2]" 1
123 1 28 LEU HA 1 28 LEU HB2 3.000 . 3.500 2.746 2.717 2.760 . 0 0 "[ . 1 . 2]" 1
124 1 28 LEU HA 1 28 LEU HG 3.000 . 3.500 2.709 2.665 2.752 . 0 0 "[ . 1 . 2]" 1
125 1 28 LEU HA 1 28 LEU MD1 4.000 . 4.750 2.010 1.935 2.155 . 0 0 "[ . 1 . 2]" 1
126 1 28 LEU HA 1 28 LEU MD2 4.000 . 4.750 3.767 3.759 3.777 . 0 0 "[ . 1 . 2]" 1
127 1 28 LEU HB3 1 28 LEU HG 3.000 . 3.500 2.435 2.411 2.453 . 0 0 "[ . 1 . 2]" 1
128 1 28 LEU HB3 1 28 LEU MD2 3.000 . 3.500 2.386 2.332 2.427 . 0 0 "[ . 1 . 2]" 1
129 1 28 LEU HB2 1 28 LEU HG 3.000 . 3.500 3.023 3.021 3.025 . 0 0 "[ . 1 . 2]" 1
130 1 28 LEU HB2 1 28 LEU MD1 3.000 . 3.500 2.390 2.312 2.440 . 0 0 "[ . 1 . 2]" 1
131 1 28 LEU HB2 1 28 LEU MD2 3.000 . 3.500 2.312 2.260 2.377 . 0 0 "[ . 1 . 2]" 1
132 1 29 ARG H 1 29 ARG HB3 3.000 . 3.500 2.745 2.689 2.846 . 0 0 "[ . 1 . 2]" 1
133 1 29 ARG H 1 29 ARG HB2 3.000 . 3.500 2.311 2.236 2.355 . 0 0 "[ . 1 . 2]" 1
134 1 29 ARG H 1 29 ARG QG 4.000 . 4.750 3.904 3.874 3.920 . 0 0 "[ . 1 . 2]" 1
135 1 29 ARG H 1 29 ARG QD 5.000 . 6.000 4.470 4.280 4.744 . 0 0 "[ . 1 . 2]" 1
136 1 29 ARG HA 1 29 ARG HB2 3.000 . 3.500 2.560 2.536 2.612 . 0 0 "[ . 1 . 2]" 1
137 1 29 ARG HA 1 29 ARG QG 3.000 . 3.500 2.333 2.185 2.398 . 0 0 "[ . 1 . 2]" 1
138 1 29 ARG HA 1 29 ARG QD 4.000 . 4.750 3.965 3.423 4.101 . 0 0 "[ . 1 . 2]" 1
139 1 29 ARG HB3 1 29 ARG HE 4.000 . 4.750 3.516 2.645 4.442 . 0 0 "[ . 1 . 2]" 1
140 1 29 ARG HB3 1 29 ARG QD 3.000 . 3.500 2.296 1.970 3.055 . 0 0 "[ . 1 . 2]" 1
141 1 29 ARG HB2 1 29 ARG QD 3.000 . 3.500 2.720 2.225 3.244 . 0 0 "[ . 1 . 2]" 1
142 1 29 ARG HE 1 29 ARG QG 3.000 . 3.500 2.340 2.064 3.255 . 0 0 "[ . 1 . 2]" 1
143 1 30 GLN H 1 30 GLN HA 3.000 . 3.500 2.805 2.793 2.824 . 0 0 "[ . 1 . 2]" 1
144 1 30 GLN H 1 30 GLN QB 3.000 . 3.500 2.347 2.050 2.584 . 0 0 "[ . 1 . 2]" 1
145 1 30 GLN H 1 30 GLN QG 3.000 . 3.500 2.560 2.057 3.326 . 0 0 "[ . 1 . 2]" 1
146 1 30 GLN HA 1 30 GLN QG 3.000 . 3.500 2.731 2.126 3.359 . 0 0 "[ . 1 . 2]" 1
147 1 31 ASP H 1 31 ASP HA 3.000 . 3.500 2.840 2.828 2.860 . 0 0 "[ . 1 . 2]" 1
148 1 31 ASP H 1 31 ASP QB 3.000 . 3.500 2.179 2.058 2.307 . 0 0 "[ . 1 . 2]" 1
149 1 32 LEU H 1 32 LEU HA 3.000 . 3.500 2.881 2.875 2.887 . 0 0 "[ . 1 . 2]" 1
150 1 32 LEU H 1 32 LEU HB3 4.000 . 4.750 3.461 3.419 3.502 . 0 0 "[ . 1 . 2]" 1
151 1 32 LEU H 1 32 LEU HB2 3.000 . 3.500 2.162 2.132 2.202 . 0 0 "[ . 1 . 2]" 1
152 1 32 LEU H 1 32 LEU HG 3.000 . 3.500 3.180 2.988 3.290 . 0 0 "[ . 1 . 2]" 1
153 1 32 LEU H 1 32 LEU MD1 5.000 . 6.000 3.654 3.456 3.938 . 0 0 "[ . 1 . 2]" 1
154 1 32 LEU H 1 32 LEU MD2 5.000 . 6.000 4.122 3.765 4.197 . 0 0 "[ . 1 . 2]" 1
155 1 32 LEU HA 1 32 LEU HB3 3.000 . 3.500 2.687 2.644 2.724 . 0 0 "[ . 1 . 2]" 1
156 1 32 LEU HA 1 32 LEU HG 3.000 . 3.500 2.596 2.511 2.934 . 0 0 "[ . 1 . 2]" 1
157 1 32 LEU HA 1 32 LEU MD2 3.000 . 3.500 2.179 1.943 2.364 . 0 0 "[ . 1 . 2]" 1
158 1 32 LEU HB3 1 32 LEU HG 3.000 . 3.500 3.007 2.990 3.019 . 0 0 "[ . 1 . 2]" 1
159 1 32 LEU HB2 1 32 LEU HG 2.500 . 2.800 2.553 2.415 2.626 . 0 0 "[ . 1 . 2]" 1
160 1 33 LYS H 1 33 LYS QB 3.000 . 3.500 2.127 2.071 2.248 . 0 0 "[ . 1 . 2]" 1
161 1 33 LYS H 1 33 LYS QG 4.000 . 4.750 3.258 2.802 3.835 . 0 0 "[ . 1 . 2]" 1
162 1 33 LYS HA 1 33 LYS QG 3.000 . 3.500 2.108 2.004 2.294 . 0 0 "[ . 1 . 2]" 1
163 1 33 LYS HA 1 33 LYS QD 3.000 . 3.500 3.176 2.625 3.515 0.015 2 0 "[ . 1 . 2]" 1
164 1 33 LYS QB 1 33 LYS QD 3.000 . 3.500 2.023 1.918 2.446 . 0 0 "[ . 1 . 2]" 1
165 1 33 LYS QB 1 33 LYS QE 3.000 . 3.500 3.157 1.971 3.505 0.005 2 0 "[ . 1 . 2]" 1
166 1 33 LYS QE 1 33 LYS QG 3.000 . 3.500 2.094 1.930 2.344 . 0 0 "[ . 1 . 2]" 1
167 1 35 LYS H 1 35 LYS HB3 4.000 . 4.750 3.392 3.363 3.724 . 0 0 "[ . 1 . 2]" 1
168 1 35 LYS H 1 35 LYS HB2 3.000 . 3.500 2.237 2.172 2.671 . 0 0 "[ . 1 . 2]" 1
169 1 35 LYS H 1 35 LYS QG 4.000 . 4.750 3.821 2.378 3.953 . 0 0 "[ . 1 . 2]" 1
170 1 35 LYS H 1 35 LYS QD 3.000 . 3.500 3.054 2.830 3.501 0.001 19 0 "[ . 1 . 2]" 1
171 1 35 LYS HA 1 35 LYS HB3 3.000 . 3.500 2.754 2.389 2.775 . 0 0 "[ . 1 . 2]" 1
172 1 35 LYS HA 1 35 LYS QG 3.000 . 3.500 2.205 2.026 3.049 . 0 0 "[ . 1 . 2]" 1
173 1 35 LYS HA 1 35 LYS QD 4.000 . 4.750 2.895 2.031 3.567 . 0 0 "[ . 1 . 2]" 1
174 1 35 LYS HB3 1 35 LYS QD 3.000 . 3.500 3.235 2.723 3.372 . 0 0 "[ . 1 . 2]" 1
175 1 35 LYS HB3 1 35 LYS QE 4.000 . 4.750 4.005 2.096 4.425 . 0 0 "[ . 1 . 2]" 1
176 1 35 LYS HB2 1 35 LYS QD 3.000 . 3.500 2.265 2.055 3.428 . 0 0 "[ . 1 . 2]" 1
177 1 35 LYS HB2 1 35 LYS QE 4.000 . 4.750 3.630 2.548 4.024 . 0 0 "[ . 1 . 2]" 1
178 1 35 LYS QE 1 35 LYS QG 3.000 . 3.500 2.142 1.944 2.512 . 0 0 "[ . 1 . 2]" 1
179 1 37 HIS H 1 37 HIS HB3 4.000 . 4.750 3.615 3.594 3.637 . 0 0 "[ . 1 . 2]" 1
180 1 37 HIS H 1 37 HIS HB2 4.000 . 4.750 2.488 2.408 2.613 . 0 0 "[ . 1 . 2]" 1
181 1 37 HIS H 1 37 HIS HD2 3.000 . 3.500 2.707 2.523 2.966 . 0 0 "[ . 1 . 2]" 1
182 1 37 HIS HA 1 37 HIS HD2 5.000 . 6.000 4.352 4.251 4.550 . 0 0 "[ . 1 . 2]" 1
183 1 37 HIS HB3 1 37 HIS HD2 4.000 . 4.750 3.871 3.808 3.901 . 0 0 "[ . 1 . 2]" 1
184 1 37 HIS HB2 1 37 HIS HD2 4.000 . 4.750 2.774 2.723 2.811 . 0 0 "[ . 1 . 2]" 1
185 1 38 THR H 1 38 THR MG 4.000 . 4.750 2.898 1.907 3.759 . 0 0 "[ . 1 . 2]" 1
186 1 38 THR HA 1 38 THR MG 3.000 . 3.500 2.320 2.124 3.197 . 0 0 "[ . 1 . 2]" 1
187 1 39 ASP H 1 39 ASP HA 3.000 . 3.500 2.795 2.784 2.808 . 0 0 "[ . 1 . 2]" 1
188 1 39 ASP H 1 39 ASP QB 3.000 . 3.500 2.262 2.042 2.565 . 0 0 "[ . 1 . 2]" 1
189 1 40 ALA H 1 40 ALA HA 3.000 . 3.500 2.799 2.785 2.809 . 0 0 "[ . 1 . 2]" 1
190 1 40 ALA H 1 40 ALA MB 3.000 . 3.500 2.098 2.023 2.230 . 0 0 "[ . 1 . 2]" 1
191 1 41 GLU H 1 41 GLU HA 3.000 . 3.500 2.819 2.803 2.830 . 0 0 "[ . 1 . 2]" 1
192 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.156 2.039 2.455 . 0 0 "[ . 1 . 2]" 1
193 1 41 GLU H 1 41 GLU QG 3.000 . 3.500 3.028 2.303 3.519 0.019 14 0 "[ . 1 . 2]" 1
194 1 41 GLU HA 1 41 GLU QG 3.000 . 3.500 2.361 2.036 3.345 . 0 0 "[ . 1 . 2]" 1
195 1 42 ILE H 1 42 ILE HA 3.000 . 3.500 2.832 2.815 2.847 . 0 0 "[ . 1 . 2]" 1
196 1 42 ILE H 1 42 ILE HB 2.500 . 2.800 2.635 2.613 2.656 . 0 0 "[ . 1 . 2]" 1
197 1 42 ILE H 1 42 ILE MD 4.000 . 4.750 3.087 3.036 3.142 . 0 0 "[ . 1 . 2]" 1
198 1 42 ILE HA 1 42 ILE HB 3.000 . 3.500 3.019 3.017 3.021 . 0 0 "[ . 1 . 2]" 1
199 1 42 ILE HA 1 42 ILE MD 4.000 . 4.750 3.924 3.917 3.932 . 0 0 "[ . 1 . 2]" 1
200 1 42 ILE HB 1 42 ILE MD 3.000 . 3.500 2.092 2.071 2.125 . 0 0 "[ . 1 . 2]" 1
201 1 43 GLU H 1 43 GLU HA 3.000 . 3.500 2.826 2.796 2.833 . 0 0 "[ . 1 . 2]" 1
202 1 43 GLU H 1 43 GLU QB 3.000 . 3.500 2.261 2.195 2.544 . 0 0 "[ . 1 . 2]" 1
203 1 43 GLU H 1 43 GLU QG 4.000 . 4.750 3.893 2.246 4.048 . 0 0 "[ . 1 . 2]" 1
204 1 43 GLU HA 1 43 GLU QG 3.000 . 3.500 2.504 2.185 2.596 . 0 0 "[ . 1 . 2]" 1
205 1 44 ALA H 1 44 ALA HA 3.000 . 3.500 2.839 2.830 2.848 . 0 0 "[ . 1 . 2]" 1
206 1 44 ALA H 1 44 ALA MB 3.000 . 3.500 2.141 2.043 2.244 . 0 0 "[ . 1 . 2]" 1
207 1 45 ILE H 1 45 ILE HA 3.000 . 3.500 2.813 2.804 2.822 . 0 0 "[ . 1 . 2]" 1
208 1 45 ILE H 1 45 ILE HB 3.000 . 3.500 2.475 2.419 2.546 . 0 0 "[ . 1 . 2]" 1
209 1 45 ILE H 1 45 ILE MD 5.000 . 6.000 3.524 3.197 3.722 . 0 0 "[ . 1 . 2]" 1
210 1 45 ILE HA 1 45 ILE HB 3.000 . 3.500 3.021 3.015 3.024 . 0 0 "[ . 1 . 2]" 1
211 1 45 ILE HA 1 45 ILE MD 4.000 . 4.750 3.829 3.784 3.881 . 0 0 "[ . 1 . 2]" 1
212 1 46 PHE H 1 46 PHE HA 3.000 . 3.500 2.819 2.817 2.821 . 0 0 "[ . 1 . 2]" 1
213 1 46 PHE H 1 46 PHE QB 3.000 . 3.500 2.080 2.049 2.171 . 0 0 "[ . 1 . 2]" 1
214 1 46 PHE H 1 46 PHE QD 4.000 . 4.750 2.947 2.820 3.620 . 0 0 "[ . 1 . 2]" 1
215 1 46 PHE H 1 46 PHE QE 5.000 . 6.000 5.146 5.088 5.240 . 0 0 "[ . 1 . 2]" 1
216 1 46 PHE HA 1 46 PHE QD 3.000 . 3.500 2.889 1.770 3.022 0.030 4 0 "[ . 1 . 2]" 1
217 1 46 PHE HA 1 46 PHE QE 5.000 . 6.000 4.438 4.097 4.493 . 0 0 "[ . 1 . 2]" 1
218 1 47 THR H 1 47 THR HA 3.000 . 3.500 2.851 2.845 2.858 . 0 0 "[ . 1 . 2]" 1
219 1 47 THR H 1 47 THR HB 3.000 . 3.500 3.134 2.464 3.577 0.077 16 0 "[ . 1 . 2]" 1
220 1 47 THR H 1 47 THR MG 4.000 . 4.750 2.397 2.188 2.682 . 0 0 "[ . 1 . 2]" 1
221 1 47 THR HA 1 47 THR HB 3.000 . 3.500 2.526 2.497 2.562 . 0 0 "[ . 1 . 2]" 1
222 1 47 THR HA 1 47 THR MG 3.000 . 3.500 2.707 2.203 3.230 . 0 0 "[ . 1 . 2]" 1
223 1 48 LYS H 1 48 LYS HA 3.000 . 3.500 2.771 2.762 2.796 . 0 0 "[ . 1 . 2]" 1
224 1 48 LYS H 1 48 LYS QB 3.000 . 3.500 2.206 2.118 2.359 . 0 0 "[ . 1 . 2]" 1
225 1 48 LYS H 1 48 LYS QD 5.000 . 6.000 4.385 4.103 4.738 . 0 0 "[ . 1 . 2]" 1
226 1 48 LYS HA 1 48 LYS QG 3.000 . 3.500 2.427 2.166 3.330 . 0 0 "[ . 1 . 2]" 1
227 1 48 LYS HA 1 48 LYS QD 4.000 . 4.750 3.419 2.057 4.442 . 0 0 "[ . 1 . 2]" 1
228 1 48 LYS QB 1 48 LYS QD 3.000 . 3.500 2.203 2.014 2.577 . 0 0 "[ . 1 . 2]" 1
229 1 49 TYR H 1 49 TYR HA 3.000 . 3.500 2.879 2.876 2.885 . 0 0 "[ . 1 . 2]" 1
230 1 49 TYR H 1 49 TYR HB3 3.000 . 3.500 3.548 3.539 3.562 0.062 6 0 "[ . 1 . 2]" 1
231 1 49 TYR H 1 49 TYR HB2 3.000 . 3.500 2.293 2.270 2.335 . 0 0 "[ . 1 . 2]" 1
232 1 49 TYR H 1 49 TYR QD 3.000 . 3.500 2.775 2.235 3.139 . 0 0 "[ . 1 . 2]" 1
233 1 49 TYR H 1 49 TYR QE 5.000 . 6.000 4.714 4.471 4.838 . 0 0 "[ . 1 . 2]" 1
234 1 49 TYR HA 1 49 TYR HB3 3.000 . 3.500 2.555 2.520 2.592 . 0 0 "[ . 1 . 2]" 1
235 1 49 TYR HA 1 49 TYR QD 3.000 . 3.500 2.652 2.253 3.060 . 0 0 "[ . 1 . 2]" 1
236 1 49 TYR HA 1 49 TYR QE 4.000 . 4.750 4.430 4.300 4.572 . 0 0 "[ . 1 . 2]" 1
237 1 49 TYR HB3 1 49 TYR QD 3.000 . 3.500 2.498 2.338 2.637 . 0 0 "[ . 1 . 2]" 1
238 1 49 TYR HB2 1 49 TYR QD 3.000 . 3.500 2.339 2.286 2.492 . 0 0 "[ . 1 . 2]" 1
239 1 50 ASP H 1 50 ASP HB3 3.000 . 3.500 2.741 2.587 2.837 . 0 0 "[ . 1 . 2]" 1
240 1 50 ASP H 1 50 ASP HB2 3.000 . 3.500 2.429 2.374 2.535 . 0 0 "[ . 1 . 2]" 1
241 1 51 GLN H 1 51 GLN HA 3.000 . 3.500 2.802 2.765 2.829 . 0 0 "[ . 1 . 2]" 1
242 1 51 GLN H 1 51 GLN QB 3.000 . 3.500 2.265 2.065 2.639 . 0 0 "[ . 1 . 2]" 1
243 1 51 GLN H 1 51 GLN QG 3.000 . 3.500 2.677 1.943 3.204 . 0 0 "[ . 1 . 2]" 1
244 1 51 GLN HA 1 51 GLN QG 3.000 . 3.500 2.520 2.007 3.338 . 0 0 "[ . 1 . 2]" 1
245 1 51 GLN QB 1 51 GLN HE21 3.000 . 3.500 2.312 1.975 2.737 . 0 0 "[ . 1 . 2]" 1
246 1 51 GLN QB 1 51 GLN HE22 3.000 . 3.500 3.359 3.240 3.503 0.003 14 0 "[ . 1 . 2]" 1
247 1 51 GLN HE22 1 51 GLN QG 3.000 . 3.500 3.373 3.318 3.421 . 0 0 "[ . 1 . 2]" 1
248 1 52 ASP H 1 52 ASP HB3 3.000 . 3.500 2.773 2.677 2.877 . 0 0 "[ . 1 . 2]" 1
249 1 52 ASP H 1 52 ASP HB2 4.000 . 4.750 3.595 3.577 3.620 . 0 0 "[ . 1 . 2]" 1
250 1 52 ASP HA 1 52 ASP HB3 2.500 . 2.800 2.395 2.362 2.427 . 0 0 "[ . 1 . 2]" 1
251 1 52 ASP HA 1 52 ASP HB2 3.000 . 3.500 2.515 2.479 2.550 . 0 0 "[ . 1 . 2]" 1
252 1 54 ASP H 1 54 ASP HA 3.000 . 3.500 2.914 2.890 2.929 . 0 0 "[ . 1 . 2]" 1
253 1 54 ASP H 1 54 ASP HB3 3.000 . 3.500 2.782 2.681 2.862 . 0 0 "[ . 1 . 2]" 1
254 1 54 ASP H 1 54 ASP HB2 4.000 . 4.750 3.654 3.618 3.690 . 0 0 "[ . 1 . 2]" 1
255 1 54 ASP HA 1 54 ASP HB3 3.000 . 3.500 2.453 2.420 2.489 . 0 0 "[ . 1 . 2]" 1
256 1 54 ASP HA 1 54 ASP HB2 3.000 . 3.500 2.453 2.420 2.485 . 0 0 "[ . 1 . 2]" 1
257 1 55 GLN H 1 55 GLN QG 4.000 . 4.750 3.130 2.598 3.838 . 0 0 "[ . 1 . 2]" 1
258 1 56 GLU H 1 56 GLU HB3 3.000 . 3.500 3.050 2.878 3.219 . 0 0 "[ . 1 . 2]" 1
259 1 56 GLU H 1 56 GLU HB2 3.000 . 3.500 3.064 2.899 3.273 . 0 0 "[ . 1 . 2]" 1
260 1 56 GLU H 1 56 GLU QG 4.000 . 4.750 4.186 4.142 4.208 . 0 0 "[ . 1 . 2]" 1
261 1 57 LEU H 1 57 LEU HB3 4.000 . 4.750 3.048 3.029 3.085 . 0 0 "[ . 1 . 2]" 1
262 1 57 LEU H 1 57 LEU HB2 4.000 . 4.750 2.442 2.362 2.548 . 0 0 "[ . 1 . 2]" 1
263 1 57 LEU H 1 57 LEU HG 5.000 . 6.000 4.749 4.714 4.816 . 0 0 "[ . 1 . 2]" 1
264 1 57 LEU H 1 57 LEU MD1 5.000 . 6.000 3.661 3.593 3.819 . 0 0 "[ . 1 . 2]" 1
265 1 57 LEU H 1 57 LEU MD2 5.000 . 6.000 4.331 4.278 4.362 . 0 0 "[ . 1 . 2]" 1
266 1 57 LEU HA 1 57 LEU HG 4.000 . 4.750 2.885 2.805 2.985 . 0 0 "[ . 1 . 2]" 1
267 1 57 LEU HA 1 57 LEU MD1 4.000 . 4.750 1.895 1.855 1.975 . 0 0 "[ . 1 . 2]" 1
268 1 57 LEU HA 1 57 LEU MD2 4.000 . 4.750 3.742 3.714 3.764 . 0 0 "[ . 1 . 2]" 1
269 1 57 LEU HB3 1 57 LEU HG 3.000 . 3.500 2.373 2.338 2.404 . 0 0 "[ . 1 . 2]" 1
270 1 57 LEU HB3 1 57 LEU MD2 3.000 . 3.500 2.399 2.331 2.486 . 0 0 "[ . 1 . 2]" 1
271 1 57 LEU HB2 1 57 LEU HG 3.000 . 3.500 3.010 2.999 3.017 . 0 0 "[ . 1 . 2]" 1
272 1 58 THR H 1 58 THR MG 4.000 . 4.750 3.329 2.947 3.900 . 0 0 "[ . 1 . 2]" 1
273 1 59 GLU H 1 59 GLU HA 3.000 . 3.500 2.754 2.734 2.773 . 0 0 "[ . 1 . 2]" 1
274 1 59 GLU H 1 59 GLU QB 3.000 . 3.500 2.252 2.043 2.683 . 0 0 "[ . 1 . 2]" 1
275 1 59 GLU H 1 59 GLU QG 4.000 . 4.750 3.190 2.045 4.035 . 0 0 "[ . 1 . 2]" 1
276 1 59 GLU HA 1 59 GLU QG 3.000 . 3.500 2.480 2.019 3.333 . 0 0 "[ . 1 . 2]" 1
277 1 60 HIS H 1 60 HIS HD2 5.000 . 6.000 5.342 5.162 5.461 . 0 0 "[ . 1 . 2]" 1
278 1 60 HIS HA 1 60 HIS HD2 5.000 . 6.000 3.619 3.241 3.975 . 0 0 "[ . 1 . 2]" 1
279 1 61 GLU H 1 61 GLU HA 3.000 . 3.500 2.814 2.810 2.831 . 0 0 "[ . 1 . 2]" 1
280 1 61 GLU H 1 61 GLU QB 3.000 . 3.500 2.195 2.068 2.588 . 0 0 "[ . 1 . 2]" 1
281 1 61 GLU H 1 61 GLU QG 3.000 . 3.500 2.915 1.984 3.390 . 0 0 "[ . 1 . 2]" 1
282 1 61 GLU HA 1 61 GLU QG 3.000 . 3.500 2.239 2.061 2.529 . 0 0 "[ . 1 . 2]" 1
283 1 62 HIS H 1 62 HIS HB3 3.000 . 3.500 2.756 2.631 3.037 . 0 0 "[ . 1 . 2]" 1
284 1 62 HIS H 1 62 HIS HB2 3.000 . 3.500 2.359 2.166 2.467 . 0 0 "[ . 1 . 2]" 1
285 1 62 HIS H 1 62 HIS HD2 5.000 . 6.000 4.831 4.295 5.023 . 0 0 "[ . 1 . 2]" 1
286 1 62 HIS HA 1 62 HIS HD2 5.000 . 6.000 3.291 2.967 3.636 . 0 0 "[ . 1 . 2]" 1
287 1 62 HIS HB3 1 62 HIS HD2 4.000 . 4.750 3.892 3.801 3.954 . 0 0 "[ . 1 . 2]" 1
288 1 62 HIS HB2 1 62 HIS HD2 4.000 . 4.750 2.809 2.721 2.941 . 0 0 "[ . 1 . 2]" 1
289 1 63 GLN H 1 63 GLN HA 3.000 . 3.500 2.788 2.783 2.807 . 0 0 "[ . 1 . 2]" 1
290 1 63 GLN H 1 63 GLN HB3 3.000 . 3.500 2.774 2.531 3.113 . 0 0 "[ . 1 . 2]" 1
291 1 63 GLN H 1 63 GLN HB2 3.000 . 3.500 2.320 2.094 2.518 . 0 0 "[ . 1 . 2]" 1
292 1 63 GLN H 1 63 GLN QG 4.000 . 4.750 3.897 3.629 4.057 . 0 0 "[ . 1 . 2]" 1
293 1 63 GLN HA 1 63 GLN HB2 3.000 . 3.500 2.575 2.448 2.752 . 0 0 "[ . 1 . 2]" 1
294 1 63 GLN HA 1 63 GLN HE21 5.000 . 6.000 2.786 1.985 3.577 . 0 0 "[ . 1 . 2]" 1
295 1 63 GLN HA 1 63 GLN HE22 5.000 . 6.000 3.635 3.073 4.556 . 0 0 "[ . 1 . 2]" 1
296 1 63 GLN HA 1 63 GLN QG 3.000 . 3.500 2.644 2.138 3.013 . 0 0 "[ . 1 . 2]" 1
297 1 63 GLN HB3 1 63 GLN HE22 5.000 . 6.000 4.700 3.586 5.138 . 0 0 "[ . 1 . 2]" 1
298 1 63 GLN HB2 1 63 GLN HE22 5.000 . 6.000 4.809 4.427 5.318 . 0 0 "[ . 1 . 2]" 1
299 1 63 GLN HE21 1 63 GLN QG 3.000 . 3.500 2.194 2.091 2.664 . 0 0 "[ . 1 . 2]" 1
300 1 63 GLN HE22 1 63 GLN QG 3.000 . 3.500 3.282 3.224 3.442 . 0 0 "[ . 1 . 2]" 1
301 1 64 GLN H 1 64 GLN QB 3.000 . 3.500 2.250 2.146 2.355 . 0 0 "[ . 1 . 2]" 1
302 1 64 GLN H 1 64 GLN QG 4.000 . 4.750 3.944 2.592 4.052 . 0 0 "[ . 1 . 2]" 1
303 1 64 GLN HA 1 64 GLN HE21 4.000 . 4.750 3.165 2.231 3.985 . 0 0 "[ . 1 . 2]" 1
304 1 64 GLN HA 1 64 GLN QG 3.000 . 3.500 2.971 2.573 3.381 . 0 0 "[ . 1 . 2]" 1
305 1 64 GLN HE21 1 64 GLN QG 3.000 . 3.500 2.154 2.094 2.697 . 0 0 "[ . 1 . 2]" 1
306 1 64 GLN HE22 1 64 GLN QG 3.000 . 3.500 3.262 3.219 3.453 . 0 0 "[ . 1 . 2]" 1
307 1 65 MET H 1 65 MET QB 3.000 . 3.500 2.347 2.028 2.683 . 0 0 "[ . 1 . 2]" 1
308 1 65 MET H 1 65 MET QG 4.000 . 4.750 3.201 1.866 3.971 . 0 0 "[ . 1 . 2]" 1
309 1 65 MET HA 1 65 MET ME 5.000 . 6.000 4.114 3.457 4.863 . 0 0 "[ . 1 . 2]" 1
310 1 65 MET QB 1 65 MET ME 4.000 . 4.750 2.561 1.868 3.587 . 0 0 "[ . 1 . 2]" 1
311 1 66 ARG H 1 66 ARG QB 3.000 . 3.500 2.254 2.061 2.669 . 0 0 "[ . 1 . 2]" 1
312 1 66 ARG H 1 66 ARG QG 4.000 . 4.750 3.004 1.962 3.595 . 0 0 "[ . 1 . 2]" 1
313 1 66 ARG HA 1 66 ARG QG 3.000 . 3.500 2.279 2.025 3.348 . 0 0 "[ . 1 . 2]" 1
314 1 66 ARG HA 1 66 ARG QD 4.000 . 4.750 3.596 2.969 4.116 . 0 0 "[ . 1 . 2]" 1
315 1 66 ARG QB 1 66 ARG HE 4.000 . 4.750 3.554 1.971 4.334 . 0 0 "[ . 1 . 2]" 1
316 1 66 ARG QB 1 66 ARG QD 3.000 . 3.500 2.057 1.912 2.415 . 0 0 "[ . 1 . 2]" 1
317 1 67 ASP H 1 67 ASP HA 3.000 . 3.500 2.823 2.817 2.826 . 0 0 "[ . 1 . 2]" 1
318 1 67 ASP H 1 67 ASP QB 3.000 . 3.500 2.111 2.053 2.317 . 0 0 "[ . 1 . 2]" 1
319 1 68 ASP H 1 68 ASP HA 3.000 . 3.500 2.805 2.784 2.834 . 0 0 "[ . 1 . 2]" 1
320 1 68 ASP H 1 68 ASP QB 3.000 . 3.500 2.117 2.050 2.231 . 0 0 "[ . 1 . 2]" 1
321 1 69 LEU H 1 69 LEU HA 3.000 . 3.500 2.822 2.781 2.850 . 0 0 "[ . 1 . 2]" 1
322 1 69 LEU H 1 69 LEU HB3 3.000 . 3.500 3.017 2.894 3.101 . 0 0 "[ . 1 . 2]" 1
323 1 69 LEU H 1 69 LEU HB2 3.000 . 3.500 2.128 2.079 2.197 . 0 0 "[ . 1 . 2]" 1
324 1 69 LEU H 1 69 LEU HG 4.000 . 4.750 4.164 3.936 4.529 . 0 0 "[ . 1 . 2]" 1
325 1 69 LEU H 1 69 LEU MD1 5.000 . 6.000 3.764 3.381 4.146 . 0 0 "[ . 1 . 2]" 1
326 1 69 LEU H 1 69 LEU MD2 4.000 . 4.750 4.341 3.363 4.460 . 0 0 "[ . 1 . 2]" 1
327 1 69 LEU HA 1 69 LEU HB3 3.000 . 3.500 2.941 2.918 2.979 . 0 0 "[ . 1 . 2]" 1
328 1 69 LEU HA 1 69 LEU HB2 3.000 . 3.500 2.719 2.646 2.747 . 0 0 "[ . 1 . 2]" 1
329 1 69 LEU HA 1 69 LEU HG 3.000 . 3.500 2.284 2.098 3.594 0.094 12 0 "[ . 1 . 2]" 1
330 1 69 LEU HA 1 69 LEU MD1 4.000 . 4.750 3.278 1.937 3.687 . 0 0 "[ . 1 . 2]" 1
331 1 69 LEU HA 1 69 LEU MD2 4.000 . 4.750 3.092 2.261 3.716 . 0 0 "[ . 1 . 2]" 1
332 1 69 LEU HB3 1 69 LEU HG 3.000 . 3.500 2.879 2.351 3.008 . 0 0 "[ . 1 . 2]" 1
333 1 69 LEU HB3 1 69 LEU MD1 3.000 . 3.500 2.763 2.456 3.092 . 0 0 "[ . 1 . 2]" 1
334 1 69 LEU HB3 1 69 LEU MD2 3.000 . 3.500 2.182 1.942 3.158 . 0 0 "[ . 1 . 2]" 1
335 1 69 LEU HB2 1 69 LEU HG 3.000 . 3.500 2.728 2.524 2.963 . 0 0 "[ . 1 . 2]" 1
336 1 69 LEU HB2 1 69 LEU MD1 3.000 . 3.500 2.129 1.927 3.194 . 0 0 "[ . 1 . 2]" 1
337 1 70 GLU H 1 70 GLU HA 3.000 . 3.500 2.856 2.835 2.871 . 0 0 "[ . 1 . 2]" 1
338 1 70 GLU H 1 70 GLU QB 3.000 . 3.500 2.242 2.055 2.662 . 0 0 "[ . 1 . 2]" 1
339 1 70 GLU H 1 70 GLU QG 4.000 . 4.750 3.011 1.953 3.988 . 0 0 "[ . 1 . 2]" 1
340 1 70 GLU HA 1 70 GLU QG 3.000 . 3.500 2.365 2.055 3.338 . 0 0 "[ . 1 . 2]" 1
341 1 71 LYS H 1 71 LYS HA 3.000 . 3.500 2.833 2.787 2.873 . 0 0 "[ . 1 . 2]" 1
342 1 71 LYS H 1 71 LYS QB 3.000 . 3.500 2.294 2.047 2.750 . 0 0 "[ . 1 . 2]" 1
343 1 71 LYS H 1 71 LYS QG 3.000 . 3.500 2.750 1.905 3.503 0.003 11 0 "[ . 1 . 2]" 1
344 1 71 LYS HA 1 71 LYS QG 3.000 . 3.500 2.536 2.018 3.380 . 0 0 "[ . 1 . 2]" 1
345 1 71 LYS HA 1 71 LYS QD 4.000 . 4.750 3.652 2.599 4.325 . 0 0 "[ . 1 . 2]" 1
346 1 71 LYS QB 1 71 LYS QD 3.000 . 3.500 2.034 1.928 2.140 . 0 0 "[ . 1 . 2]" 1
347 1 71 LYS QB 1 71 LYS QE 4.000 . 4.750 3.047 2.442 3.591 . 0 0 "[ . 1 . 2]" 1
348 1 71 LYS QE 1 71 LYS QG 3.000 . 3.500 2.085 1.935 2.284 . 0 0 "[ . 1 . 2]" 1
349 1 72 GLU H 1 72 GLU HA 3.000 . 3.500 2.872 2.804 2.931 . 0 0 "[ . 1 . 2]" 1
350 1 72 GLU H 1 72 GLU QB 3.000 . 3.500 2.390 2.214 2.735 . 0 0 "[ . 1 . 2]" 1
351 1 72 GLU H 1 72 GLU QG 4.000 . 4.750 3.295 1.942 4.048 . 0 0 "[ . 1 . 2]" 1
352 1 72 GLU HA 1 72 GLU QG 3.000 . 3.500 2.917 2.492 3.200 . 0 0 "[ . 1 . 2]" 1
353 1 73 ARG H 1 73 ARG QB 3.000 . 3.500 2.956 2.493 3.190 . 0 0 "[ . 1 . 2]" 1
354 1 73 ARG H 1 73 ARG QG 4.000 . 4.750 2.119 1.861 2.477 . 0 0 "[ . 1 . 2]" 1
355 1 73 ARG HA 1 73 ARG QG 3.000 . 3.500 3.227 2.511 3.378 . 0 0 "[ . 1 . 2]" 1
356 1 73 ARG QB 1 73 ARG HE 4.000 . 4.750 3.191 2.313 4.161 . 0 0 "[ . 1 . 2]" 1
357 1 73 ARG QB 1 73 ARG QD 3.000 . 3.500 2.140 1.914 2.468 . 0 0 "[ . 1 . 2]" 1
358 1 74 GLU H 1 74 GLU HA 3.000 . 3.500 2.838 2.282 2.948 . 0 0 "[ . 1 . 2]" 1
359 1 74 GLU H 1 74 GLU QB 3.000 . 3.500 2.573 2.084 3.069 . 0 0 "[ . 1 . 2]" 1
360 1 74 GLU H 1 74 GLU QG 4.000 . 4.750 3.361 1.965 4.311 . 0 0 "[ . 1 . 2]" 1
361 1 75 ASP H 1 75 ASP HA 3.000 . 3.500 2.733 2.274 2.948 . 0 0 "[ . 1 . 2]" 1
362 1 75 ASP H 1 75 ASP QB 3.000 . 3.500 2.912 2.464 3.442 . 0 0 "[ . 1 . 2]" 1
363 1 76 LEU H 1 76 LEU HA 3.000 . 3.500 2.756 2.270 2.945 . 0 0 "[ . 1 . 2]" 1
364 1 76 LEU H 1 76 LEU HG 4.000 . 4.750 3.883 1.999 4.717 . 0 0 "[ . 1 . 2]" 1
365 1 76 LEU H 1 76 LEU QB 3.000 . 3.500 2.620 2.050 3.273 . 0 0 "[ . 1 . 2]" 1
366 1 76 LEU HA 1 76 LEU HG 4.000 . 4.750 2.598 2.163 3.699 . 0 0 "[ . 1 . 2]" 1
367 1 76 LEU HA 1 76 LEU QD 4.000 . 4.750 2.699 1.951 3.442 . 0 0 "[ . 1 . 2]" 1
368 1 77 ASP H 1 77 ASP HA 3.000 . 3.500 2.854 2.275 2.947 . 0 0 "[ . 1 . 2]" 1
369 1 77 ASP H 1 77 ASP QB 3.000 . 3.500 2.695 2.051 3.445 . 0 0 "[ . 1 . 2]" 1
370 1 78 LEU H 1 78 LEU HG 3.000 . 3.500 2.917 1.798 3.509 0.009 4 0 "[ . 1 . 2]" 1
371 1 78 LEU H 1 78 LEU QB 3.000 . 3.500 2.733 2.228 3.458 . 0 0 "[ . 1 . 2]" 1
372 1 78 LEU HA 1 78 LEU HG 3.000 . 3.500 2.941 2.378 3.582 0.082 4 0 "[ . 1 . 2]" 1
373 1 78 LEU HA 1 78 LEU QD 4.000 . 4.750 2.637 1.976 3.456 . 0 0 "[ . 1 . 2]" 1
374 1 79 ASP H 1 79 ASP HA 3.000 . 3.500 2.721 2.272 2.944 . 0 0 "[ . 1 . 2]" 1
375 1 79 ASP H 1 79 ASP QB 3.000 . 3.500 2.657 2.149 3.310 . 0 0 "[ . 1 . 2]" 1
376 1 2 GLY QA 1 3 SER H 3.000 . 3.500 2.391 2.108 2.918 . 0 0 "[ . 1 . 2]" 1
377 1 3 SER H 1 4 LEU MD2 5.000 . 6.000 5.472 4.226 6.010 0.010 20 0 "[ . 1 . 2]" 1
378 1 3 SER HA 1 4 LEU H 3.000 . 3.500 2.974 2.158 3.552 0.052 3 0 "[ . 1 . 2]" 1
379 1 3 SER QB 1 4 LEU H 3.000 . 3.500 2.559 1.875 3.579 0.079 18 0 "[ . 1 . 2]" 1
380 1 4 LEU H 1 5 LYS H 4.000 . 4.750 4.433 4.248 4.620 . 0 0 "[ . 1 . 2]" 1
381 1 4 LEU HA 1 5 LYS H 3.000 . 3.500 2.321 2.197 2.544 . 0 0 "[ . 1 . 2]" 1
382 1 4 LEU HB3 1 5 LYS H 3.000 . 3.500 2.677 2.101 3.057 . 0 0 "[ . 1 . 2]" 1
383 1 4 LEU HB2 1 5 LYS H 3.000 . 3.500 3.517 3.416 3.604 0.104 6 0 "[ . 1 . 2]" 1
384 1 4 LEU MD2 1 5 LYS H 4.000 . 4.750 4.055 3.179 4.567 . 0 0 "[ . 1 . 2]" 1
385 1 5 LYS H 1 6 LYS H 5.000 . 6.000 4.409 4.025 4.505 . 0 0 "[ . 1 . 2]" 1
386 1 5 LYS HA 1 6 LYS H 3.000 . 3.500 2.213 2.146 2.373 . 0 0 "[ . 1 . 2]" 1
387 1 5 LYS QB 1 6 LYS H 4.000 . 4.750 3.270 2.521 3.848 . 0 0 "[ . 1 . 2]" 1
388 1 5 LYS QG 1 6 LYS H 4.000 . 4.750 3.316 1.940 4.708 . 0 0 "[ . 1 . 2]" 1
389 1 5 LYS QD 1 6 LYS H 5.000 . 6.000 4.480 2.576 5.616 . 0 0 "[ . 1 . 2]" 1
390 1 6 LYS H 1 7 ASN H 4.000 . 4.750 2.710 2.671 2.801 . 0 0 "[ . 1 . 2]" 1
391 1 6 LYS HA 1 7 ASN H 4.000 . 4.750 3.463 3.429 3.505 . 0 0 "[ . 1 . 2]" 1
392 1 6 LYS QB 1 7 ASN H 3.000 . 3.500 3.132 2.721 3.546 0.046 15 0 "[ . 1 . 2]" 1
393 1 6 LYS QG 1 7 ASN H 5.000 . 6.000 3.746 2.184 4.623 . 0 0 "[ . 1 . 2]" 1
394 1 6 LYS QD 1 7 ASN H 5.000 . 6.000 4.623 2.811 5.401 . 0 0 "[ . 1 . 2]" 1
395 1 7 ASN H 1 8 THR H 4.000 . 4.750 2.622 2.516 2.799 . 0 0 "[ . 1 . 2]" 1
396 1 7 ASN H 1 8 THR HB 5.000 . 6.000 5.420 4.773 6.010 0.010 12 0 "[ . 1 . 2]" 1
397 1 7 ASN HA 1 8 THR H 5.000 . 6.000 3.523 3.467 3.566 . 0 0 "[ . 1 . 2]" 1
398 1 7 ASN QB 1 8 THR H 5.000 . 6.000 2.750 2.374 3.623 . 0 0 "[ . 1 . 2]" 1
399 1 8 THR H 1 9 VAL H 4.000 . 4.750 2.654 2.539 2.768 . 0 0 "[ . 1 . 2]" 1
400 1 8 THR HA 1 9 VAL H 3.000 . 3.500 3.536 3.463 3.551 0.051 5 0 "[ . 1 . 2]" 1
401 1 8 THR HB 1 9 VAL H 4.000 . 4.750 2.626 2.347 3.087 . 0 0 "[ . 1 . 2]" 1
402 1 9 VAL H 1 10 ASP H 3.000 . 3.500 2.769 2.563 2.852 . 0 0 "[ . 1 . 2]" 1
403 1 9 VAL HA 1 10 ASP H 4.000 . 4.750 3.534 3.511 3.561 . 0 0 "[ . 1 . 2]" 1
404 1 9 VAL HB 1 10 ASP H 3.000 . 3.500 2.641 2.413 2.807 . 0 0 "[ . 1 . 2]" 1
405 1 10 ASP H 1 11 ASP H 3.000 . 3.500 2.669 2.498 2.869 . 0 0 "[ . 1 . 2]" 1
406 1 10 ASP HA 1 11 ASP H 5.000 . 6.000 3.535 3.490 3.594 . 0 0 "[ . 1 . 2]" 1
407 1 10 ASP QB 1 11 ASP H 3.000 . 3.500 2.696 2.535 2.894 . 0 0 "[ . 1 . 2]" 1
408 1 11 ASP H 1 12 ILE H 3.000 . 3.500 2.633 2.576 2.713 . 0 0 "[ . 1 . 2]" 1
409 1 11 ASP H 1 12 ILE MD 5.000 . 6.000 4.449 4.004 5.063 . 0 0 "[ . 1 . 2]" 1
410 1 11 ASP HA 1 12 ILE H 4.000 . 4.750 3.539 3.518 3.560 . 0 0 "[ . 1 . 2]" 1
411 1 11 ASP QB 1 12 ILE H 3.000 . 3.500 2.641 2.423 3.298 . 0 0 "[ . 1 . 2]" 1
412 1 12 ILE H 1 13 SER H 2.500 . 2.800 2.551 2.502 2.682 . 0 0 "[ . 1 . 2]" 1
413 1 12 ILE H 1 13 SER HA 5.000 . 6.000 5.164 5.112 5.275 . 0 0 "[ . 1 . 2]" 1
414 1 12 ILE H 1 13 SER QB 5.000 . 6.000 4.366 4.199 4.832 . 0 0 "[ . 1 . 2]" 1
415 1 12 ILE HA 1 13 SER H 5.000 . 6.000 3.527 3.512 3.551 . 0 0 "[ . 1 . 2]" 1
416 1 12 ILE HB 1 13 SER H 3.000 . 3.500 2.609 2.423 2.680 . 0 0 "[ . 1 . 2]" 1
417 1 12 ILE MD 1 13 SER H 5.000 . 6.000 4.070 3.886 4.640 . 0 0 "[ . 1 . 2]" 1
418 1 13 SER HA 1 14 GLU H 3.000 . 3.500 3.549 3.518 3.562 0.062 2 0 "[ . 1 . 2]" 1
419 1 13 SER QB 1 14 GLU H 4.000 . 4.750 2.585 2.406 3.311 . 0 0 "[ . 1 . 2]" 1
420 1 14 GLU HA 1 15 SER H 3.000 . 3.500 3.551 3.540 3.559 0.059 17 0 "[ . 1 . 2]" 1
421 1 14 GLU QB 1 15 SER H 3.000 . 3.500 3.027 2.360 3.414 . 0 0 "[ . 1 . 2]" 1
422 1 14 GLU QG 1 15 SER H 3.000 . 3.500 2.305 1.877 3.557 0.057 2 0 "[ . 1 . 2]" 1
423 1 15 SER H 1 16 LEU H 3.000 . 3.500 2.591 2.454 2.789 . 0 0 "[ . 1 . 2]" 1
424 1 15 SER HA 1 16 LEU H 4.000 . 4.750 3.502 3.489 3.527 . 0 0 "[ . 1 . 2]" 1
425 1 15 SER QB 1 16 LEU H 4.000 . 4.750 2.765 2.701 2.823 . 0 0 "[ . 1 . 2]" 1
426 1 15 SER QB 1 16 LEU MD2 5.000 . 6.000 5.641 4.820 6.002 0.002 1 0 "[ . 1 . 2]" 1
427 1 16 LEU H 1 17 ARG H 3.000 . 3.500 2.548 2.526 2.574 . 0 0 "[ . 1 . 2]" 1
428 1 16 LEU HA 1 17 ARG H 3.000 . 3.500 3.511 3.502 3.524 0.024 9 0 "[ . 1 . 2]" 1
429 1 16 LEU HB3 1 17 ARG H 3.000 . 3.500 2.757 2.530 2.849 . 0 0 "[ . 1 . 2]" 1
430 1 16 LEU HB2 1 17 ARG H 4.000 . 4.750 3.529 3.384 3.905 . 0 0 "[ . 1 . 2]" 1
431 1 16 LEU HG 1 17 ARG H 4.000 . 4.750 4.791 4.779 4.801 0.051 12 0 "[ . 1 . 2]" 1
432 1 16 LEU MD1 1 17 ARG H 5.000 . 6.000 4.373 2.896 4.872 . 0 0 "[ . 1 . 2]" 1
433 1 16 LEU MD2 1 17 ARG H 5.000 . 6.000 4.337 4.245 4.427 . 0 0 "[ . 1 . 2]" 1
434 1 17 ARG H 1 18 GLN H 2.500 . 2.800 2.581 2.506 2.639 . 0 0 "[ . 1 . 2]" 1
435 1 17 ARG H 1 18 GLN QG 5.000 . 6.000 5.396 3.760 5.917 . 0 0 "[ . 1 . 2]" 1
436 1 17 ARG HA 1 18 GLN H 3.000 . 3.500 3.497 3.492 3.504 0.004 2 0 "[ . 1 . 2]" 1
437 1 17 ARG QB 1 18 GLN H 3.000 . 3.500 2.818 2.764 2.881 . 0 0 "[ . 1 . 2]" 1
438 1 17 ARG QG 1 18 GLN H 5.000 . 6.000 4.388 4.132 4.636 . 0 0 "[ . 1 . 2]" 1
439 1 18 GLN H 1 19 GLY H 3.000 . 3.500 2.537 2.398 2.699 . 0 0 "[ . 1 . 2]" 1
440 1 18 GLN HA 1 19 GLY H 3.000 . 3.500 3.499 3.472 3.531 0.031 18 0 "[ . 1 . 2]" 1
441 1 19 GLY QA 1 20 GLY H 4.000 . 4.750 2.921 2.916 2.939 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLY H 1 21 GLY H 3.000 . 3.500 2.298 2.146 2.471 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLY QA 1 21 GLY H 4.000 . 4.750 2.725 2.638 2.862 . 0 0 "[ . 1 . 2]" 1
444 1 21 GLY H 1 22 LYS H 4.000 . 4.750 3.079 2.688 3.517 . 0 0 "[ . 1 . 2]" 1
445 1 21 GLY QA 1 22 LYS H 5.000 . 6.000 2.785 2.607 2.945 . 0 0 "[ . 1 . 2]" 1
446 1 22 LYS H 1 23 LEU H 5.000 . 6.000 4.305 4.109 4.525 . 0 0 "[ . 1 . 2]" 1
447 1 22 LYS HA 1 23 LEU H 3.000 . 3.500 2.166 2.143 2.252 . 0 0 "[ . 1 . 2]" 1
448 1 22 LYS QB 1 23 LEU H 3.000 . 3.500 3.142 2.744 3.526 0.026 13 0 "[ . 1 . 2]" 1
449 1 22 LYS QG 1 23 LEU H 4.000 . 4.750 4.009 2.743 4.370 . 0 0 "[ . 1 . 2]" 1
450 1 23 LEU H 1 24 ASN H 5.000 . 6.000 4.348 4.284 4.384 . 0 0 "[ . 1 . 2]" 1
451 1 23 LEU HA 1 24 ASN H 4.000 . 4.750 2.306 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
452 1 23 LEU MD1 1 24 ASN H 5.000 . 6.000 4.747 2.970 4.960 . 0 0 "[ . 1 . 2]" 1
453 1 23 LEU MD2 1 24 ASN H 5.000 . 6.000 3.580 2.967 4.345 . 0 0 "[ . 1 . 2]" 1
454 1 23 LEU QB 1 24 ASN H 4.000 . 4.750 2.676 2.483 3.085 . 0 0 "[ . 1 . 2]" 1
455 1 24 ASN H 1 25 PHE H 4.000 . 4.750 4.541 4.469 4.573 . 0 0 "[ . 1 . 2]" 1
456 1 24 ASN HA 1 25 PHE H 3.000 . 3.500 2.441 2.391 2.564 . 0 0 "[ . 1 . 2]" 1
457 1 24 ASN HA 1 25 PHE QD 5.000 . 6.000 4.991 4.224 5.127 . 0 0 "[ . 1 . 2]" 1
458 1 24 ASN HD21 1 25 PHE H 5.000 . 6.000 5.344 5.190 5.440 . 0 0 "[ . 1 . 2]" 1
459 1 24 ASN HD22 1 25 PHE H 5.000 . 6.000 5.908 5.618 6.008 0.008 7 0 "[ . 1 . 2]" 1
460 1 24 ASN QB 1 25 PHE H 3.000 . 3.500 2.278 2.089 2.378 . 0 0 "[ . 1 . 2]" 1
461 1 25 PHE HA 1 26 ASP H 3.000 . 3.500 3.541 3.535 3.560 0.060 4 0 "[ . 1 . 2]" 1
462 1 25 PHE HB3 1 26 ASP H 3.000 . 3.500 2.708 2.546 2.841 . 0 0 "[ . 1 . 2]" 1
463 1 25 PHE HB2 1 26 ASP H 3.000 . 3.500 3.051 2.759 3.118 . 0 0 "[ . 1 . 2]" 1
464 1 25 PHE QD 1 26 ASP H 4.000 . 4.750 4.446 4.346 4.484 . 0 0 "[ . 1 . 2]" 1
465 1 25 PHE QD 1 26 ASP HA 5.000 . 6.000 4.669 4.512 5.186 . 0 0 "[ . 1 . 2]" 1
466 1 26 ASP H 1 27 GLU QG 5.000 . 6.000 5.147 4.739 5.375 . 0 0 "[ . 1 . 2]" 1
467 1 26 ASP HA 1 27 GLU H 3.000 . 3.500 3.556 3.551 3.562 0.062 12 0 "[ . 1 . 2]" 1
468 1 26 ASP QB 1 27 GLU H 3.000 . 3.500 2.643 2.553 3.250 . 0 0 "[ . 1 . 2]" 1
469 1 27 GLU HA 1 28 LEU H 3.000 . 3.500 3.548 3.542 3.550 0.050 6 0 "[ . 1 . 2]" 1
470 1 27 GLU HB3 1 28 LEU H 3.000 . 3.500 3.187 3.087 3.382 . 0 0 "[ . 1 . 2]" 1
471 1 27 GLU HB2 1 28 LEU H 3.000 . 3.500 2.786 2.647 2.880 . 0 0 "[ . 1 . 2]" 1
472 1 27 GLU QG 1 28 LEU H 4.000 . 4.750 4.336 4.222 4.404 . 0 0 "[ . 1 . 2]" 1
473 1 28 LEU H 1 29 ARG H 3.000 . 3.500 2.608 2.548 2.662 . 0 0 "[ . 1 . 2]" 1
474 1 28 LEU HA 1 29 ARG H 5.000 . 6.000 3.527 3.509 3.539 . 0 0 "[ . 1 . 2]" 1
475 1 28 LEU HB2 1 29 ARG H 4.000 . 4.750 3.333 3.292 3.375 . 0 0 "[ . 1 . 2]" 1
476 1 28 LEU MD1 1 29 ARG H 5.000 . 6.000 4.580 4.548 4.614 . 0 0 "[ . 1 . 2]" 1
477 1 28 LEU MD2 1 29 ARG H 5.000 . 6.000 4.608 4.532 4.688 . 0 0 "[ . 1 . 2]" 1
478 1 29 ARG H 1 30 GLN H 3.000 . 3.500 2.773 2.749 2.795 . 0 0 "[ . 1 . 2]" 1
479 1 29 ARG HA 1 30 GLN H 4.000 . 4.750 3.585 3.571 3.602 . 0 0 "[ . 1 . 2]" 1
480 1 29 ARG HB3 1 30 GLN H 3.000 . 3.500 2.570 2.508 2.619 . 0 0 "[ . 1 . 2]" 1
481 1 29 ARG HB2 1 30 GLN H 4.000 . 4.750 3.732 3.645 3.793 . 0 0 "[ . 1 . 2]" 1
482 1 29 ARG QG 1 30 GLN H 4.000 . 4.750 4.025 3.894 4.296 . 0 0 "[ . 1 . 2]" 1
483 1 29 ARG QD 1 30 GLN H 5.000 . 6.000 4.412 3.484 5.286 . 0 0 "[ . 1 . 2]" 1
484 1 30 GLN H 1 31 ASP H 3.000 . 3.500 2.670 2.594 2.735 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLN H 1 31 ASP HA 5.000 . 6.000 5.299 5.240 5.348 . 0 0 "[ . 1 . 2]" 1
486 1 30 GLN H 1 31 ASP QB 5.000 . 6.000 4.448 4.320 4.576 . 0 0 "[ . 1 . 2]" 1
487 1 30 GLN HA 1 31 ASP H 3.000 . 3.500 3.521 3.502 3.534 0.034 12 0 "[ . 1 . 2]" 1
488 1 30 GLN QB 1 31 ASP H 3.000 . 3.500 2.940 2.487 3.476 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLN QB 1 31 ASP HA 5.000 . 6.000 4.071 3.771 4.509 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLN QG 1 31 ASP H 4.000 . 4.750 3.246 1.954 4.387 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLN QG 1 31 ASP HA 5.000 . 6.000 4.615 3.288 5.820 . 0 0 "[ . 1 . 2]" 1
492 1 31 ASP H 1 32 LEU H 3.000 . 3.500 2.493 2.419 2.534 . 0 0 "[ . 1 . 2]" 1
493 1 31 ASP HA 1 32 LEU H 5.000 . 6.000 3.464 3.455 3.472 . 0 0 "[ . 1 . 2]" 1
494 1 31 ASP QB 1 32 LEU H 3.000 . 3.500 2.835 2.791 2.890 . 0 0 "[ . 1 . 2]" 1
495 1 31 ASP QB 1 32 LEU MD1 5.000 . 6.000 4.602 4.386 4.906 . 0 0 "[ . 1 . 2]" 1
496 1 31 ASP QB 1 32 LEU MD2 4.000 . 4.750 4.672 4.010 4.756 0.006 6 0 "[ . 1 . 2]" 1
497 1 32 LEU H 1 33 LYS H 4.000 . 4.750 2.428 2.387 2.479 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU HA 1 33 LYS H 5.000 . 6.000 3.513 3.497 3.526 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU HB3 1 33 LYS H 5.000 . 6.000 3.210 3.124 3.319 . 0 0 "[ . 1 . 2]" 1
500 1 32 LEU HB2 1 33 LYS H 3.000 . 3.500 2.771 2.688 2.868 . 0 0 "[ . 1 . 2]" 1
501 1 33 LYS H 1 34 GLY H 5.000 . 6.000 2.687 2.678 2.704 . 0 0 "[ . 1 . 2]" 1
502 1 33 LYS HA 1 34 GLY H 4.000 . 4.750 3.540 3.536 3.544 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLY H 1 35 LYS H 4.000 . 4.750 2.670 2.623 2.767 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLY QA 1 35 LYS H 4.000 . 4.750 2.903 2.887 2.923 . 0 0 "[ . 1 . 2]" 1
505 1 35 LYS H 1 36 GLY H 3.000 . 3.500 2.232 2.146 2.316 . 0 0 "[ . 1 . 2]" 1
506 1 35 LYS HA 1 36 GLY H 4.000 . 4.750 3.382 3.359 3.400 . 0 0 "[ . 1 . 2]" 1
507 1 36 GLY QA 1 37 HIS H 3.000 . 3.500 2.927 2.919 2.933 . 0 0 "[ . 1 . 2]" 1
508 1 37 HIS H 1 38 THR H 5.000 . 6.000 4.558 4.548 4.578 . 0 0 "[ . 1 . 2]" 1
509 1 37 HIS HA 1 38 THR H 4.000 . 4.750 2.178 2.166 2.215 . 0 0 "[ . 1 . 2]" 1
510 1 37 HIS HB3 1 38 THR H 4.000 . 4.750 3.149 3.009 3.223 . 0 0 "[ . 1 . 2]" 1
511 1 37 HIS HB2 1 38 THR H 5.000 . 6.000 4.104 3.920 4.190 . 0 0 "[ . 1 . 2]" 1
512 1 38 THR HA 1 39 ASP H 3.000 . 3.500 2.311 2.237 2.375 . 0 0 "[ . 1 . 2]" 1
513 1 38 THR HB 1 39 ASP H 3.000 . 3.500 2.956 2.525 3.543 0.043 17 0 "[ . 1 . 2]" 1
514 1 38 THR MG 1 39 ASP H 4.000 . 4.750 3.253 2.128 3.864 . 0 0 "[ . 1 . 2]" 1
515 1 39 ASP H 1 40 ALA H 3.000 . 3.500 2.707 2.665 2.752 . 0 0 "[ . 1 . 2]" 1
516 1 39 ASP H 1 40 ALA HA 5.000 . 6.000 5.295 5.249 5.329 . 0 0 "[ . 1 . 2]" 1
517 1 39 ASP H 1 40 ALA MB 5.000 . 6.000 4.304 4.236 4.395 . 0 0 "[ . 1 . 2]" 1
518 1 39 ASP HA 1 40 ALA H 4.000 . 4.750 3.523 3.512 3.532 . 0 0 "[ . 1 . 2]" 1
519 1 39 ASP HA 1 40 ALA MB 5.000 . 6.000 5.003 4.995 5.020 . 0 0 "[ . 1 . 2]" 1
520 1 39 ASP QB 1 40 ALA H 3.000 . 3.500 2.930 2.599 3.450 . 0 0 "[ . 1 . 2]" 1
521 1 40 ALA H 1 41 GLU H 3.000 . 3.500 2.750 2.711 2.793 . 0 0 "[ . 1 . 2]" 1
522 1 40 ALA H 1 41 GLU HA 5.000 . 6.000 5.343 5.313 5.374 . 0 0 "[ . 1 . 2]" 1
523 1 40 ALA H 1 41 GLU QB 5.000 . 6.000 4.510 4.374 4.908 . 0 0 "[ . 1 . 2]" 1
524 1 40 ALA HA 1 41 GLU H 3.000 . 3.500 3.540 3.535 3.545 0.045 7 0 "[ . 1 . 2]" 1
525 1 40 ALA MB 1 41 GLU H 4.000 . 4.750 2.493 2.361 2.586 . 0 0 "[ . 1 . 2]" 1
526 1 40 ALA MB 1 41 GLU HA 5.000 . 6.000 3.716 3.650 3.811 . 0 0 "[ . 1 . 2]" 1
527 1 41 GLU H 1 42 ILE H 3.000 . 3.500 2.640 2.599 2.723 . 0 0 "[ . 1 . 2]" 1
528 1 41 GLU H 1 42 ILE MD 5.000 . 6.000 4.511 4.437 4.635 . 0 0 "[ . 1 . 2]" 1
529 1 41 GLU HA 1 42 ILE H 3.000 . 3.500 3.526 3.519 3.538 0.038 6 0 "[ . 1 . 2]" 1
530 1 41 GLU QB 1 42 ILE H 3.000 . 3.500 2.727 2.546 3.466 . 0 0 "[ . 1 . 2]" 1
531 1 41 GLU QB 1 42 ILE HA 5.000 . 6.000 3.930 3.756 4.665 . 0 0 "[ . 1 . 2]" 1
532 1 41 GLU QG 1 42 ILE H 5.000 . 6.000 4.055 2.079 4.467 . 0 0 "[ . 1 . 2]" 1
533 1 42 ILE H 1 43 GLU H 3.000 . 3.500 2.622 2.556 2.717 . 0 0 "[ . 1 . 2]" 1
534 1 42 ILE H 1 43 GLU HA 5.000 . 6.000 5.234 5.187 5.298 . 0 0 "[ . 1 . 2]" 1
535 1 42 ILE HA 1 43 GLU H 4.000 . 4.750 3.536 3.526 3.562 . 0 0 "[ . 1 . 2]" 1
536 1 42 ILE HB 1 43 GLU H 3.000 . 3.500 2.604 2.380 2.684 . 0 0 "[ . 1 . 2]" 1
537 1 42 ILE MD 1 43 GLU H 5.000 . 6.000 4.106 3.970 4.184 . 0 0 "[ . 1 . 2]" 1
538 1 43 GLU H 1 44 ALA H 3.000 . 3.500 2.616 2.578 2.718 . 0 0 "[ . 1 . 2]" 1
539 1 43 GLU H 1 44 ALA MB 5.000 . 6.000 4.266 4.196 4.336 . 0 0 "[ . 1 . 2]" 1
540 1 43 GLU HA 1 44 ALA H 3.000 . 3.500 3.519 3.509 3.526 0.026 2 0 "[ . 1 . 2]" 1
541 1 43 GLU QB 1 44 ALA H 3.000 . 3.500 2.740 2.687 2.792 . 0 0 "[ . 1 . 2]" 1
542 1 43 GLU QG 1 44 ALA H 5.000 . 6.000 3.825 3.589 4.340 . 0 0 "[ . 1 . 2]" 1
543 1 44 ALA H 1 45 ILE H 3.000 . 3.500 2.623 2.602 2.646 . 0 0 "[ . 1 . 2]" 1
544 1 44 ALA H 1 45 ILE HB 5.000 . 6.000 4.691 4.654 4.712 . 0 0 "[ . 1 . 2]" 1
545 1 44 ALA H 1 45 ILE MD 5.000 . 6.000 5.192 4.723 5.491 . 0 0 "[ . 1 . 2]" 1
546 1 44 ALA HA 1 45 ILE H 4.000 . 4.750 3.534 3.529 3.541 . 0 0 "[ . 1 . 2]" 1
547 1 44 ALA MB 1 45 ILE H 3.000 . 3.500 2.387 2.302 2.503 . 0 0 "[ . 1 . 2]" 1
548 1 44 ALA MB 1 45 ILE HA 4.000 . 4.750 3.721 3.682 3.807 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE H 1 46 PHE H 3.000 . 3.500 2.703 2.677 2.741 . 0 0 "[ . 1 . 2]" 1
550 1 45 ILE HA 1 46 PHE H 3.000 . 3.500 3.538 3.521 3.551 0.051 12 0 "[ . 1 . 2]" 1
551 1 45 ILE HB 1 46 PHE H 3.000 . 3.500 2.500 2.428 2.564 . 0 0 "[ . 1 . 2]" 1
552 1 45 ILE HB 1 46 PHE QD 4.000 . 4.750 3.547 3.247 4.743 . 0 0 "[ . 1 . 2]" 1
553 1 45 ILE MD 1 46 PHE H 5.000 . 6.000 4.437 4.235 4.585 . 0 0 "[ . 1 . 2]" 1
554 1 46 PHE H 1 47 THR H 3.000 . 3.500 2.706 2.684 2.722 . 0 0 "[ . 1 . 2]" 1
555 1 46 PHE H 1 47 THR MG 5.000 . 6.000 4.338 4.046 4.639 . 0 0 "[ . 1 . 2]" 1
556 1 46 PHE HA 1 47 THR H 4.000 . 4.750 3.559 3.551 3.565 . 0 0 "[ . 1 . 2]" 1
557 1 46 PHE QB 1 47 THR H 3.000 . 3.500 2.693 2.678 2.731 . 0 0 "[ . 1 . 2]" 1
558 1 46 PHE QD 1 47 THR H 4.000 . 4.750 4.611 4.599 4.630 . 0 0 "[ . 1 . 2]" 1
559 1 46 PHE QD 1 47 THR HA 5.000 . 6.000 5.286 5.124 5.669 . 0 0 "[ . 1 . 2]" 1
560 1 46 PHE QD 1 47 THR MG 5.000 . 6.000 5.347 4.907 5.925 . 0 0 "[ . 1 . 2]" 1
561 1 47 THR H 1 48 LYS H 3.000 . 3.500 2.501 2.484 2.547 . 0 0 "[ . 1 . 2]" 1
562 1 47 THR HA 1 48 LYS H 4.000 . 4.750 3.499 3.494 3.506 . 0 0 "[ . 1 . 2]" 1
563 1 47 THR HB 1 48 LYS H 4.000 . 4.750 3.547 3.385 3.748 . 0 0 "[ . 1 . 2]" 1
564 1 47 THR MG 1 48 LYS H 5.000 . 6.000 3.113 1.959 3.938 . 0 0 "[ . 1 . 2]" 1
565 1 48 LYS H 1 49 TYR H 3.000 . 3.500 2.854 2.780 2.900 . 0 0 "[ . 1 . 2]" 1
566 1 48 LYS HA 1 49 TYR H 3.000 . 3.500 3.564 3.553 3.574 0.074 12 0 "[ . 1 . 2]" 1
567 1 48 LYS QB 1 49 TYR H 3.000 . 3.500 2.529 2.421 3.462 . 0 0 "[ . 1 . 2]" 1
568 1 48 LYS QB 1 49 TYR QD 4.000 . 4.750 3.143 2.311 4.177 . 0 0 "[ . 1 . 2]" 1
569 1 48 LYS QB 1 49 TYR QE 4.000 . 4.750 3.881 3.291 4.708 . 0 0 "[ . 1 . 2]" 1
570 1 48 LYS QG 1 49 TYR H 4.000 . 4.750 3.870 2.142 4.406 . 0 0 "[ . 1 . 2]" 1
571 1 48 LYS QG 1 49 TYR HA 5.000 . 6.000 4.241 3.252 5.206 . 0 0 "[ . 1 . 2]" 1
572 1 48 LYS QG 1 49 TYR QD 5.000 . 6.000 4.196 2.128 4.874 . 0 0 "[ . 1 . 2]" 1
573 1 48 LYS QG 1 49 TYR QE 4.000 . 4.750 4.285 2.885 4.754 0.004 20 0 "[ . 1 . 2]" 1
574 1 48 LYS QD 1 49 TYR H 5.000 . 6.000 4.202 3.273 4.946 . 0 0 "[ . 1 . 2]" 1
575 1 48 LYS QD 1 49 TYR QD 5.000 . 6.000 4.072 2.717 5.182 . 0 0 "[ . 1 . 2]" 1
576 1 48 LYS QD 1 49 TYR QE 4.000 . 4.750 3.822 2.053 4.758 0.008 17 0 "[ . 1 . 2]" 1
577 1 48 LYS QE 1 49 TYR QE 4.000 . 4.750 4.535 3.824 4.751 0.001 16 0 "[ . 1 . 2]" 1
578 1 49 TYR HA 1 50 ASP H 4.000 . 4.750 3.560 3.544 3.580 . 0 0 "[ . 1 . 2]" 1
579 1 49 TYR HB3 1 50 ASP H 4.000 . 4.750 3.630 3.553 3.700 . 0 0 "[ . 1 . 2]" 1
580 1 49 TYR HB2 1 50 ASP H 3.000 . 3.500 2.849 2.773 2.913 . 0 0 "[ . 1 . 2]" 1
581 1 50 ASP HA 1 51 GLN H 4.000 . 4.750 2.528 2.521 2.535 . 0 0 "[ . 1 . 2]" 1
582 1 50 ASP HB3 1 51 GLN H 4.000 . 4.750 4.392 4.373 4.426 . 0 0 "[ . 1 . 2]" 1
583 1 51 GLN HA 1 52 ASP H 4.000 . 4.750 3.490 3.435 3.555 . 0 0 "[ . 1 . 2]" 1
584 1 51 GLN QB 1 52 ASP H 3.000 . 3.500 3.086 2.704 3.511 0.011 3 0 "[ . 1 . 2]" 1
585 1 52 ASP H 1 53 GLY H 3.000 . 3.500 2.500 2.376 2.614 . 0 0 "[ . 1 . 2]" 1
586 1 52 ASP HA 1 53 GLY H 5.000 . 6.000 3.378 3.344 3.393 . 0 0 "[ . 1 . 2]" 1
587 1 53 GLY H 1 54 ASP H 3.000 . 3.500 2.798 2.691 2.926 . 0 0 "[ . 1 . 2]" 1
588 1 53 GLY QA 1 54 ASP H 3.000 . 3.500 2.776 2.657 2.863 . 0 0 "[ . 1 . 2]" 1
589 1 54 ASP H 1 55 GLN H 3.000 . 3.500 2.594 2.511 2.678 . 0 0 "[ . 1 . 2]" 1
590 1 54 ASP HA 1 55 GLN H 5.000 . 6.000 3.138 3.039 3.264 . 0 0 "[ . 1 . 2]" 1
591 1 54 ASP HB3 1 55 GLN H 5.000 . 6.000 4.489 4.403 4.542 . 0 0 "[ . 1 . 2]" 1
592 1 55 GLN H 1 56 GLU H 4.000 . 4.750 2.772 2.664 2.871 . 0 0 "[ . 1 . 2]" 1
593 1 55 GLN HA 1 56 GLU H 5.000 . 6.000 2.960 2.854 3.059 . 0 0 "[ . 1 . 2]" 1
594 1 55 GLN QB 1 56 GLU H 4.000 . 4.750 3.760 3.685 3.829 . 0 0 "[ . 1 . 2]" 1
595 1 56 GLU HA 1 57 LEU H 5.000 . 6.000 2.172 2.135 2.220 . 0 0 "[ . 1 . 2]" 1
596 1 56 GLU HB3 1 57 LEU H 4.000 . 4.750 3.839 3.681 4.050 . 0 0 "[ . 1 . 2]" 1
597 1 56 GLU HB2 1 57 LEU H 5.000 . 6.000 4.266 4.135 4.428 . 0 0 "[ . 1 . 2]" 1
598 1 56 GLU QG 1 57 LEU H 5.000 . 6.000 2.482 2.164 2.773 . 0 0 "[ . 1 . 2]" 1
599 1 57 LEU H 1 58 THR H 5.000 . 6.000 4.398 4.386 4.415 . 0 0 "[ . 1 . 2]" 1
600 1 57 LEU HA 1 58 THR H 3.000 . 3.500 2.168 2.152 2.207 . 0 0 "[ . 1 . 2]" 1
601 1 57 LEU HA 1 58 THR MG 5.000 . 6.000 4.407 3.676 5.412 . 0 0 "[ . 1 . 2]" 1
602 1 57 LEU HB2 1 58 THR H 5.000 . 6.000 4.479 4.408 4.527 . 0 0 "[ . 1 . 2]" 1
603 1 57 LEU MD1 1 58 THR H 5.000 . 6.000 3.148 2.788 3.331 . 0 0 "[ . 1 . 2]" 1
604 1 57 LEU MD2 1 58 THR H 5.000 . 6.000 4.757 4.635 4.863 . 0 0 "[ . 1 . 2]" 1
605 1 58 THR HA 1 59 GLU H 4.000 . 4.750 2.441 2.331 2.560 . 0 0 "[ . 1 . 2]" 1
606 1 58 THR HB 1 59 GLU H 4.000 . 4.750 2.526 1.988 3.488 . 0 0 "[ . 1 . 2]" 1
607 1 58 THR MG 1 59 GLU H 5.000 . 6.000 2.944 1.902 3.601 . 0 0 "[ . 1 . 2]" 1
608 1 59 GLU HA 1 60 HIS H 4.000 . 4.750 3.502 3.485 3.540 . 0 0 "[ . 1 . 2]" 1
609 1 59 GLU QB 1 60 HIS H 4.000 . 4.750 2.964 2.691 3.493 . 0 0 "[ . 1 . 2]" 1
610 1 59 GLU QG 1 60 HIS H 5.000 . 6.000 3.798 1.984 4.510 . 0 0 "[ . 1 . 2]" 1
611 1 60 HIS H 1 61 GLU H 4.000 . 4.750 2.699 2.641 2.774 . 0 0 "[ . 1 . 2]" 1
612 1 60 HIS HA 1 61 GLU H 4.000 . 4.750 3.558 3.552 3.563 . 0 0 "[ . 1 . 2]" 1
613 1 60 HIS HD2 1 61 GLU HA 5.000 . 6.000 4.109 3.658 4.540 . 0 0 "[ . 1 . 2]" 1
614 1 60 HIS HD2 1 61 GLU QB 5.000 . 6.000 5.635 5.321 5.926 . 0 0 "[ . 1 . 2]" 1
615 1 60 HIS HD2 1 61 GLU QG 5.000 . 6.000 4.566 4.083 4.973 . 0 0 "[ . 1 . 2]" 1
616 1 60 HIS QB 1 61 GLU H 4.000 . 4.750 2.390 2.332 2.454 . 0 0 "[ . 1 . 2]" 1
617 1 61 GLU H 1 62 HIS H 3.000 . 3.500 2.661 2.610 2.684 . 0 0 "[ . 1 . 2]" 1
618 1 61 GLU HA 1 62 HIS H 4.000 . 4.750 3.532 3.515 3.542 . 0 0 "[ . 1 . 2]" 1
619 1 61 GLU QB 1 62 HIS H 4.000 . 4.750 2.689 2.551 2.748 . 0 0 "[ . 1 . 2]" 1
620 1 61 GLU QG 1 62 HIS H 5.000 . 6.000 4.347 3.839 4.452 . 0 0 "[ . 1 . 2]" 1
621 1 62 HIS H 1 63 GLN H 3.000 . 3.500 2.591 2.541 2.647 . 0 0 "[ . 1 . 2]" 1
622 1 62 HIS H 1 63 GLN HB3 5.000 . 6.000 5.092 4.758 5.516 . 0 0 "[ . 1 . 2]" 1
623 1 62 HIS H 1 63 GLN HB2 5.000 . 6.000 4.695 4.458 4.897 . 0 0 "[ . 1 . 2]" 1
624 1 62 HIS HA 1 63 GLN H 5.000 . 6.000 3.512 3.499 3.521 . 0 0 "[ . 1 . 2]" 1
625 1 62 HIS HB3 1 63 GLN H 4.000 . 4.750 2.779 2.710 2.933 . 0 0 "[ . 1 . 2]" 1
626 1 62 HIS HB2 1 63 GLN H 4.000 . 4.750 3.795 3.566 3.874 . 0 0 "[ . 1 . 2]" 1
627 1 63 GLN H 1 64 GLN H 4.000 . 4.750 2.706 2.644 2.807 . 0 0 "[ . 1 . 2]" 1
628 1 63 GLN HA 1 64 GLN H 5.000 . 6.000 3.509 3.486 3.555 . 0 0 "[ . 1 . 2]" 1
629 1 63 GLN HB3 1 64 GLN H 4.000 . 4.750 2.765 2.529 2.952 . 0 0 "[ . 1 . 2]" 1
630 1 63 GLN HB2 1 64 GLN H 4.000 . 4.750 3.759 3.395 3.991 . 0 0 "[ . 1 . 2]" 1
631 1 63 GLN QG 1 64 GLN H 4.000 . 4.750 4.156 3.622 4.608 . 0 0 "[ . 1 . 2]" 1
632 1 64 GLN HA 1 65 MET H 4.000 . 4.750 3.491 3.485 3.511 . 0 0 "[ . 1 . 2]" 1
633 1 64 GLN QB 1 65 MET H 4.000 . 4.750 2.815 2.651 3.540 . 0 0 "[ . 1 . 2]" 1
634 1 65 MET HA 1 66 ARG H 5.000 . 6.000 3.559 3.521 3.581 . 0 0 "[ . 1 . 2]" 1
635 1 66 ARG H 1 67 ASP H 3.000 . 3.500 2.699 2.631 2.802 . 0 0 "[ . 1 . 2]" 1
636 1 66 ARG HA 1 67 ASP H 4.000 . 4.750 3.543 3.514 3.556 . 0 0 "[ . 1 . 2]" 1
637 1 66 ARG QB 1 67 ASP H 3.000 . 3.500 2.687 2.523 3.396 . 0 0 "[ . 1 . 2]" 1
638 1 66 ARG QG 1 67 ASP H 4.000 . 4.750 4.169 1.993 4.500 . 0 0 "[ . 1 . 2]" 1
639 1 67 ASP HA 1 68 ASP H 3.000 . 3.500 3.537 3.524 3.543 0.043 16 0 "[ . 1 . 2]" 1
640 1 68 ASP H 1 69 LEU H 2.500 . 2.800 2.677 2.541 2.795 . 0 0 "[ . 1 . 2]" 1
641 1 68 ASP HA 1 69 LEU H 4.000 . 4.750 3.517 3.477 3.555 . 0 0 "[ . 1 . 2]" 1
642 1 68 ASP QB 1 69 LEU H 3.000 . 3.500 2.737 2.465 2.916 . 0 0 "[ . 1 . 2]" 1
643 1 69 LEU H 1 70 GLU H 2.500 . 2.800 2.637 2.519 2.768 . 0 0 "[ . 1 . 2]" 1
644 1 69 LEU HA 1 70 GLU H 3.000 . 3.500 3.522 3.484 3.545 0.045 11 0 "[ . 1 . 2]" 1
645 1 69 LEU HB3 1 70 GLU H 3.000 . 3.500 2.818 2.480 3.038 . 0 0 "[ . 1 . 2]" 1
646 1 69 LEU HB2 1 70 GLU H 3.000 . 3.500 3.496 3.389 3.544 0.044 15 0 "[ . 1 . 2]" 1
647 1 69 LEU MD1 1 70 GLU H 5.000 . 6.000 4.827 4.087 5.004 . 0 0 "[ . 1 . 2]" 1
648 1 69 LEU MD2 1 70 GLU H 4.000 . 4.750 4.168 3.624 4.722 . 0 0 "[ . 1 . 2]" 1
649 1 70 GLU HA 1 71 LYS H 3.000 . 3.500 3.489 3.464 3.545 0.045 9 0 "[ . 1 . 2]" 1
650 1 70 GLU QB 1 71 LYS H 3.000 . 3.500 2.929 2.560 3.507 0.007 14 0 "[ . 1 . 2]" 1
651 1 71 LYS H 1 72 GLU H 2.500 . 2.800 2.550 2.424 2.703 . 0 0 "[ . 1 . 2]" 1
652 1 71 LYS HA 1 72 GLU H 3.000 . 3.500 3.472 3.413 3.507 0.007 11 0 "[ . 1 . 2]" 1
653 1 71 LYS QB 1 72 GLU H 3.000 . 3.500 3.092 2.736 3.556 0.056 1 0 "[ . 1 . 2]" 1
654 1 72 GLU HA 1 73 ARG H 3.000 . 3.500 3.524 3.500 3.545 0.045 16 0 "[ . 1 . 2]" 1
655 1 72 GLU QB 1 73 ARG H 2.500 . 2.800 2.538 2.213 2.801 0.001 19 0 "[ . 1 . 2]" 1
656 1 72 GLU QG 1 73 ARG H 3.000 . 3.500 3.520 3.504 3.585 0.085 1 0 "[ . 1 . 2]" 1
657 1 73 ARG HA 1 74 GLU H 3.000 . 3.500 2.632 2.156 3.550 0.050 20 0 "[ . 1 . 2]" 1
658 1 73 ARG QB 1 74 GLU H 4.000 . 4.750 3.489 1.947 4.012 . 0 0 "[ . 1 . 2]" 1
659 1 73 ARG QG 1 74 GLU H 4.000 . 4.750 3.975 1.887 4.470 . 0 0 "[ . 1 . 2]" 1
660 1 74 GLU HA 1 75 ASP H 3.000 . 3.500 2.540 2.148 3.529 0.029 19 0 "[ . 1 . 2]" 1
661 1 74 GLU QB 1 75 ASP H 4.000 . 4.750 3.392 2.144 4.020 . 0 0 "[ . 1 . 2]" 1
662 1 74 GLU QG 1 75 ASP H 4.000 . 4.750 3.651 2.009 4.722 . 0 0 "[ . 1 . 2]" 1
663 1 75 ASP H 1 76 LEU H 3.000 . 3.500 2.599 1.835 3.527 0.027 17 0 "[ . 1 . 2]" 1
664 1 75 ASP HA 1 76 LEU H 3.000 . 3.500 3.115 2.458 3.550 0.050 17 0 "[ . 1 . 2]" 1
665 1 75 ASP QB 1 76 LEU H 4.000 . 4.750 3.364 2.041 4.049 . 0 0 "[ . 1 . 2]" 1
666 1 76 LEU H 1 77 ASP H 4.000 . 4.750 3.806 1.978 4.569 . 0 0 "[ . 1 . 2]" 1
667 1 76 LEU H 1 77 ASP QB 5.000 . 6.000 4.953 4.007 5.915 . 0 0 "[ . 1 . 2]" 1
668 1 76 LEU HA 1 77 ASP H 3.000 . 3.500 2.655 2.140 3.547 0.047 14 0 "[ . 1 . 2]" 1
669 1 76 LEU HG 1 77 ASP H 4.000 . 4.750 3.888 1.990 4.771 0.021 6 0 "[ . 1 . 2]" 1
670 1 76 LEU QB 1 77 ASP H 4.000 . 4.750 3.114 1.932 3.985 . 0 0 "[ . 1 . 2]" 1
671 1 76 LEU QD 1 77 ASP H 5.000 . 6.000 3.393 2.066 4.396 . 0 0 "[ . 1 . 2]" 1
672 1 77 ASP H 1 78 LEU H 3.000 . 3.500 2.732 1.940 3.497 . 0 0 "[ . 1 . 2]" 1
673 1 77 ASP HA 1 78 LEU H 3.000 . 3.500 3.126 2.205 3.556 0.056 6 0 "[ . 1 . 2]" 1
674 1 77 ASP QB 1 78 LEU H 5.000 . 6.000 3.100 1.947 4.016 . 0 0 "[ . 1 . 2]" 1
675 1 78 LEU H 1 79 ASP H 3.000 . 3.500 2.824 1.989 3.507 0.007 20 0 "[ . 1 . 2]" 1
676 1 78 LEU HA 1 79 ASP H 3.000 . 3.500 3.070 2.274 3.551 0.051 12 0 "[ . 1 . 2]" 1
677 1 3 SER QB 1 5 LYS H 5.000 . 6.000 5.664 5.216 6.050 0.050 9 0 "[ . 1 . 2]" 1
678 1 5 LYS HA 1 7 ASN H 5.000 . 6.000 3.813 3.616 4.093 . 0 0 "[ . 1 . 2]" 1
679 1 5 LYS QB 1 7 ASN H 4.000 . 4.750 2.646 2.196 3.514 . 0 0 "[ . 1 . 2]" 1
680 1 5 LYS QG 1 7 ASN H 5.000 . 6.000 3.466 2.295 5.054 . 0 0 "[ . 1 . 2]" 1
681 1 5 LYS QD 1 7 ASN H 5.000 . 6.000 4.497 2.665 5.321 . 0 0 "[ . 1 . 2]" 1
682 1 7 ASN H 1 9 VAL HB 5.000 . 6.000 5.459 5.024 5.789 . 0 0 "[ . 1 . 2]" 1
683 1 9 VAL H 1 11 ASP H 4.000 . 4.750 4.237 3.648 4.515 . 0 0 "[ . 1 . 2]" 1
684 1 9 VAL HB 1 11 ASP H 5.000 . 6.000 5.046 4.702 5.301 . 0 0 "[ . 1 . 2]" 1
685 1 10 ASP HA 1 12 ILE H 5.000 . 6.000 4.555 4.371 4.803 . 0 0 "[ . 1 . 2]" 1
686 1 16 LEU HA 1 18 GLN H 5.000 . 6.000 4.170 4.092 4.272 . 0 0 "[ . 1 . 2]" 1
687 1 24 ASN HD21 1 26 ASP H 5.000 . 6.000 5.515 5.360 5.774 . 0 0 "[ . 1 . 2]" 1
688 1 24 ASN HD21 1 26 ASP QB 5.000 . 6.000 5.229 4.970 6.008 0.008 19 0 "[ . 1 . 2]" 1
689 1 24 ASN HD22 1 26 ASP H 5.000 . 6.000 5.175 4.812 5.519 . 0 0 "[ . 1 . 2]" 1
690 1 24 ASN HD22 1 26 ASP QB 5.000 . 6.000 4.311 3.869 5.238 . 0 0 "[ . 1 . 2]" 1
691 1 24 ASN QB 1 26 ASP H 4.000 . 4.750 3.047 2.950 3.377 . 0 0 "[ . 1 . 2]" 1
692 1 27 GLU H 1 29 ARG H 5.000 . 6.000 4.090 4.005 4.153 . 0 0 "[ . 1 . 2]" 1
693 1 27 GLU HA 1 29 ARG H 5.000 . 6.000 4.510 4.401 4.595 . 0 0 "[ . 1 . 2]" 1
694 1 27 GLU HB2 1 29 ARG H 5.000 . 6.000 5.111 5.002 5.225 . 0 0 "[ . 1 . 2]" 1
695 1 28 LEU H 1 30 GLN H 5.000 . 6.000 4.189 4.117 4.256 . 0 0 "[ . 1 . 2]" 1
696 1 28 LEU HA 1 30 GLN H 4.000 . 4.750 4.500 4.427 4.589 . 0 0 "[ . 1 . 2]" 1
697 1 29 ARG H 1 31 ASP H 5.000 . 6.000 4.148 4.048 4.219 . 0 0 "[ . 1 . 2]" 1
698 1 30 GLN H 1 32 LEU H 5.000 . 6.000 3.862 3.840 3.891 . 0 0 "[ . 1 . 2]" 1
699 1 35 LYS HA 1 37 HIS HD2 5.000 . 6.000 4.534 4.376 4.824 . 0 0 "[ . 1 . 2]" 1
700 1 35 LYS HB3 1 37 HIS HD2 3.000 . 3.500 2.387 2.194 3.507 0.007 19 0 "[ . 1 . 2]" 1
701 1 35 LYS HB2 1 37 HIS HD2 3.000 . 3.500 2.067 1.890 2.219 . 0 0 "[ . 1 . 2]" 1
702 1 35 LYS QG 1 37 HIS HD2 4.000 . 4.750 3.633 2.909 3.810 . 0 0 "[ . 1 . 2]" 1
703 1 35 LYS QD 1 37 HIS HD2 4.000 . 4.750 3.958 3.620 4.763 0.013 19 0 "[ . 1 . 2]" 1
704 1 38 THR HA 1 40 ALA H 4.000 . 4.750 4.239 4.171 4.314 . 0 0 "[ . 1 . 2]" 1
705 1 38 THR HB 1 40 ALA H 4.000 . 4.750 2.872 2.529 4.306 . 0 0 "[ . 1 . 2]" 1
706 1 38 THR HB 1 40 ALA MB 5.000 . 6.000 3.298 2.936 4.581 . 0 0 "[ . 1 . 2]" 1
707 1 38 THR MG 1 40 ALA H 5.000 . 6.000 3.693 2.237 4.339 . 0 0 "[ . 1 . 2]" 1
708 1 39 ASP H 1 41 GLU H 5.000 . 6.000 4.411 4.336 4.477 . 0 0 "[ . 1 . 2]" 1
709 1 39 ASP H 1 41 GLU QB 5.000 . 6.000 5.265 5.106 6.025 0.025 7 0 "[ . 1 . 2]" 1
710 1 39 ASP HA 1 41 GLU H 4.000 . 4.750 4.526 4.413 4.658 . 0 0 "[ . 1 . 2]" 1
711 1 40 ALA H 1 42 ILE H 4.000 . 4.750 4.108 4.026 4.182 . 0 0 "[ . 1 . 2]" 1
712 1 40 ALA H 1 42 ILE HB 5.000 . 6.000 5.293 5.235 5.356 . 0 0 "[ . 1 . 2]" 1
713 1 40 ALA H 1 42 ILE MD 5.000 . 6.000 4.548 4.440 4.654 . 0 0 "[ . 1 . 2]" 1
714 1 41 GLU H 1 43 GLU H 4.000 . 4.750 4.120 4.045 4.343 . 0 0 "[ . 1 . 2]" 1
715 1 42 ILE HA 1 44 ALA H 5.000 . 6.000 4.323 4.247 4.426 . 0 0 "[ . 1 . 2]" 1
716 1 42 ILE HB 1 44 ALA H 5.000 . 6.000 4.969 4.823 5.044 . 0 0 "[ . 1 . 2]" 1
717 1 44 ALA H 1 46 PHE H 4.000 . 4.750 4.002 3.933 4.088 . 0 0 "[ . 1 . 2]" 1
718 1 44 ALA HA 1 46 PHE H 4.000 . 4.750 4.582 4.520 4.658 . 0 0 "[ . 1 . 2]" 1
719 1 44 ALA MB 1 46 PHE H 5.000 . 6.000 4.472 4.435 4.512 . 0 0 "[ . 1 . 2]" 1
720 1 46 PHE H 1 48 LYS H 5.000 . 6.000 4.142 4.112 4.217 . 0 0 "[ . 1 . 2]" 1
721 1 46 PHE QB 1 48 LYS H 5.000 . 6.000 4.654 4.634 4.691 . 0 0 "[ . 1 . 2]" 1
722 1 50 ASP HA 1 52 ASP H 5.000 . 6.000 3.297 3.102 3.596 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASP HB3 1 52 ASP H 5.000 . 6.000 4.963 4.631 5.424 . 0 0 "[ . 1 . 2]" 1
724 1 52 ASP HB2 1 54 ASP H 4.000 . 4.750 3.705 3.411 4.014 . 0 0 "[ . 1 . 2]" 1
725 1 53 GLY QA 1 55 GLN H 5.000 . 6.000 2.978 2.927 3.059 . 0 0 "[ . 1 . 2]" 1
726 1 53 GLY QA 1 55 GLN HE22 5.000 . 6.000 5.042 2.460 6.004 0.004 6 0 "[ . 1 . 2]" 1
727 1 54 ASP HB2 1 56 GLU H 5.000 . 6.000 4.126 3.967 4.307 . 0 0 "[ . 1 . 2]" 1
728 1 58 THR HB 1 60 HIS H 5.000 . 6.000 2.732 2.497 3.051 . 0 0 "[ . 1 . 2]" 1
729 1 58 THR MG 1 60 HIS H 5.000 . 6.000 3.710 2.206 4.407 . 0 0 "[ . 1 . 2]" 1
730 1 60 HIS HA 1 62 HIS H 5.000 . 6.000 4.470 4.382 4.554 . 0 0 "[ . 1 . 2]" 1
731 1 61 GLU HA 1 63 GLN H 5.000 . 6.000 4.272 4.206 4.347 . 0 0 "[ . 1 . 2]" 1
732 1 62 HIS H 1 64 GLN H 5.000 . 6.000 4.197 4.119 4.413 . 0 0 "[ . 1 . 2]" 1
733 1 65 MET H 1 67 ASP H 4.000 . 4.750 4.190 4.028 4.374 . 0 0 "[ . 1 . 2]" 1
734 1 67 ASP HA 1 69 LEU H 5.000 . 6.000 4.317 4.039 4.620 . 0 0 "[ . 1 . 2]" 1
735 1 74 GLU HA 1 76 LEU H 4.000 . 4.750 4.122 3.174 4.753 0.003 7 0 "[ . 1 . 2]" 1
736 1 76 LEU HA 1 78 LEU H 5.000 . 6.000 4.604 3.166 6.010 0.010 19 0 "[ . 1 . 2]" 1
737 1 5 LYS H 1 8 THR HB 4.000 . 4.750 3.908 3.177 4.751 0.001 2 0 "[ . 1 . 2]" 1
738 1 5 LYS H 1 8 THR MG 5.000 . 6.000 4.255 3.629 5.323 . 0 0 "[ . 1 . 2]" 1
739 1 5 LYS QB 1 8 THR H 5.000 . 6.000 2.703 1.980 3.541 . 0 0 "[ . 1 . 2]" 1
740 1 6 LYS HA 1 9 VAL H 5.000 . 6.000 3.505 3.340 3.636 . 0 0 "[ . 1 . 2]" 1
741 1 6 LYS HA 1 9 VAL HB 3.000 . 3.500 3.066 2.520 3.512 0.012 15 0 "[ . 1 . 2]" 1
742 1 7 ASN HA 1 10 ASP H 5.000 . 6.000 3.661 3.397 3.903 . 0 0 "[ . 1 . 2]" 1
743 1 7 ASN HA 1 10 ASP QB 3.000 . 3.500 2.853 2.667 3.151 . 0 0 "[ . 1 . 2]" 1
744 1 8 THR H 1 11 ASP H 5.000 . 6.000 4.864 4.434 5.109 . 0 0 "[ . 1 . 2]" 1
745 1 8 THR HA 1 11 ASP H 3.000 . 3.500 3.457 3.254 3.559 0.059 2 0 "[ . 1 . 2]" 1
746 1 8 THR HA 1 11 ASP QB 4.000 . 4.750 2.972 2.229 4.305 . 0 0 "[ . 1 . 2]" 1
747 1 8 THR HB 1 11 ASP H 5.000 . 6.000 5.352 5.144 5.706 . 0 0 "[ . 1 . 2]" 1
748 1 8 THR MG 1 11 ASP H 5.000 . 6.000 4.779 4.429 5.140 . 0 0 "[ . 1 . 2]" 1
749 1 9 VAL H 1 12 ILE MD 5.000 . 6.000 3.826 3.322 5.948 . 0 0 "[ . 1 . 2]" 1
750 1 9 VAL HA 1 12 ILE HB 3.000 . 3.500 2.928 2.690 3.516 0.016 17 0 "[ . 1 . 2]" 1
751 1 9 VAL HA 1 12 ILE MD 4.000 . 4.750 2.381 1.896 4.752 0.002 19 0 "[ . 1 . 2]" 1
752 1 10 ASP HA 1 13 SER H 4.000 . 4.750 3.561 3.338 3.928 . 0 0 "[ . 1 . 2]" 1
753 1 11 ASP HA 1 14 GLU H 5.000 . 6.000 3.841 3.710 4.066 . 0 0 "[ . 1 . 2]" 1
754 1 11 ASP HA 1 14 GLU QB 4.000 . 4.750 3.789 2.907 4.241 . 0 0 "[ . 1 . 2]" 1
755 1 11 ASP HA 1 14 GLU QG 4.000 . 4.750 2.692 2.183 3.905 . 0 0 "[ . 1 . 2]" 1
756 1 12 ILE HA 1 15 SER H 4.000 . 4.750 3.696 3.537 3.815 . 0 0 "[ . 1 . 2]" 1
757 1 12 ILE HA 1 15 SER QB 3.000 . 3.500 2.948 2.613 3.236 . 0 0 "[ . 1 . 2]" 1
758 1 13 SER H 1 16 LEU MD1 5.000 . 6.000 5.231 4.854 6.001 0.001 9 0 "[ . 1 . 2]" 1
759 1 14 GLU HA 1 17 ARG H 3.000 . 3.500 3.526 3.483 3.541 0.041 9 0 "[ . 1 . 2]" 1
760 1 14 GLU HA 1 17 ARG QB 3.000 . 3.500 2.876 2.720 3.000 . 0 0 "[ . 1 . 2]" 1
761 1 15 SER QB 1 18 GLN H 5.000 . 6.000 4.882 4.782 5.060 . 0 0 "[ . 1 . 2]" 1
762 1 18 GLN HA 1 21 GLY H 5.000 . 6.000 5.663 5.473 5.885 . 0 0 "[ . 1 . 2]" 1
763 1 24 ASN H 1 27 GLU H 5.000 . 6.000 3.611 3.477 3.747 . 0 0 "[ . 1 . 2]" 1
764 1 24 ASN H 1 27 GLU HB3 4.000 . 4.750 3.678 3.472 3.876 . 0 0 "[ . 1 . 2]" 1
765 1 24 ASN H 1 27 GLU HB2 4.000 . 4.750 2.406 2.287 2.511 . 0 0 "[ . 1 . 2]" 1
766 1 24 ASN H 1 27 GLU QG 5.000 . 6.000 3.814 3.359 4.105 . 0 0 "[ . 1 . 2]" 1
767 1 24 ASN HD21 1 27 GLU H 5.000 . 6.000 4.449 4.242 4.888 . 0 0 "[ . 1 . 2]" 1
768 1 24 ASN HD21 1 27 GLU HB3 5.000 . 6.000 5.033 4.645 6.012 0.012 19 0 "[ . 1 . 2]" 1
769 1 24 ASN HD21 1 27 GLU HB2 5.000 . 6.000 3.617 3.269 4.503 . 0 0 "[ . 1 . 2]" 1
770 1 24 ASN HD21 1 27 GLU QG 4.000 . 4.750 3.652 3.113 4.514 . 0 0 "[ . 1 . 2]" 1
771 1 24 ASN HD22 1 27 GLU QG 5.000 . 6.000 2.200 1.849 3.116 . 0 0 "[ . 1 . 2]" 1
772 1 25 PHE QD 1 28 LEU HB3 5.000 . 6.000 5.615 5.455 5.942 . 0 0 "[ . 1 . 2]" 1
773 1 25 PHE QD 1 28 LEU HB2 5.000 . 6.000 6.035 6.019 6.065 0.065 12 0 "[ . 1 . 2]" 1
774 1 25 PHE QD 1 28 LEU MD2 5.000 . 6.000 5.736 5.660 5.794 . 0 0 "[ . 1 . 2]" 1
775 1 26 ASP HA 1 29 ARG H 5.000 . 6.000 3.915 3.816 3.981 . 0 0 "[ . 1 . 2]" 1
776 1 26 ASP HA 1 29 ARG HB3 4.000 . 4.750 3.044 2.881 3.238 . 0 0 "[ . 1 . 2]" 1
777 1 26 ASP HA 1 29 ARG HE 5.000 . 6.000 5.171 3.099 6.000 . 0 0 "[ . 1 . 2]" 1
778 1 26 ASP HA 1 29 ARG QG 5.000 . 6.000 4.889 4.686 5.027 . 0 0 "[ . 1 . 2]" 1
779 1 27 GLU HA 1 30 GLN H 3.000 . 3.500 3.557 3.543 3.577 0.077 7 0 "[ . 1 . 2]" 1
780 1 27 GLU QG 1 30 GLN HE21 5.000 . 6.000 4.492 2.726 5.874 . 0 0 "[ . 1 . 2]" 1
781 1 28 LEU HA 1 31 ASP H 3.000 . 3.500 3.483 3.400 3.521 0.021 17 0 "[ . 1 . 2]" 1
782 1 28 LEU HA 1 31 ASP QB 3.000 . 3.500 2.537 2.455 2.655 . 0 0 "[ . 1 . 2]" 1
783 1 29 ARG HA 1 32 LEU H 4.000 . 4.750 3.201 3.143 3.252 . 0 0 "[ . 1 . 2]" 1
784 1 29 ARG HA 1 32 LEU HB3 3.000 . 3.500 3.521 3.510 3.532 0.032 17 0 "[ . 1 . 2]" 1
785 1 29 ARG HA 1 32 LEU HB2 3.000 . 3.500 2.103 2.041 2.184 . 0 0 "[ . 1 . 2]" 1
786 1 29 ARG HA 1 32 LEU MD1 5.000 . 6.000 2.461 2.197 2.738 . 0 0 "[ . 1 . 2]" 1
787 1 30 GLN H 1 33 LYS QB 5.000 . 6.000 4.606 4.501 4.737 . 0 0 "[ . 1 . 2]" 1
788 1 30 GLN HA 1 33 LYS H 5.000 . 6.000 3.375 3.284 3.462 . 0 0 "[ . 1 . 2]" 1
789 1 30 GLN HA 1 33 LYS QB 3.000 . 3.500 2.534 2.421 2.608 . 0 0 "[ . 1 . 2]" 1
790 1 30 GLN HA 1 33 LYS QG 4.000 . 4.750 3.939 3.477 4.610 . 0 0 "[ . 1 . 2]" 1
791 1 30 GLN HA 1 33 LYS QD 5.000 . 6.000 4.710 3.217 5.625 . 0 0 "[ . 1 . 2]" 1
792 1 32 LEU HA 1 35 LYS H 4.000 . 4.750 3.573 3.465 3.781 . 0 0 "[ . 1 . 2]" 1
793 1 32 LEU HA 1 35 LYS HB2 3.000 . 3.500 2.778 2.598 3.503 0.003 19 0 "[ . 1 . 2]" 1
794 1 32 LEU MD2 1 35 LYS HB3 5.000 . 6.000 4.161 3.779 4.982 . 0 0 "[ . 1 . 2]" 1
795 1 32 LEU MD2 1 35 LYS HB2 5.000 . 6.000 3.641 3.244 3.864 . 0 0 "[ . 1 . 2]" 1
796 1 38 THR H 1 41 GLU H 5.000 . 6.000 4.135 4.036 4.363 . 0 0 "[ . 1 . 2]" 1
797 1 38 THR H 1 41 GLU QB 4.000 . 4.750 2.951 2.763 3.726 . 0 0 "[ . 1 . 2]" 1
798 1 38 THR H 1 41 GLU QG 5.000 . 6.000 3.945 2.077 4.866 . 0 0 "[ . 1 . 2]" 1
799 1 38 THR HB 1 41 GLU H 4.000 . 4.750 3.219 2.417 4.737 . 0 0 "[ . 1 . 2]" 1
800 1 38 THR MG 1 41 GLU H 5.000 . 6.000 4.013 2.249 4.521 . 0 0 "[ . 1 . 2]" 1
801 1 39 ASP H 1 42 ILE H 5.000 . 6.000 4.818 4.787 4.853 . 0 0 "[ . 1 . 2]" 1
802 1 39 ASP H 1 42 ILE MD 5.000 . 6.000 3.446 3.278 3.593 . 0 0 "[ . 1 . 2]" 1
803 1 39 ASP HA 1 42 ILE HB 3.000 . 3.500 2.705 2.621 2.819 . 0 0 "[ . 1 . 2]" 1
804 1 39 ASP HA 1 42 ILE MD 4.000 . 4.750 1.953 1.856 2.101 . 0 0 "[ . 1 . 2]" 1
805 1 40 ALA H 1 43 GLU QB 5.000 . 6.000 4.715 4.613 5.164 . 0 0 "[ . 1 . 2]" 1
806 1 40 ALA HA 1 43 GLU H 4.000 . 4.750 3.605 3.500 3.758 . 0 0 "[ . 1 . 2]" 1
807 1 41 GLU HA 1 44 ALA H 4.000 . 4.750 3.553 3.478 3.666 . 0 0 "[ . 1 . 2]" 1
808 1 41 GLU HA 1 44 ALA MB 3.000 . 3.500 2.820 2.669 2.960 . 0 0 "[ . 1 . 2]" 1
809 1 41 GLU QB 1 44 ALA H 5.000 . 6.000 4.937 4.866 5.122 . 0 0 "[ . 1 . 2]" 1
810 1 41 GLU QG 1 44 ALA H 5.000 . 6.000 5.328 4.821 5.696 . 0 0 "[ . 1 . 2]" 1
811 1 42 ILE HA 1 45 ILE H 4.000 . 4.750 3.633 3.577 3.775 . 0 0 "[ . 1 . 2]" 1
812 1 42 ILE HA 1 45 ILE HB 3.000 . 3.500 2.859 2.795 2.971 . 0 0 "[ . 1 . 2]" 1
813 1 42 ILE HA 1 45 ILE MD 5.000 . 6.000 2.951 2.408 3.402 . 0 0 "[ . 1 . 2]" 1
814 1 43 GLU HA 1 46 PHE H 3.000 . 3.500 3.521 3.507 3.541 0.041 12 0 "[ . 1 . 2]" 1
815 1 44 ALA H 1 47 THR MG 5.000 . 6.000 4.330 3.959 4.624 . 0 0 "[ . 1 . 2]" 1
816 1 44 ALA HA 1 47 THR H 4.000 . 4.750 3.589 3.504 3.662 . 0 0 "[ . 1 . 2]" 1
817 1 44 ALA HA 1 47 THR MG 5.000 . 6.000 2.840 1.889 3.570 . 0 0 "[ . 1 . 2]" 1
818 1 58 THR H 1 61 GLU QB 4.000 . 4.750 2.156 2.027 2.524 . 0 0 "[ . 1 . 2]" 1
819 1 59 GLU HA 1 62 HIS H 4.000 . 4.750 3.519 3.441 3.570 . 0 0 "[ . 1 . 2]" 1
820 1 59 GLU HA 1 62 HIS HB3 3.000 . 3.500 2.827 2.549 3.087 . 0 0 "[ . 1 . 2]" 1
821 1 59 GLU HA 1 62 HIS HB2 4.000 . 4.750 3.327 2.908 3.574 . 0 0 "[ . 1 . 2]" 1
822 1 59 GLU HA 1 62 HIS HD2 5.000 . 6.000 5.856 5.389 6.005 0.005 13 0 "[ . 1 . 2]" 1
823 1 60 HIS HA 1 63 GLN H 5.000 . 6.000 3.512 3.433 3.581 . 0 0 "[ . 1 . 2]" 1
824 1 60 HIS HA 1 63 GLN HB3 4.000 . 4.750 3.249 2.874 3.690 . 0 0 "[ . 1 . 2]" 1
825 1 60 HIS HA 1 63 GLN HB2 5.000 . 6.000 3.003 2.683 3.299 . 0 0 "[ . 1 . 2]" 1
826 1 60 HIS HA 1 63 GLN QG 4.000 . 4.750 4.082 3.916 4.253 . 0 0 "[ . 1 . 2]" 1
827 1 60 HIS HD2 1 63 GLN HB3 5.000 . 6.000 4.720 4.138 5.131 . 0 0 "[ . 1 . 2]" 1
828 1 60 HIS HD2 1 63 GLN QG 5.000 . 6.000 5.809 5.607 6.002 0.002 5 0 "[ . 1 . 2]" 1
829 1 61 GLU HA 1 64 GLN H 5.000 . 6.000 3.635 3.539 3.752 . 0 0 "[ . 1 . 2]" 1
830 1 62 HIS HA 1 65 MET H 5.000 . 6.000 3.255 3.169 3.355 . 0 0 "[ . 1 . 2]" 1
831 1 62 HIS HA 1 65 MET ME 5.000 . 6.000 2.708 1.885 3.996 . 0 0 "[ . 1 . 2]" 1
832 1 62 HIS HA 1 65 MET QB 3.000 . 3.500 2.984 2.457 3.542 0.042 5 0 "[ . 1 . 2]" 1
833 1 62 HIS HD2 1 65 MET ME 5.000 . 6.000 2.712 1.988 4.011 . 0 0 "[ . 1 . 2]" 1
834 1 63 GLN HE21 1 66 ARG QB 4.000 . 4.750 3.152 2.509 4.624 . 0 0 "[ . 1 . 2]" 1
835 1 63 GLN HE21 1 66 ARG QD 4.000 . 4.750 3.681 2.859 4.754 0.004 2 0 "[ . 1 . 2]" 1
836 1 63 GLN HE22 1 66 ARG QB 4.000 . 4.750 3.365 2.677 4.728 . 0 0 "[ . 1 . 2]" 1
837 1 63 GLN HE22 1 66 ARG QD 4.000 . 4.750 4.024 2.586 4.756 0.006 19 0 "[ . 1 . 2]" 1
838 1 64 GLN HA 1 67 ASP QB 3.000 . 3.500 2.647 2.297 3.510 0.010 6 0 "[ . 1 . 2]" 1
839 1 64 GLN HE21 1 67 ASP QB 4.000 . 4.750 3.054 2.251 4.599 . 0 0 "[ . 1 . 2]" 1
840 1 64 GLN HE22 1 67 ASP QB 5.000 . 6.000 2.881 1.993 5.771 . 0 0 "[ . 1 . 2]" 1
841 1 65 MET HA 1 68 ASP H 5.000 . 6.000 3.705 3.469 3.873 . 0 0 "[ . 1 . 2]" 1
842 1 65 MET HA 1 68 ASP QB 4.000 . 4.750 2.868 2.552 3.142 . 0 0 "[ . 1 . 2]" 1
843 1 66 ARG HA 1 69 LEU H 4.000 . 4.750 3.617 3.430 3.844 . 0 0 "[ . 1 . 2]" 1
844 1 66 ARG HA 1 69 LEU MD1 5.000 . 6.000 3.756 3.208 5.101 . 0 0 "[ . 1 . 2]" 1
845 1 67 ASP HA 1 70 GLU H 4.000 . 4.750 3.531 3.409 3.721 . 0 0 "[ . 1 . 2]" 1
846 1 67 ASP HA 1 70 GLU QB 4.000 . 4.750 3.026 2.735 3.929 . 0 0 "[ . 1 . 2]" 1
847 1 68 ASP HA 1 71 LYS H 3.000 . 3.500 3.409 3.233 3.533 0.033 13 0 "[ . 1 . 2]" 1
848 1 68 ASP HA 1 71 LYS QB 4.000 . 4.750 2.855 2.186 3.852 . 0 0 "[ . 1 . 2]" 1
849 1 68 ASP HA 1 71 LYS QD 4.000 . 4.750 3.714 1.991 4.710 . 0 0 "[ . 1 . 2]" 1
850 1 69 LEU HA 1 72 GLU QB 3.000 . 3.500 3.276 2.826 3.541 0.041 1 0 "[ . 1 . 2]" 1
851 1 69 LEU HA 1 72 GLU QG 4.000 . 4.750 4.010 2.315 4.776 0.026 14 0 "[ . 1 . 2]" 1
852 1 70 GLU HA 1 73 ARG H 3.000 . 3.500 3.320 2.853 3.515 0.015 13 0 "[ . 1 . 2]" 1
853 1 70 GLU HA 1 73 ARG QB 4.000 . 4.750 4.433 2.674 4.769 0.019 2 0 "[ . 1 . 2]" 1
854 1 70 GLU HA 1 73 ARG QG 3.000 . 3.500 2.895 2.383 3.511 0.011 8 0 "[ . 1 . 2]" 1
855 1 71 LYS HA 1 74 GLU QB 4.000 . 4.750 4.198 3.282 4.754 0.004 20 0 "[ . 1 . 2]" 1
856 1 4 LEU MD2 1 8 THR HB 5.000 . 6.000 4.803 3.591 5.624 . 0 0 "[ . 1 . 2]" 1
857 1 6 LYS HA 1 10 ASP H 5.000 . 6.000 4.252 3.774 4.651 . 0 0 "[ . 1 . 2]" 1
858 1 7 ASN QB 1 11 ASP H 5.000 . 6.000 5.414 4.761 5.775 . 0 0 "[ . 1 . 2]" 1
859 1 8 THR HA 1 12 ILE H 5.000 . 6.000 4.228 3.836 4.408 . 0 0 "[ . 1 . 2]" 1
860 1 11 ASP HA 1 15 SER H 5.000 . 6.000 4.397 4.159 4.618 . 0 0 "[ . 1 . 2]" 1
861 1 14 GLU HA 1 18 GLN HE21 5.000 . 6.000 4.373 3.393 5.338 . 0 0 "[ . 1 . 2]" 1
862 1 14 GLU QG 1 18 GLN HE21 5.000 . 6.000 4.736 3.255 5.911 . 0 0 "[ . 1 . 2]" 1
863 1 14 GLU QG 1 18 GLN HE22 4.000 . 4.750 4.551 4.278 4.756 0.006 2 0 "[ . 1 . 2]" 1
864 1 17 ARG HA 1 21 GLY H 4.000 . 4.750 2.762 2.136 3.321 . 0 0 "[ . 1 . 2]" 1
865 1 19 GLY QA 1 23 LEU HG 3.000 . 3.500 2.548 2.326 3.274 . 0 0 "[ . 1 . 2]" 1
866 1 23 LEU MD1 1 27 GLU HB2 5.000 . 6.000 5.051 2.257 5.470 . 0 0 "[ . 1 . 2]" 1
867 1 23 LEU MD2 1 27 GLU HB2 4.000 . 4.750 3.007 2.376 4.775 0.025 7 0 "[ . 1 . 2]" 1
868 1 23 LEU QB 1 27 GLU HB2 4.000 . 4.750 3.196 2.906 3.671 . 0 0 "[ . 1 . 2]" 1
869 1 26 ASP HA 1 30 GLN H 4.000 . 4.750 4.011 3.950 4.067 . 0 0 "[ . 1 . 2]" 1
870 1 28 LEU HA 1 32 LEU MD1 5.000 . 6.000 4.352 3.901 4.714 . 0 0 "[ . 1 . 2]" 1
871 1 28 LEU HA 1 32 LEU MD2 5.000 . 6.000 5.826 5.175 6.003 0.003 15 0 "[ . 1 . 2]" 1
872 1 28 LEU HG 1 32 LEU MD1 5.000 . 6.000 2.953 2.353 3.359 . 0 0 "[ . 1 . 2]" 1
873 1 28 LEU MD1 1 32 LEU H 5.000 . 6.000 5.196 5.106 5.307 . 0 0 "[ . 1 . 2]" 1
874 1 28 LEU MD1 1 32 LEU HG 5.000 . 6.000 4.476 4.291 4.625 . 0 0 "[ . 1 . 2]" 1
875 1 28 LEU MD1 1 32 LEU MD1 5.000 . 6.000 4.205 3.756 4.547 . 0 0 "[ . 1 . 2]" 1
876 1 28 LEU MD1 1 32 LEU MD2 5.000 . 6.000 5.196 4.709 5.347 . 0 0 "[ . 1 . 2]" 1
877 1 28 LEU MD2 1 32 LEU H 5.000 . 6.000 6.009 5.998 6.020 0.020 20 0 "[ . 1 . 2]" 1
878 1 28 LEU MD2 1 32 LEU MD1 5.000 . 6.000 3.136 2.846 3.322 . 0 0 "[ . 1 . 2]" 1
879 1 33 LYS HA 1 37 HIS H 3.000 . 3.500 3.116 2.889 3.327 . 0 0 "[ . 1 . 2]" 1
880 1 33 LYS QB 1 37 HIS H 5.000 . 6.000 5.114 4.904 5.298 . 0 0 "[ . 1 . 2]" 1
881 1 38 THR H 1 42 ILE H 5.000 . 6.000 4.577 4.302 4.831 . 0 0 "[ . 1 . 2]" 1
882 1 38 THR H 1 42 ILE MD 5.000 . 6.000 3.765 3.546 4.085 . 0 0 "[ . 1 . 2]" 1
883 1 39 ASP HA 1 43 GLU H 5.000 . 6.000 3.814 3.639 4.002 . 0 0 "[ . 1 . 2]" 1
884 1 40 ALA MB 1 44 ALA H 5.000 . 6.000 4.731 4.694 4.766 . 0 0 "[ . 1 . 2]" 1
885 1 41 GLU HA 1 45 ILE H 4.000 . 4.750 4.103 3.996 4.182 . 0 0 "[ . 1 . 2]" 1
886 1 41 GLU QB 1 45 ILE MD 5.000 . 6.000 3.311 2.834 4.132 . 0 0 "[ . 1 . 2]" 1
887 1 42 ILE HA 1 46 PHE H 5.000 . 6.000 3.838 3.775 3.923 . 0 0 "[ . 1 . 2]" 1
888 1 42 ILE HA 1 46 PHE QD 5.000 . 6.000 3.601 3.344 4.678 . 0 0 "[ . 1 . 2]" 1
889 1 42 ILE HA 1 46 PHE QE 5.000 . 6.000 4.932 4.622 5.323 . 0 0 "[ . 1 . 2]" 1
890 1 43 GLU HA 1 47 THR MG 5.000 . 6.000 3.808 3.218 4.441 . 0 0 "[ . 1 . 2]" 1
891 1 45 ILE HA 1 49 TYR QD 3.000 . 3.500 3.094 2.818 3.382 . 0 0 "[ . 1 . 2]" 1
892 1 45 ILE HA 1 49 TYR QE 3.000 . 3.500 3.533 3.517 3.547 0.047 15 0 "[ . 1 . 2]" 1
893 1 45 ILE HB 1 49 TYR QE 5.000 . 6.000 5.223 4.826 5.680 . 0 0 "[ . 1 . 2]" 1
894 1 45 ILE MD 1 49 TYR QD 5.000 . 6.000 4.966 4.718 5.549 . 0 0 "[ . 1 . 2]" 1
895 1 45 ILE MD 1 49 TYR QE 5.000 . 6.000 4.438 3.906 5.270 . 0 0 "[ . 1 . 2]" 1
896 1 46 PHE QD 1 50 ASP HB2 4.000 . 4.750 3.381 3.253 3.835 . 0 0 "[ . 1 . 2]" 1
897 1 50 ASP HB3 1 54 ASP H 5.000 . 6.000 4.806 4.273 5.079 . 0 0 "[ . 1 . 2]" 1
898 1 57 LEU HA 1 61 GLU QB 5.000 . 6.000 3.063 2.897 3.350 . 0 0 "[ . 1 . 2]" 1
899 1 57 LEU MD1 1 61 GLU HA 5.000 . 6.000 4.322 4.168 4.600 . 0 0 "[ . 1 . 2]" 1
900 1 57 LEU MD1 1 61 GLU QB 5.000 . 6.000 1.944 1.851 2.208 . 0 0 "[ . 1 . 2]" 1
901 1 57 LEU MD2 1 61 GLU HA 5.000 . 6.000 6.010 5.904 6.039 0.039 13 0 "[ . 1 . 2]" 1
902 1 57 LEU MD2 1 61 GLU QB 5.000 . 6.000 3.636 3.584 3.721 . 0 0 "[ . 1 . 2]" 1
903 1 59 GLU HA 1 63 GLN H 5.000 . 6.000 4.003 3.695 4.109 . 0 0 "[ . 1 . 2]" 1
904 1 62 HIS HD2 1 66 ARG QD 5.000 . 6.000 5.925 5.663 6.024 0.024 11 0 "[ . 1 . 2]" 1
905 1 62 HIS HE1 1 66 ARG QB 5.000 . 6.000 5.521 4.117 6.015 0.015 19 0 "[ . 1 . 2]" 1
906 1 62 HIS HE1 1 66 ARG QD 5.000 . 6.000 3.139 2.250 3.944 . 0 0 "[ . 1 . 2]" 1
907 1 63 GLN HE21 1 67 ASP H 5.000 . 6.000 3.922 3.203 4.974 . 0 0 "[ . 1 . 2]" 1
908 1 63 GLN HE22 1 67 ASP H 4.000 . 4.750 4.298 3.368 4.753 0.003 12 0 "[ . 1 . 2]" 1
909 1 63 GLN HE22 1 67 ASP QB 5.000 . 6.000 4.262 2.788 5.298 . 0 0 "[ . 1 . 2]" 1
910 1 63 GLN QG 1 67 ASP H 5.000 . 6.000 5.054 4.415 5.765 . 0 0 "[ . 1 . 2]" 1
911 1 64 GLN HE21 1 68 ASP H 4.000 . 4.750 2.817 2.363 3.793 . 0 0 "[ . 1 . 2]" 1
912 1 64 GLN HE22 1 68 ASP H 4.000 . 4.750 3.833 2.608 4.756 0.006 6 0 "[ . 1 . 2]" 1
913 1 66 ARG QG 1 70 GLU H 5.000 . 6.000 5.878 5.640 6.028 0.028 11 0 "[ . 1 . 2]" 1
914 1 67 ASP HA 1 71 LYS H 4.000 . 4.750 4.446 3.955 4.757 0.007 5 0 "[ . 1 . 2]" 1
915 1 4 LEU MD2 1 9 VAL H 5.000 . 6.000 5.728 4.590 6.017 0.017 19 0 "[ . 1 . 2]" 1
916 1 4 LEU MD2 1 45 ILE HA 5.000 . 6.000 4.359 3.452 5.575 . 0 0 "[ . 1 . 2]" 1
917 1 4 LEU HA 1 49 TYR QE 5.000 . 6.000 5.954 5.212 6.082 0.082 14 0 "[ . 1 . 2]" 1
918 1 4 LEU MD1 1 49 TYR QE 4.000 . 4.750 3.879 3.040 4.706 . 0 0 "[ . 1 . 2]" 1
919 1 4 LEU MD2 1 49 TYR QD 5.000 . 6.000 4.188 3.565 5.318 . 0 0 "[ . 1 . 2]" 1
920 1 4 LEU MD2 1 49 TYR QE 4.000 . 4.750 2.528 1.780 3.705 0.020 12 0 "[ . 1 . 2]" 1
921 1 4 LEU MD1 1 68 ASP H 5.000 . 6.000 4.587 3.890 5.973 . 0 0 "[ . 1 . 2]" 1
922 1 4 LEU MD2 1 68 ASP H 5.000 . 6.000 5.898 5.362 6.060 0.060 14 0 "[ . 1 . 2]" 1
923 1 4 LEU MD2 1 68 ASP QB 4.000 . 4.750 3.506 2.793 4.115 . 0 0 "[ . 1 . 2]" 1
924 1 4 LEU H 1 69 LEU HA 5.000 . 6.000 4.911 4.012 6.047 0.047 6 0 "[ . 1 . 2]" 1
925 1 4 LEU H 1 69 LEU MD1 5.000 . 6.000 4.934 3.804 6.007 0.007 18 0 "[ . 1 . 2]" 1
926 1 4 LEU H 1 69 LEU MD2 5.000 . 6.000 5.381 4.124 6.019 0.019 13 0 "[ . 1 . 2]" 1
927 1 4 LEU HB3 1 69 LEU MD1 5.000 . 6.000 3.173 2.201 4.304 . 0 0 "[ . 1 . 2]" 1
928 1 4 LEU HG 1 69 LEU MD1 5.000 . 6.000 5.048 4.193 6.018 0.018 12 0 "[ . 1 . 2]" 1
929 1 4 LEU MD1 1 69 LEU H 5.000 . 6.000 3.509 2.401 4.578 . 0 0 "[ . 1 . 2]" 1
930 1 4 LEU MD2 1 69 LEU H 5.000 . 6.000 5.200 4.346 5.757 . 0 0 "[ . 1 . 2]" 1
931 1 4 LEU MD2 1 69 LEU HA 5.000 . 6.000 5.012 4.165 5.601 . 0 0 "[ . 1 . 2]" 1
932 1 4 LEU H 1 72 GLU QB 5.000 . 6.000 4.306 3.266 5.998 . 0 0 "[ . 1 . 2]" 1
933 1 5 LYS H 1 69 LEU MD1 5.000 . 6.000 3.581 2.612 4.509 . 0 0 "[ . 1 . 2]" 1
934 1 6 LYS H 1 69 LEU MD1 5.000 . 6.000 3.170 2.191 3.894 . 0 0 "[ . 1 . 2]" 1
935 1 6 LYS H 1 69 LEU MD2 5.000 . 6.000 2.900 2.020 3.594 . 0 0 "[ . 1 . 2]" 1
936 1 6 LYS HA 1 69 LEU MD1 4.000 . 4.750 2.125 1.830 3.248 . 0 0 "[ . 1 . 2]" 1
937 1 6 LYS HA 1 69 LEU MD2 4.000 . 4.750 2.690 1.897 3.832 . 0 0 "[ . 1 . 2]" 1
938 1 6 LYS QB 1 69 LEU MD1 4.000 . 4.750 3.397 2.436 4.759 0.009 20 0 "[ . 1 . 2]" 1
939 1 6 LYS QB 1 69 LEU MD2 4.000 . 4.750 2.746 1.804 4.519 . 0 0 "[ . 1 . 2]" 1
940 1 7 ASN HD21 1 37 HIS HE1 4.000 . 4.750 3.964 3.398 4.726 . 0 0 "[ . 1 . 2]" 1
941 1 7 ASN HD22 1 37 HIS HE1 4.000 . 4.750 4.534 4.210 4.755 0.005 14 0 "[ . 1 . 2]" 1
942 1 7 ASN H 1 69 LEU MD1 5.000 . 6.000 4.486 4.175 4.973 . 0 0 "[ . 1 . 2]" 1
943 1 7 ASN H 1 69 LEU MD2 5.000 . 6.000 4.848 4.119 5.880 . 0 0 "[ . 1 . 2]" 1
944 1 8 THR MG 1 32 LEU MD1 5.000 . 6.000 4.831 4.510 5.451 . 0 0 "[ . 1 . 2]" 1
945 1 8 THR MG 1 32 LEU MD2 5.000 . 6.000 4.077 3.546 4.714 . 0 0 "[ . 1 . 2]" 1
946 1 9 VAL HA 1 62 HIS HD2 5.000 . 6.000 5.278 4.868 5.899 . 0 0 "[ . 1 . 2]" 1
947 1 9 VAL HA 1 62 HIS HE1 4.000 . 4.750 4.650 3.828 4.760 0.010 3 0 "[ . 1 . 2]" 1
948 1 9 VAL HB 1 69 LEU MD1 4.000 . 4.750 3.330 2.841 4.755 0.005 12 0 "[ . 1 . 2]" 1
949 1 11 ASP HA 1 32 LEU MD2 5.000 . 6.000 4.453 3.951 4.807 . 0 0 "[ . 1 . 2]" 1
950 1 11 ASP QB 1 32 LEU MD2 4.000 . 4.750 2.555 2.077 3.318 . 0 0 "[ . 1 . 2]" 1
951 1 11 ASP HA 1 37 HIS HE1 4.000 . 4.750 4.768 4.754 4.783 0.033 9 0 "[ . 1 . 2]" 1
952 1 11 ASP H 1 45 ILE MD 5.000 . 6.000 6.025 6.003 6.055 0.055 6 0 "[ . 1 . 2]" 1
953 1 12 ILE H 1 32 LEU MD1 5.000 . 6.000 5.166 4.903 5.443 . 0 0 "[ . 1 . 2]" 1
954 1 12 ILE H 1 32 LEU MD2 4.000 . 4.750 3.849 3.636 4.025 . 0 0 "[ . 1 . 2]" 1
955 1 12 ILE HA 1 32 LEU MD1 5.000 . 6.000 3.624 3.414 3.816 . 0 0 "[ . 1 . 2]" 1
956 1 12 ILE HA 1 32 LEU MD2 5.000 . 6.000 3.159 2.969 3.399 . 0 0 "[ . 1 . 2]" 1
957 1 12 ILE MD 1 32 LEU MD1 5.000 . 6.000 3.793 1.798 4.331 0.002 19 0 "[ . 1 . 2]" 1
958 1 12 ILE MD 1 32 LEU MD2 5.000 . 6.000 3.618 1.816 4.572 . 0 0 "[ . 1 . 2]" 1
959 1 12 ILE MD 1 49 TYR QE 5.000 . 6.000 4.208 3.321 6.011 0.011 19 0 "[ . 1 . 2]" 1
960 1 12 ILE HB 1 62 HIS HE1 4.000 . 4.750 4.558 3.453 4.771 0.021 11 0 "[ . 1 . 2]" 1
961 1 12 ILE MD 1 62 HIS HD2 5.000 . 6.000 4.191 3.358 5.169 . 0 0 "[ . 1 . 2]" 1
962 1 12 ILE MD 1 62 HIS HE1 5.000 . 6.000 5.547 5.187 6.088 0.088 19 0 "[ . 1 . 2]" 1
963 1 13 SER HA 1 62 HIS HD2 5.000 . 6.000 3.956 3.377 4.886 . 0 0 "[ . 1 . 2]" 1
964 1 13 SER QB 1 62 HIS HD2 5.000 . 6.000 4.970 4.344 5.816 . 0 0 "[ . 1 . 2]" 1
965 1 15 SER HA 1 23 LEU MD1 5.000 . 6.000 4.638 4.041 5.257 . 0 0 "[ . 1 . 2]" 1
966 1 15 SER QB 1 23 LEU MD1 4.000 . 4.750 4.033 3.417 4.599 . 0 0 "[ . 1 . 2]" 1
967 1 15 SER QB 1 23 LEU MD2 4.000 . 4.750 4.100 3.442 4.702 . 0 0 "[ . 1 . 2]" 1
968 1 15 SER QB 1 28 LEU HG 3.000 . 3.500 3.270 2.726 3.511 0.011 12 0 "[ . 1 . 2]" 1
969 1 15 SER QB 1 28 LEU MD1 4.000 . 4.750 2.495 2.053 2.852 . 0 0 "[ . 1 . 2]" 1
970 1 15 SER QB 1 31 ASP QB 5.000 . 6.000 2.216 1.896 2.727 . 0 0 "[ . 1 . 2]" 1
971 1 15 SER QB 1 32 LEU MD1 5.000 . 6.000 4.295 3.772 4.543 . 0 0 "[ . 1 . 2]" 1
972 1 16 LEU HA 1 21 GLY H 4.000 . 4.750 4.410 4.291 4.545 . 0 0 "[ . 1 . 2]" 1
973 1 16 LEU HB3 1 21 GLY H 5.000 . 6.000 4.642 4.164 5.588 . 0 0 "[ . 1 . 2]" 1
974 1 16 LEU HB2 1 21 GLY H 5.000 . 6.000 5.828 5.641 6.017 0.017 20 0 "[ . 1 . 2]" 1
975 1 16 LEU MD2 1 21 GLY H 5.000 . 6.000 3.611 2.991 4.095 . 0 0 "[ . 1 . 2]" 1
976 1 16 LEU MD2 1 22 LYS HA 5.000 . 6.000 3.205 2.540 3.888 . 0 0 "[ . 1 . 2]" 1
977 1 16 LEU H 1 23 LEU MD1 5.000 . 6.000 4.072 3.712 5.419 . 0 0 "[ . 1 . 2]" 1
978 1 16 LEU HA 1 23 LEU H 5.000 . 6.000 5.402 4.934 5.996 . 0 0 "[ . 1 . 2]" 1
979 1 16 LEU MD1 1 23 LEU H 5.000 . 6.000 4.321 3.491 5.878 . 0 0 "[ . 1 . 2]" 1
980 1 16 LEU MD1 1 23 LEU HG 5.000 . 6.000 5.350 3.429 5.957 . 0 0 "[ . 1 . 2]" 1
981 1 16 LEU MD2 1 23 LEU H 5.000 . 6.000 3.975 3.197 4.498 . 0 0 "[ . 1 . 2]" 1
982 1 16 LEU MD2 1 23 LEU HG 5.000 . 6.000 5.308 3.629 6.009 0.009 19 0 "[ . 1 . 2]" 1
983 1 16 LEU MD2 1 23 LEU MD2 5.000 . 6.000 5.107 3.208 5.998 . 0 0 "[ . 1 . 2]" 1
984 1 16 LEU MD2 1 23 LEU QB 5.000 . 6.000 4.014 2.654 4.574 . 0 0 "[ . 1 . 2]" 1
985 1 16 LEU MD1 1 28 LEU MD1 5.000 . 6.000 2.745 1.887 4.691 . 0 0 "[ . 1 . 2]" 1
986 1 16 LEU MD1 1 28 LEU MD2 5.000 . 6.000 2.675 1.809 5.358 . 0 0 "[ . 1 . 2]" 1
987 1 16 LEU MD2 1 57 LEU H 5.000 . 6.000 5.892 5.385 6.030 0.030 10 0 "[ . 1 . 2]" 1
988 1 16 LEU MD2 1 57 LEU HB3 5.000 . 6.000 4.060 3.603 4.246 . 0 0 "[ . 1 . 2]" 1
989 1 16 LEU MD2 1 57 LEU HB2 5.000 . 6.000 5.526 4.987 5.738 . 0 0 "[ . 1 . 2]" 1
990 1 16 LEU MD2 1 58 THR HA 5.000 . 6.000 3.305 2.829 4.023 . 0 0 "[ . 1 . 2]" 1
991 1 16 LEU MD1 1 59 GLU H 5.000 . 6.000 5.042 4.704 5.510 . 0 0 "[ . 1 . 2]" 1
992 1 16 LEU MD1 1 59 GLU HA 4.000 . 4.750 4.215 3.276 4.754 0.004 15 0 "[ . 1 . 2]" 1
993 1 16 LEU MD1 1 59 GLU QB 5.000 . 6.000 5.300 3.860 6.007 0.007 14 0 "[ . 1 . 2]" 1
994 1 16 LEU MD1 1 59 GLU QG 5.000 . 6.000 4.950 2.873 6.009 0.009 18 0 "[ . 1 . 2]" 1
995 1 16 LEU MD2 1 59 GLU H 5.000 . 6.000 3.515 2.860 4.244 . 0 0 "[ . 1 . 2]" 1
996 1 16 LEU MD1 1 62 HIS H 5.000 . 6.000 4.711 4.082 5.627 . 0 0 "[ . 1 . 2]" 1
997 1 16 LEU MD1 1 62 HIS HA 5.000 . 6.000 4.841 4.115 5.999 . 0 0 "[ . 1 . 2]" 1
998 1 16 LEU MD1 1 62 HIS HB3 4.000 . 4.750 4.027 3.671 4.333 . 0 0 "[ . 1 . 2]" 1
999 1 16 LEU MD1 1 62 HIS HB2 4.000 . 4.750 3.111 2.397 4.150 . 0 0 "[ . 1 . 2]" 1
1000 1 16 LEU MD1 1 62 HIS HD2 5.000 . 6.000 2.984 1.918 4.809 . 0 0 "[ . 1 . 2]" 1
1001 1 16 LEU MD1 1 62 HIS HE1 5.000 . 6.000 5.182 4.360 5.868 . 0 0 "[ . 1 . 2]" 1
1002 1 16 LEU MD2 1 62 HIS H 5.000 . 6.000 4.210 3.555 5.176 . 0 0 "[ . 1 . 2]" 1
1003 1 16 LEU MD2 1 62 HIS HB3 5.000 . 6.000 3.325 2.470 4.464 . 0 0 "[ . 1 . 2]" 1
1004 1 16 LEU MD2 1 62 HIS HD2 5.000 . 6.000 3.640 2.950 4.354 . 0 0 "[ . 1 . 2]" 1
1005 1 17 ARG H 1 23 LEU MD1 5.000 . 6.000 4.445 4.219 6.011 0.011 7 0 "[ . 1 . 2]" 1
1006 1 21 GLY QA 1 28 LEU MD1 5.000 . 6.000 5.748 5.377 6.018 0.018 7 0 "[ . 1 . 2]" 1
1007 1 21 GLY QA 1 59 GLU QG 4.000 . 4.750 3.183 1.908 4.210 . 0 0 "[ . 1 . 2]" 1
1008 1 22 LYS HA 1 58 THR MG 5.000 . 6.000 3.066 2.549 3.814 . 0 0 "[ . 1 . 2]" 1
1009 1 22 LYS QB 1 58 THR HA 4.000 . 4.750 3.465 2.659 4.299 . 0 0 "[ . 1 . 2]" 1
1010 1 22 LYS QB 1 58 THR MG 3.000 . 3.500 2.639 1.986 3.509 0.009 8 0 "[ . 1 . 2]" 1
1011 1 22 LYS QG 1 58 THR HA 5.000 . 6.000 4.025 2.554 5.179 . 0 0 "[ . 1 . 2]" 1
1012 1 23 LEU MD1 1 28 LEU H 5.000 . 6.000 5.029 3.198 5.432 . 0 0 "[ . 1 . 2]" 1
1013 1 23 LEU MD1 1 28 LEU HA 5.000 . 6.000 4.137 3.401 4.652 . 0 0 "[ . 1 . 2]" 1
1014 1 23 LEU QB 1 28 LEU H 5.000 . 6.000 3.001 2.860 3.196 . 0 0 "[ . 1 . 2]" 1
1015 1 23 LEU QB 1 28 LEU MD1 5.000 . 6.000 1.793 1.781 1.833 0.019 13 0 "[ . 1 . 2]" 1
1016 1 23 LEU MD1 1 31 ASP QB 5.000 . 6.000 4.750 4.162 5.196 . 0 0 "[ . 1 . 2]" 1
1017 1 23 LEU QB 1 46 PHE QE 5.000 . 6.000 4.808 4.455 4.957 . 0 0 "[ . 1 . 2]" 1
1018 1 23 LEU H 1 56 GLU QG 4.000 . 4.750 3.506 3.148 3.904 . 0 0 "[ . 1 . 2]" 1
1019 1 23 LEU H 1 57 LEU H 4.000 . 4.750 3.760 3.594 3.936 . 0 0 "[ . 1 . 2]" 1
1020 1 23 LEU H 1 57 LEU HB3 4.000 . 4.750 4.090 3.743 4.305 . 0 0 "[ . 1 . 2]" 1
1021 1 23 LEU H 1 58 THR HA 4.000 . 4.750 3.279 3.061 3.476 . 0 0 "[ . 1 . 2]" 1
1022 1 23 LEU H 1 58 THR MG 5.000 . 6.000 3.788 3.083 4.839 . 0 0 "[ . 1 . 2]" 1
1023 1 24 ASN HA 1 46 PHE HZ 5.000 . 6.000 4.862 4.363 5.000 . 0 0 "[ . 1 . 2]" 1
1024 1 24 ASN HA 1 46 PHE QE 5.000 . 6.000 3.908 3.742 4.616 . 0 0 "[ . 1 . 2]" 1
1025 1 24 ASN HA 1 56 GLU HB2 5.000 . 6.000 3.599 3.074 4.231 . 0 0 "[ . 1 . 2]" 1
1026 1 24 ASN HA 1 56 GLU QG 5.000 . 6.000 2.078 1.885 2.445 . 0 0 "[ . 1 . 2]" 1
1027 1 24 ASN HA 1 57 LEU H 5.000 . 6.000 2.816 2.421 2.970 . 0 0 "[ . 1 . 2]" 1
1028 1 25 PHE QE 1 42 ILE HA 5.000 . 6.000 5.998 5.945 6.014 0.014 16 0 "[ . 1 . 2]" 1
1029 1 25 PHE QE 1 42 ILE HB 4.000 . 4.750 4.767 4.761 4.780 0.030 12 0 "[ . 1 . 2]" 1
1030 1 25 PHE HZ 1 43 GLU H 5.000 . 6.000 5.954 5.864 6.003 0.003 12 0 "[ . 1 . 2]" 1
1031 1 25 PHE HZ 1 43 GLU HA 4.000 . 4.750 3.144 3.057 3.203 . 0 0 "[ . 1 . 2]" 1
1032 1 25 PHE HZ 1 43 GLU QB 4.000 . 4.750 4.621 4.080 4.768 0.018 4 0 "[ . 1 . 2]" 1
1033 1 25 PHE HZ 1 43 GLU QG 4.000 . 4.750 3.551 3.020 4.741 . 0 0 "[ . 1 . 2]" 1
1034 1 25 PHE QD 1 43 GLU HA 5.000 . 6.000 4.718 4.367 4.831 . 0 0 "[ . 1 . 2]" 1
1035 1 25 PHE QD 1 43 GLU QG 5.000 . 6.000 5.391 4.297 5.904 . 0 0 "[ . 1 . 2]" 1
1036 1 25 PHE QE 1 43 GLU H 5.000 . 6.000 4.636 4.430 4.698 . 0 0 "[ . 1 . 2]" 1
1037 1 25 PHE QE 1 43 GLU HA 3.000 . 3.500 2.473 2.272 2.567 . 0 0 "[ . 1 . 2]" 1
1038 1 25 PHE QE 1 43 GLU QB 3.000 . 3.500 3.510 3.341 3.531 0.031 9 0 "[ . 1 . 2]" 1
1039 1 25 PHE QE 1 43 GLU QG 4.000 . 4.750 3.497 2.502 3.944 . 0 0 "[ . 1 . 2]" 1
1040 1 25 PHE H 1 46 PHE HZ 4.000 . 4.750 4.713 4.431 4.767 0.017 15 0 "[ . 1 . 2]" 1
1041 1 25 PHE H 1 46 PHE QD 4.000 . 4.750 4.783 4.725 4.965 0.215 12 0 "[ . 1 . 2]" 1
1042 1 25 PHE H 1 46 PHE QE 4.000 . 4.750 3.370 3.149 4.278 . 0 0 "[ . 1 . 2]" 1
1043 1 25 PHE HA 1 46 PHE HZ 4.000 . 4.750 2.882 2.737 3.066 . 0 0 "[ . 1 . 2]" 1
1044 1 25 PHE HA 1 46 PHE QD 3.000 . 3.500 3.489 3.047 3.555 0.055 9 0 "[ . 1 . 2]" 1
1045 1 25 PHE HA 1 46 PHE QE 3.000 . 3.500 2.224 1.809 2.313 . 0 0 "[ . 1 . 2]" 1
1046 1 25 PHE HB3 1 46 PHE HZ 5.000 . 6.000 5.714 5.540 5.789 . 0 0 "[ . 1 . 2]" 1
1047 1 25 PHE HB3 1 46 PHE QD 5.000 . 6.000 4.985 4.239 5.088 . 0 0 "[ . 1 . 2]" 1
1048 1 25 PHE HB3 1 46 PHE QE 4.000 . 4.750 4.601 3.919 4.722 . 0 0 "[ . 1 . 2]" 1
1049 1 25 PHE HB2 1 46 PHE QD 4.000 . 4.750 4.486 4.426 4.793 0.043 12 0 "[ . 1 . 2]" 1
1050 1 25 PHE HB2 1 46 PHE QE 4.000 . 4.750 4.003 3.843 4.555 . 0 0 "[ . 1 . 2]" 1
1051 1 25 PHE HZ 1 46 PHE H 5.000 . 6.000 4.556 4.494 4.615 . 0 0 "[ . 1 . 2]" 1
1052 1 25 PHE HZ 1 46 PHE QB 3.000 . 3.500 1.871 1.839 2.011 . 0 0 "[ . 1 . 2]" 1
1053 1 25 PHE QD 1 46 PHE QB 4.000 . 4.750 3.747 3.529 3.792 . 0 0 "[ . 1 . 2]" 1
1054 1 25 PHE QD 1 46 PHE QD 3.000 . 3.500 2.834 2.760 2.881 . 0 0 "[ . 1 . 2]" 1
1055 1 25 PHE QE 1 46 PHE H 4.000 . 4.750 4.778 4.766 4.791 0.041 6 0 "[ . 1 . 2]" 1
1056 1 25 PHE QE 1 46 PHE QB 3.000 . 3.500 2.452 2.169 2.518 . 0 0 "[ . 1 . 2]" 1
1057 1 25 PHE HZ 1 47 THR HA 4.000 . 4.750 3.821 3.710 3.906 . 0 0 "[ . 1 . 2]" 1
1058 1 25 PHE QE 1 47 THR HA 4.000 . 4.750 4.093 3.966 4.308 . 0 0 "[ . 1 . 2]" 1
1059 1 25 PHE QE 1 47 THR MG 5.000 . 6.000 4.341 3.578 5.441 . 0 0 "[ . 1 . 2]" 1
1060 1 25 PHE HZ 1 50 ASP H 5.000 . 6.000 5.872 5.806 5.923 . 0 0 "[ . 1 . 2]" 1
1061 1 25 PHE HZ 1 50 ASP HB3 4.000 . 4.750 4.742 4.620 4.761 0.011 8 0 "[ . 1 . 2]" 1
1062 1 25 PHE HZ 1 50 ASP HB2 4.000 . 4.750 4.801 4.786 4.807 0.057 13 0 "[ . 1 . 2]" 1
1063 1 25 PHE QD 1 50 ASP HB2 4.000 . 4.750 4.809 4.784 4.876 0.126 4 0 "[ . 1 . 2]" 1
1064 1 25 PHE QE 1 50 ASP HA 5.000 . 6.000 5.737 5.663 5.775 . 0 0 "[ . 1 . 2]" 1
1065 1 25 PHE QE 1 50 ASP HB3 4.000 . 4.750 3.479 3.386 3.644 . 0 0 "[ . 1 . 2]" 1
1066 1 25 PHE QE 1 50 ASP HB2 3.000 . 3.500 3.408 3.261 3.466 . 0 0 "[ . 1 . 2]" 1
1067 1 25 PHE H 1 55 GLN QB 3.000 . 3.500 3.541 3.506 3.564 0.064 20 0 "[ . 1 . 2]" 1
1068 1 25 PHE HB2 1 55 GLN QB 5.000 . 6.000 2.737 2.540 2.919 . 0 0 "[ . 1 . 2]" 1
1069 1 25 PHE QD 1 55 GLN HE22 5.000 . 6.000 4.738 3.123 6.008 0.008 13 0 "[ . 1 . 2]" 1
1070 1 25 PHE QD 1 55 GLN QG 5.000 . 6.000 3.559 2.674 4.287 . 0 0 "[ . 1 . 2]" 1
1071 1 25 PHE QE 1 55 GLN H 5.000 . 6.000 4.109 3.890 4.234 . 0 0 "[ . 1 . 2]" 1
1072 1 25 PHE QE 1 55 GLN QG 5.000 . 6.000 4.230 3.380 4.810 . 0 0 "[ . 1 . 2]" 1
1073 1 25 PHE QE 1 56 GLU H 5.000 . 6.000 4.683 4.284 4.861 . 0 0 "[ . 1 . 2]" 1
1074 1 25 PHE H 1 57 LEU H 5.000 . 6.000 4.261 4.109 4.641 . 0 0 "[ . 1 . 2]" 1
1075 1 25 PHE HZ 1 57 LEU MD2 5.000 . 6.000 6.041 6.025 6.065 0.065 4 0 "[ . 1 . 2]" 1
1076 1 25 PHE QD 1 57 LEU HB2 5.000 . 6.000 5.476 5.358 5.648 . 0 0 "[ . 1 . 2]" 1
1077 1 25 PHE QD 1 57 LEU MD1 5.000 . 6.000 5.233 4.983 5.632 . 0 0 "[ . 1 . 2]" 1
1078 1 25 PHE QD 1 57 LEU MD2 5.000 . 6.000 5.608 5.560 5.723 . 0 0 "[ . 1 . 2]" 1
1079 1 28 LEU HB3 1 46 PHE HZ 4.000 . 4.750 1.829 1.771 1.894 0.029 4 0 "[ . 1 . 2]" 1
1080 1 28 LEU HB3 1 46 PHE QD 5.000 . 6.000 4.487 4.246 4.732 . 0 0 "[ . 1 . 2]" 1
1081 1 28 LEU HB3 1 46 PHE QE 3.000 . 3.500 2.327 2.001 2.788 . 0 0 "[ . 1 . 2]" 1
1082 1 28 LEU HG 1 46 PHE HZ 4.000 . 4.750 3.607 3.452 3.731 . 0 0 "[ . 1 . 2]" 1
1083 1 28 LEU HG 1 46 PHE QD 5.000 . 6.000 5.574 5.149 6.029 0.029 4 0 "[ . 1 . 2]" 1
1084 1 28 LEU HG 1 46 PHE QE 4.000 . 4.750 3.407 2.977 4.308 . 0 0 "[ . 1 . 2]" 1
1085 1 28 LEU MD1 1 46 PHE QE 4.000 . 4.750 4.257 4.075 4.420 . 0 0 "[ . 1 . 2]" 1
1086 1 28 LEU MD2 1 46 PHE QD 5.000 . 6.000 3.783 3.567 3.946 . 0 0 "[ . 1 . 2]" 1
1087 1 28 LEU MD2 1 46 PHE QE 4.000 . 4.750 2.158 1.956 2.352 . 0 0 "[ . 1 . 2]" 1
1088 1 28 LEU MD2 1 57 LEU H 5.000 . 6.000 3.876 3.643 4.238 . 0 0 "[ . 1 . 2]" 1
1089 1 29 ARG H 1 42 ILE MD 5.000 . 6.000 5.311 4.926 5.447 . 0 0 "[ . 1 . 2]" 1
1090 1 29 ARG HA 1 42 ILE MD 4.000 . 4.750 2.961 2.663 3.102 . 0 0 "[ . 1 . 2]" 1
1091 1 29 ARG HE 1 42 ILE MD 5.000 . 6.000 4.008 3.351 5.480 . 0 0 "[ . 1 . 2]" 1
1092 1 29 ARG QG 1 42 ILE H 5.000 . 6.000 5.137 4.972 5.357 . 0 0 "[ . 1 . 2]" 1
1093 1 29 ARG QG 1 42 ILE MD 4.000 . 4.750 2.152 1.798 2.362 0.002 4 0 "[ . 1 . 2]" 1
1094 1 29 ARG QG 1 43 GLU H 5.000 . 6.000 5.060 4.822 5.618 . 0 0 "[ . 1 . 2]" 1
1095 1 29 ARG H 1 46 PHE HZ 5.000 . 6.000 3.788 3.690 3.864 . 0 0 "[ . 1 . 2]" 1
1096 1 29 ARG H 1 46 PHE QE 5.000 . 6.000 3.991 3.141 4.210 . 0 0 "[ . 1 . 2]" 1
1097 1 29 ARG HB2 1 46 PHE HZ 4.000 . 4.750 4.804 4.784 4.822 0.072 18 0 "[ . 1 . 2]" 1
1098 1 29 ARG HB2 1 46 PHE QD 5.000 . 6.000 5.092 4.389 5.368 . 0 0 "[ . 1 . 2]" 1
1099 1 29 ARG HB2 1 46 PHE QE 4.000 . 4.750 4.265 2.912 4.496 . 0 0 "[ . 1 . 2]" 1
1100 1 29 ARG QG 1 46 PHE HZ 5.000 . 6.000 6.021 6.011 6.038 0.038 12 0 "[ . 1 . 2]" 1
1101 1 29 ARG QG 1 46 PHE QD 5.000 . 6.000 5.086 4.808 5.301 . 0 0 "[ . 1 . 2]" 1
1102 1 29 ARG QG 1 46 PHE QE 5.000 . 6.000 4.856 4.209 5.039 . 0 0 "[ . 1 . 2]" 1
1103 1 30 GLN H 1 42 ILE MD 5.000 . 6.000 5.481 5.344 5.601 . 0 0 "[ . 1 . 2]" 1
1104 1 32 LEU H 1 37 HIS HD2 5.000 . 6.000 5.200 4.989 5.297 . 0 0 "[ . 1 . 2]" 1
1105 1 32 LEU HA 1 37 HIS HD2 3.000 . 3.500 2.481 2.272 2.587 . 0 0 "[ . 1 . 2]" 1
1106 1 32 LEU HB3 1 37 HIS H 5.000 . 6.000 4.240 4.048 4.434 . 0 0 "[ . 1 . 2]" 1
1107 1 32 LEU HB3 1 37 HIS HB3 4.000 . 4.750 3.197 2.932 3.666 . 0 0 "[ . 1 . 2]" 1
1108 1 32 LEU HB3 1 37 HIS HB2 4.000 . 4.750 2.135 1.949 2.404 . 0 0 "[ . 1 . 2]" 1
1109 1 32 LEU HB3 1 37 HIS HD2 4.000 . 4.750 3.502 3.297 3.572 . 0 0 "[ . 1 . 2]" 1
1110 1 32 LEU HB2 1 37 HIS HB2 4.000 . 4.750 3.826 3.606 4.099 . 0 0 "[ . 1 . 2]" 1
1111 1 32 LEU HB2 1 37 HIS HD2 4.000 . 4.750 4.740 4.494 4.764 0.014 8 0 "[ . 1 . 2]" 1
1112 1 32 LEU HG 1 37 HIS HD2 5.000 . 6.000 4.455 4.262 4.967 . 0 0 "[ . 1 . 2]" 1
1113 1 32 LEU MD1 1 37 HIS H 5.000 . 6.000 5.912 5.755 6.001 0.001 19 0 "[ . 1 . 2]" 1
1114 1 32 LEU MD1 1 37 HIS HB3 5.000 . 6.000 3.938 3.753 4.069 . 0 0 "[ . 1 . 2]" 1
1115 1 32 LEU MD1 1 37 HIS HB2 5.000 . 6.000 3.926 3.695 4.039 . 0 0 "[ . 1 . 2]" 1
1116 1 32 LEU MD1 1 37 HIS HD2 5.000 . 6.000 4.798 4.403 4.963 . 0 0 "[ . 1 . 2]" 1
1117 1 32 LEU MD1 1 37 HIS HE1 5.000 . 6.000 5.840 5.599 6.010 0.010 2 0 "[ . 1 . 2]" 1
1118 1 32 LEU MD2 1 37 HIS H 5.000 . 6.000 4.222 4.112 4.548 . 0 0 "[ . 1 . 2]" 1
1119 1 32 LEU MD2 1 37 HIS HB2 5.000 . 6.000 2.637 2.451 3.135 . 0 0 "[ . 1 . 2]" 1
1120 1 32 LEU MD2 1 37 HIS HD2 4.000 . 4.750 2.435 2.109 2.607 . 0 0 "[ . 1 . 2]" 1
1121 1 32 LEU MD2 1 37 HIS HE1 5.000 . 6.000 3.654 3.473 4.314 . 0 0 "[ . 1 . 2]" 1
1122 1 32 LEU H 1 42 ILE MD 5.000 . 6.000 4.366 4.230 4.632 . 0 0 "[ . 1 . 2]" 1
1123 1 32 LEU HA 1 42 ILE MD 5.000 . 6.000 4.601 4.452 5.008 . 0 0 "[ . 1 . 2]" 1
1124 1 32 LEU HB3 1 42 ILE MD 5.000 . 6.000 2.385 2.193 2.786 . 0 0 "[ . 1 . 2]" 1
1125 1 32 LEU MD1 1 42 ILE H 5.000 . 6.000 4.709 4.450 5.025 . 0 0 "[ . 1 . 2]" 1
1126 1 32 LEU MD1 1 42 ILE HA 5.000 . 6.000 3.043 2.862 3.425 . 0 0 "[ . 1 . 2]" 1
1127 1 32 LEU MD1 1 46 PHE HZ 5.000 . 6.000 4.148 3.762 4.409 . 0 0 "[ . 1 . 2]" 1
1128 1 32 LEU MD1 1 46 PHE QD 5.000 . 6.000 3.473 3.212 4.681 . 0 0 "[ . 1 . 2]" 1
1129 1 32 LEU MD1 1 46 PHE QE 5.000 . 6.000 2.538 2.247 3.696 . 0 0 "[ . 1 . 2]" 1
1130 1 33 LYS QD 1 39 ASP H 5.000 . 6.000 4.483 3.444 5.322 . 0 0 "[ . 1 . 2]" 1
1131 1 33 LYS QE 1 39 ASP H 5.000 . 6.000 4.252 2.332 5.497 . 0 0 "[ . 1 . 2]" 1
1132 1 33 LYS H 1 42 ILE MD 5.000 . 6.000 3.344 3.106 3.760 . 0 0 "[ . 1 . 2]" 1
1133 1 33 LYS HA 1 42 ILE MD 5.000 . 6.000 3.322 3.087 3.849 . 0 0 "[ . 1 . 2]" 1
1134 1 33 LYS QG 1 42 ILE MD 3.000 . 3.500 2.758 2.168 3.525 0.025 12 0 "[ . 1 . 2]" 1
1135 1 37 HIS H 1 42 ILE MD 5.000 . 6.000 4.369 4.167 4.785 . 0 0 "[ . 1 . 2]" 1
1136 1 37 HIS HB3 1 42 ILE H 5.000 . 6.000 4.307 4.102 4.552 . 0 0 "[ . 1 . 2]" 1
1137 1 37 HIS HB3 1 42 ILE MD 4.000 . 4.750 3.019 2.624 3.468 . 0 0 "[ . 1 . 2]" 1
1138 1 37 HIS HB2 1 42 ILE MD 4.000 . 4.750 2.785 2.573 3.266 . 0 0 "[ . 1 . 2]" 1
1139 1 37 HIS HD2 1 42 ILE MD 5.000 . 6.000 4.961 4.787 5.481 . 0 0 "[ . 1 . 2]" 1
1140 1 46 PHE QD 1 55 GLN QB 5.000 . 6.000 5.582 5.215 5.958 . 0 0 "[ . 1 . 2]" 1
1141 1 46 PHE H 1 57 LEU MD1 5.000 . 6.000 5.430 5.092 5.865 . 0 0 "[ . 1 . 2]" 1
1142 1 46 PHE HA 1 57 LEU MD1 4.000 . 4.750 2.982 2.624 3.528 . 0 0 "[ . 1 . 2]" 1
1143 1 46 PHE HA 1 57 LEU MD2 5.000 . 6.000 2.636 2.292 2.739 . 0 0 "[ . 1 . 2]" 1
1144 1 46 PHE HZ 1 57 LEU H 5.000 . 6.000 4.367 4.180 4.959 . 0 0 "[ . 1 . 2]" 1
1145 1 46 PHE HZ 1 57 LEU HB3 5.000 . 6.000 4.175 3.946 4.816 . 0 0 "[ . 1 . 2]" 1
1146 1 46 PHE QD 1 57 LEU HB3 5.000 . 6.000 5.202 3.978 5.445 . 0 0 "[ . 1 . 2]" 1
1147 1 46 PHE QD 1 57 LEU HB2 5.000 . 6.000 3.719 2.660 3.954 . 0 0 "[ . 1 . 2]" 1
1148 1 46 PHE QD 1 57 LEU MD1 5.000 . 6.000 3.464 3.070 3.715 . 0 0 "[ . 1 . 2]" 1
1149 1 46 PHE QD 1 57 LEU MD2 5.000 . 6.000 3.083 1.796 3.319 0.004 4 0 "[ . 1 . 2]" 1
1150 1 46 PHE QE 1 57 LEU H 5.000 . 6.000 3.183 2.981 3.798 . 0 0 "[ . 1 . 2]" 1
1151 1 46 PHE QE 1 57 LEU HB3 4.000 . 4.750 3.959 2.632 4.261 . 0 0 "[ . 1 . 2]" 1
1152 1 46 PHE QE 1 57 LEU HB2 4.000 . 4.750 2.579 1.982 2.803 . 0 0 "[ . 1 . 2]" 1
1153 1 46 PHE QE 1 57 LEU MD1 4.000 . 4.750 3.817 3.648 3.957 . 0 0 "[ . 1 . 2]" 1
1154 1 46 PHE QE 1 57 LEU MD2 4.000 . 4.750 3.033 1.940 3.341 . 0 0 "[ . 1 . 2]" 1
1155 1 46 PHE QD 1 65 MET ME 5.000 . 6.000 5.505 4.894 6.008 0.008 16 0 "[ . 1 . 2]" 1
1156 1 46 PHE QE 1 65 MET ME 5.000 . 6.000 5.686 5.199 6.007 0.007 3 0 "[ . 1 . 2]" 1
1157 1 49 TYR HB3 1 57 LEU MD1 4.000 . 4.750 2.715 2.063 2.903 . 0 0 "[ . 1 . 2]" 1
1158 1 49 TYR HB3 1 57 LEU MD2 4.000 . 4.750 3.788 3.138 4.236 . 0 0 "[ . 1 . 2]" 1
1159 1 49 TYR HB2 1 57 LEU MD1 5.000 . 6.000 2.594 2.217 2.937 . 0 0 "[ . 1 . 2]" 1
1160 1 49 TYR HB2 1 57 LEU MD2 5.000 . 6.000 3.206 2.384 3.558 . 0 0 "[ . 1 . 2]" 1
1161 1 49 TYR QD 1 57 LEU MD1 5.000 . 6.000 4.031 3.730 4.275 . 0 0 "[ . 1 . 2]" 1
1162 1 49 TYR QE 1 61 GLU HA 5.000 . 6.000 5.933 5.667 6.023 0.023 5 0 "[ . 1 . 2]" 1
1163 1 49 TYR QE 1 62 HIS HA 5.000 . 6.000 5.079 4.593 5.450 . 0 0 "[ . 1 . 2]" 1
1164 1 49 TYR QD 1 64 GLN QB 4.000 . 4.750 2.827 2.111 4.372 . 0 0 "[ . 1 . 2]" 1
1165 1 49 TYR QE 1 64 GLN HA 5.000 . 6.000 4.839 4.140 5.358 . 0 0 "[ . 1 . 2]" 1
1166 1 49 TYR QE 1 64 GLN HE21 4.000 . 4.750 4.304 2.855 4.495 . 0 0 "[ . 1 . 2]" 1
1167 1 49 TYR QE 1 64 GLN HE22 5.000 . 6.000 5.714 2.856 6.003 0.003 7 0 "[ . 1 . 2]" 1
1168 1 49 TYR QE 1 64 GLN QB 4.000 . 4.750 3.109 1.960 4.217 . 0 0 "[ . 1 . 2]" 1
1169 1 49 TYR QE 1 64 GLN QG 2.500 . 2.800 2.714 2.544 2.825 0.025 2 0 "[ . 1 . 2]" 1
1170 1 49 TYR HB3 1 65 MET ME 4.000 . 4.750 3.980 3.185 4.755 0.005 18 0 "[ . 1 . 2]" 1
1171 1 49 TYR HB2 1 65 MET ME 5.000 . 6.000 3.792 2.930 4.593 . 0 0 "[ . 1 . 2]" 1
1172 1 49 TYR QD 1 65 MET ME 5.000 . 6.000 3.007 2.187 3.768 . 0 0 "[ . 1 . 2]" 1
1173 1 49 TYR QD 1 65 MET QB 4.000 . 4.750 4.245 3.531 4.778 0.028 6 0 "[ . 1 . 2]" 1
1174 1 49 TYR QD 1 65 MET QG 4.000 . 4.750 3.968 2.778 4.790 0.040 16 0 "[ . 1 . 2]" 1
1175 1 49 TYR QE 1 65 MET HA 5.000 . 6.000 2.204 1.915 2.909 . 0 0 "[ . 1 . 2]" 1
1176 1 49 TYR QE 1 65 MET ME 5.000 . 6.000 3.021 2.284 3.672 . 0 0 "[ . 1 . 2]" 1
1177 1 49 TYR QE 1 65 MET QB 5.000 . 6.000 3.315 2.846 3.905 . 0 0 "[ . 1 . 2]" 1
1178 1 49 TYR QE 1 65 MET QG 4.000 . 4.750 2.874 2.192 3.249 . 0 0 "[ . 1 . 2]" 1
1179 1 49 TYR QE 1 68 ASP H 5.000 . 6.000 4.634 4.448 4.918 . 0 0 "[ . 1 . 2]" 1
1180 1 49 TYR QE 1 68 ASP HA 5.000 . 6.000 5.979 5.864 6.022 0.022 17 0 "[ . 1 . 2]" 1
1181 1 49 TYR QE 1 68 ASP QB 5.000 . 6.000 3.178 3.045 3.327 . 0 0 "[ . 1 . 2]" 1
1182 1 49 TYR QE 1 69 LEU H 5.000 . 6.000 5.552 5.111 5.938 . 0 0 "[ . 1 . 2]" 1
1183 1 50 ASP H 1 57 LEU MD1 5.000 . 6.000 3.199 2.960 3.416 . 0 0 "[ . 1 . 2]" 1
1184 1 50 ASP H 1 57 LEU MD2 5.000 . 6.000 4.535 3.696 4.895 . 0 0 "[ . 1 . 2]" 1
1185 1 50 ASP HA 1 57 LEU MD1 5.000 . 6.000 3.074 2.771 3.292 . 0 0 "[ . 1 . 2]" 1
1186 1 50 ASP HA 1 57 LEU MD2 5.000 . 6.000 5.269 4.707 5.608 . 0 0 "[ . 1 . 2]" 1
1187 1 50 ASP HB3 1 57 LEU MD1 5.000 . 6.000 4.236 4.034 4.434 . 0 0 "[ . 1 . 2]" 1
1188 1 50 ASP HB3 1 57 LEU MD2 5.000 . 6.000 5.745 5.248 6.001 0.001 2 0 "[ . 1 . 2]" 1
1189 1 57 LEU HG 1 62 HIS H 5.000 . 6.000 3.942 3.743 4.056 . 0 0 "[ . 1 . 2]" 1
1190 1 57 LEU HG 1 62 HIS HD2 5.000 . 6.000 4.402 3.404 4.774 . 0 0 "[ . 1 . 2]" 1
1191 1 57 LEU MD1 1 62 HIS H 5.000 . 6.000 4.470 4.169 4.794 . 0 0 "[ . 1 . 2]" 1
1192 1 57 LEU MD1 1 62 HIS HA 5.000 . 6.000 4.894 4.537 5.155 . 0 0 "[ . 1 . 2]" 1
1193 1 57 LEU MD2 1 62 HIS H 5.000 . 6.000 5.001 4.824 5.137 . 0 0 "[ . 1 . 2]" 1
1194 1 57 LEU MD2 1 62 HIS HA 5.000 . 6.000 4.314 3.962 4.541 . 0 0 "[ . 1 . 2]" 1
1195 1 57 LEU MD2 1 62 HIS HB3 5.000 . 6.000 5.844 5.529 6.013 0.013 19 0 "[ . 1 . 2]" 1
1196 1 57 LEU MD2 1 62 HIS HB2 5.000 . 6.000 4.438 4.085 4.793 . 0 0 "[ . 1 . 2]" 1
1197 1 57 LEU MD2 1 62 HIS HD2 5.000 . 6.000 3.673 3.005 4.131 . 0 0 "[ . 1 . 2]" 1
1198 1 70 GLU HA 1 75 ASP H 5.000 . 6.000 5.492 3.174 6.030 0.030 14 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 59.462
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0140
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 THR 0.066 0.027 17 0 "[ . 1 . 2]"
1 10 ASP 0.573 0.063 2 0 "[ . 1 . 2]"
1 12 ILE 0.066 0.027 17 0 "[ . 1 . 2]"
1 14 GLU 0.573 0.063 2 0 "[ . 1 . 2]"
1 23 LEU 0.193 0.033 17 0 "[ . 1 . 2]"
1 24 ASN 0.013 0.013 19 0 "[ . 1 . 2]"
1 25 PHE 0.165 0.022 7 0 "[ . 1 . 2]"
1 26 ASP 0.104 0.015 13 0 "[ . 1 . 2]"
1 27 GLU 0.783 0.069 5 0 "[ . 1 . 2]"
1 28 LEU 0.257 0.031 12 0 "[ . 1 . 2]"
1 29 ARG 0.165 0.022 7 0 "[ . 1 . 2]"
1 30 GLN 0.104 0.015 13 0 "[ . 1 . 2]"
1 31 ASP 0.770 0.069 5 0 "[ . 1 . 2]"
1 32 LEU 0.257 0.031 12 0 "[ . 1 . 2]"
1 38 THR 0.093 0.035 12 0 "[ . 1 . 2]"
1 39 ASP 0.094 0.027 2 0 "[ . 1 . 2]"
1 40 ALA 0.141 0.013 11 0 "[ . 1 . 2]"
1 41 GLU 0.139 0.022 7 0 "[ . 1 . 2]"
1 42 ILE 0.113 0.035 12 0 "[ . 1 . 2]"
1 43 GLU 0.121 0.027 2 0 "[ . 1 . 2]"
1 44 ALA 0.308 0.020 5 0 "[ . 1 . 2]"
1 45 ILE 0.144 0.022 7 0 "[ . 1 . 2]"
1 46 PHE 0.020 0.014 17 0 "[ . 1 . 2]"
1 47 THR 0.027 0.006 4 0 "[ . 1 . 2]"
1 48 LYS 0.167 0.020 5 0 "[ . 1 . 2]"
1 49 TYR 0.005 0.005 2 0 "[ . 1 . 2]"
1 57 LEU 0.193 0.033 17 0 "[ . 1 . 2]"
1 59 GLU 0.049 0.010 12 0 "[ . 1 . 2]"
1 63 GLN 0.049 0.010 12 0 "[ . 1 . 2]"
1 65 MET 0.096 0.026 14 0 "[ . 1 . 2]"
1 69 LEU 0.096 0.026 14 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 8 THR O 1 12 ILE H 1.950 . 2.100 2.034 1.815 2.127 0.027 17 0 "[ . 1 . 2]" 2
2 1 8 THR O 1 12 ILE N 2.900 2.700 3.100 2.984 2.784 3.083 . 0 0 "[ . 1 . 2]" 2
3 1 10 ASP O 1 14 GLU H 1.950 . 2.100 2.126 2.081 2.163 0.063 2 0 "[ . 1 . 2]" 2
4 1 10 ASP O 1 14 GLU N 2.900 2.700 3.100 3.067 2.991 3.123 0.023 2 0 "[ . 1 . 2]" 2
5 1 23 LEU H 1 57 LEU O 1.950 . 2.100 2.091 1.967 2.133 0.033 17 0 "[ . 1 . 2]" 2
6 1 23 LEU N 1 57 LEU O 2.900 2.700 3.100 3.051 2.933 3.100 0.000 19 0 "[ . 1 . 2]" 2
7 1 24 ASN OD1 1 27 GLU H 1.950 . 2.100 1.940 1.787 2.043 0.013 19 0 "[ . 1 . 2]" 2
8 1 24 ASN OD1 1 27 GLU N 2.900 2.700 3.100 2.862 2.700 2.965 . 0 0 "[ . 1 . 2]" 2
9 1 24 ASN O 1 28 LEU H 1.950 . 2.100 1.883 1.823 1.938 . 0 0 "[ . 1 . 2]" 2
10 1 24 ASN O 1 28 LEU N 2.900 2.700 3.100 2.854 2.790 2.912 . 0 0 "[ . 1 . 2]" 2
11 1 25 PHE O 1 29 ARG H 1.950 . 2.100 2.084 1.983 2.122 0.022 7 0 "[ . 1 . 2]" 2
12 1 25 PHE O 1 29 ARG N 2.900 2.700 3.100 2.956 2.845 2.996 . 0 0 "[ . 1 . 2]" 2
13 1 26 ASP O 1 30 GLN H 1.950 . 2.100 2.096 2.031 2.115 0.015 13 0 "[ . 1 . 2]" 2
14 1 26 ASP O 1 30 GLN N 2.900 2.700 3.100 3.020 2.977 3.046 . 0 0 "[ . 1 . 2]" 2
15 1 27 GLU O 1 31 ASP H 1.950 . 2.100 2.138 2.121 2.169 0.069 5 0 "[ . 1 . 2]" 2
16 1 27 GLU O 1 31 ASP N 2.900 2.700 3.100 3.069 3.045 3.108 0.008 12 0 "[ . 1 . 2]" 2
17 1 28 LEU O 1 32 LEU H 1.950 . 2.100 1.921 1.881 1.944 . 0 0 "[ . 1 . 2]" 2
18 1 28 LEU O 1 32 LEU N 2.900 2.700 3.100 2.693 2.669 2.720 0.031 12 0 "[ . 1 . 2]" 2
19 1 38 THR O 1 42 ILE H 1.950 . 2.100 2.051 1.988 2.135 0.035 12 0 "[ . 1 . 2]" 2
20 1 38 THR O 1 42 ILE N 2.900 2.700 3.100 2.997 2.939 3.068 . 0 0 "[ . 1 . 2]" 2
21 1 39 ASP O 1 43 GLU H 1.950 . 2.100 1.813 1.773 1.886 0.027 2 0 "[ . 1 . 2]" 2
22 1 39 ASP O 1 43 GLU N 2.900 2.700 3.100 2.728 2.699 2.789 0.001 20 0 "[ . 1 . 2]" 2
23 1 40 ALA O 1 44 ALA H 1.950 . 2.100 2.107 2.104 2.113 0.013 11 0 "[ . 1 . 2]" 2
24 1 40 ALA O 1 44 ALA N 2.900 2.700 3.100 2.983 2.956 3.013 . 0 0 "[ . 1 . 2]" 2
25 1 41 GLU O 1 45 ILE H 1.950 . 2.100 2.107 2.101 2.122 0.022 7 0 "[ . 1 . 2]" 2
26 1 41 GLU O 1 45 ILE N 2.900 2.700 3.100 3.073 3.061 3.086 . 0 0 "[ . 1 . 2]" 2
27 1 42 ILE O 1 46 PHE H 1.950 . 2.100 1.860 1.786 1.943 0.014 17 0 "[ . 1 . 2]" 2
28 1 42 ILE O 1 46 PHE N 2.900 2.700 3.100 2.794 2.731 2.860 . 0 0 "[ . 1 . 2]" 2
29 1 43 GLU O 1 47 THR H 1.950 . 2.100 1.826 1.795 1.872 0.005 12 0 "[ . 1 . 2]" 2
30 1 43 GLU O 1 47 THR N 2.900 2.700 3.100 2.718 2.694 2.746 0.006 4 0 "[ . 1 . 2]" 2
31 1 44 ALA O 1 48 LYS H 1.950 . 2.100 1.801 1.780 1.849 0.020 5 0 "[ . 1 . 2]" 2
32 1 44 ALA O 1 48 LYS N 2.900 2.700 3.100 2.726 2.697 2.787 0.003 12 0 "[ . 1 . 2]" 2
33 1 45 ILE O 1 49 TYR H 1.950 . 2.100 2.061 1.992 2.105 0.005 2 0 "[ . 1 . 2]" 2
34 1 45 ILE O 1 49 TYR N 2.900 2.700 3.100 2.994 2.936 3.051 . 0 0 "[ . 1 . 2]" 2
35 1 59 GLU O 1 63 GLN H 1.950 . 2.100 2.049 1.873 2.109 0.009 17 0 "[ . 1 . 2]" 2
36 1 59 GLU O 1 63 GLN N 2.900 2.700 3.100 2.880 2.690 2.976 0.010 12 0 "[ . 1 . 2]" 2
37 1 65 MET O 1 69 LEU H 1.950 . 2.100 2.056 1.813 2.126 0.026 14 0 "[ . 1 . 2]" 2
38 1 65 MET O 1 69 LEU N 2.900 2.700 3.100 2.934 2.699 3.034 0.001 13 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 6:34:21 PM GMT (wattos1)