NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403999 |
1wuz   |
6405 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wuz
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 719
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 823.350
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 ILE 0.786 0.273 27 0 "[ . 1 . 2 . 3]"
1 6 HIS 0.111 0.070 5 0 "[ . 1 . 2 . 3]"
1 7 TYR 0.135 0.070 5 0 "[ . 1 . 2 . 3]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 GLU 0.226 0.038 13 0 "[ . 1 . 2 . 3]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 HIS 0.272 0.049 24 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 THR 1.911 0.086 13 0 "[ . 1 . 2 . 3]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 VAL 0.596 0.081 26 0 "[ . 1 . 2 . 3]"
1 20 GLY 0.391 0.074 5 0 "[ . 1 . 2 . 3]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ILE 0.601 0.119 18 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ASP 0.474 0.072 29 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 GLY 0.895 0.132 21 0 "[ . 1 . 2 . 3]"
1 28 LEU 0.895 0.132 21 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 LEU 0.038 0.025 18 0 "[ . 1 . 2 . 3]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 LEU 0.457 0.087 17 0 "[ . 1 . 2 . 3]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 LEU 0.269 0.034 13 0 "[ . 1 . 2 . 3]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 ARG 0.706 0.072 28 0 "[ . 1 . 2 . 3]"
1 40 VAL 0.082 0.013 26 0 "[ . 1 . 2 . 3]"
1 41 ALA 0.082 0.013 26 0 "[ . 1 . 2 . 3]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LEU 0.412 0.066 16 0 "[ . 1 . 2 . 3]"
1 49 LEU 0.029 0.024 29 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 VAL 0.175 0.043 30 0 "[ . 1 . 2 . 3]"
1 52 ASN 2.405 0.133 28 0 "[ . 1 . 2 . 3]"
1 53 LEU 2.862 0.133 28 0 "[ . 1 . 2 . 3]"
1 54 GLN 0.169 0.063 18 0 "[ . 1 . 2 . 3]"
1 55 ASN 0.018 0.013 24 0 "[ . 1 . 2 . 3]"
1 56 GLY 0.729 0.083 1 0 "[ . 1 . 2 . 3]"
1 57 ILE 0.983 0.110 21 0 "[ . 1 . 2 . 3]"
1 58 LEU 0.821 0.119 18 0 "[ . 1 . 2 . 3]"
1 59 PHE 0.531 0.081 26 0 "[ . 1 . 2 . 3]"
1 60 VAL 1.647 0.086 13 0 "[ . 1 . 2 . 3]"
1 61 ASN 0.007 0.007 1 0 "[ . 1 . 2 . 3]"
1 62 SER 0.441 0.066 16 0 "[ . 1 . 2 . 3]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 ILE 1.068 0.223 25 0 "[ . 1 . 2 . 3]"
1 65 ASP 4.624 0.282 19 0 "[ . 1 . 2 . 3]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 LEU 5.482 0.282 19 0 "[ . 1 . 2 . 3]"
1 70 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 SER 0.061 0.027 6 0 "[ . 1 . 2 . 3]"
1 78 ILE 5.172 0.189 28 0 "[ . 1 . 2 . 3]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 81 GLU 1.504 0.098 2 0 "[ . 1 . 2 . 3]"
1 82 VAL 2.714 0.109 24 0 "[ . 1 . 2 . 3]"
1 83 ILE 2.714 0.109 24 0 "[ . 1 . 2 . 3]"
1 84 VAL 0.706 0.072 28 0 "[ . 1 . 2 . 3]"
1 85 ASP 1.639 0.097 7 0 "[ . 1 . 2 . 3]"
1 86 ARG 0.166 0.061 25 0 "[ . 1 . 2 . 3]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 88 LEU 0.166 0.061 25 0 "[ . 1 . 2 . 3]"
1 89 GLN 1.370 0.097 7 0 "[ . 1 . 2 . 3]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 PHE 1.504 0.098 2 0 "[ . 1 . 2 . 3]"
1 92 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 93 VAL 0.311 0.273 27 0 "[ . 1 . 2 . 3]"
1 94 GLU 0.041 0.041 5 0 "[ . 1 . 2 . 3]"
1 95 VAL 5.172 0.189 28 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 VAL 0.178 0.028 10 0 "[ . 1 . 2 . 3]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 99 ASP 0.134 0.028 10 0 "[ . 1 . 2 . 3]"
1 101 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 19 VAL MG1 1 49 LEU MD2 4.000 . 6.000 2.296 1.911 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 23 ALA MB 1 56 GLY QA 4.000 . 6.000 2.443 1.860 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 26 LEU MD1 1 82 VAL HB 5.000 . 6.000 4.607 4.219 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 26 LEU MD1 1 82 VAL MG2 4.000 . 6.000 3.674 3.270 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 71 GLY QA 1 101 ASN HA 5.000 . 6.000 5.135 4.722 5.337 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 5 ILE MG 1 91 PHE QB 5.000 . 7.000 4.961 4.021 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 41 ALA MB 1 83 ILE MG 5.000 . 7.000 3.530 2.092 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 9 ILE QG 1 19 VAL MG2 5.000 . 7.000 3.101 2.670 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 22 ILE MG 1 51 VAL H 5.000 . 6.000 4.676 4.563 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 34 VAL H 1 34 VAL MG2 4.000 . 5.000 2.690 2.609 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 17 THR H 1 60 VAL MG1 5.000 . 6.000 4.016 3.625 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 17 THR H 1 60 VAL MG2 5.000 . 6.000 2.783 2.504 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 14 LYS QB 1 17 THR H 5.000 . 6.000 4.808 4.186 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 84 VAL MG1 1 85 ASP H 5.000 . 6.000 3.762 3.658 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 38 PHE H 1 84 VAL MG1 5.000 . 6.000 4.541 4.345 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 9 ILE MG 1 97 VAL HA 5.000 . 6.000 2.921 2.562 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 86 ARG H 1 87 PRO HA 4.000 . 4.000 3.343 3.239 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 97 VAL HB 1 99 ASP H 5.000 . 5.000 4.865 4.089 5.028 0.028 10 0 "[ . 1 . 2 . 3]" 1
19 1 66 ARG H 1 69 LEU H 5.000 . 5.000 4.858 4.706 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 85 ASP HA 1 89 GLN H 4.000 . 4.000 4.005 3.583 4.097 0.097 7 0 "[ . 1 . 2 . 3]" 1
21 1 85 ASP HA 1 88 LEU HA 4.000 . 4.000 2.630 1.992 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 85 ASP HA 1 88 LEU QB 5.000 . 6.000 4.130 3.276 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 86 ARG H 1 88 LEU H 4.000 . 4.000 3.319 3.087 4.061 0.061 25 0 "[ . 1 . 2 . 3]" 1
24 1 86 ARG H 1 88 LEU HA 5.000 . 5.000 2.635 2.550 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 86 ARG HA 1 88 LEU H 5.000 . 5.000 3.253 3.079 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 84 VAL H 1 89 GLN H 4.000 . 4.000 3.254 3.008 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 85 ASP HA 1 88 LEU H 5.000 . 5.000 4.794 4.255 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 81 GLU QB 1 83 ILE H 5.000 . 6.000 4.518 4.453 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 22 ILE MD 1 38 PHE HZ 5.000 . 6.000 2.649 2.017 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 83 ILE HB 1 83 ILE MD 3.000 . 4.000 2.615 2.006 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 5 ILE HB 1 93 VAL MG2 4.000 . 5.000 3.003 2.656 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 ILE MG 1 93 VAL MG2 4.000 . 6.000 3.462 1.891 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 TYR QD 1 95 VAL MG2 4.000 . 7.400 4.268 4.209 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 9 ILE MG 1 19 VAL MG1 4.000 . 6.000 2.331 2.022 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 18 PHE QD 1 57 ILE MD 4.000 . 7.400 2.384 1.981 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 18 PHE QD 1 57 ILE MG 4.000 . 7.400 3.990 1.878 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 22 ILE MG 1 23 ALA MB 4.000 . 6.000 2.819 2.709 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 23 ALA MB 1 33 LEU MD2 4.000 . 6.000 2.754 2.082 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 26 LEU HA 1 26 LEU MD2 4.000 . 5.000 3.787 3.775 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 22 ILE MD 1 26 LEU MD1 4.000 . 6.000 3.158 2.674 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 30 LEU HA 1 30 LEU MD2 4.000 . 5.000 2.213 2.021 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 30 LEU HA 1 32 GLU QB 5.000 . 6.000 4.976 4.759 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 33 LEU HA 1 33 LEU MD2 4.000 . 5.000 2.764 2.175 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 23 ALA MB 1 33 LEU MD1 4.000 . 6.000 2.823 2.205 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 34 VAL MG1 1 35 PRO QD 4.000 . 6.000 2.013 1.993 2.078 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 40 VAL HA 1 82 VAL HA 4.000 . 4.000 2.346 2.147 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 40 VAL MG1 1 41 ALA MB 4.000 . 6.000 3.991 3.898 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 51 VAL MG1 1 53 LEU HG 4.000 . 5.000 4.015 3.952 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 57 ILE HA 1 57 ILE MD 4.000 . 5.000 1.970 1.930 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 51 VAL HA 1 58 LEU HA 4.000 . 4.000 2.371 1.962 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 19 VAL MG2 1 59 PHE HA 4.000 . 5.000 2.908 2.424 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 17 THR HB 1 60 VAL HB 4.000 . 4.000 3.029 2.546 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 13 ALA MB 1 60 VAL MG2 4.000 . 6.000 1.891 1.857 1.983 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 64 ILE HA 1 64 ILE MD 4.000 . 5.000 2.127 1.973 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 69 LEU HA 1 69 LEU MD2 4.000 . 5.000 2.428 1.939 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 41 ALA MB 1 81 GLU QB 4.000 . 6.000 3.558 2.928 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 83 ILE HA 1 90 VAL MG1 4.000 . 5.000 2.904 1.873 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 38 PHE HA 1 84 VAL MG1 4.000 . 5.000 2.207 1.976 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 86 ARG HA 1 87 PRO HA 5.000 . 5.000 1.931 1.913 1.949 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 84 VAL MG2 1 89 GLN QB 4.000 . 6.000 3.368 2.871 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 84 VAL MG2 1 91 PHE QE 4.000 . 7.400 2.637 1.994 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 93 VAL HA 1 95 VAL MG1 5.000 . 6.000 4.920 4.853 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 10 PRO HA 1 98 ARG QB 5.000 . 6.000 2.252 1.966 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 4 GLN HA 1 5 ILE HA 5.000 . 5.000 4.382 4.374 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 4 GLN QG 1 5 ILE MD 5.000 . 7.000 4.404 3.265 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 ILE HA 1 5 ILE MD 4.000 . 5.000 2.344 1.935 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 ILE HB 1 93 VAL HA 4.000 . 4.000 3.149 2.550 4.273 0.273 27 0 "[ . 1 . 2 . 3]" 1
68 1 5 ILE MD 1 25 ASP HA 5.000 . 6.000 4.073 3.624 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 ILE MD 1 25 ASP QB 4.000 . 6.000 2.643 1.941 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 ILE QG 1 93 VAL MG2 4.000 . 6.000 4.033 3.472 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 ILE MG 1 6 HIS HA 5.000 . 6.000 3.548 3.243 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 ILE MG 1 25 ASP QB 5.000 . 7.000 1.960 1.728 3.763 0.072 29 0 "[ . 1 . 2 . 3]" 1
73 1 5 ILE MG 1 93 VAL HA 5.000 . 6.000 3.845 1.856 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 7 TYR HA 1 19 VAL MG1 5.000 . 6.000 4.149 3.900 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 7 TYR QB 1 8 SER HA 5.000 . 6.000 4.095 4.046 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 7 TYR QB 1 19 VAL MG1 4.000 . 6.000 1.912 1.781 2.077 0.019 24 0 "[ . 1 . 2 . 3]" 1
77 1 7 TYR QB 1 95 VAL HA 5.000 . 6.000 3.195 2.263 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 7 TYR QB 1 95 VAL MG1 4.000 . 6.000 1.871 1.802 1.897 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 7 TYR QB 1 95 VAL MG2 4.000 . 6.000 4.248 4.011 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 ILE MG 1 7 TYR QD 5.000 . 8.400 3.183 3.040 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 TYR QD 1 19 VAL MG1 4.000 . 7.400 2.365 2.045 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 TYR QD 1 22 ILE MD 5.000 . 8.400 5.017 4.372 6.136 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 TYR QD 1 58 LEU MD2 4.000 . 7.400 4.392 3.272 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 TYR QD 1 93 VAL MG2 4.000 . 7.400 4.502 4.108 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 TYR QD 1 95 VAL HA 5.000 . 7.400 4.423 3.913 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 TYR QD 1 95 VAL MG1 4.000 . 7.400 2.031 1.950 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 ILE MD 1 7 TYR QE 5.000 . 8.400 4.476 2.937 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 ILE MG 1 7 TYR QE 4.000 . 7.400 1.987 1.877 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 TYR QE 1 19 VAL MG1 5.000 . 8.400 4.252 3.941 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 7 TYR QE 1 20 GLY QA 5.000 . 8.400 4.166 3.329 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 TYR QE 1 22 ILE HA 5.000 . 7.400 2.777 2.165 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 TYR QE 1 22 ILE HB 5.000 . 7.400 3.117 2.890 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 TYR QE 1 22 ILE MD 5.000 . 8.400 3.155 2.409 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 TYR QE 1 22 ILE MG 5.000 . 8.400 4.357 4.123 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 TYR QE 1 58 LEU MD2 5.000 . 8.400 3.296 2.624 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 TYR QE 1 93 VAL MG2 5.000 . 8.400 2.914 2.370 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 TYR QE 1 95 VAL MG1 4.000 . 7.400 3.581 3.477 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 TYR QE 1 95 VAL MG2 5.000 . 8.400 5.514 5.386 6.206 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 SER HA 1 95 VAL MG1 5.000 . 6.000 4.825 4.580 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 SER HA 1 96 GLU QB 4.000 . 5.000 3.961 3.596 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 9 ILE HB 1 13 ALA MB 4.000 . 5.000 4.285 4.214 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 9 ILE QG 1 19 VAL HA 5.000 . 6.000 3.870 3.634 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 9 ILE MG 1 10 PRO HA 5.000 . 6.000 4.714 4.661 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 9 ILE MG 1 19 VAL HA 4.000 . 5.000 3.909 3.575 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 9 ILE MG 1 19 VAL HB 5.000 . 6.000 4.820 4.512 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 9 ILE MG 1 95 VAL HA 5.000 . 6.000 3.950 3.369 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 9 ILE HB 1 10 PRO QD 4.000 . 5.000 3.544 3.382 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 11 GLU HA 1 65 ASP HA 5.000 . 5.000 4.591 2.991 5.038 0.038 13 0 "[ . 1 . 2 . 3]" 1
109 1 12 GLU QB 1 65 ASP HA 5.000 . 6.000 3.444 2.356 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 GLU QB 1 13 ALA HA 5.000 . 6.000 4.272 4.172 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 GLU QB 1 13 ALA MB 5.000 . 7.000 4.707 4.577 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 ILE HA 1 13 ALA MB 5.000 . 6.000 4.405 4.131 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 ILE MG 1 13 ALA MB 4.000 . 6.000 3.915 3.731 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 13 ALA MB 1 17 THR HA 5.000 . 6.000 4.543 4.348 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 13 ALA MB 1 17 THR HB 4.000 . 5.000 2.100 1.960 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 13 ALA MB 1 60 VAL HB 4.000 . 5.000 3.595 2.938 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 13 ALA MB 1 60 VAL MG1 4.000 . 6.000 2.810 2.241 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 15 HIS HD2 1 62 SER HA 5.000 . 5.000 4.241 2.989 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 18 PHE HA 1 57 ILE MG 5.000 . 6.000 4.367 2.780 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 18 PHE HA 1 59 PHE HA 5.000 . 5.000 3.261 2.350 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 18 PHE QE 1 20 GLY QA 5.000 . 8.400 2.388 1.980 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 19 VAL HB 1 59 PHE HA 5.000 . 5.000 4.491 3.819 5.057 0.057 26 0 "[ . 1 . 2 . 3]" 1
123 1 9 ILE HB 1 19 VAL MG1 5.000 . 6.000 2.218 1.932 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 19 VAL MG1 1 20 GLY QA 5.000 . 7.000 3.512 3.331 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 21 ARG QD 1 57 ILE MD 5.000 . 7.000 3.508 1.916 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 21 ARG QG 1 57 ILE MD 5.000 . 7.000 2.649 1.826 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 22 ILE HA 1 22 ILE MD 4.000 . 5.000 3.639 3.348 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 22 ILE MD 1 26 LEU MD2 5.000 . 7.000 3.011 1.834 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 22 ILE QG 1 51 VAL MG1 4.000 . 6.000 4.280 4.183 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 22 ILE MG 1 23 ALA HA 5.000 . 6.000 3.423 3.287 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 23 ALA HA 1 24 GLN HA 5.000 . 5.000 4.820 4.788 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 23 ALA HA 1 26 LEU MD1 5.000 . 6.000 3.793 3.692 3.854 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 23 ALA HA 1 28 LEU QB 5.000 . 6.000 4.552 4.191 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 23 ALA HA 1 28 LEU MD1 4.000 . 5.000 2.966 1.859 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 23 ALA MB 1 26 LEU MD1 5.000 . 7.000 4.835 4.756 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 23 ALA MB 1 26 LEU MD2 4.000 . 6.000 3.895 3.476 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 23 ALA MB 1 30 LEU MD2 4.000 . 6.000 2.290 1.850 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 25 ASP HA 1 26 LEU MD1 5.000 . 6.000 4.661 4.368 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 22 ILE HA 1 25 ASP QB 4.000 . 5.000 3.086 2.841 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 22 ILE HA 1 26 LEU QB 5.000 . 6.000 4.731 4.641 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 22 ILE HA 1 26 LEU MD1 5.000 . 6.000 3.369 3.228 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 22 ILE MG 1 26 LEU MD1 5.000 . 7.000 4.214 4.067 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 26 LEU MD1 1 28 LEU MD1 4.000 . 6.000 3.929 3.469 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 26 LEU MD1 1 28 LEU MD2 5.000 . 7.000 4.358 4.095 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 23 ALA MB 1 28 LEU QB 4.000 . 6.000 3.954 3.503 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 26 LEU QB 1 28 LEU QB 5.000 . 7.000 3.774 3.117 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 28 LEU QB 1 33 LEU MD2 4.000 . 6.000 3.478 2.995 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 28 LEU MD1 1 33 LEU MD2 4.000 . 6.000 2.627 2.133 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 30 LEU QB 1 31 THR HA 5.000 . 6.000 3.931 3.821 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 30 LEU MD1 1 33 LEU MD2 5.000 . 7.000 4.368 3.763 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 33 LEU HA 1 34 VAL HA 5.000 . 5.000 4.865 4.851 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 33 LEU HA 1 38 PHE QB 4.000 . 5.000 3.113 2.642 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 30 LEU MD2 1 33 LEU QB 5.000 . 7.000 4.635 3.797 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 33 LEU QB 1 38 PHE QB 5.000 . 7.000 2.288 2.142 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 33 LEU QB 1 53 LEU MD1 5.000 . 7.000 3.560 2.851 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 33 LEU MD1 1 53 LEU HA 5.000 . 6.000 3.116 2.246 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 22 ILE MD 1 33 LEU MD2 5.000 . 7.000 4.711 3.506 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 28 LEU MD2 1 33 LEU MD2 5.000 . 7.000 4.222 2.337 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 30 LEU HA 1 33 LEU MD2 5.000 . 6.000 3.701 2.445 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 30 LEU MD2 1 33 LEU MD2 4.000 . 6.000 3.655 2.611 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 33 LEU MD2 1 38 PHE QB 4.000 . 6.000 2.833 1.953 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 33 LEU MD2 1 53 LEU MD1 5.000 . 7.000 4.648 4.411 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 33 LEU MD2 1 53 LEU MD2 5.000 . 7.000 3.247 2.515 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 34 VAL HA 1 53 LEU MD1 5.000 . 6.000 3.774 2.349 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 34 VAL HA 1 53 LEU MD2 5.000 . 6.000 3.277 2.384 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 33 LEU QB 1 34 VAL MG1 5.000 . 7.000 5.198 5.176 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 34 VAL MG1 1 35 PRO HA 5.000 . 6.000 2.943 2.942 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 34 VAL HA 1 35 PRO HA 5.000 . 5.000 4.833 4.832 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 34 VAL HA 1 35 PRO QD 5.000 . 6.000 3.466 3.464 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 34 VAL MG2 1 35 PRO QD 4.000 . 6.000 3.349 3.342 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 36 ARG HA 1 86 ARG QB 4.000 . 5.000 3.018 1.899 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 36 ARG QB 1 84 VAL HB 4.000 . 5.000 3.449 3.019 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 36 ARG QB 1 84 VAL MG2 5.000 . 7.000 4.576 4.120 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 36 ARG QB 1 84 VAL MG1 4.000 . 6.000 3.698 3.253 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 37 LEU HA 1 37 LEU MD1 4.000 . 5.000 2.318 1.993 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 37 LEU MD1 1 85 ASP QB 5.000 . 7.000 3.333 2.063 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 38 PHE HA 1 84 VAL HA 4.000 . 4.000 2.782 2.664 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 33 LEU MD1 1 38 PHE QB 5.000 . 7.000 4.138 3.692 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 38 PHE QB 1 53 LEU MD1 5.000 . 7.000 3.842 3.079 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 38 PHE QB 1 53 LEU MD2 4.000 . 6.000 3.210 2.522 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 38 PHE QB 1 84 VAL HA 5.000 . 6.000 4.897 4.708 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 28 LEU MD1 1 38 PHE QD 5.000 . 8.400 3.910 2.646 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 33 LEU MD1 1 38 PHE QD 5.000 . 8.400 4.323 3.803 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 33 LEU MD2 1 38 PHE QD 4.000 . 7.400 2.624 2.275 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 38 PHE QD 1 39 ARG HA 5.000 . 7.400 4.164 3.426 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 38 PHE QD 1 40 VAL MG2 5.000 . 8.400 3.347 3.138 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 38 PHE QD 1 53 LEU MD1 5.000 . 8.400 4.835 4.180 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 38 PHE QD 1 53 LEU MD2 4.000 . 7.400 4.350 3.395 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 38 PHE QD 1 82 VAL MG1 5.000 . 8.400 3.424 3.242 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 28 LEU MD1 1 38 PHE QE 4.000 . 7.400 2.707 1.928 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 33 LEU MD2 1 38 PHE QE 5.000 . 8.400 2.898 2.530 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 38 PHE QE 1 40 VAL MG1 5.000 . 8.400 5.236 4.817 5.680 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 38 PHE QE 1 51 VAL HB 5.000 . 7.400 3.463 3.067 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 38 PHE QE 1 53 LEU MD2 5.000 . 8.400 5.576 4.521 6.272 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 38 PHE QE 1 84 VAL MG1 5.000 . 8.400 2.335 2.087 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 22 ILE MG 1 38 PHE HZ 5.000 . 6.000 3.907 3.421 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 38 PHE HA 1 39 ARG QB 5.000 . 6.000 3.964 3.871 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 40 VAL HA 1 82 VAL MG1 5.000 . 6.000 2.625 2.222 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 40 VAL MG1 1 41 ALA HA 5.000 . 6.000 3.366 3.102 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 40 VAL HA 1 41 ALA MB 5.000 . 6.000 3.874 3.786 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 42 SER HA 1 80 LEU MD2 5.000 . 6.000 4.669 3.664 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 42 SER QB 1 80 LEU MD2 4.000 . 6.000 4.416 4.163 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 48 LEU HA 1 48 LEU MD1 4.000 . 5.000 3.705 3.007 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 40 VAL MG1 1 48 LEU QB 5.000 . 7.000 4.757 4.150 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 40 VAL MG1 1 48 LEU MD1 5.000 . 7.000 4.632 3.837 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 48 LEU MD2 1 62 SER QB 5.000 . 7.000 3.798 2.978 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 49 LEU HA 1 58 LEU MD1 5.000 . 6.000 4.128 3.768 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 40 VAL MG1 1 49 LEU QB 5.000 . 7.000 3.860 3.438 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 49 LEU QB 1 58 LEU MD1 4.000 . 6.000 2.075 1.852 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 50 GLU HA 1 58 LEU MD1 5.000 . 6.000 3.892 3.053 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 50 GLU QB 1 61 ASN QB 5.000 . 7.000 2.680 2.022 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 51 VAL HA 1 58 LEU MD1 5.000 . 6.000 3.372 2.375 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 51 VAL HB 1 58 LEU HA 4.000 . 4.000 3.868 3.409 4.043 0.043 30 0 "[ . 1 . 2 . 3]" 1
214 1 51 VAL HB 1 58 LEU MD1 5.000 . 6.000 3.852 2.291 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 52 ASN QB 1 57 ILE HB 5.000 . 6.000 4.725 3.526 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 33 LEU MD1 1 53 LEU QB 5.000 . 7.000 3.729 2.356 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 34 VAL MG2 1 53 LEU QB 4.000 . 6.000 3.529 2.837 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 33 LEU HA 1 53 LEU MD2 5.000 . 6.000 4.121 3.830 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 33 LEU QB 1 53 LEU MD2 5.000 . 7.000 1.848 1.713 2.096 0.087 17 0 "[ . 1 . 2 . 3]" 1
220 1 33 LEU MD1 1 53 LEU MD2 4.000 . 6.000 2.538 1.775 4.011 0.025 18 0 "[ . 1 . 2 . 3]" 1
221 1 30 LEU MD1 1 55 ASN HA 4.000 . 5.000 2.791 1.909 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 30 LEU MD2 1 55 ASN HA 5.000 . 6.000 3.862 3.151 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 55 ASN QB 1 57 ILE MD 5.000 . 7.000 4.547 3.304 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 30 LEU MD1 1 55 ASN QB 5.000 . 7.000 4.129 3.627 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 51 VAL MG2 1 56 GLY QA 5.000 . 7.000 2.754 2.456 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 30 LEU MD2 1 56 GLY QA 4.000 . 6.000 1.872 1.775 1.924 0.025 18 0 "[ . 1 . 2 . 3]" 1
227 1 22 ILE MG 1 58 LEU HA 5.000 . 6.000 3.541 2.934 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 51 VAL MG2 1 58 LEU HA 4.000 . 5.000 3.415 3.175 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 19 VAL HB 1 58 LEU QB 5.000 . 6.000 2.235 1.879 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 22 ILE HA 1 58 LEU MD2 5.000 . 6.000 4.002 3.359 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 56 GLY QA 1 58 LEU MD2 5.000 . 7.000 5.039 4.600 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 57 ILE MG 1 59 PHE HA 5.000 . 6.000 4.443 3.597 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 59 PHE QB 1 60 VAL MG2 5.000 . 7.000 4.279 3.838 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 18 PHE HA 1 59 PHE QB 5.000 . 6.000 4.247 3.438 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 19 VAL MG2 1 59 PHE QB 5.000 . 7.000 4.334 3.856 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 57 ILE MG 1 59 PHE QB 4.000 . 6.000 3.444 3.027 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 GLY QA 1 59 PHE QD 5.000 . 8.400 2.951 1.981 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 51 VAL MG2 1 59 PHE QE 5.000 . 8.400 4.651 4.295 5.886 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 52 ASN HA 1 59 PHE QE 5.000 . 7.400 2.891 2.377 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 52 ASN QB 1 59 PHE QE 5.000 . 8.400 2.289 1.984 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 59 PHE QE 1 61 ASN HA 5.000 . 7.400 4.386 3.661 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 50 GLU QB 1 59 PHE HZ 5.000 . 6.000 2.431 2.048 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 13 ALA MB 1 60 VAL HA 5.000 . 6.000 4.929 4.860 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 THR HB 1 60 VAL HA 5.000 . 5.000 5.015 4.896 5.082 0.082 4 0 "[ . 1 . 2 . 3]" 1
245 1 49 LEU HA 1 60 VAL HA 4.000 . 4.000 3.296 3.063 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 15 HIS HA 1 60 VAL HB 5.000 . 5.000 2.620 1.974 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 THR HA 1 60 VAL HB 5.000 . 5.000 5.005 4.719 5.086 0.086 13 0 "[ . 1 . 2 . 3]" 1
248 1 49 LEU MD2 1 60 VAL HB 5.000 . 6.000 4.551 3.977 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 15 HIS HA 1 60 VAL MG1 5.000 . 6.000 2.835 1.973 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 THR HB 1 60 VAL MG1 5.000 . 6.000 3.844 3.661 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 13 ALA HA 1 60 VAL MG2 5.000 . 6.000 4.111 3.859 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 THR HA 1 60 VAL MG2 4.000 . 5.000 4.016 3.945 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 17 THR HB 1 60 VAL MG2 4.000 . 5.000 1.884 1.855 1.965 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 49 LEU HA 1 61 ASN QB 5.000 . 6.000 2.154 1.942 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 48 LEU HA 1 62 SER QB 4.000 . 5.000 1.952 1.913 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 63 ARG QB 1 64 ILE HA 5.000 . 6.000 4.337 4.205 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 65 ASP QB 1 68 GLU QB 5.000 . 7.000 3.372 1.865 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 64 ILE HA 1 69 LEU HG 4.000 . 4.000 3.497 1.992 4.223 0.223 25 0 "[ . 1 . 2 . 3]" 1
259 1 70 CYS QB 1 76 CYS HA 5.000 . 6.000 5.051 4.653 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 70 CYS QB 1 76 CYS QB 5.000 . 7.000 3.695 2.421 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 72 ARG HA 1 72 ARG QD 4.000 . 5.000 3.335 2.027 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 74 ALA HA 1 75 GLU HA 5.000 . 5.000 4.548 4.510 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 74 ALA MB 1 75 GLU HA 5.000 . 6.000 4.103 3.868 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 74 ALA MB 1 75 GLU QB 4.000 . 6.000 3.505 3.089 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 75 GLU HA 1 76 CYS HA 5.000 . 5.000 4.416 4.387 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 76 CYS QB 1 97 VAL HB 5.000 . 6.000 4.260 3.940 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 77 SER HA 1 97 VAL MG2 5.000 . 6.000 4.258 3.954 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 77 SER QB 1 96 GLU HA 5.000 . 6.000 4.336 3.944 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 78 ILE HB 1 95 VAL HB 4.000 . 4.000 4.172 4.126 4.189 0.189 28 0 "[ . 1 . 2 . 3]" 1
270 1 77 SER HA 1 78 ILE MD 4.000 . 5.000 2.924 2.575 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 78 ILE MG 1 95 VAL HB 5.000 . 6.000 4.930 4.903 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 79 HIS HA 1 94 GLU HA 4.000 . 4.000 2.700 2.584 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 79 HIS HA 1 79 HIS HD2 5.000 . 5.000 3.038 2.614 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 42 SER HA 1 80 LEU HA 4.000 . 4.000 3.101 2.214 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 42 SER QB 1 80 LEU HA 5.000 . 6.000 3.032 2.421 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 80 LEU QB 1 93 VAL HB 4.000 . 5.000 2.000 1.970 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 80 LEU MD1 1 93 VAL HB 4.000 . 5.000 3.786 3.674 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 81 GLU HA 1 92 HIS HA 4.000 . 4.000 3.552 2.902 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 40 VAL MG1 1 82 VAL HA 4.000 . 5.000 3.349 3.067 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 82 VAL HB 1 91 PHE QB 4.000 . 5.000 1.991 1.959 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 40 VAL MG1 1 82 VAL MG1 4.000 . 6.000 3.444 3.159 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 82 VAL MG1 1 84 VAL MG1 4.000 . 6.000 2.557 2.199 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 82 VAL MG1 1 84 VAL MG2 5.000 . 7.000 4.150 3.853 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 82 VAL MG2 1 91 PHE QB 5.000 . 7.000 2.537 2.020 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 82 VAL MG2 1 92 HIS HA 5.000 . 6.000 4.750 4.528 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 82 VAL HB 1 83 ILE HA 5.000 . 5.000 4.879 4.823 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 82 VAL MG1 1 83 ILE HA 5.000 . 6.000 4.361 4.188 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 83 ILE HA 1 90 VAL MG2 4.000 . 5.000 3.012 2.547 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 82 VAL HA 1 83 ILE HB 5.000 . 5.000 4.784 4.691 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 39 ARG HA 1 83 ILE MD 5.000 . 6.000 4.756 4.521 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 83 ILE MG 1 84 VAL HA 5.000 . 6.000 3.909 3.574 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 84 VAL MG2 1 87 PRO QB 5.000 . 7.000 4.105 3.882 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 85 ASP HA 1 88 LEU MD1 4.000 . 5.000 3.109 1.876 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 85 ASP HA 1 88 LEU MD2 4.000 . 5.000 3.571 1.971 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 37 LEU QB 1 85 ASP QB 5.000 . 7.000 1.794 1.766 1.823 0.034 13 0 "[ . 1 . 2 . 3]" 1
296 1 38 PHE HA 1 85 ASP QB 5.000 . 6.000 5.357 5.263 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 85 ASP QB 1 86 ARG QB 5.000 . 7.000 3.344 3.204 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 86 ARG QB 1 87 PRO HA 5.000 . 6.000 4.032 3.739 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 36 ARG QB 1 86 ARG QB 4.000 . 6.000 4.511 2.818 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 87 PRO HA 1 88 LEU HA 5.000 . 5.000 4.356 4.335 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 84 VAL MG2 1 89 GLN HA 5.000 . 6.000 4.188 4.000 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 87 PRO QB 1 89 GLN QB 5.000 . 7.000 3.647 3.295 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 87 PRO QB 1 89 GLN QG 4.000 . 6.000 3.749 2.389 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 83 ILE HA 1 90 VAL HA 4.000 . 4.000 2.759 2.208 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 26 LEU MD1 1 91 PHE QB 5.000 . 7.000 2.697 2.384 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 26 LEU MD2 1 91 PHE QB 4.000 . 6.000 3.092 2.895 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 82 VAL MG1 1 91 PHE QB 5.000 . 7.000 3.434 3.181 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 91 PHE QB 1 93 VAL MG2 5.000 . 7.000 2.916 2.703 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 3 SER HA 1 91 PHE QD 5.000 . 7.400 3.187 2.533 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 26 LEU MD1 1 91 PHE QD 5.000 . 8.400 3.415 2.710 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 26 LEU MD2 1 91 PHE QD 4.000 . 7.400 2.399 2.138 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 28 LEU MD2 1 91 PHE QD 5.000 . 8.400 4.771 3.866 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 82 VAL HB 1 91 PHE QD 5.000 . 7.400 2.286 1.998 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 82 VAL MG1 1 91 PHE QD 4.000 . 7.400 2.725 2.387 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 82 VAL MG2 1 91 PHE QD 5.000 . 8.400 3.444 2.953 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 84 VAL MG1 1 91 PHE QD 5.000 . 8.400 2.712 2.318 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 89 GLN QB 1 91 PHE QD 5.000 . 8.400 4.879 4.394 5.624 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 91 PHE HA 1 91 PHE QD 4.000 . 6.000 2.250 2.035 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 28 LEU MD1 1 91 PHE QE 5.000 . 8.400 3.418 2.239 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 28 LEU MD2 1 91 PHE QE 5.000 . 8.400 3.487 2.739 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 3 SER HA 1 92 HIS QB 5.000 . 6.000 4.207 3.786 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 92 HIS HA 1 92 HIS HD2 5.000 . 5.000 3.266 2.256 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 6 HIS HA 1 94 GLU QB 5.000 . 6.000 3.108 2.653 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 77 SER QB 1 94 GLU QB 5.000 . 7.000 4.666 4.029 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 79 HIS HA 1 94 GLU QB 5.000 . 6.000 4.041 3.387 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 78 ILE MD 1 95 VAL HB 5.000 . 6.000 3.655 3.616 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 80 LEU QB 1 95 VAL MG1 4.000 . 6.000 4.015 3.707 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 78 ILE HA 1 95 VAL MG2 5.000 . 6.000 4.285 4.259 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 8 SER QB 1 96 GLU QB 5.000 . 7.000 4.869 4.275 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 96 GLU HA 1 97 VAL MG2 5.000 . 6.000 3.689 3.523 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 10 PRO HA 1 98 ARG HA 5.000 . 5.000 4.223 3.809 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 10 PRO QB 1 98 ARG QB 5.000 . 7.000 2.774 2.026 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 7 TYR HA 1 7 TYR QD 4.000 . 6.000 2.264 2.056 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 8 SER QB 1 9 ILE HA 4.000 . 5.000 4.113 3.940 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 22 ILE MG 1 58 LEU MD1 4.000 . 6.000 3.938 3.514 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 22 ILE MG 1 58 LEU MD2 4.000 . 6.000 1.856 1.788 2.368 0.012 17 0 "[ . 1 . 2 . 3]" 1
337 1 28 LEU HA 1 28 LEU MD2 4.000 . 5.000 3.014 2.253 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 30 LEU QB 1 30 LEU MD1 3.000 . 5.000 2.161 1.982 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 30 LEU MD2 1 33 LEU MD1 4.000 . 6.000 2.359 1.820 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 34 VAL HB 1 35 PRO QD 4.000 . 5.000 1.853 1.846 1.871 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.000 2.716 2.083 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 38 PHE QB 1 84 VAL MG1 4.000 . 6.000 3.685 3.405 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 38 PHE QD 1 84 VAL MG1 4.000 . 7.400 2.273 2.069 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 49 LEU HA 1 49 LEU MD2 4.000 . 5.000 3.526 3.284 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 53 LEU HA 1 53 LEU MD2 4.000 . 5.000 2.797 1.950 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 53 LEU QB 1 53 LEU MD1 3.000 . 5.000 2.017 1.930 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 58 LEU HA 1 58 LEU MD1 4.000 . 5.000 2.665 2.147 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 49 LEU MD2 1 60 VAL HA 4.000 . 5.000 2.294 1.960 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 77 SER HA 1 96 GLU HA 4.000 . 4.000 2.681 2.515 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 80 LEU HA 1 80 LEU MD2 4.000 . 5.000 3.451 3.426 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 88 LEU HA 1 88 LEU MD1 4.000 . 5.000 2.880 1.960 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 6 HIS HA 1 94 GLU HA 5.000 . 5.000 4.431 4.301 5.041 0.041 5 0 "[ . 1 . 2 . 3]" 1
353 1 17 THR HA 1 18 PHE H 3.000 . 3.000 2.217 2.151 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 55 ASN H 1 56 GLY H 3.000 . 3.000 1.939 1.858 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 86 ARG H 1 86 ARG HA 3.000 . 3.000 2.325 2.276 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 88 LEU HA 1 89 GLN H 3.000 . 3.000 2.160 2.145 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 95 VAL HA 1 96 GLU H 3.000 . 3.000 2.160 2.142 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 8 SER HA 1 96 GLU H 4.000 . 4.000 3.166 2.950 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 17 THR MG 1 18 PHE H 4.000 . 5.000 2.186 2.003 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 26 LEU H 1 27 GLY H 4.000 . 4.000 2.421 2.214 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 27 GLY H 1 28 LEU H 4.000 . 4.000 2.363 2.155 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 34 VAL HB 1 36 ARG H 5.000 . 5.000 4.623 4.614 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 35 PRO QB 1 36 ARG H 4.000 . 5.000 3.473 3.468 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 35 PRO QD 1 36 ARG H 4.000 . 5.000 2.686 2.683 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 36 ARG H 1 37 LEU H 4.000 . 4.000 2.506 2.354 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 56 GLY H 1 57 ILE H 4.000 . 4.000 2.569 2.101 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 60 VAL MG1 1 62 SER H 5.000 . 6.000 2.092 1.861 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 61 ASN H 1 62 SER H 5.000 . 5.000 2.450 1.895 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 63 ARG HA 1 64 ILE H 4.000 . 4.000 2.153 2.139 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 69 LEU H 1 70 CYS H 4.000 . 4.000 3.219 3.146 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 69 LEU HA 1 70 CYS H 4.000 . 4.000 3.561 3.553 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 69 LEU QB 1 70 CYS H 4.000 . 5.000 1.905 1.808 2.040 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 70 CYS H 1 71 GLY H 4.000 . 4.000 2.198 2.012 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 85 ASP HA 1 86 ARG H 4.000 . 4.000 2.218 2.139 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 85 ASP QB 1 86 ARG H 4.000 . 5.000 3.702 3.670 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 88 LEU QB 1 89 GLN H 4.000 . 5.000 3.705 3.486 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 89 GLN H 1 89 GLN QG 4.000 . 5.000 3.613 2.641 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 95 VAL MG1 1 96 GLU H 4.000 . 5.000 3.903 3.847 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 97 VAL HA 1 98 ARG H 4.000 . 4.000 2.179 2.141 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 5 ILE H 1 94 GLU H 5.000 . 5.000 4.374 2.963 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 5 ILE MD 1 6 HIS H 5.000 . 6.000 3.831 2.111 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 5 ILE MG 1 6 HIS H 4.000 . 5.000 2.318 2.156 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 6 HIS H 1 7 TYR H 5.000 . 5.000 4.398 4.276 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 6 HIS HA 1 94 GLU H 4.000 . 4.000 2.174 1.975 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 6 HIS H 1 6 HIS QB 3.000 . 4.000 3.115 2.500 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 7 TYR H 1 94 GLU H 5.000 . 5.000 3.734 3.535 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 7 TYR H 1 96 GLU H 5.000 . 5.000 3.975 3.598 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 6 HIS H 1 7 TYR HA 5.000 . 5.000 4.774 4.719 5.070 0.070 5 0 "[ . 1 . 2 . 3]" 1
389 1 7 TYR QB 1 8 SER H 4.000 . 5.000 2.365 2.157 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 7 TYR H 1 7 TYR QD 5.000 . 7.400 3.449 3.124 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 7 TYR QD 1 8 SER H 5.000 . 7.400 4.126 3.785 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 7 TYR QE 1 22 ILE H 5.000 . 7.400 4.505 3.331 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 8 SER QB 1 9 ILE H 5.000 . 6.000 3.330 3.053 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 15 HIS H 1 17 THR H 5.000 . 5.000 4.966 4.720 5.049 0.049 24 0 "[ . 1 . 2 . 3]" 1
395 1 16 GLY QA 1 17 THR H 4.000 . 5.000 2.911 2.909 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 16 GLY QA 1 60 VAL H 5.000 . 6.000 3.434 2.854 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 17 THR H 1 60 VAL H 5.000 . 5.000 2.614 2.273 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 17 THR HB 1 60 VAL H 4.000 . 4.000 3.535 3.299 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 17 THR MG 1 60 VAL H 5.000 . 6.000 4.471 4.211 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 18 PHE QB 1 19 VAL H 5.000 . 6.000 3.555 3.049 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 18 PHE H 1 18 PHE QD 5.000 . 7.400 4.004 2.934 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 18 PHE QD 1 19 VAL H 5.000 . 7.400 2.576 2.225 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 18 PHE QD 1 20 GLY H 5.000 . 7.400 3.308 2.923 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 19 VAL HA 1 20 GLY H 5.000 . 5.000 3.560 3.500 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 19 VAL MG1 1 20 GLY H 5.000 . 6.000 3.449 3.265 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 21 ARG HA 1 24 GLN H 5.000 . 5.000 4.022 3.798 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 21 ARG QB 1 22 ILE H 5.000 . 6.000 3.668 3.525 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 22 ILE H 1 58 LEU H 4.000 . 4.000 3.441 2.928 4.119 0.119 18 0 "[ . 1 . 2 . 3]" 1
409 1 22 ILE HA 1 23 ALA H 4.000 . 4.000 3.537 3.513 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 22 ILE HB 1 23 ALA H 5.000 . 5.000 3.960 3.885 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 22 ILE QG 1 23 ALA H 5.000 . 6.000 3.465 3.298 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 23 ALA HA 1 24 GLN H 5.000 . 5.000 3.555 3.517 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 23 ALA HA 1 26 LEU H 5.000 . 5.000 3.309 3.234 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 22 ILE H 1 23 ALA MB 5.000 . 6.000 4.282 4.146 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 23 ALA MB 1 26 LEU H 5.000 . 6.000 4.354 4.291 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 24 GLN HA 1 25 ASP H 4.000 . 4.000 3.537 3.524 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 23 ALA H 1 24 GLN QB 5.000 . 6.000 4.348 4.272 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 25 ASP HA 1 26 LEU H 4.000 . 4.000 3.435 3.348 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 25 ASP QB 1 26 LEU H 4.000 . 5.000 3.000 2.787 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 26 LEU H 1 28 LEU H 5.000 . 5.000 4.320 4.034 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 27 GLY H 1 28 LEU HA 5.000 . 5.000 5.021 4.890 5.132 0.132 21 0 "[ . 1 . 2 . 3]" 1
422 1 28 LEU QB 1 29 GLU H 4.000 . 5.000 2.511 1.996 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 28 LEU H 1 29 GLU H 5.000 . 5.000 4.425 4.358 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 29 GLU HA 1 30 LEU H 4.000 . 4.000 2.219 2.139 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 29 GLU QB 1 32 GLU H 4.000 . 5.000 2.646 2.304 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 30 LEU HA 1 32 GLU H 5.000 . 5.000 3.649 3.413 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 23 ALA H 1 30 LEU MD2 5.000 . 6.000 4.442 3.495 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 30 LEU MD2 1 55 ASN H 5.000 . 6.000 4.688 3.581 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 31 THR HA 1 32 GLU H 5.000 . 5.000 3.233 3.227 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 31 THR HA 1 33 LEU H 5.000 . 5.000 3.813 3.607 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 31 THR HB 1 32 GLU H 5.000 . 5.000 3.989 3.639 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 31 THR MG 1 32 GLU H 5.000 . 6.000 4.284 3.059 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 32 GLU HA 1 33 LEU H 5.000 . 5.000 3.347 3.127 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 33 LEU H 1 34 VAL H 4.000 . 4.000 2.630 2.586 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 33 LEU H 1 33 LEU MD1 4.000 . 5.000 2.891 2.183 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 32 GLU H 1 33 LEU MD2 5.000 . 6.000 4.953 4.078 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 35 PRO HA 1 37 LEU H 5.000 . 5.000 3.523 3.446 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 36 ARG H 1 38 PHE H 5.000 . 5.000 4.059 3.997 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 36 ARG HA 1 37 LEU H 4.000 . 4.000 3.193 3.138 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 36 ARG HA 1 85 ASP H 5.000 . 5.000 4.819 4.414 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 36 ARG QB 1 85 ASP H 4.000 . 5.000 4.276 4.208 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 37 LEU QB 1 85 ASP H 5.000 . 6.000 2.533 2.202 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 38 PHE H 1 39 ARG H 5.000 . 5.000 4.586 4.516 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 38 PHE QB 1 39 ARG H 5.000 . 6.000 3.514 3.316 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 38 PHE H 1 38 PHE QD 4.000 . 6.400 3.842 3.554 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 38 PHE QD 1 39 ARG H 5.000 . 7.400 3.492 3.207 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 39 ARG H 1 39 ARG QD 5.000 . 6.000 4.654 3.995 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 40 VAL MG1 1 49 LEU H 4.000 . 5.000 3.764 3.278 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 42 SER HA 1 81 GLU H 4.000 . 4.000 2.891 2.237 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 45 ARG HA 1 47 ASP H 5.000 . 5.000 4.213 4.181 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 48 LEU HA 1 49 LEU H 5.000 . 5.000 3.546 3.538 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 48 LEU HG 1 49 LEU H 5.000 . 5.000 4.369 1.946 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 49 LEU HA 1 62 SER H 5.000 . 5.000 4.516 3.566 5.024 0.024 29 0 "[ . 1 . 2 . 3]" 1
454 1 49 LEU H 1 50 GLU H 5.000 . 5.000 4.382 4.341 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 50 GLU H 1 59 PHE H 4.000 . 4.000 3.638 3.227 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 50 GLU QG 1 51 VAL H 4.000 . 5.000 3.259 2.323 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 51 VAL HB 1 52 ASN H 5.000 . 5.000 3.956 3.915 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 52 ASN H 1 56 GLY H 5.000 . 5.000 4.493 4.113 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 52 ASN H 1 57 ILE H 5.000 . 5.000 3.969 3.239 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 52 ASN HA 1 54 GLN H 5.000 . 5.000 3.457 3.400 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 52 ASN QB 1 55 ASN H 4.000 . 5.000 3.306 2.942 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 52 ASN QB 1 57 ILE H 5.000 . 6.000 3.471 2.961 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 52 ASN QB 1 59 PHE H 4.000 . 5.000 4.438 4.147 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 53 LEU H 1 54 GLN H 4.000 . 4.000 2.609 2.563 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 53 LEU HA 1 54 GLN H 4.000 . 4.000 3.364 3.317 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 53 LEU QB 1 54 GLN H 5.000 . 6.000 3.165 3.014 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 54 GLN HA 1 55 ASN H 5.000 . 5.000 3.562 3.529 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 54 GLN HA 1 56 GLY H 5.000 . 5.000 4.774 4.511 5.063 0.063 18 0 "[ . 1 . 2 . 3]" 1
469 1 54 GLN QB 1 55 ASN H 4.000 . 5.000 2.272 2.053 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 55 ASN H 1 57 ILE H 4.000 . 4.000 3.309 2.886 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 55 ASN HA 1 56 GLY H 5.000 . 5.000 3.268 3.007 3.490 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 55 ASN H 1 56 GLY QA 5.000 . 6.000 3.877 3.766 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 56 GLY QA 1 57 ILE H 4.000 . 5.000 2.846 2.774 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 56 GLY H 1 57 ILE HB 5.000 . 5.000 4.860 4.344 5.083 0.083 1 0 "[ . 1 . 2 . 3]" 1
475 1 57 ILE HB 1 58 LEU H 4.000 . 4.000 4.000 3.731 4.110 0.110 21 0 "[ . 1 . 2 . 3]" 1
476 1 57 ILE H 1 57 ILE QG 4.000 . 5.000 3.839 2.196 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 20 GLY H 1 58 LEU H 4.000 . 4.000 3.133 2.644 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 20 GLY H 1 58 LEU QB 4.000 . 5.000 2.620 2.031 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 22 ILE H 1 58 LEU MD1 5.000 . 6.000 5.098 4.383 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 58 LEU H 1 58 LEU MD1 5.000 . 6.000 4.243 3.737 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 59 PHE H 1 60 VAL H 5.000 . 5.000 4.491 4.385 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 17 THR H 1 59 PHE QB 5.000 . 6.000 3.733 3.077 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 17 THR H 1 59 PHE QD 5.000 . 7.400 4.864 3.953 5.659 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 52 ASN H 1 59 PHE QD 4.000 . 6.400 3.323 2.715 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 59 PHE QD 1 60 VAL H 5.000 . 7.400 3.661 3.311 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 16 GLY H 1 60 VAL HB 5.000 . 5.000 2.386 1.928 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 16 GLY H 1 60 VAL MG1 5.000 . 6.000 3.677 3.011 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 61 ASN HA 1 62 SER H 4.000 . 4.000 2.839 2.622 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 50 GLU H 1 61 ASN QB 5.000 . 6.000 2.920 2.446 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 61 ASN QB 1 62 SER H 4.000 . 5.000 3.776 1.978 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 64 ILE H 1 64 ILE MD 5.000 . 6.000 3.337 2.387 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 65 ASP H 1 69 LEU H 4.000 . 4.000 4.142 3.927 4.282 0.282 19 0 "[ . 1 . 2 . 3]" 1
493 1 72 ARG HA 1 73 SER H 5.000 . 5.000 3.326 2.387 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 74 ALA MB 1 75 GLU H 4.000 . 5.000 2.751 2.356 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 76 CYS QB 1 77 SER H 5.000 . 6.000 3.373 2.962 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 76 CYS QB 1 97 VAL H 5.000 . 6.000 3.920 3.550 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 77 SER QB 1 78 ILE H 4.000 . 5.000 2.859 2.643 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 78 ILE HB 1 95 VAL H 5.000 . 5.000 2.884 2.830 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 79 HIS QB 1 80 LEU H 4.000 . 5.000 2.903 2.890 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 79 HIS QB 1 93 VAL H 5.000 . 6.000 5.151 5.068 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 80 LEU H 1 93 VAL H 4.000 . 4.000 3.263 3.122 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 80 LEU QB 1 93 VAL H 5.000 . 6.000 3.785 3.466 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 80 LEU H 1 80 LEU HG 5.000 . 5.000 4.672 4.664 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 41 ALA H 1 81 GLU H 4.000 . 4.000 3.760 3.484 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 81 GLU HA 1 93 VAL H 4.000 . 4.000 3.494 3.135 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 82 VAL HA 1 91 PHE H 5.000 . 5.000 4.402 4.281 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 82 VAL HB 1 91 PHE H 4.000 . 4.000 2.797 2.603 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 39 ARG H 1 83 ILE MD 5.000 . 6.000 4.240 3.467 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 39 ARG H 1 84 VAL H 5.000 . 5.000 5.009 4.785 5.072 0.072 28 0 "[ . 1 . 2 . 3]" 1
510 1 85 ASP H 1 85 ASP QB 3.000 . 4.000 2.327 2.256 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 88 LEU H 1 89 GLN H 5.000 . 5.000 4.294 4.216 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 88 LEU H 1 88 LEU MD1 4.000 . 5.000 3.506 2.253 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 90 VAL HB 1 91 PHE H 5.000 . 5.000 3.475 2.548 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 82 VAL H 1 91 PHE QB 5.000 . 6.000 3.162 2.992 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 91 PHE QB 1 92 HIS H 5.000 . 6.000 3.194 2.680 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 90 VAL H 1 91 PHE QD 5.000 . 7.400 5.238 4.781 5.674 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 82 VAL H 1 92 HIS HA 5.000 . 5.000 4.418 4.073 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 92 HIS QB 1 93 VAL H 4.000 . 5.000 3.694 3.403 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 92 HIS H 1 92 HIS HD2 5.000 . 5.000 4.363 3.236 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 80 LEU H 1 93 VAL HB 5.000 . 5.000 3.482 3.339 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 5 ILE H 1 93 VAL MG2 5.000 . 6.000 4.459 3.893 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 93 VAL H 1 94 GLU H 5.000 . 5.000 4.361 4.281 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 7 TYR H 1 94 GLU QB 5.000 . 6.000 4.223 3.670 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 96 GLU H 1 97 VAL H 5.000 . 5.000 4.535 4.503 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 78 ILE H 1 96 GLU HA 5.000 . 5.000 3.378 3.254 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 96 GLU QG 1 97 VAL H 4.000 . 5.000 2.955 2.123 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 9 ILE H 1 97 VAL HA 5.000 . 5.000 3.738 3.238 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 11 GLU H 1 97 VAL HB 4.000 . 4.000 3.505 3.261 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 11 GLU H 1 97 VAL MG1 4.000 . 5.000 4.104 4.023 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 9 ILE H 1 98 ARG H 5.000 . 5.000 4.133 3.637 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 11 GLU H 1 98 ARG H 5.000 . 5.000 2.714 1.890 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 11 GLU H 1 99 ASP H 5.000 . 5.000 4.723 3.666 5.011 0.011 21 0 "[ . 1 . 2 . 3]" 1
533 1 102 ASP HA 1 103 ASN H 5.000 . 5.000 3.297 2.933 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 4 GLN HA 1 5 ILE H 4.000 . 4.000 2.163 2.141 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 5 ILE H 1 5 ILE HB 4.000 . 4.000 2.872 2.763 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 5 ILE H 1 5 ILE QG 4.000 . 5.000 2.918 2.594 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 7 TYR HA 1 8 SER H 4.000 . 4.000 2.448 2.314 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 11 GLU H 1 12 GLU QB 5.000 . 6.000 5.058 4.887 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 13 ALA HA 1 14 LYS H 4.000 . 4.000 2.175 2.140 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 16 GLY H 1 17 THR H 4.000 . 4.000 2.159 2.137 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 18 PHE QE 1 21 ARG H 4.000 . 6.400 3.084 2.146 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 19 VAL H 1 20 GLY H 4.000 . 4.000 2.106 1.895 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 19 VAL H 1 19 VAL HB 4.000 . 4.000 2.731 2.635 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 19 VAL HB 1 20 GLY H 4.000 . 4.000 2.406 2.210 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 19 VAL H 1 19 VAL MG2 4.000 . 5.000 2.781 2.618 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 20 GLY QA 1 21 ARG H 4.000 . 5.000 2.160 2.110 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 21 ARG H 1 21 ARG QD 4.000 . 5.000 3.475 1.937 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 22 ILE H 1 23 ALA H 4.000 . 4.000 2.625 2.509 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 20 GLY H 1 22 ILE HB 5.000 . 6.000 5.895 5.598 6.074 0.074 5 0 "[ . 1 . 2 . 3]" 1
550 1 23 ALA H 1 24 GLN H 4.000 . 4.000 2.646 2.550 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 23 ALA MB 1 24 GLN H 4.000 . 5.000 2.462 2.250 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 24 GLN H 1 25 ASP H 4.000 . 4.000 2.768 2.651 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 24 GLN QB 1 25 ASP H 4.000 . 5.000 2.548 2.314 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 25 ASP H 1 26 LEU H 4.000 . 4.000 2.479 2.442 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 25 ASP H 1 25 ASP QB 3.000 . 4.000 2.374 2.067 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 26 LEU H 1 26 LEU MD1 4.000 . 5.000 2.602 2.424 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 26 LEU H 1 26 LEU HG 5.000 . 5.000 4.380 4.277 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 27 GLY QA 1 28 LEU H 4.000 . 5.000 2.715 2.617 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 28 LEU H 1 28 LEU QB 3.000 . 4.000 3.039 2.551 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 29 GLU H 1 29 GLU QG 4.000 . 5.000 3.599 1.923 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 32 GLU H 1 33 LEU H 3.000 . 3.000 2.101 1.910 2.229 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 32 GLU H 1 32 GLU QG 4.000 . 5.000 3.588 2.883 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 29 GLU H 1 32 GLU QG 4.000 . 5.000 3.767 2.993 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 33 LEU QB 1 34 VAL H 4.000 . 5.000 2.537 2.467 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 33 LEU H 1 33 LEU MD2 4.000 . 5.000 3.799 3.372 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 37 LEU HA 1 38 PHE H 4.000 . 4.000 2.603 2.570 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 40 VAL HB 1 41 ALA H 4.000 . 4.000 3.978 3.814 4.013 0.013 26 0 "[ . 1 . 2 . 3]" 1
568 1 40 VAL MG1 1 83 ILE H 5.000 . 6.000 4.612 4.419 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 40 VAL H 1 40 VAL MG2 4.000 . 5.000 2.676 2.408 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 40 VAL MG2 1 41 ALA H 4.000 . 5.000 3.938 3.862 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 47 ASP HA 1 48 LEU H 4.000 . 4.000 2.541 2.463 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 48 LEU QB 1 49 LEU H 4.000 . 5.000 2.490 2.442 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 48 LEU H 1 48 LEU QB 3.000 . 4.000 2.518 2.318 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 48 LEU H 1 48 LEU MD2 4.000 . 5.000 3.908 2.187 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 49 LEU HA 1 50 GLU H 4.000 . 4.000 2.491 2.268 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 49 LEU QB 1 50 GLU H 4.000 . 5.000 2.220 1.931 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 51 VAL HA 1 59 PHE H 4.000 . 4.000 3.213 2.849 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 51 VAL H 1 51 VAL HB 4.000 . 4.000 2.958 2.889 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 52 ASN HA 1 53 LEU H 4.000 . 4.000 2.143 2.140 2.153 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 52 ASN H 1 53 LEU HA 5.000 . 5.000 5.080 5.010 5.133 0.133 28 0 "[ . 1 . 2 . 3]" 1
581 1 58 LEU MD1 1 59 PHE H 4.000 . 5.000 2.650 2.018 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 19 VAL H 1 59 PHE HA 4.000 . 4.000 3.821 3.314 4.081 0.081 26 0 "[ . 1 . 2 . 3]" 1
583 1 59 PHE QB 1 60 VAL H 4.000 . 5.000 2.661 2.121 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 16 GLY H 1 59 PHE QD 4.000 . 6.400 3.293 2.349 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 59 PHE H 1 59 PHE QD 4.000 . 6.400 2.497 1.976 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 17 THR H 1 60 VAL HB 4.000 . 4.000 2.393 1.975 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 60 VAL H 1 60 VAL HB 4.000 . 4.000 2.541 2.388 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 65 ASP HA 1 66 ARG H 4.000 . 4.000 2.217 2.169 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 68 GLU QB 1 69 LEU H 4.000 . 5.000 2.435 2.188 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 77 SER HA 1 97 VAL H 4.000 . 4.000 3.926 3.728 4.027 0.027 6 0 "[ . 1 . 2 . 3]" 1
591 1 78 ILE H 1 78 ILE HB 4.000 . 4.000 2.734 2.628 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 78 ILE MD 1 95 VAL H 4.000 . 5.000 4.102 4.064 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 78 ILE MG 1 79 HIS H 4.000 . 5.000 2.255 2.081 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 80 LEU MD2 1 91 PHE H 5.000 . 6.000 5.049 5.008 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 81 GLU HA 1 91 PHE H 4.000 . 4.000 4.050 4.009 4.098 0.098 2 0 "[ . 1 . 2 . 3]" 1
596 1 82 VAL H 1 91 PHE H 4.000 . 4.000 2.605 2.444 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 82 VAL H 1 82 VAL HB 4.000 . 4.000 2.715 2.658 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 82 VAL MG1 1 83 ILE H 4.000 . 5.000 3.101 2.860 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 82 VAL H 1 82 VAL MG2 4.000 . 5.000 2.050 1.909 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 83 ILE H 1 83 ILE HB 4.000 . 4.000 2.735 2.553 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 83 ILE QG 1 84 VAL H 4.000 . 5.000 3.303 2.141 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 84 VAL H 1 84 VAL MG2 4.000 . 5.000 2.161 1.998 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 89 GLN QB 1 90 VAL H 4.000 . 5.000 2.129 1.927 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 90 VAL HA 1 91 PHE H 4.000 . 4.000 2.318 2.267 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 90 VAL H 1 90 VAL HB 4.000 . 4.000 2.965 2.727 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 90 VAL H 1 90 VAL MG2 4.000 . 5.000 2.672 2.048 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 91 PHE H 1 91 PHE QD 4.000 . 6.400 3.458 3.046 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 5 ILE H 1 93 VAL HA 4.000 . 4.000 3.539 2.816 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 93 VAL H 1 93 VAL HB 4.000 . 4.000 2.614 2.494 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 7 TYR H 1 95 VAL HA 4.000 . 4.000 2.441 2.295 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 95 VAL H 1 95 VAL HB 4.000 . 4.000 3.724 3.699 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 94 GLU H 1 95 VAL MG1 4.000 . 5.000 3.928 3.823 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 78 ILE H 1 95 VAL MG2 4.000 . 5.000 3.610 3.503 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 97 VAL H 1 97 VAL MG2 4.000 . 5.000 1.944 1.878 2.001 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 98 ARG HA 1 99 ASP H 4.000 . 4.000 2.153 2.139 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 5 ILE HA 1 6 HIS H 3.000 . 3.000 2.224 2.183 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 7 TYR H 1 7 TYR HA 3.000 . 3.000 2.944 2.913 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 8 SER HA 1 9 ILE H 3.000 . 3.000 2.158 2.139 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 10 PRO HA 1 11 GLU H 3.000 . 3.000 2.175 2.156 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 15 HIS HA 1 16 GLY H 3.000 . 3.000 2.146 2.144 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 17 THR H 1 17 THR HB 3.000 . 3.000 2.461 2.405 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 18 PHE HA 1 19 VAL H 3.000 . 3.000 2.205 2.150 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 22 ILE H 1 22 ILE HA 3.000 . 3.000 2.829 2.749 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 22 ILE H 1 22 ILE HB 3.000 . 3.000 2.703 2.606 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 22 ILE H 1 22 ILE MG 3.000 . 4.000 1.849 1.792 1.915 0.008 1 0 "[ . 1 . 2 . 3]" 1
626 1 22 ILE MG 1 23 ALA H 3.000 . 4.000 1.941 1.859 2.037 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 23 ALA H 1 23 ALA MB 3.000 . 4.000 2.159 2.042 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 24 GLN H 1 24 GLN QB 3.000 . 4.000 2.168 2.054 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 28 LEU HA 1 29 GLU H 3.000 . 3.000 2.441 2.181 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 32 GLU QB 1 33 LEU H 3.000 . 4.000 3.213 3.015 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 34 VAL H 1 35 PRO QD 3.000 . 4.000 2.120 2.076 2.141 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 37 LEU H 1 37 LEU HA 3.000 . 3.000 2.284 2.277 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 38 PHE HA 1 39 ARG H 3.000 . 3.000 2.187 2.148 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 38 PHE H 1 38 PHE QB 3.000 . 4.000 2.138 2.065 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 39 ARG HA 1 40 VAL H 3.000 . 3.000 2.250 2.182 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 39 ARG QB 1 40 VAL H 3.000 . 4.000 3.086 2.835 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 40 VAL HA 1 41 ALA H 3.000 . 3.000 2.208 2.184 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 50 GLU HA 1 51 VAL H 3.000 . 3.000 2.264 2.212 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 51 VAL HA 1 52 ASN H 3.000 . 3.000 2.220 2.188 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 54 GLN H 1 55 ASN H 3.000 . 3.000 2.876 2.681 3.013 0.013 24 0 "[ . 1 . 2 . 3]" 1
641 1 57 ILE HA 1 58 LEU H 3.000 . 3.000 2.269 2.173 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 57 ILE H 1 57 ILE HB 3.000 . 3.000 2.600 2.351 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 58 LEU HA 1 59 PHE H 3.000 . 3.000 2.155 2.138 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 59 PHE HA 1 60 VAL H 3.000 . 3.000 2.308 2.167 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 76 CYS HA 1 77 SER H 3.000 . 3.000 2.167 2.145 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 77 SER HA 1 78 ILE H 3.000 . 3.000 2.258 2.183 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 78 ILE HA 1 79 HIS H 3.000 . 3.000 2.203 2.183 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 79 HIS HA 1 80 LEU H 3.000 . 3.000 2.215 2.203 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 81 GLU H 1 81 GLU HA 3.000 . 3.000 2.942 2.937 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 82 VAL HA 1 83 ILE H 3.000 . 3.000 2.157 2.153 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 82 VAL H 1 83 ILE HA 5.000 . 5.000 5.090 5.031 5.109 0.109 24 0 "[ . 1 . 2 . 3]" 1
652 1 83 ILE HA 1 84 VAL H 3.000 . 3.000 2.163 2.139 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 84 VAL HA 1 85 ASP H 3.000 . 3.000 2.190 2.148 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 87 PRO HA 1 88 LEU H 3.000 . 3.000 2.302 2.261 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 88 LEU H 1 88 LEU QB 3.000 . 4.000 2.188 2.058 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 89 GLN HA 1 90 VAL H 3.000 . 3.000 2.629 2.498 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 91 PHE HA 1 92 HIS H 3.000 . 3.000 2.158 2.139 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 92 HIS HA 1 93 VAL H 3.000 . 3.000 2.143 2.139 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 93 VAL HA 1 94 GLU H 3.000 . 3.000 2.160 2.142 2.198 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 94 GLU HA 1 95 VAL H 3.000 . 3.000 2.148 2.140 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 96 GLU HA 1 97 VAL H 3.000 . 3.000 2.310 2.278 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 18 PHE HA 1 59 PHE QD 5.000 . 7.400 5.977 5.055 6.398 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 19 VAL MG1 1 58 LEU MD2 5.000 . 7.000 4.686 3.559 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 7 TYR QD 1 19 VAL MG2 5.000 . 8.400 4.608 4.295 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 7 TYR QE 1 19 VAL MG2 5.000 . 8.400 5.887 5.546 6.196 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 18 PHE QD 1 20 GLY QA 5.000 . 8.400 3.889 3.269 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 18 PHE QD 1 21 ARG HA 5.000 . 7.400 5.474 4.912 6.528 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 18 PHE QD 1 21 ARG QB 5.000 . 8.400 6.088 5.385 6.906 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 18 PHE QD 1 21 ARG QG 5.000 . 8.400 5.134 4.248 6.907 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 22 ILE MG 1 38 PHE QE 4.000 . 7.400 3.348 2.811 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 23 ALA MB 1 38 PHE HZ 5.000 . 6.000 4.885 4.798 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 26 LEU MD2 1 91 PHE QE 5.000 . 8.400 2.529 2.251 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 28 LEU QB 1 91 PHE QD 5.000 . 8.400 6.782 6.447 6.915 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 28 LEU QB 1 91 PHE QE 5.000 . 8.400 5.346 4.952 5.507 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 50 GLU QB 1 59 PHE QE 5.000 . 8.400 2.464 2.055 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 51 VAL HA 1 59 PHE QD 5.000 . 7.400 3.739 3.342 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 38 PHE QD 1 51 VAL MG2 5.000 . 8.400 3.894 3.596 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 38 PHE QE 1 51 VAL MG2 5.000 . 8.400 3.209 2.753 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 38 PHE HZ 1 51 VAL MG2 5.000 . 6.000 4.465 3.972 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 51 VAL MG2 1 58 LEU MD2 5.000 . 7.000 2.619 2.075 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 18 PHE QD 1 57 ILE HB 5.000 . 7.400 4.878 4.335 5.792 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 7 TYR QE 1 57 ILE MD 5.000 . 8.400 6.280 5.080 6.395 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 57 ILE MG 1 59 PHE QD 5.000 . 8.400 3.467 2.820 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 7 TYR QD 1 58 LEU MD1 5.000 . 8.400 3.680 2.100 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 7 TYR QE 1 58 LEU MD1 5.000 . 8.400 3.725 1.900 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 19 VAL MG2 1 58 LEU MD2 5.000 . 7.000 4.728 4.097 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 15 HIS HD2 1 61 ASN HA 5.000 . 5.000 3.175 2.048 5.007 0.007 1 0 "[ . 1 . 2 . 3]" 1
688 1 59 PHE QD 1 61 ASN HA 5.000 . 7.400 4.132 3.744 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 38 PHE QE 1 82 VAL MG1 5.000 . 8.400 2.428 2.065 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 38 PHE HZ 1 82 VAL MG1 5.000 . 6.000 2.560 2.086 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 38 PHE HZ 1 82 VAL MG2 5.000 . 6.000 3.834 3.467 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 84 VAL MG1 1 91 PHE QE 5.000 . 8.400 2.008 1.887 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 38 PHE QD 1 84 VAL MG2 5.000 . 8.400 4.517 4.254 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 89 GLN QB 1 91 PHE QE 5.000 . 8.400 4.439 3.725 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 79 HIS HD2 1 94 GLU HA 5.000 . 5.000 4.207 3.590 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 11 GLU QG 1 99 ASP H 5.000 . 6.000 4.457 3.983 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 11 GLU QG 1 99 ASP HA 5.000 . 6.000 4.873 3.803 5.477 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 11 GLU QG 1 99 ASP QB 5.000 . 7.000 2.268 1.848 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 11 GLU QG 1 97 VAL MG1 5.000 . 7.000 2.503 2.056 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 11 GLU QG 1 69 LEU MD2 5.000 . 7.000 4.363 2.515 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 32 GLU HA 1 35 PRO QD 5.000 . 6.000 2.658 2.517 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 64 ILE HA 1 69 LEU MD1 5.000 . 6.000 3.682 1.902 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 69 LEU HA 1 70 CYS HA 5.000 . 5.000 4.681 4.608 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 66 ARG QB 1 101 ASN HA 5.000 . 6.000 5.060 3.003 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 70 CYS QB 1 73 SER QB 5.000 . 7.000 3.838 2.098 5.477 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 42 SER QB 1 78 ILE MG 5.000 . 7.000 4.588 4.103 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 48 LEU HA 1 62 SER H 5.000 . 5.000 4.806 2.946 5.066 0.066 16 0 "[ . 1 . 2 . 3]" 1
708 1 47 ASP QB 1 48 LEU H 5.000 . 6.000 3.923 3.542 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 49 LEU MD1 1 62 SER H 5.000 . 6.000 4.819 4.652 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 28 LEU MD2 1 29 GLU H 5.000 . 6.000 4.372 3.568 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 52 ASN QB 1 56 GLY H 5.000 . 6.000 3.650 2.880 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 60 VAL MG1 1 64 ILE H 5.000 . 6.000 4.059 3.640 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 49 LEU QB 1 80 LEU MD1 5.000 . 7.000 2.926 2.163 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 19 VAL HA 1 60 VAL MG2 5.000 . 6.000 4.421 4.022 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 9 ILE MD 1 11 GLU HA 5.000 . 6.000 4.460 2.957 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 49 LEU MD1 1 95 VAL HB 5.000 . 6.000 4.204 3.688 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 48 LEU HA 1 64 ILE MD 5.000 . 6.000 4.652 4.106 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 60 VAL HA 1 64 ILE MD 5.000 . 6.000 4.100 3.486 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 64 ILE MD 1 69 LEU HG 5.000 . 6.000 4.224 3.113 4.890 . 0 0 "[ . 1 . 2 . 3]" 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 80
_Distance_constraint_stats_list.Viol_count 990
_Distance_constraint_stats_list.Viol_total 1304.343
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0181
_Distance_constraint_stats_list.Viol_average_violations_only 0.0439
_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 3 SER 0.491 0.039 25 0 "[ . 1 . 2 . 3]"
1 5 ILE 0.177 0.039 21 0 "[ . 1 . 2 . 3]"
1 7 TYR 4.342 0.130 8 0 "[ . 1 . 2 . 3]"
1 8 SER 2.152 0.155 21 0 "[ . 1 . 2 . 3]"
1 9 ILE 2.398 0.102 21 0 "[ . 1 . 2 . 3]"
1 11 GLU 0.718 0.132 27 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.840 0.104 21 0 "[ . 1 . 2 . 3]"
1 17 THR 0.776 0.074 30 0 "[ . 1 . 2 . 3]"
1 19 VAL 3.179 0.155 21 0 "[ . 1 . 2 . 3]"
1 21 ARG 0.517 0.058 19 0 "[ . 1 . 2 . 3]"
1 23 ALA 1.151 0.067 26 0 "[ . 1 . 2 . 3]"
1 25 ASP 0.517 0.058 19 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.215 0.031 6 0 "[ . 1 . 2 . 3]"
1 27 GLY 0.937 0.067 26 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.312 0.061 26 0 "[ . 1 . 2 . 3]"
1 32 GLU 0.312 0.061 26 0 "[ . 1 . 2 . 3]"
1 33 LEU 2.179 0.098 18 0 "[ . 1 . 2 . 3]"
1 34 VAL 0.071 0.023 26 0 "[ . 1 . 2 . 3]"
1 36 ARG 1.941 0.102 30 0 "[ . 1 . 2 . 3]"
1 37 LEU 4.503 0.231 13 0 "[ . 1 . 2 . 3]"
1 38 PHE 1.671 0.098 18 0 "[ . 1 . 2 . 3]"
1 39 ARG 1.418 0.054 19 0 "[ . 1 . 2 . 3]"
1 41 ALA 0.491 0.040 22 0 "[ . 1 . 2 . 3]"
1 48 LEU 1.717 0.124 9 0 "[ . 1 . 2 . 3]"
1 50 GLU 1.967 0.069 8 0 "[ . 1 . 2 . 3]"
1 52 ASN 2.274 0.113 5 0 "[ . 1 . 2 . 3]"
1 56 GLY 1.973 0.113 5 0 "[ . 1 . 2 . 3]"
1 57 ILE 0.301 0.041 13 0 "[ . 1 . 2 . 3]"
1 58 LEU 1.027 0.090 30 0 "[ . 1 . 2 . 3]"
1 59 PHE 1.967 0.069 8 0 "[ . 1 . 2 . 3]"
1 60 VAL 1.616 0.104 21 0 "[ . 1 . 2 . 3]"
1 61 ASN 1.717 0.124 9 0 "[ . 1 . 2 . 3]"
1 76 CYS 1.339 0.068 30 0 "[ . 1 . 2 . 3]"
1 78 ILE 2.133 0.064 27 0 "[ . 1 . 2 . 3]"
1 80 LEU 1.616 0.072 22 0 "[ . 1 . 2 . 3]"
1 81 GLU 0.491 0.040 22 0 "[ . 1 . 2 . 3]"
1 82 VAL 0.844 0.065 26 0 "[ . 1 . 2 . 3]"
1 83 ILE 1.418 0.054 19 0 "[ . 1 . 2 . 3]"
1 84 VAL 0.600 0.061 21 0 "[ . 1 . 2 . 3]"
1 85 ASP 5.865 0.231 13 0 "[ . 1 . 2 . 3]"
1 86 ARG 6.064 0.208 3 0 "[ . 1 . 2 . 3]"
1 87 PRO 6.064 0.208 3 0 "[ . 1 . 2 . 3]"
1 89 GLN 0.600 0.061 21 0 "[ . 1 . 2 . 3]"
1 91 PHE 0.844 0.065 26 0 "[ . 1 . 2 . 3]"
1 92 HIS 0.616 0.039 21 0 "[ . 1 . 2 . 3]"
1 93 VAL 1.616 0.072 22 0 "[ . 1 . 2 . 3]"
1 94 GLU 0.166 0.053 5 0 "[ . 1 . 2 . 3]"
1 95 VAL 2.133 0.064 27 0 "[ . 1 . 2 . 3]"
1 96 GLU 5.726 0.130 8 0 "[ . 1 . 2 . 3]"
1 97 VAL 1.339 0.068 30 0 "[ . 1 . 2 . 3]"
1 98 ARG 1.617 0.132 27 0 "[ . 1 . 2 . 3]"
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 39 ARG H 1 83 ILE O 2.300 . 2.300 2.182 2.016 2.330 0.030 13 0 "[ . 1 . 2 . 3]" 2
2 1 39 ARG N 1 83 ILE O 3.300 2.800 3.300 2.823 2.747 2.897 0.053 25 0 "[ . 1 . 2 . 3]" 2
3 1 19 VAL H 1 58 LEU O 2.300 . 2.300 2.307 2.106 2.390 0.090 30 0 "[ . 1 . 2 . 3]" 2
4 1 19 VAL N 1 58 LEU O 3.300 2.800 3.300 3.049 2.802 3.256 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 41 ALA H 1 81 GLU O 2.300 . 2.300 2.286 1.929 2.340 0.040 22 0 "[ . 1 . 2 . 3]" 2
6 1 41 ALA N 1 81 GLU O 3.300 2.800 3.300 3.070 2.800 3.185 . 24 0 "[ . 1 . 2 . 3]" 2
7 1 17 THR O 1 60 VAL H 2.300 . 2.300 2.289 2.063 2.374 0.074 30 0 "[ . 1 . 2 . 3]" 2
8 1 17 THR O 1 60 VAL N 3.300 2.800 3.300 3.081 2.888 3.273 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 80 LEU O 1 93 VAL H 2.300 . 2.300 2.138 1.795 2.328 0.028 25 0 "[ . 1 . 2 . 3]" 2
10 1 80 LEU O 1 93 VAL N 3.300 2.800 3.300 3.067 2.765 3.229 0.035 9 0 "[ . 1 . 2 . 3]" 2
11 1 82 VAL O 1 91 PHE H 2.300 . 2.300 2.155 1.879 2.365 0.065 26 0 "[ . 1 . 2 . 3]" 2
12 1 82 VAL O 1 91 PHE N 3.300 2.800 3.300 3.003 2.746 3.209 0.054 19 0 "[ . 1 . 2 . 3]" 2
13 1 5 ILE O 1 94 GLU H 2.300 . 2.300 2.106 1.951 2.336 0.036 5 0 "[ . 1 . 2 . 3]" 2
14 1 5 ILE O 1 94 GLU N 3.300 2.800 3.300 2.916 2.791 3.118 0.009 27 0 "[ . 1 . 2 . 3]" 2
15 1 52 ASN H 1 57 ILE O 2.300 . 2.300 2.102 1.804 2.341 0.041 13 0 "[ . 1 . 2 . 3]" 2
16 1 52 ASN N 1 57 ILE O 3.300 2.800 3.300 3.060 2.782 3.287 0.018 23 0 "[ . 1 . 2 . 3]" 2
17 1 78 ILE H 1 95 VAL O 2.300 . 2.300 2.337 2.308 2.359 0.059 15 0 "[ . 1 . 2 . 3]" 2
18 1 78 ILE N 1 95 VAL O 3.300 2.800 3.300 3.016 2.929 3.106 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 80 LEU H 1 93 VAL O 2.300 . 2.300 1.914 1.862 2.003 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 80 LEU N 1 93 VAL O 3.300 2.800 3.300 2.751 2.728 2.777 0.072 22 0 "[ . 1 . 2 . 3]" 2
21 1 82 VAL H 1 91 PHE O 2.300 . 2.300 2.230 1.918 2.356 0.056 25 0 "[ . 1 . 2 . 3]" 2
22 1 82 VAL N 1 91 PHE O 3.300 2.800 3.300 3.197 2.862 3.320 0.020 25 0 "[ . 1 . 2 . 3]" 2
23 1 78 ILE O 1 95 VAL H 2.300 . 2.300 2.326 2.081 2.364 0.064 27 0 "[ . 1 . 2 . 3]" 2
24 1 78 ILE O 1 95 VAL N 3.300 2.800 3.300 3.097 3.036 3.133 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 39 ARG O 1 83 ILE H 2.300 . 2.300 2.318 2.232 2.354 0.054 19 0 "[ . 1 . 2 . 3]" 2
26 1 39 ARG O 1 83 ILE N 3.300 2.800 3.300 2.809 2.761 2.884 0.039 25 0 "[ . 1 . 2 . 3]" 2
27 1 84 VAL H 1 89 GLN O 2.300 . 2.300 2.116 1.801 2.326 0.026 6 0 "[ . 1 . 2 . 3]" 2
28 1 84 VAL N 1 89 GLN O 3.300 2.800 3.300 3.048 2.761 3.276 0.039 2 0 "[ . 1 . 2 . 3]" 2
29 1 52 ASN O 1 56 GLY H 2.300 . 2.300 2.087 1.943 2.152 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 52 ASN O 1 56 GLY N 3.300 2.800 3.300 2.734 2.687 2.773 0.113 5 0 "[ . 1 . 2 . 3]" 2
31 1 34 VAL O 1 37 LEU H 2.300 . 2.300 2.257 2.192 2.323 0.023 26 0 "[ . 1 . 2 . 3]" 2
32 1 34 VAL O 1 37 LEU N 3.300 2.800 3.300 3.150 3.117 3.178 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 33 LEU O 1 36 ARG H 2.300 . 2.300 2.316 2.263 2.344 0.044 17 0 "[ . 1 . 2 . 3]" 2
34 1 33 LEU O 1 36 ARG N 3.300 2.800 3.300 3.004 2.953 3.037 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 21 ARG O 1 25 ASP H 2.300 . 2.300 2.192 1.818 2.358 0.058 19 0 "[ . 1 . 2 . 3]" 2
36 1 21 ARG O 1 25 ASP N 3.300 2.800 3.300 3.099 2.759 3.297 0.041 23 0 "[ . 1 . 2 . 3]" 2
37 1 29 GLU O 1 32 GLU H 2.300 . 2.300 2.083 1.824 2.311 0.011 28 0 "[ . 1 . 2 . 3]" 2
38 1 29 GLU O 1 32 GLU N 3.300 2.800 3.300 2.982 2.739 3.192 0.061 26 0 "[ . 1 . 2 . 3]" 2
39 1 23 ALA O 1 26 LEU H 2.300 . 2.300 2.221 1.984 2.315 0.015 15 0 "[ . 1 . 2 . 3]" 2
40 1 23 ALA O 1 26 LEU N 3.300 2.800 3.300 2.901 2.769 3.111 0.031 6 0 "[ . 1 . 2 . 3]" 2
41 1 33 LEU O 1 38 PHE H 2.300 . 2.300 2.351 2.186 2.398 0.098 18 0 "[ . 1 . 2 . 3]" 2
42 1 33 LEU O 1 38 PHE N 3.300 2.800 3.300 3.239 3.097 3.321 0.021 23 0 "[ . 1 . 2 . 3]" 2
43 1 23 ALA O 1 27 GLY H 2.300 . 2.300 1.852 1.796 2.003 0.004 12 0 "[ . 1 . 2 . 3]" 2
44 1 23 ALA O 1 27 GLY N 3.300 2.800 3.300 2.778 2.733 2.889 0.067 26 0 "[ . 1 . 2 . 3]" 2
45 1 36 ARG O 1 85 ASP H 2.300 . 2.300 2.330 1.963 2.402 0.102 30 0 "[ . 1 . 2 . 3]" 2
46 1 36 ARG O 1 85 ASP N 3.300 2.800 3.300 3.012 2.710 3.199 0.090 13 0 "[ . 1 . 2 . 3]" 2
47 1 16 GLY H 1 60 VAL O 2.300 . 2.300 2.312 2.112 2.404 0.104 21 0 "[ . 1 . 2 . 3]" 2
48 1 16 GLY N 1 60 VAL O 3.300 2.800 3.300 3.149 2.963 3.274 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 7 TYR H 1 94 GLU O 2.300 . 2.300 2.063 1.848 2.295 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 7 TYR N 1 94 GLU O 3.300 2.800 3.300 2.920 2.747 3.121 0.053 5 0 "[ . 1 . 2 . 3]" 2
51 1 7 TYR O 1 96 GLU H 2.300 . 2.300 2.397 2.361 2.430 0.130 8 0 "[ . 1 . 2 . 3]" 2
52 1 7 TYR O 1 96 GLU N 3.300 2.800 3.300 3.344 3.317 3.367 0.067 12 0 "[ . 1 . 2 . 3]" 2
53 1 9 ILE H 1 96 GLU O 2.300 . 2.300 2.347 2.230 2.402 0.102 21 0 "[ . 1 . 2 . 3]" 2
54 1 9 ILE N 1 96 GLU O 3.300 2.800 3.300 3.265 3.100 3.318 0.018 24 0 "[ . 1 . 2 . 3]" 2
55 1 9 ILE O 1 98 ARG H 2.300 . 2.300 2.328 2.254 2.363 0.063 15 0 "[ . 1 . 2 . 3]" 2
56 1 9 ILE O 1 98 ARG N 3.300 2.800 3.300 3.184 2.793 3.279 0.007 8 0 "[ . 1 . 2 . 3]" 2
57 1 84 VAL O 1 89 GLN H 2.300 . 2.300 2.282 2.105 2.361 0.061 21 0 "[ . 1 . 2 . 3]" 2
58 1 84 VAL O 1 89 GLN N 3.300 2.800 3.300 3.223 2.984 3.330 0.030 21 0 "[ . 1 . 2 . 3]" 2
59 1 50 GLU O 1 59 PHE H 2.300 . 2.300 2.233 1.993 2.343 0.043 25 0 "[ . 1 . 2 . 3]" 2
60 1 50 GLU O 1 59 PHE N 3.300 2.800 3.300 3.146 2.965 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 48 LEU O 1 61 ASN H 2.300 . 2.300 2.355 2.234 2.424 0.124 9 0 "[ . 1 . 2 . 3]" 2
62 1 48 LEU O 1 61 ASN N 3.300 2.800 3.300 3.177 2.961 3.285 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 41 ALA O 1 81 GLU H 2.300 . 2.300 2.159 1.898 2.313 0.013 13 0 "[ . 1 . 2 . 3]" 2
64 1 41 ALA O 1 81 GLU N 3.300 2.800 3.300 3.066 2.801 3.256 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 50 GLU H 1 59 PHE O 2.300 . 2.300 2.341 2.315 2.369 0.069 8 0 "[ . 1 . 2 . 3]" 2
66 1 50 GLU N 1 59 PHE O 3.300 2.800 3.300 3.311 3.271 3.342 0.042 24 0 "[ . 1 . 2 . 3]" 2
67 1 5 ILE H 1 92 HIS O 2.300 . 2.300 2.164 1.975 2.339 0.039 21 0 "[ . 1 . 2 . 3]" 2
68 1 5 ILE N 1 92 HIS O 3.300 2.800 3.300 2.987 2.767 3.198 0.033 27 0 "[ . 1 . 2 . 3]" 2
69 1 3 SER O 1 92 HIS H 2.300 . 2.300 2.315 2.277 2.339 0.039 25 0 "[ . 1 . 2 . 3]" 2
70 1 3 SER O 1 92 HIS N 3.300 2.800 3.300 2.966 2.820 3.091 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 11 GLU H 1 98 ARG O 2.300 . 2.300 2.324 2.293 2.432 0.132 27 0 "[ . 1 . 2 . 3]" 2
72 1 11 GLU N 1 98 ARG O 3.300 2.800 3.300 3.207 3.118 3.290 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 37 LEU O 1 85 ASP H 2.300 . 2.300 2.419 2.376 2.531 0.231 13 0 "[ . 1 . 2 . 3]" 2
74 1 37 LEU O 1 85 ASP N 3.300 2.800 3.300 3.319 3.234 3.380 0.080 13 0 "[ . 1 . 2 . 3]" 2
75 1 76 CYS O 1 97 VAL H 2.300 . 2.300 2.344 2.303 2.368 0.068 30 0 "[ . 1 . 2 . 3]" 2
76 1 76 CYS O 1 97 VAL N 3.300 2.800 3.300 3.270 3.213 3.308 0.008 30 0 "[ . 1 . 2 . 3]" 2
77 1 86 ARG H 1 87 PRO O 2.300 . 2.300 2.432 2.162 2.508 0.208 3 0 "[ . 1 . 2 . 3]" 2
78 1 86 ARG N 1 87 PRO O 3.300 2.800 3.300 2.743 2.723 2.890 0.077 23 0 "[ . 1 . 2 . 3]" 2
79 1 8 SER H 1 19 VAL O 2.300 . 2.300 2.371 2.327 2.455 0.155 21 0 "[ . 1 . 2 . 3]" 2
80 1 8 SER N 1 19 VAL O 3.300 2.800 3.300 3.153 3.066 3.334 0.034 21 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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