NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395262 |
1rq8   |
5763 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rq8
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 983
_Distance_constraint_stats_list.Viol_count 403
_Distance_constraint_stats_list.Viol_total 552.281
_Distance_constraint_stats_list.Viol_max 0.512
_Distance_constraint_stats_list.Viol_rms 0.0375
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1370
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 LEU 7.102 0.437 9 0 "[ . 1]"
1 3 THR 6.132 0.437 9 0 "[ . 1]"
1 4 GLY 1.160 0.131 2 0 "[ . 1]"
1 5 LYS 0.040 0.035 1 0 "[ . 1]"
1 6 GLN 2.369 0.234 10 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 ARG 0.126 0.036 8 0 "[ . 1]"
1 9 TYR 0.126 0.036 8 0 "[ . 1]"
1 10 LEU 2.063 0.188 1 0 "[ . 1]"
1 11 ARG 0.003 0.003 3 0 "[ . 1]"
1 12 SER 0.000 0.000 . 0 "[ . 1]"
1 13 LEU 0.940 0.115 1 0 "[ . 1]"
1 14 ALA 1.735 0.197 2 0 "[ . 1]"
1 15 HIS 0.000 0.000 . 0 "[ . 1]"
1 16 ASN 0.001 0.001 7 0 "[ . 1]"
1 17 ILE 3.063 0.299 3 0 "[ . 1]"
1 18 ASP 1.865 0.299 3 0 "[ . 1]"
1 19 PRO 3.054 0.510 7 1 "[ . + 1]"
1 20 ILE 0.707 0.157 5 0 "[ . 1]"
1 21 PHE 2.511 0.322 1 0 "[ . 1]"
1 22 GLN 0.122 0.064 8 0 "[ . 1]"
1 23 ILE 1.089 0.155 3 0 "[ . 1]"
1 24 GLY 0.208 0.073 9 0 "[ . 1]"
1 25 LYS 0.149 0.038 7 0 "[ . 1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 GLY 1.685 0.179 6 0 "[ . 1]"
1 28 ILE 0.383 0.128 8 0 "[ . 1]"
1 29 ASN 1.368 0.179 6 0 "[ . 1]"
1 30 GLU 0.000 0.000 . 0 "[ . 1]"
1 31 ASN 0.000 0.000 . 0 "[ . 1]"
1 32 MET 0.007 0.007 5 0 "[ . 1]"
1 33 ILE 0.003 0.003 6 0 "[ . 1]"
1 34 LYS 0.079 0.030 4 0 "[ . 1]"
1 35 GLN 0.000 0.000 . 0 "[ . 1]"
1 36 ILE 2.564 0.322 1 0 "[ . 1]"
1 37 ASP 0.432 0.097 10 0 "[ . 1]"
1 38 ASP 0.000 0.000 . 0 "[ . 1]"
1 39 THR 0.542 0.097 10 0 "[ . 1]"
1 41 GLU 0.000 0.000 . 0 "[ . 1]"
1 42 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 4.233 0.233 7 0 "[ . 1]"
1 46 ILE 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 1.548 0.233 7 0 "[ . 1]"
1 48 VAL 3.310 0.510 7 1 "[ . + 1]"
1 49 HIS 0.505 0.169 3 0 "[ . 1]"
1 50 VAL 0.188 0.066 10 0 "[ . 1]"
1 51 LEU 0.515 0.214 5 0 "[ . 1]"
1 52 GLN 0.417 0.214 5 0 "[ . 1]"
1 53 ASN 0.000 0.000 . 0 "[ . 1]"
1 54 ASN 0.485 0.092 2 0 "[ . 1]"
1 55 PHE 0.000 0.000 . 0 "[ . 1]"
1 56 ASP 3.656 0.408 7 0 "[ . 1]"
1 57 ASP 4.066 0.408 7 0 "[ . 1]"
1 58 LYS 0.000 0.000 . 0 "[ . 1]"
1 59 LYS 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 61 LEU 0.167 0.047 1 0 "[ . 1]"
1 62 ALA 0.000 0.000 . 0 "[ . 1]"
1 63 GLU 4.276 0.438 10 0 "[ . 1]"
1 64 THR 4.277 0.438 10 0 "[ . 1]"
1 65 LEU 0.120 0.038 7 0 "[ . 1]"
1 66 SER 0.000 0.000 . 0 "[ . 1]"
1 67 GLU 0.109 0.045 10 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 THR 0.000 0.000 . 0 "[ . 1]"
1 70 ARG 0.208 0.045 10 0 "[ . 1]"
1 71 SER 1.002 0.165 8 0 "[ . 1]"
1 72 GLU 0.000 0.000 . 0 "[ . 1]"
1 73 LEU 4.735 0.512 8 2 "[ .- + 1]"
1 74 VAL 1.593 0.209 10 0 "[ . 1]"
1 75 GLN 3.962 0.447 7 0 "[ . 1]"
1 76 VAL 3.962 0.447 7 0 "[ . 1]"
1 77 ILE 0.694 0.131 8 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 SER 0.505 0.169 3 0 "[ . 1]"
1 80 MET 0.066 0.066 10 0 "[ . 1]"
1 81 ILE 0.716 0.131 8 0 "[ . 1]"
1 82 VAL 1.657 0.197 2 0 "[ . 1]"
1 83 ILE 1.954 0.179 3 0 "[ . 1]"
1 84 TYR 0.133 0.074 5 0 "[ . 1]"
1 85 ARG 1.329 0.179 3 0 "[ . 1]"
1 86 GLU 0.281 0.120 4 0 "[ . 1]"
1 87 SER 1.037 0.248 1 0 "[ . 1]"
1 88 LYS 3.104 0.258 8 0 "[ . 1]"
1 89 GLU 0.000 0.000 . 0 "[ . 1]"
1 90 ASN 3.804 0.258 8 0 "[ . 1]"
1 91 LYS 0.457 0.091 7 0 "[ . 1]"
1 92 GLU 0.000 0.000 . 0 "[ . 1]"
1 93 ILE 1.223 0.164 4 0 "[ . 1]"
1 94 GLU 0.000 0.000 . 0 "[ . 1]"
1 95 LEU 0.372 0.089 10 0 "[ . 1]"
1 96 PRO 0.160 0.089 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU H 1 2 LEU QB 1.800 . 5.180 2.338 2.206 2.451 . 0 0 "[ . 1]" 1
2 1 2 LEU HA 1 3 THR H 1.800 . 3.000 2.165 2.046 2.259 . 0 0 "[ . 1]" 1
3 1 2 LEU QB 1 3 THR H 1.800 . 6.300 3.503 3.375 3.664 . 0 0 "[ . 1]" 1
4 1 3 THR H 1 3 THR MG 1.800 . 4.000 2.991 2.789 3.265 . 0 0 "[ . 1]" 1
5 1 3 THR HA 1 4 GLY H 1.800 . 5.000 2.455 2.441 2.489 . 0 0 "[ . 1]" 1
6 1 3 THR HB 1 4 GLY H 1.800 . 4.000 4.116 4.096 4.131 0.131 2 0 "[ . 1]" 1
7 1 3 THR MG 1 4 GLY H 1.800 . 6.400 2.316 1.983 2.457 . 0 0 "[ . 1]" 1
8 1 3 THR MG 1 5 LYS H 1.800 . 6.400 2.035 1.795 2.511 0.005 9 0 "[ . 1]" 1
9 1 4 GLY QA 1 5 LYS H 1.800 . 6.300 2.629 2.462 2.765 . 0 0 "[ . 1]" 1
10 1 5 LYS H 1 5 LYS QD 1.800 . 6.300 4.116 3.945 4.357 . 0 0 "[ . 1]" 1
11 1 2 LEU MD2 1 6 GLN H 1.800 . 6.400 3.662 3.520 3.897 . 0 0 "[ . 1]" 1
12 1 2 LEU HG 1 6 GLN H 1.800 . 4.000 4.191 4.144 4.234 0.234 10 0 "[ . 1]" 1
13 1 3 THR H 1 6 GLN QB 1.800 . 6.300 1.872 1.605 2.025 0.195 9 0 "[ . 1]" 1
14 1 3 THR HB 1 6 GLN H 1.800 . 4.000 3.855 3.355 4.027 0.027 7 0 "[ . 1]" 1
15 1 3 THR MG 1 6 GLN H 1.800 . 6.400 1.973 1.893 2.469 . 0 0 "[ . 1]" 1
16 1 3 THR H 1 6 GLN H 1.800 . 5.000 3.314 2.816 3.549 . 0 0 "[ . 1]" 1
17 1 5 LYS H 1 6 GLN H 1.800 . 5.000 2.844 2.649 2.955 . 0 0 "[ . 1]" 1
18 1 6 GLN H 1 6 GLN QG 1.800 . 6.300 2.084 1.917 3.170 . 0 0 "[ . 1]" 1
19 1 6 GLN QB 1 7 LYS H 1.800 . 6.300 2.543 2.359 2.820 . 0 0 "[ . 1]" 1
20 1 6 GLN H 1 7 LYS H 1.800 . 4.000 2.574 2.503 2.704 . 0 0 "[ . 1]" 1
21 1 7 LYS H 1 7 LYS QG 1.800 . 5.180 3.895 3.817 3.965 . 0 0 "[ . 1]" 1
22 1 5 LYS HA 1 8 ARG H 1.800 . 5.000 3.495 3.397 3.642 . 0 0 "[ . 1]" 1
23 1 7 LYS H 1 8 ARG H 1.800 . 4.000 2.742 2.596 2.923 . 0 0 "[ . 1]" 1
24 1 8 ARG H 1 8 ARG HA 1.800 . 3.000 2.807 2.787 2.832 . 0 0 "[ . 1]" 1
25 1 6 GLN HA 1 9 TYR H 1.800 . 4.000 3.779 3.587 3.998 . 0 0 "[ . 1]" 1
26 1 8 ARG QB 1 9 TYR H 1.800 . 6.300 2.191 2.127 2.459 . 0 0 "[ . 1]" 1
27 1 8 ARG H 1 9 TYR H 1.800 . 3.000 2.987 2.911 3.036 0.036 8 0 "[ . 1]" 1
28 1 9 TYR H 1 9 TYR QD 1.800 . 6.300 2.476 1.942 3.000 . 0 0 "[ . 1]" 1
29 1 9 TYR QB 1 10 LEU H 1.800 . 6.300 2.240 2.168 2.416 . 0 0 "[ . 1]" 1
30 1 9 TYR QD 1 10 LEU H 1.800 . 6.300 4.177 4.066 4.350 . 0 0 "[ . 1]" 1
31 1 9 TYR H 1 10 LEU H 1.800 . 4.000 2.802 2.713 2.870 . 0 0 "[ . 1]" 1
32 1 10 LEU H 1 10 LEU QB 1.800 . 6.300 1.919 1.906 1.939 . 0 0 "[ . 1]" 1
33 1 10 LEU H 1 10 LEU MD1 1.800 . 5.200 3.861 3.716 3.997 . 0 0 "[ . 1]" 1
34 1 10 LEU H 1 10 LEU MD2 1.800 . 6.400 4.162 4.131 4.204 . 0 0 "[ . 1]" 1
35 1 10 LEU HA 1 11 ARG H 1.800 . 4.000 3.578 3.538 3.602 . 0 0 "[ . 1]" 1
36 1 10 LEU H 1 11 ARG H 1.800 . 5.000 2.736 2.677 2.850 . 0 0 "[ . 1]" 1
37 1 11 ARG HA 1 12 SER H 1.800 . 4.000 3.547 3.510 3.575 . 0 0 "[ . 1]" 1
38 1 11 ARG QB 1 12 SER H 1.800 . 4.060 2.871 2.540 3.544 . 0 0 "[ . 1]" 1
39 1 11 ARG H 1 12 SER H 1.800 . 4.000 2.809 2.738 2.868 . 0 0 "[ . 1]" 1
40 1 10 LEU HA 1 13 LEU H 1.800 . 5.000 3.051 2.945 3.267 . 0 0 "[ . 1]" 1
41 1 12 SER QB 1 13 LEU H 1.800 . 4.060 2.784 2.425 3.461 . 0 0 "[ . 1]" 1
42 1 13 LEU H 1 13 LEU QB 1.800 . 4.060 2.196 2.167 2.227 . 0 0 "[ . 1]" 1
43 1 13 LEU H 1 13 LEU MD2 1.800 . 5.200 2.007 1.886 2.136 . 0 0 "[ . 1]" 1
44 1 13 LEU H 1 13 LEU HG 1.800 . 3.000 3.068 3.041 3.115 0.115 1 0 "[ . 1]" 1
45 1 11 ARG HA 1 14 ALA H 1.800 . 5.000 3.979 3.386 4.095 . 0 0 "[ . 1]" 1
46 1 11 ARG QB 1 14 ALA H 1.800 . 6.300 5.444 4.932 5.561 . 0 0 "[ . 1]" 1
47 1 13 LEU QB 1 14 ALA H 1.800 . 6.300 2.355 2.294 2.473 . 0 0 "[ . 1]" 1
48 1 13 LEU H 1 14 ALA H 1.800 . 3.000 2.846 2.699 2.908 . 0 0 "[ . 1]" 1
49 1 14 ALA H 1 14 ALA MB 1.800 . 4.060 1.946 1.902 2.077 . 0 0 "[ . 1]" 1
50 1 14 ALA MB 1 15 HIS H 1.800 . 6.300 2.839 2.438 3.223 . 0 0 "[ . 1]" 1
51 1 13 LEU HA 1 16 ASN H 1.800 . 5.000 3.972 3.580 4.435 . 0 0 "[ . 1]" 1
52 1 14 ALA MB 1 16 ASN H 1.800 . 6.300 4.679 4.242 5.028 . 0 0 "[ . 1]" 1
53 1 15 HIS HA 1 16 ASN H 1.800 . 5.000 3.563 3.488 3.605 . 0 0 "[ . 1]" 1
54 1 15 HIS H 1 16 ASN H 1.800 . 5.000 2.803 2.696 2.993 . 0 0 "[ . 1]" 1
55 1 16 ASN H 1 16 ASN HA 1.800 . 3.000 2.954 2.894 3.001 0.001 7 0 "[ . 1]" 1
56 1 14 ALA HA 1 17 ILE H 1.800 . 5.000 3.313 2.885 3.538 . 0 0 "[ . 1]" 1
57 1 16 ASN QB 1 17 ILE H 1.800 . 6.300 3.279 2.864 4.000 . 0 0 "[ . 1]" 1
58 1 16 ASN H 1 17 ILE H 1.800 . 3.000 2.474 2.039 2.639 . 0 0 "[ . 1]" 1
59 1 17 ILE H 1 17 ILE HB 1.800 . 4.000 2.714 2.567 2.808 . 0 0 "[ . 1]" 1
60 1 17 ILE H 1 17 ILE MD 1.800 . 6.400 3.556 2.918 3.690 . 0 0 "[ . 1]" 1
61 1 17 ILE H 1 17 ILE QG 1.800 . 4.000 1.892 1.852 1.995 . 0 0 "[ . 1]" 1
62 1 17 ILE H 1 17 ILE MG 1.800 . 4.000 3.691 3.676 3.721 . 0 0 "[ . 1]" 1
63 1 17 ILE HA 1 18 ASP H 1.800 . 3.000 2.478 2.365 2.577 . 0 0 "[ . 1]" 1
64 1 17 ILE HB 1 18 ASP H 1.800 . 3.000 3.184 3.064 3.299 0.299 3 0 "[ . 1]" 1
65 1 17 ILE QG 1 18 ASP H 1.800 . 6.400 4.313 4.190 4.523 . 0 0 "[ . 1]" 1
66 1 17 ILE MG 1 18 ASP H 1.800 . 5.200 1.851 1.787 1.923 0.013 2 0 "[ . 1]" 1
67 1 17 ILE H 1 18 ASP H 1.800 . 5.000 4.554 4.537 4.587 . 0 0 "[ . 1]" 1
68 1 18 ASP H 1 19 PRO QD 1.800 . 6.300 4.402 4.375 4.428 . 0 0 "[ . 1]" 1
69 1 19 PRO QB 1 20 ILE H 1.800 . 6.300 3.409 3.010 3.827 . 0 0 "[ . 1]" 1
70 1 20 ILE H 1 20 ILE QG 1.800 . 5.200 3.412 2.959 4.024 . 0 0 "[ . 1]" 1
71 1 20 ILE H 1 20 ILE MG 1.800 . 5.200 2.714 1.897 3.898 . 0 0 "[ . 1]" 1
72 1 19 PRO QB 1 21 PHE H 1.800 . 6.300 3.622 3.201 4.750 . 0 0 "[ . 1]" 1
73 1 20 ILE HA 1 21 PHE H 1.800 . 5.000 3.504 3.386 3.630 . 0 0 "[ . 1]" 1
74 1 20 ILE QG 1 21 PHE H 1.800 . 6.400 3.559 2.583 4.153 . 0 0 "[ . 1]" 1
75 1 20 ILE H 1 21 PHE H 1.800 . 4.000 2.468 1.777 3.264 0.023 7 0 "[ . 1]" 1
76 1 21 PHE HA 1 22 GLN H 1.800 . 3.000 2.324 2.236 2.436 . 0 0 "[ . 1]" 1
77 1 21 PHE QB 1 22 GLN H 1.800 . 6.300 2.915 2.622 3.198 . 0 0 "[ . 1]" 1
78 1 21 PHE H 1 22 GLN H 1.800 . 5.000 4.458 4.382 4.552 . 0 0 "[ . 1]" 1
79 1 22 GLN H 1 22 GLN QG 1.800 . 6.300 3.332 1.948 4.079 . 0 0 "[ . 1]" 1
80 1 22 GLN HA 1 23 ILE H 1.800 . 3.000 2.212 2.159 2.261 . 0 0 "[ . 1]" 1
81 1 22 GLN QB 1 23 ILE H 1.800 . 5.180 3.448 2.897 3.840 . 0 0 "[ . 1]" 1
82 1 22 GLN QG 1 23 ILE H 1.800 . 6.300 3.415 2.027 4.125 . 0 0 "[ . 1]" 1
83 1 23 ILE H 1 23 ILE HB 1.800 . 4.000 2.013 1.947 2.065 . 0 0 "[ . 1]" 1
84 1 23 ILE H 1 23 ILE QG 1.800 . 5.200 3.197 2.942 3.542 . 0 0 "[ . 1]" 1
85 1 23 ILE H 1 23 ILE MG 1.800 . 5.200 3.370 3.166 3.493 . 0 0 "[ . 1]" 1
86 1 23 ILE HA 1 24 GLY H 1.800 . 3.000 2.296 2.274 2.320 . 0 0 "[ . 1]" 1
87 1 23 ILE HB 1 24 GLY H 1.800 . 5.000 4.382 4.339 4.416 . 0 0 "[ . 1]" 1
88 1 23 ILE MD 1 24 GLY H 1.800 . 6.400 3.451 2.368 4.684 . 0 0 "[ . 1]" 1
89 1 23 ILE QG 1 24 GLY H 1.800 . 6.400 3.812 3.073 4.318 . 0 0 "[ . 1]" 1
90 1 23 ILE MG 1 24 GLY H 1.800 . 4.000 2.734 2.468 2.858 . 0 0 "[ . 1]" 1
91 1 24 GLY QA 1 25 LYS H 1.800 . 5.180 2.308 2.255 2.357 . 0 0 "[ . 1]" 1
92 1 24 GLY H 1 25 LYS H 1.800 . 5.000 4.623 4.509 4.665 . 0 0 "[ . 1]" 1
93 1 25 LYS H 1 25 LYS QG 1.800 . 6.300 3.404 1.916 4.036 . 0 0 "[ . 1]" 1
94 1 25 LYS HA 1 26 GLY H 1.800 . 4.000 2.730 2.178 3.543 . 0 0 "[ . 1]" 1
95 1 25 LYS QB 1 26 GLY H 1.800 . 6.300 3.438 2.721 3.990 . 0 0 "[ . 1]" 1
96 1 24 GLY H 1 27 GLY H 1.800 . 5.000 4.801 4.214 5.073 0.073 9 0 "[ . 1]" 1
97 1 25 LYS HA 1 27 GLY H 1.800 . 4.000 3.966 3.770 4.038 0.038 7 0 "[ . 1]" 1
98 1 26 GLY H 1 27 GLY H 1.800 . 5.000 2.522 1.933 2.899 . 0 0 "[ . 1]" 1
99 1 27 GLY QA 1 28 ILE H 1.800 . 4.060 2.283 2.178 2.327 . 0 0 "[ . 1]" 1
100 1 27 GLY H 1 28 ILE H 1.800 . 5.000 4.281 4.174 4.391 . 0 0 "[ . 1]" 1
101 1 28 ILE H 1 28 ILE HB 1.800 . 3.000 2.299 2.156 2.422 . 0 0 "[ . 1]" 1
102 1 28 ILE H 1 28 ILE MD 1.800 . 5.200 3.367 2.588 3.807 . 0 0 "[ . 1]" 1
103 1 28 ILE H 1 28 ILE QG 1.800 . 5.200 2.317 1.902 2.710 . 0 0 "[ . 1]" 1
104 1 23 ILE QG 1 29 ASN H 1.800 . 6.400 3.798 2.213 5.198 . 0 0 "[ . 1]" 1
105 1 27 GLY H 1 29 ASN H 1.800 . 5.000 5.136 5.098 5.179 0.179 6 0 "[ . 1]" 1
106 1 28 ILE HA 1 29 ASN H 1.800 . 3.000 2.216 2.200 2.236 . 0 0 "[ . 1]" 1
107 1 28 ILE QG 1 29 ASN H 1.800 . 6.400 4.196 4.037 4.325 . 0 0 "[ . 1]" 1
108 1 28 ILE MG 1 29 ASN H 1.800 . 4.000 3.027 2.874 3.114 . 0 0 "[ . 1]" 1
109 1 28 ILE H 1 29 ASN H 1.800 . 5.000 4.450 4.346 4.484 . 0 0 "[ . 1]" 1
110 1 29 ASN HA 1 30 GLU H 1.800 . 4.000 2.296 2.247 2.387 . 0 0 "[ . 1]" 1
111 1 29 ASN QB 1 30 GLU H 1.800 . 5.180 3.362 3.014 3.573 . 0 0 "[ . 1]" 1
112 1 30 GLU H 1 30 GLU QG 1.800 . 6.300 3.950 3.937 3.979 . 0 0 "[ . 1]" 1
113 1 29 ASN QB 1 31 ASN H 1.800 . 6.300 2.785 2.450 3.236 . 0 0 "[ . 1]" 1
114 1 30 GLU HA 1 31 ASN H 1.800 . 5.000 3.558 3.510 3.593 . 0 0 "[ . 1]" 1
115 1 30 GLU QB 1 31 ASN H 1.800 . 4.060 2.651 2.433 2.865 . 0 0 "[ . 1]" 1
116 1 30 GLU QG 1 31 ASN H 1.800 . 6.300 3.612 3.343 4.046 . 0 0 "[ . 1]" 1
117 1 30 GLU H 1 31 ASN H 1.800 . 5.000 2.787 2.713 2.863 . 0 0 "[ . 1]" 1
118 1 31 ASN H 1 31 ASN HA 1.800 . 3.000 2.817 2.810 2.836 . 0 0 "[ . 1]" 1
119 1 31 ASN H 1 31 ASN HD22 1.800 . 5.000 4.169 3.323 4.953 . 0 0 "[ . 1]" 1
120 1 29 ASN H 1 32 MET QB 1.800 . 5.180 2.897 2.356 3.226 . 0 0 "[ . 1]" 1
121 1 29 ASN H 1 32 MET QG 1.800 . 6.300 4.106 3.100 4.719 . 0 0 "[ . 1]" 1
122 1 29 ASN QB 1 32 MET H 1.800 . 6.300 2.662 2.208 2.990 . 0 0 "[ . 1]" 1
123 1 29 ASN H 1 32 MET H 1.800 . 5.000 4.008 3.655 4.207 . 0 0 "[ . 1]" 1
124 1 31 ASN HA 1 32 MET H 1.800 . 5.000 3.550 3.531 3.571 . 0 0 "[ . 1]" 1
125 1 31 ASN QB 1 32 MET H 1.800 . 4.060 2.586 2.278 3.335 . 0 0 "[ . 1]" 1
126 1 31 ASN H 1 32 MET H 1.800 . 3.000 2.791 2.749 2.848 . 0 0 "[ . 1]" 1
127 1 32 MET H 1 32 MET QG 1.800 . 6.300 3.480 2.147 3.943 . 0 0 "[ . 1]" 1
128 1 29 ASN H 1 33 ILE QG 1.800 . 6.400 4.243 3.844 4.483 . 0 0 "[ . 1]" 1
129 1 29 ASN H 1 33 ILE H 1.800 . 5.000 4.717 4.500 5.003 0.003 6 0 "[ . 1]" 1
130 1 30 GLU HA 1 33 ILE H 1.800 . 5.000 2.911 2.737 3.032 . 0 0 "[ . 1]" 1
131 1 31 ASN H 1 33 ILE H 1.800 . 5.000 4.081 3.890 4.275 . 0 0 "[ . 1]" 1
132 1 32 MET HA 1 33 ILE H 1.800 . 5.000 3.578 3.550 3.608 . 0 0 "[ . 1]" 1
133 1 32 MET QB 1 33 ILE H 1.800 . 6.300 2.626 2.296 2.843 . 0 0 "[ . 1]" 1
134 1 32 MET H 1 33 ILE H 1.800 . 3.000 2.554 2.457 2.638 . 0 0 "[ . 1]" 1
135 1 33 ILE H 1 33 ILE HB 1.800 . 3.000 2.453 2.375 2.629 . 0 0 "[ . 1]" 1
136 1 33 ILE H 1 33 ILE QG 1.800 . 5.200 2.076 1.919 2.265 . 0 0 "[ . 1]" 1
137 1 33 ILE H 1 33 ILE MG 1.800 . 5.200 3.739 3.716 3.768 . 0 0 "[ . 1]" 1
138 1 31 ASN HA 1 34 LYS H 1.800 . 5.000 3.461 3.164 3.729 . 0 0 "[ . 1]" 1
139 1 31 ASN H 1 34 LYS H 1.800 . 5.000 4.504 4.415 4.585 . 0 0 "[ . 1]" 1
140 1 32 MET H 1 34 LYS H 1.800 . 5.000 3.848 3.730 4.001 . 0 0 "[ . 1]" 1
141 1 33 ILE MG 1 34 LYS H 1.800 . 5.200 3.650 3.539 3.811 . 0 0 "[ . 1]" 1
142 1 33 ILE H 1 34 LYS H 1.800 . 3.000 2.559 2.450 2.737 . 0 0 "[ . 1]" 1
143 1 34 LYS H 1 34 LYS HA 1.800 . 3.000 2.833 2.817 2.855 . 0 0 "[ . 1]" 1
144 1 34 LYS H 1 34 LYS QG 1.800 . 5.180 2.476 2.140 2.683 . 0 0 "[ . 1]" 1
145 1 32 MET HA 1 35 GLN H 1.800 . 4.000 3.622 3.432 3.849 . 0 0 "[ . 1]" 1
146 1 34 LYS QB 1 35 GLN H 1.800 . 4.060 2.404 2.147 2.557 . 0 0 "[ . 1]" 1
147 1 34 LYS QG 1 35 GLN H 1.800 . 6.300 4.064 3.847 4.154 . 0 0 "[ . 1]" 1
148 1 34 LYS H 1 35 GLN H 1.800 . 4.000 2.722 2.625 2.816 . 0 0 "[ . 1]" 1
149 1 35 GLN H 1 35 GLN QG 1.800 . 5.180 3.634 3.036 3.937 . 0 0 "[ . 1]" 1
150 1 32 MET QG 1 36 ILE H 1.800 . 6.300 5.250 4.452 5.782 . 0 0 "[ . 1]" 1
151 1 34 LYS HA 1 36 ILE H 1.800 . 5.000 4.967 4.912 5.030 0.030 4 0 "[ . 1]" 1
152 1 35 GLN QB 1 36 ILE H 1.800 . 5.180 2.323 2.168 2.494 . 0 0 "[ . 1]" 1
153 1 35 GLN H 1 36 ILE H 1.800 . 4.000 2.645 2.577 2.709 . 0 0 "[ . 1]" 1
154 1 36 ILE H 1 36 ILE HB 1.800 . 4.000 2.423 2.358 2.464 . 0 0 "[ . 1]" 1
155 1 36 ILE H 1 36 ILE MD 1.800 . 6.400 3.182 2.960 3.444 . 0 0 "[ . 1]" 1
156 1 36 ILE H 1 36 ILE QG 1.800 . 6.400 1.955 1.917 2.054 . 0 0 "[ . 1]" 1
157 1 36 ILE H 1 36 ILE MG 1.800 . 6.400 3.714 3.703 3.720 . 0 0 "[ . 1]" 1
158 1 36 ILE HB 1 37 ASP H 1.800 . 5.000 2.581 2.376 2.823 . 0 0 "[ . 1]" 1
159 1 36 ILE H 1 37 ASP H 1.800 . 5.000 2.732 2.667 2.790 . 0 0 "[ . 1]" 1
160 1 37 ASP HA 1 38 ASP H 1.800 . 5.000 3.593 3.583 3.602 . 0 0 "[ . 1]" 1
161 1 37 ASP QB 1 38 ASP H 1.800 . 5.180 2.226 2.079 2.332 . 0 0 "[ . 1]" 1
162 1 37 ASP H 1 38 ASP H 1.800 . 5.000 2.950 2.868 3.036 . 0 0 "[ . 1]" 1
163 1 36 ILE HA 1 39 THR H 1.800 . 5.000 3.487 3.371 3.724 . 0 0 "[ . 1]" 1
164 1 37 ASP H 1 39 THR H 1.800 . 4.000 4.032 3.939 4.097 0.097 10 0 "[ . 1]" 1
165 1 38 ASP QB 1 39 THR H 1.800 . 6.300 2.615 2.466 2.795 . 0 0 "[ . 1]" 1
166 1 39 THR H 1 39 THR HB 1.800 . 4.000 2.672 2.403 3.268 . 0 0 "[ . 1]" 1
167 1 39 THR H 1 39 THR MG 1.800 . 6.400 3.599 3.314 3.731 . 0 0 "[ . 1]" 1
168 1 41 GLU H 1 42 ASN H 1.800 . 4.000 2.595 2.231 2.768 . 0 0 "[ . 1]" 1
169 1 46 ILE HA 1 47 LYS H 1.800 . 3.000 2.160 2.113 2.227 . 0 0 "[ . 1]" 1
170 1 20 ILE H 1 48 VAL HA 1.800 . 4.000 3.894 3.455 4.105 0.105 10 0 "[ . 1]" 1
171 1 21 PHE H 1 48 VAL HA 1.800 . 4.000 3.348 2.746 3.828 . 0 0 "[ . 1]" 1
172 1 21 PHE H 1 48 VAL MG1 1.800 . 5.200 3.880 3.634 4.119 . 0 0 "[ . 1]" 1
173 1 47 LYS HA 1 48 VAL H 1.800 . 3.000 2.337 2.303 2.394 . 0 0 "[ . 1]" 1
174 1 48 VAL H 1 48 VAL MG1 1.800 . 4.000 3.710 3.662 3.744 . 0 0 "[ . 1]" 1
175 1 19 PRO QB 1 49 HIS H 1.800 . 5.180 2.841 2.478 3.445 . 0 0 "[ . 1]" 1
176 1 21 PHE H 1 49 HIS H 1.800 . 5.000 4.164 3.606 4.810 . 0 0 "[ . 1]" 1
177 1 22 GLN HA 1 49 HIS H 1.800 . 4.000 2.905 2.497 3.408 . 0 0 "[ . 1]" 1
178 1 48 VAL MG1 1 49 HIS H 1.800 . 5.200 2.483 2.062 2.991 . 0 0 "[ . 1]" 1
179 1 23 ILE H 1 50 VAL HA 1.800 . 4.000 2.809 2.478 3.224 . 0 0 "[ . 1]" 1
180 1 49 HIS HA 1 50 VAL H 1.800 . 3.000 2.234 2.194 2.265 . 0 0 "[ . 1]" 1
181 1 50 VAL H 1 50 VAL HB 1.800 . 4.000 2.396 2.276 2.858 . 0 0 "[ . 1]" 1
182 1 50 VAL H 1 50 VAL MG2 1.800 . 4.000 2.753 2.392 3.664 . 0 0 "[ . 1]" 1
183 1 23 ILE QG 1 51 LEU H 1.800 . 5.200 4.538 4.232 4.758 . 0 0 "[ . 1]" 1
184 1 23 ILE MG 1 51 LEU H 1.800 . 5.200 1.792 1.721 1.857 0.079 1 0 "[ . 1]" 1
185 1 23 ILE H 1 51 LEU H 1.800 . 5.000 3.728 3.415 4.002 . 0 0 "[ . 1]" 1
186 1 25 LYS H 1 51 LEU MD2 1.800 . 6.400 4.575 4.240 5.194 . 0 0 "[ . 1]" 1
187 1 50 VAL HA 1 51 LEU H 1.800 . 3.000 2.150 2.121 2.211 . 0 0 "[ . 1]" 1
188 1 50 VAL HB 1 51 LEU H 1.800 . 5.000 4.229 4.066 4.392 . 0 0 "[ . 1]" 1
189 1 50 VAL H 1 51 LEU H 1.800 . 5.000 4.485 4.428 4.577 . 0 0 "[ . 1]" 1
190 1 51 LEU H 1 51 LEU QB 1.800 . 6.300 1.940 1.913 1.995 . 0 0 "[ . 1]" 1
191 1 25 LYS HA 1 52 GLN H 1.800 . 5.000 4.488 4.070 5.038 0.038 4 0 "[ . 1]" 1
192 1 25 LYS QB 1 52 GLN H 1.800 . 6.300 5.466 5.401 5.564 . 0 0 "[ . 1]" 1
193 1 25 LYS QG 1 52 GLN H 1.800 . 6.300 5.159 4.717 5.516 . 0 0 "[ . 1]" 1
194 1 50 VAL MG1 1 52 GLN H 1.800 . 6.400 2.111 1.803 3.202 . 0 0 "[ . 1]" 1
195 1 51 LEU HA 1 52 GLN H 1.800 . 3.000 2.960 2.617 3.214 0.214 5 0 "[ . 1]" 1
196 1 51 LEU QB 1 52 GLN H 1.800 . 5.180 3.738 3.468 3.905 . 0 0 "[ . 1]" 1
197 1 52 GLN H 1 52 GLN QG 1.800 . 6.300 3.887 3.437 4.092 . 0 0 "[ . 1]" 1
198 1 52 GLN HA 1 53 ASN H 1.800 . 5.000 3.478 3.383 3.536 . 0 0 "[ . 1]" 1
199 1 52 GLN H 1 53 ASN H 1.800 . 5.000 2.367 2.145 2.695 . 0 0 "[ . 1]" 1
200 1 54 ASN HA 1 55 PHE H 1.800 . 3.000 2.351 2.256 2.422 . 0 0 "[ . 1]" 1
201 1 54 ASN QB 1 55 PHE H 1.800 . 6.300 3.213 2.909 3.553 . 0 0 "[ . 1]" 1
202 1 54 ASN H 1 55 PHE H 1.800 . 5.000 4.585 4.499 4.694 . 0 0 "[ . 1]" 1
203 1 55 PHE H 1 55 PHE QD 1.800 . 6.300 3.141 2.188 3.819 . 0 0 "[ . 1]" 1
204 1 54 ASN HD22 1 56 ASP H 1.800 . 5.000 4.751 4.263 5.026 0.026 10 0 "[ . 1]" 1
205 1 55 PHE QB 1 56 ASP H 1.800 . 6.300 2.158 1.934 2.368 . 0 0 "[ . 1]" 1
206 1 55 PHE H 1 56 ASP H 1.800 . 5.000 2.825 2.635 3.211 . 0 0 "[ . 1]" 1
207 1 56 ASP H 1 56 ASP HA 1.800 . 3.000 2.860 2.795 2.913 . 0 0 "[ . 1]" 1
208 1 56 ASP HA 1 57 ASP H 1.800 . 3.000 3.362 3.287 3.408 0.408 7 0 "[ . 1]" 1
209 1 56 ASP QB 1 57 ASP H 1.800 . 4.060 3.128 2.827 3.684 . 0 0 "[ . 1]" 1
210 1 56 ASP H 1 57 ASP H 1.800 . 5.000 2.647 2.487 2.742 . 0 0 "[ . 1]" 1
211 1 56 ASP HA 1 58 LYS H 1.800 . 5.000 4.489 4.110 4.730 . 0 0 "[ . 1]" 1
212 1 56 ASP QB 1 58 LYS H 1.800 . 6.300 5.053 4.753 5.374 . 0 0 "[ . 1]" 1
213 1 56 ASP HA 1 59 LYS H 1.800 . 5.000 3.618 3.515 3.752 . 0 0 "[ . 1]" 1
214 1 58 LYS QG 1 59 LYS H 1.800 . 5.180 4.110 3.517 4.424 . 0 0 "[ . 1]" 1
215 1 58 LYS H 1 59 LYS H 1.800 . 5.000 2.681 2.598 2.768 . 0 0 "[ . 1]" 1
216 1 59 LYS H 1 59 LYS HA 1.800 . 3.000 2.870 2.839 2.899 . 0 0 "[ . 1]" 1
217 1 59 LYS HA 1 60 GLU H 1.800 . 5.000 3.585 3.562 3.600 . 0 0 "[ . 1]" 1
218 1 59 LYS QG 1 60 GLU H 1.800 . 6.300 3.701 3.424 4.137 . 0 0 "[ . 1]" 1
219 1 59 LYS H 1 60 GLU H 1.800 . 3.000 2.705 2.608 2.851 . 0 0 "[ . 1]" 1
220 1 60 GLU H 1 60 GLU QG 1.800 . 6.300 3.671 3.279 3.930 . 0 0 "[ . 1]" 1
221 1 27 GLY H 1 61 LEU MD2 1.800 . 5.200 4.214 4.156 4.262 . 0 0 "[ . 1]" 1
222 1 28 ILE MD 1 61 LEU H 1.800 . 5.200 4.184 4.119 4.250 . 0 0 "[ . 1]" 1
223 1 58 LYS HA 1 61 LEU H 1.800 . 5.000 3.503 3.415 3.570 . 0 0 "[ . 1]" 1
224 1 60 GLU QB 1 61 LEU H 1.800 . 4.060 2.535 2.406 2.652 . 0 0 "[ . 1]" 1
225 1 60 GLU H 1 61 LEU H 1.800 . 4.000 2.772 2.678 2.862 . 0 0 "[ . 1]" 1
226 1 61 LEU H 1 61 LEU QB 1.800 . 5.180 2.033 1.980 2.074 . 0 0 "[ . 1]" 1
227 1 61 LEU H 1 61 LEU HG 1.800 . 4.000 3.639 3.427 3.851 . 0 0 "[ . 1]" 1
228 1 28 ILE MD 1 62 ALA H 1.800 . 5.200 3.768 3.671 3.857 . 0 0 "[ . 1]" 1
229 1 59 LYS HA 1 62 ALA H 1.800 . 4.000 3.416 3.318 3.594 . 0 0 "[ . 1]" 1
230 1 61 LEU QB 1 62 ALA H 1.800 . 5.180 2.597 2.471 2.767 . 0 0 "[ . 1]" 1
231 1 61 LEU H 1 62 ALA H 1.800 . 3.000 2.803 2.700 2.889 . 0 0 "[ . 1]" 1
232 1 62 ALA H 1 62 ALA MB 1.800 . 4.060 2.049 1.939 2.163 . 0 0 "[ . 1]" 1
233 1 28 ILE MD 1 63 GLU H 1.800 . 6.400 4.431 4.166 4.688 . 0 0 "[ . 1]" 1
234 1 62 ALA H 1 63 GLU QB 1.800 . 6.300 4.273 4.172 4.401 . 0 0 "[ . 1]" 1
235 1 62 ALA HA 1 63 GLU H 1.800 . 5.000 3.535 3.509 3.576 . 0 0 "[ . 1]" 1
236 1 63 GLU H 1 63 GLU HA 1.800 . 3.000 2.826 2.795 2.850 . 0 0 "[ . 1]" 1
237 1 63 GLU H 1 63 GLU QG 1.800 . 5.180 3.704 3.339 3.872 . 0 0 "[ . 1]" 1
238 1 28 ILE MD 1 64 THR H 1.800 . 6.400 3.249 3.028 3.458 . 0 0 "[ . 1]" 1
239 1 62 ALA MB 1 64 THR H 1.800 . 6.300 4.347 4.213 4.534 . 0 0 "[ . 1]" 1
240 1 63 GLU HA 1 64 THR H 1.800 . 3.000 3.428 3.419 3.438 0.438 10 0 "[ . 1]" 1
241 1 63 GLU QB 1 64 THR H 1.800 . 4.060 2.574 2.368 2.764 . 0 0 "[ . 1]" 1
242 1 63 GLU QG 1 64 THR H 1.800 . 6.300 4.323 4.186 4.441 . 0 0 "[ . 1]" 1
243 1 64 THR H 1 64 THR HA 1.800 . 3.000 2.949 2.941 2.961 . 0 0 "[ . 1]" 1
244 1 64 THR H 1 64 THR MG 1.800 . 5.200 3.729 3.702 3.744 . 0 0 "[ . 1]" 1
245 1 64 THR HA 1 65 LEU H 1.800 . 4.000 3.563 3.552 3.600 . 0 0 "[ . 1]" 1
246 1 64 THR HB 1 65 LEU H 1.800 . 5.000 2.556 2.290 2.680 . 0 0 "[ . 1]" 1
247 1 64 THR MG 1 65 LEU H 1.800 . 6.400 3.508 3.030 3.658 . 0 0 "[ . 1]" 1
248 1 64 THR H 1 65 LEU H 1.800 . 4.000 2.373 2.303 2.525 . 0 0 "[ . 1]" 1
249 1 62 ALA MB 1 66 SER H 1.800 . 4.060 3.457 3.401 3.500 . 0 0 "[ . 1]" 1
250 1 63 GLU QB 1 66 SER H 1.800 . 6.300 5.326 5.254 5.387 . 0 0 "[ . 1]" 1
251 1 65 LEU H 1 66 SER H 1.800 . 4.000 2.678 2.586 2.846 . 0 0 "[ . 1]" 1
252 1 66 SER H 1 66 SER HA 1.800 . 3.000 2.829 2.815 2.848 . 0 0 "[ . 1]" 1
253 1 64 THR HA 1 67 GLU H 1.800 . 4.000 3.903 3.760 4.002 0.002 10 0 "[ . 1]" 1
254 1 65 LEU QB 1 67 GLU H 1.800 . 6.300 4.572 4.443 4.658 . 0 0 "[ . 1]" 1
255 1 66 SER QB 1 67 GLU H 1.800 . 6.300 2.656 2.299 3.339 . 0 0 "[ . 1]" 1
256 1 66 SER H 1 67 GLU H 1.800 . 3.000 2.852 2.809 2.909 . 0 0 "[ . 1]" 1
257 1 67 GLU H 1 67 GLU HA 1.800 . 3.000 2.884 2.856 2.915 . 0 0 "[ . 1]" 1
258 1 67 GLU H 1 67 GLU QG 1.800 . 5.180 2.292 1.981 2.610 . 0 0 "[ . 1]" 1
259 1 67 GLU QB 1 68 ALA H 1.800 . 4.060 2.645 2.590 2.727 . 0 0 "[ . 1]" 1
260 1 67 GLU H 1 68 ALA H 1.800 . 4.000 2.621 2.506 2.710 . 0 0 "[ . 1]" 1
261 1 68 ALA H 1 68 ALA HA 1.800 . 3.000 2.942 2.913 2.963 . 0 0 "[ . 1]" 1
262 1 68 ALA H 1 68 ALA MB 1.800 . 4.060 2.139 2.077 2.194 . 0 0 "[ . 1]" 1
263 1 66 SER HA 1 69 THR H 1.800 . 4.000 3.536 3.423 3.673 . 0 0 "[ . 1]" 1
264 1 68 ALA MB 1 69 THR H 1.800 . 5.180 2.781 2.274 3.083 . 0 0 "[ . 1]" 1
265 1 68 ALA H 1 69 THR H 1.800 . 4.000 2.426 2.329 2.514 . 0 0 "[ . 1]" 1
266 1 69 THR H 1 69 THR MG 1.800 . 5.200 2.420 2.020 2.733 . 0 0 "[ . 1]" 1
267 1 67 GLU HA 1 70 ARG H 1.800 . 4.000 3.950 3.641 4.045 0.045 10 0 "[ . 1]" 1
268 1 68 ALA H 1 70 ARG H 1.800 . 5.000 3.985 3.623 4.196 . 0 0 "[ . 1]" 1
269 1 69 THR H 1 70 ARG H 1.800 . 3.000 2.544 2.397 2.704 . 0 0 "[ . 1]" 1
270 1 70 ARG H 1 70 ARG HA 1.800 . 3.000 2.366 2.360 2.376 . 0 0 "[ . 1]" 1
271 1 70 ARG H 1 70 ARG QG 1.800 . 6.300 3.499 2.766 4.135 . 0 0 "[ . 1]" 1
272 1 69 THR HA 1 71 SER H 1.800 . 5.000 4.511 4.321 4.835 . 0 0 "[ . 1]" 1
273 1 69 THR H 1 71 SER H 1.800 . 5.000 3.825 3.537 4.415 . 0 0 "[ . 1]" 1
274 1 70 ARG HA 1 71 SER H 1.800 . 3.000 2.958 2.809 3.042 0.042 8 0 "[ . 1]" 1
275 1 70 ARG QB 1 71 SER H 1.800 . 6.300 3.745 3.678 3.883 . 0 0 "[ . 1]" 1
276 1 70 ARG QG 1 71 SER H 1.800 . 6.300 4.480 4.256 4.600 . 0 0 "[ . 1]" 1
277 1 70 ARG H 1 71 SER H 1.800 . 4.000 2.747 2.683 2.857 . 0 0 "[ . 1]" 1
278 1 71 SER HA 1 72 GLU H 1.800 . 4.000 2.695 2.400 2.825 . 0 0 "[ . 1]" 1
279 1 71 SER QB 1 72 GLU H 1.800 . 6.300 2.342 1.925 3.061 . 0 0 "[ . 1]" 1
280 1 72 GLU H 1 72 GLU QG 1.800 . 6.300 3.576 2.665 4.226 . 0 0 "[ . 1]" 1
281 1 72 GLU HA 1 73 LEU H 1.800 . 3.000 2.229 2.201 2.283 . 0 0 "[ . 1]" 1
282 1 72 GLU QB 1 73 LEU H 1.800 . 5.180 3.608 3.360 3.852 . 0 0 "[ . 1]" 1
283 1 73 LEU H 1 73 LEU QB 1.800 . 4.060 1.874 1.866 1.904 . 0 0 "[ . 1]" 1
284 1 73 LEU H 1 73 LEU MD2 1.800 . 5.200 3.967 3.955 3.976 . 0 0 "[ . 1]" 1
285 1 73 LEU H 1 73 LEU HG 1.800 . 3.000 3.474 3.435 3.512 0.512 8 2 "[ .- + 1]" 1
286 1 11 ARG H 1 74 VAL MG2 1.800 . 5.200 3.232 3.066 3.449 . 0 0 "[ . 1]" 1
287 1 73 LEU HA 1 74 VAL H 1.800 . 4.000 2.309 2.135 2.354 . 0 0 "[ . 1]" 1
288 1 73 LEU QB 1 74 VAL H 1.800 . 6.300 3.804 3.485 3.862 . 0 0 "[ . 1]" 1
289 1 74 VAL H 1 74 VAL HB 1.800 . 4.000 3.453 2.096 3.612 . 0 0 "[ . 1]" 1
290 1 74 VAL H 1 74 VAL MG1 1.800 . 4.000 2.403 2.091 3.247 . 0 0 "[ . 1]" 1
291 1 73 LEU MD2 1 75 GLN H 1.800 . 4.000 1.946 1.862 2.186 . 0 0 "[ . 1]" 1
292 1 74 VAL H 1 75 GLN H 1.800 . 4.000 2.318 1.976 2.437 . 0 0 "[ . 1]" 1
293 1 75 GLN HA 1 76 VAL H 1.800 . 3.000 2.421 2.321 2.545 . 0 0 "[ . 1]" 1
294 1 75 GLN H 1 76 VAL H 1.800 . 5.000 4.371 4.328 4.390 . 0 0 "[ . 1]" 1
295 1 76 VAL H 1 76 VAL HB 1.800 . 3.000 2.191 2.157 2.226 . 0 0 "[ . 1]" 1
296 1 76 VAL H 1 76 VAL MG1 1.800 . 5.200 3.344 3.156 3.468 . 0 0 "[ . 1]" 1
297 1 76 VAL HA 1 77 ILE H 1.800 . 3.000 2.266 2.238 2.310 . 0 0 "[ . 1]" 1
298 1 77 ILE H 1 77 ILE MG 1.800 . 4.000 3.454 2.487 3.630 . 0 0 "[ . 1]" 1
299 1 77 ILE HA 1 78 GLY H 1.800 . 4.000 2.282 2.173 2.385 . 0 0 "[ . 1]" 1
300 1 77 ILE HB 1 78 GLY H 1.800 . 5.000 4.450 3.604 4.634 . 0 0 "[ . 1]" 1
301 1 77 ILE QG 1 78 GLY H 1.800 . 6.400 4.328 3.500 4.799 . 0 0 "[ . 1]" 1
302 1 77 ILE MG 1 78 GLY H 1.800 . 6.400 3.405 2.327 4.203 . 0 0 "[ . 1]" 1
303 1 77 ILE H 1 78 GLY H 1.800 . 5.000 4.253 4.074 4.648 . 0 0 "[ . 1]" 1
304 1 50 VAL H 1 79 SER HA 1.800 . 5.000 4.004 3.707 4.368 . 0 0 "[ . 1]" 1
305 1 78 GLY QA 1 79 SER H 1.800 . 5.180 2.175 2.140 2.292 . 0 0 "[ . 1]" 1
306 1 50 VAL H 1 80 MET QG 1.800 . 6.300 4.054 3.560 4.434 . 0 0 "[ . 1]" 1
307 1 50 VAL H 1 80 MET H 1.800 . 5.000 4.756 4.536 5.066 0.066 10 0 "[ . 1]" 1
308 1 76 VAL MG1 1 80 MET H 1.800 . 5.200 3.906 3.268 4.145 . 0 0 "[ . 1]" 1
309 1 77 ILE H 1 80 MET H 1.800 . 5.000 3.656 3.212 3.986 . 0 0 "[ . 1]" 1
310 1 78 GLY H 1 80 MET H 1.800 . 5.000 4.170 3.888 4.282 . 0 0 "[ . 1]" 1
311 1 79 SER HA 1 80 MET H 1.800 . 4.000 3.215 3.112 3.342 . 0 0 "[ . 1]" 1
312 1 79 SER H 1 80 MET H 1.800 . 5.000 2.697 2.545 2.768 . 0 0 "[ . 1]" 1
313 1 80 MET H 1 80 MET QG 1.800 . 4.060 3.192 2.605 3.540 . 0 0 "[ . 1]" 1
314 1 48 VAL H 1 81 ILE HB 1.800 . 5.000 3.001 2.652 3.308 . 0 0 "[ . 1]" 1
315 1 48 VAL H 1 81 ILE QG 1.800 . 6.400 4.402 4.085 4.777 . 0 0 "[ . 1]" 1
316 1 48 VAL HB 1 81 ILE H 1.800 . 5.000 2.951 2.741 3.086 . 0 0 "[ . 1]" 1
317 1 48 VAL H 1 81 ILE H 1.800 . 5.000 2.465 1.943 2.826 . 0 0 "[ . 1]" 1
318 1 62 ALA H 1 81 ILE MD 1.800 . 6.400 3.248 2.892 3.819 . 0 0 "[ . 1]" 1
319 1 77 ILE H 1 81 ILE HA 1.800 . 3.000 3.047 2.905 3.131 0.131 8 0 "[ . 1]" 1
320 1 80 MET HA 1 81 ILE H 1.800 . 3.000 2.309 2.259 2.378 . 0 0 "[ . 1]" 1
321 1 81 ILE H 1 81 ILE HB 1.800 . 3.000 2.440 2.388 2.494 . 0 0 "[ . 1]" 1
322 1 81 ILE H 1 81 ILE MD 1.800 . 5.200 3.667 3.310 3.887 . 0 0 "[ . 1]" 1
323 1 14 ALA H 1 82 VAL MG1 1.800 . 5.200 3.288 3.083 3.560 . 0 0 "[ . 1]" 1
324 1 48 VAL H 1 82 VAL HA 1.800 . 5.000 3.882 3.675 4.119 . 0 0 "[ . 1]" 1
325 1 74 VAL H 1 82 VAL MG1 1.800 . 6.400 3.541 3.368 3.702 . 0 0 "[ . 1]" 1
326 1 75 GLN H 1 82 VAL H 1.800 . 4.000 3.540 3.404 3.743 . 0 0 "[ . 1]" 1
327 1 81 ILE HA 1 82 VAL H 1.800 . 3.000 2.213 2.176 2.244 . 0 0 "[ . 1]" 1
328 1 82 VAL H 1 82 VAL HB 1.800 . 4.000 2.492 2.317 2.585 . 0 0 "[ . 1]" 1
329 1 82 VAL H 1 82 VAL MG2 1.800 . 4.000 2.254 2.161 2.373 . 0 0 "[ . 1]" 1
330 1 47 LYS HA 1 83 ILE H 1.800 . 5.000 3.594 3.234 4.003 . 0 0 "[ . 1]" 1
331 1 48 VAL MG2 1 83 ILE H 1.800 . 5.200 4.168 4.045 4.271 . 0 0 "[ . 1]" 1
332 1 48 VAL H 1 83 ILE H 1.800 . 5.000 4.547 4.226 4.969 . 0 0 "[ . 1]" 1
333 1 71 SER H 1 83 ILE MG 1.800 . 6.400 3.756 3.579 3.892 . 0 0 "[ . 1]" 1
334 1 72 GLU H 1 83 ILE MG 1.800 . 6.400 2.547 2.361 3.148 . 0 0 "[ . 1]" 1
335 1 74 VAL H 1 83 ILE HA 1.800 . 5.000 2.269 1.875 2.513 . 0 0 "[ . 1]" 1
336 1 81 ILE H 1 83 ILE MD 1.800 . 6.400 5.182 5.110 5.241 . 0 0 "[ . 1]" 1
337 1 82 VAL HA 1 83 ILE H 1.800 . 4.000 2.249 2.228 2.268 . 0 0 "[ . 1]" 1
338 1 45 LEU MD1 1 84 TYR H 1.800 . 5.200 4.247 3.993 4.381 . 0 0 "[ . 1]" 1
339 1 72 GLU H 1 84 TYR QB 1.800 . 6.300 3.607 3.296 4.044 . 0 0 "[ . 1]" 1
340 1 72 GLU H 1 84 TYR H 1.800 . 5.000 2.724 2.412 3.559 . 0 0 "[ . 1]" 1
341 1 83 ILE HA 1 84 TYR H 1.800 . 3.000 2.281 2.219 2.347 . 0 0 "[ . 1]" 1
342 1 83 ILE HB 1 84 TYR H 1.800 . 4.000 3.893 3.713 4.023 0.023 4 0 "[ . 1]" 1
343 1 45 LEU HA 1 85 ARG H 1.800 . 5.000 3.885 3.568 4.214 . 0 0 "[ . 1]" 1
344 1 71 SER H 1 85 ARG QB 1.800 . 6.300 4.963 4.420 5.352 . 0 0 "[ . 1]" 1
345 1 71 SER HA 1 85 ARG H 1.800 . 5.000 4.899 4.625 5.033 0.033 7 0 "[ . 1]" 1
346 1 72 GLU H 1 85 ARG HA 1.800 . 5.000 3.460 3.251 3.774 . 0 0 "[ . 1]" 1
347 1 72 GLU H 1 85 ARG QB 1.800 . 6.300 4.822 4.465 5.326 . 0 0 "[ . 1]" 1
348 1 83 ILE HB 1 85 ARG H 1.800 . 5.000 5.129 5.085 5.179 0.179 3 0 "[ . 1]" 1
349 1 83 ILE MG 1 85 ARG H 1.800 . 5.200 3.920 3.838 4.079 . 0 0 "[ . 1]" 1
350 1 84 TYR HA 1 85 ARG H 1.800 . 3.000 2.239 2.202 2.273 . 0 0 "[ . 1]" 1
351 1 84 TYR QB 1 85 ARG H 1.800 . 6.300 3.976 3.949 4.007 . 0 0 "[ . 1]" 1
352 1 85 ARG H 1 85 ARG QG 1.800 . 6.300 3.490 1.935 4.021 . 0 0 "[ . 1]" 1
353 1 71 SER HA 1 86 GLU H 1.800 . 3.300 3.012 2.613 3.420 0.120 4 0 "[ . 1]" 1
354 1 85 ARG QG 1 86 GLU H 1.800 . 6.300 3.249 2.213 4.310 . 0 0 "[ . 1]" 1
355 1 86 GLU H 1 86 GLU QG 1.800 . 4.060 2.848 2.444 3.289 . 0 0 "[ . 1]" 1
356 1 86 GLU HA 1 87 SER H 1.800 . 3.000 2.742 2.458 3.030 0.030 9 0 "[ . 1]" 1
357 1 86 GLU QB 1 87 SER H 1.800 . 6.300 2.220 1.915 2.573 . 0 0 "[ . 1]" 1
358 1 87 SER H 1 88 LYS HA 1.800 . 5.000 5.075 4.890 5.248 0.248 1 0 "[ . 1]" 1
359 1 87 SER HA 1 88 LYS H 1.800 . 5.000 2.271 2.238 2.313 . 0 0 "[ . 1]" 1
360 1 88 LYS H 1 88 LYS QG 1.800 . 6.300 4.091 3.586 4.261 . 0 0 "[ . 1]" 1
361 1 88 LYS HA 1 89 GLU H 1.800 . 5.000 3.561 3.546 3.575 . 0 0 "[ . 1]" 1
362 1 88 LYS H 1 89 GLU H 1.800 . 4.000 2.136 1.909 2.494 . 0 0 "[ . 1]" 1
363 1 89 GLU H 1 89 GLU HA 1.800 . 3.000 2.982 2.966 2.993 . 0 0 "[ . 1]" 1
364 1 88 LYS H 1 90 ASN H 1.800 . 5.000 5.212 5.143 5.258 0.258 8 0 "[ . 1]" 1
365 1 89 GLU QB 1 90 ASN H 1.800 . 6.300 3.652 3.410 3.873 . 0 0 "[ . 1]" 1
366 1 89 GLU H 1 90 ASN H 1.800 . 5.000 4.371 4.327 4.439 . 0 0 "[ . 1]" 1
367 1 87 SER QB 1 91 LYS H 1.800 . 6.300 5.098 4.455 5.469 . 0 0 "[ . 1]" 1
368 1 90 ASN HA 1 91 LYS H 1.800 . 3.000 2.363 2.305 2.416 . 0 0 "[ . 1]" 1
369 1 90 ASN QB 1 91 LYS H 1.800 . 6.300 3.918 3.851 4.025 . 0 0 "[ . 1]" 1
370 1 90 ASN H 1 91 LYS H 1.800 . 4.000 4.040 3.970 4.091 0.091 7 0 "[ . 1]" 1
371 1 91 LYS H 1 91 LYS QG 1.800 . 6.300 3.626 2.540 4.031 . 0 0 "[ . 1]" 1
372 1 91 LYS HA 1 92 GLU H 1.800 . 4.000 2.472 2.424 2.773 . 0 0 "[ . 1]" 1
373 1 91 LYS QB 1 92 GLU H 1.800 . 6.300 3.042 2.385 3.458 . 0 0 "[ . 1]" 1
374 1 91 LYS H 1 92 GLU H 1.800 . 5.000 4.586 4.429 4.660 . 0 0 "[ . 1]" 1
375 1 92 GLU H 1 92 GLU QG 1.800 . 6.300 3.417 2.145 3.999 . 0 0 "[ . 1]" 1
376 1 91 LYS H 1 93 ILE QG 1.800 . 4.000 3.643 3.378 3.717 . 0 0 "[ . 1]" 1
377 1 91 LYS HA 1 93 ILE H 1.800 . 5.000 4.739 4.648 4.818 . 0 0 "[ . 1]" 1
378 1 92 GLU HA 1 93 ILE H 1.800 . 5.000 2.450 2.408 2.507 . 0 0 "[ . 1]" 1
379 1 92 GLU H 1 93 ILE H 1.800 . 4.000 3.885 3.816 3.950 . 0 0 "[ . 1]" 1
380 1 93 ILE H 1 93 ILE HB 1.800 . 4.000 2.215 2.158 2.318 . 0 0 "[ . 1]" 1
381 1 93 ILE H 1 93 ILE MD 1.800 . 6.400 3.986 3.864 4.078 . 0 0 "[ . 1]" 1
382 1 93 ILE H 1 93 ILE MG 1.800 . 6.400 3.619 3.543 3.706 . 0 0 "[ . 1]" 1
383 1 93 ILE HA 1 94 GLU H 1.800 . 3.000 2.241 2.206 2.266 . 0 0 "[ . 1]" 1
384 1 93 ILE QG 1 94 GLU H 1.800 . 6.400 4.511 4.319 4.705 . 0 0 "[ . 1]" 1
385 1 93 ILE MG 1 94 GLU H 1.800 . 5.200 2.709 2.363 3.146 . 0 0 "[ . 1]" 1
386 1 94 GLU H 1 94 GLU QG 1.800 . 6.300 3.197 1.885 4.117 . 0 0 "[ . 1]" 1
387 1 3 THR H 1 95 LEU MD2 1.800 . 5.200 4.191 4.017 4.348 . 0 0 "[ . 1]" 1
388 1 1 MET QB 1 2 LEU HA 1.800 . 4.396 4.012 3.849 4.123 . 0 0 "[ . 1]" 1
389 1 2 LEU HA 1 2 LEU MD1 1.800 . 6.400 3.377 3.302 3.461 . 0 0 "[ . 1]" 1
390 1 2 LEU QB 1 2 LEU MD1 1.800 . 7.850 2.064 1.962 2.124 . 0 0 "[ . 1]" 1
391 1 2 LEU HA 1 2 LEU MD2 1.800 . 3.640 3.243 3.141 3.327 . 0 0 "[ . 1]" 1
392 1 2 LEU QB 1 2 LEU MD2 1.800 . 5.555 2.031 1.913 2.107 . 0 0 "[ . 1]" 1
393 1 2 LEU MD1 1 2 LEU MD2 1.800 . 4.688 2.030 1.922 2.080 . 0 0 "[ . 1]" 1
394 1 2 LEU HA 1 3 THR HA 1.800 . 5.000 4.392 4.376 4.406 . 0 0 "[ . 1]" 1
395 1 2 LEU HA 1 3 THR HB 1.800 . 3.300 3.660 3.632 3.737 0.437 9 0 "[ . 1]" 1
396 1 2 LEU HA 1 3 THR MG 1.800 . 6.400 4.710 4.498 4.920 . 0 0 "[ . 1]" 1
397 1 3 THR HA 1 3 THR HB 1.800 . 2.700 2.808 2.751 2.884 0.184 9 0 "[ . 1]" 1
398 1 3 THR HA 1 3 THR MG 1.800 . 3.640 3.023 2.875 3.087 . 0 0 "[ . 1]" 1
399 1 2 LEU MD2 1 4 GLY QA 1.800 . 7.850 3.657 3.576 3.833 . 0 0 "[ . 1]" 1
400 1 3 THR MG 1 5 LYS QB 1.800 . 7.850 2.487 2.081 3.523 . 0 0 "[ . 1]" 1
401 1 3 THR MG 1 5 LYS QG 1.800 . 5.555 3.425 1.765 4.011 0.035 1 0 "[ . 1]" 1
402 1 5 LYS HA 1 5 LYS QG 1.800 . 4.396 2.580 2.228 3.306 . 0 0 "[ . 1]" 1
403 1 5 LYS QB 1 5 LYS QG 1.800 . 4.802 2.071 2.046 2.106 . 0 0 "[ . 1]" 1
404 1 5 LYS QE 1 5 LYS QG 1.800 . 5.558 2.097 1.941 2.286 . 0 0 "[ . 1]" 1
405 1 2 LEU MD1 1 6 GLN QB 1.800 . 5.555 2.678 2.513 2.796 . 0 0 "[ . 1]" 1
406 1 2 LEU MD2 1 6 GLN QB 1.800 . 5.555 2.387 2.305 2.509 . 0 0 "[ . 1]" 1
407 1 2 LEU HA 1 6 GLN HE22 1.800 . 5.000 3.133 2.092 4.187 . 0 0 "[ . 1]" 1
408 1 2 LEU HA 1 6 GLN QG 1.800 . 6.300 4.109 2.497 4.604 . 0 0 "[ . 1]" 1
409 1 2 LEU MD2 1 6 GLN QG 1.800 . 7.850 4.200 4.069 4.309 . 0 0 "[ . 1]" 1
410 1 5 LYS QG 1 6 GLN HA 1.800 . 4.396 3.707 3.432 4.003 . 0 0 "[ . 1]" 1
411 1 6 GLN HA 1 6 GLN QG 1.800 . 6.300 2.366 2.117 2.448 . 0 0 "[ . 1]" 1
412 1 6 GLN QB 1 6 GLN QG 1.800 . 7.700 2.098 2.047 2.109 . 0 0 "[ . 1]" 1
413 1 2 LEU MD1 1 7 LYS HA 1.800 . 6.400 2.577 2.237 3.000 . 0 0 "[ . 1]" 1
414 1 2 LEU MD1 1 7 LYS QB 1.800 . 5.555 3.491 3.199 3.833 . 0 0 "[ . 1]" 1
415 1 2 LEU MD2 1 7 LYS QD 1.800 . 7.850 3.914 3.013 4.237 . 0 0 "[ . 1]" 1
416 1 2 LEU MD2 1 7 LYS QE 1.800 . 7.850 3.231 2.308 4.947 . 0 0 "[ . 1]" 1
417 1 2 LEU MD1 1 7 LYS QG 1.800 . 7.850 4.130 3.683 4.620 . 0 0 "[ . 1]" 1
418 1 2 LEU MD2 1 7 LYS QG 1.800 . 5.555 3.272 2.973 3.954 . 0 0 "[ . 1]" 1
419 1 4 GLY QA 1 7 LYS QD 1.800 . 7.700 3.120 2.601 3.799 . 0 0 "[ . 1]" 1
420 1 7 LYS HA 1 7 LYS QG 1.800 . 6.300 2.467 2.302 2.646 . 0 0 "[ . 1]" 1
421 1 7 LYS QD 1 7 LYS QG 1.800 . 7.700 2.041 2.021 2.088 . 0 0 "[ . 1]" 1
422 1 7 LYS QB 1 7 LYS QG 1.800 . 7.700 2.090 2.046 2.105 . 0 0 "[ . 1]" 1
423 1 7 LYS QE 1 7 LYS QG 1.800 . 7.700 2.232 1.980 2.366 . 0 0 "[ . 1]" 1
424 1 5 LYS QB 1 8 ARG QB 1.800 . 5.558 4.513 4.320 4.597 . 0 0 "[ . 1]" 1
425 1 5 LYS HA 1 8 ARG QD 1.800 . 6.300 4.108 3.313 5.166 . 0 0 "[ . 1]" 1
426 1 7 LYS QB 1 8 ARG HA 1.800 . 5.000 4.233 4.078 4.412 . 0 0 "[ . 1]" 1
427 1 7 LYS QG 1 8 ARG HA 1.800 . 4.396 3.512 3.053 3.950 . 0 0 "[ . 1]" 1
428 1 8 ARG HA 1 8 ARG QD 1.800 . 6.300 3.509 2.154 4.040 . 0 0 "[ . 1]" 1
429 1 8 ARG HA 1 8 ARG QG 1.800 . 6.300 2.289 2.051 2.697 . 0 0 "[ . 1]" 1
430 1 6 GLN HA 1 9 TYR QB 1.800 . 6.300 3.123 2.956 3.519 . 0 0 "[ . 1]" 1
431 1 8 ARG QB 1 9 TYR QB 1.800 . 7.700 3.986 3.817 4.153 . 0 0 "[ . 1]" 1
432 1 9 TYR HA 1 9 TYR QD 1.800 . 6.300 2.527 1.967 3.033 . 0 0 "[ . 1]" 1
433 1 9 TYR HA 1 9 TYR QE 1.800 . 6.300 4.339 4.193 4.485 . 0 0 "[ . 1]" 1
434 1 2 LEU MD1 1 10 LEU MD1 1.800 . 8.000 2.257 2.017 2.467 . 0 0 "[ . 1]" 1
435 1 2 LEU MD1 1 10 LEU MD2 1.800 . 5.552 3.822 3.691 3.893 . 0 0 "[ . 1]" 1
436 1 6 GLN HA 1 10 LEU MD1 1.800 . 6.400 4.748 4.377 5.247 . 0 0 "[ . 1]" 1
437 1 7 LYS HA 1 10 LEU MD2 1.800 . 6.400 5.017 4.875 5.165 . 0 0 "[ . 1]" 1
438 1 9 TYR HA 1 10 LEU HA 1.800 . 5.000 4.740 4.705 4.762 . 0 0 "[ . 1]" 1
439 1 9 TYR QB 1 10 LEU HG 1.800 . 4.396 4.168 4.080 4.228 . 0 0 "[ . 1]" 1
440 1 10 LEU HA 1 10 LEU MD1 1.800 . 4.360 3.621 3.594 3.636 . 0 0 "[ . 1]" 1
441 1 10 LEU QB 1 10 LEU MD1 1.800 . 7.850 2.102 2.056 2.136 . 0 0 "[ . 1]" 1
442 1 10 LEU HA 1 10 LEU MD2 1.800 . 6.400 2.201 2.077 2.326 . 0 0 "[ . 1]" 1
443 1 10 LEU QB 1 10 LEU MD2 1.800 . 5.555 2.135 2.043 2.268 . 0 0 "[ . 1]" 1
444 1 10 LEU MD1 1 10 LEU MD2 1.800 . 4.688 2.020 1.938 2.073 . 0 0 "[ . 1]" 1
445 1 8 ARG HA 1 11 ARG QB 1.800 . 4.396 3.122 2.521 3.922 . 0 0 "[ . 1]" 1
446 1 8 ARG HA 1 11 ARG QD 1.800 . 6.300 3.606 1.941 4.065 . 0 0 "[ . 1]" 1
447 1 11 ARG QB 1 11 ARG QD 1.800 . 5.558 2.050 1.905 2.164 . 0 0 "[ . 1]" 1
448 1 11 ARG HA 1 11 ARG QG 1.800 . 4.396 2.734 2.382 3.424 . 0 0 "[ . 1]" 1
449 1 9 TYR HA 1 12 SER QB 1.800 . 6.300 3.707 3.121 4.557 . 0 0 "[ . 1]" 1
450 1 9 TYR QB 1 12 SER QB 1.800 . 7.700 5.067 4.553 5.938 . 0 0 "[ . 1]" 1
451 1 10 LEU HA 1 13 LEU QB 1.800 . 6.300 2.376 2.012 2.887 . 0 0 "[ . 1]" 1
452 1 10 LEU HA 1 13 LEU MD1 1.800 . 6.400 3.807 3.513 4.321 . 0 0 "[ . 1]" 1
453 1 10 LEU HA 1 13 LEU HG 1.800 . 5.000 2.250 1.947 2.766 . 0 0 "[ . 1]" 1
454 1 12 SER HA 1 13 LEU MD2 1.800 . 6.400 4.424 4.340 4.511 . 0 0 "[ . 1]" 1
455 1 13 LEU HA 1 13 LEU MD1 1.800 . 3.640 2.876 2.783 2.975 . 0 0 "[ . 1]" 1
456 1 13 LEU QB 1 13 LEU MD1 1.800 . 5.555 1.994 1.903 2.060 . 0 0 "[ . 1]" 1
457 1 13 LEU HA 1 13 LEU MD2 1.800 . 3.640 1.858 1.852 1.875 . 0 0 "[ . 1]" 1
458 1 13 LEU MD1 1 13 LEU MD2 1.800 . 5.552 2.043 2.023 2.058 . 0 0 "[ . 1]" 1
459 1 11 ARG HA 1 14 ALA MB 1.800 . 4.396 3.308 2.443 3.542 . 0 0 "[ . 1]" 1
460 1 13 LEU QB 1 14 ALA MB 1.800 . 5.558 3.624 3.502 3.831 . 0 0 "[ . 1]" 1
461 1 12 SER HA 1 15 HIS QB 1.800 . 6.300 2.836 2.113 3.903 . 0 0 "[ . 1]" 1
462 1 15 HIS QB 1 16 ASN QB 1.800 . 4.802 3.453 3.320 3.581 . 0 0 "[ . 1]" 1
463 1 13 LEU HA 1 17 ILE QG 1.800 . 4.360 4.066 3.965 4.183 . 0 0 "[ . 1]" 1
464 1 14 ALA HA 1 17 ILE HB 1.800 . 5.000 2.760 2.434 3.155 . 0 0 "[ . 1]" 1
465 1 14 ALA MB 1 17 ILE HB 1.800 . 6.300 3.918 3.660 4.388 . 0 0 "[ . 1]" 1
466 1 14 ALA HA 1 17 ILE MD 1.800 . 3.640 2.357 1.870 3.253 . 0 0 "[ . 1]" 1
467 1 14 ALA HA 1 17 ILE QG 1.800 . 6.400 1.897 1.720 1.935 0.080 7 0 "[ . 1]" 1
468 1 14 ALA HA 1 17 ILE MG 1.800 . 4.360 3.739 3.678 3.817 . 0 0 "[ . 1]" 1
469 1 15 HIS QB 1 17 ILE H 1.800 . 6.300 4.440 4.276 4.696 . 0 0 "[ . 1]" 1
470 1 17 ILE HA 1 17 ILE MD 1.800 . 4.360 3.548 2.179 3.780 . 0 0 "[ . 1]" 1
471 1 17 ILE MD 1 17 ILE QG 1.800 . 4.688 1.910 1.895 1.915 . 0 0 "[ . 1]" 1
472 1 17 ILE HA 1 17 ILE QG 1.800 . 4.360 2.677 2.470 3.204 . 0 0 "[ . 1]" 1
473 1 17 ILE HA 1 17 ILE MG 1.800 . 3.640 2.130 2.028 2.185 . 0 0 "[ . 1]" 1
474 1 17 ILE MD 1 17 ILE MG 1.800 . 4.688 1.758 1.626 1.888 0.174 1 0 "[ . 1]" 1
475 1 17 ILE HB 1 18 ASP HA 1.800 . 5.000 4.564 4.460 4.710 . 0 0 "[ . 1]" 1
476 1 17 ILE QG 1 18 ASP HA 1.800 . 6.400 5.801 5.734 5.866 . 0 0 "[ . 1]" 1
477 1 17 ILE MG 1 18 ASP QB 1.800 . 5.555 3.527 3.372 3.746 . 0 0 "[ . 1]" 1
478 1 18 ASP HA 1 19 PRO QD 1.800 . 4.396 2.019 1.885 2.096 . 0 0 "[ . 1]" 1
479 1 18 ASP QB 1 19 PRO QD 1.800 . 7.700 2.736 2.302 3.116 . 0 0 "[ . 1]" 1
480 1 18 ASP HA 1 19 PRO QG 1.800 . 6.300 3.928 3.833 3.986 . 0 0 "[ . 1]" 1
481 1 18 ASP QB 1 19 PRO QG 1.800 . 7.700 4.120 3.597 4.678 . 0 0 "[ . 1]" 1
482 1 19 PRO HA 1 19 PRO QD 1.800 . 6.300 3.393 3.270 3.536 . 0 0 "[ . 1]" 1
483 1 19 PRO QD 1 19 PRO QG 1.800 . 5.558 1.960 1.932 1.985 . 0 0 "[ . 1]" 1
484 1 20 ILE HA 1 20 ILE MD 1.800 . 4.360 3.418 2.032 3.822 . 0 0 "[ . 1]" 1
485 1 20 ILE HB 1 20 ILE MD 1.800 . 3.640 2.721 2.272 3.199 . 0 0 "[ . 1]" 1
486 1 20 ILE MD 1 20 ILE QG 1.800 . 4.688 1.891 1.862 1.911 . 0 0 "[ . 1]" 1
487 1 20 ILE HA 1 20 ILE MG 1.800 . 3.640 2.640 2.026 3.194 . 0 0 "[ . 1]" 1
488 1 20 ILE MD 1 20 ILE MG 1.800 . 5.552 2.385 1.643 3.238 0.157 5 0 "[ . 1]" 1
489 1 20 ILE QG 1 20 ILE MG 1.800 . 5.552 2.262 2.040 2.490 . 0 0 "[ . 1]" 1
490 1 20 ILE MD 1 21 PHE QB 1.800 . 5.555 3.498 1.853 4.014 . 0 0 "[ . 1]" 1
491 1 20 ILE MG 1 21 PHE QB 1.800 . 7.850 4.313 2.209 5.670 . 0 0 "[ . 1]" 1
492 1 20 ILE MD 1 21 PHE QD 1.800 . 7.850 2.765 1.914 3.415 . 0 0 "[ . 1]" 1
493 1 20 ILE MD 1 21 PHE HZ 1.800 . 6.400 3.819 2.445 5.346 . 0 0 "[ . 1]" 1
494 1 21 PHE HA 1 21 PHE QD 1.800 . 6.300 3.002 1.822 3.677 . 0 0 "[ . 1]" 1
495 1 21 PHE HA 1 21 PHE QE 1.800 . 6.300 4.973 4.105 5.539 . 0 0 "[ . 1]" 1
496 1 21 PHE QB 1 22 GLN HA 1.800 . 6.300 4.247 4.150 4.329 . 0 0 "[ . 1]" 1
497 1 21 PHE HA 1 22 GLN QB 1.800 . 6.300 4.049 3.808 4.358 . 0 0 "[ . 1]" 1
498 1 22 GLN HA 1 22 GLN QG 1.800 . 6.300 2.438 2.021 3.321 . 0 0 "[ . 1]" 1
499 1 22 GLN QB 1 22 GLN QG 1.800 . 4.802 2.072 2.056 2.108 . 0 0 "[ . 1]" 1
500 1 22 GLN HA 1 23 ILE QG 1.800 . 6.400 4.580 4.262 4.998 . 0 0 "[ . 1]" 1
501 1 23 ILE HA 1 23 ILE MD 1.800 . 4.360 2.662 1.886 3.704 . 0 0 "[ . 1]" 1
502 1 23 ILE HB 1 23 ILE MD 1.800 . 4.360 2.855 2.299 3.186 . 0 0 "[ . 1]" 1
503 1 23 ILE HA 1 23 ILE QG 1.800 . 4.360 2.340 2.086 2.551 . 0 0 "[ . 1]" 1
504 1 23 ILE MD 1 23 ILE QG 1.800 . 4.688 1.906 1.889 1.915 . 0 0 "[ . 1]" 1
505 1 23 ILE HA 1 23 ILE MG 1.800 . 3.640 2.898 2.809 2.996 . 0 0 "[ . 1]" 1
506 1 23 ILE MD 1 23 ILE MG 1.800 . 4.688 1.783 1.645 1.938 0.155 3 0 "[ . 1]" 1
507 1 23 ILE QG 1 23 ILE MG 1.800 . 5.552 2.318 2.205 2.479 . 0 0 "[ . 1]" 1
508 1 23 ILE QG 1 24 GLY QA 1.800 . 7.850 5.226 4.630 5.554 . 0 0 "[ . 1]" 1
509 1 24 GLY QA 1 25 LYS HA 1.800 . 4.396 4.021 3.993 4.044 . 0 0 "[ . 1]" 1
510 1 24 GLY QA 1 25 LYS QG 1.800 . 7.700 4.689 3.205 5.366 . 0 0 "[ . 1]" 1
511 1 25 LYS HA 1 25 LYS QD 1.800 . 4.396 3.841 3.550 4.058 . 0 0 "[ . 1]" 1
512 1 25 LYS QE 1 25 LYS QG 1.800 . 5.558 2.112 1.905 2.238 . 0 0 "[ . 1]" 1
513 1 23 ILE MG 1 27 GLY QA 1.800 . 5.555 3.891 3.375 4.102 . 0 0 "[ . 1]" 1
514 1 23 ILE MD 1 28 ILE HA 1.800 . 4.360 1.800 1.748 1.859 0.052 2 0 "[ . 1]" 1
515 1 23 ILE QG 1 28 ILE HA 1.800 . 6.400 3.183 2.228 3.970 . 0 0 "[ . 1]" 1
516 1 23 ILE MG 1 28 ILE HA 1.800 . 3.640 2.839 2.695 2.949 . 0 0 "[ . 1]" 1
517 1 23 ILE MD 1 28 ILE HB 1.800 . 6.400 3.770 3.535 4.030 . 0 0 "[ . 1]" 1
518 1 23 ILE MD 1 28 ILE QG 1.800 . 8.000 2.022 1.672 2.561 0.128 8 0 "[ . 1]" 1
519 1 23 ILE QG 1 28 ILE QG 1.800 . 8.000 3.029 2.195 3.900 . 0 0 "[ . 1]" 1
520 1 23 ILE MG 1 28 ILE QG 1.800 . 8.000 2.914 2.330 3.272 . 0 0 "[ . 1]" 1
521 1 28 ILE HA 1 28 ILE MD 1.800 . 4.360 3.753 3.696 3.793 . 0 0 "[ . 1]" 1
522 1 28 ILE HB 1 28 ILE MD 1.800 . 3.640 2.340 2.115 2.484 . 0 0 "[ . 1]" 1
523 1 28 ILE HA 1 28 ILE QG 1.800 . 6.400 2.302 2.188 2.400 . 0 0 "[ . 1]" 1
524 1 28 ILE MD 1 28 ILE QG 1.800 . 4.688 1.890 1.876 1.911 . 0 0 "[ . 1]" 1
525 1 28 ILE HA 1 28 ILE MG 1.800 . 3.640 2.454 2.393 2.595 . 0 0 "[ . 1]" 1
526 1 23 ILE MD 1 29 ASN HA 1.800 . 6.400 5.011 4.568 5.228 . 0 0 "[ . 1]" 1
527 1 28 ILE MG 1 29 ASN HA 1.800 . 6.400 3.927 3.848 4.024 . 0 0 "[ . 1]" 1
528 1 29 ASN HA 1 30 GLU HA 1.800 . 5.000 4.457 4.428 4.479 . 0 0 "[ . 1]" 1
529 1 29 ASN QB 1 30 GLU HA 1.800 . 6.300 4.743 4.590 4.830 . 0 0 "[ . 1]" 1
530 1 30 GLU HA 1 30 GLU QG 1.800 . 4.396 2.372 2.286 2.463 . 0 0 "[ . 1]" 1
531 1 21 PHE QB 1 32 MET QG 1.800 . 7.700 3.949 2.930 5.585 . 0 0 "[ . 1]" 1
532 1 22 GLN HA 1 32 MET ME 1.800 . 6.300 5.012 4.786 5.131 . 0 0 "[ . 1]" 1
533 1 23 ILE QG 1 32 MET QB 1.800 . 7.850 2.939 2.112 4.337 . 0 0 "[ . 1]" 1
534 1 23 ILE HA 1 32 MET ME 1.800 . 3.724 2.650 1.848 3.018 . 0 0 "[ . 1]" 1
535 1 23 ILE MD 1 32 MET QG 1.800 . 7.850 2.871 1.877 4.159 . 0 0 "[ . 1]" 1
536 1 28 ILE MG 1 32 MET QB 1.800 . 7.850 3.642 2.767 4.065 . 0 0 "[ . 1]" 1
537 1 28 ILE HA 1 32 MET QB 1.800 . 6.300 4.138 3.386 4.476 . 0 0 "[ . 1]" 1
538 1 29 ASN QB 1 32 MET ME 1.800 . 5.558 3.978 3.287 4.226 . 0 0 "[ . 1]" 1
539 1 32 MET QB 1 32 MET ME 1.800 . 5.558 3.266 1.793 3.674 0.007 5 0 "[ . 1]" 1
540 1 32 MET HA 1 32 MET QG 1.800 . 4.396 2.203 1.907 2.866 . 0 0 "[ . 1]" 1
541 1 32 MET QB 1 32 MET QG 1.800 . 5.558 2.037 2.015 2.052 . 0 0 "[ . 1]" 1
542 1 32 MET ME 1 32 MET QG 1.800 . 5.558 2.107 1.984 2.382 . 0 0 "[ . 1]" 1
543 1 28 ILE HA 1 33 ILE MD 1.800 . 6.400 4.887 4.507 5.228 . 0 0 "[ . 1]" 1
544 1 28 ILE QG 1 33 ILE MD 1.800 . 8.000 4.593 4.087 5.067 . 0 0 "[ . 1]" 1
545 1 28 ILE MG 1 33 ILE MD 1.800 . 4.688 2.145 1.813 2.467 . 0 0 "[ . 1]" 1
546 1 28 ILE QG 1 33 ILE QG 1.800 . 8.000 4.780 4.153 5.663 . 0 0 "[ . 1]" 1
547 1 28 ILE MG 1 33 ILE QG 1.800 . 4.688 2.569 2.129 2.919 . 0 0 "[ . 1]" 1
548 1 30 GLU HA 1 33 ILE MD 1.800 . 4.360 2.670 2.210 3.722 . 0 0 "[ . 1]" 1
549 1 30 GLU HA 1 33 ILE MG 1.800 . 4.360 3.674 3.636 3.714 . 0 0 "[ . 1]" 1
550 1 32 MET QB 1 33 ILE HA 1.800 . 6.300 3.901 3.857 4.074 . 0 0 "[ . 1]" 1
551 1 32 MET QG 1 33 ILE QG 1.800 . 7.850 4.905 4.630 5.091 . 0 0 "[ . 1]" 1
552 1 33 ILE HA 1 33 ILE MD 1.800 . 4.360 3.585 1.993 3.779 . 0 0 "[ . 1]" 1
553 1 33 ILE HB 1 33 ILE MD 1.800 . 4.360 2.447 2.283 3.189 . 0 0 "[ . 1]" 1
554 1 33 ILE HA 1 33 ILE QG 1.800 . 6.400 2.413 2.309 3.026 . 0 0 "[ . 1]" 1
555 1 33 ILE MD 1 33 ILE QG 1.800 . 4.688 1.885 1.876 1.911 . 0 0 "[ . 1]" 1
556 1 33 ILE HA 1 33 ILE MG 1.800 . 4.360 2.321 2.225 2.370 . 0 0 "[ . 1]" 1
557 1 33 ILE QG 1 33 ILE MG 1.800 . 5.552 2.311 2.214 2.370 . 0 0 "[ . 1]" 1
558 1 30 GLU QG 1 34 LYS HA 1.800 . 4.396 4.069 3.908 4.155 . 0 0 "[ . 1]" 1
559 1 33 ILE HB 1 34 LYS QG 1.800 . 4.396 3.788 3.356 3.947 . 0 0 "[ . 1]" 1
560 1 34 LYS HA 1 34 LYS QD 1.800 . 6.300 3.232 2.723 3.622 . 0 0 "[ . 1]" 1
561 1 34 LYS HA 1 34 LYS QG 1.800 . 6.300 2.207 2.092 2.485 . 0 0 "[ . 1]" 1
562 1 34 LYS QE 1 34 LYS QG 1.800 . 5.558 2.111 1.973 2.511 . 0 0 "[ . 1]" 1
563 1 21 PHE QD 1 35 GLN QB 1.800 . 7.700 3.645 2.442 4.555 . 0 0 "[ . 1]" 1
564 1 32 MET HA 1 35 GLN QB 1.800 . 4.396 3.167 2.982 3.519 . 0 0 "[ . 1]" 1
565 1 32 MET ME 1 35 GLN HE21 1.800 . 6.300 4.991 4.414 5.328 . 0 0 "[ . 1]" 1
566 1 32 MET HA 1 35 GLN QG 1.800 . 6.300 5.135 4.700 5.611 . 0 0 "[ . 1]" 1
567 1 34 LYS QB 1 35 GLN HA 1.800 . 4.396 3.977 3.955 4.020 . 0 0 "[ . 1]" 1
568 1 34 LYS QB 1 35 GLN QG 1.800 . 7.700 4.593 3.649 5.299 . 0 0 "[ . 1]" 1
569 1 35 GLN HA 1 35 GLN QG 1.800 . 4.396 2.161 1.937 2.413 . 0 0 "[ . 1]" 1
570 1 35 GLN QB 1 35 GLN QG 1.800 . 4.802 2.085 2.063 2.105 . 0 0 "[ . 1]" 1
571 1 21 PHE QB 1 36 ILE HA 1.800 . 6.300 3.147 2.559 3.689 . 0 0 "[ . 1]" 1
572 1 21 PHE QE 1 36 ILE HA 1.800 . 6.300 3.088 2.543 3.588 . 0 0 "[ . 1]" 1
573 1 21 PHE H 1 36 ILE HA 1.800 . 5.000 5.247 5.146 5.322 0.322 1 0 "[ . 1]" 1
574 1 21 PHE QB 1 36 ILE MD 1.800 . 5.555 2.757 2.563 2.991 . 0 0 "[ . 1]" 1
575 1 32 MET QG 1 36 ILE MD 1.800 . 5.555 3.429 2.429 4.022 . 0 0 "[ . 1]" 1
576 1 33 ILE HA 1 36 ILE MD 1.800 . 6.400 2.164 1.849 2.416 . 0 0 "[ . 1]" 1
577 1 33 ILE HA 1 36 ILE QG 1.800 . 6.400 3.272 2.840 3.599 . 0 0 "[ . 1]" 1
578 1 36 ILE HA 1 36 ILE MD 1.800 . 4.360 3.813 3.751 3.840 . 0 0 "[ . 1]" 1
579 1 36 ILE HB 1 36 ILE MD 1.800 . 4.360 2.192 2.020 2.356 . 0 0 "[ . 1]" 1
580 1 36 ILE HA 1 36 ILE QG 1.800 . 6.400 2.383 2.307 2.418 . 0 0 "[ . 1]" 1
581 1 36 ILE MD 1 36 ILE QG 1.800 . 5.552 1.886 1.871 1.911 . 0 0 "[ . 1]" 1
582 1 36 ILE HA 1 36 ILE MG 1.800 . 4.360 2.398 2.310 2.489 . 0 0 "[ . 1]" 1
583 1 36 ILE MD 1 36 ILE MG 1.800 . 4.688 2.143 1.926 2.379 . 0 0 "[ . 1]" 1
584 1 36 ILE QG 1 36 ILE MG 1.800 . 8.000 2.150 2.005 2.299 . 0 0 "[ . 1]" 1
585 1 33 ILE MG 1 37 ASP HA 1.800 . 4.360 3.686 3.590 3.767 . 0 0 "[ . 1]" 1
586 1 33 ILE MG 1 37 ASP QB 1.800 . 5.555 2.781 2.372 3.384 . 0 0 "[ . 1]" 1
587 1 34 LYS HA 1 37 ASP QB 1.800 . 4.396 2.624 2.420 2.786 . 0 0 "[ . 1]" 1
588 1 36 ILE QG 1 37 ASP HA 1.800 . 6.400 5.785 5.767 5.798 . 0 0 "[ . 1]" 1
589 1 36 ILE MG 1 37 ASP HA 1.800 . 6.400 3.599 3.439 3.735 . 0 0 "[ . 1]" 1
590 1 36 ILE HA 1 37 ASP QB 1.800 . 6.300 5.102 5.071 5.147 . 0 0 "[ . 1]" 1
591 1 35 GLN HA 1 38 ASP QB 1.800 . 6.300 3.447 3.207 3.637 . 0 0 "[ . 1]" 1
592 1 35 GLN QG 1 38 ASP QB 1.800 . 5.558 4.320 4.039 4.436 . 0 0 "[ . 1]" 1
593 1 37 ASP QB 1 38 ASP HA 1.800 . 6.300 4.114 3.807 4.336 . 0 0 "[ . 1]" 1
594 1 20 ILE MD 1 39 THR HA 1.800 . 6.400 4.350 3.898 5.244 . 0 0 "[ . 1]" 1
595 1 20 ILE QG 1 39 THR HA 1.800 . 4.360 4.059 3.885 4.324 . 0 0 "[ . 1]" 1
596 1 20 ILE QG 1 39 THR HB 1.800 . 6.400 3.244 1.899 4.453 . 0 0 "[ . 1]" 1
597 1 20 ILE HB 1 39 THR MG 1.800 . 4.360 2.943 1.762 3.762 0.038 7 0 "[ . 1]" 1
598 1 20 ILE MG 1 39 THR MG 1.800 . 8.000 3.190 2.460 3.854 . 0 0 "[ . 1]" 1
599 1 21 PHE QD 1 39 THR MG 1.800 . 7.850 2.716 1.846 3.911 . 0 0 "[ . 1]" 1
600 1 21 PHE QE 1 39 THR MG 1.800 . 5.555 2.231 1.813 3.043 . 0 0 "[ . 1]" 1
601 1 21 PHE HZ 1 39 THR MG 1.800 . 4.360 3.483 3.343 3.613 . 0 0 "[ . 1]" 1
602 1 36 ILE HA 1 39 THR HB 1.800 . 3.300 2.478 1.951 3.309 0.009 4 0 "[ . 1]" 1
603 1 36 ILE HA 1 39 THR MG 1.800 . 6.400 3.622 3.308 4.072 . 0 0 "[ . 1]" 1
604 1 39 THR HA 1 39 THR MG 1.800 . 3.640 2.197 1.951 2.403 . 0 0 "[ . 1]" 1
605 1 37 ASP HA 1 41 GLU QB 1.800 . 4.396 3.876 3.788 3.946 . 0 0 "[ . 1]" 1
606 1 38 ASP HA 1 41 GLU QB 1.800 . 6.300 2.326 1.974 2.883 . 0 0 "[ . 1]" 1
607 1 38 ASP QB 1 42 ASN QB 1.800 . 7.700 4.865 4.500 5.386 . 0 0 "[ . 1]" 1
608 1 39 THR HA 1 42 ASN QB 1.800 . 4.396 3.241 2.593 3.817 . 0 0 "[ . 1]" 1
609 1 39 THR MG 1 42 ASN QB 1.800 . 7.850 4.358 3.663 4.858 . 0 0 "[ . 1]" 1
610 1 10 LEU HA 1 45 LEU MD1 1.800 . 6.400 4.090 4.020 4.197 . 0 0 "[ . 1]" 1
611 1 10 LEU QB 1 45 LEU MD1 1.800 . 7.850 3.412 3.279 3.652 . 0 0 "[ . 1]" 1
612 1 10 LEU MD1 1 45 LEU MD1 1.800 . 4.688 3.095 2.947 3.205 . 0 0 "[ . 1]" 1
613 1 10 LEU MD2 1 45 LEU MD1 1.800 . 5.552 1.630 1.612 1.647 0.188 1 0 "[ . 1]" 1
614 1 10 LEU HA 1 45 LEU MD2 1.800 . 6.400 3.401 3.200 3.633 . 0 0 "[ . 1]" 1
615 1 10 LEU QB 1 45 LEU MD2 1.800 . 7.850 3.995 3.782 4.249 . 0 0 "[ . 1]" 1
616 1 10 LEU MD2 1 45 LEU MD2 1.800 . 5.552 1.825 1.731 1.988 0.069 10 0 "[ . 1]" 1
617 1 13 LEU QB 1 45 LEU MD2 1.800 . 5.555 1.784 1.716 1.849 0.084 4 0 "[ . 1]" 1
618 1 13 LEU MD2 1 45 LEU MD2 1.800 . 5.552 3.972 3.931 4.015 . 0 0 "[ . 1]" 1
619 1 13 LEU QB 1 45 LEU HG 1.800 . 6.300 4.213 4.142 4.280 . 0 0 "[ . 1]" 1
620 1 14 ALA HA 1 45 LEU MD1 1.800 . 4.360 3.744 3.665 3.781 . 0 0 "[ . 1]" 1
621 1 14 ALA MB 1 45 LEU MD2 1.800 . 5.555 2.390 2.144 2.752 . 0 0 "[ . 1]" 1
622 1 14 ALA MB 1 45 LEU HG 1.800 . 4.396 2.713 1.917 3.598 . 0 0 "[ . 1]" 1
623 1 17 ILE MD 1 45 LEU HA 1.800 . 6.400 4.684 4.061 5.229 . 0 0 "[ . 1]" 1
624 1 17 ILE MD 1 45 LEU QB 1.800 . 5.555 2.457 1.797 3.056 0.003 3 0 "[ . 1]" 1
625 1 17 ILE MD 1 45 LEU MD2 1.800 . 4.688 1.748 1.638 1.884 0.162 5 0 "[ . 1]" 1
626 1 45 LEU HA 1 45 LEU MD1 1.800 . 6.400 1.929 1.859 2.045 . 0 0 "[ . 1]" 1
627 1 45 LEU QB 1 45 LEU MD1 1.800 . 5.555 2.313 2.218 2.384 . 0 0 "[ . 1]" 1
628 1 45 LEU HA 1 45 LEU MD2 1.800 . 4.360 3.744 3.689 3.787 . 0 0 "[ . 1]" 1
629 1 45 LEU QB 1 45 LEU MD2 1.800 . 5.555 2.043 2.000 2.099 . 0 0 "[ . 1]" 1
630 1 45 LEU MD1 1 45 LEU MD2 1.800 . 4.688 1.889 1.839 2.032 . 0 0 "[ . 1]" 1
631 1 20 ILE MD 1 46 ILE MG 1.800 . 4.688 2.736 1.875 3.374 . 0 0 "[ . 1]" 1
632 1 36 ILE HA 1 46 ILE MD 1.800 . 6.400 5.050 4.459 5.232 . 0 0 "[ . 1]" 1
633 1 36 ILE MG 1 46 ILE MD 1.800 . 5.552 2.905 2.480 3.151 . 0 0 "[ . 1]" 1
634 1 36 ILE HA 1 46 ILE MG 1.800 . 6.400 4.592 4.332 5.000 . 0 0 "[ . 1]" 1
635 1 39 THR HB 1 46 ILE MG 1.800 . 6.400 3.526 2.291 4.145 . 0 0 "[ . 1]" 1
636 1 39 THR MG 1 46 ILE MG 1.800 . 4.688 2.904 2.417 3.052 . 0 0 "[ . 1]" 1
637 1 42 ASN H 1 46 ILE MG 1.800 . 6.400 5.088 4.831 5.292 . 0 0 "[ . 1]" 1
638 1 45 LEU HA 1 46 ILE H 1.800 . 5.000 2.234 2.208 2.324 . 0 0 "[ . 1]" 1
639 1 45 LEU MD2 1 46 ILE H 1.800 . 6.400 4.599 4.255 4.767 . 0 0 "[ . 1]" 1
640 1 46 ILE HA 1 46 ILE MG 1.800 . 4.360 2.068 1.964 2.182 . 0 0 "[ . 1]" 1
641 1 17 ILE MG 1 47 LYS QG 1.800 . 4.745 3.168 2.572 3.464 . 0 0 "[ . 1]" 1
642 1 19 PRO QG 1 47 LYS QB 1.800 . 5.558 4.108 3.732 4.489 . 0 0 "[ . 1]" 1
643 1 19 PRO HA 1 47 LYS QB 1.800 . 6.300 2.713 1.828 4.334 . 0 0 "[ . 1]" 1
644 1 19 PRO HA 1 47 LYS QG 1.800 . 4.396 3.213 2.219 4.081 . 0 0 "[ . 1]" 1
645 1 19 PRO QG 1 47 LYS QG 1.800 . 7.700 5.033 3.967 6.010 . 0 0 "[ . 1]" 1
646 1 45 LEU HG 1 47 LYS HA 1.800 . 5.000 5.142 5.063 5.233 0.233 7 0 "[ . 1]" 1
647 1 47 LYS HA 1 47 LYS QG 1.800 . 6.300 2.944 2.079 3.500 . 0 0 "[ . 1]" 1
648 1 19 PRO HA 1 48 VAL HA 1.800 . 3.300 3.605 3.490 3.810 0.510 7 1 "[ . + 1]" 1
649 1 21 PHE QB 1 48 VAL HA 1.800 . 6.300 4.487 4.215 4.807 . 0 0 "[ . 1]" 1
650 1 21 PHE QB 1 48 VAL MG1 1.800 . 5.555 3.197 2.647 3.914 . 0 0 "[ . 1]" 1
651 1 21 PHE QB 1 48 VAL MG2 1.800 . 5.555 3.768 3.634 3.905 . 0 0 "[ . 1]" 1
652 1 36 ILE MD 1 48 VAL MG1 1.800 . 5.552 2.450 1.796 2.946 0.004 4 0 "[ . 1]" 1
653 1 36 ILE MD 1 48 VAL MG2 1.800 . 5.552 3.059 2.329 3.463 . 0 0 "[ . 1]" 1
654 1 36 ILE MG 1 48 VAL MG2 1.800 . 5.552 2.644 2.092 3.036 . 0 0 "[ . 1]" 1
655 1 47 LYS HA 1 48 VAL HB 1.800 . 5.000 4.615 4.296 4.889 . 0 0 "[ . 1]" 1
656 1 48 VAL HA 1 48 VAL MG1 1.800 . 4.360 2.353 2.214 2.540 . 0 0 "[ . 1]" 1
657 1 48 VAL HA 1 48 VAL MG2 1.800 . 4.360 2.427 2.219 2.620 . 0 0 "[ . 1]" 1
658 1 19 PRO QB 1 49 HIS HA 1.800 . 6.300 4.080 3.707 4.561 . 0 0 "[ . 1]" 1
659 1 19 PRO QG 1 49 HIS HA 1.800 . 6.300 4.916 3.692 5.558 . 0 0 "[ . 1]" 1
660 1 19 PRO QG 1 49 HIS QB 1.800 . 7.700 3.053 2.161 3.898 . 0 0 "[ . 1]" 1
661 1 22 GLN HA 1 49 HIS QB 1.800 . 6.300 2.531 2.013 3.085 . 0 0 "[ . 1]" 1
662 1 22 GLN HA 1 50 VAL HA 1.800 . 5.000 4.626 4.253 5.064 0.064 8 0 "[ . 1]" 1
663 1 23 ILE MD 1 50 VAL HA 1.800 . 6.400 4.044 3.409 4.637 . 0 0 "[ . 1]" 1
664 1 23 ILE QG 1 50 VAL HA 1.800 . 6.400 3.690 3.112 4.238 . 0 0 "[ . 1]" 1
665 1 50 VAL HA 1 50 VAL MG1 1.800 . 4.360 2.514 2.395 3.219 . 0 0 "[ . 1]" 1
666 1 50 VAL HA 1 50 VAL MG2 1.800 . 4.360 2.221 2.129 2.427 . 0 0 "[ . 1]" 1
667 1 22 GLN HA 1 51 LEU MD2 1.800 . 6.400 4.138 3.853 4.377 . 0 0 "[ . 1]" 1
668 1 22 GLN QG 1 51 LEU MD2 1.800 . 5.555 3.050 2.106 4.097 . 0 0 "[ . 1]" 1
669 1 23 ILE MG 1 51 LEU HA 1.800 . 5.000 4.259 4.194 4.327 . 0 0 "[ . 1]" 1
670 1 24 GLY QA 1 51 LEU QB 1.800 . 7.700 2.770 2.533 3.053 . 0 0 "[ . 1]" 1
671 1 24 GLY QA 1 51 LEU MD1 1.800 . 7.850 4.217 3.684 4.828 . 0 0 "[ . 1]" 1
672 1 24 GLY QA 1 51 LEU MD2 1.800 . 5.555 3.448 3.117 3.769 . 0 0 "[ . 1]" 1
673 1 24 GLY QA 1 51 LEU HG 1.800 . 6.300 2.802 2.113 3.650 . 0 0 "[ . 1]" 1
674 1 49 HIS HA 1 51 LEU MD2 1.800 . 6.400 4.908 4.571 5.246 . 0 0 "[ . 1]" 1
675 1 50 VAL HA 1 51 LEU QB 1.800 . 4.396 3.878 3.853 3.899 . 0 0 "[ . 1]" 1
676 1 50 VAL HA 1 51 LEU MD2 1.800 . 4.360 3.296 3.153 3.420 . 0 0 "[ . 1]" 1
677 1 51 LEU HA 1 51 LEU MD1 1.800 . 3.640 2.006 1.924 2.142 . 0 0 "[ . 1]" 1
678 1 51 LEU QB 1 51 LEU MD1 1.800 . 5.555 2.244 2.196 2.297 . 0 0 "[ . 1]" 1
679 1 51 LEU HA 1 51 LEU MD2 1.800 . 4.360 2.245 2.167 2.335 . 0 0 "[ . 1]" 1
680 1 51 LEU MD1 1 51 LEU MD2 1.800 . 5.552 1.921 1.837 2.009 . 0 0 "[ . 1]" 1
681 1 51 LEU H 1 51 LEU MD1 1.800 . 6.400 4.037 4.008 4.096 . 0 0 "[ . 1]" 1
682 1 25 LYS HA 1 52 GLN QB 1.800 . 6.300 4.900 4.514 5.426 . 0 0 "[ . 1]" 1
683 1 52 GLN HA 1 52 GLN QG 1.800 . 3.724 2.574 1.980 2.948 . 0 0 "[ . 1]" 1
684 1 55 PHE HA 1 55 PHE QD 1.800 . 6.300 2.622 2.222 2.959 . 0 0 "[ . 1]" 1
685 1 55 PHE HA 1 55 PHE QE 1.800 . 6.300 4.272 4.101 4.402 . 0 0 "[ . 1]" 1
686 1 54 ASN QB 1 57 ASP QB 1.800 . 7.700 1.766 1.708 1.859 0.092 2 0 "[ . 1]" 1
687 1 50 VAL MG2 1 58 LYS QE 1.800 . 7.850 4.119 2.182 5.500 . 0 0 "[ . 1]" 1
688 1 54 ASN QB 1 58 LYS HA 1.800 . 6.300 4.921 3.796 5.664 . 0 0 "[ . 1]" 1
689 1 58 LYS QB 1 58 LYS QG 1.800 . 7.700 2.079 2.028 2.108 . 0 0 "[ . 1]" 1
690 1 58 LYS QE 1 58 LYS QG 1.800 . 7.700 2.265 1.920 2.941 . 0 0 "[ . 1]" 1
691 1 56 ASP QB 1 59 LYS QB 1.800 . 5.558 4.357 4.269 4.557 . 0 0 "[ . 1]" 1
692 1 56 ASP HA 1 59 LYS QD 1.800 . 6.300 3.693 2.945 4.503 . 0 0 "[ . 1]" 1
693 1 59 LYS HA 1 59 LYS QG 1.800 . 4.396 2.384 2.097 2.518 . 0 0 "[ . 1]" 1
694 1 59 LYS QB 1 59 LYS QG 1.800 . 5.558 2.076 2.052 2.106 . 0 0 "[ . 1]" 1
695 1 59 LYS QD 1 59 LYS QG 1.800 . 4.802 2.077 2.028 2.108 . 0 0 "[ . 1]" 1
696 1 56 ASP HA 1 60 GLU QB 1.800 . 6.300 4.992 4.527 5.355 . 0 0 "[ . 1]" 1
697 1 59 LYS QD 1 60 GLU HA 1.800 . 6.300 4.098 2.590 5.587 . 0 0 "[ . 1]" 1
698 1 59 LYS QB 1 60 GLU QG 1.800 . 7.700 4.954 4.288 5.467 . 0 0 "[ . 1]" 1
699 1 60 GLU HA 1 60 GLU QG 1.800 . 4.396 2.158 1.983 2.461 . 0 0 "[ . 1]" 1
700 1 23 ILE MD 1 61 LEU MD2 1.800 . 4.688 2.959 2.684 3.188 . 0 0 "[ . 1]" 1
701 1 27 GLY QA 1 61 LEU MD1 1.800 . 7.850 3.463 3.127 3.844 . 0 0 "[ . 1]" 1
702 1 27 GLY QA 1 61 LEU MD2 1.800 . 5.555 2.658 1.963 3.100 . 0 0 "[ . 1]" 1
703 1 28 ILE MD 1 61 LEU HA 1.800 . 3.640 1.990 1.884 2.204 . 0 0 "[ . 1]" 1
704 1 28 ILE MD 1 61 LEU QB 1.800 . 5.555 2.078 1.895 2.244 . 0 0 "[ . 1]" 1
705 1 28 ILE MD 1 61 LEU MD2 1.800 . 4.688 2.601 1.852 2.934 . 0 0 "[ . 1]" 1
706 1 52 GLN QG 1 61 LEU MD2 1.800 . 5.555 3.130 1.753 3.863 0.047 1 0 "[ . 1]" 1
707 1 57 ASP QB 1 61 LEU MD1 1.800 . 5.555 3.303 2.691 3.785 . 0 0 "[ . 1]" 1
708 1 58 LYS HA 1 61 LEU QB 1.800 . 6.300 2.544 2.345 2.792 . 0 0 "[ . 1]" 1
709 1 61 LEU HA 1 61 LEU HG 1.800 . 3.300 2.054 1.955 2.194 . 0 0 "[ . 1]" 1
710 1 28 ILE MD 1 62 ALA HA 1.800 . 4.360 3.473 3.378 3.591 . 0 0 "[ . 1]" 1
711 1 59 LYS HA 1 62 ALA MB 1.800 . 4.396 2.790 2.514 3.019 . 0 0 "[ . 1]" 1
712 1 59 LYS QE 1 63 GLU QG 1.800 . 7.700 4.910 4.087 5.893 . 0 0 "[ . 1]" 1
713 1 60 GLU HA 1 63 GLU QG 1.800 . 4.396 3.751 3.440 3.841 . 0 0 "[ . 1]" 1
714 1 60 GLU QG 1 63 GLU QG 1.800 . 5.558 3.978 3.590 4.375 . 0 0 "[ . 1]" 1
715 1 62 ALA MB 1 63 GLU QG 1.800 . 7.700 4.817 4.360 5.076 . 0 0 "[ . 1]" 1
716 1 63 GLU HA 1 63 GLU QG 1.800 . 4.396 2.107 1.977 2.370 . 0 0 "[ . 1]" 1
717 1 63 GLU QB 1 63 GLU QG 1.800 . 4.802 2.053 2.034 2.086 . 0 0 "[ . 1]" 1
718 1 28 ILE MD 1 64 THR HA 1.800 . 6.400 4.291 4.175 4.513 . 0 0 "[ . 1]" 1
719 1 28 ILE MD 1 64 THR HB 1.800 . 4.360 1.872 1.818 1.949 . 0 0 "[ . 1]" 1
720 1 28 ILE MG 1 64 THR HB 1.800 . 4.360 3.431 3.342 3.523 . 0 0 "[ . 1]" 1
721 1 28 ILE HB 1 64 THR MG 1.800 . 6.400 2.666 2.053 2.981 . 0 0 "[ . 1]" 1
722 1 28 ILE MD 1 64 THR MG 1.800 . 4.688 2.540 2.303 2.827 . 0 0 "[ . 1]" 1
723 1 28 ILE QG 1 64 THR MG 1.800 . 5.552 3.957 3.614 4.048 . 0 0 "[ . 1]" 1
724 1 28 ILE MG 1 64 THR MG 1.800 . 5.552 2.494 2.110 2.825 . 0 0 "[ . 1]" 1
725 1 33 ILE MD 1 64 THR MG 1.800 . 5.552 3.342 2.887 3.614 . 0 0 "[ . 1]" 1
726 1 61 LEU HA 1 64 THR HB 1.800 . 3.300 3.091 2.882 3.272 . 0 0 "[ . 1]" 1
727 1 61 LEU HA 1 64 THR MG 1.800 . 6.400 4.386 4.230 4.535 . 0 0 "[ . 1]" 1
728 1 64 THR HA 1 64 THR MG 1.800 . 3.640 2.355 2.246 2.498 . 0 0 "[ . 1]" 1
729 1 28 ILE HA 1 65 LEU MD2 1.800 . 6.400 4.578 4.225 4.932 . 0 0 "[ . 1]" 1
730 1 28 ILE MD 1 65 LEU MD2 1.800 . 4.688 3.163 3.093 3.232 . 0 0 "[ . 1]" 1
731 1 28 ILE QG 1 65 LEU MD2 1.800 . 5.552 3.404 2.390 3.948 . 0 0 "[ . 1]" 1
732 1 28 ILE MG 1 65 LEU MD2 1.800 . 5.552 2.234 1.856 2.637 . 0 0 "[ . 1]" 1
733 1 28 ILE QG 1 65 LEU HG 1.800 . 4.360 2.804 2.259 3.485 . 0 0 "[ . 1]" 1
734 1 33 ILE HA 1 65 LEU MD2 1.800 . 6.400 3.745 3.516 3.963 . 0 0 "[ . 1]" 1
735 1 36 ILE MD 1 65 LEU MD1 1.800 . 5.552 3.405 2.911 3.732 . 0 0 "[ . 1]" 1
736 1 36 ILE MD 1 65 LEU MD2 1.800 . 4.688 2.373 2.146 2.572 . 0 0 "[ . 1]" 1
737 1 48 VAL MG1 1 65 LEU MD1 1.800 . 4.688 2.637 2.110 2.920 . 0 0 "[ . 1]" 1
738 1 61 LEU HA 1 65 LEU HG 1.800 . 5.000 4.991 4.912 5.038 0.038 7 0 "[ . 1]" 1
739 1 62 ALA HA 1 65 LEU QB 1.800 . 6.300 1.895 1.872 1.928 . 0 0 "[ . 1]" 1
740 1 64 THR MG 1 65 LEU HA 1.800 . 6.400 3.670 3.259 3.826 . 0 0 "[ . 1]" 1
741 1 64 THR HB 1 65 LEU MD2 1.800 . 6.400 4.882 4.570 5.316 . 0 0 "[ . 1]" 1
742 1 64 THR MG 1 65 LEU HG 1.800 . 6.400 3.753 3.356 4.435 . 0 0 "[ . 1]" 1
743 1 65 LEU HA 1 65 LEU MD1 1.800 . 4.360 3.746 3.702 3.796 . 0 0 "[ . 1]" 1
744 1 65 LEU QB 1 65 LEU MD1 1.800 . 5.555 2.074 2.015 2.112 . 0 0 "[ . 1]" 1
745 1 65 LEU HA 1 65 LEU MD2 1.800 . 4.360 2.102 1.898 2.527 . 0 0 "[ . 1]" 1
746 1 65 LEU MD1 1 65 LEU MD2 1.800 . 5.552 1.996 1.908 2.077 . 0 0 "[ . 1]" 1
747 1 63 GLU QG 1 67 GLU QG 1.800 . 4.802 3.453 3.302 3.596 . 0 0 "[ . 1]" 1
748 1 64 THR HA 1 67 GLU QB 1.800 . 4.396 2.835 2.605 3.014 . 0 0 "[ . 1]" 1
749 1 67 GLU HA 1 67 GLU QG 1.800 . 4.396 2.582 2.243 2.874 . 0 0 "[ . 1]" 1
750 1 33 ILE MG 1 68 ALA HA 1.800 . 6.400 4.806 4.023 5.235 . 0 0 "[ . 1]" 1
751 1 64 THR HB 1 68 ALA MB 1.800 . 6.300 4.984 4.701 5.153 . 0 0 "[ . 1]" 1
752 1 65 LEU HA 1 68 ALA MB 1.800 . 4.396 2.563 2.271 2.810 . 0 0 "[ . 1]" 1
753 1 33 ILE MG 1 69 THR HA 1.800 . 6.400 3.868 3.483 4.183 . 0 0 "[ . 1]" 1
754 1 33 ILE MG 1 69 THR HB 1.800 . 6.400 5.230 4.932 5.322 . 0 0 "[ . 1]" 1
755 1 36 ILE MG 1 69 THR HB 1.800 . 6.400 3.974 3.535 4.204 . 0 0 "[ . 1]" 1
756 1 36 ILE MD 1 69 THR MG 1.800 . 5.552 3.643 3.174 3.741 . 0 0 "[ . 1]" 1
757 1 36 ILE MG 1 69 THR MG 1.800 . 4.688 2.317 1.973 2.586 . 0 0 "[ . 1]" 1
758 1 37 ASP HA 1 69 THR MG 1.800 . 6.400 4.408 3.304 5.182 . 0 0 "[ . 1]" 1
759 1 65 LEU HA 1 69 THR MG 1.800 . 6.400 2.911 2.765 3.085 . 0 0 "[ . 1]" 1
760 1 65 LEU QB 1 69 THR MG 1.800 . 4.745 2.791 2.367 3.028 . 0 0 "[ . 1]" 1
761 1 68 ALA MB 1 69 THR HA 1.800 . 6.300 3.946 3.848 4.042 . 0 0 "[ . 1]" 1
762 1 69 THR HA 1 69 THR MG 1.800 . 3.640 2.291 2.200 2.386 . 0 0 "[ . 1]" 1
763 1 70 ARG HA 1 70 ARG QD 1.800 . 6.300 3.686 3.268 4.012 . 0 0 "[ . 1]" 1
764 1 70 ARG QB 1 70 ARG QD 1.800 . 4.802 2.085 1.913 2.400 . 0 0 "[ . 1]" 1
765 1 70 ARG HA 1 70 ARG QG 1.800 . 4.396 2.091 1.936 2.274 . 0 0 "[ . 1]" 1
766 1 70 ARG QB 1 70 ARG QG 1.800 . 5.558 2.082 2.058 2.108 . 0 0 "[ . 1]" 1
767 1 70 ARG QD 1 70 ARG QG 1.800 . 4.802 2.083 2.033 2.114 . 0 0 "[ . 1]" 1
768 1 2 LEU HA 1 72 GLU QB 1.800 . 4.396 4.110 4.038 4.232 . 0 0 "[ . 1]" 1
769 1 2 LEU MD2 1 72 GLU QB 1.800 . 5.555 3.152 2.253 3.785 . 0 0 "[ . 1]" 1
770 1 2 LEU MD2 1 72 GLU QG 1.800 . 7.850 4.165 2.987 4.935 . 0 0 "[ . 1]" 1
771 1 2 LEU MD1 1 72 GLU QG 1.800 . 7.850 4.372 3.710 5.162 . 0 0 "[ . 1]" 1
772 1 66 SER QB 1 72 GLU HA 1.800 . 6.300 3.908 3.086 4.851 . 0 0 "[ . 1]" 1
773 1 71 SER HA 1 72 GLU HA 1.800 . 5.000 4.543 4.467 4.562 . 0 0 "[ . 1]" 1
774 1 72 GLU HA 1 72 GLU QG 1.800 . 6.300 2.300 2.015 2.759 . 0 0 "[ . 1]" 1
775 1 72 GLU QB 1 72 GLU QG 1.800 . 5.558 2.045 2.024 2.056 . 0 0 "[ . 1]" 1
776 1 66 SER QB 1 73 LEU QB 1.800 . 7.700 3.130 2.540 3.386 . 0 0 "[ . 1]" 1
777 1 66 SER QB 1 73 LEU MD1 1.800 . 7.850 3.573 3.045 3.971 . 0 0 "[ . 1]" 1
778 1 73 LEU QB 1 73 LEU MD1 1.800 . 5.555 2.027 1.972 2.075 . 0 0 "[ . 1]" 1
779 1 73 LEU HA 1 73 LEU MD2 1.800 . 4.360 1.969 1.852 1.998 . 0 0 "[ . 1]" 1
780 1 73 LEU HA 1 73 LEU HG 1.800 . 3.300 2.670 2.609 2.710 . 0 0 "[ . 1]" 1
781 1 2 LEU MD1 1 74 VAL HA 1.800 . 4.360 3.360 2.888 3.577 . 0 0 "[ . 1]" 1
782 1 2 LEU MD1 1 74 VAL MG1 1.800 . 5.552 1.828 1.591 3.671 0.209 10 0 "[ . 1]" 1
783 1 2 LEU MD2 1 74 VAL MG1 1.800 . 5.552 2.566 2.142 3.577 . 0 0 "[ . 1]" 1
784 1 7 LYS QD 1 74 VAL HA 1.800 . 6.300 3.615 2.654 4.057 . 0 0 "[ . 1]" 1
785 1 7 LYS QE 1 74 VAL HA 1.800 . 6.300 2.592 1.897 4.037 . 0 0 "[ . 1]" 1
786 1 7 LYS QE 1 74 VAL MG1 1.800 . 5.555 3.839 3.173 4.210 . 0 0 "[ . 1]" 1
787 1 7 LYS QG 1 74 VAL MG1 1.800 . 5.555 3.247 2.677 3.896 . 0 0 "[ . 1]" 1
788 1 7 LYS HA 1 74 VAL MG2 1.800 . 4.360 3.667 2.085 3.911 . 0 0 "[ . 1]" 1
789 1 7 LYS QG 1 74 VAL MG2 1.800 . 5.555 3.409 2.877 3.832 . 0 0 "[ . 1]" 1
790 1 10 LEU MD2 1 74 VAL MG1 1.800 . 4.688 2.712 2.273 2.922 . 0 0 "[ . 1]" 1
791 1 10 LEU QB 1 74 VAL MG2 1.800 . 7.850 2.688 2.082 2.905 . 0 0 "[ . 1]" 1
792 1 10 LEU MD2 1 74 VAL MG2 1.800 . 4.688 2.867 2.704 3.028 . 0 0 "[ . 1]" 1
793 1 11 ARG HA 1 74 VAL MG1 1.800 . 4.360 3.575 1.905 3.846 . 0 0 "[ . 1]" 1
794 1 11 ARG QB 1 74 VAL MG1 1.800 . 5.555 3.608 2.023 3.938 . 0 0 "[ . 1]" 1
795 1 11 ARG QB 1 74 VAL MG2 1.800 . 4.745 2.824 2.265 3.311 . 0 0 "[ . 1]" 1
796 1 74 VAL HA 1 74 VAL MG1 1.800 . 4.360 2.380 2.144 2.933 . 0 0 "[ . 1]" 1
797 1 74 VAL HA 1 74 VAL MG2 1.800 . 4.360 3.094 2.136 3.222 . 0 0 "[ . 1]" 1
798 1 74 VAL MG1 1 74 VAL MG2 1.800 . 4.688 1.970 1.880 2.019 . 0 0 "[ . 1]" 1
799 1 73 LEU MD1 1 75 GLN HA 1.800 . 4.360 3.620 3.548 3.735 . 0 0 "[ . 1]" 1
800 1 73 LEU MD2 1 75 GLN HA 1.800 . 6.400 3.127 2.936 3.228 . 0 0 "[ . 1]" 1
801 1 59 LYS QB 1 76 VAL MG2 1.800 . 5.555 3.773 3.653 3.885 . 0 0 "[ . 1]" 1
802 1 75 GLN QG 1 76 VAL HA 1.800 . 6.300 5.176 4.630 5.622 . 0 0 "[ . 1]" 1
803 1 75 GLN HA 1 76 VAL HB 1.800 . 3.300 3.696 3.652 3.747 0.447 7 0 "[ . 1]" 1
804 1 76 VAL HA 1 76 VAL MG1 1.800 . 6.400 2.803 2.690 2.942 . 0 0 "[ . 1]" 1
805 1 76 VAL HA 1 76 VAL MG2 1.800 . 4.360 2.045 1.926 2.177 . 0 0 "[ . 1]" 1
806 1 11 ARG QG 1 77 ILE QG 1.800 . 7.850 4.970 3.785 6.121 . 0 0 "[ . 1]" 1
807 1 76 VAL MG1 1 77 ILE HA 1.800 . 6.400 3.832 3.582 4.050 . 0 0 "[ . 1]" 1
808 1 76 VAL HA 1 77 ILE QG 1.800 . 6.400 4.359 3.844 5.379 . 0 0 "[ . 1]" 1
809 1 77 ILE HA 1 77 ILE MD 1.800 . 4.360 2.793 1.930 3.745 . 0 0 "[ . 1]" 1
810 1 77 ILE HA 1 77 ILE QG 1.800 . 4.360 2.529 2.221 3.357 . 0 0 "[ . 1]" 1
811 1 77 ILE MD 1 77 ILE QG 1.800 . 4.688 1.894 1.878 1.913 . 0 0 "[ . 1]" 1
812 1 77 ILE HA 1 77 ILE MG 1.800 . 4.360 2.563 2.431 2.752 . 0 0 "[ . 1]" 1
813 1 77 ILE MD 1 77 ILE MG 1.800 . 4.688 2.369 1.681 3.234 0.119 5 0 "[ . 1]" 1
814 1 77 ILE HA 1 78 GLY QA 1.800 . 6.300 3.995 3.968 4.023 . 0 0 "[ . 1]" 1
815 1 49 HIS HA 1 79 SER HA 1.800 . 5.000 5.049 4.982 5.169 0.169 3 0 "[ . 1]" 1
816 1 50 VAL MG2 1 79 SER HA 1.800 . 6.400 5.118 4.857 5.291 . 0 0 "[ . 1]" 1
817 1 50 VAL MG1 1 79 SER QB 1.800 . 7.850 5.192 3.921 5.813 . 0 0 "[ . 1]" 1
818 1 76 VAL MG1 1 79 SER HA 1.800 . 6.400 4.775 4.468 5.186 . 0 0 "[ . 1]" 1
819 1 19 PRO QD 1 80 MET ME 1.800 . 5.558 3.163 1.909 3.955 . 0 0 "[ . 1]" 1
820 1 19 PRO QG 1 80 MET ME 1.800 . 5.558 2.908 2.214 3.553 . 0 0 "[ . 1]" 1
821 1 49 HIS HA 1 80 MET HA 1.800 . 3.300 2.042 1.899 2.208 . 0 0 "[ . 1]" 1
822 1 50 VAL HB 1 80 MET HA 1.800 . 5.000 4.688 4.307 4.849 . 0 0 "[ . 1]" 1
823 1 50 VAL MG2 1 80 MET HA 1.800 . 6.400 4.121 3.593 5.472 . 0 0 "[ . 1]" 1
824 1 50 VAL H 1 80 MET HA 1.800 . 5.000 3.024 2.526 3.331 . 0 0 "[ . 1]" 1
825 1 76 VAL HA 1 80 MET QB 1.800 . 6.300 4.817 4.519 4.991 . 0 0 "[ . 1]" 1
826 1 77 ILE MG 1 80 MET QB 1.800 . 5.555 2.443 1.873 3.871 . 0 0 "[ . 1]" 1
827 1 77 ILE MG 1 80 MET QG 1.800 . 7.850 3.792 2.157 5.673 . 0 0 "[ . 1]" 1
828 1 80 MET HA 1 80 MET ME 1.800 . 6.300 4.395 3.978 4.570 . 0 0 "[ . 1]" 1
829 1 80 MET QB 1 80 MET ME 1.800 . 5.558 3.065 2.557 3.565 . 0 0 "[ . 1]" 1
830 1 80 MET HA 1 80 MET QG 1.800 . 6.300 2.211 2.100 2.417 . 0 0 "[ . 1]" 1
831 1 80 MET QB 1 80 MET QG 1.800 . 7.700 2.082 2.050 2.107 . 0 0 "[ . 1]" 1
832 1 80 MET ME 1 80 MET QG 1.800 . 4.802 1.996 1.895 2.172 . 0 0 "[ . 1]" 1
833 1 47 LYS HA 1 81 ILE HB 1.800 . 5.000 4.851 4.535 5.078 0.078 4 0 "[ . 1]" 1
834 1 48 VAL HB 1 81 ILE HB 1.800 . 3.300 2.068 1.927 2.400 . 0 0 "[ . 1]" 1
835 1 49 HIS HA 1 81 ILE MD 1.800 . 6.400 5.118 4.641 5.327 . 0 0 "[ . 1]" 1
836 1 50 VAL HB 1 81 ILE MD 1.800 . 4.360 3.130 1.870 3.556 . 0 0 "[ . 1]" 1
837 1 58 LYS QG 1 81 ILE MD 1.800 . 5.555 3.211 2.226 3.730 . 0 0 "[ . 1]" 1
838 1 58 LYS QE 1 81 ILE QG 1.800 . 7.850 4.310 1.806 5.853 . 0 0 "[ . 1]" 1
839 1 61 LEU QB 1 81 ILE MD 1.800 . 5.555 2.949 2.667 3.297 . 0 0 "[ . 1]" 1
840 1 62 ALA HA 1 81 ILE MD 1.800 . 4.360 2.932 2.449 3.338 . 0 0 "[ . 1]" 1
841 1 62 ALA MB 1 81 ILE MD 1.800 . 5.555 2.501 1.884 3.112 . 0 0 "[ . 1]" 1
842 1 62 ALA HA 1 81 ILE MG 1.800 . 4.360 3.256 2.836 3.539 . 0 0 "[ . 1]" 1
843 1 76 VAL HA 1 81 ILE HA 1.800 . 3.300 2.012 1.914 2.205 . 0 0 "[ . 1]" 1
844 1 76 VAL MG1 1 81 ILE HA 1.800 . 4.360 3.546 3.487 3.605 . 0 0 "[ . 1]" 1
845 1 76 VAL HA 1 81 ILE MD 1.800 . 6.400 4.937 3.084 5.303 . 0 0 "[ . 1]" 1
846 1 81 ILE HA 1 81 ILE MD 1.800 . 6.400 3.629 1.959 3.876 . 0 0 "[ . 1]" 1
847 1 81 ILE HB 1 81 ILE MD 1.800 . 3.640 2.417 2.150 3.189 . 0 0 "[ . 1]" 1
848 1 81 ILE HA 1 81 ILE QG 1.800 . 6.400 2.452 2.353 2.937 . 0 0 "[ . 1]" 1
849 1 81 ILE HA 1 81 ILE MG 1.800 . 4.360 2.409 2.295 2.460 . 0 0 "[ . 1]" 1
850 1 81 ILE MD 1 81 ILE MG 1.800 . 4.688 1.959 1.789 2.289 0.011 10 0 "[ . 1]" 1
851 1 11 ARG HA 1 82 VAL MG1 1.800 . 4.360 2.090 1.797 2.433 0.003 3 0 "[ . 1]" 1
852 1 14 ALA MB 1 82 VAL MG1 1.800 . 4.745 1.653 1.603 1.741 0.197 2 0 "[ . 1]" 1
853 1 14 ALA MB 1 82 VAL MG2 1.800 . 4.745 2.340 1.620 3.015 0.180 2 0 "[ . 1]" 1
854 1 47 LYS HA 1 82 VAL HA 1.800 . 3.300 2.576 2.277 2.894 . 0 0 "[ . 1]" 1
855 1 47 LYS QG 1 82 VAL HA 1.800 . 6.300 4.427 2.825 5.452 . 0 0 "[ . 1]" 1
856 1 47 LYS HA 1 82 VAL MG2 1.800 . 4.360 3.414 2.901 3.541 . 0 0 "[ . 1]" 1
857 1 75 GLN HA 1 82 VAL HB 1.800 . 5.000 3.993 3.750 4.912 . 0 0 "[ . 1]" 1
858 1 77 ILE QG 1 82 VAL MG2 1.800 . 8.000 2.300 1.821 3.224 . 0 0 "[ . 1]" 1
859 1 81 ILE MG 1 82 VAL H 1.800 . 6.400 2.622 2.374 2.830 . 0 0 "[ . 1]" 1
860 1 82 VAL HA 1 82 VAL MG1 1.800 . 4.360 2.323 2.256 2.433 . 0 0 "[ . 1]" 1
861 1 82 VAL HA 1 82 VAL MG2 1.800 . 4.360 2.393 2.342 2.441 . 0 0 "[ . 1]" 1
862 1 36 ILE MD 1 83 ILE MD 1.800 . 8.000 4.915 4.432 5.329 . 0 0 "[ . 1]" 1
863 1 46 ILE MD 1 83 ILE MD 1.800 . 4.688 2.690 2.501 2.870 . 0 0 "[ . 1]" 1
864 1 46 ILE MD 1 83 ILE MG 1.800 . 4.688 2.677 2.069 3.176 . 0 0 "[ . 1]" 1
865 1 46 ILE QG 1 83 ILE MG 1.800 . 5.552 3.480 2.906 4.067 . 0 0 "[ . 1]" 1
866 1 48 VAL HB 1 83 ILE MD 1.800 . 6.400 3.684 3.241 3.992 . 0 0 "[ . 1]" 1
867 1 48 VAL MG2 1 83 ILE MD 1.800 . 4.688 2.720 2.448 3.020 . 0 0 "[ . 1]" 1
868 1 62 ALA HA 1 83 ILE MD 1.800 . 6.400 3.609 3.422 3.851 . 0 0 "[ . 1]" 1
869 1 65 LEU MD1 1 83 ILE MD 1.800 . 5.552 3.347 2.923 3.689 . 0 0 "[ . 1]" 1
870 1 65 LEU MD2 1 83 ILE MD 1.800 . 5.552 3.699 3.414 3.846 . 0 0 "[ . 1]" 1
871 1 66 SER HA 1 83 ILE MD 1.800 . 6.400 2.878 2.449 3.207 . 0 0 "[ . 1]" 1
872 1 66 SER HA 1 83 ILE MG 1.800 . 4.360 2.795 2.305 3.007 . 0 0 "[ . 1]" 1
873 1 66 SER QB 1 83 ILE MG 1.800 . 5.555 3.565 2.897 3.838 . 0 0 "[ . 1]" 1
874 1 69 THR HB 1 83 ILE MD 1.800 . 6.400 3.924 3.674 4.201 . 0 0 "[ . 1]" 1
875 1 69 THR HB 1 83 ILE MG 1.800 . 4.360 3.501 3.366 3.596 . 0 0 "[ . 1]" 1
876 1 71 SER QB 1 83 ILE HB 1.800 . 6.300 3.770 3.450 3.986 . 0 0 "[ . 1]" 1
877 1 71 SER HA 1 83 ILE MG 1.800 . 6.400 3.824 3.719 3.919 . 0 0 "[ . 1]" 1
878 1 71 SER QB 1 83 ILE MG 1.800 . 7.850 1.742 1.635 1.822 0.165 8 0 "[ . 1]" 1
879 1 72 GLU HA 1 83 ILE MG 1.800 . 4.360 3.555 3.377 3.636 . 0 0 "[ . 1]" 1
880 1 73 LEU HA 1 83 ILE HA 1.800 . 5.000 2.116 1.945 2.511 . 0 0 "[ . 1]" 1
881 1 73 LEU HG 1 83 ILE HA 1.800 . 5.000 4.317 3.995 4.802 . 0 0 "[ . 1]" 1
882 1 73 LEU HG 1 83 ILE MD 1.800 . 3.640 2.939 2.850 3.062 . 0 0 "[ . 1]" 1
883 1 73 LEU HA 1 83 ILE MG 1.800 . 4.360 2.788 2.376 3.048 . 0 0 "[ . 1]" 1
884 1 74 VAL MG1 1 83 ILE HA 1.800 . 4.360 3.472 3.267 3.812 . 0 0 "[ . 1]" 1
885 1 74 VAL MG2 1 83 ILE HA 1.800 . 4.360 3.160 2.696 3.620 . 0 0 "[ . 1]" 1
886 1 82 VAL HA 1 83 ILE HB 1.800 . 5.000 4.705 4.613 4.757 . 0 0 "[ . 1]" 1
887 1 83 ILE HA 1 83 ILE MD 1.800 . 6.400 3.875 3.823 3.911 . 0 0 "[ . 1]" 1
888 1 83 ILE HB 1 83 ILE MD 1.800 . 4.360 2.256 2.168 2.363 . 0 0 "[ . 1]" 1
889 1 83 ILE HA 1 83 ILE MG 1.800 . 3.640 2.298 2.232 2.392 . 0 0 "[ . 1]" 1
890 1 83 ILE MD 1 83 ILE MG 1.800 . 5.552 2.048 1.833 2.257 . 0 0 "[ . 1]" 1
891 1 2 LEU HA 1 84 TYR QD 1.800 . 6.300 4.154 3.731 4.652 . 0 0 "[ . 1]" 1
892 1 10 LEU MD1 1 84 TYR QB 1.800 . 7.850 1.864 1.726 2.036 0.074 5 0 "[ . 1]" 1
893 1 10 LEU MD2 1 84 TYR QB 1.800 . 7.850 2.453 1.965 2.758 . 0 0 "[ . 1]" 1
894 1 45 LEU HA 1 84 TYR HA 1.800 . 5.000 2.661 2.334 2.988 . 0 0 "[ . 1]" 1
895 1 45 LEU QB 1 84 TYR HA 1.800 . 6.300 4.380 4.145 4.756 . 0 0 "[ . 1]" 1
896 1 45 LEU MD1 1 84 TYR HA 1.800 . 6.400 2.928 2.712 3.118 . 0 0 "[ . 1]" 1
897 1 45 LEU MD2 1 84 TYR HA 1.800 . 6.400 5.302 5.132 5.399 . 0 0 "[ . 1]" 1
898 1 45 LEU HA 1 84 TYR QB 1.800 . 6.300 3.738 3.125 4.426 . 0 0 "[ . 1]" 1
899 1 45 LEU MD1 1 84 TYR QB 1.800 . 7.850 2.693 2.174 2.973 . 0 0 "[ . 1]" 1
900 1 45 LEU MD2 1 84 TYR QB 1.800 . 7.850 4.619 4.148 4.856 . 0 0 "[ . 1]" 1
901 1 45 LEU HA 1 84 TYR QD 1.800 . 6.300 3.200 2.551 3.810 . 0 0 "[ . 1]" 1
902 1 45 LEU MD2 1 84 TYR QD 1.800 . 7.850 4.909 4.262 5.284 . 0 0 "[ . 1]" 1
903 1 71 SER QB 1 84 TYR QB 1.800 . 7.700 4.498 4.083 5.484 . 0 0 "[ . 1]" 1
904 1 74 VAL MG2 1 84 TYR HA 1.800 . 6.400 4.884 3.991 5.271 . 0 0 "[ . 1]" 1
905 1 74 VAL MG2 1 84 TYR QB 1.800 . 7.850 3.422 1.959 3.819 . 0 0 "[ . 1]" 1
906 1 74 VAL MG1 1 84 TYR QB 1.800 . 5.555 2.420 1.978 3.598 . 0 0 "[ . 1]" 1
907 1 83 ILE HB 1 84 TYR HA 1.800 . 5.000 4.729 4.585 4.811 . 0 0 "[ . 1]" 1
908 1 84 TYR HA 1 84 TYR QD 1.800 . 6.300 2.498 2.258 2.808 . 0 0 "[ . 1]" 1
909 1 71 SER HA 1 85 ARG HA 1.800 . 5.000 2.235 1.927 2.403 . 0 0 "[ . 1]" 1
910 1 71 SER HA 1 85 ARG QB 1.800 . 4.396 3.858 3.600 4.043 . 0 0 "[ . 1]" 1
911 1 71 SER QB 1 85 ARG QB 1.800 . 7.700 2.507 1.813 3.210 . 0 0 "[ . 1]" 1
912 1 84 TYR QB 1 85 ARG HA 1.800 . 6.300 4.934 4.803 5.040 . 0 0 "[ . 1]" 1
913 1 85 ARG HA 1 85 ARG QD 1.800 . 6.300 3.357 2.100 3.936 . 0 0 "[ . 1]" 1
914 1 85 ARG HA 1 85 ARG QG 1.800 . 6.300 2.787 2.176 3.412 . 0 0 "[ . 1]" 1
915 1 86 GLU HA 1 86 GLU QG 1.800 . 4.396 3.308 3.298 3.332 . 0 0 "[ . 1]" 1
916 1 86 GLU QB 1 86 GLU QG 1.800 . 5.558 2.091 2.066 2.107 . 0 0 "[ . 1]" 1
917 1 86 GLU QG 1 87 SER HA 1.800 . 4.396 3.806 3.554 4.058 . 0 0 "[ . 1]" 1
918 1 87 SER QB 1 88 LYS HA 1.800 . 4.396 4.016 3.977 4.054 . 0 0 "[ . 1]" 1
919 1 87 SER HA 1 88 LYS QB 1.800 . 6.300 3.863 3.818 3.970 . 0 0 "[ . 1]" 1
920 1 88 LYS HA 1 88 LYS QG 1.800 . 4.396 2.154 1.953 2.618 . 0 0 "[ . 1]" 1
921 1 88 LYS QB 1 88 LYS QG 1.800 . 5.558 2.064 2.048 2.102 . 0 0 "[ . 1]" 1
922 1 88 LYS HA 1 89 GLU QB 1.800 . 6.300 5.093 4.993 5.313 . 0 0 "[ . 1]" 1
923 1 89 GLU HA 1 89 GLU QG 1.800 . 4.396 2.315 1.929 3.325 . 0 0 "[ . 1]" 1
924 1 89 GLU QB 1 89 GLU QG 1.800 . 5.558 2.082 2.050 2.109 . 0 0 "[ . 1]" 1
925 1 91 LYS HA 1 91 LYS QG 1.800 . 6.300 2.232 1.956 2.836 . 0 0 "[ . 1]" 1
926 1 91 LYS QE 1 91 LYS QG 1.800 . 7.700 2.133 1.926 2.390 . 0 0 "[ . 1]" 1
927 1 92 GLU HA 1 92 GLU QG 1.800 . 4.396 2.438 2.148 3.319 . 0 0 "[ . 1]" 1
928 1 92 GLU QB 1 92 GLU QG 1.800 . 5.558 2.077 2.028 2.108 . 0 0 "[ . 1]" 1
929 1 10 LEU MD1 1 93 ILE MD 1.800 . 4.688 2.928 2.770 3.109 . 0 0 "[ . 1]" 1
930 1 10 LEU MD2 1 93 ILE MD 1.800 . 8.000 2.958 2.018 4.012 . 0 0 "[ . 1]" 1
931 1 10 LEU MD1 1 93 ILE MG 1.800 . 4.688 2.851 2.415 3.096 . 0 0 "[ . 1]" 1
932 1 13 LEU MD1 1 93 ILE HA 1.800 . 6.400 3.800 2.457 5.201 . 0 0 "[ . 1]" 1
933 1 45 LEU HA 1 93 ILE MD 1.800 . 6.400 4.226 3.349 5.045 . 0 0 "[ . 1]" 1
934 1 45 LEU QB 1 93 ILE MD 1.800 . 5.555 2.795 1.802 4.040 . 0 0 "[ . 1]" 1
935 1 45 LEU MD1 1 93 ILE MD 1.800 . 8.000 3.981 3.269 5.046 . 0 0 "[ . 1]" 1
936 1 84 TYR HA 1 93 ILE MD 1.800 . 6.400 5.000 4.451 5.189 . 0 0 "[ . 1]" 1
937 1 84 TYR QD 1 93 ILE MD 1.800 . 5.555 3.071 2.670 3.271 . 0 0 "[ . 1]" 1
938 1 84 TYR QE 1 93 ILE MD 1.800 . 7.850 2.648 1.946 3.602 . 0 0 "[ . 1]" 1
939 1 84 TYR QE 1 93 ILE MG 1.800 . 7.850 2.235 1.916 2.640 . 0 0 "[ . 1]" 1
940 1 90 ASN HA 1 93 ILE HB 1.800 . 5.000 5.120 4.981 5.164 0.164 4 0 "[ . 1]" 1
941 1 92 GLU QB 1 93 ILE MD 1.800 . 7.850 4.858 4.517 5.330 . 0 0 "[ . 1]" 1
942 1 93 ILE HA 1 93 ILE MD 1.800 . 4.360 1.942 1.898 2.076 . 0 0 "[ . 1]" 1
943 1 93 ILE HB 1 93 ILE MD 1.800 . 4.360 3.202 3.191 3.214 . 0 0 "[ . 1]" 1
944 1 93 ILE HA 1 93 ILE QG 1.800 . 4.360 2.640 2.545 2.734 . 0 0 "[ . 1]" 1
945 1 93 ILE MD 1 93 ILE QG 1.800 . 5.552 1.901 1.882 1.918 . 0 0 "[ . 1]" 1
946 1 93 ILE HA 1 93 ILE MG 1.800 . 4.360 2.570 2.431 2.690 . 0 0 "[ . 1]" 1
947 1 93 ILE MD 1 93 ILE MG 1.800 . 4.688 1.908 1.805 2.000 . 0 0 "[ . 1]" 1
948 1 93 ILE QG 1 93 ILE MG 1.800 . 5.552 2.314 2.240 2.387 . 0 0 "[ . 1]" 1
949 1 93 ILE MG 1 94 GLU HA 1.800 . 6.400 3.714 3.546 3.927 . 0 0 "[ . 1]" 1
950 1 94 GLU HA 1 94 GLU QG 1.800 . 4.396 2.632 1.979 3.377 . 0 0 "[ . 1]" 1
951 1 94 GLU QB 1 94 GLU QG 1.800 . 4.802 2.052 2.045 2.084 . 0 0 "[ . 1]" 1
952 1 2 LEU HA 1 95 LEU MD1 1.800 . 6.400 4.361 3.474 5.405 . 0 0 "[ . 1]" 1
953 1 2 LEU MD1 1 95 LEU MD1 1.800 . 8.000 3.067 1.833 5.370 . 0 0 "[ . 1]" 1
954 1 6 GLN QG 1 95 LEU HA 1.800 . 6.300 3.101 1.897 4.965 . 0 0 "[ . 1]" 1
955 1 6 GLN HA 1 95 LEU MD1 1.800 . 6.400 3.450 1.758 4.491 0.042 9 0 "[ . 1]" 1
956 1 6 GLN QB 1 95 LEU MD1 1.800 . 7.850 2.649 1.892 3.637 . 0 0 "[ . 1]" 1
957 1 6 GLN HE22 1 95 LEU MD1 1.800 . 6.400 4.511 3.189 5.316 . 0 0 "[ . 1]" 1
958 1 6 GLN QG 1 95 LEU MD1 1.800 . 7.850 3.137 1.793 4.310 0.007 7 0 "[ . 1]" 1
959 1 6 GLN HA 1 95 LEU MD2 1.800 . 6.400 4.070 1.796 5.232 0.004 9 0 "[ . 1]" 1
960 1 6 GLN QB 1 95 LEU MD2 1.800 . 7.850 2.653 1.727 3.274 0.073 10 0 "[ . 1]" 1
961 1 6 GLN QG 1 95 LEU MD2 1.800 . 7.850 3.107 1.892 3.531 . 0 0 "[ . 1]" 1
962 1 6 GLN HA 1 95 LEU HG 1.800 . 5.000 3.852 3.146 5.034 0.034 7 0 "[ . 1]" 1
963 1 9 TYR QB 1 95 LEU HA 1.800 . 6.300 3.683 1.868 4.354 . 0 0 "[ . 1]" 1
964 1 10 LEU MD1 1 95 LEU QB 1.800 . 5.555 3.748 3.211 3.958 . 0 0 "[ . 1]" 1
965 1 93 ILE MG 1 95 LEU HA 1.800 . 6.400 4.848 4.516 5.335 . 0 0 "[ . 1]" 1
966 1 93 ILE MG 1 95 LEU QB 1.800 . 7.850 3.141 2.563 4.501 . 0 0 "[ . 1]" 1
967 1 94 GLU QB 1 95 LEU HA 1.800 . 5.396 3.996 3.856 4.596 . 0 0 "[ . 1]" 1
968 1 94 GLU QG 1 95 LEU HA 1.800 . 4.396 4.009 3.835 4.109 . 0 0 "[ . 1]" 1
969 1 95 LEU HA 1 95 LEU MD1 1.800 . 4.360 2.672 2.387 3.437 . 0 0 "[ . 1]" 1
970 1 95 LEU QB 1 95 LEU MD1 1.800 . 5.555 2.097 1.915 2.231 . 0 0 "[ . 1]" 1
971 1 95 LEU HA 1 95 LEU MD2 1.800 . 6.400 3.483 1.947 4.088 . 0 0 "[ . 1]" 1
972 1 95 LEU QB 1 95 LEU MD2 1.800 . 7.850 2.082 1.966 2.274 . 0 0 "[ . 1]" 1
973 1 95 LEU MD1 1 95 LEU MD2 1.800 . 5.552 2.032 1.952 2.083 . 0 0 "[ . 1]" 1
974 1 6 GLN HA 1 96 PRO QG 1.800 . 4.396 3.801 3.658 4.091 . 0 0 "[ . 1]" 1
975 1 6 GLN QG 1 96 PRO QG 1.800 . 7.700 3.142 1.809 4.385 . 0 0 "[ . 1]" 1
976 1 10 LEU MD1 1 96 PRO QD 1.800 . 7.850 5.169 3.923 5.621 . 0 0 "[ . 1]" 1
977 1 94 GLU HA 1 96 PRO QD 1.800 . 4.396 3.778 3.528 4.001 . 0 0 "[ . 1]" 1
978 1 95 LEU HA 1 96 PRO QD 1.800 . 4.396 2.576 2.032 3.569 . 0 0 "[ . 1]" 1
979 1 95 LEU QB 1 96 PRO QD 1.800 . 5.558 3.206 1.711 3.852 0.089 10 0 "[ . 1]" 1
980 1 95 LEU MD1 1 96 PRO QD 1.800 . 5.555 3.586 1.835 3.995 . 0 0 "[ . 1]" 1
981 1 95 LEU MD2 1 96 PRO QD 1.800 . 7.850 4.230 2.463 5.012 . 0 0 "[ . 1]" 1
982 1 96 PRO HA 1 96 PRO QD 1.800 . 6.300 3.414 3.317 3.519 . 0 0 "[ . 1]" 1
983 1 96 PRO HA 1 96 PRO QG 1.800 . 3.724 3.497 3.479 3.506 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 86
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 92.887
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0451
_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 THR 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.038 0.038 9 0 "[ . 1]"
1 5 LYS 0.464 0.128 10 0 "[ . 1]"
1 6 GLN 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.196 0.043 3 0 "[ . 1]"
1 8 ARG 0.941 0.123 2 0 "[ . 1]"
1 9 TYR 0.673 0.128 10 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 ARG 0.196 0.043 3 0 "[ . 1]"
1 12 SER 0.903 0.123 2 0 "[ . 1]"
1 13 LEU 0.210 0.060 7 0 "[ . 1]"
1 21 PHE 0.194 0.065 10 0 "[ . 1]"
1 23 ILE 1.146 0.259 5 0 "[ . 1]"
1 29 ASN 0.000 0.000 . 0 "[ . 1]"
1 30 GLU 0.127 0.042 5 0 "[ . 1]"
1 31 ASN 0.810 0.141 5 0 "[ . 1]"
1 32 MET 0.005 0.005 10 0 "[ . 1]"
1 33 ILE 0.285 0.041 4 0 "[ . 1]"
1 34 LYS 0.969 0.106 3 0 "[ . 1]"
1 35 GLN 0.810 0.141 5 0 "[ . 1]"
1 36 ILE 0.005 0.005 10 0 "[ . 1]"
1 37 ASP 0.285 0.041 4 0 "[ . 1]"
1 38 ASP 1.016 0.106 3 0 "[ . 1]"
1 39 THR 0.265 0.116 5 0 "[ . 1]"
1 40 LEU 0.000 0.000 . 0 "[ . 1]"
1 41 GLU 0.000 0.000 . 0 "[ . 1]"
1 42 ASN 0.174 0.047 10 0 "[ . 1]"
1 43 ARG 0.265 0.116 5 0 "[ . 1]"
1 44 GLU 0.177 0.088 10 0 "[ . 1]"
1 46 ILE 0.063 0.039 3 0 "[ . 1]"
1 48 VAL 0.158 0.047 9 0 "[ . 1]"
1 49 HIS 0.194 0.065 10 0 "[ . 1]"
1 50 VAL 0.000 0.000 . 0 "[ . 1]"
1 51 LEU 1.146 0.259 5 0 "[ . 1]"
1 54 ASN 0.226 0.053 8 0 "[ . 1]"
1 55 PHE 0.097 0.037 2 0 "[ . 1]"
1 56 ASP 0.381 0.059 9 0 "[ . 1]"
1 57 ASP 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 0.265 0.053 8 0 "[ . 1]"
1 59 LYS 0.165 0.055 1 0 "[ . 1]"
1 60 GLU 1.018 0.110 6 0 "[ . 1]"
1 61 LEU 0.013 0.008 7 0 "[ . 1]"
1 62 ALA 0.297 0.045 5 0 "[ . 1]"
1 63 GLU 0.746 0.088 7 0 "[ . 1]"
1 64 THR 0.637 0.110 6 0 "[ . 1]"
1 65 LEU 0.013 0.008 7 0 "[ . 1]"
1 66 SER 0.258 0.045 5 0 "[ . 1]"
1 67 GLU 0.678 0.088 7 0 "[ . 1]"
1 72 GLU 0.019 0.010 6 0 "[ . 1]"
1 74 VAL 0.000 0.000 . 0 "[ . 1]"
1 75 GLN 0.790 0.105 7 0 "[ . 1]"
1 77 ILE 0.028 0.014 6 0 "[ . 1]"
1 79 SER 0.000 0.000 . 0 "[ . 1]"
1 80 MET 0.028 0.014 6 0 "[ . 1]"
1 81 ILE 0.158 0.047 9 0 "[ . 1]"
1 82 VAL 0.790 0.105 7 0 "[ . 1]"
1 83 ILE 0.063 0.039 3 0 "[ . 1]"
1 84 TYR 0.019 0.010 6 0 "[ . 1]"
1 85 ARG 0.177 0.088 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 PHE O 1 49 HIS N 3.300 2.500 3.500 3.336 3.086 3.520 0.020 8 0 "[ . 1]" 2
2 1 21 PHE O 1 49 HIS H 2.300 . 2.500 2.424 2.238 2.565 0.065 10 0 "[ . 1]" 2
3 1 23 ILE O 1 51 LEU N 3.300 2.500 3.500 3.280 3.153 3.443 . 0 0 "[ . 1]" 2
4 1 23 ILE O 1 51 LEU H 2.300 . 2.500 2.603 2.417 2.759 0.259 5 0 "[ . 1]" 2
5 1 23 ILE N 1 49 HIS O 3.300 2.500 3.500 2.798 2.510 3.058 . 0 0 "[ . 1]" 2
6 1 23 ILE H 1 49 HIS O 2.300 . 2.500 1.859 1.541 2.151 . 0 0 "[ . 1]" 2
7 1 44 GLU O 1 85 ARG N 3.300 2.500 3.500 3.226 2.791 3.501 0.001 10 0 "[ . 1]" 2
8 1 44 GLU O 1 85 ARG H 2.300 . 2.500 2.424 1.961 2.588 0.088 10 0 "[ . 1]" 2
9 1 46 ILE O 1 83 ILE N 3.300 2.500 3.500 3.221 2.896 3.511 0.011 3 0 "[ . 1]" 2
10 1 46 ILE O 1 83 ILE H 2.300 . 2.500 2.255 1.929 2.539 0.039 3 0 "[ . 1]" 2
11 1 46 ILE N 1 83 ILE O 3.300 2.500 3.500 3.088 2.685 3.407 . 0 0 "[ . 1]" 2
12 1 46 ILE H 1 83 ILE O 2.300 . 2.500 2.122 1.713 2.465 . 0 0 "[ . 1]" 2
13 1 48 VAL O 1 81 ILE N 3.300 2.500 3.500 2.502 2.453 2.649 0.047 9 0 "[ . 1]" 2
14 1 48 VAL O 1 81 ILE H 2.300 . 2.500 1.603 1.535 1.837 . 0 0 "[ . 1]" 2
15 1 48 VAL N 1 81 ILE O 3.300 2.500 3.500 2.783 2.565 2.914 . 0 0 "[ . 1]" 2
16 1 48 VAL H 1 81 ILE O 2.300 . 2.500 1.914 1.669 2.055 . 0 0 "[ . 1]" 2
17 1 50 VAL N 1 79 SER O 3.300 2.500 3.500 2.827 2.631 3.189 . 0 0 "[ . 1]" 2
18 1 50 VAL H 1 79 SER O 2.300 . 2.500 1.974 1.708 2.408 . 0 0 "[ . 1]" 2
19 1 72 GLU O 1 84 TYR N 3.300 2.500 3.500 3.053 2.692 3.352 . 0 0 "[ . 1]" 2
20 1 72 GLU O 1 84 TYR H 2.300 . 2.500 2.112 1.768 2.483 . 0 0 "[ . 1]" 2
21 1 72 GLU N 1 84 TYR O 3.300 2.500 3.500 3.103 2.648 3.438 . 0 0 "[ . 1]" 2
22 1 72 GLU H 1 84 TYR O 2.300 . 2.500 2.192 1.784 2.510 0.010 6 0 "[ . 1]" 2
23 1 74 VAL N 1 82 VAL O 3.300 2.500 3.500 2.786 2.649 3.043 . 0 0 "[ . 1]" 2
24 1 74 VAL H 1 82 VAL O 2.300 . 2.500 2.088 1.848 2.273 . 0 0 "[ . 1]" 2
25 1 75 GLN O 1 82 VAL N 3.300 2.500 3.500 2.449 2.395 2.775 0.105 7 0 "[ . 1]" 2
26 1 75 GLN O 1 82 VAL H 2.300 . 2.500 1.600 1.544 1.918 . 0 0 "[ . 1]" 2
27 1 77 ILE O 1 80 MET N 3.300 2.500 3.500 2.561 2.486 2.848 0.014 6 0 "[ . 1]" 2
28 1 77 ILE O 1 80 MET H 2.300 . 2.500 1.679 1.569 2.187 . 0 0 "[ . 1]" 2
29 1 77 ILE N 1 80 MET O 3.300 2.500 3.500 2.529 2.490 2.622 0.010 9 0 "[ . 1]" 2
30 1 77 ILE H 1 80 MET O 2.300 . 2.500 1.890 1.674 2.168 . 0 0 "[ . 1]" 2
31 1 3 THR O 1 7 LYS N 3.300 2.500 3.500 2.819 2.539 2.993 . 0 0 "[ . 1]" 2
32 1 3 THR O 1 7 LYS H 2.300 . 2.500 1.907 1.637 2.210 . 0 0 "[ . 1]" 2
33 1 4 GLY O 1 8 ARG N 3.300 2.500 3.500 3.102 2.600 3.481 . 0 0 "[ . 1]" 2
34 1 4 GLY O 1 8 ARG H 2.300 . 2.500 2.179 1.642 2.538 0.038 9 0 "[ . 1]" 2
35 1 5 LYS O 1 9 TYR N 3.300 2.500 3.500 3.494 3.391 3.561 0.061 10 0 "[ . 1]" 2
36 1 5 LYS O 1 9 TYR H 2.300 . 2.500 2.529 2.428 2.628 0.128 10 0 "[ . 1]" 2
37 1 6 GLN O 1 10 LEU N 3.300 2.500 3.500 2.987 2.773 3.221 . 0 0 "[ . 1]" 2
38 1 6 GLN O 1 10 LEU H 2.300 . 2.500 2.040 1.846 2.260 . 0 0 "[ . 1]" 2
39 1 7 LYS O 1 11 ARG N 3.300 2.500 3.500 2.481 2.457 2.507 0.043 3 0 "[ . 1]" 2
40 1 7 LYS O 1 11 ARG H 2.300 . 2.500 1.596 1.558 1.670 . 0 0 "[ . 1]" 2
41 1 8 ARG O 1 12 SER N 3.300 2.500 3.500 3.466 3.332 3.531 0.031 9 0 "[ . 1]" 2
42 1 8 ARG O 1 12 SER H 2.300 . 2.500 2.582 2.518 2.623 0.123 2 0 "[ . 1]" 2
43 1 9 TYR O 1 13 LEU N 3.300 2.500 3.500 3.356 3.218 3.477 . 0 0 "[ . 1]" 2
44 1 9 TYR O 1 13 LEU H 2.300 . 2.500 2.484 2.366 2.560 0.060 7 0 "[ . 1]" 2
45 1 29 ASN O 1 33 ILE N 3.300 2.500 3.500 3.156 2.905 3.363 . 0 0 "[ . 1]" 2
46 1 29 ASN O 1 33 ILE H 2.300 . 2.500 2.239 2.040 2.414 . 0 0 "[ . 1]" 2
47 1 30 GLU O 1 34 LYS N 3.300 2.500 3.500 2.493 2.458 2.527 0.042 5 0 "[ . 1]" 2
48 1 30 GLU O 1 34 LYS H 2.300 . 2.500 1.604 1.582 1.636 . 0 0 "[ . 1]" 2
49 1 31 ASN O 1 35 GLN N 3.300 2.500 3.500 3.495 3.451 3.515 0.015 7 0 "[ . 1]" 2
50 1 31 ASN O 1 35 GLN H 2.300 . 2.500 2.574 2.537 2.641 0.141 5 0 "[ . 1]" 2
51 1 32 MET O 1 36 ILE N 3.300 2.500 3.500 2.901 2.495 3.380 0.005 10 0 "[ . 1]" 2
52 1 32 MET O 1 36 ILE H 2.300 . 2.500 1.928 1.546 2.402 . 0 0 "[ . 1]" 2
53 1 33 ILE O 1 37 ASP N 3.300 2.500 3.500 2.471 2.459 2.485 0.041 4 0 "[ . 1]" 2
54 1 33 ILE O 1 37 ASP H 2.300 . 2.500 1.601 1.528 1.687 . 0 0 "[ . 1]" 2
55 1 34 LYS O 1 38 ASP N 3.300 2.500 3.500 3.516 3.476 3.546 0.046 3 0 "[ . 1]" 2
56 1 34 LYS O 1 38 ASP H 2.300 . 2.500 2.565 2.527 2.606 0.106 3 0 "[ . 1]" 2
57 1 35 GLN O 1 39 THR N 3.300 2.500 3.500 2.930 2.779 3.286 . 0 0 "[ . 1]" 2
58 1 35 GLN O 1 39 THR H 2.300 . 2.500 1.977 1.807 2.342 . 0 0 "[ . 1]" 2
59 1 36 ILE O 1 40 LEU N 3.300 2.500 3.500 2.596 2.508 2.804 . 0 0 "[ . 1]" 2
60 1 36 ILE O 1 40 LEU H 2.300 . 2.500 1.676 1.602 1.844 . 0 0 "[ . 1]" 2
61 1 37 ASP O 1 41 GLU N 3.300 2.500 3.500 2.768 2.527 3.038 . 0 0 "[ . 1]" 2
62 1 37 ASP O 1 41 GLU H 2.300 . 2.500 1.944 1.640 2.350 . 0 0 "[ . 1]" 2
63 1 38 ASP O 1 42 ASN N 3.300 2.500 3.500 3.188 2.966 3.407 . 0 0 "[ . 1]" 2
64 1 38 ASP O 1 42 ASN H 2.300 . 2.500 2.474 2.275 2.547 0.047 10 0 "[ . 1]" 2
65 1 39 THR O 1 43 ARG N 3.300 2.500 3.500 3.325 3.049 3.516 0.016 10 0 "[ . 1]" 2
66 1 39 THR O 1 43 ARG H 2.300 . 2.500 2.461 2.221 2.616 0.116 5 0 "[ . 1]" 2
67 1 54 ASN O 1 58 LYS N 3.300 2.500 3.500 3.336 3.167 3.434 . 0 0 "[ . 1]" 2
68 1 54 ASN O 1 58 LYS H 2.300 . 2.500 2.502 2.380 2.553 0.053 8 0 "[ . 1]" 2
69 1 55 PHE O 1 59 LYS N 3.300 2.500 3.500 3.365 3.054 3.507 0.007 2 0 "[ . 1]" 2
70 1 55 PHE O 1 59 LYS H 2.300 . 2.500 2.431 2.103 2.537 0.037 2 0 "[ . 1]" 2
71 1 56 ASP O 1 60 GLU N 3.300 2.500 3.500 3.457 3.407 3.499 . 0 0 "[ . 1]" 2
72 1 56 ASP O 1 60 GLU H 2.300 . 2.500 2.538 2.510 2.559 0.059 9 0 "[ . 1]" 2
73 1 57 ASP O 1 61 LEU N 3.300 2.500 3.500 2.977 2.594 3.201 . 0 0 "[ . 1]" 2
74 1 57 ASP O 1 61 LEU H 2.300 . 2.500 2.048 1.644 2.273 . 0 0 "[ . 1]" 2
75 1 58 LYS O 1 62 ALA N 3.300 2.500 3.500 3.286 3.071 3.437 . 0 0 "[ . 1]" 2
76 1 58 LYS O 1 62 ALA H 2.300 . 2.500 2.388 2.259 2.539 0.039 2 0 "[ . 1]" 2
77 1 59 LYS O 1 63 GLU N 3.300 2.500 3.500 3.252 3.134 3.358 . 0 0 "[ . 1]" 2
78 1 59 LYS O 1 63 GLU H 2.300 . 2.500 2.429 2.311 2.555 0.055 1 0 "[ . 1]" 2
79 1 60 GLU O 1 64 THR N 3.300 2.500 3.500 3.391 3.352 3.428 . 0 0 "[ . 1]" 2
80 1 60 GLU O 1 64 THR H 2.300 . 2.500 2.564 2.533 2.610 0.110 6 0 "[ . 1]" 2
81 1 61 LEU O 1 65 LEU N 3.300 2.500 3.500 2.748 2.492 2.988 0.008 7 0 "[ . 1]" 2
82 1 61 LEU O 1 65 LEU H 2.300 . 2.500 1.821 1.513 2.131 . 0 0 "[ . 1]" 2
83 1 62 ALA O 1 66 SER N 3.300 2.500 3.500 2.474 2.455 2.496 0.045 5 0 "[ . 1]" 2
84 1 62 ALA O 1 66 SER H 2.300 . 2.500 1.611 1.556 1.655 . 0 0 "[ . 1]" 2
85 1 63 GLU O 1 67 GLU N 3.300 2.500 3.500 3.428 3.369 3.471 . 0 0 "[ . 1]" 2
86 1 63 GLU O 1 67 GLU H 2.300 . 2.500 2.568 2.536 2.588 0.088 7 0 "[ . 1]" 2
stop_
save_
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