NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
468854 |
2a7y   |
7000 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2a7y
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 666
_Distance_constraint_stats_list.Viol_count 814
_Distance_constraint_stats_list.Viol_total 1200.592
_Distance_constraint_stats_list.Viol_max 0.524
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0590
_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 4 MET 0.475 0.268 2 0 "[ . 1 . 2 .]"
1 5 HIS 0.030 0.030 25 0 "[ . 1 . 2 .]"
1 6 ALA 0.012 0.004 21 0 "[ . 1 . 2 .]"
1 7 LYS 0.456 0.233 15 0 "[ . 1 . 2 .]"
1 8 VAL 6.912 0.468 20 0 "[ . 1 . 2 .]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 ASP 2.501 0.086 2 0 "[ . 1 . 2 .]"
1 11 TYR 1.300 0.415 8 0 "[ . 1 . 2 .]"
1 12 LEU 1.066 0.268 2 0 "[ . 1 . 2 .]"
1 13 VAL 2.083 0.394 22 0 "[ . 1 . 2 .]"
1 14 VAL 0.724 0.394 22 0 "[ . 1 . 2 .]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 HIS 0.144 0.126 17 0 "[ . 1 . 2 .]"
1 23 ASP 0.155 0.137 1 0 "[ . 1 . 2 .]"
1 24 GLN 0.140 0.137 1 0 "[ . 1 . 2 .]"
1 25 HIS 0.019 0.011 12 0 "[ . 1 . 2 .]"
1 26 ALA 2.357 0.412 25 0 "[ . 1 . 2 .]"
1 27 GLU 0.609 0.054 5 0 "[ . 1 . 2 .]"
1 28 ILE 2.053 0.374 19 0 "[ . 1 . 2 .]"
1 29 ILE 9.825 0.468 20 0 "[ . 1 . 2 .]"
1 30 GLU 0.025 0.020 8 0 "[ . 1 . 2 .]"
1 31 VAL 3.311 0.501 24 1 "[ . 1 . 2 +.]"
1 32 ARG 0.072 0.019 20 0 "[ . 1 . 2 .]"
1 33 SER 0.445 0.302 10 0 "[ . 1 . 2 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 GLY 0.012 0.004 21 0 "[ . 1 . 2 .]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 PRO 0.125 0.027 6 0 "[ . 1 . 2 .]"
1 40 TYR 0.645 0.501 24 1 "[ . 1 . 2 +.]"
1 41 VAL 0.019 0.011 14 0 "[ . 1 . 2 .]"
1 42 VAL 1.702 0.374 19 0 "[ . 1 . 2 .]"
1 43 ARG 0.045 0.020 4 0 "[ . 1 . 2 .]"
1 44 TRP 1.701 0.412 25 0 "[ . 1 . 2 .]"
1 45 LEU 1.800 0.445 11 0 "[ . 1 . 2 .]"
1 46 VAL 4.902 0.445 11 0 "[ . 1 . 2 .]"
1 47 ASN 0.146 0.021 20 0 "[ . 1 . 2 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 HIS 0.163 0.020 11 0 "[ . 1 . 2 .]"
1 50 GLU 0.175 0.020 11 0 "[ . 1 . 2 .]"
1 51 THR 1.595 0.396 13 0 "[ . 1 . 2 .]"
1 52 THR 0.405 0.021 9 0 "[ . 1 . 2 .]"
1 53 VAL 1.624 0.405 7 0 "[ . 1 . 2 .]"
1 54 TYR 1.405 0.405 7 0 "[ . 1 . 2 .]"
1 55 PRO 1.254 0.216 6 0 "[ . 1 . 2 .]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 SER 0.154 0.046 12 0 "[ . 1 . 2 .]"
1 58 ASP 0.053 0.021 18 0 "[ . 1 . 2 .]"
1 59 ALA 0.200 0.046 12 0 "[ . 1 . 2 .]"
1 60 VAL 4.655 0.524 8 4 "[ *.* + 1 . 2 - .]"
1 61 VAL 5.151 0.524 8 4 "[ *.* + 1 . 2 - .]"
1 62 VAL 3.502 0.209 4 0 "[ . 1 . 2 .]"
1 63 THR 3.062 0.252 15 0 "[ . 1 . 2 .]"
1 64 ALA 0.755 0.252 15 0 "[ . 1 . 2 .]"
1 65 THR 0.788 0.078 23 0 "[ . 1 . 2 .]"
1 66 GLU 0.999 0.192 20 0 "[ . 1 . 2 .]"
1 67 HIS 0.029 0.021 24 0 "[ . 1 . 2 .]"
1 68 ALA 1.274 0.423 15 0 "[ . 1 . 2 .]"
1 69 GLU 5.640 0.458 22 0 "[ . 1 . 2 .]"
1 70 ALA 0.156 0.070 6 0 "[ . 1 . 2 .]"
1 71 GLU 0.015 0.015 7 0 "[ . 1 . 2 .]"
1 72 LYS 0.316 0.312 18 0 "[ . 1 . 2 .]"
1 73 ARG 0.345 0.221 14 0 "[ . 1 . 2 .]"
1 74 ALA 0.221 0.221 14 0 "[ . 1 . 2 .]"
1 75 ALA 0.063 0.063 19 0 "[ . 1 . 2 .]"
1 76 ALA 0.041 0.011 15 0 "[ . 1 . 2 .]"
1 77 ARG 0.198 0.032 2 0 "[ . 1 . 2 .]"
1 78 ALA 0.712 0.061 19 0 "[ . 1 . 2 .]"
1 79 GLY 0.475 0.032 2 0 "[ . 1 . 2 .]"
1 80 HIS 0.037 0.028 19 0 "[ . 1 . 2 .]"
1 81 ALA 0.031 0.029 24 0 "[ . 1 . 2 .]"
1 82 ALA 0.031 0.029 24 0 "[ . 1 . 2 .]"
1 83 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 HIS H 1 6 ALA H 1.800 . 5.000 4.235 3.595 4.395 . 0 0 "[ . 1 . 2 .]" 1
2 1 6 ALA H 1 7 LYS H 1.800 . 5.000 4.390 3.919 4.570 . 0 0 "[ . 1 . 2 .]" 1
3 1 7 LYS H 1 8 VAL H 1.800 . 5.500 4.373 4.236 4.452 . 0 0 "[ . 1 . 2 .]" 1
4 1 7 LYS H 1 10 ASP H 1.800 . 5.500 5.182 4.595 5.501 0.001 5 0 "[ . 1 . 2 .]" 1
5 1 8 VAL H 1 9 GLY H 1.800 . 5.000 4.603 4.499 4.690 . 0 0 "[ . 1 . 2 .]" 1
6 1 9 GLY H 1 10 ASP H 1.800 . 5.000 2.139 1.999 2.254 . 0 0 "[ . 1 . 2 .]" 1
7 1 10 ASP H 1 11 TYR H 1.800 . 5.000 4.366 4.263 4.520 . 0 0 "[ . 1 . 2 .]" 1
8 1 10 ASP H 1 28 ILE H 1.800 . 5.000 3.548 3.064 3.949 . 0 0 "[ . 1 . 2 .]" 1
9 1 11 TYR H 1 62 VAL H 1.800 . 5.000 2.980 2.426 3.255 . 0 0 "[ . 1 . 2 .]" 1
10 1 12 LEU H 1 13 VAL H 1.800 . 5.500 4.376 4.259 4.480 . 0 0 "[ . 1 . 2 .]" 1
11 1 12 LEU H 1 26 ALA H 1.800 . 5.000 2.575 2.224 2.896 . 0 0 "[ . 1 . 2 .]" 1
12 1 14 VAL H 1 24 GLN H 1.800 . 5.000 4.583 2.930 5.003 0.003 22 0 "[ . 1 . 2 .]" 1
13 1 13 VAL H 1 60 VAL H 1.800 . 5.000 2.863 2.250 3.426 . 0 0 "[ . 1 . 2 .]" 1
14 1 27 GLU H 1 43 ARG H 1.800 . 5.000 2.848 2.268 4.132 . 0 0 "[ . 1 . 2 .]" 1
15 1 29 ILE H 1 30 GLU H 1.800 . 5.000 2.008 1.905 2.112 . 0 0 "[ . 1 . 2 .]" 1
16 1 31 VAL H 1 32 ARG H 1.800 . 5.500 4.131 3.799 4.513 . 0 0 "[ . 1 . 2 .]" 1
17 1 30 GLU H 1 41 VAL H 1.800 . 5.000 4.043 3.791 4.317 . 0 0 "[ . 1 . 2 .]" 1
18 1 32 ARG H 1 33 SER H 1.800 . 4.500 2.754 2.083 3.840 . 0 0 "[ . 1 . 2 .]" 1
19 1 35 ASP H 1 36 GLY H 1.800 . 4.500 2.487 2.106 3.506 . 0 0 "[ . 1 . 2 .]" 1
20 1 36 GLY H 1 37 SER H 1.800 . 5.000 2.806 1.855 4.475 . 0 0 "[ . 1 . 2 .]" 1
21 1 40 TYR H 1 41 VAL H 1.800 . 5.500 4.430 4.370 4.525 . 0 0 "[ . 1 . 2 .]" 1
22 1 40 TYR H 1 53 VAL H 1.800 . 5.000 3.326 2.885 3.840 . 0 0 "[ . 1 . 2 .]" 1
23 1 41 VAL H 1 42 VAL H 1.800 . 5.500 4.217 4.054 4.392 . 0 0 "[ . 1 . 2 .]" 1
24 1 42 VAL H 1 51 THR H 1.800 . 4.500 3.384 2.918 3.953 . 0 0 "[ . 1 . 2 .]" 1
25 1 42 VAL H 1 43 ARG H 1.800 . 5.500 4.377 4.249 4.484 . 0 0 "[ . 1 . 2 .]" 1
26 1 46 VAL H 1 47 ASN H 1.800 . 4.500 2.528 2.218 2.717 . 0 0 "[ . 1 . 2 .]" 1
27 1 47 ASN H 1 48 GLY H 1.800 . 4.500 2.635 2.113 3.027 . 0 0 "[ . 1 . 2 .]" 1
28 1 47 ASN H 1 47 ASN HD21 1.800 . 6.000 2.332 1.987 2.728 . 0 0 "[ . 1 . 2 .]" 1
29 1 47 ASN H 1 47 ASN HD22 1.800 . 6.000 3.736 3.285 4.298 . 0 0 "[ . 1 . 2 .]" 1
30 1 48 GLY H 1 49 HIS H 1.800 . 4.500 2.360 1.993 3.134 . 0 0 "[ . 1 . 2 .]" 1
31 1 44 TRP H 1 48 GLY H 1.800 . 5.500 4.711 4.363 5.238 . 0 0 "[ . 1 . 2 .]" 1
32 1 49 HIS H 1 50 GLU H 1.800 . 5.000 4.388 4.127 4.515 . 0 0 "[ . 1 . 2 .]" 1
33 1 44 TRP H 1 49 HIS H 1.800 . 5.000 3.465 2.910 4.830 . 0 0 "[ . 1 . 2 .]" 1
34 1 50 GLU H 1 51 THR H 1.800 . 5.000 4.323 4.087 4.566 . 0 0 "[ . 1 . 2 .]" 1
35 1 51 THR H 1 52 THR H 1.800 . 5.000 4.358 4.320 4.442 . 0 0 "[ . 1 . 2 .]" 1
36 1 57 SER H 1 58 ASP H 1.800 . 5.000 4.177 1.998 4.624 . 0 0 "[ . 1 . 2 .]" 1
37 1 58 ASP H 1 59 ALA H 1.800 . 3.500 2.712 2.330 3.511 0.011 4 0 "[ . 1 . 2 .]" 1
38 1 59 ALA H 1 60 VAL H 1.800 . 5.000 4.444 4.045 4.576 . 0 0 "[ . 1 . 2 .]" 1
39 1 60 VAL H 1 61 VAL H 1.800 . 5.500 4.417 4.284 4.556 . 0 0 "[ . 1 . 2 .]" 1
40 1 61 VAL H 1 62 VAL H 1.800 . 5.000 4.336 4.181 4.523 . 0 0 "[ . 1 . 2 .]" 1
41 1 62 VAL H 1 63 THR H 1.800 . 5.000 4.362 4.229 4.465 . 0 0 "[ . 1 . 2 .]" 1
42 1 63 THR H 1 64 ALA H 1.800 . 5.000 4.333 4.228 4.561 . 0 0 "[ . 1 . 2 .]" 1
43 1 64 ALA H 1 65 THR H 1.800 . 5.000 2.966 2.813 3.125 . 0 0 "[ . 1 . 2 .]" 1
44 1 65 THR H 1 66 GLU H 1.800 . 3.000 2.658 2.337 2.908 . 0 0 "[ . 1 . 2 .]" 1
45 1 66 GLU H 1 67 HIS H 1.800 . 3.000 2.586 2.385 2.963 . 0 0 "[ . 1 . 2 .]" 1
46 1 66 GLU H 1 68 ALA H 1.800 . 5.000 4.540 3.752 4.764 . 0 0 "[ . 1 . 2 .]" 1
47 1 67 HIS H 1 68 ALA H 1.800 . 3.000 2.738 2.547 2.979 . 0 0 "[ . 1 . 2 .]" 1
48 1 68 ALA H 1 69 GLU H 1.800 . 3.000 3.004 2.837 3.028 0.028 6 0 "[ . 1 . 2 .]" 1
49 1 69 GLU H 1 70 ALA H 1.800 . 3.000 2.738 2.581 2.894 . 0 0 "[ . 1 . 2 .]" 1
50 1 70 ALA H 1 71 GLU H 1.800 . 3.000 2.726 2.471 2.946 . 0 0 "[ . 1 . 2 .]" 1
51 1 70 ALA H 1 72 LYS H 1.800 . 5.000 4.396 4.192 4.715 . 0 0 "[ . 1 . 2 .]" 1
52 1 71 GLU H 1 72 LYS H 1.800 . 3.500 2.648 2.406 2.832 . 0 0 "[ . 1 . 2 .]" 1
53 1 72 LYS H 1 73 ARG H 1.800 . 3.500 2.957 2.693 3.133 . 0 0 "[ . 1 . 2 .]" 1
54 1 73 ARG H 1 74 ALA H 1.800 . 3.500 2.739 2.587 2.954 . 0 0 "[ . 1 . 2 .]" 1
55 1 73 ARG H 1 75 ALA H 1.800 . 5.000 4.281 4.071 4.954 . 0 0 "[ . 1 . 2 .]" 1
56 1 74 ALA H 1 75 ALA H 1.800 . 3.000 2.668 2.459 2.955 . 0 0 "[ . 1 . 2 .]" 1
57 1 75 ALA H 1 76 ALA H 1.800 . 3.000 2.534 2.386 2.796 . 0 0 "[ . 1 . 2 .]" 1
58 1 76 ALA H 1 77 ARG H 1.800 . 3.000 2.765 2.597 2.994 . 0 0 "[ . 1 . 2 .]" 1
59 1 76 ALA H 1 78 ALA H 1.800 . 4.500 4.363 4.000 4.511 0.011 15 0 "[ . 1 . 2 .]" 1
60 1 77 ARG H 1 78 ALA H 1.800 . 3.000 2.666 2.433 2.935 . 0 0 "[ . 1 . 2 .]" 1
61 1 77 ARG H 1 79 GLY H 1.800 . 4.500 4.451 3.964 4.532 0.032 2 0 "[ . 1 . 2 .]" 1
62 1 78 ALA H 1 79 GLY H 1.800 . 3.000 2.923 2.633 3.006 0.006 14 0 "[ . 1 . 2 .]" 1
63 1 79 GLY H 1 80 HIS H 1.800 . 3.500 2.948 2.271 3.528 0.028 19 0 "[ . 1 . 2 .]" 1
64 1 80 HIS H 1 81 ALA H 1.800 . 5.500 2.486 1.856 4.112 . 0 0 "[ . 1 . 2 .]" 1
65 1 81 ALA H 1 82 ALA H 1.800 . 5.000 2.973 1.798 4.338 0.002 19 0 "[ . 1 . 2 .]" 1
66 1 4 MET HA 1 5 HIS H 1.800 . 3.000 2.351 2.134 2.818 . 0 0 "[ . 1 . 2 .]" 1
67 1 4 MET QB 1 5 HIS H 1.800 . 6.000 3.098 1.770 3.939 0.030 25 0 "[ . 1 . 2 .]" 1
68 1 4 MET HG3 1 5 HIS H 1.800 . 6.000 3.796 2.565 4.734 . 0 0 "[ . 1 . 2 .]" 1
69 1 4 MET HG2 1 5 HIS H 1.800 . 6.000 3.429 1.854 4.818 . 0 0 "[ . 1 . 2 .]" 1
70 1 5 HIS HB3 1 6 ALA H 1.800 . 6.000 3.650 2.436 4.400 . 0 0 "[ . 1 . 2 .]" 1
71 1 5 HIS HB2 1 6 ALA H 1.800 . 6.000 4.022 2.945 4.525 . 0 0 "[ . 1 . 2 .]" 1
72 1 5 HIS HA 1 6 ALA H 1.800 . 4.500 2.207 2.109 2.452 . 0 0 "[ . 1 . 2 .]" 1
73 1 6 ALA H 1 6 ALA MB 1.800 . 6.000 2.523 2.332 2.738 . 0 0 "[ . 1 . 2 .]" 1
74 1 6 ALA H 1 36 GLY HA3 1.800 . 5.000 3.863 2.634 5.004 0.004 21 0 "[ . 1 . 2 .]" 1
75 1 6 ALA H 1 36 GLY HA2 1.800 . 5.000 3.731 2.533 4.798 . 0 0 "[ . 1 . 2 .]" 1
76 1 6 ALA H 1 31 VAL MG1 1.800 . 6.500 4.312 3.852 5.116 . 0 0 "[ . 1 . 2 .]" 1
77 1 7 LYS H 1 7 LYS HG3 1.800 . 5.000 3.999 2.482 5.004 0.004 18 0 "[ . 1 . 2 .]" 1
78 1 7 LYS H 1 7 LYS HG2 1.800 . 5.000 4.013 2.321 4.994 . 0 0 "[ . 1 . 2 .]" 1
79 1 7 LYS H 1 28 ILE MD 1.800 . 6.500 3.166 2.233 4.474 . 0 0 "[ . 1 . 2 .]" 1
80 1 7 LYS H 1 10 ASP QB 1.800 . 6.000 3.123 2.277 3.851 . 0 0 "[ . 1 . 2 .]" 1
81 1 7 LYS HG3 1 8 VAL H 1.800 . 6.000 4.064 1.795 5.491 0.005 5 0 "[ . 1 . 2 .]" 1
82 1 7 LYS HG2 1 8 VAL H 1.800 . 6.000 3.676 2.003 5.075 . 0 0 "[ . 1 . 2 .]" 1
83 1 7 LYS HA 1 8 VAL H 1.800 . 2.500 2.357 2.174 2.511 0.011 15 0 "[ . 1 . 2 .]" 1
84 1 8 VAL H 1 8 VAL HA 1.800 . 3.000 2.874 2.818 2.941 . 0 0 "[ . 1 . 2 .]" 1
85 1 8 VAL H 1 8 VAL HB 1.800 . 3.000 2.709 2.307 2.946 . 0 0 "[ . 1 . 2 .]" 1
86 1 8 VAL H 1 8 VAL MG2 1.800 . 6.500 3.613 2.402 3.796 . 0 0 "[ . 1 . 2 .]" 1
87 1 8 VAL H 1 31 VAL MG2 1.800 . 6.500 2.829 2.006 3.747 . 0 0 "[ . 1 . 2 .]" 1
88 1 8 VAL HA 1 9 GLY H 1.800 . 2.500 2.261 2.181 2.377 . 0 0 "[ . 1 . 2 .]" 1
89 1 8 VAL HB 1 9 GLY H 1.800 . 5.500 3.983 3.841 4.200 . 0 0 "[ . 1 . 2 .]" 1
90 1 8 VAL MG2 1 9 GLY H 1.800 . 6.500 2.445 1.997 3.784 . 0 0 "[ . 1 . 2 .]" 1
91 1 9 GLY H 1 28 ILE MG 1.800 . 6.500 4.674 3.830 5.479 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 VAL HA 1 10 ASP H 1.800 . 3.000 3.031 3.015 3.051 0.051 19 0 "[ . 1 . 2 .]" 1
93 1 9 GLY HA3 1 10 ASP H 1.800 . 3.800 3.324 3.244 3.386 . 0 0 "[ . 1 . 2 .]" 1
94 1 9 GLY HA2 1 10 ASP H 1.800 . 3.800 3.060 2.883 3.225 . 0 0 "[ . 1 . 2 .]" 1
95 1 10 ASP H 1 28 ILE MD 1.800 . 6.500 4.327 3.696 4.799 . 0 0 "[ . 1 . 2 .]" 1
96 1 10 ASP H 1 28 ILE MG 1.800 . 6.500 4.808 4.215 5.428 . 0 0 "[ . 1 . 2 .]" 1
97 1 11 TYR H 1 61 VAL QG 1.800 . 7.400 3.123 2.370 4.441 . 0 0 "[ . 1 . 2 .]" 1
98 1 10 ASP HA 1 11 TYR H 1.800 . 2.500 2.494 2.336 2.546 0.046 12 0 "[ . 1 . 2 .]" 1
99 1 10 ASP QB 1 11 TYR H 1.800 . 4.000 2.229 1.840 3.314 . 0 0 "[ . 1 . 2 .]" 1
100 1 12 LEU H 1 12 LEU MD1 1.800 . 6.400 4.521 4.346 4.700 . 0 0 "[ . 1 . 2 .]" 1
101 1 12 LEU H 1 12 LEU MD2 1.800 . 6.400 3.986 3.827 4.198 . 0 0 "[ . 1 . 2 .]" 1
102 1 11 TYR HB3 1 12 LEU H 1.800 . 6.000 2.501 2.058 3.251 . 0 0 "[ . 1 . 2 .]" 1
103 1 11 TYR HB2 1 12 LEU H 1.800 . 6.000 3.692 3.189 4.297 . 0 0 "[ . 1 . 2 .]" 1
104 1 11 TYR HA 1 12 LEU H 1.800 . 2.500 2.377 2.136 2.520 0.020 15 0 "[ . 1 . 2 .]" 1
105 1 12 LEU H 1 27 GLU HA 1.800 . 5.000 3.524 3.069 3.893 . 0 0 "[ . 1 . 2 .]" 1
106 1 12 LEU H 1 26 ALA MB 1.800 . 7.500 3.972 3.641 4.523 . 0 0 "[ . 1 . 2 .]" 1
107 1 12 LEU H 1 28 ILE MD 1.800 . 7.500 4.227 3.361 5.752 . 0 0 "[ . 1 . 2 .]" 1
108 1 13 VAL H 1 13 VAL MG1 1.800 . 6.500 3.762 2.534 4.002 . 0 0 "[ . 1 . 2 .]" 1
109 1 13 VAL H 1 13 VAL MG2 1.800 . 6.500 3.068 2.628 3.950 . 0 0 "[ . 1 . 2 .]" 1
110 1 12 LEU HA 1 13 VAL H 1.800 . 2.500 2.153 2.082 2.264 . 0 0 "[ . 1 . 2 .]" 1
111 1 12 LEU MD1 1 13 VAL H 1.800 . 5.900 4.217 3.664 4.449 . 0 0 "[ . 1 . 2 .]" 1
112 1 12 LEU MD2 1 13 VAL H 1.800 . 5.900 2.705 1.737 3.110 0.063 2 0 "[ . 1 . 2 .]" 1
113 1 13 VAL H 1 61 VAL HA 1.800 . 5.000 3.691 2.979 4.260 . 0 0 "[ . 1 . 2 .]" 1
114 1 14 VAL H 1 14 VAL HB 1.800 . 4.000 2.960 2.404 3.939 . 0 0 "[ . 1 . 2 .]" 1
115 1 14 VAL H 1 14 VAL QG 1.800 . 6.800 2.622 2.035 3.038 . 0 0 "[ . 1 . 2 .]" 1
116 1 13 VAL HA 1 14 VAL H 1.800 . 2.500 2.335 2.213 2.513 0.013 22 0 "[ . 1 . 2 .]" 1
117 1 13 VAL HB 1 14 VAL H 1.800 . 5.000 3.877 2.999 4.318 . 0 0 "[ . 1 . 2 .]" 1
118 1 13 VAL MG1 1 14 VAL H 1.800 . 6.500 2.193 1.406 2.775 0.394 22 0 "[ . 1 . 2 .]" 1
119 1 13 VAL MG2 1 14 VAL H 1.800 . 6.500 3.675 1.876 4.214 . 0 0 "[ . 1 . 2 .]" 1
120 1 14 VAL H 1 25 HIS HA 1.800 . 5.000 4.757 4.370 5.011 0.011 12 0 "[ . 1 . 2 .]" 1
121 1 14 VAL HB 1 15 LYS H 1.800 . 5.000 3.854 2.392 4.418 . 0 0 "[ . 1 . 2 .]" 1
122 1 14 VAL HA 1 15 LYS H 1.800 . 2.500 2.253 2.109 2.470 . 0 0 "[ . 1 . 2 .]" 1
123 1 15 LYS H 1 59 ALA HA 1.800 . 5.000 4.222 2.928 4.914 . 0 0 "[ . 1 . 2 .]" 1
124 1 22 HIS HA 1 23 ASP H 1.800 . 2.500 2.217 2.091 2.514 0.014 11 0 "[ . 1 . 2 .]" 1
125 1 22 HIS HB3 1 23 ASP H 1.800 . 6.000 3.841 2.207 4.426 . 0 0 "[ . 1 . 2 .]" 1
126 1 22 HIS HB2 1 23 ASP H 1.800 . 6.000 4.067 3.296 4.518 . 0 0 "[ . 1 . 2 .]" 1
127 1 13 VAL MG1 1 23 ASP H 1.800 . 6.500 2.982 2.351 3.792 . 0 0 "[ . 1 . 2 .]" 1
128 1 23 ASP QB 1 24 GLN H 1.800 . 5.500 2.514 1.663 3.734 0.137 1 0 "[ . 1 . 2 .]" 1
129 1 13 VAL MG1 1 24 GLN H 1.800 . 6.500 4.838 3.882 5.302 . 0 0 "[ . 1 . 2 .]" 1
130 1 24 GLN HA 1 25 HIS H 1.800 . 5.000 2.232 2.165 2.360 . 0 0 "[ . 1 . 2 .]" 1
131 1 13 VAL MG2 1 26 ALA H 1.800 . 6.500 4.281 3.998 5.168 . 0 0 "[ . 1 . 2 .]" 1
132 1 26 ALA H 1 26 ALA MB 1.800 . 5.500 2.756 2.573 2.970 . 0 0 "[ . 1 . 2 .]" 1
133 1 25 HIS HA 1 26 ALA H 1.800 . 2.500 2.109 1.941 2.266 . 0 0 "[ . 1 . 2 .]" 1
134 1 25 HIS HB3 1 26 ALA H 1.800 . 6.000 3.676 2.626 4.208 . 0 0 "[ . 1 . 2 .]" 1
135 1 25 HIS HB2 1 26 ALA H 1.800 . 6.000 4.098 3.727 4.573 . 0 0 "[ . 1 . 2 .]" 1
136 1 26 ALA HA 1 27 GLU H 1.800 . 2.500 2.518 2.399 2.554 0.054 5 0 "[ . 1 . 2 .]" 1
137 1 26 ALA MB 1 27 GLU H 1.800 . 5.000 2.134 1.982 2.820 . 0 0 "[ . 1 . 2 .]" 1
138 1 27 GLU H 1 42 VAL MG1 1.800 . 6.500 3.291 2.547 3.978 . 0 0 "[ . 1 . 2 .]" 1
139 1 27 GLU H 1 44 TRP HA 1.800 . 5.000 3.684 2.776 4.357 . 0 0 "[ . 1 . 2 .]" 1
140 1 28 ILE H 1 28 ILE MG 1.800 . 6.500 3.613 2.698 3.832 . 0 0 "[ . 1 . 2 .]" 1
141 1 28 ILE H 1 28 ILE MD 1.800 . 6.500 3.575 3.390 3.738 . 0 0 "[ . 1 . 2 .]" 1
142 1 27 GLU HA 1 28 ILE H 1.800 . 2.500 2.092 1.971 2.209 . 0 0 "[ . 1 . 2 .]" 1
143 1 11 TYR HA 1 28 ILE H 1.800 . 5.000 2.728 2.227 3.314 . 0 0 "[ . 1 . 2 .]" 1
144 1 29 ILE H 1 29 ILE MD 1.800 . 6.500 1.898 1.398 2.792 0.402 16 0 "[ . 1 . 2 .]" 1
145 1 29 ILE H 1 29 ILE MG 1.800 . 6.500 2.810 2.360 3.345 . 0 0 "[ . 1 . 2 .]" 1
146 1 28 ILE HA 1 29 ILE H 1.800 . 3.000 2.122 1.966 2.191 . 0 0 "[ . 1 . 2 .]" 1
147 1 29 ILE H 1 42 VAL HA 1.800 . 5.000 2.953 2.518 3.618 . 0 0 "[ . 1 . 2 .]" 1
148 1 29 ILE H 1 42 VAL MG1 1.800 . 7.400 5.327 4.639 5.966 . 0 0 "[ . 1 . 2 .]" 1
149 1 29 ILE HA 1 30 GLU H 1.800 . 4.500 3.394 3.275 3.497 . 0 0 "[ . 1 . 2 .]" 1
150 1 28 ILE MG 1 30 GLU H 1.800 . 5.500 3.020 2.529 4.236 . 0 0 "[ . 1 . 2 .]" 1
151 1 28 ILE HA 1 30 GLU H 1.800 . 3.500 3.256 2.867 3.504 0.004 20 0 "[ . 1 . 2 .]" 1
152 1 29 ILE HB 1 30 GLU H 1.800 . 4.500 4.018 3.558 4.272 . 0 0 "[ . 1 . 2 .]" 1
153 1 29 ILE MD 1 30 GLU H 1.800 . 6.000 2.382 1.780 2.966 0.020 8 0 "[ . 1 . 2 .]" 1
154 1 29 ILE MG 1 30 GLU H 1.800 . 6.500 4.100 3.842 4.364 . 0 0 "[ . 1 . 2 .]" 1
155 1 30 GLU H 1 42 VAL HA 1.800 . 5.000 3.911 3.378 4.546 . 0 0 "[ . 1 . 2 .]" 1
156 1 30 GLU H 1 42 VAL MG2 1.800 . 6.500 4.537 3.912 5.250 . 0 0 "[ . 1 . 2 .]" 1
157 1 31 VAL H 1 31 VAL HB 1.800 . 3.500 2.712 2.509 2.907 . 0 0 "[ . 1 . 2 .]" 1
158 1 31 VAL H 1 31 VAL MG1 1.800 . 6.000 3.873 3.777 3.959 . 0 0 "[ . 1 . 2 .]" 1
159 1 31 VAL H 1 31 VAL MG2 1.800 . 5.500 2.610 2.234 3.082 . 0 0 "[ . 1 . 2 .]" 1
160 1 30 GLU HA 1 31 VAL H 1.800 . 4.500 2.165 2.081 2.328 . 0 0 "[ . 1 . 2 .]" 1
161 1 8 VAL MG2 1 31 VAL H 1.800 . 6.500 4.471 2.404 5.335 . 0 0 "[ . 1 . 2 .]" 1
162 1 32 ARG H 1 32 ARG QG 1.800 . 6.000 3.276 1.792 4.143 0.008 19 0 "[ . 1 . 2 .]" 1
163 1 31 VAL HA 1 32 ARG H 1.800 . 3.500 2.208 2.157 2.295 . 0 0 "[ . 1 . 2 .]" 1
164 1 31 VAL HB 1 32 ARG H 1.800 . 5.000 4.270 3.808 4.450 . 0 0 "[ . 1 . 2 .]" 1
165 1 31 VAL MG1 1 32 ARG H 1.800 . 6.500 3.027 2.360 3.312 . 0 0 "[ . 1 . 2 .]" 1
166 1 31 VAL MG2 1 32 ARG H 1.800 . 6.500 4.218 3.972 4.378 . 0 0 "[ . 1 . 2 .]" 1
167 1 32 ARG H 1 40 TYR HA 1.800 . 5.000 3.333 2.135 4.316 . 0 0 "[ . 1 . 2 .]" 1
168 1 32 ARG H 1 40 TYR QD 1.800 . 7.400 3.635 2.682 4.634 . 0 0 "[ . 1 . 2 .]" 1
169 1 32 ARG HA 1 33 SER H 1.800 . 3.500 3.120 2.280 3.519 0.019 20 0 "[ . 1 . 2 .]" 1
170 1 32 ARG HB3 1 33 SER H 1.800 . 5.000 3.795 2.282 4.531 . 0 0 "[ . 1 . 2 .]" 1
171 1 32 ARG HB2 1 33 SER H 1.800 . 5.000 3.895 2.542 4.631 . 0 0 "[ . 1 . 2 .]" 1
172 1 32 ARG QG 1 33 SER H 1.800 . 6.000 4.226 3.013 4.877 . 0 0 "[ . 1 . 2 .]" 1
173 1 31 VAL HB 1 33 SER H 1.800 . 5.000 4.224 3.378 5.001 0.001 23 0 "[ . 1 . 2 .]" 1
174 1 31 VAL MG2 1 33 SER H 1.800 . 6.500 4.808 4.294 5.466 . 0 0 "[ . 1 . 2 .]" 1
175 1 31 VAL MG1 1 33 SER H 1.800 . 5.500 2.299 1.498 3.158 0.302 10 0 "[ . 1 . 2 .]" 1
176 1 34 ALA MB 1 35 ASP H 1.800 . 5.000 2.759 1.813 3.672 . 0 0 "[ . 1 . 2 .]" 1
177 1 33 SER HB3 1 36 GLY H 1.800 . 6.000 3.521 1.893 5.964 . 0 0 "[ . 1 . 2 .]" 1
178 1 31 VAL MG1 1 36 GLY H 1.800 . 6.500 4.751 3.542 5.482 . 0 0 "[ . 1 . 2 .]" 1
179 1 36 GLY HA3 1 37 SER H 1.800 . 6.000 3.398 2.371 3.563 . 0 0 "[ . 1 . 2 .]" 1
180 1 36 GLY HA2 1 37 SER H 1.800 . 6.000 2.566 2.151 3.403 . 0 0 "[ . 1 . 2 .]" 1
181 1 31 VAL MG1 1 37 SER H 1.800 . 7.500 4.771 3.621 6.272 . 0 0 "[ . 1 . 2 .]" 1
182 1 39 PRO HA 1 40 TYR H 1.800 . 2.500 2.440 2.233 2.527 0.027 6 0 "[ . 1 . 2 .]" 1
183 1 39 PRO QB 1 40 TYR H 1.800 . 5.000 2.358 2.003 2.974 . 0 0 "[ . 1 . 2 .]" 1
184 1 38 PRO HA 1 40 TYR H 1.800 . 4.500 3.695 3.096 4.066 . 0 0 "[ . 1 . 2 .]" 1
185 1 41 VAL H 1 41 VAL HB 1.800 . 3.500 2.709 2.553 2.874 . 0 0 "[ . 1 . 2 .]" 1
186 1 40 TYR HA 1 41 VAL H 1.800 . 2.500 2.369 2.206 2.511 0.011 14 0 "[ . 1 . 2 .]" 1
187 1 40 TYR HB3 1 41 VAL H 1.800 . 4.500 2.638 2.211 3.122 . 0 0 "[ . 1 . 2 .]" 1
188 1 40 TYR HB2 1 41 VAL H 1.800 . 4.500 3.754 3.151 4.274 . 0 0 "[ . 1 . 2 .]" 1
189 1 28 ILE MG 1 41 VAL H 1.800 . 7.400 3.485 2.613 4.487 . 0 0 "[ . 1 . 2 .]" 1
190 1 42 VAL H 1 42 VAL MG1 1.800 . 5.500 2.977 2.695 3.895 . 0 0 "[ . 1 . 2 .]" 1
191 1 42 VAL H 1 42 VAL MG2 1.800 . 6.500 3.689 2.895 3.887 . 0 0 "[ . 1 . 2 .]" 1
192 1 41 VAL HA 1 42 VAL H 1.800 . 2.500 2.106 2.056 2.339 . 0 0 "[ . 1 . 2 .]" 1
193 1 41 VAL QG 1 42 VAL H 1.800 . 5.900 2.687 1.842 3.068 . 0 0 "[ . 1 . 2 .]" 1
194 1 42 VAL H 1 52 THR HA 1.800 . 5.000 2.898 2.365 3.210 . 0 0 "[ . 1 . 2 .]" 1
195 1 42 VAL HA 1 43 ARG H 1.800 . 2.500 2.349 2.046 2.520 0.020 4 0 "[ . 1 . 2 .]" 1
196 1 42 VAL MG1 1 43 ARG H 1.800 . 6.500 2.537 1.990 3.179 . 0 0 "[ . 1 . 2 .]" 1
197 1 42 VAL MG2 1 43 ARG H 1.800 . 6.500 2.599 2.038 3.937 . 0 0 "[ . 1 . 2 .]" 1
198 1 26 ALA MB 1 43 ARG H 1.800 . 6.500 3.171 2.191 4.312 . 0 0 "[ . 1 . 2 .]" 1
199 1 28 ILE HA 1 43 ARG H 1.800 . 5.000 3.836 3.141 4.236 . 0 0 "[ . 1 . 2 .]" 1
200 1 29 ILE MD 1 43 ARG H 1.800 . 6.500 3.368 2.346 4.307 . 0 0 "[ . 1 . 2 .]" 1
201 1 43 ARG HB3 1 43 ARG HE 1.800 . 6.000 3.679 1.916 4.623 . 0 0 "[ . 1 . 2 .]" 1
202 1 43 ARG HB2 1 43 ARG HE 1.800 . 6.000 3.610 1.889 4.639 . 0 0 "[ . 1 . 2 .]" 1
203 1 43 ARG HE 1 50 GLU HG3 1.800 . 6.000 3.872 2.055 5.733 . 0 0 "[ . 1 . 2 .]" 1
204 1 43 ARG HE 1 50 GLU HG2 1.800 . 6.000 4.347 2.329 6.005 0.005 21 0 "[ . 1 . 2 .]" 1
205 1 29 ILE MD 1 43 ARG HE 1.800 . 6.500 4.329 2.055 5.443 . 0 0 "[ . 1 . 2 .]" 1
206 1 44 TRP H 1 44 TRP HD1 1.800 . 5.000 3.025 1.891 4.591 . 0 0 "[ . 1 . 2 .]" 1
207 1 43 ARG HA 1 44 TRP H 1.800 . 2.500 2.160 2.091 2.287 . 0 0 "[ . 1 . 2 .]" 1
208 1 43 ARG HB2 1 44 TRP H 1.800 . 6.000 4.161 2.947 4.641 . 0 0 "[ . 1 . 2 .]" 1
209 1 44 TRP H 1 50 GLU HA 1.800 . 5.000 3.086 2.340 3.681 . 0 0 "[ . 1 . 2 .]" 1
210 1 44 TRP HE1 1 75 ALA MB 1.800 . 6.500 4.853 3.138 5.253 . 0 0 "[ . 1 . 2 .]" 1
211 1 42 VAL MG1 1 44 TRP HE1 1.800 . 6.000 4.077 1.851 5.021 . 0 0 "[ . 1 . 2 .]" 1
212 1 44 TRP HE1 1 51 THR HG1 1.800 . 7.500 2.341 1.404 4.605 0.396 13 0 "[ . 1 . 2 .]" 1
213 1 45 LEU H 1 45 LEU MD2 1.800 . 6.500 2.544 1.655 3.105 0.145 11 0 "[ . 1 . 2 .]" 1
214 1 45 LEU H 1 45 LEU MD1 1.800 . 6.500 3.631 3.187 3.994 . 0 0 "[ . 1 . 2 .]" 1
215 1 26 ALA HA 1 45 LEU H 1.800 . 4.000 3.992 3.716 4.045 0.045 7 0 "[ . 1 . 2 .]" 1
216 1 44 TRP HA 1 45 LEU H 1.800 . 3.000 2.223 2.099 2.427 . 0 0 "[ . 1 . 2 .]" 1
217 1 26 ALA MB 1 45 LEU H 1.800 . 6.500 4.459 3.866 5.093 . 0 0 "[ . 1 . 2 .]" 1
218 1 46 VAL H 1 46 VAL HB 1.800 . 3.500 3.472 2.389 3.538 0.038 4 0 "[ . 1 . 2 .]" 1
219 1 46 VAL H 1 46 VAL MG2 1.800 . 6.500 1.767 1.588 3.735 0.212 7 0 "[ . 1 . 2 .]" 1
220 1 46 VAL H 1 46 VAL MG1 1.800 . 6.500 2.726 2.492 3.226 . 0 0 "[ . 1 . 2 .]" 1
221 1 46 VAL HB 1 47 ASN H 1.800 . 4.000 3.739 3.296 4.021 0.021 20 0 "[ . 1 . 2 .]" 1
222 1 46 VAL MG1 1 47 ASN H 1.800 . 6.500 4.179 2.880 4.438 . 0 0 "[ . 1 . 2 .]" 1
223 1 46 VAL HA 1 47 ASN HD21 1.800 . 6.000 5.268 4.400 5.587 . 0 0 "[ . 1 . 2 .]" 1
224 1 46 VAL HA 1 47 ASN HD22 1.800 . 6.500 6.400 6.001 6.519 0.019 14 0 "[ . 1 . 2 .]" 1
225 1 47 ASN HA 1 48 GLY H 1.800 . 5.000 3.564 3.493 3.606 . 0 0 "[ . 1 . 2 .]" 1
226 1 47 ASN HB3 1 48 GLY H 1.800 . 6.000 3.271 2.798 3.652 . 0 0 "[ . 1 . 2 .]" 1
227 1 47 ASN HB2 1 48 GLY H 1.800 . 6.000 2.422 2.142 2.946 . 0 0 "[ . 1 . 2 .]" 1
228 1 48 GLY QA 1 49 HIS H 1.800 . 4.500 2.636 2.348 2.977 . 0 0 "[ . 1 . 2 .]" 1
229 1 47 ASN HB3 1 49 HIS H 1.800 . 6.000 4.535 3.827 5.393 . 0 0 "[ . 1 . 2 .]" 1
230 1 47 ASN HB2 1 49 HIS H 1.800 . 6.000 3.805 3.154 4.649 . 0 0 "[ . 1 . 2 .]" 1
231 1 50 GLU H 1 50 GLU HG3 1.800 . 5.500 3.968 2.696 5.138 . 0 0 "[ . 1 . 2 .]" 1
232 1 50 GLU H 1 50 GLU HG2 1.800 . 5.500 4.239 2.079 4.762 . 0 0 "[ . 1 . 2 .]" 1
233 1 49 HIS HA 1 50 GLU H 1.800 . 2.500 2.420 2.180 2.515 0.015 14 0 "[ . 1 . 2 .]" 1
234 1 49 HIS HB3 1 50 GLU H 1.800 . 4.000 2.867 2.124 3.945 . 0 0 "[ . 1 . 2 .]" 1
235 1 49 HIS HB2 1 50 GLU H 1.800 . 4.000 3.843 3.478 4.020 0.020 11 0 "[ . 1 . 2 .]" 1
236 1 51 THR H 1 51 THR MG 1.800 . 5.000 2.686 2.229 4.024 . 0 0 "[ . 1 . 2 .]" 1
237 1 50 GLU HA 1 51 THR H 1.800 . 2.500 2.218 2.070 2.333 . 0 0 "[ . 1 . 2 .]" 1
238 1 50 GLU HB3 1 51 THR H 1.800 . 6.000 3.565 2.761 4.251 . 0 0 "[ . 1 . 2 .]" 1
239 1 50 GLU HB2 1 51 THR H 1.800 . 6.000 4.007 2.691 4.473 . 0 0 "[ . 1 . 2 .]" 1
240 1 50 GLU HG3 1 51 THR H 1.800 . 6.000 4.209 2.720 5.115 . 0 0 "[ . 1 . 2 .]" 1
241 1 50 GLU HG2 1 51 THR H 1.800 . 6.000 4.165 2.298 5.616 . 0 0 "[ . 1 . 2 .]" 1
242 1 42 VAL MG1 1 51 THR H 1.800 . 6.000 3.495 2.961 4.352 . 0 0 "[ . 1 . 2 .]" 1
243 1 52 THR H 1 52 THR HB 1.800 . 3.500 2.724 2.602 2.827 . 0 0 "[ . 1 . 2 .]" 1
244 1 52 THR H 1 52 THR MG 1.800 . 6.500 3.887 3.825 3.936 . 0 0 "[ . 1 . 2 .]" 1
245 1 51 THR HA 1 52 THR H 1.800 . 2.500 2.490 2.388 2.520 0.020 14 0 "[ . 1 . 2 .]" 1
246 1 51 THR MG 1 52 THR H 1.800 . 5.500 2.979 1.802 3.650 . 0 0 "[ . 1 . 2 .]" 1
247 1 51 THR HB 1 52 THR H 1.800 . 3.500 3.323 2.002 3.521 0.021 9 0 "[ . 1 . 2 .]" 1
248 1 52 THR HA 1 53 VAL H 1.800 . 2.500 2.199 2.154 2.286 . 0 0 "[ . 1 . 2 .]" 1
249 1 52 THR MG 1 53 VAL H 1.800 . 5.500 2.910 2.634 3.241 . 0 0 "[ . 1 . 2 .]" 1
250 1 53 VAL HA 1 54 TYR H 1.800 . 2.800 2.365 2.131 2.555 . 0 0 "[ . 1 . 2 .]" 1
251 1 53 VAL HB 1 54 TYR H 1.800 . 4.000 2.862 1.824 4.006 0.006 8 0 "[ . 1 . 2 .]" 1
252 1 53 VAL QG 1 54 TYR H 1.800 . 6.800 2.536 1.395 3.256 0.405 7 0 "[ . 1 . 2 .]" 1
253 1 55 PRO HB3 1 56 GLY H 1.800 . 6.000 3.777 2.817 4.511 . 0 0 "[ . 1 . 2 .]" 1
254 1 55 PRO HB2 1 56 GLY H 1.800 . 6.000 2.940 1.919 4.055 . 0 0 "[ . 1 . 2 .]" 1
255 1 56 GLY HA3 1 57 SER H 1.800 . 5.500 2.484 2.135 3.550 . 0 0 "[ . 1 . 2 .]" 1
256 1 56 GLY HA2 1 57 SER H 1.800 . 5.500 3.014 2.320 3.566 . 0 0 "[ . 1 . 2 .]" 1
257 1 57 SER HA 1 58 ASP H 1.800 . 3.000 2.525 2.234 3.021 0.021 18 0 "[ . 1 . 2 .]" 1
258 1 57 SER HB3 1 58 ASP H 1.800 . 6.000 3.151 1.913 4.574 . 0 0 "[ . 1 . 2 .]" 1
259 1 57 SER HB2 1 58 ASP H 1.800 . 6.000 3.523 2.385 4.371 . 0 0 "[ . 1 . 2 .]" 1
260 1 58 ASP H 1 59 ALA MB 1.800 . 6.500 4.253 3.666 4.826 . 0 0 "[ . 1 . 2 .]" 1
261 1 59 ALA H 1 59 ALA MB 1.800 . 5.000 2.376 2.218 3.023 . 0 0 "[ . 1 . 2 .]" 1
262 1 57 SER HA 1 59 ALA H 1.800 . 4.000 3.699 3.067 4.046 0.046 12 0 "[ . 1 . 2 .]" 1
263 1 58 ASP HB3 1 59 ALA H 1.800 . 6.000 4.135 2.232 4.441 . 0 0 "[ . 1 . 2 .]" 1
264 1 58 ASP HB2 1 59 ALA H 1.800 . 6.000 4.326 3.652 4.609 . 0 0 "[ . 1 . 2 .]" 1
265 1 59 ALA HA 1 60 VAL H 1.800 . 2.500 2.161 2.102 2.431 . 0 0 "[ . 1 . 2 .]" 1
266 1 14 VAL HA 1 60 VAL H 1.800 . 5.000 3.460 2.724 4.325 . 0 0 "[ . 1 . 2 .]" 1
267 1 60 VAL H 1 60 VAL QG 1.800 . 6.800 2.363 1.938 2.748 . 0 0 "[ . 1 . 2 .]" 1
268 1 59 ALA MB 1 60 VAL H 1.800 . 5.000 3.016 2.378 3.349 . 0 0 "[ . 1 . 2 .]" 1
269 1 13 VAL MG2 1 60 VAL H 1.800 . 6.500 4.723 3.468 5.476 . 0 0 "[ . 1 . 2 .]" 1
270 1 60 VAL HA 1 61 VAL H 1.800 . 2.500 2.456 2.260 2.537 0.037 9 0 "[ . 1 . 2 .]" 1
271 1 61 VAL H 1 61 VAL HB 1.800 . 3.500 3.036 2.560 3.546 0.046 14 0 "[ . 1 . 2 .]" 1
272 1 61 VAL H 1 61 VAL QG 1.800 . 6.800 2.344 1.736 2.961 0.064 11 0 "[ . 1 . 2 .]" 1
273 1 60 VAL HB 1 61 VAL H 1.800 . 3.500 3.171 1.918 3.549 0.049 18 0 "[ . 1 . 2 .]" 1
274 1 60 VAL QG 1 61 VAL H 1.800 . 5.800 1.923 1.276 3.363 0.524 8 4 "[ *.* + 1 . 2 - .]" 1
275 1 62 VAL H 1 62 VAL MG2 1.800 . 6.500 2.034 1.756 4.012 0.044 20 0 "[ . 1 . 2 .]" 1
276 1 62 VAL H 1 62 VAL MG1 1.800 . 6.500 3.207 2.460 3.641 . 0 0 "[ . 1 . 2 .]" 1
277 1 61 VAL HA 1 62 VAL H 1.800 . 2.500 2.164 2.114 2.321 . 0 0 "[ . 1 . 2 .]" 1
278 1 61 VAL HB 1 62 VAL H 1.800 . 5.000 3.797 2.718 4.305 . 0 0 "[ . 1 . 2 .]" 1
279 1 61 VAL QG 1 62 VAL H 1.800 . 6.800 2.842 2.098 3.577 . 0 0 "[ . 1 . 2 .]" 1
280 1 12 LEU HA 1 62 VAL H 1.800 . 5.000 3.571 3.053 4.107 . 0 0 "[ . 1 . 2 .]" 1
281 1 62 VAL H 1 62 VAL HB 1.800 . 3.500 3.537 3.378 3.581 0.081 19 0 "[ . 1 . 2 .]" 1
282 1 63 THR H 1 63 THR HB 1.800 . 4.000 3.345 2.088 3.697 . 0 0 "[ . 1 . 2 .]" 1
283 1 63 THR H 1 63 THR MG 1.800 . 4.000 2.759 2.048 3.406 . 0 0 "[ . 1 . 2 .]" 1
284 1 62 VAL HA 1 63 THR H 1.800 . 2.500 2.508 2.465 2.518 0.018 22 0 "[ . 1 . 2 .]" 1
285 1 62 VAL HB 1 63 THR H 1.800 . 4.000 2.149 1.929 3.735 . 0 0 "[ . 1 . 2 .]" 1
286 1 62 VAL MG2 1 63 THR H 1.800 . 5.500 3.452 1.600 3.808 0.200 24 0 "[ . 1 . 2 .]" 1
287 1 62 VAL MG1 1 63 THR H 1.800 . 6.500 3.075 2.650 3.476 . 0 0 "[ . 1 . 2 .]" 1
288 1 63 THR H 1 66 GLU HG3 1.800 . 6.000 3.465 2.338 5.986 . 0 0 "[ . 1 . 2 .]" 1
289 1 63 THR H 1 66 GLU HG2 1.800 . 6.000 3.880 2.330 6.002 0.002 15 0 "[ . 1 . 2 .]" 1
290 1 63 THR H 1 66 GLU QB 1.800 . 6.000 2.769 1.866 3.571 . 0 0 "[ . 1 . 2 .]" 1
291 1 64 ALA H 1 64 ALA MB 1.800 . 4.000 2.203 2.182 2.229 . 0 0 "[ . 1 . 2 .]" 1
292 1 63 THR HA 1 64 ALA H 1.800 . 3.000 2.757 2.433 2.861 . 0 0 "[ . 1 . 2 .]" 1
293 1 63 THR HB 1 64 ALA H 1.800 . 3.500 2.362 1.777 3.523 0.023 4 0 "[ . 1 . 2 .]" 1
294 1 63 THR MG 1 64 ALA H 1.800 . 6.500 2.977 1.548 3.715 0.252 15 0 "[ . 1 . 2 .]" 1
295 1 65 THR H 1 65 THR HA 1.800 . 3.000 2.843 2.796 2.889 . 0 0 "[ . 1 . 2 .]" 1
296 1 65 THR H 1 65 THR HB 1.800 . 3.500 3.507 3.460 3.530 0.030 21 0 "[ . 1 . 2 .]" 1
297 1 65 THR H 1 65 THR MG 1.800 . 5.000 2.916 2.710 3.073 . 0 0 "[ . 1 . 2 .]" 1
298 1 64 ALA MB 1 65 THR H 1.800 . 4.000 2.512 2.202 2.642 . 0 0 "[ . 1 . 2 .]" 1
299 1 63 THR HA 1 65 THR H 1.800 . 5.000 5.017 5.003 5.031 0.031 21 0 "[ . 1 . 2 .]" 1
300 1 63 THR HB 1 65 THR H 1.800 . 5.000 3.953 3.153 4.975 . 0 0 "[ . 1 . 2 .]" 1
301 1 63 THR MG 1 65 THR H 1.800 . 6.500 3.981 1.722 5.099 0.078 23 0 "[ . 1 . 2 .]" 1
302 1 66 GLU H 1 66 GLU HG3 1.800 . 4.500 3.013 1.791 4.418 0.009 7 0 "[ . 1 . 2 .]" 1
303 1 66 GLU H 1 66 GLU HG2 1.800 . 4.500 2.626 1.794 4.465 0.006 25 0 "[ . 1 . 2 .]" 1
304 1 64 ALA MB 1 66 GLU H 1.800 . 6.500 4.640 4.151 4.987 . 0 0 "[ . 1 . 2 .]" 1
305 1 65 THR HA 1 66 GLU H 1.800 . 4.000 3.519 3.456 3.582 . 0 0 "[ . 1 . 2 .]" 1
306 1 65 THR HB 1 66 GLU H 1.800 . 4.000 3.066 2.685 3.681 . 0 0 "[ . 1 . 2 .]" 1
307 1 65 THR MG 1 66 GLU H 1.800 . 6.500 4.052 3.913 4.258 . 0 0 "[ . 1 . 2 .]" 1
308 1 63 THR HA 1 66 GLU H 1.800 . 6.000 5.404 5.092 6.007 0.007 15 0 "[ . 1 . 2 .]" 1
309 1 63 THR HB 1 66 GLU H 1.800 . 5.000 4.836 3.402 5.049 0.049 23 0 "[ . 1 . 2 .]" 1
310 1 63 THR MG 1 66 GLU H 1.800 . 6.500 4.491 2.186 5.487 . 0 0 "[ . 1 . 2 .]" 1
311 1 67 HIS H 1 67 HIS HB3 1.800 . 4.000 2.175 1.985 3.560 . 0 0 "[ . 1 . 2 .]" 1
312 1 67 HIS H 1 67 HIS HB2 1.800 . 4.000 3.124 2.206 3.463 . 0 0 "[ . 1 . 2 .]" 1
313 1 66 GLU QB 1 67 HIS H 1.800 . 6.000 2.893 2.110 3.184 . 0 0 "[ . 1 . 2 .]" 1
314 1 66 GLU HG3 1 67 HIS H 1.800 . 6.000 4.767 3.982 5.328 . 0 0 "[ . 1 . 2 .]" 1
315 1 66 GLU HG2 1 67 HIS H 1.800 . 6.000 4.475 3.355 5.116 . 0 0 "[ . 1 . 2 .]" 1
316 1 65 THR HA 1 67 HIS H 1.800 . 6.000 3.844 3.339 4.949 . 0 0 "[ . 1 . 2 .]" 1
317 1 62 VAL HB 1 67 HIS H 1.800 . 5.000 4.361 3.869 5.021 0.021 24 0 "[ . 1 . 2 .]" 1
318 1 62 VAL MG1 1 67 HIS H 1.800 . 6.400 5.040 3.127 5.274 . 0 0 "[ . 1 . 2 .]" 1
319 1 68 ALA H 1 68 ALA HA 1.800 . 3.000 2.793 2.712 2.880 . 0 0 "[ . 1 . 2 .]" 1
320 1 68 ALA H 1 68 ALA MB 1.800 . 4.000 2.216 2.179 2.247 . 0 0 "[ . 1 . 2 .]" 1
321 1 67 HIS HB3 1 68 ALA H 1.800 . 5.800 3.394 2.968 4.040 . 0 0 "[ . 1 . 2 .]" 1
322 1 67 HIS HB2 1 68 ALA H 1.800 . 5.800 4.216 3.572 4.378 . 0 0 "[ . 1 . 2 .]" 1
323 1 65 THR HA 1 68 ALA H 1.800 . 5.000 3.653 2.991 4.112 . 0 0 "[ . 1 . 2 .]" 1
324 1 46 VAL MG2 1 68 ALA H 1.800 . 6.000 4.667 3.930 4.962 . 0 0 "[ . 1 . 2 .]" 1
325 1 69 GLU H 1 69 GLU HA 1.800 . 3.000 2.805 2.776 2.853 . 0 0 "[ . 1 . 2 .]" 1
326 1 69 GLU H 1 69 GLU QG 1.800 . 5.500 1.622 1.342 2.011 0.458 22 0 "[ . 1 . 2 .]" 1
327 1 65 THR HA 1 69 GLU H 1.800 . 6.000 5.508 4.771 5.878 . 0 0 "[ . 1 . 2 .]" 1
328 1 68 ALA MB 1 69 GLU H 1.800 . 5.000 1.974 1.783 2.602 0.017 7 0 "[ . 1 . 2 .]" 1
329 1 68 ALA HA 1 69 GLU H 1.800 . 5.000 3.515 3.469 3.560 . 0 0 "[ . 1 . 2 .]" 1
330 1 70 ALA H 1 70 ALA MB 1.800 . 5.000 2.234 2.210 2.284 . 0 0 "[ . 1 . 2 .]" 1
331 1 69 GLU HA 1 70 ALA H 1.800 . 5.000 3.527 3.481 3.559 . 0 0 "[ . 1 . 2 .]" 1
332 1 69 GLU HB3 1 70 ALA H 1.800 . 5.500 3.916 3.505 4.166 . 0 0 "[ . 1 . 2 .]" 1
333 1 69 GLU HB2 1 70 ALA H 1.800 . 5.500 2.974 2.022 3.886 . 0 0 "[ . 1 . 2 .]" 1
334 1 69 GLU QG 1 70 ALA H 1.800 . 6.000 2.520 1.730 3.617 0.070 6 0 "[ . 1 . 2 .]" 1
335 1 71 GLU H 1 71 GLU HA 1.800 . 3.000 2.840 2.789 2.887 . 0 0 "[ . 1 . 2 .]" 1
336 1 71 GLU H 1 71 GLU HG3 1.800 . 6.000 4.434 4.116 4.678 . 0 0 "[ . 1 . 2 .]" 1
337 1 71 GLU H 1 71 GLU HG2 1.800 . 6.000 4.539 4.442 4.691 . 0 0 "[ . 1 . 2 .]" 1
338 1 68 ALA HA 1 71 GLU H 1.800 . 5.000 4.066 2.961 4.669 . 0 0 "[ . 1 . 2 .]" 1
339 1 70 ALA MB 1 71 GLU H 1.800 . 6.500 2.766 2.334 3.079 . 0 0 "[ . 1 . 2 .]" 1
340 1 69 GLU HA 1 71 GLU H 1.800 . 5.000 4.346 3.790 5.015 0.015 7 0 "[ . 1 . 2 .]" 1
341 1 46 VAL MG2 1 71 GLU H 1.800 . 7.000 3.936 3.418 5.231 . 0 0 "[ . 1 . 2 .]" 1
342 1 72 LYS H 1 72 LYS HA 1.800 . 3.000 2.796 2.757 2.839 . 0 0 "[ . 1 . 2 .]" 1
343 1 72 LYS H 1 72 LYS QG 1.800 . 5.500 2.664 1.982 4.040 . 0 0 "[ . 1 . 2 .]" 1
344 1 69 GLU HA 1 72 LYS H 1.800 . 5.000 3.796 3.302 4.140 . 0 0 "[ . 1 . 2 .]" 1
345 1 71 GLU HA 1 72 LYS H 1.800 . 5.000 3.562 3.540 3.578 . 0 0 "[ . 1 . 2 .]" 1
346 1 73 ARG H 1 73 ARG HA 1.800 . 3.000 2.835 2.791 2.872 . 0 0 "[ . 1 . 2 .]" 1
347 1 73 ARG H 1 73 ARG QG 1.800 . 6.000 2.749 1.742 4.050 0.058 6 0 "[ . 1 . 2 .]" 1
348 1 73 ARG H 1 73 ARG HD3 1.800 . 6.000 4.443 1.847 5.899 . 0 0 "[ . 1 . 2 .]" 1
349 1 73 ARG H 1 73 ARG HD2 1.800 . 5.500 4.387 2.677 5.557 0.057 2 0 "[ . 1 . 2 .]" 1
350 1 72 LYS HA 1 73 ARG H 1.800 . 5.000 3.572 3.532 3.603 . 0 0 "[ . 1 . 2 .]" 1
351 1 69 GLU HA 1 73 ARG H 1.800 . 5.000 4.538 4.140 4.778 . 0 0 "[ . 1 . 2 .]" 1
352 1 74 ALA H 1 74 ALA HA 1.800 . 3.000 2.833 2.748 2.885 . 0 0 "[ . 1 . 2 .]" 1
353 1 74 ALA H 1 74 ALA MB 1.800 . 5.000 2.225 2.136 2.285 . 0 0 "[ . 1 . 2 .]" 1
354 1 73 ARG HA 1 74 ALA H 1.800 . 5.000 3.506 3.411 3.572 . 0 0 "[ . 1 . 2 .]" 1
355 1 73 ARG HB3 1 74 ALA H 1.800 . 6.000 3.247 2.089 3.954 . 0 0 "[ . 1 . 2 .]" 1
356 1 73 ARG HB2 1 74 ALA H 1.800 . 6.000 3.005 2.055 4.056 . 0 0 "[ . 1 . 2 .]" 1
357 1 73 ARG QG 1 74 ALA H 1.800 . 6.000 3.533 1.579 4.763 0.221 14 0 "[ . 1 . 2 .]" 1
358 1 71 GLU HA 1 74 ALA H 1.800 . 5.000 3.732 2.954 4.887 . 0 0 "[ . 1 . 2 .]" 1
359 1 75 ALA H 1 75 ALA HA 1.800 . 3.000 2.854 2.802 2.897 . 0 0 "[ . 1 . 2 .]" 1
360 1 75 ALA H 1 75 ALA MB 1.800 . 4.000 2.306 2.253 2.358 . 0 0 "[ . 1 . 2 .]" 1
361 1 74 ALA HA 1 75 ALA H 1.800 . 5.000 3.539 3.456 3.662 . 0 0 "[ . 1 . 2 .]" 1
362 1 74 ALA MB 1 75 ALA H 1.800 . 5.500 2.774 2.113 3.056 . 0 0 "[ . 1 . 2 .]" 1
363 1 72 LYS HA 1 75 ALA H 1.800 . 5.000 4.087 3.190 4.742 . 0 0 "[ . 1 . 2 .]" 1
364 1 76 ALA H 1 76 ALA HA 1.800 . 3.000 2.803 2.757 2.880 . 0 0 "[ . 1 . 2 .]" 1
365 1 76 ALA H 1 76 ALA MB 1.800 . 5.000 2.246 2.225 2.263 . 0 0 "[ . 1 . 2 .]" 1
366 1 75 ALA HA 1 76 ALA H 1.800 . 5.000 3.534 3.455 3.573 . 0 0 "[ . 1 . 2 .]" 1
367 1 74 ALA HA 1 76 ALA H 1.800 . 5.000 4.279 3.828 4.574 . 0 0 "[ . 1 . 2 .]" 1
368 1 75 ALA MB 1 76 ALA H 1.800 . 4.000 2.621 2.441 2.886 . 0 0 "[ . 1 . 2 .]" 1
369 1 77 ARG H 1 77 ARG HA 1.800 . 3.000 2.875 2.798 2.904 . 0 0 "[ . 1 . 2 .]" 1
370 1 77 ARG H 1 77 ARG QG 1.800 . 5.500 3.381 2.143 4.070 . 0 0 "[ . 1 . 2 .]" 1
371 1 76 ALA MB 1 77 ARG H 1.800 . 6.000 2.533 2.031 2.791 . 0 0 "[ . 1 . 2 .]" 1
372 1 76 ALA HA 1 77 ARG H 1.800 . 5.000 3.538 3.479 3.600 . 0 0 "[ . 1 . 2 .]" 1
373 1 74 ALA HA 1 77 ARG H 1.800 . 4.000 3.157 2.755 3.659 . 0 0 "[ . 1 . 2 .]" 1
374 1 77 ARG QG 1 78 ALA H 1.800 . 6.000 3.943 3.063 4.595 . 0 0 "[ . 1 . 2 .]" 1
375 1 78 ALA H 1 78 ALA MB 1.800 . 5.000 2.229 2.206 2.266 . 0 0 "[ . 1 . 2 .]" 1
376 1 77 ARG HA 1 78 ALA H 1.800 . 4.500 3.564 3.508 3.584 . 0 0 "[ . 1 . 2 .]" 1
377 1 75 ALA HA 1 78 ALA H 1.800 . 6.500 3.305 2.632 4.969 . 0 0 "[ . 1 . 2 .]" 1
378 1 78 ALA HA 1 79 GLY H 1.800 . 4.000 3.572 3.543 3.588 . 0 0 "[ . 1 . 2 .]" 1
379 1 78 ALA MB 1 79 GLY H 1.800 . 6.000 2.327 2.058 2.741 . 0 0 "[ . 1 . 2 .]" 1
380 1 79 GLY HA2 1 80 HIS H 1.800 . 4.500 2.944 2.392 3.407 . 0 0 "[ . 1 . 2 .]" 1
381 1 81 ALA H 1 81 ALA MB 1.800 . 6.000 2.564 2.256 2.916 . 0 0 "[ . 1 . 2 .]" 1
382 1 82 ALA H 1 82 ALA MB 1.800 . 6.000 2.475 2.230 2.929 . 0 0 "[ . 1 . 2 .]" 1
383 1 81 ALA HA 1 82 ALA H 1.800 . 5.000 2.857 2.156 3.575 . 0 0 "[ . 1 . 2 .]" 1
384 1 81 ALA MB 1 82 ALA H 1.800 . 6.500 3.101 1.771 3.707 0.029 24 0 "[ . 1 . 2 .]" 1
385 1 82 ALA HA 1 83 THR H 1.800 . 5.000 2.576 2.130 3.566 . 0 0 "[ . 1 . 2 .]" 1
386 1 4 MET ME 1 12 LEU HG 1.800 . 6.500 3.965 1.532 5.210 0.268 2 0 "[ . 1 . 2 .]" 1
387 1 4 MET ME 1 59 ALA MB 1.800 . 8.000 2.199 1.790 2.988 0.010 4 0 "[ . 1 . 2 .]" 1
388 1 4 MET ME 1 61 VAL QG 1.800 . 8.400 3.059 1.641 4.488 0.159 2 0 "[ . 1 . 2 .]" 1
389 1 4 MET ME 1 60 VAL HA 1.800 . 6.500 3.888 2.797 5.212 . 0 0 "[ . 1 . 2 .]" 1
390 1 4 MET QG 1 40 TYR QE 1.800 . 7.500 5.440 3.764 6.231 . 0 0 "[ . 1 . 2 .]" 1
391 1 4 MET QG 1 61 VAL QG 1.800 . 8.400 3.882 2.326 5.439 . 0 0 "[ . 1 . 2 .]" 1
392 1 6 ALA MB 1 28 ILE MG 1.800 . 8.000 3.544 2.853 4.295 . 0 0 "[ . 1 . 2 .]" 1
393 1 6 ALA MB 1 28 ILE MD 1.800 . 7.500 2.362 1.862 3.389 . 0 0 "[ . 1 . 2 .]" 1
394 1 6 ALA MB 1 10 ASP QB 1.800 . 7.500 4.427 2.994 5.448 . 0 0 "[ . 1 . 2 .]" 1
395 1 6 ALA MB 1 31 VAL MG2 1.800 . 8.000 3.541 2.800 4.680 . 0 0 "[ . 1 . 2 .]" 1
396 1 6 ALA MB 1 40 TYR QE 1.800 . 7.500 2.711 1.850 3.791 . 0 0 "[ . 1 . 2 .]" 1
397 1 8 VAL HA 1 8 VAL MG1 1.800 . 6.500 3.137 2.542 3.230 . 0 0 "[ . 1 . 2 .]" 1
398 1 8 VAL HA 1 8 VAL MG2 1.800 . 6.500 2.438 2.279 2.528 . 0 0 "[ . 1 . 2 .]" 1
399 1 8 VAL HA 1 29 ILE HA 2.500 2.500 6.000 3.532 3.043 4.032 . 0 0 "[ . 1 . 2 .]" 1
400 1 8 VAL HA 1 31 VAL HA 2.500 2.500 6.000 6.027 6.004 6.049 0.049 23 0 "[ . 1 . 2 .]" 1
401 1 8 VAL HA 1 31 VAL MG2 1.800 . 6.500 2.842 2.445 3.225 . 0 0 "[ . 1 . 2 .]" 1
402 1 8 VAL HA 1 28 ILE MG 1.800 . 8.000 3.448 2.285 5.162 . 0 0 "[ . 1 . 2 .]" 1
403 1 8 VAL HA 1 28 ILE MD 2.500 2.500 7.000 4.212 3.180 4.878 . 0 0 "[ . 1 . 2 .]" 1
404 1 8 VAL MG2 1 30 GLU HA 1.800 . 5.500 3.797 2.673 4.436 . 0 0 "[ . 1 . 2 .]" 1
405 1 8 VAL MG2 1 29 ILE HA 1.800 . 6.500 1.749 1.332 3.352 0.468 20 0 "[ . 1 . 2 .]" 1
406 1 8 VAL MG1 1 31 VAL MG2 1.800 . 8.000 3.340 2.751 4.200 . 0 0 "[ . 1 . 2 .]" 1
407 1 8 VAL MG2 1 31 VAL MG2 1.800 . 8.000 3.242 1.810 3.824 . 0 0 "[ . 1 . 2 .]" 1
408 1 8 VAL MG2 1 28 ILE MG 1.800 . 8.000 4.001 3.031 5.427 . 0 0 "[ . 1 . 2 .]" 1
409 1 8 VAL MG1 1 9 GLY HA3 1.800 . 6.500 3.914 3.294 4.210 . 0 0 "[ . 1 . 2 .]" 1
410 1 8 VAL MG2 1 9 GLY HA3 1.800 . 6.500 3.670 3.265 5.462 . 0 0 "[ . 1 . 2 .]" 1
411 1 10 ASP HA 1 63 THR HA 1.800 . 3.500 3.553 3.524 3.586 0.086 2 0 "[ . 1 . 2 .]" 1
412 1 10 ASP QB 1 28 ILE MD 1.800 . 7.500 3.238 2.427 3.968 . 0 0 "[ . 1 . 2 .]" 1
413 1 11 TYR HA 1 27 GLU HA 1.800 . 3.000 2.044 1.823 2.350 . 0 0 "[ . 1 . 2 .]" 1
414 1 11 TYR QD 1 45 LEU MD1 1.800 . 7.500 3.762 2.926 4.572 . 0 0 "[ . 1 . 2 .]" 1
415 1 11 TYR QD 1 64 ALA HA 1.800 . 6.000 3.636 2.095 4.187 . 0 0 "[ . 1 . 2 .]" 1
416 1 11 TYR QD 1 64 ALA MB 1.800 . 7.500 4.425 3.027 4.872 . 0 0 "[ . 1 . 2 .]" 1
417 1 11 TYR QE 1 64 ALA HA 1.800 . 6.000 2.443 1.655 2.982 0.145 15 0 "[ . 1 . 2 .]" 1
418 1 11 TYR QE 1 64 ALA MB 1.800 . 7.000 3.036 2.412 3.506 . 0 0 "[ . 1 . 2 .]" 1
419 1 11 TYR QE 1 45 LEU MD1 1.800 . 7.000 1.994 1.661 2.524 0.139 19 0 "[ . 1 . 2 .]" 1
420 1 11 TYR QE 1 45 LEU MD2 1.800 . 7.000 3.496 1.385 4.105 0.415 8 0 "[ . 1 . 2 .]" 1
421 1 11 TYR QE 1 46 VAL MG1 1.800 . 7.000 4.777 4.314 5.297 . 0 0 "[ . 1 . 2 .]" 1
422 1 11 TYR QE 1 46 VAL MG2 1.800 . 7.000 4.322 3.738 5.090 . 0 0 "[ . 1 . 2 .]" 1
423 1 12 LEU HB3 1 12 LEU MD1 1.800 . 7.400 2.551 2.313 2.688 . 0 0 "[ . 1 . 2 .]" 1
424 1 12 LEU HB3 1 12 LEU MD2 1.800 . 7.400 2.248 2.164 2.453 . 0 0 "[ . 1 . 2 .]" 1
425 1 12 LEU HG 1 55 PRO HA 1.800 . 6.500 6.429 6.049 6.509 0.009 22 0 "[ . 1 . 2 .]" 1
426 1 12 LEU HG 1 55 PRO HB3 1.800 . 6.500 4.252 3.793 4.712 . 0 0 "[ . 1 . 2 .]" 1
427 1 12 LEU HG 1 55 PRO HB2 1.800 . 6.500 4.753 4.271 5.870 . 0 0 "[ . 1 . 2 .]" 1
428 1 12 LEU HG 1 55 PRO HG3 1.800 . 6.500 4.112 3.533 4.613 . 0 0 "[ . 1 . 2 .]" 1
429 1 12 LEU HG 1 55 PRO HG2 1.800 . 6.500 5.010 4.220 5.813 . 0 0 "[ . 1 . 2 .]" 1
430 1 12 LEU HG 1 40 TYR QE 1.800 . 6.000 5.198 4.619 5.633 . 0 0 "[ . 1 . 2 .]" 1
431 1 12 LEU HG 1 59 ALA HA 1.800 . 6.000 4.208 3.418 5.419 . 0 0 "[ . 1 . 2 .]" 1
432 1 12 LEU MD2 1 26 ALA MB 1.800 . 7.000 3.678 2.984 4.314 . 0 0 "[ . 1 . 2 .]" 1
433 1 12 LEU HB3 1 26 ALA MB 1.800 . 7.500 3.307 2.607 4.258 . 0 0 "[ . 1 . 2 .]" 1
434 1 12 LEU MD2 1 55 PRO HG3 1.800 . 7.500 2.731 2.172 3.418 . 0 0 "[ . 1 . 2 .]" 1
435 1 12 LEU MD2 1 55 PRO HG2 1.800 . 7.500 3.626 2.735 4.279 . 0 0 "[ . 1 . 2 .]" 1
436 1 12 LEU MD2 1 55 PRO HB3 1.800 . 7.500 1.961 1.584 2.356 0.216 6 0 "[ . 1 . 2 .]" 1
437 1 12 LEU MD2 1 55 PRO HB2 1.800 . 7.500 2.827 2.301 3.673 . 0 0 "[ . 1 . 2 .]" 1
438 1 13 VAL HA 1 25 HIS HA 1.800 . 3.500 2.888 2.599 3.178 . 0 0 "[ . 1 . 2 .]" 1
439 1 13 VAL MG1 1 25 HIS HA 1.800 . 6.500 4.465 3.589 5.288 . 0 0 "[ . 1 . 2 .]" 1
440 1 13 VAL MG2 1 25 HIS HA 1.800 . 6.500 3.223 2.826 3.678 . 0 0 "[ . 1 . 2 .]" 1
441 1 13 VAL MG2 1 23 ASP HA 1.800 . 6.500 4.971 3.755 5.327 . 0 0 "[ . 1 . 2 .]" 1
442 1 13 VAL MG2 1 22 HIS HB3 1.800 . 6.500 3.709 1.674 5.140 0.126 17 0 "[ . 1 . 2 .]" 1
443 1 13 VAL MG2 1 22 HIS HB2 1.800 . 6.500 3.854 2.152 5.310 . 0 0 "[ . 1 . 2 .]" 1
444 1 13 VAL MG1 1 23 ASP HA 1.800 . 7.500 3.979 2.994 5.840 . 0 0 "[ . 1 . 2 .]" 1
445 1 13 VAL MG1 1 62 VAL MG1 1.800 . 8.000 3.594 2.543 4.200 . 0 0 "[ . 1 . 2 .]" 1
446 1 13 VAL MG2 1 62 VAL MG2 1.800 . 8.000 1.940 1.591 3.836 0.209 4 0 "[ . 1 . 2 .]" 1
447 1 13 VAL MG1 1 60 VAL MG1 1.800 . 7.400 3.745 2.271 5.053 . 0 0 "[ . 1 . 2 .]" 1
448 1 13 VAL MG2 1 60 VAL HB 1.800 . 8.000 4.475 2.225 6.106 . 0 0 "[ . 1 . 2 .]" 1
449 1 13 VAL MG1 1 60 VAL HB 1.800 . 8.000 3.868 1.706 5.608 0.094 17 0 "[ . 1 . 2 .]" 1
450 1 13 VAL MG2 1 60 VAL MG1 1.800 . 8.000 4.193 2.102 5.546 . 0 0 "[ . 1 . 2 .]" 1
451 1 13 VAL MG1 1 23 ASP QB 1.800 . 7.500 4.368 3.747 5.138 . 0 0 "[ . 1 . 2 .]" 1
452 1 13 VAL MG2 1 25 HIS HB3 1.800 . 7.500 3.952 3.039 4.786 . 0 0 "[ . 1 . 2 .]" 1
453 1 13 VAL HA 1 25 HIS HB3 1.800 . 6.000 4.993 4.372 5.743 . 0 0 "[ . 1 . 2 .]" 1
454 1 26 ALA HA 1 44 TRP HA 1.800 . 3.500 3.232 2.790 3.526 0.026 11 0 "[ . 1 . 2 .]" 1
455 1 26 ALA HA 1 45 LEU HG 1.800 . 5.000 4.442 4.188 4.796 . 0 0 "[ . 1 . 2 .]" 1
456 1 26 ALA HA 1 45 LEU MD2 1.800 . 6.500 4.662 2.232 5.322 . 0 0 "[ . 1 . 2 .]" 1
457 1 26 ALA HA 1 45 LEU MD1 1.800 . 6.500 5.293 4.509 5.371 . 0 0 "[ . 1 . 2 .]" 1
458 1 26 ALA MB 1 42 VAL HA 1.800 . 6.500 4.127 3.672 4.750 . 0 0 "[ . 1 . 2 .]" 1
459 1 26 ALA MB 1 42 VAL MG1 1.800 . 6.500 1.834 1.596 2.163 0.204 2 0 "[ . 1 . 2 .]" 1
460 1 26 ALA MB 1 42 VAL MG2 1.800 . 8.000 2.143 1.810 3.587 . 0 0 "[ . 1 . 2 .]" 1
461 1 26 ALA MB 1 44 TRP HA 1.800 . 6.500 3.288 2.338 4.175 . 0 0 "[ . 1 . 2 .]" 1
462 1 26 ALA MB 1 44 TRP HZ3 1.800 . 6.500 2.857 1.388 5.397 0.412 25 0 "[ . 1 . 2 .]" 1
463 1 26 ALA MB 1 45 LEU MD2 1.800 . 7.000 4.447 3.270 4.670 . 0 0 "[ . 1 . 2 .]" 1
464 1 26 ALA MB 1 45 LEU HG 1.800 . 6.500 4.976 4.553 5.442 . 0 0 "[ . 1 . 2 .]" 1
465 1 28 ILE HA 1 28 ILE MG 1.800 . 6.500 2.244 2.128 2.386 . 0 0 "[ . 1 . 2 .]" 1
466 1 28 ILE HG12 1 28 ILE MG 1.800 . 6.000 2.377 2.329 2.490 . 0 0 "[ . 1 . 2 .]" 1
467 1 28 ILE HG13 1 28 ILE MG 1.800 . 6.000 3.193 3.159 3.206 . 0 0 "[ . 1 . 2 .]" 1
468 1 28 ILE HA 1 42 VAL HA 1.800 . 3.000 2.658 2.066 3.001 0.001 15 0 "[ . 1 . 2 .]" 1
469 1 28 ILE HG13 1 42 VAL MG2 1.800 . 7.500 3.649 2.860 5.973 . 0 0 "[ . 1 . 2 .]" 1
470 1 28 ILE HG12 1 42 VAL MG2 1.800 . 7.500 2.697 1.838 5.274 . 0 0 "[ . 1 . 2 .]" 1
471 1 28 ILE MG 1 42 VAL MG2 1.800 . 8.000 2.624 1.426 3.329 0.374 19 0 "[ . 1 . 2 .]" 1
472 1 28 ILE MG 1 31 VAL MG2 1.800 . 8.000 1.930 1.625 3.302 0.175 25 0 "[ . 1 . 2 .]" 1
473 1 11 TYR HA 1 28 ILE MG 1.800 . 6.500 5.244 4.172 5.506 . 0 0 "[ . 1 . 2 .]" 1
474 1 28 ILE MG 1 42 VAL HA 1.800 . 6.500 3.750 2.659 4.471 . 0 0 "[ . 1 . 2 .]" 1
475 1 28 ILE MG 1 40 TYR HA 1.800 . 6.500 4.207 3.637 4.712 . 0 0 "[ . 1 . 2 .]" 1
476 1 28 ILE MG 1 40 TYR HB3 1.800 . 6.500 2.685 2.194 3.189 . 0 0 "[ . 1 . 2 .]" 1
477 1 28 ILE MG 1 40 TYR HB2 1.800 . 6.500 4.034 3.410 4.659 . 0 0 "[ . 1 . 2 .]" 1
478 1 28 ILE MG 1 40 TYR QD 1.800 . 7.500 2.657 1.837 3.513 . 0 0 "[ . 1 . 2 .]" 1
479 1 28 ILE MG 1 40 TYR QE 1.800 . 8.000 3.822 2.986 4.855 . 0 0 "[ . 1 . 2 .]" 1
480 1 28 ILE MD 1 31 VAL MG2 1.800 . 8.000 3.022 1.574 3.482 0.226 7 0 "[ . 1 . 2 .]" 1
481 1 28 ILE MD 1 61 VAL QG 1.800 . 8.900 2.918 2.005 3.941 . 0 0 "[ . 1 . 2 .]" 1
482 1 29 ILE HB 1 29 ILE QG 1.800 . 6.500 1.959 1.930 2.006 . 0 0 "[ . 1 . 2 .]" 1
483 1 29 ILE HB 1 29 ILE MD 1.800 . 6.500 2.888 2.308 3.256 . 0 0 "[ . 1 . 2 .]" 1
484 1 29 ILE HA 1 29 ILE MG 1.800 . 6.500 2.315 2.146 2.488 . 0 0 "[ . 1 . 2 .]" 1
485 1 29 ILE MG 1 42 VAL HA 1.800 . 6.500 4.589 3.835 5.332 . 0 0 "[ . 1 . 2 .]" 1
486 1 29 ILE MD 1 42 VAL HA 1.800 . 6.500 2.807 2.052 3.853 . 0 0 "[ . 1 . 2 .]" 1
487 1 29 ILE MD 1 50 GLU HA 1.800 . 6.500 4.724 4.021 5.180 . 0 0 "[ . 1 . 2 .]" 1
488 1 29 ILE MD 1 50 GLU HG3 1.800 . 7.500 4.332 2.963 6.119 . 0 0 "[ . 1 . 2 .]" 1
489 1 29 ILE MD 1 50 GLU HG2 1.800 . 7.500 4.348 2.699 6.151 . 0 0 "[ . 1 . 2 .]" 1
490 1 29 ILE MD 1 50 GLU QB 1.800 . 7.500 4.252 2.966 5.406 . 0 0 "[ . 1 . 2 .]" 1
491 1 31 VAL HA 1 31 VAL MG1 1.800 . 6.500 2.359 2.294 2.496 . 0 0 "[ . 1 . 2 .]" 1
492 1 31 VAL HA 1 31 VAL MG2 1.800 . 6.500 2.439 2.315 2.570 . 0 0 "[ . 1 . 2 .]" 1
493 1 31 VAL MG1 1 40 TYR QD 1.800 . 7.900 2.951 2.426 3.263 . 0 0 "[ . 1 . 2 .]" 1
494 1 31 VAL MG1 1 40 TYR QE 1.800 . 6.900 2.643 1.299 3.801 0.501 24 1 "[ . 1 . 2 +.]" 1
495 1 31 VAL MG2 1 40 TYR QD 1.800 . 6.900 3.377 2.583 3.910 . 0 0 "[ . 1 . 2 .]" 1
496 1 31 VAL MG2 1 40 TYR QE 1.800 . 7.900 4.034 2.625 5.090 . 0 0 "[ . 1 . 2 .]" 1
497 1 31 VAL MG2 1 40 TYR HA 1.800 . 6.500 5.182 4.805 5.307 . 0 0 "[ . 1 . 2 .]" 1
498 1 8 VAL HB 1 31 VAL MG1 1.800 . 6.500 4.888 4.140 5.369 . 0 0 "[ . 1 . 2 .]" 1
499 1 7 LYS HA 1 31 VAL MG2 1.800 . 6.500 2.842 1.567 3.731 0.233 15 0 "[ . 1 . 2 .]" 1
500 1 7 LYS HA 1 31 VAL MG1 1.800 . 6.500 3.388 2.382 4.734 . 0 0 "[ . 1 . 2 .]" 1
501 1 31 VAL MG1 1 40 TYR HA 1.800 . 6.500 4.799 4.257 5.233 . 0 0 "[ . 1 . 2 .]" 1
502 1 31 VAL MG1 1 36 GLY HA3 1.800 . 7.500 5.415 4.416 6.291 . 0 0 "[ . 1 . 2 .]" 1
503 1 31 VAL MG1 1 36 GLY HA2 1.800 . 7.500 4.108 3.097 4.969 . 0 0 "[ . 1 . 2 .]" 1
504 1 38 PRO HA 1 39 PRO HA 1.800 . 5.000 2.323 2.124 2.667 . 0 0 "[ . 1 . 2 .]" 1
505 1 38 PRO HA 1 40 TYR QD 1.800 . 6.500 3.111 2.181 3.821 . 0 0 "[ . 1 . 2 .]" 1
506 1 38 PRO HA 1 40 TYR QE 1.800 . 6.500 3.230 2.830 3.737 . 0 0 "[ . 1 . 2 .]" 1
507 1 38 PRO HB3 1 39 PRO HA 1.800 . 6.000 2.334 1.972 2.923 . 0 0 "[ . 1 . 2 .]" 1
508 1 38 PRO HB2 1 39 PRO HA 1.800 . 6.000 2.786 2.003 3.279 . 0 0 "[ . 1 . 2 .]" 1
509 1 39 PRO QD 1 52 THR MG 1.800 . 7.000 4.889 4.213 5.280 . 0 0 "[ . 1 . 2 .]" 1
510 1 31 VAL HA 1 40 TYR HA 1.800 . 5.000 3.789 3.144 4.130 . 0 0 "[ . 1 . 2 .]" 1
511 1 31 VAL HA 1 40 TYR QD 1.800 . 6.500 2.862 2.230 3.501 . 0 0 "[ . 1 . 2 .]" 1
512 1 31 VAL HA 1 40 TYR QE 1.800 . 7.000 4.245 2.784 5.147 . 0 0 "[ . 1 . 2 .]" 1
513 1 40 TYR QE 1 61 VAL QG 1.800 . 8.800 5.305 4.853 5.650 . 0 0 "[ . 1 . 2 .]" 1
514 1 26 ALA MB 1 42 VAL HB 1.800 . 6.500 3.700 3.429 4.013 . 0 0 "[ . 1 . 2 .]" 1
515 1 29 ILE MD 1 42 VAL HB 1.800 . 6.500 4.919 4.293 5.294 . 0 0 "[ . 1 . 2 .]" 1
516 1 42 VAL HA 1 42 VAL MG1 1.800 . 6.500 3.012 2.367 3.140 . 0 0 "[ . 1 . 2 .]" 1
517 1 42 VAL HA 1 42 VAL MG2 1.800 . 6.500 2.183 2.137 2.422 . 0 0 "[ . 1 . 2 .]" 1
518 1 12 LEU MD2 1 42 VAL MG1 1.800 . 8.500 4.589 3.637 5.381 . 0 0 "[ . 1 . 2 .]" 1
519 1 12 LEU MD1 1 42 VAL MG1 1.800 . 9.500 4.566 3.793 5.254 . 0 0 "[ . 1 . 2 .]" 1
520 1 42 VAL MG1 1 43 ARG HA 1.800 . 6.500 3.268 2.970 3.700 . 0 0 "[ . 1 . 2 .]" 1
521 1 42 VAL MG1 1 51 THR MG 1.800 . 8.000 2.669 1.483 4.975 0.317 19 0 "[ . 1 . 2 .]" 1
522 1 42 VAL MG1 1 51 THR HB 1.800 . 7.000 4.532 2.006 5.424 . 0 0 "[ . 1 . 2 .]" 1
523 1 41 VAL HA 1 42 VAL MG1 1.800 . 7.000 4.416 3.866 5.356 . 0 0 "[ . 1 . 2 .]" 1
524 1 42 VAL MG1 1 78 ALA MB 1.800 . 8.000 4.611 4.134 5.498 . 0 0 "[ . 1 . 2 .]" 1
525 1 28 ILE HA 1 42 VAL MG2 1.800 . 6.500 2.356 1.776 3.663 0.024 23 0 "[ . 1 . 2 .]" 1
526 1 41 VAL HA 1 42 VAL MG2 1.800 . 6.500 4.462 1.862 4.969 . 0 0 "[ . 1 . 2 .]" 1
527 1 40 TYR HA 1 42 VAL MG2 1.800 . 6.500 5.106 4.037 5.294 . 0 0 "[ . 1 . 2 .]" 1
528 1 40 TYR HB3 1 42 VAL MG2 1.800 . 7.500 3.132 2.177 3.397 . 0 0 "[ . 1 . 2 .]" 1
529 1 40 TYR HB2 1 42 VAL MG2 1.800 . 7.500 3.476 2.213 3.931 . 0 0 "[ . 1 . 2 .]" 1
530 1 40 TYR QD 1 42 VAL MG2 1.800 . 7.500 4.295 3.712 4.622 . 0 0 "[ . 1 . 2 .]" 1
531 1 44 TRP HA 1 44 TRP HE3 1.800 . 6.000 3.108 1.812 4.940 . 0 0 "[ . 1 . 2 .]" 1
532 1 44 TRP HH2 1 75 ALA HA 1.800 . 6.500 4.258 3.444 5.933 . 0 0 "[ . 1 . 2 .]" 1
533 1 44 TRP HH2 1 78 ALA MB 1.800 . 6.000 2.504 1.905 3.992 . 0 0 "[ . 1 . 2 .]" 1
534 1 44 TRP HZ2 1 75 ALA HA 1.800 . 6.000 5.134 3.377 5.694 . 0 0 "[ . 1 . 2 .]" 1
535 1 44 TRP HZ2 1 78 ALA MB 1.800 . 6.000 3.786 1.739 4.703 0.061 19 0 "[ . 1 . 2 .]" 1
536 1 42 VAL MG1 1 44 TRP HZ2 1.800 . 6.500 3.905 3.123 4.520 . 0 0 "[ . 1 . 2 .]" 1
537 1 42 VAL MG1 1 44 TRP HD1 1.800 . 6.500 4.623 1.834 5.448 . 0 0 "[ . 1 . 2 .]" 1
538 1 44 TRP HD1 1 51 THR MG 1.800 . 6.000 3.727 2.510 5.002 . 0 0 "[ . 1 . 2 .]" 1
539 1 44 TRP HD1 1 75 ALA MB 2.500 2.500 7.200 4.663 2.437 5.541 0.063 19 0 "[ . 1 . 2 .]" 1
540 1 45 LEU HB3 1 45 LEU MD1 1.800 . 6.000 2.384 2.199 3.136 . 0 0 "[ . 1 . 2 .]" 1
541 1 45 LEU HB2 1 45 LEU MD1 1.800 . 6.000 2.317 2.137 2.498 . 0 0 "[ . 1 . 2 .]" 1
542 1 45 LEU MD1 1 46 VAL MG1 2.000 . 8.200 3.794 2.145 4.775 . 0 0 "[ . 1 . 2 .]" 1
543 1 45 LEU MD1 1 46 VAL MG2 1.800 . 7.000 3.822 1.355 4.480 0.445 11 0 "[ . 1 . 2 .]" 1
544 1 45 LEU MD2 1 46 VAL MG1 2.500 2.500 8.700 5.185 4.384 5.607 . 0 0 "[ . 1 . 2 .]" 1
545 1 45 LEU MD2 1 46 VAL MG2 2.500 2.500 8.700 4.806 3.767 5.418 . 0 0 "[ . 1 . 2 .]" 1
546 1 45 LEU MD1 1 46 VAL HA 1.800 . 8.000 5.106 2.872 5.853 . 0 0 "[ . 1 . 2 .]" 1
547 1 45 LEU MD2 1 46 VAL HA 1.800 . 8.000 5.773 5.458 6.068 . 0 0 "[ . 1 . 2 .]" 1
548 1 46 VAL HB 1 68 ALA HA 1.800 . 7.000 4.340 3.619 5.872 . 0 0 "[ . 1 . 2 .]" 1
549 1 46 VAL MG1 1 47 ASN HA 1.800 . 6.500 5.378 3.560 5.487 . 0 0 "[ . 1 . 2 .]" 1
550 1 46 VAL MG1 1 68 ALA HA 1.800 . 5.500 2.769 1.578 4.453 0.222 7 0 "[ . 1 . 2 .]" 1
551 1 46 VAL MG1 1 68 ALA MB 1.800 . 7.000 3.205 2.495 4.255 . 0 0 "[ . 1 . 2 .]" 1
552 1 46 VAL MG2 1 68 ALA HA 1.800 . 6.500 2.557 1.377 3.225 0.423 15 0 "[ . 1 . 2 .]" 1
553 1 46 VAL MG2 1 68 ALA MB 1.800 . 8.000 3.619 2.360 4.431 . 0 0 "[ . 1 . 2 .]" 1
554 1 42 VAL MG1 1 50 GLU HA 1.800 . 6.500 4.429 3.970 5.205 . 0 0 "[ . 1 . 2 .]" 1
555 1 50 GLU HA 1 51 THR MG 1.800 . 6.500 3.650 3.150 5.391 . 0 0 "[ . 1 . 2 .]" 1
556 1 43 ARG HA 1 50 GLU HA 1.800 . 3.000 2.145 1.794 2.508 0.006 4 0 "[ . 1 . 2 .]" 1
557 1 43 ARG QG 1 50 GLU HA 1.800 . 6.000 2.926 2.213 4.516 . 0 0 "[ . 1 . 2 .]" 1
558 1 43 ARG HA 1 50 GLU HG3 1.800 . 6.000 3.912 2.687 5.592 . 0 0 "[ . 1 . 2 .]" 1
559 1 43 ARG HA 1 50 GLU HG2 1.800 . 6.000 4.335 2.461 5.895 . 0 0 "[ . 1 . 2 .]" 1
560 1 41 VAL QG 1 51 THR HB 1.800 . 8.000 5.695 5.289 5.800 . 0 0 "[ . 1 . 2 .]" 1
561 1 51 THR MG 1 75 ALA MB 1.800 . 8.000 5.324 4.915 5.456 . 0 0 "[ . 1 . 2 .]" 1
562 1 41 VAL HA 1 52 THR HA 1.800 . 3.000 2.179 1.982 2.483 . 0 0 "[ . 1 . 2 .]" 1
563 1 52 THR HB 1 54 TYR QE 1.800 . 6.500 5.242 4.229 6.010 . 0 0 "[ . 1 . 2 .]" 1
564 1 52 THR MG 1 54 TYR QE 1.800 . 7.500 3.960 3.291 4.440 . 0 0 "[ . 1 . 2 .]" 1
565 1 39 PRO QD 1 54 TYR QE 1.800 . 7.000 3.498 2.651 4.441 . 0 0 "[ . 1 . 2 .]" 1
566 1 39 PRO QD 1 54 TYR QD 1.800 . 8.000 4.398 3.727 5.173 . 0 0 "[ . 1 . 2 .]" 1
567 1 39 PRO QG 1 54 TYR QE 1.800 . 7.000 2.751 2.095 3.427 . 0 0 "[ . 1 . 2 .]" 1
568 1 39 PRO QG 1 54 TYR QD 1.800 . 8.000 4.102 2.637 5.006 . 0 0 "[ . 1 . 2 .]" 1
569 1 52 THR MG 1 54 TYR QD 1.800 . 7.500 4.715 4.031 5.272 . 0 0 "[ . 1 . 2 .]" 1
570 1 53 VAL QG 1 55 PRO HA 1.800 . 6.800 4.027 3.192 4.845 . 0 0 "[ . 1 . 2 .]" 1
571 1 55 PRO HA 1 59 ALA MB 1.800 . 6.500 5.256 5.123 5.297 . 0 0 "[ . 1 . 2 .]" 1
572 1 4 MET ME 1 55 PRO HG3 1.800 . 7.500 4.998 3.135 6.123 . 0 0 "[ . 1 . 2 .]" 1
573 1 14 VAL HA 1 59 ALA HA 1.800 . 3.000 2.700 1.800 3.017 0.017 25 0 "[ . 1 . 2 .]" 1
574 1 12 LEU HG 1 59 ALA MB 1.800 . 6.500 2.882 1.975 3.788 . 0 0 "[ . 1 . 2 .]" 1
575 1 12 LEU MD2 1 59 ALA MB 1.800 . 7.400 3.164 2.782 3.787 . 0 0 "[ . 1 . 2 .]" 1
576 1 14 VAL HA 1 59 ALA MB 1.800 . 6.500 4.094 3.295 4.571 . 0 0 "[ . 1 . 2 .]" 1
577 1 55 PRO HB3 1 59 ALA MB 1.800 . 7.000 3.811 3.443 4.100 . 0 0 "[ . 1 . 2 .]" 1
578 1 55 PRO HB2 1 59 ALA MB 1.800 . 7.000 2.956 2.632 3.173 . 0 0 "[ . 1 . 2 .]" 1
579 1 55 PRO HG3 1 59 ALA MB 1.800 . 8.500 3.532 2.671 5.006 . 0 0 "[ . 1 . 2 .]" 1
580 1 55 PRO HG2 1 59 ALA MB 1.800 . 8.500 3.092 2.392 4.153 . 0 0 "[ . 1 . 2 .]" 1
581 1 59 ALA HA 1 60 VAL MG2 1.800 . 7.400 3.876 3.085 5.487 . 0 0 "[ . 1 . 2 .]" 1
582 1 59 ALA HA 1 60 VAL MG1 1.800 . 7.400 4.718 3.514 5.453 . 0 0 "[ . 1 . 2 .]" 1
583 1 12 LEU HA 1 61 VAL HA 1.800 . 3.500 2.723 2.002 3.241 . 0 0 "[ . 1 . 2 .]" 1
584 1 61 VAL HA 1 61 VAL QG 1.800 . 7.400 2.150 2.119 2.362 . 0 0 "[ . 1 . 2 .]" 1
585 1 61 VAL HB 1 61 VAL QG 1.800 . 7.400 1.895 1.889 1.898 . 0 0 "[ . 1 . 2 .]" 1
586 1 62 VAL HA 1 63 THR MG 1.800 . 6.500 3.774 3.351 5.263 . 0 0 "[ . 1 . 2 .]" 1
587 1 62 VAL HB 1 63 THR MG 1.800 . 6.500 4.426 3.326 5.221 . 0 0 "[ . 1 . 2 .]" 1
588 1 62 VAL HB 1 67 HIS HB3 1.800 . 6.000 5.111 4.692 5.393 . 0 0 "[ . 1 . 2 .]" 1
589 1 62 VAL HB 1 67 HIS HB2 1.800 . 6.000 4.995 3.391 5.538 . 0 0 "[ . 1 . 2 .]" 1
590 1 62 VAL HB 1 66 GLU QB 1.800 . 6.500 2.175 1.608 4.544 0.192 20 0 "[ . 1 . 2 .]" 1
591 1 13 VAL HA 1 62 VAL MG1 1.800 . 7.000 5.184 4.633 5.703 . 0 0 "[ . 1 . 2 .]" 1
592 1 61 VAL HA 1 62 VAL MG1 1.800 . 6.500 4.134 3.653 4.523 . 0 0 "[ . 1 . 2 .]" 1
593 1 62 VAL MG1 1 67 HIS HA 1.800 . 6.500 5.117 4.250 5.339 . 0 0 "[ . 1 . 2 .]" 1
594 1 62 VAL MG1 1 66 GLU QB 1.800 . 7.500 2.437 1.924 4.576 . 0 0 "[ . 1 . 2 .]" 1
595 1 62 VAL MG1 1 66 GLU QG 1.800 . 8.500 2.754 1.698 5.046 0.102 2 0 "[ . 1 . 2 .]" 1
596 1 62 VAL MG1 1 67 HIS HB3 1.800 . 7.500 5.886 2.981 6.251 . 0 0 "[ . 1 . 2 .]" 1
597 1 62 VAL MG1 1 67 HIS HB2 1.800 . 7.500 5.734 1.792 6.242 0.008 24 0 "[ . 1 . 2 .]" 1
598 1 62 VAL MG2 1 67 HIS HB3 1.800 . 6.900 4.708 2.999 5.571 . 0 0 "[ . 1 . 2 .]" 1
599 1 62 VAL MG2 1 67 HIS HB2 1.800 . 6.900 4.065 2.462 5.076 . 0 0 "[ . 1 . 2 .]" 1
600 1 62 VAL MG2 1 66 GLU QB 1.800 . 6.500 3.007 2.076 4.492 . 0 0 "[ . 1 . 2 .]" 1
601 1 62 VAL MG2 1 66 GLU QG 1.800 . 7.500 4.281 3.258 5.098 . 0 0 "[ . 1 . 2 .]" 1
602 1 62 VAL MG2 1 67 HIS HA 1.800 . 6.000 3.859 3.034 4.561 . 0 0 "[ . 1 . 2 .]" 1
603 1 63 THR HA 1 64 ALA MB 1.800 . 6.500 4.337 3.993 4.448 . 0 0 "[ . 1 . 2 .]" 1
604 1 63 THR HB 1 64 ALA MB 1.800 . 6.500 3.992 3.378 5.098 . 0 0 "[ . 1 . 2 .]" 1
605 1 63 THR HB 1 66 GLU QG 1.800 . 6.000 4.870 3.913 5.405 . 0 0 "[ . 1 . 2 .]" 1
606 1 63 THR MG 1 66 GLU QG 1.800 . 7.300 4.120 1.969 5.410 . 0 0 "[ . 1 . 2 .]" 1
607 1 63 THR MG 1 66 GLU QB 1.800 . 7.500 4.498 2.144 5.429 . 0 0 "[ . 1 . 2 .]" 1
608 1 64 ALA MB 1 65 THR HA 1.800 . 5.500 3.726 3.512 3.811 . 0 0 "[ . 1 . 2 .]" 1
609 1 64 ALA MB 1 65 THR HB 1.800 . 6.500 5.212 4.789 5.302 . 0 0 "[ . 1 . 2 .]" 1
610 1 64 ALA MB 1 65 THR MG 1.800 . 8.000 3.490 2.778 3.859 . 0 0 "[ . 1 . 2 .]" 1
611 1 65 THR HA 1 65 THR MG 1.800 . 6.500 2.162 2.120 2.202 . 0 0 "[ . 1 . 2 .]" 1
612 1 65 THR HA 1 68 ALA MB 1.800 . 6.000 3.601 1.881 4.168 . 0 0 "[ . 1 . 2 .]" 1
613 1 65 THR HB 1 68 ALA MB 1.800 . 6.500 5.163 3.728 5.299 . 0 0 "[ . 1 . 2 .]" 1
614 1 66 GLU HA 1 66 GLU QG 1.800 . 6.500 2.801 2.371 3.283 . 0 0 "[ . 1 . 2 .]" 1
615 1 68 ALA MB 1 69 GLU HG2 1.800 . 8.000 3.374 2.272 4.313 . 0 0 "[ . 1 . 2 .]" 1
616 1 46 VAL HB 1 68 ALA MB 1.800 . 7.000 4.738 3.392 5.749 . 0 0 "[ . 1 . 2 .]" 1
617 1 69 GLU HA 1 69 GLU QG 1.800 . 6.500 3.231 2.614 3.423 . 0 0 "[ . 1 . 2 .]" 1
618 1 69 GLU QB 1 69 GLU QG 1.800 . 5.500 2.057 2.014 2.110 . 0 0 "[ . 1 . 2 .]" 1
619 1 69 GLU HA 1 72 LYS HB3 1.800 . 6.000 4.642 3.332 5.382 . 0 0 "[ . 1 . 2 .]" 1
620 1 69 GLU HA 1 72 LYS HB2 1.800 . 6.000 3.759 3.140 5.504 . 0 0 "[ . 1 . 2 .]" 1
621 1 69 GLU HA 1 72 LYS QG 1.800 . 6.000 3.784 2.440 5.387 . 0 0 "[ . 1 . 2 .]" 1
622 1 69 GLU HA 1 72 LYS HD3 1.800 . 6.500 4.691 3.091 6.172 . 0 0 "[ . 1 . 2 .]" 1
623 1 69 GLU HA 1 72 LYS HD2 1.800 . 6.500 4.190 2.478 6.503 0.003 2 0 "[ . 1 . 2 .]" 1
624 1 69 GLU HA 1 72 LYS QE 1.800 . 7.500 4.587 1.488 6.732 0.312 18 0 "[ . 1 . 2 .]" 1
625 1 65 THR MG 1 69 GLU QG 1.800 . 7.500 5.451 5.304 5.551 . 0 0 "[ . 1 . 2 .]" 1
626 1 65 THR HB 1 69 GLU QG 1.800 . 6.000 5.335 4.910 5.419 . 0 0 "[ . 1 . 2 .]" 1
627 1 65 THR HA 1 69 GLU QG 1.800 . 6.000 5.248 4.886 5.421 . 0 0 "[ . 1 . 2 .]" 1
628 1 67 HIS HA 1 70 ALA MB 1.800 . 6.000 3.405 2.863 4.181 . 0 0 "[ . 1 . 2 .]" 1
629 1 71 GLU HA 1 74 ALA MB 1.800 . 6.500 2.903 2.058 4.019 . 0 0 "[ . 1 . 2 .]" 1
630 1 72 LYS HA 1 72 LYS QG 1.800 . 6.000 2.548 2.260 3.462 . 0 0 "[ . 1 . 2 .]" 1
631 1 72 LYS HA 1 72 LYS HD3 1.800 . 5.000 4.226 2.454 4.794 . 0 0 "[ . 1 . 2 .]" 1
632 1 72 LYS HA 1 72 LYS HD2 1.800 . 5.000 4.333 1.884 4.831 . 0 0 "[ . 1 . 2 .]" 1
633 1 72 LYS HA 1 75 ALA MB 1.800 . 6.000 3.480 2.895 4.098 . 0 0 "[ . 1 . 2 .]" 1
634 1 73 ARG HA 1 73 ARG HD3 1.800 . 6.500 4.183 2.618 5.538 . 0 0 "[ . 1 . 2 .]" 1
635 1 73 ARG HA 1 73 ARG HD2 1.800 . 6.500 4.204 2.043 5.544 . 0 0 "[ . 1 . 2 .]" 1
636 1 73 ARG HA 1 76 ALA MB 1.800 . 6.500 3.032 2.456 3.329 . 0 0 "[ . 1 . 2 .]" 1
637 1 74 ALA MB 1 75 ALA MB 1.800 . 8.000 3.942 3.461 4.145 . 0 0 "[ . 1 . 2 .]" 1
638 1 74 ALA MB 1 77 ARG QB 1.800 . 7.500 3.796 3.148 5.097 . 0 0 "[ . 1 . 2 .]" 1
639 1 75 ALA MB 1 76 ALA MB 1.800 . 8.000 3.901 3.766 4.002 . 0 0 "[ . 1 . 2 .]" 1
640 1 75 ALA HA 1 78 ALA MB 1.800 . 6.500 2.599 1.964 4.239 . 0 0 "[ . 1 . 2 .]" 1
641 1 73 ARG HB3 1 76 ALA MB 1.800 . 7.300 4.829 4.038 5.472 . 0 0 "[ . 1 . 2 .]" 1
642 1 73 ARG HB2 1 76 ALA MB 1.800 . 7.500 5.098 4.498 5.414 . 0 0 "[ . 1 . 2 .]" 1
643 1 77 ARG HA 1 80 HIS QB 1.800 . 6.000 3.028 1.977 5.012 . 0 0 "[ . 1 . 2 .]" 1
644 1 77 ARG HA 1 77 ARG QG 1.800 . 5.000 2.442 2.187 2.891 . 0 0 "[ . 1 . 2 .]" 1
645 1 77 ARG HA 1 77 ARG HD3 1.800 . 6.000 3.717 1.882 4.648 . 0 0 "[ . 1 . 2 .]" 1
646 1 77 ARG HA 1 77 ARG HD2 1.800 . 6.000 3.772 2.055 4.902 . 0 0 "[ . 1 . 2 .]" 1
647 1 77 ARG QB 1 77 ARG QG 1.800 . 5.500 2.045 1.999 2.089 . 0 0 "[ . 1 . 2 .]" 1
648 1 12 LEU MD2 1 78 ALA MB 1.800 . 7.400 4.203 3.828 4.646 . 0 0 "[ . 1 . 2 .]" 1
649 1 12 LEU MD1 1 78 ALA MB 1.800 . 8.400 5.654 5.196 5.763 . 0 0 "[ . 1 . 2 .]" 1
650 1 75 ALA MB 1 78 ALA MB 1.800 . 8.000 3.754 2.988 5.177 . 0 0 "[ . 1 . 2 .]" 1
651 1 80 HIS HA 1 81 ALA MB 1.800 . 6.500 4.659 3.909 4.997 . 0 0 "[ . 1 . 2 .]" 1
652 1 53 VAL HB 1 78 ALA MB 1.800 . 6.500 4.427 3.487 5.264 . 0 0 "[ . 1 . 2 .]" 1
653 1 55 PRO HA 1 78 ALA HA 1.800 . 5.000 5.024 5.011 5.049 0.049 9 0 "[ . 1 . 2 .]" 1
654 1 55 PRO HA 1 78 ALA MB 1.800 . 6.500 4.153 3.683 4.494 . 0 0 "[ . 1 . 2 .]" 1
655 1 54 TYR QD 1 82 ALA MB 1.800 . 8.500 3.771 2.140 5.768 . 0 0 "[ . 1 . 2 .]" 1
656 1 54 TYR QE 1 82 ALA MB 1.800 . 8.500 4.521 2.433 5.534 . 0 0 "[ . 1 . 2 .]" 1
657 1 53 VAL QG 1 79 GLY H 1.800 . 7.400 4.434 3.933 5.180 . 0 0 "[ . 1 . 2 .]" 1
658 1 53 VAL QG 1 79 GLY HA3 1.800 . 8.400 3.665 3.071 4.439 . 0 0 "[ . 1 . 2 .]" 1
659 1 53 VAL QG 1 79 GLY HA2 1.800 . 8.400 3.370 2.167 4.473 . 0 0 "[ . 1 . 2 .]" 1
660 1 53 VAL HA 1 79 GLY HA3 1.800 . 6.500 6.470 6.177 6.527 0.027 2 0 "[ . 1 . 2 .]" 1
661 1 53 VAL HA 1 79 GLY HA2 1.800 . 6.500 5.702 4.871 6.506 0.006 19 0 "[ . 1 . 2 .]" 1
662 1 53 VAL QG 1 55 PRO HD3 1.800 . 8.400 3.017 2.258 4.285 . 0 0 "[ . 1 . 2 .]" 1
663 1 53 VAL QG 1 55 PRO HD2 1.800 . 8.400 4.339 3.579 5.582 . 0 0 "[ . 1 . 2 .]" 1
664 1 54 TYR HA 1 55 PRO HD3 1.800 . 5.000 2.296 1.845 2.614 . 0 0 "[ . 1 . 2 .]" 1
665 1 54 TYR HA 1 55 PRO HD2 1.800 . 5.000 2.219 1.895 2.913 . 0 0 "[ . 1 . 2 .]" 1
666 1 42 VAL MG1 1 53 VAL HB 1.800 . 6.500 3.791 2.496 4.806 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 540
_Distance_constraint_stats_list.Viol_total 222.280
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 9 GLY 0.039 0.019 7 0 "[ . 1 . 2 .]"
1 10 ASP 0.775 0.046 7 0 "[ . 1 . 2 .]"
1 11 TYR 0.386 0.053 7 0 "[ . 1 . 2 .]"
1 12 LEU 0.836 0.046 5 0 "[ . 1 . 2 .]"
1 13 VAL 0.355 0.028 2 0 "[ . 1 . 2 .]"
1 14 VAL 0.547 0.045 2 0 "[ . 1 . 2 .]"
1 23 ASP 0.465 0.036 2 0 "[ . 1 . 2 .]"
1 24 GLN 0.082 0.045 2 0 "[ . 1 . 2 .]"
1 26 ALA 0.836 0.046 5 0 "[ . 1 . 2 .]"
1 27 GLU 0.161 0.027 21 0 "[ . 1 . 2 .]"
1 28 ILE 0.814 0.046 7 0 "[ . 1 . 2 .]"
1 29 ILE 0.048 0.010 14 0 "[ . 1 . 2 .]"
1 30 GLU 0.444 0.038 14 0 "[ . 1 . 2 .]"
1 40 TYR 0.425 0.046 7 0 "[ . 1 . 2 .]"
1 41 VAL 0.492 0.038 14 0 "[ . 1 . 2 .]"
1 42 VAL 0.187 0.018 7 0 "[ . 1 . 2 .]"
1 43 ARG 0.161 0.027 21 0 "[ . 1 . 2 .]"
1 44 TRP 0.106 0.016 21 0 "[ . 1 . 2 .]"
1 49 HIS 0.106 0.016 21 0 "[ . 1 . 2 .]"
1 51 THR 0.187 0.018 7 0 "[ . 1 . 2 .]"
1 53 VAL 0.425 0.046 7 0 "[ . 1 . 2 .]"
1 60 VAL 0.355 0.028 2 0 "[ . 1 . 2 .]"
1 62 VAL 0.386 0.053 7 0 "[ . 1 . 2 .]"
1 67 HIS 0.292 0.031 12 0 "[ . 1 . 2 .]"
1 68 ALA 0.624 0.047 4 0 "[ . 1 . 2 .]"
1 69 GLU 1.101 0.063 19 0 "[ . 1 . 2 .]"
1 70 ALA 0.474 0.045 23 0 "[ . 1 . 2 .]"
1 71 GLU 0.494 0.031 12 0 "[ . 1 . 2 .]"
1 72 LYS 1.438 0.047 4 0 "[ . 1 . 2 .]"
1 73 ARG 1.765 0.063 19 0 "[ . 1 . 2 .]"
1 74 ALA 0.886 0.045 23 0 "[ . 1 . 2 .]"
1 75 ALA 0.202 0.030 2 0 "[ . 1 . 2 .]"
1 76 ALA 0.814 0.042 7 0 "[ . 1 . 2 .]"
1 77 ARG 0.664 0.054 25 0 "[ . 1 . 2 .]"
1 78 ALA 0.412 0.031 18 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 TYR H 1 62 VAL O 1.800 . 2.300 2.083 1.809 2.338 0.038 7 0 "[ . 1 . 2 .]" 2
2 1 11 TYR N 1 62 VAL O 2.800 2.800 3.300 2.929 2.787 3.135 0.013 24 0 "[ . 1 . 2 .]" 2
3 1 11 TYR O 1 62 VAL H 1.800 . 2.300 1.935 1.794 2.296 0.006 23 0 "[ . 1 . 2 .]" 2
4 1 11 TYR O 1 62 VAL N 2.800 2.800 3.300 2.842 2.747 3.084 0.053 7 0 "[ . 1 . 2 .]" 2
5 1 13 VAL H 1 60 VAL O 1.800 . 2.300 2.104 1.871 2.319 0.019 2 0 "[ . 1 . 2 .]" 2
6 1 13 VAL N 1 60 VAL O 2.800 2.800 3.300 2.983 2.789 3.291 0.011 8 0 "[ . 1 . 2 .]" 2
7 1 13 VAL O 1 60 VAL H 1.800 . 2.300 1.970 1.803 2.319 0.019 8 0 "[ . 1 . 2 .]" 2
8 1 13 VAL O 1 60 VAL N 2.800 2.800 3.300 2.842 2.772 3.180 0.028 2 0 "[ . 1 . 2 .]" 2
9 1 14 VAL H 1 24 GLN O 1.800 . 3.000 2.829 2.508 3.045 0.045 2 0 "[ . 1 . 2 .]" 2
10 1 14 VAL N 1 24 GLN O 2.800 2.800 4.000 3.408 3.099 3.775 . 0 0 "[ . 1 . 2 .]" 2
11 1 14 VAL H 1 23 ASP O 1.800 . 3.000 1.993 1.794 3.036 0.036 2 0 "[ . 1 . 2 .]" 2
12 1 14 VAL N 1 23 ASP O 2.800 2.800 4.000 2.932 2.775 3.970 0.025 20 0 "[ . 1 . 2 .]" 2
13 1 14 VAL O 1 23 ASP H 1.800 . 2.300 2.216 1.838 2.318 0.018 23 0 "[ . 1 . 2 .]" 2
14 1 14 VAL O 1 23 ASP N 2.800 2.800 3.300 3.051 2.784 3.249 0.016 2 0 "[ . 1 . 2 .]" 2
15 1 12 LEU O 1 26 ALA H 1.800 . 2.300 2.306 2.170 2.345 0.045 20 0 "[ . 1 . 2 .]" 2
16 1 12 LEU O 1 26 ALA N 2.800 2.800 3.300 3.183 3.047 3.246 . 0 0 "[ . 1 . 2 .]" 2
17 1 12 LEU H 1 26 ALA O 1.800 . 2.300 1.972 1.799 2.315 0.015 7 0 "[ . 1 . 2 .]" 2
18 1 12 LEU N 1 26 ALA O 2.800 2.800 3.300 2.863 2.754 3.187 0.046 5 0 "[ . 1 . 2 .]" 2
19 1 10 ASP O 1 28 ILE H 1.800 . 2.300 1.936 1.798 2.302 0.002 7 0 "[ . 1 . 2 .]" 2
20 1 10 ASP O 1 28 ILE N 2.800 2.800 3.300 2.861 2.781 3.266 0.019 21 0 "[ . 1 . 2 .]" 2
21 1 10 ASP H 1 28 ILE O 1.800 . 3.000 3.024 3.007 3.046 0.046 7 0 "[ . 1 . 2 .]" 2
22 1 10 ASP N 1 28 ILE O 2.800 2.800 4.000 3.945 3.790 4.022 0.022 19 0 "[ . 1 . 2 .]" 2
23 1 9 GLY H 1 28 ILE O 1.800 . 3.000 1.997 1.840 2.535 . 0 0 "[ . 1 . 2 .]" 2
24 1 9 GLY N 1 28 ILE O 2.800 2.800 4.000 2.912 2.781 3.261 0.019 7 0 "[ . 1 . 2 .]" 2
25 1 40 TYR H 1 53 VAL O 1.800 . 2.300 2.310 2.298 2.346 0.046 7 0 "[ . 1 . 2 .]" 2
26 1 40 TYR N 1 53 VAL O 2.800 2.800 3.300 3.253 3.167 3.304 0.004 21 0 "[ . 1 . 2 .]" 2
27 1 40 TYR O 1 53 VAL H 1.800 . 2.300 2.221 1.887 2.321 0.021 22 0 "[ . 1 . 2 .]" 2
28 1 40 TYR O 1 53 VAL N 2.800 2.800 3.300 3.089 2.831 3.242 . 0 0 "[ . 1 . 2 .]" 2
29 1 30 GLU O 1 41 VAL H 1.800 . 2.300 2.305 2.128 2.338 0.038 14 0 "[ . 1 . 2 .]" 2
30 1 30 GLU O 1 41 VAL N 2.800 2.800 3.300 3.231 3.047 3.288 . 0 0 "[ . 1 . 2 .]" 2
31 1 30 GLU H 1 41 VAL O 1.800 . 3.000 2.406 2.214 2.713 . 0 0 "[ . 1 . 2 .]" 2
32 1 30 GLU N 1 41 VAL O 2.800 2.800 4.000 3.230 2.939 3.659 . 0 0 "[ . 1 . 2 .]" 2
33 1 29 ILE H 1 41 VAL O 1.800 . 3.000 2.873 2.449 3.010 0.010 14 0 "[ . 1 . 2 .]" 2
34 1 29 ILE N 1 41 VAL O 2.800 2.800 4.000 3.687 3.287 3.894 . 0 0 "[ . 1 . 2 .]" 2
35 1 42 VAL H 1 51 THR O 1.800 . 2.300 1.916 1.809 2.290 . 0 0 "[ . 1 . 2 .]" 2
36 1 42 VAL N 1 51 THR O 2.800 2.800 3.300 2.841 2.786 3.047 0.014 14 0 "[ . 1 . 2 .]" 2
37 1 42 VAL O 1 51 THR H 1.800 . 2.300 1.922 1.809 2.189 . 0 0 "[ . 1 . 2 .]" 2
38 1 42 VAL O 1 51 THR N 2.800 2.800 3.300 2.869 2.782 3.028 0.018 7 0 "[ . 1 . 2 .]" 2
39 1 27 GLU O 1 43 ARG H 1.800 . 2.300 2.040 1.802 2.304 0.004 4 0 "[ . 1 . 2 .]" 2
40 1 27 GLU O 1 43 ARG N 2.800 2.800 3.300 2.924 2.773 3.206 0.027 21 0 "[ . 1 . 2 .]" 2
41 1 27 GLU H 1 43 ARG O 1.800 . 2.300 2.086 1.816 2.313 0.013 25 0 "[ . 1 . 2 .]" 2
42 1 27 GLU N 1 43 ARG O 2.800 2.800 3.300 2.995 2.790 3.206 0.010 11 0 "[ . 1 . 2 .]" 2
43 1 44 TRP H 1 49 HIS O 1.800 . 2.300 2.123 1.815 2.309 0.009 4 0 "[ . 1 . 2 .]" 2
44 1 44 TRP N 1 49 HIS O 2.800 2.800 3.300 2.863 2.784 3.163 0.016 21 0 "[ . 1 . 2 .]" 2
45 1 67 HIS O 1 71 GLU H 1.800 . 2.300 2.067 1.892 2.314 0.014 3 0 "[ . 1 . 2 .]" 2
46 1 67 HIS O 1 71 GLU N 2.800 2.800 3.300 2.835 2.769 3.115 0.031 12 0 "[ . 1 . 2 .]" 2
47 1 68 ALA O 1 72 LYS H 1.800 . 2.300 2.315 2.098 2.347 0.047 4 0 "[ . 1 . 2 .]" 2
48 1 68 ALA O 1 72 LYS N 2.800 2.800 3.300 3.264 2.967 3.313 0.013 13 0 "[ . 1 . 2 .]" 2
49 1 69 GLU O 1 73 ARG H 1.800 . 2.300 2.332 2.306 2.363 0.063 19 0 "[ . 1 . 2 .]" 2
50 1 69 GLU O 1 73 ARG N 2.800 2.800 3.300 3.304 3.230 3.339 0.039 19 0 "[ . 1 . 2 .]" 2
51 1 70 ALA O 1 74 ALA H 1.800 . 2.300 2.002 1.829 2.315 0.015 2 0 "[ . 1 . 2 .]" 2
52 1 70 ALA O 1 74 ALA N 2.800 2.800 3.300 2.790 2.755 2.864 0.045 23 0 "[ . 1 . 2 .]" 2
53 1 71 GLU O 1 75 ALA H 1.800 . 2.300 2.032 1.852 2.330 0.030 2 0 "[ . 1 . 2 .]" 2
54 1 71 GLU O 1 75 ALA N 2.800 2.800 3.300 2.875 2.774 3.258 0.026 24 0 "[ . 1 . 2 .]" 2
55 1 72 LYS O 1 76 ALA H 1.800 . 2.300 2.330 2.315 2.342 0.042 7 0 "[ . 1 . 2 .]" 2
56 1 72 LYS O 1 76 ALA N 2.800 2.800 3.300 3.272 3.172 3.317 0.017 7 0 "[ . 1 . 2 .]" 2
57 1 73 ARG O 1 77 ARG H 1.800 . 2.300 2.279 1.866 2.354 0.054 25 0 "[ . 1 . 2 .]" 2
58 1 73 ARG O 1 77 ARG N 2.800 2.800 3.300 3.161 2.795 3.305 0.005 8 0 "[ . 1 . 2 .]" 2
59 1 74 ALA O 1 78 ALA H 1.800 . 2.300 1.912 1.795 2.303 0.005 19 0 "[ . 1 . 2 .]" 2
60 1 74 ALA O 1 78 ALA N 2.800 2.800 3.300 2.787 2.769 2.882 0.031 18 0 "[ . 1 . 2 .]" 2
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