NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385734 |
1l7y   |
5329 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l7y
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 473
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 265.631
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 13 LYS 0.136 0.021 19 0 "[ . 1 . 2 ]"
1 14 VAL 0.598 0.075 14 0 "[ . 1 . 2 ]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 PHE 0.961 0.093 14 0 "[ . 1 . 2 ]"
1 17 LYS 0.909 0.093 14 0 "[ . 1 . 2 ]"
1 18 ILE 0.103 0.061 13 0 "[ . 1 . 2 ]"
1 19 THR 0.008 0.005 19 0 "[ . 1 . 2 ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 THR 0.149 0.098 13 0 "[ . 1 . 2 ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 PHE 0.162 0.050 24 0 "[ . 1 . 2 ]"
1 29 LYS 0.162 0.050 24 0 "[ . 1 . 2 ]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 LEU 0.190 0.136 11 0 "[ . 1 . 2 ]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 VAL 0.166 0.030 10 0 "[ . 1 . 2 ]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLU 0.242 0.040 13 0 "[ . 1 . 2 ]"
1 36 SER 0.242 0.040 13 0 "[ . 1 . 2 ]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 PHE 0.420 0.055 1 0 "[ . 1 . 2 ]"
1 40 THR 0.066 0.044 18 0 "[ . 1 . 2 ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 0.032 0.030 10 0 "[ . 1 . 2 ]"
1 43 LEU 0.139 0.133 1 0 "[ . 1 . 2 ]"
1 44 LYS 0.080 0.026 4 0 "[ . 1 . 2 ]"
1 45 PHE 0.211 0.136 11 0 "[ . 1 . 2 ]"
1 46 ALA 0.103 0.061 13 0 "[ . 1 . 2 ]"
1 47 ALA 0.098 0.075 7 0 "[ . 1 . 2 ]"
1 48 GLU 0.021 0.011 4 0 "[ . 1 . 2 ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 PHE 1.255 0.080 12 0 "[ . 1 . 2 ]"
1 51 LYS 0.797 0.080 12 0 "[ . 1 . 2 ]"
1 52 VAL 0.376 0.075 7 0 "[ . 1 . 2 ]"
1 53 PRO 1.487 0.122 15 0 "[ . 1 . 2 ]"
1 54 ALA 1.567 0.122 15 0 "[ . 1 . 2 ]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 THR 0.064 0.023 24 0 "[ . 1 . 2 ]"
1 57 SER 0.855 0.068 6 0 "[ . 1 . 2 ]"
1 58 ALA 0.981 0.068 6 0 "[ . 1 . 2 ]"
1 59 ILE 0.382 0.133 1 0 "[ . 1 . 2 ]"
1 60 ILE 0.720 0.108 20 0 "[ . 1 . 2 ]"
1 61 THR 0.178 0.090 24 0 "[ . 1 . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 GLY 2.998 0.115 17 0 "[ . 1 . 2 ]"
1 67 VAL 2.562 0.115 17 0 "[ . 1 . 2 ]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 PRO 0.118 0.044 18 0 "[ . 1 . 2 ]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLN 0.277 0.052 7 0 "[ . 1 . 2 ]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ALA 0.489 0.075 14 0 "[ . 1 . 2 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 ASN 0.320 0.050 7 0 "[ . 1 . 2 ]"
1 76 ILE 0.267 0.078 21 0 "[ . 1 . 2 ]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 LEU 0.320 0.050 7 0 "[ . 1 . 2 ]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 HIS 0.162 0.090 24 0 "[ . 1 . 2 ]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 LEU 0.173 0.033 24 0 "[ . 1 . 2 ]"
1 85 ARG 0.227 0.098 13 0 "[ . 1 . 2 ]"
1 86 LEU 0.179 0.072 9 0 "[ . 1 . 2 ]"
1 87 ILE 0.051 0.026 5 0 "[ . 1 . 2 ]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 ARG 0.078 0.046 12 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 SER H 1 23 ASP H 1.800 . 3.500 2.666 2.208 3.483 . 0 0 "[ . 1 . 2 ]" 1
2 1 35 GLU H 1 36 SER H 1.800 . 4.000 3.114 2.709 4.040 0.040 13 0 "[ . 1 . 2 ]" 1
3 1 39 PHE H 1 40 THR H 1.800 . 3.000 2.647 2.629 2.679 . 0 0 "[ . 1 . 2 ]" 1
4 1 40 THR H 1 41 ALA H 1.800 . 3.000 2.715 2.685 2.758 . 0 0 "[ . 1 . 2 ]" 1
5 1 41 ALA H 1 42 VAL H 1.800 . 3.000 2.530 2.494 2.582 . 0 0 "[ . 1 . 2 ]" 1
6 1 42 VAL H 1 43 LEU H 1.800 . 3.000 2.792 2.748 2.827 . 0 0 "[ . 1 . 2 ]" 1
7 1 43 LEU H 1 44 LYS H 1.800 . 3.000 2.653 2.606 2.713 . 0 0 "[ . 1 . 2 ]" 1
8 1 44 LYS H 1 45 PHE H 1.800 . 3.000 2.777 2.675 2.843 . 0 0 "[ . 1 . 2 ]" 1
9 1 45 PHE H 1 46 ALA H 1.800 . 3.000 2.723 2.604 2.803 . 0 0 "[ . 1 . 2 ]" 1
10 1 46 ALA H 1 47 ALA H 1.800 . 3.000 2.752 2.641 2.816 . 0 0 "[ . 1 . 2 ]" 1
11 1 47 ALA H 1 48 GLU H 1.800 . 3.000 2.674 2.584 2.763 . 0 0 "[ . 1 . 2 ]" 1
12 1 48 GLU H 1 49 GLU H 1.800 . 3.000 2.766 2.623 2.832 . 0 0 "[ . 1 . 2 ]" 1
13 1 50 PHE H 1 51 LYS H 1.800 . 3.000 2.688 2.563 3.080 0.080 12 0 "[ . 1 . 2 ]" 1
14 1 51 LYS H 1 52 VAL H 1.800 . 3.000 2.529 1.901 2.721 . 0 0 "[ . 1 . 2 ]" 1
15 1 55 ALA H 1 56 THR H 1.800 . 4.000 2.716 2.594 2.793 . 0 0 "[ . 1 . 2 ]" 1
16 1 56 THR H 1 57 SER H 1.800 . 3.000 2.847 2.279 3.023 0.023 24 0 "[ . 1 . 2 ]" 1
17 1 64 GLY H 1 65 VAL H 1.800 . 3.000 2.181 2.043 2.274 . 0 0 "[ . 1 . 2 ]" 1
18 1 66 GLY H 1 67 VAL H 1.800 . 4.000 4.086 4.034 4.115 0.115 17 0 "[ . 1 . 2 ]" 1
19 1 70 ALA H 1 71 GLN H 1.800 . 3.000 2.025 1.836 2.363 . 0 0 "[ . 1 . 2 ]" 1
20 1 73 ALA H 1 74 GLY H 1.800 . 3.500 2.816 2.721 2.880 . 0 0 "[ . 1 . 2 ]" 1
21 1 74 GLY H 1 75 ASN H 1.800 . 3.000 2.812 2.755 2.852 . 0 0 "[ . 1 . 2 ]" 1
22 1 75 ASN H 1 76 ILE H 1.800 . 3.000 2.613 2.575 2.655 . 0 0 "[ . 1 . 2 ]" 1
23 1 76 ILE H 1 77 PHE H 1.800 . 3.000 2.746 2.719 2.773 . 0 0 "[ . 1 . 2 ]" 1
24 1 77 PHE H 1 78 LEU H 1.800 . 3.000 2.562 2.521 2.616 . 0 0 "[ . 1 . 2 ]" 1
25 1 78 LEU H 1 79 LYS H 1.800 . 3.000 2.670 2.612 2.727 . 0 0 "[ . 1 . 2 ]" 1
26 1 79 LYS H 1 80 HIS H 1.800 . 3.000 2.597 2.476 2.756 . 0 0 "[ . 1 . 2 ]" 1
27 1 80 HIS H 1 81 GLY H 1.800 . 3.000 2.570 2.379 2.724 . 0 0 "[ . 1 . 2 ]" 1
28 1 82 SER H 1 83 GLU H 1.800 . 3.000 2.184 2.053 2.662 . 0 0 "[ . 1 . 2 ]" 1
29 1 14 VAL H 1 33 VAL H 1.800 . 4.500 3.606 2.972 3.915 . 0 0 "[ . 1 . 2 ]" 1
30 1 17 LYS H 1 84 LEU H 1.800 . 4.500 3.725 3.491 4.009 . 0 0 "[ . 1 . 2 ]" 1
31 1 18 ILE H 1 29 LYS H 1.800 . 4.500 3.041 2.427 3.731 . 0 0 "[ . 1 . 2 ]" 1
32 1 19 THR H 1 86 LEU H 1.800 . 4.500 3.325 3.034 3.621 . 0 0 "[ . 1 . 2 ]" 1
33 1 19 THR H 1 84 LEU H 1.800 . 5.000 4.413 3.941 4.824 . 0 0 "[ . 1 . 2 ]" 1
34 1 21 THR H 1 86 LEU H 1.800 . 5.000 3.462 2.627 4.196 . 0 0 "[ . 1 . 2 ]" 1
35 1 39 PHE H 1 71 GLN H 1.800 . 4.500 4.097 2.933 4.552 0.052 7 0 "[ . 1 . 2 ]" 1
36 1 39 PHE H 1 73 ALA H 1.800 . 5.000 3.919 3.358 4.586 . 0 0 "[ . 1 . 2 ]" 1
37 1 58 ALA H 1 87 ILE H 1.800 . 4.000 3.383 2.981 3.757 . 0 0 "[ . 1 . 2 ]" 1
38 1 58 ALA H 1 89 ARG H 1.800 . 5.000 2.835 2.146 3.840 . 0 0 "[ . 1 . 2 ]" 1
39 1 60 ILE H 1 85 ARG H 1.800 . 5.000 3.252 2.667 3.688 . 0 0 "[ . 1 . 2 ]" 1
40 1 61 THR H 1 64 GLY H 1.800 . 5.000 3.583 3.418 3.717 . 0 0 "[ . 1 . 2 ]" 1
41 1 61 THR H 1 65 VAL H 1.800 . 4.000 2.149 2.037 2.427 . 0 0 "[ . 1 . 2 ]" 1
42 1 13 LYS HA 1 14 VAL H 1.800 . 2.500 2.361 2.277 2.502 0.002 9 0 "[ . 1 . 2 ]" 1
43 1 14 VAL HA 1 15 THR H 1.800 . 2.500 2.208 2.171 2.250 . 0 0 "[ . 1 . 2 ]" 1
44 1 15 THR HA 1 16 PHE H 1.800 . 2.500 2.276 2.216 2.392 . 0 0 "[ . 1 . 2 ]" 1
45 1 16 PHE HA 1 17 LYS H 1.800 . 2.500 2.218 2.168 2.270 . 0 0 "[ . 1 . 2 ]" 1
46 1 17 LYS HA 1 18 ILE H 1.800 . 2.500 2.218 2.193 2.257 . 0 0 "[ . 1 . 2 ]" 1
47 1 18 ILE HA 1 19 THR H 1.800 . 2.500 2.190 2.169 2.260 . 0 0 "[ . 1 . 2 ]" 1
48 1 19 THR HA 1 20 LEU H 1.800 . 2.500 2.265 2.185 2.445 . 0 0 "[ . 1 . 2 ]" 1
49 1 20 LEU HA 1 21 THR H 1.800 . 3.000 2.208 2.171 2.326 . 0 0 "[ . 1 . 2 ]" 1
50 1 29 LYS HA 1 30 VAL H 1.800 . 2.500 2.210 2.180 2.260 . 0 0 "[ . 1 . 2 ]" 1
51 1 30 VAL HA 1 31 LEU H 1.800 . 2.500 2.193 2.176 2.227 . 0 0 "[ . 1 . 2 ]" 1
52 1 31 LEU HA 1 32 SER H 1.800 . 2.500 2.193 2.179 2.214 . 0 0 "[ . 1 . 2 ]" 1
53 1 32 SER HA 1 33 VAL H 1.800 . 3.000 2.198 2.180 2.228 . 0 0 "[ . 1 . 2 ]" 1
54 1 51 LYS HA 1 52 VAL H 1.800 . 3.000 2.878 2.793 2.935 . 0 0 "[ . 1 . 2 ]" 1
55 1 53 PRO HA 1 54 ALA H 1.800 . 3.500 2.194 2.160 2.227 . 0 0 "[ . 1 . 2 ]" 1
56 1 57 SER HA 1 58 ALA H 1.800 . 3.000 2.318 2.252 2.376 . 0 0 "[ . 1 . 2 ]" 1
57 1 58 ALA HA 1 59 ILE H 1.800 . 2.500 2.473 2.331 2.532 0.032 11 0 "[ . 1 . 2 ]" 1
58 1 59 ILE HA 1 60 ILE H 1.800 . 2.500 2.193 2.177 2.237 . 0 0 "[ . 1 . 2 ]" 1
59 1 60 ILE HA 1 61 THR H 1.800 . 3.000 2.526 2.465 2.612 . 0 0 "[ . 1 . 2 ]" 1
60 1 61 THR HA 1 62 ASN H 1.800 . 3.500 2.443 2.347 2.556 . 0 0 "[ . 1 . 2 ]" 1
61 1 64 GLY HA3 1 65 VAL H 1.800 . 4.000 3.584 3.565 3.591 . 0 0 "[ . 1 . 2 ]" 1
62 1 64 GLY HA2 1 65 VAL H 1.800 . 4.000 2.707 2.620 2.807 . 0 0 "[ . 1 . 2 ]" 1
63 1 65 VAL HA 1 66 GLY H 1.800 . 3.000 2.190 2.181 2.207 . 0 0 "[ . 1 . 2 ]" 1
64 1 66 GLY HA3 1 67 VAL H 1.800 . 3.500 3.508 3.491 3.527 0.027 4 0 "[ . 1 . 2 ]" 1
65 1 66 GLY HA2 1 67 VAL H 1.800 . 3.500 2.312 2.286 2.350 . 0 0 "[ . 1 . 2 ]" 1
66 1 67 VAL HA 1 68 ASN H 1.800 . 3.000 2.196 2.181 2.234 . 0 0 "[ . 1 . 2 ]" 1
67 1 83 GLU HA 1 84 LEU H 1.800 . 2.500 2.211 2.153 2.339 . 0 0 "[ . 1 . 2 ]" 1
68 1 84 LEU HA 1 85 ARG H 1.800 . 2.500 2.479 2.395 2.533 0.033 24 0 "[ . 1 . 2 ]" 1
69 1 85 ARG HA 1 86 LEU H 1.800 . 2.500 2.342 2.267 2.414 . 0 0 "[ . 1 . 2 ]" 1
70 1 86 LEU HA 1 87 ILE H 1.800 . 2.500 2.183 2.164 2.240 . 0 0 "[ . 1 . 2 ]" 1
71 1 88 PRO HA 1 89 ARG H 1.800 . 4.000 2.328 2.199 2.724 . 0 0 "[ . 1 . 2 ]" 1
72 1 33 VAL HA 1 34 PRO HD3 1.800 . 3.000 2.050 2.002 2.081 . 0 0 "[ . 1 . 2 ]" 1
73 1 33 VAL HA 1 34 PRO HD2 1.800 . 3.000 2.579 2.523 2.620 . 0 0 "[ . 1 . 2 ]" 1
74 1 37 THR HA 1 38 PRO HD3 1.800 . 3.000 1.948 1.913 1.993 . 0 0 "[ . 1 . 2 ]" 1
75 1 37 THR HA 1 38 PRO HD2 1.800 . 3.000 2.250 2.187 2.372 . 0 0 "[ . 1 . 2 ]" 1
76 1 52 VAL HA 1 53 PRO HD3 1.800 . 3.000 2.019 1.949 2.060 . 0 0 "[ . 1 . 2 ]" 1
77 1 52 VAL HA 1 53 PRO HD2 1.800 . 3.000 2.583 2.529 2.648 . 0 0 "[ . 1 . 2 ]" 1
78 1 68 ASN HA 1 69 PRO HD3 1.800 . 3.000 2.009 1.967 2.054 . 0 0 "[ . 1 . 2 ]" 1
79 1 68 ASN HA 1 69 PRO HD2 1.800 . 3.000 2.672 2.612 2.746 . 0 0 "[ . 1 . 2 ]" 1
80 1 71 GLN HA 1 72 PRO HD3 1.800 . 3.000 2.051 1.987 2.113 . 0 0 "[ . 1 . 2 ]" 1
81 1 71 GLN HA 1 72 PRO HD2 1.800 . 3.000 2.654 2.557 2.743 . 0 0 "[ . 1 . 2 ]" 1
82 1 71 GLN H 1 72 PRO QD 1.800 . 5.000 4.323 4.288 4.336 . 0 0 "[ . 1 . 2 ]" 1
83 1 87 ILE HA 1 88 PRO HD3 1.800 . 3.000 1.989 1.929 2.039 . 0 0 "[ . 1 . 2 ]" 1
84 1 87 ILE HA 1 88 PRO HD2 1.800 . 3.000 2.332 2.175 2.639 . 0 0 "[ . 1 . 2 ]" 1
85 1 68 ASN HA 1 70 ALA H 1.800 . 5.000 4.715 4.669 4.797 . 0 0 "[ . 1 . 2 ]" 1
86 1 40 THR HA 1 43 LEU H 1.800 . 4.000 3.918 3.802 4.004 0.004 2 0 "[ . 1 . 2 ]" 1
87 1 41 ALA HA 1 44 LYS H 1.800 . 4.000 3.370 3.311 3.433 . 0 0 "[ . 1 . 2 ]" 1
88 1 42 VAL HA 1 45 PHE H 1.800 . 4.000 3.703 3.580 3.801 . 0 0 "[ . 1 . 2 ]" 1
89 1 43 LEU HA 1 46 ALA H 1.800 . 4.000 3.529 3.403 3.621 . 0 0 "[ . 1 . 2 ]" 1
90 1 44 LYS HA 1 47 ALA H 1.800 . 4.000 3.732 3.535 3.941 . 0 0 "[ . 1 . 2 ]" 1
91 1 45 PHE HA 1 48 GLU H 1.800 . 4.000 3.507 3.363 3.702 . 0 0 "[ . 1 . 2 ]" 1
92 1 46 ALA HA 1 49 GLU H 1.800 . 4.000 3.685 3.492 3.818 . 0 0 "[ . 1 . 2 ]" 1
93 1 74 GLY QA 1 77 PHE H 1.800 . 5.000 3.645 3.577 3.728 . 0 0 "[ . 1 . 2 ]" 1
94 1 75 ASN HA 1 78 LEU H 1.800 . 4.000 3.333 3.283 3.394 . 0 0 "[ . 1 . 2 ]" 1
95 1 76 ILE HA 1 79 LYS H 1.800 . 4.000 3.733 3.535 3.865 . 0 0 "[ . 1 . 2 ]" 1
96 1 77 PHE HA 1 80 HIS H 1.800 . 5.000 3.982 3.809 4.177 . 0 0 "[ . 1 . 2 ]" 1
97 1 47 ALA HA 1 51 LYS H 1.800 . 5.000 4.426 3.602 4.852 . 0 0 "[ . 1 . 2 ]" 1
98 1 75 ASN HA 1 79 LYS H 1.800 . 5.000 3.836 3.571 4.083 . 0 0 "[ . 1 . 2 ]" 1
99 1 76 ILE HA 1 80 HIS H 1.800 . 5.000 3.452 3.285 3.762 . 0 0 "[ . 1 . 2 ]" 1
100 1 77 PHE HA 1 81 GLY H 1.800 . 5.000 2.238 2.067 2.446 . 0 0 "[ . 1 . 2 ]" 1
101 1 13 LYS HB3 1 14 VAL H 1.800 . 4.000 2.834 2.307 3.809 . 0 0 "[ . 1 . 2 ]" 1
102 1 13 LYS HB2 1 14 VAL H 1.800 . 4.000 3.568 2.403 3.988 . 0 0 "[ . 1 . 2 ]" 1
103 1 14 VAL HB 1 15 THR H 1.800 . 4.000 3.269 3.019 3.522 . 0 0 "[ . 1 . 2 ]" 1
104 1 16 PHE HB3 1 17 LYS H 1.800 . 4.000 3.087 2.873 3.298 . 0 0 "[ . 1 . 2 ]" 1
105 1 16 PHE HB2 1 17 LYS H 1.800 . 4.000 4.034 3.939 4.093 0.093 14 0 "[ . 1 . 2 ]" 1
106 1 17 LYS QB 1 18 ILE H 1.800 . 5.000 3.832 3.454 3.994 . 0 0 "[ . 1 . 2 ]" 1
107 1 28 PHE HB3 1 29 LYS H 1.800 . 4.000 3.762 2.753 4.035 0.035 1 0 "[ . 1 . 2 ]" 1
108 1 28 PHE HB2 1 29 LYS H 1.800 . 4.000 2.798 2.445 4.050 0.050 24 0 "[ . 1 . 2 ]" 1
109 1 34 PRO QB 1 35 GLU H 1.800 . 5.000 2.795 2.668 2.988 . 0 0 "[ . 1 . 2 ]" 1
110 1 38 PRO QB 1 39 PHE H 1.800 . 5.000 2.738 2.634 2.961 . 0 0 "[ . 1 . 2 ]" 1
111 1 45 PHE HB3 1 46 ALA H 1.800 . 4.000 2.995 2.577 3.577 . 0 0 "[ . 1 . 2 ]" 1
112 1 45 PHE HB2 1 46 ALA H 1.800 . 4.000 3.091 2.576 3.593 . 0 0 "[ . 1 . 2 ]" 1
113 1 50 PHE HB3 1 51 LYS H 1.800 . 4.000 3.717 2.124 4.067 0.067 14 0 "[ . 1 . 2 ]" 1
114 1 50 PHE HB2 1 51 LYS H 1.800 . 4.000 3.389 2.280 3.774 . 0 0 "[ . 1 . 2 ]" 1
115 1 53 PRO HB3 1 54 ALA H 1.800 . 4.000 4.059 3.931 4.122 0.122 15 0 "[ . 1 . 2 ]" 1
116 1 53 PRO HB2 1 54 ALA H 1.800 . 4.000 3.640 3.431 3.783 . 0 0 "[ . 1 . 2 ]" 1
117 1 55 ALA MB 1 56 THR H 1.800 . 5.000 2.668 2.505 3.141 . 0 0 "[ . 1 . 2 ]" 1
118 1 57 SER HB3 1 58 ALA H 1.800 . 4.000 3.221 2.691 4.051 0.051 3 0 "[ . 1 . 2 ]" 1
119 1 57 SER HB2 1 58 ALA H 1.800 . 4.000 3.830 2.745 4.068 0.068 6 0 "[ . 1 . 2 ]" 1
120 1 60 ILE HB 1 61 THR H 1.800 . 2.500 2.335 2.215 2.485 . 0 0 "[ . 1 . 2 ]" 1
121 1 62 ASN QB 1 63 ASP H 1.800 . 5.000 3.068 2.899 3.685 . 0 0 "[ . 1 . 2 ]" 1
122 1 69 PRO QB 1 70 ALA H 1.800 . 5.000 4.001 3.981 4.017 . 0 0 "[ . 1 . 2 ]" 1
123 1 70 ALA MB 1 71 GLN H 1.800 . 4.500 2.917 2.366 3.671 . 0 0 "[ . 1 . 2 ]" 1
124 1 73 ALA MB 1 74 GLY H 1.800 . 4.500 2.611 2.515 2.723 . 0 0 "[ . 1 . 2 ]" 1
125 1 76 ILE HB 1 77 PHE H 1.800 . 3.000 2.573 2.512 2.640 . 0 0 "[ . 1 . 2 ]" 1
126 1 77 PHE HB3 1 78 LEU H 1.800 . 4.000 2.675 2.612 2.761 . 0 0 "[ . 1 . 2 ]" 1
127 1 77 PHE HB2 1 78 LEU H 1.800 . 4.000 3.747 3.651 3.840 . 0 0 "[ . 1 . 2 ]" 1
128 1 79 LYS HB3 1 80 HIS H 1.800 . 4.000 2.547 2.229 3.175 . 0 0 "[ . 1 . 2 ]" 1
129 1 79 LYS HB2 1 80 HIS H 1.800 . 4.000 3.036 2.465 3.568 . 0 0 "[ . 1 . 2 ]" 1
130 1 80 HIS HB3 1 81 GLY H 1.800 . 4.000 3.464 3.199 3.716 . 0 0 "[ . 1 . 2 ]" 1
131 1 80 HIS HB2 1 81 GLY H 1.800 . 4.000 2.180 2.065 2.384 . 0 0 "[ . 1 . 2 ]" 1
132 1 82 SER QB 1 83 GLU H 1.800 . 5.000 3.055 2.454 3.902 . 0 0 "[ . 1 . 2 ]" 1
133 1 83 GLU QB 1 84 LEU H 1.800 . 5.000 3.765 3.648 4.001 . 0 0 "[ . 1 . 2 ]" 1
134 1 15 THR MG 1 16 PHE H 1.800 . 5.000 3.276 2.190 3.852 . 0 0 "[ . 1 . 2 ]" 1
135 1 17 LYS QG 1 18 ILE H 1.800 . 5.000 3.472 2.824 4.311 . 0 0 "[ . 1 . 2 ]" 1
136 1 19 THR MG 1 20 LEU H 1.800 . 5.000 2.999 2.136 4.013 . 0 0 "[ . 1 . 2 ]" 1
137 1 44 LYS QG 1 45 PHE H 1.800 . 5.000 4.210 3.628 4.396 . 0 0 "[ . 1 . 2 ]" 1
138 1 59 ILE MG 1 60 ILE H 1.800 . 5.000 2.798 2.415 3.017 . 0 0 "[ . 1 . 2 ]" 1
139 1 65 VAL MG1 1 66 GLY H 1.800 . 4.000 2.807 2.453 2.954 . 0 0 "[ . 1 . 2 ]" 1
140 1 67 VAL MG1 1 68 ASN H 1.800 . 5.000 2.587 2.316 3.882 . 0 0 "[ . 1 . 2 ]" 1
141 1 67 VAL MG2 1 68 ASN H 1.800 . 5.000 4.133 3.882 4.191 . 0 0 "[ . 1 . 2 ]" 1
142 1 69 PRO QD 1 70 ALA H 1.800 . 4.500 4.094 4.054 4.140 . 0 0 "[ . 1 . 2 ]" 1
143 1 76 ILE MG 1 77 PHE H 1.800 . 5.000 3.383 3.245 3.526 . 0 0 "[ . 1 . 2 ]" 1
144 1 20 LEU HG 1 22 SER H 1.800 . 5.000 3.776 2.028 4.990 . 0 0 "[ . 1 . 2 ]" 1
145 1 20 LEU MD1 1 22 SER H 1.800 . 6.000 3.976 2.118 5.075 . 0 0 "[ . 1 . 2 ]" 1
146 1 20 LEU MD2 1 22 SER H 1.800 . 6.000 3.092 1.988 4.729 . 0 0 "[ . 1 . 2 ]" 1
147 1 34 PRO HG2 1 36 SER H 1.800 . 5.000 3.939 3.512 4.584 . 0 0 "[ . 1 . 2 ]" 1
148 1 38 PRO HB2 1 40 THR H 1.800 . 3.000 2.228 2.190 2.303 . 0 0 "[ . 1 . 2 ]" 1
149 1 50 PHE HB3 1 52 VAL H 1.800 . 4.000 3.918 3.766 4.059 0.059 18 0 "[ . 1 . 2 ]" 1
150 1 50 PHE HB2 1 52 VAL H 1.800 . 4.000 3.657 3.086 3.961 . 0 0 "[ . 1 . 2 ]" 1
151 1 61 THR MG 1 63 ASP H 1.800 . 5.000 2.904 1.941 4.240 . 0 0 "[ . 1 . 2 ]" 1
152 1 20 LEU HG 1 23 ASP H 1.800 . 5.000 3.788 2.203 4.874 . 0 0 "[ . 1 . 2 ]" 1
153 1 20 LEU MD2 1 23 ASP H 1.800 . 6.000 2.632 1.813 4.578 . 0 0 "[ . 1 . 2 ]" 1
154 1 34 PRO HG2 1 37 THR H 1.800 . 5.000 2.949 2.619 3.590 . 0 0 "[ . 1 . 2 ]" 1
155 1 38 PRO QG 1 41 ALA H 1.800 . 5.000 2.758 2.693 2.830 . 0 0 "[ . 1 . 2 ]" 1
156 1 53 PRO HB3 1 56 THR H 1.800 . 5.000 4.258 3.943 4.563 . 0 0 "[ . 1 . 2 ]" 1
157 1 53 PRO HB2 1 56 THR H 1.800 . 4.000 2.506 2.208 2.803 . 0 0 "[ . 1 . 2 ]" 1
158 1 72 PRO HB2 1 75 ASN H 1.800 . 4.000 2.997 2.773 3.103 . 0 0 "[ . 1 . 2 ]" 1
159 1 72 PRO HG2 1 75 ASN H 1.800 . 4.000 2.439 2.351 2.578 . 0 0 "[ . 1 . 2 ]" 1
160 1 33 VAL MG2 1 37 THR H 1.800 . 6.000 4.496 4.081 4.703 . 0 0 "[ . 1 . 2 ]" 1
161 1 39 PHE HA 1 42 VAL HB 1.800 . 4.000 2.121 2.046 2.220 . 0 0 "[ . 1 . 2 ]" 1
162 1 41 ALA HA 1 44 LYS QB 1.800 . 5.000 2.315 2.067 2.524 . 0 0 "[ . 1 . 2 ]" 1
163 1 42 VAL HA 1 45 PHE QB 1.800 . 5.000 3.130 2.836 3.315 . 0 0 "[ . 1 . 2 ]" 1
164 1 43 LEU HA 1 46 ALA MB 1.800 . 5.000 2.563 2.374 2.966 . 0 0 "[ . 1 . 2 ]" 1
165 1 44 LYS HA 1 47 ALA MB 1.800 . 5.000 2.895 2.634 3.295 . 0 0 "[ . 1 . 2 ]" 1
166 1 45 PHE HA 1 48 GLU HB3 1.800 . 4.000 3.436 2.549 4.011 0.011 4 0 "[ . 1 . 2 ]" 1
167 1 45 PHE HA 1 48 GLU HB2 1.800 . 4.000 2.757 2.264 3.737 . 0 0 "[ . 1 . 2 ]" 1
168 1 46 ALA HA 1 49 GLU QB 1.800 . 5.000 3.058 2.331 3.502 . 0 0 "[ . 1 . 2 ]" 1
169 1 73 ALA HA 1 76 ILE HB 1.800 . 3.500 2.449 2.324 2.627 . 0 0 "[ . 1 . 2 ]" 1
170 1 75 ASN HA 1 78 LEU HB3 1.800 . 4.000 3.727 2.241 4.013 0.013 11 0 "[ . 1 . 2 ]" 1
171 1 75 ASN HA 1 78 LEU HB2 1.800 . 4.000 2.385 2.219 3.780 . 0 0 "[ . 1 . 2 ]" 1
172 1 76 ILE HA 1 79 LYS QB 1.800 . 5.000 3.309 2.960 3.619 . 0 0 "[ . 1 . 2 ]" 1
173 1 39 PHE HA 1 42 VAL MG2 1.800 . 6.000 2.413 2.212 2.574 . 0 0 "[ . 1 . 2 ]" 1
174 1 41 ALA HA 1 44 LYS QG 1.800 . 6.000 3.984 3.045 4.512 . 0 0 "[ . 1 . 2 ]" 1
175 1 75 ASN HA 1 78 LEU HG 1.800 . 4.000 4.004 3.946 4.050 0.050 7 0 "[ . 1 . 2 ]" 1
176 1 17 LYS HA 1 31 LEU H 1.800 . 5.000 3.743 3.363 3.938 . 0 0 "[ . 1 . 2 ]" 1
177 1 18 ILE HA 1 84 LEU H 1.800 . 5.000 3.427 2.650 3.724 . 0 0 "[ . 1 . 2 ]" 1
178 1 19 THR HA 1 29 LYS H 1.800 . 4.000 3.510 3.258 3.891 . 0 0 "[ . 1 . 2 ]" 1
179 1 20 LEU HA 1 86 LEU H 1.800 . 4.000 2.879 2.282 3.261 . 0 0 "[ . 1 . 2 ]" 1
180 1 18 ILE H 1 30 VAL HA 1.800 . 5.000 3.730 3.244 4.172 . 0 0 "[ . 1 . 2 ]" 1
181 1 16 PHE H 1 32 SER HA 1.800 . 4.000 3.615 3.369 3.750 . 0 0 "[ . 1 . 2 ]" 1
182 1 14 VAL H 1 34 PRO HA 1.800 . 5.000 3.115 2.795 3.693 . 0 0 "[ . 1 . 2 ]" 1
183 1 35 GLU HA 1 74 GLY H 1.800 . 4.000 2.587 2.106 3.432 . 0 0 "[ . 1 . 2 ]" 1
184 1 47 ALA HA 1 52 VAL H 1.800 . 5.000 3.640 3.477 3.795 . 0 0 "[ . 1 . 2 ]" 1
185 1 57 SER HA 1 89 ARG H 1.800 . 4.000 2.047 1.826 2.382 . 0 0 "[ . 1 . 2 ]" 1
186 1 59 ILE HA 1 87 ILE H 1.800 . 4.000 2.904 2.536 3.267 . 0 0 "[ . 1 . 2 ]" 1
187 1 60 ILE HA 1 67 VAL H 1.800 . 3.000 2.034 1.941 2.265 . 0 0 "[ . 1 . 2 ]" 1
188 1 61 THR HA 1 85 ARG H 1.800 . 5.000 3.364 2.920 3.803 . 0 0 "[ . 1 . 2 ]" 1
189 1 17 LYS H 1 82 SER HA 1.800 . 4.000 2.830 2.324 3.380 . 0 0 "[ . 1 . 2 ]" 1
190 1 19 THR H 1 85 ARG HA 1.800 . 4.000 1.976 1.795 2.284 0.005 19 0 "[ . 1 . 2 ]" 1
191 1 60 ILE H 1 86 LEU HA 1.800 . 5.000 3.584 3.330 3.834 . 0 0 "[ . 1 . 2 ]" 1
192 1 58 ALA H 1 88 PRO HA 1.800 . 5.000 3.536 3.134 3.925 . 0 0 "[ . 1 . 2 ]" 1
193 1 15 THR HA 1 32 SER HA 1.800 . 2.500 2.201 2.054 2.328 . 0 0 "[ . 1 . 2 ]" 1
194 1 16 PHE HA 1 82 SER HA 1.800 . 3.000 2.171 2.021 2.318 . 0 0 "[ . 1 . 2 ]" 1
195 1 17 LYS HA 1 30 VAL HA 1.800 . 3.000 2.602 2.153 2.902 . 0 0 "[ . 1 . 2 ]" 1
196 1 57 SER HA 1 88 PRO HA 1.800 . 3.000 2.583 1.897 2.941 . 0 0 "[ . 1 . 2 ]" 1
197 1 59 ILE HA 1 86 LEU HA 1.800 . 3.000 2.418 2.229 2.751 . 0 0 "[ . 1 . 2 ]" 1
198 1 60 ILE HA 1 66 GLY HA3 1.800 . 4.000 3.989 3.808 4.039 0.039 11 0 "[ . 1 . 2 ]" 1
199 1 60 ILE HA 1 66 GLY HA2 1.800 . 4.000 2.243 2.051 2.298 . 0 0 "[ . 1 . 2 ]" 1
200 1 61 THR HA 1 84 LEU HA 1.800 . 4.000 2.238 2.009 2.700 . 0 0 "[ . 1 . 2 ]" 1
201 1 16 PHE H 1 30 VAL MG1 1.800 . 6.000 3.487 3.000 3.806 . 0 0 "[ . 1 . 2 ]" 1
202 1 16 PHE H 1 31 LEU QB 1.800 . 5.000 3.423 3.193 3.911 . 0 0 "[ . 1 . 2 ]" 1
203 1 17 LYS H 1 82 SER HB3 1.800 . 5.000 4.101 3.724 4.534 . 0 0 "[ . 1 . 2 ]" 1
204 1 17 LYS H 1 82 SER HB2 1.800 . 5.000 3.890 2.363 4.763 . 0 0 "[ . 1 . 2 ]" 1
205 1 18 ILE HB 1 29 LYS H 1.800 . 5.000 3.698 3.176 4.021 . 0 0 "[ . 1 . 2 ]" 1
206 1 18 ILE MD 1 29 LYS H 1.800 . 6.000 4.340 3.990 4.514 . 0 0 "[ . 1 . 2 ]" 1
207 1 18 ILE MG 1 29 LYS H 1.800 . 6.000 4.489 4.073 4.757 . 0 0 "[ . 1 . 2 ]" 1
208 1 13 LYS HB3 1 33 VAL H 1.800 . 5.000 3.841 3.300 5.012 0.012 11 0 "[ . 1 . 2 ]" 1
209 1 13 LYS HB2 1 33 VAL H 1.800 . 5.000 4.718 3.453 5.021 0.021 19 0 "[ . 1 . 2 ]" 1
210 1 14 VAL MG2 1 33 VAL H 1.800 . 6.000 3.335 2.970 3.635 . 0 0 "[ . 1 . 2 ]" 1
211 1 14 VAL MG1 1 35 GLU H 1.800 . 6.000 4.226 3.832 4.495 . 0 0 "[ . 1 . 2 ]" 1
212 1 14 VAL MG2 1 35 GLU H 1.800 . 6.000 3.714 3.309 4.117 . 0 0 "[ . 1 . 2 ]" 1
213 1 37 THR H 1 73 ALA MB 1.800 . 6.000 3.621 2.934 3.963 . 0 0 "[ . 1 . 2 ]" 1
214 1 39 PHE H 1 76 ILE MD 1.800 . 6.000 4.695 4.447 4.896 . 0 0 "[ . 1 . 2 ]" 1
215 1 31 LEU MD1 1 45 PHE H 1.800 . 6.000 3.917 3.585 4.124 . 0 0 "[ . 1 . 2 ]" 1
216 1 31 LEU MD2 1 45 PHE H 1.800 . 6.000 3.890 3.653 4.189 . 0 0 "[ . 1 . 2 ]" 1
217 1 47 ALA H 1 59 ILE MD 1.800 . 6.000 4.399 4.031 4.706 . 0 0 "[ . 1 . 2 ]" 1
218 1 47 ALA H 1 86 LEU MD1 1.800 . 6.000 3.285 2.809 3.707 . 0 0 "[ . 1 . 2 ]" 1
219 1 50 PHE H 1 52 VAL MG2 1.800 . 6.000 3.746 3.499 4.265 . 0 0 "[ . 1 . 2 ]" 1
220 1 61 THR H 1 67 VAL MG2 1.800 . 6.000 3.392 2.966 3.905 . 0 0 "[ . 1 . 2 ]" 1
221 1 62 ASN H 1 84 LEU MD2 1.800 . 6.000 4.101 3.567 4.666 . 0 0 "[ . 1 . 2 ]" 1
222 1 60 ILE MD 1 64 GLY H 1.800 . 6.000 4.278 3.820 4.544 . 0 0 "[ . 1 . 2 ]" 1
223 1 64 GLY H 1 65 VAL MG2 1.800 . 6.000 2.987 2.656 3.423 . 0 0 "[ . 1 . 2 ]" 1
224 1 60 ILE HB 1 65 VAL H 1.800 . 4.500 3.316 3.194 3.487 . 0 0 "[ . 1 . 2 ]" 1
225 1 59 ILE MG 1 67 VAL H 1.800 . 5.000 3.964 3.823 4.046 . 0 0 "[ . 1 . 2 ]" 1
226 1 60 ILE MG 1 67 VAL H 1.800 . 5.000 3.422 3.224 3.625 . 0 0 "[ . 1 . 2 ]" 1
227 1 39 PHE QB 1 71 GLN H 1.800 . 6.000 2.985 2.173 3.335 . 0 0 "[ . 1 . 2 ]" 1
228 1 71 GLN H 1 76 ILE MD 1.800 . 6.000 3.538 3.119 4.354 . 0 0 "[ . 1 . 2 ]" 1
229 1 14 VAL MG1 1 74 GLY H 1.800 . 6.000 4.341 4.035 4.560 . 0 0 "[ . 1 . 2 ]" 1
230 1 14 VAL MG2 1 74 GLY H 1.800 . 6.000 3.616 3.371 3.892 . 0 0 "[ . 1 . 2 ]" 1
231 1 35 GLU QB 1 74 GLY H 1.800 . 6.000 3.423 2.628 4.512 . 0 0 "[ . 1 . 2 ]" 1
232 1 14 VAL MG2 1 77 PHE H 1.800 . 6.000 3.887 3.597 4.186 . 0 0 "[ . 1 . 2 ]" 1
233 1 14 VAL MG1 1 78 LEU H 1.800 . 6.000 4.326 4.042 4.572 . 0 0 "[ . 1 . 2 ]" 1
234 1 76 ILE MD 1 80 HIS H 1.800 . 6.000 4.600 4.405 4.831 . 0 0 "[ . 1 . 2 ]" 1
235 1 51 LYS H 1 52 VAL MG2 1.800 . 6.000 3.468 2.390 3.781 . 0 0 "[ . 1 . 2 ]" 1
236 1 56 THR H 1 57 SER QB 1.800 . 5.000 3.902 3.725 4.309 . 0 0 "[ . 1 . 2 ]" 1
237 1 82 SER H 1 83 GLU QB 1.800 . 5.000 3.872 3.607 4.144 . 0 0 "[ . 1 . 2 ]" 1
238 1 15 THR HA 1 32 SER QB 1.800 . 6.000 3.964 3.550 4.249 . 0 0 "[ . 1 . 2 ]" 1
239 1 16 PHE HA 1 82 SER HB3 1.800 . 5.000 3.997 3.112 4.579 . 0 0 "[ . 1 . 2 ]" 1
240 1 16 PHE HA 1 82 SER HB2 1.800 . 5.000 3.613 2.487 4.436 . 0 0 "[ . 1 . 2 ]" 1
241 1 17 LYS HA 1 30 VAL MG2 1.800 . 5.000 3.242 2.857 3.782 . 0 0 "[ . 1 . 2 ]" 1
242 1 20 LEU HA 1 86 LEU HB3 1.800 . 5.000 2.518 2.107 3.684 . 0 0 "[ . 1 . 2 ]" 1
243 1 20 LEU HA 1 86 LEU HB2 1.800 . 5.000 3.571 2.977 4.484 . 0 0 "[ . 1 . 2 ]" 1
244 1 15 THR MG 1 32 SER HA 1.800 . 6.000 3.186 2.354 4.704 . 0 0 "[ . 1 . 2 ]" 1
245 1 14 VAL MG2 1 35 GLU HA 1.800 . 5.000 2.852 2.427 3.302 . 0 0 "[ . 1 . 2 ]" 1
246 1 35 GLU HA 1 73 ALA MB 1.800 . 6.000 2.481 1.939 3.281 . 0 0 "[ . 1 . 2 ]" 1
247 1 39 PHE HA 1 73 ALA MB 1.800 . 6.000 4.232 3.643 4.802 . 0 0 "[ . 1 . 2 ]" 1
248 1 43 LEU HA 1 59 ILE MD 1.800 . 5.000 2.202 1.945 3.121 . 0 0 "[ . 1 . 2 ]" 1
249 1 43 LEU HA 1 86 LEU MD1 1.800 . 6.000 3.945 3.372 4.311 . 0 0 "[ . 1 . 2 ]" 1
250 1 44 LYS HA 1 54 ALA MB 1.800 . 6.000 1.933 1.774 2.341 0.026 4 0 "[ . 1 . 2 ]" 1
251 1 31 LEU MD1 1 46 ALA HA 1.800 . 6.000 2.613 2.381 2.914 . 0 0 "[ . 1 . 2 ]" 1
252 1 47 ALA HA 1 52 VAL MG2 1.800 . 4.000 2.097 1.994 2.289 . 0 0 "[ . 1 . 2 ]" 1
253 1 47 ALA HA 1 86 LEU MD2 1.800 . 5.000 2.922 2.126 3.539 . 0 0 "[ . 1 . 2 ]" 1
254 1 47 ALA MB 1 53 PRO HA 1.800 . 6.000 3.825 3.596 3.997 . 0 0 "[ . 1 . 2 ]" 1
255 1 47 ALA MB 1 54 ALA HA 1.800 . 5.000 2.515 2.317 2.813 . 0 0 "[ . 1 . 2 ]" 1
256 1 43 LEU MD1 1 58 ALA HA 1.800 . 6.000 2.230 1.849 3.843 . 0 0 "[ . 1 . 2 ]" 1
257 1 59 ILE HA 1 86 LEU MD1 1.800 . 6.000 4.271 3.758 4.740 . 0 0 "[ . 1 . 2 ]" 1
258 1 60 ILE HA 1 67 VAL MG2 1.800 . 5.000 2.917 2.615 3.377 . 0 0 "[ . 1 . 2 ]" 1
259 1 61 THR HA 1 84 LEU MD2 1.800 . 5.000 2.299 1.910 2.986 . 0 0 "[ . 1 . 2 ]" 1
260 1 60 ILE MD 1 64 GLY HA3 1.800 . 6.000 4.773 4.628 4.921 . 0 0 "[ . 1 . 2 ]" 1
261 1 60 ILE MD 1 64 GLY HA2 1.800 . 6.000 3.273 3.099 3.442 . 0 0 "[ . 1 . 2 ]" 1
262 1 60 ILE MG 1 66 GLY HA3 1.800 . 4.000 2.935 2.827 3.174 . 0 0 "[ . 1 . 2 ]" 1
263 1 60 ILE MG 1 66 GLY HA2 1.800 . 4.000 1.891 1.692 2.156 0.108 20 0 "[ . 1 . 2 ]" 1
264 1 39 PHE HB3 1 69 PRO HA 1.800 . 5.000 1.879 1.758 2.257 0.042 13 0 "[ . 1 . 2 ]" 1
265 1 39 PHE HB2 1 69 PRO HA 1.800 . 5.000 3.600 3.458 3.970 . 0 0 "[ . 1 . 2 ]" 1
266 1 69 PRO HA 1 76 ILE MD 1.800 . 6.000 4.617 4.444 4.745 . 0 0 "[ . 1 . 2 ]" 1
267 1 14 VAL MG1 1 74 GLY HA3 1.800 . 6.000 3.824 3.572 4.010 . 0 0 "[ . 1 . 2 ]" 1
268 1 14 VAL MG1 1 74 GLY HA2 1.800 . 6.000 2.353 2.017 2.580 . 0 0 "[ . 1 . 2 ]" 1
269 1 14 VAL MG2 1 74 GLY HA3 1.800 . 6.000 4.227 4.017 4.459 . 0 0 "[ . 1 . 2 ]" 1
270 1 14 VAL MG2 1 74 GLY HA2 1.800 . 6.000 3.066 2.835 3.296 . 0 0 "[ . 1 . 2 ]" 1
271 1 35 GLU QB 1 74 GLY HA3 1.800 . 6.000 2.848 2.016 3.801 . 0 0 "[ . 1 . 2 ]" 1
272 1 35 GLU QB 1 74 GLY HA2 1.800 . 6.000 3.564 2.633 4.362 . 0 0 "[ . 1 . 2 ]" 1
273 1 59 ILE MG 1 84 LEU HA 1.800 . 6.000 3.772 3.455 4.097 . 0 0 "[ . 1 . 2 ]" 1
274 1 59 ILE MG 1 86 LEU HA 1.800 . 6.000 3.675 3.440 3.901 . 0 0 "[ . 1 . 2 ]" 1
275 1 59 ILE MD 1 86 LEU HA 1.800 . 6.000 4.062 2.061 4.360 . 0 0 "[ . 1 . 2 ]" 1
276 1 58 ALA MB 1 89 ARG HA 1.800 . 6.000 3.937 2.259 4.722 . 0 0 "[ . 1 . 2 ]" 1
277 1 33 VAL HB 1 34 PRO HD3 1.800 . 3.500 3.181 3.133 3.258 . 0 0 "[ . 1 . 2 ]" 1
278 1 33 VAL HB 1 34 PRO HD2 1.800 . 3.500 1.915 1.837 2.029 . 0 0 "[ . 1 . 2 ]" 1
279 1 52 VAL HB 1 53 PRO HD3 1.800 . 3.500 3.207 3.040 3.371 . 0 0 "[ . 1 . 2 ]" 1
280 1 52 VAL HB 1 53 PRO HD2 1.800 . 3.500 1.985 1.813 2.173 . 0 0 "[ . 1 . 2 ]" 1
281 1 52 VAL MG1 1 53 PRO QD 1.800 . 6.000 2.880 2.678 2.958 . 0 0 "[ . 1 . 2 ]" 1
282 1 52 VAL MG2 1 53 PRO QD 1.800 . 6.000 3.456 3.296 3.605 . 0 0 "[ . 1 . 2 ]" 1
283 1 55 ALA MB 1 56 THR MG 1.800 . 7.000 3.850 2.575 4.765 . 0 0 "[ . 1 . 2 ]" 1
284 1 87 ILE HB 1 88 PRO QD 1.800 . 4.000 3.188 1.861 3.618 . 0 0 "[ . 1 . 2 ]" 1
285 1 87 ILE MG 1 88 PRO HD3 1.800 . 6.000 4.297 3.434 4.613 . 0 0 "[ . 1 . 2 ]" 1
286 1 87 ILE MG 1 88 PRO HD2 1.800 . 6.000 3.868 3.095 4.300 . 0 0 "[ . 1 . 2 ]" 1
287 1 13 LYS HB3 1 32 SER QB 1.800 . 6.000 4.489 3.949 5.079 . 0 0 "[ . 1 . 2 ]" 1
288 1 13 LYS HB2 1 32 SER QB 1.800 . 6.000 4.488 3.743 5.163 . 0 0 "[ . 1 . 2 ]" 1
289 1 13 LYS QD 1 32 SER QB 1.800 . 7.000 3.744 2.216 4.599 . 0 0 "[ . 1 . 2 ]" 1
290 1 14 VAL MG1 1 35 GLU HB3 1.800 . 6.000 4.385 3.056 4.864 . 0 0 "[ . 1 . 2 ]" 1
291 1 14 VAL MG1 1 35 GLU HB2 1.800 . 6.000 4.475 3.417 4.798 . 0 0 "[ . 1 . 2 ]" 1
292 1 14 VAL MG1 1 35 GLU QG 1.800 . 7.000 2.974 1.947 5.089 . 0 0 "[ . 1 . 2 ]" 1
293 1 14 VAL MG1 1 77 PHE QB 1.800 . 7.000 2.108 1.913 2.342 . 0 0 "[ . 1 . 2 ]" 1
294 1 14 VAL MG2 1 33 VAL MG2 1.800 . 7.000 2.446 1.933 2.785 . 0 0 "[ . 1 . 2 ]" 1
295 1 14 VAL MG2 1 73 ALA MB 1.800 . 7.000 1.835 1.725 2.194 0.075 14 0 "[ . 1 . 2 ]" 1
296 1 16 PHE HB3 1 18 ILE MD 1.800 . 6.000 2.718 2.200 3.417 . 0 0 "[ . 1 . 2 ]" 1
297 1 16 PHE HB2 1 18 ILE MD 1.800 . 6.000 2.672 2.357 3.039 . 0 0 "[ . 1 . 2 ]" 1
298 1 18 ILE MD 1 31 LEU MD1 1.800 . 7.000 2.379 2.081 2.713 . 0 0 "[ . 1 . 2 ]" 1
299 1 18 ILE MD 1 42 VAL MG1 1.800 . 5.000 2.828 2.644 3.120 . 0 0 "[ . 1 . 2 ]" 1
300 1 18 ILE MD 1 46 ALA MB 1.800 . 5.000 2.042 1.739 2.376 0.061 13 0 "[ . 1 . 2 ]" 1
301 1 18 ILE MD 1 84 LEU MD1 1.800 . 7.000 3.470 2.962 3.932 . 0 0 "[ . 1 . 2 ]" 1
302 1 21 THR MG 1 85 ARG QB 1.800 . 7.000 2.429 1.702 3.585 0.098 13 0 "[ . 1 . 2 ]" 1
303 1 21 THR MG 1 85 ARG HG3 1.800 . 6.000 3.985 3.398 4.719 . 0 0 "[ . 1 . 2 ]" 1
304 1 21 THR MG 1 85 ARG HG2 1.800 . 6.000 2.922 1.911 4.628 . 0 0 "[ . 1 . 2 ]" 1
305 1 21 THR MG 1 87 ILE MG 1.800 . 7.000 3.568 1.774 4.620 0.026 5 0 "[ . 1 . 2 ]" 1
306 1 21 THR MG 1 87 ILE MD 1.800 . 7.000 3.823 2.554 4.596 . 0 0 "[ . 1 . 2 ]" 1
307 1 31 LEU MD1 1 42 VAL MG1 1.800 . 7.000 2.431 1.809 3.006 . 0 0 "[ . 1 . 2 ]" 1
308 1 31 LEU MD1 1 45 PHE QB 1.800 . 6.000 2.079 1.853 2.489 . 0 0 "[ . 1 . 2 ]" 1
309 1 31 LEU MD1 1 46 ALA MB 1.800 . 7.000 2.210 1.996 2.565 . 0 0 "[ . 1 . 2 ]" 1
310 1 31 LEU MD2 1 45 PHE QB 1.800 . 7.000 1.939 1.664 2.129 0.136 11 0 "[ . 1 . 2 ]" 1
311 1 33 VAL HB 1 37 THR HB 1.800 . 5.000 2.715 2.096 3.805 . 0 0 "[ . 1 . 2 ]" 1
312 1 33 VAL HB 1 37 THR MG 1.800 . 5.000 2.684 2.297 3.141 . 0 0 "[ . 1 . 2 ]" 1
313 1 33 VAL MG2 1 37 THR HB 1.800 . 6.000 3.104 2.396 4.092 . 0 0 "[ . 1 . 2 ]" 1
314 1 33 VAL MG2 1 37 THR MG 1.800 . 7.000 3.026 2.462 4.014 . 0 0 "[ . 1 . 2 ]" 1
315 1 33 VAL MG2 1 73 ALA MB 1.800 . 7.000 2.295 2.093 2.486 . 0 0 "[ . 1 . 2 ]" 1
316 1 34 PRO QD 1 37 THR MG 1.800 . 7.000 3.034 1.830 3.982 . 0 0 "[ . 1 . 2 ]" 1
317 1 37 THR HB 1 73 ALA MB 1.800 . 6.000 3.370 2.794 4.155 . 0 0 "[ . 1 . 2 ]" 1
318 1 37 THR MG 1 42 VAL MG2 1.800 . 7.000 2.893 2.095 4.310 . 0 0 "[ . 1 . 2 ]" 1
319 1 38 PRO QD 1 41 ALA MB 1.800 . 7.000 2.662 2.526 2.867 . 0 0 "[ . 1 . 2 ]" 1
320 1 39 PHE HB3 1 76 ILE MD 1.800 . 6.000 3.666 3.453 4.002 . 0 0 "[ . 1 . 2 ]" 1
321 1 39 PHE HB2 1 76 ILE MD 1.800 . 6.000 2.870 2.647 3.152 . 0 0 "[ . 1 . 2 ]" 1
322 1 40 THR MG 1 70 ALA MB 1.800 . 7.000 4.214 3.990 4.471 . 0 0 "[ . 1 . 2 ]" 1
323 1 42 VAL MG1 1 46 ALA MB 1.800 . 7.000 3.373 3.114 3.588 . 0 0 "[ . 1 . 2 ]" 1
324 1 42 VAL MG1 1 59 ILE MD 1.800 . 7.000 3.374 3.161 4.452 . 0 0 "[ . 1 . 2 ]" 1
325 1 33 VAL MG1 1 42 VAL MG2 1.800 . 7.000 2.799 2.257 3.132 . 0 0 "[ . 1 . 2 ]" 1
326 1 33 VAL MG2 1 42 VAL MG2 1.800 . 7.000 2.004 1.770 2.351 0.030 10 0 "[ . 1 . 2 ]" 1
327 1 42 VAL MG2 1 73 ALA MB 1.800 . 7.000 2.592 2.329 2.954 . 0 0 "[ . 1 . 2 ]" 1
328 1 43 LEU MD1 1 47 ALA MB 1.800 . 7.000 4.470 2.794 4.679 . 0 0 "[ . 1 . 2 ]" 1
329 1 43 LEU MD1 1 59 ILE MD 1.800 . 6.000 2.069 1.838 2.312 . 0 0 "[ . 1 . 2 ]" 1
330 1 43 LEU MD1 1 59 ILE QG 1.800 . 5.000 2.234 1.667 2.471 0.133 1 0 "[ . 1 . 2 ]" 1
331 1 43 LEU MD1 1 69 PRO QB 1.800 . 7.000 2.791 2.279 4.166 . 0 0 "[ . 1 . 2 ]" 1
332 1 43 LEU MD1 1 69 PRO QG 1.800 . 7.000 2.768 2.490 4.205 . 0 0 "[ . 1 . 2 ]" 1
333 1 43 LEU MD2 1 58 ALA MB 1.800 . 7.000 4.473 4.162 4.628 . 0 0 "[ . 1 . 2 ]" 1
334 1 43 LEU MD2 1 69 PRO QB 1.800 . 7.000 3.078 2.236 3.548 . 0 0 "[ . 1 . 2 ]" 1
335 1 43 LEU MD2 1 69 PRO QG 1.800 . 7.000 2.657 1.995 3.179 . 0 0 "[ . 1 . 2 ]" 1
336 1 46 ALA MB 1 59 ILE MD 1.800 . 7.000 2.512 2.095 2.875 . 0 0 "[ . 1 . 2 ]" 1
337 1 46 ALA MB 1 86 LEU MD1 1.800 . 7.000 2.228 1.929 2.585 . 0 0 "[ . 1 . 2 ]" 1
338 1 47 ALA MB 1 52 VAL MG2 1.800 . 6.000 1.993 1.725 2.174 0.075 7 0 "[ . 1 . 2 ]" 1
339 1 47 ALA MB 1 86 LEU MD1 1.800 . 7.000 2.969 2.644 3.349 . 0 0 "[ . 1 . 2 ]" 1
340 1 47 ALA MB 1 86 LEU MD2 1.800 . 7.000 3.282 2.643 3.766 . 0 0 "[ . 1 . 2 ]" 1
341 1 50 PHE HB3 1 86 LEU MD2 1.800 . 6.000 2.982 2.360 4.214 . 0 0 "[ . 1 . 2 ]" 1
342 1 50 PHE HB2 1 86 LEU MD2 1.800 . 6.000 3.009 2.305 4.197 . 0 0 "[ . 1 . 2 ]" 1
343 1 58 ALA MB 1 60 ILE MG 1.800 . 7.000 3.420 3.094 3.633 . 0 0 "[ . 1 . 2 ]" 1
344 1 58 ALA MB 1 89 ARG QB 1.800 . 7.000 3.298 1.754 4.930 0.046 12 0 "[ . 1 . 2 ]" 1
345 1 58 ALA MB 1 89 ARG QG 1.800 . 7.000 3.255 1.984 4.826 . 0 0 "[ . 1 . 2 ]" 1
346 1 40 THR MG 1 69 PRO QB 1.800 . 6.000 2.017 1.756 2.360 0.044 18 0 "[ . 1 . 2 ]" 1
347 1 40 THR MG 1 69 PRO QG 1.800 . 7.000 3.404 2.960 3.721 . 0 0 "[ . 1 . 2 ]" 1
348 1 58 ALA MB 1 87 ILE MG 1.800 . 7.000 2.912 1.922 4.629 . 0 0 "[ . 1 . 2 ]" 1
349 1 58 ALA MB 1 87 ILE MD 1.800 . 7.000 3.884 2.120 4.619 . 0 0 "[ . 1 . 2 ]" 1
350 1 59 ILE QG 1 86 LEU MD1 1.800 . 7.000 2.453 2.019 3.619 . 0 0 "[ . 1 . 2 ]" 1
351 1 59 ILE MG 1 67 VAL HB 1.800 . 6.000 2.728 2.458 4.442 . 0 0 "[ . 1 . 2 ]" 1
352 1 59 ILE MG 1 84 LEU QB 1.800 . 7.000 2.054 1.782 2.325 0.018 2 0 "[ . 1 . 2 ]" 1
353 1 59 ILE MG 1 84 LEU MD1 1.800 . 6.000 2.836 2.212 3.169 . 0 0 "[ . 1 . 2 ]" 1
354 1 59 ILE MG 1 84 LEU MD2 1.800 . 7.000 1.992 1.776 2.165 0.024 1 0 "[ . 1 . 2 ]" 1
355 1 61 THR MG 1 67 VAL MG2 1.800 . 7.000 2.911 1.791 4.588 0.009 24 0 "[ . 1 . 2 ]" 1
356 1 61 THR MG 1 80 HIS HB3 1.800 . 6.000 2.370 1.710 3.469 0.090 24 0 "[ . 1 . 2 ]" 1
357 1 61 THR MG 1 80 HIS HB2 1.800 . 6.000 3.663 3.225 4.638 . 0 0 "[ . 1 . 2 ]" 1
358 1 59 ILE HB 1 67 VAL MG2 1.800 . 6.000 4.481 2.607 4.777 . 0 0 "[ . 1 . 2 ]" 1
359 1 59 ILE MG 1 67 VAL MG2 1.800 . 7.000 3.123 2.041 3.465 . 0 0 "[ . 1 . 2 ]" 1
360 1 67 VAL MG1 1 76 ILE MD 1.800 . 6.000 1.915 1.722 3.659 0.078 21 0 "[ . 1 . 2 ]" 1
361 1 67 VAL MG1 1 76 ILE MG 1.800 . 7.000 2.639 2.012 4.427 . 0 0 "[ . 1 . 2 ]" 1
362 1 67 VAL MG2 1 76 ILE MD 1.800 . 7.000 3.392 3.184 3.504 . 0 0 "[ . 1 . 2 ]" 1
363 1 67 VAL MG2 1 76 ILE MG 1.800 . 7.000 3.502 3.189 3.789 . 0 0 "[ . 1 . 2 ]" 1
364 1 67 VAL MG2 1 84 LEU MD2 1.800 . 7.000 2.288 2.003 2.864 . 0 0 "[ . 1 . 2 ]" 1
365 1 76 ILE MG 1 80 HIS QB 1.800 . 7.000 2.880 2.512 3.392 . 0 0 "[ . 1 . 2 ]" 1
366 1 76 ILE MG 1 84 LEU MD1 1.800 . 7.000 2.546 2.169 2.849 . 0 0 "[ . 1 . 2 ]" 1
367 1 80 HIS QB 1 84 LEU MD2 1.800 . 7.000 2.507 2.134 3.156 . 0 0 "[ . 1 . 2 ]" 1
368 1 16 PHE QD 1 33 VAL MG2 1.800 . 8.000 2.739 2.517 3.004 . 0 0 "[ . 1 . 2 ]" 1
369 1 16 PHE QD 1 42 VAL MG1 1.800 . 8.000 2.416 2.128 2.649 . 0 0 "[ . 1 . 2 ]" 1
370 1 16 PHE QD 1 82 SER HA 1.800 . 7.000 2.655 2.189 3.395 . 0 0 "[ . 1 . 2 ]" 1
371 1 16 PHE QD 1 84 LEU MD1 1.800 . 8.000 2.314 1.900 2.716 . 0 0 "[ . 1 . 2 ]" 1
372 1 16 PHE QE 1 33 VAL MG2 1.800 . 8.000 2.193 1.916 2.378 . 0 0 "[ . 1 . 2 ]" 1
373 1 14 VAL MG2 1 16 PHE QE 1.800 . 8.000 2.299 2.086 2.649 . 0 0 "[ . 1 . 2 ]" 1
374 1 16 PHE QE 1 42 VAL MG2 1.800 . 8.000 2.756 2.287 3.075 . 0 0 "[ . 1 . 2 ]" 1
375 1 16 PHE QE 1 73 ALA MB 1.800 . 7.000 2.083 1.823 2.470 . 0 0 "[ . 1 . 2 ]" 1
376 1 16 PHE QE 1 76 ILE MG 1.800 . 8.000 2.315 2.001 2.703 . 0 0 "[ . 1 . 2 ]" 1
377 1 16 PHE QE 1 77 PHE HA 1.800 . 7.000 2.544 2.213 2.906 . 0 0 "[ . 1 . 2 ]" 1
378 1 14 VAL MG2 1 16 PHE HZ 1.800 . 6.000 2.050 1.748 2.303 0.052 6 0 "[ . 1 . 2 ]" 1
379 1 16 PHE HZ 1 73 ALA MB 1.800 . 6.000 2.424 1.984 2.789 . 0 0 "[ . 1 . 2 ]" 1
380 1 16 PHE HZ 1 76 ILE MG 1.800 . 6.000 3.469 3.204 3.748 . 0 0 "[ . 1 . 2 ]" 1
381 1 16 PHE HZ 1 76 ILE HB 1.800 . 5.000 2.722 2.403 3.012 . 0 0 "[ . 1 . 2 ]" 1
382 1 16 PHE HZ 1 77 PHE H 1.800 . 5.000 3.082 2.772 3.558 . 0 0 "[ . 1 . 2 ]" 1
383 1 16 PHE HZ 1 77 PHE QB 1.800 . 5.000 2.739 2.485 3.082 . 0 0 "[ . 1 . 2 ]" 1
384 1 28 PHE QD 1 29 LYS H 1.800 . 7.000 3.381 2.418 3.926 . 0 0 "[ . 1 . 2 ]" 1
385 1 17 LYS QG 1 28 PHE QD 1.800 . 7.000 2.998 2.235 4.537 . 0 0 "[ . 1 . 2 ]" 1
386 1 28 PHE QD 1 30 VAL H 1.800 . 7.000 4.167 3.563 6.338 . 0 0 "[ . 1 . 2 ]" 1
387 1 28 PHE QD 1 30 VAL MG2 1.800 . 7.000 2.657 2.015 4.493 . 0 0 "[ . 1 . 2 ]" 1
388 1 39 PHE QD 1 69 PRO HA 1.800 . 6.000 1.900 1.831 2.003 . 0 0 "[ . 1 . 2 ]" 1
389 1 39 PHE QD 1 69 PRO QB 1.800 . 8.000 3.205 3.100 3.448 . 0 0 "[ . 1 . 2 ]" 1
390 1 39 PHE QD 1 73 ALA HA 1.800 . 7.000 3.345 3.062 3.687 . 0 0 "[ . 1 . 2 ]" 1
391 1 39 PHE QD 1 73 ALA H 1.800 . 7.000 5.078 4.831 5.265 . 0 0 "[ . 1 . 2 ]" 1
392 1 39 PHE QD 1 73 ALA MB 1.800 . 8.000 4.022 3.708 4.398 . 0 0 "[ . 1 . 2 ]" 1
393 1 39 PHE QD 1 76 ILE MG 1.800 . 8.000 2.961 2.715 3.419 . 0 0 "[ . 1 . 2 ]" 1
394 1 39 PHE QD 1 76 ILE MD 1.800 . 8.000 3.148 2.819 3.325 . 0 0 "[ . 1 . 2 ]" 1
395 1 39 PHE QE 1 42 VAL MG1 1.800 . 7.000 2.451 2.205 2.700 . 0 0 "[ . 1 . 2 ]" 1
396 1 39 PHE QE 1 59 ILE HB 1.800 . 6.000 2.046 1.745 2.317 0.055 1 0 "[ . 1 . 2 ]" 1
397 1 39 PHE QE 1 59 ILE MG 1.800 . 7.000 2.998 2.409 3.229 . 0 0 "[ . 1 . 2 ]" 1
398 1 39 PHE QE 1 59 ILE MD 1.800 . 7.000 2.611 2.335 3.913 . 0 0 "[ . 1 . 2 ]" 1
399 1 39 PHE QE 1 84 LEU MD1 1.800 . 7.000 3.019 2.446 3.459 . 0 0 "[ . 1 . 2 ]" 1
400 1 18 ILE MD 1 39 PHE HZ 1.800 . 6.000 4.355 4.079 4.734 . 0 0 "[ . 1 . 2 ]" 1
401 1 39 PHE HZ 1 42 VAL MG1 1.800 . 6.000 3.752 3.496 3.984 . 0 0 "[ . 1 . 2 ]" 1
402 1 39 PHE HZ 1 59 ILE MG 1.800 . 6.000 2.061 1.771 2.301 0.029 19 0 "[ . 1 . 2 ]" 1
403 1 39 PHE HZ 1 59 ILE MD 1.800 . 6.000 2.284 1.962 3.854 . 0 0 "[ . 1 . 2 ]" 1
404 1 39 PHE HZ 1 84 LEU MD1 1.800 . 6.000 2.991 2.149 3.590 . 0 0 "[ . 1 . 2 ]" 1
405 1 45 PHE H 1 45 PHE QD 1.800 . 6.000 3.218 2.572 3.961 . 0 0 "[ . 1 . 2 ]" 1
406 1 45 PHE QD 1 46 ALA H 1.800 . 7.000 4.461 4.229 4.606 . 0 0 "[ . 1 . 2 ]" 1
407 1 18 ILE MG 1 50 PHE QD 1.800 . 8.000 3.577 2.876 4.282 . 0 0 "[ . 1 . 2 ]" 1
408 1 29 LYS QE 1 50 PHE QD 1.800 . 8.000 4.896 3.308 6.313 . 0 0 "[ . 1 . 2 ]" 1
409 1 46 ALA HA 1 50 PHE QD 1.800 . 7.000 3.848 3.422 4.591 . 0 0 "[ . 1 . 2 ]" 1
410 1 46 ALA MB 1 50 PHE QD 1.800 . 8.000 3.100 2.639 4.245 . 0 0 "[ . 1 . 2 ]" 1
411 1 47 ALA HA 1 50 PHE QD 1.800 . 7.000 3.344 2.419 4.180 . 0 0 "[ . 1 . 2 ]" 1
412 1 50 PHE QD 1 51 LYS H 1.800 . 7.000 4.705 4.135 4.939 . 0 0 "[ . 1 . 2 ]" 1
413 1 50 PHE QD 1 52 VAL MG2 1.800 . 8.000 3.669 2.937 4.302 . 0 0 "[ . 1 . 2 ]" 1
414 1 50 PHE QD 1 86 LEU MD1 1.800 . 8.000 2.136 1.728 3.045 0.072 9 0 "[ . 1 . 2 ]" 1
415 1 18 ILE MG 1 50 PHE QE 1.800 . 8.000 2.440 1.972 3.260 . 0 0 "[ . 1 . 2 ]" 1
416 1 20 LEU MD2 1 50 PHE QE 1.800 . 8.000 4.025 2.526 5.085 . 0 0 "[ . 1 . 2 ]" 1
417 1 29 LYS H 1 50 PHE QE 1.800 . 7.000 3.485 2.540 4.698 . 0 0 "[ . 1 . 2 ]" 1
418 1 46 ALA MB 1 50 PHE QE 1.800 . 8.000 3.322 2.202 4.262 . 0 0 "[ . 1 . 2 ]" 1
419 1 20 LEU H 1 50 PHE HZ 1.800 . 5.000 2.679 2.332 3.165 . 0 0 "[ . 1 . 2 ]" 1
420 1 29 LYS H 1 50 PHE HZ 1.800 . 5.000 3.122 2.130 4.235 . 0 0 "[ . 1 . 2 ]" 1
421 1 20 LEU MD2 1 50 PHE QD 1.800 . 8.000 3.539 2.288 4.698 . 0 0 "[ . 1 . 2 ]" 1
422 1 50 PHE QD 1 86 LEU MD2 1.800 . 8.000 2.911 1.875 4.057 . 0 0 "[ . 1 . 2 ]" 1
423 1 14 VAL MG1 1 77 PHE QD 1.800 . 8.000 3.058 2.816 3.571 . 0 0 "[ . 1 . 2 ]" 1
424 1 77 PHE QD 1 82 SER HA 1.800 . 7.000 3.723 3.122 4.440 . 0 0 "[ . 1 . 2 ]" 1
425 1 77 PHE QD 1 82 SER H 1.800 . 7.000 4.766 4.253 5.127 . 0 0 "[ . 1 . 2 ]" 1
426 1 77 PHE QD 1 78 LEU H 1.800 . 7.000 3.908 3.687 4.083 . 0 0 "[ . 1 . 2 ]" 1
427 1 77 PHE QE 1 82 SER H 1.800 . 7.000 4.116 3.664 4.651 . 0 0 "[ . 1 . 2 ]" 1
428 1 67 VAL MG1 1 80 HIS HD2 1.800 . 6.000 2.763 2.339 3.734 . 0 0 "[ . 1 . 2 ]" 1
429 1 67 VAL MG2 1 80 HIS HD2 1.800 . 6.000 2.830 2.314 3.534 . 0 0 "[ . 1 . 2 ]" 1
430 1 76 ILE HA 1 80 HIS HD2 1.800 . 5.000 2.540 1.936 4.207 . 0 0 "[ . 1 . 2 ]" 1
431 1 76 ILE MG 1 80 HIS HD2 1.800 . 6.000 2.280 1.820 3.684 . 0 0 "[ . 1 . 2 ]" 1
432 1 62 ASN QD 1 83 GLU QB 1.800 . 7.000 3.725 2.305 4.776 . 0 0 "[ . 1 . 2 ]" 1
433 1 68 ASN QD 1 70 ALA MB 1.800 . 7.000 4.598 3.079 4.919 . 0 0 "[ . 1 . 2 ]" 1
434 1 67 VAL MG1 1 71 GLN QE 1.800 . 7.000 2.878 2.116 3.718 . 0 0 "[ . 1 . 2 ]" 1
435 1 68 ASN QB 1 71 GLN QE 1.800 . 7.000 3.888 3.076 4.966 . 0 0 "[ . 1 . 2 ]" 1
436 1 71 GLN QE 1 76 ILE MD 1.800 . 7.000 2.910 2.285 3.559 . 0 0 "[ . 1 . 2 ]" 1
437 1 71 GLN QB 1 75 ASN QD 1.800 . 7.000 3.776 2.710 5.053 . 0 0 "[ . 1 . 2 ]" 1
438 1 72 PRO QD 1 75 ASN QD 1.800 . 7.000 3.843 3.340 4.310 . 0 0 "[ . 1 . 2 ]" 1
439 1 14 VAL HA 1 14 VAL MG1 1.800 . 3.500 2.262 2.139 2.360 . 0 0 "[ . 1 . 2 ]" 1
440 1 14 VAL HA 1 14 VAL HB 1.800 . 2.700 2.547 2.485 2.588 . 0 0 "[ . 1 . 2 ]" 1
441 1 14 VAL H 1 14 VAL MG2 1.800 . 3.500 1.931 1.745 2.065 0.055 21 0 "[ . 1 . 2 ]" 1
442 1 18 ILE HA 1 18 ILE HG13 1.800 . 3.500 2.418 2.326 2.522 . 0 0 "[ . 1 . 2 ]" 1
443 1 18 ILE HA 1 18 ILE HG12 1.800 . 3.500 3.365 3.273 3.429 . 0 0 "[ . 1 . 2 ]" 1
444 1 18 ILE HA 1 18 ILE MG 1.800 . 3.500 2.291 2.188 2.437 . 0 0 "[ . 1 . 2 ]" 1
445 1 18 ILE H 1 18 ILE HB 1.800 . 3.000 2.612 2.505 2.718 . 0 0 "[ . 1 . 2 ]" 1
446 1 29 LYS HA 1 29 LYS QD 1.800 . 5.000 3.121 2.276 3.981 . 0 0 "[ . 1 . 2 ]" 1
447 1 33 VAL HA 1 33 VAL MG1 1.800 . 3.500 2.274 2.165 2.369 . 0 0 "[ . 1 . 2 ]" 1
448 1 33 VAL HA 1 33 VAL HB 1.800 . 2.700 2.536 2.511 2.566 . 0 0 "[ . 1 . 2 ]" 1
449 1 33 VAL H 1 33 VAL MG1 1.800 . 4.500 3.133 3.044 3.228 . 0 0 "[ . 1 . 2 ]" 1
450 1 33 VAL H 1 33 VAL MG2 1.800 . 4.500 2.146 1.905 2.279 . 0 0 "[ . 1 . 2 ]" 1
451 1 39 PHE H 1 39 PHE HB3 1.800 . 3.000 2.885 2.813 2.923 . 0 0 "[ . 1 . 2 ]" 1
452 1 39 PHE H 1 39 PHE HB2 1.800 . 3.000 2.297 2.250 2.353 . 0 0 "[ . 1 . 2 ]" 1
453 1 40 THR H 1 40 THR MG 1.800 . 4.000 2.513 2.263 2.992 . 0 0 "[ . 1 . 2 ]" 1
454 1 43 LEU HA 1 43 LEU MD1 1.800 . 4.000 3.217 2.158 3.344 . 0 0 "[ . 1 . 2 ]" 1
455 1 52 VAL HA 1 52 VAL HB 1.800 . 2.700 2.534 2.505 2.584 . 0 0 "[ . 1 . 2 ]" 1
456 1 59 ILE H 1 59 ILE HB 1.800 . 3.000 2.532 2.432 2.610 . 0 0 "[ . 1 . 2 ]" 1
457 1 59 ILE H 1 59 ILE QG 1.800 . 4.000 3.272 3.011 3.335 . 0 0 "[ . 1 . 2 ]" 1
458 1 60 ILE H 1 60 ILE QG 1.800 . 4.000 2.131 2.048 2.204 . 0 0 "[ . 1 . 2 ]" 1
459 1 60 ILE HA 1 60 ILE QG 1.800 . 4.000 3.322 3.315 3.331 . 0 0 "[ . 1 . 2 ]" 1
460 1 60 ILE HA 1 60 ILE HB 1.800 . 3.000 2.469 2.443 2.504 . 0 0 "[ . 1 . 2 ]" 1
461 1 65 VAL HA 1 65 VAL MG1 1.800 . 3.500 2.311 2.193 2.416 . 0 0 "[ . 1 . 2 ]" 1
462 1 65 VAL HA 1 65 VAL MG2 1.800 . 3.500 2.377 2.296 2.491 . 0 0 "[ . 1 . 2 ]" 1
463 1 65 VAL H 1 65 VAL HB 1.800 . 3.000 2.743 2.645 2.828 . 0 0 "[ . 1 . 2 ]" 1
464 1 65 VAL H 1 65 VAL MG2 1.800 . 4.000 2.780 2.636 2.929 . 0 0 "[ . 1 . 2 ]" 1
465 1 67 VAL H 1 67 VAL HA 1.800 . 3.000 2.894 2.867 2.913 . 0 0 "[ . 1 . 2 ]" 1
466 1 67 VAL H 1 67 VAL MG2 1.800 . 3.500 2.055 1.891 2.304 . 0 0 "[ . 1 . 2 ]" 1
467 1 71 GLN H 1 71 GLN QG 1.800 . 4.000 2.685 1.955 3.290 . 0 0 "[ . 1 . 2 ]" 1
468 1 76 ILE H 1 76 ILE HB 1.800 . 3.000 2.488 2.445 2.534 . 0 0 "[ . 1 . 2 ]" 1
469 1 76 ILE H 1 76 ILE QG 1.800 . 3.000 2.129 2.062 2.196 . 0 0 "[ . 1 . 2 ]" 1
470 1 76 ILE HA 1 76 ILE MG 1.800 . 3.500 2.411 2.322 2.512 . 0 0 "[ . 1 . 2 ]" 1
471 1 76 ILE HA 1 76 ILE MD 1.800 . 3.500 1.987 1.818 2.184 . 0 0 "[ . 1 . 2 ]" 1
472 1 80 HIS H 1 80 HIS HD2 1.800 . 4.000 3.136 2.933 3.392 . 0 0 "[ . 1 . 2 ]" 1
473 1 84 LEU HA 1 84 LEU MD2 1.800 . 4.000 2.411 1.895 2.714 . 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 50
_Distance_constraint_stats_list.Viol_count 195
_Distance_constraint_stats_list.Viol_total 144.612
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_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 14 VAL 0.544 0.066 22 0 "[ . 1 . 2 ]"
1 16 PHE 0.015 0.015 9 0 "[ . 1 . 2 ]"
1 17 LYS 0.176 0.068 2 0 "[ . 1 . 2 ]"
1 18 ILE 0.172 0.034 23 0 "[ . 1 . 2 ]"
1 29 LYS 0.172 0.034 23 0 "[ . 1 . 2 ]"
1 31 LEU 0.015 0.015 9 0 "[ . 1 . 2 ]"
1 33 VAL 0.544 0.066 22 0 "[ . 1 . 2 ]"
1 34 PRO 0.882 0.086 6 0 "[ . 1 . 2 ]"
1 37 THR 0.942 0.086 6 0 "[ . 1 . 2 ]"
1 38 PRO 1.791 0.074 7 0 "[ . 1 . 2 ]"
1 39 PHE 1.042 0.056 12 0 "[ . 1 . 2 ]"
1 40 THR 0.014 0.014 22 0 "[ . 1 . 2 ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 VAL 1.791 0.074 7 0 "[ . 1 . 2 ]"
1 43 LEU 1.046 0.056 12 0 "[ . 1 . 2 ]"
1 44 LYS 0.019 0.014 22 0 "[ . 1 . 2 ]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ALA 0.004 0.004 1 0 "[ . 1 . 2 ]"
1 48 GLU 0.005 0.004 14 0 "[ . 1 . 2 ]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ALA 0.015 0.008 4 0 "[ . 1 . 2 ]"
1 59 ILE 1.104 0.086 4 0 "[ . 1 . 2 ]"
1 60 ILE 0.169 0.037 19 0 "[ . 1 . 2 ]"
1 61 THR 0.034 0.011 22 0 "[ . 1 . 2 ]"
1 65 VAL 0.034 0.011 22 0 "[ . 1 . 2 ]"
1 67 VAL 1.104 0.086 4 0 "[ . 1 . 2 ]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ALA 0.059 0.052 13 0 "[ . 1 . 2 ]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 LEU 0.176 0.068 2 0 "[ . 1 . 2 ]"
1 85 ARG 0.169 0.037 19 0 "[ . 1 . 2 ]"
1 87 ILE 0.015 0.008 4 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 38 PRO O 1 42 VAL H 1.800 . 2.300 2.356 2.343 2.374 0.074 7 0 "[ . 1 . 2 ]" 2
2 1 38 PRO O 1 42 VAL N 2.800 2.800 3.300 3.319 3.302 3.340 0.040 7 0 "[ . 1 . 2 ]" 2
3 1 39 PHE O 1 43 LEU H 1.800 . 2.300 1.796 1.781 1.821 0.019 2 0 "[ . 1 . 2 ]" 2
4 1 39 PHE O 1 43 LEU N 2.800 2.800 3.300 2.762 2.744 2.794 0.056 12 0 "[ . 1 . 2 ]" 2
5 1 40 THR O 1 44 LYS H 1.800 . 2.300 2.233 2.138 2.314 0.014 22 0 "[ . 1 . 2 ]" 2
6 1 40 THR O 1 44 LYS N 2.800 2.800 3.300 3.078 2.972 3.168 . 0 0 "[ . 1 . 2 ]" 2
7 1 41 ALA O 1 45 PHE H 1.800 . 2.300 1.998 1.884 2.125 . 0 0 "[ . 1 . 2 ]" 2
8 1 41 ALA O 1 45 PHE N 2.800 2.800 3.300 2.962 2.844 3.069 . 0 0 "[ . 1 . 2 ]" 2
9 1 42 VAL O 1 46 ALA H 1.800 . 2.300 2.074 1.981 2.165 . 0 0 "[ . 1 . 2 ]" 2
10 1 42 VAL O 1 46 ALA N 2.800 2.800 3.300 3.032 2.935 3.124 . 0 0 "[ . 1 . 2 ]" 2
11 1 43 LEU O 1 47 ALA H 1.800 . 2.300 1.913 1.836 1.993 . 0 0 "[ . 1 . 2 ]" 2
12 1 43 LEU O 1 47 ALA N 2.800 2.800 3.300 2.863 2.796 2.950 0.004 1 0 "[ . 1 . 2 ]" 2
13 1 44 LYS O 1 48 GLU H 1.800 . 2.300 1.993 1.857 2.134 . 0 0 "[ . 1 . 2 ]" 2
14 1 44 LYS O 1 48 GLU N 2.800 2.800 3.300 2.895 2.796 3.058 0.004 14 0 "[ . 1 . 2 ]" 2
15 1 46 ALA O 1 50 PHE H 1.800 . 2.300 2.131 1.944 2.279 . 0 0 "[ . 1 . 2 ]" 2
16 1 46 ALA O 1 50 PHE N 2.800 2.800 3.300 2.990 2.842 3.140 . 0 0 "[ . 1 . 2 ]" 2
17 1 72 PRO O 1 76 ILE H 1.800 . 2.300 2.006 1.878 2.223 . 0 0 "[ . 1 . 2 ]" 2
18 1 72 PRO O 1 76 ILE N 2.800 2.800 3.300 2.944 2.825 3.140 . 0 0 "[ . 1 . 2 ]" 2
19 1 73 ALA O 1 77 PHE H 1.800 . 2.300 2.037 1.953 2.227 . 0 0 "[ . 1 . 2 ]" 2
20 1 73 ALA O 1 77 PHE N 2.800 2.800 3.300 2.984 2.909 3.150 . 0 0 "[ . 1 . 2 ]" 2
21 1 74 GLY O 1 78 LEU H 1.800 . 2.300 2.084 1.994 2.214 . 0 0 "[ . 1 . 2 ]" 2
22 1 74 GLY O 1 78 LEU N 2.800 2.800 3.300 2.995 2.892 3.140 . 0 0 "[ . 1 . 2 ]" 2
23 1 14 VAL O 1 33 VAL H 1.800 . 2.300 2.263 2.169 2.339 0.039 19 0 "[ . 1 . 2 ]" 2
24 1 14 VAL O 1 33 VAL N 2.800 2.800 3.300 3.217 3.112 3.287 . 0 0 "[ . 1 . 2 ]" 2
25 1 16 PHE O 1 31 LEU H 1.800 . 2.300 1.922 1.826 2.062 . 0 0 "[ . 1 . 2 ]" 2
26 1 16 PHE O 1 31 LEU N 2.800 2.800 3.300 2.875 2.785 2.950 0.015 9 0 "[ . 1 . 2 ]" 2
27 1 17 LYS O 1 84 LEU H 1.800 . 2.300 2.009 1.767 2.235 0.033 2 0 "[ . 1 . 2 ]" 2
28 1 17 LYS O 1 84 LEU N 2.800 2.800 3.300 2.852 2.732 3.044 0.068 2 0 "[ . 1 . 2 ]" 2
29 1 18 ILE O 1 29 LYS H 1.800 . 2.300 1.972 1.815 2.297 . 0 0 "[ . 1 . 2 ]" 2
30 1 18 ILE O 1 29 LYS N 2.800 2.800 3.300 2.844 2.766 3.119 0.034 23 0 "[ . 1 . 2 ]" 2
31 1 18 ILE H 1 29 LYS O 1.800 . 2.300 2.051 1.913 2.134 . 0 0 "[ . 1 . 2 ]" 2
32 1 18 ILE N 1 29 LYS O 2.800 2.800 3.300 2.985 2.881 3.090 . 0 0 "[ . 1 . 2 ]" 2
33 1 14 VAL H 1 33 VAL O 1.800 . 2.300 1.926 1.805 2.085 . 0 0 "[ . 1 . 2 ]" 2
34 1 14 VAL N 1 33 VAL O 2.800 2.800 3.300 2.791 2.734 2.909 0.066 22 0 "[ . 1 . 2 ]" 2
35 1 58 ALA O 1 87 ILE H 1.800 . 2.300 1.948 1.859 2.151 . 0 0 "[ . 1 . 2 ]" 2
36 1 58 ALA O 1 87 ILE N 2.800 2.800 3.300 2.903 2.827 3.110 . 0 0 "[ . 1 . 2 ]" 2
37 1 60 ILE H 1 85 ARG O 1.800 . 2.300 2.098 1.913 2.228 . 0 0 "[ . 1 . 2 ]" 2
38 1 60 ILE N 1 85 ARG O 2.800 2.800 3.300 2.841 2.763 2.948 0.037 19 0 "[ . 1 . 2 ]" 2
39 1 61 THR H 1 65 VAL O 1.800 . 2.300 2.169 2.049 2.311 0.011 22 0 "[ . 1 . 2 ]" 2
40 1 61 THR N 1 65 VAL O 2.800 2.800 3.300 2.876 2.791 3.012 0.009 11 0 "[ . 1 . 2 ]" 2
41 1 59 ILE H 1 67 VAL O 1.800 . 2.300 2.346 2.293 2.386 0.086 4 0 "[ . 1 . 2 ]" 2
42 1 59 ILE N 1 67 VAL O 2.800 2.800 3.300 3.247 3.177 3.288 . 0 0 "[ . 1 . 2 ]" 2
43 1 58 ALA H 1 87 ILE O 1.800 . 2.300 1.951 1.843 2.087 . 0 0 "[ . 1 . 2 ]" 2
44 1 58 ALA N 1 87 ILE O 2.800 2.800 3.300 2.880 2.792 3.017 0.008 4 0 "[ . 1 . 2 ]" 2
45 1 37 THR O 1 73 ALA H 1.800 . 2.300 2.009 1.865 2.111 . 0 0 "[ . 1 . 2 ]" 2
46 1 37 THR O 1 73 ALA N 2.800 2.800 3.300 2.899 2.748 2.984 0.052 13 0 "[ . 1 . 2 ]" 2
47 1 34 PRO O 1 37 THR H 1.800 . 2.300 2.329 2.234 2.386 0.086 6 0 "[ . 1 . 2 ]" 2
48 1 34 PRO O 1 37 THR N 2.800 2.800 3.300 3.128 2.985 3.323 0.023 6 0 "[ . 1 . 2 ]" 2
49 1 47 ALA O 1 52 VAL H 1.800 . 2.300 1.983 1.882 2.078 . 0 0 "[ . 1 . 2 ]" 2
50 1 47 ALA O 1 52 VAL N 2.800 2.800 3.300 2.956 2.860 3.049 . 0 0 "[ . 1 . 2 ]" 2
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