NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634388 |
6f3k   |
27211 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6f3k
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 109
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 350.854
_Distance_constraint_stats_list.Viol_max 1.016
_Distance_constraint_stats_list.Viol_rms 0.1021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0322
_Distance_constraint_stats_list.Viol_average_violations_only 0.1928
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 VAL 1.866 0.397 5 0 "[ . 1]"
1 7 VAL 0.085 0.085 8 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.056 0.056 7 0 "[ . 1]"
1 21 VAL 0.471 0.340 9 0 "[ . 1]"
1 29 ILE 0.000 0.000 . 0 "[ . 1]"
1 32 VAL 0.204 0.204 4 0 "[ . 1]"
1 33 VAL 1.071 0.350 5 0 "[ . 1]"
1 34 ILE 0.569 0.183 10 0 "[ . 1]"
1 37 ILE 0.741 0.159 1 0 "[ . 1]"
1 41 VAL 0.411 0.159 1 0 "[ . 1]"
1 44 VAL 0.000 0.000 . 0 "[ . 1]"
1 46 VAL 0.508 0.183 10 0 "[ . 1]"
1 52 VAL 0.060 0.060 4 0 "[ . 1]"
1 53 ILE 0.308 0.148 5 0 "[ . 1]"
1 63 VAL 1.928 0.327 10 0 "[ . 1]"
1 65 ILE 0.643 0.129 4 0 "[ . 1]"
1 76 VAL 0.288 0.241 4 0 "[ . 1]"
1 79 ILE 1.339 0.409 9 0 "[ . 1]"
1 87 VAL 0.585 0.201 9 0 "[ . 1]"
1 90 ILE 0.867 0.209 1 0 "[ . 1]"
1 99 ILE 1.898 0.457 8 0 "[ . 1]"
1 105 VAL 4.780 0.768 2 2 "[ +- . 1]"
1 107 ILE 0.525 0.161 3 0 "[ . 1]"
1 113 ILE 4.153 0.768 2 2 "[ +- . 1]"
1 120 VAL 4.012 0.457 8 0 "[ . 1]"
1 124 ILE 2.114 0.368 9 0 "[ . 1]"
1 139 ILE 0.377 0.239 7 0 "[ . 1]"
1 141 ILE 1.852 0.335 8 0 "[ . 1]"
1 143 ILE 2.765 0.464 9 0 "[ . 1]"
1 156 VAL 2.300 0.435 6 0 "[ . 1]"
1 158 ILE 0.341 0.210 10 0 "[ . 1]"
1 161 VAL 1.338 0.340 9 0 "[ . 1]"
1 162 ILE 1.959 0.409 9 0 "[ . 1]"
1 177 VAL 0.000 0.000 . 0 "[ . 1]"
1 179 ILE 0.056 0.056 7 0 "[ . 1]"
1 185 ILE 1.027 0.312 4 0 "[ . 1]"
1 187 VAL 0.519 0.350 5 0 "[ . 1]"
1 190 ILE 0.417 0.218 5 0 "[ . 1]"
1 193 VAL 0.128 0.093 1 0 "[ . 1]"
1 204 VAL 0.112 0.112 3 0 "[ . 1]"
1 207 VAL 0.268 0.268 2 0 "[ . 1]"
1 210 VAL 0.000 0.000 . 0 "[ . 1]"
1 214 VAL 0.000 0.000 . 0 "[ . 1]"
1 226 ILE 0.918 0.268 2 0 "[ . 1]"
1 234 ILE 0.000 0.000 . 0 "[ . 1]"
1 236 VAL 0.181 0.121 7 0 "[ . 1]"
1 238 ILE 1.134 0.344 2 0 "[ . 1]"
1 242 ILE 0.000 0.000 . 0 "[ . 1]"
1 251 VAL 1.134 0.344 2 0 "[ . 1]"
1 260 ILE 0.023 0.023 10 0 "[ . 1]"
1 262 ILE 0.087 0.087 8 0 "[ . 1]"
1 267 VAL 7.226 1.016 4 8 "[* -+* ****]"
1 273 ILE 0.719 0.219 7 0 "[ . 1]"
1 274 VAL 1.213 0.397 8 0 "[ . 1]"
1 286 ILE 0.023 0.023 10 0 "[ . 1]"
1 292 ILE 0.519 0.227 5 0 "[ . 1]"
1 303 ILE 0.071 0.071 8 0 "[ . 1]"
1 310 VAL 0.000 0.000 . 0 "[ . 1]"
1 317 VAL 0.256 0.189 3 0 "[ . 1]"
1 322 ILE 0.181 0.121 7 0 "[ . 1]"
1 328 VAL 0.000 0.000 . 0 "[ . 1]"
1 329 VAL 2.540 0.397 5 0 "[ . 1]"
1 334 VAL 0.396 0.193 2 0 "[ . 1]"
1 338 VAL 0.128 0.093 1 0 "[ . 1]"
1 348 ILE 0.203 0.074 2 0 "[ . 1]"
1 353 ILE 10.277 1.016 4 8 "[* -+* ****]"
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 7 VAL MG2 1 185 ILE MD 5.000 3.000 7.000 4.781 3.693 5.696 . 0 0 "[ . 1]" 1
2 1 15 VAL MG2 1 16 VAL MG2 5.000 3.000 7.000 4.417 3.853 4.980 . 0 0 "[ . 1]" 1
3 1 21 VAL MG2 1 90 ILE MD 5.000 3.000 7.000 4.282 3.396 6.189 . 0 0 "[ . 1]" 1
4 1 21 VAL MG2 1 161 VAL MG2 5.000 3.000 7.000 6.831 6.163 7.340 0.340 9 0 "[ . 1]" 1
5 1 29 ILE MD 1 32 VAL MG2 5.000 3.000 7.000 4.726 3.517 5.653 . 0 0 "[ . 1]" 1
6 1 29 ILE MD 1 33 VAL MG2 5.000 3.000 7.000 4.241 3.371 5.712 . 0 0 "[ . 1]" 1
7 1 29 ILE MD 1 187 VAL MG2 5.000 3.000 7.000 4.024 3.490 4.558 . 0 0 "[ . 1]" 1
8 1 33 VAL MG2 1 187 VAL MG2 5.000 3.000 7.000 3.701 2.650 5.147 0.350 5 0 "[ . 1]" 1
9 1 33 VAL MG2 1 190 ILE MD 5.000 3.000 7.000 5.501 2.979 7.218 0.218 5 0 "[ . 1]" 1
10 1 34 ILE MD 1 52 VAL MG2 5.000 3.000 7.000 4.194 2.940 5.895 0.060 4 0 "[ . 1]" 1
11 1 37 ILE MD 1 41 VAL MG2 5.000 3.000 7.000 3.656 2.841 4.520 0.159 1 0 "[ . 1]" 1
12 1 37 ILE MD 1 44 VAL MG2 5.000 3.000 7.000 4.780 4.086 6.564 . 0 0 "[ . 1]" 1
13 1 37 ILE MD 1 190 ILE MD 5.000 3.000 7.000 4.211 2.931 5.213 0.069 4 0 "[ . 1]" 1
14 1 41 VAL MG2 1 44 VAL MG2 5.000 3.000 7.000 3.822 3.204 5.178 . 0 0 "[ . 1]" 1
15 1 34 ILE MD 1 46 VAL MG2 5.000 3.000 7.000 3.757 2.817 5.160 0.183 10 0 "[ . 1]" 1
16 1 46 VAL MG2 1 52 VAL MG2 5.000 3.000 7.000 4.046 3.052 5.193 . 0 0 "[ . 1]" 1
17 1 53 ILE MD 1 207 VAL MG2 5.000 3.000 7.000 4.343 3.360 5.748 . 0 0 "[ . 1]" 1
18 1 53 ILE MD 1 226 ILE MD 5.000 3.000 7.000 3.334 2.852 4.864 0.148 5 0 "[ . 1]" 1
19 1 63 VAL MG2 1 65 ILE MD 5.000 3.000 7.000 4.999 4.306 6.716 . 0 0 "[ . 1]" 1
20 1 63 VAL MG2 1 204 VAL MG2 5.000 3.000 7.000 4.175 3.067 5.492 . 0 0 "[ . 1]" 1
21 1 63 VAL MG2 1 348 ILE MD 5.000 3.000 7.000 3.104 2.937 3.340 0.063 9 0 "[ . 1]" 1
22 1 65 ILE MD 1 204 VAL MG2 5.000 3.000 7.000 3.929 2.888 4.837 0.112 3 0 "[ . 1]" 1
23 1 76 VAL MG2 1 105 VAL MG2 5.000 3.000 7.000 4.674 3.029 5.727 . 0 0 "[ . 1]" 1
24 1 76 VAL MG2 1 162 ILE MD 5.000 3.000 7.000 3.823 2.759 5.125 0.241 4 0 "[ . 1]" 1
25 1 79 ILE MD 1 156 VAL MG2 5.000 3.000 7.000 3.672 2.797 4.660 0.203 3 0 "[ . 1]" 1
26 1 90 ILE MD 1 161 VAL MG2 5.000 3.000 7.000 7.081 6.942 7.209 0.209 1 0 "[ . 1]" 1
27 1 99 ILE MD 1 139 ILE MD 5.000 3.000 7.000 4.097 3.058 5.029 . 0 0 "[ . 1]" 1
28 1 105 VAL MG2 1 113 ILE MD 5.000 3.000 7.000 2.712 2.232 2.855 0.768 2 2 "[ +- . 1]" 1
29 1 105 VAL MG2 1 141 ILE MD 5.000 3.000 7.000 4.274 2.665 6.726 0.335 8 0 "[ . 1]" 1
30 1 105 VAL MG2 1 143 ILE MD 5.000 3.000 7.000 4.563 2.536 5.549 0.464 9 0 "[ . 1]" 1
31 1 105 VAL MG2 1 156 VAL MG2 5.000 3.000 7.000 3.938 2.845 5.087 0.155 2 0 "[ . 1]" 1
32 1 105 VAL MG2 1 162 ILE MD 5.000 3.000 7.000 3.173 2.652 4.085 0.348 4 0 "[ . 1]" 1
33 1 107 ILE MD 1 113 ILE MD 5.000 3.000 7.000 3.372 2.839 4.710 0.161 3 0 "[ . 1]" 1
34 1 113 ILE MD 1 143 ILE MD 5.000 3.000 7.000 3.761 2.745 5.049 0.255 9 0 "[ . 1]" 1
35 1 113 ILE MD 1 156 VAL MG2 5.000 3.000 7.000 3.460 2.899 4.599 0.101 7 0 "[ . 1]" 1
36 1 87 VAL MG2 1 141 ILE MD 5.000 3.000 7.000 3.599 2.799 5.329 0.201 9 0 "[ . 1]" 1
37 1 141 ILE MD 1 162 ILE MD 5.000 3.000 7.000 3.680 2.814 4.690 0.186 9 0 "[ . 1]" 1
38 1 143 ILE MD 1 156 VAL MG2 5.000 3.000 7.000 3.031 2.565 4.403 0.435 6 0 "[ . 1]" 1
39 1 177 VAL MG2 1 328 VAL MG2 5.000 3.000 7.000 5.529 4.009 6.759 . 0 0 "[ . 1]" 1
40 1 185 ILE MD 1 317 VAL MG2 5.000 3.000 7.000 3.969 2.811 5.163 0.189 3 0 "[ . 1]" 1
41 1 185 ILE MD 1 329 VAL MG2 5.000 3.000 7.000 3.294 2.688 3.923 0.312 4 0 "[ . 1]" 1
42 1 185 ILE MD 1 334 VAL MG2 5.000 3.000 7.000 3.486 2.807 4.707 0.193 2 0 "[ . 1]" 1
43 1 193 VAL MG2 1 234 ILE MD 5.000 3.000 7.000 4.600 4.004 5.606 . 0 0 "[ . 1]" 1
44 1 193 VAL MG2 1 338 VAL MG2 5.000 3.000 7.000 3.602 2.907 4.660 0.093 1 0 "[ . 1]" 1
45 1 207 VAL MG2 1 226 ILE MD 5.000 3.000 7.000 4.210 2.732 5.603 0.268 2 0 "[ . 1]" 1
46 1 236 VAL MG2 1 322 ILE MD 5.000 3.000 7.000 6.400 5.395 7.121 0.121 7 0 "[ . 1]" 1
47 1 238 ILE MD 1 251 VAL MG2 5.000 3.000 7.000 6.867 5.734 7.344 0.344 2 0 "[ . 1]" 1
48 1 262 ILE MD 1 292 ILE MD 5.000 3.000 7.000 4.561 3.183 6.436 . 0 0 "[ . 1]" 1
49 1 273 ILE MD 1 348 ILE MD 5.000 3.000 7.000 3.779 2.926 4.637 0.074 2 0 "[ . 1]" 1
50 1 329 VAL MG2 1 334 VAL MG2 5.000 3.000 7.000 3.867 2.893 4.724 0.107 9 0 "[ . 1]" 1
51 1 7 VAL MG2 1 15 VAL MG2 5.000 3.000 8.000 6.307 4.991 7.492 . 0 0 "[ . 1]" 1
52 1 7 VAL MG2 1 329 VAL MG2 5.000 3.000 8.000 5.638 4.874 8.085 0.085 8 0 "[ . 1]" 1
53 1 7 VAL MG2 1 338 VAL MG2 5.000 3.000 8.000 4.700 3.427 6.371 . 0 0 "[ . 1]" 1
54 1 15 VAL MG2 1 187 VAL MG2 5.000 3.000 8.000 4.597 3.025 5.194 . 0 0 "[ . 1]" 1
55 1 16 VAL MG2 1 179 ILE MD 5.000 3.000 8.000 4.538 2.944 5.698 0.056 7 0 "[ . 1]" 1
56 1 32 VAL MG2 1 33 VAL MG2 5.000 3.000 8.000 4.759 2.796 6.186 0.204 4 0 "[ . 1]" 1
57 1 37 ILE MD 1 65 ILE MD 5.000 3.000 8.000 6.857 5.422 8.129 0.129 4 0 "[ . 1]" 1
58 1 52 VAL MG2 1 190 ILE MD 5.000 3.000 8.000 6.141 4.883 7.534 . 0 0 "[ . 1]" 1
59 1 63 VAL MG2 1 273 ILE MD 5.000 3.000 8.000 5.957 5.196 6.331 . 0 0 "[ . 1]" 1
60 1 65 ILE MD 1 348 ILE MD 5.000 3.000 8.000 5.420 3.922 7.473 . 0 0 "[ . 1]" 1
61 1 65 ILE MD 1 226 ILE MD 5.000 3.000 8.000 7.837 6.745 8.117 0.117 1 0 "[ . 1]" 1
62 1 76 VAL MG2 1 79 ILE MD 5.000 3.000 8.000 3.423 2.979 4.596 0.021 3 0 "[ . 1]" 1
63 1 76 VAL MG2 1 113 ILE MD 5.000 3.000 8.000 6.265 5.076 7.675 . 0 0 "[ . 1]" 1
64 1 76 VAL MG2 1 141 ILE MD 5.000 3.000 8.000 6.194 3.209 8.007 0.007 5 0 "[ . 1]" 1
65 1 79 ILE MD 1 113 ILE MD 5.000 3.000 8.000 6.860 6.042 7.921 . 0 0 "[ . 1]" 1
66 1 79 ILE MD 1 143 ILE MD 5.000 3.000 8.000 4.583 3.375 5.887 . 0 0 "[ . 1]" 1
67 1 79 ILE MD 1 158 ILE MD 5.000 3.000 8.000 3.664 2.790 4.991 0.210 10 0 "[ . 1]" 1
68 1 79 ILE MD 1 162 ILE MD 5.000 3.000 8.000 6.531 5.422 8.409 0.409 9 0 "[ . 1]" 1
69 1 87 VAL MG2 1 99 ILE MD 5.000 3.000 8.000 6.064 4.543 6.967 . 0 0 "[ . 1]" 1
70 1 87 VAL MG2 1 105 VAL MG2 5.000 3.000 8.000 6.078 5.000 8.081 0.081 3 0 "[ . 1]" 1
71 1 87 VAL MG2 1 139 ILE MD 5.000 3.000 8.000 4.277 2.989 7.151 0.011 6 0 "[ . 1]" 1
72 1 99 ILE MD 1 141 ILE MD 5.000 3.000 8.000 4.231 3.125 6.800 . 0 0 "[ . 1]" 1
73 1 113 ILE MD 1 162 ILE MD 5.000 3.000 8.000 5.536 4.399 6.217 . 0 0 "[ . 1]" 1
74 1 139 ILE MD 1 141 ILE MD 5.000 3.000 8.000 4.060 2.761 6.689 0.239 7 0 "[ . 1]" 1
75 1 156 VAL MG2 1 162 ILE MD 5.000 3.000 8.000 5.696 4.734 7.357 . 0 0 "[ . 1]" 1
76 1 204 VAL MG2 1 348 ILE MD 5.000 3.000 8.000 6.409 5.380 7.880 . 0 0 "[ . 1]" 1
77 1 210 VAL MG2 1 214 VAL MG2 5.000 3.000 8.000 6.913 5.236 7.875 . 0 0 "[ . 1]" 1
78 1 226 ILE MD 1 303 ILE MD 5.000 3.000 8.000 7.047 3.898 8.071 0.071 8 0 "[ . 1]" 1
79 1 234 ILE MD 1 338 VAL MG2 5.000 3.000 8.000 5.081 4.547 6.522 . 0 0 "[ . 1]" 1
80 1 236 VAL MG2 1 238 ILE MD 5.000 3.000 8.000 5.659 3.351 7.515 . 0 0 "[ . 1]" 1
81 1 238 ILE MD 1 242 ILE MD 5.000 3.000 8.000 6.232 4.586 7.596 . 0 0 "[ . 1]" 1
82 1 260 ILE MD 1 262 ILE MD 5.000 3.000 8.000 5.494 4.390 6.944 . 0 0 "[ . 1]" 1
83 1 260 ILE MD 1 274 VAL MG2 5.000 3.000 8.000 4.789 3.363 5.559 . 0 0 "[ . 1]" 1
84 1 260 ILE MD 1 286 ILE MD 5.000 3.000 8.000 7.029 6.043 8.023 0.023 10 0 "[ . 1]" 1
85 1 267 VAL QG 1 274 VAL MG2 5.000 3.000 8.000 4.743 4.461 6.242 . 0 0 "[ . 1]" 1
86 1 267 VAL QG 1 303 ILE MD 5.000 3.000 8.000 5.597 4.658 6.464 . 0 0 "[ . 1]" 1
87 1 273 ILE MD 1 274 VAL MG2 5.000 3.000 8.000 5.016 4.508 5.856 . 0 0 "[ . 1]" 1
88 1 273 ILE MD 1 310 VAL MG2 5.000 3.000 8.000 6.071 4.672 6.672 . 0 0 "[ . 1]" 1
89 1 274 VAL MG2 1 292 ILE MD 5.000 3.000 8.000 7.778 6.116 8.227 0.227 5 0 "[ . 1]" 1
90 1 262 ILE MD 1 274 VAL MG2 5.000 3.000 8.000 4.001 2.913 4.992 0.087 8 0 "[ . 1]" 1
91 1 317 VAL MG2 1 329 VAL MG2 5.000 3.000 8.000 4.933 3.863 6.273 . 0 0 "[ . 1]" 1
92 1 317 VAL MG2 1 338 VAL MG2 5.000 3.000 8.000 5.160 4.704 6.167 . 0 0 "[ . 1]" 1
93 1 3 VAL MG2 1 329 VAL MG2 5.000 3.000 7.000 7.135 6.543 7.397 0.397 5 0 "[ . 1]" 1
94 1 63 VAL MG2 1 353 ILE MD 5.000 3.000 7.000 7.180 7.021 7.327 0.327 10 0 "[ . 1]" 1
95 1 99 ILE MD 1 120 VAL MG2 5.000 3.000 7.000 7.040 5.998 7.457 0.457 8 0 "[ . 1]" 1
96 1 120 VAL MG2 1 124 ILE MD 5.000 3.000 7.000 7.211 7.047 7.368 0.368 9 0 "[ . 1]" 1
97 1 120 VAL MG2 1 139 ILE MD 5.000 3.000 7.000 4.690 3.116 5.811 . 0 0 "[ . 1]" 1
98 1 267 VAL QG 1 353 ILE MD 5.000 3.000 7.000 7.723 7.451 8.016 1.016 4 8 "[* -+* ****]" 1
99 1 273 ILE MD 1 353 ILE MD 5.000 3.000 7.000 3.116 2.781 3.489 0.219 7 0 "[ . 1]" 1
100 1 274 VAL MG2 1 353 ILE MD 5.000 3.000 7.000 6.888 6.562 7.397 0.397 8 0 "[ . 1]" 1
101 1 348 ILE MD 1 353 ILE MD 5.000 3.000 7.000 5.414 4.880 5.952 . 0 0 "[ . 1]" 1
102 1 15 VAL MG2 1 190 ILE MD 5.000 3.000 10.000 7.380 5.928 8.592 . 0 0 "[ . 1]" 1
103 1 37 ILE MD 1 204 VAL MG2 5.000 3.000 10.000 6.962 4.969 8.786 . 0 0 "[ . 1]" 1
104 1 79 ILE MD 1 141 ILE MD 5.000 3.000 10.000 7.640 5.973 9.398 . 0 0 "[ . 1]" 1
105 1 113 ILE MD 1 141 ILE MD 5.000 3.000 10.000 6.120 3.575 7.386 . 0 0 "[ . 1]" 1
106 1 141 ILE MD 1 143 ILE MD 5.000 3.000 10.000 6.588 3.749 7.896 . 0 0 "[ . 1]" 1
107 1 141 ILE MD 1 156 VAL MG2 5.000 3.000 10.000 7.030 4.599 8.479 . 0 0 "[ . 1]" 1
108 1 193 VAL MG2 1 204 VAL MG2 5.000 3.000 10.000 5.647 4.628 6.245 . 0 0 "[ . 1]" 1
109 1 234 ILE MD 1 348 ILE MD 5.000 3.000 10.000 8.497 7.106 9.590 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 17
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 11.149
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.1115
_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 19 PRO 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 1.115 0.163 4 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 89 PRO 0.000 0.000 . 0 "[ . 1]"
1 104 LYS 0.000 0.000 . 0 "[ . 1]"
1 108 ASP 1.115 0.163 4 0 "[ . 1]"
1 109 LYS 0.000 0.000 . 0 "[ . 1]"
1 111 LYS 0.000 0.000 . 0 "[ . 1]"
1 165 ASP 0.000 0.000 . 0 "[ . 1]"
1 203 ASP 0.000 0.000 . 0 "[ . 1]"
1 235 ASP 0.000 0.000 . 0 "[ . 1]"
1 254 LEU 0.000 0.000 . 0 "[ . 1]"
1 277 LEU 0.000 0.000 . 0 "[ . 1]"
1 315 LEU 0.000 0.000 . 0 "[ . 1]"
1 318 PRO 0.000 0.000 . 0 "[ . 1]"
1 340 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 277 LEU C 1 340 LEU CD2 7.000 3.000 9.000 5.663 5.453 5.923 . 0 0 "[ . 1]" 2
2 1 42 ASP CG 1 57 LYS CA 7.000 3.000 9.000 5.045 4.594 5.431 . 0 0 "[ . 1]" 2
3 1 104 LYS CG 1 165 ASP C 7.000 3.000 9.000 5.891 5.703 6.590 . 0 0 "[ . 1]" 2
4 1 108 ASP CA 1 111 LYS C 7.000 3.000 9.000 4.805 4.668 4.901 . 0 0 "[ . 1]" 2
5 1 235 ASP CA 1 315 LEU C 7.000 3.000 9.000 6.024 5.819 6.321 . 0 0 "[ . 1]" 2
6 1 62 LYS C 1 203 ASP C 7.000 3.000 9.000 4.809 4.623 5.163 . 0 0 "[ . 1]" 2
7 1 57 LYS CA 1 203 ASP CB 7.000 3.000 9.000 5.109 4.161 5.795 . 0 0 "[ . 1]" 2
8 1 254 LEU CA 1 318 PRO CB 7.000 3.000 9.000 5.861 5.569 6.178 . 0 0 "[ . 1]" 2
9 1 62 LYS CB 1 203 ASP CA 7.000 3.000 9.000 5.916 5.647 6.478 . 0 0 "[ . 1]" 2
10 1 62 LYS CG 1 203 ASP CA 7.000 3.000 9.000 6.004 5.578 7.104 . 0 0 "[ . 1]" 2
11 1 27 LEU CD1 1 108 ASP CA 7.000 3.000 9.000 9.111 9.003 9.163 0.163 4 0 "[ . 1]" 2
12 1 62 LYS CG 1 203 ASP CB 7.000 3.000 9.000 5.045 4.493 6.489 . 0 0 "[ . 1]" 2
13 1 74 LEU CD2 1 89 PRO CB 7.000 3.000 9.000 6.579 4.891 8.129 . 0 0 "[ . 1]" 2
14 1 27 LEU CA 1 109 LYS CB 7.000 3.000 9.000 7.403 6.921 8.300 . 0 0 "[ . 1]" 2
15 1 19 PRO CB 1 27 LEU CD2 7.000 3.000 9.000 7.035 5.987 8.815 . 0 0 "[ . 1]" 2
16 1 27 LEU CD2 1 109 LYS CB 7.000 3.000 9.000 5.195 4.444 6.735 . 0 0 "[ . 1]" 2
17 1 277 LEU CD2 1 340 LEU CB 7.000 3.000 9.000 6.287 5.551 7.996 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 350
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 24.138
_Distance_constraint_stats_list.Viol_max 0.574
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.2194
_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 7 VAL 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 14 LYS 0.000 0.000 . 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 GLU 0.000 0.000 . 0 "[ . 1]"
1 18 ALA 0.000 0.000 . 0 "[ . 1]"
1 20 GLY 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 TYR 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 PHE 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 1.617 0.400 6 0 "[ . 1]"
1 28 GLY 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.000 0.000 . 0 "[ . 1]"
1 32 VAL 0.000 0.000 . 0 "[ . 1]"
1 33 VAL 0.000 0.000 . 0 "[ . 1]"
1 36 GLU 0.000 0.000 . 0 "[ . 1]"
1 38 LYS 0.000 0.000 . 0 "[ . 1]"
1 39 ASP 0.000 0.000 . 0 "[ . 1]"
1 40 TYR 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 43 GLU 0.000 0.000 . 0 "[ . 1]"
1 44 VAL 0.000 0.000 . 0 "[ . 1]"
1 45 LYS 0.000 0.000 . 0 "[ . 1]"
1 46 VAL 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 53 ILE 0.000 0.000 . 0 "[ . 1]"
1 55 HIS 0.000 0.000 . 0 "[ . 1]"
1 56 LYS 0.000 0.000 . 0 "[ . 1]"
1 57 LYS 0.000 0.000 . 0 "[ . 1]"
1 58 GLY 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.000 0.000 . 0 "[ . 1]"
1 63 VAL 0.000 0.000 . 0 "[ . 1]"
1 65 ILE 0.000 0.000 . 0 "[ . 1]"
1 73 GLY 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 0.000 0.000 . 0 "[ . 1]"
1 76 VAL 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.000 0.000 . 0 "[ . 1]"
1 78 HIS 0.000 0.000 . 0 "[ . 1]"
1 79 ILE 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.000 0.000 . 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 ASN 0.000 0.000 . 0 "[ . 1]"
1 83 GLY 0.000 0.000 . 0 "[ . 1]"
1 84 PHE 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.000 0.000 . 0 "[ . 1]"
1 87 VAL 0.000 0.000 . 0 "[ . 1]"
1 90 ILE 0.000 0.000 . 0 "[ . 1]"
1 91 GLY 0.000 0.000 . 0 "[ . 1]"
1 92 GLY 0.000 0.000 . 0 "[ . 1]"
1 93 VAL 0.000 0.000 . 0 "[ . 1]"
1 94 ASP 0.000 0.000 . 0 "[ . 1]"
1 96 LYS 0.000 0.000 . 0 "[ . 1]"
1 100 ALA 0.000 0.000 . 0 "[ . 1]"
1 101 GLN 0.000 0.000 . 0 "[ . 1]"
1 102 ARG 0.574 0.574 2 1 "[ + . 1]"
1 105 VAL 0.574 0.574 2 1 "[ + . 1]"
1 107 ILE 0.000 0.000 . 0 "[ . 1]"
1 108 ASP 0.000 0.000 . 0 "[ . 1]"
1 109 LYS 0.000 0.000 . 0 "[ . 1]"
1 110 GLY 0.000 0.000 . 0 "[ . 1]"
1 111 LYS 0.000 0.000 . 0 "[ . 1]"
1 113 ILE 0.000 0.000 . 0 "[ . 1]"
1 141 ILE 0.000 0.000 . 0 "[ . 1]"
1 143 ILE 0.000 0.000 . 0 "[ . 1]"
1 146 GLU 0.000 0.000 . 0 "[ . 1]"
1 147 SER 0.000 0.000 . 0 "[ . 1]"
1 148 LYS 0.000 0.000 . 0 "[ . 1]"
1 149 GLU 0.000 0.000 . 0 "[ . 1]"
1 150 GLU 0.000 0.000 . 0 "[ . 1]"
1 152 GLU 0.000 0.000 . 0 "[ . 1]"
1 153 ASP 0.000 0.000 . 0 "[ . 1]"
1 155 GLY 0.000 0.000 . 0 "[ . 1]"
1 156 VAL 0.000 0.000 . 0 "[ . 1]"
1 157 LYS 0.000 0.000 . 0 "[ . 1]"
1 158 ILE 0.000 0.000 . 0 "[ . 1]"
1 159 GLY 0.000 0.000 . 0 "[ . 1]"
1 161 VAL 1.617 0.400 6 0 "[ . 1]"
1 162 ILE 0.000 0.000 . 0 "[ . 1]"
1 165 ASP 0.000 0.000 . 0 "[ . 1]"
1 166 GLY 0.000 0.000 . 0 "[ . 1]"
1 168 LEU 0.000 0.000 . 0 "[ . 1]"
1 170 ARG 0.000 0.000 . 0 "[ . 1]"
1 171 LEU 0.000 0.000 . 0 "[ . 1]"
1 172 GLY 0.000 0.000 . 0 "[ . 1]"
1 173 LYS 0.000 0.000 . 0 "[ . 1]"
1 174 HIS 0.000 0.000 . 0 "[ . 1]"
1 175 ARG 0.000 0.000 . 0 "[ . 1]"
1 177 VAL 0.000 0.000 . 0 "[ . 1]"
1 179 ILE 0.000 0.000 . 0 "[ . 1]"
1 180 ALA 0.000 0.000 . 0 "[ . 1]"
1 181 PHE 0.000 0.000 . 0 "[ . 1]"
1 182 ASP 0.000 0.000 . 0 "[ . 1]"
1 185 ILE 0.000 0.000 . 0 "[ . 1]"
1 186 ALA 0.000 0.000 . 0 "[ . 1]"
1 190 ILE 0.000 0.000 . 0 "[ . 1]"
1 193 VAL 0.000 0.000 . 0 "[ . 1]"
1 195 LYS 0.000 0.000 . 0 "[ . 1]"
1 196 GLN 0.000 0.000 . 0 "[ . 1]"
1 197 LEU 0.000 0.000 . 0 "[ . 1]"
1 203 ASP 0.000 0.000 . 0 "[ . 1]"
1 204 VAL 0.000 0.000 . 0 "[ . 1]"
1 207 VAL 0.000 0.000 . 0 "[ . 1]"
1 220 ARG 0.000 0.000 . 0 "[ . 1]"
1 221 THR 0.000 0.000 . 0 "[ . 1]"
1 222 SER 0.000 0.000 . 0 "[ . 1]"
1 223 ALA 0.000 0.000 . 0 "[ . 1]"
1 224 PHE 0.000 0.000 . 0 "[ . 1]"
1 225 GLY 0.000 0.000 . 0 "[ . 1]"
1 226 ILE 0.000 0.000 . 0 "[ . 1]"
1 227 GLU 0.000 0.000 . 0 "[ . 1]"
1 229 ASP 0.000 0.000 . 0 "[ . 1]"
1 231 GLY 0.000 0.000 . 0 "[ . 1]"
1 235 ASP 0.000 0.000 . 0 "[ . 1]"
1 236 VAL 0.000 0.000 . 0 "[ . 1]"
1 238 ILE 0.000 0.000 . 0 "[ . 1]"
1 239 ALA 0.000 0.000 . 0 "[ . 1]"
1 240 ALA 0.000 0.000 . 0 "[ . 1]"
1 241 ASP 0.000 0.000 . 0 "[ . 1]"
1 242 ILE 0.000 0.000 . 0 "[ . 1]"
1 244 GLY 0.000 0.000 . 0 "[ . 1]"
1 245 THR 0.000 0.000 . 0 "[ . 1]"
1 247 GLU 0.000 0.000 . 0 "[ . 1]"
1 248 HIS 0.000 0.000 . 0 "[ . 1]"
1 249 LYS 0.000 0.000 . 0 "[ . 1]"
1 251 VAL 0.000 0.000 . 0 "[ . 1]"
1 252 THR 0.000 0.000 . 0 "[ . 1]"
1 254 LEU 0.000 0.000 . 0 "[ . 1]"
1 255 GLY 0.000 0.000 . 0 "[ . 1]"
1 260 ILE 0.000 0.000 . 0 "[ . 1]"
1 262 ILE 0.000 0.000 . 0 "[ . 1]"
1 263 MET 0.000 0.000 . 0 "[ . 1]"
1 264 ASP 0.000 0.000 . 0 "[ . 1]"
1 267 VAL 0.000 0.000 . 0 "[ . 1]"
1 270 HIS 0.000 0.000 . 0 "[ . 1]"
1 272 THR 0.000 0.000 . 0 "[ . 1]"
1 273 ILE 0.223 0.223 7 0 "[ . 1]"
1 274 VAL 0.000 0.000 . 0 "[ . 1]"
1 275 ARG 0.000 0.000 . 0 "[ . 1]"
1 276 TRP 0.000 0.000 . 0 "[ . 1]"
1 277 LEU 0.000 0.000 . 0 "[ . 1]"
1 286 ILE 0.000 0.000 . 0 "[ . 1]"
1 288 TYR 0.000 0.000 . 0 "[ . 1]"
1 290 LEU 0.000 0.000 . 0 "[ . 1]"
1 291 GLU 0.000 0.000 . 0 "[ . 1]"
1 292 ILE 0.000 0.000 . 0 "[ . 1]"
1 301 GLY 0.000 0.000 . 0 "[ . 1]"
1 303 ILE 0.000 0.000 . 0 "[ . 1]"
1 304 HIS 0.000 0.000 . 0 "[ . 1]"
1 305 LEU 0.000 0.000 . 0 "[ . 1]"
1 306 THR 0.000 0.000 . 0 "[ . 1]"
1 307 LYS 0.000 0.000 . 0 "[ . 1]"
1 308 ALA 0.000 0.000 . 0 "[ . 1]"
1 309 GLY 0.000 0.000 . 0 "[ . 1]"
1 310 VAL 0.000 0.000 . 0 "[ . 1]"
1 312 THR 0.000 0.000 . 0 "[ . 1]"
1 313 GLY 0.000 0.000 . 0 "[ . 1]"
1 317 VAL 0.000 0.000 . 0 "[ . 1]"
1 322 ILE 0.000 0.000 . 0 "[ . 1]"
1 328 VAL 0.000 0.000 . 0 "[ . 1]"
1 329 VAL 0.000 0.000 . 0 "[ . 1]"
1 334 VAL 0.000 0.000 . 0 "[ . 1]"
1 338 VAL 0.000 0.000 . 0 "[ . 1]"
1 340 LEU 0.000 0.000 . 0 "[ . 1]"
1 345 LEU 0.000 0.000 . 0 "[ . 1]"
1 348 ILE 0.000 0.000 . 0 "[ . 1]"
1 351 LEU 0.223 0.223 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 348 ILE CD1 1 351 LEU CD2 7.000 . 11.000 5.932 2.868 9.823 . 0 0 "[ . 1]" 3
2 1 317 VAL CG2 1 338 VAL CG2 7.000 . 11.000 8.052 7.507 9.053 . 0 0 "[ . 1]" 3
3 1 317 VAL CG2 1 334 VAL CG2 7.000 . 11.000 6.446 5.208 7.748 . 0 0 "[ . 1]" 3
4 1 7 VAL CG2 1 334 VAL CG2 7.000 . 11.000 4.902 3.382 7.259 . 0 0 "[ . 1]" 3
5 1 329 VAL CG2 1 334 VAL CG2 7.000 . 11.000 5.929 4.968 6.834 . 0 0 "[ . 1]" 3
6 1 328 VAL CG2 1 329 VAL CG2 7.000 . 11.000 7.203 6.703 8.333 . 0 0 "[ . 1]" 3
7 1 235 ASP N 1 317 VAL CG2 7.000 . 11.000 6.931 6.535 7.525 . 0 0 "[ . 1]" 3
8 1 310 VAL CG2 1 312 THR N 7.000 . 11.000 6.219 5.453 7.344 . 0 0 "[ . 1]" 3
9 1 312 THR N 1 313 GLY N 7.000 . 11.000 3.570 3.528 3.591 . 0 0 "[ . 1]" 3
10 1 309 GLY N 1 310 VAL N 7.000 . 11.000 2.842 2.623 3.210 . 0 0 "[ . 1]" 3
11 1 307 LYS N 1 310 VAL N 7.000 . 11.000 6.501 6.265 6.962 . 0 0 "[ . 1]" 3
12 1 309 GLY N 1 310 VAL CG2 7.000 . 11.000 4.954 4.307 6.104 . 0 0 "[ . 1]" 3
13 1 308 ALA N 1 310 VAL CG2 7.000 . 11.000 6.375 5.593 8.070 . 0 0 "[ . 1]" 3
14 1 308 ALA N 1 309 GLY N 7.000 . 11.000 2.659 2.633 2.678 . 0 0 "[ . 1]" 3
15 1 307 LYS N 1 308 ALA N 7.000 . 11.000 2.601 2.574 2.655 . 0 0 "[ . 1]" 3
16 1 307 LYS N 1 310 VAL CG2 7.000 . 11.000 7.839 7.105 9.529 . 0 0 "[ . 1]" 3
17 1 307 LYS N 1 309 GLY N 7.000 . 11.000 4.215 4.122 4.276 . 0 0 "[ . 1]" 3
18 1 306 THR N 1 310 VAL CG2 7.000 . 11.000 7.272 6.112 8.976 . 0 0 "[ . 1]" 3
19 1 306 THR N 1 309 GLY N 7.000 . 11.000 5.184 5.025 5.336 . 0 0 "[ . 1]" 3
20 1 306 THR N 1 307 LYS N 7.000 . 11.000 3.540 3.524 3.549 . 0 0 "[ . 1]" 3
21 1 305 LEU N 1 307 LYS N 7.000 . 11.000 5.989 5.933 6.041 . 0 0 "[ . 1]" 3
22 1 305 LEU N 1 306 THR N 7.000 . 11.000 2.605 2.585 2.633 . 0 0 "[ . 1]" 3
23 1 304 HIS N 1 305 LEU N 7.000 . 11.000 2.674 2.651 2.695 . 0 0 "[ . 1]" 3
24 1 301 GLY N 1 303 ILE N 7.000 . 11.000 4.122 4.086 4.226 . 0 0 "[ . 1]" 3
25 1 158 ILE N 1 159 GLY N 7.000 . 11.000 3.492 3.446 3.534 . 0 0 "[ . 1]" 3
26 1 263 MET N 1 292 ILE N 7.000 . 11.000 5.658 5.521 5.812 . 0 0 "[ . 1]" 3
27 1 291 GLU N 1 292 ILE N 7.000 . 11.000 3.493 3.448 3.520 . 0 0 "[ . 1]" 3
28 1 291 GLU N 1 292 ILE CD1 7.000 . 11.000 5.094 3.689 7.628 . 0 0 "[ . 1]" 3
29 1 290 LEU N 1 292 ILE CD1 7.000 . 11.000 7.428 6.063 10.535 . 0 0 "[ . 1]" 3
30 1 290 LEU N 1 292 ILE N 7.000 . 11.000 6.654 6.386 6.760 . 0 0 "[ . 1]" 3
31 1 290 LEU CD2 1 292 ILE CD1 7.000 . 11.000 8.564 6.482 10.974 . 0 0 "[ . 1]" 3
32 1 290 LEU CD2 1 291 GLU N 7.000 . 11.000 4.990 4.759 5.795 . 0 0 "[ . 1]" 3
33 1 288 TYR N 1 340 LEU CD2 7.000 . 11.000 7.570 7.034 8.875 . 0 0 "[ . 1]" 3
34 1 286 ILE CD1 1 340 LEU CD2 7.000 . 11.000 7.262 5.953 8.189 . 0 0 "[ . 1]" 3
35 1 286 ILE CD1 1 288 TYR N 7.000 . 11.000 8.006 7.906 8.104 . 0 0 "[ . 1]" 3
36 1 277 LEU CD2 1 340 LEU CD2 7.000 . 11.000 4.560 3.153 6.295 . 0 0 "[ . 1]" 3
37 1 275 ARG N 1 276 TRP N 7.000 . 11.000 2.738 2.722 2.765 . 0 0 "[ . 1]" 3
38 1 274 VAL CG2 1 275 ARG N 7.000 . 11.000 4.170 2.544 4.404 . 0 0 "[ . 1]" 3
39 1 273 ILE CD1 1 274 VAL CG2 7.000 . 11.000 7.336 6.922 8.222 . 0 0 "[ . 1]" 3
40 1 273 ILE CD1 1 351 LEU CD2 7.000 . 11.000 7.082 4.526 11.223 0.223 7 0 "[ . 1]" 3
41 1 273 ILE CD1 1 312 THR N 7.000 . 11.000 4.835 3.944 6.301 . 0 0 "[ . 1]" 3
42 1 273 ILE CD1 1 348 ILE CD1 7.000 . 11.000 6.006 4.891 7.149 . 0 0 "[ . 1]" 3
43 1 273 ILE N 1 274 VAL CG2 7.000 . 11.000 5.449 5.046 6.419 . 0 0 "[ . 1]" 3
44 1 273 ILE N 1 275 ARG N 7.000 . 11.000 4.286 4.180 4.359 . 0 0 "[ . 1]" 3
45 1 270 HIS N 1 273 ILE N 7.000 . 11.000 5.353 5.159 5.497 . 0 0 "[ . 1]" 3
46 1 272 THR N 1 273 ILE N 7.000 . 11.000 2.750 2.715 2.778 . 0 0 "[ . 1]" 3
47 1 272 THR N 1 276 TRP N 7.000 . 11.000 5.618 5.464 5.732 . 0 0 "[ . 1]" 3
48 1 272 THR N 1 312 THR N 7.000 . 11.000 8.853 8.402 9.357 . 0 0 "[ . 1]" 3
49 1 270 HIS N 1 274 VAL CG2 7.000 . 11.000 4.829 4.407 5.964 . 0 0 "[ . 1]" 3
50 1 267 VAL CG2 1 270 HIS N 7.000 . 11.000 5.283 5.011 5.485 . 0 0 "[ . 1]" 3
51 1 263 MET N 1 264 ASP N 7.000 . 11.000 3.539 3.515 3.562 . 0 0 "[ . 1]" 3
52 1 262 ILE N 1 290 LEU CD2 7.000 . 11.000 5.932 5.453 6.871 . 0 0 "[ . 1]" 3
53 1 262 ILE N 1 263 MET N 7.000 . 11.000 2.725 2.678 2.777 . 0 0 "[ . 1]" 3
54 1 262 ILE N 1 291 GLU N 7.000 . 11.000 4.652 4.557 4.757 . 0 0 "[ . 1]" 3
55 1 262 ILE CD1 1 292 ILE N 7.000 . 11.000 6.313 4.902 8.062 . 0 0 "[ . 1]" 3
56 1 262 ILE CD1 1 290 LEU CD2 7.000 . 11.000 4.393 3.558 6.725 . 0 0 "[ . 1]" 3
57 1 262 ILE CD1 1 290 LEU N 7.000 . 11.000 6.404 5.705 9.017 . 0 0 "[ . 1]" 3
58 1 262 ILE CD1 1 291 GLU N 7.000 . 11.000 5.384 4.410 7.666 . 0 0 "[ . 1]" 3
59 1 262 ILE CD1 1 292 ILE CD1 7.000 . 11.000 6.753 5.311 8.561 . 0 0 "[ . 1]" 3
60 1 260 ILE CD1 1 290 LEU CD2 7.000 . 11.000 4.879 4.104 6.335 . 0 0 "[ . 1]" 3
61 1 260 ILE CD1 1 277 LEU CD2 7.000 . 11.000 5.303 3.466 6.325 . 0 0 "[ . 1]" 3
62 1 260 ILE CD1 1 340 LEU CD2 7.000 . 11.000 4.728 3.432 5.879 . 0 0 "[ . 1]" 3
63 1 254 LEU N 1 255 GLY N 7.000 . 11.000 2.594 2.569 2.616 . 0 0 "[ . 1]" 3
64 1 251 VAL N 1 292 ILE N 7.000 . 11.000 9.537 8.993 10.699 . 0 0 "[ . 1]" 3
65 1 251 VAL N 1 252 THR N 7.000 . 11.000 2.670 2.640 2.737 . 0 0 "[ . 1]" 3
66 1 249 LYS N 1 251 VAL N 7.000 . 11.000 4.165 4.051 4.265 . 0 0 "[ . 1]" 3
67 1 249 LYS N 1 251 VAL CG2 7.000 . 11.000 5.584 4.258 7.023 . 0 0 "[ . 1]" 3
68 1 251 VAL CG2 1 252 THR N 7.000 . 11.000 3.841 3.139 4.686 . 0 0 "[ . 1]" 3
69 1 248 HIS N 1 249 LYS N 7.000 . 11.000 2.697 2.674 2.709 . 0 0 "[ . 1]" 3
70 1 247 GLU N 1 248 HIS N 7.000 . 11.000 2.705 2.682 2.733 . 0 0 "[ . 1]" 3
71 1 247 GLU N 1 249 LYS N 7.000 . 11.000 4.266 4.220 4.343 . 0 0 "[ . 1]" 3
72 1 244 GLY N 1 245 THR N 7.000 . 11.000 2.532 2.505 2.553 . 0 0 "[ . 1]" 3
73 1 242 ILE N 1 245 THR N 7.000 . 11.000 5.625 5.423 6.174 . 0 0 "[ . 1]" 3
74 1 240 ALA N 1 242 ILE N 7.000 . 11.000 4.734 4.648 4.801 . 0 0 "[ . 1]" 3
75 1 242 ILE CD1 1 245 THR N 7.000 . 11.000 7.061 5.471 8.200 . 0 0 "[ . 1]" 3
76 1 272 THR N 1 274 VAL CG2 7.000 . 11.000 5.941 4.879 7.011 . 0 0 "[ . 1]" 3
77 1 241 ASP N 1 249 LYS N 7.000 . 11.000 8.332 7.746 9.111 . 0 0 "[ . 1]" 3
78 1 240 ALA N 1 241 ASP N 7.000 . 11.000 3.412 3.346 3.460 . 0 0 "[ . 1]" 3
79 1 241 ASP N 1 242 ILE N 7.000 . 11.000 2.877 2.853 2.899 . 0 0 "[ . 1]" 3
80 1 241 ASP N 1 252 THR N 7.000 . 11.000 7.234 5.871 8.047 . 0 0 "[ . 1]" 3
81 1 240 ALA N 1 252 THR N 7.000 . 11.000 6.822 5.720 7.442 . 0 0 "[ . 1]" 3
82 1 239 ALA N 1 251 VAL CG2 7.000 . 11.000 9.653 8.428 10.454 . 0 0 "[ . 1]" 3
83 1 239 ALA N 1 252 THR N 7.000 . 11.000 6.073 5.561 6.490 . 0 0 "[ . 1]" 3
84 1 239 ALA N 1 241 ASP N 7.000 . 11.000 6.304 6.249 6.415 . 0 0 "[ . 1]" 3
85 1 239 ALA N 1 240 ALA N 7.000 . 11.000 3.196 3.161 3.230 . 0 0 "[ . 1]" 3
86 1 239 ALA N 1 251 VAL N 7.000 . 11.000 7.400 6.489 7.884 . 0 0 "[ . 1]" 3
87 1 236 VAL N 1 238 ILE N 7.000 . 11.000 7.002 6.886 7.072 . 0 0 "[ . 1]" 3
88 1 238 ILE N 1 292 ILE N 7.000 . 11.000 9.473 8.969 10.226 . 0 0 "[ . 1]" 3
89 1 238 ILE N 1 239 ALA N 7.000 . 11.000 3.602 3.591 3.614 . 0 0 "[ . 1]" 3
90 1 236 VAL N 1 322 ILE CD1 7.000 . 11.000 9.619 8.117 10.987 . 0 0 "[ . 1]" 3
91 1 236 VAL CG2 1 322 ILE CD1 7.000 . 11.000 9.513 8.504 10.472 . 0 0 "[ . 1]" 3
92 1 231 GLY N 1 313 GLY N 7.000 . 11.000 5.762 5.448 6.260 . 0 0 "[ . 1]" 3
93 1 231 GLY N 1 273 ILE CD1 7.000 . 11.000 6.863 6.274 7.878 . 0 0 "[ . 1]" 3
94 1 231 GLY N 1 312 THR N 7.000 . 11.000 5.262 4.792 5.821 . 0 0 "[ . 1]" 3
95 1 224 PHE N 1 227 GLU N 7.000 . 11.000 4.581 4.530 4.648 . 0 0 "[ . 1]" 3
96 1 226 ILE N 1 227 GLU N 7.000 . 11.000 2.829 2.790 2.858 . 0 0 "[ . 1]" 3
97 1 223 ALA N 1 227 GLU N 7.000 . 11.000 5.045 4.907 5.138 . 0 0 "[ . 1]" 3
98 1 226 ILE CD1 1 227 GLU N 7.000 . 11.000 5.001 2.768 5.390 . 0 0 "[ . 1]" 3
99 1 225 GLY N 1 226 ILE CD1 7.000 . 11.000 6.352 5.615 6.840 . 0 0 "[ . 1]" 3
100 1 225 GLY N 1 227 GLU N 7.000 . 11.000 4.397 4.307 4.471 . 0 0 "[ . 1]" 3
101 1 222 SER N 1 225 GLY N 7.000 . 11.000 5.578 5.506 5.679 . 0 0 "[ . 1]" 3
102 1 225 GLY N 1 226 ILE N 7.000 . 11.000 2.740 2.729 2.748 . 0 0 "[ . 1]" 3
103 1 223 ALA N 1 225 GLY N 7.000 . 11.000 4.634 4.600 4.661 . 0 0 "[ . 1]" 3
104 1 222 SER N 1 223 ALA N 7.000 . 11.000 2.655 2.625 2.699 . 0 0 "[ . 1]" 3
105 1 220 ARG N 1 221 THR N 7.000 . 11.000 2.747 2.716 2.771 . 0 0 "[ . 1]" 3
106 1 221 THR N 1 222 SER N 7.000 . 11.000 2.796 2.785 2.807 . 0 0 "[ . 1]" 3
107 1 207 VAL CG2 1 303 ILE CD1 7.000 . 11.000 6.785 5.472 7.851 . 0 0 "[ . 1]" 3
108 1 53 ILE CD1 1 207 VAL CG2 7.000 . 11.000 6.108 4.912 7.640 . 0 0 "[ . 1]" 3
109 1 207 VAL CG2 1 226 ILE CD1 7.000 . 11.000 5.898 4.594 7.564 . 0 0 "[ . 1]" 3
110 1 207 VAL CG2 1 225 GLY N 7.000 . 11.000 8.377 7.675 9.301 . 0 0 "[ . 1]" 3
111 1 207 VAL CG2 1 227 GLU N 7.000 . 11.000 6.284 5.564 7.302 . 0 0 "[ . 1]" 3
112 1 55 HIS N 1 207 VAL CG2 7.000 . 11.000 9.019 7.727 10.076 . 0 0 "[ . 1]" 3
113 1 204 VAL CG2 1 345 LEU CD2 7.000 . 11.000 3.974 2.998 5.890 . 0 0 "[ . 1]" 3
114 1 197 LEU CD2 1 204 VAL CG2 7.000 . 11.000 4.657 3.522 7.207 . 0 0 "[ . 1]" 3
115 1 196 GLN N 1 197 LEU N 7.000 . 11.000 2.632 2.603 2.678 . 0 0 "[ . 1]" 3
116 1 195 LYS N 1 196 GLN N 7.000 . 11.000 2.777 2.704 2.842 . 0 0 "[ . 1]" 3
117 1 195 LYS N 1 197 LEU N 7.000 . 11.000 4.145 4.092 4.245 . 0 0 "[ . 1]" 3
118 1 193 VAL CG2 1 338 VAL CG2 7.000 . 11.000 5.524 4.837 6.459 . 0 0 "[ . 1]" 3
119 1 190 ILE CD1 1 193 VAL CG2 7.000 . 11.000 7.339 5.446 9.350 . 0 0 "[ . 1]" 3
120 1 190 ILE CD1 1 235 ASP N 7.000 . 11.000 9.657 8.858 10.995 . 0 0 "[ . 1]" 3
121 1 185 ILE CD1 1 329 VAL CG2 7.000 . 11.000 5.090 4.259 5.711 . 0 0 "[ . 1]" 3
122 1 185 ILE CD1 1 317 VAL CG2 7.000 . 11.000 5.897 4.437 7.222 . 0 0 "[ . 1]" 3
123 1 185 ILE CD1 1 334 VAL CG2 7.000 . 11.000 5.174 4.541 6.846 . 0 0 "[ . 1]" 3
124 1 185 ILE CD1 1 186 ALA N 7.000 . 11.000 4.810 3.456 5.288 . 0 0 "[ . 1]" 3
125 1 182 ASP N 1 185 ILE N 7.000 . 11.000 6.406 6.203 6.588 . 0 0 "[ . 1]" 3
126 1 180 ALA N 1 181 PHE N 7.000 . 11.000 2.659 2.627 2.718 . 0 0 "[ . 1]" 3
127 1 177 VAL CG2 1 328 VAL CG2 7.000 . 11.000 7.840 6.192 9.270 . 0 0 "[ . 1]" 3
128 1 172 GLY N 1 175 ARG N 7.000 . 11.000 5.344 5.191 5.639 . 0 0 "[ . 1]" 3
129 1 173 LYS N 1 175 ARG N 7.000 . 11.000 4.147 3.999 4.245 . 0 0 "[ . 1]" 3
130 1 174 HIS N 1 175 ARG N 7.000 . 11.000 2.616 2.574 2.662 . 0 0 "[ . 1]" 3
131 1 173 LYS N 1 174 HIS N 7.000 . 11.000 2.600 2.538 2.707 . 0 0 "[ . 1]" 3
132 1 172 GLY N 1 173 LYS N 7.000 . 11.000 3.314 3.105 3.519 . 0 0 "[ . 1]" 3
133 1 171 LEU N 1 172 GLY N 7.000 . 11.000 3.431 3.338 3.526 . 0 0 "[ . 1]" 3
134 1 171 LEU N 1 175 ARG N 7.000 . 11.000 6.458 5.982 7.132 . 0 0 "[ . 1]" 3
135 1 171 LEU CD2 1 177 VAL CG2 7.000 . 11.000 7.688 6.700 8.537 . 0 0 "[ . 1]" 3
136 1 171 LEU CD2 1 328 VAL CG2 7.000 . 11.000 5.301 3.634 6.673 . 0 0 "[ . 1]" 3
137 1 170 ARG N 1 172 GLY N 7.000 . 11.000 6.591 6.330 6.867 . 0 0 "[ . 1]" 3
138 1 170 ARG N 1 171 LEU N 7.000 . 11.000 3.415 3.386 3.471 . 0 0 "[ . 1]" 3
139 1 166 GLY N 1 179 ILE CD1 7.000 . 11.000 4.916 3.821 6.955 . 0 0 "[ . 1]" 3
140 1 165 ASP N 1 179 ILE CD1 7.000 . 11.000 6.332 5.348 9.099 . 0 0 "[ . 1]" 3
141 1 157 LYS N 1 159 GLY N 7.000 . 11.000 5.882 5.754 6.004 . 0 0 "[ . 1]" 3
142 1 158 ILE CD1 1 159 GLY N 7.000 . 11.000 5.424 4.950 5.848 . 0 0 "[ . 1]" 3
143 1 157 LYS N 1 158 ILE N 7.000 . 11.000 3.573 3.542 3.590 . 0 0 "[ . 1]" 3
144 1 155 GLY N 1 156 VAL N 7.000 . 11.000 2.596 2.568 2.683 . 0 0 "[ . 1]" 3
145 1 153 ASP N 1 155 GLY N 7.000 . 11.000 4.045 3.939 4.187 . 0 0 "[ . 1]" 3
146 1 152 GLU N 1 155 GLY N 7.000 . 11.000 4.811 4.661 5.066 . 0 0 "[ . 1]" 3
147 1 150 GLU N 1 152 GLU N 7.000 . 11.000 4.151 4.069 4.226 . 0 0 "[ . 1]" 3
148 1 152 GLU N 1 153 ASP N 7.000 . 11.000 2.709 2.696 2.727 . 0 0 "[ . 1]" 3
149 1 83 GLY N 1 148 LYS N 7.000 . 11.000 3.878 3.517 4.249 . 0 0 "[ . 1]" 3
150 1 148 LYS N 1 150 GLU N 7.000 . 11.000 4.089 3.962 4.190 . 0 0 "[ . 1]" 3
151 1 148 LYS N 1 149 GLU N 7.000 . 11.000 2.711 2.670 2.750 . 0 0 "[ . 1]" 3
152 1 83 GLY N 1 147 SER N 7.000 . 11.000 4.149 3.881 4.649 . 0 0 "[ . 1]" 3
153 1 147 SER N 1 150 GLU N 7.000 . 11.000 4.611 4.509 4.674 . 0 0 "[ . 1]" 3
154 1 147 SER N 1 148 LYS N 7.000 . 11.000 3.576 3.560 3.593 . 0 0 "[ . 1]" 3
155 1 147 SER N 1 149 GLU N 7.000 . 11.000 5.232 5.128 5.348 . 0 0 "[ . 1]" 3
156 1 146 GLU N 1 148 LYS N 7.000 . 11.000 5.916 5.883 5.952 . 0 0 "[ . 1]" 3
157 1 146 GLU N 1 147 SER N 7.000 . 11.000 2.616 2.598 2.634 . 0 0 "[ . 1]" 3
158 1 146 GLU N 1 149 GLU N 7.000 . 11.000 7.377 7.226 7.553 . 0 0 "[ . 1]" 3
159 1 143 ILE CD1 1 155 GLY N 7.000 . 11.000 7.453 5.729 10.406 . 0 0 "[ . 1]" 3
160 1 113 ILE N 1 143 ILE CD1 7.000 . 11.000 8.339 6.383 9.876 . 0 0 "[ . 1]" 3
161 1 107 ILE CD1 1 143 ILE CD1 7.000 . 11.000 7.498 6.416 9.804 . 0 0 "[ . 1]" 3
162 1 141 ILE CD1 1 162 ILE CD1 7.000 . 11.000 5.413 4.464 6.687 . 0 0 "[ . 1]" 3
163 1 110 GLY N 1 113 ILE N 7.000 . 11.000 8.924 8.696 9.030 . 0 0 "[ . 1]" 3
164 1 111 LYS N 1 113 ILE N 7.000 . 11.000 6.899 6.838 6.934 . 0 0 "[ . 1]" 3
165 1 113 ILE CD1 1 143 ILE CD1 7.000 . 11.000 5.618 4.171 7.097 . 0 0 "[ . 1]" 3
166 1 110 GLY N 1 111 LYS N 7.000 . 11.000 2.621 2.605 2.629 . 0 0 "[ . 1]" 3
167 1 109 LYS N 1 110 GLY N 7.000 . 11.000 3.375 3.329 3.416 . 0 0 "[ . 1]" 3
168 1 108 ASP N 1 109 LYS N 7.000 . 11.000 3.569 3.532 3.585 . 0 0 "[ . 1]" 3
169 1 109 LYS N 1 111 LYS N 7.000 . 11.000 4.241 4.157 4.324 . 0 0 "[ . 1]" 3
170 1 108 ASP N 1 110 GLY N 7.000 . 11.000 5.464 5.295 5.642 . 0 0 "[ . 1]" 3
171 1 108 ASP N 1 111 LYS N 7.000 . 11.000 4.437 4.242 4.665 . 0 0 "[ . 1]" 3
172 1 107 ILE CD1 1 113 ILE CD1 7.000 . 11.000 5.091 4.419 6.466 . 0 0 "[ . 1]" 3
173 1 105 VAL CG2 1 141 ILE CD1 7.000 . 11.000 6.397 4.447 9.211 . 0 0 "[ . 1]" 3
174 1 105 VAL CG2 1 143 ILE CD1 7.000 . 11.000 6.767 4.379 7.922 . 0 0 "[ . 1]" 3
175 1 105 VAL CG2 1 162 ILE CD1 7.000 . 11.000 4.606 4.085 5.499 . 0 0 "[ . 1]" 3
176 1 105 VAL CG2 1 113 ILE CD1 7.000 . 11.000 3.997 3.489 4.164 . 0 0 "[ . 1]" 3
177 1 105 VAL CG2 1 113 ILE N 7.000 . 11.000 5.579 3.761 6.109 . 0 0 "[ . 1]" 3
178 1 102 ARG N 1 105 VAL CG2 7.000 . 11.000 10.069 9.478 11.574 0.574 2 1 "[ + . 1]" 3
179 1 100 ALA N 1 101 GLN N 7.000 . 11.000 2.652 2.596 2.789 . 0 0 "[ . 1]" 3
180 1 92 GLY N 1 94 ASP N 7.000 . 11.000 5.709 5.618 5.787 . 0 0 "[ . 1]" 3
181 1 94 ASP N 1 96 LYS N 7.000 . 11.000 5.373 5.297 5.415 . 0 0 "[ . 1]" 3
182 1 91 GLY N 1 93 VAL N 7.000 . 11.000 4.586 4.438 4.731 . 0 0 "[ . 1]" 3
183 1 92 GLY N 1 93 VAL CG2 7.000 . 11.000 5.495 4.517 6.121 . 0 0 "[ . 1]" 3
184 1 91 GLY N 1 92 GLY N 7.000 . 11.000 3.489 3.476 3.506 . 0 0 "[ . 1]" 3
185 1 92 GLY N 1 93 VAL N 7.000 . 11.000 2.468 2.441 2.507 . 0 0 "[ . 1]" 3
186 1 91 GLY N 1 93 VAL CG2 7.000 . 11.000 5.953 4.635 7.026 . 0 0 "[ . 1]" 3
187 1 90 ILE N 1 93 VAL CG2 7.000 . 11.000 5.541 4.561 6.406 . 0 0 "[ . 1]" 3
188 1 90 ILE N 1 92 GLY N 7.000 . 11.000 6.223 6.192 6.273 . 0 0 "[ . 1]" 3
189 1 90 ILE N 1 91 GLY N 7.000 . 11.000 3.534 3.526 3.548 . 0 0 "[ . 1]" 3
190 1 90 ILE N 1 93 VAL N 7.000 . 11.000 5.968 5.836 6.136 . 0 0 "[ . 1]" 3
191 1 87 VAL N 1 141 ILE CD1 7.000 . 11.000 6.508 5.670 7.790 . 0 0 "[ . 1]" 3
192 1 87 VAL N 1 162 ILE CD1 7.000 . 11.000 6.976 5.988 9.138 . 0 0 "[ . 1]" 3
193 1 87 VAL CG2 1 141 ILE CD1 7.000 . 11.000 5.384 4.307 7.754 . 0 0 "[ . 1]" 3
194 1 87 VAL CG2 1 162 ILE CD1 7.000 . 11.000 5.614 3.808 7.288 . 0 0 "[ . 1]" 3
195 1 85 LEU CD2 1 105 VAL CG2 7.000 . 11.000 6.120 4.097 7.231 . 0 0 "[ . 1]" 3
196 1 85 LEU CD2 1 143 ILE CD1 7.000 . 11.000 4.898 3.299 6.561 . 0 0 "[ . 1]" 3
197 1 85 LEU CD2 1 158 ILE N 7.000 . 11.000 7.892 6.753 9.260 . 0 0 "[ . 1]" 3
198 1 85 LEU CD2 1 113 ILE CD1 7.000 . 11.000 7.364 6.459 8.195 . 0 0 "[ . 1]" 3
199 1 80 GLU N 1 84 PHE N 7.000 . 11.000 4.311 4.122 4.439 . 0 0 "[ . 1]" 3
200 1 82 ASN N 1 83 GLY N 7.000 . 11.000 2.607 2.595 2.619 . 0 0 "[ . 1]" 3
201 1 83 GLY N 1 84 PHE N 7.000 . 11.000 2.669 2.629 2.754 . 0 0 "[ . 1]" 3
202 1 81 LYS N 1 83 GLY N 7.000 . 11.000 4.175 4.076 4.251 . 0 0 "[ . 1]" 3
203 1 81 LYS N 1 82 ASN N 7.000 . 11.000 2.646 2.628 2.673 . 0 0 "[ . 1]" 3
204 1 81 LYS N 1 84 PHE N 7.000 . 11.000 5.480 5.219 5.628 . 0 0 "[ . 1]" 3
205 1 81 LYS N 1 148 LYS N 7.000 . 11.000 5.348 4.830 5.920 . 0 0 "[ . 1]" 3
206 1 81 LYS N 1 149 GLU N 7.000 . 11.000 7.498 7.024 7.884 . 0 0 "[ . 1]" 3
207 1 80 GLU N 1 83 GLY N 7.000 . 11.000 4.794 4.602 4.869 . 0 0 "[ . 1]" 3
208 1 80 GLU N 1 81 LYS N 7.000 . 11.000 3.589 3.576 3.603 . 0 0 "[ . 1]" 3
209 1 80 GLU N 1 85 LEU CD2 7.000 . 11.000 6.925 5.882 8.649 . 0 0 "[ . 1]" 3
210 1 79 ILE N 1 87 VAL N 7.000 . 11.000 7.633 7.353 7.948 . 0 0 "[ . 1]" 3
211 1 79 ILE N 1 158 ILE CD1 7.000 . 11.000 5.309 4.598 5.881 . 0 0 "[ . 1]" 3
212 1 79 ILE N 1 85 LEU CD2 7.000 . 11.000 6.223 4.945 7.908 . 0 0 "[ . 1]" 3
213 1 79 ILE N 1 83 GLY N 7.000 . 11.000 7.686 7.340 7.835 . 0 0 "[ . 1]" 3
214 1 79 ILE N 1 158 ILE N 7.000 . 11.000 7.097 6.648 7.473 . 0 0 "[ . 1]" 3
215 1 79 ILE N 1 80 GLU N 7.000 . 11.000 3.414 3.385 3.451 . 0 0 "[ . 1]" 3
216 1 79 ILE CD1 1 158 ILE CD1 7.000 . 11.000 5.554 4.687 6.964 . 0 0 "[ . 1]" 3
217 1 79 ILE CD1 1 85 LEU CD2 7.000 . 11.000 4.255 2.893 5.965 . 0 0 "[ . 1]" 3
218 1 79 ILE CD1 1 155 GLY N 7.000 . 11.000 8.396 7.856 9.074 . 0 0 "[ . 1]" 3
219 1 79 ILE CD1 1 158 ILE N 7.000 . 11.000 5.634 4.937 6.583 . 0 0 "[ . 1]" 3
220 1 79 ILE CD1 1 157 LYS N 7.000 . 11.000 5.419 5.148 5.847 . 0 0 "[ . 1]" 3
221 1 78 HIS N 1 158 ILE CD1 7.000 . 11.000 4.364 3.719 5.145 . 0 0 "[ . 1]" 3
222 1 78 HIS N 1 87 VAL N 7.000 . 11.000 5.467 5.219 5.785 . 0 0 "[ . 1]" 3
223 1 78 HIS N 1 79 ILE N 7.000 . 11.000 3.596 3.556 3.618 . 0 0 "[ . 1]" 3
224 1 78 HIS N 1 159 GLY N 7.000 . 11.000 6.806 6.579 6.983 . 0 0 "[ . 1]" 3
225 1 77 THR N 1 87 VAL N 7.000 . 11.000 4.336 4.181 4.633 . 0 0 "[ . 1]" 3
226 1 77 THR N 1 78 HIS N 7.000 . 11.000 2.650 2.600 2.684 . 0 0 "[ . 1]" 3
227 1 76 VAL CG2 1 157 LYS N 7.000 . 11.000 5.316 4.754 6.592 . 0 0 "[ . 1]" 3
228 1 76 VAL CG2 1 141 ILE CD1 7.000 . 11.000 8.728 5.429 10.708 . 0 0 "[ . 1]" 3
229 1 76 VAL CG2 1 79 ILE CD1 7.000 . 11.000 5.363 4.721 6.604 . 0 0 "[ . 1]" 3
230 1 76 VAL CG2 1 162 ILE CD1 7.000 . 11.000 5.737 4.467 7.376 . 0 0 "[ . 1]" 3
231 1 76 VAL CG2 1 143 ILE CD1 7.000 . 11.000 8.714 7.274 9.392 . 0 0 "[ . 1]" 3
232 1 76 VAL CG2 1 158 ILE N 7.000 . 11.000 4.845 3.849 6.823 . 0 0 "[ . 1]" 3
233 1 76 VAL CG2 1 79 ILE N 7.000 . 11.000 6.862 5.925 7.379 . 0 0 "[ . 1]" 3
234 1 76 VAL CG2 1 158 ILE CD1 7.000 . 11.000 6.215 4.065 8.970 . 0 0 "[ . 1]" 3
235 1 76 VAL CG2 1 159 GLY N 7.000 . 11.000 4.474 3.596 6.217 . 0 0 "[ . 1]" 3
236 1 76 VAL CG2 1 87 VAL CG2 7.000 . 11.000 7.213 5.612 8.116 . 0 0 "[ . 1]" 3
237 1 76 VAL CG2 1 105 VAL CG2 7.000 . 11.000 6.999 5.037 8.244 . 0 0 "[ . 1]" 3
238 1 76 VAL CG2 1 85 LEU CD2 7.000 . 11.000 5.110 4.095 5.738 . 0 0 "[ . 1]" 3
239 1 74 LEU CD2 1 93 VAL CG2 7.000 . 11.000 6.049 4.272 7.766 . 0 0 "[ . 1]" 3
240 1 74 LEU CD2 1 162 ILE CD1 7.000 . 11.000 5.906 4.449 8.239 . 0 0 "[ . 1]" 3
241 1 74 LEU CD2 1 87 VAL CG2 7.000 . 11.000 4.726 3.472 6.128 . 0 0 "[ . 1]" 3
242 1 74 LEU CD2 1 87 VAL N 7.000 . 11.000 7.608 6.313 8.829 . 0 0 "[ . 1]" 3
243 1 74 LEU CD2 1 90 ILE N 7.000 . 11.000 5.904 4.377 7.059 . 0 0 "[ . 1]" 3
244 1 73 GLY N 1 94 ASP N 7.000 . 11.000 8.876 8.487 9.325 . 0 0 "[ . 1]" 3
245 1 73 GLY N 1 74 LEU CD2 7.000 . 11.000 5.870 4.760 7.241 . 0 0 "[ . 1]" 3
246 1 73 GLY N 1 91 GLY N 7.000 . 11.000 6.963 6.738 7.327 . 0 0 "[ . 1]" 3
247 1 73 GLY N 1 90 ILE N 7.000 . 11.000 6.324 5.985 6.717 . 0 0 "[ . 1]" 3
248 1 65 ILE CD1 1 204 VAL CG2 7.000 . 11.000 5.884 4.894 6.616 . 0 0 "[ . 1]" 3
249 1 63 VAL CG2 1 348 ILE CD1 7.000 . 11.000 4.735 4.457 5.066 . 0 0 "[ . 1]" 3
250 1 63 VAL CG2 1 65 ILE CD1 7.000 . 11.000 7.046 6.208 9.313 . 0 0 "[ . 1]" 3
251 1 63 VAL CG2 1 204 VAL CG2 7.000 . 11.000 5.954 4.807 7.296 . 0 0 "[ . 1]" 3
252 1 63 VAL CG2 1 345 LEU CD2 7.000 . 11.000 5.651 4.185 7.222 . 0 0 "[ . 1]" 3
253 1 63 VAL CG2 1 203 ASP N 7.000 . 11.000 5.464 5.162 5.970 . 0 0 "[ . 1]" 3
254 1 62 LYS N 1 229 ASP N 7.000 . 11.000 6.146 5.912 6.503 . 0 0 "[ . 1]" 3
255 1 62 LYS N 1 203 ASP N 7.000 . 11.000 5.092 4.835 5.591 . 0 0 "[ . 1]" 3
256 1 58 GLY N 1 203 ASP N 7.000 . 11.000 5.054 4.541 5.677 . 0 0 "[ . 1]" 3
257 1 57 LYS N 1 58 GLY N 7.000 . 11.000 3.476 3.412 3.500 . 0 0 "[ . 1]" 3
258 1 56 LYS N 1 58 GLY N 7.000 . 11.000 6.210 6.092 6.280 . 0 0 "[ . 1]" 3
259 1 56 LYS N 1 57 LYS N 7.000 . 11.000 3.365 3.248 3.433 . 0 0 "[ . 1]" 3
260 1 41 VAL N 1 55 HIS N 7.000 . 11.000 6.837 6.597 7.005 . 0 0 "[ . 1]" 3
261 1 55 HIS N 1 57 LYS N 7.000 . 11.000 6.384 6.244 6.512 . 0 0 "[ . 1]" 3
262 1 55 HIS N 1 56 LYS N 7.000 . 11.000 3.431 3.368 3.476 . 0 0 "[ . 1]" 3
263 1 53 ILE CD1 1 224 PHE N 7.000 . 11.000 8.017 7.676 8.915 . 0 0 "[ . 1]" 3
264 1 53 ILE CD1 1 225 GLY N 7.000 . 11.000 7.123 6.791 8.318 . 0 0 "[ . 1]" 3
265 1 53 ILE CD1 1 226 ILE CD1 7.000 . 11.000 4.993 4.346 6.681 . 0 0 "[ . 1]" 3
266 1 48 LYS N 1 51 ASN N 7.000 . 11.000 5.366 5.131 6.652 . 0 0 "[ . 1]" 3
267 1 50 GLY N 1 51 ASN N 7.000 . 11.000 2.643 2.532 3.543 . 0 0 "[ . 1]" 3
268 1 46 VAL N 1 50 GLY N 7.000 . 11.000 7.523 7.362 7.678 . 0 0 "[ . 1]" 3
269 1 48 LYS N 1 50 GLY N 7.000 . 11.000 4.101 3.996 4.184 . 0 0 "[ . 1]" 3
270 1 47 ASP N 1 53 ILE CD1 7.000 . 11.000 5.365 4.064 6.336 . 0 0 "[ . 1]" 3
271 1 47 ASP N 1 50 GLY N 7.000 . 11.000 4.589 4.380 4.702 . 0 0 "[ . 1]" 3
272 1 47 ASP N 1 48 LYS N 7.000 . 11.000 3.594 3.587 3.598 . 0 0 "[ . 1]" 3
273 1 47 ASP N 1 51 ASN N 7.000 . 11.000 4.233 4.085 4.875 . 0 0 "[ . 1]" 3
274 1 45 LYS N 1 46 VAL N 7.000 . 11.000 3.534 3.514 3.553 . 0 0 "[ . 1]" 3
275 1 46 VAL N 1 53 ILE CD1 7.000 . 11.000 6.322 4.951 7.344 . 0 0 "[ . 1]" 3
276 1 46 VAL N 1 48 LYS N 7.000 . 11.000 6.563 6.492 6.663 . 0 0 "[ . 1]" 3
277 1 46 VAL N 1 47 ASP N 7.000 . 11.000 3.426 3.389 3.451 . 0 0 "[ . 1]" 3
278 1 43 GLU N 1 44 VAL N 7.000 . 11.000 3.544 3.468 3.591 . 0 0 "[ . 1]" 3
279 1 44 VAL N 1 45 LYS N 7.000 . 11.000 3.438 3.389 3.480 . 0 0 "[ . 1]" 3
280 1 44 VAL N 1 56 LYS N 7.000 . 11.000 7.842 7.559 8.114 . 0 0 "[ . 1]" 3
281 1 44 VAL CG2 1 45 LYS N 7.000 . 11.000 3.904 3.072 4.681 . 0 0 "[ . 1]" 3
282 1 44 VAL CG2 1 47 ASP N 7.000 . 11.000 9.116 7.672 10.511 . 0 0 "[ . 1]" 3
283 1 44 VAL CG2 1 56 LYS N 7.000 . 11.000 9.196 8.288 10.249 . 0 0 "[ . 1]" 3
284 1 43 GLU N 1 55 HIS N 7.000 . 11.000 4.619 4.331 4.974 . 0 0 "[ . 1]" 3
285 1 43 GLU N 1 57 LYS N 7.000 . 11.000 6.757 6.322 7.122 . 0 0 "[ . 1]" 3
286 1 43 GLU N 1 56 LYS N 7.000 . 11.000 5.817 5.416 6.141 . 0 0 "[ . 1]" 3
287 1 42 ASP N 1 43 GLU N 7.000 . 11.000 2.708 2.653 2.733 . 0 0 "[ . 1]" 3
288 1 42 ASP N 1 44 VAL N 7.000 . 11.000 5.857 5.637 6.015 . 0 0 "[ . 1]" 3
289 1 42 ASP N 1 55 HIS N 7.000 . 11.000 5.353 5.159 5.748 . 0 0 "[ . 1]" 3
290 1 42 ASP N 1 57 LYS N 7.000 . 11.000 5.565 5.261 5.856 . 0 0 "[ . 1]" 3
291 1 42 ASP N 1 56 LYS N 7.000 . 11.000 5.182 4.890 5.567 . 0 0 "[ . 1]" 3
292 1 41 VAL N 1 56 LYS N 7.000 . 11.000 7.014 6.661 7.318 . 0 0 "[ . 1]" 3
293 1 41 VAL N 1 43 GLU N 7.000 . 11.000 5.413 5.157 5.622 . 0 0 "[ . 1]" 3
294 1 38 LYS N 1 41 VAL N 7.000 . 11.000 4.853 4.697 5.038 . 0 0 "[ . 1]" 3
295 1 41 VAL N 1 44 VAL N 7.000 . 11.000 7.165 6.855 7.377 . 0 0 "[ . 1]" 3
296 1 41 VAL CG2 1 44 VAL CG2 7.000 . 11.000 5.667 4.993 7.377 . 0 0 "[ . 1]" 3
297 1 41 VAL CG2 1 43 GLU N 7.000 . 11.000 4.561 3.502 5.696 . 0 0 "[ . 1]" 3
298 1 41 VAL CG2 1 42 ASP N 7.000 . 11.000 3.853 3.038 4.494 . 0 0 "[ . 1]" 3
299 1 41 VAL CG2 1 55 HIS N 7.000 . 11.000 4.457 3.046 4.978 . 0 0 "[ . 1]" 3
300 1 41 VAL CG2 1 57 LYS N 7.000 . 11.000 7.530 6.127 8.353 . 0 0 "[ . 1]" 3
301 1 41 VAL CG2 1 56 LYS N 7.000 . 11.000 5.474 3.868 6.347 . 0 0 "[ . 1]" 3
302 1 40 TYR N 1 41 VAL CG2 7.000 . 11.000 5.138 4.720 6.303 . 0 0 "[ . 1]" 3
303 1 40 TYR N 1 41 VAL N 7.000 . 11.000 2.656 2.639 2.667 . 0 0 "[ . 1]" 3
304 1 36 GLU N 1 40 TYR N 7.000 . 11.000 7.261 7.082 7.516 . 0 0 "[ . 1]" 3
305 1 40 TYR N 1 42 ASP N 7.000 . 11.000 6.025 5.970 6.072 . 0 0 "[ . 1]" 3
306 1 38 LYS N 1 40 TYR N 7.000 . 11.000 4.321 4.198 4.449 . 0 0 "[ . 1]" 3
307 1 39 ASP N 1 41 VAL N 7.000 . 11.000 4.298 4.213 4.425 . 0 0 "[ . 1]" 3
308 1 39 ASP N 1 40 TYR N 7.000 . 11.000 2.727 2.670 2.789 . 0 0 "[ . 1]" 3
309 1 38 LYS N 1 41 VAL CG2 7.000 . 11.000 5.063 3.725 6.465 . 0 0 "[ . 1]" 3
310 1 36 GLU N 1 38 LYS N 7.000 . 11.000 4.320 4.247 4.395 . 0 0 "[ . 1]" 3
311 1 36 GLU N 1 39 ASP N 7.000 . 11.000 5.553 5.231 5.773 . 0 0 "[ . 1]" 3
312 1 32 VAL CG2 1 33 VAL CG2 7.000 . 11.000 6.668 4.783 8.102 . 0 0 "[ . 1]" 3
313 1 29 ILE CD1 1 33 VAL CG2 7.000 . 11.000 6.155 5.068 7.890 . 0 0 "[ . 1]" 3
314 1 29 ILE CD1 1 32 VAL CG2 7.000 . 11.000 6.554 5.238 7.693 . 0 0 "[ . 1]" 3
315 1 29 ILE N 1 32 VAL CG2 7.000 . 11.000 4.862 4.083 6.735 . 0 0 "[ . 1]" 3
316 1 28 GLY N 1 29 ILE N 7.000 . 11.000 2.659 2.628 2.707 . 0 0 "[ . 1]" 3
317 1 28 GLY N 1 32 VAL CG2 7.000 . 11.000 6.790 6.094 8.763 . 0 0 "[ . 1]" 3
318 1 26 PHE N 1 28 GLY N 7.000 . 11.000 4.472 4.448 4.504 . 0 0 "[ . 1]" 3
319 1 27 LEU CD2 1 161 VAL CG2 7.000 . 11.000 11.133 10.710 11.400 0.400 6 0 "[ . 1]" 3
320 1 27 LEU N 1 28 GLY N 7.000 . 11.000 2.671 2.657 2.686 . 0 0 "[ . 1]" 3
321 1 26 PHE N 1 27 LEU N 7.000 . 11.000 2.456 2.441 2.467 . 0 0 "[ . 1]" 3
322 1 24 TYR N 1 27 LEU N 7.000 . 11.000 4.094 3.962 4.246 . 0 0 "[ . 1]" 3
323 1 25 GLU N 1 26 PHE N 7.000 . 11.000 2.550 2.534 2.567 . 0 0 "[ . 1]" 3
324 1 25 GLU N 1 28 GLY N 7.000 . 11.000 6.033 5.995 6.089 . 0 0 "[ . 1]" 3
325 1 24 TYR N 1 26 PHE N 7.000 . 11.000 4.527 4.510 4.588 . 0 0 "[ . 1]" 3
326 1 24 TYR N 1 25 GLU N 7.000 . 11.000 3.573 3.569 3.579 . 0 0 "[ . 1]" 3
327 1 23 GLY N 1 24 TYR N 7.000 . 11.000 2.549 2.535 2.560 . 0 0 "[ . 1]" 3
328 1 23 GLY N 1 25 GLU N 7.000 . 11.000 5.757 5.728 5.809 . 0 0 "[ . 1]" 3
329 1 20 GLY N 1 21 VAL N 7.000 . 11.000 3.509 3.193 3.628 . 0 0 "[ . 1]" 3
330 1 20 GLY N 1 25 GLU N 7.000 . 11.000 8.274 7.855 8.603 . 0 0 "[ . 1]" 3
331 1 18 ALA N 1 29 ILE CD1 7.000 . 11.000 5.386 4.912 5.698 . 0 0 "[ . 1]" 3
332 1 18 ALA N 1 32 VAL CG2 7.000 . 11.000 6.426 5.905 7.397 . 0 0 "[ . 1]" 3
333 1 17 GLU N 1 18 ALA N 7.000 . 11.000 2.677 2.636 2.727 . 0 0 "[ . 1]" 3
334 1 16 VAL CG2 1 18 ALA N 7.000 . 11.000 6.492 5.625 6.831 . 0 0 "[ . 1]" 3
335 1 16 VAL CG2 1 168 LEU N 7.000 . 11.000 6.565 5.128 7.221 . 0 0 "[ . 1]" 3
336 1 16 VAL CG2 1 186 ALA N 7.000 . 11.000 9.120 7.862 10.935 . 0 0 "[ . 1]" 3
337 1 16 VAL CG2 1 17 GLU N 7.000 . 11.000 4.294 2.962 4.590 . 0 0 "[ . 1]" 3
338 1 15 VAL CG2 1 16 VAL CG2 7.000 . 11.000 6.316 5.619 6.961 . 0 0 "[ . 1]" 3
339 1 15 VAL CG2 1 18 ALA N 7.000 . 11.000 6.877 6.664 7.113 . 0 0 "[ . 1]" 3
340 1 14 LYS N 1 15 VAL CG2 7.000 . 11.000 5.204 4.818 5.427 . 0 0 "[ . 1]" 3
341 1 14 LYS N 1 18 ALA N 7.000 . 11.000 6.010 5.782 6.334 . 0 0 "[ . 1]" 3
342 1 14 LYS N 1 168 LEU N 7.000 . 11.000 8.534 8.218 9.074 . 0 0 "[ . 1]" 3
343 1 12 LEU CD2 1 185 ILE CD1 7.000 . 11.000 5.041 3.997 7.422 . 0 0 "[ . 1]" 3
344 1 12 LEU CD2 1 16 VAL CG2 7.000 . 11.000 5.666 4.523 7.314 . 0 0 "[ . 1]" 3
345 1 12 LEU CD2 1 334 VAL CG2 7.000 . 11.000 6.225 5.276 7.373 . 0 0 "[ . 1]" 3
346 1 12 LEU CD2 1 17 GLU N 7.000 . 11.000 8.902 8.308 9.956 . 0 0 "[ . 1]" 3
347 1 12 LEU CD2 1 14 LYS N 7.000 . 11.000 7.557 7.354 8.168 . 0 0 "[ . 1]" 3
348 1 12 LEU CD2 1 181 PHE N 7.000 . 11.000 7.313 6.229 8.271 . 0 0 "[ . 1]" 3
349 1 12 LEU CD2 1 168 LEU N 7.000 . 11.000 9.735 7.966 10.944 . 0 0 "[ . 1]" 3
350 1 7 VAL CG2 1 185 ILE CD1 7.000 . 11.000 7.295 5.990 8.346 . 0 0 "[ . 1]" 3
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