NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570155 |
2mb7   |
19391 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb7
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 695
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 725.003
_Distance_constraint_stats_list.Viol_max 0.477
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.1004
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 0.400 0.161 12 0 "[ . 1 . 2]"
1 4 GLU 1.471 0.303 17 0 "[ . 1 . 2]"
1 5 ARG 1.304 0.477 16 0 "[ . 1 . 2]"
1 6 LYS 4.074 0.477 16 0 "[ . 1 . 2]"
1 7 ARG 0.088 0.088 11 0 "[ . 1 . 2]"
1 8 TRP 1.777 0.467 9 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.064 0.064 20 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 1.382 0.242 14 0 "[ . 1 . 2]"
1 13 LEU 2.671 0.367 17 0 "[ . 1 . 2]"
1 14 PRO 0.349 0.097 20 0 "[ . 1 . 2]"
1 15 GLN 0.488 0.209 4 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 1.653 0.209 4 0 "[ . 1 . 2]"
1 18 GLU 4.615 0.388 11 0 "[ . 1 . 2]"
1 19 ARG 0.201 0.201 16 0 "[ . 1 . 2]"
1 20 GLU 0.243 0.131 17 0 "[ . 1 . 2]"
1 21 GLU 2.086 0.467 9 0 "[ . 1 . 2]"
1 22 VAL 4.685 0.385 1 0 "[ . 1 . 2]"
1 23 PRO 0.854 0.303 17 0 "[ . 1 . 2]"
1 24 ARG 0.739 0.224 2 0 "[ . 1 . 2]"
1 25 ARG 1.869 0.380 19 0 "[ . 1 . 2]"
1 26 SER 2.032 0.380 19 0 "[ . 1 . 2]"
1 27 GLY 0.004 0.004 12 0 "[ . 1 . 2]"
1 28 LEU 0.096 0.044 18 0 "[ . 1 . 2]"
1 29 SER 0.039 0.019 8 0 "[ . 1 . 2]"
1 30 ALA 0.143 0.077 4 0 "[ . 1 . 2]"
1 31 GLY 0.290 0.157 13 0 "[ . 1 . 2]"
1 32 HIS 0.399 0.224 2 0 "[ . 1 . 2]"
1 33 ARG 0.511 0.257 10 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.546 0.131 17 0 "[ . 1 . 2]"
1 36 PHE 4.790 0.385 1 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 2.515 0.388 11 0 "[ . 1 . 2]"
1 39 SER 0.480 0.151 13 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 4.926 0.295 5 0 "[ . 1 . 2]"
1 44 LYS 0.622 0.154 7 0 "[ . 1 . 2]"
1 45 PHE 5.524 0.295 5 0 "[ . 1 . 2]"
1 46 ARG 0.232 0.129 7 0 "[ . 1 . 2]"
1 47 SER 0.052 0.038 11 0 "[ . 1 . 2]"
1 48 LYS 0.069 0.048 7 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.194 0.129 7 0 "[ . 1 . 2]"
1 51 LEU 0.480 0.181 15 0 "[ . 1 . 2]"
1 52 ALA 0.524 0.101 10 0 "[ . 1 . 2]"
1 53 ARG 0.608 0.256 18 0 "[ . 1 . 2]"
1 54 TYR 0.506 0.181 15 0 "[ . 1 . 2]"
1 55 LEU 0.854 0.205 4 0 "[ . 1 . 2]"
1 56 GLY 0.334 0.256 18 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.809 0.094 5 0 "[ . 1 . 2]"
1 59 MET 1.328 0.205 4 0 "[ . 1 . 2]"
1 60 ASP 0.213 0.096 9 0 "[ . 1 . 2]"
1 61 LEU 2.646 0.208 12 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 1.029 0.208 12 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.014 0.014 11 0 "[ . 1 . 2]"
1 67 ARG 0.230 0.097 1 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.161 0.094 15 0 "[ . 1 . 2]"
1 71 MET 3.469 0.242 14 0 "[ . 1 . 2]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 MET H 4.000 . 5.000 2.756 2.197 3.587 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 3 MET H 4.000 . 6.500 3.217 1.989 4.019 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET QG 4.000 . 6.500 2.733 1.639 4.090 0.161 12 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 4 GLU H 4.000 . 6.500 4.213 2.805 4.704 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 4 GLU HA 2.500 . 2.700 2.294 2.088 2.702 0.002 9 0 "[ . 1 . 2]" 1
6 1 2 SER QB 1 4 GLU H 4.000 . 6.500 5.413 3.816 6.257 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET HA 1 4 GLU H 2.500 . 2.900 2.421 2.189 3.036 0.136 15 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 4 GLU QB 3.500 . 4.000 2.640 2.357 3.231 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU QB 2.500 . 2.900 2.635 2.356 3.203 0.303 17 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 4 GLU QG 3.500 . 4.000 2.816 1.803 4.125 0.125 16 0 "[ . 1 . 2]" 1
11 1 5 ARG HA 1 5 ARG QD 4.000 . 6.000 3.840 2.278 4.514 . 0 0 "[ . 1 . 2]" 1
12 1 5 ARG QB 1 22 VAL MG1 4.000 . 6.000 3.742 2.474 4.757 . 0 0 "[ . 1 . 2]" 1
13 1 5 ARG QG 1 22 VAL MG1 4.000 . 6.000 3.478 2.073 5.390 . 0 0 "[ . 1 . 2]" 1
14 1 5 ARG H 1 5 ARG QG 4.000 . 5.000 2.924 1.832 4.270 . 0 0 "[ . 1 . 2]" 1
15 1 5 ARG H 1 5 ARG QG 4.000 . 6.000 2.578 1.829 3.618 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLU HA 1 5 ARG H 2.500 . 2.900 2.503 2.195 3.145 0.245 18 0 "[ . 1 . 2]" 1
17 1 4 GLU QG 1 5 ARG H 4.000 . 5.000 3.900 2.612 4.740 . 0 0 "[ . 1 . 2]" 1
18 1 5 ARG H 1 5 ARG QD 4.000 . 6.500 4.064 1.923 5.267 . 0 0 "[ . 1 . 2]" 1
19 1 5 ARG H 1 5 ARG QG 3.500 . 4.000 2.879 1.832 4.064 0.064 3 0 "[ . 1 . 2]" 1
20 1 6 LYS HA 1 7 ARG H 2.500 . 2.900 2.296 2.192 2.502 . 0 0 "[ . 1 . 2]" 1
21 1 6 LYS QB 1 21 GLU QB 4.000 . 6.000 2.930 2.026 4.306 . 0 0 "[ . 1 . 2]" 1
22 1 6 LYS QB 1 21 GLU QG 4.000 . 6.000 4.565 3.831 5.801 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS QB 1 6 LYS QE 4.000 . 6.000 3.336 2.095 3.844 . 0 0 "[ . 1 . 2]" 1
24 1 6 LYS HA 1 6 LYS QD 4.000 . 5.000 3.432 2.132 4.211 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS QD 1 7 ARG H 4.000 . 6.000 4.954 3.917 5.784 . 0 0 "[ . 1 . 2]" 1
26 1 6 LYS QD 1 8 TRP HH2 4.000 . 6.000 3.716 2.262 4.776 . 0 0 "[ . 1 . 2]" 1
27 1 6 LYS QD 1 8 TRP HZ2 4.000 . 6.000 4.138 2.247 5.959 . 0 0 "[ . 1 . 2]" 1
28 1 6 LYS H 1 6 LYS QG 4.000 . 5.000 2.394 1.638 3.270 0.162 12 0 "[ . 1 . 2]" 1
29 1 6 LYS QG 1 7 ARG H 4.000 . 6.000 4.264 3.720 4.923 . 0 0 "[ . 1 . 2]" 1
30 1 6 LYS H 1 20 GLU HA 4.000 . 6.500 4.674 4.223 5.359 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU QB 1 6 LYS H 4.000 . 6.500 5.685 4.893 6.604 0.104 15 0 "[ . 1 . 2]" 1
32 1 5 ARG HA 1 6 LYS H 2.500 . 2.900 2.326 2.196 3.377 0.477 16 0 "[ . 1 . 2]" 1
33 1 5 ARG QB 1 6 LYS H 4.000 . 5.000 3.226 1.708 4.015 0.092 16 0 "[ . 1 . 2]" 1
34 1 5 ARG QG 1 6 LYS H 4.000 . 6.500 3.797 1.972 4.452 . 0 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QD 2.500 . 2.900 2.536 1.769 3.227 0.327 6 0 "[ . 1 . 2]" 1
36 1 7 ARG HA 1 20 GLU HA 4.000 . 6.000 2.280 2.047 2.688 . 0 0 "[ . 1 . 2]" 1
37 1 7 ARG HA 1 8 TRP H 4.000 . 6.000 2.276 2.191 2.480 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG QB 1 18 GLU QB 4.000 . 6.000 4.301 2.964 5.581 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HA 1 7 ARG H 4.000 . 6.500 5.970 5.370 6.470 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG QB 1 7 ARG H 4.000 . 6.500 5.260 4.215 6.288 . 0 0 "[ . 1 . 2]" 1
41 1 6 LYS QB 1 7 ARG H 3.500 . 4.000 3.114 2.319 3.707 . 0 0 "[ . 1 . 2]" 1
42 1 6 LYS H 1 7 ARG H 4.000 . 5.000 4.407 4.120 4.677 . 0 0 "[ . 1 . 2]" 1
43 1 7 ARG H 1 7 ARG QD 4.000 . 6.500 4.417 3.669 5.277 . 0 0 "[ . 1 . 2]" 1
44 1 7 ARG H 1 7 ARG QG 4.000 . 6.500 3.193 1.712 4.167 0.088 11 0 "[ . 1 . 2]" 1
45 1 7 ARG H 1 8 TRP H 4.000 . 6.500 4.331 3.535 4.660 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HA 1 9 GLU QB 4.000 . 6.000 4.377 4.105 4.712 . 0 0 "[ . 1 . 2]" 1
47 1 8 TRP HA 1 9 GLU H 3.500 . 4.000 2.300 2.192 2.562 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP QB 1 9 GLU H 4.000 . 6.000 2.918 2.218 3.418 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HA 1 8 TRP HE1 4.000 . 6.500 5.807 3.667 6.615 0.115 4 0 "[ . 1 . 2]" 1
50 1 6 LYS QB 1 8 TRP HE1 4.000 . 5.000 3.863 2.355 5.092 0.092 17 0 "[ . 1 . 2]" 1
51 1 6 LYS QG 1 8 TRP HE1 4.000 . 6.500 5.285 3.372 6.430 . 0 0 "[ . 1 . 2]" 1
52 1 8 TRP HA 1 8 TRP HE1 4.000 . 6.500 5.192 4.386 6.099 . 0 0 "[ . 1 . 2]" 1
53 1 8 TRP HA 1 8 TRP HE3 4.000 . 6.000 4.509 2.263 5.265 . 0 0 "[ . 1 . 2]" 1
54 1 8 TRP H 1 8 TRP HE3 4.000 . 6.000 4.607 3.697 5.492 . 0 0 "[ . 1 . 2]" 1
55 1 8 TRP H 1 18 GLU HA 4.000 . 6.500 3.323 2.671 3.684 . 0 0 "[ . 1 . 2]" 1
56 1 8 TRP H 1 18 GLU QB 4.000 . 6.500 4.375 3.505 5.057 . 0 0 "[ . 1 . 2]" 1
57 1 7 ARG QG 1 8 TRP H 4.000 . 6.500 3.605 2.313 4.319 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG QG 1 8 TRP HZ2 4.000 . 5.000 2.793 2.057 3.594 . 0 0 "[ . 1 . 2]" 1
59 1 9 GLU HA 1 18 GLU QB 4.000 . 6.000 4.173 2.990 5.404 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLU HA 1 18 GLU QG 4.000 . 6.000 3.488 2.209 5.725 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLU QB 1 10 CYS H 4.000 . 5.000 3.219 2.760 3.876 . 0 0 "[ . 1 . 2]" 1
62 1 10 CYS HA 1 11 PRO QD 4.000 . 6.000 1.947 1.892 2.127 . 0 0 "[ . 1 . 2]" 1
63 1 9 GLU QB 1 10 CYS HA 4.000 . 6.000 3.506 3.424 3.637 . 0 0 "[ . 1 . 2]" 1
64 1 10 CYS QB 1 13 LEU HG 4.000 . 6.000 4.100 2.228 6.064 0.064 20 0 "[ . 1 . 2]" 1
65 1 9 GLU HA 1 10 CYS H 3.500 . 4.000 2.258 2.190 2.351 . 0 0 "[ . 1 . 2]" 1
66 1 9 GLU QG 1 10 CYS H 4.000 . 6.500 3.458 1.881 4.834 . 0 0 "[ . 1 . 2]" 1
67 1 9 GLU H 1 10 CYS H 4.000 . 6.500 4.588 4.367 4.684 . 0 0 "[ . 1 . 2]" 1
68 1 12 ALA HA 1 13 LEU H 4.000 . 6.000 3.486 3.339 3.555 . 0 0 "[ . 1 . 2]" 1
69 1 11 PRO HA 1 12 ALA MB 4.000 . 6.000 4.994 4.761 5.055 . 0 0 "[ . 1 . 2]" 1
70 1 12 ALA MB 1 70 LYS HA 4.000 . 5.000 3.879 2.365 5.094 0.094 15 0 "[ . 1 . 2]" 1
71 1 12 ALA MB 1 71 MET H 4.000 . 5.000 3.169 1.999 4.228 . 0 0 "[ . 1 . 2]" 1
72 1 10 CYS HA 1 12 ALA H 4.000 . 6.500 3.762 3.383 4.494 . 0 0 "[ . 1 . 2]" 1
73 1 11 PRO HA 1 12 ALA H 4.000 . 6.500 3.503 3.427 3.591 . 0 0 "[ . 1 . 2]" 1
74 1 11 PRO QB 1 12 ALA H 4.000 . 6.500 3.120 2.567 3.546 . 0 0 "[ . 1 . 2]" 1
75 1 11 PRO QD 1 12 ALA H 4.000 . 6.500 2.716 2.398 2.941 . 0 0 "[ . 1 . 2]" 1
76 1 11 PRO QB 1 12 ALA H 4.000 . 5.000 2.655 1.844 2.871 . 0 0 "[ . 1 . 2]" 1
77 1 12 ALA H 1 13 LEU H 4.000 . 5.000 2.519 1.939 2.752 . 0 0 "[ . 1 . 2]" 1
78 1 12 ALA H 1 71 MET HA 4.000 . 6.500 6.498 5.827 6.742 0.242 14 0 "[ . 1 . 2]" 1
79 1 13 LEU HA 1 13 LEU QD 4.000 . 5.000 2.095 1.857 2.428 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU HA 1 14 PRO QD 4.000 . 6.000 1.989 1.893 2.146 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU HA 1 14 PRO QB 4.000 . 6.000 1.987 1.892 2.143 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU QD 1 14 PRO QD 4.000 . 6.000 2.734 1.969 3.332 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU QD 1 51 LEU QD 3.500 . 3.800 2.492 1.889 3.398 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU HG 1 14 PRO QD 4.000 . 6.000 3.423 2.201 4.560 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU HG 1 17 TRP QB 4.000 . 6.000 3.342 2.162 4.063 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU HG 1 55 LEU QD 4.000 . 5.000 3.459 2.203 4.664 . 0 0 "[ . 1 . 2]" 1
87 1 10 CYS QB 1 13 LEU H 4.000 . 6.500 3.054 2.529 4.004 . 0 0 "[ . 1 . 2]" 1
88 1 11 PRO HA 1 13 LEU H 4.000 . 6.500 4.065 3.719 5.096 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU H 1 13 LEU QD 4.000 . 6.000 2.193 1.793 2.781 0.007 11 0 "[ . 1 . 2]" 1
90 1 13 LEU H 1 13 LEU HG 4.000 . 6.000 3.781 1.715 4.349 0.085 16 0 "[ . 1 . 2]" 1
91 1 13 LEU H 1 14 PRO QD 4.000 . 6.500 4.349 4.054 4.394 . 0 0 "[ . 1 . 2]" 1
92 1 13 LEU H 1 59 MET ME 4.000 . 6.500 5.035 4.246 5.776 . 0 0 "[ . 1 . 2]" 1
93 1 14 PRO QD 1 55 LEU QD 4.000 . 6.000 2.513 1.852 4.814 . 0 0 "[ . 1 . 2]" 1
94 1 14 PRO QG 1 55 LEU QD 4.000 . 6.000 2.416 1.858 5.085 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLN QB 1 16 GLY H 4.000 . 5.000 3.391 3.158 3.811 . 0 0 "[ . 1 . 2]" 1
96 1 15 GLN QG 1 16 GLY H 4.000 . 5.000 4.117 2.729 4.725 . 0 0 "[ . 1 . 2]" 1
97 1 14 PRO HA 1 15 GLN H 2.500 . 2.900 2.292 2.246 2.387 . 0 0 "[ . 1 . 2]" 1
98 1 14 PRO QB 1 15 GLN H 3.500 . 4.000 2.196 1.744 3.025 0.056 10 0 "[ . 1 . 2]" 1
99 1 14 PRO QG 1 15 GLN H 4.000 . 5.000 4.593 4.424 4.685 . 0 0 "[ . 1 . 2]" 1
100 1 15 GLN H 1 15 GLN QB 2.500 . 2.900 2.483 2.178 2.798 . 0 0 "[ . 1 . 2]" 1
101 1 15 GLN H 1 16 GLY H 4.000 . 6.500 4.558 4.391 4.615 . 0 0 "[ . 1 . 2]" 1
102 1 15 GLN H 1 17 TRP HD1 4.000 . 6.500 4.936 4.454 5.420 . 0 0 "[ . 1 . 2]" 1
103 1 15 GLN H 1 17 TRP HE1 4.000 . 6.500 6.341 5.734 6.709 0.209 4 0 "[ . 1 . 2]" 1
104 1 15 GLN H 1 17 TRP H 4.000 . 6.500 4.935 4.677 5.037 . 0 0 "[ . 1 . 2]" 1
105 1 15 GLN HA 1 16 GLY H 2.500 . 2.900 2.199 2.189 2.215 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLY H 1 17 TRP HA 4.000 . 6.500 4.847 4.787 4.957 . 0 0 "[ . 1 . 2]" 1
107 1 16 GLY H 1 17 TRP QB 4.000 . 6.500 4.351 4.206 4.523 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU QB 1 17 TRP QB 4.000 . 6.000 2.080 1.906 2.253 . 0 0 "[ . 1 . 2]" 1
109 1 14 PRO QB 1 17 TRP HD1 4.000 . 6.000 2.925 2.224 3.769 . 0 0 "[ . 1 . 2]" 1
110 1 14 PRO QD 1 17 TRP HD1 4.000 . 6.000 3.693 3.311 4.641 . 0 0 "[ . 1 . 2]" 1
111 1 14 PRO QB 1 17 TRP HD1 4.000 . 6.000 2.793 2.201 3.439 . 0 0 "[ . 1 . 2]" 1
112 1 17 TRP HH2 1 54 TYR QD 4.000 . 5.000 2.490 2.234 2.978 . 0 0 "[ . 1 . 2]" 1
113 1 10 CYS H 1 17 TRP H 4.000 . 6.500 4.637 4.199 4.871 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU QB 1 17 TRP H 4.000 . 6.500 3.918 3.600 4.062 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU QD 1 17 TRP H 4.000 . 6.500 4.956 4.445 5.474 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU HG 1 17 TRP H 4.000 . 6.500 6.109 5.026 6.661 0.161 14 0 "[ . 1 . 2]" 1
117 1 14 PRO QB 1 17 TRP H 4.000 . 6.500 4.277 3.652 4.824 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLN HA 1 17 TRP H 4.000 . 5.000 3.595 3.441 3.824 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLY QA 1 17 TRP H 4.000 . 6.000 2.856 2.769 2.892 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLY H 1 17 TRP H 4.000 . 5.000 2.394 2.269 2.652 . 0 0 "[ . 1 . 2]" 1
121 1 17 TRP H 1 17 TRP HD1 4.000 . 5.000 2.109 1.769 2.267 0.031 14 0 "[ . 1 . 2]" 1
122 1 17 TRP H 1 17 TRP HE1 4.000 . 6.500 4.649 4.232 4.809 . 0 0 "[ . 1 . 2]" 1
123 1 17 TRP HZ2 1 39 SER QB 4.000 . 6.000 3.404 2.966 4.463 . 0 0 "[ . 1 . 2]" 1
124 1 17 TRP HZ2 1 51 LEU QD 4.000 . 6.000 2.559 2.089 4.029 . 0 0 "[ . 1 . 2]" 1
125 1 17 TRP HZ2 1 55 LEU QD 4.000 . 5.000 2.596 2.096 4.634 . 0 0 "[ . 1 . 2]" 1
126 1 10 CYS H 1 18 GLU HA 4.000 . 6.000 3.501 2.250 5.027 . 0 0 "[ . 1 . 2]" 1
127 1 9 GLU HA 1 18 GLU HA 4.000 . 6.000 3.095 2.350 4.556 . 0 0 "[ . 1 . 2]" 1
128 1 18 GLU QB 1 19 ARG H 4.000 . 6.000 2.690 2.423 3.476 . 0 0 "[ . 1 . 2]" 1
129 1 18 GLU QB 1 38 TYR QD 4.000 . 5.000 3.365 2.634 3.800 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HG 1 18 GLU H 4.000 . 6.500 6.265 4.441 6.867 0.367 17 0 "[ . 1 . 2]" 1
131 1 17 TRP HA 1 18 GLU H 4.000 . 5.000 2.291 2.229 2.360 . 0 0 "[ . 1 . 2]" 1
132 1 17 TRP QB 1 18 GLU H 4.000 . 6.500 2.851 2.645 3.073 . 0 0 "[ . 1 . 2]" 1
133 1 17 TRP HD1 1 18 GLU H 4.000 . 6.500 5.532 5.241 5.742 . 0 0 "[ . 1 . 2]" 1
134 1 17 TRP HE3 1 18 GLU H 4.000 . 6.500 4.326 4.012 4.658 . 0 0 "[ . 1 . 2]" 1
135 1 17 TRP H 1 18 GLU H 4.000 . 6.500 4.625 4.581 4.669 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU H 1 19 ARG HA 4.000 . 6.500 4.748 4.673 4.853 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLU H 1 19 ARG H 4.000 . 6.500 4.440 4.419 4.473 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU H 1 37 TYR HA 4.000 . 6.500 4.334 4.159 4.688 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU H 1 38 TYR QD 4.000 . 6.500 4.477 3.895 5.018 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU H 1 38 TYR H 4.000 . 6.500 2.983 2.720 3.466 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLU H 1 39 SER HA 4.000 . 6.500 3.939 3.468 4.286 . 0 0 "[ . 1 . 2]" 1
142 1 19 ARG HA 1 37 TYR HA 4.000 . 6.000 2.391 2.231 2.654 . 0 0 "[ . 1 . 2]" 1
143 1 19 ARG QG 1 35 VAL MG1 4.000 . 6.000 3.381 2.056 5.357 . 0 0 "[ . 1 . 2]" 1
144 1 10 CYS H 1 19 ARG H 4.000 . 6.500 4.423 3.443 5.228 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLU HA 1 19 ARG H 4.000 . 6.000 2.360 2.279 2.452 . 0 0 "[ . 1 . 2]" 1
146 1 19 ARG H 1 19 ARG QD 4.000 . 6.500 4.085 1.599 5.082 0.201 16 0 "[ . 1 . 2]" 1
147 1 19 ARG H 1 19 ARG QG 4.000 . 6.500 3.028 1.946 4.086 . 0 0 "[ . 1 . 2]" 1
148 1 19 ARG H 1 20 GLU H 4.000 . 6.500 4.146 4.040 4.249 . 0 0 "[ . 1 . 2]" 1
149 1 7 ARG QB 1 19 ARG H 4.000 . 6.500 5.006 3.905 5.923 . 0 0 "[ . 1 . 2]" 1
150 1 7 ARG QG 1 19 ARG H 4.000 . 6.500 4.898 3.060 6.356 . 0 0 "[ . 1 . 2]" 1
151 1 8 TRP H 1 19 ARG H 4.000 . 6.500 3.253 2.493 3.750 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLU HA 1 19 ARG H 4.000 . 6.500 3.644 2.867 4.756 . 0 0 "[ . 1 . 2]" 1
153 1 19 ARG HA 1 20 GLU H 4.000 . 5.000 2.314 2.193 2.435 . 0 0 "[ . 1 . 2]" 1
154 1 19 ARG QB 1 20 GLU H 4.000 . 6.500 3.080 2.478 3.826 . 0 0 "[ . 1 . 2]" 1
155 1 19 ARG QD 1 20 GLU H 4.000 . 6.500 4.715 3.989 5.491 . 0 0 "[ . 1 . 2]" 1
156 1 19 ARG QG 1 20 GLU H 4.000 . 6.500 3.334 1.924 4.448 . 0 0 "[ . 1 . 2]" 1
157 1 20 GLU H 1 21 GLU QB 4.000 . 6.500 5.457 5.033 5.900 . 0 0 "[ . 1 . 2]" 1
158 1 20 GLU H 1 21 GLU H 4.000 . 6.500 4.164 4.034 4.224 . 0 0 "[ . 1 . 2]" 1
159 1 20 GLU H 1 35 VAL HA 4.000 . 6.500 4.678 4.160 5.643 . 0 0 "[ . 1 . 2]" 1
160 1 20 GLU H 1 35 VAL HB 4.000 . 6.500 5.960 5.180 6.631 0.131 17 0 "[ . 1 . 2]" 1
161 1 20 GLU H 1 35 VAL MG1 4.000 . 6.500 3.151 2.458 3.872 . 0 0 "[ . 1 . 2]" 1
162 1 20 GLU H 1 36 PHE QB 4.000 . 6.500 4.012 3.428 4.388 . 0 0 "[ . 1 . 2]" 1
163 1 20 GLU H 1 37 TYR HA 4.000 . 6.500 3.612 3.017 4.106 . 0 0 "[ . 1 . 2]" 1
164 1 8 TRP HD1 1 20 GLU H 4.000 . 6.500 4.828 3.111 5.863 . 0 0 "[ . 1 . 2]" 1
165 1 21 GLU HA 1 22 VAL MG1 4.000 . 6.000 5.407 5.352 5.491 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU HA 1 35 VAL HA 4.000 . 6.000 2.417 2.205 2.829 . 0 0 "[ . 1 . 2]" 1
167 1 21 GLU HA 1 35 VAL MG2 4.000 . 6.000 2.894 2.256 3.576 . 0 0 "[ . 1 . 2]" 1
168 1 21 GLU QB 1 35 VAL MG2 4.000 . 6.000 3.214 2.251 4.085 . 0 0 "[ . 1 . 2]" 1
169 1 6 LYS QB 1 21 GLU QB 4.000 . 6.000 2.554 1.807 3.991 . 0 0 "[ . 1 . 2]" 1
170 1 20 GLU HA 1 21 GLU H 3.500 . 4.000 2.263 2.197 2.423 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLU H 1 21 GLU H 4.000 . 6.500 4.370 4.148 4.508 . 0 0 "[ . 1 . 2]" 1
172 1 21 GLU H 1 21 GLU QG 3.500 . 4.000 3.660 2.660 4.163 0.163 9 0 "[ . 1 . 2]" 1
173 1 21 GLU H 1 22 VAL MG1 4.000 . 6.500 6.016 5.794 6.478 . 0 0 "[ . 1 . 2]" 1
174 1 21 GLU H 1 35 VAL MG1 4.000 . 6.500 4.351 3.818 5.039 . 0 0 "[ . 1 . 2]" 1
175 1 5 ARG HA 1 21 GLU H 4.000 . 6.500 4.982 4.075 6.390 . 0 0 "[ . 1 . 2]" 1
176 1 6 LYS H 1 21 GLU H 4.000 . 6.500 3.190 2.687 3.649 . 0 0 "[ . 1 . 2]" 1
177 1 7 ARG HA 1 21 GLU H 4.000 . 6.500 3.908 3.406 4.289 . 0 0 "[ . 1 . 2]" 1
178 1 8 TRP HD1 1 21 GLU H 4.000 . 6.500 5.302 2.923 6.182 . 0 0 "[ . 1 . 2]" 1
179 1 8 TRP H 1 21 GLU H 4.000 . 6.500 5.158 4.587 5.683 . 0 0 "[ . 1 . 2]" 1
180 1 8 TRP HZ3 1 21 GLU H 4.000 . 6.500 5.670 3.102 6.967 0.467 9 0 "[ . 1 . 2]" 1
181 1 22 VAL H 1 22 VAL HB 4.000 . 6.000 2.868 2.568 3.023 . 0 0 "[ . 1 . 2]" 1
182 1 22 VAL HB 1 36 PHE QD 4.000 . 6.000 3.396 2.660 4.073 . 0 0 "[ . 1 . 2]" 1
183 1 20 GLU HA 1 22 VAL MG1 4.000 . 6.000 5.257 5.195 5.328 . 0 0 "[ . 1 . 2]" 1
184 1 22 VAL HA 1 22 VAL MG1 3.500 . 3.800 2.294 2.173 2.502 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL MG1 1 23 PRO QD 4.000 . 5.000 2.401 1.910 3.025 . 0 0 "[ . 1 . 2]" 1
186 1 22 VAL MG1 1 34 ASP H 4.000 . 6.000 4.723 3.962 5.286 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL MG1 1 36 PHE H 4.000 . 6.000 6.211 6.091 6.385 0.385 1 0 "[ . 1 . 2]" 1
188 1 4 GLU QB 1 22 VAL MG1 4.000 . 5.000 3.654 2.885 4.572 . 0 0 "[ . 1 . 2]" 1
189 1 5 ARG QB 1 22 VAL MG1 4.000 . 6.000 3.665 2.470 4.531 . 0 0 "[ . 1 . 2]" 1
190 1 5 ARG QD 1 22 VAL MG1 4.000 . 6.000 3.926 2.170 5.058 . 0 0 "[ . 1 . 2]" 1
191 1 6 LYS QD 1 22 VAL MG1 4.000 . 6.000 5.675 4.970 6.123 0.123 20 0 "[ . 1 . 2]" 1
192 1 21 GLU HA 1 22 VAL H 4.000 . 5.000 2.243 2.193 2.324 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLU QB 1 22 VAL H 4.000 . 6.000 3.486 2.961 3.809 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLU QG 1 22 VAL H 4.000 . 6.500 2.953 2.145 4.702 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLU QG 1 22 VAL H 4.000 . 5.000 2.451 2.094 2.894 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLU H 1 22 VAL H 4.000 . 6.500 4.516 4.357 4.596 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL H 1 22 VAL MG1 3.500 . 4.000 3.934 3.728 4.014 0.014 20 0 "[ . 1 . 2]" 1
198 1 22 VAL H 1 23 PRO QD 4.000 . 6.500 3.933 3.497 4.258 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL H 1 33 ARG QB 4.000 . 6.500 3.984 3.052 5.065 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL H 1 34 ASP QB 4.000 . 6.500 4.199 3.664 4.976 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL H 1 35 VAL MG1 4.000 . 6.500 4.620 4.078 5.043 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL H 1 35 VAL MG2 4.000 . 6.500 3.813 3.360 4.283 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL H 1 36 PHE QD 4.000 . 6.500 4.053 3.374 4.577 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL HA 1 23 PRO QD 4.000 . 6.000 1.918 1.893 1.964 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL MG1 1 23 PRO QG 4.000 . 6.000 3.826 2.937 4.650 . 0 0 "[ . 1 . 2]" 1
206 1 24 ARG HA 1 24 ARG QD 4.000 . 6.000 3.643 2.099 4.501 . 0 0 "[ . 1 . 2]" 1
207 1 23 PRO HA 1 24 ARG H 3.500 . 4.000 2.255 2.211 2.491 . 0 0 "[ . 1 . 2]" 1
208 1 23 PRO QB 1 24 ARG H 4.000 . 6.500 3.172 2.494 3.445 . 0 0 "[ . 1 . 2]" 1
209 1 23 PRO QB 1 24 ARG H 3.500 . 4.000 2.352 2.105 2.808 . 0 0 "[ . 1 . 2]" 1
210 1 24 ARG H 1 24 ARG QD 4.000 . 6.500 4.010 2.716 4.799 . 0 0 "[ . 1 . 2]" 1
211 1 24 ARG H 1 30 ALA HA 4.000 . 6.500 5.137 4.564 6.126 . 0 0 "[ . 1 . 2]" 1
212 1 24 ARG H 1 33 ARG QB 4.000 . 6.500 3.677 3.202 4.471 . 0 0 "[ . 1 . 2]" 1
213 1 24 ARG H 1 34 ASP H 4.000 . 6.500 3.911 3.221 4.947 . 0 0 "[ . 1 . 2]" 1
214 1 25 ARG HA 1 26 SER H 4.000 . 6.000 3.050 2.193 3.569 . 0 0 "[ . 1 . 2]" 1
215 1 25 ARG HA 1 25 ARG QD 4.000 . 6.000 3.955 2.153 4.482 . 0 0 "[ . 1 . 2]" 1
216 1 25 ARG H 1 25 ARG QG 4.000 . 5.000 3.122 1.916 4.239 . 0 0 "[ . 1 . 2]" 1
217 1 24 ARG HA 1 25 ARG H 4.000 . 5.000 2.369 2.197 2.563 . 0 0 "[ . 1 . 2]" 1
218 1 24 ARG H 1 25 ARG H 4.000 . 6.500 4.545 3.880 4.677 . 0 0 "[ . 1 . 2]" 1
219 1 25 ARG H 1 25 ARG QD 4.000 . 6.500 4.560 3.763 5.419 . 0 0 "[ . 1 . 2]" 1
220 1 25 ARG H 1 26 SER QB 4.000 . 6.500 4.298 3.368 5.769 . 0 0 "[ . 1 . 2]" 1
221 1 25 ARG H 1 26 SER H 3.500 . 4.000 2.650 1.501 4.380 0.380 19 0 "[ . 1 . 2]" 1
222 1 24 ARG QD 1 26 SER H 4.000 . 6.500 5.017 2.586 6.582 0.082 3 0 "[ . 1 . 2]" 1
223 1 25 ARG QB 1 26 SER H 3.500 . 4.000 3.176 1.702 4.029 0.098 15 0 "[ . 1 . 2]" 1
224 1 25 ARG QG 1 26 SER H 4.000 . 5.000 4.068 2.828 4.501 . 0 0 "[ . 1 . 2]" 1
225 1 26 SER H 1 27 GLY H 4.000 . 6.500 3.651 1.796 4.704 0.004 12 0 "[ . 1 . 2]" 1
226 1 26 SER H 1 30 ALA MB 4.000 . 6.000 3.711 2.378 4.813 . 0 0 "[ . 1 . 2]" 1
227 1 27 GLY QA 1 28 LEU QB 4.000 . 6.000 4.159 3.951 4.520 . 0 0 "[ . 1 . 2]" 1
228 1 27 GLY QA 1 28 LEU H 4.000 . 5.000 2.278 2.160 2.326 . 0 0 "[ . 1 . 2]" 1
229 1 26 SER HA 1 27 GLY H 3.500 . 4.000 2.689 2.195 3.584 . 0 0 "[ . 1 . 2]" 1
230 1 27 GLY H 1 28 LEU H 4.000 . 6.500 4.079 3.148 4.699 . 0 0 "[ . 1 . 2]" 1
231 1 27 GLY H 1 30 ALA MB 4.000 . 6.500 3.241 1.983 4.821 . 0 0 "[ . 1 . 2]" 1
232 1 28 LEU HA 1 28 LEU QD 3.500 . 3.800 2.253 1.927 3.042 . 0 0 "[ . 1 . 2]" 1
233 1 28 LEU HA 1 29 SER H 4.000 . 6.000 3.544 3.297 3.583 . 0 0 "[ . 1 . 2]" 1
234 1 28 LEU H 1 28 LEU HG 4.000 . 5.000 3.228 1.756 4.463 0.044 18 0 "[ . 1 . 2]" 1
235 1 28 LEU H 1 29 SER HA 4.000 . 6.500 5.329 5.202 5.400 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU H 1 29 SER H 4.000 . 5.000 2.678 2.568 2.794 . 0 0 "[ . 1 . 2]" 1
237 1 29 SER HA 1 30 ALA HA 4.000 . 5.000 4.885 4.665 5.019 0.019 8 0 "[ . 1 . 2]" 1
238 1 29 SER HA 1 30 ALA MB 4.000 . 6.000 4.633 4.385 4.861 . 0 0 "[ . 1 . 2]" 1
239 1 29 SER HA 1 30 ALA H 4.000 . 5.000 3.136 2.967 3.459 . 0 0 "[ . 1 . 2]" 1
240 1 27 GLY QA 1 29 SER H 4.000 . 5.000 3.620 2.726 4.108 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLY QA 1 29 SER H 4.000 . 5.000 3.173 2.603 3.365 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU QD 1 29 SER H 4.000 . 6.500 3.780 2.738 4.191 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU QB 1 29 SER H 4.000 . 5.000 2.531 1.986 3.335 . 0 0 "[ . 1 . 2]" 1
244 1 29 SER H 1 30 ALA MB 4.000 . 6.000 4.404 4.176 4.744 . 0 0 "[ . 1 . 2]" 1
245 1 24 ARG QB 1 30 ALA MB 4.000 . 6.000 3.963 2.156 5.941 . 0 0 "[ . 1 . 2]" 1
246 1 25 ARG HA 1 30 ALA MB 4.000 . 6.000 3.595 2.093 5.385 . 0 0 "[ . 1 . 2]" 1
247 1 26 SER HA 1 30 ALA MB 4.000 . 5.000 3.973 2.902 5.077 0.077 4 0 "[ . 1 . 2]" 1
248 1 30 ALA H 1 30 ALA MB 2.500 . 2.900 2.242 2.109 2.312 . 0 0 "[ . 1 . 2]" 1
249 1 30 ALA MB 1 31 GLY H 4.000 . 5.000 2.726 2.307 3.398 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU HA 1 30 ALA H 4.000 . 6.500 3.528 3.159 4.071 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU QD 1 30 ALA H 4.000 . 6.500 4.587 4.120 5.032 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU HG 1 30 ALA H 4.000 . 6.500 5.413 4.303 6.527 0.027 4 0 "[ . 1 . 2]" 1
253 1 28 LEU H 1 30 ALA H 4.000 . 6.500 3.810 3.568 4.201 . 0 0 "[ . 1 . 2]" 1
254 1 29 SER H 1 30 ALA H 4.000 . 6.500 2.775 2.486 3.110 . 0 0 "[ . 1 . 2]" 1
255 1 23 PRO QB 1 31 GLY H 4.000 . 6.500 3.042 1.848 4.444 . 0 0 "[ . 1 . 2]" 1
256 1 24 ARG HA 1 31 GLY H 4.000 . 6.500 5.290 4.157 6.657 0.157 13 0 "[ . 1 . 2]" 1
257 1 30 ALA HA 1 31 GLY H 3.500 . 4.000 2.338 2.201 2.507 . 0 0 "[ . 1 . 2]" 1
258 1 30 ALA H 1 31 GLY H 4.000 . 6.500 4.654 4.423 4.700 . 0 0 "[ . 1 . 2]" 1
259 1 32 HIS H 1 32 HIS QB 3.500 . 4.000 2.418 2.337 2.717 . 0 0 "[ . 1 . 2]" 1
260 1 24 ARG QB 1 32 HIS H 4.000 . 5.000 3.362 2.342 5.224 0.224 2 0 "[ . 1 . 2]" 1
261 1 30 ALA HA 1 32 HIS H 4.000 . 6.500 3.422 3.123 3.804 . 0 0 "[ . 1 . 2]" 1
262 1 30 ALA MB 1 32 HIS H 4.000 . 6.000 4.329 4.071 4.709 . 0 0 "[ . 1 . 2]" 1
263 1 31 GLY QA 1 32 HIS H 4.000 . 5.000 2.828 2.730 2.928 . 0 0 "[ . 1 . 2]" 1
264 1 31 GLY H 1 32 HIS H 4.000 . 5.000 2.706 2.059 3.166 . 0 0 "[ . 1 . 2]" 1
265 1 32 HIS H 1 32 HIS HD2 4.000 . 6.500 4.162 2.374 5.260 . 0 0 "[ . 1 . 2]" 1
266 1 32 HIS H 1 33 ARG QB 4.000 . 6.500 4.988 4.494 5.421 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLU QG 1 33 ARG QB 4.000 . 6.000 2.801 2.096 3.826 . 0 0 "[ . 1 . 2]" 1
268 1 33 ARG QB 1 34 ASP H 4.000 . 6.000 3.228 2.789 3.796 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLU QG 1 33 ARG QD 4.000 . 6.000 3.739 2.167 5.213 . 0 0 "[ . 1 . 2]" 1
270 1 23 PRO HA 1 33 ARG QD 4.000 . 5.000 4.113 2.234 5.257 0.257 10 0 "[ . 1 . 2]" 1
271 1 24 ARG H 1 33 ARG QD 4.000 . 6.000 3.830 2.139 4.564 . 0 0 "[ . 1 . 2]" 1
272 1 33 ARG HA 1 33 ARG QD 4.000 . 6.000 3.909 2.161 4.502 . 0 0 "[ . 1 . 2]" 1
273 1 33 ARG QD 1 35 VAL MG2 4.000 . 6.000 4.824 3.589 6.074 0.074 19 0 "[ . 1 . 2]" 1
274 1 21 GLU QG 1 33 ARG QG 4.000 . 6.000 3.229 2.262 5.362 . 0 0 "[ . 1 . 2]" 1
275 1 23 PRO QB 1 33 ARG QG 4.000 . 6.000 3.533 2.258 5.521 . 0 0 "[ . 1 . 2]" 1
276 1 32 HIS HA 1 33 ARG H 4.000 . 5.000 2.421 2.192 3.017 . 0 0 "[ . 1 . 2]" 1
277 1 32 HIS QB 1 33 ARG H 4.000 . 6.500 2.679 1.785 3.659 0.015 7 0 "[ . 1 . 2]" 1
278 1 32 HIS QB 1 33 ARG H 4.000 . 6.500 2.571 1.783 3.462 0.017 7 0 "[ . 1 . 2]" 1
279 1 32 HIS H 1 33 ARG H 4.000 . 6.500 4.538 4.117 4.689 . 0 0 "[ . 1 . 2]" 1
280 1 33 ARG H 1 33 ARG QG 4.000 . 6.500 2.511 1.904 4.056 . 0 0 "[ . 1 . 2]" 1
281 1 34 ASP HA 1 35 VAL MG2 4.000 . 6.000 3.452 3.211 3.755 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLU HA 1 34 ASP H 4.000 . 6.500 5.374 4.930 5.827 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL H 1 34 ASP H 4.000 . 6.500 3.572 3.155 3.933 . 0 0 "[ . 1 . 2]" 1
284 1 23 PRO HA 1 34 ASP H 4.000 . 6.500 3.485 2.437 3.948 . 0 0 "[ . 1 . 2]" 1
285 1 24 ARG H 1 34 ASP H 4.000 . 6.500 3.628 3.125 4.161 . 0 0 "[ . 1 . 2]" 1
286 1 33 ARG HA 1 34 ASP H 4.000 . 5.000 2.218 2.189 2.315 . 0 0 "[ . 1 . 2]" 1
287 1 34 ASP H 1 35 VAL H 4.000 . 6.500 4.542 4.452 4.610 . 0 0 "[ . 1 . 2]" 1
288 1 34 ASP H 1 36 PHE QD 4.000 . 6.500 5.635 5.009 6.345 . 0 0 "[ . 1 . 2]" 1
289 1 34 ASP QB 1 35 VAL HB 4.000 . 6.000 5.456 5.125 5.887 . 0 0 "[ . 1 . 2]" 1
290 1 35 VAL H 1 35 VAL HB 4.000 . 5.000 2.619 2.476 2.778 . 0 0 "[ . 1 . 2]" 1
291 1 35 VAL HB 1 66 PHE QD 4.000 . 6.000 4.638 3.855 5.481 . 0 0 "[ . 1 . 2]" 1
292 1 35 VAL HB 1 66 PHE QE 4.000 . 6.000 3.563 2.291 5.015 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLU QG 1 35 VAL MG1 4.000 . 6.000 3.511 2.098 4.925 . 0 0 "[ . 1 . 2]" 1
294 1 35 VAL MG1 1 36 PHE H 4.000 . 5.000 2.584 2.385 2.902 . 0 0 "[ . 1 . 2]" 1
295 1 35 VAL MG1 1 37 TYR QE 4.000 . 6.000 2.541 2.142 3.100 . 0 0 "[ . 1 . 2]" 1
296 1 35 VAL MG1 1 66 PHE QE 4.000 . 6.000 4.265 3.252 5.259 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLU QG 1 35 VAL MG2 4.000 . 6.000 2.457 2.022 4.013 . 0 0 "[ . 1 . 2]" 1
298 1 35 VAL H 1 35 VAL MG2 4.000 . 5.000 2.514 2.095 2.884 . 0 0 "[ . 1 . 2]" 1
299 1 34 ASP HA 1 35 VAL H 3.500 . 4.000 2.249 2.216 2.309 . 0 0 "[ . 1 . 2]" 1
300 1 34 ASP QB 1 35 VAL H 4.000 . 5.000 3.215 2.895 3.718 . 0 0 "[ . 1 . 2]" 1
301 1 35 VAL H 1 35 VAL MG1 4.000 . 6.500 3.846 3.764 3.869 . 0 0 "[ . 1 . 2]" 1
302 1 36 PHE QB 1 38 TYR QR 4.000 . 6.000 2.777 2.184 3.312 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL MG1 1 36 PHE QD 4.000 . 6.000 4.414 4.003 4.673 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLU H 1 36 PHE H 4.000 . 6.500 3.264 2.787 4.055 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLU HA 1 36 PHE H 4.000 . 6.500 3.547 2.827 4.004 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL H 1 36 PHE H 4.000 . 6.500 4.465 3.942 4.733 . 0 0 "[ . 1 . 2]" 1
307 1 35 VAL HA 1 36 PHE H 3.500 . 4.000 2.213 2.192 2.251 . 0 0 "[ . 1 . 2]" 1
308 1 35 VAL H 1 36 PHE H 4.000 . 6.500 4.464 4.399 4.519 . 0 0 "[ . 1 . 2]" 1
309 1 36 PHE H 1 36 PHE QD 4.000 . 6.500 2.749 2.444 3.147 . 0 0 "[ . 1 . 2]" 1
310 1 36 PHE H 1 38 TYR QE 4.000 . 6.500 4.599 4.093 5.672 . 0 0 "[ . 1 . 2]" 1
311 1 35 VAL MG1 1 37 TYR QD 4.000 . 6.000 3.411 3.012 3.959 . 0 0 "[ . 1 . 2]" 1
312 1 37 TYR HA 1 37 TYR QD 4.000 . 6.000 3.031 2.954 3.112 . 0 0 "[ . 1 . 2]" 1
313 1 37 TYR H 1 37 TYR QD 4.000 . 6.000 2.516 2.257 2.775 . 0 0 "[ . 1 . 2]" 1
314 1 37 TYR QD 1 38 TYR H 4.000 . 6.000 3.983 3.735 4.300 . 0 0 "[ . 1 . 2]" 1
315 1 37 TYR QD 1 51 LEU QD 4.000 . 6.000 3.300 2.339 4.016 . 0 0 "[ . 1 . 2]" 1
316 1 35 VAL MG1 1 37 TYR H 4.000 . 6.500 4.224 3.655 4.742 . 0 0 "[ . 1 . 2]" 1
317 1 36 PHE HA 1 37 TYR H 4.000 . 5.000 2.280 2.249 2.331 . 0 0 "[ . 1 . 2]" 1
318 1 36 PHE QB 1 37 TYR H 4.000 . 6.500 2.880 2.727 2.974 . 0 0 "[ . 1 . 2]" 1
319 1 36 PHE QD 1 37 TYR H 4.000 . 6.500 3.867 3.595 4.094 . 0 0 "[ . 1 . 2]" 1
320 1 36 PHE H 1 37 TYR H 4.000 . 6.500 4.510 4.476 4.564 . 0 0 "[ . 1 . 2]" 1
321 1 37 TYR H 1 38 TYR QR 4.000 . 6.500 4.320 3.714 4.747 . 0 0 "[ . 1 . 2]" 1
322 1 37 TYR H 1 38 TYR H 4.000 . 6.500 4.269 4.167 4.319 . 0 0 "[ . 1 . 2]" 1
323 1 37 TYR H 1 44 LYS HA 4.000 . 6.500 4.507 4.015 5.236 . 0 0 "[ . 1 . 2]" 1
324 1 37 TYR H 1 46 ARG HA 4.000 . 6.500 3.633 2.972 3.911 . 0 0 "[ . 1 . 2]" 1
325 1 37 TYR H 1 46 ARG QG 4.000 . 6.500 5.059 3.650 5.823 . 0 0 "[ . 1 . 2]" 1
326 1 37 TYR H 1 51 LEU QD 4.000 . 6.500 5.329 4.505 6.121 . 0 0 "[ . 1 . 2]" 1
327 1 38 TYR HA 1 39 SER H 4.000 . 5.000 2.235 2.199 2.271 . 0 0 "[ . 1 . 2]" 1
328 1 38 TYR HA 1 38 TYR QD 4.000 . 6.000 2.826 2.235 3.198 . 0 0 "[ . 1 . 2]" 1
329 1 38 TYR H 1 38 TYR QD 4.000 . 6.000 2.750 2.070 3.404 . 0 0 "[ . 1 . 2]" 1
330 1 38 TYR QD 1 44 LYS QB 4.000 . 6.000 3.162 2.314 4.926 . 0 0 "[ . 1 . 2]" 1
331 1 18 GLU QB 1 38 TYR QE 4.000 . 5.000 5.070 4.497 5.388 0.388 11 0 "[ . 1 . 2]" 1
332 1 20 GLU H 1 38 TYR QE 4.000 . 6.000 3.721 2.646 4.813 . 0 0 "[ . 1 . 2]" 1
333 1 36 PHE QB 1 38 TYR QE 4.000 . 5.000 2.754 2.187 3.226 . 0 0 "[ . 1 . 2]" 1
334 1 36 PHE QD 1 38 TYR QE 4.000 . 6.000 4.466 3.993 4.965 . 0 0 "[ . 1 . 2]" 1
335 1 38 TYR QE 1 44 LYS QB 4.000 . 5.000 2.806 2.181 4.337 . 0 0 "[ . 1 . 2]" 1
336 1 17 TRP HA 1 38 TYR H 4.000 . 6.500 4.779 4.331 5.271 . 0 0 "[ . 1 . 2]" 1
337 1 17 TRP HE3 1 38 TYR H 4.000 . 6.500 4.699 4.441 5.375 . 0 0 "[ . 1 . 2]" 1
338 1 19 ARG HA 1 38 TYR H 4.000 . 6.500 3.404 3.140 3.713 . 0 0 "[ . 1 . 2]" 1
339 1 19 ARG QB 1 38 TYR H 4.000 . 6.500 4.694 3.805 5.334 . 0 0 "[ . 1 . 2]" 1
340 1 37 TYR HA 1 38 TYR H 4.000 . 5.000 2.286 2.242 2.321 . 0 0 "[ . 1 . 2]" 1
341 1 37 TYR QB 1 38 TYR H 4.000 . 6.500 2.864 2.762 3.016 . 0 0 "[ . 1 . 2]" 1
342 1 38 TYR H 1 39 SER H 4.000 . 6.500 4.427 4.404 4.451 . 0 0 "[ . 1 . 2]" 1
343 1 39 SER QB 1 43 LYS QB 4.000 . 6.000 2.596 2.205 3.439 . 0 0 "[ . 1 . 2]" 1
344 1 17 TRP HH2 1 39 SER H 4.000 . 6.500 6.375 5.979 6.651 0.151 13 0 "[ . 1 . 2]" 1
345 1 17 TRP HZ3 1 39 SER H 4.000 . 6.500 5.599 4.831 6.148 . 0 0 "[ . 1 . 2]" 1
346 1 37 TYR QB 1 39 SER H 4.000 . 6.500 5.196 4.971 5.377 . 0 0 "[ . 1 . 2]" 1
347 1 38 TYR QB 1 39 SER H 4.000 . 6.500 3.047 2.923 3.249 . 0 0 "[ . 1 . 2]" 1
348 1 38 TYR QD 1 39 SER H 4.000 . 6.500 4.160 3.830 4.566 . 0 0 "[ . 1 . 2]" 1
349 1 39 SER H 1 42 GLY QA 4.000 . 6.500 3.752 3.574 4.305 . 0 0 "[ . 1 . 2]" 1
350 1 39 SER H 1 42 GLY H 4.000 . 6.500 3.640 3.492 3.891 . 0 0 "[ . 1 . 2]" 1
351 1 39 SER H 1 43 LYS QB 4.000 . 6.500 3.221 2.998 3.573 . 0 0 "[ . 1 . 2]" 1
352 1 39 SER H 1 43 LYS H 4.000 . 6.500 2.936 2.609 3.392 . 0 0 "[ . 1 . 2]" 1
353 1 39 SER H 1 44 LYS HA 4.000 . 6.500 4.147 3.892 4.371 . 0 0 "[ . 1 . 2]" 1
354 1 39 SER H 1 45 PHE QD 4.000 . 6.500 4.004 3.682 5.002 . 0 0 "[ . 1 . 2]" 1
355 1 39 SER H 1 45 PHE QE 4.000 . 6.500 2.438 1.975 3.531 . 0 0 "[ . 1 . 2]" 1
356 1 39 SER H 1 45 PHE H 4.000 . 6.500 5.127 4.722 5.294 . 0 0 "[ . 1 . 2]" 1
357 1 38 TYR HA 1 42 GLY H 4.000 . 6.500 5.380 5.171 5.756 . 0 0 "[ . 1 . 2]" 1
358 1 38 TYR QB 1 42 GLY H 4.000 . 6.500 4.373 4.130 4.737 . 0 0 "[ . 1 . 2]" 1
359 1 38 TYR QD 1 42 GLY H 4.000 . 6.500 5.648 4.962 6.289 . 0 0 "[ . 1 . 2]" 1
360 1 39 SER QB 1 42 GLY H 4.000 . 6.500 3.916 3.351 4.439 . 0 0 "[ . 1 . 2]" 1
361 1 41 SER HA 1 42 GLY H 4.000 . 5.000 3.281 3.178 3.340 . 0 0 "[ . 1 . 2]" 1
362 1 41 SER QB 1 42 GLY H 4.000 . 6.500 3.595 3.285 3.929 . 0 0 "[ . 1 . 2]" 1
363 1 42 GLY H 1 43 LYS QB 4.000 . 6.500 4.212 4.109 4.363 . 0 0 "[ . 1 . 2]" 1
364 1 43 LYS H 1 43 LYS QB 3.500 . 4.000 2.277 2.246 2.302 . 0 0 "[ . 1 . 2]" 1
365 1 43 LYS QB 1 44 LYS H 4.000 . 6.000 3.825 3.735 3.900 . 0 0 "[ . 1 . 2]" 1
366 1 43 LYS HA 1 43 LYS QD 4.000 . 6.000 3.930 3.228 4.016 . 0 0 "[ . 1 . 2]" 1
367 1 43 LYS QD 1 44 LYS H 4.000 . 6.000 4.671 2.982 5.070 . 0 0 "[ . 1 . 2]" 1
368 1 43 LYS QD 1 45 PHE HA 4.000 . 6.000 5.589 3.767 6.129 0.129 7 0 "[ . 1 . 2]" 1
369 1 43 LYS QD 1 45 PHE QD 4.000 . 6.000 2.932 2.155 3.672 . 0 0 "[ . 1 . 2]" 1
370 1 43 LYS QD 1 45 PHE QE 4.000 . 6.000 4.060 2.745 4.442 . 0 0 "[ . 1 . 2]" 1
371 1 43 LYS QD 1 45 PHE HZ 4.000 . 6.000 5.774 5.032 6.068 0.068 10 0 "[ . 1 . 2]" 1
372 1 43 LYS QE 1 45 PHE HA 4.000 . 6.000 4.605 4.073 6.113 0.113 14 0 "[ . 1 . 2]" 1
373 1 43 LYS QE 1 45 PHE QD 4.000 . 6.000 3.170 2.296 3.906 . 0 0 "[ . 1 . 2]" 1
374 1 43 LYS QE 1 45 PHE QE 4.000 . 6.000 4.622 4.225 4.829 . 0 0 "[ . 1 . 2]" 1
375 1 43 LYS QE 1 45 PHE HZ 4.000 . 6.000 6.169 5.758 6.295 0.295 5 0 "[ . 1 . 2]" 1
376 1 38 TYR HA 1 43 LYS H 4.000 . 6.500 4.647 4.339 5.204 . 0 0 "[ . 1 . 2]" 1
377 1 38 TYR QD 1 43 LYS H 4.000 . 6.500 5.215 4.711 5.992 . 0 0 "[ . 1 . 2]" 1
378 1 39 SER QB 1 43 LYS H 4.000 . 6.500 3.276 2.874 3.945 . 0 0 "[ . 1 . 2]" 1
379 1 42 GLY QA 1 43 LYS H 4.000 . 6.500 2.903 2.869 2.931 . 0 0 "[ . 1 . 2]" 1
380 1 42 GLY H 1 43 LYS H 3.500 . 4.000 2.396 2.293 2.564 . 0 0 "[ . 1 . 2]" 1
381 1 43 LYS H 1 43 LYS QG 4.000 . 6.500 3.975 3.939 3.996 . 0 0 "[ . 1 . 2]" 1
382 1 43 LYS H 1 44 LYS H 4.000 . 6.500 4.536 4.465 4.591 . 0 0 "[ . 1 . 2]" 1
383 1 43 LYS H 1 45 PHE QE 4.000 . 6.500 4.589 4.106 5.395 . 0 0 "[ . 1 . 2]" 1
384 1 38 TYR QR 1 44 LYS HA 4.000 . 6.000 3.026 2.214 3.905 . 0 0 "[ . 1 . 2]" 1
385 1 44 LYS HA 1 45 PHE H 4.000 . 5.000 2.198 2.190 2.223 . 0 0 "[ . 1 . 2]" 1
386 1 36 PHE QD 1 44 LYS QD 4.000 . 6.000 4.485 3.697 5.721 . 0 0 "[ . 1 . 2]" 1
387 1 38 TYR QE 1 44 LYS QD 4.000 . 5.000 3.081 2.253 4.386 . 0 0 "[ . 1 . 2]" 1
388 1 44 LYS H 1 44 LYS QD 4.000 . 6.000 4.014 3.549 4.511 . 0 0 "[ . 1 . 2]" 1
389 1 36 PHE QB 1 44 LYS QE 4.000 . 6.000 4.203 2.226 6.154 0.154 7 0 "[ . 1 . 2]" 1
390 1 36 PHE QD 1 44 LYS QE 4.000 . 6.000 4.048 2.085 6.084 0.084 16 0 "[ . 1 . 2]" 1
391 1 38 TYR QE 1 44 LYS QE 4.000 . 6.000 3.931 2.238 5.727 . 0 0 "[ . 1 . 2]" 1
392 1 38 TYR QR 1 44 LYS H 4.000 . 6.500 4.272 3.818 4.930 . 0 0 "[ . 1 . 2]" 1
393 1 43 LYS HA 1 44 LYS H 3.500 . 4.000 2.195 2.190 2.207 . 0 0 "[ . 1 . 2]" 1
394 1 43 LYS QE 1 44 LYS H 4.000 . 6.500 4.902 4.616 5.228 . 0 0 "[ . 1 . 2]" 1
395 1 43 LYS QG 1 44 LYS H 4.000 . 5.000 2.814 2.388 3.017 . 0 0 "[ . 1 . 2]" 1
396 1 44 LYS H 1 44 LYS QE 4.000 . 6.500 5.053 3.913 6.194 . 0 0 "[ . 1 . 2]" 1
397 1 44 LYS H 1 44 LYS QG 4.000 . 6.500 2.741 1.751 4.010 0.049 6 0 "[ . 1 . 2]" 1
398 1 44 LYS H 1 45 PHE HA 4.000 . 6.500 5.260 5.208 5.301 . 0 0 "[ . 1 . 2]" 1
399 1 45 PHE QB 1 51 LEU QD 4.000 . 6.000 4.341 3.406 5.346 . 0 0 "[ . 1 . 2]" 1
400 1 39 SER QB 1 45 PHE QE 4.000 . 6.000 2.564 2.159 3.539 . 0 0 "[ . 1 . 2]" 1
401 1 43 LYS QB 1 45 PHE QE 4.000 . 6.000 3.371 2.360 4.023 . 0 0 "[ . 1 . 2]" 1
402 1 17 TRP HZ3 1 45 PHE H 4.000 . 6.500 6.490 6.200 6.623 0.123 9 0 "[ . 1 . 2]" 1
403 1 36 PHE HA 1 45 PHE H 4.000 . 6.500 4.932 4.542 5.672 . 0 0 "[ . 1 . 2]" 1
404 1 36 PHE QB 1 45 PHE H 4.000 . 6.500 3.394 3.054 3.816 . 0 0 "[ . 1 . 2]" 1
405 1 36 PHE QB 1 45 PHE H 4.000 . 6.500 4.189 3.963 4.442 . 0 0 "[ . 1 . 2]" 1
406 1 37 TYR QD 1 45 PHE H 4.000 . 6.500 5.014 4.432 5.527 . 0 0 "[ . 1 . 2]" 1
407 1 37 TYR H 1 45 PHE H 4.000 . 6.500 3.168 2.743 3.831 . 0 0 "[ . 1 . 2]" 1
408 1 38 TYR HA 1 45 PHE H 4.000 . 6.500 3.784 3.255 4.088 . 0 0 "[ . 1 . 2]" 1
409 1 38 TYR QR 1 45 PHE H 4.000 . 6.500 4.463 3.674 5.015 . 0 0 "[ . 1 . 2]" 1
410 1 44 LYS QB 1 45 PHE H 4.000 . 6.500 3.468 3.099 3.847 . 0 0 "[ . 1 . 2]" 1
411 1 44 LYS QD 1 45 PHE H 4.000 . 6.500 5.226 4.791 5.782 . 0 0 "[ . 1 . 2]" 1
412 1 44 LYS QG 1 45 PHE H 4.000 . 6.500 3.622 2.706 4.398 . 0 0 "[ . 1 . 2]" 1
413 1 44 LYS H 1 45 PHE H 4.000 . 6.500 4.491 4.426 4.564 . 0 0 "[ . 1 . 2]" 1
414 1 45 PHE H 1 45 PHE QD 4.000 . 6.500 2.559 2.289 3.044 . 0 0 "[ . 1 . 2]" 1
415 1 45 PHE H 1 45 PHE QE 4.000 . 6.500 3.808 3.661 4.054 . 0 0 "[ . 1 . 2]" 1
416 1 45 PHE H 1 46 ARG QB 4.000 . 6.500 4.956 4.662 5.316 . 0 0 "[ . 1 . 2]" 1
417 1 45 PHE H 1 46 ARG H 4.000 . 6.500 4.409 4.400 4.426 . 0 0 "[ . 1 . 2]" 1
418 1 45 PHE H 1 51 LEU QD 4.000 . 6.500 5.630 5.053 6.292 . 0 0 "[ . 1 . 2]" 1
419 1 43 LYS QB 1 45 PHE HZ 4.000 . 6.000 5.486 4.517 6.197 0.197 14 0 "[ . 1 . 2]" 1
420 1 36 PHE QD 1 46 ARG HA 4.000 . 6.000 4.530 3.952 5.021 . 0 0 "[ . 1 . 2]" 1
421 1 36 PHE QD 1 46 ARG QB 4.000 . 6.000 2.784 2.250 3.549 . 0 0 "[ . 1 . 2]" 1
422 1 36 PHE QD 1 46 ARG QD 4.000 . 5.000 3.426 2.400 4.826 . 0 0 "[ . 1 . 2]" 1
423 1 46 ARG HA 1 46 ARG QD 4.000 . 6.000 3.951 2.156 4.503 . 0 0 "[ . 1 . 2]" 1
424 1 36 PHE QD 1 46 ARG QG 4.000 . 6.000 3.769 2.638 4.328 . 0 0 "[ . 1 . 2]" 1
425 1 46 ARG H 1 46 ARG QG 4.000 . 6.000 2.719 1.932 4.260 . 0 0 "[ . 1 . 2]" 1
426 1 36 PHE QD 1 46 ARG H 4.000 . 6.500 5.029 4.629 5.394 . 0 0 "[ . 1 . 2]" 1
427 1 45 PHE HA 1 46 ARG H 4.000 . 5.000 2.299 2.280 2.349 . 0 0 "[ . 1 . 2]" 1
428 1 45 PHE QB 1 46 ARG H 4.000 . 6.500 2.822 2.686 2.884 . 0 0 "[ . 1 . 2]" 1
429 1 45 PHE QD 1 46 ARG H 4.000 . 6.500 4.164 3.670 4.403 . 0 0 "[ . 1 . 2]" 1
430 1 46 ARG H 1 50 GLN QE 4.000 . 6.500 4.618 2.712 6.176 . 0 0 "[ . 1 . 2]" 1
431 1 46 ARG H 1 50 GLN HE21 4.000 . 6.500 5.334 2.965 6.629 0.129 7 0 "[ . 1 . 2]" 1
432 1 37 TYR QB 1 47 SER H 4.000 . 6.500 3.333 3.006 4.640 . 0 0 "[ . 1 . 2]" 1
433 1 45 PHE QB 1 47 SER H 4.000 . 6.500 3.388 3.037 4.724 . 0 0 "[ . 1 . 2]" 1
434 1 46 ARG HA 1 47 SER H 4.000 . 6.500 2.702 2.494 3.584 . 0 0 "[ . 1 . 2]" 1
435 1 46 ARG QB 1 47 SER H 4.000 . 6.500 3.832 1.919 4.054 . 0 0 "[ . 1 . 2]" 1
436 1 46 ARG QG 1 47 SER H 4.000 . 6.500 3.919 1.762 4.739 0.038 11 0 "[ . 1 . 2]" 1
437 1 46 ARG H 1 47 SER H 3.500 . 4.000 3.027 2.466 3.259 . 0 0 "[ . 1 . 2]" 1
438 1 47 SER H 1 48 LYS H 4.000 . 6.500 4.266 3.994 4.552 . 0 0 "[ . 1 . 2]" 1
439 1 47 SER H 1 50 GLN QB 4.000 . 6.500 3.629 2.997 5.047 . 0 0 "[ . 1 . 2]" 1
440 1 47 SER H 1 50 GLN QG 4.000 . 6.500 4.962 3.797 6.201 . 0 0 "[ . 1 . 2]" 1
441 1 47 SER H 1 50 GLN H 4.000 . 6.500 4.734 4.219 5.449 . 0 0 "[ . 1 . 2]" 1
442 1 47 SER H 1 51 LEU QD 4.000 . 6.500 4.415 2.879 6.169 . 0 0 "[ . 1 . 2]" 1
443 1 47 SER H 1 66 PHE QD 4.000 . 6.500 5.280 4.408 6.514 0.014 11 0 "[ . 1 . 2]" 1
444 1 47 SER H 1 66 PHE QE 4.000 . 6.500 3.691 2.682 5.516 . 0 0 "[ . 1 . 2]" 1
445 1 48 LYS HA 1 48 LYS QD 4.000 . 6.000 2.995 2.038 3.913 . 0 0 "[ . 1 . 2]" 1
446 1 48 LYS QB 1 49 PRO QD 4.000 . 6.000 1.978 1.835 2.054 . 0 0 "[ . 1 . 2]" 1
447 1 48 LYS QB 1 49 PRO QG 4.000 . 6.000 3.497 3.341 3.867 . 0 0 "[ . 1 . 2]" 1
448 1 47 SER QB 1 48 LYS H 4.000 . 6.500 3.247 2.917 3.770 . 0 0 "[ . 1 . 2]" 1
449 1 48 LYS H 1 49 PRO QG 4.000 . 6.500 3.889 3.656 4.121 . 0 0 "[ . 1 . 2]" 1
450 1 48 LYS H 1 66 PHE QE 4.000 . 6.500 4.766 3.581 5.460 . 0 0 "[ . 1 . 2]" 1
451 1 49 PRO HA 1 49 PRO QD 4.000 . 6.000 3.349 3.163 3.426 . 0 0 "[ . 1 . 2]" 1
452 1 49 PRO HA 1 52 ALA H 4.000 . 6.000 3.658 3.401 3.926 . 0 0 "[ . 1 . 2]" 1
453 1 50 GLN HA 1 53 ARG QB 4.000 . 6.000 2.542 2.251 2.814 . 0 0 "[ . 1 . 2]" 1
454 1 47 SER H 1 50 GLN QB 4.000 . 6.000 2.606 2.462 3.376 . 0 0 "[ . 1 . 2]" 1
455 1 45 PHE QD 1 50 GLN QG 4.000 . 6.000 4.504 3.185 5.895 . 0 0 "[ . 1 . 2]" 1
456 1 50 GLN QG 1 51 LEU H 4.000 . 6.000 3.829 1.900 4.481 . 0 0 "[ . 1 . 2]" 1
457 1 49 PRO QB 1 50 GLN H 4.000 . 6.500 2.563 2.206 3.034 . 0 0 "[ . 1 . 2]" 1
458 1 49 PRO QD 1 50 GLN H 4.000 . 6.500 2.802 2.596 3.144 . 0 0 "[ . 1 . 2]" 1
459 1 49 PRO QG 1 50 GLN H 4.000 . 6.500 3.448 2.369 3.855 . 0 0 "[ . 1 . 2]" 1
460 1 50 GLN H 1 50 GLN QG 4.000 . 5.000 3.242 2.176 4.058 . 0 0 "[ . 1 . 2]" 1
461 1 50 GLN H 1 51 LEU H 4.000 . 5.000 2.622 2.561 2.685 . 0 0 "[ . 1 . 2]" 1
462 1 50 GLN H 1 52 ALA H 4.000 . 6.500 4.305 4.139 4.465 . 0 0 "[ . 1 . 2]" 1
463 1 51 LEU HA 1 51 LEU QD . . 3.800 2.309 1.898 3.045 . 0 0 "[ . 1 . 2]" 1
464 1 48 LYS HA 1 51 LEU QB 4.000 . 6.000 2.783 2.410 3.177 . 0 0 "[ . 1 . 2]" 1
465 1 51 LEU QB 1 52 ALA H 4.000 . 6.000 2.479 2.290 2.604 . 0 0 "[ . 1 . 2]" 1
466 1 51 LEU QB 1 61 LEU QD 4.000 . 6.000 3.253 1.901 4.676 . 0 0 "[ . 1 . 2]" 1
467 1 17 TRP HE3 1 51 LEU QD 4.000 . 6.000 3.232 2.800 4.142 . 0 0 "[ . 1 . 2]" 1
468 1 17 TRP HH2 1 51 LEU QD 4.000 . 5.000 3.603 2.631 4.438 . 0 0 "[ . 1 . 2]" 1
469 1 17 TRP HZ3 1 51 LEU QD 4.000 . 5.000 2.527 1.957 3.329 . 0 0 "[ . 1 . 2]" 1
470 1 37 TYR QB 1 51 LEU QD 4.000 . 6.000 3.107 2.379 3.603 . 0 0 "[ . 1 . 2]" 1
471 1 45 PHE QE 1 51 LEU QD 4.000 . 6.000 2.080 1.895 2.261 . 0 0 "[ . 1 . 2]" 1
472 1 48 LYS HA 1 51 LEU QD 4.000 . 6.000 3.363 2.523 4.207 . 0 0 "[ . 1 . 2]" 1
473 1 51 LEU H 1 51 LEU QD 4.000 . 5.000 3.277 1.765 3.768 0.035 19 0 "[ . 1 . 2]" 1
474 1 51 LEU QD 1 54 TYR QB 4.000 . 6.000 3.538 2.948 4.310 . 0 0 "[ . 1 . 2]" 1
475 1 51 LEU QD 1 54 TYR QD 4.000 . 5.000 4.562 3.790 5.181 0.181 15 0 "[ . 1 . 2]" 1
476 1 37 TYR QB 1 51 LEU QD 4.000 . 6.000 2.907 2.354 3.378 . 0 0 "[ . 1 . 2]" 1
477 1 51 LEU QD 1 61 LEU QD 4.000 . 5.000 2.225 1.785 2.922 0.015 6 0 "[ . 1 . 2]" 1
478 1 51 LEU HG 1 61 LEU QD 4.000 . 6.000 3.500 2.037 5.204 . 0 0 "[ . 1 . 2]" 1
479 1 50 GLN HA 1 51 LEU H 4.000 . 6.500 3.543 3.521 3.553 . 0 0 "[ . 1 . 2]" 1
480 1 50 GLN QB 1 51 LEU H 4.000 . 6.500 2.682 2.559 3.429 . 0 0 "[ . 1 . 2]" 1
481 1 51 LEU H 1 51 LEU HG 4.000 . 6.500 4.125 2.737 4.617 . 0 0 "[ . 1 . 2]" 1
482 1 51 LEU H 1 55 LEU H 4.000 . 6.500 6.033 5.614 6.361 . 0 0 "[ . 1 . 2]" 1
483 1 48 LYS HA 1 52 ALA MB 4.000 . 6.000 3.684 3.576 3.746 . 0 0 "[ . 1 . 2]" 1
484 1 49 PRO HA 1 52 ALA MB 3.500 . 3.800 2.982 2.501 3.267 . 0 0 "[ . 1 . 2]" 1
485 1 51 LEU QD 1 52 ALA MB 4.000 . 5.000 3.171 2.140 3.580 . 0 0 "[ . 1 . 2]" 1
486 1 51 LEU H 1 52 ALA MB 4.000 . 6.000 4.394 4.240 4.503 . 0 0 "[ . 1 . 2]" 1
487 1 52 ALA MB 1 53 ARG H 3.500 . 3.800 2.494 2.303 2.605 . 0 0 "[ . 1 . 2]" 1
488 1 52 ALA MB 1 61 LEU QD 3.500 . 3.800 3.516 2.158 3.901 0.101 10 0 "[ . 1 . 2]" 1
489 1 48 LYS HA 1 52 ALA H 4.000 . 6.500 4.104 3.560 4.426 . 0 0 "[ . 1 . 2]" 1
490 1 49 PRO QB 1 52 ALA H 4.000 . 6.500 4.420 4.310 4.575 . 0 0 "[ . 1 . 2]" 1
491 1 51 LEU QB 1 52 ALA H 4.000 . 6.500 2.458 2.282 2.581 . 0 0 "[ . 1 . 2]" 1
492 1 51 LEU QD 1 52 ALA H 4.000 . 6.500 3.227 2.649 3.814 . 0 0 "[ . 1 . 2]" 1
493 1 51 LEU HG 1 52 ALA H 4.000 . 6.500 4.400 3.438 5.020 . 0 0 "[ . 1 . 2]" 1
494 1 51 LEU H 1 52 ALA H 4.000 . 5.000 2.719 2.613 2.818 . 0 0 "[ . 1 . 2]" 1
495 1 52 ALA H 1 52 ALA MB 2.500 . 2.700 2.221 2.161 2.268 . 0 0 "[ . 1 . 2]" 1
496 1 52 ALA H 1 53 ARG QB 4.000 . 6.500 4.442 4.284 4.668 . 0 0 "[ . 1 . 2]" 1
497 1 52 ALA H 1 53 ARG H 4.000 . 5.000 2.643 2.555 2.728 . 0 0 "[ . 1 . 2]" 1
498 1 52 ALA H 1 55 LEU QB 4.000 . 6.500 5.216 4.624 6.301 . 0 0 "[ . 1 . 2]" 1
499 1 52 ALA H 1 61 LEU QD 4.000 . 6.000 4.186 2.975 5.126 . 0 0 "[ . 1 . 2]" 1
500 1 53 ARG QB 1 54 TYR H 4.000 . 5.000 2.507 2.320 2.865 . 0 0 "[ . 1 . 2]" 1
501 1 53 ARG HA 1 53 ARG QD 4.000 . 6.000 3.563 2.115 4.187 . 0 0 "[ . 1 . 2]" 1
502 1 53 ARG H 1 53 ARG QD 4.000 . 6.000 4.340 3.683 4.717 . 0 0 "[ . 1 . 2]" 1
503 1 53 ARG H 1 53 ARG QG 4.000 . 4.000 3.573 2.189 4.067 0.067 9 0 "[ . 1 . 2]" 1
504 1 53 ARG QG 1 54 TYR HA 4.000 . 6.000 4.207 3.536 5.809 . 0 0 "[ . 1 . 2]" 1
505 1 49 PRO HA 1 53 ARG H 4.000 . 6.500 3.946 3.577 4.253 . 0 0 "[ . 1 . 2]" 1
506 1 51 LEU H 1 53 ARG H 4.000 . 6.500 4.135 4.010 4.303 . 0 0 "[ . 1 . 2]" 1
507 1 52 ALA HA 1 53 ARG H 4.000 . 6.500 3.565 3.545 3.580 . 0 0 "[ . 1 . 2]" 1
508 1 53 ARG H 1 53 ARG QB 3.500 . 4.000 2.294 2.199 2.429 . 0 0 "[ . 1 . 2]" 1
509 1 53 ARG H 1 54 TYR QD 4.000 . 6.500 6.459 6.340 6.552 0.052 20 0 "[ . 1 . 2]" 1
510 1 53 ARG H 1 54 TYR H 4.000 . 5.000 2.775 2.680 2.875 . 0 0 "[ . 1 . 2]" 1
511 1 54 TYR QB 1 55 LEU H 4.000 . 6.000 2.281 2.196 2.371 . 0 0 "[ . 1 . 2]" 1
512 1 17 TRP HZ2 1 54 TYR QD 4.000 . 5.000 2.776 2.269 3.388 . 0 0 "[ . 1 . 2]" 1
513 1 54 TYR HA 1 54 TYR QD 4.000 . 5.000 2.893 2.483 3.053 . 0 0 "[ . 1 . 2]" 1
514 1 54 TYR QD 1 55 LEU HG 4.000 . 6.000 3.426 2.220 5.201 . 0 0 "[ . 1 . 2]" 1
515 1 17 TRP HZ2 1 54 TYR QE 4.000 . 6.000 2.426 2.243 3.119 . 0 0 "[ . 1 . 2]" 1
516 1 51 LEU HA 1 54 TYR H 4.000 . 6.500 3.746 3.476 3.986 . 0 0 "[ . 1 . 2]" 1
517 1 51 LEU QD 1 54 TYR H 4.000 . 6.500 4.127 3.552 4.632 . 0 0 "[ . 1 . 2]" 1
518 1 52 ALA MB 1 54 TYR H 4.000 . 6.000 4.536 4.218 4.744 . 0 0 "[ . 1 . 2]" 1
519 1 53 ARG HA 1 54 TYR H 4.000 . 6.500 3.562 3.495 3.582 . 0 0 "[ . 1 . 2]" 1
520 1 53 ARG QG 1 54 TYR H 4.000 . 6.500 3.754 3.482 4.199 . 0 0 "[ . 1 . 2]" 1
521 1 54 TYR H 1 54 TYR QD 4.000 . 5.000 4.171 4.097 4.261 . 0 0 "[ . 1 . 2]" 1
522 1 54 TYR H 1 54 TYR QE 4.000 . 6.500 6.213 6.147 6.293 . 0 0 "[ . 1 . 2]" 1
523 1 54 TYR H 1 56 GLY H 4.000 . 5.000 3.665 3.055 4.152 . 0 0 "[ . 1 . 2]" 1
524 1 55 LEU HA 1 55 LEU QD 4.000 . 5.000 2.121 1.892 3.370 . 0 0 "[ . 1 . 2]" 1
525 1 55 LEU QB 1 56 GLY H 4.000 . 5.000 3.306 2.523 3.866 . 0 0 "[ . 1 . 2]" 1
526 1 55 LEU QB 1 59 MET H 4.000 . 6.000 3.564 2.705 4.546 . 0 0 "[ . 1 . 2]" 1
527 1 17 TRP HH2 1 55 LEU QD 4.000 . 6.000 2.989 2.407 3.672 . 0 0 "[ . 1 . 2]" 1
528 1 51 LEU HA 1 55 LEU QD 4.000 . 5.000 4.066 3.274 5.025 0.025 18 0 "[ . 1 . 2]" 1
529 1 54 TYR QD 1 55 LEU QD 4.000 . 5.000 2.362 2.056 3.632 . 0 0 "[ . 1 . 2]" 1
530 1 55 LEU H 1 55 LEU QD 4.000 . 5.000 2.883 1.848 3.694 . 0 0 "[ . 1 . 2]" 1
531 1 17 TRP HZ2 1 55 LEU QD 4.000 . 6.000 2.414 2.092 2.775 . 0 0 "[ . 1 . 2]" 1
532 1 17 TRP HZ2 1 55 LEU H 4.000 . 6.500 5.622 4.751 6.355 . 0 0 "[ . 1 . 2]" 1
533 1 52 ALA HA 1 55 LEU H 4.000 . 6.500 3.582 3.319 3.787 . 0 0 "[ . 1 . 2]" 1
534 1 53 ARG H 1 55 LEU H 4.000 . 6.500 4.432 4.276 4.537 . 0 0 "[ . 1 . 2]" 1
535 1 54 TYR HA 1 55 LEU H 4.000 . 6.000 3.583 3.577 3.588 . 0 0 "[ . 1 . 2]" 1
536 1 54 TYR QD 1 55 LEU H 4.000 . 6.500 3.355 2.941 3.640 . 0 0 "[ . 1 . 2]" 1
537 1 54 TYR H 1 55 LEU H 4.000 . 5.000 2.758 2.388 2.865 . 0 0 "[ . 1 . 2]" 1
538 1 55 LEU H 1 55 LEU HG 4.000 . 5.000 2.985 1.770 4.544 0.030 12 0 "[ . 1 . 2]" 1
539 1 51 LEU QD 1 56 GLY H 4.000 . 5.000 3.788 3.279 4.162 . 0 0 "[ . 1 . 2]" 1
540 1 52 ALA MB 1 56 GLY H 4.000 . 5.000 4.497 3.592 5.078 0.078 14 0 "[ . 1 . 2]" 1
541 1 53 ARG HA 1 56 GLY H 3.500 . 4.000 3.555 3.202 4.256 0.256 18 0 "[ . 1 . 2]" 1
542 1 54 TYR HA 1 56 GLY H 4.000 . 6.500 3.960 3.428 4.602 . 0 0 "[ . 1 . 2]" 1
543 1 54 TYR QD 1 56 GLY H 4.000 . 6.500 4.951 4.633 5.382 . 0 0 "[ . 1 . 2]" 1
544 1 55 LEU QD 1 56 GLY H 4.000 . 6.500 4.126 3.314 4.424 . 0 0 "[ . 1 . 2]" 1
545 1 55 LEU H 1 56 GLY H 3.500 . 4.000 2.543 2.137 2.779 . 0 0 "[ . 1 . 2]" 1
546 1 56 GLY H 1 56 GLY QA 2.500 . 2.900 2.244 2.235 2.308 . 0 0 "[ . 1 . 2]" 1
547 1 56 GLY H 1 61 LEU QD 4.000 . 6.500 5.008 3.817 6.354 . 0 0 "[ . 1 . 2]" 1
548 1 56 GLY H 1 57 GLY H 4.000 . 5.000 3.658 2.671 4.698 . 0 0 "[ . 1 . 2]" 1
549 1 57 GLY H 1 58 SER H 4.000 . 5.000 2.791 1.845 3.868 . 0 0 "[ . 1 . 2]" 1
550 1 58 SER HA 1 59 MET H 4.000 . 6.000 3.462 3.213 3.533 . 0 0 "[ . 1 . 2]" 1
551 1 58 SER H 1 58 SER QB 2.500 . 2.900 2.527 2.287 2.856 . 0 0 "[ . 1 . 2]" 1
552 1 58 SER QB 1 59 MET H 3.500 . 4.000 3.319 2.729 3.934 . 0 0 "[ . 1 . 2]" 1
553 1 55 LEU QD 1 58 SER H 4.000 . 6.500 4.095 2.486 4.798 . 0 0 "[ . 1 . 2]" 1
554 1 57 GLY QA 1 58 SER H 3.500 . 4.000 2.740 2.428 2.936 . 0 0 "[ . 1 . 2]" 1
555 1 58 SER H 1 58 SER HA 2.500 . 2.900 2.923 2.835 2.994 0.094 5 0 "[ . 1 . 2]" 1
556 1 58 SER H 1 59 MET H 2.500 . 2.900 2.382 1.887 2.720 . 0 0 "[ . 1 . 2]" 1
557 1 59 MET HA 1 60 ASP QB 4.000 . 6.000 4.284 4.048 4.599 . 0 0 "[ . 1 . 2]" 1
558 1 59 MET HA 1 60 ASP H 2.500 . 2.900 2.371 2.196 2.570 . 0 0 "[ . 1 . 2]" 1
559 1 13 LEU HA 1 59 MET ME 4.000 . 5.000 3.474 2.366 4.914 . 0 0 "[ . 1 . 2]" 1
560 1 13 LEU QD 1 59 MET ME 4.000 . 5.000 3.663 2.384 5.109 0.109 10 0 "[ . 1 . 2]" 1
561 1 14 PRO HA 1 59 MET ME 4.000 . 6.000 4.602 2.817 6.097 0.097 20 0 "[ . 1 . 2]" 1
562 1 14 PRO QD 1 59 MET ME 4.000 . 5.000 3.038 2.042 5.008 0.008 15 0 "[ . 1 . 2]" 1
563 1 55 LEU QD 1 59 MET ME 2.500 . 2.700 2.447 1.788 2.905 0.205 4 0 "[ . 1 . 2]" 1
564 1 55 LEU QD 1 59 MET ME 4.000 . 6.000 3.404 2.339 5.037 . 0 0 "[ . 1 . 2]" 1
565 1 59 MET H 1 59 MET ME 4.000 . 6.000 4.999 3.643 5.386 . 0 0 "[ . 1 . 2]" 1
566 1 59 MET ME 1 60 ASP QB 4.000 . 6.000 5.367 3.801 6.096 0.096 9 0 "[ . 1 . 2]" 1
567 1 59 MET ME 1 60 ASP H 4.000 . 6.000 4.168 2.825 4.928 . 0 0 "[ . 1 . 2]" 1
568 1 59 MET ME 1 61 LEU QD . . 3.800 2.657 1.816 3.780 . 0 0 "[ . 1 . 2]" 1
569 1 55 LEU QD 1 59 MET QG 4.000 . 6.000 2.866 2.012 3.968 . 0 0 "[ . 1 . 2]" 1
570 1 59 MET ME 1 59 MET QG 2.500 . 2.700 2.226 2.157 2.397 . 0 0 "[ . 1 . 2]" 1
571 1 59 MET H 1 59 MET QG 4.000 . 6.000 3.596 2.309 4.254 . 0 0 "[ . 1 . 2]" 1
572 1 55 LEU QD 1 59 MET H 4.000 . 6.500 3.548 2.116 4.117 . 0 0 "[ . 1 . 2]" 1
573 1 57 GLY H 1 59 MET H 4.000 . 6.500 4.036 2.732 4.983 . 0 0 "[ . 1 . 2]" 1
574 1 59 MET H 1 59 MET QB 3.500 . 4.000 2.956 2.597 3.465 . 0 0 "[ . 1 . 2]" 1
575 1 60 ASP H 1 60 ASP QB 3.500 . 4.000 2.409 2.283 2.792 . 0 0 "[ . 1 . 2]" 1
576 1 59 MET QB 1 60 ASP H 3.500 . 4.000 3.006 2.261 3.522 . 0 0 "[ . 1 . 2]" 1
577 1 59 MET QG 1 60 ASP H 4.000 . 6.000 3.126 1.774 4.419 0.026 5 0 "[ . 1 . 2]" 1
578 1 59 MET H 1 60 ASP H 4.000 . 6.500 4.327 3.914 4.385 . 0 0 "[ . 1 . 2]" 1
579 1 60 ASP H 1 61 LEU H 4.000 . 6.500 4.368 4.160 4.673 . 0 0 "[ . 1 . 2]" 1
580 1 61 LEU HA 1 61 LEU QD . . 3.800 2.130 1.934 2.497 . 0 0 "[ . 1 . 2]" 1
581 1 61 LEU HA 1 64 PHE QB 4.000 . 6.000 2.575 2.230 3.162 . 0 0 "[ . 1 . 2]" 1
582 1 48 LYS QE 1 61 LEU QB 4.000 . 6.000 3.735 2.081 5.908 . 0 0 "[ . 1 . 2]" 1
583 1 13 LEU QD 1 61 LEU QD 4.000 . 5.000 2.345 1.709 3.522 0.091 8 0 "[ . 1 . 2]" 1
584 1 59 MET QG 1 61 LEU QD 4.000 . 6.000 3.213 2.068 4.774 . 0 0 "[ . 1 . 2]" 1
585 1 59 MET H 1 61 LEU QD 4.000 . 6.000 3.835 3.293 4.318 . 0 0 "[ . 1 . 2]" 1
586 1 61 LEU QD 1 64 PHE QB 4.000 . 6.000 2.440 1.970 3.235 . 0 0 "[ . 1 . 2]" 1
587 1 48 LYS QD 1 61 LEU QD 3.500 . 3.800 3.364 2.154 3.848 0.048 7 0 "[ . 1 . 2]" 1
588 1 52 ALA HA 1 61 LEU QD 4.000 . 5.000 2.944 2.239 3.644 . 0 0 "[ . 1 . 2]" 1
589 1 61 LEU HA 1 61 LEU HG 4.000 . 6.000 2.898 2.237 3.638 . 0 0 "[ . 1 . 2]" 1
590 1 61 LEU H 1 61 LEU HG 4.000 . 6.000 3.437 2.440 4.593 . 0 0 "[ . 1 . 2]" 1
591 1 52 ALA HA 1 61 LEU H 4.000 . 6.500 4.489 3.124 6.431 . 0 0 "[ . 1 . 2]" 1
592 1 60 ASP HA 1 61 LEU H 3.500 . 4.000 2.216 2.190 2.327 . 0 0 "[ . 1 . 2]" 1
593 1 60 ASP QB 1 61 LEU H 4.000 . 6.500 3.713 3.335 4.019 . 0 0 "[ . 1 . 2]" 1
594 1 61 LEU H 1 61 LEU QD 4.000 . 6.000 2.904 1.995 3.436 . 0 0 "[ . 1 . 2]" 1
595 1 61 LEU H 1 62 SER HA 4.000 . 6.500 4.588 4.199 4.824 . 0 0 "[ . 1 . 2]" 1
596 1 61 LEU H 1 62 SER H 4.000 . 5.000 2.326 2.235 2.465 . 0 0 "[ . 1 . 2]" 1
597 1 60 ASP QB 1 62 SER H 4.000 . 6.500 3.535 2.851 4.305 . 0 0 "[ . 1 . 2]" 1
598 1 61 LEU HA 1 62 SER H 4.000 . 6.500 3.234 3.031 3.338 . 0 0 "[ . 1 . 2]" 1
599 1 61 LEU QB 1 62 SER H 4.000 . 6.500 3.465 3.293 3.718 . 0 0 "[ . 1 . 2]" 1
600 1 61 LEU QD 1 62 SER H 4.000 . 6.500 4.162 3.722 4.436 . 0 0 "[ . 1 . 2]" 1
601 1 61 LEU HG 1 62 SER H 4.000 . 6.500 4.996 4.488 5.691 . 0 0 "[ . 1 . 2]" 1
602 1 62 SER H 1 63 THR MG 4.000 . 6.500 4.423 4.050 4.671 . 0 0 "[ . 1 . 2]" 1
603 1 62 SER H 1 63 THR H 4.000 . 6.500 2.781 2.709 2.941 . 0 0 "[ . 1 . 2]" 1
604 1 63 THR HA 1 63 THR MG 3.500 . 3.800 2.331 2.197 2.463 . 0 0 "[ . 1 . 2]" 1
605 1 63 THR HA 1 64 PHE H 4.000 . 6.000 3.048 2.735 3.285 . 0 0 "[ . 1 . 2]" 1
606 1 63 THR H 1 63 THR MG 4.000 . 5.000 2.473 2.181 2.721 . 0 0 "[ . 1 . 2]" 1
607 1 62 SER HA 1 63 THR H 4.000 . 6.500 3.537 3.498 3.555 . 0 0 "[ . 1 . 2]" 1
608 1 62 SER QB 1 63 THR H 4.000 . 6.500 2.908 2.565 3.471 . 0 0 "[ . 1 . 2]" 1
609 1 63 THR H 1 63 THR HB 4.000 . 6.500 3.660 3.614 3.735 . 0 0 "[ . 1 . 2]" 1
610 1 63 THR H 1 64 PHE H 4.000 . 5.000 2.770 2.383 3.280 . 0 0 "[ . 1 . 2]" 1
611 1 61 LEU QD 1 64 PHE QD 4.000 . 6.000 3.098 2.318 3.794 . 0 0 "[ . 1 . 2]" 1
612 1 64 PHE H 1 64 PHE QD 4.000 . 6.000 4.223 4.157 4.304 . 0 0 "[ . 1 . 2]" 1
613 1 10 CYS QB 1 64 PHE QE 4.000 . 6.000 3.838 2.272 5.300 . 0 0 "[ . 1 . 2]" 1
614 1 12 ALA MB 1 64 PHE QE 4.000 . 6.000 2.600 2.047 3.882 . 0 0 "[ . 1 . 2]" 1
615 1 51 LEU QD 1 64 PHE QE 4.000 . 6.000 2.981 2.021 3.826 . 0 0 "[ . 1 . 2]" 1
616 1 64 PHE QE 1 71 MET ME 4.000 . 6.000 4.903 4.296 5.452 . 0 0 "[ . 1 . 2]" 1
617 1 48 LYS QE 1 64 PHE H 4.000 . 6.500 3.970 3.039 4.856 . 0 0 "[ . 1 . 2]" 1
618 1 61 LEU HA 1 64 PHE H 4.000 . 6.500 3.646 3.107 4.379 . 0 0 "[ . 1 . 2]" 1
619 1 61 LEU QB 1 64 PHE H 4.000 . 6.500 3.914 3.670 4.711 . 0 0 "[ . 1 . 2]" 1
620 1 61 LEU QD 1 64 PHE H 4.000 . 6.500 4.406 3.855 5.223 . 0 0 "[ . 1 . 2]" 1
621 1 61 LEU HG 1 64 PHE H 4.000 . 6.500 5.862 4.429 6.708 0.208 12 0 "[ . 1 . 2]" 1
622 1 62 SER HA 1 64 PHE H 4.000 . 6.500 3.686 3.449 3.897 . 0 0 "[ . 1 . 2]" 1
623 1 62 SER H 1 64 PHE H 4.000 . 6.500 4.228 3.889 4.818 . 0 0 "[ . 1 . 2]" 1
624 1 63 THR HB 1 64 PHE H 4.000 . 5.000 4.409 4.271 4.524 . 0 0 "[ . 1 . 2]" 1
625 1 63 THR MG 1 64 PHE H 4.000 . 6.500 4.283 4.058 4.378 . 0 0 "[ . 1 . 2]" 1
626 1 64 PHE H 1 65 ASP H 4.000 . 6.500 4.493 4.327 4.577 . 0 0 "[ . 1 . 2]" 1
627 1 64 PHE H 1 71 MET HA 4.000 . 5.000 5.010 4.820 5.174 0.174 12 0 "[ . 1 . 2]" 1
628 1 64 PHE H 1 72 LEU H 4.000 . 6.500 5.033 4.468 5.285 . 0 0 "[ . 1 . 2]" 1
629 1 64 PHE HA 1 65 ASP H 4.000 . 6.500 2.205 2.190 2.223 . 0 0 "[ . 1 . 2]" 1
630 1 64 PHE QB 1 65 ASP H 4.000 . 6.500 3.773 3.703 3.907 . 0 0 "[ . 1 . 2]" 1
631 1 64 PHE QD 1 65 ASP H 4.000 . 6.500 3.233 2.688 3.545 . 0 0 "[ . 1 . 2]" 1
632 1 65 ASP H 1 71 MET HA 4.000 . 6.500 2.887 2.514 3.169 . 0 0 "[ . 1 . 2]" 1
633 1 65 ASP H 1 72 LEU QB 4.000 . 6.500 4.611 3.902 5.644 . 0 0 "[ . 1 . 2]" 1
634 1 65 ASP H 1 72 LEU QD 4.000 . 6.500 5.201 3.185 5.997 . 0 0 "[ . 1 . 2]" 1
635 1 65 ASP H 1 72 LEU H 4.000 . 6.500 3.587 3.047 4.056 . 0 0 "[ . 1 . 2]" 1
636 1 48 LYS QB 1 66 PHE QB 4.000 . 6.000 3.048 2.051 3.925 . 0 0 "[ . 1 . 2]" 1
637 1 66 PHE QB 1 67 ARG QG 4.000 . 6.000 4.251 2.969 5.800 . 0 0 "[ . 1 . 2]" 1
638 1 65 ASP QB 1 66 PHE H 4.000 . 6.500 3.704 3.079 3.965 . 0 0 "[ . 1 . 2]" 1
639 1 66 PHE H 1 66 PHE QD 4.000 . 6.500 4.199 4.080 4.224 . 0 0 "[ . 1 . 2]" 1
640 1 35 VAL MG2 1 67 ARG QD 4.000 . 5.000 4.419 3.082 5.097 0.097 1 0 "[ . 1 . 2]" 1
641 1 67 ARG HA 1 67 ARG QD 4.000 . 6.000 2.451 2.095 4.184 . 0 0 "[ . 1 . 2]" 1
642 1 67 ARG H 1 67 ARG QD 4.000 . 6.000 3.589 1.985 4.669 . 0 0 "[ . 1 . 2]" 1
643 1 67 ARG QD 1 68 THR MG 4.000 . 6.000 4.608 2.418 5.359 . 0 0 "[ . 1 . 2]" 1
644 1 66 PHE HA 1 67 ARG H 4.000 . 6.500 3.561 3.526 3.580 . 0 0 "[ . 1 . 2]" 1
645 1 66 PHE QB 1 67 ARG H 4.000 . 6.500 2.525 2.348 2.737 . 0 0 "[ . 1 . 2]" 1
646 1 66 PHE QB 1 67 ARG H 4.000 . 6.500 2.407 1.918 2.719 . 0 0 "[ . 1 . 2]" 1
647 1 66 PHE QD 1 67 ARG H 4.000 . 6.500 3.463 2.710 3.768 . 0 0 "[ . 1 . 2]" 1
648 1 67 ARG H 1 67 ARG QG 4.000 . 6.500 2.957 1.805 4.064 . 0 0 "[ . 1 . 2]" 1
649 1 67 ARG H 1 68 THR MG 4.000 . 6.500 4.181 3.833 4.737 . 0 0 "[ . 1 . 2]" 1
650 1 67 ARG HA 1 68 THR MG 4.000 . 6.000 4.517 4.448 4.727 . 0 0 "[ . 1 . 2]" 1
651 1 68 THR MG 1 70 LYS QE 4.000 . 6.000 4.940 3.737 5.725 . 0 0 "[ . 1 . 2]" 1
652 1 67 ARG HA 1 68 THR H 4.000 . 6.500 3.559 3.526 3.572 . 0 0 "[ . 1 . 2]" 1
653 1 67 ARG H 1 68 THR H 4.000 . 6.500 2.736 2.662 2.823 . 0 0 "[ . 1 . 2]" 1
654 1 68 THR H 1 68 THR MG 4.000 . 6.000 2.240 2.048 2.766 . 0 0 "[ . 1 . 2]" 1
655 1 64 PHE QE 1 69 GLY H 4.000 . 6.500 4.421 4.172 4.613 . 0 0 "[ . 1 . 2]" 1
656 1 66 PHE QB 1 69 GLY H 4.000 . 6.500 4.666 4.493 4.777 . 0 0 "[ . 1 . 2]" 1
657 1 68 THR MG 1 69 GLY H 4.000 . 6.500 3.885 3.734 4.178 . 0 0 "[ . 1 . 2]" 1
658 1 68 THR H 1 69 GLY H 4.000 . 6.500 2.193 2.119 2.247 . 0 0 "[ . 1 . 2]" 1
659 1 69 GLY H 1 70 LYS H 4.000 . 6.500 2.690 2.581 2.889 . 0 0 "[ . 1 . 2]" 1
660 1 70 LYS HA 1 71 MET H 2.500 . 2.900 2.338 2.266 2.422 . 0 0 "[ . 1 . 2]" 1
661 1 70 LYS QB 1 70 LYS QE 4.000 . 6.000 3.257 2.145 3.661 . 0 0 "[ . 1 . 2]" 1
662 1 70 LYS QB 1 72 LEU QD 4.000 . 6.000 4.468 2.716 5.938 . 0 0 "[ . 1 . 2]" 1
663 1 70 LYS QD 1 71 MET H 4.000 . 6.000 4.627 3.386 5.374 . 0 0 "[ . 1 . 2]" 1
664 1 70 LYS QG 1 71 MET H 4.000 . 5.000 3.843 2.160 4.528 . 0 0 "[ . 1 . 2]" 1
665 1 70 LYS H 1 70 LYS QG 4.000 . 6.000 2.999 2.266 4.236 . 0 0 "[ . 1 . 2]" 1
666 1 12 ALA MB 1 71 MET ME 3.500 . 3.800 2.457 1.939 3.266 . 0 0 "[ . 1 . 2]" 1
667 1 13 LEU QD 1 71 MET ME 4.000 . 6.000 3.982 2.539 5.256 . 0 0 "[ . 1 . 2]" 1
668 1 60 ASP H 1 71 MET ME 4.000 . 6.000 4.684 3.935 5.676 . 0 0 "[ . 1 . 2]" 1
669 1 61 LEU HA 1 71 MET ME 4.000 . 5.000 3.090 2.317 3.747 . 0 0 "[ . 1 . 2]" 1
670 1 61 LEU QD 1 71 MET ME 2.500 . 2.700 2.734 2.557 2.842 0.142 5 0 "[ . 1 . 2]" 1
671 1 64 PHE HA 1 71 MET ME 4.000 . 6.000 3.867 3.296 4.235 . 0 0 "[ . 1 . 2]" 1
672 1 64 PHE QB 1 71 MET ME 4.000 . 5.000 3.032 2.314 3.776 . 0 0 "[ . 1 . 2]" 1
673 1 64 PHE QD 1 71 MET ME 4.000 . 5.000 3.331 2.948 3.879 . 0 0 "[ . 1 . 2]" 1
674 1 64 PHE H 1 71 MET ME 4.000 . 6.000 4.625 3.791 5.284 . 0 0 "[ . 1 . 2]" 1
675 1 71 MET HA 1 71 MET ME 4.000 . 6.000 3.784 3.511 4.271 . 0 0 "[ . 1 . 2]" 1
676 1 71 MET ME 1 71 MET QG 2.500 . 2.700 2.139 2.087 2.199 . 0 0 "[ . 1 . 2]" 1
677 1 71 MET ME 1 72 LEU H 4.000 . 6.000 4.731 3.387 5.361 . 0 0 "[ . 1 . 2]" 1
678 1 12 ALA MB 1 71 MET QG 3.500 . 3.800 3.074 1.884 3.783 . 0 0 "[ . 1 . 2]" 1
679 1 70 LYS HA 1 71 MET QG 4.000 . 6.000 5.501 3.676 6.038 0.038 6 0 "[ . 1 . 2]" 1
680 1 64 PHE QD 1 71 MET H 4.000 . 6.500 3.809 3.589 4.085 . 0 0 "[ . 1 . 2]" 1
681 1 70 LYS QB 1 71 MET H 3.500 . 4.000 2.742 2.498 3.533 . 0 0 "[ . 1 . 2]" 1
682 1 70 LYS H 1 71 MET H 4.000 . 6.500 4.454 4.361 4.545 . 0 0 "[ . 1 . 2]" 1
683 1 71 MET H 1 71 MET QG 3.500 . 4.000 3.791 2.470 4.073 0.073 19 0 "[ . 1 . 2]" 1
684 1 71 MET H 1 72 LEU H 4.000 . 6.500 4.525 4.369 4.643 . 0 0 "[ . 1 . 2]" 1
685 1 72 LEU HA 1 72 LEU HG 4.000 . 6.000 2.935 2.269 3.598 . 0 0 "[ . 1 . 2]" 1
686 1 72 LEU HA 1 72 LEU QD 3.500 . 3.800 2.255 1.903 3.290 . 0 0 "[ . 1 . 2]" 1
687 1 63 THR HB 1 72 LEU H 4.000 . 5.000 3.614 3.229 3.897 . 0 0 "[ . 1 . 2]" 1
688 1 63 THR MG 1 72 LEU H 4.000 . 6.500 5.063 4.713 5.313 . 0 0 "[ . 1 . 2]" 1
689 1 64 PHE QD 1 72 LEU H 4.000 . 6.500 4.578 4.029 5.232 . 0 0 "[ . 1 . 2]" 1
690 1 70 LYS HA 1 72 LEU H 4.000 . 6.500 6.071 5.797 6.359 . 0 0 "[ . 1 . 2]" 1
691 1 71 MET QB 1 72 LEU H 4.000 . 6.500 3.646 2.841 3.919 . 0 0 "[ . 1 . 2]" 1
692 1 71 MET QG 1 72 LEU H 4.000 . 6.500 3.015 2.181 4.050 . 0 0 "[ . 1 . 2]" 1
693 1 72 LEU H 1 72 LEU QB 3.500 . 4.000 2.617 2.151 3.182 . 0 0 "[ . 1 . 2]" 1
694 1 72 LEU H 1 72 LEU QD 4.000 . 5.000 3.704 2.469 4.039 . 0 0 "[ . 1 . 2]" 1
695 1 72 LEU H 1 72 LEU HG 4.000 . 5.000 4.380 2.507 4.859 . 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 32
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 113.024
_Distance_constraint_stats_list.Viol_max 0.380
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.1378
_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 6 LYS 4.582 0.380 17 0 "[ . 1 . 2]"
1 8 TRP 0.599 0.263 15 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.599 0.263 15 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 4.582 0.380 17 0 "[ . 1 . 2]"
1 22 VAL 0.284 0.239 10 0 "[ . 1 . 2]"
1 24 ARG 0.187 0.187 17 0 "[ . 1 . 2]"
1 32 HIS 0.187 0.187 17 0 "[ . 1 . 2]"
1 34 ASP 0.284 0.239 10 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 LYS O 1 52 ALA H 2.300 . 2.500 2.103 1.745 2.359 . 0 0 "[ . 1 . 2]" 2
2 1 48 LYS O 1 52 ALA N 3.300 2.300 3.500 3.053 2.720 3.283 . 0 0 "[ . 1 . 2]" 2
3 1 49 PRO O 1 53 ARG H 2.300 . 2.500 1.955 1.762 2.166 . 0 0 "[ . 1 . 2]" 2
4 1 49 PRO O 1 53 ARG N 3.300 2.300 3.500 2.897 2.715 3.095 . 0 0 "[ . 1 . 2]" 2
5 1 50 GLN O 1 54 TYR H 2.300 . 2.500 2.040 1.868 2.292 . 0 0 "[ . 1 . 2]" 2
6 1 50 GLN O 1 54 TYR N 3.300 2.300 3.500 2.962 2.796 3.247 . 0 0 "[ . 1 . 2]" 2
7 1 51 LEU O 1 55 LEU H 2.300 . 2.500 2.072 1.804 2.307 . 0 0 "[ . 1 . 2]" 2
8 1 51 LEU O 1 55 LEU N 3.300 2.300 3.500 3.030 2.725 3.279 . 0 0 "[ . 1 . 2]" 2
9 1 24 ARG H 1 32 HIS O 2.300 . 2.500 2.204 1.735 2.687 0.187 17 0 "[ . 1 . 2]" 2
10 1 24 ARG N 1 32 HIS O 3.300 2.300 3.500 3.070 2.664 3.417 . 0 0 "[ . 1 . 2]" 2
11 1 22 VAL O 1 34 ASP H 2.300 . 2.500 2.194 1.880 2.739 0.239 10 0 "[ . 1 . 2]" 2
12 1 22 VAL O 1 34 ASP N 3.300 2.300 3.500 3.065 2.773 3.545 0.045 10 0 "[ . 1 . 2]" 2
13 1 22 VAL H 1 34 ASP O 2.300 . 2.500 2.048 1.780 2.289 . 0 0 "[ . 1 . 2]" 2
14 1 22 VAL N 1 34 ASP O 3.300 2.300 3.500 2.980 2.731 3.182 . 0 0 "[ . 1 . 2]" 2
15 1 20 GLU O 1 36 PHE H 2.300 . 2.500 2.176 1.999 2.316 . 0 0 "[ . 1 . 2]" 2
16 1 20 GLU O 1 36 PHE N 3.300 2.300 3.500 3.109 2.847 3.266 . 0 0 "[ . 1 . 2]" 2
17 1 20 GLU H 1 36 PHE O 2.300 . 2.500 2.218 1.994 2.455 . 0 0 "[ . 1 . 2]" 2
18 1 20 GLU N 1 36 PHE O 3.300 2.300 3.500 3.104 2.812 3.348 . 0 0 "[ . 1 . 2]" 2
19 1 18 GLU O 1 38 TYR H 2.300 . 2.500 1.987 1.715 2.299 . 0 0 "[ . 1 . 2]" 2
20 1 18 GLU O 1 38 TYR N 3.300 2.300 3.500 2.940 2.689 3.239 . 0 0 "[ . 1 . 2]" 2
21 1 18 GLU H 1 38 TYR O 2.300 . 2.500 2.163 1.843 2.325 . 0 0 "[ . 1 . 2]" 2
22 1 18 GLU N 1 38 TYR O 3.300 2.300 3.500 3.108 2.818 3.240 . 0 0 "[ . 1 . 2]" 2
23 1 8 TRP H 1 19 ARG O 2.300 . 2.500 2.098 1.827 2.328 . 0 0 "[ . 1 . 2]" 2
24 1 8 TRP N 1 19 ARG O 3.300 2.300 3.500 2.922 2.352 3.210 . 0 0 "[ . 1 . 2]" 2
25 1 8 TRP O 1 19 ARG H 2.300 . 2.500 2.330 1.909 2.763 0.263 15 0 "[ . 1 . 2]" 2
26 1 8 TRP O 1 19 ARG N 3.300 2.300 3.500 3.226 2.827 3.573 0.073 8 0 "[ . 1 . 2]" 2
27 1 6 LYS H 1 21 GLU O 2.300 . 2.500 2.547 2.224 2.772 0.272 16 0 "[ . 1 . 2]" 2
28 1 6 LYS N 1 21 GLU O 3.300 2.300 3.500 3.463 3.164 3.751 0.251 16 0 "[ . 1 . 2]" 2
29 1 6 LYS O 1 21 GLU H 2.300 . 2.500 2.460 2.147 2.880 0.380 17 0 "[ . 1 . 2]" 2
30 1 6 LYS O 1 21 GLU N 3.300 2.300 3.500 3.292 3.059 3.638 0.138 3 0 "[ . 1 . 2]" 2
31 1 37 TYR O 1 45 PHE H 2.300 . 2.500 2.253 2.083 2.318 . 0 0 "[ . 1 . 2]" 2
32 1 37 TYR O 1 45 PHE N 3.300 2.300 3.500 3.201 3.023 3.296 . 0 0 "[ . 1 . 2]" 2
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