NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382400 |
1ji9   |
5066 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ji9
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 327
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 6.043
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0529
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.1162
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.000 0.000 . 0 "[ ]"
1 2 SER 0.124 0.124 1 0 "[ ]"
1 3 CYS 0.124 0.124 1 0 "[ ]"
1 4 CYS 0.239 0.239 1 0 "[ ]"
1 5 SER 0.000 0.000 . 0 "[ ]"
1 6 CYS 0.596 0.328 1 0 "[ ]"
1 7 CYS 0.485 0.250 1 0 "[ ]"
1 8 PRO 0.050 0.040 1 0 "[ ]"
1 9 ALA 0.010 0.010 1 0 "[ ]"
1 10 GLY 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.760 0.234 1 0 "[ ]"
1 12 GLU 0.209 0.196 1 0 "[ ]"
1 13 LYS 0.502 0.220 1 0 "[ ]"
1 14 CYS 0.558 0.196 1 0 "[ ]"
1 15 ALA 0.329 0.121 1 0 "[ ]"
1 16 LYS 0.647 0.229 1 0 "[ ]"
1 17 ASP 0.424 0.180 1 0 "[ ]"
1 18 CYS 0.331 0.136 1 0 "[ ]"
1 19 VAL 0.443 0.181 1 0 "[ ]"
1 20 CYS 0.433 0.263 1 0 "[ ]"
1 21 LYS 0.187 0.187 1 0 "[ ]"
1 22 GLY 0.201 0.187 1 0 "[ ]"
1 23 GLU 0.071 0.071 1 0 "[ ]"
1 24 GLU 0.206 0.136 1 0 "[ ]"
1 25 GLY 0.136 0.136 1 0 "[ ]"
1 26 ALA 0.323 0.219 1 0 "[ ]"
1 27 LYS 0.104 0.104 1 0 "[ ]"
1 28 ALA 0.187 0.187 1 0 "[ ]"
1 29 GLU 0.524 0.187 1 0 "[ ]"
1 30 ALA 0.213 0.117 1 0 "[ ]"
1 31 GLU 0.361 0.161 1 0 "[ ]"
1 32 LYS 0.163 0.078 1 0 "[ ]"
1 33 CYS 0.328 0.328 1 0 "[ ]"
1 34 SER 0.000 0.000 . 0 "[ ]"
1 35 CYS 0.184 0.184 1 0 "[ ]"
1 36 CYS 0.496 0.191 1 0 "[ ]"
1 37 GLN 0.294 0.191 1 0 "[ ]"
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 1 LYS HA 1 1 LYS QD 1.800 . 5.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
2 1 1 LYS HA 1 1 LYS QG 1.800 . 5.000 2.056 2.056 2.056 . 0 0 "[ ]" 1
3 1 1 LYS HA 1 2 SER H 1.800 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 1
4 1 1 LYS HA 1 9 ALA MB 1.800 . 5.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
5 1 1 LYS QB 1 2 SER H 1.800 . 3.300 2.647 2.647 2.647 . 0 0 "[ ]" 1
6 1 2 SER H 1 2 SER QB 1.800 . 3.300 2.200 2.200 2.200 . 0 0 "[ ]" 1
7 1 2 SER HA 1 3 CYS H 1.800 . 3.300 3.424 3.424 3.424 0.124 1 0 "[ ]" 1
8 1 2 SER HA 1 9 ALA HA 1.800 . 3.300 1.857 1.857 1.857 . 0 0 "[ ]" 1
9 1 2 SER HA 1 9 ALA MB 1.800 . 5.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
10 1 2 SER QB 1 3 CYS H 1.800 . 3.300 2.903 2.903 2.903 . 0 0 "[ ]" 1
11 1 2 SER QB 1 4 CYS H 1.800 . 5.000 2.619 2.619 2.619 . 0 0 "[ ]" 1
12 1 2 SER QB 1 9 ALA H 1.800 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
13 1 2 SER QB 1 9 ALA HA 1.800 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
14 1 2 SER QB 1 9 ALA MB 1.800 . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
15 1 3 CYS H 1 3 CYS QB 1.800 . 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 1
16 1 3 CYS H 1 9 ALA HA 1.800 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
17 1 3 CYS H 1 9 ALA MB 1.800 . 5.500 4.444 4.444 4.444 . 0 0 "[ ]" 1
18 1 4 CYS HA 1 5 SER H 1.800 . 3.300 2.247 2.247 2.247 . 0 0 "[ ]" 1
19 1 4 CYS HA 1 6 CYS H 1.800 . 3.300 3.539 3.539 3.539 0.239 1 0 "[ ]" 1
20 1 4 CYS QB 1 5 SER H 1.800 . 5.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
21 1 4 CYS QB 1 6 CYS H 1.800 . 3.300 2.239 2.239 2.239 . 0 0 "[ ]" 1
22 1 4 CYS QB 1 7 CYS H 1.800 . 5.000 1.802 1.802 1.802 . 0 0 "[ ]" 1
23 1 4 CYS QB 1 28 ALA MB 1.800 . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
24 1 5 SER H 1 6 CYS H 1.800 . 5.000 1.923 1.923 1.923 . 0 0 "[ ]" 1
25 1 5 SER HA 1 5 SER QB 1.800 . 2.700 2.544 2.544 2.544 . 0 0 "[ ]" 1
26 1 5 SER HA 1 6 CYS H 1.800 . 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
27 1 5 SER HA 1 7 CYS H 1.800 . 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
28 1 5 SER QB 1 6 CYS H 1.800 . 3.300 3.075 3.075 3.075 . 0 0 "[ ]" 1
29 1 6 CYS H 1 6 CYS QB 1.800 . 3.300 3.025 3.025 3.025 . 0 0 "[ ]" 1
30 1 6 CYS H 1 7 CYS H 1.800 . 2.700 2.146 2.146 2.146 . 0 0 "[ ]" 1
31 1 6 CYS HA 1 7 CYS H 1.800 . 3.300 3.268 3.268 3.268 . 0 0 "[ ]" 1
32 1 6 CYS HA 1 30 ALA MB 1.800 . 5.500 4.483 4.483 4.483 . 0 0 "[ ]" 1
33 1 6 CYS HA 1 31 GLU HA 1.800 . 5.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
34 1 6 CYS HA 1 32 LYS H 1.800 . 5.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
35 1 6 CYS HA 1 32 LYS HA 1.800 . 3.300 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
36 1 6 CYS HA 1 33 CYS H 1.800 . 3.300 3.628 3.628 3.628 0.328 1 0 "[ ]" 1
37 1 6 CYS QB 1 7 CYS H 1.800 . 3.800 3.718 3.718 3.718 . 0 0 "[ ]" 1
38 1 6 CYS QB 1 30 ALA MB 1.800 . 5.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
39 1 6 CYS QB 1 31 GLU HA 1.800 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
40 1 6 CYS QB 1 32 LYS H 1.800 . 5.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
41 1 6 CYS QB 1 32 LYS HA 1.800 . 3.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
42 1 6 CYS QB 1 33 CYS H 1.800 . 3.300 2.024 2.024 2.024 . 0 0 "[ ]" 1
43 1 6 CYS QB 1 33 CYS HA 1.800 . 5.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
44 1 6 CYS QB 1 33 CYS QB 1.800 . 3.800 2.382 2.382 2.382 . 0 0 "[ ]" 1
45 1 7 CYS H 1 7 CYS HA 1.800 . 2.700 2.950 2.950 2.950 0.250 1 0 "[ ]" 1
46 1 7 CYS H 1 7 CYS QB 1.800 . 2.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
47 1 7 CYS H 1 8 PRO QD 1.800 . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
48 1 7 CYS HA 1 8 PRO QD 1.800 . 2.700 1.821 1.821 1.821 . 0 0 "[ ]" 1
49 1 7 CYS HA 1 8 PRO QG 1.800 . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
50 1 7 CYS HA 1 11 CYS H 1.800 . 5.000 5.234 5.234 5.234 0.234 1 0 "[ ]" 1
51 1 7 CYS HA 1 11 CYS QB 1.800 . 5.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
52 1 7 CYS QB 1 8 PRO QD 1.800 . 3.300 2.366 2.366 2.366 . 0 0 "[ ]" 1
53 1 7 CYS QB 1 11 CYS H 1.800 . 5.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
54 1 8 PRO HA 1 8 PRO QD 1.800 . 5.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
55 1 8 PRO HA 1 9 ALA H 1.800 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
56 1 8 PRO QB 1 9 ALA H 1.800 . 3.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
57 1 8 PRO QD 1 8 PRO QG 1.800 . 3.300 1.940 1.940 1.940 . 0 0 "[ ]" 1
58 1 8 PRO QD 1 11 CYS QB 1.800 . 3.300 1.760 1.760 1.760 0.040 1 0 "[ ]" 1
59 1 8 PRO QG 1 11 CYS H 1.800 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
60 1 8 PRO QG 1 11 CYS QB 1.800 . 5.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
61 1 9 ALA H 1 9 ALA MB 1.800 . 3.200 2.032 2.032 2.032 . 0 0 "[ ]" 1
62 1 9 ALA HA 1 11 CYS H 1.800 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
63 1 9 ALA MB 1 10 GLY H 1.800 . 3.800 3.266 3.266 3.266 . 0 0 "[ ]" 1
64 1 9 ALA MB 1 11 CYS H 1.800 . 5.500 4.682 4.682 4.682 . 0 0 "[ ]" 1
65 1 10 GLY H 1 11 CYS H 1.800 . 3.300 2.221 2.221 2.221 . 0 0 "[ ]" 1
66 1 10 GLY H 1 11 CYS QB 1.800 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
67 1 10 GLY QA 1 11 CYS H 1.800 . 3.800 2.973 2.973 2.973 . 0 0 "[ ]" 1
68 1 11 CYS H 1 11 CYS HA 1.800 . 2.700 2.759 2.759 2.759 0.059 1 0 "[ ]" 1
69 1 11 CYS H 1 11 CYS QB 1.800 . 2.700 1.998 1.998 1.998 . 0 0 "[ ]" 1
70 1 11 CYS H 1 12 GLU H 1.800 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
71 1 11 CYS H 1 13 LYS H 1.800 . 5.000 5.220 5.220 5.220 0.220 1 0 "[ ]" 1
72 1 11 CYS H 1 14 CYS H 1.800 . 5.000 5.151 5.151 5.151 0.151 1 0 "[ ]" 1
73 1 11 CYS H 1 14 CYS QB 1.800 . 5.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
74 1 11 CYS HA 1 12 GLU H 1.800 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
75 1 11 CYS QB 1 12 GLU H 1.800 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
76 1 11 CYS QB 1 13 LYS H 1.800 . 5.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
77 1 11 CYS QB 1 14 CYS H 1.800 . 3.300 2.676 2.676 2.676 . 0 0 "[ ]" 1
78 1 11 CYS QB 1 14 CYS QB 1.800 . 3.300 1.745 1.745 1.745 0.055 1 0 "[ ]" 1
79 1 11 CYS QB 1 15 ALA H 1.800 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
80 1 12 GLU H 1 12 GLU QB 1.800 . 2.700 1.997 1.997 1.997 . 0 0 "[ ]" 1
81 1 12 GLU H 1 12 GLU QG 1.800 . 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 1
82 1 12 GLU H 1 13 LYS H 1.800 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
83 1 12 GLU H 1 13 LYS HA 1.800 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
84 1 12 GLU H 1 13 LYS QB 1.800 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
85 1 12 GLU H 1 13 LYS QG 1.800 . 5.500 3.568 3.568 3.568 . 0 0 "[ ]" 1
86 1 12 GLU H 1 14 CYS H 1.800 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
87 1 12 GLU H 1 15 ALA MB 1.800 . 5.500 4.026 4.026 4.026 . 0 0 "[ ]" 1
88 1 12 GLU HA 1 12 GLU QB 1.800 . 2.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
89 1 12 GLU HA 1 12 GLU QG 1.800 . 3.300 2.000 2.000 2.000 . 0 0 "[ ]" 1
90 1 12 GLU HA 1 13 LYS H 1.800 . 3.300 3.282 3.282 3.282 . 0 0 "[ ]" 1
91 1 12 GLU HA 1 14 CYS H 1.800 . 3.300 3.496 3.496 3.496 0.196 1 0 "[ ]" 1
92 1 12 GLU HA 1 14 CYS QB 1.800 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
93 1 12 GLU QB 1 13 LYS H 1.800 . 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 1
94 1 12 GLU QB 1 14 CYS H 1.800 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
95 1 12 GLU QG 1 13 LYS H 1.800 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
96 1 13 LYS H 1 13 LYS QB 1.800 . 2.700 2.136 2.136 2.136 . 0 0 "[ ]" 1
97 1 13 LYS H 1 13 LYS QD 1.800 . 5.000 3.346 3.346 3.346 . 0 0 "[ ]" 1
98 1 13 LYS H 1 13 LYS QE 1.800 . 5.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
99 1 13 LYS H 1 13 LYS QG 1.800 . 3.300 2.247 2.247 2.247 . 0 0 "[ ]" 1
100 1 13 LYS H 1 14 CYS H 1.800 . 2.700 2.155 2.155 2.155 . 0 0 "[ ]" 1
101 1 13 LYS H 1 14 CYS HA 1.800 . 5.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
102 1 13 LYS H 1 14 CYS QB 1.800 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
103 1 13 LYS H 1 15 ALA H 1.800 . 3.300 3.405 3.405 3.405 0.105 1 0 "[ ]" 1
104 1 13 LYS H 1 19 VAL QG 1.800 . 5.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
105 1 13 LYS HA 1 13 LYS QB 1.800 . 2.700 2.418 2.418 2.418 . 0 0 "[ ]" 1
106 1 13 LYS HA 1 13 LYS QD 1.800 . 3.300 1.760 1.760 1.760 0.040 1 0 "[ ]" 1
107 1 13 LYS HA 1 13 LYS QG 1.800 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1
108 1 13 LYS HA 1 14 CYS H 1.800 . 3.300 3.393 3.393 3.393 0.093 1 0 "[ ]" 1
109 1 13 LYS HA 1 15 ALA H 1.800 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
110 1 13 LYS HA 1 19 VAL QG 1.800 . 5.500 2.891 2.891 2.891 . 0 0 "[ ]" 1
111 1 13 LYS QB 1 14 CYS H 1.800 . 2.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
112 1 13 LYS QB 1 15 ALA H 1.800 . 5.000 4.198 4.198 4.198 . 0 0 "[ ]" 1
113 1 13 LYS QB 1 19 VAL QG 1.800 . 3.800 1.856 1.856 1.856 . 0 0 "[ ]" 1
114 1 13 LYS QB 1 36 CYS HA 1.800 . 5.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
115 1 13 LYS QB 1 36 CYS QB 1.800 . 5.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
116 1 13 LYS QD 1 14 CYS H 1.800 . 5.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
117 1 13 LYS QD 1 19 VAL QG 1.800 . 5.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
118 1 13 LYS QD 1 36 CYS HA 1.800 . 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
119 1 13 LYS QD 1 36 CYS QB 1.800 . 5.500 3.823 3.823 3.823 . 0 0 "[ ]" 1
120 1 13 LYS QE 1 19 VAL QG 1.800 . 5.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
121 1 13 LYS QG 1 14 CYS H 1.800 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
122 1 13 LYS QG 1 19 VAL QG 1.800 . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
123 1 13 LYS QG 1 36 CYS HA 1.800 . 5.000 1.784 1.784 1.784 0.016 1 0 "[ ]" 1
124 1 13 LYS QG 1 36 CYS QB 1.800 . 5.500 1.785 1.785 1.785 0.015 1 0 "[ ]" 1
125 1 13 LYS QG 1 37 GLN H 1.800 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
126 1 14 CYS H 1 14 CYS QB 1.800 . 3.200 2.057 2.057 2.057 . 0 0 "[ ]" 1
127 1 14 CYS H 1 15 ALA H 1.800 . 2.700 2.040 2.040 2.040 . 0 0 "[ ]" 1
128 1 14 CYS H 1 15 ALA MB 1.800 . 3.800 3.400 3.400 3.400 . 0 0 "[ ]" 1
129 1 14 CYS H 1 19 VAL QG 1.800 . 5.500 3.324 3.324 3.324 . 0 0 "[ ]" 1
130 1 14 CYS HA 1 15 ALA H 1.800 . 3.300 3.295 3.295 3.295 . 0 0 "[ ]" 1
131 1 14 CYS HA 1 15 ALA HA 1.800 . 5.000 4.863 4.863 4.863 . 0 0 "[ ]" 1
132 1 14 CYS HA 1 15 ALA MB 1.800 . 5.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
133 1 14 CYS HA 1 16 LYS H 1.800 . 5.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
134 1 14 CYS HA 1 17 ASP H 1.800 . 5.000 3.234 3.234 3.234 . 0 0 "[ ]" 1
135 1 14 CYS HA 1 19 VAL H 1.800 . 3.300 1.916 1.916 1.916 . 0 0 "[ ]" 1
136 1 14 CYS HA 1 19 VAL HB 1.800 . 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 1
137 1 14 CYS HA 1 19 VAL QG 1.800 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
138 1 14 CYS HA 1 20 CYS H 1.800 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
139 1 14 CYS QB 1 15 ALA H 1.800 . 5.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
140 1 14 CYS QB 1 18 CYS HA 1.800 . 5.000 2.530 2.530 2.530 . 0 0 "[ ]" 1
141 1 14 CYS QB 1 19 VAL H 1.800 . 5.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
142 1 15 ALA H 1 15 ALA HA 1.800 . 2.700 2.821 2.821 2.821 0.121 1 0 "[ ]" 1
143 1 15 ALA H 1 15 ALA MB 1.800 . 3.200 1.858 1.858 1.858 . 0 0 "[ ]" 1
144 1 15 ALA H 1 16 LYS H 1.800 . 2.700 2.725 2.725 2.725 0.025 1 0 "[ ]" 1
145 1 15 ALA H 1 19 VAL QG 1.800 . 5.500 4.116 4.116 4.116 . 0 0 "[ ]" 1
146 1 15 ALA HA 1 16 LYS H 1.800 . 3.300 3.378 3.378 3.378 0.078 1 0 "[ ]" 1
147 1 15 ALA HA 1 17 ASP H 1.800 . 5.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
148 1 15 ALA MB 1 16 LYS H 1.800 . 3.800 3.083 3.083 3.083 . 0 0 "[ ]" 1
149 1 16 LYS H 1 16 LYS HA 1.800 . 2.700 2.929 2.929 2.929 0.229 1 0 "[ ]" 1
150 1 16 LYS H 1 16 LYS QB 1.800 . 2.700 2.179 2.179 2.179 . 0 0 "[ ]" 1
151 1 16 LYS H 1 16 LYS QD 1.800 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
152 1 16 LYS H 1 16 LYS QG 1.800 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
153 1 16 LYS H 1 17 ASP H 1.800 . 2.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
154 1 16 LYS H 1 17 ASP HA 1.800 . 5.000 4.624 4.624 4.624 . 0 0 "[ ]" 1
155 1 16 LYS H 1 17 ASP QB 1.800 . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
156 1 16 LYS HA 1 16 LYS QB 1.800 . 2.700 2.509 2.509 2.509 . 0 0 "[ ]" 1
157 1 16 LYS HA 1 16 LYS QD 1.800 . 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 1
158 1 16 LYS HA 1 17 ASP H 1.800 . 3.300 3.480 3.480 3.480 0.180 1 0 "[ ]" 1
159 1 16 LYS HA 1 18 CYS H 1.800 . 5.000 5.136 5.136 5.136 0.136 1 0 "[ ]" 1
160 1 16 LYS QB 1 17 ASP H 1.800 . 2.700 2.408 2.408 2.408 . 0 0 "[ ]" 1
161 1 16 LYS QD 1 17 ASP H 1.800 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
162 1 16 LYS QG 1 17 ASP H 1.800 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
163 1 17 ASP H 1 17 ASP HA 1.800 . 2.700 2.829 2.829 2.829 0.129 1 0 "[ ]" 1
164 1 17 ASP H 1 17 ASP QB 1.800 . 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 1
165 1 17 ASP H 1 18 CYS H 1.800 . 5.000 2.007 2.007 2.007 . 0 0 "[ ]" 1
166 1 17 ASP H 1 19 VAL QG 1.800 . 5.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
167 1 17 ASP HA 1 17 ASP QB 1.800 . 2.700 2.345 2.345 2.345 . 0 0 "[ ]" 1
168 1 17 ASP HA 1 18 CYS H 1.800 . 2.700 2.816 2.816 2.816 0.116 1 0 "[ ]" 1
169 1 17 ASP HA 1 18 CYS QB 1.800 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
170 1 17 ASP QB 1 18 CYS H 1.800 . 5.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
171 1 18 CYS H 1 18 CYS QB 1.800 . 3.200 2.840 2.840 2.840 . 0 0 "[ ]" 1
172 1 18 CYS H 1 19 VAL H 1.800 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
173 1 18 CYS H 1 19 VAL QG 1.800 . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
174 1 18 CYS HA 1 19 VAL H 1.800 . 2.700 2.332 2.332 2.332 . 0 0 "[ ]" 1
175 1 18 CYS HA 1 19 VAL QG 1.800 . 5.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
176 1 18 CYS HA 1 20 CYS H 1.800 . 3.300 3.379 3.379 3.379 0.079 1 0 "[ ]" 1
177 1 18 CYS QB 1 19 VAL H 1.800 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
178 1 18 CYS QB 1 20 CYS H 1.800 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
179 1 19 VAL H 1 19 VAL HB 1.800 . 3.300 3.481 3.481 3.481 0.181 1 0 "[ ]" 1
180 1 19 VAL H 1 19 VAL QG 1.800 . 3.200 1.678 1.678 1.678 0.122 1 0 "[ ]" 1
181 1 19 VAL H 1 20 CYS H 1.800 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 1
182 1 19 VAL HA 1 19 VAL HB 1.800 . 2.700 2.599 2.599 2.599 . 0 0 "[ ]" 1
183 1 19 VAL HA 1 19 VAL QG 1.800 . 3.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
184 1 19 VAL HB 1 19 VAL QG 1.800 . 2.700 1.898 1.898 1.898 . 0 0 "[ ]" 1
185 1 19 VAL HB 1 20 CYS H 1.800 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
186 1 19 VAL QG 1 20 CYS H 1.800 . 3.800 2.306 2.306 2.306 . 0 0 "[ ]" 1
187 1 19 VAL QG 1 35 CYS QB 1.800 . 5.500 3.193 3.193 3.193 . 0 0 "[ ]" 1
188 1 20 CYS H 1 20 CYS HA 1.800 . 2.700 2.963 2.963 2.963 0.263 1 0 "[ ]" 1
189 1 20 CYS H 1 20 CYS QB 1.800 . 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 1
190 1 20 CYS H 1 21 LYS H 1.800 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
191 1 20 CYS H 1 21 LYS QB 1.800 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
192 1 20 CYS H 1 21 LYS QG 1.800 . 5.500 4.693 4.693 4.693 . 0 0 "[ ]" 1
193 1 20 CYS HA 1 21 LYS H 1.800 . 3.300 3.160 3.160 3.160 . 0 0 "[ ]" 1
194 1 20 CYS HA 1 22 GLY H 1.800 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
195 1 20 CYS QB 1 21 LYS H 1.800 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
196 1 21 LYS H 1 21 LYS QB 1.800 . 3.300 1.964 1.964 1.964 . 0 0 "[ ]" 1
197 1 21 LYS H 1 21 LYS QD 1.800 . 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 1
198 1 21 LYS H 1 21 LYS QG 1.800 . 3.300 3.080 3.080 3.080 . 0 0 "[ ]" 1
199 1 21 LYS H 1 22 GLY H 1.800 . 3.300 2.885 2.885 2.885 . 0 0 "[ ]" 1
200 1 21 LYS HA 1 21 LYS QB 1.800 . 2.700 2.540 2.540 2.540 . 0 0 "[ ]" 1
201 1 21 LYS HA 1 21 LYS QD 1.800 . 3.300 2.588 2.588 2.588 . 0 0 "[ ]" 1
202 1 21 LYS HA 1 21 LYS QG 1.800 . 3.300 2.042 2.042 2.042 . 0 0 "[ ]" 1
203 1 21 LYS HA 1 22 GLY H 1.800 . 3.300 3.487 3.487 3.487 0.187 1 0 "[ ]" 1
204 1 21 LYS HA 1 22 GLY QA 1.800 . 5.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
205 1 21 LYS QB 1 22 GLY H 1.800 . 3.300 2.742 2.742 2.742 . 0 0 "[ ]" 1
206 1 21 LYS QB 1 22 GLY QA 1.800 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
207 1 21 LYS QD 1 22 GLY H 1.800 . 5.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
208 1 21 LYS QG 1 22 GLY H 1.800 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
209 1 22 GLY H 1 22 GLY QA 1.800 . 2.700 2.242 2.242 2.242 . 0 0 "[ ]" 1
210 1 22 GLY H 1 23 GLU H 1.800 . 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
211 1 22 GLY QA 1 23 GLU H 1.800 . 3.300 2.206 2.206 2.206 . 0 0 "[ ]" 1
212 1 22 GLY QA 1 26 ALA MB 1.800 . 5.500 3.799 3.799 3.799 . 0 0 "[ ]" 1
213 1 23 GLU H 1 23 GLU QB 1.800 . 2.700 2.078 2.078 2.078 . 0 0 "[ ]" 1
214 1 23 GLU H 1 23 GLU QG 1.800 . 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 1
215 1 23 GLU H 1 24 GLU H 1.800 . 3.300 3.251 3.251 3.251 . 0 0 "[ ]" 1
216 1 23 GLU HA 1 23 GLU QB 1.800 . 2.700 2.493 2.493 2.493 . 0 0 "[ ]" 1
217 1 23 GLU HA 1 23 GLU QG 1.800 . 3.300 2.019 2.019 2.019 . 0 0 "[ ]" 1
218 1 23 GLU HA 1 24 GLU H 1.800 . 2.700 2.771 2.771 2.771 0.071 1 0 "[ ]" 1
219 1 23 GLU QG 1 24 GLU H 1.800 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
220 1 24 GLU H 1 24 GLU QB 1.800 . 2.700 2.260 2.260 2.260 . 0 0 "[ ]" 1
221 1 24 GLU H 1 24 GLU QG 1.800 . 3.300 2.335 2.335 2.335 . 0 0 "[ ]" 1
222 1 24 GLU H 1 25 GLY H 1.800 . 3.300 3.294 3.294 3.294 . 0 0 "[ ]" 1
223 1 24 GLU H 1 26 ALA H 1.800 . 5.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
224 1 24 GLU HA 1 24 GLU QB 1.800 . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1
225 1 24 GLU HA 1 24 GLU QG 1.800 . 3.300 2.672 2.672 2.672 . 0 0 "[ ]" 1
226 1 24 GLU HA 1 25 GLY H 1.800 . 3.300 3.436 3.436 3.436 0.136 1 0 "[ ]" 1
227 1 24 GLU HA 1 25 GLY QA 1.800 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
228 1 24 GLU HA 1 26 ALA H 1.800 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
229 1 24 GLU QB 1 26 ALA H 1.800 . 5.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
230 1 24 GLU QG 1 26 ALA H 1.800 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
231 1 25 GLY H 1 26 ALA H 1.800 . 3.300 2.260 2.260 2.260 . 0 0 "[ ]" 1
232 1 25 GLY QA 1 26 ALA H 1.800 . 3.300 2.925 2.925 2.925 . 0 0 "[ ]" 1
233 1 25 GLY QA 1 26 ALA MB 1.800 . 5.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
234 1 26 ALA H 1 26 ALA HA 1.800 . 2.700 2.919 2.919 2.919 0.219 1 0 "[ ]" 1
235 1 26 ALA H 1 26 ALA MB 1.800 . 3.200 1.950 1.950 1.950 . 0 0 "[ ]" 1
236 1 26 ALA H 1 27 LYS H 1.800 . 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 1
237 1 26 ALA HA 1 27 LYS H 1.800 . 2.700 2.804 2.804 2.804 0.104 1 0 "[ ]" 1
238 1 26 ALA MB 1 27 LYS H 1.800 . 3.800 3.569 3.569 3.569 . 0 0 "[ ]" 1
239 1 27 LYS H 1 27 LYS QB 1.800 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
240 1 27 LYS H 1 27 LYS QD 1.800 . 5.000 1.821 1.821 1.821 . 0 0 "[ ]" 1
241 1 27 LYS H 1 27 LYS QG 1.800 . 3.300 3.043 3.043 3.043 . 0 0 "[ ]" 1
242 1 27 LYS HA 1 27 LYS QB 1.800 . 2.700 2.473 2.473 2.473 . 0 0 "[ ]" 1
243 1 27 LYS HA 1 27 LYS QD 1.800 . 3.300 2.992 2.992 2.992 . 0 0 "[ ]" 1
244 1 27 LYS HA 1 27 LYS QG 1.800 . 3.300 2.096 2.096 2.096 . 0 0 "[ ]" 1
245 1 28 ALA H 1 28 ALA MB 1.800 . 3.200 2.140 2.140 2.140 . 0 0 "[ ]" 1
246 1 28 ALA HA 1 29 GLU H 1.800 . 3.300 3.487 3.487 3.487 0.187 1 0 "[ ]" 1
247 1 28 ALA MB 1 29 GLU H 1.800 . 3.200 2.551 2.551 2.551 . 0 0 "[ ]" 1
248 1 29 GLU H 1 29 GLU QB 1.800 . 2.700 2.267 2.267 2.267 . 0 0 "[ ]" 1
249 1 29 GLU H 1 29 GLU QG 1.800 . 2.700 2.036 2.036 2.036 . 0 0 "[ ]" 1
250 1 29 GLU H 1 30 ALA H 1.800 . 2.700 2.759 2.759 2.759 0.059 1 0 "[ ]" 1
251 1 29 GLU HA 1 29 GLU QB 1.800 . 2.700 2.197 2.197 2.197 . 0 0 "[ ]" 1
252 1 29 GLU HA 1 29 GLU QG 1.800 . 3.300 3.244 3.244 3.244 . 0 0 "[ ]" 1
253 1 29 GLU HA 1 30 ALA H 1.800 . 3.300 3.417 3.417 3.417 0.117 1 0 "[ ]" 1
254 1 29 GLU HA 1 31 GLU H 1.800 . 3.300 3.461 3.461 3.461 0.161 1 0 "[ ]" 1
255 1 29 GLU QB 1 30 ALA H 1.800 . 3.300 3.273 3.273 3.273 . 0 0 "[ ]" 1
256 1 29 GLU QG 1 30 ALA H 1.800 . 3.300 1.822 1.822 1.822 . 0 0 "[ ]" 1
257 1 30 ALA H 1 30 ALA HA 1.800 . 2.700 2.737 2.737 2.737 0.037 1 0 "[ ]" 1
258 1 30 ALA H 1 30 ALA MB 1.800 . 3.200 2.134 2.134 2.134 . 0 0 "[ ]" 1
259 1 30 ALA H 1 31 GLU H 1.800 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 1
260 1 30 ALA HA 1 32 LYS H 1.800 . 5.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
261 1 30 ALA MB 1 31 GLU H 1.800 . 3.200 2.691 2.691 2.691 . 0 0 "[ ]" 1
262 1 31 GLU H 1 31 GLU QB 1.800 . 3.300 3.421 3.421 3.421 0.121 1 0 "[ ]" 1
263 1 31 GLU H 1 31 GLU QG 1.800 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
264 1 31 GLU H 1 32 LYS H 1.800 . 3.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
265 1 31 GLU HA 1 31 GLU QB 1.800 . 2.700 2.293 2.293 2.293 . 0 0 "[ ]" 1
266 1 31 GLU HA 1 31 GLU QG 1.800 . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 1
267 1 31 GLU HA 1 32 LYS H 1.800 . 3.300 3.378 3.378 3.378 0.078 1 0 "[ ]" 1
268 1 31 GLU HA 1 32 LYS HA 1.800 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
269 1 31 GLU HA 1 32 LYS QG 1.800 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
270 1 31 GLU QB 1 32 LYS H 1.800 . 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 1
271 1 31 GLU QG 1 32 LYS H 1.800 . 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
272 1 32 LYS H 1 32 LYS QB 1.800 . 3.300 3.128 3.128 3.128 . 0 0 "[ ]" 1
273 1 32 LYS H 1 32 LYS QD 1.800 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 1
274 1 32 LYS H 1 32 LYS QG 1.800 . 2.700 1.946 1.946 1.946 . 0 0 "[ ]" 1
275 1 32 LYS H 1 33 CYS H 1.800 . 5.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
276 1 32 LYS HA 1 32 LYS QD 1.800 . 3.300 3.356 3.356 3.356 0.056 1 0 "[ ]" 1
277 1 32 LYS HA 1 32 LYS QG 1.800 . 3.300 3.287 3.287 3.287 . 0 0 "[ ]" 1
278 1 32 LYS HA 1 33 CYS H 1.800 . 2.700 2.316 2.316 2.316 . 0 0 "[ ]" 1
279 1 32 LYS HA 1 37 GLN QE 1.800 . 5.500 4.603 4.603 4.603 . 0 0 "[ ]" 1
280 1 32 LYS QB 1 33 CYS H 1.800 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
281 1 32 LYS QB 1 37 GLN QE 1.800 . 5.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
282 1 32 LYS QD 1 33 CYS H 1.800 . 3.300 2.980 2.980 2.980 . 0 0 "[ ]" 1
283 1 32 LYS QD 1 37 GLN QE 1.800 . 5.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
284 1 32 LYS QG 1 37 GLN QE 1.800 . 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
285 1 33 CYS H 1 33 CYS QB 1.800 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
286 1 33 CYS H 1 34 SER H 1.800 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
287 1 33 CYS H 1 35 CYS H 1.800 . 5.000 4.885 4.885 4.885 . 0 0 "[ ]" 1
288 1 33 CYS HA 1 34 SER H 1.800 . 3.300 2.746 2.746 2.746 . 0 0 "[ ]" 1
289 1 33 CYS HA 1 34 SER QB 1.800 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
290 1 33 CYS HA 1 35 CYS H 1.800 . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
291 1 33 CYS QB 1 34 SER H 1.800 . 3.300 1.826 1.826 1.826 . 0 0 "[ ]" 1
292 1 33 CYS QB 1 34 SER QB 1.800 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
293 1 33 CYS QB 1 35 CYS H 1.800 . 3.300 2.590 2.590 2.590 . 0 0 "[ ]" 1
294 1 33 CYS QB 1 36 CYS H 1.800 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
295 1 34 SER H 1 34 SER QB 1.800 . 3.300 2.409 2.409 2.409 . 0 0 "[ ]" 1
296 1 34 SER H 1 35 CYS H 1.800 . 2.700 2.252 2.252 2.252 . 0 0 "[ ]" 1
297 1 34 SER H 1 35 CYS HA 1.800 . 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
298 1 34 SER H 1 35 CYS QB 1.800 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
299 1 34 SER H 1 36 CYS H 1.800 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
300 1 34 SER HA 1 34 SER QB 1.800 . 2.700 2.340 2.340 2.340 . 0 0 "[ ]" 1
301 1 34 SER HA 1 35 CYS H 1.800 . 3.300 3.135 3.135 3.135 . 0 0 "[ ]" 1
302 1 34 SER HA 1 37 GLN H 1.800 . 5.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
303 1 34 SER HA 1 37 GLN QE 1.800 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
304 1 34 SER HA 1 37 GLN QG 1.800 . 3.300 2.182 2.182 2.182 . 0 0 "[ ]" 1
305 1 34 SER QB 1 35 CYS H 1.800 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
306 1 35 CYS H 1 35 CYS QB 1.800 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 1
307 1 35 CYS H 1 36 CYS H 1.800 . 2.700 2.102 2.102 2.102 . 0 0 "[ ]" 1
308 1 35 CYS H 1 36 CYS HA 1.800 . 5.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
309 1 35 CYS H 1 36 CYS QB 1.800 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
310 1 35 CYS H 1 37 GLN H 1.800 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
311 1 35 CYS HA 1 35 CYS QB 1.800 . 2.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
312 1 35 CYS HA 1 36 CYS H 1.800 . 3.300 3.484 3.484 3.484 0.184 1 0 "[ ]" 1
313 1 35 CYS HA 1 37 GLN H 1.800 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
314 1 35 CYS QB 1 36 CYS H 1.800 . 3.300 2.877 2.877 2.877 . 0 0 "[ ]" 1
315 1 36 CYS H 1 36 CYS QB 1.800 . 2.700 2.281 2.281 2.281 . 0 0 "[ ]" 1
316 1 36 CYS H 1 37 GLN H 1.800 . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1
317 1 36 CYS H 1 37 GLN HA 1.800 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
318 1 36 CYS H 1 37 GLN QG 1.800 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
319 1 36 CYS HA 1 37 GLN H 1.800 . 3.300 3.491 3.491 3.491 0.191 1 0 "[ ]" 1
320 1 36 CYS HA 1 37 GLN HA 1.800 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
321 1 36 CYS QB 1 37 GLN H 1.800 . 5.000 2.326 2.326 2.326 . 0 0 "[ ]" 1
322 1 37 GLN H 1 37 GLN HA 1.800 . 2.700 2.713 2.713 2.713 0.013 1 0 "[ ]" 1
323 1 37 GLN H 1 37 GLN QB 1.800 . 3.200 2.510 2.510 2.510 . 0 0 "[ ]" 1
324 1 37 GLN H 1 37 GLN QG 1.800 . 3.300 1.937 1.937 1.937 . 0 0 "[ ]" 1
325 1 37 GLN HA 1 37 GLN QB 1.800 . 2.700 2.390 2.390 2.390 . 0 0 "[ ]" 1
326 1 37 GLN HA 1 37 GLN QE 1.800 . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
327 1 37 GLN HA 1 37 GLN QG 1.800 . 3.300 2.415 2.415 2.415 . 0 0 "[ ]" 1
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