NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621318 |
5v2g   |
30267 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5v2g
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 295
_Distance_constraint_stats_list.Viol_count 442
_Distance_constraint_stats_list.Viol_total 1735.581
_Distance_constraint_stats_list.Viol_max 1.469
_Distance_constraint_stats_list.Viol_rms 0.0706
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.1963
_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 2.788 0.161 11 0 "[ . 1 . 2]"
1 2 ASN 5.146 0.232 8 0 "[ . 1 . 2]"
1 3 PRO 0.112 0.076 8 0 "[ . 1 . 2]"
1 4 GLU 0.224 0.132 14 0 "[ . 1 . 2]"
1 5 ALA 0.922 0.107 1 0 "[ . 1 . 2]"
1 6 GLU 0.638 0.237 15 0 "[ . 1 . 2]"
1 7 GLU 6.821 1.469 7 3 "[ . + 1* . -2]"
1 8 ILE 2.272 0.232 8 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 3.327 0.241 9 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.216 0.193 17 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 3.494 1.469 7 3 "[ . + 1* . -2]"
1 15 LEU 0.216 0.193 17 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 8.746 0.482 11 0 "[ . 1 . 2]"
1 19 SER 15.749 0.482 11 0 "[ . 1 . 2]"
1 20 SER 7.003 0.375 15 0 "[ . 1 . 2]"
2 1 LYS 2.820 0.160 11 0 "[ . 1 . 2]"
2 2 ASN 5.091 0.216 8 0 "[ . 1 . 2]"
2 3 PRO 0.100 0.077 8 0 "[ . 1 . 2]"
2 4 GLU 0.243 0.149 14 0 "[ . 1 . 2]"
2 5 ALA 0.945 0.104 19 0 "[ . 1 . 2]"
2 6 GLU 0.616 0.238 15 0 "[ . 1 . 2]"
2 7 GLU 6.733 1.465 7 3 "[ . + 1* . -2]"
2 8 ILE 2.174 0.216 8 0 "[ . 1 . 2]"
2 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ARG 3.231 0.238 9 0 "[ . 1 . 2]"
2 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LYS 0.217 0.191 17 0 "[ . 1 . 2]"
2 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LEU 3.502 1.465 7 3 "[ . + 1* . -2]"
2 15 LEU 0.217 0.191 17 0 "[ . 1 . 2]"
2 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 8.777 0.486 11 0 "[ . 1 . 2]"
2 19 SER 15.836 0.486 11 0 "[ . 1 . 2]"
2 20 SER 7.058 0.379 14 0 "[ . 1 . 2]"
3 1 LYS 2.792 0.161 1 0 "[ . 1 . 2]"
3 2 ASN 5.140 0.238 8 0 "[ . 1 . 2]"
3 3 PRO 0.117 0.081 8 0 "[ . 1 . 2]"
3 4 GLU 0.241 0.148 14 0 "[ . 1 . 2]"
3 5 ALA 0.935 0.106 1 0 "[ . 1 . 2]"
3 6 GLU 0.637 0.239 15 0 "[ . 1 . 2]"
3 7 GLU 3.189 0.232 9 0 "[ . 1 . 2]"
3 8 ILE 2.239 0.238 8 0 "[ . 1 . 2]"
3 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 ARG 5.206 0.361 7 0 "[ . 1 . 2]"
3 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 12 LYS 0.222 0.198 17 0 "[ . 1 . 2]"
3 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 LEU 2.017 0.361 7 0 "[ . 1 . 2]"
3 15 LEU 0.222 0.198 17 0 "[ . 1 . 2]"
3 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 18 SER 8.751 0.484 11 0 "[ . 1 . 2]"
3 19 SER 15.821 0.484 11 0 "[ . 1 . 2]"
3 20 SER 7.070 0.382 15 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 1 LYS HA 1 1 LYS QG 2.900 . 4.000 2.354 2.293 2.981 . 0 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 2 ASN H 2.400 . 3.000 3.139 3.113 3.161 0.161 11 0 "[ . 1 . 2]" 1
3 1 2 ASN H 1 2 ASN HA 2.900 . 4.000 2.794 2.759 2.822 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN H 1 2 ASN QB 2.900 . 4.000 2.529 2.224 2.745 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASN HA 1 2 ASN QB 2.400 . 3.000 2.210 2.173 2.422 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASN HA 1 3 PRO QD 2.400 . 3.000 2.074 2.001 2.139 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASN HA 1 5 ALA MB 3.400 . 5.000 4.998 4.858 5.107 0.107 1 0 "[ . 1 . 2]" 1
8 1 2 ASN QB 1 5 ALA MB 3.650 . 5.500 4.524 3.719 4.834 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASN HD21 1 5 ALA MB 3.650 . 5.500 4.236 2.222 5.571 0.071 8 0 "[ . 1 . 2]" 1
10 1 2 ASN HD21 1 8 ILE MD 3.650 . 5.500 5.565 5.319 5.732 0.232 8 0 "[ . 1 . 2]" 1
11 1 3 PRO HA 1 3 PRO QB 2.400 . 3.000 2.220 2.194 2.253 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HA 1 3 PRO QD 3.400 . 5.000 3.346 3.292 3.402 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO HA 1 3 PRO QG 2.900 . 4.000 3.273 2.905 3.514 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO HA 1 6 GLU QB 3.400 . 5.000 4.811 4.377 5.076 0.076 8 0 "[ . 1 . 2]" 1
15 1 4 GLU H 1 4 GLU HA 2.900 . 4.000 2.825 2.815 2.834 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLU H 1 4 GLU QB 3.400 . 5.000 2.399 2.350 2.458 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLU H 1 4 GLU QG 2.400 . 3.000 2.277 2.056 3.132 0.132 14 0 "[ . 1 . 2]" 1
18 1 4 GLU H 1 5 ALA H 2.400 . 3.000 2.617 2.593 2.652 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLU HA 1 7 GLU QB 3.400 . 5.000 3.446 3.010 3.901 . 0 0 "[ . 1 . 2]" 1
20 1 5 ALA H 1 5 ALA HA 2.900 . 4.000 2.799 2.780 2.805 . 0 0 "[ . 1 . 2]" 1
21 1 5 ALA H 1 5 ALA MB 2.900 . 4.000 2.213 2.186 2.236 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 6 GLU H 2.400 . 3.000 2.680 2.655 2.718 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA HA 1 5 ALA MB 2.400 . 3.000 2.141 2.133 2.147 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA HA 1 8 ILE HB 2.650 . 3.500 2.872 2.595 3.087 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA HA 1 8 ILE MD 2.900 . 4.000 3.025 2.261 4.078 0.078 15 0 "[ . 1 . 2]" 1
26 1 5 ALA HA 1 8 ILE MG 3.400 . 5.000 4.187 3.979 4.383 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLU H 1 6 GLU HA 2.900 . 4.000 2.820 2.810 2.831 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLU H 1 6 GLU QB 3.400 . 5.000 2.366 2.301 2.402 . 0 0 "[ . 1 . 2]" 1
29 1 6 GLU H 1 6 GLU QG 2.400 . 3.000 2.365 2.157 3.237 0.237 15 0 "[ . 1 . 2]" 1
30 1 6 GLU H 1 7 GLU H 2.400 . 3.000 2.665 2.636 2.696 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLU HA 1 9 THR H 3.400 . 5.000 3.438 3.362 3.524 . 0 0 "[ . 1 . 2]" 1
32 1 6 GLU HA 1 9 THR HB 3.400 . 5.000 3.021 2.885 3.239 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HA 1 9 THR MG 3.400 . 5.000 4.294 4.126 4.428 . 0 0 "[ . 1 . 2]" 1
34 1 7 GLU H 1 7 GLU HA 2.900 . 4.000 2.826 2.813 2.840 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 7 GLU QB 2.900 . 4.000 2.271 2.185 2.378 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLU H 1 7 GLU QG 3.650 . 5.500 3.788 2.256 4.073 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 8 ILE H 2.400 . 3.000 2.621 2.568 2.668 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU HA 1 10 ARG QB 2.900 . 4.000 2.771 2.552 2.988 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLU HA 1 10 ARG HE 3.400 . 5.000 3.603 2.729 3.982 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU QG 1 10 ARG HE 3.400 . 5.000 4.187 3.701 4.603 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU QG 1 14 LEU QD 3.650 . 5.500 5.388 4.754 6.969 1.469 7 3 "[ . + 1* . -2]" 1
42 1 7 GLU OE1 1 10 ARG HE 2.000 . 2.200 2.351 2.269 2.441 0.241 9 0 "[ . 1 . 2]" 1
43 1 7 GLU OE1 1 10 ARG NE 3.000 2.800 3.200 3.123 2.940 3.312 0.112 11 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 8 ILE HA 2.900 . 4.000 2.835 2.822 2.852 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE H 1 8 ILE HB 2.900 . 4.000 2.412 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
46 1 8 ILE H 1 8 ILE MD 3.400 . 5.000 2.158 1.705 2.941 0.095 18 0 "[ . 1 . 2]" 1
47 1 8 ILE H 1 8 ILE MG 3.650 . 5.500 3.728 3.694 3.799 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE H 1 9 THR H 2.400 . 3.000 2.675 2.643 2.705 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE HA 1 8 ILE MD 2.900 . 4.000 2.307 2.064 2.603 . 0 0 "[ . 1 . 2]" 1
50 1 8 ILE HA 1 8 ILE MG 2.900 . 4.000 2.446 2.252 2.549 . 0 0 "[ . 1 . 2]" 1
51 1 8 ILE HA 1 11 CYS QB 2.650 . 3.500 2.591 2.417 2.768 . 0 0 "[ . 1 . 2]" 1
52 1 9 THR H 1 9 THR HA 2.900 . 4.000 2.816 2.801 2.828 . 0 0 "[ . 1 . 2]" 1
53 1 9 THR H 1 9 THR HB 2.900 . 4.000 2.502 2.481 2.518 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR H 1 9 THR MG 3.650 . 5.500 3.745 3.734 3.753 . 0 0 "[ . 1 . 2]" 1
55 1 9 THR H 1 10 ARG H 2.400 . 3.000 2.692 2.667 2.723 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR HA 1 9 THR MG 2.900 . 4.000 2.331 2.311 2.361 . 0 0 "[ . 1 . 2]" 1
57 1 10 ARG H 1 10 ARG HA 2.900 . 4.000 2.830 2.815 2.843 . 0 0 "[ . 1 . 2]" 1
58 1 10 ARG H 1 10 ARG QB 2.900 . 4.000 2.284 2.242 2.356 . 0 0 "[ . 1 . 2]" 1
59 1 10 ARG H 1 11 CYS H 2.400 . 3.000 2.645 2.584 2.680 . 0 0 "[ . 1 . 2]" 1
60 1 10 ARG HA 1 10 ARG QG 2.400 . 3.000 2.326 2.247 2.346 . 0 0 "[ . 1 . 2]" 1
61 1 10 ARG HE 1 14 LEU QD 3.650 . 5.500 3.748 2.839 4.311 . 0 0 "[ . 1 . 2]" 1
62 1 11 CYS H 1 12 LYS H 2.400 . 3.000 2.753 2.608 2.837 . 0 0 "[ . 1 . 2]" 1
63 1 12 LYS H 1 12 LYS HA 2.900 . 4.000 2.818 2.803 2.835 . 0 0 "[ . 1 . 2]" 1
64 1 12 LYS H 1 12 LYS QB 3.400 . 5.000 2.294 2.247 2.384 . 0 0 "[ . 1 . 2]" 1
65 1 12 LYS H 1 13 LYS H 2.400 . 3.000 2.686 2.638 2.738 . 0 0 "[ . 1 . 2]" 1
66 1 12 LYS HA 1 15 LEU QB 2.900 . 4.000 2.835 2.703 2.997 . 0 0 "[ . 1 . 2]" 1
67 1 12 LYS HA 1 15 LEU MD1 3.400 . 5.000 2.632 2.329 5.193 0.193 17 0 "[ . 1 . 2]" 1
68 1 12 LYS HA 1 15 LEU MD2 3.400 . 5.000 4.725 3.257 5.023 0.023 12 0 "[ . 1 . 2]" 1
69 1 13 LYS H 1 13 LYS HA 2.900 . 4.000 2.823 2.809 2.837 . 0 0 "[ . 1 . 2]" 1
70 1 13 LYS H 1 13 LYS QB 2.900 . 4.000 2.308 2.250 2.416 . 0 0 "[ . 1 . 2]" 1
71 1 13 LYS H 1 14 LEU H 2.400 . 3.000 2.663 2.622 2.711 . 0 0 "[ . 1 . 2]" 1
72 1 13 LYS HA 1 16 ASP QB 2.900 . 4.000 2.595 2.325 2.743 . 0 0 "[ . 1 . 2]" 1
73 1 14 LEU H 1 14 LEU HA 2.900 . 4.000 2.820 2.810 2.828 . 0 0 "[ . 1 . 2]" 1
74 1 14 LEU H 1 14 LEU QB 3.400 . 5.000 2.319 2.249 2.392 . 0 0 "[ . 1 . 2]" 1
75 1 14 LEU H 1 14 LEU QD 3.650 . 5.500 3.113 3.066 3.151 . 0 0 "[ . 1 . 2]" 1
76 1 14 LEU H 1 15 LEU H 2.400 . 3.000 2.687 2.645 2.736 . 0 0 "[ . 1 . 2]" 1
77 1 14 LEU HA 1 14 LEU QD 2.900 . 4.000 2.164 2.107 2.217 . 0 0 "[ . 1 . 2]" 1
78 1 14 LEU HA 1 17 ASP QB 3.400 . 5.000 2.724 2.332 3.130 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU H 1 15 LEU HA 2.900 . 4.000 2.833 2.823 2.863 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU H 1 15 LEU QB 3.400 . 5.000 2.352 2.226 2.389 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU H 1 15 LEU MD1 3.650 . 5.500 3.396 1.975 3.825 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU H 1 15 LEU MD2 2.900 . 4.000 3.439 1.805 3.700 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU H 1 16 ASP H 2.400 . 3.000 2.633 2.571 2.685 . 0 0 "[ . 1 . 2]" 1
84 1 15 LEU HA 1 15 LEU MD1 2.900 . 4.000 3.650 2.160 3.814 . 0 0 "[ . 1 . 2]" 1
85 1 15 LEU HA 1 15 LEU MD2 3.400 . 5.000 2.225 2.116 3.745 . 0 0 "[ . 1 . 2]" 1
86 1 16 ASP H 1 16 ASP HA 2.900 . 4.000 2.829 2.813 2.865 . 0 0 "[ . 1 . 2]" 1
87 1 16 ASP H 1 16 ASP QB 3.400 . 5.000 2.338 2.323 2.349 . 0 0 "[ . 1 . 2]" 1
88 1 16 ASP H 1 17 ASP H 2.400 . 3.000 2.615 2.532 2.686 . 0 0 "[ . 1 . 2]" 1
89 1 17 ASP H 1 17 ASP HA 2.900 . 4.000 2.831 2.816 2.848 . 0 0 "[ . 1 . 2]" 1
90 1 17 ASP H 1 17 ASP QB 3.400 . 5.000 2.349 2.336 2.375 . 0 0 "[ . 1 . 2]" 1
91 1 18 SER H 1 18 SER HA 2.900 . 4.000 2.785 2.776 2.798 . 0 0 "[ . 1 . 2]" 1
92 1 18 SER H 1 18 SER QB 2.900 . 4.000 2.369 2.218 2.467 . 0 0 "[ . 1 . 2]" 1
93 1 18 SER HA 1 19 SER H 2.400 . 3.000 3.437 3.394 3.482 0.482 11 0 "[ . 1 . 2]" 1
94 1 19 SER H 1 19 SER HA 2.900 . 4.000 2.901 2.883 2.930 . 0 0 "[ . 1 . 2]" 1
95 1 19 SER H 1 19 SER QB 2.900 . 4.000 2.466 2.310 2.603 . 0 0 "[ . 1 . 2]" 1
96 1 19 SER HA 1 20 SER H 2.400 . 3.000 3.350 3.322 3.375 0.375 15 0 "[ . 1 . 2]" 1
97 1 20 SER H 1 20 SER HA 2.900 . 4.000 2.896 2.886 2.903 . 0 0 "[ . 1 . 2]" 1
98 1 20 SER H 1 20 SER QB 3.400 . 5.000 2.417 2.255 2.613 . 0 0 "[ . 1 . 2]" 1
99 2 1 LYS HA 2 1 LYS QG 2.900 . 4.000 2.353 2.287 2.978 . 0 0 "[ . 1 . 2]" 1
100 2 1 LYS HA 2 2 ASN H 2.400 . 3.000 3.141 3.118 3.160 0.160 11 0 "[ . 1 . 2]" 1
101 2 2 ASN H 2 2 ASN HA 2.900 . 4.000 2.795 2.759 2.822 . 0 0 "[ . 1 . 2]" 1
102 2 2 ASN H 2 2 ASN QB 2.900 . 4.000 2.531 2.226 2.740 . 0 0 "[ . 1 . 2]" 1
103 2 2 ASN HA 2 2 ASN QB 2.400 . 3.000 2.210 2.171 2.421 . 0 0 "[ . 1 . 2]" 1
104 2 2 ASN HA 2 3 PRO QD 2.400 . 3.000 2.074 2.002 2.142 . 0 0 "[ . 1 . 2]" 1
105 2 2 ASN HA 2 5 ALA MB 3.400 . 5.000 5.000 4.843 5.104 0.104 19 0 "[ . 1 . 2]" 1
106 2 2 ASN QB 2 5 ALA MB 3.650 . 5.500 4.526 3.726 4.833 . 0 0 "[ . 1 . 2]" 1
107 2 2 ASN HD21 2 5 ALA MB 3.650 . 5.500 4.237 2.215 5.559 0.059 8 0 "[ . 1 . 2]" 1
108 2 2 ASN HD21 2 8 ILE MD 3.650 . 5.500 5.562 5.338 5.716 0.216 8 0 "[ . 1 . 2]" 1
109 2 3 PRO HA 2 3 PRO QB 2.400 . 3.000 2.220 2.194 2.251 . 0 0 "[ . 1 . 2]" 1
110 2 3 PRO HA 2 3 PRO QD 3.400 . 5.000 3.347 3.292 3.402 . 0 0 "[ . 1 . 2]" 1
111 2 3 PRO HA 2 3 PRO QG 2.900 . 4.000 3.273 2.913 3.516 . 0 0 "[ . 1 . 2]" 1
112 2 3 PRO HA 2 6 GLU QB 3.400 . 5.000 4.806 4.387 5.077 0.077 8 0 "[ . 1 . 2]" 1
113 2 4 GLU H 2 4 GLU HA 2.900 . 4.000 2.825 2.814 2.835 . 0 0 "[ . 1 . 2]" 1
114 2 4 GLU H 2 4 GLU QB 3.400 . 5.000 2.397 2.340 2.451 . 0 0 "[ . 1 . 2]" 1
115 2 4 GLU H 2 4 GLU QG 2.400 . 3.000 2.282 2.072 3.149 0.149 14 0 "[ . 1 . 2]" 1
116 2 4 GLU H 2 5 ALA H 2.400 . 3.000 2.617 2.588 2.647 . 0 0 "[ . 1 . 2]" 1
117 2 4 GLU HA 2 7 GLU QB 3.400 . 5.000 3.444 3.015 3.876 . 0 0 "[ . 1 . 2]" 1
118 2 5 ALA H 2 5 ALA HA 2.900 . 4.000 2.799 2.780 2.806 . 0 0 "[ . 1 . 2]" 1
119 2 5 ALA H 2 5 ALA MB 2.900 . 4.000 2.213 2.188 2.236 . 0 0 "[ . 1 . 2]" 1
120 2 5 ALA H 2 6 GLU H 2.400 . 3.000 2.681 2.655 2.721 . 0 0 "[ . 1 . 2]" 1
121 2 5 ALA HA 2 5 ALA MB 2.400 . 3.000 2.141 2.134 2.147 . 0 0 "[ . 1 . 2]" 1
122 2 5 ALA HA 2 8 ILE HB 2.650 . 3.500 2.871 2.597 3.092 . 0 0 "[ . 1 . 2]" 1
123 2 5 ALA HA 2 8 ILE MD 2.900 . 4.000 3.019 2.258 4.072 0.072 15 0 "[ . 1 . 2]" 1
124 2 5 ALA HA 2 8 ILE MG 3.400 . 5.000 4.188 3.991 4.389 . 0 0 "[ . 1 . 2]" 1
125 2 6 GLU H 2 6 GLU HA 2.900 . 4.000 2.820 2.810 2.831 . 0 0 "[ . 1 . 2]" 1
126 2 6 GLU H 2 6 GLU QB 3.400 . 5.000 2.365 2.300 2.400 . 0 0 "[ . 1 . 2]" 1
127 2 6 GLU H 2 6 GLU QG 2.400 . 3.000 2.366 2.160 3.238 0.238 15 0 "[ . 1 . 2]" 1
128 2 6 GLU H 2 7 GLU H 2.400 . 3.000 2.664 2.633 2.693 . 0 0 "[ . 1 . 2]" 1
129 2 6 GLU HA 2 9 THR H 3.400 . 5.000 3.438 3.351 3.523 . 0 0 "[ . 1 . 2]" 1
130 2 6 GLU HA 2 9 THR HB 3.400 . 5.000 3.019 2.878 3.206 . 0 0 "[ . 1 . 2]" 1
131 2 6 GLU HA 2 9 THR MG 3.400 . 5.000 4.293 4.120 4.413 . 0 0 "[ . 1 . 2]" 1
132 2 7 GLU H 2 7 GLU HA 2.900 . 4.000 2.826 2.814 2.839 . 0 0 "[ . 1 . 2]" 1
133 2 7 GLU H 2 7 GLU QB 2.900 . 4.000 2.271 2.186 2.377 . 0 0 "[ . 1 . 2]" 1
134 2 7 GLU H 2 7 GLU QG 3.650 . 5.500 3.788 2.261 4.074 . 0 0 "[ . 1 . 2]" 1
135 2 7 GLU H 2 8 ILE H 2.400 . 3.000 2.623 2.572 2.666 . 0 0 "[ . 1 . 2]" 1
136 2 7 GLU HA 2 10 ARG QB 2.900 . 4.000 2.769 2.545 2.982 . 0 0 "[ . 1 . 2]" 1
137 2 7 GLU HA 2 10 ARG HE 3.400 . 5.000 3.601 2.730 3.989 . 0 0 "[ . 1 . 2]" 1
138 2 7 GLU QG 2 10 ARG HE 3.400 . 5.000 4.186 3.721 4.601 . 0 0 "[ . 1 . 2]" 1
139 2 7 GLU QG 2 14 LEU QD 3.650 . 5.500 5.389 4.762 6.965 1.465 7 3 "[ . + 1* . -2]" 1
140 2 7 GLU OE1 2 10 ARG HE 2.000 . 2.200 2.348 2.244 2.438 0.238 9 0 "[ . 1 . 2]" 1
141 2 7 GLU OE1 2 10 ARG NE 3.000 2.800 3.200 3.120 2.919 3.305 0.105 11 0 "[ . 1 . 2]" 1
142 2 8 ILE H 2 8 ILE HA 2.900 . 4.000 2.834 2.821 2.849 . 0 0 "[ . 1 . 2]" 1
143 2 8 ILE H 2 8 ILE HB 2.900 . 4.000 2.411 2.289 2.621 . 0 0 "[ . 1 . 2]" 1
144 2 8 ILE H 2 8 ILE MD 3.400 . 5.000 2.157 1.695 2.952 0.105 1 0 "[ . 1 . 2]" 1
145 2 8 ILE H 2 8 ILE MG 3.650 . 5.500 3.727 3.693 3.798 . 0 0 "[ . 1 . 2]" 1
146 2 8 ILE H 2 9 THR H 2.400 . 3.000 2.674 2.646 2.709 . 0 0 "[ . 1 . 2]" 1
147 2 8 ILE HA 2 8 ILE MD 2.900 . 4.000 2.311 2.064 2.598 . 0 0 "[ . 1 . 2]" 1
148 2 8 ILE HA 2 8 ILE MG 2.900 . 4.000 2.446 2.249 2.550 . 0 0 "[ . 1 . 2]" 1
149 2 8 ILE HA 2 11 CYS QB 2.650 . 3.500 2.591 2.414 2.771 . 0 0 "[ . 1 . 2]" 1
150 2 9 THR H 2 9 THR HA 2.900 . 4.000 2.815 2.799 2.829 . 0 0 "[ . 1 . 2]" 1
151 2 9 THR H 2 9 THR HB 2.900 . 4.000 2.503 2.483 2.521 . 0 0 "[ . 1 . 2]" 1
152 2 9 THR H 2 9 THR MG 3.650 . 5.500 3.744 3.734 3.751 . 0 0 "[ . 1 . 2]" 1
153 2 9 THR H 2 10 ARG H 2.400 . 3.000 2.691 2.662 2.718 . 0 0 "[ . 1 . 2]" 1
154 2 9 THR HA 2 9 THR MG 2.900 . 4.000 2.329 2.316 2.352 . 0 0 "[ . 1 . 2]" 1
155 2 10 ARG H 2 10 ARG HA 2.900 . 4.000 2.829 2.815 2.842 . 0 0 "[ . 1 . 2]" 1
156 2 10 ARG H 2 10 ARG QB 2.900 . 4.000 2.283 2.243 2.353 . 0 0 "[ . 1 . 2]" 1
157 2 10 ARG H 2 11 CYS H 2.400 . 3.000 2.647 2.586 2.681 . 0 0 "[ . 1 . 2]" 1
158 2 10 ARG HA 2 10 ARG QG 2.400 . 3.000 2.326 2.248 2.352 . 0 0 "[ . 1 . 2]" 1
159 2 10 ARG HE 2 14 LEU QD 3.650 . 5.500 3.752 2.857 4.309 . 0 0 "[ . 1 . 2]" 1
160 2 11 CYS H 2 12 LYS H 2.400 . 3.000 2.759 2.605 2.846 . 0 0 "[ . 1 . 2]" 1
161 2 12 LYS H 2 12 LYS HA 2.900 . 4.000 2.819 2.803 2.834 . 0 0 "[ . 1 . 2]" 1
162 2 12 LYS H 2 12 LYS QB 3.400 . 5.000 2.294 2.250 2.383 . 0 0 "[ . 1 . 2]" 1
163 2 12 LYS H 2 13 LYS H 2.400 . 3.000 2.681 2.630 2.739 . 0 0 "[ . 1 . 2]" 1
164 2 12 LYS HA 2 15 LEU QB 2.900 . 4.000 2.832 2.687 2.986 . 0 0 "[ . 1 . 2]" 1
165 2 12 LYS HA 2 15 LEU MD1 3.400 . 5.000 2.633 2.337 5.191 0.191 17 0 "[ . 1 . 2]" 1
166 2 12 LYS HA 2 15 LEU MD2 3.400 . 5.000 4.725 3.263 5.026 0.026 12 0 "[ . 1 . 2]" 1
167 2 13 LYS H 2 13 LYS HA 2.900 . 4.000 2.823 2.811 2.835 . 0 0 "[ . 1 . 2]" 1
168 2 13 LYS H 2 13 LYS QB 2.900 . 4.000 2.309 2.249 2.416 . 0 0 "[ . 1 . 2]" 1
169 2 13 LYS H 2 14 LEU H 2.400 . 3.000 2.661 2.626 2.713 . 0 0 "[ . 1 . 2]" 1
170 2 13 LYS HA 2 16 ASP QB 2.900 . 4.000 2.587 2.327 2.744 . 0 0 "[ . 1 . 2]" 1
171 2 14 LEU H 2 14 LEU HA 2.900 . 4.000 2.821 2.808 2.829 . 0 0 "[ . 1 . 2]" 1
172 2 14 LEU H 2 14 LEU QB 3.400 . 5.000 2.319 2.252 2.398 . 0 0 "[ . 1 . 2]" 1
173 2 14 LEU H 2 14 LEU QD 3.650 . 5.500 3.113 3.058 3.153 . 0 0 "[ . 1 . 2]" 1
174 2 14 LEU H 2 15 LEU H 2.400 . 3.000 2.687 2.645 2.739 . 0 0 "[ . 1 . 2]" 1
175 2 14 LEU HA 2 14 LEU QD 2.900 . 4.000 2.164 2.108 2.220 . 0 0 "[ . 1 . 2]" 1
176 2 14 LEU HA 2 17 ASP QB 3.400 . 5.000 2.721 2.344 3.133 . 0 0 "[ . 1 . 2]" 1
177 2 15 LEU H 2 15 LEU HA 2.900 . 4.000 2.833 2.824 2.863 . 0 0 "[ . 1 . 2]" 1
178 2 15 LEU H 2 15 LEU QB 3.400 . 5.000 2.352 2.226 2.392 . 0 0 "[ . 1 . 2]" 1
179 2 15 LEU H 2 15 LEU MD1 3.650 . 5.500 3.396 1.969 3.827 . 0 0 "[ . 1 . 2]" 1
180 2 15 LEU H 2 15 LEU MD2 2.900 . 4.000 3.440 1.802 3.695 . 0 0 "[ . 1 . 2]" 1
181 2 15 LEU H 2 16 ASP H 2.400 . 3.000 2.631 2.572 2.681 . 0 0 "[ . 1 . 2]" 1
182 2 15 LEU HA 2 15 LEU MD1 2.900 . 4.000 3.651 2.163 3.815 . 0 0 "[ . 1 . 2]" 1
183 2 15 LEU HA 2 15 LEU MD2 3.400 . 5.000 2.226 2.120 3.747 . 0 0 "[ . 1 . 2]" 1
184 2 16 ASP H 2 16 ASP HA 2.900 . 4.000 2.829 2.814 2.863 . 0 0 "[ . 1 . 2]" 1
185 2 16 ASP H 2 16 ASP QB 3.400 . 5.000 2.338 2.325 2.348 . 0 0 "[ . 1 . 2]" 1
186 2 16 ASP H 2 17 ASP H 2.400 . 3.000 2.615 2.540 2.687 . 0 0 "[ . 1 . 2]" 1
187 2 17 ASP H 2 17 ASP HA 2.900 . 4.000 2.831 2.818 2.849 . 0 0 "[ . 1 . 2]" 1
188 2 17 ASP H 2 17 ASP QB 3.400 . 5.000 2.349 2.335 2.374 . 0 0 "[ . 1 . 2]" 1
189 2 18 SER H 2 18 SER HA 2.900 . 4.000 2.785 2.775 2.799 . 0 0 "[ . 1 . 2]" 1
190 2 18 SER H 2 18 SER QB 2.900 . 4.000 2.367 2.213 2.480 . 0 0 "[ . 1 . 2]" 1
191 2 18 SER HA 2 19 SER H 2.400 . 3.000 3.439 3.393 3.486 0.486 11 0 "[ . 1 . 2]" 1
192 2 19 SER H 2 19 SER HA 2.900 . 4.000 2.899 2.882 2.929 . 0 0 "[ . 1 . 2]" 1
193 2 19 SER H 2 19 SER QB 2.900 . 4.000 2.463 2.307 2.607 . 0 0 "[ . 1 . 2]" 1
194 2 19 SER HA 2 20 SER H 2.400 . 3.000 3.353 3.324 3.379 0.379 14 0 "[ . 1 . 2]" 1
195 2 20 SER H 2 20 SER HA 2.900 . 4.000 2.897 2.888 2.903 . 0 0 "[ . 1 . 2]" 1
196 2 20 SER H 2 20 SER QB 3.400 . 5.000 2.422 2.256 2.613 . 0 0 "[ . 1 . 2]" 1
197 3 1 LYS HA 3 1 LYS QG 2.900 . 4.000 2.354 2.290 2.992 . 0 0 "[ . 1 . 2]" 1
198 3 1 LYS HA 3 2 ASN H 2.400 . 3.000 3.140 3.112 3.161 0.161 1 0 "[ . 1 . 2]" 1
199 3 2 ASN H 3 2 ASN HA 2.900 . 4.000 2.794 2.760 2.819 . 0 0 "[ . 1 . 2]" 1
200 3 2 ASN H 3 2 ASN QB 2.900 . 4.000 2.528 2.226 2.745 . 0 0 "[ . 1 . 2]" 1
201 3 2 ASN HA 3 2 ASN QB 2.400 . 3.000 2.210 2.172 2.418 . 0 0 "[ . 1 . 2]" 1
202 3 2 ASN HA 3 3 PRO QD 2.400 . 3.000 2.074 2.000 2.143 . 0 0 "[ . 1 . 2]" 1
203 3 2 ASN HA 3 5 ALA MB 3.400 . 5.000 5.000 4.845 5.106 0.106 1 0 "[ . 1 . 2]" 1
204 3 2 ASN QB 3 5 ALA MB 3.650 . 5.500 4.527 3.717 4.836 . 0 0 "[ . 1 . 2]" 1
205 3 2 ASN HD21 3 5 ALA MB 3.650 . 5.500 4.240 2.231 5.570 0.070 8 0 "[ . 1 . 2]" 1
206 3 2 ASN HD21 3 8 ILE MD 3.650 . 5.500 5.565 5.325 5.738 0.238 8 0 "[ . 1 . 2]" 1
207 3 3 PRO HA 3 3 PRO QB 2.400 . 3.000 2.219 2.194 2.251 . 0 0 "[ . 1 . 2]" 1
208 3 3 PRO HA 3 3 PRO QD 3.400 . 5.000 3.347 3.292 3.403 . 0 0 "[ . 1 . 2]" 1
209 3 3 PRO HA 3 3 PRO QG 2.900 . 4.000 3.275 2.915 3.515 . 0 0 "[ . 1 . 2]" 1
210 3 3 PRO HA 3 6 GLU QB 3.400 . 5.000 4.810 4.382 5.081 0.081 8 0 "[ . 1 . 2]" 1
211 3 4 GLU H 3 4 GLU HA 2.900 . 4.000 2.824 2.815 2.837 . 0 0 "[ . 1 . 2]" 1
212 3 4 GLU H 3 4 GLU QB 3.400 . 5.000 2.399 2.340 2.460 . 0 0 "[ . 1 . 2]" 1
213 3 4 GLU H 3 4 GLU QG 2.400 . 3.000 2.279 2.057 3.148 0.148 14 0 "[ . 1 . 2]" 1
214 3 4 GLU H 3 5 ALA H 2.400 . 3.000 2.618 2.600 2.648 . 0 0 "[ . 1 . 2]" 1
215 3 4 GLU HA 3 7 GLU QB 3.400 . 5.000 3.444 3.003 3.872 . 0 0 "[ . 1 . 2]" 1
216 3 5 ALA H 3 5 ALA HA 2.900 . 4.000 2.799 2.782 2.805 . 0 0 "[ . 1 . 2]" 1
217 3 5 ALA H 3 5 ALA MB 2.900 . 4.000 2.212 2.184 2.235 . 0 0 "[ . 1 . 2]" 1
218 3 5 ALA H 3 6 GLU H 2.400 . 3.000 2.680 2.654 2.714 . 0 0 "[ . 1 . 2]" 1
219 3 5 ALA HA 3 5 ALA MB 2.400 . 3.000 2.141 2.133 2.147 . 0 0 "[ . 1 . 2]" 1
220 3 5 ALA HA 3 8 ILE HB 2.650 . 3.500 2.870 2.589 3.098 . 0 0 "[ . 1 . 2]" 1
221 3 5 ALA HA 3 8 ILE MD 2.900 . 4.000 3.021 2.263 4.065 0.065 15 0 "[ . 1 . 2]" 1
222 3 5 ALA HA 3 8 ILE MG 3.400 . 5.000 4.186 3.980 4.383 . 0 0 "[ . 1 . 2]" 1
223 3 6 GLU H 3 6 GLU HA 2.900 . 4.000 2.819 2.810 2.831 . 0 0 "[ . 1 . 2]" 1
224 3 6 GLU H 3 6 GLU QB 3.400 . 5.000 2.366 2.301 2.404 . 0 0 "[ . 1 . 2]" 1
225 3 6 GLU H 3 6 GLU QG 2.400 . 3.000 2.364 2.153 3.239 0.239 15 0 "[ . 1 . 2]" 1
226 3 6 GLU H 3 7 GLU H 2.400 . 3.000 2.665 2.632 2.699 . 0 0 "[ . 1 . 2]" 1
227 3 6 GLU HA 3 9 THR H 3.400 . 5.000 3.438 3.358 3.525 . 0 0 "[ . 1 . 2]" 1
228 3 6 GLU HA 3 9 THR HB 3.400 . 5.000 3.018 2.888 3.212 . 0 0 "[ . 1 . 2]" 1
229 3 6 GLU HA 3 9 THR MG 3.400 . 5.000 4.291 4.121 4.424 . 0 0 "[ . 1 . 2]" 1
230 3 7 GLU H 3 7 GLU HA 2.900 . 4.000 2.826 2.813 2.840 . 0 0 "[ . 1 . 2]" 1
231 3 7 GLU H 3 7 GLU QB 2.900 . 4.000 2.270 2.186 2.372 . 0 0 "[ . 1 . 2]" 1
232 3 7 GLU H 3 7 GLU QG 3.650 . 5.500 3.789 2.266 4.074 . 0 0 "[ . 1 . 2]" 1
233 3 7 GLU H 3 8 ILE H 2.400 . 3.000 2.622 2.569 2.668 . 0 0 "[ . 1 . 2]" 1
234 3 7 GLU HA 3 10 ARG QB 2.900 . 4.000 2.771 2.550 2.987 . 0 0 "[ . 1 . 2]" 1
235 3 7 GLU HA 3 10 ARG HE 3.400 . 5.000 3.601 2.730 4.002 . 0 0 "[ . 1 . 2]" 1
236 3 7 GLU QG 3 10 ARG HE 3.400 . 5.000 4.188 3.728 4.598 . 0 0 "[ . 1 . 2]" 1
237 3 7 GLU OE1 3 10 ARG HE 2.000 . 2.200 2.347 2.258 2.432 0.232 9 0 "[ . 1 . 2]" 1
238 3 7 GLU OE1 3 10 ARG NE 3.000 2.800 3.200 3.121 2.935 3.285 0.085 11 0 "[ . 1 . 2]" 1
239 3 8 ILE H 3 8 ILE HA 2.900 . 4.000 2.834 2.820 2.849 . 0 0 "[ . 1 . 2]" 1
240 3 8 ILE H 3 8 ILE HB 2.900 . 4.000 2.412 2.290 2.627 . 0 0 "[ . 1 . 2]" 1
241 3 8 ILE H 3 8 ILE MD 3.400 . 5.000 2.157 1.691 2.969 0.109 1 0 "[ . 1 . 2]" 1
242 3 8 ILE H 3 8 ILE MG 3.650 . 5.500 3.728 3.694 3.797 . 0 0 "[ . 1 . 2]" 1
243 3 8 ILE H 3 9 THR H 2.400 . 3.000 2.674 2.646 2.702 . 0 0 "[ . 1 . 2]" 1
244 3 8 ILE HA 3 8 ILE MD 2.900 . 4.000 2.311 2.069 2.613 . 0 0 "[ . 1 . 2]" 1
245 3 8 ILE HA 3 8 ILE MG 2.900 . 4.000 2.447 2.256 2.553 . 0 0 "[ . 1 . 2]" 1
246 3 8 ILE HA 3 11 CYS QB 2.650 . 3.500 2.595 2.433 2.774 . 0 0 "[ . 1 . 2]" 1
247 3 9 THR H 3 9 THR HA 2.900 . 4.000 2.816 2.799 2.828 . 0 0 "[ . 1 . 2]" 1
248 3 9 THR H 3 9 THR HB 2.900 . 4.000 2.502 2.485 2.520 . 0 0 "[ . 1 . 2]" 1
249 3 9 THR H 3 9 THR MG 3.650 . 5.500 3.744 3.735 3.751 . 0 0 "[ . 1 . 2]" 1
250 3 9 THR H 3 10 ARG H 2.400 . 3.000 2.691 2.665 2.719 . 0 0 "[ . 1 . 2]" 1
251 3 9 THR HA 3 9 THR MG 2.900 . 4.000 2.330 2.314 2.346 . 0 0 "[ . 1 . 2]" 1
252 3 10 ARG H 3 10 ARG HA 2.900 . 4.000 2.829 2.812 2.844 . 0 0 "[ . 1 . 2]" 1
253 3 10 ARG H 3 10 ARG QB 2.900 . 4.000 2.283 2.242 2.360 . 0 0 "[ . 1 . 2]" 1
254 3 10 ARG H 3 11 CYS H 2.400 . 3.000 2.648 2.589 2.680 . 0 0 "[ . 1 . 2]" 1
255 3 10 ARG HA 3 10 ARG QG 2.400 . 3.000 2.327 2.250 2.350 . 0 0 "[ . 1 . 2]" 1
256 3 10 ARG HE 3 14 LEU MD1 3.650 . 5.500 3.822 2.853 4.425 . 0 0 "[ . 1 . 2]" 1
257 3 10 ARG HE 3 14 LEU MD2 3.650 . 5.500 5.524 4.810 5.861 0.361 7 0 "[ . 1 . 2]" 1
258 3 11 CYS H 3 12 LYS H 2.400 . 3.000 2.759 2.610 2.845 . 0 0 "[ . 1 . 2]" 1
259 3 12 LYS H 3 12 LYS HA 2.900 . 4.000 2.819 2.803 2.832 . 0 0 "[ . 1 . 2]" 1
260 3 12 LYS H 3 12 LYS QB 3.400 . 5.000 2.294 2.248 2.384 . 0 0 "[ . 1 . 2]" 1
261 3 12 LYS H 3 13 LYS H 2.400 . 3.000 2.681 2.637 2.734 . 0 0 "[ . 1 . 2]" 1
262 3 12 LYS HA 3 15 LEU QB 2.900 . 4.000 2.832 2.696 2.985 . 0 0 "[ . 1 . 2]" 1
263 3 12 LYS HA 3 15 LEU MD1 3.400 . 5.000 2.633 2.337 5.198 0.198 17 0 "[ . 1 . 2]" 1
264 3 12 LYS HA 3 15 LEU MD2 3.400 . 5.000 4.726 3.266 5.025 0.025 12 0 "[ . 1 . 2]" 1
265 3 13 LYS H 3 13 LYS HA 2.900 . 4.000 2.823 2.811 2.841 . 0 0 "[ . 1 . 2]" 1
266 3 13 LYS H 3 13 LYS QB 2.900 . 4.000 2.309 2.249 2.419 . 0 0 "[ . 1 . 2]" 1
267 3 13 LYS H 3 14 LEU H 2.400 . 3.000 2.660 2.621 2.711 . 0 0 "[ . 1 . 2]" 1
268 3 13 LYS HA 3 16 ASP QB 2.900 . 4.000 2.592 2.327 2.734 . 0 0 "[ . 1 . 2]" 1
269 3 14 LEU H 3 14 LEU HA 2.900 . 4.000 2.821 2.809 2.829 . 0 0 "[ . 1 . 2]" 1
270 3 14 LEU H 3 14 LEU QB 3.400 . 5.000 2.320 2.254 2.395 . 0 0 "[ . 1 . 2]" 1
271 3 14 LEU H 3 14 LEU MD1 3.650 . 5.500 3.378 3.211 3.491 . 0 0 "[ . 1 . 2]" 1
272 3 14 LEU H 3 14 LEU MD2 3.650 . 5.500 3.679 3.399 3.928 . 0 0 "[ . 1 . 2]" 1
273 3 14 LEU H 3 15 LEU H 2.400 . 3.000 2.686 2.647 2.737 . 0 0 "[ . 1 . 2]" 1
274 3 14 LEU HA 3 14 LEU MD2 2.900 . 4.000 2.177 2.116 2.229 . 0 0 "[ . 1 . 2]" 1
275 3 14 LEU HA 3 17 ASP QB 3.400 . 5.000 2.726 2.327 3.136 . 0 0 "[ . 1 . 2]" 1
276 3 15 LEU H 3 15 LEU HA 2.900 . 4.000 2.833 2.824 2.862 . 0 0 "[ . 1 . 2]" 1
277 3 15 LEU H 3 15 LEU QB 3.400 . 5.000 2.352 2.224 2.394 . 0 0 "[ . 1 . 2]" 1
278 3 15 LEU H 3 15 LEU MD1 3.650 . 5.500 3.395 1.980 3.828 . 0 0 "[ . 1 . 2]" 1
279 3 15 LEU H 3 15 LEU MD2 2.900 . 4.000 3.442 1.817 3.706 . 0 0 "[ . 1 . 2]" 1
280 3 15 LEU H 3 16 ASP H 2.400 . 3.000 2.632 2.572 2.681 . 0 0 "[ . 1 . 2]" 1
281 3 15 LEU HA 3 15 LEU MD1 2.900 . 4.000 3.651 2.159 3.815 . 0 0 "[ . 1 . 2]" 1
282 3 15 LEU HA 3 15 LEU MD2 3.400 . 5.000 2.226 2.120 3.745 . 0 0 "[ . 1 . 2]" 1
283 3 16 ASP H 3 16 ASP HA 2.900 . 4.000 2.829 2.813 2.864 . 0 0 "[ . 1 . 2]" 1
284 3 16 ASP H 3 16 ASP QB 3.400 . 5.000 2.337 2.318 2.349 . 0 0 "[ . 1 . 2]" 1
285 3 16 ASP H 3 17 ASP H 2.400 . 3.000 2.616 2.534 2.687 . 0 0 "[ . 1 . 2]" 1
286 3 17 ASP H 3 17 ASP HA 2.900 . 4.000 2.831 2.817 2.850 . 0 0 "[ . 1 . 2]" 1
287 3 17 ASP H 3 17 ASP QB 3.400 . 5.000 2.350 2.330 2.374 . 0 0 "[ . 1 . 2]" 1
288 3 18 SER H 3 18 SER HA 2.900 . 4.000 2.785 2.775 2.799 . 0 0 "[ . 1 . 2]" 1
289 3 18 SER H 3 18 SER QB 2.900 . 4.000 2.370 2.220 2.461 . 0 0 "[ . 1 . 2]" 1
290 3 18 SER HA 3 19 SER H 2.400 . 3.000 3.438 3.394 3.484 0.484 11 0 "[ . 1 . 2]" 1
291 3 19 SER H 3 19 SER HA 2.900 . 4.000 2.900 2.880 2.929 . 0 0 "[ . 1 . 2]" 1
292 3 19 SER H 3 19 SER QB 2.900 . 4.000 2.463 2.306 2.603 . 0 0 "[ . 1 . 2]" 1
293 3 19 SER HA 3 20 SER H 2.400 . 3.000 3.354 3.323 3.382 0.382 15 0 "[ . 1 . 2]" 1
294 3 20 SER H 3 20 SER HA 2.900 . 4.000 2.896 2.888 2.903 . 0 0 "[ . 1 . 2]" 1
295 3 20 SER H 3 20 SER QB 3.400 . 5.000 2.418 2.260 2.616 . 0 0 "[ . 1 . 2]" 1
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