NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
410250 |
1zza   |
6715 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zza
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 436
_Distance_constraint_stats_list.Viol_count 1725
_Distance_constraint_stats_list.Viol_total 4744.381
_Distance_constraint_stats_list.Viol_max 0.380
_Distance_constraint_stats_list.Viol_rms 0.0457
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1100
_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 2.708 0.178 15 0 "[ . 1 . 2 .]"
1 3 MET 0.764 0.150 9 0 "[ . 1 . 2 .]"
1 4 SER 2.066 0.224 1 0 "[ . 1 . 2 .]"
1 5 ILE 8.227 0.224 1 0 "[ . 1 . 2 .]"
1 6 MET 3.696 0.355 7 0 "[ . 1 . 2 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 HIS 3.190 0.355 7 0 "[ . 1 . 2 .]"
1 9 SER 3.090 0.182 2 0 "[ . 1 . 2 .]"
1 10 PRO 1.021 0.190 25 0 "[ . 1 . 2 .]"
1 11 THR 3.183 0.190 25 0 "[ . 1 . 2 .]"
1 12 THR 5.177 0.161 24 0 "[ . 1 . 2 .]"
1 13 GLY 3.302 0.154 20 0 "[ . 1 . 2 .]"
1 14 VAL 0.923 0.149 11 0 "[ . 1 . 2 .]"
1 15 VAL 5.349 0.170 9 0 "[ . 1 . 2 .]"
1 16 THR 8.438 0.181 20 0 "[ . 1 . 2 .]"
1 17 VAL 10.238 0.308 13 0 "[ . 1 . 2 .]"
1 18 ILE 10.969 0.217 4 0 "[ . 1 . 2 .]"
1 19 VAL 6.829 0.204 18 0 "[ . 1 . 2 .]"
1 20 ILE 6.557 0.175 14 0 "[ . 1 . 2 .]"
1 21 LEU 6.901 0.308 13 0 "[ . 1 . 2 .]"
1 22 ILE 12.138 0.222 4 0 "[ . 1 . 2 .]"
1 23 ALA 7.945 0.222 4 0 "[ . 1 . 2 .]"
1 24 ILE 1.538 0.165 3 0 "[ . 1 . 2 .]"
1 25 ALA 5.175 0.169 23 0 "[ . 1 . 2 .]"
1 26 ALA 7.156 0.169 23 0 "[ . 1 . 2 .]"
1 27 LEU 2.479 0.152 7 0 "[ . 1 . 2 .]"
1 28 GLY 1.497 0.119 7 0 "[ . 1 . 2 .]"
1 29 ALA 7.111 0.162 9 0 "[ . 1 . 2 .]"
1 30 LEU 4.307 0.162 9 0 "[ . 1 . 2 .]"
1 31 ILE 2.199 0.153 15 0 "[ . 1 . 2 .]"
1 32 LEU 0.083 0.083 15 0 "[ . 1 . 2 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 TRP 0.090 0.080 12 0 "[ . 1 . 2 .]"
1 36 CYS 0.447 0.209 24 0 "[ . 1 . 2 .]"
1 37 TYR 0.805 0.209 24 0 "[ . 1 . 2 .]"
1 38 LEU 2.965 0.232 7 0 "[ . 1 . 2 .]"
1 39 ARG 3.706 0.232 7 0 "[ . 1 . 2 .]"
1 40 LEU 1.358 0.207 3 0 "[ . 1 . 2 .]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ARG 4.814 0.215 5 0 "[ . 1 . 2 .]"
1 43 ILE 7.198 0.237 24 0 "[ . 1 . 2 .]"
1 44 SER 4.141 0.237 24 0 "[ . 1 . 2 .]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 SER 2.427 0.179 22 0 "[ . 1 . 2 .]"
1 47 GLU 3.117 0.181 11 0 "[ . 1 . 2 .]"
1 48 ASP 0.123 0.059 13 0 "[ . 1 . 2 .]"
1 49 GLU 2.432 0.174 17 0 "[ . 1 . 2 .]"
1 50 GLU 1.565 0.238 6 0 "[ . 1 . 2 .]"
1 51 SER 5.569 0.238 6 0 "[ . 1 . 2 .]"
1 52 ILE 4.736 0.380 10 0 "[ . 1 . 2 .]"
1 53 VAL 1.753 0.181 5 0 "[ . 1 . 2 .]"
1 54 GLY 0.510 0.380 10 0 "[ . 1 . 2 .]"
1 55 ASP 1.185 0.160 19 0 "[ . 1 . 2 .]"
1 56 GLY 3.325 0.239 2 0 "[ . 1 . 2 .]"
1 57 GLU 3.589 0.239 2 0 "[ . 1 . 2 .]"
1 58 THR 2.063 0.178 24 0 "[ . 1 . 2 .]"
1 59 LYS 0.361 0.177 11 0 "[ . 1 . 2 .]"
1 60 GLU 0.361 0.177 11 0 "[ . 1 . 2 .]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 PHE 4.395 0.183 5 0 "[ . 1 . 2 .]"
1 63 LEU 6.712 0.173 7 0 "[ . 1 . 2 .]"
1 64 LEU 3.250 0.164 6 0 "[ . 1 . 2 .]"
1 65 VAL 8.070 0.278 16 0 "[ . 1 . 2 .]"
1 66 GLN 7.824 0.175 23 0 "[ . 1 . 2 .]"
1 67 TYR 7.452 0.175 23 0 "[ . 1 . 2 .]"
1 68 SER 3.536 0.174 9 0 "[ . 1 . 2 .]"
1 69 ALA 6.562 0.278 16 0 "[ . 1 . 2 .]"
1 70 LYS 7.494 0.186 1 0 "[ . 1 . 2 .]"
1 71 GLY 3.551 0.156 24 0 "[ . 1 . 2 .]"
1 73 CYS 3.853 0.162 22 0 "[ . 1 . 2 .]"
1 74 VAL 8.917 0.168 17 0 "[ . 1 . 2 .]"
1 75 GLU 7.316 0.168 17 0 "[ . 1 . 2 .]"
1 76 ARG 6.633 0.150 5 0 "[ . 1 . 2 .]"
1 77 LYS 3.859 0.161 23 0 "[ . 1 . 2 .]"
1 78 ALA 7.049 0.173 13 0 "[ . 1 . 2 .]"
1 79 LYS 4.549 0.173 13 0 "[ . 1 . 2 .]"
1 80 LEU 5.569 0.177 22 0 "[ . 1 . 2 .]"
1 81 MET 3.741 0.177 22 0 "[ . 1 . 2 .]"
1 82 THR 0.430 0.196 9 0 "[ . 1 . 2 .]"
1 83 PRO 1.374 0.134 1 0 "[ . 1 . 2 .]"
1 84 ASN 2.095 0.196 9 0 "[ . 1 . 2 .]"
1 85 GLY 1.837 0.159 12 0 "[ . 1 . 2 .]"
1 86 PRO 3.514 0.158 15 0 "[ . 1 . 2 .]"
1 87 GLU 5.902 0.209 3 0 "[ . 1 . 2 .]"
1 88 VAL 4.976 0.209 3 0 "[ . 1 . 2 .]"
1 89 HIS 2.004 0.158 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 2 SER H 1 2 SER HA 2.500 . 2.800 2.756 2.355 2.978 0.178 15 0 "[ . 1 . 2 .]" 1
2 1 2 SER HA 1 3 MET H 3.000 . 3.400 2.874 2.204 3.550 0.150 9 0 "[ . 1 . 2 .]" 1
3 1 3 MET H 1 3 MET HA 3.000 . 3.400 2.934 2.355 3.011 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 MET H 1 3 MET QB 3.000 . 3.400 2.483 2.151 3.138 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 MET H 1 3 MET QG 3.000 . 3.400 2.446 1.952 2.884 . 0 0 "[ . 1 . 2 .]" 1
6 1 3 MET QB 1 4 SER H 4.000 . 4.300 3.286 1.922 4.045 . 0 0 "[ . 1 . 2 .]" 1
7 1 4 SER H 1 4 SER HA 3.000 . 3.400 2.841 2.339 3.008 . 0 0 "[ . 1 . 2 .]" 1
8 1 4 SER H 1 4 SER QB 3.000 . 3.400 2.764 2.165 3.220 . 0 0 "[ . 1 . 2 .]" 1
9 1 4 SER H 1 5 ILE H 3.000 . 3.400 2.879 2.003 3.624 0.224 1 0 "[ . 1 . 2 .]" 1
10 1 4 SER HA 1 5 ILE H 3.000 . 3.400 3.125 2.279 3.561 0.161 18 0 "[ . 1 . 2 .]" 1
11 1 4 SER QB 1 5 ILE H 4.000 . 4.300 3.364 2.288 3.939 . 0 0 "[ . 1 . 2 .]" 1
12 1 5 ILE H 1 5 ILE HA 3.000 . 3.400 2.901 2.650 2.979 . 0 0 "[ . 1 . 2 .]" 1
13 1 5 ILE H 1 5 ILE HB 3.000 . 3.400 3.556 3.497 3.620 0.220 6 0 "[ . 1 . 2 .]" 1
14 1 5 ILE H 1 5 ILE MD 3.000 . 3.400 2.502 1.835 2.865 . 0 0 "[ . 1 . 2 .]" 1
15 1 5 ILE H 1 5 ILE QG 3.000 . 3.400 1.870 1.665 2.239 0.135 1 0 "[ . 1 . 2 .]" 1
16 1 5 ILE H 1 5 ILE MG 3.000 . 3.400 2.417 1.893 2.856 . 0 0 "[ . 1 . 2 .]" 1
17 1 5 ILE HA 1 6 MET H 3.000 . 3.400 3.066 2.575 3.552 0.152 10 0 "[ . 1 . 2 .]" 1
18 1 5 ILE HB 1 6 MET H 3.000 . 3.400 2.300 1.820 3.533 0.133 15 0 "[ . 1 . 2 .]" 1
19 1 5 ILE MD 1 6 MET H 4.000 . 4.300 3.116 1.790 3.742 0.010 11 0 "[ . 1 . 2 .]" 1
20 1 5 ILE QG 1 6 MET H 4.000 . 4.300 2.841 1.747 4.054 0.053 21 0 "[ . 1 . 2 .]" 1
21 1 5 ILE MG 1 6 MET H 4.000 . 4.300 3.604 3.404 3.851 . 0 0 "[ . 1 . 2 .]" 1
22 1 6 MET H 1 6 MET HA 3.000 . 3.400 2.717 2.352 3.004 . 0 0 "[ . 1 . 2 .]" 1
23 1 6 MET H 1 6 MET QB 3.000 . 3.400 2.513 1.971 3.016 . 0 0 "[ . 1 . 2 .]" 1
24 1 6 MET H 1 6 MET QG 4.000 . 4.300 3.325 2.050 3.972 . 0 0 "[ . 1 . 2 .]" 1
25 1 6 MET HA 1 8 HIS H 3.000 . 3.400 3.460 3.087 3.755 0.355 7 0 "[ . 1 . 2 .]" 1
26 1 6 MET QB 1 7 ASP H 4.000 . 4.300 3.180 1.917 3.970 . 0 0 "[ . 1 . 2 .]" 1
27 1 7 ASP H 1 7 ASP HA 3.000 . 3.400 2.670 2.347 3.008 . 0 0 "[ . 1 . 2 .]" 1
28 1 7 ASP H 1 7 ASP QB 3.000 . 3.400 2.582 2.020 3.007 . 0 0 "[ . 1 . 2 .]" 1
29 1 7 ASP HA 1 8 HIS H 4.000 . 4.300 3.467 2.946 3.608 . 0 0 "[ . 1 . 2 .]" 1
30 1 7 ASP QB 1 8 HIS H 4.000 . 4.300 2.977 2.100 3.801 . 0 0 "[ . 1 . 2 .]" 1
31 1 8 HIS H 1 8 HIS QB 3.000 . 3.400 2.384 1.919 3.008 . 0 0 "[ . 1 . 2 .]" 1
32 1 8 HIS H 1 9 SER H 3.000 . 3.400 2.715 1.815 3.451 0.051 19 0 "[ . 1 . 2 .]" 1
33 1 8 HIS HA 1 9 SER H 3.000 . 3.400 3.110 2.574 3.554 0.154 11 0 "[ . 1 . 2 .]" 1
34 1 9 SER H 1 9 SER HA 2.500 . 2.800 2.807 2.345 2.982 0.182 2 0 "[ . 1 . 2 .]" 1
35 1 9 SER H 1 9 SER QB 3.000 . 3.400 2.620 1.983 3.007 . 0 0 "[ . 1 . 2 .]" 1
36 1 10 PRO HA 1 11 THR H 3.000 . 3.400 2.908 2.242 3.590 0.190 25 0 "[ . 1 . 2 .]" 1
37 1 10 PRO QB 1 11 THR H 4.000 . 4.300 3.331 1.792 4.010 0.008 19 0 "[ . 1 . 2 .]" 1
38 1 11 THR H 1 11 THR HA 3.000 . 3.400 2.856 2.804 2.968 . 0 0 "[ . 1 . 2 .]" 1
39 1 11 THR H 1 11 THR HB 3.000 . 3.400 3.038 1.962 3.520 0.120 9 0 "[ . 1 . 2 .]" 1
40 1 11 THR H 1 11 THR HG1 3.000 . 3.400 2.218 1.902 2.953 . 0 0 "[ . 1 . 2 .]" 1
41 1 11 THR H 1 12 THR H 2.500 . 2.800 2.750 1.967 2.931 0.131 14 0 "[ . 1 . 2 .]" 1
42 1 11 THR H 1 13 GLY H 4.000 . 4.300 4.029 3.155 4.363 0.063 16 0 "[ . 1 . 2 .]" 1
43 1 11 THR HB 1 12 THR H 4.000 . 4.300 3.453 2.404 4.012 . 0 0 "[ . 1 . 2 .]" 1
44 1 12 THR H 1 12 THR HA 3.000 . 3.400 2.850 2.799 2.880 . 0 0 "[ . 1 . 2 .]" 1
45 1 12 THR H 1 12 THR HB 3.000 . 3.400 3.126 2.259 3.561 0.161 24 0 "[ . 1 . 2 .]" 1
46 1 12 THR H 1 12 THR HG1 3.000 . 3.400 2.296 1.770 2.670 0.030 24 0 "[ . 1 . 2 .]" 1
47 1 12 THR H 1 13 GLY H 4.000 . 4.300 2.699 2.605 2.814 . 0 0 "[ . 1 . 2 .]" 1
48 1 12 THR HA 1 13 GLY H 3.000 . 3.400 3.528 3.505 3.554 0.154 20 0 "[ . 1 . 2 .]" 1
49 1 12 THR HA 1 16 THR H 4.000 . 4.300 3.838 3.565 4.024 . 0 0 "[ . 1 . 2 .]" 1
50 1 13 GLY H 1 14 VAL H 3.000 . 3.400 2.712 2.545 2.907 . 0 0 "[ . 1 . 2 .]" 1
51 1 13 GLY QA 1 14 VAL H 3.000 . 3.400 2.607 2.554 2.646 . 0 0 "[ . 1 . 2 .]" 1
52 1 13 GLY QA 1 15 VAL H 4.000 . 4.300 3.968 3.881 4.054 . 0 0 "[ . 1 . 2 .]" 1
53 1 14 VAL H 1 14 VAL HA 3.000 . 3.400 2.846 2.815 2.875 . 0 0 "[ . 1 . 2 .]" 1
54 1 14 VAL H 1 14 VAL HB 3.000 . 3.400 2.592 2.209 3.549 0.149 11 0 "[ . 1 . 2 .]" 1
55 1 14 VAL H 1 14 VAL QG 4.000 . 4.500 2.174 1.767 2.485 0.033 12 0 "[ . 1 . 2 .]" 1
56 1 14 VAL H 1 15 VAL H 3.000 . 3.400 2.766 2.687 2.909 . 0 0 "[ . 1 . 2 .]" 1
57 1 14 VAL HA 1 18 ILE H 4.000 . 4.300 3.982 3.855 4.066 . 0 0 "[ . 1 . 2 .]" 1
58 1 15 VAL H 1 15 VAL HA 3.000 . 3.400 2.900 2.876 2.912 . 0 0 "[ . 1 . 2 .]" 1
59 1 15 VAL H 1 15 VAL HB 3.000 . 3.400 2.281 2.182 3.556 0.156 4 0 "[ . 1 . 2 .]" 1
60 1 15 VAL H 1 15 VAL QG 4.000 . 4.500 2.413 1.697 2.545 0.103 4 0 "[ . 1 . 2 .]" 1
61 1 15 VAL H 1 16 THR H 3.000 . 3.400 2.596 2.527 2.708 . 0 0 "[ . 1 . 2 .]" 1
62 1 15 VAL H 1 17 VAL H 4.000 . 4.300 4.260 4.112 4.328 0.028 11 0 "[ . 1 . 2 .]" 1
63 1 15 VAL HA 1 16 THR H 3.000 . 3.400 3.545 3.532 3.570 0.170 9 0 "[ . 1 . 2 .]" 1
64 1 15 VAL HA 1 18 ILE H 3.000 . 3.400 3.446 3.331 3.504 0.104 21 0 "[ . 1 . 2 .]" 1
65 1 15 VAL HA 1 19 VAL H 4.000 . 4.300 3.847 3.671 4.021 . 0 0 "[ . 1 . 2 .]" 1
66 1 15 VAL HB 1 16 THR H 3.000 . 3.400 2.604 2.395 3.529 0.129 4 0 "[ . 1 . 2 .]" 1
67 1 15 VAL QG 1 16 THR H 4.000 . 5.000 2.965 1.838 3.137 . 0 0 "[ . 1 . 2 .]" 1
68 1 16 THR H 1 16 THR HA 3.000 . 3.400 2.847 2.821 2.869 . 0 0 "[ . 1 . 2 .]" 1
69 1 16 THR H 1 16 THR HB 3.000 . 3.400 2.547 2.387 3.536 0.136 9 0 "[ . 1 . 2 .]" 1
70 1 16 THR H 1 16 THR HG1 4.000 . 5.000 2.096 1.832 2.205 . 0 0 "[ . 1 . 2 .]" 1
71 1 16 THR H 1 17 VAL H 3.000 . 3.400 2.828 2.734 2.901 . 0 0 "[ . 1 . 2 .]" 1
72 1 16 THR HA 1 17 VAL H 3.000 . 3.400 3.572 3.551 3.581 0.181 20 0 "[ . 1 . 2 .]" 1
73 1 16 THR HA 1 19 VAL H 4.000 . 4.300 3.667 3.478 3.825 . 0 0 "[ . 1 . 2 .]" 1
74 1 16 THR HA 1 20 ILE H 4.000 . 4.300 4.053 3.946 4.137 . 0 0 "[ . 1 . 2 .]" 1
75 1 16 THR HB 1 17 VAL H 4.000 . 4.300 2.487 2.283 3.573 . 0 0 "[ . 1 . 2 .]" 1
76 1 17 VAL H 1 17 VAL HA 3.000 . 3.400 2.876 2.861 2.903 . 0 0 "[ . 1 . 2 .]" 1
77 1 17 VAL H 1 17 VAL HB 3.000 . 3.400 3.498 2.729 3.573 0.173 9 0 "[ . 1 . 2 .]" 1
78 1 17 VAL H 1 17 VAL QG 4.000 . 5.000 1.812 1.732 1.971 0.068 7 0 "[ . 1 . 2 .]" 1
79 1 17 VAL H 1 18 ILE H 3.000 . 3.400 2.728 2.644 2.887 . 0 0 "[ . 1 . 2 .]" 1
80 1 17 VAL HA 1 21 LEU H 4.000 . 4.500 3.671 3.579 3.786 . 0 0 "[ . 1 . 2 .]" 1
81 1 17 VAL HB 1 18 ILE H 4.000 . 4.300 3.669 2.540 3.886 . 0 0 "[ . 1 . 2 .]" 1
82 1 17 VAL HB 1 21 LEU H 4.000 . 4.700 4.761 4.642 5.008 0.308 13 0 "[ . 1 . 2 .]" 1
83 1 18 ILE H 1 18 ILE HA 3.000 . 3.400 2.896 2.872 2.912 . 0 0 "[ . 1 . 2 .]" 1
84 1 18 ILE H 1 18 ILE HB 3.000 . 3.400 2.634 2.158 3.595 0.195 17 0 "[ . 1 . 2 .]" 1
85 1 18 ILE H 1 18 ILE QG 3.000 . 3.400 2.394 1.968 2.602 . 0 0 "[ . 1 . 2 .]" 1
86 1 18 ILE H 1 18 ILE MG 4.000 . 4.500 3.204 2.054 3.687 . 0 0 "[ . 1 . 2 .]" 1
87 1 18 ILE H 1 19 VAL H 3.000 . 3.400 2.630 2.573 2.755 . 0 0 "[ . 1 . 2 .]" 1
88 1 18 ILE HA 1 19 VAL H 3.000 . 3.400 3.541 3.511 3.584 0.184 20 0 "[ . 1 . 2 .]" 1
89 1 18 ILE HA 1 21 LEU H 3.000 . 3.400 3.412 3.251 3.474 0.074 13 0 "[ . 1 . 2 .]" 1
90 1 18 ILE HA 1 22 ILE H 3.000 . 3.400 3.562 3.468 3.617 0.217 4 0 "[ . 1 . 2 .]" 1
91 1 18 ILE HB 1 19 VAL H 4.000 . 4.300 3.053 2.605 3.892 . 0 0 "[ . 1 . 2 .]" 1
92 1 18 ILE MG 1 19 VAL H 4.000 . 4.700 3.338 2.783 3.953 . 0 0 "[ . 1 . 2 .]" 1
93 1 19 VAL H 1 19 VAL HA 3.000 . 3.400 2.893 2.871 2.912 . 0 0 "[ . 1 . 2 .]" 1
94 1 19 VAL H 1 19 VAL HB 3.000 . 3.400 2.359 2.191 3.577 0.177 6 0 "[ . 1 . 2 .]" 1
95 1 19 VAL H 1 19 VAL QG 4.000 . 5.000 2.358 1.750 2.561 0.050 6 0 "[ . 1 . 2 .]" 1
96 1 19 VAL H 1 20 ILE H 3.000 . 3.400 2.660 2.578 2.784 . 0 0 "[ . 1 . 2 .]" 1
97 1 19 VAL HA 1 22 ILE H 3.000 . 3.400 3.516 3.469 3.604 0.204 18 0 "[ . 1 . 2 .]" 1
98 1 20 ILE H 1 20 ILE HA 3.000 . 3.400 2.878 2.865 2.901 . 0 0 "[ . 1 . 2 .]" 1
99 1 20 ILE H 1 20 ILE HB 3.000 . 3.400 2.599 2.218 3.575 0.175 14 0 "[ . 1 . 2 .]" 1
100 1 20 ILE H 1 20 ILE MD 4.000 . 5.000 3.481 3.155 3.818 . 0 0 "[ . 1 . 2 .]" 1
101 1 20 ILE H 1 20 ILE QG 3.000 . 3.400 2.198 2.020 2.371 . 0 0 "[ . 1 . 2 .]" 1
102 1 20 ILE H 1 20 ILE MG 4.000 . 4.500 3.322 2.018 3.715 . 0 0 "[ . 1 . 2 .]" 1
103 1 20 ILE H 1 21 LEU H 3.000 . 3.400 2.660 2.528 2.733 . 0 0 "[ . 1 . 2 .]" 1
104 1 20 ILE HA 1 21 LEU H 3.000 . 3.400 3.551 3.520 3.573 0.173 13 0 "[ . 1 . 2 .]" 1
105 1 20 ILE HA 1 23 ALA H 3.000 . 3.400 3.470 3.382 3.555 0.155 17 0 "[ . 1 . 2 .]" 1
106 1 20 ILE HA 1 24 ILE H 4.000 . 4.300 3.866 3.718 3.940 . 0 0 "[ . 1 . 2 .]" 1
107 1 20 ILE QG 1 21 LEU H 4.000 . 4.500 3.538 1.842 4.091 . 0 0 "[ . 1 . 2 .]" 1
108 1 21 LEU H 1 21 LEU HA 3.000 . 3.400 2.874 2.856 2.918 . 0 0 "[ . 1 . 2 .]" 1
109 1 21 LEU H 1 21 LEU QB 3.000 . 3.400 2.080 1.974 2.225 . 0 0 "[ . 1 . 2 .]" 1
110 1 21 LEU H 1 21 LEU QD 4.000 . 5.000 3.265 3.096 3.532 . 0 0 "[ . 1 . 2 .]" 1
111 1 21 LEU H 1 21 LEU HG 3.000 . 3.400 2.897 2.383 3.430 0.030 18 0 "[ . 1 . 2 .]" 1
112 1 21 LEU H 1 22 ILE H 3.000 . 3.400 2.758 2.584 2.888 . 0 0 "[ . 1 . 2 .]" 1
113 1 21 LEU HA 1 22 ILE H 4.000 . 4.300 3.605 3.581 3.644 . 0 0 "[ . 1 . 2 .]" 1
114 1 21 LEU HA 1 24 ILE H 3.000 . 3.400 3.428 3.296 3.500 0.100 18 0 "[ . 1 . 2 .]" 1
115 1 22 ILE H 1 22 ILE HA 3.000 . 3.400 2.862 2.845 2.883 . 0 0 "[ . 1 . 2 .]" 1
116 1 22 ILE H 1 22 ILE HB 3.000 . 3.400 2.431 2.178 3.574 0.174 16 0 "[ . 1 . 2 .]" 1
117 1 22 ILE H 1 22 ILE MD 4.000 . 5.000 3.518 3.292 3.751 . 0 0 "[ . 1 . 2 .]" 1
118 1 22 ILE H 1 22 ILE QG 4.000 . 4.500 2.348 1.874 2.541 . 0 0 "[ . 1 . 2 .]" 1
119 1 22 ILE H 1 22 ILE MG 4.000 . 4.500 3.423 2.021 3.699 . 0 0 "[ . 1 . 2 .]" 1
120 1 22 ILE HA 1 23 ALA H 3.000 . 3.400 3.550 3.524 3.562 0.162 15 0 "[ . 1 . 2 .]" 1
121 1 22 ILE HA 1 25 ALA H 4.000 . 4.300 3.595 3.404 3.697 . 0 0 "[ . 1 . 2 .]" 1
122 1 22 ILE HA 1 26 ALA H 4.000 . 4.300 3.842 3.766 3.880 . 0 0 "[ . 1 . 2 .]" 1
123 1 22 ILE HB 1 23 ALA H 3.000 . 3.400 2.761 2.542 3.622 0.222 4 0 "[ . 1 . 2 .]" 1
124 1 22 ILE MG 1 23 ALA H 4.000 . 4.500 3.177 2.909 3.873 . 0 0 "[ . 1 . 2 .]" 1
125 1 23 ALA H 1 23 ALA HA 3.000 . 3.400 2.877 2.865 2.888 . 0 0 "[ . 1 . 2 .]" 1
126 1 23 ALA H 1 23 ALA MB 2.500 . 2.800 2.070 1.940 2.160 . 0 0 "[ . 1 . 2 .]" 1
127 1 23 ALA HA 1 24 ILE H 4.000 . 4.300 3.600 3.584 3.641 . 0 0 "[ . 1 . 2 .]" 1
128 1 23 ALA HA 1 26 ALA H 3.000 . 3.400 3.467 3.432 3.483 0.083 13 0 "[ . 1 . 2 .]" 1
129 1 23 ALA MB 1 24 ILE H 3.000 . 3.400 2.421 2.309 2.580 . 0 0 "[ . 1 . 2 .]" 1
130 1 24 ILE H 1 24 ILE HA 3.000 . 3.400 2.866 2.853 2.879 . 0 0 "[ . 1 . 2 .]" 1
131 1 24 ILE H 1 24 ILE HB 3.000 . 3.400 2.471 2.175 3.565 0.165 3 0 "[ . 1 . 2 .]" 1
132 1 24 ILE H 1 24 ILE QG 4.000 . 4.500 2.262 2.046 2.471 . 0 0 "[ . 1 . 2 .]" 1
133 1 24 ILE H 1 24 ILE MG 4.000 . 4.500 3.429 1.981 3.706 . 0 0 "[ . 1 . 2 .]" 1
134 1 24 ILE HA 1 25 ALA H 4.000 . 4.300 3.578 3.550 3.590 . 0 0 "[ . 1 . 2 .]" 1
135 1 24 ILE HA 1 27 LEU H 4.000 . 4.300 3.529 3.376 3.692 . 0 0 "[ . 1 . 2 .]" 1
136 1 24 ILE HB 1 25 ALA H 4.000 . 4.300 2.683 2.371 3.806 . 0 0 "[ . 1 . 2 .]" 1
137 1 24 ILE MG 1 25 ALA H 4.000 . 4.500 3.188 2.919 3.817 . 0 0 "[ . 1 . 2 .]" 1
138 1 25 ALA H 1 25 ALA HA 3.000 . 3.400 2.866 2.852 2.887 . 0 0 "[ . 1 . 2 .]" 1
139 1 25 ALA H 1 25 ALA MB 2.500 . 2.800 2.072 1.936 2.156 . 0 0 "[ . 1 . 2 .]" 1
140 1 25 ALA H 1 26 ALA H 3.000 . 3.400 2.714 2.641 2.755 . 0 0 "[ . 1 . 2 .]" 1
141 1 25 ALA HA 1 26 ALA H 3.000 . 3.400 3.560 3.552 3.569 0.169 23 0 "[ . 1 . 2 .]" 1
142 1 25 ALA HA 1 28 GLY H 3.000 . 3.400 3.447 3.406 3.475 0.075 7 0 "[ . 1 . 2 .]" 1
143 1 25 ALA HA 1 29 ALA H 4.000 . 4.300 3.882 3.792 4.057 . 0 0 "[ . 1 . 2 .]" 1
144 1 25 ALA MB 1 26 ALA H 4.000 . 4.300 2.428 2.305 2.581 . 0 0 "[ . 1 . 2 .]" 1
145 1 26 ALA H 1 26 ALA HA 3.000 . 3.400 2.871 2.859 2.880 . 0 0 "[ . 1 . 2 .]" 1
146 1 26 ALA H 1 26 ALA MB 2.500 . 2.800 2.080 1.951 2.164 . 0 0 "[ . 1 . 2 .]" 1
147 1 26 ALA H 1 27 LEU H 3.000 . 3.400 2.716 2.665 2.782 . 0 0 "[ . 1 . 2 .]" 1
148 1 26 ALA HA 1 29 ALA H 3.000 . 3.400 3.459 3.423 3.485 0.085 12 0 "[ . 1 . 2 .]" 1
149 1 26 ALA MB 1 27 LEU H 3.000 . 3.400 2.447 2.328 2.581 . 0 0 "[ . 1 . 2 .]" 1
150 1 27 LEU H 1 27 LEU HA 3.000 . 3.400 2.866 2.851 2.876 . 0 0 "[ . 1 . 2 .]" 1
151 1 27 LEU H 1 27 LEU QB 3.000 . 3.400 2.128 2.102 2.154 . 0 0 "[ . 1 . 2 .]" 1
152 1 27 LEU H 1 27 LEU QD 4.000 . 5.000 3.574 3.513 3.633 . 0 0 "[ . 1 . 2 .]" 1
153 1 27 LEU H 1 27 LEU HG 4.000 . 4.300 4.360 4.335 4.452 0.152 7 0 "[ . 1 . 2 .]" 1
154 1 27 LEU H 1 28 GLY H 4.000 . 4.300 2.727 2.683 2.792 . 0 0 "[ . 1 . 2 .]" 1
155 1 27 LEU HA 1 28 GLY H 4.000 . 4.300 3.590 3.585 3.597 . 0 0 "[ . 1 . 2 .]" 1
156 1 27 LEU HA 1 30 LEU H 3.000 . 3.400 3.422 3.315 3.464 0.064 11 0 "[ . 1 . 2 .]" 1
157 1 27 LEU QB 1 28 GLY H 4.000 . 4.300 2.407 2.157 2.495 . 0 0 "[ . 1 . 2 .]" 1
158 1 27 LEU QD 1 28 GLY H 4.000 . 4.300 2.615 2.469 2.749 . 0 0 "[ . 1 . 2 .]" 1
159 1 27 LEU HG 1 28 GLY H 4.000 . 4.300 3.903 3.723 4.419 0.119 7 0 "[ . 1 . 2 .]" 1
160 1 28 GLY H 1 29 ALA H 4.000 . 4.300 2.761 2.708 2.812 . 0 0 "[ . 1 . 2 .]" 1
161 1 28 GLY QA 1 29 ALA H 4.000 . 4.300 2.703 2.671 2.764 . 0 0 "[ . 1 . 2 .]" 1
162 1 28 GLY QA 1 30 LEU H 4.000 . 5.000 4.153 4.076 4.269 . 0 0 "[ . 1 . 2 .]" 1
163 1 29 ALA H 1 29 ALA HA 3.000 . 3.400 2.872 2.851 2.921 . 0 0 "[ . 1 . 2 .]" 1
164 1 29 ALA H 1 29 ALA MB 2.500 . 2.800 2.087 1.932 2.177 . 0 0 "[ . 1 . 2 .]" 1
165 1 29 ALA H 1 30 LEU H 3.000 . 3.400 2.679 2.475 2.762 . 0 0 "[ . 1 . 2 .]" 1
166 1 29 ALA HA 1 30 LEU H 3.000 . 3.400 3.547 3.526 3.562 0.162 9 0 "[ . 1 . 2 .]" 1
167 1 29 ALA HA 1 31 ILE H 4.000 . 4.300 4.378 4.348 4.423 0.123 24 0 "[ . 1 . 2 .]" 1
168 1 29 ALA MB 1 30 LEU H 3.000 . 3.400 2.422 2.307 2.613 . 0 0 "[ . 1 . 2 .]" 1
169 1 30 LEU H 1 30 LEU HA 3.000 . 3.400 2.860 2.824 2.877 . 0 0 "[ . 1 . 2 .]" 1
170 1 30 LEU H 1 30 LEU QB 3.000 . 3.400 2.067 1.961 2.125 . 0 0 "[ . 1 . 2 .]" 1
171 1 30 LEU H 1 30 LEU QD 4.000 . 5.000 3.199 3.103 3.392 . 0 0 "[ . 1 . 2 .]" 1
172 1 30 LEU H 1 30 LEU HG 3.000 . 3.400 2.854 2.685 3.299 . 0 0 "[ . 1 . 2 .]" 1
173 1 30 LEU H 1 31 ILE H 4.000 . 4.300 2.719 2.655 2.853 . 0 0 "[ . 1 . 2 .]" 1
174 1 30 LEU HA 1 31 ILE H 4.000 . 4.300 3.572 3.562 3.592 . 0 0 "[ . 1 . 2 .]" 1
175 1 30 LEU QB 1 31 ILE H 4.000 . 4.300 2.672 2.545 3.301 . 0 0 "[ . 1 . 2 .]" 1
176 1 31 ILE H 1 31 ILE HA 3.000 . 3.400 2.907 2.889 2.919 . 0 0 "[ . 1 . 2 .]" 1
177 1 31 ILE H 1 31 ILE HB 3.000 . 3.400 2.281 2.102 3.553 0.153 15 0 "[ . 1 . 2 .]" 1
178 1 31 ILE H 1 31 ILE QG 4.000 . 5.000 2.371 1.933 2.836 . 0 0 "[ . 1 . 2 .]" 1
179 1 31 ILE H 1 31 ILE MG 4.000 . 5.000 3.634 2.623 3.724 . 0 0 "[ . 1 . 2 .]" 1
180 1 31 ILE H 1 32 LEU H 4.000 . 4.300 2.646 2.585 2.720 . 0 0 "[ . 1 . 2 .]" 1
181 1 31 ILE HA 1 32 LEU H 4.000 . 4.300 3.587 3.565 3.603 . 0 0 "[ . 1 . 2 .]" 1
182 1 31 ILE HB 1 32 LEU H 3.000 . 3.400 2.521 2.311 3.483 0.083 15 0 "[ . 1 . 2 .]" 1
183 1 32 LEU H 1 32 LEU HA 3.000 . 3.400 2.852 2.828 2.894 . 0 0 "[ . 1 . 2 .]" 1
184 1 32 LEU H 1 32 LEU QB 3.000 . 3.400 2.055 1.930 2.195 . 0 0 "[ . 1 . 2 .]" 1
185 1 32 LEU H 1 32 LEU HG 4.000 . 4.500 4.153 3.090 4.384 . 0 0 "[ . 1 . 2 .]" 1
186 1 32 LEU H 1 33 GLY H 4.000 . 4.300 2.800 2.673 2.875 . 0 0 "[ . 1 . 2 .]" 1
187 1 32 LEU QB 1 33 GLY H 4.000 . 4.300 2.419 2.272 2.606 . 0 0 "[ . 1 . 2 .]" 1
188 1 33 GLY H 1 34 CYS H 4.000 . 4.300 2.733 2.595 2.895 . 0 0 "[ . 1 . 2 .]" 1
189 1 33 GLY QA 1 34 CYS H 4.000 . 5.000 2.702 2.575 2.801 . 0 0 "[ . 1 . 2 .]" 1
190 1 33 GLY QA 1 35 TRP H 4.000 . 4.700 4.139 3.916 4.310 . 0 0 "[ . 1 . 2 .]" 1
191 1 33 GLY QA 1 36 CYS H 4.000 . 5.000 3.732 3.277 4.201 . 0 0 "[ . 1 . 2 .]" 1
192 1 34 CYS H 1 35 TRP H 4.000 . 4.300 2.749 2.520 2.939 . 0 0 "[ . 1 . 2 .]" 1
193 1 35 TRP H 1 35 TRP HA 3.000 . 3.400 2.926 2.870 3.011 . 0 0 "[ . 1 . 2 .]" 1
194 1 35 TRP H 1 35 TRP QB 3.000 . 3.400 2.302 1.943 2.916 . 0 0 "[ . 1 . 2 .]" 1
195 1 35 TRP QB 1 36 CYS H 4.000 . 4.300 2.970 2.124 3.971 . 0 0 "[ . 1 . 2 .]" 1
196 1 35 TRP HE1 1 39 ARG HA 4.000 . 5.000 4.190 2.599 5.080 0.080 12 0 "[ . 1 . 2 .]" 1
197 1 36 CYS H 1 37 TYR H 4.000 . 4.300 3.619 2.157 4.509 0.209 24 0 "[ . 1 . 2 .]" 1
198 1 37 TYR H 1 37 TYR QB 3.000 . 3.400 2.413 1.969 2.912 . 0 0 "[ . 1 . 2 .]" 1
199 1 37 TYR H 1 39 ARG H 4.000 . 4.300 3.944 2.571 4.376 0.076 15 0 "[ . 1 . 2 .]" 1
200 1 37 TYR HA 1 38 LEU H 4.000 . 4.300 3.282 2.155 3.614 . 0 0 "[ . 1 . 2 .]" 1
201 1 37 TYR QB 1 38 LEU H 4.000 . 4.300 2.756 1.975 3.935 . 0 0 "[ . 1 . 2 .]" 1
202 1 38 LEU H 1 38 LEU QB 3.000 . 3.400 2.528 2.079 3.037 . 0 0 "[ . 1 . 2 .]" 1
203 1 38 LEU H 1 38 LEU QD 4.000 . 5.000 3.026 2.068 3.881 . 0 0 "[ . 1 . 2 .]" 1
204 1 38 LEU H 1 38 LEU HG 4.000 . 5.000 3.086 1.776 4.826 0.024 11 0 "[ . 1 . 2 .]" 1
205 1 38 LEU H 1 39 ARG H 4.000 . 4.300 2.586 2.031 3.817 . 0 0 "[ . 1 . 2 .]" 1
206 1 38 LEU HA 1 39 ARG H 3.000 . 3.400 3.414 2.921 3.560 0.160 10 0 "[ . 1 . 2 .]" 1
207 1 38 LEU HG 1 39 ARG H 3.000 . 3.400 3.108 2.370 3.632 0.232 7 0 "[ . 1 . 2 .]" 1
208 1 39 ARG H 1 39 ARG QB 3.000 . 3.400 2.746 2.281 3.103 . 0 0 "[ . 1 . 2 .]" 1
209 1 39 ARG H 1 39 ARG QG 4.000 . 4.300 3.338 1.902 4.002 . 0 0 "[ . 1 . 2 .]" 1
210 1 39 ARG H 1 40 LEU H 3.000 . 3.400 2.847 2.094 3.558 0.158 25 0 "[ . 1 . 2 .]" 1
211 1 39 ARG QB 1 40 LEU H 4.000 . 4.300 3.409 1.793 4.042 0.007 19 0 "[ . 1 . 2 .]" 1
212 1 40 LEU H 1 40 LEU QB 3.000 . 3.400 2.487 1.942 3.101 . 0 0 "[ . 1 . 2 .]" 1
213 1 40 LEU H 1 40 LEU QD 4.000 . 5.000 3.146 2.300 3.659 . 0 0 "[ . 1 . 2 .]" 1
214 1 40 LEU H 1 40 LEU HG 4.000 . 5.000 3.790 2.350 4.709 . 0 0 "[ . 1 . 2 .]" 1
215 1 40 LEU HA 1 41 GLN H 4.000 . 4.300 2.790 2.221 3.594 . 0 0 "[ . 1 . 2 .]" 1
216 1 40 LEU HA 1 42 ARG H 3.000 . 3.400 3.351 3.082 3.607 0.207 3 0 "[ . 1 . 2 .]" 1
217 1 41 GLN H 1 41 GLN HA 3.000 . 3.400 2.788 2.349 3.001 . 0 0 "[ . 1 . 2 .]" 1
218 1 42 ARG H 1 42 ARG QB 2.500 . 2.800 2.404 1.994 2.874 0.074 12 0 "[ . 1 . 2 .]" 1
219 1 42 ARG H 1 44 SER H 3.000 . 3.400 3.362 2.801 3.615 0.215 5 0 "[ . 1 . 2 .]" 1
220 1 42 ARG HA 1 43 ILE H 3.000 . 3.400 3.385 3.005 3.567 0.167 24 0 "[ . 1 . 2 .]" 1
221 1 42 ARG QG 1 43 ILE H 3.000 . 3.400 2.362 1.985 2.826 . 0 0 "[ . 1 . 2 .]" 1
222 1 42 ARG QG 1 44 SER H 4.000 . 5.000 4.279 1.807 4.683 . 0 0 "[ . 1 . 2 .]" 1
223 1 43 ILE H 1 43 ILE HA 3.000 . 3.400 2.865 2.755 2.980 . 0 0 "[ . 1 . 2 .]" 1
224 1 43 ILE H 1 43 ILE HB 3.000 . 3.400 2.919 1.793 3.597 0.197 21 0 "[ . 1 . 2 .]" 1
225 1 43 ILE H 1 43 ILE QG 3.000 . 3.400 2.405 1.827 3.374 . 0 0 "[ . 1 . 2 .]" 1
226 1 43 ILE H 1 43 ILE MG 3.000 . 3.400 2.615 2.070 3.100 . 0 0 "[ . 1 . 2 .]" 1
227 1 43 ILE HA 1 44 SER H 4.000 . 4.300 3.501 3.442 3.569 . 0 0 "[ . 1 . 2 .]" 1
228 1 43 ILE HB 1 44 SER H 3.000 . 3.400 3.489 2.967 3.637 0.237 24 0 "[ . 1 . 2 .]" 1
229 1 43 ILE MG 1 44 SER H 4.000 . 4.500 3.431 2.300 3.967 . 0 0 "[ . 1 . 2 .]" 1
230 1 44 SER H 1 44 SER HA 3.000 . 3.400 2.491 2.346 2.987 . 0 0 "[ . 1 . 2 .]" 1
231 1 44 SER H 1 44 SER QB 3.000 . 3.400 2.911 2.183 3.199 . 0 0 "[ . 1 . 2 .]" 1
232 1 44 SER QB 1 45 GLN H 4.000 . 4.300 3.103 1.819 3.982 . 0 0 "[ . 1 . 2 .]" 1
233 1 45 GLN H 1 45 GLN HA 3.000 . 3.400 2.812 2.334 3.011 . 0 0 "[ . 1 . 2 .]" 1
234 1 45 GLN H 1 45 GLN QB 3.000 . 3.400 2.614 2.070 3.118 . 0 0 "[ . 1 . 2 .]" 1
235 1 45 GLN H 1 45 GLN QG 3.000 . 3.400 2.633 1.878 3.140 . 0 0 "[ . 1 . 2 .]" 1
236 1 45 GLN QB 1 46 SER H 4.000 . 4.300 3.032 1.842 4.003 . 0 0 "[ . 1 . 2 .]" 1
237 1 46 SER H 1 46 SER HA 2.500 . 2.800 2.773 2.362 2.979 0.179 22 0 "[ . 1 . 2 .]" 1
238 1 46 SER H 1 46 SER QB 3.000 . 3.400 2.727 1.993 3.165 . 0 0 "[ . 1 . 2 .]" 1
239 1 46 SER H 1 47 GLU H 3.000 . 3.400 2.707 2.144 3.437 0.037 23 0 "[ . 1 . 2 .]" 1
240 1 46 SER QB 1 47 GLU H 4.000 . 4.300 3.466 1.923 3.964 . 0 0 "[ . 1 . 2 .]" 1
241 1 47 GLU H 1 47 GLU HA 2.500 . 2.800 2.846 2.348 2.981 0.181 11 0 "[ . 1 . 2 .]" 1
242 1 47 GLU H 1 47 GLU QB 3.000 . 3.400 2.511 2.053 3.063 . 0 0 "[ . 1 . 2 .]" 1
243 1 47 GLU H 1 47 GLU QG 4.000 . 5.000 2.944 2.089 3.919 . 0 0 "[ . 1 . 2 .]" 1
244 1 47 GLU HA 1 48 ASP H 2.500 . 2.800 2.509 2.238 2.859 0.059 13 0 "[ . 1 . 2 .]" 1
245 1 47 GLU QB 1 48 ASP H 3.000 . 3.400 2.524 1.890 2.950 . 0 0 "[ . 1 . 2 .]" 1
246 1 47 GLU QG 1 48 ASP H 4.000 . 5.000 3.552 2.033 4.142 . 0 0 "[ . 1 . 2 .]" 1
247 1 48 ASP H 1 48 ASP HA 3.000 . 3.400 2.790 2.335 3.001 . 0 0 "[ . 1 . 2 .]" 1
248 1 48 ASP HA 1 49 GLU H 4.000 . 4.300 2.936 2.209 3.603 . 0 0 "[ . 1 . 2 .]" 1
249 1 49 GLU H 1 49 GLU HA 2.500 . 2.800 2.791 2.345 2.974 0.174 17 0 "[ . 1 . 2 .]" 1
250 1 49 GLU H 1 49 GLU QB 3.000 . 3.400 2.469 1.949 2.936 . 0 0 "[ . 1 . 2 .]" 1
251 1 49 GLU H 1 49 GLU QG 4.000 . 5.000 3.636 1.992 4.328 . 0 0 "[ . 1 . 2 .]" 1
252 1 50 GLU H 1 51 SER H 4.000 . 4.300 3.922 2.391 4.538 0.238 6 0 "[ . 1 . 2 .]" 1
253 1 50 GLU HA 1 51 SER H 3.000 . 3.400 2.614 2.160 3.553 0.153 25 0 "[ . 1 . 2 .]" 1
254 1 50 GLU QG 1 51 SER H 4.000 . 4.300 3.275 2.317 4.039 . 0 0 "[ . 1 . 2 .]" 1
255 1 51 SER H 1 51 SER QB 3.000 . 3.400 2.823 2.384 3.165 . 0 0 "[ . 1 . 2 .]" 1
256 1 51 SER H 1 53 VAL H 3.000 . 3.400 3.200 2.417 3.581 0.181 5 0 "[ . 1 . 2 .]" 1
257 1 51 SER HA 1 52 ILE H 3.000 . 3.400 3.445 2.417 3.566 0.166 22 0 "[ . 1 . 2 .]" 1
258 1 51 SER QB 1 52 ILE H 4.000 . 4.300 2.911 2.008 3.910 . 0 0 "[ . 1 . 2 .]" 1
259 1 52 ILE H 1 52 ILE HB 3.000 . 3.400 2.817 2.112 3.576 0.176 24 0 "[ . 1 . 2 .]" 1
260 1 52 ILE H 1 52 ILE MD 4.000 . 4.300 3.238 2.364 3.768 . 0 0 "[ . 1 . 2 .]" 1
261 1 52 ILE H 1 52 ILE QG 4.000 . 4.300 2.385 1.829 4.055 . 0 0 "[ . 1 . 2 .]" 1
262 1 52 ILE H 1 52 ILE MG 4.000 . 4.300 3.136 1.849 3.907 . 0 0 "[ . 1 . 2 .]" 1
263 1 52 ILE H 1 53 VAL H 3.000 . 3.400 2.524 1.875 3.465 0.065 24 0 "[ . 1 . 2 .]" 1
264 1 52 ILE H 1 54 GLY H 4.000 . 4.300 4.009 3.230 4.680 0.380 10 0 "[ . 1 . 2 .]" 1
265 1 52 ILE HB 1 53 VAL H 4.000 . 4.300 2.838 2.084 4.282 . 0 0 "[ . 1 . 2 .]" 1
266 1 52 ILE QG 1 53 VAL H 4.000 . 4.300 3.348 1.811 4.051 . 0 0 "[ . 1 . 2 .]" 1
267 1 52 ILE MG 1 53 VAL H 4.000 . 4.300 3.303 1.736 3.819 0.064 6 0 "[ . 1 . 2 .]" 1
268 1 53 VAL H 1 53 VAL HA 3.000 . 3.400 2.898 2.321 3.005 . 0 0 "[ . 1 . 2 .]" 1
269 1 53 VAL H 1 53 VAL HB 4.000 . 4.300 2.851 1.942 3.927 . 0 0 "[ . 1 . 2 .]" 1
270 1 53 VAL H 1 53 VAL QG 3.000 . 3.400 2.116 1.690 2.747 0.110 24 0 "[ . 1 . 2 .]" 1
271 1 53 VAL H 1 54 GLY H 4.000 . 4.300 2.601 1.988 3.417 . 0 0 "[ . 1 . 2 .]" 1
272 1 53 VAL HA 1 54 GLY H 4.000 . 4.300 3.560 3.515 3.597 . 0 0 "[ . 1 . 2 .]" 1
273 1 53 VAL HA 1 55 ASP H 4.000 . 4.300 4.097 3.652 4.418 0.118 10 0 "[ . 1 . 2 .]" 1
274 1 53 VAL HB 1 54 GLY H 4.000 . 4.300 3.487 1.918 4.078 . 0 0 "[ . 1 . 2 .]" 1
275 1 53 VAL QG 1 54 GLY H 3.000 . 3.400 2.061 1.775 2.788 0.025 12 0 "[ . 1 . 2 .]" 1
276 1 55 ASP H 1 55 ASP HA 3.000 . 3.400 2.819 2.348 3.005 . 0 0 "[ . 1 . 2 .]" 1
277 1 55 ASP HA 1 57 GLU H 4.000 . 4.300 4.127 3.642 4.460 0.160 19 0 "[ . 1 . 2 .]" 1
278 1 55 ASP HA 1 58 THR H 4.000 . 4.300 4.068 3.362 4.397 0.097 8 0 "[ . 1 . 2 .]" 1
279 1 56 GLY H 1 57 GLU H 4.000 . 4.300 2.364 1.808 3.166 . 0 0 "[ . 1 . 2 .]" 1
280 1 56 GLY H 1 57 GLU HA 4.000 . 4.300 4.424 4.307 4.539 0.239 2 0 "[ . 1 . 2 .]" 1
281 1 56 GLY H 1 58 THR H 3.000 . 3.400 2.904 2.209 3.544 0.144 18 0 "[ . 1 . 2 .]" 1
282 1 56 GLY QA 1 57 GLU H 4.000 . 4.300 2.627 2.452 2.809 . 0 0 "[ . 1 . 2 .]" 1
283 1 58 THR H 1 58 THR HA 2.500 . 2.800 2.741 2.351 2.978 0.178 24 0 "[ . 1 . 2 .]" 1
284 1 58 THR H 1 58 THR HB 4.000 . 4.300 3.120 2.237 3.896 . 0 0 "[ . 1 . 2 .]" 1
285 1 58 THR H 1 58 THR HG1 4.000 . 4.300 2.568 1.923 3.054 . 0 0 "[ . 1 . 2 .]" 1
286 1 59 LYS H 1 59 LYS HA 3.000 . 3.400 2.850 2.333 3.012 . 0 0 "[ . 1 . 2 .]" 1
287 1 59 LYS H 1 59 LYS QG 4.000 . 4.300 3.349 1.939 4.082 . 0 0 "[ . 1 . 2 .]" 1
288 1 59 LYS HA 1 60 GLU H 2.500 . 2.800 2.460 2.174 2.977 0.177 11 0 "[ . 1 . 2 .]" 1
289 1 59 LYS QB 1 60 GLU H 4.000 . 4.300 3.103 1.972 4.022 . 0 0 "[ . 1 . 2 .]" 1
290 1 59 LYS QG 1 60 GLU H 4.000 . 4.300 3.152 1.992 3.967 . 0 0 "[ . 1 . 2 .]" 1
291 1 60 GLU H 1 60 GLU QB 3.000 . 3.400 2.497 1.959 3.062 . 0 0 "[ . 1 . 2 .]" 1
292 1 60 GLU H 1 60 GLU QG 4.000 . 4.300 3.616 2.886 3.945 . 0 0 "[ . 1 . 2 .]" 1
293 1 61 PRO HA 1 62 PHE H 4.000 . 4.500 3.096 2.246 3.609 . 0 0 "[ . 1 . 2 .]" 1
294 1 61 PRO QB 1 62 PHE H 4.000 . 4.500 3.317 2.310 4.028 . 0 0 "[ . 1 . 2 .]" 1
295 1 61 PRO QG 1 62 PHE H 4.000 . 5.000 3.350 2.227 4.538 . 0 0 "[ . 1 . 2 .]" 1
296 1 62 PHE H 1 62 PHE HA 2.500 . 2.800 2.750 2.342 2.983 0.183 5 0 "[ . 1 . 2 .]" 1
297 1 62 PHE H 1 62 PHE QB 3.000 . 3.400 2.383 1.945 3.013 . 0 0 "[ . 1 . 2 .]" 1
298 1 62 PHE HA 1 63 LEU H 3.000 . 3.400 3.271 2.279 3.573 0.173 7 0 "[ . 1 . 2 .]" 1
299 1 62 PHE HA 1 65 VAL H 4.000 . 5.000 4.060 3.318 5.025 0.025 19 0 "[ . 1 . 2 .]" 1
300 1 62 PHE HA 1 66 GLN H 4.000 . 5.000 4.274 3.834 5.074 0.074 19 0 "[ . 1 . 2 .]" 1
301 1 62 PHE QB 1 63 LEU H 3.000 . 3.400 2.454 1.754 3.046 0.046 21 0 "[ . 1 . 2 .]" 1
302 1 63 LEU H 1 63 LEU HA 3.000 . 3.400 2.846 2.755 2.890 . 0 0 "[ . 1 . 2 .]" 1
303 1 63 LEU H 1 63 LEU QB 3.000 . 3.400 2.212 1.981 2.483 . 0 0 "[ . 1 . 2 .]" 1
304 1 63 LEU H 1 63 LEU QD 4.000 . 5.000 2.879 2.312 3.502 . 0 0 "[ . 1 . 2 .]" 1
305 1 63 LEU H 1 63 LEU HG 3.000 . 3.400 2.627 2.119 3.259 . 0 0 "[ . 1 . 2 .]" 1
306 1 63 LEU H 1 64 LEU H 3.000 . 3.400 2.739 2.593 3.002 . 0 0 "[ . 1 . 2 .]" 1
307 1 63 LEU HA 1 64 LEU H 3.000 . 3.400 3.530 3.500 3.564 0.164 6 0 "[ . 1 . 2 .]" 1
308 1 63 LEU HA 1 66 GLN H 3.000 . 3.400 3.389 3.138 3.531 0.131 8 0 "[ . 1 . 2 .]" 1
309 1 64 LEU H 1 64 LEU HA 3.000 . 3.400 2.854 2.826 2.886 . 0 0 "[ . 1 . 2 .]" 1
310 1 64 LEU H 1 64 LEU QB 3.000 . 3.400 2.017 1.927 2.224 . 0 0 "[ . 1 . 2 .]" 1
311 1 64 LEU H 1 64 LEU QD 4.000 . 5.000 3.269 2.663 3.687 . 0 0 "[ . 1 . 2 .]" 1
312 1 64 LEU H 1 64 LEU HG 4.000 . 5.000 4.009 3.222 4.389 . 0 0 "[ . 1 . 2 .]" 1
313 1 64 LEU H 1 65 VAL H 3.000 . 3.400 2.873 2.729 3.018 . 0 0 "[ . 1 . 2 .]" 1
314 1 64 LEU HA 1 65 VAL H 4.000 . 4.300 3.602 3.571 3.615 . 0 0 "[ . 1 . 2 .]" 1
315 1 64 LEU HA 1 67 TYR H 4.000 . 4.500 3.869 3.547 4.191 . 0 0 "[ . 1 . 2 .]" 1
316 1 64 LEU QB 1 65 VAL H 4.000 . 4.300 2.337 2.149 2.693 . 0 0 "[ . 1 . 2 .]" 1
317 1 65 VAL H 1 65 VAL HA 3.000 . 3.400 2.896 2.866 2.943 . 0 0 "[ . 1 . 2 .]" 1
318 1 65 VAL H 1 65 VAL HB 3.000 . 3.400 3.072 2.567 3.564 0.164 10 0 "[ . 1 . 2 .]" 1
319 1 65 VAL H 1 65 VAL QG 4.000 . 4.500 1.868 1.729 2.128 0.071 19 0 "[ . 1 . 2 .]" 1
320 1 65 VAL H 1 66 GLN H 3.000 . 3.400 2.547 2.404 2.655 . 0 0 "[ . 1 . 2 .]" 1
321 1 65 VAL H 1 67 TYR H 4.000 . 4.700 4.349 4.013 4.596 . 0 0 "[ . 1 . 2 .]" 1
322 1 65 VAL HA 1 66 GLN H 3.000 . 3.400 3.530 3.507 3.554 0.154 19 0 "[ . 1 . 2 .]" 1
323 1 65 VAL HA 1 69 ALA H 4.000 . 5.000 3.719 3.198 3.960 . 0 0 "[ . 1 . 2 .]" 1
324 1 65 VAL HB 1 66 GLN H 4.000 . 4.300 3.225 2.365 4.046 . 0 0 "[ . 1 . 2 .]" 1
325 1 65 VAL HB 1 69 ALA H 4.000 . 5.000 5.067 4.632 5.278 0.278 16 0 "[ . 1 . 2 .]" 1
326 1 65 VAL QG 1 66 GLN H 4.000 . 4.300 2.608 1.820 3.329 . 0 0 "[ . 1 . 2 .]" 1
327 1 66 GLN H 1 66 GLN HA 3.000 . 3.400 2.855 2.822 2.882 . 0 0 "[ . 1 . 2 .]" 1
328 1 66 GLN H 1 66 GLN QB 3.000 . 3.400 2.070 1.921 2.197 . 0 0 "[ . 1 . 2 .]" 1
329 1 66 GLN HA 1 67 TYR H 3.000 . 3.400 3.557 3.524 3.575 0.175 23 0 "[ . 1 . 2 .]" 1
330 1 66 GLN HA 1 70 LYS H 4.000 . 4.700 3.801 3.643 4.285 . 0 0 "[ . 1 . 2 .]" 1
331 1 66 GLN QB 1 67 TYR H 4.000 . 4.300 2.341 2.073 2.570 . 0 0 "[ . 1 . 2 .]" 1
332 1 67 TYR H 1 67 TYR HA 3.000 . 3.400 2.893 2.871 2.926 . 0 0 "[ . 1 . 2 .]" 1
333 1 67 TYR HA 1 68 SER H 3.000 . 3.400 3.541 3.525 3.574 0.174 9 0 "[ . 1 . 2 .]" 1
334 1 67 TYR QB 1 68 SER H 4.000 . 4.300 2.518 2.108 2.834 . 0 0 "[ . 1 . 2 .]" 1
335 1 68 SER H 1 68 SER HA 3.000 . 3.400 2.848 2.813 2.870 . 0 0 "[ . 1 . 2 .]" 1
336 1 68 SER H 1 68 SER QB 3.000 . 3.400 2.265 1.967 2.452 . 0 0 "[ . 1 . 2 .]" 1
337 1 68 SER QB 1 69 ALA H 4.000 . 4.300 2.638 2.368 3.352 . 0 0 "[ . 1 . 2 .]" 1
338 1 69 ALA H 1 69 ALA HA 3.000 . 3.400 2.947 2.903 2.971 . 0 0 "[ . 1 . 2 .]" 1
339 1 69 ALA H 1 69 ALA MB 2.500 . 2.800 2.126 1.983 2.221 . 0 0 "[ . 1 . 2 .]" 1
340 1 69 ALA HA 1 70 LYS H 3.000 . 3.400 3.559 3.543 3.586 0.186 1 0 "[ . 1 . 2 .]" 1
341 1 70 LYS H 1 70 LYS HA 3.000 . 3.400 2.863 2.792 2.895 . 0 0 "[ . 1 . 2 .]" 1
342 1 70 LYS H 1 70 LYS QB 3.000 . 3.400 2.266 2.033 2.488 . 0 0 "[ . 1 . 2 .]" 1
343 1 70 LYS H 1 70 LYS QE 4.000 . 4.300 3.603 3.122 3.961 . 0 0 "[ . 1 . 2 .]" 1
344 1 70 LYS H 1 70 LYS QG 3.000 . 3.400 2.395 1.926 3.328 . 0 0 "[ . 1 . 2 .]" 1
345 1 70 LYS H 1 71 GLY H 3.000 . 3.400 2.739 2.599 3.067 . 0 0 "[ . 1 . 2 .]" 1
346 1 70 LYS HA 1 71 GLY H 3.000 . 3.400 3.541 3.500 3.556 0.156 24 0 "[ . 1 . 2 .]" 1
347 1 70 LYS QB 1 71 GLY H 4.000 . 4.300 2.741 2.184 3.606 . 0 0 "[ . 1 . 2 .]" 1
348 1 70 LYS QG 1 71 GLY H 4.000 . 4.300 3.325 2.067 4.134 . 0 0 "[ . 1 . 2 .]" 1
349 1 71 GLY H 1 71 GLY QA 2.500 . 2.800 2.248 2.241 2.256 . 0 0 "[ . 1 . 2 .]" 1
350 1 71 GLY H 1 73 CYS H 4.000 . 4.300 4.110 3.858 4.329 0.029 16 0 "[ . 1 . 2 .]" 1
351 1 71 GLY QA 1 73 CYS H 4.000 . 5.000 4.135 3.985 4.280 . 0 0 "[ . 1 . 2 .]" 1
352 1 71 GLY QA 1 74 VAL H 4.000 . 4.300 3.791 3.751 3.854 . 0 0 "[ . 1 . 2 .]" 1
353 1 71 GLY QA 1 75 GLU H 4.000 . 4.300 3.788 3.690 3.872 . 0 0 "[ . 1 . 2 .]" 1
354 1 73 CYS H 1 73 CYS HA 3.000 . 3.400 2.859 2.827 2.889 . 0 0 "[ . 1 . 2 .]" 1
355 1 73 CYS H 1 73 CYS QB 3.000 . 3.400 2.104 1.985 2.187 . 0 0 "[ . 1 . 2 .]" 1
356 1 73 CYS H 1 74 VAL H 3.000 . 3.400 2.738 2.652 2.847 . 0 0 "[ . 1 . 2 .]" 1
357 1 73 CYS HA 1 74 VAL H 3.000 . 3.400 3.553 3.538 3.562 0.162 22 0 "[ . 1 . 2 .]" 1
358 1 73 CYS HA 1 76 ARG H 4.000 . 4.300 3.713 3.371 3.840 . 0 0 "[ . 1 . 2 .]" 1
359 1 73 CYS HA 1 77 LYS H 4.000 . 4.500 4.016 3.842 4.141 . 0 0 "[ . 1 . 2 .]" 1
360 1 73 CYS QB 1 74 VAL H 3.000 . 3.400 2.442 2.308 2.603 . 0 0 "[ . 1 . 2 .]" 1
361 1 74 VAL H 1 74 VAL HA 3.000 . 3.400 2.903 2.849 2.919 . 0 0 "[ . 1 . 2 .]" 1
362 1 74 VAL H 1 74 VAL HB 3.000 . 3.400 2.254 2.197 2.327 . 0 0 "[ . 1 . 2 .]" 1
363 1 74 VAL H 1 74 VAL QG 4.000 . 4.300 2.398 2.168 2.509 . 0 0 "[ . 1 . 2 .]" 1
364 1 74 VAL H 1 75 GLU H 3.000 . 3.400 2.599 2.509 2.764 . 0 0 "[ . 1 . 2 .]" 1
365 1 74 VAL H 1 76 ARG H 4.000 . 4.300 4.015 3.876 4.129 . 0 0 "[ . 1 . 2 .]" 1
366 1 74 VAL HA 1 75 GLU H 3.000 . 3.400 3.554 3.542 3.568 0.168 17 0 "[ . 1 . 2 .]" 1
367 1 74 VAL HA 1 76 ARG H 4.000 . 4.300 4.345 4.180 4.408 0.108 5 0 "[ . 1 . 2 .]" 1
368 1 74 VAL HA 1 77 LYS H 4.000 . 4.500 3.421 3.186 3.764 . 0 0 "[ . 1 . 2 .]" 1
369 1 74 VAL HB 1 75 GLU H 3.000 . 3.400 2.478 2.343 2.567 . 0 0 "[ . 1 . 2 .]" 1
370 1 74 VAL QG 1 75 GLU H 4.000 . 5.000 3.003 2.846 3.161 . 0 0 "[ . 1 . 2 .]" 1
371 1 75 GLU H 1 75 GLU HA 3.000 . 3.400 2.842 2.819 2.861 . 0 0 "[ . 1 . 2 .]" 1
372 1 75 GLU H 1 75 GLU QB 3.000 . 3.400 2.104 1.937 2.184 . 0 0 "[ . 1 . 2 .]" 1
373 1 75 GLU H 1 76 ARG H 3.000 . 3.400 2.752 2.691 2.807 . 0 0 "[ . 1 . 2 .]" 1
374 1 75 GLU HA 1 76 ARG H 3.000 . 3.400 3.538 3.511 3.550 0.150 5 0 "[ . 1 . 2 .]" 1
375 1 75 GLU QB 1 76 ARG H 3.000 . 3.400 2.485 2.331 2.939 . 0 0 "[ . 1 . 2 .]" 1
376 1 76 ARG H 1 76 ARG HA 2.500 . 2.800 2.878 2.859 2.902 0.102 4 0 "[ . 1 . 2 .]" 1
377 1 76 ARG H 1 76 ARG QB 3.000 . 3.400 2.028 1.941 2.180 . 0 0 "[ . 1 . 2 .]" 1
378 1 76 ARG H 1 76 ARG QG 4.000 . 5.000 3.564 2.577 3.924 . 0 0 "[ . 1 . 2 .]" 1
379 1 76 ARG H 1 77 LYS H 3.000 . 3.400 2.734 2.568 2.934 . 0 0 "[ . 1 . 2 .]" 1
380 1 76 ARG HA 1 80 LEU H 4.000 . 4.300 3.823 3.441 4.129 . 0 0 "[ . 1 . 2 .]" 1
381 1 76 ARG QD 1 77 LYS H 4.000 . 5.000 4.237 3.346 4.525 . 0 0 "[ . 1 . 2 .]" 1
382 1 77 LYS H 1 77 LYS HA 3.000 . 3.400 2.865 2.834 2.895 . 0 0 "[ . 1 . 2 .]" 1
383 1 77 LYS H 1 77 LYS QB 3.000 . 3.400 2.118 1.974 2.541 . 0 0 "[ . 1 . 2 .]" 1
384 1 77 LYS H 1 77 LYS QG 3.000 . 3.400 2.780 2.133 3.098 . 0 0 "[ . 1 . 2 .]" 1
385 1 77 LYS H 1 79 LYS H 4.000 . 4.300 4.300 4.181 4.451 0.151 12 0 "[ . 1 . 2 .]" 1
386 1 77 LYS HA 1 78 ALA H 3.000 . 3.400 3.527 3.457 3.561 0.161 23 0 "[ . 1 . 2 .]" 1
387 1 77 LYS QB 1 78 ALA H 4.000 . 4.300 2.954 2.244 3.582 . 0 0 "[ . 1 . 2 .]" 1
388 1 78 ALA H 1 78 ALA HA 3.000 . 3.400 2.879 2.810 2.948 . 0 0 "[ . 1 . 2 .]" 1
389 1 78 ALA H 1 78 ALA MB 3.000 . 3.400 2.090 1.928 2.202 . 0 0 "[ . 1 . 2 .]" 1
390 1 78 ALA H 1 79 LYS H 3.000 . 3.400 2.669 2.320 2.924 . 0 0 "[ . 1 . 2 .]" 1
391 1 78 ALA HA 1 79 LYS H 3.000 . 3.400 3.555 3.537 3.573 0.173 13 0 "[ . 1 . 2 .]" 1
392 1 79 LYS H 1 79 LYS HA 3.000 . 3.400 2.894 2.854 2.921 . 0 0 "[ . 1 . 2 .]" 1
393 1 79 LYS H 1 79 LYS QB 3.000 . 3.400 2.188 2.015 2.367 . 0 0 "[ . 1 . 2 .]" 1
394 1 79 LYS H 1 79 LYS QD 4.000 . 5.000 3.923 3.027 4.468 . 0 0 "[ . 1 . 2 .]" 1
395 1 79 LYS H 1 79 LYS QG 3.000 . 3.400 2.522 2.168 2.959 . 0 0 "[ . 1 . 2 .]" 1
396 1 80 LEU H 1 80 LEU HA 2.500 . 2.800 2.873 2.814 2.928 0.128 21 0 "[ . 1 . 2 .]" 1
397 1 80 LEU H 1 80 LEU QB 2.500 . 2.800 2.165 1.959 2.255 . 0 0 "[ . 1 . 2 .]" 1
398 1 80 LEU H 1 80 LEU QD 4.000 . 5.000 3.600 3.084 3.684 . 0 0 "[ . 1 . 2 .]" 1
399 1 80 LEU H 1 80 LEU HG 4.000 . 5.000 4.267 2.306 4.381 . 0 0 "[ . 1 . 2 .]" 1
400 1 80 LEU HA 1 81 MET H 3.000 . 3.400 3.544 3.509 3.577 0.177 22 0 "[ . 1 . 2 .]" 1
401 1 80 LEU QB 1 81 MET H 4.000 . 4.300 2.472 2.053 2.811 . 0 0 "[ . 1 . 2 .]" 1
402 1 80 LEU HG 1 81 MET H 4.000 . 4.300 3.974 3.478 4.389 0.089 1 0 "[ . 1 . 2 .]" 1
403 1 81 MET H 1 81 MET HA 3.000 . 3.400 2.945 2.896 3.006 . 0 0 "[ . 1 . 2 .]" 1
404 1 81 MET H 1 81 MET QB 3.000 . 3.400 2.195 1.933 2.735 . 0 0 "[ . 1 . 2 .]" 1
405 1 81 MET H 1 81 MET QG 4.000 . 5.000 3.880 3.440 4.199 . 0 0 "[ . 1 . 2 .]" 1
406 1 81 MET QB 1 82 THR H 4.000 . 4.300 2.659 2.072 3.966 . 0 0 "[ . 1 . 2 .]" 1
407 1 81 MET QG 1 82 THR H 4.000 . 5.000 4.051 3.398 4.568 . 0 0 "[ . 1 . 2 .]" 1
408 1 82 THR H 1 82 THR HA 3.000 . 3.400 2.730 2.341 3.014 . 0 0 "[ . 1 . 2 .]" 1
409 1 82 THR H 1 82 THR HB 4.000 . 4.300 3.440 2.332 4.052 . 0 0 "[ . 1 . 2 .]" 1
410 1 82 THR H 1 82 THR HG1 4.000 . 4.300 2.291 1.830 2.891 . 0 0 "[ . 1 . 2 .]" 1
411 1 82 THR HB 1 84 ASN H 4.000 . 4.300 3.687 2.342 4.496 0.196 9 0 "[ . 1 . 2 .]" 1
412 1 83 PRO HA 1 84 ASN H 3.000 . 3.400 3.335 3.157 3.534 0.134 1 0 "[ . 1 . 2 .]" 1
413 1 83 PRO HA 1 85 GLY H 4.000 . 4.300 3.995 3.275 4.428 0.128 16 0 "[ . 1 . 2 .]" 1
414 1 83 PRO QB 1 84 ASN H 4.000 . 4.300 3.684 3.208 3.897 . 0 0 "[ . 1 . 2 .]" 1
415 1 83 PRO QB 1 85 GLY H 4.000 . 4.300 3.271 2.540 4.017 . 0 0 "[ . 1 . 2 .]" 1
416 1 83 PRO QD 1 84 ASN H 4.000 . 4.300 2.921 2.396 3.335 . 0 0 "[ . 1 . 2 .]" 1
417 1 83 PRO QG 1 84 ASN H 4.000 . 4.300 3.297 2.435 3.776 . 0 0 "[ . 1 . 2 .]" 1
418 1 84 ASN H 1 84 ASN QB 3.000 . 3.400 2.658 1.904 3.009 . 0 0 "[ . 1 . 2 .]" 1
419 1 84 ASN H 1 85 GLY H 3.000 . 3.400 3.184 2.596 3.559 0.159 12 0 "[ . 1 . 2 .]" 1
420 1 84 ASN HA 1 85 GLY H 4.000 . 4.300 3.132 2.706 3.590 . 0 0 "[ . 1 . 2 .]" 1
421 1 86 PRO HA 1 87 GLU H 3.000 . 3.400 3.294 2.631 3.548 0.148 14 0 "[ . 1 . 2 .]" 1
422 1 86 PRO HA 1 89 HIS H 2.500 . 2.800 2.878 2.760 2.958 0.158 15 0 "[ . 1 . 2 .]" 1
423 1 86 PRO QB 1 87 GLU H 4.000 . 4.300 3.005 1.722 3.606 0.078 3 0 "[ . 1 . 2 .]" 1
424 1 86 PRO QG 1 87 GLU H 4.000 . 4.300 2.961 1.973 3.892 . 0 0 "[ . 1 . 2 .]" 1
425 1 87 GLU H 1 87 GLU HA 3.000 . 3.400 2.689 2.335 2.897 . 0 0 "[ . 1 . 2 .]" 1
426 1 87 GLU H 1 87 GLU QB 3.000 . 3.400 2.568 2.094 3.144 . 0 0 "[ . 1 . 2 .]" 1
427 1 87 GLU H 1 88 VAL H 3.000 . 3.400 2.984 2.466 3.609 0.209 3 0 "[ . 1 . 2 .]" 1
428 1 87 GLU HA 1 88 VAL H 3.000 . 3.400 3.528 3.485 3.558 0.158 2 0 "[ . 1 . 2 .]" 1
429 1 87 GLU QB 1 88 VAL H 3.000 . 3.400 2.507 2.039 3.152 . 0 0 "[ . 1 . 2 .]" 1
430 1 88 VAL H 1 88 VAL HA 3.000 . 3.400 2.984 2.955 3.006 . 0 0 "[ . 1 . 2 .]" 1
431 1 88 VAL H 1 88 VAL HB 3.000 . 3.400 2.731 2.319 3.606 0.206 21 0 "[ . 1 . 2 .]" 1
432 1 88 VAL H 1 88 VAL QG 3.000 . 3.400 2.134 1.844 2.508 . 0 0 "[ . 1 . 2 .]" 1
433 1 88 VAL H 1 89 HIS H 4.000 . 4.300 2.169 1.877 2.348 . 0 0 "[ . 1 . 2 .]" 1
434 1 88 VAL HA 1 89 HIS H 4.000 . 4.300 3.495 3.326 3.570 . 0 0 "[ . 1 . 2 .]" 1
435 1 88 VAL HB 1 89 HIS H 4.000 . 4.300 3.716 2.646 4.232 . 0 0 "[ . 1 . 2 .]" 1
436 1 88 VAL QG 1 89 HIS H 4.000 . 4.300 2.649 2.062 3.378 . 0 0 "[ . 1 . 2 .]" 1
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