NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569810 |
2m1i   |
18864 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1i
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 1589
_Distance_constraint_stats_list.Viol_count 1990
_Distance_constraint_stats_list.Viol_total 3636.148
_Distance_constraint_stats_list.Viol_max 0.877
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0914
_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 GLY 0.087 0.046 17 0 "[ . 1 . 2]"
1 2 PRO 0.087 0.046 17 0 "[ . 1 . 2]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 2.374 0.227 14 0 "[ . 1 . 2]"
1 8 ASP 1.680 0.337 16 0 "[ . 1 . 2]"
1 9 LYS 8.629 0.337 16 0 "[ . 1 . 2]"
1 10 ILE 17.372 0.438 19 0 "[ . 1 . 2]"
1 11 LYS 10.014 0.293 5 0 "[ . 1 . 2]"
1 12 CYS 5.567 0.284 7 0 "[ . 1 . 2]"
1 13 SER 3.594 0.263 3 0 "[ . 1 . 2]"
1 14 HIS 0.406 0.076 12 0 "[ . 1 . 2]"
1 15 ILE 6.800 0.310 9 0 "[ . 1 . 2]"
1 16 LEU 2.725 0.240 19 0 "[ . 1 . 2]"
1 17 VAL 2.622 0.151 4 0 "[ . 1 . 2]"
1 18 LYS 3.392 0.219 14 0 "[ . 1 . 2]"
1 19 LYS 5.516 0.877 19 3 "[ .* 1 . +-]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 2.957 0.174 12 0 "[ . 1 . 2]"
1 22 GLU 8.122 0.877 19 3 "[ .* 1 . +-]"
1 23 ALA 0.522 0.097 17 0 "[ . 1 . 2]"
1 24 LEU 2.850 0.418 18 0 "[ . 1 . 2]"
1 25 ALA 0.945 0.197 18 0 "[ . 1 . 2]"
1 26 VAL 4.515 0.399 13 0 "[ . 1 . 2]"
1 27 GLN 7.848 0.418 18 0 "[ . 1 . 2]"
1 28 GLU 2.078 0.197 18 0 "[ . 1 . 2]"
1 29 ARG 0.057 0.044 15 0 "[ . 1 . 2]"
1 30 LEU 7.532 0.447 14 0 "[ . 1 . 2]"
1 31 LYS 6.742 0.447 14 0 "[ . 1 . 2]"
1 32 ALA 2.049 0.265 5 0 "[ . 1 . 2]"
1 33 GLY 0.093 0.078 8 0 "[ . 1 . 2]"
1 34 GLU 2.761 0.265 5 0 "[ . 1 . 2]"
1 35 LYS 2.169 0.277 18 0 "[ . 1 . 2]"
1 36 PHE 2.017 0.277 18 0 "[ . 1 . 2]"
1 37 GLY 0.438 0.101 9 0 "[ . 1 . 2]"
1 38 LYS 0.791 0.180 10 0 "[ . 1 . 2]"
1 39 LEU 8.143 0.269 12 0 "[ . 1 . 2]"
1 40 ALA 8.116 0.452 2 0 "[ . 1 . 2]"
1 41 LYS 0.800 0.244 12 0 "[ . 1 . 2]"
1 42 GLU 6.879 0.269 12 0 "[ . 1 . 2]"
1 43 LEU 9.896 0.488 6 0 "[ . 1 . 2]"
1 44 SER 9.669 0.488 6 0 "[ . 1 . 2]"
1 45 ILE 3.640 0.240 19 0 "[ . 1 . 2]"
1 46 ASP 0.540 0.212 17 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 2.136 0.313 8 0 "[ . 1 . 2]"
1 51 LYS 5.242 0.366 20 0 "[ . 1 . 2]"
1 52 ARG 2.619 0.220 14 0 "[ . 1 . 2]"
1 53 ASP 5.403 0.452 2 0 "[ . 1 . 2]"
1 54 GLY 0.630 0.102 20 0 "[ . 1 . 2]"
1 55 SER 1.318 0.146 17 0 "[ . 1 . 2]"
1 56 LEU 7.027 0.263 3 0 "[ . 1 . 2]"
1 57 GLY 0.211 0.079 1 0 "[ . 1 . 2]"
1 58 TYR 7.407 0.366 15 0 "[ . 1 . 2]"
1 59 PHE 1.911 0.352 13 0 "[ . 1 . 2]"
1 60 GLY 4.605 0.243 13 0 "[ . 1 . 2]"
1 61 ARG 3.610 0.254 1 0 "[ . 1 . 2]"
1 62 GLY 3.483 0.254 1 0 "[ . 1 . 2]"
1 63 LYS 0.577 0.168 1 0 "[ . 1 . 2]"
1 64 MET 6.253 0.438 19 0 "[ . 1 . 2]"
1 65 VAL 5.423 0.248 12 0 "[ . 1 . 2]"
1 66 LYS 1.249 0.160 19 0 "[ . 1 . 2]"
1 67 PRO 3.656 0.186 10 0 "[ . 1 . 2]"
1 68 PHE 2.172 0.144 10 0 "[ . 1 . 2]"
1 69 GLU 1.240 0.128 20 0 "[ . 1 . 2]"
1 70 ASP 0.069 0.069 1 0 "[ . 1 . 2]"
1 71 ALA 1.671 0.217 17 0 "[ . 1 . 2]"
1 72 ALA 3.387 0.134 1 0 "[ . 1 . 2]"
1 73 PHE 3.584 0.241 10 0 "[ . 1 . 2]"
1 74 ARG 1.379 0.217 17 0 "[ . 1 . 2]"
1 75 LEU 10.792 0.299 16 0 "[ . 1 . 2]"
1 76 GLN 1.828 0.260 15 0 "[ . 1 . 2]"
1 77 VAL 1.785 0.279 1 0 "[ . 1 . 2]"
1 78 GLY 7.649 0.381 2 0 "[ . 1 . 2]"
1 79 GLU 11.891 0.381 2 0 "[ . 1 . 2]"
1 80 VAL 7.241 0.259 11 0 "[ . 1 . 2]"
1 81 SER 3.365 0.166 3 0 "[ . 1 . 2]"
1 82 GLU 4.197 0.284 20 0 "[ . 1 . 2]"
1 83 PRO 4.069 0.284 20 0 "[ . 1 . 2]"
1 84 VAL 2.208 0.191 19 0 "[ . 1 . 2]"
1 85 LYS 0.793 0.151 11 0 "[ . 1 . 2]"
1 86 SER 8.693 0.314 13 0 "[ . 1 . 2]"
1 87 GLU 1.471 0.248 12 0 "[ . 1 . 2]"
1 88 PHE 3.645 0.279 8 0 "[ . 1 . 2]"
1 89 GLY 1.094 0.140 15 0 "[ . 1 . 2]"
1 90 TYR 3.749 0.236 14 0 "[ . 1 . 2]"
1 91 HIS 4.147 0.314 13 0 "[ . 1 . 2]"
1 92 VAL 0.501 0.110 11 0 "[ . 1 . 2]"
1 93 ILE 2.460 0.161 12 0 "[ . 1 . 2]"
1 94 LYS 4.669 0.212 10 0 "[ . 1 . 2]"
1 95 ARG 3.093 0.212 10 0 "[ . 1 . 2]"
1 96 LEU 5.428 0.294 8 0 "[ . 1 . 2]"
1 97 GLY 6.438 0.294 8 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 59 PHE HE2 1 72 ALA MB 3.500 . 4.200 3.782 3.084 4.249 0.049 9 0 "[ . 1 . 2]" 1
2 1 59 PHE HZ 1 72 ALA MB 3.500 . 4.200 2.102 1.890 2.542 0.110 7 0 "[ . 1 . 2]" 1
3 1 10 ILE MG 1 59 PHE HE2 3.500 . 4.200 3.403 2.659 4.250 0.050 6 0 "[ . 1 . 2]" 1
4 1 10 ILE MG 1 59 PHE HZ 3.500 . 4.200 2.673 2.193 3.249 . 0 0 "[ . 1 . 2]" 1
5 1 10 ILE HG12 1 59 PHE HE1 5.500 . 6.000 4.368 3.238 5.656 . 0 0 "[ . 1 . 2]" 1
6 1 10 ILE HG12 1 59 PHE HD1 5.500 . 6.000 5.123 3.737 6.352 0.352 13 0 "[ . 1 . 2]" 1
7 1 10 ILE MD 1 59 PHE HE1 4.500 . 5.200 3.745 2.011 4.964 . 0 0 "[ . 1 . 2]" 1
8 1 10 ILE MD 1 73 PHE HD2 4.500 . 5.200 3.764 2.959 5.434 0.234 7 0 "[ . 1 . 2]" 1
9 1 10 ILE MD 1 59 PHE HD1 5.500 . 6.000 4.901 3.543 5.928 . 0 0 "[ . 1 . 2]" 1
10 1 10 ILE MD 1 73 PHE HE2 4.500 . 5.200 3.464 2.375 5.441 0.241 7 0 "[ . 1 . 2]" 1
11 1 10 ILE MD 1 73 PHE HZ 5.500 . 6.000 3.132 2.636 4.287 . 0 0 "[ . 1 . 2]" 1
12 1 6 MET HA 1 8 ASP H 4.500 . 5.200 3.837 3.316 4.491 . 0 0 "[ . 1 . 2]" 1
13 1 14 HIS HE1 1 16 LEU H 4.500 . 5.200 4.635 4.137 4.979 . 0 0 "[ . 1 . 2]" 1
14 1 14 HIS HE1 1 16 LEU HA 4.500 . 5.200 4.404 3.599 4.949 . 0 0 "[ . 1 . 2]" 1
15 1 19 LYS H 1 22 GLU H 4.500 . 5.200 3.869 3.564 4.149 . 0 0 "[ . 1 . 2]" 1
16 1 19 LYS H 1 22 GLU HB2 4.500 . 5.200 2.556 2.301 2.948 . 0 0 "[ . 1 . 2]" 1
17 1 19 LYS H 1 22 GLU HG2 3.500 . 4.200 4.430 4.146 5.077 0.877 19 3 "[ .* 1 . +-]" 1
18 1 19 LYS H 1 23 ALA H 4.500 . 5.200 4.415 4.183 4.624 . 0 0 "[ . 1 . 2]" 1
19 1 17 VAL HB 1 22 GLU HB2 3.500 . 4.200 2.213 1.871 2.654 0.129 5 0 "[ . 1 . 2]" 1
20 1 17 VAL HB 1 22 GLU HG2 4.500 . 5.200 4.382 4.147 4.697 . 0 0 "[ . 1 . 2]" 1
21 1 30 LEU MD1 1 36 PHE HD1 3.500 . 4.200 2.464 1.990 3.812 0.010 19 0 "[ . 1 . 2]" 1
22 1 30 LEU MD2 1 36 PHE HD1 2.500 . 3.200 2.831 2.135 3.307 0.107 8 0 "[ . 1 . 2]" 1
23 1 30 LEU HG 1 36 PHE HD1 2.500 . 3.200 2.407 1.980 3.038 0.020 10 0 "[ . 1 . 2]" 1
24 1 15 ILE MD 1 36 PHE HD1 3.500 . 4.200 3.425 3.241 3.564 . 0 0 "[ . 1 . 2]" 1
25 1 15 ILE MD 1 36 PHE HD2 3.500 . 4.200 3.856 3.457 4.265 0.065 16 0 "[ . 1 . 2]" 1
26 1 36 PHE HD2 1 40 ALA MB 4.500 . 5.200 3.161 2.856 3.627 . 0 0 "[ . 1 . 2]" 1
27 1 36 PHE HD1 1 92 VAL MG1 4.500 . 5.200 4.483 3.675 5.108 . 0 0 "[ . 1 . 2]" 1
28 1 13 SER QB 1 36 PHE HD2 2.500 . 3.200 2.429 2.136 2.798 . 0 0 "[ . 1 . 2]" 1
29 1 14 HIS HE1 1 56 LEU MD2 4.500 . 5.200 4.864 4.335 5.276 0.076 12 0 "[ . 1 . 2]" 1
30 1 14 HIS HE1 1 56 LEU MD1 5.500 . 6.000 4.726 4.315 5.355 . 0 0 "[ . 1 . 2]" 1
31 1 14 HIS HD2 1 56 LEU MD2 5.500 . 6.000 2.708 2.205 3.265 . 0 0 "[ . 1 . 2]" 1
32 1 14 HIS HD2 1 56 LEU MD1 5.500 . 6.000 2.959 2.383 3.904 . 0 0 "[ . 1 . 2]" 1
33 1 84 VAL MG1 1 91 HIS HE1 5.500 . 6.000 5.701 4.807 6.006 0.006 20 0 "[ . 1 . 2]" 1
34 1 84 VAL MG1 1 91 HIS HD2 3.500 . 4.200 3.195 2.712 3.684 . 0 0 "[ . 1 . 2]" 1
35 1 91 HIS HD2 1 93 ILE MD 5.500 . 6.000 5.517 4.766 6.025 0.025 16 0 "[ . 1 . 2]" 1
36 1 11 LYS HA 1 12 CYS H 2.500 . 3.200 2.218 2.122 2.262 . 0 0 "[ . 1 . 2]" 1
37 1 12 CYS HA 1 13 SER H 2.500 . 3.200 2.350 2.301 2.397 . 0 0 "[ . 1 . 2]" 1
38 1 12 CYS HB3 1 13 SER H 3.500 . 4.200 3.866 3.802 3.941 . 0 0 "[ . 1 . 2]" 1
39 1 15 ILE HA 1 15 ILE MG 2.500 . 3.200 2.408 2.347 2.478 . 0 0 "[ . 1 . 2]" 1
40 1 15 ILE HG13 1 15 ILE MG 2.500 . 3.200 3.163 3.135 3.180 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE MG 1 17 VAL MG1 2.500 . 3.200 2.189 1.961 2.574 0.039 7 0 "[ . 1 . 2]" 1
42 1 15 ILE H 1 92 VAL H 2.500 . 3.200 2.471 2.371 2.602 . 0 0 "[ . 1 . 2]" 1
43 1 16 LEU HA 1 17 VAL H 2.500 . 3.200 2.153 2.112 2.198 . 0 0 "[ . 1 . 2]" 1
44 1 19 LYS H 1 19 LYS HB3 3.500 . 4.200 3.670 2.936 3.877 . 0 0 "[ . 1 . 2]" 1
45 1 1 GLY QA 1 2 PRO QD 2.500 . 3.200 2.106 1.954 2.326 0.046 17 0 "[ . 1 . 2]" 1
46 1 23 ALA MB 1 90 TYR HB3 3.500 . 4.200 2.818 2.452 3.235 . 0 0 "[ . 1 . 2]" 1
47 1 28 GLU HB3 1 28 GLU HG2 2.500 . 3.200 2.735 2.395 3.040 . 0 0 "[ . 1 . 2]" 1
48 1 29 ARG H 1 29 ARG HB3 2.500 . 3.200 2.625 2.492 2.798 . 0 0 "[ . 1 . 2]" 1
49 1 30 LEU MD2 1 39 LEU HG 2.500 . 3.200 2.257 1.920 3.212 0.080 1 0 "[ . 1 . 2]" 1
50 1 31 LYS H 1 31 LYS HB3 3.500 . 4.200 3.599 3.470 3.637 . 0 0 "[ . 1 . 2]" 1
51 1 31 LYS H 1 32 ALA H 2.500 . 3.200 2.581 2.501 2.659 . 0 0 "[ . 1 . 2]" 1
52 1 33 GLY H 1 33 GLY HA3 2.500 . 3.200 2.933 2.894 2.970 . 0 0 "[ . 1 . 2]" 1
53 1 33 GLY H 1 34 GLU H 2.500 . 3.200 2.299 2.092 2.482 . 0 0 "[ . 1 . 2]" 1
54 1 35 LYS QD 1 35 LYS QG 2.500 . 3.200 2.115 2.055 2.130 . 0 0 "[ . 1 . 2]" 1
55 1 37 GLY H 1 37 GLY HA2 2.500 . 3.200 2.804 2.780 2.830 . 0 0 "[ . 1 . 2]" 1
56 1 3 MET QB 1 3 MET QG 2.500 . 3.200 2.092 2.018 2.124 . 0 0 "[ . 1 . 2]" 1
57 1 42 GLU HB3 1 43 LEU H 3.500 . 4.200 3.114 1.873 3.541 0.127 19 0 "[ . 1 . 2]" 1
58 1 43 LEU H 1 43 LEU MD1 2.500 . 3.200 2.680 1.921 3.405 0.205 5 0 "[ . 1 . 2]" 1
59 1 44 SER HA 1 45 ILE H 2.500 . 3.200 2.181 2.058 2.237 . 0 0 "[ . 1 . 2]" 1
60 1 45 ILE MD 1 45 ILE MG 2.500 . 3.200 2.013 1.925 2.118 0.075 1 0 "[ . 1 . 2]" 1
61 1 46 ASP H 1 46 ASP HB3 2.500 . 3.200 2.479 2.389 2.523 . 0 0 "[ . 1 . 2]" 1
62 1 55 SER HA 1 56 LEU H 2.500 . 3.200 2.231 2.045 2.362 . 0 0 "[ . 1 . 2]" 1
63 1 56 LEU HB2 1 56 LEU MD2 3.500 . 4.200 3.215 3.198 3.235 . 0 0 "[ . 1 . 2]" 1
64 1 60 GLY HA2 1 61 ARG H 2.500 . 3.200 2.562 2.327 2.771 . 0 0 "[ . 1 . 2]" 1
65 1 61 ARG H 1 61 ARG QG 2.500 . 3.200 2.376 2.024 3.244 0.044 4 0 "[ . 1 . 2]" 1
66 1 62 GLY H 1 62 GLY QA 2.500 . 3.200 2.252 2.132 2.382 . 0 0 "[ . 1 . 2]" 1
67 1 65 VAL MG2 1 68 PHE H 3.500 . 4.200 1.971 1.888 2.130 0.112 10 0 "[ . 1 . 2]" 1
68 1 67 PRO HB3 1 84 VAL MG1 3.500 . 4.200 3.129 2.216 4.166 . 0 0 "[ . 1 . 2]" 1
69 1 69 GLU HB3 1 70 ASP H 3.500 . 4.200 3.512 3.373 3.627 . 0 0 "[ . 1 . 2]" 1
70 1 69 GLU H 1 69 GLU HB3 3.500 . 4.200 3.593 3.556 3.627 . 0 0 "[ . 1 . 2]" 1
71 1 70 ASP H 1 70 ASP QB 2.500 . 3.200 2.241 2.189 2.301 . 0 0 "[ . 1 . 2]" 1
72 1 70 ASP H 1 71 ALA H 2.500 . 3.200 2.746 2.639 2.840 . 0 0 "[ . 1 . 2]" 1
73 1 71 ALA MB 1 84 VAL MG2 2.500 . 3.200 2.083 1.809 2.481 0.191 19 0 "[ . 1 . 2]" 1
74 1 71 ALA H 1 71 ALA MB 2.500 . 3.200 2.191 2.091 2.266 . 0 0 "[ . 1 . 2]" 1
75 1 71 ALA H 1 72 ALA H 2.500 . 3.200 2.604 2.495 2.767 . 0 0 "[ . 1 . 2]" 1
76 1 79 GLU HB2 1 79 GLU QG 2.500 . 3.200 2.287 2.152 2.485 . 0 0 "[ . 1 . 2]" 1
77 1 80 VAL H 1 80 VAL HB 2.500 . 3.200 2.615 2.448 2.809 . 0 0 "[ . 1 . 2]" 1
78 1 80 VAL H 1 80 VAL MG2 2.500 . 3.200 2.395 1.975 2.906 0.025 8 0 "[ . 1 . 2]" 1
79 1 88 PHE H 1 89 GLY H 2.500 . 3.200 2.620 2.489 2.697 . 0 0 "[ . 1 . 2]" 1
80 1 92 VAL HA 1 93 ILE H 2.500 . 3.200 2.204 2.157 2.260 . 0 0 "[ . 1 . 2]" 1
81 1 93 ILE HA 1 94 LYS H 2.500 . 3.200 2.130 2.073 2.191 . 0 0 "[ . 1 . 2]" 1
82 1 95 ARG H 1 95 ARG QB 2.500 . 3.200 2.290 2.183 2.365 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE HA 1 10 ILE MG 3.500 . 4.200 2.258 2.124 2.372 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE HB 1 10 ILE MD 3.500 . 4.200 2.741 2.176 3.211 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE HB 1 11 LYS H 3.500 . 4.200 4.043 3.726 4.142 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE HB 1 12 CYS H 4.500 . 5.200 4.625 4.224 4.820 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE MD 1 72 ALA MB 3.500 . 4.200 2.691 1.925 3.551 0.075 20 0 "[ . 1 . 2]" 1
88 1 10 ILE MD 1 73 PHE HA 3.500 . 4.200 2.982 2.224 3.915 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MD 1 10 ILE MG 3.500 . 4.200 1.957 1.873 2.118 0.127 12 0 "[ . 1 . 2]" 1
90 1 10 ILE HG12 1 10 ILE MG 3.500 . 4.200 2.736 2.099 3.203 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MG 1 12 CYS HB2 3.500 . 4.200 3.242 2.801 4.303 0.103 12 0 "[ . 1 . 2]" 1
92 1 10 ILE MG 1 72 ALA MB 3.500 . 4.200 2.036 1.867 2.257 0.133 20 0 "[ . 1 . 2]" 1
93 1 10 ILE H 1 59 PHE H 3.500 . 4.200 2.194 1.930 2.579 0.070 6 0 "[ . 1 . 2]" 1
94 1 11 LYS HA 1 11 LYS HG2 3.500 . 4.200 2.556 2.464 2.767 . 0 0 "[ . 1 . 2]" 1
95 1 11 LYS HB2 1 97 GLY H 5.500 . 6.000 5.199 4.906 5.456 . 0 0 "[ . 1 . 2]" 1
96 1 11 LYS QE 1 11 LYS HG2 3.500 . 4.200 2.344 2.156 2.890 . 0 0 "[ . 1 . 2]" 1
97 1 11 LYS H 1 11 LYS HG3 3.500 . 4.200 2.544 2.190 2.881 . 0 0 "[ . 1 . 2]" 1
98 1 12 CYS HA 1 96 LEU H 3.500 . 4.200 1.986 1.849 2.186 0.151 9 0 "[ . 1 . 2]" 1
99 1 12 CYS HB3 1 93 ILE MG 3.500 . 4.200 3.592 3.240 3.833 . 0 0 "[ . 1 . 2]" 1
100 1 12 CYS HB2 1 13 SER H 3.500 . 4.200 2.737 2.599 2.874 . 0 0 "[ . 1 . 2]" 1
101 1 12 CYS H 1 56 LEU HB3 5.500 . 6.000 4.717 4.423 4.966 . 0 0 "[ . 1 . 2]" 1
102 1 13 SER HA 1 55 SER HA 3.500 . 4.200 2.524 1.910 3.164 0.090 2 0 "[ . 1 . 2]" 1
103 1 13 SER QB 1 55 SER HA 3.500 . 4.200 2.512 2.305 2.811 . 0 0 "[ . 1 . 2]" 1
104 1 13 SER H 1 13 SER QB 3.500 . 4.200 2.739 2.670 2.788 . 0 0 "[ . 1 . 2]" 1
105 1 13 SER H 1 95 ARG HA 3.500 . 4.200 3.384 3.143 3.722 . 0 0 "[ . 1 . 2]" 1
106 1 14 HIS HA 1 15 ILE H 3.500 . 4.200 2.184 2.156 2.221 . 0 0 "[ . 1 . 2]" 1
107 1 14 HIS QB 1 15 ILE H 3.500 . 4.200 2.787 2.624 2.949 . 0 0 "[ . 1 . 2]" 1
108 1 15 ILE HA 1 15 ILE HG12 3.500 . 4.200 2.586 2.553 2.686 . 0 0 "[ . 1 . 2]" 1
109 1 15 ILE HB 1 15 ILE MD 3.500 . 4.200 2.324 2.257 2.364 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE MD 1 40 ALA MB 3.500 . 4.200 3.102 2.588 3.579 . 0 0 "[ . 1 . 2]" 1
111 1 15 ILE MD 1 15 ILE MG 3.500 . 4.200 2.013 1.923 2.173 0.077 2 0 "[ . 1 . 2]" 1
112 1 15 ILE MG 1 16 LEU H 3.500 . 4.200 2.563 2.448 2.763 . 0 0 "[ . 1 . 2]" 1
113 1 15 ILE MG 1 39 LEU HB2 3.500 . 4.200 4.277 4.159 4.382 0.182 20 0 "[ . 1 . 2]" 1
114 1 15 ILE MG 1 43 LEU MD2 3.500 . 4.200 3.308 1.912 4.023 0.088 9 0 "[ . 1 . 2]" 1
115 1 15 ILE MG 1 44 SER HB3 3.500 . 4.200 2.891 2.029 3.570 . 0 0 "[ . 1 . 2]" 1
116 1 15 ILE MG 1 44 SER HB2 3.500 . 4.200 3.454 2.000 3.973 . 0 0 "[ . 1 . 2]" 1
117 1 15 ILE MG 1 92 VAL HB 3.500 . 4.200 3.390 3.150 3.696 . 0 0 "[ . 1 . 2]" 1
118 1 15 ILE H 1 15 ILE HB 3.500 . 4.200 2.589 2.503 2.666 . 0 0 "[ . 1 . 2]" 1
119 1 15 ILE H 1 15 ILE MD 3.500 . 4.200 3.897 3.702 4.022 . 0 0 "[ . 1 . 2]" 1
120 1 16 LEU HA 1 16 LEU QD 3.500 . 4.200 2.157 1.966 2.890 0.034 5 0 "[ . 1 . 2]" 1
121 1 16 LEU HB3 1 16 LEU MD1 3.500 . 4.200 2.972 2.422 3.225 . 0 0 "[ . 1 . 2]" 1
122 1 16 LEU HB3 1 16 LEU MD2 3.500 . 4.200 2.360 2.091 3.202 . 0 0 "[ . 1 . 2]" 1
123 1 16 LEU HB3 1 16 LEU QD 3.500 . 4.200 2.218 1.993 2.437 0.007 14 0 "[ . 1 . 2]" 1
124 1 16 LEU HB2 1 45 ILE MD 4.500 . 5.200 4.759 3.648 5.237 0.037 20 0 "[ . 1 . 2]" 1
125 1 16 LEU HB2 1 45 ILE H 3.500 . 4.200 4.173 3.222 4.440 0.240 19 0 "[ . 1 . 2]" 1
126 1 16 LEU HB2 1 46 ASP H 3.500 . 4.200 3.600 2.469 4.107 . 0 0 "[ . 1 . 2]" 1
127 1 16 LEU H 1 45 ILE H 3.500 . 4.200 3.482 3.221 3.749 . 0 0 "[ . 1 . 2]" 1
128 1 16 LEU H 1 46 ASP H 3.500 . 4.200 3.399 3.127 3.691 . 0 0 "[ . 1 . 2]" 1
129 1 16 LEU QD 1 17 VAL H 3.500 . 4.200 2.593 2.060 2.962 . 0 0 "[ . 1 . 2]" 1
130 1 16 LEU QD 1 45 ILE MD 3.500 . 4.200 2.321 2.001 2.918 . 0 0 "[ . 1 . 2]" 1
131 1 16 LEU QD 1 88 PHE HB2 3.500 . 4.200 2.833 2.236 3.372 . 0 0 "[ . 1 . 2]" 1
132 1 16 LEU QD 1 89 GLY HA2 3.500 . 4.200 3.880 3.350 4.242 0.042 12 0 "[ . 1 . 2]" 1
133 1 17 VAL HA 1 17 VAL MG1 3.500 . 4.200 2.318 2.241 2.453 . 0 0 "[ . 1 . 2]" 1
134 1 17 VAL HA 1 17 VAL MG2 3.500 . 4.200 3.204 3.191 3.219 . 0 0 "[ . 1 . 2]" 1
135 1 17 VAL HB 1 18 LYS H 3.500 . 4.200 2.630 2.490 2.887 . 0 0 "[ . 1 . 2]" 1
136 1 17 VAL HB 1 19 LYS H 3.500 . 4.200 2.801 2.336 3.041 . 0 0 "[ . 1 . 2]" 1
137 1 17 VAL MG2 1 19 LYS H 3.500 . 4.200 3.148 2.644 3.567 . 0 0 "[ . 1 . 2]" 1
138 1 17 VAL MG2 1 22 GLU HB2 4.500 . 5.200 2.633 2.288 3.117 . 0 0 "[ . 1 . 2]" 1
139 1 17 VAL MG2 1 23 ALA HA 3.500 . 4.200 2.401 2.136 2.696 . 0 0 "[ . 1 . 2]" 1
140 1 17 VAL MG2 1 23 ALA MB 3.500 . 4.200 2.055 1.942 2.274 0.058 18 0 "[ . 1 . 2]" 1
141 1 17 VAL MG2 1 23 ALA H 3.500 . 4.200 2.391 2.160 2.790 . 0 0 "[ . 1 . 2]" 1
142 1 17 VAL MG2 1 26 VAL MG1 3.500 . 4.200 4.075 3.129 4.328 0.128 12 0 "[ . 1 . 2]" 1
143 1 17 VAL MG2 1 90 TYR HB3 3.500 . 4.200 2.579 2.048 3.075 . 0 0 "[ . 1 . 2]" 1
144 1 17 VAL H 1 17 VAL MG2 3.500 . 4.200 2.097 2.001 2.262 . 0 0 "[ . 1 . 2]" 1
145 1 18 LYS HA 1 18 LYS QG 3.500 . 4.200 2.504 2.252 3.435 . 0 0 "[ . 1 . 2]" 1
146 1 18 LYS QD 1 45 ILE MD 3.500 . 4.200 3.656 2.587 4.419 0.219 14 0 "[ . 1 . 2]" 1
147 1 18 LYS QE 1 45 ILE MD 3.500 . 4.200 3.682 2.018 4.292 0.092 12 0 "[ . 1 . 2]" 1
148 1 18 LYS H 1 18 LYS QG 3.500 . 4.200 2.200 1.869 2.578 0.131 18 0 "[ . 1 . 2]" 1
149 1 18 LYS H 1 19 LYS H 3.500 . 4.200 2.550 2.304 2.713 . 0 0 "[ . 1 . 2]" 1
150 1 18 LYS H 1 45 ILE MD 3.500 . 4.200 3.382 3.054 3.670 . 0 0 "[ . 1 . 2]" 1
151 1 19 LYS HA 1 19 LYS HG3 3.500 . 4.200 3.091 2.105 3.762 . 0 0 "[ . 1 . 2]" 1
152 1 19 LYS HA 1 20 GLN H 3.500 . 4.200 2.212 2.139 2.306 . 0 0 "[ . 1 . 2]" 1
153 1 19 LYS H 1 19 LYS HG2 5.500 . 6.000 3.674 2.336 4.675 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLN H 1 20 GLN QB 3.500 . 4.200 2.392 2.231 2.793 . 0 0 "[ . 1 . 2]" 1
155 1 22 GLU HA 1 22 GLU HG3 3.500 . 4.200 2.882 2.813 2.974 . 0 0 "[ . 1 . 2]" 1
156 1 22 GLU HA 1 25 ALA MB 3.500 . 4.200 2.357 2.198 2.481 . 0 0 "[ . 1 . 2]" 1
157 1 22 GLU HB3 1 23 ALA H 3.500 . 4.200 3.504 3.435 3.576 . 0 0 "[ . 1 . 2]" 1
158 1 22 GLU HB2 1 23 ALA H 3.500 . 4.200 2.528 2.411 2.614 . 0 0 "[ . 1 . 2]" 1
159 1 22 GLU HB2 1 26 VAL MG1 4.500 . 5.200 4.799 4.456 5.137 . 0 0 "[ . 1 . 2]" 1
160 1 22 GLU H 1 22 GLU HB3 3.500 . 4.200 3.551 3.524 3.581 . 0 0 "[ . 1 . 2]" 1
161 1 22 GLU H 1 22 GLU HB2 3.500 . 4.200 2.405 2.370 2.476 . 0 0 "[ . 1 . 2]" 1
162 1 22 GLU H 1 22 GLU HG3 3.500 . 4.200 2.345 2.259 2.497 . 0 0 "[ . 1 . 2]" 1
163 1 22 GLU H 1 23 ALA H 3.500 . 4.200 2.521 2.482 2.575 . 0 0 "[ . 1 . 2]" 1
164 1 23 ALA HA 1 26 VAL MG1 3.500 . 4.200 3.404 2.734 3.715 . 0 0 "[ . 1 . 2]" 1
165 1 23 ALA MB 1 83 PRO HB3 3.500 . 4.200 2.300 1.992 2.821 0.008 10 0 "[ . 1 . 2]" 1
166 1 23 ALA MB 1 83 PRO HB2 3.500 . 4.200 3.601 3.129 4.217 0.017 7 0 "[ . 1 . 2]" 1
167 1 23 ALA H 1 23 ALA MB 3.500 . 4.200 2.208 2.057 2.285 . 0 0 "[ . 1 . 2]" 1
168 1 23 ALA H 1 24 LEU H 3.500 . 4.200 2.716 2.617 2.789 . 0 0 "[ . 1 . 2]" 1
169 1 24 LEU HA 1 24 LEU MD2 3.500 . 4.200 2.049 1.946 2.456 0.054 20 0 "[ . 1 . 2]" 1
170 1 24 LEU HA 1 27 GLN HB3 3.500 . 4.200 3.316 2.043 4.206 0.006 10 0 "[ . 1 . 2]" 1
171 1 24 LEU HB3 1 24 LEU MD2 3.500 . 4.200 2.807 2.252 3.229 . 0 0 "[ . 1 . 2]" 1
172 1 24 LEU HB2 1 24 LEU MD1 3.500 . 4.200 2.791 2.243 3.214 . 0 0 "[ . 1 . 2]" 1
173 1 24 LEU HB2 1 25 ALA H 3.500 . 4.200 2.706 2.562 2.815 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU MD2 1 83 PRO HG3 3.500 . 4.200 2.322 1.949 3.129 0.051 14 0 "[ . 1 . 2]" 1
175 1 24 LEU H 1 25 ALA H 3.500 . 4.200 2.614 2.547 2.656 . 0 0 "[ . 1 . 2]" 1
176 1 25 ALA HA 1 28 GLU HB3 4.500 . 5.200 4.598 2.876 5.052 . 0 0 "[ . 1 . 2]" 1
177 1 25 ALA MB 1 26 VAL H 3.500 . 4.200 2.427 2.322 2.538 . 0 0 "[ . 1 . 2]" 1
178 1 25 ALA H 1 25 ALA MB 3.500 . 4.200 2.216 2.086 2.264 . 0 0 "[ . 1 . 2]" 1
179 1 25 ALA H 1 26 VAL H 3.500 . 4.200 2.833 2.791 2.878 . 0 0 "[ . 1 . 2]" 1
180 1 26 VAL HA 1 26 VAL MG1 3.500 . 4.200 2.325 2.247 2.450 . 0 0 "[ . 1 . 2]" 1
181 1 26 VAL HA 1 26 VAL MG2 3.500 . 4.200 3.218 3.198 3.231 . 0 0 "[ . 1 . 2]" 1
182 1 26 VAL HA 1 29 ARG H 3.500 . 4.200 3.161 2.923 3.546 . 0 0 "[ . 1 . 2]" 1
183 1 26 VAL MG1 1 39 LEU MD1 3.500 . 4.200 2.210 1.928 3.716 0.072 7 0 "[ . 1 . 2]" 1
184 1 26 VAL MG1 1 43 LEU HG 3.500 . 4.200 2.976 1.904 4.001 0.096 18 0 "[ . 1 . 2]" 1
185 1 26 VAL MG2 1 27 GLN HA 3.500 . 4.200 3.170 2.950 3.387 . 0 0 "[ . 1 . 2]" 1
186 1 26 VAL MG2 1 80 VAL MG1 3.500 . 4.200 3.702 3.140 4.160 . 0 0 "[ . 1 . 2]" 1
187 1 26 VAL H 1 26 VAL HB 3.500 . 4.200 3.649 3.628 3.681 . 0 0 "[ . 1 . 2]" 1
188 1 26 VAL H 1 26 VAL MG1 3.500 . 4.200 2.257 2.098 2.367 . 0 0 "[ . 1 . 2]" 1
189 1 26 VAL H 1 26 VAL MG2 3.500 . 4.200 2.147 1.980 2.417 0.020 2 0 "[ . 1 . 2]" 1
190 1 26 VAL H 1 27 GLN H 3.500 . 4.200 2.563 2.359 2.695 . 0 0 "[ . 1 . 2]" 1
191 1 27 GLN HA 1 80 VAL MG2 3.500 . 4.200 3.582 3.224 3.970 . 0 0 "[ . 1 . 2]" 1
192 1 27 GLN HB3 1 28 GLU H 3.500 . 4.200 3.073 2.313 3.501 . 0 0 "[ . 1 . 2]" 1
193 1 27 GLN HB2 1 80 VAL MG2 5.500 . 6.000 5.644 5.210 5.903 . 0 0 "[ . 1 . 2]" 1
194 1 27 GLN H 1 27 GLN HB3 3.500 . 4.200 3.297 2.282 3.623 . 0 0 "[ . 1 . 2]" 1
195 1 27 GLN H 1 27 GLN HG3 3.500 . 4.200 3.054 2.198 4.222 0.022 15 0 "[ . 1 . 2]" 1
196 1 27 GLN H 1 28 GLU H 3.500 . 4.200 2.728 2.650 2.797 . 0 0 "[ . 1 . 2]" 1
197 1 28 GLU HA 1 28 GLU HG3 3.500 . 4.200 3.259 2.862 3.692 . 0 0 "[ . 1 . 2]" 1
198 1 28 GLU H 1 28 GLU HB3 3.500 . 4.200 3.554 2.624 3.634 . 0 0 "[ . 1 . 2]" 1
199 1 28 GLU H 1 28 GLU HG2 5.500 . 6.000 3.051 2.262 4.637 . 0 0 "[ . 1 . 2]" 1
200 1 29 ARG HA 1 29 ARG HG3 3.500 . 4.200 2.433 2.191 2.746 . 0 0 "[ . 1 . 2]" 1
201 1 29 ARG HA 1 32 ALA MB 3.500 . 4.200 2.663 2.104 3.329 . 0 0 "[ . 1 . 2]" 1
202 1 29 ARG HA 1 32 ALA H 3.500 . 4.200 3.222 2.875 3.461 . 0 0 "[ . 1 . 2]" 1
203 1 29 ARG HG3 1 32 ALA MB 3.500 . 4.200 3.120 2.806 3.650 . 0 0 "[ . 1 . 2]" 1
204 1 30 LEU HA 1 30 LEU MD1 3.500 . 4.200 2.159 1.921 2.377 0.079 10 0 "[ . 1 . 2]" 1
205 1 30 LEU HA 1 31 LYS H 3.500 . 4.200 3.473 3.399 3.522 . 0 0 "[ . 1 . 2]" 1
206 1 30 LEU HB3 1 30 LEU MD2 3.500 . 4.200 3.214 3.179 3.237 . 0 0 "[ . 1 . 2]" 1
207 1 30 LEU HB3 1 31 LYS H 3.500 . 4.200 3.195 2.472 3.465 . 0 0 "[ . 1 . 2]" 1
208 1 30 LEU HB2 1 30 LEU MD1 3.500 . 4.200 3.196 3.143 3.237 . 0 0 "[ . 1 . 2]" 1
209 1 30 LEU HB2 1 31 LYS H 3.500 . 4.200 3.138 2.752 3.680 . 0 0 "[ . 1 . 2]" 1
210 1 30 LEU MD1 1 36 PHE HA 3.500 . 4.200 2.608 1.963 4.052 0.037 14 0 "[ . 1 . 2]" 1
211 1 30 LEU MD1 1 36 PHE QD 3.500 . 4.200 2.459 1.988 3.793 0.012 19 0 "[ . 1 . 2]" 1
212 1 30 LEU MD1 1 39 LEU MD2 3.500 . 4.200 3.779 2.857 4.384 0.184 17 0 "[ . 1 . 2]" 1
213 1 30 LEU MD2 1 39 LEU HB2 3.500 . 4.200 2.753 2.341 3.247 . 0 0 "[ . 1 . 2]" 1
214 1 30 LEU H 1 30 LEU HB3 3.500 . 4.200 3.327 2.831 3.576 . 0 0 "[ . 1 . 2]" 1
215 1 30 LEU H 1 30 LEU HB2 3.500 . 4.200 2.189 2.051 2.294 . 0 0 "[ . 1 . 2]" 1
216 1 30 LEU H 1 30 LEU MD2 3.500 . 4.200 2.604 2.065 3.671 . 0 0 "[ . 1 . 2]" 1
217 1 30 LEU H 1 80 VAL MG2 5.500 . 6.000 4.756 4.164 5.139 . 0 0 "[ . 1 . 2]" 1
218 1 31 LYS HA 1 33 GLY H 3.500 . 4.200 3.520 3.189 3.774 . 0 0 "[ . 1 . 2]" 1
219 1 31 LYS HB3 1 31 LYS HD2 3.500 . 4.200 2.676 2.374 4.238 0.038 17 0 "[ . 1 . 2]" 1
220 1 31 LYS H 1 31 LYS HD2 3.500 . 4.200 3.868 2.186 4.190 . 0 0 "[ . 1 . 2]" 1
221 1 32 ALA MB 1 33 GLY H 3.500 . 4.200 3.059 2.882 3.312 . 0 0 "[ . 1 . 2]" 1
222 1 32 ALA H 1 32 ALA MB 3.500 . 4.200 2.223 2.088 2.284 . 0 0 "[ . 1 . 2]" 1
223 1 32 ALA H 1 33 GLY H 3.500 . 4.200 2.543 2.326 2.673 . 0 0 "[ . 1 . 2]" 1
224 1 32 ALA H 1 34 GLU H 3.500 . 4.200 3.749 3.358 4.001 . 0 0 "[ . 1 . 2]" 1
225 1 34 GLU HA 1 34 GLU HG3 5.500 . 6.000 3.283 2.938 3.710 . 0 0 "[ . 1 . 2]" 1
226 1 34 GLU HA 1 35 LYS H 3.500 . 4.200 2.279 2.180 2.418 . 0 0 "[ . 1 . 2]" 1
227 1 34 GLU HB3 1 35 LYS H 3.500 . 4.200 2.681 2.402 3.059 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLU HB2 1 35 LYS H 3.500 . 4.200 3.839 3.622 4.127 . 0 0 "[ . 1 . 2]" 1
229 1 34 GLU HB2 1 38 LYS QG 5.500 . 6.000 5.554 4.907 6.136 0.136 11 0 "[ . 1 . 2]" 1
230 1 34 GLU HB2 1 39 LEU MD2 3.500 . 4.200 2.532 2.276 2.890 . 0 0 "[ . 1 . 2]" 1
231 1 34 GLU H 1 34 GLU HB3 3.500 . 4.200 3.630 3.557 3.671 . 0 0 "[ . 1 . 2]" 1
232 1 34 GLU H 1 34 GLU HG3 3.500 . 4.200 2.689 2.138 3.578 . 0 0 "[ . 1 . 2]" 1
233 1 35 LYS HA 1 35 LYS QG 3.500 . 4.200 2.301 2.160 3.067 . 0 0 "[ . 1 . 2]" 1
234 1 35 LYS H 1 35 LYS HB3 3.500 . 4.200 3.036 2.495 3.616 . 0 0 "[ . 1 . 2]" 1
235 1 35 LYS H 1 35 LYS HB2 3.500 . 4.200 2.344 2.183 2.610 . 0 0 "[ . 1 . 2]" 1
236 1 37 GLY HA3 1 53 ASP HB2 3.500 . 4.200 3.037 1.996 3.530 0.004 18 0 "[ . 1 . 2]" 1
237 1 37 GLY HA2 1 53 ASP HB2 3.500 . 4.200 3.296 2.104 3.590 . 0 0 "[ . 1 . 2]" 1
238 1 37 GLY H 1 38 LYS H 3.500 . 4.200 2.683 2.603 2.772 . 0 0 "[ . 1 . 2]" 1
239 1 38 LYS HA 1 38 LYS QG 3.500 . 4.200 2.389 2.237 2.465 . 0 0 "[ . 1 . 2]" 1
240 1 38 LYS QB 1 39 LEU H 3.500 . 4.200 2.404 2.304 2.541 . 0 0 "[ . 1 . 2]" 1
241 1 39 LEU HA 1 39 LEU MD2 3.500 . 4.200 2.287 1.894 2.612 0.106 10 0 "[ . 1 . 2]" 1
242 1 39 LEU HA 1 42 GLU HB2 3.500 . 4.200 2.291 1.912 2.642 0.088 10 0 "[ . 1 . 2]" 1
243 1 39 LEU HA 1 43 LEU H 3.500 . 4.200 3.405 3.059 3.703 . 0 0 "[ . 1 . 2]" 1
244 1 39 LEU HB3 1 39 LEU MD2 3.500 . 4.200 3.179 2.853 3.240 . 0 0 "[ . 1 . 2]" 1
245 1 39 LEU HB3 1 40 ALA H 3.500 . 4.200 3.433 3.288 3.678 . 0 0 "[ . 1 . 2]" 1
246 1 39 LEU HB2 1 39 LEU MD1 3.500 . 4.200 3.136 2.735 3.229 . 0 0 "[ . 1 . 2]" 1
247 1 39 LEU HB2 1 40 ALA H 3.500 . 4.200 2.739 2.638 2.928 . 0 0 "[ . 1 . 2]" 1
248 1 39 LEU MD1 1 42 GLU HB2 3.500 . 4.200 3.482 2.677 4.434 0.234 16 0 "[ . 1 . 2]" 1
249 1 39 LEU MD1 1 43 LEU MD1 3.500 . 4.200 2.659 1.866 4.269 0.134 1 0 "[ . 1 . 2]" 1
250 1 39 LEU H 1 39 LEU HB3 3.500 . 4.200 3.558 3.523 3.615 . 0 0 "[ . 1 . 2]" 1
251 1 39 LEU H 1 40 ALA H 3.500 . 4.200 2.590 2.541 2.669 . 0 0 "[ . 1 . 2]" 1
252 1 3 MET HA 1 3 MET QG 3.500 . 4.200 2.452 2.017 2.899 . 0 0 "[ . 1 . 2]" 1
253 1 40 ALA MB 1 41 LYS H 3.500 . 4.200 2.374 2.308 2.469 . 0 0 "[ . 1 . 2]" 1
254 1 40 ALA MB 1 50 ALA MB 3.500 . 4.200 3.907 3.446 4.299 0.099 20 0 "[ . 1 . 2]" 1
255 1 40 ALA H 1 40 ALA MB 3.500 . 4.200 2.211 2.164 2.280 . 0 0 "[ . 1 . 2]" 1
256 1 41 LYS H 1 41 LYS QB 3.500 . 4.200 2.401 2.272 2.819 . 0 0 "[ . 1 . 2]" 1
257 1 41 LYS H 1 41 LYS QG 3.500 . 4.200 2.436 1.951 3.975 0.049 17 0 "[ . 1 . 2]" 1
258 1 41 LYS H 1 42 GLU H 3.500 . 4.200 2.575 2.469 2.663 . 0 0 "[ . 1 . 2]" 1
259 1 42 GLU HA 1 42 GLU QG 3.500 . 4.200 2.312 2.089 2.840 . 0 0 "[ . 1 . 2]" 1
260 1 42 GLU HB3 1 43 LEU MD2 5.500 . 6.000 4.974 3.977 5.669 . 0 0 "[ . 1 . 2]" 1
261 1 42 GLU HB2 1 43 LEU H 3.500 . 4.200 2.744 2.296 3.537 . 0 0 "[ . 1 . 2]" 1
262 1 42 GLU H 1 42 GLU HB3 3.500 . 4.200 3.444 2.532 3.603 . 0 0 "[ . 1 . 2]" 1
263 1 42 GLU H 1 42 GLU HB2 3.500 . 4.200 2.272 2.129 2.459 . 0 0 "[ . 1 . 2]" 1
264 1 42 GLU H 1 43 LEU H 3.500 . 4.200 2.852 2.704 3.137 . 0 0 "[ . 1 . 2]" 1
265 1 43 LEU HA 1 43 LEU MD2 3.500 . 4.200 2.995 2.007 4.084 . 0 0 "[ . 1 . 2]" 1
266 1 43 LEU MD2 1 44 SER HB3 5.500 . 6.000 5.882 4.317 6.488 0.488 6 0 "[ . 1 . 2]" 1
267 1 43 LEU MD2 1 44 SER H 5.500 . 6.000 4.013 1.964 4.834 0.036 9 0 "[ . 1 . 2]" 1
268 1 43 LEU H 1 43 LEU MD2 3.500 . 4.200 3.946 1.935 4.432 0.232 15 0 "[ . 1 . 2]" 1
269 1 44 SER HA 1 46 ASP H 3.500 . 4.200 3.416 3.098 3.612 . 0 0 "[ . 1 . 2]" 1
270 1 44 SER HB2 1 50 ALA MB 3.500 . 4.200 3.147 2.107 4.310 0.110 1 0 "[ . 1 . 2]" 1
271 1 44 SER H 1 44 SER HB3 3.500 . 4.200 3.313 2.174 3.643 . 0 0 "[ . 1 . 2]" 1
272 1 44 SER H 1 44 SER HB2 3.500 . 4.200 2.902 2.286 3.602 . 0 0 "[ . 1 . 2]" 1
273 1 45 ILE HA 1 45 ILE MG 3.500 . 4.200 2.326 2.258 2.431 . 0 0 "[ . 1 . 2]" 1
274 1 45 ILE HB 1 45 ILE MD 3.500 . 4.200 2.294 2.232 2.389 . 0 0 "[ . 1 . 2]" 1
275 1 45 ILE HG13 1 46 ASP H 3.500 . 4.200 3.118 2.834 3.485 . 0 0 "[ . 1 . 2]" 1
276 1 45 ILE H 1 45 ILE MD 3.500 . 4.200 3.690 3.632 3.739 . 0 0 "[ . 1 . 2]" 1
277 1 45 ILE H 1 45 ILE HG13 3.500 . 4.200 2.932 2.838 3.047 . 0 0 "[ . 1 . 2]" 1
278 1 45 ILE H 1 45 ILE MG 3.500 . 4.200 2.541 2.345 2.688 . 0 0 "[ . 1 . 2]" 1
279 1 45 ILE H 1 46 ASP H 3.500 . 4.200 2.203 2.078 2.449 . 0 0 "[ . 1 . 2]" 1
280 1 46 ASP H 1 46 ASP HB2 3.500 . 4.200 2.803 2.680 3.631 . 0 0 "[ . 1 . 2]" 1
281 1 49 SER H 1 50 ALA H 3.500 . 4.200 2.546 2.437 2.692 . 0 0 "[ . 1 . 2]" 1
282 1 51 LYS HA 1 51 LYS QD 5.500 . 6.000 2.408 1.915 4.145 0.085 16 0 "[ . 1 . 2]" 1
283 1 51 LYS HA 1 51 LYS HG3 3.500 . 4.200 3.436 1.993 3.766 0.007 17 0 "[ . 1 . 2]" 1
284 1 51 LYS HB3 1 52 ARG H 4.500 . 5.200 3.733 3.534 4.153 . 0 0 "[ . 1 . 2]" 1
285 1 51 LYS QE 1 51 LYS HG3 3.500 . 4.200 2.767 2.312 3.282 . 0 0 "[ . 1 . 2]" 1
286 1 51 LYS H 1 51 LYS HB3 3.500 . 4.200 3.588 3.513 3.624 . 0 0 "[ . 1 . 2]" 1
287 1 51 LYS H 1 51 LYS HB2 3.500 . 4.200 2.475 2.251 2.640 . 0 0 "[ . 1 . 2]" 1
288 1 51 LYS H 1 51 LYS HG3 3.500 . 4.200 3.386 2.184 3.742 . 0 0 "[ . 1 . 2]" 1
289 1 51 LYS H 1 52 ARG H 3.500 . 4.200 2.519 2.385 2.585 . 0 0 "[ . 1 . 2]" 1
290 1 52 ARG H 1 52 ARG HG3 3.500 . 4.200 2.905 2.400 4.042 . 0 0 "[ . 1 . 2]" 1
291 1 52 ARG H 1 52 ARG HG2 3.500 . 4.200 3.580 2.532 4.035 . 0 0 "[ . 1 . 2]" 1
292 1 55 SER HA 1 96 LEU MD2 3.500 . 4.200 3.345 2.812 4.061 . 0 0 "[ . 1 . 2]" 1
293 1 55 SER QB 1 56 LEU H 3.500 . 4.200 3.719 3.189 3.846 . 0 0 "[ . 1 . 2]" 1
294 1 55 SER H 1 55 SER QB 3.500 . 4.200 2.659 2.337 2.854 . 0 0 "[ . 1 . 2]" 1
295 1 56 LEU HA 1 56 LEU MD2 3.500 . 4.200 2.078 1.972 2.178 0.028 14 0 "[ . 1 . 2]" 1
296 1 56 LEU HB3 1 56 LEU MD1 3.500 . 4.200 2.385 2.305 2.463 . 0 0 "[ . 1 . 2]" 1
297 1 56 LEU MD1 1 64 MET ME 3.500 . 4.200 2.224 1.899 3.087 0.101 16 0 "[ . 1 . 2]" 1
298 1 56 LEU MD1 1 93 ILE MG 4.500 . 5.200 3.755 3.455 4.182 . 0 0 "[ . 1 . 2]" 1
299 1 57 GLY HA3 1 58 TYR H 3.500 . 4.200 2.234 2.169 2.304 . 0 0 "[ . 1 . 2]" 1
300 1 57 GLY HA2 1 58 TYR H 3.500 . 4.200 2.989 2.904 3.144 . 0 0 "[ . 1 . 2]" 1
301 1 58 TYR HA 1 59 PHE H 3.500 . 4.200 2.201 2.133 2.266 . 0 0 "[ . 1 . 2]" 1
302 1 58 TYR H 1 58 TYR HB3 3.500 . 4.200 3.488 2.539 3.627 . 0 0 "[ . 1 . 2]" 1
303 1 58 TYR H 1 58 TYR HB2 3.500 . 4.200 2.977 2.483 3.648 . 0 0 "[ . 1 . 2]" 1
304 1 59 PHE HB3 1 60 GLY H 3.500 . 4.200 3.908 3.784 4.001 . 0 0 "[ . 1 . 2]" 1
305 1 59 PHE HB2 1 60 GLY H 4.500 . 5.200 2.732 2.602 2.889 . 0 0 "[ . 1 . 2]" 1
306 1 59 PHE H 1 59 PHE HB3 3.500 . 4.200 3.397 3.146 3.503 . 0 0 "[ . 1 . 2]" 1
307 1 61 ARG HA 1 61 ARG QG 3.500 . 4.200 2.398 2.164 3.478 . 0 0 "[ . 1 . 2]" 1
308 1 61 ARG HB3 1 61 ARG QD 3.500 . 4.200 2.668 2.366 3.017 . 0 0 "[ . 1 . 2]" 1
309 1 61 ARG HB2 1 61 ARG QD 3.500 . 4.200 2.699 2.255 3.570 . 0 0 "[ . 1 . 2]" 1
310 1 63 LYS HA 1 63 LYS QD 3.500 . 4.200 3.081 1.909 4.092 0.091 15 0 "[ . 1 . 2]" 1
311 1 63 LYS HA 1 63 LYS QG 3.500 . 4.200 2.511 2.077 3.112 . 0 0 "[ . 1 . 2]" 1
312 1 63 LYS HA 1 64 MET H 3.500 . 4.200 3.487 3.334 3.565 . 0 0 "[ . 1 . 2]" 1
313 1 63 LYS QB 1 63 LYS QD 3.500 . 4.200 2.274 2.106 2.964 . 0 0 "[ . 1 . 2]" 1
314 1 63 LYS H 1 63 LYS QB 3.500 . 4.200 2.352 2.176 2.675 . 0 0 "[ . 1 . 2]" 1
315 1 64 MET HA 1 65 VAL H 3.500 . 4.200 2.340 2.243 2.423 . 0 0 "[ . 1 . 2]" 1
316 1 64 MET ME 1 64 MET QG 3.500 . 4.200 2.096 1.979 2.304 0.021 9 0 "[ . 1 . 2]" 1
317 1 64 MET H 1 64 MET HB3 3.500 . 4.200 3.656 3.557 3.798 . 0 0 "[ . 1 . 2]" 1
318 1 65 VAL HA 1 65 VAL MG1 3.500 . 4.200 2.336 2.261 2.474 . 0 0 "[ . 1 . 2]" 1
319 1 65 VAL HA 1 65 VAL MG2 3.500 . 4.200 3.211 3.195 3.222 . 0 0 "[ . 1 . 2]" 1
320 1 65 VAL MG1 1 88 PHE QD 3.500 . 4.200 2.991 2.148 3.942 . 0 0 "[ . 1 . 2]" 1
321 1 65 VAL MG2 1 66 LYS H 3.500 . 4.200 3.822 3.635 4.005 . 0 0 "[ . 1 . 2]" 1
322 1 65 VAL MG2 1 67 PRO HD3 3.500 . 4.200 4.009 3.691 4.318 0.118 4 0 "[ . 1 . 2]" 1
323 1 65 VAL MG2 1 67 PRO HD2 3.500 . 4.200 2.594 2.066 3.068 . 0 0 "[ . 1 . 2]" 1
324 1 65 VAL MG2 1 67 PRO HG3 3.500 . 4.200 3.834 3.204 4.368 0.168 19 0 "[ . 1 . 2]" 1
325 1 65 VAL MG2 1 68 PHE QD 3.500 . 4.200 3.437 3.232 3.660 . 0 0 "[ . 1 . 2]" 1
326 1 65 VAL MG2 1 69 GLU H 3.500 . 4.200 3.722 3.455 3.870 . 0 0 "[ . 1 . 2]" 1
327 1 65 VAL MG2 1 84 VAL MG1 3.500 . 4.200 3.419 2.760 3.998 . 0 0 "[ . 1 . 2]" 1
328 1 65 VAL MG2 1 86 SER QB 3.500 . 4.200 2.244 1.937 2.703 0.063 1 0 "[ . 1 . 2]" 1
329 1 65 VAL H 1 65 VAL MG1 3.500 . 4.200 2.161 1.961 2.434 0.039 13 0 "[ . 1 . 2]" 1
330 1 65 VAL H 1 65 VAL MG2 3.500 . 4.200 2.061 1.911 2.436 0.089 11 0 "[ . 1 . 2]" 1
331 1 66 LYS HA 1 69 GLU HB3 3.500 . 4.200 4.168 3.847 4.328 0.128 20 0 "[ . 1 . 2]" 1
332 1 66 LYS HA 1 69 GLU H 3.500 . 4.200 3.289 3.106 3.468 . 0 0 "[ . 1 . 2]" 1
333 1 66 LYS HB3 1 67 PRO HD2 3.500 . 4.200 3.757 2.758 4.321 0.121 16 0 "[ . 1 . 2]" 1
334 1 66 LYS HB2 1 67 PRO HD2 3.500 . 4.200 3.266 2.647 4.219 0.019 13 0 "[ . 1 . 2]" 1
335 1 67 PRO HD3 1 68 PHE H 4.500 . 5.200 3.998 3.839 4.254 . 0 0 "[ . 1 . 2]" 1
336 1 68 PHE HA 1 71 ALA H 3.500 . 4.200 3.668 3.548 3.869 . 0 0 "[ . 1 . 2]" 1
337 1 68 PHE HA 1 84 VAL MG1 3.500 . 4.200 2.409 2.022 2.936 . 0 0 "[ . 1 . 2]" 1
338 1 68 PHE QD 1 69 GLU H 4.500 . 5.200 3.336 3.097 3.515 . 0 0 "[ . 1 . 2]" 1
339 1 68 PHE H 1 68 PHE HB3 3.500 . 4.200 2.622 2.541 2.693 . 0 0 "[ . 1 . 2]" 1
340 1 68 PHE H 1 68 PHE HB2 3.500 . 4.200 2.509 2.426 2.612 . 0 0 "[ . 1 . 2]" 1
341 1 68 PHE H 1 69 GLU H 3.500 . 4.200 2.611 2.532 2.706 . 0 0 "[ . 1 . 2]" 1
342 1 68 PHE H 1 70 ASP H 4.500 . 5.200 3.947 3.745 4.167 . 0 0 "[ . 1 . 2]" 1
343 1 69 GLU HA 1 69 GLU HG3 3.500 . 4.200 2.945 2.861 3.034 . 0 0 "[ . 1 . 2]" 1
344 1 69 GLU HA 1 69 GLU HG2 3.500 . 4.200 2.479 2.402 2.537 . 0 0 "[ . 1 . 2]" 1
345 1 69 GLU HA 1 69 GLU QG 3.500 . 4.200 2.356 2.302 2.408 . 0 0 "[ . 1 . 2]" 1
346 1 69 GLU HA 1 72 ALA MB 3.500 . 4.200 2.392 2.079 2.725 . 0 0 "[ . 1 . 2]" 1
347 1 69 GLU H 1 70 ASP H 3.500 . 4.200 2.602 2.491 2.721 . 0 0 "[ . 1 . 2]" 1
348 1 70 ASP QB 1 71 ALA H 3.500 . 4.200 2.420 2.196 2.700 . 0 0 "[ . 1 . 2]" 1
349 1 71 ALA HA 1 74 ARG QD 3.500 . 4.200 3.083 2.152 4.417 0.217 17 0 "[ . 1 . 2]" 1
350 1 71 ALA MB 1 72 ALA H 3.500 . 4.200 2.596 2.437 2.721 . 0 0 "[ . 1 . 2]" 1
351 1 71 ALA MB 1 93 ILE MD 3.500 . 4.200 2.038 1.889 2.231 0.111 10 0 "[ . 1 . 2]" 1
352 1 72 ALA HA 1 93 ILE MD 4.500 . 5.200 3.444 2.797 4.398 . 0 0 "[ . 1 . 2]" 1
353 1 72 ALA HA 1 93 ILE MG 3.500 . 4.200 2.701 2.294 3.337 . 0 0 "[ . 1 . 2]" 1
354 1 72 ALA MB 1 73 PHE H 3.500 . 4.200 2.422 2.308 2.569 . 0 0 "[ . 1 . 2]" 1
355 1 72 ALA MB 1 93 ILE MD 3.500 . 4.200 2.835 2.293 3.674 . 0 0 "[ . 1 . 2]" 1
356 1 72 ALA H 1 72 ALA MB 3.500 . 4.200 2.211 2.164 2.248 . 0 0 "[ . 1 . 2]" 1
357 1 72 ALA H 1 73 PHE H 3.500 . 4.200 2.780 2.660 2.886 . 0 0 "[ . 1 . 2]" 1
358 1 73 PHE HA 1 73 PHE QD 3.500 . 4.200 2.550 2.006 2.962 . 0 0 "[ . 1 . 2]" 1
359 1 73 PHE HA 1 74 ARG H 3.500 . 4.200 3.491 3.424 3.551 . 0 0 "[ . 1 . 2]" 1
360 1 73 PHE H 1 73 PHE HB3 3.500 . 4.200 3.613 3.564 3.634 . 0 0 "[ . 1 . 2]" 1
361 1 73 PHE H 1 73 PHE HB2 3.500 . 4.200 2.404 2.275 2.606 . 0 0 "[ . 1 . 2]" 1
362 1 73 PHE H 1 74 ARG H 3.500 . 4.200 2.637 2.515 2.778 . 0 0 "[ . 1 . 2]" 1
363 1 74 ARG QB 1 74 ARG QD 3.500 . 4.200 2.373 2.163 2.828 . 0 0 "[ . 1 . 2]" 1
364 1 74 ARG H 1 74 ARG HB3 3.500 . 4.200 3.563 2.831 3.655 . 0 0 "[ . 1 . 2]" 1
365 1 74 ARG H 1 74 ARG HB2 3.500 . 4.200 2.430 2.318 2.547 . 0 0 "[ . 1 . 2]" 1
366 1 74 ARG H 1 74 ARG QB 3.500 . 4.200 2.390 2.218 2.498 . 0 0 "[ . 1 . 2]" 1
367 1 75 LEU HA 1 75 LEU MD2 3.500 . 4.200 2.144 1.924 3.374 0.076 3 0 "[ . 1 . 2]" 1
368 1 75 LEU HA 1 76 GLN H 3.500 . 4.200 3.008 2.702 3.247 . 0 0 "[ . 1 . 2]" 1
369 1 75 LEU HB3 1 75 LEU MD1 3.500 . 4.200 2.307 2.087 2.435 . 0 0 "[ . 1 . 2]" 1
370 1 75 LEU HB3 1 79 GLU H 3.500 . 4.200 2.877 2.213 4.499 0.299 16 0 "[ . 1 . 2]" 1
371 1 75 LEU HB2 1 75 LEU MD1 3.500 . 4.200 2.332 2.129 2.589 . 0 0 "[ . 1 . 2]" 1
372 1 75 LEU HB2 1 79 GLU H 3.500 . 4.200 4.142 2.703 4.425 0.225 17 0 "[ . 1 . 2]" 1
373 1 75 LEU MD1 1 79 GLU HB3 3.500 . 4.200 3.231 2.008 4.153 . 0 0 "[ . 1 . 2]" 1
374 1 75 LEU MD1 1 80 VAL HA 3.500 . 4.200 2.947 2.418 3.672 . 0 0 "[ . 1 . 2]" 1
375 1 75 LEU MD1 1 81 SER HA 3.500 . 4.200 2.216 1.834 3.007 0.166 3 0 "[ . 1 . 2]" 1
376 1 75 LEU MD1 1 81 SER QB 3.500 . 4.200 2.008 1.856 2.784 0.144 15 0 "[ . 1 . 2]" 1
377 1 75 LEU MD1 1 81 SER H 3.500 . 4.200 2.330 1.933 2.961 0.067 4 0 "[ . 1 . 2]" 1
378 1 75 LEU MD2 1 77 VAL MG1 3.500 . 4.200 3.108 2.159 4.346 0.146 19 0 "[ . 1 . 2]" 1
379 1 75 LEU H 1 75 LEU HB3 3.500 . 4.200 3.564 2.211 3.750 . 0 0 "[ . 1 . 2]" 1
380 1 75 LEU H 1 75 LEU HG 3.500 . 4.200 2.547 1.897 4.318 0.118 16 0 "[ . 1 . 2]" 1
381 1 76 GLN HA 1 76 GLN HG3 3.500 . 4.200 3.096 2.724 3.697 . 0 0 "[ . 1 . 2]" 1
382 1 76 GLN HB3 1 77 VAL H 3.500 . 4.200 3.916 3.713 4.021 . 0 0 "[ . 1 . 2]" 1
383 1 76 GLN H 1 76 GLN HB3 3.500 . 4.200 3.616 3.574 3.693 . 0 0 "[ . 1 . 2]" 1
384 1 76 GLN H 1 76 GLN HB2 3.500 . 4.200 2.505 2.352 2.638 . 0 0 "[ . 1 . 2]" 1
385 1 77 VAL MG1 1 79 GLU H 3.500 . 4.200 2.221 1.923 4.108 0.077 9 0 "[ . 1 . 2]" 1
386 1 77 VAL MG2 1 79 GLU QG 5.500 . 6.000 3.889 2.247 5.324 . 0 0 "[ . 1 . 2]" 1
387 1 78 GLY HA3 1 79 GLU H 3.500 . 4.200 3.286 3.137 3.575 . 0 0 "[ . 1 . 2]" 1
388 1 79 GLU HA 1 79 GLU HG3 3.500 . 4.200 3.103 2.194 3.664 . 0 0 "[ . 1 . 2]" 1
389 1 79 GLU HA 1 79 GLU HG2 3.500 . 4.200 2.667 1.991 3.990 0.009 6 0 "[ . 1 . 2]" 1
390 1 79 GLU HA 1 80 VAL MG2 3.500 . 4.200 3.471 3.210 3.835 . 0 0 "[ . 1 . 2]" 1
391 1 79 GLU HA 1 80 VAL H 3.500 . 4.200 2.408 2.229 2.505 . 0 0 "[ . 1 . 2]" 1
392 1 79 GLU HB2 1 80 VAL H 3.500 . 4.200 3.783 3.445 4.251 0.051 1 0 "[ . 1 . 2]" 1
393 1 79 GLU QG 1 80 VAL H 3.500 . 4.200 3.033 1.876 4.242 0.124 7 0 "[ . 1 . 2]" 1
394 1 79 GLU H 1 79 GLU HB3 3.500 . 4.200 3.176 2.106 3.543 . 0 0 "[ . 1 . 2]" 1
395 1 7 ALA HA 1 9 LYS H 3.500 . 4.200 3.539 2.823 4.172 . 0 0 "[ . 1 . 2]" 1
396 1 80 VAL HA 1 80 VAL MG1 3.500 . 4.200 2.330 2.200 2.479 . 0 0 "[ . 1 . 2]" 1
397 1 80 VAL HA 1 80 VAL MG2 3.500 . 4.200 2.474 2.312 2.594 . 0 0 "[ . 1 . 2]" 1
398 1 80 VAL HA 1 81 SER H 3.500 . 4.200 2.183 2.130 2.253 . 0 0 "[ . 1 . 2]" 1
399 1 80 VAL HA 1 94 LYS HA 3.500 . 4.200 2.408 2.012 3.063 . 0 0 "[ . 1 . 2]" 1
400 1 80 VAL MG1 1 81 SER H 3.500 . 4.200 2.659 2.488 2.900 . 0 0 "[ . 1 . 2]" 1
401 1 80 VAL MG1 1 92 VAL MG1 3.500 . 4.200 2.047 1.890 2.448 0.110 11 0 "[ . 1 . 2]" 1
402 1 80 VAL MG2 1 92 VAL MG1 3.500 . 4.200 3.892 3.552 4.117 . 0 0 "[ . 1 . 2]" 1
403 1 80 VAL MG2 1 94 LYS HB3 4.500 . 5.200 4.044 3.539 4.840 . 0 0 "[ . 1 . 2]" 1
404 1 80 VAL MG2 1 94 LYS QE 3.500 . 4.200 3.174 1.937 3.933 0.063 17 0 "[ . 1 . 2]" 1
405 1 81 SER HA 1 82 GLU H 3.500 . 4.200 2.263 2.173 2.395 . 0 0 "[ . 1 . 2]" 1
406 1 81 SER QB 1 82 GLU H 3.500 . 4.200 2.595 2.265 3.173 . 0 0 "[ . 1 . 2]" 1
407 1 81 SER H 1 81 SER QB 3.500 . 4.200 2.629 2.244 2.908 . 0 0 "[ . 1 . 2]" 1
408 1 81 SER H 1 92 VAL MG1 3.500 . 4.200 3.512 3.228 4.044 . 0 0 "[ . 1 . 2]" 1
409 1 81 SER H 1 93 ILE HB 3.500 . 4.200 3.516 2.935 3.775 . 0 0 "[ . 1 . 2]" 1
410 1 82 GLU HA 1 82 GLU HG3 3.500 . 4.200 2.753 2.383 3.731 . 0 0 "[ . 1 . 2]" 1
411 1 82 GLU HA 1 83 PRO HD3 3.500 . 4.200 2.316 2.173 2.646 . 0 0 "[ . 1 . 2]" 1
412 1 82 GLU HA 1 83 PRO HD2 3.500 . 4.200 2.958 2.286 3.434 . 0 0 "[ . 1 . 2]" 1
413 1 82 GLU HG3 1 83 PRO HD2 3.500 . 4.200 4.342 4.036 4.484 0.284 20 0 "[ . 1 . 2]" 1
414 1 82 GLU H 1 82 GLU HB3 3.500 . 4.200 3.496 2.992 3.609 . 0 0 "[ . 1 . 2]" 1
415 1 82 GLU H 1 82 GLU HB2 3.500 . 4.200 2.778 2.386 3.476 . 0 0 "[ . 1 . 2]" 1
416 1 82 GLU H 1 82 GLU HG2 3.500 . 4.200 3.319 1.905 3.986 0.095 3 0 "[ . 1 . 2]" 1
417 1 83 PRO HA 1 84 VAL H 3.500 . 4.200 2.210 2.180 2.258 . 0 0 "[ . 1 . 2]" 1
418 1 84 VAL HA 1 84 VAL MG1 3.500 . 4.200 2.401 2.283 2.494 . 0 0 "[ . 1 . 2]" 1
419 1 84 VAL HA 1 84 VAL MG2 3.500 . 4.200 2.390 2.279 2.586 . 0 0 "[ . 1 . 2]" 1
420 1 84 VAL HA 1 85 LYS H 3.500 . 4.200 2.177 2.148 2.218 . 0 0 "[ . 1 . 2]" 1
421 1 84 VAL HB 1 91 HIS H 3.500 . 4.200 2.714 2.305 3.187 . 0 0 "[ . 1 . 2]" 1
422 1 84 VAL MG2 1 93 ILE MD 3.500 . 4.200 2.424 2.015 2.960 . 0 0 "[ . 1 . 2]" 1
423 1 84 VAL H 1 84 VAL HB 3.500 . 4.200 2.481 2.419 2.599 . 0 0 "[ . 1 . 2]" 1
424 1 85 LYS HA 1 85 LYS QG 3.500 . 4.200 2.486 2.058 3.010 . 0 0 "[ . 1 . 2]" 1
425 1 85 LYS HA 1 90 TYR HA 3.500 . 4.200 2.446 2.153 2.934 . 0 0 "[ . 1 . 2]" 1
426 1 85 LYS QE 1 85 LYS QG 3.500 . 4.200 2.321 2.141 2.661 . 0 0 "[ . 1 . 2]" 1
427 1 85 LYS H 1 85 LYS QB 3.500 . 4.200 2.344 2.188 2.518 . 0 0 "[ . 1 . 2]" 1
428 1 86 SER QB 1 89 GLY H 3.500 . 4.200 3.392 3.117 3.762 . 0 0 "[ . 1 . 2]" 1
429 1 87 GLU H 1 87 GLU QB 3.500 . 4.200 2.687 2.205 2.974 . 0 0 "[ . 1 . 2]" 1
430 1 88 PHE HA 1 88 PHE QD 3.500 . 4.200 2.641 2.061 3.038 . 0 0 "[ . 1 . 2]" 1
431 1 88 PHE HB3 1 89 GLY H 3.500 . 4.200 3.494 3.327 3.654 . 0 0 "[ . 1 . 2]" 1
432 1 88 PHE HB2 1 89 GLY H 3.500 . 4.200 2.621 2.374 2.800 . 0 0 "[ . 1 . 2]" 1
433 1 88 PHE H 1 88 PHE HB3 3.500 . 4.200 3.556 3.510 3.592 . 0 0 "[ . 1 . 2]" 1
434 1 88 PHE H 1 88 PHE HB2 3.500 . 4.200 2.367 2.226 2.606 . 0 0 "[ . 1 . 2]" 1
435 1 88 PHE H 1 88 PHE QD 3.500 . 4.200 2.422 1.954 2.739 0.046 3 0 "[ . 1 . 2]" 1
436 1 89 GLY HA2 1 90 TYR H 3.500 . 4.200 3.032 2.878 3.259 . 0 0 "[ . 1 . 2]" 1
437 1 8 ASP QB 1 9 LYS H 3.500 . 4.200 2.979 2.343 3.934 . 0 0 "[ . 1 . 2]" 1
438 1 90 TYR HA 1 91 HIS H 3.500 . 4.200 2.162 2.120 2.206 . 0 0 "[ . 1 . 2]" 1
439 1 91 HIS HB2 1 92 VAL H 3.500 . 4.200 3.718 3.546 3.933 . 0 0 "[ . 1 . 2]" 1
440 1 91 HIS H 1 91 HIS HB3 3.500 . 4.200 3.769 3.689 3.825 . 0 0 "[ . 1 . 2]" 1
441 1 91 HIS H 1 91 HIS HD1 5.500 . 6.000 5.109 5.009 5.246 . 0 0 "[ . 1 . 2]" 1
442 1 92 VAL HA 1 92 VAL MG2 3.500 . 4.200 2.333 2.188 2.657 . 0 0 "[ . 1 . 2]" 1
443 1 92 VAL H 1 92 VAL MG2 3.500 . 4.200 2.885 2.316 3.110 . 0 0 "[ . 1 . 2]" 1
444 1 93 ILE HA 1 93 ILE MG 3.500 . 4.200 2.337 2.283 2.406 . 0 0 "[ . 1 . 2]" 1
445 1 93 ILE MD 1 93 ILE MG 3.500 . 4.200 2.001 1.934 2.064 0.066 12 0 "[ . 1 . 2]" 1
446 1 93 ILE MG 1 94 LYS H 3.500 . 4.200 2.626 2.486 2.792 . 0 0 "[ . 1 . 2]" 1
447 1 94 LYS HA 1 95 ARG H 3.500 . 4.200 2.214 2.143 2.326 . 0 0 "[ . 1 . 2]" 1
448 1 94 LYS HD3 1 95 ARG H 5.500 . 6.000 4.614 3.685 5.048 . 0 0 "[ . 1 . 2]" 1
449 1 94 LYS HD2 1 95 ARG H 5.500 . 6.000 4.472 1.976 5.079 0.024 16 0 "[ . 1 . 2]" 1
450 1 94 LYS QD 1 95 ARG H 3.500 . 4.200 3.961 1.968 4.412 0.212 10 0 "[ . 1 . 2]" 1
451 1 95 ARG HA 1 96 LEU H 3.500 . 4.200 2.191 2.137 2.276 . 0 0 "[ . 1 . 2]" 1
452 1 95 ARG QG 1 96 LEU H 3.500 . 4.200 2.469 1.959 2.985 0.041 16 0 "[ . 1 . 2]" 1
453 1 95 ARG QG 1 97 GLY H 5.200 . 6.000 5.469 4.082 6.196 0.196 10 0 "[ . 1 . 2]" 1
454 1 95 ARG H 1 95 ARG HB3 3.500 . 4.200 2.875 2.373 3.278 . 0 0 "[ . 1 . 2]" 1
455 1 95 ARG H 1 95 ARG HB2 3.500 . 4.200 2.467 2.222 2.923 . 0 0 "[ . 1 . 2]" 1
456 1 96 LEU HB3 1 96 LEU MD1 3.500 . 4.200 3.201 3.123 3.219 . 0 0 "[ . 1 . 2]" 1
457 1 96 LEU HB3 1 96 LEU MD2 3.500 . 4.200 2.310 2.055 2.388 . 0 0 "[ . 1 . 2]" 1
458 1 96 LEU HB2 1 96 LEU MD2 3.500 . 4.200 2.398 2.219 2.709 . 0 0 "[ . 1 . 2]" 1
459 1 96 LEU MD1 1 97 GLY HA3 3.500 . 4.200 4.172 3.757 4.356 0.156 8 0 "[ . 1 . 2]" 1
460 1 96 LEU MD1 1 97 GLY H 3.500 . 4.200 2.191 2.005 2.622 . 0 0 "[ . 1 . 2]" 1
461 1 96 LEU H 1 96 LEU HB2 3.500 . 4.200 2.996 2.827 3.813 . 0 0 "[ . 1 . 2]" 1
462 1 96 LEU H 1 96 LEU HG 3.500 . 4.200 4.202 2.753 4.330 0.130 4 0 "[ . 1 . 2]" 1
463 1 96 LEU H 1 97 GLY H 4.500 . 5.200 4.372 4.247 4.468 . 0 0 "[ . 1 . 2]" 1
464 1 9 LYS HB2 1 10 ILE H 3.500 . 4.200 3.645 3.334 3.863 . 0 0 "[ . 1 . 2]" 1
465 1 9 LYS HB2 1 59 PHE H 3.500 . 4.200 3.870 3.446 4.300 0.100 19 0 "[ . 1 . 2]" 1
466 1 9 LYS HG3 1 60 GLY H 4.500 . 5.200 5.128 4.837 5.319 0.119 16 0 "[ . 1 . 2]" 1
467 1 9 LYS QE 1 9 LYS HG2 3.500 . 4.200 2.744 2.306 3.558 . 0 0 "[ . 1 . 2]" 1
468 1 9 LYS H 1 9 LYS HB3 3.500 . 4.200 3.612 3.553 3.742 . 0 0 "[ . 1 . 2]" 1
469 1 9 LYS H 1 9 LYS HD3 4.500 . 5.200 4.770 3.576 5.287 0.087 10 0 "[ . 1 . 2]" 1
470 1 9 LYS H 1 9 LYS HG2 4.500 . 5.200 3.515 2.052 4.005 . 0 0 "[ . 1 . 2]" 1
471 1 10 ILE HA 1 10 ILE MD 4.500 . 5.200 2.953 1.975 3.892 0.025 11 0 "[ . 1 . 2]" 1
472 1 10 ILE HB 1 11 LYS HA 4.500 . 5.200 4.769 4.508 4.923 . 0 0 "[ . 1 . 2]" 1
473 1 10 ILE HB 1 12 CYS HB2 4.500 . 5.200 5.135 4.456 5.341 0.141 14 0 "[ . 1 . 2]" 1
474 1 10 ILE MD 1 11 LYS H 4.500 . 5.200 4.358 3.378 5.223 0.023 20 0 "[ . 1 . 2]" 1
475 1 10 ILE MD 1 72 ALA HA 4.500 . 5.200 4.639 4.000 5.332 0.132 2 0 "[ . 1 . 2]" 1
476 1 10 ILE MD 1 73 PHE HB3 4.500 . 5.200 4.441 3.910 5.052 . 0 0 "[ . 1 . 2]" 1
477 1 10 ILE MD 1 73 PHE HB2 4.500 . 5.200 4.480 4.105 5.202 0.002 7 0 "[ . 1 . 2]" 1
478 1 10 ILE MD 1 73 PHE QD 4.500 . 5.200 2.831 2.075 3.294 . 0 0 "[ . 1 . 2]" 1
479 1 10 ILE MD 1 73 PHE H 4.500 . 5.200 3.752 3.124 4.478 . 0 0 "[ . 1 . 2]" 1
480 1 10 ILE MD 1 74 ARG H 5.500 . 6.000 5.459 5.002 6.000 0.000 18 0 "[ . 1 . 2]" 1
481 1 10 ILE HG13 1 11 LYS H 5.500 . 6.000 5.284 5.043 5.596 . 0 0 "[ . 1 . 2]" 1
482 1 10 ILE HG12 1 11 LYS H 4.500 . 5.200 4.888 4.481 5.254 0.054 16 0 "[ . 1 . 2]" 1
483 1 10 ILE HG13 1 10 ILE MG 4.500 . 5.200 2.736 2.202 3.193 . 0 0 "[ . 1 . 2]" 1
484 1 10 ILE MG 1 11 LYS H 4.500 . 5.200 2.576 2.390 2.894 . 0 0 "[ . 1 . 2]" 1
485 1 10 ILE MG 1 12 CYS H 4.500 . 5.200 3.883 3.559 4.881 . 0 0 "[ . 1 . 2]" 1
486 1 10 ILE MG 1 73 PHE HA 4.500 . 5.200 3.545 2.740 4.022 . 0 0 "[ . 1 . 2]" 1
487 1 10 ILE MG 1 74 ARG H 5.500 . 6.000 5.611 4.964 6.023 0.023 17 0 "[ . 1 . 2]" 1
488 1 10 ILE MG 1 76 GLN HG3 4.500 . 5.200 4.225 3.514 5.194 . 0 0 "[ . 1 . 2]" 1
489 1 10 ILE H 1 10 ILE MD 4.500 . 5.200 3.629 3.196 3.884 . 0 0 "[ . 1 . 2]" 1
490 1 10 ILE H 1 10 ILE HG13 4.500 . 5.200 3.178 2.111 4.084 . 0 0 "[ . 1 . 2]" 1
491 1 10 ILE H 1 10 ILE HG12 4.500 . 5.200 3.016 2.289 3.904 . 0 0 "[ . 1 . 2]" 1
492 1 10 ILE H 1 10 ILE MG 4.500 . 5.200 3.832 3.738 3.890 . 0 0 "[ . 1 . 2]" 1
493 1 10 ILE H 1 11 LYS HG3 4.500 . 5.200 5.175 5.001 5.376 0.176 2 0 "[ . 1 . 2]" 1
494 1 10 ILE H 1 11 LYS H 4.500 . 5.200 4.362 4.310 4.417 . 0 0 "[ . 1 . 2]" 1
495 1 10 ILE H 1 58 TYR HB2 4.500 . 5.200 5.199 4.602 5.566 0.366 15 0 "[ . 1 . 2]" 1
496 1 10 ILE H 1 60 GLY HA3 5.500 . 6.000 5.139 4.972 5.339 . 0 0 "[ . 1 . 2]" 1
497 1 10 ILE H 1 60 GLY H 4.500 . 5.200 4.694 4.489 4.871 . 0 0 "[ . 1 . 2]" 1
498 1 11 LYS HA 1 11 LYS HG3 4.500 . 5.200 2.983 2.868 3.164 . 0 0 "[ . 1 . 2]" 1
499 1 11 LYS HA 1 58 TYR HA 4.500 . 5.200 2.279 1.952 2.554 0.048 19 0 "[ . 1 . 2]" 1
500 1 11 LYS HB2 1 11 LYS QE 4.500 . 5.200 2.951 2.564 3.747 . 0 0 "[ . 1 . 2]" 1
501 1 11 LYS HB2 1 58 TYR HA 4.500 . 5.200 4.818 4.630 5.063 . 0 0 "[ . 1 . 2]" 1
502 1 11 LYS HB2 1 97 GLY HA3 4.500 . 5.200 5.279 4.133 5.479 0.279 19 0 "[ . 1 . 2]" 1
503 1 11 LYS HB2 1 97 GLY HA2 4.500 . 5.200 3.885 3.573 4.737 . 0 0 "[ . 1 . 2]" 1
504 1 11 LYS HG3 1 58 TYR HA 4.500 . 5.200 3.438 3.128 3.897 . 0 0 "[ . 1 . 2]" 1
505 1 11 LYS HG3 1 58 TYR H 5.500 . 6.000 5.280 4.978 5.921 . 0 0 "[ . 1 . 2]" 1
506 1 11 LYS H 1 11 LYS HB3 4.500 . 5.200 3.624 3.581 3.685 . 0 0 "[ . 1 . 2]" 1
507 1 11 LYS H 1 11 LYS HB2 4.500 . 5.200 2.480 2.312 2.705 . 0 0 "[ . 1 . 2]" 1
508 1 11 LYS H 1 12 CYS H 4.500 . 5.200 4.199 4.098 4.260 . 0 0 "[ . 1 . 2]" 1
509 1 11 LYS H 1 58 TYR HA 4.500 . 5.200 4.001 3.851 4.111 . 0 0 "[ . 1 . 2]" 1
510 1 12 CYS HA 1 93 ILE MG 4.500 . 5.200 4.162 3.807 4.516 . 0 0 "[ . 1 . 2]" 1
511 1 12 CYS HA 1 95 ARG HA 4.500 . 5.200 2.304 2.081 2.695 . 0 0 "[ . 1 . 2]" 1
512 1 12 CYS HA 1 96 LEU MD1 4.500 . 5.200 4.748 4.509 5.145 . 0 0 "[ . 1 . 2]" 1
513 1 12 CYS HA 1 96 LEU HG 4.500 . 5.200 5.108 3.386 5.313 0.113 5 0 "[ . 1 . 2]" 1
514 1 12 CYS HA 1 97 GLY H 5.200 . 6.000 5.943 5.815 6.067 0.067 15 0 "[ . 1 . 2]" 1
515 1 12 CYS HB3 1 56 LEU MD1 4.500 . 5.200 4.418 3.855 5.000 . 0 0 "[ . 1 . 2]" 1
516 1 12 CYS HB3 1 95 ARG HA 4.500 . 5.200 3.729 3.503 4.249 . 0 0 "[ . 1 . 2]" 1
517 1 12 CYS HB2 1 93 ILE MG 4.500 . 5.200 2.671 2.249 3.020 . 0 0 "[ . 1 . 2]" 1
518 1 12 CYS HB2 1 95 ARG H 4.500 . 5.200 4.669 4.379 5.078 . 0 0 "[ . 1 . 2]" 1
519 1 12 CYS HB2 1 96 LEU H 4.500 . 5.200 3.607 3.428 3.910 . 0 0 "[ . 1 . 2]" 1
520 1 12 CYS H 1 12 CYS HB3 4.500 . 5.200 2.842 2.763 2.910 . 0 0 "[ . 1 . 2]" 1
521 1 12 CYS H 1 13 SER H 4.500 . 5.200 4.415 4.338 4.447 . 0 0 "[ . 1 . 2]" 1
522 1 12 CYS H 1 56 LEU MD1 4.500 . 5.200 4.698 4.310 5.033 . 0 0 "[ . 1 . 2]" 1
523 1 12 CYS H 1 56 LEU H 4.500 . 5.200 4.705 4.078 5.294 0.094 7 0 "[ . 1 . 2]" 1
524 1 12 CYS H 1 93 ILE MG 5.500 . 6.000 5.483 5.111 5.726 . 0 0 "[ . 1 . 2]" 1
525 1 12 CYS H 1 95 ARG HA 4.500 . 5.200 4.964 4.780 5.229 0.029 6 0 "[ . 1 . 2]" 1
526 1 13 SER HA 1 55 SER H 4.500 . 5.200 4.468 3.771 4.976 . 0 0 "[ . 1 . 2]" 1
527 1 13 SER HA 1 56 LEU MD1 4.500 . 5.200 3.435 2.881 4.054 . 0 0 "[ . 1 . 2]" 1
528 1 13 SER HA 1 56 LEU H 5.500 . 6.000 1.902 1.828 2.165 0.172 1 0 "[ . 1 . 2]" 1
529 1 13 SER QB 1 14 HIS H 4.500 . 5.200 2.939 2.787 3.158 . 0 0 "[ . 1 . 2]" 1
530 1 13 SER QB 1 56 LEU H 4.500 . 5.200 3.512 3.145 3.807 . 0 0 "[ . 1 . 2]" 1
531 1 13 SER H 1 14 HIS H 4.500 . 5.200 4.331 4.260 4.375 . 0 0 "[ . 1 . 2]" 1
532 1 13 SER H 1 95 ARG H 4.500 . 5.200 4.780 4.648 4.877 . 0 0 "[ . 1 . 2]" 1
533 1 13 SER H 1 96 LEU H 4.500 . 5.200 4.008 3.842 4.177 . 0 0 "[ . 1 . 2]" 1
534 1 14 HIS HA 1 15 ILE MD 4.500 . 5.200 4.554 4.382 4.665 . 0 0 "[ . 1 . 2]" 1
535 1 14 HIS HA 1 56 LEU MD1 5.500 . 6.000 4.209 3.822 4.663 . 0 0 "[ . 1 . 2]" 1
536 1 14 HIS HA 1 92 VAL HB 4.500 . 5.200 4.744 4.381 5.096 . 0 0 "[ . 1 . 2]" 1
537 1 14 HIS HA 1 93 ILE HA 4.500 . 5.200 2.235 2.128 2.333 . 0 0 "[ . 1 . 2]" 1
538 1 14 HIS HA 1 93 ILE MG 4.500 . 5.200 3.588 3.375 3.746 . 0 0 "[ . 1 . 2]" 1
539 1 14 HIS QB 1 15 ILE MD 5.500 . 6.000 5.646 5.442 5.747 . 0 0 "[ . 1 . 2]" 1
540 1 14 HIS QB 1 56 LEU MD1 4.500 . 5.200 2.086 1.927 2.397 0.073 12 0 "[ . 1 . 2]" 1
541 1 14 HIS QB 1 56 LEU MD2 4.500 . 5.200 3.879 3.274 4.375 . 0 0 "[ . 1 . 2]" 1
542 1 14 HIS QB 1 92 VAL H 4.500 . 5.200 3.848 3.559 4.193 . 0 0 "[ . 1 . 2]" 1
543 1 14 HIS QB 1 93 ILE HA 4.500 . 5.200 2.930 2.679 3.199 . 0 0 "[ . 1 . 2]" 1
544 1 14 HIS QB 1 93 ILE MG 4.500 . 5.200 3.107 2.927 3.345 . 0 0 "[ . 1 . 2]" 1
545 1 14 HIS HE1 1 91 HIS HE1 4.500 . 5.200 2.760 2.369 3.134 . 0 0 "[ . 1 . 2]" 1
546 1 14 HIS H 1 15 ILE MD 5.500 . 6.000 5.615 5.451 5.893 . 0 0 "[ . 1 . 2]" 1
547 1 14 HIS H 1 15 ILE H 4.500 . 5.200 4.399 4.323 4.449 . 0 0 "[ . 1 . 2]" 1
548 1 14 HIS H 1 54 GLY HA3 4.500 . 5.200 3.102 2.779 3.462 . 0 0 "[ . 1 . 2]" 1
549 1 14 HIS H 1 54 GLY HA2 4.500 . 5.200 3.120 2.781 3.380 . 0 0 "[ . 1 . 2]" 1
550 1 14 HIS H 1 55 SER HA 4.500 . 5.200 4.054 3.554 4.480 . 0 0 "[ . 1 . 2]" 1
551 1 14 HIS H 1 56 LEU MD1 4.500 . 5.200 3.206 2.686 3.652 . 0 0 "[ . 1 . 2]" 1
552 1 14 HIS H 1 56 LEU MD2 4.500 . 5.200 3.867 3.389 4.271 . 0 0 "[ . 1 . 2]" 1
553 1 14 HIS H 1 56 LEU H 4.500 . 5.200 3.309 3.087 4.084 . 0 0 "[ . 1 . 2]" 1
554 1 15 ILE HA 1 15 ILE MD 4.500 . 5.200 3.840 3.817 3.867 . 0 0 "[ . 1 . 2]" 1
555 1 15 ILE HA 1 44 SER HA 4.500 . 5.200 4.080 3.670 4.596 . 0 0 "[ . 1 . 2]" 1
556 1 15 ILE HA 1 44 SER HB2 4.500 . 5.200 3.879 2.326 4.604 . 0 0 "[ . 1 . 2]" 1
557 1 15 ILE HA 1 46 ASP H 4.500 . 5.200 5.109 4.831 5.412 0.212 17 0 "[ . 1 . 2]" 1
558 1 15 ILE HB 1 30 LEU MD2 5.500 . 6.000 5.486 4.680 5.939 . 0 0 "[ . 1 . 2]" 1
559 1 15 ILE HB 1 92 VAL HB 4.500 . 5.200 2.131 1.935 2.454 0.065 20 0 "[ . 1 . 2]" 1
560 1 15 ILE HB 1 92 VAL H 4.500 . 5.200 3.230 2.896 3.401 . 0 0 "[ . 1 . 2]" 1
561 1 15 ILE MD 1 30 LEU MD2 4.500 . 5.200 2.919 2.421 3.365 . 0 0 "[ . 1 . 2]" 1
562 1 15 ILE MD 1 30 LEU HG 4.500 . 5.200 4.167 3.752 5.066 . 0 0 "[ . 1 . 2]" 1
563 1 15 ILE MD 1 36 PHE HA 4.500 . 5.200 3.239 2.999 3.505 . 0 0 "[ . 1 . 2]" 1
564 1 15 ILE MD 1 36 PHE HB3 4.500 . 5.200 4.687 4.322 4.971 . 0 0 "[ . 1 . 2]" 1
565 1 15 ILE MD 1 39 LEU HB3 4.500 . 5.200 2.152 1.974 2.353 0.026 17 0 "[ . 1 . 2]" 1
566 1 15 ILE MD 1 40 ALA H 4.500 . 5.200 2.988 2.382 3.563 . 0 0 "[ . 1 . 2]" 1
567 1 15 ILE MD 1 92 VAL HB 4.500 . 5.200 3.211 2.681 3.570 . 0 0 "[ . 1 . 2]" 1
568 1 15 ILE MD 1 92 VAL H 4.500 . 5.200 4.888 4.575 5.060 . 0 0 "[ . 1 . 2]" 1
569 1 15 ILE MD 1 94 LYS H 4.500 . 5.200 5.282 5.093 5.402 0.202 1 0 "[ . 1 . 2]" 1
570 1 15 ILE HG13 1 40 ALA HA 4.500 . 5.200 3.745 3.520 4.185 . 0 0 "[ . 1 . 2]" 1
571 1 15 ILE HG13 1 40 ALA MB 4.500 . 5.200 3.309 3.053 3.726 . 0 0 "[ . 1 . 2]" 1
572 1 15 ILE HG13 1 40 ALA H 4.500 . 5.200 4.719 4.414 5.026 . 0 0 "[ . 1 . 2]" 1
573 1 15 ILE HG12 1 40 ALA HA 4.500 . 5.200 2.055 1.902 2.441 0.098 19 0 "[ . 1 . 2]" 1
574 1 15 ILE HG12 1 44 SER HB3 4.500 . 5.200 4.237 2.642 4.802 . 0 0 "[ . 1 . 2]" 1
575 1 15 ILE MG 1 17 VAL H 4.500 . 5.200 4.347 4.050 4.580 . 0 0 "[ . 1 . 2]" 1
576 1 15 ILE MG 1 40 ALA HA 4.500 . 5.200 2.600 2.364 2.898 . 0 0 "[ . 1 . 2]" 1
577 1 15 ILE MG 1 40 ALA MB 4.500 . 5.200 3.749 3.485 4.021 . 0 0 "[ . 1 . 2]" 1
578 1 15 ILE MG 1 43 LEU H 4.500 . 5.200 3.903 3.526 4.262 . 0 0 "[ . 1 . 2]" 1
579 1 15 ILE MG 1 44 SER HA 4.500 . 5.200 2.374 2.038 2.677 . 0 0 "[ . 1 . 2]" 1
580 1 15 ILE MG 1 44 SER H 4.500 . 5.200 2.758 2.155 3.151 . 0 0 "[ . 1 . 2]" 1
581 1 15 ILE MG 1 45 ILE H 4.500 . 5.200 4.071 3.761 4.347 . 0 0 "[ . 1 . 2]" 1
582 1 15 ILE H 1 15 ILE MG 4.500 . 5.200 3.835 3.806 3.884 . 0 0 "[ . 1 . 2]" 1
583 1 15 ILE H 1 16 LEU HA 4.500 . 5.200 4.665 4.611 4.725 . 0 0 "[ . 1 . 2]" 1
584 1 15 ILE H 1 91 HIS HA 4.500 . 5.200 4.095 3.842 4.260 . 0 0 "[ . 1 . 2]" 1
585 1 15 ILE H 1 92 VAL HA 4.500 . 5.200 4.526 4.461 4.612 . 0 0 "[ . 1 . 2]" 1
586 1 16 LEU HA 1 46 ASP H 5.500 . 6.000 5.154 4.895 5.447 . 0 0 "[ . 1 . 2]" 1
587 1 16 LEU HA 1 91 HIS HA 4.500 . 5.200 2.293 2.135 2.461 . 0 0 "[ . 1 . 2]" 1
588 1 16 LEU HA 1 92 VAL H 4.500 . 5.200 3.648 3.472 3.809 . 0 0 "[ . 1 . 2]" 1
589 1 16 LEU HB3 1 46 ASP HB3 4.500 . 5.200 3.173 2.483 4.673 . 0 0 "[ . 1 . 2]" 1
590 1 16 LEU HB3 1 46 ASP HB2 4.500 . 5.200 2.615 2.162 4.217 . 0 0 "[ . 1 . 2]" 1
591 1 16 LEU HB2 1 17 VAL H 4.500 . 5.200 4.362 4.251 4.510 . 0 0 "[ . 1 . 2]" 1
592 1 16 LEU HB2 1 44 SER HA 4.500 . 5.200 4.903 4.131 5.251 0.051 19 0 "[ . 1 . 2]" 1
593 1 16 LEU MD1 1 45 ILE MD 4.500 . 5.200 3.301 2.160 3.774 . 0 0 "[ . 1 . 2]" 1
594 1 16 LEU MD1 1 88 PHE HB3 4.500 . 5.200 2.733 2.010 3.503 . 0 0 "[ . 1 . 2]" 1
595 1 16 LEU MD1 1 89 GLY H 4.500 . 5.200 3.723 3.177 4.658 . 0 0 "[ . 1 . 2]" 1
596 1 16 LEU MD2 1 45 ILE MD 4.500 . 5.200 2.583 2.008 4.266 . 0 0 "[ . 1 . 2]" 1
597 1 16 LEU MD2 1 88 PHE HB3 4.500 . 5.200 2.704 2.078 3.556 . 0 0 "[ . 1 . 2]" 1
598 1 16 LEU MD2 1 89 GLY H 4.500 . 5.200 4.277 3.086 5.158 . 0 0 "[ . 1 . 2]" 1
599 1 16 LEU HG 1 17 VAL H 4.500 . 5.200 3.384 2.857 4.783 . 0 0 "[ . 1 . 2]" 1
600 1 16 LEU HG 1 90 TYR H 4.500 . 5.200 4.230 3.730 5.436 0.236 14 0 "[ . 1 . 2]" 1
601 1 16 LEU H 1 16 LEU HB3 4.500 . 5.200 2.709 2.533 3.594 . 0 0 "[ . 1 . 2]" 1
602 1 16 LEU H 1 16 LEU HB2 4.500 . 5.200 2.695 2.355 2.851 . 0 0 "[ . 1 . 2]" 1
603 1 16 LEU H 1 17 VAL H 4.500 . 5.200 4.410 4.317 4.502 . 0 0 "[ . 1 . 2]" 1
604 1 16 LEU H 1 44 SER HA 4.500 . 5.200 2.932 2.354 3.393 . 0 0 "[ . 1 . 2]" 1
605 1 16 LEU H 1 44 SER HB3 4.500 . 5.200 2.416 1.894 3.516 0.106 20 0 "[ . 1 . 2]" 1
606 1 16 LEU H 1 46 ASP HB3 4.500 . 5.200 3.326 2.956 4.151 . 0 0 "[ . 1 . 2]" 1
607 1 16 LEU H 1 91 HIS HA 4.500 . 5.200 4.635 4.537 4.781 . 0 0 "[ . 1 . 2]" 1
608 1 16 LEU QD 1 17 VAL MG2 4.500 . 5.200 3.795 3.396 4.121 . 0 0 "[ . 1 . 2]" 1
609 1 16 LEU QD 1 45 ILE H 4.500 . 5.200 3.682 3.169 4.416 . 0 0 "[ . 1 . 2]" 1
610 1 16 LEU QD 1 46 ASP HB3 4.500 . 5.200 3.602 2.061 4.413 . 0 0 "[ . 1 . 2]" 1
611 1 16 LEU QD 1 46 ASP H 4.500 . 5.200 3.469 2.794 4.055 . 0 0 "[ . 1 . 2]" 1
612 1 16 LEU QD 1 88 PHE HA 4.500 . 5.200 3.979 3.501 4.513 . 0 0 "[ . 1 . 2]" 1
613 1 16 LEU QD 1 88 PHE HB3 4.500 . 5.200 2.299 1.999 2.964 0.001 19 0 "[ . 1 . 2]" 1
614 1 16 LEU QD 1 89 GLY HA3 4.500 . 5.200 2.628 1.954 3.010 0.046 7 0 "[ . 1 . 2]" 1
615 1 16 LEU QD 1 89 GLY H 4.500 . 5.200 3.389 2.989 3.771 . 0 0 "[ . 1 . 2]" 1
616 1 16 LEU QD 1 90 TYR HA 4.500 . 5.200 3.813 3.432 4.888 . 0 0 "[ . 1 . 2]" 1
617 1 16 LEU QD 1 90 TYR H 4.500 . 5.200 2.584 2.090 3.328 . 0 0 "[ . 1 . 2]" 1
618 1 16 LEU QD 1 91 HIS HA 4.500 . 5.200 2.879 2.391 4.239 . 0 0 "[ . 1 . 2]" 1
619 1 16 LEU QD 1 91 HIS H 4.500 . 5.200 3.821 3.215 5.179 . 0 0 "[ . 1 . 2]" 1
620 1 17 VAL HA 1 19 LYS H 4.500 . 5.200 4.175 3.932 4.330 . 0 0 "[ . 1 . 2]" 1
621 1 17 VAL HA 1 45 ILE MD 4.500 . 5.200 3.412 3.017 3.757 . 0 0 "[ . 1 . 2]" 1
622 1 17 VAL HA 1 45 ILE HG13 4.500 . 5.200 4.775 4.361 5.021 . 0 0 "[ . 1 . 2]" 1
623 1 17 VAL HA 1 45 ILE MG 4.500 . 5.200 2.774 2.306 3.157 . 0 0 "[ . 1 . 2]" 1
624 1 17 VAL HA 1 45 ILE H 4.500 . 5.200 3.507 3.171 3.849 . 0 0 "[ . 1 . 2]" 1
625 1 17 VAL HB 1 45 ILE MD 4.500 . 5.200 5.158 4.842 5.351 0.151 4 0 "[ . 1 . 2]" 1
626 1 17 VAL MG1 1 18 LYS H 4.500 . 5.200 3.705 3.491 3.925 . 0 0 "[ . 1 . 2]" 1
627 1 17 VAL MG1 1 22 GLU HB2 4.500 . 5.200 3.291 2.769 3.706 . 0 0 "[ . 1 . 2]" 1
628 1 17 VAL MG1 1 43 LEU HA 4.500 . 5.200 4.599 3.895 5.289 0.089 5 0 "[ . 1 . 2]" 1
629 1 17 VAL MG1 1 43 LEU HB3 4.500 . 5.200 3.340 1.966 4.836 0.034 11 0 "[ . 1 . 2]" 1
630 1 17 VAL MG1 1 44 SER HA 4.500 . 5.200 3.009 2.203 3.643 . 0 0 "[ . 1 . 2]" 1
631 1 17 VAL MG1 1 44 SER HB3 4.500 . 5.200 4.687 3.723 5.277 0.077 15 0 "[ . 1 . 2]" 1
632 1 17 VAL MG1 1 44 SER H 4.500 . 5.200 4.181 3.491 4.800 . 0 0 "[ . 1 . 2]" 1
633 1 17 VAL MG1 1 45 ILE H 4.500 . 5.200 3.941 3.399 4.383 . 0 0 "[ . 1 . 2]" 1
634 1 17 VAL MG2 1 18 LYS HA 4.500 . 5.200 4.449 4.131 4.602 . 0 0 "[ . 1 . 2]" 1
635 1 17 VAL MG2 1 18 LYS H 4.500 . 5.200 3.649 3.329 3.863 . 0 0 "[ . 1 . 2]" 1
636 1 17 VAL MG2 1 19 LYS HG2 5.500 . 6.000 5.911 5.142 6.105 0.105 1 0 "[ . 1 . 2]" 1
637 1 17 VAL MG2 1 22 GLU HA 4.500 . 5.200 4.564 4.035 5.041 . 0 0 "[ . 1 . 2]" 1
638 1 17 VAL MG2 1 22 GLU HB3 4.500 . 5.200 3.283 2.781 3.777 . 0 0 "[ . 1 . 2]" 1
639 1 17 VAL MG2 1 22 GLU H 4.500 . 5.200 4.002 3.699 4.367 . 0 0 "[ . 1 . 2]" 1
640 1 17 VAL MG2 1 90 TYR HB2 4.500 . 5.200 2.207 1.978 2.509 0.022 18 0 "[ . 1 . 2]" 1
641 1 17 VAL MG2 1 90 TYR QD 4.500 . 5.200 3.734 3.311 4.035 . 0 0 "[ . 1 . 2]" 1
642 1 17 VAL MG2 1 90 TYR H 4.500 . 5.200 3.685 3.330 3.965 . 0 0 "[ . 1 . 2]" 1
643 1 17 VAL H 1 17 VAL HB 4.500 . 5.200 3.784 3.706 3.842 . 0 0 "[ . 1 . 2]" 1
644 1 17 VAL H 1 17 VAL MG1 4.500 . 5.200 2.906 2.607 3.058 . 0 0 "[ . 1 . 2]" 1
645 1 17 VAL H 1 18 LYS H 4.500 . 5.200 4.401 4.349 4.482 . 0 0 "[ . 1 . 2]" 1
646 1 18 LYS HA 1 18 LYS QD 4.500 . 5.200 3.864 2.041 4.245 . 0 0 "[ . 1 . 2]" 1
647 1 18 LYS HA 1 45 ILE MD 4.500 . 5.200 3.047 2.534 3.666 . 0 0 "[ . 1 . 2]" 1
648 1 18 LYS HA 1 90 TYR HB3 5.500 . 6.000 6.080 5.574 6.217 0.217 10 0 "[ . 1 . 2]" 1
649 1 18 LYS HB2 1 19 LYS H 4.500 . 5.200 2.812 2.433 3.966 . 0 0 "[ . 1 . 2]" 1
650 1 18 LYS QD 1 45 ILE MG 4.500 . 5.200 3.183 1.960 3.893 0.040 6 0 "[ . 1 . 2]" 1
651 1 18 LYS QE 1 45 ILE MG 4.500 . 5.200 2.812 2.114 3.950 . 0 0 "[ . 1 . 2]" 1
652 1 18 LYS QG 1 45 ILE MD 4.500 . 5.200 2.532 1.848 4.328 0.152 12 0 "[ . 1 . 2]" 1
653 1 18 LYS H 1 18 LYS HB3 4.500 . 5.200 3.487 2.928 3.603 . 0 0 "[ . 1 . 2]" 1
654 1 18 LYS H 1 18 LYS HD3 4.500 . 5.200 4.243 1.914 4.873 0.086 6 0 "[ . 1 . 2]" 1
655 1 18 LYS H 1 18 LYS HD2 4.500 . 5.200 4.122 3.336 4.829 . 0 0 "[ . 1 . 2]" 1
656 1 18 LYS H 1 18 LYS HG3 4.500 . 5.200 2.476 2.048 3.604 . 0 0 "[ . 1 . 2]" 1
657 1 18 LYS H 1 18 LYS HG2 4.500 . 5.200 3.211 1.901 3.898 0.099 18 0 "[ . 1 . 2]" 1
658 1 18 LYS H 1 45 ILE MG 4.500 . 5.200 3.157 2.660 3.524 . 0 0 "[ . 1 . 2]" 1
659 1 19 LYS HA 1 19 LYS QD 4.500 . 5.200 3.447 1.930 4.132 0.070 18 0 "[ . 1 . 2]" 1
660 1 19 LYS HB3 1 22 GLU H 4.500 . 5.200 2.902 2.280 3.529 . 0 0 "[ . 1 . 2]" 1
661 1 19 LYS HB2 1 19 LYS QE 4.500 . 5.200 3.881 2.115 4.654 . 0 0 "[ . 1 . 2]" 1
662 1 19 LYS HB2 1 20 GLN H 4.500 . 5.200 3.881 3.736 4.116 . 0 0 "[ . 1 . 2]" 1
663 1 19 LYS HB2 1 22 GLU H 4.500 . 5.200 2.495 1.981 3.896 0.019 16 0 "[ . 1 . 2]" 1
664 1 1 GLY QA 1 2 PRO QG 4.500 . 5.200 3.812 3.585 4.057 . 0 0 "[ . 1 . 2]" 1
665 1 20 GLN HA 1 21 GLY HA3 5.200 . 6.000 5.354 5.322 5.391 . 0 0 "[ . 1 . 2]" 1
666 1 20 GLN HA 1 22 GLU H 4.500 . 5.200 4.193 4.102 4.330 . 0 0 "[ . 1 . 2]" 1
667 1 20 GLN HA 1 23 ALA H 4.500 . 5.200 3.165 3.005 3.383 . 0 0 "[ . 1 . 2]" 1
668 1 20 GLN H 1 22 GLU H 4.500 . 5.200 4.020 3.891 4.116 . 0 0 "[ . 1 . 2]" 1
669 1 21 GLY HA3 1 24 LEU HB2 4.500 . 5.200 4.112 3.820 4.374 . 0 0 "[ . 1 . 2]" 1
670 1 21 GLY HA3 1 24 LEU H 4.500 . 5.200 4.557 4.433 4.692 . 0 0 "[ . 1 . 2]" 1
671 1 21 GLY HA2 1 24 LEU H 4.500 . 5.200 3.279 3.115 3.417 . 0 0 "[ . 1 . 2]" 1
672 1 22 GLU HA 1 26 VAL MG1 4.500 . 5.200 3.977 3.728 4.296 . 0 0 "[ . 1 . 2]" 1
673 1 22 GLU HB3 1 26 VAL MG1 4.500 . 5.200 3.655 3.334 4.060 . 0 0 "[ . 1 . 2]" 1
674 1 22 GLU HB2 1 25 ALA MB 4.500 . 5.200 4.830 4.605 4.914 . 0 0 "[ . 1 . 2]" 1
675 1 22 GLU HG3 1 23 ALA H 4.500 . 5.200 4.317 4.192 4.416 . 0 0 "[ . 1 . 2]" 1
676 1 22 GLU HG3 1 25 ALA MB 4.500 . 5.200 4.685 4.417 4.833 . 0 0 "[ . 1 . 2]" 1
677 1 22 GLU H 1 23 ALA MB 4.500 . 5.200 4.186 4.111 4.247 . 0 0 "[ . 1 . 2]" 1
678 1 22 GLU H 1 24 LEU H 4.500 . 5.200 4.057 3.924 4.150 . 0 0 "[ . 1 . 2]" 1
679 1 22 GLU H 1 25 ALA MB 4.500 . 5.200 4.418 4.314 4.552 . 0 0 "[ . 1 . 2]" 1
680 1 22 GLU H 1 25 ALA H 4.500 . 5.200 4.470 4.359 4.619 . 0 0 "[ . 1 . 2]" 1
681 1 23 ALA HA 1 25 ALA H 4.500 . 5.200 4.404 4.279 4.494 . 0 0 "[ . 1 . 2]" 1
682 1 23 ALA HA 1 26 VAL MG2 4.500 . 5.200 2.088 1.903 2.213 0.097 17 0 "[ . 1 . 2]" 1
683 1 23 ALA HA 1 26 VAL H 4.500 . 5.200 3.608 3.382 3.737 . 0 0 "[ . 1 . 2]" 1
684 1 23 ALA MB 1 24 LEU HA 4.500 . 5.200 3.806 3.669 3.903 . 0 0 "[ . 1 . 2]" 1
685 1 23 ALA MB 1 24 LEU H 4.500 . 5.200 2.500 2.348 2.664 . 0 0 "[ . 1 . 2]" 1
686 1 23 ALA MB 1 25 ALA H 4.500 . 5.200 4.434 4.397 4.517 . 0 0 "[ . 1 . 2]" 1
687 1 23 ALA MB 1 83 PRO HA 4.500 . 5.200 2.548 2.128 2.962 . 0 0 "[ . 1 . 2]" 1
688 1 23 ALA MB 1 90 TYR HA 4.500 . 5.200 4.867 4.615 5.190 . 0 0 "[ . 1 . 2]" 1
689 1 23 ALA MB 1 90 TYR HB2 4.500 . 5.200 3.701 3.137 4.325 . 0 0 "[ . 1 . 2]" 1
690 1 23 ALA MB 1 90 TYR QD 4.500 . 5.200 3.864 3.450 4.425 . 0 0 "[ . 1 . 2]" 1
691 1 23 ALA MB 1 90 TYR H 5.500 . 6.000 5.551 5.109 6.061 0.061 17 0 "[ . 1 . 2]" 1
692 1 23 ALA H 1 25 ALA MB 4.500 . 5.200 4.588 4.463 4.664 . 0 0 "[ . 1 . 2]" 1
693 1 23 ALA H 1 26 VAL MG1 4.500 . 5.200 4.771 4.311 4.996 . 0 0 "[ . 1 . 2]" 1
694 1 23 ALA H 1 26 VAL H 4.500 . 5.200 4.809 4.666 4.900 . 0 0 "[ . 1 . 2]" 1
695 1 24 LEU HA 1 24 LEU MD1 4.500 . 5.200 2.909 1.998 3.786 0.002 14 0 "[ . 1 . 2]" 1
696 1 24 LEU HA 1 24 LEU HG 4.500 . 5.200 3.321 2.824 3.676 . 0 0 "[ . 1 . 2]" 1
697 1 24 LEU HA 1 27 GLN HG2 4.500 . 5.200 4.529 3.547 4.986 . 0 0 "[ . 1 . 2]" 1
698 1 24 LEU HA 1 27 GLN H 4.500 . 5.200 3.320 3.157 3.514 . 0 0 "[ . 1 . 2]" 1
699 1 24 LEU HB3 1 25 ALA H 4.500 . 5.200 3.472 3.339 3.686 . 0 0 "[ . 1 . 2]" 1
700 1 24 LEU HB2 1 25 ALA MB 4.500 . 5.200 4.183 3.977 4.311 . 0 0 "[ . 1 . 2]" 1
701 1 24 LEU MD1 1 25 ALA HA 5.500 . 6.000 5.528 5.268 5.822 . 0 0 "[ . 1 . 2]" 1
702 1 24 LEU MD1 1 25 ALA H 4.500 . 5.200 4.644 4.435 4.784 . 0 0 "[ . 1 . 2]" 1
703 1 24 LEU MD1 1 27 GLN HB3 4.500 . 5.200 4.674 3.613 5.618 0.418 18 0 "[ . 1 . 2]" 1
704 1 24 LEU MD1 1 83 PRO HD2 4.500 . 5.200 4.284 3.705 4.998 . 0 0 "[ . 1 . 2]" 1
705 1 24 LEU MD2 1 27 GLN HB3 4.500 . 5.200 4.132 3.079 5.237 0.037 17 0 "[ . 1 . 2]" 1
706 1 24 LEU MD2 1 27 GLN HE21 4.500 . 5.200 4.323 3.291 5.207 0.007 10 0 "[ . 1 . 2]" 1
707 1 24 LEU MD2 1 27 GLN HG2 4.500 . 5.200 4.708 3.038 5.230 0.030 3 0 "[ . 1 . 2]" 1
708 1 24 LEU MD2 1 83 PRO HD3 4.500 . 5.200 2.333 2.015 2.939 . 0 0 "[ . 1 . 2]" 1
709 1 24 LEU MD2 1 83 PRO HD2 4.500 . 5.200 2.992 2.189 4.006 . 0 0 "[ . 1 . 2]" 1
710 1 24 LEU MD2 1 83 PRO HG2 4.500 . 5.200 2.646 2.101 3.517 . 0 0 "[ . 1 . 2]" 1
711 1 24 LEU H 1 24 LEU MD1 4.500 . 5.200 3.822 3.457 4.083 . 0 0 "[ . 1 . 2]" 1
712 1 24 LEU H 1 24 LEU MD2 4.500 . 5.200 2.736 1.982 3.639 0.018 5 0 "[ . 1 . 2]" 1
713 1 24 LEU H 1 25 ALA MB 4.500 . 5.200 4.283 4.184 4.345 . 0 0 "[ . 1 . 2]" 1
714 1 25 ALA HA 1 27 GLN H 4.500 . 5.200 4.442 4.220 4.581 . 0 0 "[ . 1 . 2]" 1
715 1 25 ALA HA 1 28 GLU HG2 4.500 . 5.200 4.846 4.088 5.397 0.197 18 0 "[ . 1 . 2]" 1
716 1 25 ALA HA 1 28 GLU H 4.500 . 5.200 3.626 3.448 3.815 . 0 0 "[ . 1 . 2]" 1
717 1 25 ALA MB 1 26 VAL HA 4.500 . 5.200 3.774 3.626 3.841 . 0 0 "[ . 1 . 2]" 1
718 1 25 ALA MB 1 26 VAL MG1 4.500 . 5.200 3.009 2.823 3.181 . 0 0 "[ . 1 . 2]" 1
719 1 25 ALA MB 1 28 GLU H 4.500 . 5.200 4.709 4.624 4.866 . 0 0 "[ . 1 . 2]" 1
720 1 25 ALA MB 1 29 ARG HB3 4.500 . 5.200 4.908 4.691 5.206 0.006 13 0 "[ . 1 . 2]" 1
721 1 25 ALA H 1 26 VAL MG1 4.500 . 5.200 4.387 4.168 4.516 . 0 0 "[ . 1 . 2]" 1
722 1 25 ALA H 1 26 VAL MG2 4.500 . 5.200 4.062 3.921 4.306 . 0 0 "[ . 1 . 2]" 1
723 1 26 VAL HA 1 28 GLU H 4.500 . 5.200 4.382 4.244 4.580 . 0 0 "[ . 1 . 2]" 1
724 1 26 VAL HA 1 29 ARG HB3 4.500 . 5.200 2.244 1.956 2.636 0.044 15 0 "[ . 1 . 2]" 1
725 1 26 VAL HA 1 30 LEU MD2 4.500 . 5.200 3.688 3.030 5.064 . 0 0 "[ . 1 . 2]" 1
726 1 26 VAL HA 1 30 LEU H 4.500 . 5.200 3.706 3.511 4.011 . 0 0 "[ . 1 . 2]" 1
727 1 26 VAL HB 1 30 LEU MD2 4.500 . 5.200 3.098 2.585 4.166 . 0 0 "[ . 1 . 2]" 1
728 1 26 VAL MG1 1 27 GLN H 4.500 . 5.200 3.859 3.709 3.994 . 0 0 "[ . 1 . 2]" 1
729 1 26 VAL MG1 1 43 LEU HB3 4.500 . 5.200 3.282 2.352 4.461 . 0 0 "[ . 1 . 2]" 1
730 1 26 VAL MG2 1 27 GLN H 4.500 . 5.200 2.095 1.995 2.284 0.005 1 0 "[ . 1 . 2]" 1
731 1 26 VAL MG2 1 28 GLU H 4.500 . 5.200 4.370 4.245 4.509 . 0 0 "[ . 1 . 2]" 1
732 1 26 VAL MG2 1 30 LEU HB3 5.500 . 6.000 5.949 5.496 6.186 0.186 3 0 "[ . 1 . 2]" 1
733 1 26 VAL H 1 28 GLU H 4.500 . 5.200 4.214 4.055 4.423 . 0 0 "[ . 1 . 2]" 1
734 1 27 GLN HA 1 27 GLN HG3 4.500 . 5.200 2.816 2.324 3.538 . 0 0 "[ . 1 . 2]" 1
735 1 27 GLN HA 1 27 GLN HG2 4.500 . 5.200 2.593 2.068 3.915 . 0 0 "[ . 1 . 2]" 1
736 1 27 GLN HA 1 29 ARG H 4.500 . 5.200 4.498 4.246 4.655 . 0 0 "[ . 1 . 2]" 1
737 1 27 GLN HA 1 30 LEU HB3 4.500 . 5.200 4.111 3.133 4.854 . 0 0 "[ . 1 . 2]" 1
738 1 27 GLN HA 1 30 LEU HB2 4.500 . 5.200 2.887 2.495 3.271 . 0 0 "[ . 1 . 2]" 1
739 1 27 GLN HA 1 30 LEU H 4.500 . 5.200 3.614 3.231 3.900 . 0 0 "[ . 1 . 2]" 1
740 1 27 GLN HB3 1 27 GLN HE21 4.500 . 5.200 3.986 2.180 4.459 . 0 0 "[ . 1 . 2]" 1
741 1 27 GLN HB3 1 27 GLN HE22 4.500 . 5.200 4.415 3.627 4.951 . 0 0 "[ . 1 . 2]" 1
742 1 27 GLN HB2 1 27 GLN HE21 4.500 . 5.200 3.973 2.507 4.634 . 0 0 "[ . 1 . 2]" 1
743 1 27 GLN HE21 1 80 VAL HB 4.500 . 5.200 4.388 3.122 5.366 0.166 6 0 "[ . 1 . 2]" 1
744 1 27 GLN HE21 1 80 VAL MG1 4.500 . 5.200 3.053 2.117 3.652 . 0 0 "[ . 1 . 2]" 1
745 1 27 GLN HE21 1 82 GLU HA 4.500 . 5.200 2.821 1.979 3.562 0.021 9 0 "[ . 1 . 2]" 1
746 1 27 GLN HE21 1 83 PRO HD2 4.500 . 5.200 5.071 4.755 5.304 0.104 12 0 "[ . 1 . 2]" 1
747 1 27 GLN HG3 1 80 VAL MG2 4.500 . 5.200 4.975 3.705 5.459 0.259 11 0 "[ . 1 . 2]" 1
748 1 27 GLN HG2 1 80 VAL MG1 4.500 . 5.200 2.428 1.898 4.543 0.102 8 0 "[ . 1 . 2]" 1
749 1 28 GLU H 1 28 GLU HB2 4.500 . 5.200 2.426 2.365 2.492 . 0 0 "[ . 1 . 2]" 1
750 1 28 GLU H 1 29 ARG HB3 4.500 . 5.200 4.872 4.709 5.105 . 0 0 "[ . 1 . 2]" 1
751 1 28 GLU H 1 30 LEU H 4.500 . 5.200 4.061 3.945 4.247 . 0 0 "[ . 1 . 2]" 1
752 1 28 GLU H 1 80 VAL MG2 5.500 . 6.200 6.227 5.832 6.376 0.176 5 0 "[ . 1 . 2]" 1
753 1 29 ARG HA 1 29 ARG HD3 4.500 . 5.200 4.460 3.448 4.782 . 0 0 "[ . 1 . 2]" 1
754 1 29 ARG HA 1 29 ARG HD2 4.500 . 5.200 4.050 2.018 4.634 . 0 0 "[ . 1 . 2]" 1
755 1 29 ARG HA 1 29 ARG QD 4.500 . 5.200 3.719 2.005 4.191 . 0 0 "[ . 1 . 2]" 1
756 1 29 ARG HB2 1 32 ALA MB 4.500 . 5.200 4.585 4.198 5.102 . 0 0 "[ . 1 . 2]" 1
757 1 29 ARG H 1 30 LEU H 4.500 . 5.200 2.670 2.572 2.791 . 0 0 "[ . 1 . 2]" 1
758 1 30 LEU HA 1 30 LEU MD2 4.500 . 5.200 2.185 1.989 2.559 0.011 15 0 "[ . 1 . 2]" 1
759 1 30 LEU HA 1 39 LEU HG 4.500 . 5.200 4.276 3.399 5.016 . 0 0 "[ . 1 . 2]" 1
760 1 30 LEU HB3 1 30 LEU MD1 4.500 . 5.200 2.335 2.156 2.547 . 0 0 "[ . 1 . 2]" 1
761 1 30 LEU HB3 1 31 LYS HD3 4.500 . 5.200 3.321 2.685 4.194 . 0 0 "[ . 1 . 2]" 1
762 1 30 LEU HB3 1 31 LYS HD2 4.500 . 5.200 4.768 2.622 5.256 0.056 3 0 "[ . 1 . 2]" 1
763 1 30 LEU HB3 1 80 VAL MG1 4.500 . 5.200 3.763 3.329 4.369 . 0 0 "[ . 1 . 2]" 1
764 1 30 LEU HB3 1 80 VAL MG2 4.500 . 5.200 2.481 2.021 3.482 . 0 0 "[ . 1 . 2]" 1
765 1 30 LEU HB2 1 80 VAL MG2 4.500 . 5.200 2.967 2.237 3.741 . 0 0 "[ . 1 . 2]" 1
766 1 30 LEU MD1 1 31 LYS HD3 4.500 . 5.200 4.795 3.533 5.292 0.092 9 0 "[ . 1 . 2]" 1
767 1 30 LEU MD1 1 31 LYS HG2 5.500 3.000 6.200 5.724 4.836 6.037 . 0 0 "[ . 1 . 2]" 1
768 1 30 LEU MD1 1 31 LYS H 4.500 . 5.200 4.389 3.583 4.752 . 0 0 "[ . 1 . 2]" 1
769 1 30 LEU MD1 1 35 LYS HA 4.500 . 5.200 3.893 3.078 4.580 . 0 0 "[ . 1 . 2]" 1
770 1 30 LEU MD1 1 35 LYS H 5.500 . 6.000 4.977 4.240 5.394 . 0 0 "[ . 1 . 2]" 1
771 1 30 LEU MD1 1 36 PHE HB3 4.500 . 5.200 4.010 3.343 5.233 0.033 12 0 "[ . 1 . 2]" 1
772 1 30 LEU MD1 1 36 PHE HB2 4.500 . 5.200 2.600 1.962 3.786 0.038 13 0 "[ . 1 . 2]" 1
773 1 30 LEU MD2 1 36 PHE HA 4.500 . 5.200 2.398 1.952 3.483 0.048 17 0 "[ . 1 . 2]" 1
774 1 30 LEU MD2 1 39 LEU HA 4.500 . 5.200 4.834 4.428 5.252 0.052 15 0 "[ . 1 . 2]" 1
775 1 30 LEU MD2 1 39 LEU HB3 4.500 . 5.200 3.449 3.048 4.047 . 0 0 "[ . 1 . 2]" 1
776 1 30 LEU MD2 1 39 LEU MD1 4.500 . 5.200 3.223 1.832 4.070 0.168 10 0 "[ . 1 . 2]" 1
777 1 30 LEU MD2 1 39 LEU H 4.500 . 5.200 4.074 3.644 5.080 . 0 0 "[ . 1 . 2]" 1
778 1 30 LEU MD2 1 80 VAL MG1 4.500 . 5.200 3.858 2.876 4.341 . 0 0 "[ . 1 . 2]" 1
779 1 30 LEU HG 1 80 VAL MG1 4.500 . 5.200 3.201 2.619 3.887 . 0 0 "[ . 1 . 2]" 1
780 1 30 LEU HG 1 94 LYS HB3 4.500 . 5.200 5.046 4.664 5.369 0.169 1 0 "[ . 1 . 2]" 1
781 1 30 LEU H 1 30 LEU MD1 5.500 . 6.000 4.069 3.815 4.215 . 0 0 "[ . 1 . 2]" 1
782 1 30 LEU H 1 31 LYS HD2 5.500 . 6.000 6.111 4.150 6.447 0.447 14 0 "[ . 1 . 2]" 1
783 1 30 LEU H 1 31 LYS H 4.500 . 5.200 2.583 2.443 2.671 . 0 0 "[ . 1 . 2]" 1
784 1 31 LYS HA 1 31 LYS HD2 4.500 . 5.200 2.604 2.003 3.650 . 0 0 "[ . 1 . 2]" 1
785 1 31 LYS HA 1 31 LYS HG3 4.500 . 5.200 3.604 2.031 3.923 . 0 0 "[ . 1 . 2]" 1
786 1 31 LYS HA 1 31 LYS HG2 4.500 . 5.200 3.322 3.160 3.446 . 0 0 "[ . 1 . 2]" 1
787 1 31 LYS HA 1 32 ALA HA 4.500 . 5.200 4.799 4.655 4.888 . 0 0 "[ . 1 . 2]" 1
788 1 31 LYS HB3 1 31 LYS QE 4.500 . 5.200 4.056 3.690 4.581 . 0 0 "[ . 1 . 2]" 1
789 1 31 LYS HB3 1 32 ALA H 4.500 . 5.200 4.025 3.779 4.361 . 0 0 "[ . 1 . 2]" 1
790 1 31 LYS HD3 1 80 VAL MG2 4.500 . 5.200 3.331 2.498 4.449 . 0 0 "[ . 1 . 2]" 1
791 1 31 LYS QE 1 80 VAL MG2 4.500 . 5.200 3.146 1.992 3.919 0.008 16 0 "[ . 1 . 2]" 1
792 1 31 LYS H 1 31 LYS QE 4.500 . 5.200 4.088 3.432 4.814 . 0 0 "[ . 1 . 2]" 1
793 1 31 LYS H 1 31 LYS HG2 4.500 . 5.200 2.226 1.821 4.372 0.179 8 0 "[ . 1 . 2]" 1
794 1 32 ALA MB 1 33 GLY HA2 4.500 . 5.200 4.691 4.576 4.836 . 0 0 "[ . 1 . 2]" 1
795 1 32 ALA MB 1 34 GLU HG3 4.500 . 5.200 2.440 2.079 3.236 . 0 0 "[ . 1 . 2]" 1
796 1 33 GLY H 1 34 GLU HG3 4.500 . 5.200 4.503 4.054 5.278 0.078 8 0 "[ . 1 . 2]" 1
797 1 34 GLU HA 1 34 GLU HG2 4.500 . 5.200 2.374 2.186 2.802 . 0 0 "[ . 1 . 2]" 1
798 1 34 GLU HA 1 39 LEU MD2 4.500 . 5.200 4.491 4.167 4.923 . 0 0 "[ . 1 . 2]" 1
799 1 34 GLU HB3 1 39 LEU MD2 4.500 . 5.200 2.639 2.108 3.120 . 0 0 "[ . 1 . 2]" 1
800 1 34 GLU HB2 1 38 LYS QE 5.500 . 6.000 5.744 4.808 6.180 0.180 10 0 "[ . 1 . 2]" 1
801 1 34 GLU HG3 1 35 LYS H 4.500 . 5.200 4.995 4.816 5.243 0.043 8 0 "[ . 1 . 2]" 1
802 1 34 GLU HG3 1 39 LEU MD2 4.500 . 5.200 4.124 3.304 4.789 . 0 0 "[ . 1 . 2]" 1
803 1 34 GLU HG2 1 35 LYS H 4.500 . 5.200 4.148 3.833 4.821 . 0 0 "[ . 1 . 2]" 1
804 1 34 GLU HG2 1 39 LEU MD2 4.500 . 5.200 4.585 3.953 4.964 . 0 0 "[ . 1 . 2]" 1
805 1 34 GLU H 1 34 GLU HB2 4.500 . 5.200 2.485 2.346 2.746 . 0 0 "[ . 1 . 2]" 1
806 1 34 GLU H 1 34 GLU HG2 4.500 . 5.200 3.186 2.358 3.634 . 0 0 "[ . 1 . 2]" 1
807 1 34 GLU H 1 35 LYS H 4.500 . 5.200 4.589 4.526 4.624 . 0 0 "[ . 1 . 2]" 1
808 1 34 GLU H 1 39 LEU MD2 4.500 . 5.200 4.541 4.165 5.051 . 0 0 "[ . 1 . 2]" 1
809 1 35 LYS HA 1 35 LYS HG3 4.500 . 5.200 2.542 2.290 3.242 . 0 0 "[ . 1 . 2]" 1
810 1 35 LYS HA 1 35 LYS HG2 4.500 . 5.200 2.794 2.275 3.784 . 0 0 "[ . 1 . 2]" 1
811 1 35 LYS HA 1 36 PHE HA 4.500 . 5.200 4.356 4.203 4.459 . 0 0 "[ . 1 . 2]" 1
812 1 35 LYS HB3 1 37 GLY H 4.500 . 5.200 3.427 2.590 4.284 . 0 0 "[ . 1 . 2]" 1
813 1 35 LYS HB2 1 37 GLY H 4.500 . 5.200 4.582 3.971 5.063 . 0 0 "[ . 1 . 2]" 1
814 1 35 LYS QG 1 36 PHE HB2 4.500 . 5.200 4.860 4.138 5.477 0.277 18 0 "[ . 1 . 2]" 1
815 1 35 LYS H 1 38 LYS H 4.500 . 5.200 4.368 4.113 4.650 . 0 0 "[ . 1 . 2]" 1
816 1 35 LYS H 1 39 LEU MD2 4.500 . 5.200 3.955 3.601 4.394 . 0 0 "[ . 1 . 2]" 1
817 1 36 PHE HA 1 36 PHE QD 4.500 . 5.200 2.825 2.730 2.901 . 0 0 "[ . 1 . 2]" 1
818 1 36 PHE HA 1 39 LEU HB3 4.500 . 5.200 4.391 4.212 4.614 . 0 0 "[ . 1 . 2]" 1
819 1 36 PHE HA 1 39 LEU HB2 4.500 . 5.200 2.775 2.616 2.999 . 0 0 "[ . 1 . 2]" 1
820 1 36 PHE HA 1 39 LEU MD2 4.500 . 5.200 3.514 2.858 4.423 . 0 0 "[ . 1 . 2]" 1
821 1 36 PHE HA 1 39 LEU H 4.500 . 5.200 3.495 3.405 3.655 . 0 0 "[ . 1 . 2]" 1
822 1 36 PHE HA 1 40 ALA H 4.500 . 5.200 4.128 4.008 4.233 . 0 0 "[ . 1 . 2]" 1
823 1 36 PHE HB3 1 37 GLY H 4.500 . 5.200 2.398 2.293 2.484 . 0 0 "[ . 1 . 2]" 1
824 1 36 PHE QD 1 37 GLY HA3 5.500 . 6.000 4.343 4.167 4.551 . 0 0 "[ . 1 . 2]" 1
825 1 36 PHE QD 1 40 ALA MB 4.500 . 5.200 3.147 2.848 3.599 . 0 0 "[ . 1 . 2]" 1
826 1 37 GLY HA3 1 40 ALA MB 4.500 . 5.200 3.492 3.371 3.663 . 0 0 "[ . 1 . 2]" 1
827 1 37 GLY HA3 1 53 ASP HA 4.500 . 5.200 3.761 3.107 4.546 . 0 0 "[ . 1 . 2]" 1
828 1 37 GLY HA2 1 40 ALA MB 4.500 . 5.200 2.088 1.979 2.291 0.021 6 0 "[ . 1 . 2]" 1
829 1 37 GLY H 1 40 ALA MB 4.500 . 5.200 4.225 4.063 4.469 . 0 0 "[ . 1 . 2]" 1
830 1 38 LYS HA 1 38 LYS QD 4.500 . 5.200 3.954 3.655 4.015 . 0 0 "[ . 1 . 2]" 1
831 1 38 LYS HA 1 40 ALA H 4.500 . 5.200 4.341 4.229 4.419 . 0 0 "[ . 1 . 2]" 1
832 1 38 LYS HA 1 41 LYS QG 4.500 . 5.200 3.760 2.353 5.219 0.019 18 0 "[ . 1 . 2]" 1
833 1 38 LYS HA 1 41 LYS H 4.500 . 5.200 3.571 3.377 3.854 . 0 0 "[ . 1 . 2]" 1
834 1 38 LYS HB3 1 39 LEU H 4.500 . 5.200 2.434 2.327 2.578 . 0 0 "[ . 1 . 2]" 1
835 1 38 LYS HB2 1 39 LEU H 4.500 . 5.200 3.737 3.490 3.847 . 0 0 "[ . 1 . 2]" 1
836 1 38 LYS QB 1 38 LYS QE 4.500 . 5.200 3.624 3.520 3.783 . 0 0 "[ . 1 . 2]" 1
837 1 38 LYS QD 1 39 LEU MD2 4.500 . 5.200 3.145 2.102 3.517 . 0 0 "[ . 1 . 2]" 1
838 1 38 LYS QD 1 39 LEU H 4.500 . 5.200 4.323 3.208 4.599 . 0 0 "[ . 1 . 2]" 1
839 1 38 LYS QG 1 39 LEU MD2 4.500 . 5.200 2.949 2.425 3.828 . 0 0 "[ . 1 . 2]" 1
840 1 38 LYS H 1 39 LEU MD2 4.500 . 5.200 3.907 3.642 4.400 . 0 0 "[ . 1 . 2]" 1
841 1 38 LYS H 1 39 LEU H 4.500 . 5.200 2.622 2.590 2.656 . 0 0 "[ . 1 . 2]" 1
842 1 38 LYS H 1 40 ALA H 4.500 . 5.200 3.794 3.712 3.884 . 0 0 "[ . 1 . 2]" 1
843 1 39 LEU HA 1 39 LEU MD1 4.500 . 5.200 2.263 1.992 3.384 0.008 1 0 "[ . 1 . 2]" 1
844 1 39 LEU HA 1 42 GLU HB3 4.500 . 5.200 3.531 2.125 3.924 . 0 0 "[ . 1 . 2]" 1
845 1 39 LEU HA 1 42 GLU H 4.500 . 5.200 3.285 2.910 3.665 . 0 0 "[ . 1 . 2]" 1
846 1 39 LEU HB3 1 40 ALA MB 4.500 . 5.200 4.599 4.473 4.911 . 0 0 "[ . 1 . 2]" 1
847 1 39 LEU HB2 1 39 LEU MD2 4.500 . 5.200 2.574 2.392 3.159 . 0 0 "[ . 1 . 2]" 1
848 1 39 LEU HB2 1 40 ALA MB 4.500 . 5.200 4.160 4.016 4.291 . 0 0 "[ . 1 . 2]" 1
849 1 39 LEU MD1 1 43 LEU MD2 4.500 . 5.200 3.680 2.305 5.208 0.008 2 0 "[ . 1 . 2]" 1
850 1 39 LEU MD2 1 40 ALA H 4.500 . 5.200 4.048 3.922 4.275 . 0 0 "[ . 1 . 2]" 1
851 1 39 LEU MD2 1 42 GLU HB3 4.500 . 5.200 4.613 3.472 5.271 0.071 6 0 "[ . 1 . 2]" 1
852 1 39 LEU H 1 39 LEU HB2 4.500 . 5.200 2.335 2.248 2.489 . 0 0 "[ . 1 . 2]" 1
853 1 39 LEU H 1 39 LEU MD1 4.500 . 5.200 3.873 3.648 4.147 . 0 0 "[ . 1 . 2]" 1
854 1 39 LEU H 1 39 LEU MD2 4.500 . 5.200 2.104 1.955 2.466 0.045 4 0 "[ . 1 . 2]" 1
855 1 39 LEU H 1 40 ALA MB 4.500 . 5.200 4.273 4.218 4.359 . 0 0 "[ . 1 . 2]" 1
856 1 39 LEU H 1 42 GLU HB3 5.500 . 6.000 6.049 4.801 6.269 0.269 12 0 "[ . 1 . 2]" 1
857 1 3 MET HA 1 4 GLY QA 4.500 . 5.200 3.974 3.881 4.039 . 0 0 "[ . 1 . 2]" 1
858 1 40 ALA HA 1 44 SER HB2 4.500 . 5.200 3.510 2.087 3.913 . 0 0 "[ . 1 . 2]" 1
859 1 40 ALA MB 1 41 LYS HA 4.500 . 5.200 3.818 3.736 3.880 . 0 0 "[ . 1 . 2]" 1
860 1 40 ALA MB 1 44 SER HB2 4.500 . 5.200 3.839 3.149 4.227 . 0 0 "[ . 1 . 2]" 1
861 1 40 ALA MB 1 50 ALA HA 4.500 . 5.200 2.874 2.476 3.363 . 0 0 "[ . 1 . 2]" 1
862 1 40 ALA MB 1 53 ASP HA 4.500 . 5.200 2.183 1.971 2.518 0.029 6 0 "[ . 1 . 2]" 1
863 1 40 ALA MB 1 53 ASP HB2 4.500 . 5.200 3.901 2.957 4.249 . 0 0 "[ . 1 . 2]" 1
864 1 40 ALA MB 1 54 GLY HA3 4.500 . 5.200 2.367 2.079 2.666 . 0 0 "[ . 1 . 2]" 1
865 1 40 ALA MB 1 54 GLY HA2 4.500 . 5.200 3.058 2.509 3.674 . 0 0 "[ . 1 . 2]" 1
866 1 40 ALA MB 1 54 GLY H 4.500 . 5.200 2.771 2.354 3.341 . 0 0 "[ . 1 . 2]" 1
867 1 40 ALA H 1 41 LYS H 4.500 . 5.200 2.741 2.630 2.844 . 0 0 "[ . 1 . 2]" 1
868 1 40 ALA H 1 53 ASP HA 4.500 . 5.200 4.738 4.204 5.277 0.077 18 0 "[ . 1 . 2]" 1
869 1 41 LYS QB 1 41 LYS QE 4.500 . 5.200 3.462 2.206 3.862 . 0 0 "[ . 1 . 2]" 1
870 1 41 LYS QB 1 50 ALA MB 4.500 . 5.200 4.147 3.234 4.993 . 0 0 "[ . 1 . 2]" 1
871 1 41 LYS H 1 41 LYS QD 4.500 . 5.200 3.817 2.522 4.503 . 0 0 "[ . 1 . 2]" 1
872 1 41 LYS H 1 43 LEU H 4.500 . 5.200 4.556 4.229 5.156 . 0 0 "[ . 1 . 2]" 1
873 1 41 LYS H 1 44 SER HB2 5.500 . 6.000 5.571 5.052 6.244 0.244 12 0 "[ . 1 . 2]" 1
874 1 42 GLU H 1 42 GLU QG 4.500 . 5.200 2.749 2.255 4.014 . 0 0 "[ . 1 . 2]" 1
875 1 43 LEU HB3 1 44 SER H 4.500 . 5.200 3.364 2.136 4.628 . 0 0 "[ . 1 . 2]" 1
876 1 43 LEU HB2 1 44 SER H 4.500 . 5.200 3.338 1.992 4.449 0.008 17 0 "[ . 1 . 2]" 1
877 1 43 LEU MD1 1 44 SER H 4.500 . 5.200 3.224 1.919 4.596 0.081 3 0 "[ . 1 . 2]" 1
878 1 43 LEU H 1 43 LEU HB3 4.500 . 5.200 3.162 2.296 3.734 . 0 0 "[ . 1 . 2]" 1
879 1 43 LEU H 1 44 SER HB2 5.500 . 6.000 5.001 4.486 5.656 . 0 0 "[ . 1 . 2]" 1
880 1 44 SER HA 1 45 ILE HG13 5.500 . 6.000 5.040 4.913 5.191 . 0 0 "[ . 1 . 2]" 1
881 1 44 SER HA 1 45 ILE MG 4.500 . 5.200 3.715 3.486 3.911 . 0 0 "[ . 1 . 2]" 1
882 1 44 SER HB2 1 45 ILE H 4.500 . 5.200 3.852 3.202 4.325 . 0 0 "[ . 1 . 2]" 1
883 1 44 SER H 1 45 ILE H 4.500 . 5.200 4.538 4.273 4.629 . 0 0 "[ . 1 . 2]" 1
884 1 45 ILE HA 1 45 ILE MD 4.500 . 5.200 4.130 4.106 4.147 . 0 0 "[ . 1 . 2]" 1
885 1 45 ILE H 1 45 ILE HB 4.500 . 5.200 3.673 3.622 3.722 . 0 0 "[ . 1 . 2]" 1
886 1 48 GLY QA 1 50 ALA H 4.500 . 5.200 3.848 3.750 3.978 . 0 0 "[ . 1 . 2]" 1
887 1 49 SER HA 1 51 LYS H 4.500 . 5.200 4.144 3.796 4.641 . 0 0 "[ . 1 . 2]" 1
888 1 50 ALA MB 1 51 LYS QD 4.500 . 5.200 3.857 2.484 5.005 . 0 0 "[ . 1 . 2]" 1
889 1 50 ALA MB 1 54 GLY H 4.500 . 5.200 4.613 4.206 5.144 . 0 0 "[ . 1 . 2]" 1
890 1 50 ALA H 1 50 ALA MB 4.500 . 5.200 2.245 2.219 2.291 . 0 0 "[ . 1 . 2]" 1
891 1 50 ALA H 1 51 LYS H 4.500 . 5.200 2.497 2.398 2.539 . 0 0 "[ . 1 . 2]" 1
892 1 50 ALA H 1 52 ARG H 4.500 . 5.200 3.895 3.652 4.174 . 0 0 "[ . 1 . 2]" 1
893 1 51 LYS HA 1 51 LYS HE3 4.500 . 5.200 4.489 3.990 5.566 0.366 20 0 "[ . 1 . 2]" 1
894 1 51 LYS HA 1 51 LYS HE2 4.500 . 5.200 4.520 3.910 5.314 0.114 20 0 "[ . 1 . 2]" 1
895 1 51 LYS HA 1 51 LYS QE 4.500 . 5.200 3.972 3.708 4.837 . 0 0 "[ . 1 . 2]" 1
896 1 52 ARG HA 1 52 ARG QD 4.500 . 5.200 3.685 1.935 4.160 0.065 16 0 "[ . 1 . 2]" 1
897 1 52 ARG HB3 1 54 GLY H 4.500 . 5.200 4.241 3.795 4.608 . 0 0 "[ . 1 . 2]" 1
898 1 52 ARG HB3 1 55 SER H 4.500 . 5.200 3.569 2.980 4.439 . 0 0 "[ . 1 . 2]" 1
899 1 52 ARG HB2 1 55 SER QB 4.500 . 5.200 4.309 3.368 5.036 . 0 0 "[ . 1 . 2]" 1
900 1 52 ARG HB2 1 55 SER H 4.500 . 5.200 3.806 3.172 4.712 . 0 0 "[ . 1 . 2]" 1
901 1 52 ARG H 1 52 ARG HB3 4.500 . 5.200 3.635 3.567 3.735 . 0 0 "[ . 1 . 2]" 1
902 1 52 ARG H 1 52 ARG QD 4.500 . 5.200 4.176 3.742 4.627 . 0 0 "[ . 1 . 2]" 1
903 1 52 ARG H 1 53 ASP HA 4.500 . 5.200 4.600 4.306 4.854 . 0 0 "[ . 1 . 2]" 1
904 1 52 ARG H 1 53 ASP H 4.500 . 5.200 2.514 2.223 2.695 . 0 0 "[ . 1 . 2]" 1
905 1 52 ARG H 1 54 GLY H 4.500 . 5.200 3.284 2.847 3.608 . 0 0 "[ . 1 . 2]" 1
906 1 53 ASP HB3 1 55 SER QB 4.500 . 5.200 4.956 3.884 5.312 0.112 8 0 "[ . 1 . 2]" 1
907 1 53 ASP HB3 1 55 SER H 4.500 . 5.200 3.990 3.273 4.656 . 0 0 "[ . 1 . 2]" 1
908 1 54 GLY HA3 1 56 LEU MD2 4.500 . 5.200 5.181 5.014 5.302 0.102 20 0 "[ . 1 . 2]" 1
909 1 54 GLY H 1 55 SER H 4.500 . 5.200 2.828 2.611 3.239 . 0 0 "[ . 1 . 2]" 1
910 1 55 SER HA 1 56 LEU MD2 4.500 . 5.200 4.968 4.526 5.225 0.025 12 0 "[ . 1 . 2]" 1
911 1 55 SER HA 1 96 LEU MD1 4.500 . 5.200 4.465 3.373 5.109 . 0 0 "[ . 1 . 2]" 1
912 1 55 SER QB 1 96 LEU MD1 4.500 . 5.200 3.699 2.370 4.460 . 0 0 "[ . 1 . 2]" 1
913 1 55 SER H 1 56 LEU MD2 4.500 . 5.200 5.166 4.833 5.346 0.146 17 0 "[ . 1 . 2]" 1
914 1 56 LEU HA 1 56 LEU MD1 4.500 . 5.200 3.801 3.776 3.846 . 0 0 "[ . 1 . 2]" 1
915 1 56 LEU HB3 1 56 LEU MD2 4.500 . 5.200 2.282 2.198 2.381 . 0 0 "[ . 1 . 2]" 1
916 1 56 LEU HB2 1 56 LEU MD1 4.500 . 5.200 2.329 2.218 2.416 . 0 0 "[ . 1 . 2]" 1
917 1 56 LEU HB2 1 57 GLY H 4.500 . 5.200 2.587 2.465 2.877 . 0 0 "[ . 1 . 2]" 1
918 1 56 LEU HG 1 57 GLY H 4.500 . 5.200 4.233 4.139 4.364 . 0 0 "[ . 1 . 2]" 1
919 1 56 LEU H 1 56 LEU MD1 4.500 . 5.200 3.514 3.353 3.826 . 0 0 "[ . 1 . 2]" 1
920 1 56 LEU H 1 56 LEU MD2 4.500 . 5.200 3.412 3.285 3.699 . 0 0 "[ . 1 . 2]" 1
921 1 56 LEU H 1 56 LEU HG 4.500 . 5.200 2.235 2.148 2.687 . 0 0 "[ . 1 . 2]" 1
922 1 56 LEU H 1 57 GLY H 4.500 . 5.200 2.490 1.930 2.653 0.070 15 0 "[ . 1 . 2]" 1
923 1 56 LEU H 1 96 LEU MD2 4.500 . 5.200 4.224 3.564 4.793 . 0 0 "[ . 1 . 2]" 1
924 1 57 GLY H 1 58 TYR H 4.500 . 5.200 4.540 4.476 4.602 . 0 0 "[ . 1 . 2]" 1
925 1 58 TYR HA 1 58 TYR QD 4.500 . 5.200 3.262 2.671 3.681 . 0 0 "[ . 1 . 2]" 1
926 1 58 TYR HB2 1 59 PHE H 4.500 . 5.200 3.723 3.004 4.123 . 0 0 "[ . 1 . 2]" 1
927 1 58 TYR H 1 58 TYR QE 4.500 . 5.200 3.828 3.458 4.271 . 0 0 "[ . 1 . 2]" 1
928 1 58 TYR H 1 59 PHE H 4.500 . 5.200 4.511 4.277 4.559 . 0 0 "[ . 1 . 2]" 1
929 1 59 PHE HB3 1 64 MET ME 4.500 . 5.200 3.355 2.584 4.067 . 0 0 "[ . 1 . 2]" 1
930 1 59 PHE HB2 1 60 GLY HA2 5.500 . 6.000 4.767 4.646 4.874 . 0 0 "[ . 1 . 2]" 1
931 1 59 PHE HB2 1 64 MET ME 4.500 . 5.200 3.275 2.007 4.077 . 0 0 "[ . 1 . 2]" 1
932 1 59 PHE QD 1 64 MET ME 4.500 . 5.200 2.775 2.100 3.494 . 0 0 "[ . 1 . 2]" 1
933 1 59 PHE H 1 59 PHE QD 4.500 . 5.200 2.992 2.616 3.185 . 0 0 "[ . 1 . 2]" 1
934 1 59 PHE H 1 60 GLY H 4.500 . 5.200 4.353 4.297 4.451 . 0 0 "[ . 1 . 2]" 1
935 1 60 GLY H 1 61 ARG H 4.500 . 5.200 4.495 4.382 4.602 . 0 0 "[ . 1 . 2]" 1
936 1 61 ARG HA 1 61 ARG QD 4.500 . 5.200 4.046 3.737 4.223 . 0 0 "[ . 1 . 2]" 1
937 1 61 ARG HB3 1 61 ARG HD3 4.500 . 5.200 3.346 2.665 3.735 . 0 0 "[ . 1 . 2]" 1
938 1 61 ARG HB3 1 61 ARG HD2 4.500 . 5.200 3.105 2.397 3.817 . 0 0 "[ . 1 . 2]" 1
939 1 61 ARG H 1 61 ARG QD 4.500 . 5.200 3.894 1.917 4.368 0.083 4 0 "[ . 1 . 2]" 1
940 1 61 ARG H 1 62 GLY H 4.500 . 5.200 4.555 4.502 4.602 . 0 0 "[ . 1 . 2]" 1
941 1 61 ARG H 1 62 GLY QA 4.500 . 5.200 5.091 5.002 5.222 0.022 1 0 "[ . 1 . 2]" 1
942 1 62 GLY H 1 63 LYS H 4.500 . 5.200 2.910 2.392 3.579 . 0 0 "[ . 1 . 2]" 1
943 1 62 GLY QA 1 64 MET H 4.500 . 5.200 3.902 3.535 4.096 . 0 0 "[ . 1 . 2]" 1
944 1 63 LYS HA 1 64 MET HA 4.500 . 5.200 4.618 4.516 4.851 . 0 0 "[ . 1 . 2]" 1
945 1 63 LYS QB 1 63 LYS QE 4.500 . 5.200 3.538 1.944 3.909 0.056 20 0 "[ . 1 . 2]" 1
946 1 63 LYS H 1 63 LYS HB3 4.500 . 5.200 3.284 2.521 3.852 . 0 0 "[ . 1 . 2]" 1
947 1 63 LYS H 1 63 LYS HB2 4.500 . 5.200 2.458 2.198 2.728 . 0 0 "[ . 1 . 2]" 1
948 1 63 LYS H 1 64 MET H 4.500 . 5.200 2.520 1.832 2.772 0.168 1 0 "[ . 1 . 2]" 1
949 1 64 MET HA 1 65 VAL MG1 4.500 . 5.200 3.648 3.475 3.831 . 0 0 "[ . 1 . 2]" 1
950 1 64 MET HA 1 69 GLU QG 4.500 . 5.200 4.399 4.145 4.962 . 0 0 "[ . 1 . 2]" 1
951 1 64 MET HB2 1 64 MET ME 4.500 . 5.200 3.271 2.090 4.038 . 0 0 "[ . 1 . 2]" 1
952 1 64 MET HB2 1 65 VAL MG1 4.500 . 5.200 5.226 4.926 5.362 0.162 5 0 "[ . 1 . 2]" 1
953 1 64 MET HB2 1 65 VAL MG2 4.500 . 5.200 4.432 3.774 4.996 . 0 0 "[ . 1 . 2]" 1
954 1 64 MET HB2 1 68 PHE HB3 4.500 . 5.200 3.072 2.178 4.062 . 0 0 "[ . 1 . 2]" 1
955 1 64 MET HB2 1 68 PHE QD 4.500 . 5.200 2.786 2.138 4.402 . 0 0 "[ . 1 . 2]" 1
956 1 64 MET HB2 1 69 GLU QG 4.500 . 5.200 2.185 1.887 3.378 0.113 19 0 "[ . 1 . 2]" 1
957 1 64 MET ME 1 68 PHE QD 4.500 . 5.200 2.957 2.288 3.583 . 0 0 "[ . 1 . 2]" 1
958 1 64 MET H 1 64 MET HB2 4.500 . 5.200 2.689 2.415 3.104 . 0 0 "[ . 1 . 2]" 1
959 1 65 VAL HA 1 67 PRO HD3 4.500 . 5.200 4.994 4.575 5.266 0.066 3 0 "[ . 1 . 2]" 1
960 1 65 VAL HB 1 67 PRO HD3 4.500 . 5.200 3.811 3.327 4.321 . 0 0 "[ . 1 . 2]" 1
961 1 65 VAL HB 1 68 PHE H 4.500 . 5.200 3.897 3.644 4.047 . 0 0 "[ . 1 . 2]" 1
962 1 65 VAL MG1 1 67 PRO HD3 5.500 . 6.000 5.242 4.837 5.672 . 0 0 "[ . 1 . 2]" 1
963 1 65 VAL MG1 1 68 PHE HB2 4.500 . 5.200 4.210 4.033 4.363 . 0 0 "[ . 1 . 2]" 1
964 1 65 VAL MG1 1 86 SER HB3 4.500 . 5.200 4.186 3.035 5.015 . 0 0 "[ . 1 . 2]" 1
965 1 65 VAL MG1 1 86 SER HB2 4.500 . 5.200 3.006 1.971 3.837 0.029 1 0 "[ . 1 . 2]" 1
966 1 65 VAL MG1 1 86 SER QB 4.500 . 5.200 2.939 1.947 3.722 0.053 1 0 "[ . 1 . 2]" 1
967 1 65 VAL MG1 1 87 GLU HG3 5.500 . 6.000 4.368 2.600 6.248 0.248 12 0 "[ . 1 . 2]" 1
968 1 65 VAL MG2 1 67 PRO HA 4.500 . 5.200 4.731 4.470 5.019 . 0 0 "[ . 1 . 2]" 1
969 1 65 VAL MG2 1 67 PRO HG2 4.500 . 5.200 2.566 1.992 3.269 0.008 1 0 "[ . 1 . 2]" 1
970 1 65 VAL MG2 1 68 PHE HA 4.500 . 5.200 3.671 3.546 3.783 . 0 0 "[ . 1 . 2]" 1
971 1 65 VAL MG2 1 68 PHE HB3 4.500 . 5.200 2.448 2.175 2.655 . 0 0 "[ . 1 . 2]" 1
972 1 65 VAL MG2 1 68 PHE HB2 4.500 . 5.200 1.935 1.856 2.034 0.144 10 0 "[ . 1 . 2]" 1
973 1 65 VAL MG2 1 84 VAL MG2 5.500 . 6.000 5.307 4.665 5.930 . 0 0 "[ . 1 . 2]" 1
974 1 65 VAL MG2 1 86 SER HB3 4.500 . 5.200 2.720 2.029 3.124 . 0 0 "[ . 1 . 2]" 1
975 1 65 VAL MG2 1 86 SER HB2 4.500 . 5.200 2.432 2.049 2.983 . 0 0 "[ . 1 . 2]" 1
976 1 66 LYS HA 1 70 ASP H 4.500 . 5.200 3.793 3.462 4.036 . 0 0 "[ . 1 . 2]" 1
977 1 66 LYS H 1 66 LYS HB2 4.500 . 5.200 2.459 2.159 2.792 . 0 0 "[ . 1 . 2]" 1
978 1 66 LYS H 1 66 LYS QD 4.500 . 5.200 3.931 1.840 4.711 0.160 19 0 "[ . 1 . 2]" 1
979 1 67 PRO HA 1 71 ALA MB 4.500 . 5.200 4.721 4.233 5.032 . 0 0 "[ . 1 . 2]" 1
980 1 67 PRO HA 1 84 VAL MG1 4.500 . 5.200 3.865 3.225 4.591 . 0 0 "[ . 1 . 2]" 1
981 1 67 PRO HB3 1 68 PHE H 4.500 . 5.200 3.965 3.743 4.161 . 0 0 "[ . 1 . 2]" 1
982 1 67 PRO HB2 1 68 PHE H 4.500 . 5.200 2.849 2.313 3.326 . 0 0 "[ . 1 . 2]" 1
983 1 67 PRO HB2 1 84 VAL MG1 4.500 . 5.200 2.306 1.934 3.004 0.066 6 0 "[ . 1 . 2]" 1
984 1 67 PRO HG3 1 84 VAL MG1 4.500 . 5.200 4.122 3.159 5.071 . 0 0 "[ . 1 . 2]" 1
985 1 67 PRO HG3 1 86 SER HA 4.500 . 5.200 4.056 3.579 5.014 . 0 0 "[ . 1 . 2]" 1
986 1 67 PRO HG3 1 86 SER HB3 4.500 . 5.200 5.030 4.176 5.377 0.177 13 0 "[ . 1 . 2]" 1
987 1 67 PRO HG3 1 86 SER HB2 4.500 . 5.200 5.158 4.430 5.386 0.186 10 0 "[ . 1 . 2]" 1
988 1 67 PRO HG3 1 86 SER QB 4.500 . 5.200 4.530 3.822 4.739 . 0 0 "[ . 1 . 2]" 1
989 1 68 PHE HA 1 68 PHE QD 4.500 . 5.200 2.951 2.811 3.108 . 0 0 "[ . 1 . 2]" 1
990 1 68 PHE HA 1 71 ALA MB 4.500 . 5.200 2.897 2.535 3.214 . 0 0 "[ . 1 . 2]" 1
991 1 68 PHE HA 1 93 ILE MD 4.500 . 5.200 2.318 2.001 2.598 . 0 0 "[ . 1 . 2]" 1
992 1 68 PHE QD 1 69 GLU HA 4.500 . 5.200 2.957 2.727 3.232 . 0 0 "[ . 1 . 2]" 1
993 1 68 PHE QD 1 72 ALA MB 4.500 . 5.200 3.095 2.630 3.499 . 0 0 "[ . 1 . 2]" 1
994 1 68 PHE QD 1 93 ILE MD 4.500 . 5.200 2.621 2.340 2.828 . 0 0 "[ . 1 . 2]" 1
995 1 68 PHE H 1 84 VAL MG1 4.500 . 5.200 3.357 2.789 4.103 . 0 0 "[ . 1 . 2]" 1
996 1 69 GLU HA 1 72 ALA H 4.500 . 5.200 3.315 3.108 3.612 . 0 0 "[ . 1 . 2]" 1
997 1 69 GLU HB2 1 70 ASP H 4.500 . 5.200 2.534 2.294 2.729 . 0 0 "[ . 1 . 2]" 1
998 1 69 GLU HG3 1 73 PHE QE 4.500 . 5.200 4.902 4.072 5.285 0.085 4 0 "[ . 1 . 2]" 1
999 1 69 GLU HG2 1 73 PHE QE 4.500 . 5.200 3.665 2.377 4.281 . 0 0 "[ . 1 . 2]" 1
1000 1 69 GLU QG 1 73 PHE QE 4.500 . 5.200 3.557 2.362 4.091 . 0 0 "[ . 1 . 2]" 1
1001 1 70 ASP HA 1 71 ALA HA 4.500 . 5.200 4.745 4.653 4.780 . 0 0 "[ . 1 . 2]" 1
1002 1 70 ASP QB 1 71 ALA HA 4.500 . 5.200 4.105 3.890 4.328 . 0 0 "[ . 1 . 2]" 1
1003 1 70 ASP QB 1 71 ALA MB 4.500 . 5.200 3.788 3.529 3.979 . 0 0 "[ . 1 . 2]" 1
1004 1 70 ASP H 1 71 ALA MB 4.500 . 5.200 4.395 4.290 4.569 . 0 0 "[ . 1 . 2]" 1
1005 1 70 ASP H 1 72 ALA H 4.500 . 5.200 4.015 3.857 4.249 . 0 0 "[ . 1 . 2]" 1
1006 1 71 ALA HA 1 72 ALA HA 4.500 . 5.200 4.802 4.767 4.838 . 0 0 "[ . 1 . 2]" 1
1007 1 71 ALA HA 1 74 ARG QB 4.500 . 5.200 2.748 2.117 3.358 . 0 0 "[ . 1 . 2]" 1
1008 1 71 ALA HA 1 74 ARG H 4.500 . 5.200 3.557 3.281 3.906 . 0 0 "[ . 1 . 2]" 1
1009 1 71 ALA HA 1 81 SER QB 4.500 . 5.200 3.927 3.240 4.754 . 0 0 "[ . 1 . 2]" 1
1010 1 71 ALA HA 1 93 ILE MD 4.500 . 5.200 4.420 4.203 4.717 . 0 0 "[ . 1 . 2]" 1
1011 1 71 ALA MB 1 81 SER QB 4.500 . 5.200 2.278 2.016 2.833 . 0 0 "[ . 1 . 2]" 1
1012 1 71 ALA MB 1 82 GLU H 4.500 . 5.200 4.291 3.460 5.039 . 0 0 "[ . 1 . 2]" 1
1013 1 71 ALA MB 1 84 VAL MG1 4.500 . 5.200 2.925 2.179 3.813 . 0 0 "[ . 1 . 2]" 1
1014 1 71 ALA H 1 73 PHE H 4.500 . 5.200 4.310 4.169 4.448 . 0 0 "[ . 1 . 2]" 1
1015 1 71 ALA H 1 93 ILE MD 4.500 . 5.200 3.920 3.640 4.160 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ALA HA 1 74 ARG H 4.500 . 5.200 4.368 4.050 4.635 . 0 0 "[ . 1 . 2]" 1
1017 1 72 ALA MB 1 73 PHE HB3 4.500 . 5.200 5.199 5.071 5.287 0.087 13 0 "[ . 1 . 2]" 1
1018 1 72 ALA MB 1 73 PHE HB2 4.500 . 5.200 4.367 4.169 4.614 . 0 0 "[ . 1 . 2]" 1
1019 1 72 ALA MB 1 73 PHE QD 4.500 . 5.200 3.497 2.817 3.889 . 0 0 "[ . 1 . 2]" 1
1020 1 72 ALA MB 1 74 ARG H 4.500 . 5.200 4.416 4.291 4.585 . 0 0 "[ . 1 . 2]" 1
1021 1 72 ALA MB 1 93 ILE MG 4.500 . 5.200 2.830 2.406 3.576 . 0 0 "[ . 1 . 2]" 1
1022 1 72 ALA H 1 73 PHE QD 4.500 . 5.200 4.613 4.281 5.143 . 0 0 "[ . 1 . 2]" 1
1023 1 72 ALA H 1 74 ARG H 4.500 . 5.200 4.117 3.945 4.439 . 0 0 "[ . 1 . 2]" 1
1024 1 72 ALA H 1 93 ILE MD 4.500 . 5.200 3.074 2.687 3.710 . 0 0 "[ . 1 . 2]" 1
1025 1 72 ALA H 1 93 ILE MG 4.500 . 5.200 3.946 3.425 4.603 . 0 0 "[ . 1 . 2]" 1
1026 1 73 PHE HA 1 75 LEU H 4.500 . 5.200 4.277 3.750 4.681 . 0 0 "[ . 1 . 2]" 1
1027 1 73 PHE HB3 1 74 ARG H 4.500 . 5.200 3.633 3.443 3.771 . 0 0 "[ . 1 . 2]" 1
1028 1 73 PHE HB2 1 74 ARG H 4.500 . 5.200 2.889 2.538 3.225 . 0 0 "[ . 1 . 2]" 1
1029 1 73 PHE QD 1 74 ARG H 4.500 . 5.200 4.464 4.117 4.616 . 0 0 "[ . 1 . 2]" 1
1030 1 73 PHE H 1 73 PHE QD 4.500 . 5.200 2.734 2.376 3.242 . 0 0 "[ . 1 . 2]" 1
1031 1 73 PHE H 1 75 LEU H 4.500 . 5.200 4.308 4.126 4.615 . 0 0 "[ . 1 . 2]" 1
1032 1 74 ARG HA 1 74 ARG QD 4.500 . 5.200 3.863 2.001 4.169 . 0 0 "[ . 1 . 2]" 1
1033 1 74 ARG HA 1 74 ARG HG3 5.500 . 6.000 2.926 2.479 3.724 . 0 0 "[ . 1 . 2]" 1
1034 1 74 ARG HA 1 74 ARG HG2 4.500 . 5.200 2.494 2.311 3.011 . 0 0 "[ . 1 . 2]" 1
1035 1 74 ARG HA 1 75 LEU HA 4.500 . 5.200 4.587 4.493 4.658 . 0 0 "[ . 1 . 2]" 1
1036 1 74 ARG QB 1 75 LEU H 4.500 . 5.200 2.683 2.336 2.993 . 0 0 "[ . 1 . 2]" 1
1037 1 74 ARG H 1 75 LEU HA 5.500 . 6.000 5.312 5.203 5.423 . 0 0 "[ . 1 . 2]" 1
1038 1 74 ARG H 1 76 GLN H 4.500 . 5.200 4.448 4.079 4.639 . 0 0 "[ . 1 . 2]" 1
1039 1 75 LEU HA 1 77 VAL MG1 4.500 . 5.200 2.426 2.020 2.763 . 0 0 "[ . 1 . 2]" 1
1040 1 75 LEU HA 1 79 GLU HB3 4.500 . 5.200 4.159 3.239 5.275 0.075 8 0 "[ . 1 . 2]" 1
1041 1 75 LEU HB3 1 77 VAL MG1 4.500 . 5.200 3.480 2.636 4.664 . 0 0 "[ . 1 . 2]" 1
1042 1 75 LEU HB3 1 79 GLU HB3 4.500 . 5.200 3.541 2.354 4.513 . 0 0 "[ . 1 . 2]" 1
1043 1 75 LEU HB3 1 81 SER H 5.200 . 6.000 4.977 4.350 5.249 . 0 0 "[ . 1 . 2]" 1
1044 1 75 LEU HB2 1 75 LEU MD2 4.500 . 5.200 3.220 3.173 3.260 . 0 0 "[ . 1 . 2]" 1
1045 1 75 LEU HB2 1 77 VAL MG1 4.500 . 5.200 4.372 2.851 5.222 0.022 1 0 "[ . 1 . 2]" 1
1046 1 75 LEU HB2 1 77 VAL H 4.500 . 5.200 4.918 4.221 5.169 . 0 0 "[ . 1 . 2]" 1
1047 1 75 LEU HB2 1 78 GLY H 4.500 . 5.200 4.199 3.272 4.564 . 0 0 "[ . 1 . 2]" 1
1048 1 75 LEU HB2 1 79 GLU HB3 4.500 . 5.200 4.770 2.324 5.385 0.185 14 0 "[ . 1 . 2]" 1
1049 1 75 LEU MD1 1 79 GLU HB2 4.500 . 5.200 3.925 2.375 5.300 0.100 15 0 "[ . 1 . 2]" 1
1050 1 75 LEU MD1 1 79 GLU QG 4.500 . 5.200 4.449 2.232 5.300 0.100 6 0 "[ . 1 . 2]" 1
1051 1 75 LEU MD1 1 79 GLU H 4.500 . 5.200 4.139 3.598 4.517 . 0 0 "[ . 1 . 2]" 1
1052 1 75 LEU MD1 1 80 VAL H 4.500 . 5.200 3.849 3.171 4.472 . 0 0 "[ . 1 . 2]" 1
1053 1 75 LEU MD1 1 82 GLU H 4.500 . 5.200 3.983 3.316 4.883 . 0 0 "[ . 1 . 2]" 1
1054 1 75 LEU MD2 1 76 GLN H 4.500 . 5.200 4.285 2.651 4.706 . 0 0 "[ . 1 . 2]" 1
1055 1 75 LEU MD2 1 79 GLU HB3 4.500 . 5.200 2.543 1.938 5.328 0.128 16 0 "[ . 1 . 2]" 1
1056 1 75 LEU MD2 1 79 GLU QG 4.500 . 5.200 3.661 3.114 5.296 0.096 16 0 "[ . 1 . 2]" 1
1057 1 75 LEU H 1 75 LEU HB2 4.500 . 5.200 2.721 2.535 3.742 . 0 0 "[ . 1 . 2]" 1
1058 1 75 LEU H 1 75 LEU MD1 4.500 . 5.200 3.738 3.506 4.010 . 0 0 "[ . 1 . 2]" 1
1059 1 75 LEU H 1 75 LEU MD2 4.500 . 5.200 3.246 1.800 3.621 0.200 19 0 "[ . 1 . 2]" 1
1060 1 75 LEU H 1 76 GLN HG3 4.500 . 5.200 4.458 3.872 5.460 0.260 15 0 "[ . 1 . 2]" 1
1061 1 75 LEU H 1 76 GLN H 4.500 . 5.200 2.868 2.546 3.164 . 0 0 "[ . 1 . 2]" 1
1062 1 76 GLN HA 1 76 GLN HG2 4.500 . 5.200 2.474 2.253 2.908 . 0 0 "[ . 1 . 2]" 1
1063 1 76 GLN HA 1 77 VAL MG1 4.500 . 5.200 4.679 4.483 5.025 . 0 0 "[ . 1 . 2]" 1
1064 1 76 GLN HB2 1 77 VAL H 4.500 . 5.200 3.101 2.736 3.287 . 0 0 "[ . 1 . 2]" 1
1065 1 76 GLN HG2 1 77 VAL H 4.500 . 5.200 4.942 4.253 5.183 . 0 0 "[ . 1 . 2]" 1
1066 1 76 GLN H 1 76 GLN HG2 4.500 . 5.200 3.122 2.045 3.622 . 0 0 "[ . 1 . 2]" 1
1067 1 76 GLN H 1 77 VAL MG1 4.500 . 5.200 3.869 3.439 4.372 . 0 0 "[ . 1 . 2]" 1
1068 1 77 VAL HA 1 77 VAL MG1 4.500 . 5.200 3.175 2.423 3.227 . 0 0 "[ . 1 . 2]" 1
1069 1 77 VAL MG1 1 78 GLY HA3 4.500 . 5.200 3.920 3.574 5.419 0.219 1 0 "[ . 1 . 2]" 1
1070 1 77 VAL MG1 1 78 GLY HA2 4.500 . 5.200 4.242 3.958 5.479 0.279 1 0 "[ . 1 . 2]" 1
1071 1 77 VAL MG1 1 79 GLU HB3 4.500 . 5.200 3.528 2.162 5.270 0.070 1 0 "[ . 1 . 2]" 1
1072 1 77 VAL MG2 1 78 GLY HA2 4.500 . 5.200 4.917 3.750 5.266 0.066 14 0 "[ . 1 . 2]" 1
1073 1 77 VAL H 1 79 GLU H 4.500 . 5.200 4.008 3.677 4.533 . 0 0 "[ . 1 . 2]" 1
1074 1 78 GLY HA3 1 94 LYS QE 4.500 . 5.200 4.735 3.865 5.328 0.128 4 0 "[ . 1 . 2]" 1
1075 1 78 GLY HA2 1 94 LYS QE 4.500 . 5.200 4.645 3.883 5.270 0.070 17 0 "[ . 1 . 2]" 1
1076 1 78 GLY H 1 79 GLU HB3 4.500 . 5.200 4.954 3.726 5.415 0.215 9 0 "[ . 1 . 2]" 1
1077 1 79 GLU HB3 1 80 VAL H 4.500 . 5.200 2.697 2.062 3.862 . 0 0 "[ . 1 . 2]" 1
1078 1 79 GLU H 1 79 GLU QG 4.500 . 5.200 3.330 2.282 4.047 . 0 0 "[ . 1 . 2]" 1
1079 1 79 GLU H 1 95 ARG H 4.500 . 5.200 4.275 3.311 5.029 . 0 0 "[ . 1 . 2]" 1
1080 1 7 ALA HA 1 8 ASP HA 4.500 . 5.200 4.763 4.630 4.872 . 0 0 "[ . 1 . 2]" 1
1081 1 7 ALA HA 1 8 ASP QB 4.500 . 5.200 5.046 4.590 5.371 0.171 5 0 "[ . 1 . 2]" 1
1082 1 7 ALA MB 1 11 LYS HD2 5.500 . 6.000 5.842 4.366 6.227 0.227 14 0 "[ . 1 . 2]" 1
1083 1 7 ALA MB 1 11 LYS HG3 5.500 . 6.000 5.780 4.722 6.156 0.156 14 0 "[ . 1 . 2]" 1
1084 1 7 ALA MB 1 8 ASP HA 4.500 . 5.200 4.101 3.733 4.463 . 0 0 "[ . 1 . 2]" 1
1085 1 80 VAL HA 1 81 SER HA 4.500 . 5.200 4.370 4.285 4.411 . 0 0 "[ . 1 . 2]" 1
1086 1 80 VAL HB 1 81 SER H 4.500 . 5.200 4.084 3.934 4.216 . 0 0 "[ . 1 . 2]" 1
1087 1 80 VAL MG1 1 81 SER HA 4.500 . 5.200 4.285 4.014 4.531 . 0 0 "[ . 1 . 2]" 1
1088 1 80 VAL MG1 1 81 SER QB 4.500 . 5.200 4.348 3.552 4.533 . 0 0 "[ . 1 . 2]" 1
1089 1 80 VAL MG1 1 93 ILE HB 4.500 . 5.200 5.141 4.803 5.359 0.159 1 0 "[ . 1 . 2]" 1
1090 1 80 VAL MG1 1 94 LYS HA 4.500 . 5.200 3.682 3.067 4.421 . 0 0 "[ . 1 . 2]" 1
1091 1 80 VAL MG2 1 81 SER H 4.500 . 5.200 4.142 3.911 4.317 . 0 0 "[ . 1 . 2]" 1
1092 1 80 VAL MG2 1 93 ILE H 5.500 . 6.000 5.819 5.473 6.100 0.100 20 0 "[ . 1 . 2]" 1
1093 1 80 VAL MG2 1 94 LYS HA 4.500 . 5.200 3.571 3.131 4.136 . 0 0 "[ . 1 . 2]" 1
1094 1 80 VAL H 1 80 VAL MG1 4.500 . 5.200 3.803 3.733 3.875 . 0 0 "[ . 1 . 2]" 1
1095 1 80 VAL H 1 81 SER H 4.500 . 5.200 4.427 4.249 4.536 . 0 0 "[ . 1 . 2]" 1
1096 1 81 SER HB3 1 93 ILE HB 4.500 . 5.200 2.604 1.959 3.039 0.041 2 0 "[ . 1 . 2]" 1
1097 1 81 SER HB2 1 93 ILE HB 4.500 . 5.200 3.417 2.084 3.639 . 0 0 "[ . 1 . 2]" 1
1098 1 81 SER QB 1 84 VAL MG2 4.500 . 5.200 2.732 2.230 3.294 . 0 0 "[ . 1 . 2]" 1
1099 1 81 SER QB 1 92 VAL HA 4.500 . 5.200 4.125 3.521 4.625 . 0 0 "[ . 1 . 2]" 1
1100 1 81 SER QB 1 92 VAL MG1 4.500 . 5.200 4.337 3.806 4.688 . 0 0 "[ . 1 . 2]" 1
1101 1 81 SER QB 1 93 ILE HB 4.500 . 5.200 2.500 1.945 2.894 0.055 2 0 "[ . 1 . 2]" 1
1102 1 81 SER QB 1 93 ILE MD 4.500 . 5.200 3.332 2.717 3.721 . 0 0 "[ . 1 . 2]" 1
1103 1 81 SER QB 1 93 ILE MG 4.500 . 5.200 3.676 3.084 4.075 . 0 0 "[ . 1 . 2]" 1
1104 1 81 SER H 1 82 GLU H 4.500 . 5.200 4.581 4.496 4.639 . 0 0 "[ . 1 . 2]" 1
1105 1 81 SER H 1 92 VAL HA 4.500 . 5.200 4.638 4.389 5.086 . 0 0 "[ . 1 . 2]" 1
1106 1 81 SER H 1 93 ILE HA 4.500 . 5.200 4.557 4.362 4.820 . 0 0 "[ . 1 . 2]" 1
1107 1 81 SER H 1 93 ILE MD 4.500 . 5.200 5.147 4.640 5.361 0.161 12 0 "[ . 1 . 2]" 1
1108 1 81 SER H 1 93 ILE H 4.500 . 5.200 2.953 2.666 3.263 . 0 0 "[ . 1 . 2]" 1
1109 1 81 SER H 1 94 LYS HA 4.500 . 5.200 3.390 3.090 3.738 . 0 0 "[ . 1 . 2]" 1
1110 1 82 GLU HB3 1 83 PRO HD3 4.500 . 5.200 3.064 2.617 3.749 . 0 0 "[ . 1 . 2]" 1
1111 1 82 GLU HB2 1 83 PRO HD3 4.500 . 5.200 3.906 2.661 4.561 . 0 0 "[ . 1 . 2]" 1
1112 1 82 GLU HB2 1 83 PRO HD2 4.500 . 5.200 3.008 1.938 3.606 0.062 14 0 "[ . 1 . 2]" 1
1113 1 82 GLU HG3 1 83 PRO HD3 4.500 . 5.200 4.561 4.003 5.332 0.132 14 0 "[ . 1 . 2]" 1
1114 1 82 GLU H 1 82 GLU HG3 4.500 . 5.200 2.457 1.938 3.235 0.062 3 0 "[ . 1 . 2]" 1
1115 1 82 GLU H 1 84 VAL MG2 4.500 . 5.200 4.102 3.859 4.313 . 0 0 "[ . 1 . 2]" 1
1116 1 83 PRO HA 1 84 VAL MG2 4.500 . 5.200 3.680 3.458 3.941 . 0 0 "[ . 1 . 2]" 1
1117 1 83 PRO HB3 1 90 TYR QD 4.500 . 5.200 2.964 2.302 4.419 . 0 0 "[ . 1 . 2]" 1
1118 1 84 VAL HB 1 85 LYS H 4.500 . 5.200 4.326 4.193 4.475 . 0 0 "[ . 1 . 2]" 1
1119 1 84 VAL HB 1 91 HIS HB3 5.500 . 6.000 3.682 3.540 3.877 . 0 0 "[ . 1 . 2]" 1
1120 1 84 VAL HB 1 91 HIS HB2 4.500 . 5.200 2.018 1.940 2.280 0.060 6 0 "[ . 1 . 2]" 1
1121 1 84 VAL HB 1 92 VAL H 4.500 . 5.200 4.980 4.764 5.209 0.009 4 0 "[ . 1 . 2]" 1
1122 1 84 VAL HB 1 93 ILE MD 4.500 . 5.200 3.558 3.067 3.917 . 0 0 "[ . 1 . 2]" 1
1123 1 84 VAL MG1 1 85 LYS H 4.500 . 5.200 2.850 2.504 3.247 . 0 0 "[ . 1 . 2]" 1
1124 1 84 VAL MG1 1 86 SER H 4.500 . 5.200 4.523 4.067 4.896 . 0 0 "[ . 1 . 2]" 1
1125 1 84 VAL MG1 1 90 TYR HA 4.500 . 5.200 4.647 4.379 5.010 . 0 0 "[ . 1 . 2]" 1
1126 1 84 VAL MG1 1 91 HIS HB3 5.500 . 6.000 4.360 4.040 4.628 . 0 0 "[ . 1 . 2]" 1
1127 1 84 VAL MG1 1 91 HIS HB2 4.500 . 5.200 2.958 2.599 3.253 . 0 0 "[ . 1 . 2]" 1
1128 1 84 VAL MG1 1 91 HIS HD1 4.500 . 5.200 5.175 4.489 5.349 0.149 4 0 "[ . 1 . 2]" 1
1129 1 84 VAL MG1 1 91 HIS H 4.500 . 5.200 3.610 3.414 3.976 . 0 0 "[ . 1 . 2]" 1
1130 1 84 VAL MG1 1 93 ILE MD 4.500 . 5.200 3.012 2.501 3.518 . 0 0 "[ . 1 . 2]" 1
1131 1 84 VAL MG2 1 85 LYS H 4.500 . 5.200 4.105 3.869 4.302 . 0 0 "[ . 1 . 2]" 1
1132 1 84 VAL MG2 1 91 HIS HB3 5.500 . 6.300 4.393 3.631 4.848 . 0 0 "[ . 1 . 2]" 1
1133 1 84 VAL MG2 1 91 HIS H 4.500 . 5.200 4.133 3.574 4.574 . 0 0 "[ . 1 . 2]" 1
1134 1 84 VAL MG2 1 92 VAL HA 4.500 . 5.200 3.658 2.934 4.428 . 0 0 "[ . 1 . 2]" 1
1135 1 84 VAL MG2 1 93 ILE HG13 4.500 . 5.200 3.134 2.346 3.868 . 0 0 "[ . 1 . 2]" 1
1136 1 84 VAL H 1 84 VAL MG1 4.500 . 5.200 3.778 3.730 3.833 . 0 0 "[ . 1 . 2]" 1
1137 1 84 VAL H 1 84 VAL MG2 4.500 . 5.200 2.647 2.251 2.958 . 0 0 "[ . 1 . 2]" 1
1138 1 84 VAL H 1 85 LYS H 4.500 . 5.200 4.261 4.010 4.349 . 0 0 "[ . 1 . 2]" 1
1139 1 84 VAL H 1 91 HIS HB3 5.500 . 6.000 4.900 4.671 5.256 . 0 0 "[ . 1 . 2]" 1
1140 1 84 VAL H 1 91 HIS H 4.500 . 5.200 2.594 2.311 3.041 . 0 0 "[ . 1 . 2]" 1
1141 1 84 VAL H 1 92 VAL HA 4.500 . 5.200 3.802 3.555 4.028 . 0 0 "[ . 1 . 2]" 1
1142 1 85 LYS HA 1 85 LYS QD 4.500 . 5.200 3.191 2.005 3.950 . 0 0 "[ . 1 . 2]" 1
1143 1 85 LYS HA 1 85 LYS HG3 4.500 . 5.200 2.757 2.337 3.578 . 0 0 "[ . 1 . 2]" 1
1144 1 85 LYS HA 1 85 LYS HG2 4.500 . 5.200 3.125 2.076 3.784 . 0 0 "[ . 1 . 2]" 1
1145 1 85 LYS HA 1 90 TYR H 4.500 . 5.200 4.783 4.548 5.090 . 0 0 "[ . 1 . 2]" 1
1146 1 85 LYS HA 1 91 HIS H 4.500 . 5.200 3.696 3.346 4.122 . 0 0 "[ . 1 . 2]" 1
1147 1 85 LYS HB3 1 86 SER H 4.500 . 5.200 4.009 3.190 4.196 . 0 0 "[ . 1 . 2]" 1
1148 1 85 LYS HB3 1 90 TYR QE 4.500 . 5.200 4.071 3.733 5.266 0.066 10 0 "[ . 1 . 2]" 1
1149 1 85 LYS HB2 1 86 SER H 4.500 . 5.200 4.209 4.039 4.386 . 0 0 "[ . 1 . 2]" 1
1150 1 85 LYS HB2 1 90 TYR QE 4.500 . 5.200 2.592 2.044 4.924 . 0 0 "[ . 1 . 2]" 1
1151 1 85 LYS QB 1 85 LYS QE 4.500 . 5.200 3.687 3.543 3.805 . 0 0 "[ . 1 . 2]" 1
1152 1 85 LYS QB 1 86 SER H 4.500 . 5.200 3.641 3.109 3.738 . 0 0 "[ . 1 . 2]" 1
1153 1 85 LYS HD3 1 86 SER H 4.500 . 5.200 4.322 2.345 5.232 0.032 17 0 "[ . 1 . 2]" 1
1154 1 85 LYS HD2 1 86 SER H 4.500 . 5.200 4.034 1.981 5.351 0.151 11 0 "[ . 1 . 2]" 1
1155 1 85 LYS QD 1 86 SER H 4.500 . 5.200 3.538 1.973 4.687 0.027 14 0 "[ . 1 . 2]" 1
1156 1 85 LYS QD 1 90 TYR QE 4.500 . 5.200 2.905 2.048 4.474 . 0 0 "[ . 1 . 2]" 1
1157 1 85 LYS QE 1 90 TYR QE 4.500 . 5.200 3.623 2.457 4.756 . 0 0 "[ . 1 . 2]" 1
1158 1 85 LYS QG 1 86 SER H 4.500 . 5.200 2.697 2.260 4.176 . 0 0 "[ . 1 . 2]" 1
1159 1 85 LYS H 1 85 LYS HB3 4.500 . 5.200 2.657 2.497 3.488 . 0 0 "[ . 1 . 2]" 1
1160 1 85 LYS H 1 85 LYS HB2 4.500 . 5.200 2.691 2.211 3.086 . 0 0 "[ . 1 . 2]" 1
1161 1 85 LYS H 1 85 LYS QD 4.500 . 5.200 4.442 4.110 4.790 . 0 0 "[ . 1 . 2]" 1
1162 1 86 SER HB3 1 88 PHE QD 4.500 . 5.200 4.408 3.756 5.247 0.047 2 0 "[ . 1 . 2]" 1
1163 1 86 SER HB2 1 88 PHE QD 4.500 . 5.200 3.311 2.672 4.415 . 0 0 "[ . 1 . 2]" 1
1164 1 86 SER QB 1 88 PHE QD 4.500 . 5.200 3.210 2.618 4.169 . 0 0 "[ . 1 . 2]" 1
1165 1 86 SER QB 1 91 HIS HD1 4.500 . 5.200 5.329 5.113 5.514 0.314 13 0 "[ . 1 . 2]" 1
1166 1 86 SER H 1 89 GLY HA3 4.500 . 5.200 4.624 4.473 4.739 . 0 0 "[ . 1 . 2]" 1
1167 1 86 SER H 1 89 GLY HA2 4.500 . 5.200 3.780 3.398 3.944 . 0 0 "[ . 1 . 2]" 1
1168 1 86 SER H 1 89 GLY H 4.500 . 5.200 2.863 2.688 3.023 . 0 0 "[ . 1 . 2]" 1
1169 1 87 GLU HA 1 87 GLU HG2 4.500 . 5.200 3.563 2.944 3.773 . 0 0 "[ . 1 . 2]" 1
1170 1 87 GLU HG3 1 88 PHE QD 4.500 . 5.200 4.214 3.066 5.371 0.171 17 0 "[ . 1 . 2]" 1
1171 1 87 GLU HG2 1 88 PHE HA 4.500 . 5.200 4.493 3.831 5.205 0.005 15 0 "[ . 1 . 2]" 1
1172 1 87 GLU HG2 1 88 PHE QD 4.500 . 5.200 3.167 2.195 4.558 . 0 0 "[ . 1 . 2]" 1
1173 1 87 GLU H 1 87 GLU HB3 4.500 . 5.200 2.924 2.450 3.363 . 0 0 "[ . 1 . 2]" 1
1174 1 87 GLU H 1 87 GLU HB2 4.500 . 5.200 3.220 2.423 3.613 . 0 0 "[ . 1 . 2]" 1
1175 1 87 GLU H 1 88 PHE H 4.500 . 5.200 2.457 2.270 2.609 . 0 0 "[ . 1 . 2]" 1
1176 1 89 GLY HA2 1 90 TYR HB3 5.200 . 6.000 6.044 5.912 6.140 0.140 15 0 "[ . 1 . 2]" 1
1177 1 89 GLY HA2 1 90 TYR QD 4.500 . 5.200 4.006 3.314 4.589 . 0 0 "[ . 1 . 2]" 1
1178 1 89 GLY H 1 90 TYR H 4.500 . 5.200 4.290 4.158 4.359 . 0 0 "[ . 1 . 2]" 1
1179 1 8 ASP HB3 1 9 LYS H 4.500 . 5.200 3.258 2.367 4.400 . 0 0 "[ . 1 . 2]" 1
1180 1 8 ASP HB2 1 9 LYS H 4.500 . 5.200 3.804 2.471 4.618 . 0 0 "[ . 1 . 2]" 1
1181 1 8 ASP QB 1 9 LYS HA 4.500 . 5.200 4.356 3.820 4.761 . 0 0 "[ . 1 . 2]" 1
1182 1 8 ASP QB 1 9 LYS HD3 5.500 . 6.200 5.663 3.401 6.537 0.337 16 0 "[ . 1 . 2]" 1
1183 1 90 TYR HA 1 90 TYR QD 4.500 . 5.200 2.768 2.451 2.963 . 0 0 "[ . 1 . 2]" 1
1184 1 90 TYR HB3 1 91 HIS H 4.500 . 5.200 3.314 3.118 3.525 . 0 0 "[ . 1 . 2]" 1
1185 1 90 TYR HB2 1 91 HIS H 4.500 . 5.200 4.285 4.106 4.389 . 0 0 "[ . 1 . 2]" 1
1186 1 90 TYR H 1 90 TYR HB3 4.500 . 5.200 3.596 3.470 3.686 . 0 0 "[ . 1 . 2]" 1
1187 1 90 TYR H 1 90 TYR HB2 4.500 . 5.200 2.387 2.244 2.522 . 0 0 "[ . 1 . 2]" 1
1188 1 90 TYR H 1 91 HIS H 4.500 . 5.200 4.409 4.318 4.537 . 0 0 "[ . 1 . 2]" 1
1189 1 91 HIS HB3 1 92 VAL H 4.500 . 5.200 2.776 2.645 2.951 . 0 0 "[ . 1 . 2]" 1
1190 1 91 HIS H 1 91 HIS HB2 4.500 . 5.200 2.751 2.533 2.882 . 0 0 "[ . 1 . 2]" 1
1191 1 91 HIS H 1 92 VAL H 4.500 . 5.200 4.449 4.388 4.488 . 0 0 "[ . 1 . 2]" 1
1192 1 92 VAL HA 1 93 ILE MD 4.500 . 5.200 4.801 4.530 4.965 . 0 0 "[ . 1 . 2]" 1
1193 1 92 VAL MG2 1 93 ILE H 4.500 . 5.200 4.084 3.919 4.422 . 0 0 "[ . 1 . 2]" 1
1194 1 92 VAL H 1 92 VAL HB 4.500 . 5.200 2.645 2.533 2.893 . 0 0 "[ . 1 . 2]" 1
1195 1 92 VAL H 1 93 ILE HG12 4.500 . 5.200 4.799 4.617 4.955 . 0 0 "[ . 1 . 2]" 1
1196 1 93 ILE HA 1 93 ILE MD 4.500 . 5.200 3.831 3.810 3.850 . 0 0 "[ . 1 . 2]" 1
1197 1 93 ILE HB 1 93 ILE MD 4.500 . 5.200 2.194 2.133 2.262 . 0 0 "[ . 1 . 2]" 1
1198 1 93 ILE MG 1 94 LYS HA 4.500 . 5.200 3.505 3.239 3.665 . 0 0 "[ . 1 . 2]" 1
1199 1 93 ILE H 1 93 ILE HB 4.500 . 5.200 2.533 2.467 2.579 . 0 0 "[ . 1 . 2]" 1
1200 1 93 ILE H 1 93 ILE MG 4.500 . 5.200 3.806 3.783 3.826 . 0 0 "[ . 1 . 2]" 1
1201 1 93 ILE H 1 94 LYS H 4.500 . 5.200 4.364 4.300 4.428 . 0 0 "[ . 1 . 2]" 1
1202 1 94 LYS HA 1 94 LYS QE 4.500 . 5.200 4.689 4.049 5.217 0.017 8 0 "[ . 1 . 2]" 1
1203 1 94 LYS HA 1 95 ARG HA 4.500 . 5.200 4.287 4.198 4.381 . 0 0 "[ . 1 . 2]" 1
1204 1 94 LYS HB3 1 94 LYS QE 4.500 . 5.200 4.193 3.990 4.702 . 0 0 "[ . 1 . 2]" 1
1205 1 94 LYS QE 1 95 ARG H 4.500 . 5.200 4.260 3.349 4.816 . 0 0 "[ . 1 . 2]" 1
1206 1 95 ARG QB 1 96 LEU H 4.500 . 5.200 3.412 3.120 3.651 . 0 0 "[ . 1 . 2]" 1
1207 1 95 ARG H 1 95 ARG HG3 4.500 . 5.200 4.443 3.992 4.648 . 0 0 "[ . 1 . 2]" 1
1208 1 95 ARG H 1 95 ARG HG2 4.500 . 5.200 4.361 4.137 4.651 . 0 0 "[ . 1 . 2]" 1
1209 1 95 ARG H 1 95 ARG QG 4.500 . 5.200 3.911 3.661 4.060 . 0 0 "[ . 1 . 2]" 1
1210 1 96 LEU HA 1 96 LEU MD1 4.500 . 5.200 2.190 1.986 3.433 0.014 4 0 "[ . 1 . 2]" 1
1211 1 96 LEU HA 1 96 LEU HG 4.500 . 5.200 3.072 2.942 3.588 . 0 0 "[ . 1 . 2]" 1
1212 1 96 LEU HB2 1 97 GLY H 4.500 . 5.200 4.091 2.905 4.277 . 0 0 "[ . 1 . 2]" 1
1213 1 96 LEU MD1 1 97 GLY HA2 4.500 . 5.200 4.441 3.056 4.844 . 0 0 "[ . 1 . 2]" 1
1214 1 96 LEU HG 1 97 GLY HA3 4.500 . 5.200 4.397 4.190 5.155 . 0 0 "[ . 1 . 2]" 1
1215 1 96 LEU HG 1 97 GLY H 4.500 . 5.200 2.844 2.375 3.859 . 0 0 "[ . 1 . 2]" 1
1216 1 96 LEU H 1 96 LEU MD1 4.500 . 5.200 4.237 4.102 4.333 . 0 0 "[ . 1 . 2]" 1
1217 1 96 LEU H 1 96 LEU MD2 4.500 . 5.200 4.320 3.509 4.504 . 0 0 "[ . 1 . 2]" 1
1218 1 96 LEU H 1 97 GLY HA2 4.500 . 5.200 4.945 4.645 5.494 0.294 8 0 "[ . 1 . 2]" 1
1219 1 9 LYS HA 1 60 GLY HA3 4.500 . 5.200 3.881 3.734 4.142 . 0 0 "[ . 1 . 2]" 1
1220 1 9 LYS HA 1 60 GLY HA2 4.500 . 5.200 2.395 2.166 2.640 . 0 0 "[ . 1 . 2]" 1
1221 1 9 LYS HA 1 9 LYS HG2 4.500 . 5.200 2.529 2.346 3.032 . 0 0 "[ . 1 . 2]" 1
1222 1 9 LYS HB3 1 10 ILE H 4.500 . 5.200 2.511 2.277 2.843 . 0 0 "[ . 1 . 2]" 1
1223 1 9 LYS HB3 1 58 TYR HB2 4.500 . 5.200 3.231 2.550 3.684 . 0 0 "[ . 1 . 2]" 1
1224 1 9 LYS HB3 1 58 TYR QD 4.500 . 5.200 4.202 3.067 5.131 . 0 0 "[ . 1 . 2]" 1
1225 1 9 LYS HB3 1 60 GLY H 4.500 . 5.200 4.225 3.728 4.539 . 0 0 "[ . 1 . 2]" 1
1226 1 9 LYS HB2 1 58 TYR HB2 4.500 . 5.200 3.483 2.776 4.326 . 0 0 "[ . 1 . 2]" 1
1227 1 9 LYS HD2 1 58 TYR HB3 4.500 . 5.200 3.529 2.179 4.861 . 0 0 "[ . 1 . 2]" 1
1228 1 9 LYS HD2 1 58 TYR HB2 4.500 . 5.200 3.342 2.417 4.626 . 0 0 "[ . 1 . 2]" 1
1229 1 9 LYS QE 1 58 TYR HB3 4.500 . 5.200 4.974 4.135 5.391 0.191 9 0 "[ . 1 . 2]" 1
1230 1 9 LYS HG3 1 10 ILE H 4.500 . 5.200 4.819 4.680 4.993 . 0 0 "[ . 1 . 2]" 1
1231 1 9 LYS HG3 1 60 GLY HA2 4.500 . 5.200 4.119 3.306 5.288 0.088 18 0 "[ . 1 . 2]" 1
1232 1 9 LYS HG2 1 60 GLY HA3 4.500 . 5.200 3.257 2.645 5.137 . 0 0 "[ . 1 . 2]" 1
1233 1 9 LYS HG2 1 60 GLY HA2 4.500 . 5.200 2.863 2.036 4.798 . 0 0 "[ . 1 . 2]" 1
1234 1 9 LYS HG2 1 60 GLY H 4.500 . 5.200 3.698 3.207 5.442 0.242 15 0 "[ . 1 . 2]" 1
1235 1 9 LYS H 1 10 ILE H 4.500 . 5.200 4.488 4.358 4.556 . 0 0 "[ . 1 . 2]" 1
1236 1 10 ILE HB 1 12 CYS HA 5.200 . 6.000 6.034 5.439 6.166 0.166 4 0 "[ . 1 . 2]" 1
1237 1 10 ILE HB 1 12 CYS HB3 5.200 . 6.000 3.535 2.871 3.730 . 0 0 "[ . 1 . 2]" 1
1238 1 10 ILE HB 1 64 MET ME 5.200 . 6.000 4.747 4.194 5.428 . 0 0 "[ . 1 . 2]" 1
1239 1 10 ILE HB 1 73 PHE HA 5.200 . 6.000 6.021 5.707 6.241 0.241 10 0 "[ . 1 . 2]" 1
1240 1 10 ILE MD 1 12 CYS H 5.200 . 6.000 6.071 5.879 6.284 0.284 7 0 "[ . 1 . 2]" 1
1241 1 10 ILE MD 1 72 ALA H 5.200 . 6.000 5.143 4.050 6.104 0.104 18 0 "[ . 1 . 2]" 1
1242 1 10 ILE MD 1 75 LEU H 5.200 . 6.400 5.968 5.083 6.420 0.020 12 0 "[ . 1 . 2]" 1
1243 1 10 ILE MD 1 76 GLN HG3 5.200 . 6.000 4.328 2.376 6.094 0.094 6 0 "[ . 1 . 2]" 1
1244 1 10 ILE HG12 1 64 MET ME 5.200 . 6.200 6.395 6.194 6.638 0.438 19 0 "[ . 1 . 2]" 1
1245 1 10 ILE MG 1 75 LEU H 5.200 . 6.000 5.290 4.658 5.931 . 0 0 "[ . 1 . 2]" 1
1246 1 10 ILE H 1 11 LYS HA 5.200 . 6.000 4.935 4.747 5.049 . 0 0 "[ . 1 . 2]" 1
1247 1 10 ILE H 1 12 CYS H 5.200 . 6.000 5.741 5.440 5.898 . 0 0 "[ . 1 . 2]" 1
1248 1 10 ILE H 1 58 TYR HB3 5.200 . 6.000 4.535 4.058 6.027 0.027 3 0 "[ . 1 . 2]" 1
1249 1 10 ILE H 1 60 GLY HA2 5.200 . 6.000 3.635 3.472 3.820 . 0 0 "[ . 1 . 2]" 1
1250 1 11 LYS HA 1 11 LYS HD3 5.200 . 6.000 4.597 4.520 4.724 . 0 0 "[ . 1 . 2]" 1
1251 1 11 LYS HA 1 58 TYR H 5.200 . 6.000 3.869 3.735 4.066 . 0 0 "[ . 1 . 2]" 1
1252 1 11 LYS HB3 1 57 GLY HA3 5.200 . 6.000 5.525 5.108 5.732 . 0 0 "[ . 1 . 2]" 1
1253 1 11 LYS HB3 1 58 TYR HA 5.200 . 6.000 4.349 3.883 4.755 . 0 0 "[ . 1 . 2]" 1
1254 1 11 LYS HB3 1 58 TYR H 5.200 . 6.000 5.105 4.733 5.454 . 0 0 "[ . 1 . 2]" 1
1255 1 11 LYS HB2 1 58 TYR H 5.200 . 6.200 6.336 6.119 6.493 0.293 5 0 "[ . 1 . 2]" 1
1256 1 11 LYS HB2 1 96 LEU MD1 5.200 . 6.000 5.435 4.171 6.061 0.061 12 0 "[ . 1 . 2]" 1
1257 1 11 LYS HD3 1 97 GLY HA3 5.200 . 6.000 5.000 3.895 5.720 . 0 0 "[ . 1 . 2]" 1
1258 1 11 LYS HE3 1 97 GLY H 5.200 . 6.000 5.814 4.078 6.219 0.219 13 0 "[ . 1 . 2]" 1
1259 1 11 LYS HE2 1 97 GLY H 5.200 . 6.000 4.552 3.736 6.201 0.201 4 0 "[ . 1 . 2]" 1
1260 1 11 LYS QE 1 57 GLY HA3 5.200 . 6.000 5.521 5.147 6.079 0.079 1 0 "[ . 1 . 2]" 1
1261 1 12 CYS HA 1 95 ARG H 5.200 . 6.000 4.852 4.757 5.037 . 0 0 "[ . 1 . 2]" 1
1262 1 12 CYS HB3 1 72 ALA MB 5.200 . 6.000 3.313 2.869 3.696 . 0 0 "[ . 1 . 2]" 1
1263 1 12 CYS HB3 1 93 ILE MD 5.200 . 6.000 5.331 4.785 5.864 . 0 0 "[ . 1 . 2]" 1
1264 1 12 CYS HB2 1 56 LEU MD1 5.200 . 6.000 4.791 4.415 5.482 . 0 0 "[ . 1 . 2]" 1
1265 1 12 CYS HB2 1 72 ALA MB 5.200 . 6.000 3.748 3.313 4.482 . 0 0 "[ . 1 . 2]" 1
1266 1 12 CYS H 1 56 LEU HB2 5.200 . 6.000 3.507 3.030 3.890 . 0 0 "[ . 1 . 2]" 1
1267 1 12 CYS H 1 96 LEU HG 5.200 . 6.000 5.431 3.679 5.841 . 0 0 "[ . 1 . 2]" 1
1268 1 12 CYS H 1 96 LEU H 5.200 . 6.000 4.020 3.895 4.287 . 0 0 "[ . 1 . 2]" 1
1269 1 13 SER QB 1 55 SER H 5.200 . 6.000 3.513 2.739 3.924 . 0 0 "[ . 1 . 2]" 1
1270 1 13 SER H 1 56 LEU HB3 5.200 . 6.400 6.433 6.168 6.663 0.263 3 0 "[ . 1 . 2]" 1
1271 1 13 SER H 1 56 LEU MD1 5.200 . 6.000 4.434 3.980 5.078 . 0 0 "[ . 1 . 2]" 1
1272 1 13 SER H 1 56 LEU HG 5.200 . 6.000 5.149 4.704 5.632 . 0 0 "[ . 1 . 2]" 1
1273 1 13 SER H 1 57 GLY H 5.200 . 6.000 5.020 4.803 5.129 . 0 0 "[ . 1 . 2]" 1
1274 1 14 HIS HA 1 15 ILE HB 5.200 . 6.000 4.346 4.276 4.461 . 0 0 "[ . 1 . 2]" 1
1275 1 14 HIS HA 1 15 ILE HG12 5.200 . 6.000 5.061 4.924 5.226 . 0 0 "[ . 1 . 2]" 1
1276 1 14 HIS HA 1 92 VAL H 5.200 . 6.000 4.221 4.096 4.372 . 0 0 "[ . 1 . 2]" 1
1277 1 14 HIS H 1 55 SER H 5.200 . 6.000 4.664 4.310 4.991 . 0 0 "[ . 1 . 2]" 1
1278 1 14 HIS H 1 56 LEU HB3 5.200 . 6.000 5.510 5.132 5.820 . 0 0 "[ . 1 . 2]" 1
1279 1 14 HIS H 1 56 LEU HB2 5.200 . 6.000 4.488 3.897 4.860 . 0 0 "[ . 1 . 2]" 1
1280 1 15 ILE HA 1 40 ALA MB 5.200 . 6.000 3.784 3.357 4.110 . 0 0 "[ . 1 . 2]" 1
1281 1 15 ILE HA 1 44 SER H 5.200 . 6.000 4.845 4.215 5.295 . 0 0 "[ . 1 . 2]" 1
1282 1 15 ILE MD 1 36 PHE HB2 5.200 . 6.000 4.641 4.430 4.764 . 0 0 "[ . 1 . 2]" 1
1283 1 15 ILE MD 1 36 PHE QD 5.200 . 6.000 3.197 3.030 3.307 . 0 0 "[ . 1 . 2]" 1
1284 1 15 ILE MD 1 44 SER HB2 5.200 . 6.000 5.511 3.996 6.035 0.035 9 0 "[ . 1 . 2]" 1
1285 1 15 ILE HG13 1 16 LEU H 5.200 . 6.000 4.950 4.857 5.030 . 0 0 "[ . 1 . 2]" 1
1286 1 15 ILE HG13 1 44 SER HB3 5.200 . 6.000 5.415 4.229 5.926 . 0 0 "[ . 1 . 2]" 1
1287 1 15 ILE HG13 1 44 SER H 5.200 . 6.000 6.001 5.599 6.310 0.310 9 0 "[ . 1 . 2]" 1
1288 1 15 ILE HG12 1 44 SER HB2 5.200 . 6.000 4.504 2.753 5.045 . 0 0 "[ . 1 . 2]" 1
1289 1 15 ILE MG 1 45 ILE MG 5.200 . 6.000 5.054 4.729 5.367 . 0 0 "[ . 1 . 2]" 1
1290 1 15 ILE H 1 15 ILE HG13 5.200 . 6.000 2.945 2.803 3.093 . 0 0 "[ . 1 . 2]" 1
1291 1 15 ILE H 1 16 LEU H 5.200 . 6.000 4.241 4.195 4.282 . 0 0 "[ . 1 . 2]" 1
1292 1 15 ILE H 1 93 ILE HA 5.200 . 6.000 3.581 3.400 3.701 . 0 0 "[ . 1 . 2]" 1
1293 1 16 LEU HB2 1 45 ILE HG13 5.200 . 6.000 4.045 2.724 4.510 . 0 0 "[ . 1 . 2]" 1
1294 1 16 LEU HB2 1 46 ASP HB3 5.200 . 6.000 3.069 2.303 3.649 . 0 0 "[ . 1 . 2]" 1
1295 1 16 LEU MD1 1 45 ILE HG13 5.200 . 6.000 3.695 2.516 4.200 . 0 0 "[ . 1 . 2]" 1
1296 1 16 LEU MD1 1 45 ILE MG 5.200 . 6.000 4.973 3.495 5.439 . 0 0 "[ . 1 . 2]" 1
1297 1 16 LEU MD1 1 45 ILE H 5.200 . 6.000 4.691 3.198 5.007 . 0 0 "[ . 1 . 2]" 1
1298 1 16 LEU MD1 1 91 HIS HB2 5.200 . 6.000 4.749 3.999 5.978 . 0 0 "[ . 1 . 2]" 1
1299 1 16 LEU MD2 1 45 ILE HG13 5.200 . 6.000 2.479 1.974 4.506 0.026 2 0 "[ . 1 . 2]" 1
1300 1 16 LEU MD2 1 45 ILE MG 5.200 . 6.000 4.396 3.498 5.748 . 0 0 "[ . 1 . 2]" 1
1301 1 16 LEU MD2 1 45 ILE H 5.200 . 6.000 4.042 3.242 5.155 . 0 0 "[ . 1 . 2]" 1
1302 1 16 LEU HG 1 46 ASP HB3 5.200 . 6.400 5.168 4.135 6.062 . 0 0 "[ . 1 . 2]" 1
1303 1 16 LEU H 1 44 SER H 5.200 . 6.000 4.811 4.129 5.334 . 0 0 "[ . 1 . 2]" 1
1304 1 16 LEU QD 1 90 TYR HB2 5.200 . 6.000 4.035 3.517 4.467 . 0 0 "[ . 1 . 2]" 1
1305 1 16 LEU QD 1 91 HIS HB3 5.200 . 6.000 3.757 3.325 4.941 . 0 0 "[ . 1 . 2]" 1
1306 1 16 LEU QD 1 92 VAL H 5.200 . 6.000 4.512 4.168 5.531 . 0 0 "[ . 1 . 2]" 1
1307 1 17 VAL HA 1 18 LYS HB3 5.200 . 6.000 5.533 4.675 5.737 . 0 0 "[ . 1 . 2]" 1
1308 1 17 VAL HA 1 18 LYS HB2 5.200 . 6.000 4.802 4.578 5.747 . 0 0 "[ . 1 . 2]" 1
1309 1 17 VAL HB 1 45 ILE MG 5.200 . 6.000 4.604 4.167 5.018 . 0 0 "[ . 1 . 2]" 1
1310 1 17 VAL MG1 1 44 SER HB2 5.200 . 6.000 5.266 4.311 5.990 . 0 0 "[ . 1 . 2]" 1
1311 1 17 VAL MG2 1 90 TYR HA 5.200 . 6.000 4.252 3.966 4.592 . 0 0 "[ . 1 . 2]" 1
1312 1 17 VAL MG2 1 91 HIS HA 5.200 . 6.000 3.649 3.122 4.085 . 0 0 "[ . 1 . 2]" 1
1313 1 17 VAL H 1 23 ALA HA 5.200 . 6.000 5.558 5.187 5.879 . 0 0 "[ . 1 . 2]" 1
1314 1 18 LYS HA 1 18 LYS QE 5.200 . 6.000 4.744 3.831 5.528 . 0 0 "[ . 1 . 2]" 1
1315 1 18 LYS HA 1 90 TYR HB2 5.200 . 6.000 4.400 3.837 4.697 . 0 0 "[ . 1 . 2]" 1
1316 1 18 LYS HB3 1 19 LYS H 5.200 . 6.000 3.714 3.506 4.413 . 0 0 "[ . 1 . 2]" 1
1317 1 18 LYS HB3 1 45 ILE MD 5.200 . 6.000 4.159 2.649 4.734 . 0 0 "[ . 1 . 2]" 1
1318 1 18 LYS HB2 1 45 ILE MD 5.200 . 6.000 4.443 4.082 4.795 . 0 0 "[ . 1 . 2]" 1
1319 1 18 LYS QG 1 45 ILE MG 5.200 . 6.000 2.420 1.972 3.866 0.028 9 0 "[ . 1 . 2]" 1
1320 1 18 LYS H 1 18 LYS HE3 5.200 . 6.000 4.793 3.867 5.802 . 0 0 "[ . 1 . 2]" 1
1321 1 18 LYS H 1 18 LYS HE2 5.200 . 6.000 5.056 3.469 5.980 . 0 0 "[ . 1 . 2]" 1
1322 1 18 LYS H 1 45 ILE H 5.200 . 6.000 5.253 4.879 5.520 . 0 0 "[ . 1 . 2]" 1
1323 1 18 LYS H 1 90 TYR H 5.200 . 6.000 5.252 4.670 5.847 . 0 0 "[ . 1 . 2]" 1
1324 1 19 LYS HA 1 19 LYS HD3 5.200 . 6.000 3.795 1.944 4.671 0.056 18 0 "[ . 1 . 2]" 1
1325 1 19 LYS HA 1 19 LYS HD2 5.200 . 6.000 4.084 2.521 4.797 . 0 0 "[ . 1 . 2]" 1
1326 1 19 LYS HB2 1 19 LYS HE3 5.200 . 6.000 4.501 3.375 5.551 . 0 0 "[ . 1 . 2]" 1
1327 1 19 LYS HB2 1 19 LYS HE2 5.200 . 6.000 4.406 2.127 5.538 . 0 0 "[ . 1 . 2]" 1
1328 1 20 GLN H 1 23 ALA H 5.200 . 6.000 4.630 4.499 4.747 . 0 0 "[ . 1 . 2]" 1
1329 1 21 GLY HA2 1 22 GLU HB3 5.200 . 6.400 6.548 6.531 6.574 0.174 12 0 "[ . 1 . 2]" 1
1330 1 21 GLY HA2 1 22 GLU HG3 5.200 . 6.000 5.440 5.343 5.615 . 0 0 "[ . 1 . 2]" 1
1331 1 21 GLY HA2 1 23 ALA H 5.200 . 6.000 4.331 4.193 4.441 . 0 0 "[ . 1 . 2]" 1
1332 1 21 GLY HA2 1 25 ALA H 5.200 . 6.000 3.830 3.628 4.073 . 0 0 "[ . 1 . 2]" 1
1333 1 22 GLU HA 1 24 LEU H 5.200 . 6.000 4.504 4.364 4.659 . 0 0 "[ . 1 . 2]" 1
1334 1 22 GLU HA 1 26 VAL MG2 5.200 . 6.000 4.769 4.480 5.194 . 0 0 "[ . 1 . 2]" 1
1335 1 22 GLU HB3 1 26 VAL H 5.200 . 6.000 4.897 4.652 5.083 . 0 0 "[ . 1 . 2]" 1
1336 1 22 GLU HB2 1 26 VAL MG2 5.200 . 6.000 5.168 4.930 5.494 . 0 0 "[ . 1 . 2]" 1
1337 1 22 GLU H 1 26 VAL MG1 5.200 . 6.000 5.835 5.531 6.108 0.108 1 0 "[ . 1 . 2]" 1
1338 1 23 ALA HA 1 27 GLN H 5.200 . 6.000 4.085 3.895 4.200 . 0 0 "[ . 1 . 2]" 1
1339 1 23 ALA MB 1 26 VAL H 5.200 . 6.000 4.744 4.630 4.834 . 0 0 "[ . 1 . 2]" 1
1340 1 24 LEU MD1 1 27 GLN H 5.200 . 6.200 5.553 4.721 6.346 0.146 19 0 "[ . 1 . 2]" 1
1341 1 24 LEU MD2 1 27 GLN HB2 5.200 . 6.000 3.594 2.943 4.161 . 0 0 "[ . 1 . 2]" 1
1342 1 24 LEU MD2 1 27 GLN HG3 5.200 . 6.000 4.145 2.757 4.829 . 0 0 "[ . 1 . 2]" 1
1343 1 25 ALA H 1 26 VAL HA 5.200 . 6.000 5.383 5.349 5.424 . 0 0 "[ . 1 . 2]" 1
1344 1 25 ALA H 1 28 GLU H 5.200 . 6.000 4.679 4.573 4.924 . 0 0 "[ . 1 . 2]" 1
1345 1 26 VAL HB 1 27 GLN H 5.200 . 6.000 3.852 3.713 3.969 . 0 0 "[ . 1 . 2]" 1
1346 1 26 VAL HB 1 39 LEU MD2 5.200 . 6.000 4.455 3.846 5.541 . 0 0 "[ . 1 . 2]" 1
1347 1 26 VAL MG1 1 27 GLN HA 5.200 . 6.000 5.442 5.342 5.507 . 0 0 "[ . 1 . 2]" 1
1348 1 26 VAL MG1 1 29 ARG H 5.200 . 6.000 4.945 4.754 5.232 . 0 0 "[ . 1 . 2]" 1
1349 1 26 VAL MG2 1 30 LEU H 5.200 . 6.000 4.780 4.586 4.966 . 0 0 "[ . 1 . 2]" 1
1350 1 26 VAL H 1 27 GLN HG3 5.200 . 6.200 5.293 4.361 6.599 0.399 13 0 "[ . 1 . 2]" 1
1351 1 27 GLN HA 1 80 VAL MG1 5.200 . 6.000 2.278 2.002 2.745 . 0 0 "[ . 1 . 2]" 1
1352 1 27 GLN HE21 1 80 VAL MG2 5.200 . 6.000 5.359 4.459 6.060 0.060 8 0 "[ . 1 . 2]" 1
1353 1 27 GLN HE21 1 81 SER H 5.200 . 6.000 4.587 3.559 5.898 . 0 0 "[ . 1 . 2]" 1
1354 1 27 GLN HE21 1 82 GLU H 5.200 . 6.000 4.275 3.352 5.691 . 0 0 "[ . 1 . 2]" 1
1355 1 27 GLN HE21 1 83 PRO HD3 5.200 . 6.000 3.851 3.371 4.697 . 0 0 "[ . 1 . 2]" 1
1356 1 27 GLN HG3 1 28 GLU H 5.200 . 6.000 4.465 2.964 5.097 . 0 0 "[ . 1 . 2]" 1
1357 1 27 GLN H 1 27 GLN HE21 5.200 . 6.000 5.356 4.222 5.945 . 0 0 "[ . 1 . 2]" 1
1358 1 28 GLU H 1 29 ARG HB2 5.200 . 6.000 4.888 4.590 5.104 . 0 0 "[ . 1 . 2]" 1
1359 1 28 GLU H 1 31 LYS H 5.200 . 6.000 4.892 4.551 5.145 . 0 0 "[ . 1 . 2]" 1
1360 1 29 ARG HA 1 30 LEU HA 5.200 . 6.000 4.812 4.760 4.874 . 0 0 "[ . 1 . 2]" 1
1361 1 29 ARG HG3 1 32 ALA H 5.200 . 6.000 4.636 4.062 5.074 . 0 0 "[ . 1 . 2]" 1
1362 1 29 ARG HG2 1 32 ALA MB 5.200 . 6.000 3.563 3.233 4.733 . 0 0 "[ . 1 . 2]" 1
1363 1 29 ARG H 1 29 ARG HG3 5.200 . 6.000 4.424 4.332 4.501 . 0 0 "[ . 1 . 2]" 1
1364 1 29 ARG H 1 29 ARG HG2 5.200 . 6.000 4.505 4.420 4.660 . 0 0 "[ . 1 . 2]" 1
1365 1 29 ARG H 1 32 ALA H 5.200 . 6.000 4.924 4.392 5.340 . 0 0 "[ . 1 . 2]" 1
1366 1 30 LEU HB2 1 32 ALA H 5.200 . 6.000 5.111 4.723 5.522 . 0 0 "[ . 1 . 2]" 1
1367 1 30 LEU HB2 1 80 VAL MG1 5.200 . 6.000 3.305 2.687 3.866 . 0 0 "[ . 1 . 2]" 1
1368 1 30 LEU MD2 1 31 LYS H 5.200 . 6.000 4.333 4.073 4.818 . 0 0 "[ . 1 . 2]" 1
1369 1 30 LEU HG 1 94 LYS HB2 5.200 . 6.000 3.933 3.324 4.658 . 0 0 "[ . 1 . 2]" 1
1370 1 30 LEU H 1 39 LEU MD1 5.200 . 6.000 4.437 3.408 5.473 . 0 0 "[ . 1 . 2]" 1
1371 1 30 LEU H 1 39 LEU MD2 5.200 . 6.000 4.721 4.126 5.976 . 0 0 "[ . 1 . 2]" 1
1372 1 30 LEU H 1 39 LEU HG 5.200 . 6.000 4.400 3.678 5.866 . 0 0 "[ . 1 . 2]" 1
1373 1 31 LYS HB3 1 32 ALA HA 5.200 . 6.000 4.740 4.363 4.995 . 0 0 "[ . 1 . 2]" 1
1374 1 31 LYS HB2 1 32 ALA HA 5.200 . 6.000 4.266 3.844 5.066 . 0 0 "[ . 1 . 2]" 1
1375 1 31 LYS HB2 1 33 GLY H 5.200 . 6.000 4.839 4.626 5.046 . 0 0 "[ . 1 . 2]" 1
1376 1 31 LYS HD3 1 80 VAL MG1 5.200 . 6.000 4.799 4.148 5.273 . 0 0 "[ . 1 . 2]" 1
1377 1 31 LYS HD2 1 80 VAL MG1 5.200 . 6.000 5.875 4.387 6.247 0.247 18 0 "[ . 1 . 2]" 1
1378 1 31 LYS H 1 33 GLY H 5.200 . 6.000 4.013 3.792 4.218 . 0 0 "[ . 1 . 2]" 1
1379 1 31 LYS H 1 80 VAL MG2 5.200 . 6.000 4.559 3.937 5.016 . 0 0 "[ . 1 . 2]" 1
1380 1 32 ALA MB 1 34 GLU HG2 5.200 . 6.000 3.519 2.164 3.955 . 0 0 "[ . 1 . 2]" 1
1381 1 32 ALA MB 1 39 LEU MD2 5.200 . 6.000 4.940 4.481 5.302 . 0 0 "[ . 1 . 2]" 1
1382 1 32 ALA H 1 34 GLU HG3 5.200 . 6.000 4.807 4.382 5.312 . 0 0 "[ . 1 . 2]" 1
1383 1 32 ALA H 1 34 GLU HG2 5.200 . 6.200 6.055 4.570 6.465 0.265 5 0 "[ . 1 . 2]" 1
1384 1 35 LYS HA 1 36 PHE HB2 5.200 . 6.000 4.403 4.154 4.554 . 0 0 "[ . 1 . 2]" 1
1385 1 35 LYS HA 1 39 LEU MD2 5.200 . 6.000 4.759 4.320 5.609 . 0 0 "[ . 1 . 2]" 1
1386 1 35 LYS HA 1 39 LEU H 5.200 . 6.000 5.261 5.069 5.393 . 0 0 "[ . 1 . 2]" 1
1387 1 35 LYS QD 1 37 GLY H 5.200 . 6.000 4.061 2.939 4.697 . 0 0 "[ . 1 . 2]" 1
1388 1 35 LYS QG 1 37 GLY H 5.200 . 6.000 2.847 1.899 4.668 0.101 9 0 "[ . 1 . 2]" 1
1389 1 35 LYS H 1 35 LYS QE 5.200 . 6.000 5.520 3.100 6.117 0.117 6 0 "[ . 1 . 2]" 1
1390 1 35 LYS H 1 37 GLY H 5.200 . 6.000 5.692 5.550 5.885 . 0 0 "[ . 1 . 2]" 1
1391 1 35 LYS H 1 39 LEU H 5.200 . 6.000 4.977 4.698 5.205 . 0 0 "[ . 1 . 2]" 1
1392 1 36 PHE QD 1 37 GLY H 5.200 . 6.000 3.520 3.406 3.636 . 0 0 "[ . 1 . 2]" 1
1393 1 37 GLY HA2 1 53 ASP HA 5.200 . 6.000 3.022 2.277 3.757 . 0 0 "[ . 1 . 2]" 1
1394 1 37 GLY H 1 39 LEU H 5.200 . 6.000 4.243 4.130 4.347 . 0 0 "[ . 1 . 2]" 1
1395 1 38 LYS HA 1 38 LYS QE 5.200 . 6.000 4.791 4.581 5.165 . 0 0 "[ . 1 . 2]" 1
1396 1 38 LYS HA 1 41 LYS QE 5.200 . 6.000 5.049 3.081 6.081 0.081 15 0 "[ . 1 . 2]" 1
1397 1 38 LYS HA 1 41 LYS HG3 5.200 . 6.000 4.000 3.092 5.689 . 0 0 "[ . 1 . 2]" 1
1398 1 38 LYS HA 1 41 LYS HG2 5.200 . 6.000 4.806 2.440 6.069 0.069 18 0 "[ . 1 . 2]" 1
1399 1 38 LYS HE3 1 39 LEU MD2 5.200 . 6.000 4.861 3.671 5.505 . 0 0 "[ . 1 . 2]" 1
1400 1 38 LYS HE2 1 39 LEU MD2 5.200 . 6.000 4.863 4.063 5.709 . 0 0 "[ . 1 . 2]" 1
1401 1 38 LYS QG 1 39 LEU H 5.200 . 6.000 3.583 3.351 4.117 . 0 0 "[ . 1 . 2]" 1
1402 1 38 LYS H 1 41 LYS H 5.200 . 6.000 4.648 4.541 4.855 . 0 0 "[ . 1 . 2]" 1
1403 1 39 LEU HB2 1 41 LYS H 5.200 . 6.000 5.250 5.157 5.376 . 0 0 "[ . 1 . 2]" 1
1404 1 39 LEU HB2 1 42 GLU H 5.200 . 6.000 5.436 5.200 5.610 . 0 0 "[ . 1 . 2]" 1
1405 1 39 LEU MD1 1 44 SER H 5.200 . 6.000 5.295 4.614 6.120 0.120 16 0 "[ . 1 . 2]" 1
1406 1 39 LEU MD2 1 40 ALA MB 5.200 . 6.000 5.238 5.083 5.459 . 0 0 "[ . 1 . 2]" 1
1407 1 39 LEU MD2 1 42 GLU H 5.200 . 6.000 4.763 4.112 5.076 . 0 0 "[ . 1 . 2]" 1
1408 1 39 LEU H 1 42 GLU QG 5.200 . 6.000 5.087 3.996 6.165 0.165 9 0 "[ . 1 . 2]" 1
1409 1 40 ALA HA 1 42 GLU H 5.200 . 6.000 4.419 4.170 4.612 . 0 0 "[ . 1 . 2]" 1
1410 1 40 ALA MB 1 41 LYS QG 5.200 . 6.000 3.248 2.908 4.964 . 0 0 "[ . 1 . 2]" 1
1411 1 40 ALA H 1 42 GLU HB3 5.200 . 6.400 6.379 4.805 6.643 0.243 8 0 "[ . 1 . 2]" 1
1412 1 40 ALA H 1 43 LEU MD1 5.200 . 6.000 5.166 4.425 6.071 0.071 15 0 "[ . 1 . 2]" 1
1413 1 40 ALA H 1 43 LEU H 5.200 . 6.000 4.801 4.550 5.183 . 0 0 "[ . 1 . 2]" 1
1414 1 40 ALA H 1 53 ASP HB2 5.200 . 6.000 6.102 4.924 6.452 0.452 2 0 "[ . 1 . 2]" 1
1415 1 41 LYS HA 1 41 LYS QE 5.200 . 6.000 4.541 3.854 5.114 . 0 0 "[ . 1 . 2]" 1
1416 1 41 LYS HB3 1 50 ALA MB 5.200 . 6.000 4.454 3.344 5.388 . 0 0 "[ . 1 . 2]" 1
1417 1 41 LYS HB2 1 50 ALA MB 5.200 . 6.000 5.042 4.101 6.028 0.028 12 0 "[ . 1 . 2]" 1
1418 1 41 LYS QD 1 42 GLU H 5.200 . 6.000 4.750 3.923 5.260 . 0 0 "[ . 1 . 2]" 1
1419 1 41 LYS H 1 41 LYS HD3 5.200 . 6.000 4.450 3.330 4.976 . 0 0 "[ . 1 . 2]" 1
1420 1 41 LYS H 1 41 LYS HD2 5.200 . 6.000 4.340 2.611 5.856 . 0 0 "[ . 1 . 2]" 1
1421 1 41 LYS H 1 50 ALA MB 5.200 . 6.000 4.610 4.193 5.636 . 0 0 "[ . 1 . 2]" 1
1422 1 41 LYS H 1 53 ASP HA 5.200 . 6.000 3.648 3.159 4.196 . 0 0 "[ . 1 . 2]" 1
1423 1 42 GLU HB2 1 44 SER H 5.200 . 6.000 5.001 4.522 5.950 . 0 0 "[ . 1 . 2]" 1
1424 1 43 LEU HB3 1 44 SER HA 5.200 . 6.000 4.336 3.273 5.682 . 0 0 "[ . 1 . 2]" 1
1425 1 43 LEU MD1 1 44 SER HB2 5.200 . 6.000 5.364 3.900 6.484 0.484 11 0 "[ . 1 . 2]" 1
1426 1 44 SER HA 1 50 ALA MB 5.200 . 6.000 5.324 4.055 6.027 0.027 13 0 "[ . 1 . 2]" 1
1427 1 44 SER HB3 1 45 ILE H 5.200 . 6.000 3.292 2.809 4.279 . 0 0 "[ . 1 . 2]" 1
1428 1 44 SER HB2 1 45 ILE HA 5.200 . 6.000 4.885 4.578 5.941 . 0 0 "[ . 1 . 2]" 1
1429 1 45 ILE HG13 1 46 ASP HB3 5.200 . 6.000 4.759 4.016 5.161 . 0 0 "[ . 1 . 2]" 1
1430 1 50 ALA H 1 51 LYS HA 5.200 . 6.000 5.165 5.072 5.221 . 0 0 "[ . 1 . 2]" 1
1431 1 50 ALA H 1 51 LYS HB3 5.200 . 6.000 6.029 5.851 6.127 0.127 18 0 "[ . 1 . 2]" 1
1432 1 50 ALA H 1 51 LYS QE 5.200 . 6.000 5.717 5.038 6.313 0.313 8 0 "[ . 1 . 2]" 1
1433 1 50 ALA H 1 51 LYS HG3 5.200 . 6.000 5.430 4.133 6.111 0.111 15 0 "[ . 1 . 2]" 1
1434 1 51 LYS HA 1 54 GLY H 5.200 . 6.000 5.820 4.979 6.069 0.069 7 0 "[ . 1 . 2]" 1
1435 1 51 LYS H 1 52 ARG HB3 5.200 . 6.000 6.120 5.898 6.220 0.220 14 0 "[ . 1 . 2]" 1
1436 1 51 LYS H 1 52 ARG QG 5.200 . 6.000 4.374 4.021 4.746 . 0 0 "[ . 1 . 2]" 1
1437 1 52 ARG HA 1 52 ARG HD3 5.200 . 6.000 4.360 1.951 4.832 0.049 16 0 "[ . 1 . 2]" 1
1438 1 52 ARG HA 1 52 ARG HD2 5.200 . 6.000 4.124 2.153 4.783 . 0 0 "[ . 1 . 2]" 1
1439 1 52 ARG HA 1 54 GLY H 5.200 . 6.000 4.534 4.301 4.778 . 0 0 "[ . 1 . 2]" 1
1440 1 52 ARG HB3 1 55 SER QB 5.200 . 6.000 3.065 2.263 4.011 . 0 0 "[ . 1 . 2]" 1
1441 1 52 ARG QD 1 55 SER QB 5.200 . 6.000 4.669 3.582 5.650 . 0 0 "[ . 1 . 2]" 1
1442 1 52 ARG QG 1 54 GLY H 5.200 . 6.000 4.952 4.526 5.429 . 0 0 "[ . 1 . 2]" 1
1443 1 52 ARG H 1 52 ARG HD3 5.200 . 6.000 4.690 4.070 5.382 . 0 0 "[ . 1 . 2]" 1
1444 1 52 ARG H 1 52 ARG HD2 5.200 . 6.000 4.826 3.894 5.192 . 0 0 "[ . 1 . 2]" 1
1445 1 52 ARG H 1 55 SER H 5.200 . 6.000 5.019 4.507 5.674 . 0 0 "[ . 1 . 2]" 1
1446 1 53 ASP HB3 1 54 GLY H 5.200 . 6.000 4.444 4.325 4.639 . 0 0 "[ . 1 . 2]" 1
1447 1 53 ASP HB2 1 54 GLY H 5.200 . 6.000 4.161 3.961 4.553 . 0 0 "[ . 1 . 2]" 1
1448 1 53 ASP HB2 1 55 SER H 5.200 . 6.000 3.199 2.664 4.760 . 0 0 "[ . 1 . 2]" 1
1449 1 53 ASP H 1 55 SER H 5.200 . 6.000 4.156 3.900 4.511 . 0 0 "[ . 1 . 2]" 1
1450 1 54 GLY H 1 55 SER HA 5.200 . 6.000 5.315 5.179 5.568 . 0 0 "[ . 1 . 2]" 1
1451 1 54 GLY H 1 56 LEU MD2 5.200 . 6.000 5.109 4.602 5.460 . 0 0 "[ . 1 . 2]" 1
1452 1 55 SER HA 1 56 LEU MD1 5.200 . 6.000 5.211 4.908 5.425 . 0 0 "[ . 1 . 2]" 1
1453 1 55 SER H 1 56 LEU H 5.200 . 6.000 4.078 3.844 4.540 . 0 0 "[ . 1 . 2]" 1
1454 1 56 LEU HB2 1 64 MET ME 5.200 . 6.000 4.042 3.430 4.905 . 0 0 "[ . 1 . 2]" 1
1455 1 56 LEU MD1 1 59 PHE QD 5.200 . 6.000 3.630 2.873 4.265 . 0 0 "[ . 1 . 2]" 1
1456 1 56 LEU MD1 1 93 ILE MD 5.200 . 6.000 4.296 3.890 4.574 . 0 0 "[ . 1 . 2]" 1
1457 1 56 LEU MD1 1 96 LEU MD2 5.200 . 6.000 6.023 5.296 6.172 0.172 7 0 "[ . 1 . 2]" 1
1458 1 56 LEU H 1 57 GLY HA2 5.200 . 6.000 4.748 4.214 4.887 . 0 0 "[ . 1 . 2]" 1
1459 1 57 GLY HA3 1 58 TYR HB2 5.200 . 6.000 5.150 4.648 5.753 . 0 0 "[ . 1 . 2]" 1
1460 1 57 GLY HA3 1 96 LEU MD2 5.200 . 6.000 3.639 2.978 4.336 . 0 0 "[ . 1 . 2]" 1
1461 1 57 GLY H 1 96 LEU MD2 5.200 . 6.000 2.972 2.214 3.421 . 0 0 "[ . 1 . 2]" 1
1462 1 57 GLY H 1 96 LEU HG 5.200 . 6.000 5.634 4.565 6.031 0.031 8 0 "[ . 1 . 2]" 1
1463 1 58 TYR HA 1 59 PHE QD 5.200 . 6.000 3.749 3.487 4.009 . 0 0 "[ . 1 . 2]" 1
1464 1 61 ARG HA 1 61 ARG HD3 5.200 . 6.000 4.683 4.436 5.085 . 0 0 "[ . 1 . 2]" 1
1465 1 61 ARG HA 1 61 ARG HD2 5.200 . 6.000 4.479 3.845 4.865 . 0 0 "[ . 1 . 2]" 1
1466 1 61 ARG HB3 1 62 GLY QA 5.200 . 6.000 3.875 3.627 5.254 . 0 0 "[ . 1 . 2]" 1
1467 1 61 ARG H 1 62 GLY HA3 5.200 . 6.000 5.422 5.321 5.595 . 0 0 "[ . 1 . 2]" 1
1468 1 61 ARG H 1 62 GLY HA2 5.200 . 6.000 6.173 6.005 6.254 0.254 1 0 "[ . 1 . 2]" 1
1469 1 62 GLY H 1 63 LYS QB 5.200 . 6.000 4.643 4.065 5.126 . 0 0 "[ . 1 . 2]" 1
1470 1 63 LYS HA 1 63 LYS HE3 5.200 . 6.000 4.906 3.313 6.035 0.035 10 0 "[ . 1 . 2]" 1
1471 1 63 LYS HA 1 63 LYS HE2 5.200 . 6.000 4.691 2.093 6.111 0.111 11 0 "[ . 1 . 2]" 1
1472 1 64 MET ME 1 65 VAL MG2 5.200 . 6.000 5.088 4.013 5.795 . 0 0 "[ . 1 . 2]" 1
1473 1 64 MET ME 1 93 ILE MG 5.200 . 6.000 4.929 4.469 5.783 . 0 0 "[ . 1 . 2]" 1
1474 1 64 MET QG 1 65 VAL MG2 5.200 . 6.000 5.001 3.950 5.551 . 0 0 "[ . 1 . 2]" 1
1475 1 65 VAL MG1 1 67 PRO HG2 5.200 . 6.000 4.499 4.155 5.041 . 0 0 "[ . 1 . 2]" 1
1476 1 65 VAL MG1 1 88 PHE HB3 5.200 . 6.000 5.759 5.166 6.201 0.201 10 0 "[ . 1 . 2]" 1
1477 1 65 VAL MG2 1 69 GLU HA 5.200 . 6.000 5.847 5.654 5.968 . 0 0 "[ . 1 . 2]" 1
1478 1 65 VAL MG2 1 71 ALA MB 5.200 . 6.000 5.533 5.174 5.786 . 0 0 "[ . 1 . 2]" 1
1479 1 65 VAL MG2 1 86 SER HA 5.200 . 6.000 3.720 2.944 4.541 . 0 0 "[ . 1 . 2]" 1
1480 1 65 VAL H 1 68 PHE H 5.200 . 6.000 4.372 3.953 4.868 . 0 0 "[ . 1 . 2]" 1
1481 1 66 LYS HA 1 66 LYS QE 5.200 . 6.000 3.994 1.973 5.169 0.027 16 0 "[ . 1 . 2]" 1
1482 1 66 LYS HA 1 68 PHE H 5.200 . 6.000 4.237 4.112 4.446 . 0 0 "[ . 1 . 2]" 1
1483 1 66 LYS HB2 1 67 PRO HA 5.200 . 6.000 4.995 4.398 5.749 . 0 0 "[ . 1 . 2]" 1
1484 1 66 LYS HG3 1 67 PRO HD2 5.200 . 6.000 5.108 4.227 5.927 . 0 0 "[ . 1 . 2]" 1
1485 1 66 LYS HG2 1 67 PRO HD2 5.200 . 6.000 4.864 3.683 5.867 . 0 0 "[ . 1 . 2]" 1
1486 1 67 PRO HB3 1 84 VAL MG2 5.200 . 6.000 4.919 4.156 5.705 . 0 0 "[ . 1 . 2]" 1
1487 1 67 PRO HB3 1 86 SER HA 5.200 . 6.000 5.156 3.487 6.121 0.121 6 0 "[ . 1 . 2]" 1
1488 1 67 PRO HG2 1 86 SER HA 5.200 . 6.000 3.509 2.084 4.312 . 0 0 "[ . 1 . 2]" 1
1489 1 67 PRO HG2 1 86 SER H 5.200 . 6.000 5.701 4.727 6.128 0.128 4 0 "[ . 1 . 2]" 1
1490 1 68 PHE HB3 1 72 ALA MB 5.200 . 6.000 4.847 4.479 5.128 . 0 0 "[ . 1 . 2]" 1
1491 1 68 PHE HB2 1 84 VAL MG1 5.200 . 6.000 3.364 2.424 4.061 . 0 0 "[ . 1 . 2]" 1
1492 1 68 PHE H 1 93 ILE MD 5.200 . 6.000 4.696 4.269 5.037 . 0 0 "[ . 1 . 2]" 1
1493 1 69 GLU HB2 1 72 ALA H 5.200 . 6.000 5.393 5.219 5.640 . 0 0 "[ . 1 . 2]" 1
1494 1 69 GLU H 1 69 GLU QG 5.200 . 6.000 2.256 2.139 2.348 . 0 0 "[ . 1 . 2]" 1
1495 1 69 GLU H 1 84 VAL MG1 5.200 . 6.000 4.923 4.399 5.665 . 0 0 "[ . 1 . 2]" 1
1496 1 70 ASP HA 1 74 ARG QD 5.200 . 6.000 4.753 3.370 6.069 0.069 1 0 "[ . 1 . 2]" 1
1497 1 70 ASP HB3 1 71 ALA HA 5.200 . 6.000 4.248 3.981 4.512 . 0 0 "[ . 1 . 2]" 1
1498 1 70 ASP HB2 1 71 ALA HA 5.200 . 6.000 5.487 4.738 5.664 . 0 0 "[ . 1 . 2]" 1
1499 1 70 ASP QB 1 72 ALA H 5.200 . 6.000 4.601 4.454 4.780 . 0 0 "[ . 1 . 2]" 1
1500 1 70 ASP H 1 73 PHE H 5.200 . 6.000 4.767 4.570 4.928 . 0 0 "[ . 1 . 2]" 1
1501 1 71 ALA HA 1 74 ARG HA 5.200 . 6.000 5.437 5.054 6.019 0.019 16 0 "[ . 1 . 2]" 1
1502 1 71 ALA HA 1 84 VAL MG2 5.200 . 6.000 4.238 3.716 4.676 . 0 0 "[ . 1 . 2]" 1
1503 1 71 ALA MB 1 81 SER HA 5.200 . 6.000 4.183 3.406 4.714 . 0 0 "[ . 1 . 2]" 1
1504 1 72 ALA HA 1 75 LEU H 5.200 . 6.400 3.740 3.453 3.906 . 0 0 "[ . 1 . 2]" 1
1505 1 72 ALA H 1 73 PHE QE 5.200 . 6.000 6.043 5.831 6.134 0.134 1 0 "[ . 1 . 2]" 1
1506 1 72 ALA H 1 84 VAL MG2 5.200 . 6.000 4.831 4.468 5.342 . 0 0 "[ . 1 . 2]" 1
1507 1 73 PHE HA 1 74 ARG HA 5.200 . 6.000 4.785 4.697 4.868 . 0 0 "[ . 1 . 2]" 1
1508 1 73 PHE HA 1 74 ARG QB 5.200 . 6.000 5.380 5.226 5.483 . 0 0 "[ . 1 . 2]" 1
1509 1 74 ARG HA 1 74 ARG HD3 5.200 . 6.000 4.465 3.575 4.804 . 0 0 "[ . 1 . 2]" 1
1510 1 74 ARG HA 1 74 ARG HD2 5.200 . 6.000 4.337 2.011 4.753 . 0 0 "[ . 1 . 2]" 1
1511 1 74 ARG HA 1 75 LEU MD2 5.200 . 6.000 4.601 4.149 5.296 . 0 0 "[ . 1 . 2]" 1
1512 1 74 ARG QD 1 75 LEU H 5.200 . 6.000 5.025 4.676 5.612 . 0 0 "[ . 1 . 2]" 1
1513 1 74 ARG QG 1 75 LEU H 5.200 . 6.000 4.206 3.871 4.325 . 0 0 "[ . 1 . 2]" 1
1514 1 74 ARG H 1 74 ARG QG 5.200 . 6.000 2.433 2.037 3.884 . 0 0 "[ . 1 . 2]" 1
1515 1 74 ARG H 1 75 LEU MD1 5.200 . 6.000 5.408 4.894 5.942 . 0 0 "[ . 1 . 2]" 1
1516 1 74 ARG H 1 75 LEU MD2 5.200 . 6.000 4.905 3.508 5.466 . 0 0 "[ . 1 . 2]" 1
1517 1 74 ARG H 1 76 GLN HG3 5.200 . 6.000 4.884 4.297 6.027 0.027 4 0 "[ . 1 . 2]" 1
1518 1 74 ARG H 1 76 GLN HG2 5.200 . 6.000 5.666 4.633 6.176 0.176 2 0 "[ . 1 . 2]" 1
1519 1 75 LEU HA 1 77 VAL H 5.200 . 6.000 3.017 2.674 3.336 . 0 0 "[ . 1 . 2]" 1
1520 1 75 LEU MD1 1 78 GLY HA3 5.200 . 6.400 6.425 6.055 6.658 0.258 4 0 "[ . 1 . 2]" 1
1521 1 75 LEU MD1 1 79 GLU HG3 5.200 . 6.000 5.031 3.148 6.008 0.008 6 0 "[ . 1 . 2]" 1
1522 1 75 LEU MD1 1 79 GLU HG2 5.200 . 6.000 5.073 2.251 6.041 0.041 4 0 "[ . 1 . 2]" 1
1523 1 75 LEU MD1 1 80 VAL MG1 5.200 . 6.000 3.989 3.665 4.360 . 0 0 "[ . 1 . 2]" 1
1524 1 75 LEU MD1 1 82 GLU HG3 5.200 . 6.000 5.417 4.215 6.140 0.140 4 0 "[ . 1 . 2]" 1
1525 1 75 LEU MD2 1 77 VAL H 5.200 . 6.000 4.413 3.877 4.980 . 0 0 "[ . 1 . 2]" 1
1526 1 75 LEU MD2 1 78 GLY H 5.200 . 6.000 4.279 3.793 4.641 . 0 0 "[ . 1 . 2]" 1
1527 1 75 LEU MD2 1 79 GLU HG3 5.200 . 6.000 4.080 3.202 6.044 0.044 16 0 "[ . 1 . 2]" 1
1528 1 75 LEU MD2 1 79 GLU HG2 5.200 . 6.000 4.292 3.408 5.855 . 0 0 "[ . 1 . 2]" 1
1529 1 75 LEU HG 1 81 SER QB 5.200 . 6.000 3.546 2.784 4.675 . 0 0 "[ . 1 . 2]" 1
1530 1 75 LEU H 1 77 VAL H 5.200 . 6.000 4.862 4.573 5.094 . 0 0 "[ . 1 . 2]" 1
1531 1 76 GLN H 1 79 GLU H 5.200 . 6.000 5.505 5.070 5.845 . 0 0 "[ . 1 . 2]" 1
1532 1 77 VAL MG1 1 79 GLU QG 5.200 . 6.000 2.919 1.835 5.666 0.165 2 0 "[ . 1 . 2]" 1
1533 1 78 GLY HA3 1 79 GLU HB3 5.200 . 6.000 6.120 5.229 6.381 0.381 2 0 "[ . 1 . 2]" 1
1534 1 78 GLY HA3 1 79 GLU QG 5.200 . 6.000 5.221 4.057 6.304 0.304 19 0 "[ . 1 . 2]" 1
1535 1 78 GLY HA2 1 95 ARG H 5.200 . 6.000 3.394 2.346 4.190 . 0 0 "[ . 1 . 2]" 1
1536 1 78 GLY H 1 95 ARG H 5.200 . 6.000 4.575 3.922 5.366 . 0 0 "[ . 1 . 2]" 1
1537 1 79 GLU HB2 1 80 VAL HA 5.200 . 6.000 5.499 4.803 6.012 0.012 11 0 "[ . 1 . 2]" 1
1538 1 79 GLU H 1 94 LYS QE 5.200 . 6.000 5.585 4.956 6.170 0.170 8 0 "[ . 1 . 2]" 1
1539 1 7 ALA HA 1 11 LYS HG3 5.200 . 6.000 5.069 4.454 5.972 . 0 0 "[ . 1 . 2]" 1
1540 1 80 VAL HA 1 94 LYS HB3 5.200 . 6.000 4.602 4.064 5.156 . 0 0 "[ . 1 . 2]" 1
1541 1 80 VAL MG1 1 94 LYS HB3 5.200 . 6.000 4.412 3.567 5.160 . 0 0 "[ . 1 . 2]" 1
1542 1 81 SER HA 1 82 GLU HG3 5.200 . 6.000 4.058 3.779 4.600 . 0 0 "[ . 1 . 2]" 1
1543 1 81 SER HA 1 93 ILE HB 5.200 . 6.000 4.768 4.321 5.080 . 0 0 "[ . 1 . 2]" 1
1544 1 81 SER HA 1 93 ILE MD 5.200 . 6.000 5.633 4.998 6.044 0.044 18 0 "[ . 1 . 2]" 1
1545 1 82 GLU HA 1 83 PRO HG2 5.200 . 6.000 4.841 4.464 5.024 . 0 0 "[ . 1 . 2]" 1
1546 1 82 GLU H 1 83 PRO HD2 5.200 . 6.000 4.953 4.727 5.118 . 0 0 "[ . 1 . 2]" 1
1547 1 83 PRO HA 1 84 VAL HB 5.200 . 6.000 4.549 4.374 4.771 . 0 0 "[ . 1 . 2]" 1
1548 1 83 PRO HA 1 85 LYS H 5.200 . 6.000 5.790 5.526 6.063 0.063 14 0 "[ . 1 . 2]" 1
1549 1 84 VAL MG1 1 91 HIS HA 5.200 . 6.000 5.301 5.044 5.628 . 0 0 "[ . 1 . 2]" 1
1550 1 84 VAL MG2 1 92 VAL H 5.200 . 6.000 5.105 4.453 5.862 . 0 0 "[ . 1 . 2]" 1
1551 1 84 VAL MG2 1 93 ILE MG 5.200 . 6.000 4.534 4.064 5.014 . 0 0 "[ . 1 . 2]" 1
1552 1 84 VAL H 1 93 ILE MD 5.200 . 6.000 5.289 4.925 5.579 . 0 0 "[ . 1 . 2]" 1
1553 1 85 LYS HD3 1 90 TYR QE 5.200 . 6.000 3.791 2.455 4.988 . 0 0 "[ . 1 . 2]" 1
1554 1 85 LYS HD2 1 90 TYR QE 5.200 . 6.000 3.441 2.059 5.057 . 0 0 "[ . 1 . 2]" 1
1555 1 85 LYS QE 1 86 SER H 5.200 . 6.000 4.336 3.422 4.922 . 0 0 "[ . 1 . 2]" 1
1556 1 85 LYS H 1 85 LYS HD3 5.200 . 6.000 4.956 4.409 5.295 . 0 0 "[ . 1 . 2]" 1
1557 1 85 LYS H 1 85 LYS HD2 5.200 . 6.000 5.038 4.755 5.468 . 0 0 "[ . 1 . 2]" 1
1558 1 85 LYS H 1 90 TYR HA 5.200 . 6.000 4.554 4.253 4.803 . 0 0 "[ . 1 . 2]" 1
1559 1 85 LYS H 1 90 TYR QE 5.200 . 6.000 4.214 3.425 5.163 . 0 0 "[ . 1 . 2]" 1
1560 1 86 SER H 1 88 PHE HB3 5.200 . 6.000 6.146 6.032 6.279 0.279 8 0 "[ . 1 . 2]" 1
1561 1 87 GLU HA 1 89 GLY H 5.200 . 6.000 4.394 4.184 4.600 . 0 0 "[ . 1 . 2]" 1
1562 1 87 GLU H 1 87 GLU HG2 5.200 . 6.000 2.582 1.834 4.522 0.166 14 0 "[ . 1 . 2]" 1
1563 1 91 HIS HA 1 92 VAL HA 5.200 . 6.000 4.436 4.409 4.458 . 0 0 "[ . 1 . 2]" 1
1564 1 91 HIS HB3 1 93 ILE MD 5.200 . 6.000 3.721 3.107 4.399 . 0 0 "[ . 1 . 2]" 1
1565 1 91 HIS HB3 1 93 ILE HG12 5.200 . 6.000 3.597 3.184 3.897 . 0 0 "[ . 1 . 2]" 1
1566 1 91 HIS HB2 1 92 VAL MG2 5.200 . 6.000 5.073 4.905 5.180 . 0 0 "[ . 1 . 2]" 1
1567 1 91 HIS HB2 1 93 ILE MD 5.200 . 6.000 3.267 2.782 3.759 . 0 0 "[ . 1 . 2]" 1
1568 1 91 HIS HB2 1 93 ILE HG13 5.200 . 6.000 3.143 2.679 3.547 . 0 0 "[ . 1 . 2]" 1
1569 1 91 HIS HB2 1 93 ILE HG12 5.200 . 6.000 4.175 3.633 4.631 . 0 0 "[ . 1 . 2]" 1
1570 1 92 VAL H 1 93 ILE H 5.200 . 6.000 4.231 4.102 4.276 . 0 0 "[ . 1 . 2]" 1
1571 1 94 LYS HA 1 94 LYS QD 5.200 . 6.000 3.676 2.105 3.996 . 0 0 "[ . 1 . 2]" 1
1572 1 94 LYS HA 1 94 LYS HE3 5.200 . 6.000 5.474 4.307 6.047 0.047 1 0 "[ . 1 . 2]" 1
1573 1 94 LYS HA 1 94 LYS HE2 5.200 . 6.000 5.264 4.463 6.046 0.046 18 0 "[ . 1 . 2]" 1
1574 1 94 LYS HA 1 95 ARG QB 5.200 . 6.000 4.106 4.014 4.216 . 0 0 "[ . 1 . 2]" 1
1575 1 94 LYS HB2 1 94 LYS HE3 5.200 . 6.000 4.706 4.264 4.943 . 0 0 "[ . 1 . 2]" 1
1576 1 94 LYS HB2 1 94 LYS HE2 5.200 . 6.000 4.571 4.204 4.934 . 0 0 "[ . 1 . 2]" 1
1577 1 94 LYS H 1 95 ARG H 5.200 . 6.000 4.378 4.329 4.436 . 0 0 "[ . 1 . 2]" 1
1578 1 95 ARG HA 1 97 GLY H 5.200 . 6.400 6.083 5.814 6.327 . 0 0 "[ . 1 . 2]" 1
1579 1 9 LYS HA 1 10 ILE MG 5.200 . 6.000 5.401 4.998 5.563 . 0 0 "[ . 1 . 2]" 1
1580 1 9 LYS HA 1 11 LYS HG3 5.200 . 6.400 6.297 6.044 6.581 0.181 2 0 "[ . 1 . 2]" 1
1581 1 9 LYS HA 1 58 TYR HB2 5.200 . 6.000 5.635 4.850 6.081 0.081 15 0 "[ . 1 . 2]" 1
1582 1 9 LYS HA 1 9 LYS HE3 5.200 . 6.000 5.264 4.334 6.080 0.080 4 0 "[ . 1 . 2]" 1
1583 1 9 LYS HA 1 9 LYS HE2 5.200 . 6.000 5.515 4.465 6.085 0.085 19 0 "[ . 1 . 2]" 1
1584 1 9 LYS HE3 1 58 TYR HB3 5.200 . 6.000 5.697 4.874 6.119 0.119 16 0 "[ . 1 . 2]" 1
1585 1 9 LYS HE3 1 60 GLY HA2 5.200 . 6.000 5.124 4.064 6.240 0.240 12 0 "[ . 1 . 2]" 1
1586 1 9 LYS HE2 1 58 TYR HB3 5.200 . 6.000 5.527 4.469 6.071 0.071 18 0 "[ . 1 . 2]" 1
1587 1 9 LYS HE2 1 60 GLY HA2 5.200 . 6.000 5.634 3.602 6.115 0.115 14 0 "[ . 1 . 2]" 1
1588 1 9 LYS H 1 11 LYS HG3 5.200 . 6.000 5.767 5.150 6.106 0.106 2 0 "[ . 1 . 2]" 1
1589 1 9 LYS H 1 60 GLY HA3 5.200 . 6.000 6.110 5.883 6.243 0.243 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 1019
_Distance_constraint_stats_list.Viol_total 2191.284
_Distance_constraint_stats_list.Viol_max 1.973
_Distance_constraint_stats_list.Viol_rms 0.1925
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0730
_Distance_constraint_stats_list.Viol_average_violations_only 0.1075
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 ILE 6.034 0.231 13 0 "[ . 1 . 2]"
1 11 LYS 3.138 0.176 18 0 "[ . 1 . 2]"
1 12 CYS 1.726 0.114 8 0 "[ . 1 . 2]"
1 13 SER 4.228 0.191 1 0 "[ . 1 . 2]"
1 14 HIS 35.066 1.973 7 20 [******+*********-***]
1 15 ILE 3.992 0.160 8 0 "[ . 1 . 2]"
1 16 LEU 1.518 0.160 9 0 "[ . 1 . 2]"
1 17 VAL 4.180 0.191 9 0 "[ . 1 . 2]"
1 19 LYS 1.718 0.137 6 0 "[ . 1 . 2]"
1 20 GLN 1.668 0.134 1 0 "[ . 1 . 2]"
1 21 GLY 1.652 0.158 1 0 "[ . 1 . 2]"
1 22 GLU 0.653 0.104 13 0 "[ . 1 . 2]"
1 23 ALA 2.307 0.137 6 0 "[ . 1 . 2]"
1 24 LEU 3.408 0.188 1 0 "[ . 1 . 2]"
1 25 ALA 2.656 0.158 1 0 "[ . 1 . 2]"
1 26 VAL 3.084 0.152 17 0 "[ . 1 . 2]"
1 27 GLN 0.589 0.072 10 0 "[ . 1 . 2]"
1 28 GLU 1.740 0.188 1 0 "[ . 1 . 2]"
1 29 ARG 1.004 0.125 16 0 "[ . 1 . 2]"
1 30 LEU 2.431 0.152 17 0 "[ . 1 . 2]"
1 35 LYS 2.602 0.195 6 0 "[ . 1 . 2]"
1 36 PHE 1.935 0.175 16 0 "[ . 1 . 2]"
1 37 GLY 2.332 0.142 2 0 "[ . 1 . 2]"
1 38 LYS 0.670 0.097 10 0 "[ . 1 . 2]"
1 39 LEU 5.332 0.195 6 0 "[ . 1 . 2]"
1 40 ALA 1.935 0.175 16 0 "[ . 1 . 2]"
1 41 LYS 2.332 0.142 2 0 "[ . 1 . 2]"
1 42 GLU 0.670 0.097 10 0 "[ . 1 . 2]"
1 43 LEU 2.730 0.195 16 0 "[ . 1 . 2]"
1 45 ILE 1.518 0.160 9 0 "[ . 1 . 2]"
1 46 ASP 32.748 1.973 7 20 [******+*********-***]
1 47 GLY 5.236 0.247 20 0 "[ . 1 . 2]"
1 50 ALA 5.236 0.247 20 0 "[ . 1 . 2]"
1 54 GLY 1.654 0.186 15 0 "[ . 1 . 2]"
1 57 GLY 1.726 0.114 8 0 "[ . 1 . 2]"
1 59 PHE 6.034 0.231 13 0 "[ . 1 . 2]"
1 65 VAL 1.242 0.124 20 0 "[ . 1 . 2]"
1 66 LYS 2.420 0.166 13 0 "[ . 1 . 2]"
1 67 PRO 0.991 0.093 18 0 "[ . 1 . 2]"
1 68 PHE 0.592 0.110 15 0 "[ . 1 . 2]"
1 69 GLU 2.132 0.126 1 0 "[ . 1 . 2]"
1 70 ASP 2.420 0.166 13 0 "[ . 1 . 2]"
1 71 ALA 0.991 0.093 18 0 "[ . 1 . 2]"
1 72 ALA 0.592 0.110 15 0 "[ . 1 . 2]"
1 73 PHE 0.890 0.126 1 0 "[ . 1 . 2]"
1 75 LEU 4.431 0.249 6 0 "[ . 1 . 2]"
1 78 GLY 4.431 0.249 6 0 "[ . 1 . 2]"
1 84 VAL 5.542 0.211 7 0 "[ . 1 . 2]"
1 86 SER 6.615 0.236 17 0 "[ . 1 . 2]"
1 89 GLY 2.971 0.188 2 0 "[ . 1 . 2]"
1 90 TYR 4.180 0.191 9 0 "[ . 1 . 2]"
1 91 HIS 9.849 0.236 17 0 "[ . 1 . 2]"
1 92 VAL 3.992 0.160 8 0 "[ . 1 . 2]"
1 94 LYS 4.228 0.191 1 0 "[ . 1 . 2]"
1 96 LEU 3.138 0.176 18 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 86 SER HG 1 91 HIS NE2 1.850 . 1.950 1.843 1.664 2.080 0.130 19 0 "[ . 1 . 2]" 2
2 1 86 SER OG 1 91 HIS NE2 2.850 2.750 2.950 2.603 2.514 2.677 0.236 17 0 "[ . 1 . 2]" 2
3 1 14 HIS ND1 1 91 HIS HD1 1.850 . 1.950 1.929 1.817 2.076 0.126 14 0 "[ . 1 . 2]" 2
4 1 14 HIS ND1 1 91 HIS ND1 2.850 2.750 2.950 2.893 2.763 3.010 0.060 13 0 "[ . 1 . 2]" 2
5 1 14 HIS NE2 1 46 ASP OD1 2.850 2.750 2.950 4.587 3.853 4.923 1.973 7 20 [******+*********-***] 2
6 1 10 ILE H 1 59 PHE O 1.850 . 1.950 1.674 1.565 1.771 0.185 13 0 "[ . 1 . 2]" 2
7 1 10 ILE N 1 59 PHE O 2.850 2.750 2.950 2.613 2.519 2.694 0.231 13 0 "[ . 1 . 2]" 2
8 1 12 CYS H 1 57 GLY O 1.850 . 1.950 1.899 1.727 2.034 0.084 18 0 "[ . 1 . 2]" 2
9 1 12 CYS N 1 57 GLY O 2.850 2.750 2.950 2.834 2.692 2.972 0.058 7 0 "[ . 1 . 2]" 2
10 1 13 SER H 1 94 LYS O 1.850 . 1.950 1.713 1.605 1.785 0.145 1 0 "[ . 1 . 2]" 2
11 1 13 SER N 1 94 LYS O 2.850 2.750 2.950 2.651 2.559 2.748 0.191 1 0 "[ . 1 . 2]" 2
12 1 14 HIS H 1 54 GLY O 1.850 . 1.950 1.811 1.662 2.021 0.088 3 0 "[ . 1 . 2]" 2
13 1 14 HIS N 1 54 GLY O 2.850 2.750 2.950 2.702 2.564 2.844 0.186 15 0 "[ . 1 . 2]" 2
14 1 15 ILE H 1 92 VAL O 1.850 . 1.950 1.753 1.690 1.795 0.060 2 0 "[ . 1 . 2]" 2
15 1 15 ILE N 1 92 VAL O 2.850 2.750 2.950 2.674 2.624 2.723 0.126 2 0 "[ . 1 . 2]" 2
16 1 17 VAL H 1 90 TYR O 1.850 . 1.950 1.662 1.589 1.744 0.161 9 0 "[ . 1 . 2]" 2
17 1 17 VAL N 1 90 TYR O 2.850 2.750 2.950 2.629 2.559 2.696 0.191 9 0 "[ . 1 . 2]" 2
18 1 19 LYS O 1 23 ALA H 1.850 . 1.950 2.018 1.908 2.087 0.137 6 0 "[ . 1 . 2]" 2
19 1 19 LYS O 1 23 ALA N 2.850 2.750 2.950 2.942 2.806 3.017 0.067 4 0 "[ . 1 . 2]" 2
20 1 20 GLN O 1 24 LEU H 1.850 . 1.950 1.765 1.671 1.970 0.079 5 0 "[ . 1 . 2]" 2
21 1 20 GLN O 1 24 LEU N 2.850 2.750 2.950 2.712 2.616 2.875 0.134 1 0 "[ . 1 . 2]" 2
22 1 21 GLY O 1 25 ALA H 1.850 . 1.950 1.770 1.710 1.895 0.040 9 0 "[ . 1 . 2]" 2
23 1 21 GLY O 1 25 ALA N 2.850 2.750 2.950 2.679 2.592 2.820 0.158 1 0 "[ . 1 . 2]" 2
24 1 22 GLU O 1 26 VAL H 1.850 . 1.950 1.938 1.763 2.054 0.104 13 0 "[ . 1 . 2]" 2
25 1 22 GLU O 1 26 VAL N 2.850 2.750 2.950 2.892 2.730 2.985 0.035 1 0 "[ . 1 . 2]" 2
26 1 23 ALA O 1 27 GLN H 1.850 . 1.950 1.932 1.738 2.022 0.072 10 0 "[ . 1 . 2]" 2
27 1 23 ALA O 1 27 GLN N 2.850 2.750 2.950 2.851 2.679 2.962 0.071 3 0 "[ . 1 . 2]" 2
28 1 24 LEU O 1 28 GLU H 1.850 . 1.950 1.769 1.603 1.998 0.147 1 0 "[ . 1 . 2]" 2
29 1 24 LEU O 1 28 GLU N 2.850 2.750 2.950 2.725 2.562 2.976 0.188 1 0 "[ . 1 . 2]" 2
30 1 25 ALA O 1 29 ARG H 1.850 . 1.950 1.831 1.718 2.013 0.063 14 0 "[ . 1 . 2]" 2
31 1 25 ALA O 1 29 ARG N 2.850 2.750 2.950 2.737 2.625 2.960 0.125 16 0 "[ . 1 . 2]" 2
32 1 26 VAL O 1 30 LEU H 1.850 . 1.950 1.744 1.682 1.826 0.068 17 0 "[ . 1 . 2]" 2
33 1 26 VAL O 1 30 LEU N 2.850 2.750 2.950 2.647 2.598 2.757 0.152 17 0 "[ . 1 . 2]" 2
34 1 35 LYS O 1 39 LEU H 1.850 . 1.950 2.032 1.863 2.145 0.195 6 0 "[ . 1 . 2]" 2
35 1 35 LYS O 1 39 LEU N 2.850 2.750 2.950 2.976 2.794 3.098 0.148 6 0 "[ . 1 . 2]" 2
36 1 36 PHE O 1 40 ALA H 1.850 . 1.950 1.765 1.688 1.887 0.062 16 0 "[ . 1 . 2]" 2
37 1 36 PHE O 1 40 ALA N 2.850 2.750 2.950 2.663 2.575 2.752 0.175 16 0 "[ . 1 . 2]" 2
38 1 37 GLY O 1 41 LYS H 1.850 . 1.950 1.747 1.648 2.015 0.102 1 0 "[ . 1 . 2]" 2
39 1 37 GLY O 1 41 LYS N 2.850 2.750 2.950 2.708 2.608 2.979 0.142 2 0 "[ . 1 . 2]" 2
40 1 38 LYS O 1 42 GLU H 1.850 . 1.950 1.841 1.734 2.021 0.071 16 0 "[ . 1 . 2]" 2
41 1 38 LYS O 1 42 GLU N 2.850 2.750 2.950 2.757 2.653 2.950 0.097 10 0 "[ . 1 . 2]" 2
42 1 39 LEU O 1 43 LEU H 1.850 . 1.950 1.768 1.616 2.099 0.149 6 0 "[ . 1 . 2]" 2
43 1 39 LEU O 1 43 LEU N 2.850 2.750 2.950 2.705 2.555 3.011 0.195 16 0 "[ . 1 . 2]" 2
44 1 16 LEU O 1 45 ILE H 1.850 . 1.950 1.778 1.655 1.980 0.095 1 0 "[ . 1 . 2]" 2
45 1 16 LEU O 1 45 ILE N 2.850 2.750 2.950 2.713 2.590 2.918 0.160 9 0 "[ . 1 . 2]" 2
46 1 47 GLY O 1 50 ALA H 1.850 . 1.950 2.145 2.048 2.197 0.247 20 0 "[ . 1 . 2]" 2
47 1 47 GLY O 1 50 ALA N 2.850 2.750 2.950 2.684 2.630 2.773 0.120 12 0 "[ . 1 . 2]" 2
48 1 12 CYS O 1 57 GLY H 1.850 . 1.950 1.977 1.736 2.064 0.114 8 0 "[ . 1 . 2]" 2
49 1 12 CYS O 1 57 GLY N 2.850 2.750 2.950 2.876 2.663 2.979 0.087 1 0 "[ . 1 . 2]" 2
50 1 10 ILE O 1 59 PHE H 1.850 . 1.950 2.036 1.967 2.125 0.175 1 0 "[ . 1 . 2]" 2
51 1 10 ILE O 1 59 PHE N 2.850 2.750 2.950 2.836 2.733 2.980 0.030 18 0 "[ . 1 . 2]" 2
52 1 65 VAL O 1 69 GLU H 1.850 . 1.950 1.977 1.759 2.074 0.124 20 0 "[ . 1 . 2]" 2
53 1 65 VAL O 1 69 GLU N 2.850 2.750 2.950 2.918 2.703 3.017 0.067 20 0 "[ . 1 . 2]" 2
54 1 66 LYS O 1 70 ASP H 1.850 . 1.950 1.735 1.634 1.950 0.116 20 0 "[ . 1 . 2]" 2
55 1 66 LYS O 1 70 ASP N 2.850 2.750 2.950 2.684 2.584 2.925 0.166 13 0 "[ . 1 . 2]" 2
56 1 67 PRO O 1 71 ALA H 1.850 . 1.950 1.958 1.780 2.043 0.093 18 0 "[ . 1 . 2]" 2
57 1 67 PRO O 1 71 ALA N 2.850 2.750 2.950 2.900 2.690 3.004 0.060 2 0 "[ . 1 . 2]" 2
58 1 68 PHE O 1 72 ALA H 1.850 . 1.950 1.871 1.735 1.980 0.030 18 0 "[ . 1 . 2]" 2
59 1 68 PHE O 1 72 ALA N 2.850 2.750 2.950 2.790 2.640 2.930 0.110 15 0 "[ . 1 . 2]" 2
60 1 69 GLU O 1 73 PHE H 1.850 . 1.950 1.814 1.659 2.025 0.091 1 0 "[ . 1 . 2]" 2
61 1 69 GLU O 1 73 PHE N 2.850 2.750 2.950 2.778 2.624 2.985 0.126 1 0 "[ . 1 . 2]" 2
62 1 75 LEU O 1 78 GLY H 1.850 . 1.950 1.680 1.529 1.799 0.221 6 0 "[ . 1 . 2]" 2
63 1 75 LEU O 1 78 GLY N 2.850 2.750 2.950 2.603 2.501 2.728 0.249 6 0 "[ . 1 . 2]" 2
64 1 84 VAL H 1 91 HIS O 1.850 . 1.950 1.843 1.666 2.071 0.121 12 0 "[ . 1 . 2]" 2
65 1 84 VAL N 1 91 HIS O 2.850 2.750 2.950 2.732 2.587 2.918 0.163 18 0 "[ . 1 . 2]" 2
66 1 86 SER H 1 89 GLY O 1.850 . 1.950 1.773 1.647 1.987 0.103 3 0 "[ . 1 . 2]" 2
67 1 86 SER N 1 89 GLY O 2.850 2.750 2.950 2.632 2.562 2.749 0.188 2 0 "[ . 1 . 2]" 2
68 1 84 VAL O 1 91 HIS H 1.850 . 1.950 1.689 1.589 1.846 0.161 7 0 "[ . 1 . 2]" 2
69 1 84 VAL O 1 91 HIS N 2.850 2.750 2.950 2.633 2.539 2.745 0.211 7 0 "[ . 1 . 2]" 2
70 1 15 ILE O 1 92 VAL H 1.850 . 1.950 1.763 1.695 1.825 0.055 8 0 "[ . 1 . 2]" 2
71 1 15 ILE O 1 92 VAL N 2.850 2.750 2.950 2.648 2.590 2.704 0.160 8 0 "[ . 1 . 2]" 2
72 1 13 SER O 1 94 LYS H 1.850 . 1.950 1.759 1.675 1.955 0.075 1 0 "[ . 1 . 2]" 2
73 1 13 SER O 1 94 LYS N 2.850 2.750 2.950 2.719 2.635 2.919 0.115 16 0 "[ . 1 . 2]" 2
74 1 11 LYS O 1 96 LEU H 1.850 . 1.950 1.716 1.627 2.006 0.123 8 0 "[ . 1 . 2]" 2
75 1 11 LYS O 1 96 LEU N 2.850 2.750 2.950 2.668 2.574 2.964 0.176 18 0 "[ . 1 . 2]" 2
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