NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576289 |
2m2l   |
18920 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2l
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 996
_Distance_constraint_stats_list.Viol_count 2943
_Distance_constraint_stats_list.Viol_total 3639.364
_Distance_constraint_stats_list.Viol_max 0.553
_Distance_constraint_stats_list.Viol_rms 0.0296
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_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 7 HIS 0.508 0.108 4 0 "[ . 1 . 2]"
1 8 GLU 0.349 0.065 4 0 "[ . 1 . 2]"
1 9 VAL 3.214 0.355 15 0 "[ . 1 . 2]"
1 10 PRO 3.598 0.553 11 2 "[ - 1+ . 2]"
1 11 GLN 4.878 0.553 11 2 "[ - 1+ . 2]"
1 12 THR 4.582 0.206 3 0 "[ . 1 . 2]"
1 13 PHE 4.888 0.288 8 0 "[ . 1 . 2]"
1 14 GLU 2.551 0.259 9 0 "[ . 1 . 2]"
1 15 VAL 14.214 0.341 14 0 "[ . 1 . 2]"
1 16 GLU 3.035 0.140 18 0 "[ . 1 . 2]"
1 17 ARG 5.205 0.160 8 0 "[ . 1 . 2]"
1 18 ILE 13.401 0.204 14 0 "[ . 1 . 2]"
1 19 VAL 8.283 0.153 20 0 "[ . 1 . 2]"
1 20 ARG 14.587 0.399 20 0 "[ . 1 . 2]"
1 21 LYS 7.307 0.342 20 0 "[ . 1 . 2]"
1 22 LYS 6.633 0.152 17 0 "[ . 1 . 2]"
1 23 ILE 12.697 0.146 7 0 "[ . 1 . 2]"
1 24 VAL 2.744 0.050 18 0 "[ . 1 . 2]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 6.092 0.141 13 0 "[ . 1 . 2]"
1 28 THR 6.091 0.164 10 0 "[ . 1 . 2]"
1 29 SER 6.534 0.142 10 0 "[ . 1 . 2]"
1 30 TYR 12.271 0.283 20 0 "[ . 1 . 2]"
1 31 LEU 5.828 0.399 20 0 "[ . 1 . 2]"
1 32 VAL 9.298 0.274 14 0 "[ . 1 . 2]"
1 33 LYS 5.137 0.229 8 0 "[ . 1 . 2]"
1 34 TRP 6.166 0.184 7 0 "[ . 1 . 2]"
1 35 LYS 1.994 0.088 9 0 "[ . 1 . 2]"
1 36 ASN 3.280 0.224 11 0 "[ . 1 . 2]"
1 37 TYR 2.017 0.170 6 0 "[ . 1 . 2]"
1 38 SER 0.793 0.070 15 0 "[ . 1 . 2]"
1 39 SER 1.919 0.229 8 0 "[ . 1 . 2]"
1 40 LYS 5.740 0.282 7 0 "[ . 1 . 2]"
1 41 ASP 2.590 0.184 7 0 "[ . 1 . 2]"
1 42 ASN 7.388 0.327 19 0 "[ . 1 . 2]"
1 43 THR 2.789 0.226 7 0 "[ . 1 . 2]"
1 44 TRP 6.585 0.293 20 0 "[ . 1 . 2]"
1 45 GLU 7.329 0.274 14 0 "[ . 1 . 2]"
1 46 THR 3.893 0.283 20 0 "[ . 1 . 2]"
1 47 GLU 5.987 0.152 3 0 "[ . 1 . 2]"
1 48 ASP 8.179 0.164 10 0 "[ . 1 . 2]"
1 49 ASP 3.811 0.188 18 0 "[ . 1 . 2]"
1 50 ILE 9.842 0.447 12 0 "[ . 1 . 2]"
1 51 ARG 11.153 0.366 10 0 "[ . 1 . 2]"
1 52 THR 3.985 0.128 17 0 "[ . 1 . 2]"
1 53 LYS 7.004 0.447 12 0 "[ . 1 . 2]"
1 54 TYR 5.505 0.155 10 0 "[ . 1 . 2]"
1 55 GLY 3.901 0.366 10 0 "[ . 1 . 2]"
1 56 ASP 0.051 0.035 14 0 "[ . 1 . 2]"
1 57 LEU 11.056 0.267 13 0 "[ . 1 . 2]"
1 58 VAL 7.039 0.185 12 0 "[ . 1 . 2]"
1 59 ASP 1.249 0.132 13 0 "[ . 1 . 2]"
1 60 ASP 3.985 0.149 2 0 "[ . 1 . 2]"
1 61 PHE 7.842 0.267 13 0 "[ . 1 . 2]"
1 62 GLU 1.282 0.165 13 0 "[ . 1 . 2]"
1 63 LYS 4.723 0.261 13 0 "[ . 1 . 2]"
1 64 ASN 2.894 0.215 13 0 "[ . 1 . 2]"
1 65 GLN 3.471 0.144 13 0 "[ . 1 . 2]"
1 66 LYS 5.684 0.202 2 0 "[ . 1 . 2]"
1 67 LYS 1.168 0.121 5 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 7 HIS HA 1 8 GLU H 3.500 . 3.500 2.856 2.213 3.556 0.056 17 0 "[ . 1 . 2]" 1
2 1 7 HIS QB 1 8 GLU H 3.500 . 3.500 2.434 1.981 3.246 . 0 0 "[ . 1 . 2]" 1
3 1 7 HIS QB 1 9 VAL H 5.500 . 5.500 4.015 2.365 5.519 0.019 20 0 "[ . 1 . 2]" 1
4 1 7 HIS QB 1 9 VAL HB 5.500 . 5.500 4.613 3.274 5.608 0.108 4 0 "[ . 1 . 2]" 1
5 1 8 GLU H 1 8 GLU QB . . 3.500 2.731 2.110 3.425 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLU H 1 9 VAL H 5.500 . 5.500 3.613 2.560 4.624 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU HA 1 8 GLU QB 2.800 . 2.800 2.390 2.170 2.539 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLU HA 1 9 VAL H 2.800 . 2.800 2.555 2.140 2.865 0.065 4 0 "[ . 1 . 2]" 1
9 1 8 GLU QB 1 9 VAL H . . 4.500 3.477 1.956 4.017 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL H 1 9 VAL HB 3.500 . 3.500 3.122 2.403 3.579 0.079 15 0 "[ . 1 . 2]" 1
11 1 9 VAL H 1 9 VAL MG1 4.500 . 4.500 3.926 3.664 4.064 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL HA 1 9 VAL MG1 2.800 . 2.800 2.307 1.953 2.458 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL HB 1 11 GLN QE 5.500 . 5.500 4.666 3.924 5.629 0.129 15 0 "[ . 1 . 2]" 1
14 1 9 VAL HB 1 13 PHE H 5.500 . 5.500 4.278 2.980 5.618 0.118 15 0 "[ . 1 . 2]" 1
15 1 9 VAL HB 1 13 PHE QB 5.500 . 5.500 4.862 3.167 5.641 0.141 12 0 "[ . 1 . 2]" 1
16 1 9 VAL HB 1 14 GLU H 4.500 . 4.500 4.405 3.880 4.571 0.071 6 0 "[ . 1 . 2]" 1
17 1 9 VAL MG1 1 11 GLN H . . 4.500 3.133 2.603 4.855 0.355 15 0 "[ . 1 . 2]" 1
18 1 9 VAL MG1 1 11 GLN QB 4.500 . 4.500 3.736 2.423 4.663 0.163 1 0 "[ . 1 . 2]" 1
19 1 9 VAL MG1 1 11 GLN QE 5.500 . 5.500 3.199 2.014 5.573 0.073 11 0 "[ . 1 . 2]" 1
20 1 9 VAL MG1 1 12 THR H 5.500 . 5.500 2.723 1.815 4.451 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL MG1 1 13 PHE QB 4.500 . 4.500 3.793 2.488 4.561 0.061 10 0 "[ . 1 . 2]" 1
22 1 9 VAL MG1 1 13 PHE QD 4.500 . 4.500 4.424 4.035 4.596 0.096 9 0 "[ . 1 . 2]" 1
23 1 10 PRO HA 1 11 GLN H 2.800 . 2.800 2.602 2.372 3.353 0.553 11 2 "[ - 1+ . 2]" 1
24 1 10 PRO HA 1 11 GLN QE 3.500 . 3.500 3.568 3.200 3.859 0.359 15 0 "[ . 1 . 2]" 1
25 1 10 PRO QB 1 11 GLN H 4.500 . 4.500 3.851 2.449 4.003 . 0 0 "[ . 1 . 2]" 1
26 1 10 PRO QB 1 12 THR H 5.500 . 5.500 5.254 4.189 5.648 0.148 1 0 "[ . 1 . 2]" 1
27 1 11 GLN H 1 11 GLN HA 2.800 . 2.800 2.656 2.274 2.928 0.128 5 0 "[ . 1 . 2]" 1
28 1 11 GLN H 1 11 GLN QB 3.500 . 3.500 3.083 2.606 3.406 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLN H 1 12 THR H 3.500 . 3.500 2.374 1.858 3.330 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLN HA 1 11 GLN QB 2.800 . 2.800 2.356 2.175 2.538 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLN QB 1 12 THR H 4.500 . 4.500 3.347 2.099 3.899 . 0 0 "[ . 1 . 2]" 1
32 1 12 THR H 1 12 THR HA 2.800 . 2.800 2.780 2.288 2.929 0.129 11 0 "[ . 1 . 2]" 1
33 1 12 THR H 1 12 THR MG 4.500 . 4.500 3.860 3.331 4.055 . 0 0 "[ . 1 . 2]" 1
34 1 12 THR H 1 13 PHE H . . 3.500 2.698 1.808 3.597 0.097 5 0 "[ . 1 . 2]" 1
35 1 12 THR HA 1 12 THR MG 2.800 . 2.800 2.211 1.960 2.414 . 0 0 "[ . 1 . 2]" 1
36 1 12 THR HA 1 13 PHE H 3.500 . 3.500 3.550 3.516 3.572 0.072 10 0 "[ . 1 . 2]" 1
37 1 12 THR HB 1 13 PHE H 3.500 . 3.500 2.275 1.940 2.758 . 0 0 "[ . 1 . 2]" 1
38 1 12 THR MG 1 13 PHE H . . 3.500 3.463 2.636 3.706 0.206 3 0 "[ . 1 . 2]" 1
39 1 13 PHE H 1 13 PHE QB 3.500 . 3.500 3.064 2.063 3.439 . 0 0 "[ . 1 . 2]" 1
40 1 13 PHE H 1 13 PHE QD . . 3.500 3.340 2.652 3.553 0.053 1 0 "[ . 1 . 2]" 1
41 1 13 PHE H 1 14 GLU H 5.500 . 5.500 3.776 1.839 4.644 . 0 0 "[ . 1 . 2]" 1
42 1 13 PHE HA 1 14 GLU H 3.500 . 3.500 2.660 2.154 3.562 0.062 16 0 "[ . 1 . 2]" 1
43 1 13 PHE QB 1 14 GLU H 5.500 . 5.500 2.659 1.934 3.996 . 0 0 "[ . 1 . 2]" 1
44 1 13 PHE QD 1 14 GLU H 4.500 . 4.500 3.209 2.120 4.251 . 0 0 "[ . 1 . 2]" 1
45 1 13 PHE QD 1 15 VAL H 4.500 . 4.500 4.388 2.828 4.788 0.288 8 0 "[ . 1 . 2]" 1
46 1 13 PHE QD 1 15 VAL HA 4.500 . 4.500 4.385 3.811 4.748 0.248 8 0 "[ . 1 . 2]" 1
47 1 14 GLU H 1 15 VAL H 5.500 . 5.500 4.111 2.651 4.551 . 0 0 "[ . 1 . 2]" 1
48 1 14 GLU H 1 35 LYS QB 5.500 . 5.500 5.465 4.947 5.588 0.088 9 0 "[ . 1 . 2]" 1
49 1 14 GLU HA 1 15 VAL H 2.800 . 2.800 2.326 2.139 2.934 0.134 14 0 "[ . 1 . 2]" 1
50 1 14 GLU HA 1 15 VAL MG2 4.500 . 4.500 3.573 3.231 4.217 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU QB 1 15 VAL H 4.500 . 4.500 3.189 1.820 4.009 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLU QB 1 15 VAL MG2 . . 4.500 4.470 3.457 4.759 0.259 9 0 "[ . 1 . 2]" 1
53 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 2.694 2.621 2.913 0.113 14 0 "[ . 1 . 2]" 1
54 1 15 VAL H 1 15 VAL MG1 4.500 . 4.500 3.847 3.755 3.948 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL H 1 15 VAL MG2 . . 2.800 2.458 1.903 2.856 0.056 8 0 "[ . 1 . 2]" 1
56 1 15 VAL H 1 16 GLU H 4.500 . 4.500 4.536 4.422 4.640 0.140 18 0 "[ . 1 . 2]" 1
57 1 15 VAL H 1 54 TYR QD 5.500 . 5.500 4.356 3.928 5.395 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL H 1 57 LEU MD1 5.500 . 5.500 4.844 4.640 5.413 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL H 1 57 LEU MD2 5.500 . 5.500 3.539 3.174 4.346 . 0 0 "[ . 1 . 2]" 1
60 1 15 VAL HA 1 15 VAL MG1 3.500 . 3.500 2.199 2.057 2.290 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL HA 1 15 VAL MG2 3.500 . 3.500 2.408 2.306 2.622 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL HA 1 16 GLU H 2.800 . 2.800 2.280 2.221 2.339 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL HA 1 17 ARG H 5.500 . 5.500 4.874 4.611 4.954 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL HA 1 32 VAL MG2 4.500 . 4.500 4.521 4.254 4.588 0.088 17 0 "[ . 1 . 2]" 1
65 1 15 VAL HA 1 34 TRP HA 4.500 . 4.500 3.199 2.526 3.453 . 0 0 "[ . 1 . 2]" 1
66 1 15 VAL HA 1 35 LYS H 3.500 . 3.500 2.697 2.026 3.238 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL HA 1 54 TYR QD 5.500 . 5.500 5.453 5.127 5.545 0.045 5 0 "[ . 1 . 2]" 1
68 1 15 VAL HB 1 16 GLU H 5.500 . 5.500 3.714 3.543 3.886 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL HB 1 17 ARG H 4.500 . 4.500 4.586 4.545 4.645 0.145 6 0 "[ . 1 . 2]" 1
70 1 15 VAL HB 1 32 VAL MG1 4.500 . 4.500 4.601 4.530 4.762 0.262 14 0 "[ . 1 . 2]" 1
71 1 15 VAL HB 1 32 VAL MG2 3.500 . 3.500 3.314 3.185 3.613 0.113 14 0 "[ . 1 . 2]" 1
72 1 15 VAL HB 1 54 TYR QB 5.500 . 5.500 3.602 3.314 4.332 . 0 0 "[ . 1 . 2]" 1
73 1 15 VAL HB 1 57 LEU H 5.500 . 5.500 5.332 5.141 5.596 0.096 14 0 "[ . 1 . 2]" 1
74 1 15 VAL HB 1 57 LEU QB 5.500 . 5.500 4.534 4.370 4.807 . 0 0 "[ . 1 . 2]" 1
75 1 15 VAL HB 1 57 LEU MD1 3.500 . 3.500 2.512 2.335 2.941 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL HB 1 57 LEU MD2 3.500 . 3.500 2.170 1.986 2.366 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL MG1 1 16 GLU H 3.500 . 3.500 1.933 1.869 2.159 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL MG1 1 17 ARG H 3.500 . 3.500 2.678 2.558 2.997 . 0 0 "[ . 1 . 2]" 1
79 1 15 VAL MG1 1 17 ARG HA 4.500 . 4.500 3.572 3.454 3.708 . 0 0 "[ . 1 . 2]" 1
80 1 15 VAL MG1 1 32 VAL HB 4.500 . 4.500 3.933 3.888 4.002 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL MG1 1 32 VAL MG2 3.500 . 3.500 1.747 1.732 1.767 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL MG1 1 33 LYS H 4.500 . 4.500 3.444 3.204 3.630 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL MG1 1 34 TRP HD1 4.500 . 4.500 3.246 2.969 3.644 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL MG1 1 35 LYS H 5.500 . 5.500 2.705 2.495 3.050 . 0 0 "[ . 1 . 2]" 1
85 1 15 VAL MG1 1 50 ILE QG 5.500 . 5.500 5.516 5.330 5.583 0.083 10 0 "[ . 1 . 2]" 1
86 1 15 VAL MG1 1 54 TYR QD 4.500 . 4.500 3.805 2.414 4.014 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL MG1 1 57 LEU MD1 3.500 . 3.500 2.042 1.923 2.186 . 0 0 "[ . 1 . 2]" 1
88 1 15 VAL MG1 1 57 LEU MD2 3.500 . 3.500 2.991 2.784 3.079 . 0 0 "[ . 1 . 2]" 1
89 1 15 VAL MG1 1 57 LEU HG 4.500 . 4.500 4.534 4.281 4.595 0.095 9 0 "[ . 1 . 2]" 1
90 1 15 VAL MG2 1 16 GLU H 4.500 . 4.500 3.960 3.879 4.152 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL MG2 1 17 ARG H 5.500 . 5.500 5.289 5.174 5.448 . 0 0 "[ . 1 . 2]" 1
92 1 15 VAL MG2 1 32 VAL HB 5.500 . 5.500 5.153 4.996 5.549 0.049 14 0 "[ . 1 . 2]" 1
93 1 15 VAL MG2 1 32 VAL MG1 3.500 . 3.500 3.187 3.093 3.507 0.007 14 0 "[ . 1 . 2]" 1
94 1 15 VAL MG2 1 32 VAL MG2 3.500 . 3.500 3.122 2.865 3.465 . 0 0 "[ . 1 . 2]" 1
95 1 15 VAL MG2 1 34 TRP HA 5.500 . 5.500 3.696 3.304 4.011 . 0 0 "[ . 1 . 2]" 1
96 1 15 VAL MG2 1 34 TRP HD1 3.500 . 3.500 3.543 3.301 3.625 0.125 17 0 "[ . 1 . 2]" 1
97 1 15 VAL MG2 1 34 TRP HE1 5.500 . 5.500 5.053 4.630 5.516 0.016 18 0 "[ . 1 . 2]" 1
98 1 15 VAL MG2 1 35 LYS H 5.500 . 5.500 4.356 4.053 4.790 . 0 0 "[ . 1 . 2]" 1
99 1 15 VAL MG2 1 50 ILE QG 5.500 . 5.500 5.623 5.444 5.841 0.341 14 0 "[ . 1 . 2]" 1
100 1 15 VAL MG2 1 54 TYR QB 4.500 . 4.500 3.463 3.270 3.887 . 0 0 "[ . 1 . 2]" 1
101 1 15 VAL MG2 1 54 TYR QD 3.500 . 3.500 2.076 1.875 2.303 . 0 0 "[ . 1 . 2]" 1
102 1 15 VAL MG2 1 57 LEU MD1 . . 3.500 3.401 3.306 3.576 0.076 14 0 "[ . 1 . 2]" 1
103 1 15 VAL MG2 1 57 LEU MD2 . . 3.500 3.162 2.977 3.479 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLU H 1 16 GLU QB 3.500 . 3.500 2.072 2.046 2.201 . 0 0 "[ . 1 . 2]" 1
105 1 16 GLU H 1 16 GLU QG . . 4.500 3.471 3.282 4.061 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLU H 1 17 ARG H 4.500 . 4.500 2.902 2.568 3.050 . 0 0 "[ . 1 . 2]" 1
107 1 16 GLU H 1 32 VAL MG2 5.500 . 5.500 3.989 3.746 4.285 . 0 0 "[ . 1 . 2]" 1
108 1 16 GLU H 1 34 TRP HA 3.500 . 3.500 3.453 3.085 3.607 0.107 20 0 "[ . 1 . 2]" 1
109 1 16 GLU H 1 34 TRP QB 5.500 . 5.500 5.184 4.849 5.305 . 0 0 "[ . 1 . 2]" 1
110 1 16 GLU H 1 35 LYS HA 3.500 . 3.500 2.942 2.644 3.482 . 0 0 "[ . 1 . 2]" 1
111 1 16 GLU HA 1 16 GLU QB 2.800 . 2.800 2.531 2.432 2.539 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLU HA 1 16 GLU QG 3.500 . 3.500 2.198 2.095 2.903 . 0 0 "[ . 1 . 2]" 1
113 1 16 GLU HA 1 17 ARG H 4.500 . 4.500 3.566 3.562 3.570 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLU HA 1 36 ASN QD 5.500 . 5.500 4.801 4.591 5.225 . 0 0 "[ . 1 . 2]" 1
115 1 16 GLU QB 1 17 ARG H 2.800 . 2.800 2.131 1.877 2.342 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU QB 1 34 TRP H 4.500 . 4.500 4.484 4.265 4.580 0.080 19 0 "[ . 1 . 2]" 1
117 1 16 GLU QB 1 35 LYS H 3.500 . 3.500 2.437 2.006 2.759 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU QB 1 35 LYS HA 2.800 . 2.800 2.359 1.974 2.600 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU QB 1 36 ASN H 3.500 . 3.500 2.341 2.012 2.655 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLU QB 1 36 ASN QD 5.500 . 5.500 2.778 2.352 3.481 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU QB 1 37 TYR H 5.500 . 5.500 4.757 4.476 5.079 . 0 0 "[ . 1 . 2]" 1
122 1 16 GLU QG 1 34 TRP H 5.500 . 5.500 5.559 5.505 5.617 0.117 12 0 "[ . 1 . 2]" 1
123 1 16 GLU QG 1 35 LYS HA 3.500 . 3.500 2.110 1.932 3.364 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU QG 1 36 ASN H 5.500 . 5.500 2.672 2.440 2.873 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLU QG 1 36 ASN QB 5.500 . 5.500 2.395 1.968 3.400 . 0 0 "[ . 1 . 2]" 1
126 1 17 ARG H 1 17 ARG QB 3.500 . 3.500 3.151 3.123 3.170 . 0 0 "[ . 1 . 2]" 1
127 1 17 ARG H 1 17 ARG QG 4.500 . 4.500 3.772 3.732 3.805 . 0 0 "[ . 1 . 2]" 1
128 1 17 ARG H 1 18 ILE H 5.500 . 5.500 4.339 4.330 4.347 . 0 0 "[ . 1 . 2]" 1
129 1 17 ARG H 1 18 ILE HA 5.500 . 5.500 4.749 4.717 4.796 . 0 0 "[ . 1 . 2]" 1
130 1 17 ARG H 1 32 VAL MG2 5.500 . 5.500 3.163 3.045 3.379 . 0 0 "[ . 1 . 2]" 1
131 1 17 ARG H 1 33 LYS QG 3.500 . 3.500 2.670 2.528 2.818 . 0 0 "[ . 1 . 2]" 1
132 1 17 ARG H 1 35 LYS H 5.500 . 5.500 4.347 4.124 4.539 . 0 0 "[ . 1 . 2]" 1
133 1 17 ARG H 1 57 LEU MD1 4.500 . 4.500 3.392 3.097 3.503 . 0 0 "[ . 1 . 2]" 1
134 1 17 ARG H 1 57 LEU MD2 4.500 . 4.500 4.312 4.104 4.431 . 0 0 "[ . 1 . 2]" 1
135 1 17 ARG HA 1 17 ARG QB . . 2.800 2.162 2.158 2.165 . 0 0 "[ . 1 . 2]" 1
136 1 17 ARG HA 1 17 ARG QD 4.500 . 4.500 3.543 3.531 3.567 . 0 0 "[ . 1 . 2]" 1
137 1 17 ARG HA 1 17 ARG QG 3.500 . 3.500 3.399 3.362 3.414 . 0 0 "[ . 1 . 2]" 1
138 1 17 ARG HA 1 18 ILE H 2.800 . 2.800 2.425 2.398 2.451 . 0 0 "[ . 1 . 2]" 1
139 1 17 ARG HA 1 18 ILE MG 5.500 . 5.500 5.538 5.529 5.548 0.048 20 0 "[ . 1 . 2]" 1
140 1 17 ARG HA 1 33 LYS H 5.500 . 5.500 5.595 5.512 5.660 0.160 8 0 "[ . 1 . 2]" 1
141 1 17 ARG HA 1 57 LEU MD1 3.500 . 3.500 2.118 1.928 2.297 . 0 0 "[ . 1 . 2]" 1
142 1 17 ARG HA 1 57 LEU MD2 3.500 . 3.500 3.031 2.694 3.109 . 0 0 "[ . 1 . 2]" 1
143 1 17 ARG QB 1 17 ARG QD 2.800 . 2.800 2.353 2.287 2.680 . 0 0 "[ . 1 . 2]" 1
144 1 17 ARG QB 1 18 ILE H 3.500 . 3.500 2.575 2.518 2.622 . 0 0 "[ . 1 . 2]" 1
145 1 17 ARG QB 1 36 ASN QD 5.500 . 5.500 5.107 4.775 5.509 0.009 11 0 "[ . 1 . 2]" 1
146 1 17 ARG QD 1 18 ILE H 5.500 . 5.500 4.008 3.946 4.054 . 0 0 "[ . 1 . 2]" 1
147 1 17 ARG QD 1 19 VAL MG1 4.500 . 4.500 4.451 4.212 4.548 0.048 20 0 "[ . 1 . 2]" 1
148 1 17 ARG QD 1 19 VAL MG2 4.500 . 4.500 2.955 2.851 3.179 . 0 0 "[ . 1 . 2]" 1
149 1 17 ARG QD 1 33 LYS H 5.500 . 5.500 3.883 3.685 4.117 . 0 0 "[ . 1 . 2]" 1
150 1 17 ARG QD 1 33 LYS QG 2.800 . 2.800 2.598 2.344 2.859 0.059 14 0 "[ . 1 . 2]" 1
151 1 17 ARG QD 1 57 LEU MD2 5.500 . 5.500 5.463 5.196 5.558 0.058 11 0 "[ . 1 . 2]" 1
152 1 17 ARG QG 1 18 ILE H 2.800 . 2.800 2.807 2.643 2.870 0.070 10 0 "[ . 1 . 2]" 1
153 1 17 ARG QG 1 36 ASN QD 5.500 . 5.500 4.964 4.587 5.522 0.022 11 0 "[ . 1 . 2]" 1
154 1 17 ARG QG 1 57 LEU QB 5.500 . 5.500 4.298 3.987 4.390 . 0 0 "[ . 1 . 2]" 1
155 1 18 ILE H 1 18 ILE HB 2.800 . 2.800 2.588 2.574 2.618 . 0 0 "[ . 1 . 2]" 1
156 1 18 ILE H 1 18 ILE MD 3.500 . 3.500 3.502 3.239 3.546 0.046 13 0 "[ . 1 . 2]" 1
157 1 18 ILE H 1 18 ILE QG 3.500 . 3.500 2.013 1.931 2.071 . 0 0 "[ . 1 . 2]" 1
158 1 18 ILE H 1 18 ILE MG 4.500 . 4.500 3.771 3.764 3.777 . 0 0 "[ . 1 . 2]" 1
159 1 18 ILE H 1 57 LEU MD1 4.500 . 4.500 2.337 2.256 2.406 . 0 0 "[ . 1 . 2]" 1
160 1 18 ILE H 1 57 LEU MD2 4.500 . 4.500 4.510 4.275 4.535 0.035 10 0 "[ . 1 . 2]" 1
161 1 18 ILE H 1 61 PHE QD 5.500 . 5.500 4.511 4.294 4.675 . 0 0 "[ . 1 . 2]" 1
162 1 18 ILE HA 1 18 ILE MD . . 3.500 2.236 2.071 2.299 . 0 0 "[ . 1 . 2]" 1
163 1 18 ILE HA 1 18 ILE QG . . 3.500 2.801 2.775 2.916 . 0 0 "[ . 1 . 2]" 1
164 1 18 ILE HA 1 18 ILE MG 3.500 . 3.500 2.284 2.243 2.331 . 0 0 "[ . 1 . 2]" 1
165 1 18 ILE HA 1 19 VAL H 2.800 . 2.800 2.151 2.143 2.196 . 0 0 "[ . 1 . 2]" 1
166 1 18 ILE HA 1 20 ARG H 5.500 . 5.500 4.149 4.062 4.518 . 0 0 "[ . 1 . 2]" 1
167 1 18 ILE HA 1 32 VAL HA 3.500 . 3.500 2.475 2.402 2.592 . 0 0 "[ . 1 . 2]" 1
168 1 18 ILE HA 1 32 VAL MG1 4.500 . 4.500 4.319 4.247 4.431 . 0 0 "[ . 1 . 2]" 1
169 1 18 ILE HA 1 32 VAL MG2 . . 3.500 2.033 1.958 2.154 . 0 0 "[ . 1 . 2]" 1
170 1 18 ILE HA 1 33 LYS H 4.500 . 4.500 3.796 3.711 3.964 . 0 0 "[ . 1 . 2]" 1
171 1 18 ILE HA 1 33 LYS QG 4.500 . 4.500 4.581 4.512 4.704 0.204 14 0 "[ . 1 . 2]" 1
172 1 18 ILE HB 1 18 ILE MD . . 3.500 3.201 3.194 3.215 . 0 0 "[ . 1 . 2]" 1
173 1 18 ILE HB 1 19 VAL H 4.500 . 4.500 4.297 3.965 4.334 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE HB 1 57 LEU QB 5.500 . 5.500 3.973 3.870 4.030 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE HB 1 61 PHE H 5.500 . 5.500 4.559 4.446 4.915 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE HB 1 61 PHE QB 4.500 . 4.500 2.046 1.918 2.266 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE HB 1 61 PHE QD 4.500 . 4.500 3.026 2.483 3.158 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE HB 1 62 GLU H 5.500 . 5.500 4.765 4.511 5.250 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE MD 1 18 ILE MG 2.800 . 2.800 1.931 1.882 2.031 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE MD 1 19 VAL H 4.500 . 4.500 3.904 3.515 3.974 . 0 0 "[ . 1 . 2]" 1
181 1 18 ILE MD 1 20 ARG H 5.500 . 5.500 4.865 4.763 5.012 . 0 0 "[ . 1 . 2]" 1
182 1 18 ILE MD 1 30 TYR H 5.500 . 5.500 5.604 5.516 5.655 0.155 14 0 "[ . 1 . 2]" 1
183 1 18 ILE MD 1 30 TYR QB 3.500 . 3.500 2.554 2.515 2.652 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE MD 1 30 TYR QD 3.500 . 3.500 2.058 1.957 2.215 . 0 0 "[ . 1 . 2]" 1
185 1 18 ILE MD 1 31 LEU H 5.500 . 5.500 4.738 4.605 4.862 . 0 0 "[ . 1 . 2]" 1
186 1 18 ILE MD 1 32 VAL H 5.500 . 5.500 4.379 4.256 4.494 . 0 0 "[ . 1 . 2]" 1
187 1 18 ILE MD 1 32 VAL HA 3.500 . 3.500 3.473 3.362 3.528 0.028 20 0 "[ . 1 . 2]" 1
188 1 18 ILE MD 1 32 VAL HB 3.500 . 3.500 2.083 1.961 2.352 . 0 0 "[ . 1 . 2]" 1
189 1 18 ILE MD 1 32 VAL MG2 2.800 . 2.800 2.485 2.320 2.714 . 0 0 "[ . 1 . 2]" 1
190 1 18 ILE MD 1 33 LYS H 5.500 . 5.500 4.940 4.846 5.023 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE MD 1 50 ILE MD 2.800 . 2.800 2.031 1.919 2.204 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE MD 1 50 ILE QG . . 3.500 1.966 1.924 2.021 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MD 1 50 ILE MG 3.500 . 3.500 3.210 3.106 3.362 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE MD 1 51 ARG H 5.500 . 5.500 5.546 5.504 5.571 0.071 7 0 "[ . 1 . 2]" 1
195 1 18 ILE MD 1 54 TYR QB 4.500 . 4.500 2.742 2.523 2.988 . 0 0 "[ . 1 . 2]" 1
196 1 18 ILE MD 1 55 GLY QA 5.500 . 5.500 5.071 5.022 5.231 . 0 0 "[ . 1 . 2]" 1
197 1 18 ILE MD 1 57 LEU H 5.500 . 5.500 4.556 4.502 4.598 . 0 0 "[ . 1 . 2]" 1
198 1 18 ILE MD 1 57 LEU QB . . 4.500 3.344 3.158 3.421 . 0 0 "[ . 1 . 2]" 1
199 1 18 ILE MD 1 58 VAL H . . 3.500 3.407 3.347 3.449 . 0 0 "[ . 1 . 2]" 1
200 1 18 ILE MD 1 58 VAL HA . . 2.800 2.883 2.846 2.965 0.165 12 0 "[ . 1 . 2]" 1
201 1 18 ILE MD 1 58 VAL MG1 4.500 . 4.500 3.530 3.349 3.681 . 0 0 "[ . 1 . 2]" 1
202 1 18 ILE MD 1 58 VAL MG2 2.800 . 2.800 1.886 1.841 1.920 . 0 0 "[ . 1 . 2]" 1
203 1 18 ILE MD 1 59 ASP H 5.500 . 5.500 5.407 5.353 5.431 . 0 0 "[ . 1 . 2]" 1
204 1 18 ILE MD 1 60 ASP H 5.500 . 5.500 5.547 5.506 5.562 0.062 4 0 "[ . 1 . 2]" 1
205 1 18 ILE MD 1 61 PHE H 5.500 . 5.500 5.263 5.173 5.454 . 0 0 "[ . 1 . 2]" 1
206 1 18 ILE MD 1 61 PHE QD 4.500 . 4.500 4.396 4.294 4.500 0.000 20 0 "[ . 1 . 2]" 1
207 1 18 ILE MD 1 62 GLU H 5.500 . 5.500 5.239 5.103 5.508 0.008 20 0 "[ . 1 . 2]" 1
208 1 18 ILE QG 1 32 VAL MG2 5.500 . 5.500 3.240 3.091 3.610 . 0 0 "[ . 1 . 2]" 1
209 1 18 ILE QG 1 57 LEU H . . 4.500 4.491 4.429 4.532 0.032 19 0 "[ . 1 . 2]" 1
210 1 18 ILE QG 1 57 LEU QB 5.500 . 5.500 2.020 1.954 2.095 . 0 0 "[ . 1 . 2]" 1
211 1 18 ILE QG 1 58 VAL HA 3.500 . 3.500 2.023 1.959 2.139 . 0 0 "[ . 1 . 2]" 1
212 1 18 ILE QG 1 61 PHE H 4.500 . 4.500 3.767 3.668 4.037 . 0 0 "[ . 1 . 2]" 1
213 1 18 ILE QG 1 62 GLU H 5.500 . 5.500 4.073 3.940 4.262 . 0 0 "[ . 1 . 2]" 1
214 1 18 ILE MG 1 19 VAL H 3.500 . 3.500 2.936 2.045 3.058 . 0 0 "[ . 1 . 2]" 1
215 1 18 ILE MG 1 19 VAL HA 5.500 . 5.500 4.337 3.926 4.403 . 0 0 "[ . 1 . 2]" 1
216 1 18 ILE MG 1 20 ARG H . . 2.800 2.751 2.655 2.953 0.153 20 0 "[ . 1 . 2]" 1
217 1 18 ILE MG 1 20 ARG HA 5.500 . 5.500 3.309 3.206 3.831 . 0 0 "[ . 1 . 2]" 1
218 1 18 ILE MG 1 21 LYS H 5.500 . 5.500 4.607 4.534 4.943 . 0 0 "[ . 1 . 2]" 1
219 1 18 ILE MG 1 30 TYR H 5.500 . 5.500 5.572 5.545 5.628 0.128 20 0 "[ . 1 . 2]" 1
220 1 18 ILE MG 1 30 TYR HA 4.500 . 4.500 3.695 3.658 3.762 . 0 0 "[ . 1 . 2]" 1
221 1 18 ILE MG 1 30 TYR QB 3.500 . 3.500 2.759 2.709 2.788 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE MG 1 30 TYR QD 2.800 . 2.800 2.169 2.004 2.389 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE MG 1 31 LEU H 4.500 . 4.500 3.420 3.223 3.570 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE MG 1 50 ILE MG 4.500 . 4.500 4.262 4.196 4.424 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE MG 1 58 VAL H 5.500 . 5.500 5.596 5.554 5.662 0.162 17 0 "[ . 1 . 2]" 1
226 1 18 ILE MG 1 58 VAL MG1 5.500 . 5.500 4.331 4.175 4.508 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE MG 1 61 PHE H 5.500 . 5.500 5.193 5.046 5.414 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE MG 1 61 PHE QB 3.500 . 3.500 3.022 2.878 3.267 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE MG 1 61 PHE QD 2.800 . 2.800 2.824 2.811 2.839 0.039 20 0 "[ . 1 . 2]" 1
230 1 18 ILE MG 1 62 GLU H 5.500 . 5.500 4.598 4.346 4.966 . 0 0 "[ . 1 . 2]" 1
231 1 19 VAL H 1 19 VAL HB 3.500 . 3.500 2.708 2.629 2.745 . 0 0 "[ . 1 . 2]" 1
232 1 19 VAL H 1 19 VAL MG1 4.500 . 4.500 3.755 3.744 3.834 . 0 0 "[ . 1 . 2]" 1
233 1 19 VAL H 1 19 VAL MG2 . . 2.800 2.074 2.003 2.379 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL H 1 20 ARG H . . 2.800 2.823 2.472 2.895 0.095 17 0 "[ . 1 . 2]" 1
235 1 19 VAL H 1 20 ARG HA 5.500 . 5.500 5.130 4.792 5.160 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL H 1 20 ARG QB 5.500 . 5.500 5.463 5.049 5.520 0.020 14 0 "[ . 1 . 2]" 1
237 1 19 VAL H 1 20 ARG QD 4.500 . 4.500 4.538 4.395 4.653 0.153 20 0 "[ . 1 . 2]" 1
238 1 19 VAL H 1 31 LEU H 5.500 . 5.500 5.225 4.498 5.371 . 0 0 "[ . 1 . 2]" 1
239 1 19 VAL H 1 31 LEU QB 5.500 . 5.500 4.456 3.990 4.772 . 0 0 "[ . 1 . 2]" 1
240 1 19 VAL H 1 31 LEU HG 5.500 . 5.500 4.589 4.269 4.857 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL H 1 32 VAL HA 4.500 . 4.500 1.938 1.889 2.222 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL H 1 33 LYS H 5.500 . 5.500 3.083 2.933 4.056 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL H 1 33 LYS QG 4.500 . 4.500 3.862 3.607 4.386 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HA 1 19 VAL MG1 2.800 . 2.800 2.325 2.268 2.355 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL HA 1 19 VAL MG2 2.800 . 2.800 2.421 2.400 2.465 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL HA 1 20 ARG H 3.500 . 3.500 3.568 3.564 3.572 0.072 20 0 "[ . 1 . 2]" 1
247 1 19 VAL HB 1 20 ARG H 3.500 . 3.500 2.254 2.111 2.325 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL HB 1 31 LEU MD1 4.500 . 4.500 4.223 3.338 4.355 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL HB 1 31 LEU HG 3.500 . 3.500 2.744 2.241 2.948 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL HB 1 42 ASN QD 5.500 . 5.500 3.007 2.761 3.661 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL MG1 1 20 ARG H 3.500 . 3.500 3.440 3.197 3.547 0.047 14 0 "[ . 1 . 2]" 1
252 1 19 VAL MG1 1 20 ARG HA 4.500 . 4.500 4.368 3.986 4.484 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL MG1 1 20 ARG QB 3.500 . 3.500 3.212 3.132 3.653 0.153 20 0 "[ . 1 . 2]" 1
254 1 19 VAL MG1 1 20 ARG QD 3.500 . 3.500 1.842 1.780 2.103 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG1 1 20 ARG QG 3.500 . 3.500 3.497 1.961 3.650 0.150 8 0 "[ . 1 . 2]" 1
256 1 19 VAL MG1 1 31 LEU HG 3.500 . 3.500 3.531 3.095 3.595 0.095 18 0 "[ . 1 . 2]" 1
257 1 19 VAL MG1 1 33 LYS H 5.500 . 5.500 4.732 4.591 5.043 . 0 0 "[ . 1 . 2]" 1
258 1 19 VAL MG1 1 33 LYS QB 4.500 . 4.500 3.749 3.542 4.070 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL MG1 1 33 LYS QG 4.500 . 4.500 4.413 4.132 4.604 0.104 3 0 "[ . 1 . 2]" 1
260 1 19 VAL MG1 1 42 ASN QD 4.500 . 4.500 2.294 2.090 2.869 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL MG2 1 20 ARG H 3.500 . 3.500 3.542 3.517 3.558 0.058 16 0 "[ . 1 . 2]" 1
262 1 19 VAL MG2 1 31 LEU H 5.500 . 5.500 5.512 5.431 5.613 0.113 20 0 "[ . 1 . 2]" 1
263 1 19 VAL MG2 1 32 VAL HA 3.500 . 3.500 2.278 2.030 2.385 . 0 0 "[ . 1 . 2]" 1
264 1 19 VAL MG2 1 32 VAL HB 4.500 . 4.500 4.491 4.363 4.546 0.046 17 0 "[ . 1 . 2]" 1
265 1 19 VAL MG2 1 33 LYS H 3.500 . 3.500 2.143 2.031 2.344 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL MG2 1 39 SER HA 4.500 . 4.500 3.384 2.979 3.697 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL MG2 1 42 ASN QD . . 3.500 2.244 1.858 2.939 . 0 0 "[ . 1 . 2]" 1
268 1 20 ARG H 1 20 ARG QD . . 4.500 2.956 2.837 3.193 . 0 0 "[ . 1 . 2]" 1
269 1 20 ARG H 1 20 ARG QG 3.500 . 3.500 2.701 2.496 3.088 . 0 0 "[ . 1 . 2]" 1
270 1 20 ARG H 1 21 LYS H 4.500 . 4.500 4.343 4.335 4.361 . 0 0 "[ . 1 . 2]" 1
271 1 20 ARG H 1 21 LYS HA 5.500 . 5.500 4.679 4.657 4.827 . 0 0 "[ . 1 . 2]" 1
272 1 20 ARG H 1 30 TYR HA 5.500 . 5.500 5.129 5.070 5.198 . 0 0 "[ . 1 . 2]" 1
273 1 20 ARG H 1 30 TYR QB 5.500 . 5.500 5.364 5.268 5.476 . 0 0 "[ . 1 . 2]" 1
274 1 20 ARG H 1 31 LEU H 3.500 . 3.500 3.428 3.243 3.534 0.034 14 0 "[ . 1 . 2]" 1
275 1 20 ARG H 1 31 LEU QB 4.500 . 4.500 2.598 2.013 2.953 . 0 0 "[ . 1 . 2]" 1
276 1 20 ARG H 1 31 LEU MD1 5.500 . 5.500 4.883 3.961 5.045 . 0 0 "[ . 1 . 2]" 1
277 1 20 ARG H 1 31 LEU HG 4.500 . 4.500 3.906 2.951 4.106 . 0 0 "[ . 1 . 2]" 1
278 1 20 ARG H 1 32 VAL HA 5.500 . 5.500 3.949 3.819 4.080 . 0 0 "[ . 1 . 2]" 1
279 1 20 ARG H 1 42 ASN QB 5.500 . 5.500 5.342 5.094 5.523 0.023 14 0 "[ . 1 . 2]" 1
280 1 20 ARG HA 1 21 LYS H 2.800 . 2.800 2.682 2.660 2.704 . 0 0 "[ . 1 . 2]" 1
281 1 20 ARG HA 1 21 LYS QG 4.500 . 4.500 3.909 3.861 4.019 . 0 0 "[ . 1 . 2]" 1
282 1 20 ARG QB 1 20 ARG QD 2.800 . 2.800 1.984 1.929 2.150 . 0 0 "[ . 1 . 2]" 1
283 1 20 ARG QB 1 21 LYS H 3.500 . 3.500 1.924 1.894 2.000 . 0 0 "[ . 1 . 2]" 1
284 1 20 ARG QB 1 31 LEU H 5.500 . 5.500 4.763 3.649 4.856 . 0 0 "[ . 1 . 2]" 1
285 1 20 ARG QB 1 31 LEU QB 4.500 . 4.500 3.744 1.923 3.959 . 0 0 "[ . 1 . 2]" 1
286 1 20 ARG QB 1 31 LEU HG 5.500 . 5.500 5.268 3.204 5.479 . 0 0 "[ . 1 . 2]" 1
287 1 20 ARG QD 1 21 LYS H . . 4.500 4.608 4.562 4.721 0.221 14 0 "[ . 1 . 2]" 1
288 1 20 ARG QD 1 31 LEU H 5.500 . 5.500 4.791 4.633 5.168 . 0 0 "[ . 1 . 2]" 1
289 1 20 ARG QD 1 31 LEU MD1 5.500 . 5.500 4.088 3.451 4.349 . 0 0 "[ . 1 . 2]" 1
290 1 20 ARG QD 1 31 LEU HG 3.500 . 3.500 2.775 1.937 3.130 . 0 0 "[ . 1 . 2]" 1
291 1 20 ARG QD 1 42 ASN QD 2.800 . 2.800 2.940 2.841 3.127 0.327 19 0 "[ . 1 . 2]" 1
292 1 20 ARG QG 1 21 LYS H 3.500 . 3.500 3.104 2.959 3.842 0.342 20 0 "[ . 1 . 2]" 1
293 1 20 ARG QG 1 31 LEU HG . . 3.500 3.615 3.286 3.899 0.399 20 0 "[ . 1 . 2]" 1
294 1 20 ARG QG 1 44 TRP HE1 5.500 . 5.500 5.475 5.160 5.793 0.293 20 0 "[ . 1 . 2]" 1
295 1 21 LYS H 1 21 LYS HA . . 2.800 2.893 2.857 2.902 0.102 16 0 "[ . 1 . 2]" 1
296 1 21 LYS H 1 21 LYS QB 3.500 . 3.500 3.145 3.125 3.166 . 0 0 "[ . 1 . 2]" 1
297 1 21 LYS H 1 21 LYS QG 3.500 . 3.500 2.679 2.639 2.898 . 0 0 "[ . 1 . 2]" 1
298 1 21 LYS H 1 22 LYS QB 5.500 . 5.500 4.193 4.004 4.232 . 0 0 "[ . 1 . 2]" 1
299 1 21 LYS H 1 31 LEU H 4.500 . 4.500 4.430 4.108 4.514 0.014 16 0 "[ . 1 . 2]" 1
300 1 21 LYS HA 1 22 LYS H 2.800 . 2.800 2.340 2.267 2.359 . 0 0 "[ . 1 . 2]" 1
301 1 21 LYS HA 1 22 LYS QB 4.500 . 4.500 4.120 4.092 4.164 . 0 0 "[ . 1 . 2]" 1
302 1 21 LYS HA 1 30 TYR H 5.500 . 5.500 4.880 4.762 4.928 . 0 0 "[ . 1 . 2]" 1
303 1 21 LYS HA 1 30 TYR HA 3.500 . 3.500 2.384 2.330 2.428 . 0 0 "[ . 1 . 2]" 1
304 1 21 LYS HA 1 31 LEU H 4.500 . 4.500 2.508 2.466 2.546 . 0 0 "[ . 1 . 2]" 1
305 1 21 LYS QB 1 22 LYS H 3.500 . 3.500 2.591 2.547 2.807 . 0 0 "[ . 1 . 2]" 1
306 1 21 LYS QB 1 28 THR MG . . 3.500 3.383 3.297 3.553 0.053 20 0 "[ . 1 . 2]" 1
307 1 21 LYS QB 1 30 TYR QD 3.500 . 3.500 3.128 3.030 3.387 . 0 0 "[ . 1 . 2]" 1
308 1 21 LYS QB 1 61 PHE QD 4.500 . 4.500 3.847 3.689 4.109 . 0 0 "[ . 1 . 2]" 1
309 1 21 LYS QD 1 23 ILE MG 4.500 . 4.500 4.533 4.525 4.567 0.067 13 0 "[ . 1 . 2]" 1
310 1 21 LYS QD 1 28 THR MG . . 3.500 3.388 3.272 3.539 0.039 20 0 "[ . 1 . 2]" 1
311 1 21 LYS QD 1 61 PHE QD 3.500 . 3.500 3.544 3.532 3.596 0.096 13 0 "[ . 1 . 2]" 1
312 1 21 LYS QE 1 21 LYS QG 3.500 . 3.500 2.229 2.074 2.379 . 0 0 "[ . 1 . 2]" 1
313 1 21 LYS QE 1 22 LYS H 5.500 . 5.500 4.586 4.515 4.647 . 0 0 "[ . 1 . 2]" 1
314 1 21 LYS QE 1 23 ILE MG 3.500 . 3.500 3.555 3.542 3.568 0.068 13 0 "[ . 1 . 2]" 1
315 1 21 LYS QE 1 28 THR MG 3.500 . 3.500 3.413 3.285 3.536 0.036 20 0 "[ . 1 . 2]" 1
316 1 21 LYS QG 1 22 LYS H 3.500 . 3.500 3.503 3.436 3.523 0.023 20 0 "[ . 1 . 2]" 1
317 1 21 LYS QG 1 30 TYR QD 5.500 . 5.500 4.918 4.804 5.173 . 0 0 "[ . 1 . 2]" 1
318 1 21 LYS QG 1 61 PHE QD 5.500 . 5.500 4.209 4.125 4.513 . 0 0 "[ . 1 . 2]" 1
319 1 22 LYS H 1 22 LYS QB 3.500 . 3.500 3.230 3.215 3.237 . 0 0 "[ . 1 . 2]" 1
320 1 22 LYS H 1 22 LYS QD 5.500 . 5.500 4.339 4.279 4.364 . 0 0 "[ . 1 . 2]" 1
321 1 22 LYS H 1 22 LYS QG 3.500 . 3.500 2.740 2.721 2.763 . 0 0 "[ . 1 . 2]" 1
322 1 22 LYS H 1 23 ILE H . . 4.500 4.220 4.202 4.231 . 0 0 "[ . 1 . 2]" 1
323 1 22 LYS H 1 28 THR MG 3.500 . 3.500 3.612 3.583 3.652 0.152 17 0 "[ . 1 . 2]" 1
324 1 22 LYS H 1 30 TYR H 5.500 . 5.500 4.933 4.890 4.958 . 0 0 "[ . 1 . 2]" 1
325 1 22 LYS H 1 30 TYR QB 5.500 . 5.500 5.487 5.444 5.517 0.017 6 0 "[ . 1 . 2]" 1
326 1 22 LYS H 1 31 LEU H 4.500 . 4.500 4.451 4.376 4.514 0.014 19 0 "[ . 1 . 2]" 1
327 1 22 LYS HA 1 23 ILE H 2.800 . 2.800 2.238 2.224 2.245 . 0 0 "[ . 1 . 2]" 1
328 1 22 LYS HA 1 23 ILE MG 3.500 . 3.500 3.345 3.329 3.365 . 0 0 "[ . 1 . 2]" 1
329 1 22 LYS QB 1 22 LYS QD 2.800 . 2.800 1.972 1.962 1.991 . 0 0 "[ . 1 . 2]" 1
330 1 22 LYS QB 1 22 LYS QE 2.800 . 2.800 2.810 2.793 2.830 0.030 13 0 "[ . 1 . 2]" 1
331 1 22 LYS QB 1 23 ILE H 4.500 . 4.500 2.870 2.849 2.920 . 0 0 "[ . 1 . 2]" 1
332 1 22 LYS QB 1 23 ILE MD 5.500 . 5.500 5.612 5.597 5.629 0.129 4 0 "[ . 1 . 2]" 1
333 1 22 LYS QB 1 24 VAL MG1 5.500 . 5.500 5.409 5.366 5.489 . 0 0 "[ . 1 . 2]" 1
334 1 22 LYS QB 1 24 VAL MG2 5.500 . 5.500 4.050 4.014 4.072 . 0 0 "[ . 1 . 2]" 1
335 1 22 LYS QB 1 29 SER H 5.500 . 5.500 5.044 5.011 5.070 . 0 0 "[ . 1 . 2]" 1
336 1 22 LYS QD 1 23 ILE H 5.500 . 5.500 3.341 3.174 3.386 . 0 0 "[ . 1 . 2]" 1
337 1 22 LYS QD 1 23 ILE QG 5.500 . 5.500 4.516 4.355 4.582 . 0 0 "[ . 1 . 2]" 1
338 1 22 LYS QD 1 24 VAL MG1 3.500 . 3.500 3.542 3.537 3.550 0.050 18 0 "[ . 1 . 2]" 1
339 1 22 LYS QD 1 24 VAL MG2 3.500 . 3.500 2.008 1.904 2.048 . 0 0 "[ . 1 . 2]" 1
340 1 22 LYS QD 1 29 SER H 5.500 . 5.500 4.762 4.660 4.802 . 0 0 "[ . 1 . 2]" 1
341 1 22 LYS QD 1 29 SER QB . . 3.500 3.297 3.215 3.369 . 0 0 "[ . 1 . 2]" 1
342 1 22 LYS QE 1 22 LYS QG 2.800 . 2.800 2.110 2.077 2.127 . 0 0 "[ . 1 . 2]" 1
343 1 22 LYS QE 1 24 VAL MG2 3.500 . 3.500 3.340 3.194 3.405 . 0 0 "[ . 1 . 2]" 1
344 1 22 LYS QE 1 29 SER QB . . 4.500 4.507 4.477 4.519 0.019 13 0 "[ . 1 . 2]" 1
345 1 22 LYS QE 1 44 TRP HE1 5.500 . 5.500 5.226 4.574 5.515 0.015 15 0 "[ . 1 . 2]" 1
346 1 22 LYS QG 1 24 VAL H 5.500 . 5.500 5.525 5.516 5.534 0.034 17 0 "[ . 1 . 2]" 1
347 1 22 LYS QG 1 29 SER QB . . 3.500 2.519 2.443 2.593 . 0 0 "[ . 1 . 2]" 1
348 1 22 LYS QG 1 44 TRP HE1 5.500 . 5.500 5.372 4.126 5.578 0.078 13 0 "[ . 1 . 2]" 1
349 1 23 ILE H 1 23 ILE HA 2.800 . 2.800 2.944 2.941 2.946 0.146 7 0 "[ . 1 . 2]" 1
350 1 23 ILE H 1 23 ILE MD 4.500 . 4.500 3.889 3.879 3.902 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE H 1 23 ILE QG 3.500 . 3.500 2.364 2.354 2.383 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE H 1 23 ILE MG 3.500 . 3.500 2.448 2.416 2.490 . 0 0 "[ . 1 . 2]" 1
353 1 23 ILE H 1 24 VAL HA 5.500 . 5.500 5.078 5.059 5.111 . 0 0 "[ . 1 . 2]" 1
354 1 23 ILE H 1 24 VAL MG2 4.500 . 4.500 4.167 4.131 4.206 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE H 1 28 THR MG 5.500 . 5.500 4.376 4.303 4.431 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE H 1 29 SER H . . 4.500 4.473 4.401 4.531 0.031 10 0 "[ . 1 . 2]" 1
357 1 23 ILE HA 1 23 ILE MD 3.500 . 3.500 3.506 3.495 3.509 0.009 11 0 "[ . 1 . 2]" 1
358 1 23 ILE HA 1 23 ILE QG 3.500 . 3.500 3.388 3.386 3.389 . 0 0 "[ . 1 . 2]" 1
359 1 23 ILE HA 1 23 ILE MG 3.500 . 3.500 2.478 2.474 2.487 . 0 0 "[ . 1 . 2]" 1
360 1 23 ILE HA 1 24 VAL H 2.800 . 2.800 2.276 2.268 2.277 . 0 0 "[ . 1 . 2]" 1
361 1 23 ILE HA 1 24 VAL MG2 3.500 . 3.500 3.042 3.035 3.054 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE HA 1 27 ASN H 4.500 . 4.500 4.266 4.163 4.434 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE HB 1 23 ILE MD 2.800 . 2.800 2.066 2.064 2.070 . 0 0 "[ . 1 . 2]" 1
364 1 23 ILE HB 1 23 ILE QG 2.800 . 2.800 2.504 2.503 2.505 . 0 0 "[ . 1 . 2]" 1
365 1 23 ILE HB 1 24 VAL H 4.500 . 4.500 2.799 2.794 2.826 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE HB 1 26 GLY H 5.500 . 5.500 3.891 3.849 3.928 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE MD 1 24 VAL H 2.800 . 2.800 2.824 2.820 2.827 0.027 6 0 "[ . 1 . 2]" 1
368 1 23 ILE MD 1 24 VAL HA 2.800 . 2.800 2.816 2.809 2.825 0.025 5 0 "[ . 1 . 2]" 1
369 1 23 ILE MD 1 26 GLY H 3.500 . 3.500 1.924 1.887 1.962 . 0 0 "[ . 1 . 2]" 1
370 1 23 ILE MD 1 26 GLY QA . . 3.500 2.438 2.421 2.460 . 0 0 "[ . 1 . 2]" 1
371 1 23 ILE MD 1 27 ASN H 3.500 . 3.500 2.678 2.595 2.807 . 0 0 "[ . 1 . 2]" 1
372 1 23 ILE MD 1 27 ASN HA 4.500 . 4.500 4.621 4.608 4.641 0.141 13 0 "[ . 1 . 2]" 1
373 1 23 ILE MD 1 27 ASN QB 4.500 . 4.500 4.506 4.482 4.518 0.018 18 0 "[ . 1 . 2]" 1
374 1 23 ILE QG 1 23 ILE MG 2.800 . 2.800 2.052 2.020 2.065 . 0 0 "[ . 1 . 2]" 1
375 1 23 ILE QG 1 24 VAL H 4.500 . 4.500 3.884 3.872 3.892 . 0 0 "[ . 1 . 2]" 1
376 1 23 ILE QG 1 24 VAL HA 5.500 . 5.500 3.936 3.919 3.951 . 0 0 "[ . 1 . 2]" 1
377 1 23 ILE MG 1 29 SER H 2.800 . 2.800 2.912 2.879 2.942 0.142 10 0 "[ . 1 . 2]" 1
378 1 24 VAL H 1 24 VAL HB 3.500 . 3.500 3.164 3.128 3.186 . 0 0 "[ . 1 . 2]" 1
379 1 24 VAL H 1 24 VAL MG1 4.500 . 4.500 3.958 3.954 3.963 . 0 0 "[ . 1 . 2]" 1
380 1 24 VAL H 1 24 VAL MG2 2.800 . 2.800 2.347 2.327 2.371 . 0 0 "[ . 1 . 2]" 1
381 1 24 VAL H 1 25 HIS QB 5.500 . 5.500 4.854 4.836 4.868 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL H 1 27 ASN H . . 2.800 2.460 2.383 2.593 . 0 0 "[ . 1 . 2]" 1
383 1 24 VAL H 1 27 ASN HA 5.500 . 5.500 4.258 4.222 4.293 . 0 0 "[ . 1 . 2]" 1
384 1 24 VAL H 1 27 ASN QB 4.500 . 4.500 2.949 2.925 3.000 . 0 0 "[ . 1 . 2]" 1
385 1 24 VAL H 1 29 SER QB 5.500 . 5.500 5.085 5.017 5.270 . 0 0 "[ . 1 . 2]" 1
386 1 24 VAL HA 1 24 VAL MG1 2.800 . 2.800 2.090 2.079 2.115 . 0 0 "[ . 1 . 2]" 1
387 1 24 VAL HA 1 24 VAL MG2 2.800 . 2.800 2.734 2.706 2.753 . 0 0 "[ . 1 . 2]" 1
388 1 24 VAL HA 1 26 GLY H 5.500 . 5.500 3.542 3.529 3.561 . 0 0 "[ . 1 . 2]" 1
389 1 24 VAL HB 1 27 ASN QB 4.500 . 4.500 3.392 3.319 3.441 . 0 0 "[ . 1 . 2]" 1
390 1 24 VAL MG1 1 25 HIS HA 4.500 . 4.500 4.388 4.349 4.414 . 0 0 "[ . 1 . 2]" 1
391 1 24 VAL MG1 1 25 HIS QB . . 3.500 3.279 3.202 3.329 . 0 0 "[ . 1 . 2]" 1
392 1 24 VAL MG2 1 27 ASN H 5.500 . 5.500 4.226 4.193 4.279 . 0 0 "[ . 1 . 2]" 1
393 1 24 VAL MG2 1 27 ASN HA 5.500 . 5.500 5.531 5.522 5.539 0.039 5 0 "[ . 1 . 2]" 1
394 1 25 HIS HA 1 25 HIS QB . . 2.800 2.507 2.482 2.532 . 0 0 "[ . 1 . 2]" 1
395 1 25 HIS HA 1 26 GLY H 3.500 . 3.500 2.994 2.985 3.014 . 0 0 "[ . 1 . 2]" 1
396 1 25 HIS QB 1 26 GLY H 5.500 . 5.500 3.730 3.711 3.739 . 0 0 "[ . 1 . 2]" 1
397 1 26 GLY H 1 26 GLY QA 2.800 . 2.800 2.268 2.263 2.278 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLY H 1 27 ASN H 3.500 . 3.500 2.283 2.257 2.313 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLY H 1 27 ASN HA 5.500 . 5.500 4.968 4.954 4.979 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLY H 1 27 ASN QB 5.500 . 5.500 4.526 4.471 4.588 . 0 0 "[ . 1 . 2]" 1
401 1 26 GLY QA 1 27 ASN H 3.500 . 3.500 2.898 2.881 2.917 . 0 0 "[ . 1 . 2]" 1
402 1 27 ASN H 1 27 ASN QB 2.800 . 2.800 2.532 2.435 2.602 . 0 0 "[ . 1 . 2]" 1
403 1 27 ASN H 1 28 THR H 5.500 . 5.500 4.145 4.104 4.222 . 0 0 "[ . 1 . 2]" 1
404 1 27 ASN H 1 28 THR HA 5.500 . 5.500 4.844 4.781 4.944 . 0 0 "[ . 1 . 2]" 1
405 1 27 ASN HA 1 27 ASN QB 2.800 . 2.800 2.367 2.341 2.397 . 0 0 "[ . 1 . 2]" 1
406 1 27 ASN HA 1 28 THR H 2.800 . 2.800 2.162 2.155 2.164 . 0 0 "[ . 1 . 2]" 1
407 1 27 ASN HA 1 28 THR MG 5.500 . 5.500 5.438 5.427 5.471 . 0 0 "[ . 1 . 2]" 1
408 1 27 ASN HA 1 46 THR MG 4.500 . 4.500 4.483 4.296 4.585 0.085 18 0 "[ . 1 . 2]" 1
409 1 27 ASN QB 1 28 THR H 3.500 . 3.500 3.554 3.530 3.565 0.065 13 0 "[ . 1 . 2]" 1
410 1 27 ASN QB 1 29 SER H 5.500 . 5.500 5.576 5.553 5.610 0.110 20 0 "[ . 1 . 2]" 1
411 1 28 THR H 1 28 THR HB 3.500 . 3.500 2.818 2.719 2.846 . 0 0 "[ . 1 . 2]" 1
412 1 28 THR H 1 28 THR MG 4.500 . 4.500 3.727 3.715 3.756 . 0 0 "[ . 1 . 2]" 1
413 1 28 THR H 1 29 SER H 5.500 . 5.500 4.620 4.615 4.624 . 0 0 "[ . 1 . 2]" 1
414 1 28 THR H 1 47 GLU H 5.500 . 5.500 4.589 4.337 4.650 . 0 0 "[ . 1 . 2]" 1
415 1 28 THR HA 1 28 THR MG 3.500 . 3.500 2.267 2.176 2.288 . 0 0 "[ . 1 . 2]" 1
416 1 28 THR HA 1 29 SER H 2.800 . 2.800 2.236 2.227 2.250 . 0 0 "[ . 1 . 2]" 1
417 1 28 THR HB 1 29 SER H 5.500 . 5.500 3.680 3.655 3.757 . 0 0 "[ . 1 . 2]" 1
418 1 28 THR HB 1 30 TYR H 5.500 . 5.500 5.532 5.488 5.579 0.079 13 0 "[ . 1 . 2]" 1
419 1 28 THR HB 1 47 GLU H 3.500 . 3.500 2.707 2.599 2.841 . 0 0 "[ . 1 . 2]" 1
420 1 28 THR HB 1 47 GLU QB 4.500 . 4.500 1.898 1.879 1.948 . 0 0 "[ . 1 . 2]" 1
421 1 28 THR HB 1 47 GLU QG 4.500 . 4.500 3.899 3.861 3.974 . 0 0 "[ . 1 . 2]" 1
422 1 28 THR HB 1 48 ASP H 4.500 . 4.500 4.581 4.547 4.664 0.164 10 0 "[ . 1 . 2]" 1
423 1 28 THR MG 1 29 SER H 3.500 . 3.500 2.099 1.998 2.269 . 0 0 "[ . 1 . 2]" 1
424 1 28 THR MG 1 30 TYR H 4.500 . 4.500 4.484 4.176 4.537 0.037 15 0 "[ . 1 . 2]" 1
425 1 28 THR MG 1 30 TYR QD 3.500 . 3.500 2.723 2.328 2.851 . 0 0 "[ . 1 . 2]" 1
426 1 28 THR MG 1 47 GLU H 4.500 . 4.500 3.604 3.307 3.699 . 0 0 "[ . 1 . 2]" 1
427 1 28 THR MG 1 47 GLU QB 3.500 . 3.500 2.008 1.898 2.104 . 0 0 "[ . 1 . 2]" 1
428 1 28 THR MG 1 47 GLU QG 4.500 . 4.500 3.473 3.411 3.639 . 0 0 "[ . 1 . 2]" 1
429 1 28 THR MG 1 48 ASP H 5.500 . 5.500 5.396 5.256 5.514 0.014 20 0 "[ . 1 . 2]" 1
430 1 29 SER H 1 29 SER QB . . 3.500 2.788 2.747 2.852 . 0 0 "[ . 1 . 2]" 1
431 1 29 SER H 1 30 TYR H 5.500 . 5.500 4.199 4.124 4.229 . 0 0 "[ . 1 . 2]" 1
432 1 29 SER H 1 30 TYR QB 5.500 . 5.500 5.517 5.481 5.547 0.047 20 0 "[ . 1 . 2]" 1
433 1 29 SER HA 1 30 TYR H 2.800 . 2.800 2.149 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
434 1 29 SER HA 1 47 GLU H 3.500 . 3.500 3.123 3.023 3.236 . 0 0 "[ . 1 . 2]" 1
435 1 29 SER HA 1 48 ASP H 5.500 . 5.500 5.535 5.395 5.587 0.087 20 0 "[ . 1 . 2]" 1
436 1 29 SER QB 1 30 TYR H 3.500 . 3.500 3.196 3.156 3.272 . 0 0 "[ . 1 . 2]" 1
437 1 29 SER QB 1 30 TYR QD 4.500 . 4.500 4.569 4.539 4.619 0.119 10 0 "[ . 1 . 2]" 1
438 1 29 SER QB 1 45 GLU H 5.500 . 5.500 4.110 3.553 4.503 . 0 0 "[ . 1 . 2]" 1
439 1 29 SER QB 1 46 THR HA 5.500 . 5.500 3.866 3.680 3.954 . 0 0 "[ . 1 . 2]" 1
440 1 29 SER QB 1 47 GLU H 5.500 . 5.500 5.088 4.987 5.157 . 0 0 "[ . 1 . 2]" 1
441 1 30 TYR H 1 30 TYR QB 3.500 . 3.500 2.314 2.292 2.328 . 0 0 "[ . 1 . 2]" 1
442 1 30 TYR H 1 30 TYR QD . . 3.500 2.682 2.575 2.740 . 0 0 "[ . 1 . 2]" 1
443 1 30 TYR H 1 31 LEU H 5.500 . 5.500 4.353 4.302 4.413 . 0 0 "[ . 1 . 2]" 1
444 1 30 TYR H 1 45 GLU H 4.500 . 4.500 3.111 2.574 3.516 . 0 0 "[ . 1 . 2]" 1
445 1 30 TYR H 1 45 GLU QB 5.500 . 5.500 3.981 3.769 4.041 . 0 0 "[ . 1 . 2]" 1
446 1 30 TYR H 1 45 GLU QG 5.500 . 5.500 5.491 5.315 5.540 0.040 10 0 "[ . 1 . 2]" 1
447 1 30 TYR H 1 46 THR H 4.500 . 4.500 4.343 4.295 4.403 . 0 0 "[ . 1 . 2]" 1
448 1 30 TYR H 1 46 THR HA 5.500 . 5.500 3.224 3.130 3.469 . 0 0 "[ . 1 . 2]" 1
449 1 30 TYR H 1 46 THR HB 5.500 . 5.500 5.572 5.477 5.783 0.283 20 0 "[ . 1 . 2]" 1
450 1 30 TYR H 1 46 THR MG 5.500 . 5.500 4.801 4.719 4.991 . 0 0 "[ . 1 . 2]" 1
451 1 30 TYR H 1 47 GLU H 5.500 . 5.500 3.927 3.794 4.180 . 0 0 "[ . 1 . 2]" 1
452 1 30 TYR H 1 47 GLU HA 5.500 . 5.500 4.046 3.889 4.228 . 0 0 "[ . 1 . 2]" 1
453 1 30 TYR H 1 50 ILE H 5.500 . 5.500 5.527 5.489 5.585 0.085 12 0 "[ . 1 . 2]" 1
454 1 30 TYR H 1 50 ILE MG 4.500 . 4.500 3.454 3.241 3.564 . 0 0 "[ . 1 . 2]" 1
455 1 30 TYR HA 1 30 TYR QD 3.500 . 3.500 2.843 2.798 2.918 . 0 0 "[ . 1 . 2]" 1
456 1 30 TYR HA 1 31 LEU H 2.800 . 2.800 2.139 2.138 2.143 . 0 0 "[ . 1 . 2]" 1
457 1 30 TYR QB 1 31 LEU H 4.500 . 4.500 3.400 3.313 3.476 . 0 0 "[ . 1 . 2]" 1
458 1 30 TYR QB 1 32 VAL MG2 5.500 . 5.500 4.999 4.825 5.093 . 0 0 "[ . 1 . 2]" 1
459 1 30 TYR QB 1 50 ILE HB . . 3.500 2.297 2.227 2.460 . 0 0 "[ . 1 . 2]" 1
460 1 30 TYR QB 1 50 ILE MG 4.500 . 4.500 1.870 1.839 2.022 . 0 0 "[ . 1 . 2]" 1
461 1 30 TYR QD 1 45 GLU H 5.500 . 5.500 5.360 4.984 5.557 0.057 10 0 "[ . 1 . 2]" 1
462 1 30 TYR QD 1 47 GLU H 4.500 . 4.500 3.563 3.524 3.623 . 0 0 "[ . 1 . 2]" 1
463 1 30 TYR QD 1 47 GLU HA 2.800 . 2.800 2.831 2.808 2.859 0.059 4 0 "[ . 1 . 2]" 1
464 1 30 TYR QD 1 47 GLU QG 4.500 . 4.500 4.077 3.988 4.199 . 0 0 "[ . 1 . 2]" 1
465 1 30 TYR QD 1 48 ASP H 5.500 . 5.500 5.558 5.533 5.585 0.085 20 0 "[ . 1 . 2]" 1
466 1 30 TYR QD 1 50 ILE H 5.500 . 5.500 5.406 5.371 5.504 0.004 10 0 "[ . 1 . 2]" 1
467 1 30 TYR QD 1 50 ILE MD 4.500 . 4.500 3.472 3.332 3.709 . 0 0 "[ . 1 . 2]" 1
468 1 30 TYR QD 1 50 ILE MG 3.500 . 3.500 2.610 2.552 2.737 . 0 0 "[ . 1 . 2]" 1
469 1 30 TYR QD 1 51 ARG H 5.500 . 5.500 5.594 5.563 5.644 0.144 10 0 "[ . 1 . 2]" 1
470 1 30 TYR QD 1 58 VAL MG1 3.500 . 3.500 3.228 3.072 3.519 0.019 12 0 "[ . 1 . 2]" 1
471 1 30 TYR QD 1 58 VAL MG2 3.500 . 3.500 3.151 3.068 3.334 . 0 0 "[ . 1 . 2]" 1
472 1 30 TYR QD 1 62 GLU H 5.500 . 5.500 5.061 4.871 5.380 . 0 0 "[ . 1 . 2]" 1
473 1 31 LEU H 1 31 LEU QB 3.500 . 3.500 2.310 2.249 2.328 . 0 0 "[ . 1 . 2]" 1
474 1 31 LEU H 1 31 LEU MD1 . . 4.500 4.078 3.920 4.249 . 0 0 "[ . 1 . 2]" 1
475 1 31 LEU H 1 32 VAL H 5.500 . 5.500 4.316 4.240 4.371 . 0 0 "[ . 1 . 2]" 1
476 1 31 LEU H 1 32 VAL HB 5.500 . 5.500 5.306 5.230 5.380 . 0 0 "[ . 1 . 2]" 1
477 1 31 LEU H 1 32 VAL MG1 5.500 . 5.500 5.577 5.514 5.644 0.144 14 0 "[ . 1 . 2]" 1
478 1 31 LEU H 1 50 ILE MD 5.500 . 5.500 4.314 4.241 4.551 . 0 0 "[ . 1 . 2]" 1
479 1 31 LEU HA 1 31 LEU MD1 . . 2.800 1.967 1.833 2.224 . 0 0 "[ . 1 . 2]" 1
480 1 31 LEU HA 1 31 LEU HG 4.500 . 4.500 3.250 3.105 3.544 . 0 0 "[ . 1 . 2]" 1
481 1 31 LEU HA 1 32 VAL H 2.800 . 2.800 2.151 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
482 1 31 LEU HA 1 43 THR H 5.500 . 5.500 4.491 4.035 4.805 . 0 0 "[ . 1 . 2]" 1
483 1 31 LEU HA 1 44 TRP H 5.500 . 5.500 4.596 4.382 4.811 . 0 0 "[ . 1 . 2]" 1
484 1 31 LEU HA 1 44 TRP HA 3.500 . 3.500 2.255 2.066 2.441 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU HA 1 45 GLU H 4.500 . 4.500 3.308 3.142 3.556 . 0 0 "[ . 1 . 2]" 1
486 1 31 LEU QB 1 32 VAL H 5.500 . 5.500 3.892 3.826 3.945 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU QB 1 44 TRP HE1 5.500 . 5.500 3.968 2.854 4.607 . 0 0 "[ . 1 . 2]" 1
488 1 31 LEU QB 1 45 GLU H 5.500 . 5.500 4.831 4.658 4.948 . 0 0 "[ . 1 . 2]" 1
489 1 31 LEU MD1 1 32 VAL H 3.500 . 3.500 2.726 2.390 3.104 . 0 0 "[ . 1 . 2]" 1
490 1 31 LEU MD1 1 42 ASN H 5.500 . 5.500 4.516 4.021 5.546 0.046 19 0 "[ . 1 . 2]" 1
491 1 31 LEU MD1 1 42 ASN QB . . 3.500 2.017 1.761 2.854 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU MD1 1 42 ASN QD . . 4.500 3.175 2.682 3.434 . 0 0 "[ . 1 . 2]" 1
493 1 31 LEU MD1 1 43 THR H 4.500 . 4.500 2.663 2.130 2.998 . 0 0 "[ . 1 . 2]" 1
494 1 31 LEU MD1 1 43 THR HA 3.500 . 3.500 3.101 2.971 3.236 . 0 0 "[ . 1 . 2]" 1
495 1 31 LEU MD1 1 43 THR MG 4.500 . 4.500 4.184 3.788 4.419 . 0 0 "[ . 1 . 2]" 1
496 1 31 LEU MD1 1 44 TRP H 4.500 . 4.500 3.254 3.027 3.600 . 0 0 "[ . 1 . 2]" 1
497 1 31 LEU MD1 1 44 TRP HA 3.500 . 3.500 2.370 2.044 2.765 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU MD1 1 44 TRP HD1 3.500 . 3.500 2.542 2.275 3.097 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU MD1 1 44 TRP HE1 3.500 . 3.500 2.833 2.502 3.513 0.013 20 0 "[ . 1 . 2]" 1
500 1 31 LEU MD1 1 45 GLU H 5.500 . 5.500 4.109 3.762 4.605 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU HG 1 32 VAL H 5.500 . 5.500 3.809 3.556 4.272 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU HG 1 42 ASN QB 4.500 . 4.500 2.475 1.966 3.362 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU HG 1 42 ASN QD . . 4.500 2.399 1.933 2.771 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU HG 1 44 TRP HE1 5.500 . 5.500 4.826 4.493 5.165 . 0 0 "[ . 1 . 2]" 1
505 1 32 VAL H 1 32 VAL HB 3.500 . 3.500 2.933 2.858 3.003 . 0 0 "[ . 1 . 2]" 1
506 1 32 VAL H 1 32 VAL MG1 3.500 . 3.500 2.178 2.113 2.249 . 0 0 "[ . 1 . 2]" 1
507 1 32 VAL H 1 32 VAL MG2 4.500 . 4.500 3.898 3.868 3.926 . 0 0 "[ . 1 . 2]" 1
508 1 32 VAL H 1 42 ASN QB 5.500 . 5.500 3.473 3.210 3.806 . 0 0 "[ . 1 . 2]" 1
509 1 32 VAL H 1 43 THR H . . 3.500 3.360 3.099 3.622 0.122 14 0 "[ . 1 . 2]" 1
510 1 32 VAL H 1 44 TRP HA 3.500 . 3.500 3.554 3.253 3.621 0.121 2 0 "[ . 1 . 2]" 1
511 1 32 VAL H 1 45 GLU H 5.500 . 5.500 3.987 3.661 4.238 . 0 0 "[ . 1 . 2]" 1
512 1 32 VAL HA 1 32 VAL MG1 3.500 . 3.500 3.195 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
513 1 32 VAL HA 1 32 VAL MG2 3.500 . 3.500 2.312 2.238 2.338 . 0 0 "[ . 1 . 2]" 1
514 1 32 VAL HA 1 33 LYS H 3.500 . 3.500 2.237 2.191 2.341 . 0 0 "[ . 1 . 2]" 1
515 1 32 VAL HB 1 45 GLU H 5.500 . 5.500 5.436 5.065 5.582 0.082 17 0 "[ . 1 . 2]" 1
516 1 32 VAL MG1 1 33 LYS H 4.500 . 4.500 3.565 3.250 3.685 . 0 0 "[ . 1 . 2]" 1
517 1 32 VAL MG1 1 34 TRP HD1 4.500 . 4.500 3.406 3.308 3.564 . 0 0 "[ . 1 . 2]" 1
518 1 32 VAL MG1 1 34 TRP HE1 4.500 . 4.500 3.546 3.208 3.792 . 0 0 "[ . 1 . 2]" 1
519 1 32 VAL MG1 1 42 ASN QB 4.500 . 4.500 4.002 3.818 4.180 . 0 0 "[ . 1 . 2]" 1
520 1 32 VAL MG1 1 43 THR H 4.500 . 4.500 3.329 2.973 3.501 . 0 0 "[ . 1 . 2]" 1
521 1 32 VAL MG1 1 44 TRP HA 4.500 . 4.500 4.559 4.298 4.640 0.140 1 0 "[ . 1 . 2]" 1
522 1 32 VAL MG1 1 45 GLU H 4.500 . 4.500 4.248 3.819 4.505 0.005 19 0 "[ . 1 . 2]" 1
523 1 32 VAL MG1 1 45 GLU QB 3.500 . 3.500 3.492 3.366 3.586 0.086 14 0 "[ . 1 . 2]" 1
524 1 32 VAL MG1 1 45 GLU QG 3.500 . 3.500 3.135 2.792 3.581 0.081 14 0 "[ . 1 . 2]" 1
525 1 32 VAL MG2 1 33 LYS H . . 3.500 2.136 1.912 2.288 . 0 0 "[ . 1 . 2]" 1
526 1 32 VAL MG2 1 33 LYS QG 3.500 . 3.500 3.038 2.859 3.198 . 0 0 "[ . 1 . 2]" 1
527 1 32 VAL MG2 1 34 TRP H 5.500 . 5.500 4.974 4.900 5.044 . 0 0 "[ . 1 . 2]" 1
528 1 32 VAL MG2 1 34 TRP HD1 5.500 . 5.500 4.221 3.951 4.452 . 0 0 "[ . 1 . 2]" 1
529 1 32 VAL MG2 1 34 TRP HE1 5.500 . 5.500 5.282 4.894 5.548 0.048 18 0 "[ . 1 . 2]" 1
530 1 32 VAL MG2 1 45 GLU QG 5.500 . 5.500 5.418 5.073 5.774 0.274 14 0 "[ . 1 . 2]" 1
531 1 32 VAL MG2 1 50 ILE MD 3.500 . 3.500 3.116 2.867 3.363 . 0 0 "[ . 1 . 2]" 1
532 1 32 VAL MG2 1 50 ILE QG 4.500 . 4.500 4.201 3.996 4.307 . 0 0 "[ . 1 . 2]" 1
533 1 32 VAL MG2 1 54 TYR QD 4.500 . 4.500 3.772 2.726 4.049 . 0 0 "[ . 1 . 2]" 1
534 1 33 LYS H 1 33 LYS QB 3.500 . 3.500 2.739 2.652 2.941 . 0 0 "[ . 1 . 2]" 1
535 1 33 LYS H 1 33 LYS QG 3.500 . 3.500 1.899 1.814 1.996 . 0 0 "[ . 1 . 2]" 1
536 1 33 LYS H 1 39 SER HA 5.500 . 5.500 5.479 5.186 5.729 0.229 8 0 "[ . 1 . 2]" 1
537 1 33 LYS HA 1 38 SER H 5.500 . 5.500 4.935 4.558 5.396 . 0 0 "[ . 1 . 2]" 1
538 1 33 LYS QB 1 36 ASN H 3.500 . 3.500 3.194 2.892 3.459 . 0 0 "[ . 1 . 2]" 1
539 1 33 LYS QB 1 37 TYR H 5.500 . 5.500 3.935 3.043 5.353 . 0 0 "[ . 1 . 2]" 1
540 1 33 LYS QG 1 36 ASN QD 5.500 . 5.500 3.731 3.077 4.735 . 0 0 "[ . 1 . 2]" 1
541 1 34 TRP H 1 34 TRP QB . . 3.500 2.741 2.568 2.943 . 0 0 "[ . 1 . 2]" 1
542 1 34 TRP H 1 37 TYR H 5.500 . 5.500 3.325 2.629 4.913 . 0 0 "[ . 1 . 2]" 1
543 1 34 TRP H 1 39 SER HA 5.500 . 5.500 4.544 3.750 5.213 . 0 0 "[ . 1 . 2]" 1
544 1 34 TRP H 1 42 ASN H 5.500 . 5.500 5.311 4.674 5.615 0.115 4 0 "[ . 1 . 2]" 1
545 1 34 TRP HA 1 35 LYS H 3.500 . 3.500 2.273 2.184 2.445 . 0 0 "[ . 1 . 2]" 1
546 1 34 TRP QB 1 35 LYS H 4.500 . 4.500 3.754 3.613 3.891 . 0 0 "[ . 1 . 2]" 1
547 1 34 TRP QB 1 36 ASN H 4.500 . 4.500 4.537 4.445 4.641 0.141 12 0 "[ . 1 . 2]" 1
548 1 34 TRP QB 1 37 TYR QD 4.500 . 4.500 3.592 3.163 3.992 . 0 0 "[ . 1 . 2]" 1
549 1 34 TRP HE1 1 42 ASN HA 5.500 . 5.500 4.200 3.404 4.795 . 0 0 "[ . 1 . 2]" 1
550 1 34 TRP HE1 1 42 ASN QB 5.500 . 5.500 5.090 4.470 5.623 0.123 6 0 "[ . 1 . 2]" 1
551 1 34 TRP HE1 1 43 THR H . . 3.500 3.466 3.023 3.684 0.184 7 0 "[ . 1 . 2]" 1
552 1 34 TRP HE1 1 43 THR HB 5.500 . 5.500 3.704 3.483 3.928 . 0 0 "[ . 1 . 2]" 1
553 1 34 TRP HE1 1 43 THR MG 3.500 . 3.500 2.588 1.787 3.539 0.039 12 0 "[ . 1 . 2]" 1
554 1 34 TRP HH2 1 43 THR MG 4.500 . 4.500 3.723 3.192 4.551 0.051 7 0 "[ . 1 . 2]" 1
555 1 34 TRP HZ2 1 43 THR H 4.500 . 4.500 4.165 3.739 4.540 0.040 6 0 "[ . 1 . 2]" 1
556 1 34 TRP HZ2 1 43 THR MG 4.500 . 4.500 2.038 1.880 2.565 . 0 0 "[ . 1 . 2]" 1
557 1 35 LYS H 1 35 LYS QB 3.500 . 3.500 2.904 2.789 3.384 . 0 0 "[ . 1 . 2]" 1
558 1 35 LYS H 1 36 ASN QD 5.500 . 5.500 5.149 4.869 5.577 0.077 16 0 "[ . 1 . 2]" 1
559 1 35 LYS HA 1 35 LYS QB 2.800 . 2.800 2.432 2.180 2.531 . 0 0 "[ . 1 . 2]" 1
560 1 35 LYS HA 1 36 ASN H 2.800 . 2.800 2.846 2.742 2.886 0.086 17 0 "[ . 1 . 2]" 1
561 1 35 LYS HA 1 36 ASN QD 5.500 . 5.500 4.180 3.617 4.449 . 0 0 "[ . 1 . 2]" 1
562 1 35 LYS QB 1 36 ASN QB 5.500 . 5.500 4.217 3.987 4.403 . 0 0 "[ . 1 . 2]" 1
563 1 35 LYS QB 1 36 ASN QD 5.500 . 5.500 5.449 4.606 5.577 0.077 6 0 "[ . 1 . 2]" 1
564 1 35 LYS QB 1 37 TYR H 5.500 . 5.500 3.624 2.873 5.320 . 0 0 "[ . 1 . 2]" 1
565 1 36 ASN H 1 36 ASN HA 2.800 . 2.800 2.276 2.273 2.287 . 0 0 "[ . 1 . 2]" 1
566 1 36 ASN H 1 36 ASN QD 5.500 . 5.500 3.147 2.426 3.860 . 0 0 "[ . 1 . 2]" 1
567 1 36 ASN H 1 37 TYR H 3.500 . 3.500 2.721 2.581 3.359 . 0 0 "[ . 1 . 2]" 1
568 1 36 ASN H 1 39 SER H 5.500 . 5.500 5.306 4.553 5.724 0.224 11 0 "[ . 1 . 2]" 1
569 1 36 ASN HA 1 37 TYR H 3.500 . 3.500 3.035 2.581 3.550 0.050 16 0 "[ . 1 . 2]" 1
570 1 36 ASN HA 1 38 SER H 4.500 . 4.500 3.848 3.277 4.532 0.032 6 0 "[ . 1 . 2]" 1
571 1 37 TYR H 1 37 TYR QB . . 2.800 2.279 2.236 2.469 . 0 0 "[ . 1 . 2]" 1
572 1 37 TYR H 1 37 TYR QD 4.500 . 4.500 4.170 4.089 4.224 . 0 0 "[ . 1 . 2]" 1
573 1 37 TYR H 1 38 SER H 5.500 . 5.500 2.525 2.094 3.236 . 0 0 "[ . 1 . 2]" 1
574 1 37 TYR HA 1 38 SER H 3.500 . 3.500 3.508 3.433 3.570 0.070 15 0 "[ . 1 . 2]" 1
575 1 37 TYR QB 1 38 SER H 4.500 . 4.500 2.663 2.124 3.023 . 0 0 "[ . 1 . 2]" 1
576 1 37 TYR QD 1 38 SER H 5.500 . 5.500 3.255 2.478 3.884 . 0 0 "[ . 1 . 2]" 1
577 1 37 TYR QD 1 41 ASP QB 4.500 . 4.500 4.571 4.513 4.670 0.170 6 0 "[ . 1 . 2]" 1
578 1 38 SER H 1 38 SER QB . . 3.500 2.716 2.156 3.268 . 0 0 "[ . 1 . 2]" 1
579 1 38 SER HA 1 39 SER H 4.500 . 4.500 2.874 2.420 3.568 . 0 0 "[ . 1 . 2]" 1
580 1 38 SER HA 1 40 LYS H 4.500 . 4.500 3.464 3.050 4.417 . 0 0 "[ . 1 . 2]" 1
581 1 38 SER HA 1 42 ASN H 5.500 . 5.500 5.049 4.595 5.552 0.052 8 0 "[ . 1 . 2]" 1
582 1 39 SER H 1 40 LYS H 5.500 . 5.500 3.031 2.549 3.954 . 0 0 "[ . 1 . 2]" 1
583 1 39 SER HA 1 40 LYS H 4.500 . 4.500 3.494 3.390 3.569 . 0 0 "[ . 1 . 2]" 1
584 1 39 SER HA 1 42 ASN H 5.500 . 5.500 4.483 3.738 5.030 . 0 0 "[ . 1 . 2]" 1
585 1 39 SER HA 1 42 ASN QD 5.500 . 5.500 3.561 2.263 4.054 . 0 0 "[ . 1 . 2]" 1
586 1 39 SER QB 1 40 LYS H 4.500 . 4.500 2.907 2.014 3.684 . 0 0 "[ . 1 . 2]" 1
587 1 39 SER QB 1 42 ASN QD 5.500 . 5.500 4.472 3.253 5.128 . 0 0 "[ . 1 . 2]" 1
588 1 40 LYS H 1 40 LYS QB 3.500 . 3.500 2.539 2.255 2.994 . 0 0 "[ . 1 . 2]" 1
589 1 40 LYS H 1 40 LYS QD 3.500 . 3.500 2.335 1.858 3.647 0.147 8 0 "[ . 1 . 2]" 1
590 1 40 LYS H 1 40 LYS QE 5.500 . 5.500 4.198 3.683 5.479 . 0 0 "[ . 1 . 2]" 1
591 1 40 LYS H 1 41 ASP H 3.500 . 3.500 2.256 1.965 2.776 . 0 0 "[ . 1 . 2]" 1
592 1 40 LYS H 1 41 ASP HA 5.500 . 5.500 4.946 4.699 5.377 . 0 0 "[ . 1 . 2]" 1
593 1 40 LYS H 1 41 ASP QB 5.500 . 5.500 4.074 3.750 4.575 . 0 0 "[ . 1 . 2]" 1
594 1 40 LYS H 1 42 ASN H 5.500 . 5.500 4.148 3.639 4.875 . 0 0 "[ . 1 . 2]" 1
595 1 40 LYS HA 1 40 LYS QB 2.800 . 2.800 2.268 2.154 2.383 . 0 0 "[ . 1 . 2]" 1
596 1 40 LYS HA 1 40 LYS QD 3.500 . 3.500 3.495 3.236 3.636 0.136 19 0 "[ . 1 . 2]" 1
597 1 40 LYS HA 1 41 ASP H 3.500 . 3.500 3.476 3.391 3.569 0.069 17 0 "[ . 1 . 2]" 1
598 1 40 LYS HA 1 42 ASN H 5.500 . 5.500 4.395 3.409 5.782 0.282 7 0 "[ . 1 . 2]" 1
599 1 40 LYS QB 1 40 LYS QD 2.800 . 2.800 2.153 2.067 2.455 . 0 0 "[ . 1 . 2]" 1
600 1 40 LYS QB 1 41 ASP H 3.500 . 3.500 3.113 2.229 3.684 0.184 7 0 "[ . 1 . 2]" 1
601 1 40 LYS QD 1 41 ASP H 3.500 . 3.500 3.081 1.919 3.646 0.146 20 0 "[ . 1 . 2]" 1
602 1 40 LYS QD 1 42 ASN H 5.500 . 5.500 4.987 4.111 5.612 0.112 1 0 "[ . 1 . 2]" 1
603 1 40 LYS QD 1 42 ASN QD 5.500 . 5.500 5.543 5.115 5.677 0.177 9 0 "[ . 1 . 2]" 1
604 1 40 LYS QG 1 42 ASN QD 5.500 . 5.500 5.360 4.898 5.669 0.169 16 0 "[ . 1 . 2]" 1
605 1 41 ASP H 1 41 ASP QB 2.800 . 2.800 2.248 2.105 2.516 . 0 0 "[ . 1 . 2]" 1
606 1 41 ASP H 1 42 ASN H 3.500 . 3.500 2.699 2.539 2.945 . 0 0 "[ . 1 . 2]" 1
607 1 41 ASP QB 1 42 ASN H 5.500 . 5.500 2.883 1.897 3.786 . 0 0 "[ . 1 . 2]" 1
608 1 42 ASN H 1 42 ASN QB 3.500 . 3.500 2.919 2.562 3.420 . 0 0 "[ . 1 . 2]" 1
609 1 42 ASN H 1 42 ASN QD 5.500 . 5.500 3.723 3.096 4.329 . 0 0 "[ . 1 . 2]" 1
610 1 42 ASN HA 1 43 THR H 3.500 . 3.500 2.472 2.269 2.778 . 0 0 "[ . 1 . 2]" 1
611 1 42 ASN QB 1 43 THR H . . 3.500 2.357 1.861 2.771 . 0 0 "[ . 1 . 2]" 1
612 1 42 ASN QD 1 44 TRP HE1 5.500 . 5.500 5.276 4.539 5.555 0.055 11 0 "[ . 1 . 2]" 1
613 1 43 THR H 1 43 THR MG 3.500 . 3.500 3.165 1.896 3.566 0.066 11 0 "[ . 1 . 2]" 1
614 1 43 THR H 1 44 TRP H 5.500 . 5.500 4.466 4.307 4.557 . 0 0 "[ . 1 . 2]" 1
615 1 43 THR HA 1 43 THR MG 3.500 . 3.500 2.321 2.020 3.202 . 0 0 "[ . 1 . 2]" 1
616 1 43 THR HA 1 44 TRP H 2.800 . 2.800 2.268 2.185 2.419 . 0 0 "[ . 1 . 2]" 1
617 1 43 THR HB 1 44 TRP H 3.500 . 3.500 3.159 2.837 3.726 0.226 7 0 "[ . 1 . 2]" 1
618 1 43 THR MG 1 44 TRP H 3.500 . 3.500 3.256 2.824 3.585 0.085 3 0 "[ . 1 . 2]" 1
619 1 44 TRP H 1 44 TRP QB 3.500 . 3.500 2.584 2.297 2.725 . 0 0 "[ . 1 . 2]" 1
620 1 44 TRP H 1 44 TRP HD1 4.500 . 4.500 4.313 3.074 4.698 0.198 20 0 "[ . 1 . 2]" 1
621 1 44 TRP H 1 44 TRP HE1 5.500 . 5.500 5.389 5.290 5.627 0.127 20 0 "[ . 1 . 2]" 1
622 1 44 TRP H 1 45 GLU H 5.500 . 5.500 4.379 4.163 4.549 . 0 0 "[ . 1 . 2]" 1
623 1 44 TRP HA 1 44 TRP HE1 5.500 . 5.500 5.280 5.067 5.364 . 0 0 "[ . 1 . 2]" 1
624 1 44 TRP HA 1 45 GLU H 2.800 . 2.800 2.159 2.141 2.238 . 0 0 "[ . 1 . 2]" 1
625 1 44 TRP QB 1 45 GLU H 4.500 . 4.500 3.321 2.827 3.607 . 0 0 "[ . 1 . 2]" 1
626 1 44 TRP QB 1 45 GLU HA 5.500 . 5.500 4.177 4.044 4.338 . 0 0 "[ . 1 . 2]" 1
627 1 45 GLU H 1 45 GLU HA 2.800 . 2.800 2.940 2.926 2.948 0.148 8 0 "[ . 1 . 2]" 1
628 1 45 GLU H 1 45 GLU QB 3.500 . 3.500 2.529 2.376 2.701 . 0 0 "[ . 1 . 2]" 1
629 1 45 GLU H 1 45 GLU QG . . 3.500 3.221 2.951 3.482 . 0 0 "[ . 1 . 2]" 1
630 1 45 GLU H 1 50 ILE MD 5.500 . 5.500 3.170 2.819 3.628 . 0 0 "[ . 1 . 2]" 1
631 1 45 GLU HA 1 46 THR H 2.800 . 2.800 2.143 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
632 1 45 GLU HA 1 49 ASP H 5.500 . 5.500 5.656 5.626 5.688 0.188 18 0 "[ . 1 . 2]" 1
633 1 45 GLU QB 1 46 THR H 3.500 . 3.500 3.267 3.240 3.340 . 0 0 "[ . 1 . 2]" 1
634 1 45 GLU QB 1 49 ASP H 5.500 . 5.500 4.262 4.203 4.360 . 0 0 "[ . 1 . 2]" 1
635 1 45 GLU QB 1 50 ILE H 4.500 . 4.500 3.655 3.573 3.754 . 0 0 "[ . 1 . 2]" 1
636 1 45 GLU QB 1 50 ILE HA 3.500 . 3.500 2.812 2.686 2.915 . 0 0 "[ . 1 . 2]" 1
637 1 45 GLU QB 1 50 ILE HB 4.500 . 4.500 2.265 2.040 2.406 . 0 0 "[ . 1 . 2]" 1
638 1 45 GLU QB 1 50 ILE MD 2.800 . 2.800 1.959 1.911 2.058 . 0 0 "[ . 1 . 2]" 1
639 1 45 GLU QB 1 51 ARG H 5.500 . 5.500 5.174 5.112 5.267 . 0 0 "[ . 1 . 2]" 1
640 1 46 THR H 1 46 THR HB 3.500 . 3.500 3.535 3.527 3.574 0.074 20 0 "[ . 1 . 2]" 1
641 1 46 THR H 1 46 THR MG 2.800 . 2.800 2.801 2.669 2.825 0.025 4 0 "[ . 1 . 2]" 1
642 1 46 THR H 1 47 GLU H 5.500 . 5.500 4.642 4.634 4.645 . 0 0 "[ . 1 . 2]" 1
643 1 46 THR H 1 49 ASP H 5.500 . 5.500 4.337 4.302 4.379 . 0 0 "[ . 1 . 2]" 1
644 1 46 THR H 1 49 ASP QB 4.500 . 4.500 2.842 2.695 3.077 . 0 0 "[ . 1 . 2]" 1
645 1 46 THR H 1 50 ILE H 5.500 . 5.500 5.060 4.991 5.192 . 0 0 "[ . 1 . 2]" 1
646 1 46 THR H 1 50 ILE MD 5.500 . 5.500 5.395 5.159 5.501 0.001 18 0 "[ . 1 . 2]" 1
647 1 46 THR HA 1 46 THR MG 2.800 . 2.800 2.174 2.166 2.182 . 0 0 "[ . 1 . 2]" 1
648 1 46 THR HA 1 47 GLU H 3.500 . 3.500 2.285 2.261 2.297 . 0 0 "[ . 1 . 2]" 1
649 1 46 THR HA 1 48 ASP H 4.500 . 4.500 3.917 3.870 3.957 . 0 0 "[ . 1 . 2]" 1
650 1 46 THR HA 1 49 ASP QB 5.500 . 5.500 4.374 4.302 4.577 . 0 0 "[ . 1 . 2]" 1
651 1 46 THR HB 1 47 GLU H 2.800 . 2.800 2.855 2.818 2.913 0.113 7 0 "[ . 1 . 2]" 1
652 1 46 THR MG 1 47 GLU H 4.500 . 4.500 3.047 2.993 3.187 . 0 0 "[ . 1 . 2]" 1
653 1 46 THR MG 1 48 ASP H 4.500 . 4.500 3.700 3.658 3.775 . 0 0 "[ . 1 . 2]" 1
654 1 46 THR MG 1 49 ASP H 4.500 . 4.500 4.487 4.358 4.576 0.076 10 0 "[ . 1 . 2]" 1
655 1 47 GLU H 1 47 GLU QB 3.500 . 3.500 2.198 2.186 2.205 . 0 0 "[ . 1 . 2]" 1
656 1 47 GLU H 1 47 GLU QG 4.500 . 4.500 3.912 3.896 3.920 . 0 0 "[ . 1 . 2]" 1
657 1 47 GLU H 1 48 ASP H 3.500 . 3.500 2.661 2.641 2.667 . 0 0 "[ . 1 . 2]" 1
658 1 47 GLU H 1 48 ASP QB 4.500 . 4.500 4.428 4.356 4.585 0.085 16 0 "[ . 1 . 2]" 1
659 1 47 GLU H 1 50 ILE MG 4.500 . 4.500 3.908 3.795 3.988 . 0 0 "[ . 1 . 2]" 1
660 1 47 GLU HA 1 47 GLU QG 2.800 . 2.800 2.629 2.618 2.651 . 0 0 "[ . 1 . 2]" 1
661 1 47 GLU HA 1 48 ASP H 4.500 . 4.500 3.439 3.413 3.454 . 0 0 "[ . 1 . 2]" 1
662 1 47 GLU HA 1 49 ASP H 4.500 . 4.500 3.750 3.718 3.834 . 0 0 "[ . 1 . 2]" 1
663 1 47 GLU HA 1 50 ILE H . . 3.500 3.495 3.454 3.524 0.024 7 0 "[ . 1 . 2]" 1
664 1 47 GLU HA 1 50 ILE HB 5.500 . 5.500 3.866 3.607 4.030 . 0 0 "[ . 1 . 2]" 1
665 1 47 GLU HA 1 50 ILE MG 3.500 . 3.500 1.875 1.840 1.902 . 0 0 "[ . 1 . 2]" 1
666 1 47 GLU HA 1 51 ARG H 4.500 . 4.500 4.070 3.788 4.159 . 0 0 "[ . 1 . 2]" 1
667 1 47 GLU QB 1 48 ASP H 3.500 . 3.500 3.047 2.997 3.133 . 0 0 "[ . 1 . 2]" 1
668 1 47 GLU QB 1 49 ASP H 5.500 . 5.500 4.650 4.620 4.694 . 0 0 "[ . 1 . 2]" 1
669 1 47 GLU QB 1 50 ILE H 5.500 . 5.500 5.109 5.081 5.138 . 0 0 "[ . 1 . 2]" 1
670 1 47 GLU QB 1 51 ARG H 5.500 . 5.500 5.594 5.361 5.652 0.152 3 0 "[ . 1 . 2]" 1
671 1 47 GLU QG 1 48 ASP H 3.500 . 3.500 3.598 3.565 3.638 0.138 4 0 "[ . 1 . 2]" 1
672 1 47 GLU QG 1 49 ASP H 5.500 . 5.500 4.766 4.728 4.829 . 0 0 "[ . 1 . 2]" 1
673 1 47 GLU QG 1 50 ILE H 5.500 . 5.500 4.873 4.816 4.911 . 0 0 "[ . 1 . 2]" 1
674 1 47 GLU QG 1 51 ARG H 5.500 . 5.500 4.594 4.390 4.671 . 0 0 "[ . 1 . 2]" 1
675 1 47 GLU QG 1 51 ARG QD 4.500 . 4.500 3.834 3.349 4.600 0.100 10 0 "[ . 1 . 2]" 1
676 1 48 ASP H 1 48 ASP HA . . 2.800 2.925 2.920 2.929 0.129 3 0 "[ . 1 . 2]" 1
677 1 48 ASP H 1 48 ASP QB 2.800 . 2.800 2.259 2.186 2.442 . 0 0 "[ . 1 . 2]" 1
678 1 48 ASP H 1 49 ASP H 3.500 . 3.500 2.311 2.251 2.344 . 0 0 "[ . 1 . 2]" 1
679 1 48 ASP H 1 49 ASP QB 5.500 . 5.500 4.037 3.871 4.196 . 0 0 "[ . 1 . 2]" 1
680 1 48 ASP H 1 50 ILE H 4.500 . 4.500 3.801 3.746 3.842 . 0 0 "[ . 1 . 2]" 1
681 1 48 ASP H 1 50 ILE MG 5.500 . 5.500 4.048 3.966 4.096 . 0 0 "[ . 1 . 2]" 1
682 1 48 ASP HA 1 48 ASP QB 2.800 . 2.800 2.488 2.165 2.540 . 0 0 "[ . 1 . 2]" 1
683 1 48 ASP HA 1 49 ASP H 3.500 . 3.500 3.264 3.252 3.307 . 0 0 "[ . 1 . 2]" 1
684 1 49 ASP H 1 49 ASP QB 2.800 . 2.800 2.536 2.494 2.583 . 0 0 "[ . 1 . 2]" 1
685 1 49 ASP H 1 50 ILE H 3.500 . 3.500 1.893 1.863 1.964 . 0 0 "[ . 1 . 2]" 1
686 1 49 ASP H 1 50 ILE HB 4.500 . 4.500 4.152 3.977 4.256 . 0 0 "[ . 1 . 2]" 1
687 1 49 ASP H 1 50 ILE MG . . 4.500 3.240 3.184 3.287 . 0 0 "[ . 1 . 2]" 1
688 1 49 ASP H 1 51 ARG H 4.500 . 4.500 3.651 3.612 3.787 . 0 0 "[ . 1 . 2]" 1
689 1 49 ASP H 1 51 ARG QD 5.500 . 5.500 3.695 3.547 4.014 . 0 0 "[ . 1 . 2]" 1
690 1 49 ASP HA 1 50 ILE H 4.500 . 4.500 3.320 3.239 3.359 . 0 0 "[ . 1 . 2]" 1
691 1 49 ASP HA 1 51 ARG H 5.500 . 5.500 4.398 4.345 4.508 . 0 0 "[ . 1 . 2]" 1
692 1 49 ASP HA 1 52 THR H 5.500 . 5.500 3.665 3.606 3.786 . 0 0 "[ . 1 . 2]" 1
693 1 49 ASP HA 1 52 THR MG 4.500 . 4.500 1.911 1.858 2.169 . 0 0 "[ . 1 . 2]" 1
694 1 49 ASP HA 1 53 LYS H 5.500 . 5.500 4.387 4.212 4.513 . 0 0 "[ . 1 . 2]" 1
695 1 49 ASP HA 1 53 LYS QG 5.500 . 5.500 3.799 3.288 5.629 0.129 12 0 "[ . 1 . 2]" 1
696 1 49 ASP QB 1 50 ILE H 3.500 . 3.500 3.277 3.191 3.436 . 0 0 "[ . 1 . 2]" 1
697 1 49 ASP QB 1 51 ARG H 5.500 . 5.500 5.057 5.027 5.229 . 0 0 "[ . 1 . 2]" 1
698 1 49 ASP QB 1 52 THR H 5.500 . 5.500 5.164 5.065 5.393 . 0 0 "[ . 1 . 2]" 1
699 1 49 ASP QB 1 53 LYS H 5.500 . 5.500 5.392 5.175 5.578 0.078 6 0 "[ . 1 . 2]" 1
700 1 50 ILE H 1 50 ILE HB 3.500 . 3.500 2.827 2.796 2.852 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE H 1 50 ILE MD 4.500 . 4.500 4.441 4.420 4.461 . 0 0 "[ . 1 . 2]" 1
702 1 50 ILE H 1 50 ILE QG 4.500 . 4.500 4.030 4.022 4.051 . 0 0 "[ . 1 . 2]" 1
703 1 50 ILE H 1 50 ILE MG 3.500 . 3.500 1.960 1.911 2.008 . 0 0 "[ . 1 . 2]" 1
704 1 50 ILE H 1 51 ARG H 3.500 . 3.500 2.167 2.100 2.189 . 0 0 "[ . 1 . 2]" 1
705 1 50 ILE H 1 51 ARG HA 5.500 . 5.500 4.874 4.814 4.893 . 0 0 "[ . 1 . 2]" 1
706 1 50 ILE H 1 51 ARG QB 4.500 . 4.500 4.113 3.988 4.735 0.235 10 0 "[ . 1 . 2]" 1
707 1 50 ILE H 1 51 ARG QD 3.500 . 3.500 3.220 2.994 3.511 0.011 16 0 "[ . 1 . 2]" 1
708 1 50 ILE H 1 52 THR MG 4.500 . 4.500 3.668 3.545 3.751 . 0 0 "[ . 1 . 2]" 1
709 1 50 ILE H 1 53 LYS QG 5.500 . 5.500 5.188 4.873 5.947 0.447 12 0 "[ . 1 . 2]" 1
710 1 50 ILE H 1 58 VAL MG1 5.500 . 5.500 4.939 4.835 5.063 . 0 0 "[ . 1 . 2]" 1
711 1 50 ILE HA 1 50 ILE MD 3.500 . 3.500 2.828 2.712 2.984 . 0 0 "[ . 1 . 2]" 1
712 1 50 ILE HA 1 50 ILE MG 3.500 . 3.500 3.188 3.187 3.195 . 0 0 "[ . 1 . 2]" 1
713 1 50 ILE HA 1 51 ARG H 3.500 . 3.500 3.509 3.501 3.532 0.032 10 0 "[ . 1 . 2]" 1
714 1 50 ILE HA 1 53 LYS QB 3.500 . 3.500 3.330 2.805 3.517 0.017 14 0 "[ . 1 . 2]" 1
715 1 50 ILE HA 1 54 TYR H 3.500 . 3.500 3.340 3.063 3.445 . 0 0 "[ . 1 . 2]" 1
716 1 50 ILE HA 1 54 TYR QD 3.500 . 3.500 2.303 1.904 2.731 . 0 0 "[ . 1 . 2]" 1
717 1 50 ILE HA 1 55 GLY H 5.500 . 5.500 5.624 5.555 5.675 0.175 15 0 "[ . 1 . 2]" 1
718 1 50 ILE HB 1 50 ILE MD 3.500 . 3.500 2.165 2.016 2.224 . 0 0 "[ . 1 . 2]" 1
719 1 50 ILE HB 1 50 ILE QG 2.800 . 2.800 2.535 2.530 2.540 . 0 0 "[ . 1 . 2]" 1
720 1 50 ILE HB 1 51 ARG H 4.500 . 4.500 3.962 3.872 3.984 . 0 0 "[ . 1 . 2]" 1
721 1 50 ILE HB 1 54 TYR H 5.500 . 5.500 5.514 5.296 5.642 0.142 10 0 "[ . 1 . 2]" 1
722 1 50 ILE MD 1 53 LYS H 5.500 . 5.500 5.560 5.515 5.670 0.170 14 0 "[ . 1 . 2]" 1
723 1 50 ILE MD 1 54 TYR QD 3.500 . 3.500 2.098 1.935 3.078 . 0 0 "[ . 1 . 2]" 1
724 1 50 ILE MD 1 54 TYR QE 4.500 . 4.500 2.871 2.698 3.444 . 0 0 "[ . 1 . 2]" 1
725 1 50 ILE QG 1 51 ARG H 4.500 . 4.500 3.818 3.761 3.880 . 0 0 "[ . 1 . 2]" 1
726 1 50 ILE QG 1 54 TYR H 5.500 . 5.500 3.532 3.415 3.707 . 0 0 "[ . 1 . 2]" 1
727 1 50 ILE QG 1 55 GLY H 5.500 . 5.500 5.096 5.059 5.164 . 0 0 "[ . 1 . 2]" 1
728 1 50 ILE QG 1 57 LEU QB 5.500 . 5.500 5.386 5.264 5.524 0.024 10 0 "[ . 1 . 2]" 1
729 1 50 ILE QG 1 58 VAL H 5.500 . 5.500 4.444 4.341 4.553 . 0 0 "[ . 1 . 2]" 1
730 1 50 ILE QG 1 58 VAL MG1 3.500 . 3.500 3.382 3.197 3.539 0.039 12 0 "[ . 1 . 2]" 1
731 1 50 ILE QG 1 58 VAL MG2 3.500 . 3.500 1.905 1.827 1.977 . 0 0 "[ . 1 . 2]" 1
732 1 50 ILE MG 1 51 ARG H 3.500 . 3.500 1.868 1.844 1.883 . 0 0 "[ . 1 . 2]" 1
733 1 50 ILE MG 1 51 ARG HA 4.500 . 4.500 3.440 3.342 3.477 . 0 0 "[ . 1 . 2]" 1
734 1 50 ILE MG 1 51 ARG QB 2.800 . 2.800 2.833 2.785 3.107 0.307 10 0 "[ . 1 . 2]" 1
735 1 50 ILE MG 1 51 ARG QD 3.500 . 3.500 3.300 3.181 3.622 0.122 10 0 "[ . 1 . 2]" 1
736 1 50 ILE MG 1 52 THR H . . 4.500 3.975 3.899 4.047 . 0 0 "[ . 1 . 2]" 1
737 1 50 ILE MG 1 53 LYS H 5.500 . 5.500 4.959 4.767 5.040 . 0 0 "[ . 1 . 2]" 1
738 1 50 ILE MG 1 54 TYR H 5.500 . 5.500 4.785 4.648 4.827 . 0 0 "[ . 1 . 2]" 1
739 1 50 ILE MG 1 54 TYR QB 4.500 . 4.500 4.320 4.019 4.453 . 0 0 "[ . 1 . 2]" 1
740 1 50 ILE MG 1 54 TYR QD 4.500 . 4.500 4.262 4.127 4.439 . 0 0 "[ . 1 . 2]" 1
741 1 50 ILE MG 1 58 VAL MG2 2.800 . 2.800 1.922 1.894 2.007 . 0 0 "[ . 1 . 2]" 1
742 1 51 ARG H 1 51 ARG QB 2.800 . 2.800 2.269 2.145 2.848 0.048 10 0 "[ . 1 . 2]" 1
743 1 51 ARG H 1 51 ARG QD 5.500 . 5.500 2.052 1.892 2.505 . 0 0 "[ . 1 . 2]" 1
744 1 51 ARG H 1 52 THR H 3.500 . 3.500 2.416 2.393 2.436 . 0 0 "[ . 1 . 2]" 1
745 1 51 ARG H 1 52 THR MG 4.500 . 4.500 3.667 3.506 3.797 . 0 0 "[ . 1 . 2]" 1
746 1 51 ARG H 1 53 LYS H 5.500 . 5.500 4.044 3.747 4.167 . 0 0 "[ . 1 . 2]" 1
747 1 51 ARG H 1 54 TYR QB 5.500 . 5.500 5.290 5.015 5.402 . 0 0 "[ . 1 . 2]" 1
748 1 51 ARG H 1 58 VAL MG2 4.500 . 4.500 3.305 3.187 3.433 . 0 0 "[ . 1 . 2]" 1
749 1 51 ARG HA 1 51 ARG QB 2.800 . 2.800 2.157 2.149 2.164 . 0 0 "[ . 1 . 2]" 1
750 1 51 ARG HA 1 51 ARG QD 4.500 . 4.500 3.634 3.597 3.706 . 0 0 "[ . 1 . 2]" 1
751 1 51 ARG HA 1 51 ARG QG 3.500 . 3.500 3.315 3.209 3.379 . 0 0 "[ . 1 . 2]" 1
752 1 51 ARG HA 1 52 THR H 4.500 . 4.500 3.411 3.398 3.495 . 0 0 "[ . 1 . 2]" 1
753 1 51 ARG HA 1 53 LYS H 5.500 . 5.500 4.262 4.108 4.345 . 0 0 "[ . 1 . 2]" 1
754 1 51 ARG HA 1 54 TYR H 4.500 . 4.500 3.627 3.547 3.746 . 0 0 "[ . 1 . 2]" 1
755 1 51 ARG HA 1 54 TYR QB 4.500 . 4.500 4.190 3.928 4.302 . 0 0 "[ . 1 . 2]" 1
756 1 51 ARG HA 1 55 GLY H 4.500 . 4.500 3.374 3.168 3.707 . 0 0 "[ . 1 . 2]" 1
757 1 51 ARG HA 1 55 GLY QA 4.500 . 4.500 2.004 1.876 2.397 . 0 0 "[ . 1 . 2]" 1
758 1 51 ARG HA 1 58 VAL MG2 3.500 . 3.500 1.978 1.924 2.153 . 0 0 "[ . 1 . 2]" 1
759 1 51 ARG QB 1 51 ARG QD 2.800 . 2.800 2.278 2.158 2.331 . 0 0 "[ . 1 . 2]" 1
760 1 51 ARG QB 1 52 THR H 3.500 . 3.500 3.592 3.447 3.628 0.128 17 0 "[ . 1 . 2]" 1
761 1 51 ARG QB 1 54 TYR H 5.500 . 5.500 5.154 5.097 5.197 . 0 0 "[ . 1 . 2]" 1
762 1 51 ARG QB 1 54 TYR QB 5.500 . 5.500 5.546 5.299 5.647 0.147 12 0 "[ . 1 . 2]" 1
763 1 51 ARG QB 1 55 GLY QA 5.500 . 5.500 2.964 2.831 3.434 . 0 0 "[ . 1 . 2]" 1
764 1 51 ARG QB 1 58 VAL MG1 . . 2.800 2.139 1.887 2.235 . 0 0 "[ . 1 . 2]" 1
765 1 51 ARG QB 1 58 VAL MG2 . . 3.500 3.096 2.997 3.224 . 0 0 "[ . 1 . 2]" 1
766 1 51 ARG QD 1 52 THR H 5.500 . 5.500 2.053 1.926 2.293 . 0 0 "[ . 1 . 2]" 1
767 1 51 ARG QD 1 53 LYS H 5.500 . 5.500 4.164 4.081 4.261 . 0 0 "[ . 1 . 2]" 1
768 1 51 ARG QG 1 52 THR H 4.500 . 4.500 3.216 2.687 3.448 . 0 0 "[ . 1 . 2]" 1
769 1 51 ARG QG 1 54 TYR H 5.500 . 5.500 5.576 5.519 5.655 0.155 10 0 "[ . 1 . 2]" 1
770 1 51 ARG QG 1 55 GLY H 5.500 . 5.500 5.049 4.829 5.866 0.366 10 0 "[ . 1 . 2]" 1
771 1 51 ARG QG 1 55 GLY QA 5.500 . 5.500 3.761 3.449 4.488 . 0 0 "[ . 1 . 2]" 1
772 1 52 THR H 1 52 THR HA 2.800 . 2.800 2.905 2.897 2.907 0.107 6 0 "[ . 1 . 2]" 1
773 1 52 THR H 1 52 THR HB 3.500 . 3.500 2.774 2.672 2.922 . 0 0 "[ . 1 . 2]" 1
774 1 52 THR H 1 52 THR MG 3.500 . 3.500 1.932 1.901 2.030 . 0 0 "[ . 1 . 2]" 1
775 1 52 THR H 1 58 VAL MG2 4.500 . 4.500 4.368 4.326 4.505 0.005 12 0 "[ . 1 . 2]" 1
776 1 52 THR HA 1 52 THR MG 3.500 . 3.500 3.196 3.192 3.203 . 0 0 "[ . 1 . 2]" 1
777 1 52 THR HB 1 53 LYS H 4.500 . 4.500 4.045 3.978 4.229 . 0 0 "[ . 1 . 2]" 1
778 1 52 THR MG 1 53 LYS H 2.800 . 2.800 2.066 1.949 2.478 . 0 0 "[ . 1 . 2]" 1
779 1 52 THR MG 1 54 TYR H 4.500 . 4.500 3.899 3.754 4.308 . 0 0 "[ . 1 . 2]" 1
780 1 52 THR MG 1 55 GLY H 5.500 . 5.500 5.016 4.897 5.252 . 0 0 "[ . 1 . 2]" 1
781 1 53 LYS H 1 53 LYS HA 2.800 . 2.800 2.936 2.934 2.940 0.140 10 0 "[ . 1 . 2]" 1
782 1 53 LYS H 1 53 LYS QB 3.500 . 3.500 2.571 2.270 2.644 . 0 0 "[ . 1 . 2]" 1
783 1 53 LYS H 1 53 LYS QD 4.500 . 4.500 3.402 3.152 4.447 . 0 0 "[ . 1 . 2]" 1
784 1 53 LYS H 1 53 LYS QG 4.500 . 4.500 2.473 2.290 3.815 . 0 0 "[ . 1 . 2]" 1
785 1 53 LYS H 1 54 TYR H 2.800 . 2.800 2.100 2.050 2.147 . 0 0 "[ . 1 . 2]" 1
786 1 53 LYS H 1 54 TYR HA 5.500 . 5.500 4.815 4.774 4.830 . 0 0 "[ . 1 . 2]" 1
787 1 53 LYS H 1 54 TYR QB 5.500 . 5.500 4.588 4.509 4.617 . 0 0 "[ . 1 . 2]" 1
788 1 53 LYS H 1 54 TYR QD 5.500 . 5.500 4.305 3.160 4.651 . 0 0 "[ . 1 . 2]" 1
789 1 53 LYS H 1 55 GLY H . . 4.500 3.621 3.494 3.676 . 0 0 "[ . 1 . 2]" 1
790 1 53 LYS HA 1 53 LYS QG 3.500 . 3.500 2.934 2.526 3.186 . 0 0 "[ . 1 . 2]" 1
791 1 53 LYS HA 1 54 TYR H 3.500 . 3.500 3.500 3.491 3.534 0.034 12 0 "[ . 1 . 2]" 1
792 1 53 LYS HA 1 55 GLY H 4.500 . 4.500 4.192 4.002 4.257 . 0 0 "[ . 1 . 2]" 1
793 1 53 LYS QB 1 53 LYS QD 2.800 . 2.800 2.362 2.028 2.818 0.018 10 0 "[ . 1 . 2]" 1
794 1 53 LYS QB 1 54 TYR H 5.500 . 5.500 2.751 2.714 2.795 . 0 0 "[ . 1 . 2]" 1
795 1 53 LYS QB 1 54 TYR QD 5.500 . 5.500 3.154 2.417 3.342 . 0 0 "[ . 1 . 2]" 1
796 1 53 LYS QD 1 54 TYR H . . 4.500 4.559 4.462 4.644 0.144 10 0 "[ . 1 . 2]" 1
797 1 53 LYS QE 1 53 LYS QG 3.500 . 3.500 2.129 1.973 2.333 . 0 0 "[ . 1 . 2]" 1
798 1 53 LYS QG 1 54 TYR H 5.500 . 5.500 3.874 3.088 4.083 . 0 0 "[ . 1 . 2]" 1
799 1 53 LYS QG 1 55 GLY H 5.500 . 5.500 5.505 4.898 5.565 0.065 18 0 "[ . 1 . 2]" 1
800 1 54 TYR H 1 54 TYR QB 3.500 . 3.500 2.773 2.681 2.810 . 0 0 "[ . 1 . 2]" 1
801 1 54 TYR H 1 54 TYR QD 3.500 . 3.500 3.145 2.157 3.417 . 0 0 "[ . 1 . 2]" 1
802 1 54 TYR H 1 54 TYR QE 5.500 . 5.500 4.683 4.213 4.837 . 0 0 "[ . 1 . 2]" 1
803 1 54 TYR H 1 55 GLY H 3.500 . 3.500 2.499 2.434 2.619 . 0 0 "[ . 1 . 2]" 1
804 1 54 TYR H 1 55 GLY QA 4.500 . 4.500 3.883 3.855 3.964 . 0 0 "[ . 1 . 2]" 1
805 1 54 TYR H 1 58 VAL MG2 5.500 . 5.500 3.284 3.218 3.389 . 0 0 "[ . 1 . 2]" 1
806 1 54 TYR HA 1 54 TYR QD 3.500 . 3.500 2.666 2.465 3.209 . 0 0 "[ . 1 . 2]" 1
807 1 54 TYR HA 1 55 GLY H 3.500 . 3.500 2.911 2.886 2.985 . 0 0 "[ . 1 . 2]" 1
808 1 54 TYR HA 1 56 ASP H 4.500 . 4.500 3.093 3.069 3.138 . 0 0 "[ . 1 . 2]" 1
809 1 54 TYR HA 1 57 LEU H 4.500 . 4.500 3.935 3.785 4.012 . 0 0 "[ . 1 . 2]" 1
810 1 54 TYR HA 1 57 LEU MD1 4.500 . 4.500 4.298 3.941 4.393 . 0 0 "[ . 1 . 2]" 1
811 1 54 TYR HA 1 58 VAL H 5.500 . 5.500 4.773 4.556 4.874 . 0 0 "[ . 1 . 2]" 1
812 1 54 TYR QB 1 55 GLY H 4.500 . 4.500 3.819 3.763 3.834 . 0 0 "[ . 1 . 2]" 1
813 1 54 TYR QB 1 56 ASP H 5.500 . 5.500 4.088 4.053 4.163 . 0 0 "[ . 1 . 2]" 1
814 1 54 TYR QB 1 57 LEU H 4.500 . 4.500 3.432 3.305 3.514 . 0 0 "[ . 1 . 2]" 1
815 1 54 TYR QB 1 57 LEU QB 4.500 . 4.500 4.049 3.975 4.172 . 0 0 "[ . 1 . 2]" 1
816 1 54 TYR QB 1 57 LEU MD1 3.500 . 3.500 2.256 1.947 2.371 . 0 0 "[ . 1 . 2]" 1
817 1 54 TYR QB 1 57 LEU MD2 3.500 . 3.500 2.215 2.070 2.796 . 0 0 "[ . 1 . 2]" 1
818 1 54 TYR QB 1 58 VAL HB 4.500 . 4.500 4.504 4.204 4.573 0.073 13 0 "[ . 1 . 2]" 1
819 1 54 TYR QB 1 58 VAL MG2 . . 2.800 2.367 2.127 2.446 . 0 0 "[ . 1 . 2]" 1
820 1 54 TYR QD 1 55 GLY H 5.500 . 5.500 4.825 4.470 4.895 . 0 0 "[ . 1 . 2]" 1
821 1 54 TYR QD 1 57 LEU MD1 4.500 . 4.500 3.529 2.499 3.720 . 0 0 "[ . 1 . 2]" 1
822 1 55 GLY H 1 55 GLY QA 2.800 . 2.800 2.191 2.189 2.192 . 0 0 "[ . 1 . 2]" 1
823 1 55 GLY H 1 56 ASP H 3.500 . 3.500 2.793 2.767 2.850 . 0 0 "[ . 1 . 2]" 1
824 1 55 GLY H 1 56 ASP QB 4.500 . 4.500 4.467 4.445 4.535 0.035 14 0 "[ . 1 . 2]" 1
825 1 55 GLY H 1 57 LEU MD2 5.500 . 5.500 5.101 5.018 5.194 . 0 0 "[ . 1 . 2]" 1
826 1 55 GLY H 1 58 VAL MG2 . . 3.500 3.473 3.381 3.685 0.185 12 0 "[ . 1 . 2]" 1
827 1 55 GLY QA 1 56 ASP H 3.500 . 3.500 2.854 2.829 2.865 . 0 0 "[ . 1 . 2]" 1
828 1 55 GLY QA 1 57 LEU H 5.500 . 5.500 4.269 4.218 4.330 . 0 0 "[ . 1 . 2]" 1
829 1 55 GLY QA 1 58 VAL H 4.500 . 4.500 3.282 3.255 3.364 . 0 0 "[ . 1 . 2]" 1
830 1 55 GLY QA 1 58 VAL HB 3.500 . 3.500 1.931 1.897 1.962 . 0 0 "[ . 1 . 2]" 1
831 1 55 GLY QA 1 58 VAL MG2 . . 3.500 2.425 2.327 2.876 . 0 0 "[ . 1 . 2]" 1
832 1 55 GLY QA 1 59 ASP H 5.500 . 5.500 3.496 3.382 3.636 . 0 0 "[ . 1 . 2]" 1
833 1 56 ASP H 1 56 ASP QB 2.800 . 2.800 2.074 2.044 2.202 . 0 0 "[ . 1 . 2]" 1
834 1 56 ASP H 1 57 LEU H 3.500 . 3.500 2.823 2.776 2.898 . 0 0 "[ . 1 . 2]" 1
835 1 56 ASP H 1 57 LEU QB 5.500 . 5.500 5.381 5.332 5.449 . 0 0 "[ . 1 . 2]" 1
836 1 56 ASP H 1 57 LEU MD1 5.500 . 5.500 5.339 5.281 5.420 . 0 0 "[ . 1 . 2]" 1
837 1 56 ASP H 1 57 LEU MD2 5.500 . 5.500 3.635 3.448 3.734 . 0 0 "[ . 1 . 2]" 1
838 1 56 ASP H 1 58 VAL H 4.500 . 4.500 3.812 3.757 3.898 . 0 0 "[ . 1 . 2]" 1
839 1 56 ASP H 1 58 VAL MG2 5.500 . 5.500 4.210 4.168 4.404 . 0 0 "[ . 1 . 2]" 1
840 1 56 ASP HA 1 56 ASP QB 2.800 . 2.800 2.503 2.263 2.540 . 0 0 "[ . 1 . 2]" 1
841 1 56 ASP HA 1 57 LEU H 4.500 . 4.500 3.565 3.564 3.568 . 0 0 "[ . 1 . 2]" 1
842 1 56 ASP QB 1 57 LEU H 2.800 . 2.800 2.405 2.299 2.464 . 0 0 "[ . 1 . 2]" 1
843 1 56 ASP QB 1 57 LEU HA 4.500 . 4.500 3.890 3.804 4.440 . 0 0 "[ . 1 . 2]" 1
844 1 56 ASP QB 1 57 LEU MD2 3.500 . 3.500 2.247 2.099 2.366 . 0 0 "[ . 1 . 2]" 1
845 1 57 LEU H 1 57 LEU HA . . 2.800 2.890 2.888 2.894 0.094 13 0 "[ . 1 . 2]" 1
846 1 57 LEU H 1 57 LEU QB . . 2.800 2.901 2.890 2.921 0.121 14 0 "[ . 1 . 2]" 1
847 1 57 LEU H 1 57 LEU MD1 3.500 . 3.500 3.562 3.539 3.572 0.072 15 0 "[ . 1 . 2]" 1
848 1 57 LEU H 1 57 LEU MD2 3.500 . 3.500 1.934 1.906 2.087 . 0 0 "[ . 1 . 2]" 1
849 1 57 LEU H 1 57 LEU HG 3.500 . 3.500 1.911 1.882 1.924 . 0 0 "[ . 1 . 2]" 1
850 1 57 LEU H 1 58 VAL H 2.800 . 2.800 2.355 2.348 2.364 . 0 0 "[ . 1 . 2]" 1
851 1 57 LEU H 1 58 VAL HA 5.500 . 5.500 4.972 4.961 4.993 . 0 0 "[ . 1 . 2]" 1
852 1 57 LEU H 1 58 VAL HB 4.500 . 4.500 4.586 4.513 4.623 0.123 10 0 "[ . 1 . 2]" 1
853 1 57 LEU H 1 58 VAL MG2 4.500 . 4.500 3.843 3.769 3.919 . 0 0 "[ . 1 . 2]" 1
854 1 57 LEU H 1 59 ASP H 4.500 . 4.500 4.197 4.073 4.267 . 0 0 "[ . 1 . 2]" 1
855 1 57 LEU HA 1 57 LEU QB 2.800 . 2.800 2.143 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
856 1 57 LEU HA 1 57 LEU MD1 4.500 . 4.500 4.107 4.101 4.125 . 0 0 "[ . 1 . 2]" 1
857 1 57 LEU HA 1 57 LEU MD2 . . 3.500 3.358 3.225 3.445 . 0 0 "[ . 1 . 2]" 1
858 1 57 LEU HA 1 58 VAL H 3.500 . 3.500 3.499 3.490 3.513 0.013 20 0 "[ . 1 . 2]" 1
859 1 57 LEU HA 1 59 ASP H 4.500 . 4.500 4.153 4.053 4.289 . 0 0 "[ . 1 . 2]" 1
860 1 57 LEU HA 1 60 ASP H 3.500 . 3.500 3.439 3.355 3.523 0.023 12 0 "[ . 1 . 2]" 1
861 1 57 LEU HA 1 60 ASP QB 3.500 . 3.500 2.296 2.086 2.580 . 0 0 "[ . 1 . 2]" 1
862 1 57 LEU QB 1 57 LEU HG 2.800 . 2.800 2.486 2.474 2.492 . 0 0 "[ . 1 . 2]" 1
863 1 57 LEU QB 1 58 VAL H 3.500 . 3.500 3.323 3.270 3.360 . 0 0 "[ . 1 . 2]" 1
864 1 57 LEU QB 1 58 VAL HA 4.500 . 4.500 4.035 3.999 4.061 . 0 0 "[ . 1 . 2]" 1
865 1 57 LEU QB 1 59 ASP H 5.500 . 5.500 4.984 4.880 5.060 . 0 0 "[ . 1 . 2]" 1
866 1 57 LEU QB 1 60 ASP H 4.500 . 4.500 4.371 4.326 4.416 . 0 0 "[ . 1 . 2]" 1
867 1 57 LEU QB 1 61 PHE H . . 4.500 4.616 4.590 4.767 0.267 13 0 "[ . 1 . 2]" 1
868 1 57 LEU MD1 1 60 ASP QB 5.500 . 5.500 5.210 5.103 5.391 . 0 0 "[ . 1 . 2]" 1
869 1 57 LEU MD2 1 58 VAL H 4.500 . 4.500 3.721 3.691 3.753 . 0 0 "[ . 1 . 2]" 1
870 1 57 LEU MD2 1 60 ASP QB 5.500 . 5.500 4.988 4.820 5.192 . 0 0 "[ . 1 . 2]" 1
871 1 58 VAL H 1 58 VAL HA 2.800 . 2.800 2.770 2.756 2.776 . 0 0 "[ . 1 . 2]" 1
872 1 58 VAL H 1 58 VAL HB 2.800 . 2.800 2.549 2.491 2.590 . 0 0 "[ . 1 . 2]" 1
873 1 58 VAL H 1 58 VAL MG1 4.500 . 4.500 3.763 3.758 3.766 . 0 0 "[ . 1 . 2]" 1
874 1 58 VAL H 1 58 VAL MG2 2.800 . 2.800 2.251 2.176 2.334 . 0 0 "[ . 1 . 2]" 1
875 1 58 VAL H 1 59 ASP H . . 2.800 2.793 2.756 2.867 0.067 13 0 "[ . 1 . 2]" 1
876 1 58 VAL H 1 59 ASP HA 5.500 . 5.500 5.388 5.361 5.436 . 0 0 "[ . 1 . 2]" 1
877 1 58 VAL HA 1 58 VAL MG1 3.500 . 3.500 2.343 2.311 2.409 . 0 0 "[ . 1 . 2]" 1
878 1 58 VAL HA 1 58 VAL MG2 . . 2.800 2.297 2.204 2.339 . 0 0 "[ . 1 . 2]" 1
879 1 58 VAL HA 1 59 ASP H 4.500 . 4.500 3.536 3.519 3.551 . 0 0 "[ . 1 . 2]" 1
880 1 58 VAL HA 1 59 ASP QB 5.500 . 5.500 5.404 5.191 5.502 0.002 19 0 "[ . 1 . 2]" 1
881 1 58 VAL HA 1 60 ASP H 4.500 . 4.500 3.589 3.537 3.636 . 0 0 "[ . 1 . 2]" 1
882 1 58 VAL HA 1 60 ASP QB 5.500 . 5.500 5.024 4.972 5.125 . 0 0 "[ . 1 . 2]" 1
883 1 58 VAL HA 1 61 PHE H 3.500 . 3.500 3.454 3.330 3.612 0.112 13 0 "[ . 1 . 2]" 1
884 1 58 VAL HA 1 61 PHE QD 5.500 . 5.500 4.396 4.185 4.523 . 0 0 "[ . 1 . 2]" 1
885 1 58 VAL HA 1 62 GLU QG 5.500 . 5.500 4.295 4.029 4.528 . 0 0 "[ . 1 . 2]" 1
886 1 58 VAL HB 1 59 ASP H 3.500 . 3.500 2.624 2.497 2.748 . 0 0 "[ . 1 . 2]" 1
887 1 58 VAL MG1 1 59 ASP H 3.500 . 3.500 3.426 3.349 3.523 0.023 20 0 "[ . 1 . 2]" 1
888 1 58 VAL MG1 1 59 ASP HA 4.500 . 4.500 3.511 3.381 3.560 . 0 0 "[ . 1 . 2]" 1
889 1 58 VAL MG1 1 61 PHE H 4.500 . 4.500 4.469 4.423 4.503 0.003 7 0 "[ . 1 . 2]" 1
890 1 58 VAL MG1 1 61 PHE QD 4.500 . 4.500 4.511 4.449 4.537 0.037 13 0 "[ . 1 . 2]" 1
891 1 58 VAL MG1 1 62 GLU H . . 4.500 3.713 3.621 3.853 . 0 0 "[ . 1 . 2]" 1
892 1 58 VAL MG1 1 62 GLU QG . . 3.500 2.906 2.459 3.357 . 0 0 "[ . 1 . 2]" 1
893 1 58 VAL MG1 1 63 LYS H 5.500 . 5.500 4.846 4.721 5.076 . 0 0 "[ . 1 . 2]" 1
894 1 58 VAL MG2 1 59 ASP H 4.500 . 4.500 3.879 3.821 3.962 . 0 0 "[ . 1 . 2]" 1
895 1 58 VAL MG2 1 62 GLU H 5.500 . 5.500 5.270 5.117 5.443 . 0 0 "[ . 1 . 2]" 1
896 1 59 ASP H 1 59 ASP QB 3.500 . 3.500 2.261 2.093 2.407 . 0 0 "[ . 1 . 2]" 1
897 1 59 ASP H 1 60 ASP H 2.800 . 2.800 2.594 2.564 2.684 . 0 0 "[ . 1 . 2]" 1
898 1 59 ASP H 1 61 PHE H 4.500 . 4.500 4.160 4.095 4.232 . 0 0 "[ . 1 . 2]" 1
899 1 59 ASP H 1 63 LYS QG 5.500 . 5.500 4.533 4.423 5.448 . 0 0 "[ . 1 . 2]" 1
900 1 59 ASP HA 1 59 ASP QB 2.800 . 2.800 2.447 2.378 2.539 . 0 0 "[ . 1 . 2]" 1
901 1 59 ASP HA 1 62 GLU H 4.500 . 4.500 4.332 3.998 4.519 0.019 9 0 "[ . 1 . 2]" 1
902 1 59 ASP HA 1 62 GLU QG . . 2.800 2.756 2.484 2.828 0.028 17 0 "[ . 1 . 2]" 1
903 1 59 ASP HA 1 63 LYS H 3.500 . 3.500 3.433 3.380 3.632 0.132 13 0 "[ . 1 . 2]" 1
904 1 59 ASP HA 1 64 ASN QD 5.500 . 5.500 5.537 5.519 5.597 0.097 13 0 "[ . 1 . 2]" 1
905 1 59 ASP QB 1 60 ASP H 3.500 . 3.500 3.472 3.438 3.572 0.072 13 0 "[ . 1 . 2]" 1
906 1 60 ASP H 1 60 ASP HA 2.800 . 2.800 2.946 2.943 2.949 0.149 2 0 "[ . 1 . 2]" 1
907 1 60 ASP H 1 60 ASP QB 2.800 . 2.800 2.406 2.292 2.559 . 0 0 "[ . 1 . 2]" 1
908 1 60 ASP H 1 62 GLU H . . 4.500 3.916 3.443 4.157 . 0 0 "[ . 1 . 2]" 1
909 1 60 ASP H 1 63 LYS QB 5.500 . 5.500 4.382 4.240 5.332 . 0 0 "[ . 1 . 2]" 1
910 1 60 ASP H 1 63 LYS QG 4.500 . 4.500 4.120 3.972 4.198 . 0 0 "[ . 1 . 2]" 1
911 1 60 ASP HA 1 60 ASP QB 2.800 . 2.800 2.482 2.369 2.540 . 0 0 "[ . 1 . 2]" 1
912 1 60 ASP QB 1 61 PHE H 3.500 . 3.500 3.110 3.045 3.336 . 0 0 "[ . 1 . 2]" 1
913 1 61 PHE H 1 61 PHE HA 2.800 . 2.800 2.931 2.918 2.947 0.147 13 0 "[ . 1 . 2]" 1
914 1 61 PHE H 1 61 PHE QB 2.800 . 2.800 2.333 2.312 2.439 . 0 0 "[ . 1 . 2]" 1
915 1 61 PHE H 1 61 PHE QD 4.500 . 4.500 4.145 4.019 4.189 . 0 0 "[ . 1 . 2]" 1
916 1 61 PHE H 1 62 GLU H 3.500 . 3.500 2.426 1.990 2.567 . 0 0 "[ . 1 . 2]" 1
917 1 61 PHE H 1 62 GLU HA 5.500 . 5.500 5.004 4.679 5.072 . 0 0 "[ . 1 . 2]" 1
918 1 61 PHE H 1 62 GLU QB 4.500 . 4.500 4.507 4.116 4.587 0.087 20 0 "[ . 1 . 2]" 1
919 1 61 PHE H 1 63 LYS QG 5.500 . 5.500 4.351 3.568 4.508 . 0 0 "[ . 1 . 2]" 1
920 1 61 PHE HA 1 61 PHE QB 2.800 . 2.800 2.318 2.284 2.337 . 0 0 "[ . 1 . 2]" 1
921 1 61 PHE HA 1 61 PHE QD 3.500 . 3.500 2.852 2.716 3.075 . 0 0 "[ . 1 . 2]" 1
922 1 61 PHE HA 1 62 GLU H 4.500 . 4.500 3.566 3.539 3.571 . 0 0 "[ . 1 . 2]" 1
923 1 61 PHE HA 1 64 ASN H 4.500 . 4.500 3.751 3.479 3.915 . 0 0 "[ . 1 . 2]" 1
924 1 61 PHE HA 1 64 ASN QB 3.500 . 3.500 2.895 2.571 3.006 . 0 0 "[ . 1 . 2]" 1
925 1 61 PHE HA 1 64 ASN QD . . 4.500 3.996 3.364 4.361 . 0 0 "[ . 1 . 2]" 1
926 1 61 PHE HA 1 65 GLN H 4.500 . 4.500 4.438 4.320 4.554 0.054 13 0 "[ . 1 . 2]" 1
927 1 61 PHE QB 1 62 GLU H 2.800 . 2.800 2.254 2.100 2.631 . 0 0 "[ . 1 . 2]" 1
928 1 61 PHE QB 1 63 LYS H 4.500 . 4.500 4.426 4.327 4.761 0.261 13 0 "[ . 1 . 2]" 1
929 1 61 PHE QD 1 62 GLU H 3.500 . 3.500 2.714 2.435 3.166 . 0 0 "[ . 1 . 2]" 1
930 1 61 PHE QD 1 62 GLU HA 3.500 . 3.500 3.117 2.889 3.444 . 0 0 "[ . 1 . 2]" 1
931 1 61 PHE QD 1 62 GLU QG 4.500 . 4.500 4.470 4.275 4.553 0.053 13 0 "[ . 1 . 2]" 1
932 1 61 PHE QD 1 63 LYS H 5.500 . 5.500 5.006 4.832 5.286 . 0 0 "[ . 1 . 2]" 1
933 1 61 PHE QD 1 65 GLN H 5.500 . 5.500 5.082 4.929 5.293 . 0 0 "[ . 1 . 2]" 1
934 1 62 GLU H 1 62 GLU QB 2.800 . 2.800 2.339 2.266 2.462 . 0 0 "[ . 1 . 2]" 1
935 1 62 GLU H 1 62 GLU QG 3.500 . 3.500 2.472 2.246 2.627 . 0 0 "[ . 1 . 2]" 1
936 1 62 GLU H 1 63 LYS H 3.500 . 3.500 2.618 2.432 2.754 . 0 0 "[ . 1 . 2]" 1
937 1 62 GLU H 1 63 LYS QD 5.500 . 5.500 5.475 5.133 5.665 0.165 13 0 "[ . 1 . 2]" 1
938 1 62 GLU H 1 64 ASN H 5.500 . 5.500 3.938 3.791 4.026 . 0 0 "[ . 1 . 2]" 1
939 1 62 GLU H 1 64 ASN QD 5.500 . 5.500 5.057 4.573 5.181 . 0 0 "[ . 1 . 2]" 1
940 1 62 GLU H 1 65 GLN H 5.500 . 5.500 4.815 4.640 5.072 . 0 0 "[ . 1 . 2]" 1
941 1 62 GLU HA 1 62 GLU QB 2.800 . 2.800 2.173 2.170 2.177 . 0 0 "[ . 1 . 2]" 1
942 1 62 GLU HA 1 62 GLU QG 3.500 . 3.500 3.369 3.310 3.453 . 0 0 "[ . 1 . 2]" 1
943 1 62 GLU HA 1 63 LYS H 4.500 . 4.500 3.512 3.502 3.529 . 0 0 "[ . 1 . 2]" 1
944 1 62 GLU HA 1 64 ASN H 4.500 . 4.500 3.626 3.580 3.860 . 0 0 "[ . 1 . 2]" 1
945 1 62 GLU HA 1 65 GLN H 4.500 . 4.500 3.228 3.094 3.613 . 0 0 "[ . 1 . 2]" 1
946 1 62 GLU HA 1 65 GLN QG 2.800 . 2.800 2.228 1.924 2.874 0.074 5 0 "[ . 1 . 2]" 1
947 1 62 GLU QG 1 63 LYS H 2.800 . 2.800 1.948 1.903 2.001 . 0 0 "[ . 1 . 2]" 1
948 1 63 LYS H 1 63 LYS HA 2.800 . 2.800 2.841 2.814 2.861 0.061 13 0 "[ . 1 . 2]" 1
949 1 63 LYS H 1 63 LYS QB 2.800 . 2.800 2.414 2.357 2.513 . 0 0 "[ . 1 . 2]" 1
950 1 63 LYS H 1 63 LYS QD . . 4.500 3.521 3.273 3.868 . 0 0 "[ . 1 . 2]" 1
951 1 63 LYS H 1 63 LYS QG 3.500 . 3.500 2.272 2.142 2.398 . 0 0 "[ . 1 . 2]" 1
952 1 63 LYS H 1 64 ASN H 3.500 . 3.500 2.573 2.483 2.627 . 0 0 "[ . 1 . 2]" 1
953 1 63 LYS H 1 64 ASN HA 5.500 . 5.500 5.157 5.052 5.225 . 0 0 "[ . 1 . 2]" 1
954 1 63 LYS H 1 64 ASN QD 3.500 . 3.500 3.509 3.323 3.542 0.042 20 0 "[ . 1 . 2]" 1
955 1 63 LYS H 1 66 LYS QG 4.500 . 4.500 4.561 4.509 4.668 0.168 9 0 "[ . 1 . 2]" 1
956 1 63 LYS HA 1 63 LYS QB 2.800 . 2.800 2.372 2.181 2.403 . 0 0 "[ . 1 . 2]" 1
957 1 63 LYS HA 1 63 LYS QG . . 3.500 2.932 2.857 3.419 . 0 0 "[ . 1 . 2]" 1
958 1 63 LYS HA 1 64 ASN H 3.500 . 3.500 3.359 3.328 3.395 . 0 0 "[ . 1 . 2]" 1
959 1 63 LYS HA 1 66 LYS QB 2.800 . 2.800 2.815 2.158 2.898 0.098 17 0 "[ . 1 . 2]" 1
960 1 63 LYS HA 1 66 LYS QG 3.500 . 3.500 2.662 2.162 3.560 0.060 3 0 "[ . 1 . 2]" 1
961 1 63 LYS QB 1 64 ASN H 3.500 . 3.500 3.218 3.100 3.715 0.215 13 0 "[ . 1 . 2]" 1
962 1 63 LYS QB 1 64 ASN QD 3.500 . 3.500 2.514 2.378 3.604 0.104 13 0 "[ . 1 . 2]" 1
963 1 63 LYS QD 1 64 ASN H 5.500 . 5.500 4.789 3.235 4.998 . 0 0 "[ . 1 . 2]" 1
964 1 63 LYS QD 1 64 ASN QD 5.500 . 5.500 4.822 1.856 5.221 . 0 0 "[ . 1 . 2]" 1
965 1 63 LYS QD 1 66 LYS H 5.500 . 5.500 5.310 5.079 5.502 0.002 16 0 "[ . 1 . 2]" 1
966 1 63 LYS QG 1 64 ASN QD 5.500 . 5.500 4.028 1.857 4.181 . 0 0 "[ . 1 . 2]" 1
967 1 64 ASN H 1 64 ASN QB 2.800 . 2.800 2.324 2.278 2.342 . 0 0 "[ . 1 . 2]" 1
968 1 64 ASN H 1 64 ASN QD 5.500 . 5.500 2.313 2.003 2.424 . 0 0 "[ . 1 . 2]" 1
969 1 64 ASN H 1 66 LYS H 3.500 . 3.500 3.375 3.247 3.548 0.048 13 0 "[ . 1 . 2]" 1
970 1 64 ASN H 1 66 LYS QB 4.500 . 4.500 4.536 4.450 4.610 0.110 17 0 "[ . 1 . 2]" 1
971 1 64 ASN HA 1 64 ASN QB 2.800 . 2.800 2.442 2.434 2.449 . 0 0 "[ . 1 . 2]" 1
972 1 64 ASN HA 1 65 GLN H 3.500 . 3.500 3.523 3.493 3.542 0.042 16 0 "[ . 1 . 2]" 1
973 1 64 ASN HA 1 66 LYS H 5.500 . 5.500 4.032 3.826 4.464 . 0 0 "[ . 1 . 2]" 1
974 1 64 ASN QB 1 64 ASN QD . . 2.800 2.573 2.553 2.592 . 0 0 "[ . 1 . 2]" 1
975 1 64 ASN QB 1 65 GLN H 2.800 . 2.800 2.669 2.575 2.813 0.013 20 0 "[ . 1 . 2]" 1
976 1 64 ASN QB 1 66 LYS H 5.500 . 5.500 4.426 4.290 4.695 . 0 0 "[ . 1 . 2]" 1
977 1 65 GLN H 1 65 GLN HA 2.800 . 2.800 2.900 2.890 2.944 0.144 13 0 "[ . 1 . 2]" 1
978 1 65 GLN H 1 65 GLN QB 2.800 . 2.800 2.594 2.445 2.830 0.030 13 0 "[ . 1 . 2]" 1
979 1 65 GLN H 1 65 GLN QG 2.800 . 2.800 2.207 1.963 2.357 . 0 0 "[ . 1 . 2]" 1
980 1 65 GLN H 1 66 LYS H 3.500 . 3.500 2.373 2.264 2.447 . 0 0 "[ . 1 . 2]" 1
981 1 65 GLN H 1 66 LYS QB 4.500 . 4.500 4.392 4.166 4.508 0.008 19 0 "[ . 1 . 2]" 1
982 1 65 GLN H 1 66 LYS QG 5.500 . 5.500 3.904 3.545 4.339 . 0 0 "[ . 1 . 2]" 1
983 1 65 GLN HA 1 65 GLN QB 2.800 . 2.800 2.194 2.172 2.299 . 0 0 "[ . 1 . 2]" 1
984 1 65 GLN HA 1 65 GLN QG 3.500 . 3.500 3.298 2.537 3.451 . 0 0 "[ . 1 . 2]" 1
985 1 65 GLN HA 1 66 LYS H 3.500 . 3.500 3.351 3.119 3.495 . 0 0 "[ . 1 . 2]" 1
986 1 65 GLN HA 1 67 LYS H 3.500 . 3.500 3.494 3.304 3.574 0.074 20 0 "[ . 1 . 2]" 1
987 1 65 GLN QG 1 66 LYS H 5.500 . 5.500 2.871 1.954 3.984 . 0 0 "[ . 1 . 2]" 1
988 1 65 GLN QG 1 67 LYS H 5.500 . 5.500 4.847 4.284 5.621 0.121 5 0 "[ . 1 . 2]" 1
989 1 66 LYS H 1 66 LYS HA 2.800 . 2.800 2.786 2.754 2.807 0.007 1 0 "[ . 1 . 2]" 1
990 1 66 LYS H 1 66 LYS QB 3.500 . 3.500 2.477 2.236 2.614 . 0 0 "[ . 1 . 2]" 1
991 1 66 LYS H 1 66 LYS QD 3.500 . 3.500 3.586 3.526 3.702 0.202 2 0 "[ . 1 . 2]" 1
992 1 66 LYS H 1 66 LYS QG 3.500 . 3.500 2.115 1.883 2.676 . 0 0 "[ . 1 . 2]" 1
993 1 66 LYS HA 1 66 LYS QB 2.800 . 2.800 2.261 2.175 2.472 . 0 0 "[ . 1 . 2]" 1
994 1 66 LYS HA 1 66 LYS QG 3.500 . 3.500 3.197 2.322 3.423 . 0 0 "[ . 1 . 2]" 1
995 1 66 LYS HA 1 67 LYS H 3.500 . 3.500 3.454 3.400 3.495 . 0 0 "[ . 1 . 2]" 1
996 1 66 LYS QB 1 67 LYS H 3.500 . 3.500 3.400 3.005 3.585 0.085 5 0 "[ . 1 . 2]" 1
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