NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560088 |
2m4h   |
19003 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4h
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 1087
_Distance_constraint_stats_list.Viol_count 3773
_Distance_constraint_stats_list.Viol_total 8324.202
_Distance_constraint_stats_list.Viol_max 0.880
_Distance_constraint_stats_list.Viol_rms 0.0602
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0191
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 14.949 0.839 7 18 "[******+ *-*** ******]"
1 2 THR 26.952 0.839 7 18 "[******+ *-*** ******]"
1 3 TYR 26.490 0.553 15 1 "[ . 1 + 2]"
1 4 ARG 22.903 0.553 15 1 "[ . 1 + 2]"
1 5 GLY 5.596 0.405 4 0 "[ . 1 . 2]"
1 6 ARG 26.558 0.608 8 4 "[ -. + 1 * * 2]"
1 7 GLY 3.381 0.405 4 0 "[ . 1 . 2]"
1 8 VAL 35.740 0.420 20 0 "[ . 1 . 2]"
1 9 ALA 6.501 0.355 7 0 "[ . 1 . 2]"
1 10 LEU 16.671 0.557 14 1 "[ . 1 +. 2]"
1 11 THR 14.535 0.361 17 0 "[ . 1 . 2]"
1 12 ASP 6.897 0.221 3 0 "[ . 1 . 2]"
1 13 ASP 4.377 0.312 5 0 "[ . 1 . 2]"
1 14 GLU 11.987 0.880 11 5 "[ * . * *+ -. 2]"
1 15 TYR 16.191 0.316 8 0 "[ . 1 . 2]"
1 16 ASP 7.468 0.441 2 0 "[ . 1 . 2]"
1 17 GLU 2.632 0.441 2 0 "[ . 1 . 2]"
1 18 TRP 11.655 0.458 2 0 "[ . 1 . 2]"
1 19 ARG 9.266 0.538 17 2 "[ . 1 . + -]"
1 20 GLU 0.986 0.056 12 0 "[ . 1 . 2]"
1 21 HIS 6.494 0.209 12 0 "[ . 1 . 2]"
1 22 ASN 8.579 0.538 17 3 "[ *. 1 . + -]"
1 23 ALA 5.299 0.144 13 0 "[ . 1 . 2]"
1 24 SER 17.413 0.269 2 0 "[ . 1 . 2]"
1 25 ARG 9.790 0.500 12 1 "[ . 1 + . 2]"
1 26 LYS 3.381 0.210 1 0 "[ . 1 . 2]"
1 27 LEU 19.733 0.506 4 1 "[ +. 1 . 2]"
1 28 ASP 7.975 0.250 10 0 "[ . 1 . 2]"
1 29 LEU 17.859 0.340 7 0 "[ . 1 . 2]"
1 30 SER 5.214 0.340 7 0 "[ . 1 . 2]"
1 31 VAL 15.604 0.307 5 0 "[ . 1 . 2]"
1 32 GLU 9.266 0.242 7 0 "[ . 1 . 2]"
1 33 ASP 6.400 0.258 11 0 "[ . 1 . 2]"
1 34 PHE 14.509 0.880 11 4 "[ * . * *+ . 2]"
1 35 LEU 27.169 0.315 8 0 "[ . 1 . 2]"
1 36 MET 5.287 0.276 3 0 "[ . 1 . 2]"
1 37 LEU 14.263 0.313 12 0 "[ . 1 . 2]"
1 38 ARG 9.272 0.246 4 0 "[ . 1 . 2]"
1 39 HIS 20.854 0.553 15 1 "[ . 1 + 2]"
1 40 ARG 16.610 0.240 6 0 "[ . 1 . 2]"
1 41 ALA 4.983 0.466 6 0 "[ . 1 . 2]"
1 42 ALA 16.770 0.634 14 4 "[ - . **1 +. 2]"
1 43 LEU 21.361 0.634 14 4 "[ - . **1 +. 2]"
1 44 GLY 2.880 0.367 2 0 "[ . 1 . 2]"
1 45 ALA 15.906 0.634 14 4 "[ - . **1 +. 2]"
1 46 ASP 6.733 0.214 7 0 "[ . 1 . 2]"
1 47 ASP 3.112 0.200 13 0 "[ . 1 . 2]"
1 48 ASN 11.096 0.351 17 0 "[ . 1 . 2]"
1 49 ASP 7.289 0.524 12 2 "[ . - 1 + . 2]"
1 50 ALA 15.262 0.524 12 2 "[ . - 1 + . 2]"
1 51 VAL 19.486 0.351 17 0 "[ . 1 . 2]"
1 52 LYS 25.093 0.553 15 1 "[ . 1 + 2]"
1 53 PHE 16.843 0.553 15 1 "[ . 1 + 2]"
1 54 ARG 20.101 0.839 20 2 "[ .- 1 . +]"
1 55 SER 8.518 0.839 20 1 "[ . 1 . +]"
1 56 TRP 19.873 0.500 12 1 "[ . 1 + . 2]"
1 57 TRP 15.004 0.243 1 0 "[ . 1 . 2]"
1 58 ASN 12.146 0.694 6 1 "[ .+ 1 . 2]"
1 59 SER 13.333 0.336 1 0 "[ . 1 . 2]"
1 60 ARG 13.205 0.336 1 0 "[ . 1 . 2]"
1 61 THR 15.908 0.239 20 0 "[ . 1 . 2]"
1 62 LYS 19.261 0.239 20 0 "[ . 1 . 2]"
1 63 MET 6.335 0.198 5 0 "[ . 1 . 2]"
1 64 ALA 12.601 0.403 2 0 "[ . 1 . 2]"
1 65 ASN 11.450 0.367 2 0 "[ . 1 . 2]"
1 66 ASP 6.220 0.421 16 0 "[ . 1 . 2]"
1 67 TYR 8.613 0.403 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY H1 1 2 THR H 2.790 . 3.763 4.402 3.931 4.602 0.839 7 18 "[******+ *-*** ******]" 1
2 1 1 GLY QA 1 2 THR H 2.244 . 2.873 2.230 2.122 2.305 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 43 LEU HG 2.679 . 3.576 3.080 2.711 3.726 0.150 13 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 43 LEU MD2 2.048 . 2.572 2.238 1.942 2.414 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 43 LEU MD1 2.276 . 2.924 3.003 2.723 3.136 0.212 2 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 2 THR HA 2.672 . 3.565 2.910 2.827 2.935 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 2 THR HB 2.513 . 3.302 3.175 2.732 3.357 0.055 13 0 "[ . 1 . 2]" 1
8 1 2 THR H 1 3 TYR H 2.815 . 3.806 3.945 3.408 4.093 0.287 13 0 "[ . 1 . 2]" 1
9 1 2 THR HA 1 2 THR MG 1.909 . 2.364 2.132 2.062 2.225 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR HA 1 3 TYR QD 3.322 . 4.702 3.611 3.343 3.847 . 0 0 "[ . 1 . 2]" 1
11 1 2 THR HA 1 8 VAL QG 3.038 . 4.192 4.225 3.971 4.382 0.190 11 0 "[ . 1 . 2]" 1
12 1 2 THR HB 1 2 THR MG 1.783 . 2.180 2.120 2.100 2.140 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 3 TYR QB 3.456 . 4.949 4.381 3.513 5.009 0.060 17 0 "[ . 1 . 2]" 1
14 1 2 THR HB 1 3 TYR QB 2.852 . 3.869 3.661 3.222 3.912 0.043 4 0 "[ . 1 . 2]" 1
15 1 2 THR HB 1 3 TYR QD 3.102 . 4.305 3.738 2.889 4.175 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR HB 1 3 TYR QE 3.576 . 5.174 5.255 4.477 5.401 0.227 12 0 "[ . 1 . 2]" 1
17 1 2 THR HB 1 8 VAL QG 3.424 . 4.889 2.815 1.922 3.213 0.037 15 0 "[ . 1 . 2]" 1
18 1 2 THR HB 1 10 LEU QB 3.489 . 5.011 4.724 3.932 4.905 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR HB 1 10 LEU QD 3.006 . 4.136 3.013 1.925 3.519 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR HB 1 35 LEU MD2 2.891 . 3.935 3.919 3.759 3.993 0.058 6 0 "[ . 1 . 2]" 1
21 1 2 THR MG 1 3 TYR HA 3.420 . 4.882 4.655 4.277 5.069 0.187 17 0 "[ . 1 . 2]" 1
22 1 2 THR MG 1 3 TYR QB 3.034 . 4.185 3.818 3.463 4.192 0.007 13 0 "[ . 1 . 2]" 1
23 1 2 THR MG 1 3 TYR QD 2.908 . 3.965 2.511 2.169 2.891 . 0 0 "[ . 1 . 2]" 1
24 1 2 THR MG 1 3 TYR QE 3.075 . 4.257 3.086 2.513 3.490 . 0 0 "[ . 1 . 2]" 1
25 1 2 THR MG 1 6 ARG QD 3.067 . 4.243 4.395 4.081 4.530 0.287 13 0 "[ . 1 . 2]" 1
26 1 2 THR MG 1 10 LEU QB 2.732 . 3.665 3.504 3.364 3.562 . 0 0 "[ . 1 . 2]" 1
27 1 2 THR MG 1 10 LEU QB 2.854 . 3.872 3.389 3.242 3.478 . 0 0 "[ . 1 . 2]" 1
28 1 2 THR MG 1 11 THR HA 2.856 . 3.876 3.936 3.494 4.128 0.252 11 0 "[ . 1 . 2]" 1
29 1 2 THR MG 1 39 HIS HE2 3.035 . 4.187 3.935 3.435 4.395 0.208 12 0 "[ . 1 . 2]" 1
30 1 3 TYR HA 1 3 TYR QB 2.164 . 2.749 2.231 2.200 2.277 . 0 0 "[ . 1 . 2]" 1
31 1 3 TYR HA 1 3 TYR QB 1.964 . 2.446 2.049 2.025 2.083 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR HA 1 3 TYR QD 2.245 . 2.875 2.990 2.853 3.113 0.238 13 0 "[ . 1 . 2]" 1
33 1 3 TYR HA 1 4 ARG H 2.488 . 3.262 2.694 2.547 2.844 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HA 1 4 ARG HB2 3.127 . 4.349 4.147 3.945 4.434 0.085 4 0 "[ . 1 . 2]" 1
35 1 3 TYR HA 1 6 ARG QD 2.980 . 4.090 4.334 4.181 4.437 0.347 20 0 "[ . 1 . 2]" 1
36 1 3 TYR HA 1 8 VAL QG 2.992 . 4.111 3.716 3.660 3.859 . 0 0 "[ . 1 . 2]" 1
37 1 3 TYR HA 1 8 VAL QG 2.615 . 3.470 3.503 3.465 3.566 0.096 8 0 "[ . 1 . 2]" 1
38 1 3 TYR HA 1 39 HIS HE2 3.084 . 4.273 4.052 2.968 4.446 0.173 20 0 "[ . 1 . 2]" 1
39 1 3 TYR QB 1 3 TYR QD 2.034 . 2.551 2.113 2.104 2.138 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR QB 1 3 TYR QE 2.884 . 3.924 3.909 3.898 3.920 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR QB 1 4 ARG H 2.884 . 3.924 2.034 1.859 2.172 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR QB 1 4 ARG HB3 2.959 . 4.053 3.585 3.431 3.838 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR QB 1 6 ARG HG3 3.011 . 4.144 2.538 2.232 3.475 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR QB 1 8 VAL HA 2.760 . 3.712 3.347 3.180 3.494 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR QB 1 8 VAL HB 3.103 . 4.307 4.299 4.092 4.505 0.198 8 0 "[ . 1 . 2]" 1
46 1 3 TYR QB 1 8 VAL QG 2.687 . 3.589 1.865 1.761 2.010 0.024 1 0 "[ . 1 . 2]" 1
47 1 3 TYR QD 1 4 ARG HB3 3.292 . 4.647 5.011 4.898 5.200 0.553 15 1 "[ . 1 + 2]" 1
48 1 3 TYR QD 1 6 ARG QD 3.134 . 4.362 2.343 2.055 2.603 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR QD 1 6 ARG HG2 3.181 . 4.446 3.616 3.282 4.237 . 0 0 "[ . 1 . 2]" 1
50 1 3 TYR QD 1 8 VAL HA 2.683 . 3.583 3.516 3.062 3.634 0.051 13 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 8 VAL QG 2.517 . 3.309 2.150 1.977 2.256 . 0 0 "[ . 1 . 2]" 1
52 1 3 TYR QE 1 6 ARG QD 2.761 . 3.714 3.751 3.624 3.898 0.184 4 0 "[ . 1 . 2]" 1
53 1 3 TYR QE 1 8 VAL QG 2.942 . 4.024 4.098 3.836 4.230 0.206 5 0 "[ . 1 . 2]" 1
54 1 4 ARG H 1 4 ARG HA 2.704 . 3.618 2.856 2.800 2.896 . 0 0 "[ . 1 . 2]" 1
55 1 4 ARG H 1 4 ARG HB3 2.870 . 3.899 3.034 2.907 3.254 . 0 0 "[ . 1 . 2]" 1
56 1 4 ARG H 1 6 ARG QD 3.063 . 4.236 3.735 2.906 4.065 . 0 0 "[ . 1 . 2]" 1
57 1 4 ARG H 1 6 ARG HG2 2.643 . 3.516 3.383 2.899 3.950 0.434 9 0 "[ . 1 . 2]" 1
58 1 4 ARG HA 1 4 ARG HB2 2.430 . 3.168 2.470 2.394 2.722 . 0 0 "[ . 1 . 2]" 1
59 1 4 ARG HA 1 4 ARG HB3 2.382 . 3.091 2.288 2.256 2.352 . 0 0 "[ . 1 . 2]" 1
60 1 4 ARG HA 1 4 ARG QG 2.180 . 2.774 2.220 2.132 2.283 . 0 0 "[ . 1 . 2]" 1
61 1 4 ARG HA 1 5 GLY H 2.794 . 3.770 2.251 2.140 2.588 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG HB2 1 8 VAL QG 2.908 . 3.965 3.429 3.148 3.627 . 0 0 "[ . 1 . 2]" 1
63 1 4 ARG HB3 1 4 ARG QD 2.121 . 2.683 2.654 2.168 2.977 0.294 14 0 "[ . 1 . 2]" 1
64 1 4 ARG HB3 1 8 VAL QG 2.742 . 3.682 3.992 3.847 4.102 0.420 20 0 "[ . 1 . 2]" 1
65 1 4 ARG QD 1 4 ARG QG 1.742 . 2.121 1.999 1.974 2.053 . 0 0 "[ . 1 . 2]" 1
66 1 4 ARG QD 1 8 VAL QG 2.947 . 4.032 4.134 3.545 4.294 0.262 16 0 "[ . 1 . 2]" 1
67 1 4 ARG QD 1 35 LEU MD2 2.973 . 4.078 3.635 3.549 3.758 . 0 0 "[ . 1 . 2]" 1
68 1 4 ARG QD 1 32 GLU QB 1.947 . 2.421 2.101 1.898 2.357 . 0 0 "[ . 1 . 2]" 1
69 1 4 ARG QD 1 33 ASP HA 2.701 . 3.613 3.753 3.652 3.871 0.258 11 0 "[ . 1 . 2]" 1
70 1 4 ARG QD 1 36 MET HG3 3.539 . 5.105 2.156 1.928 2.649 0.045 18 0 "[ . 1 . 2]" 1
71 1 4 ARG QG 1 5 GLY QA 2.894 . 3.941 2.959 2.474 3.643 . 0 0 "[ . 1 . 2]" 1
72 1 4 ARG QG 1 8 VAL QG 2.360 . 3.056 2.141 1.797 2.420 . 0 0 "[ . 1 . 2]" 1
73 1 4 ARG QG 1 31 VAL MG1 2.825 . 3.823 3.466 3.369 3.607 . 0 0 "[ . 1 . 2]" 1
74 1 4 ARG QG 1 32 GLU QB 1.619 . 1.947 1.956 1.839 2.057 0.110 9 0 "[ . 1 . 2]" 1
75 1 5 GLY H 1 32 GLU HA 2.651 . 3.529 3.642 3.559 3.750 0.221 4 0 "[ . 1 . 2]" 1
76 1 5 GLY QA 1 6 ARG QD 2.885 . 3.925 4.064 3.608 4.330 0.405 4 0 "[ . 1 . 2]" 1
77 1 6 ARG H 1 8 VAL H 2.769 . 3.727 2.454 2.105 3.043 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG HA 1 7 GLY H 2.606 . 3.455 2.724 2.593 2.997 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG HA 1 8 VAL H 3.010 . 4.142 4.317 4.031 4.361 0.219 3 0 "[ . 1 . 2]" 1
80 1 6 ARG HB2 1 6 ARG QD 2.072 . 2.609 2.684 2.381 3.217 0.608 8 3 "[ -. + 1 * . 2]" 1
81 1 6 ARG QD 1 6 ARG HG2 1.941 . 2.412 2.327 2.148 2.387 . 0 0 "[ . 1 . 2]" 1
82 1 6 ARG QD 1 8 VAL QG 2.483 . 3.253 2.245 1.954 2.469 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY H 1 7 GLY QA 2.498 . 3.278 2.211 2.199 2.227 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY H 1 8 VAL H 2.798 . 3.777 2.635 2.431 3.569 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY HA2 1 8 VAL H 2.439 . 3.183 2.916 2.587 3.472 0.289 8 0 "[ . 1 . 2]" 1
86 1 7 GLY HA2 1 8 VAL QG 2.571 . 3.397 2.774 2.372 2.935 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 8 VAL HA 2.479 . 3.247 2.722 2.223 2.842 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 8 VAL QG 2.135 . 2.705 1.715 1.640 2.471 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL HA 1 8 VAL HB 2.317 . 2.988 2.641 2.596 2.733 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL HA 1 8 VAL HB 2.134 . 2.703 2.216 2.169 2.292 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL HA 1 8 VAL QG 1.780 . 2.176 2.062 2.024 2.100 . 0 0 "[ . 1 . 2]" 1
92 1 8 VAL HA 1 9 ALA H 2.042 . 2.563 2.019 1.979 2.091 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL HA 1 9 ALA HA 3.180 . 4.444 4.314 4.263 4.339 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL HA 1 15 TYR QD 3.149 . 4.388 4.289 4.050 4.371 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL HA 1 31 VAL MG1 3.404 . 4.852 4.825 4.637 4.934 0.082 16 0 "[ . 1 . 2]" 1
96 1 8 VAL HB 1 8 VAL QG 1.775 . 2.169 1.890 1.887 1.892 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL HB 1 9 ALA H 2.557 . 3.374 3.181 3.009 3.467 0.093 8 0 "[ . 1 . 2]" 1
98 1 8 VAL HB 1 10 LEU QB 3.494 . 4.512 3.221 3.064 3.435 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL HB 1 31 VAL MG1 3.446 . 4.931 3.403 3.178 3.510 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL HB 1 31 VAL MG2 3.402 . 4.849 4.639 4.463 4.860 0.011 12 0 "[ . 1 . 2]" 1
101 1 8 VAL HB 1 35 LEU HB3 3.165 . 4.417 4.636 4.570 4.698 0.281 2 0 "[ . 1 . 2]" 1
102 1 8 VAL HB 1 35 LEU MD1 1.953 . 2.430 1.971 1.861 2.030 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL QG 1 9 ALA H 2.239 . 2.865 3.140 3.025 3.220 0.355 7 0 "[ . 1 . 2]" 1
104 1 8 VAL QG 1 15 TYR QD 3.016 . 4.153 4.398 4.359 4.469 0.316 8 0 "[ . 1 . 2]" 1
105 1 8 VAL QG 1 15 TYR QE 2.490 . 3.265 3.212 3.097 3.332 0.067 12 0 "[ . 1 . 2]" 1
106 1 8 VAL QG 1 31 VAL MG1 2.823 . 3.819 2.093 1.980 2.185 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL QG 1 31 VAL MG1 1.868 . 2.304 2.033 1.945 2.126 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL QG 1 31 VAL MG2 2.811 . 3.798 3.801 3.625 3.855 0.057 16 0 "[ . 1 . 2]" 1
109 1 8 VAL QG 1 32 GLU H 2.955 . 4.046 3.595 3.295 3.731 . 0 0 "[ . 1 . 2]" 1
110 1 8 VAL QG 1 32 GLU HG3 2.799 . 3.778 3.348 2.870 3.639 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL QG 1 36 MET HG3 3.268 . 4.603 4.690 4.594 4.879 0.276 3 0 "[ . 1 . 2]" 1
112 1 9 ALA H 1 9 ALA HA 2.485 . 3.257 2.935 2.887 2.946 . 0 0 "[ . 1 . 2]" 1
113 1 9 ALA H 1 9 ALA MB 2.075 . 2.613 2.384 2.289 2.426 . 0 0 "[ . 1 . 2]" 1
114 1 9 ALA H 1 10 LEU H 2.993 . 4.113 1.938 1.855 2.267 0.018 17 0 "[ . 1 . 2]" 1
115 1 9 ALA HA 1 9 ALA MB 1.851 . 2.279 2.134 2.129 2.138 . 0 0 "[ . 1 . 2]" 1
116 1 9 ALA HA 1 10 LEU QB 2.990 . 4.108 3.830 3.786 3.934 . 0 0 "[ . 1 . 2]" 1
117 1 9 ALA HA 1 15 TYR QD 2.696 . 3.604 2.840 2.748 2.926 . 0 0 "[ . 1 . 2]" 1
118 1 9 ALA HA 1 31 VAL MG1 3.639 . 5.294 4.059 3.780 4.539 . 0 0 "[ . 1 . 2]" 1
119 1 9 ALA HA 1 15 TYR QE 2.852 . 3.868 2.859 2.619 3.577 . 0 0 "[ . 1 . 2]" 1
120 1 9 ALA MB 1 10 LEU H 2.390 . 3.104 3.056 2.853 3.160 0.056 20 0 "[ . 1 . 2]" 1
121 1 10 LEU H 1 10 LEU QB 2.655 . 3.298 2.819 2.792 2.880 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU H 1 10 LEU QD 2.589 . 3.427 3.144 2.963 3.340 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HA 1 10 LEU QB 2.402 . 3.123 2.302 2.234 2.338 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU HA 1 10 LEU QD 2.122 . 2.685 2.108 1.942 2.276 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HA 1 10 LEU HG 2.675 . 3.570 3.614 3.224 3.769 0.199 7 0 "[ . 1 . 2]" 1
126 1 10 LEU HA 1 11 THR H 2.861 . 3.884 2.665 2.473 3.402 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU HA 1 31 VAL MG1 3.455 . 4.947 4.704 4.495 4.783 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU HA 1 31 VAL MG2 3.319 . 4.696 4.691 4.616 4.746 0.050 3 0 "[ . 1 . 2]" 1
129 1 10 LEU QB 1 10 LEU QD 2.355 . 3.048 2.006 1.890 2.071 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU QB 1 10 LEU QD 2.363 . 3.061 1.778 1.667 1.847 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU QB 1 10 LEU QD 2.294 . 2.952 1.717 1.627 1.788 0.009 12 0 "[ . 1 . 2]" 1
132 1 10 LEU QB 1 15 TYR HA 3.069 . 4.246 3.075 2.997 3.265 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU QB 1 31 VAL MG2 3.254 . 4.577 3.067 2.840 3.309 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU QB 1 14 GLU HB2 3.399 . 4.410 4.402 4.170 4.967 0.557 14 1 "[ . 1 +. 2]" 1
135 1 10 LEU QB 1 15 TYR HA 2.967 . 4.068 3.283 3.177 3.394 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU QB 1 15 TYR HB2 3.409 . 4.862 1.867 1.817 1.921 0.158 3 0 "[ . 1 . 2]" 1
137 1 10 LEU QB 1 15 TYR HB3 3.351 . 4.755 3.528 3.478 3.592 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU QB 1 15 TYR QD 3.038 . 4.192 1.930 1.812 2.116 0.121 8 0 "[ . 1 . 2]" 1
139 1 10 LEU QB 1 15 TYR QE 3.578 . 5.178 3.638 3.545 3.723 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU QB 1 35 LEU MD1 2.127 . 2.693 2.003 1.773 2.173 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU QD 1 10 LEU HG 1.921 . 2.382 1.854 1.842 1.878 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU QD 1 11 THR H 3.158 . 4.405 1.792 1.658 2.677 0.253 6 0 "[ . 1 . 2]" 1
143 1 10 LEU QD 1 11 THR HA 3.063 . 4.236 3.565 3.334 4.190 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU QD 1 11 THR MG 2.590 . 3.428 1.915 1.716 2.612 0.036 12 0 "[ . 1 . 2]" 1
145 1 10 LEU QD 1 14 GLU HB2 2.501 . 3.283 1.797 1.517 2.297 0.202 1 0 "[ . 1 . 2]" 1
146 1 10 LEU QD 1 15 TYR H 2.826 . 3.824 2.031 1.754 2.383 0.074 12 0 "[ . 1 . 2]" 1
147 1 10 LEU QD 1 15 TYR HA 2.478 . 3.246 2.497 1.903 2.802 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU QD 1 15 TYR HB2 2.826 . 3.824 2.329 2.158 2.516 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU QD 1 15 TYR HB2 2.885 . 3.925 2.341 2.167 2.531 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU QD 1 34 PHE QD 2.629 . 3.493 3.171 2.308 3.530 0.037 12 0 "[ . 1 . 2]" 1
151 1 10 LEU QD 1 34 PHE QE 2.438 . 3.181 2.604 1.754 3.118 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU QD 1 34 PHE QE 2.844 . 3.855 2.280 1.737 2.514 0.096 2 0 "[ . 1 . 2]" 1
153 1 10 LEU QD 1 35 LEU HA 3.049 . 4.211 3.024 2.840 3.237 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU QD 1 35 LEU HA 2.092 . 2.639 2.059 1.969 2.139 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU QD 1 39 HIS QB 3.125 . 4.346 4.111 3.777 4.256 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU QD 1 39 HIS HE2 3.241 . 4.554 3.782 3.490 4.171 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU QD 1 39 HIS H 2.727 . 3.656 2.830 2.140 3.218 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU QD 1 38 ARG QD 2.387 . 3.099 1.925 1.726 2.210 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU QD 1 39 HIS HE2 3.348 . 4.749 3.984 3.593 4.546 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU HG 1 11 THR MG 2.975 . 4.081 3.658 2.084 4.168 0.087 6 0 "[ . 1 . 2]" 1
161 1 10 LEU HG 1 14 GLU HB2 2.986 . 4.101 3.317 2.195 4.427 0.326 14 0 "[ . 1 . 2]" 1
162 1 10 LEU HG 1 15 TYR H 3.018 . 4.157 3.796 2.609 4.204 0.047 4 0 "[ . 1 . 2]" 1
163 1 10 LEU HG 1 15 TYR QD 3.509 . 5.048 3.215 2.864 3.911 . 0 0 "[ . 1 . 2]" 1
164 1 10 LEU HG 1 34 PHE QD 3.414 . 4.871 3.757 3.075 5.162 0.291 2 0 "[ . 1 . 2]" 1
165 1 11 THR H 1 11 THR MG 2.763 . 3.718 2.088 1.761 2.940 0.047 19 0 "[ . 1 . 2]" 1
166 1 11 THR HA 1 11 THR HB 2.070 . 2.606 2.419 2.329 2.506 . 0 0 "[ . 1 . 2]" 1
167 1 11 THR HA 1 11 THR MG 1.885 . 2.329 2.379 1.987 2.690 0.361 17 0 "[ . 1 . 2]" 1
168 1 11 THR HA 1 12 ASP H 2.270 . 2.914 2.399 2.274 2.547 . 0 0 "[ . 1 . 2]" 1
169 1 11 THR HA 1 15 TYR H 2.987 . 4.102 4.158 3.970 4.253 0.151 7 0 "[ . 1 . 2]" 1
170 1 11 THR HB 1 11 THR MG 1.836 . 2.257 2.126 2.116 2.136 . 0 0 "[ . 1 . 2]" 1
171 1 11 THR HB 1 12 ASP H 2.647 . 3.523 3.543 2.106 3.726 0.203 14 0 "[ . 1 . 2]" 1
172 1 11 THR MG 1 12 ASP H 2.652 . 3.531 3.216 2.640 3.645 0.114 19 0 "[ . 1 . 2]" 1
173 1 11 THR MG 1 13 ASP H 2.845 . 3.857 3.118 2.544 3.966 0.109 20 0 "[ . 1 . 2]" 1
174 1 11 THR MG 1 13 ASP HB2 3.245 . 4.561 3.334 2.182 4.508 . 0 0 "[ . 1 . 2]" 1
175 1 11 THR MG 1 13 ASP HB3 3.082 . 4.269 3.319 2.502 3.775 . 0 0 "[ . 1 . 2]" 1
176 1 11 THR MG 1 14 GLU HB2 2.803 . 3.785 2.283 1.801 2.891 0.020 14 0 "[ . 1 . 2]" 1
177 1 11 THR MG 1 14 GLU HG2 3.197 . 4.475 3.064 2.001 4.345 . 0 0 "[ . 1 . 2]" 1
178 1 11 THR MG 1 14 GLU HG3 3.264 . 4.596 3.259 2.077 4.542 . 0 0 "[ . 1 . 2]" 1
179 1 11 THR MG 1 15 TYR HB2 3.203 . 4.486 4.556 4.407 4.643 0.157 12 0 "[ . 1 . 2]" 1
180 1 11 THR MG 1 63 MET QB 3.271 . 4.608 4.690 4.355 4.806 0.198 5 0 "[ . 1 . 2]" 1
181 1 11 THR MG 1 66 ASP HA 3.038 . 4.192 2.555 2.006 4.321 0.129 20 0 "[ . 1 . 2]" 1
182 1 12 ASP H 1 12 ASP HB2 2.756 . 3.706 2.681 2.231 3.633 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASP H 1 12 ASP HB3 2.697 . 3.606 3.006 2.454 3.622 0.016 14 0 "[ . 1 . 2]" 1
184 1 12 ASP H 1 13 ASP H 2.635 . 3.503 2.780 2.346 2.927 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASP HA 1 12 ASP HB2 2.197 . 2.800 2.696 2.378 3.021 0.221 3 0 "[ . 1 . 2]" 1
186 1 12 ASP HA 1 13 ASP H 2.342 . 3.028 2.739 2.719 2.769 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASP HA 1 15 TYR HB3 2.768 . 3.726 3.733 3.506 3.827 0.101 3 0 "[ . 1 . 2]" 1
188 1 12 ASP HB3 1 13 ASP H 2.325 . 3.001 2.624 2.149 3.207 0.206 13 0 "[ . 1 . 2]" 1
189 1 13 ASP H 1 13 ASP HB2 2.374 . 3.079 2.467 2.265 2.663 . 0 0 "[ . 1 . 2]" 1
190 1 13 ASP H 1 14 GLU H 2.711 . 3.630 2.772 2.509 2.932 . 0 0 "[ . 1 . 2]" 1
191 1 13 ASP HA 1 14 GLU HB2 3.304 . 4.668 4.480 3.942 4.797 0.129 20 0 "[ . 1 . 2]" 1
192 1 13 ASP HA 1 13 ASP HB2 2.113 . 2.671 2.667 2.384 2.983 0.312 5 0 "[ . 1 . 2]" 1
193 1 13 ASP HA 1 13 ASP HB3 2.253 . 2.887 2.765 2.481 3.023 0.136 19 0 "[ . 1 . 2]" 1
194 1 13 ASP HB2 1 14 GLU HA 3.261 . 4.590 3.564 3.428 3.738 . 0 0 "[ . 1 . 2]" 1
195 1 13 ASP HB2 1 14 GLU HB2 2.818 . 3.811 2.644 2.294 2.996 . 0 0 "[ . 1 . 2]" 1
196 1 13 ASP HB3 1 14 GLU HA 3.282 . 4.629 3.637 3.513 3.710 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLU H 1 15 TYR H 3.021 . 4.162 3.055 2.814 3.159 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLU HA 1 14 GLU HB2 2.436 . 3.178 1.969 1.735 2.583 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLU HA 1 14 GLU HB3 2.428 . 3.165 2.524 2.351 2.817 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLU HA 1 14 GLU HB3 2.153 . 2.732 2.010 1.902 2.164 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLU HA 1 14 GLU HG3 2.556 . 3.373 2.956 2.078 3.701 0.328 4 0 "[ . 1 . 2]" 1
202 1 14 GLU HA 1 14 GLU HG3 2.395 . 3.112 2.372 1.981 2.629 . 0 0 "[ . 1 . 2]" 1
203 1 14 GLU HA 1 15 TYR H 3.007 . 4.137 3.556 3.529 3.584 . 0 0 "[ . 1 . 2]" 1
204 1 14 GLU HA 1 17 GLU H 2.561 . 3.381 2.702 2.635 2.760 . 0 0 "[ . 1 . 2]" 1
205 1 14 GLU HA 1 17 GLU HB2 2.200 . 2.805 1.902 1.712 2.183 . 0 0 "[ . 1 . 2]" 1
206 1 14 GLU HA 1 34 PHE HZ 3.583 . 5.187 3.026 2.624 3.347 . 0 0 "[ . 1 . 2]" 1
207 1 14 GLU HB2 1 15 TYR H 3.004 . 4.132 2.871 2.665 3.170 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLU HB2 1 34 PHE QE 2.975 . 4.081 2.821 2.524 3.015 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLU HB3 1 14 GLU HG3 2.492 . 3.268 2.606 2.295 3.037 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLU HB3 1 34 PHE QE 2.992 . 4.111 1.990 1.788 2.333 0.085 8 0 "[ . 1 . 2]" 1
211 1 14 GLU HB3 1 34 PHE HZ 2.901 . 3.953 2.557 1.894 3.469 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLU HG3 1 57 TRP HZ2 3.587 . 5.196 4.342 3.408 4.837 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLU HG3 1 34 PHE QE 2.912 . 3.972 3.681 2.471 4.852 0.880 11 4 "[ * . * -+ . 2]" 1
214 1 14 GLU HG3 1 34 PHE HZ 3.306 . 4.672 3.536 1.863 5.231 0.559 11 1 "[ . 1+ . 2]" 1
215 1 14 GLU HG3 1 57 TRP HE1 2.916 . 3.979 3.587 2.763 4.171 0.192 7 0 "[ . 1 . 2]" 1
216 1 14 GLU HG3 1 63 MET HB2 2.890 . 3.934 3.478 2.568 3.984 0.050 11 0 "[ . 1 . 2]" 1
217 1 15 TYR H 1 15 TYR HA 2.950 . 4.038 2.826 2.793 2.845 . 0 0 "[ . 1 . 2]" 1
218 1 15 TYR H 1 15 TYR HB2 2.774 . 3.736 2.434 2.340 2.485 . 0 0 "[ . 1 . 2]" 1
219 1 15 TYR H 1 15 TYR HB3 2.754 . 3.702 2.556 2.466 2.638 . 0 0 "[ . 1 . 2]" 1
220 1 15 TYR H 1 15 TYR QD 2.999 . 4.123 3.963 3.859 4.044 . 0 0 "[ . 1 . 2]" 1
221 1 15 TYR H 1 16 ASP H 2.638 . 3.508 2.833 2.663 3.021 . 0 0 "[ . 1 . 2]" 1
222 1 15 TYR HA 1 15 TYR HB2 2.721 . 3.646 2.495 2.453 2.538 . 0 0 "[ . 1 . 2]" 1
223 1 15 TYR HA 1 15 TYR HB3 2.792 . 3.766 3.026 3.018 3.031 . 0 0 "[ . 1 . 2]" 1
224 1 15 TYR HA 1 15 TYR QD 2.580 . 3.412 3.032 2.939 3.076 . 0 0 "[ . 1 . 2]" 1
225 1 15 TYR HA 1 18 TRP QB 2.925 . 3.995 2.482 2.392 2.587 . 0 0 "[ . 1 . 2]" 1
226 1 15 TYR HA 1 18 TRP HE3 3.443 . 4.925 3.453 3.279 3.585 . 0 0 "[ . 1 . 2]" 1
227 1 15 TYR HA 1 31 VAL MG2 3.296 . 4.654 3.024 2.775 3.269 . 0 0 "[ . 1 . 2]" 1
228 1 15 TYR HB2 1 15 TYR QD 2.565 . 3.388 2.386 2.321 2.422 . 0 0 "[ . 1 . 2]" 1
229 1 15 TYR HB2 1 15 TYR QE 3.028 . 4.174 3.951 3.942 3.961 . 0 0 "[ . 1 . 2]" 1
230 1 15 TYR HB2 1 34 PHE QE 3.449 . 4.936 4.535 4.396 4.654 . 0 0 "[ . 1 . 2]" 1
231 1 15 TYR HB3 1 15 TYR QD 2.572 . 3.399 2.478 2.429 2.551 . 0 0 "[ . 1 . 2]" 1
232 1 15 TYR HB3 1 15 TYR QE 3.244 . 4.559 4.443 4.417 4.480 . 0 0 "[ . 1 . 2]" 1
233 1 15 TYR QD 1 16 ASP HA 2.829 . 3.830 3.187 2.976 3.460 . 0 0 "[ . 1 . 2]" 1
234 1 15 TYR QD 1 19 ARG QD 3.349 . 4.751 4.067 3.676 4.515 . 0 0 "[ . 1 . 2]" 1
235 1 15 TYR QD 1 19 ARG HG3 3.470 . 4.975 4.106 3.973 4.240 . 0 0 "[ . 1 . 2]" 1
236 1 15 TYR QD 1 31 VAL MG1 2.917 . 3.981 3.340 3.147 3.618 . 0 0 "[ . 1 . 2]" 1
237 1 15 TYR QD 1 31 VAL MG2 2.661 . 3.546 2.367 2.263 2.547 . 0 0 "[ . 1 . 2]" 1
238 1 15 TYR QD 1 35 LEU MD2 2.497 . 3.277 2.733 2.597 2.872 . 0 0 "[ . 1 . 2]" 1
239 1 15 TYR QD 1 35 LEU MD1 2.329 . 3.007 3.200 3.078 3.322 0.315 8 0 "[ . 1 . 2]" 1
240 1 15 TYR QD 1 35 LEU QD 2.415 . 3.144 2.774 2.674 2.890 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR QE 1 19 ARG QD 2.722 . 3.648 3.659 3.556 3.728 0.080 16 0 "[ . 1 . 2]" 1
242 1 15 TYR QE 1 31 VAL HA 3.154 . 4.397 4.230 4.131 4.387 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR QE 1 31 VAL MG1 2.729 . 3.660 2.107 1.897 2.281 . 0 0 "[ . 1 . 2]" 1
244 1 15 TYR QE 1 31 VAL MG2 2.854 . 3.872 2.258 1.999 2.474 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASP HA 1 17 GLU H 3.180 . 4.444 3.523 3.506 3.546 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASP HA 1 19 ARG HB2 2.717 . 3.640 3.685 3.574 3.738 0.098 17 0 "[ . 1 . 2]" 1
247 1 16 ASP HA 1 19 ARG HG2 2.878 . 3.913 3.578 3.152 3.689 . 0 0 "[ . 1 . 2]" 1
248 1 16 ASP HA 1 19 ARG HG3 3.031 . 4.179 2.512 2.291 2.666 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASP HB2 1 17 GLU H 2.766 . 3.722 3.252 2.530 3.840 0.118 18 0 "[ . 1 . 2]" 1
250 1 16 ASP HB3 1 17 GLU H 2.470 . 3.232 2.956 2.454 3.673 0.441 2 0 "[ . 1 . 2]" 1
251 1 17 GLU H 1 17 GLU HB2 2.396 . 3.113 2.398 2.300 2.516 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 57 TRP HH2 2.781 . 3.748 3.388 3.105 3.575 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HA 1 19 ARG H 2.843 . 3.854 3.033 2.993 3.054 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLU HA 1 20 GLU QB 2.369 . 3.071 2.647 2.517 2.798 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU HA 1 20 GLU QG 2.893 . 3.939 3.477 3.352 3.576 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLU QB 1 34 PHE HZ 3.027 . 4.172 3.490 3.233 3.829 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLU HB2 1 20 GLU H 2.959 . 4.054 3.653 3.627 3.706 . 0 0 "[ . 1 . 2]" 1
258 1 18 TRP H 1 18 TRP QB 2.445 . 3.192 2.111 2.089 2.137 . 0 0 "[ . 1 . 2]" 1
259 1 18 TRP H 1 19 ARG H 2.957 . 4.050 2.584 2.536 2.641 . 0 0 "[ . 1 . 2]" 1
260 1 18 TRP HA 1 56 TRP HH2 3.007 . 4.137 3.642 3.558 3.713 . 0 0 "[ . 1 . 2]" 1
261 1 18 TRP HA 1 34 PHE QE 3.105 . 4.310 2.652 2.479 2.802 . 0 0 "[ . 1 . 2]" 1
262 1 18 TRP QB 1 18 TRP HE3 3.288 . 4.640 2.395 2.368 2.414 . 0 0 "[ . 1 . 2]" 1
263 1 18 TRP QB 1 19 ARG H 2.987 . 4.102 2.849 2.767 2.930 . 0 0 "[ . 1 . 2]" 1
264 1 18 TRP QB 1 35 LEU MD2 2.580 . 3.412 3.441 3.332 3.495 0.083 2 0 "[ . 1 . 2]" 1
265 1 18 TRP HD1 1 21 HIS HB3 3.516 . 5.061 3.212 3.000 3.323 . 0 0 "[ . 1 . 2]" 1
266 1 18 TRP HD1 1 21 HIS HB3 2.665 . 3.553 2.963 2.845 3.055 . 0 0 "[ . 1 . 2]" 1
267 1 18 TRP HD1 1 27 LEU MD1 3.496 . 5.024 4.253 4.191 4.335 . 0 0 "[ . 1 . 2]" 1
268 1 18 TRP HD1 1 29 LEU QB 3.512 . 5.054 4.666 4.542 4.712 . 0 0 "[ . 1 . 2]" 1
269 1 18 TRP HD1 1 29 LEU MD1 3.016 . 4.153 2.494 2.178 2.791 . 0 0 "[ . 1 . 2]" 1
270 1 18 TRP HD1 1 29 LEU HG 2.897 . 3.946 2.945 2.806 3.076 . 0 0 "[ . 1 . 2]" 1
271 1 18 TRP HD1 1 31 VAL HA 3.026 . 4.170 3.489 3.299 3.638 . 0 0 "[ . 1 . 2]" 1
272 1 18 TRP HD1 1 31 VAL MG2 3.194 . 4.470 4.039 3.874 4.161 . 0 0 "[ . 1 . 2]" 1
273 1 18 TRP HD1 1 34 PHE H 3.051 . 4.214 3.998 3.812 4.097 . 0 0 "[ . 1 . 2]" 1
274 1 18 TRP HD1 1 34 PHE HA 3.042 . 4.199 4.078 3.952 4.155 . 0 0 "[ . 1 . 2]" 1
275 1 18 TRP HD1 1 34 PHE HB2 2.555 . 3.371 1.854 1.810 1.905 . 0 0 "[ . 1 . 2]" 1
276 1 18 TRP HD1 1 34 PHE QD 2.924 . 3.993 2.651 2.528 2.780 . 0 0 "[ . 1 . 2]" 1
277 1 18 TRP HD1 1 34 PHE QE 3.309 . 4.678 4.690 4.582 4.770 0.092 11 0 "[ . 1 . 2]" 1
278 1 18 TRP HE1 1 31 VAL H 2.969 . 4.071 3.637 3.341 3.790 . 0 0 "[ . 1 . 2]" 1
279 1 18 TRP HE1 1 30 SER HA 2.990 . 4.108 3.022 2.872 3.370 . 0 0 "[ . 1 . 2]" 1
280 1 18 TRP HE1 1 31 VAL HA 3.018 . 4.157 3.082 2.947 3.232 . 0 0 "[ . 1 . 2]" 1
281 1 18 TRP HE1 1 34 PHE QB 3.099 . 4.300 3.510 3.410 3.569 . 0 0 "[ . 1 . 2]" 1
282 1 18 TRP HE3 1 19 ARG H 3.184 . 4.451 3.024 2.931 3.154 . 0 0 "[ . 1 . 2]" 1
283 1 18 TRP HE3 1 19 ARG HA 3.409 . 4.862 4.258 4.064 4.353 . 0 0 "[ . 1 . 2]" 1
284 1 18 TRP HE3 1 19 ARG HB2 3.501 . 5.033 4.779 4.663 4.876 . 0 0 "[ . 1 . 2]" 1
285 1 18 TRP HE3 1 19 ARG HB3 3.518 . 5.065 5.095 4.972 5.173 0.108 11 0 "[ . 1 . 2]" 1
286 1 18 TRP HE3 1 19 ARG QD 3.571 . 5.165 3.735 3.614 3.857 . 0 0 "[ . 1 . 2]" 1
287 1 18 TRP HE3 1 19 ARG HG2 2.128 . 2.694 2.759 2.272 3.152 0.458 2 0 "[ . 1 . 2]" 1
288 1 18 TRP HE3 1 19 ARG HG3 2.996 . 4.118 2.707 2.518 3.563 . 0 0 "[ . 1 . 2]" 1
289 1 18 TRP HE3 1 31 VAL HA 3.666 . 5.346 4.698 4.618 4.807 . 0 0 "[ . 1 . 2]" 1
290 1 18 TRP HE3 1 31 VAL MG2 3.699 . 5.410 2.682 2.592 2.778 . 0 0 "[ . 1 . 2]" 1
291 1 18 TRP HE3 1 35 LEU QD 3.402 . 4.849 4.934 4.889 4.978 0.129 6 0 "[ . 1 . 2]" 1
292 1 18 TRP HH2 1 19 ARG HG2 3.616 . 5.250 4.182 4.003 4.730 . 0 0 "[ . 1 . 2]" 1
293 1 18 TRP HH2 1 31 VAL MG2 3.246 . 4.563 4.060 3.938 4.201 . 0 0 "[ . 1 . 2]" 1
294 1 18 TRP HZ2 1 19 ARG HA 3.641 . 5.298 5.349 5.287 5.389 0.091 16 0 "[ . 1 . 2]" 1
295 1 18 TRP HZ2 1 30 SER HA 2.723 . 3.650 2.323 2.184 2.784 . 0 0 "[ . 1 . 2]" 1
296 1 18 TRP HZ2 1 30 SER QB 3.418 . 4.878 3.941 3.854 4.310 . 0 0 "[ . 1 . 2]" 1
297 1 18 TRP HZ2 1 31 VAL H 2.876 . 3.910 2.939 2.509 3.219 . 0 0 "[ . 1 . 2]" 1
298 1 18 TRP HZ2 1 31 VAL HA 3.552 . 5.129 3.930 3.817 4.039 . 0 0 "[ . 1 . 2]" 1
299 1 18 TRP HZ2 1 31 VAL HB 3.318 . 4.694 3.677 3.537 3.828 . 0 0 "[ . 1 . 2]" 1
300 1 18 TRP HZ2 1 31 VAL MG2 2.835 . 3.840 4.066 3.963 4.147 0.307 5 0 "[ . 1 . 2]" 1
301 1 18 TRP HZ3 1 19 ARG QD 3.345 . 4.744 3.055 2.533 3.454 . 0 0 "[ . 1 . 2]" 1
302 1 18 TRP HZ3 1 19 ARG HG3 3.175 . 4.435 3.656 3.434 4.033 . 0 0 "[ . 1 . 2]" 1
303 1 18 TRP HZ3 1 31 VAL MG2 3.567 . 5.157 3.416 3.299 3.541 . 0 0 "[ . 1 . 2]" 1
304 1 19 ARG H 1 19 ARG HA 2.479 . 3.247 2.277 2.211 2.331 . 0 0 "[ . 1 . 2]" 1
305 1 19 ARG H 1 19 ARG HB3 2.643 . 3.516 3.193 3.179 3.203 . 0 0 "[ . 1 . 2]" 1
306 1 19 ARG H 1 19 ARG QD 3.063 . 4.236 3.822 3.739 3.899 . 0 0 "[ . 1 . 2]" 1
307 1 19 ARG H 1 19 ARG HE 2.956 . 4.048 3.964 3.622 4.093 0.045 13 0 "[ . 1 . 2]" 1
308 1 19 ARG H 1 19 ARG HG2 3.159 . 4.406 2.864 2.097 3.199 . 0 0 "[ . 1 . 2]" 1
309 1 19 ARG H 1 20 GLU H 3.089 . 4.282 2.638 2.579 2.721 . 0 0 "[ . 1 . 2]" 1
310 1 19 ARG HA 1 19 ARG HB2 2.597 . 3.440 3.026 3.016 3.031 . 0 0 "[ . 1 . 2]" 1
311 1 19 ARG HA 1 19 ARG HB3 2.601 . 3.446 2.422 2.405 2.441 . 0 0 "[ . 1 . 2]" 1
312 1 19 ARG HA 1 19 ARG QD 2.495 . 3.273 3.272 2.896 3.811 0.538 17 2 "[ . 1 . + -]" 1
313 1 19 ARG HA 1 19 ARG HG2 2.634 . 3.501 2.565 2.474 2.670 . 0 0 "[ . 1 . 2]" 1
314 1 19 ARG HA 1 19 ARG HG3 2.638 . 3.508 3.385 3.213 3.751 0.243 9 0 "[ . 1 . 2]" 1
315 1 19 ARG HA 1 20 GLU HA 3.347 . 4.747 4.429 4.338 4.475 . 0 0 "[ . 1 . 2]" 1
316 1 19 ARG HA 1 22 ASN H 3.014 . 4.150 3.098 3.044 3.151 . 0 0 "[ . 1 . 2]" 1
317 1 19 ARG HA 1 23 ALA H 3.128 . 4.351 4.057 3.940 4.122 . 0 0 "[ . 1 . 2]" 1
318 1 19 ARG HB2 1 19 ARG QD 2.589 . 3.427 3.061 2.972 3.241 . 0 0 "[ . 1 . 2]" 1
319 1 19 ARG HB2 1 19 ARG HG2 2.624 . 3.484 2.979 2.734 3.016 . 0 0 "[ . 1 . 2]" 1
320 1 19 ARG HB2 1 19 ARG HG2 2.455 . 3.208 2.664 2.537 2.683 . 0 0 "[ . 1 . 2]" 1
321 1 19 ARG HB3 1 19 ARG QD 2.666 . 3.554 2.222 2.056 2.421 . 0 0 "[ . 1 . 2]" 1
322 1 19 ARG QD 1 19 ARG HG2 2.335 . 3.016 2.187 2.164 2.334 . 0 0 "[ . 1 . 2]" 1
323 1 19 ARG QD 1 19 ARG HG3 2.347 . 3.035 2.329 2.167 2.415 . 0 0 "[ . 1 . 2]" 1
324 1 20 GLU H 1 20 GLU HA 2.891 . 3.936 2.865 2.851 2.878 . 0 0 "[ . 1 . 2]" 1
325 1 20 GLU H 1 20 GLU QB 2.571 . 3.397 2.297 2.269 2.339 . 0 0 "[ . 1 . 2]" 1
326 1 20 GLU HA 1 20 GLU QB 2.166 . 2.752 2.363 2.329 2.378 . 0 0 "[ . 1 . 2]" 1
327 1 20 GLU HA 1 20 GLU QG 2.417 . 3.147 2.423 2.330 2.992 . 0 0 "[ . 1 . 2]" 1
328 1 20 GLU HA 1 20 GLU QG 2.495 . 3.273 2.287 2.208 2.553 . 0 0 "[ . 1 . 2]" 1
329 1 20 GLU HA 1 21 HIS HA 3.055 . 4.222 3.769 3.751 3.780 . 0 0 "[ . 1 . 2]" 1
330 1 20 GLU HA 1 23 ALA H 2.312 . 2.980 2.605 2.505 2.655 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLU HA 1 23 ALA MB 2.160 . 2.743 2.614 2.292 2.700 . 0 0 "[ . 1 . 2]" 1
332 1 20 GLU QB 1 20 GLU QG 2.344 . 3.031 2.077 1.954 2.088 . 0 0 "[ . 1 . 2]" 1
333 1 20 GLU QB 1 23 ALA MB 3.006 . 4.135 4.122 3.791 4.191 0.056 12 0 "[ . 1 . 2]" 1
334 1 20 GLU QB 1 57 TRP HH2 2.801 . 3.782 3.418 2.909 3.762 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU HB3 1 21 HIS H 2.991 . 4.109 2.599 2.480 2.763 . 0 0 "[ . 1 . 2]" 1
336 1 20 GLU HB3 1 21 HIS HA 3.419 . 4.881 4.342 4.304 4.381 . 0 0 "[ . 1 . 2]" 1
337 1 20 GLU HB3 1 56 TRP HH2 3.163 . 4.414 4.438 4.385 4.465 0.051 10 0 "[ . 1 . 2]" 1
338 1 20 GLU QG 1 21 HIS HA 3.569 . 5.161 3.874 3.642 3.978 . 0 0 "[ . 1 . 2]" 1
339 1 20 GLU QG 1 57 TRP HZ3 3.597 . 5.214 3.450 3.142 3.801 . 0 0 "[ . 1 . 2]" 1
340 1 20 GLU QG 1 23 ALA MB 3.086 . 3.817 2.988 2.720 3.373 . 0 0 "[ . 1 . 2]" 1
341 1 20 GLU QG 1 56 TRP HZ2 2.638 . 3.508 3.485 3.265 3.544 0.036 2 0 "[ . 1 . 2]" 1
342 1 20 GLU QG 1 56 TRP HZ2 2.679 . 3.576 3.353 3.154 3.452 . 0 0 "[ . 1 . 2]" 1
343 1 21 HIS H 1 21 HIS HB2 3.046 . 4.206 2.570 2.531 2.604 . 0 0 "[ . 1 . 2]" 1
344 1 21 HIS H 1 21 HIS HB3 2.972 . 4.076 2.552 2.499 2.624 . 0 0 "[ . 1 . 2]" 1
345 1 21 HIS H 1 22 ASN H 3.362 . 4.775 2.740 2.644 2.789 . 0 0 "[ . 1 . 2]" 1
346 1 21 HIS HA 1 21 HIS HB2 2.696 . 3.605 2.431 2.410 2.449 . 0 0 "[ . 1 . 2]" 1
347 1 21 HIS HA 1 21 HIS HB3 2.750 . 3.695 3.030 3.025 3.033 . 0 0 "[ . 1 . 2]" 1
348 1 21 HIS HA 1 21 HIS HD2 3.195 . 4.471 2.618 2.560 2.675 . 0 0 "[ . 1 . 2]" 1
349 1 21 HIS HA 1 24 SER HB2 2.990 . 4.107 4.133 4.105 4.152 0.045 1 0 "[ . 1 . 2]" 1
350 1 21 HIS HA 1 24 SER HB3 3.128 . 4.351 2.903 2.828 2.976 . 0 0 "[ . 1 . 2]" 1
351 1 21 HIS HA 1 56 TRP HH2 3.184 . 4.451 2.022 1.900 2.167 0.017 6 0 "[ . 1 . 2]" 1
352 1 21 HIS HA 1 56 TRP HZ2 2.729 . 3.660 2.560 2.408 2.734 . 0 0 "[ . 1 . 2]" 1
353 1 21 HIS HA 1 56 TRP HZ3 3.261 . 4.590 2.448 2.362 2.779 . 0 0 "[ . 1 . 2]" 1
354 1 21 HIS HA 1 57 TRP HZ3 3.344 . 4.742 3.870 3.256 3.969 . 0 0 "[ . 1 . 2]" 1
355 1 21 HIS HB2 1 21 HIS HD2 3.376 . 4.801 3.363 3.292 3.419 . 0 0 "[ . 1 . 2]" 1
356 1 21 HIS HB2 1 34 PHE QE 3.382 . 4.812 2.561 2.327 2.757 . 0 0 "[ . 1 . 2]" 1
357 1 21 HIS HB2 1 34 PHE QE 3.143 . 4.378 2.085 1.883 2.354 0.025 18 0 "[ . 1 . 2]" 1
358 1 21 HIS HB2 1 56 TRP HH2 2.815 . 3.806 2.125 2.079 2.288 . 0 0 "[ . 1 . 2]" 1
359 1 21 HIS HB2 1 56 TRP HZ2 3.106 . 4.312 4.128 4.035 4.225 . 0 0 "[ . 1 . 2]" 1
360 1 21 HIS HB2 1 57 TRP HZ3 3.193 . 4.468 4.289 3.047 4.431 . 0 0 "[ . 1 . 2]" 1
361 1 21 HIS HB3 1 21 HIS HD2 3.394 . 4.834 3.935 3.907 3.960 . 0 0 "[ . 1 . 2]" 1
362 1 21 HIS HB3 1 22 ASN H 3.035 . 4.186 2.602 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
363 1 21 HIS HB3 1 27 LEU MD1 3.545 . 5.116 4.138 4.006 4.307 . 0 0 "[ . 1 . 2]" 1
364 1 21 HIS HB3 1 29 LEU MD2 2.210 . 2.821 2.218 1.977 2.463 . 0 0 "[ . 1 . 2]" 1
365 1 21 HIS HB3 1 34 PHE QD 3.212 . 4.502 2.747 2.457 2.887 . 0 0 "[ . 1 . 2]" 1
366 1 21 HIS HB3 1 34 PHE QE 3.072 . 4.251 3.496 3.199 3.675 . 0 0 "[ . 1 . 2]" 1
367 1 21 HIS HB3 1 56 TRP HH2 2.706 . 3.621 3.680 3.635 3.727 0.106 15 0 "[ . 1 . 2]" 1
368 1 21 HIS HB3 1 56 TRP HZ3 3.488 . 5.009 4.776 4.630 5.027 0.018 2 0 "[ . 1 . 2]" 1
369 1 21 HIS HD2 1 25 ARG HD2 3.537 . 5.100 4.524 4.340 4.646 . 0 0 "[ . 1 . 2]" 1
370 1 21 HIS HD2 1 25 ARG HD3 3.365 . 4.780 4.110 3.891 4.377 . 0 0 "[ . 1 . 2]" 1
371 1 21 HIS HD2 1 25 ARG HG2 3.544 . 5.114 2.192 1.956 2.365 0.018 2 0 "[ . 1 . 2]" 1
372 1 21 HIS HD2 1 53 PHE QD 2.970 . 4.073 3.973 3.781 4.089 0.016 8 0 "[ . 1 . 2]" 1
373 1 21 HIS HD2 1 56 TRP HE3 3.234 . 4.541 4.045 3.876 4.370 . 0 0 "[ . 1 . 2]" 1
374 1 21 HIS HD2 1 56 TRP HZ2 3.144 . 4.380 2.966 2.816 3.079 . 0 0 "[ . 1 . 2]" 1
375 1 21 HIS HD2 1 56 TRP HZ3 3.523 . 5.074 3.125 2.922 3.279 . 0 0 "[ . 1 . 2]" 1
376 1 21 HIS HE1 1 27 LEU MD2 2.469 . 3.231 3.282 3.246 3.316 0.085 12 0 "[ . 1 . 2]" 1
377 1 21 HIS HE1 1 29 LEU QB 3.519 . 4.594 4.135 4.020 4.289 . 0 0 "[ . 1 . 2]" 1
378 1 21 HIS HE1 1 29 LEU MD1 2.498 . 3.278 1.985 1.874 2.169 . 0 0 "[ . 1 . 2]" 1
379 1 21 HIS HE1 1 29 LEU HG 2.641 . 3.513 3.656 3.591 3.722 0.209 12 0 "[ . 1 . 2]" 1
380 1 21 HIS HE1 1 37 LEU HB2 3.508 . 5.046 4.220 4.073 4.397 . 0 0 "[ . 1 . 2]" 1
381 1 21 HIS HE1 1 37 LEU QD 2.773 . 3.734 1.859 1.808 1.937 0.086 11 0 "[ . 1 . 2]" 1
382 1 22 ASN H 1 22 ASN HA 2.833 . 3.836 2.771 2.753 2.793 . 0 0 "[ . 1 . 2]" 1
383 1 22 ASN H 1 22 ASN HB2 2.841 . 3.850 2.394 2.236 2.532 . 0 0 "[ . 1 . 2]" 1
384 1 22 ASN H 1 22 ASN HB3 2.784 . 3.753 2.940 2.522 3.596 . 0 0 "[ . 1 . 2]" 1
385 1 22 ASN H 1 23 ALA H 2.565 . 3.387 2.794 2.669 2.905 . 0 0 "[ . 1 . 2]" 1
386 1 22 ASN H 1 24 SER H 3.013 . 4.148 4.257 4.192 4.293 0.145 13 0 "[ . 1 . 2]" 1
387 1 22 ASN HA 1 22 ASN HB3 2.494 . 3.271 2.880 2.570 3.032 . 0 0 "[ . 1 . 2]" 1
388 1 22 ASN HA 1 29 LEU QB 3.346 . 4.745 3.805 3.694 3.981 . 0 0 "[ . 1 . 2]" 1
389 1 22 ASN HA 1 27 LEU H 2.702 . 3.615 3.511 3.336 3.656 0.041 8 0 "[ . 1 . 2]" 1
390 1 22 ASN HA 1 29 LEU QB 3.472 . 4.978 4.308 4.124 4.510 . 0 0 "[ . 1 . 2]" 1
391 1 22 ASN HB2 1 23 ALA H 2.738 . 3.675 3.266 2.407 3.763 0.088 6 0 "[ . 1 . 2]" 1
392 1 22 ASN HB2 1 27 LEU MD1 2.809 . 3.795 3.827 3.523 4.301 0.506 4 1 "[ +. 1 . 2]" 1
393 1 22 ASN HB3 1 23 ALA H 2.795 . 3.772 2.637 2.151 3.251 . 0 0 "[ . 1 . 2]" 1
394 1 22 ASN HB3 1 23 ALA MB 3.369 . 4.787 3.902 3.616 4.379 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA H 1 23 ALA MB 2.123 . 2.686 2.211 2.195 2.220 . 0 0 "[ . 1 . 2]" 1
396 1 23 ALA H 1 24 SER H 2.559 . 3.377 2.831 2.769 2.938 . 0 0 "[ . 1 . 2]" 1
397 1 23 ALA HA 1 23 ALA MB 1.658 . 2.002 2.117 2.113 2.120 0.118 12 0 "[ . 1 . 2]" 1
398 1 23 ALA MB 1 24 SER H 2.782 . 3.750 2.140 2.092 2.187 . 0 0 "[ . 1 . 2]" 1
399 1 23 ALA MB 1 24 SER HA 2.705 . 3.620 3.576 3.537 3.600 . 0 0 "[ . 1 . 2]" 1
400 1 23 ALA MB 1 24 SER HB2 2.985 . 4.099 3.651 3.542 3.704 . 0 0 "[ . 1 . 2]" 1
401 1 23 ALA MB 1 24 SER HB3 3.041 . 4.197 4.315 4.285 4.341 0.144 13 0 "[ . 1 . 2]" 1
402 1 24 SER H 1 24 SER HB3 2.787 . 3.758 2.566 2.536 2.616 . 0 0 "[ . 1 . 2]" 1
403 1 24 SER HA 1 24 SER HB2 2.169 . 2.757 2.455 2.441 2.482 . 0 0 "[ . 1 . 2]" 1
404 1 24 SER HA 1 26 LYS QE 2.648 . 3.524 3.326 2.870 3.609 0.085 6 0 "[ . 1 . 2]" 1
405 1 24 SER HB2 1 56 TRP HE1 2.546 . 3.357 3.479 3.440 3.531 0.174 7 0 "[ . 1 . 2]" 1
406 1 24 SER HB2 1 56 TRP HZ2 2.766 . 3.722 2.840 2.748 2.921 . 0 0 "[ . 1 . 2]" 1
407 1 24 SER HB3 1 25 ARG HG2 3.281 . 4.627 3.260 2.975 3.449 . 0 0 "[ . 1 . 2]" 1
408 1 24 SER HB3 1 57 TRP HE3 3.379 . 4.806 4.980 4.922 5.049 0.243 1 0 "[ . 1 . 2]" 1
409 1 24 SER HB3 1 56 TRP HE3 3.112 . 4.322 4.558 4.519 4.591 0.269 2 0 "[ . 1 . 2]" 1
410 1 24 SER HB3 1 56 TRP HE1 2.387 . 3.099 2.863 2.689 3.123 0.024 2 0 "[ . 1 . 2]" 1
411 1 24 SER HB3 1 56 TRP HZ2 2.809 . 3.795 1.801 1.778 1.854 0.045 15 0 "[ . 1 . 2]" 1
412 1 24 SER HB3 1 57 TRP HZ3 3.314 . 4.687 4.725 4.666 4.797 0.110 15 0 "[ . 1 . 2]" 1
413 1 25 ARG HA 1 25 ARG HD2 3.222 . 4.520 1.947 1.899 1.993 0.025 10 0 "[ . 1 . 2]" 1
414 1 25 ARG HA 1 25 ARG HD3 3.350 . 4.753 3.518 3.453 3.588 . 0 0 "[ . 1 . 2]" 1
415 1 25 ARG HA 1 27 LEU MD2 3.048 . 4.209 4.464 4.382 4.543 0.334 8 0 "[ . 1 . 2]" 1
416 1 25 ARG HA 1 56 TRP HD1 3.427 . 4.895 4.693 4.516 4.960 0.065 2 0 "[ . 1 . 2]" 1
417 1 25 ARG HB2 1 25 ARG HD3 3.474 . 4.983 4.234 4.226 4.241 . 0 0 "[ . 1 . 2]" 1
418 1 25 ARG HB2 1 27 LEU H 3.109 . 4.318 3.706 3.257 4.337 0.019 3 0 "[ . 1 . 2]" 1
419 1 25 ARG HB2 1 27 LEU MD2 2.536 . 3.340 2.355 2.224 2.494 . 0 0 "[ . 1 . 2]" 1
420 1 25 ARG HD2 1 25 ARG HG2 2.897 . 3.946 2.406 2.369 2.517 . 0 0 "[ . 1 . 2]" 1
421 1 25 ARG HD2 1 27 LEU MD2 3.495 . 5.022 4.902 4.692 5.057 0.035 17 0 "[ . 1 . 2]" 1
422 1 25 ARG HD2 1 56 TRP HE1 2.747 . 3.690 3.785 3.707 4.190 0.500 12 1 "[ . 1 + . 2]" 1
423 1 25 ARG HD3 1 27 LEU MD2 3.522 . 5.073 4.884 4.591 5.101 0.028 10 0 "[ . 1 . 2]" 1
424 1 25 ARG HD3 1 56 TRP HD1 3.511 . 5.052 3.384 3.076 3.709 . 0 0 "[ . 1 . 2]" 1
425 1 25 ARG HG2 1 56 TRP HD1 3.113 . 4.324 4.411 4.351 4.521 0.197 2 0 "[ . 1 . 2]" 1
426 1 26 LYS H 1 26 LYS HA 2.730 . 3.662 2.254 2.246 2.262 . 0 0 "[ . 1 . 2]" 1
427 1 26 LYS H 1 26 LYS QG 2.835 . 3.840 2.922 2.584 3.334 . 0 0 "[ . 1 . 2]" 1
428 1 26 LYS H 1 27 LEU H 2.607 . 3.457 2.752 2.534 2.955 . 0 0 "[ . 1 . 2]" 1
429 1 26 LYS HA 1 26 LYS HB2 2.263 . 2.903 2.987 2.751 3.006 0.103 18 0 "[ . 1 . 2]" 1
430 1 26 LYS HA 1 26 LYS HB3 2.267 . 2.909 2.540 2.429 2.927 0.018 3 0 "[ . 1 . 2]" 1
431 1 26 LYS HA 1 26 LYS QD 2.438 . 3.181 2.467 1.876 3.157 . 0 0 "[ . 1 . 2]" 1
432 1 26 LYS HA 1 26 LYS QG 2.093 . 2.641 2.563 2.311 2.851 0.210 1 0 "[ . 1 . 2]" 1
433 1 26 LYS HA 1 26 LYS QG 1.999 . 2.498 2.311 2.161 2.486 . 0 0 "[ . 1 . 2]" 1
434 1 26 LYS HA 1 27 LEU H 2.544 . 3.353 2.791 2.487 3.003 . 0 0 "[ . 1 . 2]" 1
435 1 26 LYS HB2 1 26 LYS QG 1.949 . 2.424 2.060 1.941 2.148 . 0 0 "[ . 1 . 2]" 1
436 1 26 LYS HB3 1 26 LYS QD 2.661 . 3.546 2.883 2.318 3.500 . 0 0 "[ . 1 . 2]" 1
437 1 26 LYS HB3 1 26 LYS QG 2.120 . 2.682 2.260 2.153 2.396 . 0 0 "[ . 1 . 2]" 1
438 1 26 LYS QD 1 26 LYS QE 1.731 . 2.106 1.807 1.782 1.859 . 0 0 "[ . 1 . 2]" 1
439 1 26 LYS QD 1 26 LYS QG 1.861 . 2.294 2.085 2.005 2.091 . 0 0 "[ . 1 . 2]" 1
440 1 26 LYS QE 1 26 LYS QG 2.256 . 2.892 2.316 2.127 2.377 . 0 0 "[ . 1 . 2]" 1
441 1 26 LYS QE 1 26 LYS QG 1.986 . 2.479 2.176 2.009 2.254 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU H 1 27 LEU HA 2.910 . 3.968 2.912 2.883 2.925 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU H 1 27 LEU QB 2.723 . 3.650 3.115 2.967 3.307 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU H 1 27 LEU MD1 2.819 . 3.812 1.942 1.805 2.227 0.021 17 0 "[ . 1 . 2]" 1
445 1 27 LEU H 1 27 LEU MD2 3.077 . 4.260 3.780 3.489 4.126 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU H 1 27 LEU HG 2.671 . 3.563 2.209 1.789 2.725 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU H 1 28 ASP H 3.053 . 4.218 4.300 4.270 4.338 0.120 2 0 "[ . 1 . 2]" 1
448 1 27 LEU HA 1 27 LEU HB2 2.827 . 3.826 2.680 2.647 2.727 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU HA 1 27 LEU MD1 3.189 . 4.460 3.424 3.384 3.474 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU HA 1 27 LEU HG 2.901 . 3.953 3.571 3.475 3.632 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU HA 1 28 ASP H 2.195 . 2.797 2.673 2.599 2.771 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU HB2 1 27 LEU MD1 2.498 . 3.278 2.291 2.252 2.321 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU HB2 1 27 LEU MD2 2.612 . 3.465 2.417 2.347 2.474 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU HB2 1 28 ASP H 2.393 . 3.109 1.884 1.753 2.006 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU HB2 1 29 LEU QB 3.107 . 4.313 3.170 2.802 3.759 . 0 0 "[ . 1 . 2]" 1
456 1 27 LEU HB2 1 29 LEU MD1 3.058 . 4.227 4.410 4.355 4.487 0.260 4 0 "[ . 1 . 2]" 1
457 1 27 LEU HB3 1 27 LEU MD2 2.131 . 2.699 1.948 1.927 1.965 . 0 0 "[ . 1 . 2]" 1
458 1 27 LEU MD1 1 27 LEU HG 2.367 . 3.067 2.114 2.108 2.123 . 0 0 "[ . 1 . 2]" 1
459 1 27 LEU MD1 1 28 ASP H 2.401 . 3.122 3.189 3.124 3.269 0.147 10 0 "[ . 1 . 2]" 1
460 1 27 LEU MD2 1 28 ASP H 2.836 . 3.841 3.963 3.908 4.017 0.176 20 0 "[ . 1 . 2]" 1
461 1 27 LEU MD2 1 29 LEU QB 2.613 . 3.467 2.783 2.312 3.446 . 0 0 "[ . 1 . 2]" 1
462 1 27 LEU MD2 1 29 LEU MD1 2.261 . 2.900 2.820 2.657 2.984 0.084 7 0 "[ . 1 . 2]" 1
463 1 27 LEU MD2 1 53 PHE QD 3.365 . 4.780 4.716 4.552 4.871 0.091 2 0 "[ . 1 . 2]" 1
464 1 27 LEU HG 1 29 LEU MD2 2.273 . 2.919 2.928 2.891 2.988 0.069 6 0 "[ . 1 . 2]" 1
465 1 28 ASP H 1 28 ASP HA 2.544 . 3.353 2.915 2.899 2.931 . 0 0 "[ . 1 . 2]" 1
466 1 28 ASP H 1 28 ASP HB2 2.524 . 3.320 3.225 3.115 3.306 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASP H 1 28 ASP HB3 2.503 . 3.286 2.866 2.785 3.001 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASP H 1 29 LEU H 2.851 . 3.867 3.083 2.251 3.914 0.047 19 0 "[ . 1 . 2]" 1
469 1 28 ASP H 1 29 LEU MD2 2.939 . 4.019 4.143 4.078 4.269 0.250 10 0 "[ . 1 . 2]" 1
470 1 28 ASP HA 1 28 ASP HB2 2.363 . 3.061 2.511 2.464 2.557 . 0 0 "[ . 1 . 2]" 1
471 1 28 ASP HA 1 28 ASP HB3 2.085 . 2.628 2.281 2.126 2.350 . 0 0 "[ . 1 . 2]" 1
472 1 28 ASP HA 1 29 LEU H 3.029 . 4.176 2.412 2.116 2.778 . 0 0 "[ . 1 . 2]" 1
473 1 29 LEU HA 1 29 LEU HG 2.343 . 3.029 3.256 3.150 3.369 0.340 7 0 "[ . 1 . 2]" 1
474 1 29 LEU HA 1 30 SER H 2.281 . 2.932 2.259 2.210 2.303 . 0 0 "[ . 1 . 2]" 1
475 1 29 LEU QB 1 29 LEU MD1 1.875 . 2.315 2.033 2.015 2.042 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU QB 1 29 LEU HG 1.936 . 2.405 2.373 2.298 2.420 0.015 10 0 "[ . 1 . 2]" 1
477 1 29 LEU QB 1 29 LEU HG 2.382 . 3.091 2.317 2.240 2.392 . 0 0 "[ . 1 . 2]" 1
478 1 29 LEU QB 1 30 SER H 2.759 . 3.710 2.816 2.546 3.061 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU QB 1 33 ASP HB2 3.004 . 4.132 2.525 1.974 2.905 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU QB 1 33 ASP HB3 2.882 . 3.920 2.966 2.565 3.350 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU QB 1 34 PHE HB2 3.538 . 5.103 4.468 4.345 4.556 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU QD 1 30 SER H 2.738 . 3.675 3.693 3.601 3.769 0.094 20 0 "[ . 1 . 2]" 1
483 1 29 LEU MD1 1 33 ASP HB2 2.656 . 3.538 2.226 1.980 2.541 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU MD1 1 33 ASP H 3.035 . 4.186 4.236 4.201 4.299 0.113 11 0 "[ . 1 . 2]" 1
485 1 29 LEU MD1 1 33 ASP HA 2.816 . 3.807 3.783 3.692 3.899 0.092 5 0 "[ . 1 . 2]" 1
486 1 29 LEU MD1 1 33 ASP HB3 2.304 . 2.967 2.604 2.190 2.993 0.026 6 0 "[ . 1 . 2]" 1
487 1 29 LEU MD1 1 33 ASP HB3 2.281 . 2.932 2.214 2.014 2.343 . 0 0 "[ . 1 . 2]" 1
488 1 29 LEU MD1 1 34 PHE HA 2.451 . 3.202 2.522 2.399 2.690 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU MD1 1 34 PHE HB2 2.690 . 3.594 2.210 2.015 2.455 . 0 0 "[ . 1 . 2]" 1
490 1 29 LEU MD1 1 34 PHE QD 2.845 . 3.856 3.061 2.876 3.263 . 0 0 "[ . 1 . 2]" 1
491 1 29 LEU MD1 1 35 LEU H 3.036 . 4.188 4.029 3.975 4.082 . 0 0 "[ . 1 . 2]" 1
492 1 29 LEU HG 1 34 PHE HB2 2.544 . 3.353 3.421 3.216 3.547 0.194 11 0 "[ . 1 . 2]" 1
493 1 29 LEU HG 1 34 PHE QD 3.278 . 4.621 2.697 2.306 3.068 . 0 0 "[ . 1 . 2]" 1
494 1 30 SER H 1 30 SER QB 2.992 . 3.919 2.538 2.441 2.841 . 0 0 "[ . 1 . 2]" 1
495 1 30 SER H 1 31 VAL H 3.125 . 4.346 4.286 4.174 4.359 0.013 15 0 "[ . 1 . 2]" 1
496 1 30 SER H 1 33 ASP H 3.156 . 4.401 3.963 3.554 4.211 . 0 0 "[ . 1 . 2]" 1
497 1 30 SER H 1 33 ASP HB2 3.033 . 4.183 3.037 2.652 3.268 . 0 0 "[ . 1 . 2]" 1
498 1 30 SER HA 1 30 SER QB 2.319 . 2.991 2.321 2.192 2.366 . 0 0 "[ . 1 . 2]" 1
499 1 30 SER HA 1 31 VAL H 2.467 . 3.228 2.543 2.356 2.660 . 0 0 "[ . 1 . 2]" 1
500 1 30 SER QB 1 31 VAL H 2.730 . 3.661 2.328 2.126 2.665 . 0 0 "[ . 1 . 2]" 1
501 1 30 SER QB 1 31 VAL HB 3.389 . 4.825 4.247 4.141 4.385 . 0 0 "[ . 1 . 2]" 1
502 1 30 SER QB 1 32 GLU H 3.017 . 4.155 3.062 2.601 3.247 . 0 0 "[ . 1 . 2]" 1
503 1 30 SER QB 1 32 GLU HA 3.302 . 4.665 4.450 4.370 4.529 . 0 0 "[ . 1 . 2]" 1
504 1 30 SER QB 1 32 GLU QB 3.200 . 4.480 3.157 2.904 3.335 . 0 0 "[ . 1 . 2]" 1
505 1 30 SER QB 1 32 GLU HG3 3.448 . 4.934 3.599 2.928 4.000 . 0 0 "[ . 1 . 2]" 1
506 1 30 SER QB 1 33 ASP H 2.516 . 3.307 2.583 2.454 2.685 . 0 0 "[ . 1 . 2]" 1
507 1 31 VAL H 1 31 VAL HA 2.809 . 3.795 2.729 2.632 2.801 . 0 0 "[ . 1 . 2]" 1
508 1 31 VAL H 1 31 VAL HB 2.658 . 3.541 2.204 2.114 2.282 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL H 1 31 VAL MG1 2.826 . 3.825 2.875 2.767 3.038 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL H 1 31 VAL MG2 2.541 . 3.348 3.526 3.407 3.597 0.249 20 0 "[ . 1 . 2]" 1
511 1 31 VAL HA 1 31 VAL HB 2.893 . 3.939 2.690 2.660 2.719 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL HA 1 31 VAL MG1 2.489 . 3.264 3.150 3.129 3.163 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL HA 1 31 VAL MG2 2.311 . 2.978 2.086 2.053 2.112 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL HA 1 34 PHE H 2.797 . 3.775 2.502 2.365 2.669 . 0 0 "[ . 1 . 2]" 1
515 1 31 VAL HA 1 34 PHE HA 3.118 . 4.333 4.158 4.017 4.335 0.002 12 0 "[ . 1 . 2]" 1
516 1 31 VAL HA 1 34 PHE HB2 3.209 . 4.496 3.245 3.172 3.306 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL HA 1 34 PHE HA 3.472 . 4.979 5.144 5.106 5.182 0.203 20 0 "[ . 1 . 2]" 1
518 1 31 VAL HA 1 34 PHE HB2 2.732 . 3.665 3.320 3.232 3.377 . 0 0 "[ . 1 . 2]" 1
519 1 31 VAL HA 1 35 LEU MD2 2.895 . 3.942 3.294 3.145 3.432 . 0 0 "[ . 1 . 2]" 1
520 1 31 VAL HB 1 31 VAL MG1 2.869 . 3.898 2.129 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
521 1 31 VAL HB 1 31 VAL MG2 2.316 . 2.987 2.100 2.095 2.107 . 0 0 "[ . 1 . 2]" 1
522 1 31 VAL HB 1 32 GLU H 2.937 . 4.015 3.499 3.410 3.630 . 0 0 "[ . 1 . 2]" 1
523 1 31 VAL MG1 1 31 VAL MG2 2.027 . 2.541 2.084 2.078 2.093 . 0 0 "[ . 1 . 2]" 1
524 1 31 VAL MG1 1 32 GLU H 2.753 . 3.700 2.090 2.016 2.234 . 0 0 "[ . 1 . 2]" 1
525 1 31 VAL MG1 1 32 GLU HA 2.816 . 3.808 2.832 2.771 2.916 . 0 0 "[ . 1 . 2]" 1
526 1 31 VAL MG1 1 32 GLU HG2 3.398 . 4.842 3.242 2.404 3.565 . 0 0 "[ . 1 . 2]" 1
527 1 31 VAL MG1 1 32 GLU HG3 3.382 . 4.812 2.627 2.379 2.953 . 0 0 "[ . 1 . 2]" 1
528 1 31 VAL MG1 1 35 LEU MD1 2.068 . 2.603 2.197 2.067 2.430 . 0 0 "[ . 1 . 2]" 1
529 1 31 VAL MG1 1 35 LEU HG 2.519 . 3.312 2.268 2.137 2.415 . 0 0 "[ . 1 . 2]" 1
530 1 31 VAL MG2 1 32 GLU H 3.172 . 4.430 4.001 3.937 4.065 . 0 0 "[ . 1 . 2]" 1
531 1 31 VAL MG2 1 34 PHE QB 3.227 . 4.529 2.920 2.827 3.020 . 0 0 "[ . 1 . 2]" 1
532 1 31 VAL MG2 1 35 LEU MD1 2.138 . 2.709 2.866 2.833 2.923 0.214 19 0 "[ . 1 . 2]" 1
533 1 31 VAL MG2 1 35 LEU MD2 2.021 . 2.531 1.847 1.775 1.975 . 0 0 "[ . 1 . 2]" 1
534 1 31 VAL MG2 1 35 LEU HG 2.861 . 3.884 3.060 2.986 3.158 . 0 0 "[ . 1 . 2]" 1
535 1 32 GLU H 1 32 GLU HA 2.785 . 3.754 2.732 2.709 2.768 . 0 0 "[ . 1 . 2]" 1
536 1 32 GLU H 1 32 GLU QB 2.574 . 3.402 2.619 2.559 2.730 . 0 0 "[ . 1 . 2]" 1
537 1 32 GLU H 1 32 GLU HG2 2.860 . 3.882 3.140 2.414 3.356 . 0 0 "[ . 1 . 2]" 1
538 1 32 GLU H 1 32 GLU HG3 2.958 . 4.052 1.930 1.795 2.145 0.069 19 0 "[ . 1 . 2]" 1
539 1 32 GLU H 1 33 ASP H 2.721 . 3.647 3.007 2.922 3.117 . 0 0 "[ . 1 . 2]" 1
540 1 32 GLU H 1 33 ASP H 2.401 . 3.121 2.608 2.561 2.653 . 0 0 "[ . 1 . 2]" 1
541 1 32 GLU HA 1 32 GLU QB 2.425 . 3.160 2.337 2.260 2.383 . 0 0 "[ . 1 . 2]" 1
542 1 32 GLU HA 1 32 GLU QB 2.294 . 2.952 2.300 2.236 2.339 . 0 0 "[ . 1 . 2]" 1
543 1 32 GLU HA 1 32 GLU HG2 2.483 . 3.254 2.653 2.517 2.836 . 0 0 "[ . 1 . 2]" 1
544 1 32 GLU HA 1 32 GLU HG3 2.543 . 3.351 3.104 2.891 3.447 0.096 12 0 "[ . 1 . 2]" 1
545 1 32 GLU HA 1 33 ASP H 3.095 . 4.292 3.575 3.559 3.595 . 0 0 "[ . 1 . 2]" 1
546 1 32 GLU HA 1 35 LEU H 2.988 . 4.104 3.516 3.347 3.706 . 0 0 "[ . 1 . 2]" 1
547 1 32 GLU HA 1 35 LEU HB3 3.052 . 4.216 4.265 4.133 4.342 0.126 16 0 "[ . 1 . 2]" 1
548 1 32 GLU HA 1 35 LEU MD1 2.293 . 2.950 2.950 2.830 3.090 0.140 8 0 "[ . 1 . 2]" 1
549 1 32 GLU HA 1 35 LEU MD2 2.800 . 3.780 3.938 3.842 4.022 0.242 7 0 "[ . 1 . 2]" 1
550 1 32 GLU HA 1 35 LEU HG 2.262 . 2.901 2.291 2.176 2.392 . 0 0 "[ . 1 . 2]" 1
551 1 32 GLU HA 1 36 MET H 3.114 . 4.326 4.031 3.933 4.134 . 0 0 "[ . 1 . 2]" 1
552 1 32 GLU HA 1 36 MET HG2 3.560 . 5.144 5.123 4.953 5.215 0.071 11 0 "[ . 1 . 2]" 1
553 1 32 GLU HA 1 36 MET HG3 3.409 . 4.861 4.163 4.013 4.353 . 0 0 "[ . 1 . 2]" 1
554 1 32 GLU QB 1 32 GLU HG3 2.336 . 3.018 2.363 2.245 2.442 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLU QB 1 33 ASP H 2.614 . 3.468 2.266 2.126 2.470 . 0 0 "[ . 1 . 2]" 1
556 1 32 GLU QB 1 33 ASP HB2 3.173 . 4.432 3.594 3.437 3.780 . 0 0 "[ . 1 . 2]" 1
557 1 32 GLU QB 1 34 PHE H 2.857 . 3.877 3.858 3.819 3.881 0.004 15 0 "[ . 1 . 2]" 1
558 1 32 GLU QB 1 36 MET H 2.821 . 3.816 3.852 3.805 3.897 0.081 3 0 "[ . 1 . 2]" 1
559 1 32 GLU HG3 1 33 ASP H 2.972 . 4.076 4.064 3.843 4.145 0.069 10 0 "[ . 1 . 2]" 1
560 1 33 ASP H 1 33 ASP HB2 2.569 . 3.394 2.502 2.340 2.681 . 0 0 "[ . 1 . 2]" 1
561 1 33 ASP H 1 33 ASP HB3 2.618 . 3.475 3.565 3.546 3.581 0.106 3 0 "[ . 1 . 2]" 1
562 1 33 ASP H 1 34 PHE H 2.638 . 3.508 2.862 2.766 2.934 . 0 0 "[ . 1 . 2]" 1
563 1 33 ASP H 1 35 LEU H 3.017 . 4.155 4.054 3.986 4.106 . 0 0 "[ . 1 . 2]" 1
564 1 33 ASP HA 1 33 ASP HB2 2.178 . 2.771 2.522 2.170 2.795 0.024 11 0 "[ . 1 . 2]" 1
565 1 33 ASP HA 1 33 ASP HB3 2.291 . 2.947 2.503 2.423 2.607 . 0 0 "[ . 1 . 2]" 1
566 1 33 ASP HA 1 34 PHE H 3.117 . 4.331 3.558 3.535 3.570 . 0 0 "[ . 1 . 2]" 1
567 1 33 ASP HA 1 35 LEU MD2 3.131 . 4.357 4.118 4.002 4.217 . 0 0 "[ . 1 . 2]" 1
568 1 33 ASP HA 1 36 MET H 2.884 . 3.924 3.471 3.264 3.612 . 0 0 "[ . 1 . 2]" 1
569 1 33 ASP HA 1 36 MET QB 2.317 . 2.988 2.896 2.614 3.025 0.037 18 0 "[ . 1 . 2]" 1
570 1 33 ASP HA 1 36 MET HG3 3.037 . 4.190 2.736 2.224 3.286 . 0 0 "[ . 1 . 2]" 1
571 1 34 PHE H 1 34 PHE HA 2.877 . 3.912 2.808 2.795 2.821 . 0 0 "[ . 1 . 2]" 1
572 1 34 PHE H 1 34 PHE QB 2.643 . 3.516 2.278 2.252 2.304 . 0 0 "[ . 1 . 2]" 1
573 1 34 PHE H 1 34 PHE QD 3.155 . 4.399 4.215 4.178 4.249 . 0 0 "[ . 1 . 2]" 1
574 1 34 PHE HA 1 34 PHE QB 2.619 . 3.476 2.319 2.299 2.347 . 0 0 "[ . 1 . 2]" 1
575 1 34 PHE HA 1 34 PHE QD 2.804 . 3.787 3.173 3.032 3.273 . 0 0 "[ . 1 . 2]" 1
576 1 34 PHE HA 1 37 LEU HB2 3.022 . 4.164 3.010 2.777 3.213 . 0 0 "[ . 1 . 2]" 1
577 1 34 PHE HA 1 37 LEU QD 2.418 . 3.149 2.819 2.607 3.090 . 0 0 "[ . 1 . 2]" 1
578 1 34 PHE HA 1 37 LEU HG 2.285 . 2.938 2.734 2.502 2.976 0.038 11 0 "[ . 1 . 2]" 1
579 1 34 PHE QB 1 34 PHE QD 3.156 . 4.401 2.153 2.145 2.165 . 0 0 "[ . 1 . 2]" 1
580 1 34 PHE QD 1 35 LEU H 2.769 . 3.728 2.767 2.622 3.049 . 0 0 "[ . 1 . 2]" 1
581 1 34 PHE QD 1 35 LEU HA 3.317 . 4.692 2.340 2.059 2.626 . 0 0 "[ . 1 . 2]" 1
582 1 34 PHE QD 1 35 LEU MD2 2.475 . 3.240 1.691 1.602 1.792 0.108 8 0 "[ . 1 . 2]" 1
583 1 34 PHE QD 1 35 LEU HG 3.302 . 4.665 3.870 3.733 4.084 . 0 0 "[ . 1 . 2]" 1
584 1 34 PHE QE 1 35 LEU HA 3.459 . 4.955 3.671 3.406 3.959 . 0 0 "[ . 1 . 2]" 1
585 1 34 PHE QE 1 38 ARG QD 2.749 . 3.694 2.230 1.932 2.618 . 0 0 "[ . 1 . 2]" 1
586 1 34 PHE QE 1 38 ARG QG 3.081 . 3.841 2.812 2.225 3.386 . 0 0 "[ . 1 . 2]" 1
587 1 34 PHE HZ 1 35 LEU MD2 3.258 . 4.585 3.458 3.257 3.838 . 0 0 "[ . 1 . 2]" 1
588 1 34 PHE HZ 1 38 ARG QD 2.966 . 4.066 4.152 3.964 4.298 0.232 8 0 "[ . 1 . 2]" 1
589 1 35 LEU H 1 35 LEU HA 2.818 . 3.811 2.764 2.730 2.782 . 0 0 "[ . 1 . 2]" 1
590 1 35 LEU H 1 35 LEU HB3 2.774 . 3.736 3.568 3.556 3.583 . 0 0 "[ . 1 . 2]" 1
591 1 35 LEU H 1 35 LEU MD2 2.419 . 3.150 1.955 1.856 2.080 . 0 0 "[ . 1 . 2]" 1
592 1 35 LEU H 1 35 LEU HG 2.460 . 3.217 2.223 2.134 2.330 . 0 0 "[ . 1 . 2]" 1
593 1 35 LEU H 1 36 MET H 2.706 . 3.622 2.737 2.658 2.785 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU H 1 37 LEU H 3.101 . 4.303 4.104 3.931 4.150 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU HA 1 35 LEU HB2 2.996 . 4.118 3.021 3.009 3.032 . 0 0 "[ . 1 . 2]" 1
596 1 35 LEU HA 1 35 LEU HB3 2.504 . 3.287 2.396 2.377 2.412 . 0 0 "[ . 1 . 2]" 1
597 1 35 LEU HA 1 35 LEU MD2 2.066 . 2.599 2.096 1.999 2.174 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU HA 1 35 LEU HG 2.757 . 3.707 3.633 3.571 3.674 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU HA 1 36 MET H 3.030 . 4.178 3.503 3.472 3.535 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU HA 1 38 ARG H 3.081 . 4.267 3.684 3.549 3.834 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU HA 1 38 ARG QB 3.115 . 4.328 3.375 2.445 4.069 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU HA 1 38 ARG QD 2.907 . 3.963 2.390 1.939 3.049 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU HA 1 38 ARG QG 3.299 . 4.659 3.016 1.906 4.361 0.033 9 0 "[ . 1 . 2]" 1
604 1 35 LEU HB3 1 35 LEU MD1 2.135 . 2.705 2.141 2.063 2.186 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU HB3 1 35 LEU QD 2.347 . 3.035 2.052 1.997 2.078 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU HB3 1 35 LEU MD2 2.176 . 2.768 2.630 2.597 2.659 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU HB3 1 36 MET H 3.000 . 4.125 3.980 3.914 4.119 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU QD 1 36 MET H 2.696 . 3.604 3.696 3.631 3.735 0.131 9 0 "[ . 1 . 2]" 1
609 1 35 LEU QD 1 36 MET HG2 3.236 . 4.545 4.090 3.503 4.545 0.000 5 0 "[ . 1 . 2]" 1
610 1 35 LEU MD2 1 35 LEU HG 2.030 . 2.545 2.088 2.077 2.103 . 0 0 "[ . 1 . 2]" 1
611 1 35 LEU MD2 1 38 ARG QD 2.457 . 3.212 2.924 2.424 3.295 0.083 8 0 "[ . 1 . 2]" 1
612 1 36 MET H 1 36 MET HA 2.632 . 3.498 2.834 2.813 2.851 . 0 0 "[ . 1 . 2]" 1
613 1 36 MET H 1 36 MET QB 2.337 . 3.020 2.507 2.410 2.573 . 0 0 "[ . 1 . 2]" 1
614 1 36 MET H 1 36 MET HG2 2.720 . 3.645 3.308 3.136 3.427 . 0 0 "[ . 1 . 2]" 1
615 1 36 MET H 1 36 MET HG3 2.617 . 3.473 2.227 2.022 2.453 . 0 0 "[ . 1 . 2]" 1
616 1 36 MET H 1 37 LEU H 2.564 . 3.386 2.814 2.734 2.910 . 0 0 "[ . 1 . 2]" 1
617 1 36 MET H 1 39 HIS H 2.899 . 3.950 3.278 2.162 4.049 0.099 19 0 "[ . 1 . 2]" 1
618 1 36 MET HA 1 36 MET QB 2.183 . 2.779 2.360 2.330 2.392 . 0 0 "[ . 1 . 2]" 1
619 1 36 MET HA 1 36 MET HG2 2.326 . 3.002 2.539 2.382 2.677 . 0 0 "[ . 1 . 2]" 1
620 1 36 MET HA 1 36 MET HG3 2.518 . 3.311 3.180 2.992 3.328 0.017 20 0 "[ . 1 . 2]" 1
621 1 36 MET HA 1 39 HIS QB 2.464 . 3.223 2.246 2.013 2.635 . 0 0 "[ . 1 . 2]" 1
622 1 36 MET QB 1 36 MET HG3 2.220 . 2.836 2.307 2.251 2.385 . 0 0 "[ . 1 . 2]" 1
623 1 37 LEU H 1 38 ARG H 2.431 . 3.169 2.520 2.411 2.596 . 0 0 "[ . 1 . 2]" 1
624 1 37 LEU H 1 40 ARG HE 2.794 . 3.770 3.882 3.707 3.984 0.214 7 0 "[ . 1 . 2]" 1
625 1 37 LEU HA 1 37 LEU HB2 2.777 . 3.741 3.016 3.012 3.020 . 0 0 "[ . 1 . 2]" 1
626 1 37 LEU HA 1 37 LEU HB3 2.593 . 3.434 2.415 2.386 2.438 . 0 0 "[ . 1 . 2]" 1
627 1 37 LEU HA 1 37 LEU QD 2.119 . 2.680 1.930 1.886 2.021 . 0 0 "[ . 1 . 2]" 1
628 1 37 LEU HA 1 37 LEU HG 3.165 . 4.417 3.390 3.337 3.459 . 0 0 "[ . 1 . 2]" 1
629 1 37 LEU HA 1 38 ARG H 3.003 . 4.130 3.545 3.508 3.575 . 0 0 "[ . 1 . 2]" 1
630 1 37 LEU HA 1 40 ARG HB2 2.558 . 3.376 3.136 2.982 3.310 . 0 0 "[ . 1 . 2]" 1
631 1 37 LEU HA 1 40 ARG HD2 3.143 . 4.378 4.221 3.920 4.443 0.065 14 0 "[ . 1 . 2]" 1
632 1 37 LEU HB2 1 37 LEU QD 2.182 . 2.777 2.333 2.320 2.356 . 0 0 "[ . 1 . 2]" 1
633 1 37 LEU HB2 1 37 LEU QD 1.970 . 2.455 2.188 2.132 2.231 . 0 0 "[ . 1 . 2]" 1
634 1 37 LEU HB2 1 38 ARG H 2.892 . 3.937 2.258 2.150 2.356 . 0 0 "[ . 1 . 2]" 1
635 1 37 LEU HB3 1 37 LEU QD 2.248 . 2.880 2.142 2.129 2.156 . 0 0 "[ . 1 . 2]" 1
636 1 37 LEU HB3 1 38 ARG H 2.930 . 4.003 3.473 3.403 3.582 . 0 0 "[ . 1 . 2]" 1
637 1 37 LEU HB3 1 50 ALA HA 2.088 . 2.633 1.956 1.850 2.001 . 0 0 "[ . 1 . 2]" 1
638 1 37 LEU HB3 1 53 PHE QD 2.439 . 3.183 2.678 2.415 2.845 . 0 0 "[ . 1 . 2]" 1
639 1 37 LEU HB3 1 50 ALA HA 3.041 . 4.197 2.294 2.030 2.441 . 0 0 "[ . 1 . 2]" 1
640 1 37 LEU HB3 1 53 PHE H 3.068 . 4.244 4.152 3.963 4.263 0.019 10 0 "[ . 1 . 2]" 1
641 1 37 LEU MD1 1 37 LEU MD2 1.809 . 2.218 2.061 2.044 2.070 . 0 0 "[ . 1 . 2]" 1
642 1 37 LEU QD 1 37 LEU HG 2.023 . 2.535 1.885 1.881 1.887 . 0 0 "[ . 1 . 2]" 1
643 1 37 LEU QD 1 40 ARG H 3.170 . 4.426 4.326 4.203 4.405 . 0 0 "[ . 1 . 2]" 1
644 1 37 LEU QD 1 53 PHE QD 2.398 . 3.117 2.138 2.034 2.336 . 0 0 "[ . 1 . 2]" 1
645 1 37 LEU QD 1 40 ARG HE 2.753 . 3.700 3.035 2.761 3.368 . 0 0 "[ . 1 . 2]" 1
646 1 37 LEU QD 1 49 ASP HA 3.169 . 3.425 3.404 3.348 3.455 0.030 10 0 "[ . 1 . 2]" 1
647 1 37 LEU QD 1 49 ASP HB2 2.726 . 3.655 2.453 2.010 3.279 . 0 0 "[ . 1 . 2]" 1
648 1 37 LEU QD 1 49 ASP HB3 2.718 . 3.099 2.444 1.853 3.412 0.313 12 0 "[ . 1 . 2]" 1
649 1 37 LEU QD 1 50 ALA H 2.742 . 3.682 2.862 2.723 3.028 . 0 0 "[ . 1 . 2]" 1
650 1 37 LEU QD 1 50 ALA HA 2.219 . 2.834 2.335 2.249 2.435 . 0 0 "[ . 1 . 2]" 1
651 1 37 LEU QD 1 50 ALA MB 2.025 . 2.538 2.708 2.661 2.773 0.235 6 0 "[ . 1 . 2]" 1
652 1 37 LEU QD 1 53 PHE H 3.037 . 4.190 3.486 3.360 3.566 . 0 0 "[ . 1 . 2]" 1
653 1 37 LEU QD 1 53 PHE QB 2.458 . 3.115 1.886 1.822 1.979 . 0 0 "[ . 1 . 2]" 1
654 1 37 LEU QD 1 53 PHE QD 2.301 . 2.963 2.163 2.054 2.374 . 0 0 "[ . 1 . 2]" 1
655 1 37 LEU HG 1 53 PHE QD 2.917 . 3.980 3.685 3.577 3.799 . 0 0 "[ . 1 . 2]" 1
656 1 38 ARG H 1 38 ARG HA 2.576 . 3.406 2.820 2.777 2.851 . 0 0 "[ . 1 . 2]" 1
657 1 38 ARG H 1 38 ARG QB 2.422 . 3.155 2.428 2.027 2.819 . 0 0 "[ . 1 . 2]" 1
658 1 38 ARG H 1 38 ARG QB 2.531 . 3.331 2.058 1.941 2.165 . 0 0 "[ . 1 . 2]" 1
659 1 38 ARG H 1 39 HIS H 2.416 . 3.146 2.571 2.436 2.688 . 0 0 "[ . 1 . 2]" 1
660 1 38 ARG H 1 39 HIS QB 3.170 . 4.426 4.231 4.020 4.431 0.005 6 0 "[ . 1 . 2]" 1
661 1 38 ARG H 1 53 PHE QD 3.089 . 4.282 4.283 4.160 4.343 0.061 10 0 "[ . 1 . 2]" 1
662 1 38 ARG HA 1 38 ARG QB 2.440 . 3.184 2.194 2.151 2.287 . 0 0 "[ . 1 . 2]" 1
663 1 38 ARG HA 1 38 ARG QB 2.510 . 3.298 1.958 1.834 2.050 . 0 0 "[ . 1 . 2]" 1
664 1 38 ARG HA 1 39 HIS H 2.939 . 4.019 2.853 2.264 3.067 . 0 0 "[ . 1 . 2]" 1
665 1 38 ARG HA 1 38 ARG QG 2.480 . 3.248 3.080 2.655 3.363 0.115 2 0 "[ . 1 . 2]" 1
666 1 38 ARG HA 1 41 ALA MB 2.302 . 2.964 2.706 2.463 3.046 0.082 20 0 "[ . 1 . 2]" 1
667 1 38 ARG HA 1 53 PHE QD 2.694 . 3.601 3.077 2.762 3.306 . 0 0 "[ . 1 . 2]" 1
668 1 38 ARG HA 1 53 PHE QE 2.942 . 4.024 2.480 2.205 2.778 . 0 0 "[ . 1 . 2]" 1
669 1 38 ARG QB 1 65 ASN HA 3.115 . 4.328 4.039 3.310 4.343 0.015 13 0 "[ . 1 . 2]" 1
670 1 38 ARG QB 1 39 HIS HD2 3.274 . 4.614 3.861 3.661 4.061 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG QB 1 42 ALA H 3.111 . 4.321 4.102 3.844 4.331 0.010 20 0 "[ . 1 . 2]" 1
672 1 38 ARG QB 1 53 PHE QD 3.195 . 4.471 4.078 3.876 4.344 . 0 0 "[ . 1 . 2]" 1
673 1 38 ARG QB 1 53 PHE QE 3.139 . 4.371 2.537 2.203 2.979 . 0 0 "[ . 1 . 2]" 1
674 1 38 ARG QB 1 53 PHE QE 3.631 . 5.279 2.533 2.202 2.967 . 0 0 "[ . 1 . 2]" 1
675 1 38 ARG QD 1 38 ARG QG 2.293 . 2.950 2.018 1.912 2.082 . 0 0 "[ . 1 . 2]" 1
676 1 38 ARG QD 1 39 HIS QB 3.026 . 4.170 4.325 3.932 4.416 0.246 4 0 "[ . 1 . 2]" 1
677 1 38 ARG QD 1 39 HIS HD2 2.952 . 4.041 3.380 3.015 3.842 . 0 0 "[ . 1 . 2]" 1
678 1 38 ARG QG 1 39 HIS H 2.874 . 3.906 2.219 1.662 2.975 0.180 13 0 "[ . 1 . 2]" 1
679 1 38 ARG QG 1 39 HIS HD2 2.899 . 3.949 3.921 3.709 4.005 0.056 4 0 "[ . 1 . 2]" 1
680 1 38 ARG QG 1 53 PHE QE 2.985 . 4.098 3.898 3.396 4.196 0.098 8 0 "[ . 1 . 2]" 1
681 1 39 HIS H 1 39 HIS HA 2.516 . 3.307 2.695 2.667 2.718 . 0 0 "[ . 1 . 2]" 1
682 1 39 HIS H 1 39 HIS QB 2.339 . 3.023 2.182 2.074 2.347 . 0 0 "[ . 1 . 2]" 1
683 1 39 HIS H 1 40 ARG H 2.624 . 3.485 3.157 3.078 3.236 . 0 0 "[ . 1 . 2]" 1
684 1 39 HIS H 1 40 ARG HG2 3.073 . 4.254 4.326 4.199 4.477 0.223 20 0 "[ . 1 . 2]" 1
685 1 39 HIS H 1 41 ALA H 2.926 . 3.996 3.951 3.855 4.072 0.076 8 0 "[ . 1 . 2]" 1
686 1 39 HIS H 1 42 ALA H 2.859 . 3.881 3.959 3.293 4.248 0.367 2 0 "[ . 1 . 2]" 1
687 1 39 HIS HA 1 39 HIS QB 2.209 . 2.819 2.518 2.482 2.534 . 0 0 "[ . 1 . 2]" 1
688 1 39 HIS HA 1 39 HIS HD2 2.774 . 3.736 2.132 2.043 2.274 . 0 0 "[ . 1 . 2]" 1
689 1 39 HIS HA 1 43 LEU H 2.503 . 3.286 2.806 2.772 2.839 . 0 0 "[ . 1 . 2]" 1
690 1 39 HIS HA 1 43 LEU MD1 2.265 . 2.906 2.952 2.795 3.073 0.167 20 0 "[ . 1 . 2]" 1
691 1 39 HIS HA 1 43 LEU HG 2.352 . 3.043 2.659 2.491 2.851 . 0 0 "[ . 1 . 2]" 1
692 1 39 HIS QB 1 39 HIS HD2 2.549 . 3.361 3.258 3.188 3.303 . 0 0 "[ . 1 . 2]" 1
693 1 39 HIS QB 1 39 HIS HE2 3.289 . 4.641 4.516 4.463 4.549 . 0 0 "[ . 1 . 2]" 1
694 1 39 HIS QB 1 40 ARG HG2 3.444 . 4.926 3.053 2.915 3.183 . 0 0 "[ . 1 . 2]" 1
695 1 39 HIS QB 1 43 LEU MD1 3.095 . 4.292 2.462 2.264 2.703 . 0 0 "[ . 1 . 2]" 1
696 1 39 HIS HD2 1 43 LEU MD1 2.567 . 3.391 3.454 3.400 3.556 0.165 13 0 "[ . 1 . 2]" 1
697 1 40 ARG H 1 40 ARG HA 2.592 . 3.432 2.806 2.781 2.835 . 0 0 "[ . 1 . 2]" 1
698 1 40 ARG H 1 40 ARG HB2 2.566 . 3.389 1.986 1.891 2.071 . 0 0 "[ . 1 . 2]" 1
699 1 40 ARG H 1 40 ARG HD2 3.065 . 4.239 4.291 4.182 4.373 0.134 8 0 "[ . 1 . 2]" 1
700 1 40 ARG H 1 40 ARG HG2 2.586 . 3.422 2.918 2.759 3.221 . 0 0 "[ . 1 . 2]" 1
701 1 40 ARG H 1 41 ALA H 2.479 . 3.247 2.709 2.558 2.860 . 0 0 "[ . 1 . 2]" 1
702 1 40 ARG H 1 45 ALA MB 2.768 . 3.726 3.363 3.259 3.453 . 0 0 "[ . 1 . 2]" 1
703 1 40 ARG HA 1 40 ARG HB2 2.344 . 3.031 2.752 2.703 2.788 . 0 0 "[ . 1 . 2]" 1
704 1 40 ARG HA 1 40 ARG HE 2.964 . 4.062 4.074 3.780 4.209 0.147 5 0 "[ . 1 . 2]" 1
705 1 40 ARG HA 1 40 ARG HB2 2.246 . 2.877 2.790 2.734 2.833 . 0 0 "[ . 1 . 2]" 1
706 1 40 ARG HA 1 40 ARG HB3 2.333 . 3.014 2.392 2.362 2.442 . 0 0 "[ . 1 . 2]" 1
707 1 40 ARG HA 1 40 ARG HD2 3.021 . 4.162 4.334 4.241 4.402 0.240 6 0 "[ . 1 . 2]" 1
708 1 40 ARG HA 1 40 ARG HD3 2.990 . 4.107 4.197 4.128 4.322 0.215 16 0 "[ . 1 . 2]" 1
709 1 40 ARG HA 1 40 ARG HG2 2.360 . 3.056 2.505 2.393 2.635 . 0 0 "[ . 1 . 2]" 1
710 1 40 ARG HA 1 41 ALA H 2.489 . 3.263 2.683 2.649 2.718 . 0 0 "[ . 1 . 2]" 1
711 1 40 ARG HA 1 43 LEU H 2.769 . 3.727 3.478 3.360 3.596 . 0 0 "[ . 1 . 2]" 1
712 1 40 ARG HA 1 43 LEU HB2 2.686 . 3.588 3.117 2.877 3.329 . 0 0 "[ . 1 . 2]" 1
713 1 40 ARG HA 1 44 GLY H 3.069 . 4.246 3.127 2.937 3.311 . 0 0 "[ . 1 . 2]" 1
714 1 40 ARG HA 1 45 ALA H 2.694 . 3.601 2.783 2.602 3.062 . 0 0 "[ . 1 . 2]" 1
715 1 40 ARG HA 1 45 ALA MB 2.513 . 3.303 2.185 1.990 2.444 . 0 0 "[ . 1 . 2]" 1
716 1 40 ARG HA 1 45 ALA MB 1.712 . 2.078 1.908 1.820 1.992 . 0 0 "[ . 1 . 2]" 1
717 1 40 ARG HB2 1 40 ARG HD2 2.558 . 3.376 2.261 2.212 2.319 . 0 0 "[ . 1 . 2]" 1
718 1 40 ARG HB2 1 45 ALA H 3.154 . 4.397 4.224 4.027 4.397 0.000 8 0 "[ . 1 . 2]" 1
719 1 40 ARG HB2 1 41 ALA H 2.635 . 3.503 2.380 2.177 2.764 . 0 0 "[ . 1 . 2]" 1
720 1 40 ARG HB2 1 50 ALA MB 1.980 . 2.470 1.879 1.806 1.997 . 0 0 "[ . 1 . 2]" 1
721 1 40 ARG HB3 1 40 ARG HD2 2.917 . 3.981 2.366 2.213 2.512 . 0 0 "[ . 1 . 2]" 1
722 1 40 ARG HB3 1 41 ALA H 2.967 . 4.067 3.592 3.423 3.911 . 0 0 "[ . 1 . 2]" 1
723 1 40 ARG HB3 1 45 ALA HA 2.885 . 3.925 4.072 4.028 4.152 0.227 6 0 "[ . 1 . 2]" 1
724 1 40 ARG HD2 1 40 ARG HE 2.960 . 4.055 2.470 2.350 2.577 . 0 0 "[ . 1 . 2]" 1
725 1 40 ARG HD2 1 45 ALA MB 2.228 . 2.848 2.101 1.962 2.219 . 0 0 "[ . 1 . 2]" 1
726 1 40 ARG HD3 1 40 ARG HG3 2.547 . 3.358 2.930 2.842 2.965 . 0 0 "[ . 1 . 2]" 1
727 1 40 ARG HD3 1 45 ALA MB 2.223 . 2.841 2.662 2.426 2.868 0.027 16 0 "[ . 1 . 2]" 1
728 1 40 ARG HE 1 40 ARG HG2 3.133 . 4.360 3.469 3.297 3.636 . 0 0 "[ . 1 . 2]" 1
729 1 40 ARG HE 1 40 ARG HG3 2.919 . 3.984 2.428 2.251 2.675 . 0 0 "[ . 1 . 2]" 1
730 1 40 ARG HE 1 50 ALA MB 2.155 . 2.735 2.344 1.962 2.552 . 0 0 "[ . 1 . 2]" 1
731 1 40 ARG HE 1 47 ASP HB3 2.334 . 3.015 2.459 2.356 2.690 . 0 0 "[ . 1 . 2]" 1
732 1 41 ALA H 1 41 ALA MB 2.153 . 2.733 2.241 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
733 1 41 ALA H 1 42 ALA H 2.543 . 3.351 2.945 2.865 3.081 . 0 0 "[ . 1 . 2]" 1
734 1 41 ALA H 1 43 LEU H 2.941 . 4.022 4.112 4.042 4.182 0.160 1 0 "[ . 1 . 2]" 1
735 1 41 ALA H 1 50 ALA MB 2.620 . 3.478 2.770 2.480 3.068 . 0 0 "[ . 1 . 2]" 1
736 1 41 ALA HA 1 41 ALA MB 1.880 . 2.322 2.127 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
737 1 41 ALA HA 1 42 ALA H 2.831 . 3.833 3.579 3.558 3.605 . 0 0 "[ . 1 . 2]" 1
738 1 41 ALA MB 1 53 PHE QE 3.405 . 4.854 3.757 3.502 4.231 . 0 0 "[ . 1 . 2]" 1
739 1 41 ALA MB 1 54 ARG H 2.804 . 3.786 3.578 3.146 3.836 0.050 7 0 "[ . 1 . 2]" 1
740 1 41 ALA MB 1 54 ARG HG3 2.374 . 3.078 3.142 3.018 3.544 0.466 6 0 "[ . 1 . 2]" 1
741 1 42 ALA H 1 42 ALA HA 2.426 . 3.162 2.767 2.721 2.875 . 0 0 "[ . 1 . 2]" 1
742 1 42 ALA H 1 42 ALA MB 2.044 . 2.566 2.196 2.175 2.250 . 0 0 "[ . 1 . 2]" 1
743 1 42 ALA H 1 43 LEU H 2.450 . 3.200 2.802 2.482 2.900 . 0 0 "[ . 1 . 2]" 1
744 1 42 ALA H 1 53 PHE QD 3.058 . 4.227 4.393 4.259 4.580 0.353 2 0 "[ . 1 . 2]" 1
745 1 42 ALA HA 1 42 ALA MB 1.921 . 2.382 2.124 2.111 2.129 . 0 0 "[ . 1 . 2]" 1
746 1 42 ALA MB 1 43 LEU HB2 2.683 . 3.583 4.054 3.959 4.217 0.634 14 4 "[ - . **1 +. 2]" 1
747 1 42 ALA MB 1 44 GLY H 2.815 . 3.805 3.721 3.661 3.811 0.006 8 0 "[ . 1 . 2]" 1
748 1 42 ALA MB 1 63 MET QG 3.237 . 4.475 3.828 3.258 4.072 . 0 0 "[ . 1 . 2]" 1
749 1 42 ALA MB 1 65 ASN HA 2.336 . 3.018 2.892 2.334 3.198 0.180 3 0 "[ . 1 . 2]" 1
750 1 43 LEU H 1 43 LEU HB2 2.322 . 2.996 2.711 2.661 2.741 . 0 0 "[ . 1 . 2]" 1
751 1 43 LEU H 1 43 LEU MD1 2.677 . 3.573 3.606 3.541 3.651 0.078 14 0 "[ . 1 . 2]" 1
752 1 43 LEU H 1 43 LEU MD2 2.648 . 3.524 2.982 2.875 3.113 . 0 0 "[ . 1 . 2]" 1
753 1 43 LEU H 1 43 LEU HG 2.262 . 2.902 2.073 1.950 2.137 . 0 0 "[ . 1 . 2]" 1
754 1 43 LEU H 1 44 GLY H 2.445 . 3.193 2.926 2.786 3.156 . 0 0 "[ . 1 . 2]" 1
755 1 43 LEU H 1 44 GLY H 2.467 . 3.228 2.863 2.724 3.069 . 0 0 "[ . 1 . 2]" 1
756 1 43 LEU HA 1 43 LEU HB2 2.416 . 3.146 3.008 3.003 3.012 . 0 0 "[ . 1 . 2]" 1
757 1 43 LEU HA 1 43 LEU HB3 2.109 . 2.665 2.354 2.342 2.369 . 0 0 "[ . 1 . 2]" 1
758 1 43 LEU HA 1 43 LEU MD2 1.789 . 2.189 2.224 2.208 2.245 0.056 9 0 "[ . 1 . 2]" 1
759 1 43 LEU QB 1 43 LEU MD1 1.868 . 2.304 2.105 2.085 2.125 . 0 0 "[ . 1 . 2]" 1
760 1 43 LEU HB2 1 43 LEU MD1 2.281 . 2.932 2.328 2.302 2.351 . 0 0 "[ . 1 . 2]" 1
761 1 43 LEU HB2 1 43 LEU HG 2.253 . 2.887 2.465 2.448 2.488 . 0 0 "[ . 1 . 2]" 1
762 1 43 LEU HB2 1 44 GLY H 2.857 . 3.878 1.894 1.818 2.010 0.018 5 0 "[ . 1 . 2]" 1
763 1 43 LEU HB2 1 45 ALA H 3.002 . 4.129 3.413 2.917 3.760 . 0 0 "[ . 1 . 2]" 1
764 1 43 LEU HB3 1 43 LEU MD2 1.813 . 2.224 2.351 2.325 2.377 0.153 16 0 "[ . 1 . 2]" 1
765 1 43 LEU MD1 1 43 LEU HG 1.860 . 2.293 2.111 2.106 2.115 . 0 0 "[ . 1 . 2]" 1
766 1 43 LEU MD2 1 43 LEU HG 1.740 . 2.118 2.112 2.107 2.115 . 0 0 "[ . 1 . 2]" 1
767 1 43 LEU MD2 1 44 GLY H 3.200 . 4.480 4.418 4.389 4.458 . 0 0 "[ . 1 . 2]" 1
768 1 44 GLY H 1 44 GLY HA2 2.419 . 3.151 2.758 2.678 2.814 . 0 0 "[ . 1 . 2]" 1
769 1 44 GLY H 1 44 GLY HA3 2.338 . 3.021 2.846 2.780 2.895 . 0 0 "[ . 1 . 2]" 1
770 1 44 GLY H 1 45 ALA MB 2.769 . 3.727 3.382 3.291 3.472 . 0 0 "[ . 1 . 2]" 1
771 1 44 GLY HA2 1 45 ALA H 2.675 . 3.570 2.960 2.731 3.274 . 0 0 "[ . 1 . 2]" 1
772 1 44 GLY HA3 1 45 ALA H 2.328 . 3.005 2.787 2.710 2.812 . 0 0 "[ . 1 . 2]" 1
773 1 45 ALA H 1 45 ALA MB 2.066 . 2.600 2.370 2.221 2.507 . 0 0 "[ . 1 . 2]" 1
774 1 45 ALA HA 1 45 ALA MB 1.782 . 2.179 2.120 2.111 2.127 . 0 0 "[ . 1 . 2]" 1
775 1 45 ALA HA 1 46 ASP H 2.060 . 2.590 2.209 2.122 2.278 . 0 0 "[ . 1 . 2]" 1
776 1 45 ALA HA 1 46 ASP QB 3.206 . 4.491 4.206 4.085 4.312 . 0 0 "[ . 1 . 2]" 1
777 1 45 ALA MB 1 46 ASP HA 2.541 . 3.348 3.378 3.263 3.522 0.174 3 0 "[ . 1 . 2]" 1
778 1 45 ALA MB 1 47 ASP H 2.153 . 2.732 2.708 2.635 2.759 0.027 15 0 "[ . 1 . 2]" 1
779 1 46 ASP H 1 46 ASP HA 2.675 . 3.569 2.939 2.930 2.946 . 0 0 "[ . 1 . 2]" 1
780 1 46 ASP H 1 46 ASP QB 2.321 . 2.994 2.583 2.418 2.915 . 0 0 "[ . 1 . 2]" 1
781 1 46 ASP H 1 47 ASP H 2.193 . 2.794 2.904 2.783 2.994 0.200 13 0 "[ . 1 . 2]" 1
782 1 46 ASP HA 1 46 ASP QB 2.130 . 2.697 2.362 2.171 2.447 . 0 0 "[ . 1 . 2]" 1
783 1 46 ASP HA 1 47 ASP H 2.602 . 3.448 2.758 2.634 2.845 . 0 0 "[ . 1 . 2]" 1
784 1 46 ASP HA 1 51 VAL MG1 1.976 . 2.464 2.274 2.065 2.386 . 0 0 "[ . 1 . 2]" 1
785 1 46 ASP QB 1 51 VAL HB 3.192 . 4.466 4.344 4.085 4.440 . 0 0 "[ . 1 . 2]" 1
786 1 46 ASP QB 1 51 VAL MG1 2.691 . 3.596 2.414 2.275 2.527 . 0 0 "[ . 1 . 2]" 1
787 1 47 ASP H 1 47 ASP HA 2.390 . 3.104 2.850 2.826 2.878 . 0 0 "[ . 1 . 2]" 1
788 1 47 ASP H 1 47 ASP HB2 2.478 . 3.246 2.583 2.346 2.836 . 0 0 "[ . 1 . 2]" 1
789 1 47 ASP H 1 47 ASP HB3 2.448 . 3.197 2.577 2.336 2.861 . 0 0 "[ . 1 . 2]" 1
790 1 47 ASP H 1 51 VAL MG1 2.749 . 3.694 3.579 3.426 3.725 0.031 9 0 "[ . 1 . 2]" 1
791 1 47 ASP HA 1 47 ASP HB3 2.310 . 2.977 3.015 2.996 3.025 0.048 20 0 "[ . 1 . 2]" 1
792 1 47 ASP HA 1 48 ASN H 2.585 . 3.420 2.195 2.127 2.674 . 0 0 "[ . 1 . 2]" 1
793 1 47 ASP HB3 1 50 ALA H 2.971 . 4.074 3.281 3.180 3.455 . 0 0 "[ . 1 . 2]" 1
794 1 47 ASP HB3 1 50 ALA MB 1.959 . 2.439 2.216 2.143 2.275 . 0 0 "[ . 1 . 2]" 1
795 1 48 ASN H 1 48 ASN HA 2.854 . 3.872 2.662 2.609 2.893 . 0 0 "[ . 1 . 2]" 1
796 1 48 ASN H 1 48 ASN HB2 2.574 . 3.402 3.591 3.571 3.713 0.311 19 0 "[ . 1 . 2]" 1
797 1 48 ASN H 1 49 ASP H 2.849 . 3.863 3.163 2.265 3.353 . 0 0 "[ . 1 . 2]" 1
798 1 48 ASN HA 1 48 ASN HB2 2.191 . 2.791 2.419 2.298 2.469 . 0 0 "[ . 1 . 2]" 1
799 1 48 ASN HA 1 48 ASN HB3 2.141 . 2.714 2.389 2.347 2.491 . 0 0 "[ . 1 . 2]" 1
800 1 48 ASN HA 1 48 ASN QD 2.758 . 3.709 3.448 3.284 3.564 . 0 0 "[ . 1 . 2]" 1
801 1 48 ASN HA 1 50 ALA H 3.111 . 4.320 4.333 3.981 4.420 0.100 14 0 "[ . 1 . 2]" 1
802 1 48 ASN HA 1 51 VAL H 2.596 . 3.438 2.854 2.753 2.914 . 0 0 "[ . 1 . 2]" 1
803 1 48 ASN HA 1 51 VAL MG1 2.114 . 2.673 2.384 2.164 2.680 0.007 19 0 "[ . 1 . 2]" 1
804 1 48 ASN HA 1 51 VAL QG 2.095 . 2.644 1.793 1.733 1.857 . 0 0 "[ . 1 . 2]" 1
805 1 48 ASN HA 1 51 VAL MG2 2.235 . 2.859 1.861 1.774 2.011 . 0 0 "[ . 1 . 2]" 1
806 1 48 ASN HB2 1 48 ASN QD 2.600 . 3.445 2.243 2.121 3.315 . 0 0 "[ . 1 . 2]" 1
807 1 48 ASN HB2 1 51 VAL H 2.795 . 3.771 4.080 4.015 4.122 0.351 17 0 "[ . 1 . 2]" 1
808 1 48 ASN HB2 1 51 VAL MG2 2.661 . 3.546 3.075 2.869 3.244 . 0 0 "[ . 1 . 2]" 1
809 1 48 ASN HB2 1 52 LYS QD 3.008 . 4.139 2.736 2.395 3.651 . 0 0 "[ . 1 . 2]" 1
810 1 48 ASN HB3 1 48 ASN QD 2.903 . 3.956 3.238 2.792 3.288 . 0 0 "[ . 1 . 2]" 1
811 1 48 ASN HB3 1 51 VAL QG 2.561 . 3.381 3.357 3.205 3.564 0.183 19 0 "[ . 1 . 2]" 1
812 1 48 ASN HB3 1 51 VAL MG2 2.721 . 3.646 3.534 3.385 3.704 0.058 19 0 "[ . 1 . 2]" 1
813 1 48 ASN QD 1 49 ASP HA 3.037 . 4.190 3.132 2.917 3.713 . 0 0 "[ . 1 . 2]" 1
814 1 48 ASN QD 1 52 LYS QD 3.142 . 3.963 2.525 2.145 3.667 . 0 0 "[ . 1 . 2]" 1
815 1 48 ASN QD 1 52 LYS QE 3.183 . 4.450 3.497 2.309 4.324 . 0 0 "[ . 1 . 2]" 1
816 1 49 ASP H 1 49 ASP HA 2.430 . 3.168 2.842 2.824 2.858 . 0 0 "[ . 1 . 2]" 1
817 1 49 ASP H 1 50 ALA H 2.306 . 2.971 2.495 2.429 2.559 . 0 0 "[ . 1 . 2]" 1
818 1 49 ASP HA 1 49 ASP HB3 2.164 . 2.749 2.518 2.333 2.903 0.154 9 0 "[ . 1 . 2]" 1
819 1 49 ASP HA 1 50 ALA H 2.868 . 3.896 3.433 3.407 3.459 . 0 0 "[ . 1 . 2]" 1
820 1 49 ASP HA 1 51 VAL H 2.786 . 3.756 3.409 3.248 3.525 . 0 0 "[ . 1 . 2]" 1
821 1 49 ASP HA 1 52 LYS QD 2.424 . 3.158 2.625 1.913 3.187 0.029 10 0 "[ . 1 . 2]" 1
822 1 49 ASP HA 1 52 LYS HG3 3.086 . 4.277 4.184 3.722 4.333 0.056 15 0 "[ . 1 . 2]" 1
823 1 49 ASP HB3 1 50 ALA H 2.638 . 3.508 3.562 2.632 4.032 0.524 12 2 "[ . - 1 + . 2]" 1
824 1 50 ALA H 1 50 ALA HA 2.620 . 3.478 2.834 2.809 2.871 . 0 0 "[ . 1 . 2]" 1
825 1 50 ALA H 1 50 ALA MB 2.172 . 2.761 2.250 2.226 2.267 . 0 0 "[ . 1 . 2]" 1
826 1 50 ALA H 1 51 VAL H 2.441 . 3.186 2.656 2.539 2.721 . 0 0 "[ . 1 . 2]" 1
827 1 50 ALA H 1 51 VAL QG 2.695 . 3.603 3.622 3.514 3.677 0.074 7 0 "[ . 1 . 2]" 1
828 1 50 ALA HA 1 50 ALA MB 2.026 . 2.539 2.113 2.108 2.118 . 0 0 "[ . 1 . 2]" 1
829 1 50 ALA HA 1 51 VAL H 2.975 . 4.082 3.430 3.415 3.445 . 0 0 "[ . 1 . 2]" 1
830 1 50 ALA HA 1 53 PHE H 3.040 . 4.195 3.398 3.305 3.533 . 0 0 "[ . 1 . 2]" 1
831 1 50 ALA HA 1 53 PHE QB 2.624 . 3.484 2.330 2.220 2.419 . 0 0 "[ . 1 . 2]" 1
832 1 50 ALA HA 1 53 PHE QD 2.912 . 3.972 3.989 3.911 4.058 0.086 11 0 "[ . 1 . 2]" 1
833 1 50 ALA MB 1 51 VAL H 2.494 . 3.271 2.729 2.589 2.811 . 0 0 "[ . 1 . 2]" 1
834 1 50 ALA MB 1 51 VAL HA 2.690 . 3.595 3.770 3.745 3.795 0.200 2 0 "[ . 1 . 2]" 1
835 1 50 ALA MB 1 51 VAL MG1 2.332 . 3.012 3.035 2.977 3.078 0.066 6 0 "[ . 1 . 2]" 1
836 1 51 VAL H 1 51 VAL HA 2.539 . 3.345 2.751 2.741 2.761 . 0 0 "[ . 1 . 2]" 1
837 1 51 VAL H 1 51 VAL MG1 2.067 . 2.601 1.815 1.782 1.913 . 0 0 "[ . 1 . 2]" 1
838 1 51 VAL HA 1 51 VAL HB 2.579 . 3.410 2.328 2.288 2.377 . 0 0 "[ . 1 . 2]" 1
839 1 51 VAL HA 1 54 ARG H 2.951 . 4.039 3.179 3.030 3.335 . 0 0 "[ . 1 . 2]" 1
840 1 51 VAL HA 1 54 ARG HA 2.952 . 4.041 3.760 3.509 4.135 0.094 6 0 "[ . 1 . 2]" 1
841 1 51 VAL HA 1 54 ARG HB2 2.731 . 3.664 2.972 2.040 3.148 . 0 0 "[ . 1 . 2]" 1
842 1 51 VAL HB 1 51 VAL MG1 1.818 . 2.231 2.114 2.111 2.118 . 0 0 "[ . 1 . 2]" 1
843 1 51 VAL HB 1 51 VAL QG 1.878 . 2.319 1.879 1.876 1.884 . 0 0 "[ . 1 . 2]" 1
844 1 51 VAL HB 1 51 VAL MG2 1.836 . 2.257 2.105 2.099 2.116 . 0 0 "[ . 1 . 2]" 1
845 1 51 VAL HB 1 52 LYS HG3 3.205 . 4.489 4.681 4.588 4.769 0.280 9 0 "[ . 1 . 2]" 1
846 1 51 VAL MG2 1 52 LYS HA 2.596 . 3.438 3.124 3.018 3.190 . 0 0 "[ . 1 . 2]" 1
847 1 51 VAL MG2 1 52 LYS HG2 2.546 . 3.356 3.379 3.251 3.443 0.087 19 0 "[ . 1 . 2]" 1
848 1 51 VAL MG2 1 52 LYS HG3 2.410 . 3.136 2.148 2.092 2.208 . 0 0 "[ . 1 . 2]" 1
849 1 51 VAL MG2 1 54 ARG HD2 3.178 . 4.441 4.595 4.054 4.699 0.258 19 0 "[ . 1 . 2]" 1
850 1 52 LYS H 1 52 LYS HA 2.700 . 3.611 2.831 2.811 2.848 . 0 0 "[ . 1 . 2]" 1
851 1 52 LYS H 1 52 LYS HB2 2.755 . 3.704 2.419 2.348 2.487 . 0 0 "[ . 1 . 2]" 1
852 1 52 LYS H 1 52 LYS HB3 2.647 . 3.523 3.539 3.523 3.583 0.060 10 0 "[ . 1 . 2]" 1
853 1 52 LYS H 1 52 LYS QE 2.824 . 3.821 4.021 3.891 4.083 0.262 14 0 "[ . 1 . 2]" 1
854 1 52 LYS H 1 52 LYS HG2 2.713 . 3.633 3.587 3.487 3.651 0.018 20 0 "[ . 1 . 2]" 1
855 1 52 LYS H 1 52 LYS HG3 2.456 . 3.210 2.129 1.987 2.227 . 0 0 "[ . 1 . 2]" 1
856 1 52 LYS H 1 53 PHE H 2.504 . 3.288 2.541 2.473 2.593 . 0 0 "[ . 1 . 2]" 1
857 1 52 LYS HA 1 52 LYS HB3 2.392 . 3.107 2.467 2.440 2.489 . 0 0 "[ . 1 . 2]" 1
858 1 52 LYS HA 1 52 LYS HG2 2.293 . 2.950 2.756 2.577 2.863 . 0 0 "[ . 1 . 2]" 1
859 1 52 LYS HA 1 52 LYS HG3 2.171 . 2.760 2.770 2.717 2.837 0.077 10 0 "[ . 1 . 2]" 1
860 1 52 LYS HA 1 53 PHE H 3.024 . 4.167 3.493 3.450 3.530 . 0 0 "[ . 1 . 2]" 1
861 1 52 LYS HB2 1 53 PHE H 3.051 . 4.214 2.785 2.572 2.981 . 0 0 "[ . 1 . 2]" 1
862 1 52 LYS HB3 1 52 LYS QE 2.693 . 3.599 2.464 2.099 4.047 0.448 10 0 "[ . 1 . 2]" 1
863 1 52 LYS HB3 1 52 LYS HG2 2.485 . 3.257 2.311 2.283 2.354 . 0 0 "[ . 1 . 2]" 1
864 1 52 LYS HB3 1 52 LYS HG3 2.426 . 3.162 2.985 2.973 2.999 . 0 0 "[ . 1 . 2]" 1
865 1 52 LYS HB3 1 53 PHE H 2.995 . 4.116 3.820 3.710 3.958 . 0 0 "[ . 1 . 2]" 1
866 1 52 LYS QE 1 52 LYS HG2 2.548 . 3.359 2.778 2.411 3.062 . 0 0 "[ . 1 . 2]" 1
867 1 52 LYS QE 1 52 LYS HG3 2.523 . 3.318 3.177 2.279 3.388 0.070 2 0 "[ . 1 . 2]" 1
868 1 53 PHE H 1 53 PHE HA 2.699 . 3.610 2.815 2.793 2.847 . 0 0 "[ . 1 . 2]" 1
869 1 53 PHE H 1 53 PHE QB 2.639 . 3.509 2.246 2.230 2.266 . 0 0 "[ . 1 . 2]" 1
870 1 53 PHE H 1 53 PHE QD 2.992 . 4.111 4.173 4.161 4.190 0.079 20 0 "[ . 1 . 2]" 1
871 1 53 PHE H 1 54 ARG H 2.748 . 3.692 2.721 2.593 2.844 . 0 0 "[ . 1 . 2]" 1
872 1 53 PHE H 1 55 SER H 3.114 . 4.326 4.365 4.321 4.435 0.109 18 0 "[ . 1 . 2]" 1
873 1 53 PHE HA 1 53 PHE QD 2.506 . 3.291 2.857 2.672 2.965 . 0 0 "[ . 1 . 2]" 1
874 1 53 PHE HA 1 54 ARG H 2.870 . 3.900 3.543 3.525 3.576 . 0 0 "[ . 1 . 2]" 1
875 1 53 PHE HA 1 57 TRP H 2.979 . 4.088 3.696 3.627 3.873 . 0 0 "[ . 1 . 2]" 1
876 1 53 PHE HA 1 56 TRP HB3 3.251 . 4.572 3.200 3.009 3.634 . 0 0 "[ . 1 . 2]" 1
877 1 53 PHE QB 1 53 PHE QD 2.579 . 3.410 2.123 2.117 2.128 . 0 0 "[ . 1 . 2]" 1
878 1 53 PHE QB 1 54 ARG H 2.761 . 3.714 2.156 2.060 2.231 . 0 0 "[ . 1 . 2]" 1
879 1 53 PHE QB 1 56 TRP H 2.935 . 4.012 3.709 3.608 3.774 . 0 0 "[ . 1 . 2]" 1
880 1 53 PHE QD 1 54 ARG HA 2.807 . 3.792 3.046 2.897 3.290 . 0 0 "[ . 1 . 2]" 1
881 1 53 PHE QD 1 54 ARG HB2 3.147 . 4.385 3.644 3.423 4.575 0.190 6 0 "[ . 1 . 2]" 1
882 1 53 PHE QD 1 56 TRP HE3 2.925 . 3.995 3.619 3.487 3.802 . 0 0 "[ . 1 . 2]" 1
883 1 53 PHE QD 1 56 TRP HZ3 3.006 . 4.136 3.061 2.449 3.239 . 0 0 "[ . 1 . 2]" 1
884 1 53 PHE QD 1 57 TRP QB 3.478 . 4.742 3.407 3.339 3.462 . 0 0 "[ . 1 . 2]" 1
885 1 53 PHE QD 1 57 TRP HD1 3.034 . 4.185 4.309 4.262 4.393 0.208 20 0 "[ . 1 . 2]" 1
886 1 53 PHE QE 1 57 TRP QB 2.925 . 3.994 2.397 2.365 2.420 . 0 0 "[ . 1 . 2]" 1
887 1 54 ARG H 1 54 ARG HA 2.543 . 3.351 2.724 2.698 2.783 . 0 0 "[ . 1 . 2]" 1
888 1 54 ARG H 1 54 ARG HB3 2.625 . 3.487 2.362 2.260 2.775 . 0 0 "[ . 1 . 2]" 1
889 1 54 ARG H 1 55 SER H 2.417 . 3.148 3.073 2.819 3.168 0.020 2 0 "[ . 1 . 2]" 1
890 1 54 ARG HA 1 54 ARG HB2 2.323 . 2.997 2.381 2.307 2.510 . 0 0 "[ . 1 . 2]" 1
891 1 54 ARG HA 1 54 ARG HB3 2.592 . 3.432 2.972 2.259 3.022 . 0 0 "[ . 1 . 2]" 1
892 1 54 ARG HA 1 54 ARG HD2 3.081 . 4.267 4.309 3.967 4.493 0.226 20 0 "[ . 1 . 2]" 1
893 1 54 ARG HA 1 54 ARG HD3 2.990 . 4.107 3.895 3.609 4.291 0.184 10 0 "[ . 1 . 2]" 1
894 1 54 ARG HA 1 54 ARG HG2 2.611 . 3.463 2.732 2.573 4.054 0.591 6 1 "[ .+ 1 . 2]" 1
895 1 54 ARG HA 1 54 ARG HG3 2.844 . 3.855 3.687 3.517 3.755 . 0 0 "[ . 1 . 2]" 1
896 1 54 ARG HA 1 57 TRP H 2.853 . 3.871 3.202 2.838 3.267 . 0 0 "[ . 1 . 2]" 1
897 1 54 ARG HA 1 57 TRP QB 3.101 . 3.520 2.967 2.405 3.046 . 0 0 "[ . 1 . 2]" 1
898 1 54 ARG HA 1 57 TRP QB 2.764 . 3.719 2.834 2.385 2.927 . 0 0 "[ . 1 . 2]" 1
899 1 54 ARG HA 1 57 TRP HD1 3.194 . 4.469 4.483 4.181 4.573 0.104 20 0 "[ . 1 . 2]" 1
900 1 54 ARG HA 1 58 ASN H 2.844 . 3.855 3.601 2.785 3.871 0.016 13 0 "[ . 1 . 2]" 1
901 1 54 ARG HB2 1 54 ARG HD2 2.933 . 4.008 3.423 3.006 3.525 . 0 0 "[ . 1 . 2]" 1
902 1 54 ARG HB2 1 55 SER H 2.684 . 3.585 3.651 3.263 3.737 0.152 20 0 "[ . 1 . 2]" 1
903 1 54 ARG HB3 1 54 ARG HE 3.327 . 4.711 4.145 3.130 4.560 . 0 0 "[ . 1 . 2]" 1
904 1 54 ARG HB3 1 55 SER H 2.649 . 3.526 2.293 2.130 3.911 0.385 6 0 "[ . 1 . 2]" 1
905 1 54 ARG HD2 1 54 ARG HG2 2.814 . 3.804 2.976 2.778 3.016 . 0 0 "[ . 1 . 2]" 1
906 1 54 ARG HD2 1 54 ARG HG3 2.897 . 3.946 2.613 2.281 2.896 . 0 0 "[ . 1 . 2]" 1
907 1 54 ARG HD2 1 55 SER H 2.966 . 4.065 2.361 1.768 2.826 0.099 6 0 "[ . 1 . 2]" 1
908 1 54 ARG HD2 1 55 SER HA 2.428 . 3.165 3.297 2.913 4.004 0.839 20 1 "[ . 1 . +]" 1
909 1 54 ARG HD3 1 54 ARG HG2 2.775 . 3.738 2.326 2.209 2.616 . 0 0 "[ . 1 . 2]" 1
910 1 54 ARG HD3 1 54 ARG HG3 2.721 . 3.646 2.973 2.770 3.015 . 0 0 "[ . 1 . 2]" 1
911 1 54 ARG HD3 1 55 SER H 2.953 . 4.043 2.681 2.058 3.490 . 0 0 "[ . 1 . 2]" 1
912 1 54 ARG HD3 1 55 SER HA 2.842 . 3.852 2.417 2.119 3.817 . 0 0 "[ . 1 . 2]" 1
913 1 54 ARG HE 1 55 SER H 3.358 . 4.767 4.839 4.418 4.963 0.196 14 0 "[ . 1 . 2]" 1
914 1 54 ARG HG3 1 58 ASN HD21 3.084 . 4.273 4.046 3.708 4.614 0.341 6 0 "[ . 1 . 2]" 1
915 1 54 ARG HG3 1 58 ASN HD22 3.056 . 4.224 4.115 3.750 4.918 0.694 6 1 "[ .+ 1 . 2]" 1
916 1 55 SER H 1 55 SER HA 2.301 . 2.963 2.670 2.643 2.699 . 0 0 "[ . 1 . 2]" 1
917 1 55 SER H 1 55 SER QB 2.017 . 2.526 2.448 2.218 2.600 0.074 5 0 "[ . 1 . 2]" 1
918 1 55 SER H 1 56 TRP H 2.454 . 3.207 3.140 3.033 3.238 0.031 3 0 "[ . 1 . 2]" 1
919 1 55 SER H 1 56 TRP HE3 3.135 . 4.363 4.331 4.053 4.414 0.051 8 0 "[ . 1 . 2]" 1
920 1 56 TRP H 1 57 TRP QB 3.050 . 4.213 3.712 3.329 3.803 . 0 0 "[ . 1 . 2]" 1
921 1 56 TRP H 1 56 TRP HA 2.059 . 2.589 2.181 2.171 2.193 . 0 0 "[ . 1 . 2]" 1
922 1 56 TRP H 1 56 TRP HB2 2.649 . 3.526 2.942 2.842 3.075 . 0 0 "[ . 1 . 2]" 1
923 1 56 TRP H 1 56 TRP HB3 2.601 . 3.447 2.184 2.144 2.251 . 0 0 "[ . 1 . 2]" 1
924 1 56 TRP H 1 57 TRP H 2.677 . 3.573 2.597 2.421 2.780 . 0 0 "[ . 1 . 2]" 1
925 1 56 TRP HA 1 56 TRP HB2 2.408 . 3.133 2.296 2.266 2.319 . 0 0 "[ . 1 . 2]" 1
926 1 56 TRP HA 1 56 TRP HB3 2.526 . 3.324 2.973 2.950 2.987 . 0 0 "[ . 1 . 2]" 1
927 1 56 TRP HA 1 56 TRP HD1 2.503 . 3.286 3.321 3.225 3.400 0.114 6 0 "[ . 1 . 2]" 1
928 1 56 TRP HA 1 59 SER H 2.828 . 3.828 3.863 3.762 3.933 0.105 6 0 "[ . 1 . 2]" 1
929 1 56 TRP HB2 1 56 TRP HD1 2.912 . 3.972 2.737 2.690 2.780 . 0 0 "[ . 1 . 2]" 1
930 1 56 TRP HB2 1 56 TRP HE3 3.009 . 4.141 3.963 3.932 3.992 . 0 0 "[ . 1 . 2]" 1
931 1 56 TRP HB2 1 57 TRP H 3.037 . 4.190 4.039 3.957 4.143 . 0 0 "[ . 1 . 2]" 1
932 1 56 TRP HB3 1 56 TRP HD1 2.991 . 4.109 3.851 3.823 3.875 . 0 0 "[ . 1 . 2]" 1
933 1 56 TRP HB3 1 56 TRP HE3 2.918 . 3.982 2.399 2.363 2.435 . 0 0 "[ . 1 . 2]" 1
934 1 56 TRP HB3 1 57 TRP H 3.181 . 4.446 2.747 2.614 2.903 . 0 0 "[ . 1 . 2]" 1
935 1 56 TRP HB3 1 57 TRP HA 3.385 . 4.817 4.614 4.510 4.712 . 0 0 "[ . 1 . 2]" 1
936 1 56 TRP HD1 1 60 ARG QG 3.299 . 4.659 4.103 3.498 4.342 . 0 0 "[ . 1 . 2]" 1
937 1 56 TRP HE3 1 57 TRP H 2.914 . 3.975 2.451 2.341 2.601 . 0 0 "[ . 1 . 2]" 1
938 1 56 TRP HE3 1 57 TRP HA 2.955 . 4.047 2.159 2.082 2.522 . 0 0 "[ . 1 . 2]" 1
939 1 56 TRP HE3 1 57 TRP QB 3.034 . 4.185 2.179 2.099 2.565 . 0 0 "[ . 1 . 2]" 1
940 1 56 TRP HE3 1 57 TRP HE3 2.947 . 4.033 3.854 3.747 3.915 . 0 0 "[ . 1 . 2]" 1
941 1 56 TRP HH2 1 60 ARG QD 3.195 . 4.471 4.084 3.924 4.193 . 0 0 "[ . 1 . 2]" 1
942 1 56 TRP HZ2 1 57 TRP HZ3 2.903 . 3.957 3.180 3.078 3.259 . 0 0 "[ . 1 . 2]" 1
943 1 56 TRP HZ2 1 60 ARG QD 3.089 . 4.282 3.237 2.876 3.404 . 0 0 "[ . 1 . 2]" 1
944 1 56 TRP HZ3 1 60 ARG HD2 3.148 . 4.387 4.516 4.480 4.610 0.223 15 0 "[ . 1 . 2]" 1
945 1 56 TRP HZ3 1 57 TRP QB 3.335 . 4.725 2.469 2.379 2.822 . 0 0 "[ . 1 . 2]" 1
946 1 56 TRP HZ3 1 57 TRP HE3 2.858 . 3.879 3.237 2.861 3.334 . 0 0 "[ . 1 . 2]" 1
947 1 57 TRP H 1 57 TRP HA 2.673 . 3.566 2.144 2.118 2.176 . 0 0 "[ . 1 . 2]" 1
948 1 57 TRP H 1 57 TRP QB 2.821 . 3.815 2.217 2.186 2.251 . 0 0 "[ . 1 . 2]" 1
949 1 57 TRP H 1 58 ASN H 2.672 . 3.564 2.549 2.445 2.860 . 0 0 "[ . 1 . 2]" 1
950 1 57 TRP H 1 59 SER H 2.999 . 4.123 4.031 3.661 4.136 0.013 1 0 "[ . 1 . 2]" 1
951 1 57 TRP HA 1 57 TRP QB 2.563 . 3.384 2.412 2.392 2.433 . 0 0 "[ . 1 . 2]" 1
952 1 57 TRP HA 1 57 TRP HE3 2.842 . 3.851 2.129 1.979 2.557 . 0 0 "[ . 1 . 2]" 1
953 1 57 TRP HA 1 59 SER H 2.943 . 4.026 3.768 3.568 3.860 . 0 0 "[ . 1 . 2]" 1
954 1 57 TRP HA 1 60 ARG HB2 3.277 . 4.620 4.680 4.390 4.776 0.156 8 0 "[ . 1 . 2]" 1
955 1 57 TRP HA 1 60 ARG QD 2.845 . 3.857 2.283 2.156 2.499 . 0 0 "[ . 1 . 2]" 1
956 1 57 TRP HA 1 60 ARG QG 2.866 . 3.892 2.270 2.151 2.377 . 0 0 "[ . 1 . 2]" 1
957 1 57 TRP QB 1 57 TRP HD1 2.653 . 3.489 2.466 2.437 2.491 . 0 0 "[ . 1 . 2]" 1
958 1 57 TRP QB 1 57 TRP HE3 2.964 . 4.062 3.036 2.828 3.123 . 0 0 "[ . 1 . 2]" 1
959 1 57 TRP QB 1 58 ASN H 2.598 . 3.441 2.903 2.048 3.046 . 0 0 "[ . 1 . 2]" 1
960 1 57 TRP QB 1 63 MET QG 3.538 . 5.102 4.037 3.527 4.748 . 0 0 "[ . 1 . 2]" 1
961 1 57 TRP HD1 1 61 THR MG 2.973 . 4.078 4.149 4.085 4.256 0.178 6 0 "[ . 1 . 2]" 1
962 1 57 TRP HD1 1 58 ASN HA 2.870 . 3.899 3.917 3.634 4.072 0.173 20 0 "[ . 1 . 2]" 1
963 1 57 TRP HD1 1 61 THR MG 3.351 . 4.755 4.603 4.398 4.849 0.094 2 0 "[ . 1 . 2]" 1
964 1 57 TRP HD1 1 63 MET HB3 3.172 . 4.429 2.613 1.956 3.779 . 0 0 "[ . 1 . 2]" 1
965 1 57 TRP HE1 1 61 THR MG 3.009 . 4.140 3.202 2.905 3.474 . 0 0 "[ . 1 . 2]" 1
966 1 57 TRP HE3 1 60 ARG HD2 3.232 . 4.538 2.316 1.889 3.920 0.037 17 0 "[ . 1 . 2]" 1
967 1 57 TRP HE3 1 60 ARG QG 3.542 . 5.110 3.152 2.681 3.794 . 0 0 "[ . 1 . 2]" 1
968 1 57 TRP HZ2 1 61 THR HB 3.454 . 4.945 3.841 3.368 4.157 . 0 0 "[ . 1 . 2]" 1
969 1 57 TRP HZ2 1 61 THR MG 2.937 . 4.016 2.453 2.211 2.634 . 0 0 "[ . 1 . 2]" 1
970 1 57 TRP HZ2 1 63 MET HA 2.913 . 3.974 3.732 3.337 4.035 0.061 8 0 "[ . 1 . 2]" 1
971 1 57 TRP HZ3 1 60 ARG QD 3.468 . 4.971 2.640 2.299 3.508 . 0 0 "[ . 1 . 2]" 1
972 1 58 ASN H 1 58 ASN HA 2.333 . 3.013 2.903 2.678 2.927 . 0 0 "[ . 1 . 2]" 1
973 1 58 ASN H 1 58 ASN QB 2.220 . 2.836 2.260 2.209 2.364 . 0 0 "[ . 1 . 2]" 1
974 1 58 ASN H 1 58 ASN HD21 2.753 . 3.700 2.698 2.117 3.693 . 0 0 "[ . 1 . 2]" 1
975 1 58 ASN H 1 58 ASN HD22 3.099 . 4.299 4.181 3.414 4.472 0.173 6 0 "[ . 1 . 2]" 1
976 1 58 ASN H 1 59 SER H 2.343 . 3.029 2.388 2.239 3.036 0.007 8 0 "[ . 1 . 2]" 1
977 1 58 ASN HA 1 58 ASN QB 2.038 . 2.557 2.452 2.424 2.478 . 0 0 "[ . 1 . 2]" 1
978 1 58 ASN HA 1 58 ASN HD21 2.998 . 4.122 3.555 3.461 4.214 0.092 6 0 "[ . 1 . 2]" 1
979 1 58 ASN HA 1 58 ASN HD22 2.871 . 3.902 4.018 3.962 4.302 0.400 6 0 "[ . 1 . 2]" 1
980 1 58 ASN HA 1 59 SER H 2.129 . 2.696 2.717 2.699 2.737 0.041 8 0 "[ . 1 . 2]" 1
981 1 58 ASN HA 1 60 ARG H 2.637 . 3.506 3.022 2.972 3.138 . 0 0 "[ . 1 . 2]" 1
982 1 58 ASN HA 1 62 LYS QD 2.950 . 4.038 3.640 3.503 3.774 . 0 0 "[ . 1 . 2]" 1
983 1 58 ASN HA 1 61 THR HB 2.838 . 3.845 3.541 3.361 3.877 0.032 2 0 "[ . 1 . 2]" 1
984 1 58 ASN HA 1 62 LYS HB2 2.934 . 4.010 3.982 3.854 4.082 0.072 4 0 "[ . 1 . 2]" 1
985 1 58 ASN HA 1 62 LYS HB3 2.946 . 4.031 3.566 3.372 3.881 . 0 0 "[ . 1 . 2]" 1
986 1 58 ASN HA 1 62 LYS QE 2.867 . 3.894 3.815 3.520 3.978 0.084 2 0 "[ . 1 . 2]" 1
987 1 58 ASN HA 1 62 LYS QG 2.568 . 3.393 1.903 1.737 2.178 0.006 20 0 "[ . 1 . 2]" 1
988 1 58 ASN QB 1 58 ASN HD21 2.580 . 3.412 2.216 2.122 2.245 . 0 0 "[ . 1 . 2]" 1
989 1 58 ASN QB 1 58 ASN HD22 2.456 . 3.210 3.278 3.181 3.293 0.083 17 0 "[ . 1 . 2]" 1
990 1 58 ASN QB 1 59 SER H 2.440 . 3.184 3.372 3.289 3.406 0.222 2 0 "[ . 1 . 2]" 1
991 1 58 ASN QB 1 59 SER HA 2.867 . 3.895 3.950 3.843 3.992 0.097 3 0 "[ . 1 . 2]" 1
992 1 58 ASN QB 1 62 LYS HA 2.727 . 3.657 3.259 3.014 3.471 . 0 0 "[ . 1 . 2]" 1
993 1 59 SER H 1 59 SER QB 2.149 . 2.726 2.458 2.354 2.510 . 0 0 "[ . 1 . 2]" 1
994 1 59 SER H 1 60 ARG H 2.215 . 2.828 2.082 1.958 2.200 . 0 0 "[ . 1 . 2]" 1
995 1 59 SER H 1 60 ARG QG 2.968 . 4.069 2.872 2.745 3.176 . 0 0 "[ . 1 . 2]" 1
996 1 59 SER H 1 61 THR H 2.960 . 4.055 3.977 3.788 4.089 0.034 6 0 "[ . 1 . 2]" 1
997 1 59 SER HA 1 59 SER QB 1.888 . 2.334 2.370 2.347 2.391 0.057 12 0 "[ . 1 . 2]" 1
998 1 59 SER HA 1 60 ARG HA 3.233 . 4.540 4.562 4.543 4.587 0.047 1 0 "[ . 1 . 2]" 1
999 1 59 SER HA 1 60 ARG QG 3.511 . 5.052 4.646 4.452 4.838 . 0 0 "[ . 1 . 2]" 1
1000 1 59 SER HA 1 62 LYS QD 2.967 . 4.068 4.227 4.128 4.279 0.211 7 0 "[ . 1 . 2]" 1
1001 1 59 SER HA 1 62 LYS QG 2.948 . 4.034 4.012 3.855 4.110 0.076 11 0 "[ . 1 . 2]" 1
1002 1 59 SER QB 1 60 ARG H 2.377 . 3.083 2.697 2.656 2.724 . 0 0 "[ . 1 . 2]" 1
1003 1 59 SER QB 1 60 ARG HG3 2.601 . 3.446 3.171 3.045 3.283 . 0 0 "[ . 1 . 2]" 1
1004 1 59 SER QB 1 60 ARG QD 3.052 . 4.216 4.145 3.843 4.256 0.040 12 0 "[ . 1 . 2]" 1
1005 1 59 SER QB 1 60 ARG HE 3.060 . 4.230 4.157 3.579 4.566 0.336 1 0 "[ . 1 . 2]" 1
1006 1 59 SER QB 1 60 ARG HB3 3.021 . 4.162 4.142 3.867 4.270 0.108 20 0 "[ . 1 . 2]" 1
1007 1 60 ARG H 1 60 ARG HB2 2.543 . 3.351 3.196 3.060 3.292 . 0 0 "[ . 1 . 2]" 1
1008 1 60 ARG H 1 60 ARG HB3 2.545 . 3.355 3.392 3.256 3.533 0.178 20 0 "[ . 1 . 2]" 1
1009 1 60 ARG H 1 60 ARG QD 2.945 . 4.029 3.950 3.778 4.079 0.050 16 0 "[ . 1 . 2]" 1
1010 1 60 ARG H 1 60 ARG QG 2.478 . 3.245 1.991 1.861 2.095 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ARG H 1 61 THR H 2.732 . 3.665 2.275 2.167 2.391 . 0 0 "[ . 1 . 2]" 1
1012 1 60 ARG HA 1 60 ARG HB2 2.456 . 3.210 2.657 2.549 2.758 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ARG HA 1 60 ARG HB3 2.327 . 3.004 2.271 2.215 2.329 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ARG HB2 1 60 ARG QD 2.738 . 3.675 2.508 2.383 2.998 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ARG HB2 1 60 ARG HE 2.931 . 4.005 3.304 1.905 3.815 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ARG HB2 1 60 ARG QG 2.445 . 3.192 2.385 2.293 2.457 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ARG HB2 1 61 THR H 2.599 . 3.443 2.781 2.463 3.099 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ARG HB3 1 60 ARG HE 2.934 . 4.010 2.694 2.392 3.627 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ARG HB3 1 61 THR H 2.684 . 3.585 3.734 3.638 3.794 0.209 2 0 "[ . 1 . 2]" 1
1020 1 60 ARG HD2 1 60 ARG HG2 2.478 . 3.246 2.026 2.013 2.079 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ARG QD 1 60 ARG HE 2.473 . 3.237 2.406 2.369 2.450 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ARG HE 1 60 ARG QG 2.592 . 3.432 2.527 2.448 2.656 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ARG QG 1 61 THR H 2.244 . 2.873 1.801 1.614 2.090 0.001 17 0 "[ . 1 . 2]" 1
1024 1 61 THR H 1 61 THR HA 2.098 . 2.648 2.383 2.336 2.452 . 0 0 "[ . 1 . 2]" 1
1025 1 61 THR H 1 62 LYS H 2.453 . 3.205 2.366 2.270 2.499 . 0 0 "[ . 1 . 2]" 1
1026 1 61 THR HA 1 61 THR MG 1.619 . 1.947 1.962 1.949 1.971 0.024 17 0 "[ . 1 . 2]" 1
1027 1 61 THR HA 1 62 LYS HB3 3.476 . 4.987 5.205 5.178 5.226 0.239 20 0 "[ . 1 . 2]" 1
1028 1 61 THR HA 1 61 THR MG 1.846 . 2.272 2.312 2.272 2.339 0.067 18 0 "[ . 1 . 2]" 1
1029 1 61 THR HB 1 61 THR MG 1.784 . 2.182 2.120 2.114 2.126 . 0 0 "[ . 1 . 2]" 1
1030 1 61 THR HB 1 62 LYS HB2 3.478 . 4.990 4.975 4.927 5.038 0.048 7 0 "[ . 1 . 2]" 1
1031 1 61 THR HB 1 62 LYS QB 3.235 . 4.543 4.678 4.631 4.706 0.163 18 0 "[ . 1 . 2]" 1
1032 1 61 THR HB 1 63 MET H 2.756 . 3.705 2.226 2.008 3.284 . 0 0 "[ . 1 . 2]" 1
1033 1 61 THR HB 1 63 MET HB3 3.420 . 4.882 4.483 4.089 5.035 0.153 6 0 "[ . 1 . 2]" 1
1034 1 61 THR MG 1 62 LYS H 2.398 . 3.117 3.209 3.094 3.284 0.167 15 0 "[ . 1 . 2]" 1
1035 1 61 THR MG 1 63 MET H 2.963 . 4.060 1.947 1.780 2.891 0.086 2 0 "[ . 1 . 2]" 1
1036 1 61 THR MG 1 63 MET HA 2.819 . 3.813 2.325 2.164 2.612 . 0 0 "[ . 1 . 2]" 1
1037 1 61 THR MG 1 63 MET QG 3.449 . 4.936 4.152 4.028 4.331 . 0 0 "[ . 1 . 2]" 1
1038 1 62 LYS H 1 62 LYS QG 2.341 . 3.026 2.869 2.738 2.939 . 0 0 "[ . 1 . 2]" 1
1039 1 62 LYS H 1 63 MET H 2.401 . 3.121 2.390 2.255 3.027 . 0 0 "[ . 1 . 2]" 1
1040 1 62 LYS HA 1 62 LYS HB3 1.813 . 2.224 2.377 2.316 2.454 0.230 11 0 "[ . 1 . 2]" 1
1041 1 62 LYS HA 1 62 LYS QE 2.822 . 3.817 3.739 3.426 4.032 0.215 11 0 "[ . 1 . 2]" 1
1042 1 62 LYS HA 1 62 LYS QG 2.023 . 2.534 2.434 2.361 2.572 0.038 7 0 "[ . 1 . 2]" 1
1043 1 62 LYS HA 1 63 MET QG 3.087 . 4.278 2.841 2.713 3.072 . 0 0 "[ . 1 . 2]" 1
1044 1 62 LYS HB2 1 62 LYS QE 2.894 . 3.941 2.905 1.879 3.125 . 0 0 "[ . 1 . 2]" 1
1045 1 62 LYS HB2 1 62 LYS QG 2.086 . 2.630 2.327 2.252 2.481 . 0 0 "[ . 1 . 2]" 1
1046 1 62 LYS HB2 1 63 MET QG 3.231 . 4.536 4.557 4.440 4.728 0.192 7 0 "[ . 1 . 2]" 1
1047 1 62 LYS HB3 1 62 LYS QE 2.596 . 3.438 2.043 1.882 3.251 . 0 0 "[ . 1 . 2]" 1
1048 1 62 LYS HB3 1 62 LYS QG 2.081 . 2.622 2.352 2.197 2.430 . 0 0 "[ . 1 . 2]" 1
1049 1 62 LYS HB3 1 63 MET QG 3.198 . 4.476 3.956 3.804 4.210 . 0 0 "[ . 1 . 2]" 1
1050 1 62 LYS QD 1 62 LYS QE 1.791 . 2.192 2.090 2.084 2.093 . 0 0 "[ . 1 . 2]" 1
1051 1 62 LYS QG 1 63 MET QG 3.449 . 4.936 4.728 4.497 4.826 . 0 0 "[ . 1 . 2]" 1
1052 1 63 MET H 1 63 MET HA 2.192 . 2.793 2.265 2.225 2.617 . 0 0 "[ . 1 . 2]" 1
1053 1 63 MET H 1 63 MET QG 2.427 . 3.163 2.858 1.686 3.032 0.005 7 0 "[ . 1 . 2]" 1
1054 1 63 MET HA 1 63 MET HB2 2.183 . 2.778 2.606 2.519 2.791 0.013 1 0 "[ . 1 . 2]" 1
1055 1 63 MET HA 1 63 MET HB3 1.865 . 2.300 2.285 2.184 2.329 0.029 12 0 "[ . 1 . 2]" 1
1056 1 63 MET QB 1 63 MET QG 2.076 . 2.615 2.011 1.986 2.067 . 0 0 "[ . 1 . 2]" 1
1057 1 63 MET HB2 1 63 MET QG 2.213 . 2.825 2.420 2.182 2.520 . 0 0 "[ . 1 . 2]" 1
1058 1 63 MET HB2 1 64 ALA H 2.323 . 2.998 1.687 1.553 2.417 0.095 20 0 "[ . 1 . 2]" 1
1059 1 63 MET HB2 1 65 ASN HA 3.085 . 4.275 3.865 3.091 4.408 0.133 19 0 "[ . 1 . 2]" 1
1060 1 63 MET HB3 1 63 MET QG 2.138 . 2.709 2.163 2.089 2.434 . 0 0 "[ . 1 . 2]" 1
1061 1 63 MET QG 1 64 ALA H 2.891 . 3.935 3.484 2.483 3.715 . 0 0 "[ . 1 . 2]" 1
1062 1 64 ALA H 1 64 ALA HA 2.102 . 2.654 2.828 2.333 2.894 0.240 7 0 "[ . 1 . 2]" 1
1063 1 64 ALA H 1 65 ASN H 2.410 . 3.136 2.818 2.013 3.264 0.128 7 0 "[ . 1 . 2]" 1
1064 1 64 ALA H 1 65 ASN HA 2.928 . 4.000 3.922 3.653 4.220 0.220 7 0 "[ . 1 . 2]" 1
1065 1 64 ALA HA 1 64 ALA MB 1.691 . 2.048 2.128 2.119 2.138 0.090 19 0 "[ . 1 . 2]" 1
1066 1 64 ALA HA 1 65 ASN H 1.964 . 2.446 2.404 2.155 2.787 0.341 8 0 "[ . 1 . 2]" 1
1067 1 64 ALA HA 1 65 ASN QB 3.160 . 4.408 4.230 3.876 4.470 0.062 7 0 "[ . 1 . 2]" 1
1068 1 64 ALA HA 1 67 TYR H 2.870 . 3.900 4.070 3.681 4.303 0.403 2 0 "[ . 1 . 2]" 1
1069 1 64 ALA HA 1 67 TYR QD 3.301 . 4.663 2.739 2.121 4.114 . 0 0 "[ . 1 . 2]" 1
1070 1 64 ALA MB 1 67 TYR H 2.799 . 3.778 2.878 2.505 3.181 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ALA MB 1 67 TYR HB2 3.142 . 4.376 2.161 1.868 2.494 0.040 10 0 "[ . 1 . 2]" 1
1072 1 64 ALA MB 1 67 TYR HB3 3.114 . 4.326 3.630 3.342 3.981 . 0 0 "[ . 1 . 2]" 1
1073 1 64 ALA MB 1 67 TYR QD 3.361 . 4.773 2.987 2.362 3.505 . 0 0 "[ . 1 . 2]" 1
1074 1 65 ASN H 1 65 ASN HA 2.165 . 2.751 2.513 2.265 2.800 0.049 19 0 "[ . 1 . 2]" 1
1075 1 65 ASN H 1 65 ASN QB 2.114 . 2.672 2.684 2.183 2.865 0.193 18 0 "[ . 1 . 2]" 1
1076 1 65 ASN HA 1 65 ASN QB 2.201 . 2.806 2.383 2.302 2.459 . 0 0 "[ . 1 . 2]" 1
1077 1 65 ASN QB 1 65 ASN HD21 2.158 . 2.740 2.323 2.114 2.795 0.055 10 0 "[ . 1 . 2]" 1
1078 1 65 ASN QB 1 65 ASN HD22 2.599 . 3.443 3.309 3.209 3.474 0.031 10 0 "[ . 1 . 2]" 1
1079 1 66 ASP H 1 67 TYR H 2.226 . 2.846 2.317 1.710 2.881 0.035 11 0 "[ . 1 . 2]" 1
1080 1 66 ASP HA 1 66 ASP HB2 2.072 . 2.608 2.645 2.419 3.029 0.421 16 0 "[ . 1 . 2]" 1
1081 1 67 TYR H 1 67 TYR HB2 1.912 . 2.369 2.452 2.390 2.532 0.163 20 0 "[ . 1 . 2]" 1
1082 1 67 TYR H 1 67 TYR QD 2.236 . 2.861 2.810 2.662 2.971 0.110 1 0 "[ . 1 . 2]" 1
1083 1 67 TYR HA 1 67 TYR QB 1.825 . 2.241 2.354 2.324 2.389 0.148 11 0 "[ . 1 . 2]" 1
1084 1 67 TYR HA 1 67 TYR QD 2.075 . 2.613 2.614 2.480 2.711 0.098 10 0 "[ . 1 . 2]" 1
1085 1 67 TYR QB 1 67 TYR QD 1.958 . 2.437 2.137 2.127 2.143 . 0 0 "[ . 1 . 2]" 1
1086 1 67 TYR HB2 1 67 TYR QD 2.096 . 2.645 2.305 2.263 2.323 . 0 0 "[ . 1 . 2]" 1
1087 1 67 TYR HB3 1 67 TYR QD 2.086 . 2.630 2.529 2.493 2.602 . 0 0 "[ . 1 . 2]" 1
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