NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546282 |
2rsg   |
11473 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsg
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 1159
_Distance_constraint_stats_list.Viol_count 2181
_Distance_constraint_stats_list.Viol_total 2940.349
_Distance_constraint_stats_list.Viol_max 1.032
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_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 VAL 5.104 0.497 11 0 "[ . 1 . 2]"
1 2 GLU 3.757 0.252 18 0 "[ . 1 . 2]"
1 3 ARG 4.304 0.189 9 0 "[ . 1 . 2]"
1 4 CYS 1.358 0.149 9 0 "[ . 1 . 2]"
1 5 GLY 1.243 0.118 18 0 "[ . 1 . 2]"
1 6 VAL 3.122 0.129 10 0 "[ . 1 . 2]"
1 7 LEU 1.879 0.114 7 0 "[ . 1 . 2]"
1 8 SER 0.197 0.071 16 0 "[ . 1 . 2]"
1 9 LYS 3.906 0.224 14 0 "[ . 1 . 2]"
1 10 TRP 2.415 0.224 14 0 "[ . 1 . 2]"
1 11 THR 2.371 0.217 19 0 "[ . 1 . 2]"
1 12 ASN 0.750 0.199 11 0 "[ . 1 . 2]"
1 13 TYR 0.768 0.217 3 0 "[ . 1 . 2]"
1 15 HIS 0.768 0.217 3 0 "[ . 1 . 2]"
1 17 TRP 0.949 0.148 17 0 "[ . 1 . 2]"
1 18 GLN 1.837 0.252 13 0 "[ . 1 . 2]"
1 19 ASP 3.118 0.252 13 0 "[ . 1 . 2]"
1 20 ARG 3.998 0.129 10 0 "[ . 1 . 2]"
1 21 TRP 5.058 0.123 10 0 "[ . 1 . 2]"
1 22 VAL 5.066 0.223 5 0 "[ . 1 . 2]"
1 23 VAL 3.996 0.222 19 0 "[ . 1 . 2]"
1 24 LEU 1.756 0.166 19 0 "[ . 1 . 2]"
1 25 LYS 8.847 0.324 2 0 "[ . 1 . 2]"
1 26 ASN 1.067 0.137 9 0 "[ . 1 . 2]"
1 27 ASN 6.328 0.284 19 0 "[ . 1 . 2]"
1 28 ALA 2.418 0.171 17 0 "[ . 1 . 2]"
1 29 LEU 5.466 0.326 19 0 "[ . 1 . 2]"
1 30 SER 8.443 0.326 19 0 "[ . 1 . 2]"
1 31 TYR 4.751 0.223 5 0 "[ . 1 . 2]"
1 32 TYR 5.239 0.185 15 0 "[ . 1 . 2]"
1 33 LYS 3.972 0.332 19 0 "[ . 1 . 2]"
1 35 GLU 3.879 0.179 4 0 "[ . 1 . 2]"
1 36 ASP 0.999 0.175 5 0 "[ . 1 . 2]"
1 37 GLU 8.727 0.301 17 0 "[ . 1 . 2]"
1 38 THR 1.745 0.156 5 0 "[ . 1 . 2]"
1 39 GLU 1.531 0.134 6 0 "[ . 1 . 2]"
1 40 TYR 2.202 0.214 12 0 "[ . 1 . 2]"
1 41 GLY 0.509 0.133 12 0 "[ . 1 . 2]"
1 42 CYS 1.390 0.102 2 0 "[ . 1 . 2]"
1 43 ARG 4.800 0.320 1 0 "[ . 1 . 2]"
1 44 GLY 0.797 0.116 20 0 "[ . 1 . 2]"
1 45 SER 0.685 0.080 5 0 "[ . 1 . 2]"
1 46 ILE 2.140 0.144 6 0 "[ . 1 . 2]"
1 47 CYS 1.056 0.118 17 0 "[ . 1 . 2]"
1 48 LEU 1.649 0.131 8 0 "[ . 1 . 2]"
1 49 SER 0.843 0.118 17 0 "[ . 1 . 2]"
1 50 LYS 1.367 0.181 3 0 "[ . 1 . 2]"
1 51 ALA 1.752 0.156 9 0 "[ . 1 . 2]"
1 52 VAL 0.014 0.014 8 0 "[ . 1 . 2]"
1 53 ILE 2.411 0.114 12 0 "[ . 1 . 2]"
1 54 THR 1.098 0.133 18 0 "[ . 1 . 2]"
1 56 HIS 3.853 0.385 17 0 "[ . 1 . 2]"
1 57 ASP 1.704 0.158 13 0 "[ . 1 . 2]"
1 58 PHE 1.311 0.191 6 0 "[ . 1 . 2]"
1 59 ASP 4.256 0.334 17 0 "[ . 1 . 2]"
1 60 GLU 2.672 0.334 17 0 "[ . 1 . 2]"
1 61 CYS 0.500 0.143 13 0 "[ . 1 . 2]"
1 62 ARG 4.950 0.385 17 0 "[ . 1 . 2]"
1 63 PHE 5.724 0.252 19 0 "[ . 1 . 2]"
1 64 ASP 4.590 0.355 17 0 "[ . 1 . 2]"
1 65 ILE 9.101 0.355 17 0 "[ . 1 . 2]"
1 66 SER 5.120 0.263 7 0 "[ . 1 . 2]"
1 67 VAL 1.879 0.156 9 0 "[ . 1 . 2]"
1 68 ASN 7.166 0.367 17 0 "[ . 1 . 2]"
1 69 ASP 6.443 0.367 17 0 "[ . 1 . 2]"
1 70 SER 1.773 0.129 18 0 "[ . 1 . 2]"
1 71 VAL 2.069 0.263 7 0 "[ . 1 . 2]"
1 72 TRP 6.609 0.242 19 0 "[ . 1 . 2]"
1 73 TYR 2.479 0.154 7 0 "[ . 1 . 2]"
1 74 LEU 0.896 0.085 4 0 "[ . 1 . 2]"
1 75 ARG 3.100 0.252 19 0 "[ . 1 . 2]"
1 76 ALA 0.779 0.205 5 0 "[ . 1 . 2]"
1 77 GLN 1.400 0.238 16 0 "[ . 1 . 2]"
1 78 ASP 0.081 0.053 7 0 "[ . 1 . 2]"
1 81 HIS 0.993 0.325 10 0 "[ . 1 . 2]"
1 83 GLN 3.837 0.328 7 0 "[ . 1 . 2]"
1 84 GLN 3.683 0.238 16 0 "[ . 1 . 2]"
1 85 TRP 9.198 0.153 15 0 "[ . 1 . 2]"
1 86 ILE 3.888 0.146 17 0 "[ . 1 . 2]"
1 87 ASP 1.704 0.098 7 0 "[ . 1 . 2]"
1 88 ALA 1.456 0.116 7 0 "[ . 1 . 2]"
1 89 ILE 6.858 0.284 19 0 "[ . 1 . 2]"
1 90 GLU 1.935 0.098 7 0 "[ . 1 . 2]"
1 91 GLN 2.029 0.134 19 0 "[ . 1 . 2]"
1 92 HIS 9.107 0.264 4 0 "[ . 1 . 2]"
1 93 LYS 6.405 1.032 10 1 "[ . + . 2]"
1 94 THR 3.232 1.032 10 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 VAL H1 1 1 VAL HB . . 3.710 3.609 2.391 4.207 0.497 11 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL QG . . 3.230 2.665 1.893 3.233 0.003 9 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 2 GLU H . . 2.910 2.315 2.135 2.722 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 2 GLU QG . . 4.260 3.874 3.391 4.512 0.252 18 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 25 LYS QB . . 4.050 3.462 1.920 4.374 0.324 2 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 25 LYS QD . . 4.450 3.113 1.730 4.467 0.017 19 0 "[ . 1 . 2]" 1
7 1 1 VAL HB 1 2 GLU H . . 4.010 3.254 1.913 4.052 0.042 16 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 2 GLU H . . 3.540 2.621 2.006 3.342 . 0 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 3 ARG H . . 4.630 3.353 2.157 4.513 . 0 0 "[ . 1 . 2]" 1
10 1 1 VAL QG 1 3 ARG HA . . 5.200 3.839 3.339 4.455 . 0 0 "[ . 1 . 2]" 1
11 1 1 VAL QG 1 4 CYS H . . 5.460 4.051 3.293 5.463 0.003 2 0 "[ . 1 . 2]" 1
12 1 1 VAL QG 1 25 LYS HA . . 5.500 4.765 4.014 5.558 0.058 3 0 "[ . 1 . 2]" 1
13 1 2 GLU H 1 2 GLU HB2 . . 3.730 2.968 2.389 3.567 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU H 1 2 GLU HB3 . . 3.730 3.369 2.626 3.682 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU H 1 2 GLU QG . . 3.700 2.209 1.744 3.507 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU H 1 3 ARG HA . . 5.500 5.123 4.806 5.576 0.076 4 0 "[ . 1 . 2]" 1
17 1 2 GLU H 1 24 LEU QD . . 5.500 4.691 3.797 5.666 0.166 19 0 "[ . 1 . 2]" 1
18 1 2 GLU H 1 25 LYS HA . . 5.500 3.902 2.975 5.138 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU H 1 25 LYS QB . . 4.260 2.909 2.209 3.336 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU H 1 25 LYS QD . . 4.070 3.412 2.391 4.191 0.121 6 0 "[ . 1 . 2]" 1
21 1 2 GLU H 1 25 LYS QG . . 4.200 4.115 3.527 4.347 0.147 18 0 "[ . 1 . 2]" 1
22 1 2 GLU HA 1 2 GLU QG . . 3.710 3.191 2.370 3.500 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLU HA 1 24 LEU QD . . 5.500 4.577 3.524 5.564 0.064 20 0 "[ . 1 . 2]" 1
24 1 2 GLU QB 1 3 ARG H . . 2.920 2.465 1.842 3.109 0.189 9 0 "[ . 1 . 2]" 1
25 1 2 GLU QB 1 3 ARG HA . . 4.680 4.222 3.920 4.487 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLU QG 1 3 ARG H . . 4.340 3.819 3.243 4.413 0.073 18 0 "[ . 1 . 2]" 1
27 1 3 ARG H 1 3 ARG QB . . 3.670 2.576 2.326 2.831 . 0 0 "[ . 1 . 2]" 1
28 1 3 ARG H 1 24 LEU H . . 3.140 2.767 2.215 3.142 0.002 20 0 "[ . 1 . 2]" 1
29 1 3 ARG H 1 24 LEU HB2 . . 4.630 4.201 3.721 4.521 . 0 0 "[ . 1 . 2]" 1
30 1 3 ARG H 1 24 LEU HB3 . . 3.520 2.834 2.363 3.302 . 0 0 "[ . 1 . 2]" 1
31 1 3 ARG H 1 24 LEU QD . . 4.280 3.727 3.285 4.184 . 0 0 "[ . 1 . 2]" 1
32 1 3 ARG H 1 85 TRP HZ3 . . 5.190 5.028 4.354 5.285 0.095 14 0 "[ . 1 . 2]" 1
33 1 3 ARG HA 1 3 ARG QD . . 4.470 3.050 2.502 3.465 . 0 0 "[ . 1 . 2]" 1
34 1 3 ARG HA 1 3 ARG HG2 . . 3.840 3.789 3.597 3.873 0.033 3 0 "[ . 1 . 2]" 1
35 1 3 ARG HA 1 3 ARG HG3 . . 3.950 2.848 2.329 3.112 . 0 0 "[ . 1 . 2]" 1
36 1 3 ARG HA 1 4 CYS H . . 2.940 2.133 2.093 2.184 . 0 0 "[ . 1 . 2]" 1
37 1 3 ARG HA 1 23 VAL QG . . 5.440 5.106 4.720 5.419 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG QB 1 3 ARG QD . . 3.190 2.257 2.081 2.416 . 0 0 "[ . 1 . 2]" 1
39 1 3 ARG QB 1 4 CYS H . . 4.000 3.800 3.663 3.871 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG QB 1 5 GLY H . . 5.340 5.331 5.159 5.411 0.071 14 0 "[ . 1 . 2]" 1
41 1 3 ARG QB 1 24 LEU HB2 . . 4.490 2.956 2.396 3.355 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QB 1 24 LEU QD . . 3.680 3.232 2.881 3.616 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG QB 1 85 TRP HH2 . . 5.340 3.652 3.209 4.009 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG HB2 1 4 CYS H . . 4.700 4.319 4.106 4.512 . 0 0 "[ . 1 . 2]" 1
45 1 3 ARG HB3 1 4 CYS H . . 4.700 4.226 3.990 4.379 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG QD 1 85 TRP HH2 . . 4.560 2.587 1.790 3.544 . 0 0 "[ . 1 . 2]" 1
47 1 3 ARG QD 1 85 TRP HZ2 . . 4.280 4.056 3.401 4.433 0.153 15 0 "[ . 1 . 2]" 1
48 1 3 ARG HD2 1 85 TRP HZ2 . . 5.060 4.960 4.448 5.175 0.115 2 0 "[ . 1 . 2]" 1
49 1 3 ARG HD3 1 85 TRP HZ2 . . 5.060 4.356 3.450 4.980 . 0 0 "[ . 1 . 2]" 1
50 1 3 ARG HG2 1 4 CYS H . . 4.660 4.619 4.214 4.809 0.149 9 0 "[ . 1 . 2]" 1
51 1 3 ARG HG2 1 74 LEU QD . . 3.960 3.784 3.301 4.027 0.067 12 0 "[ . 1 . 2]" 1
52 1 3 ARG HG2 1 85 TRP HH2 . . 2.610 2.059 1.588 2.430 . 0 0 "[ . 1 . 2]" 1
53 1 3 ARG HG2 1 85 TRP HZ2 . . 4.760 4.375 3.856 4.790 0.030 18 0 "[ . 1 . 2]" 1
54 1 3 ARG HG2 1 85 TRP HZ3 . . 2.400 1.986 1.540 2.444 0.044 18 0 "[ . 1 . 2]" 1
55 1 3 ARG HG3 1 4 CYS H . . 3.550 3.039 2.527 3.343 . 0 0 "[ . 1 . 2]" 1
56 1 3 ARG HG3 1 85 TRP HH2 . . 4.460 3.448 3.072 3.888 . 0 0 "[ . 1 . 2]" 1
57 1 3 ARG HG3 1 85 TRP HZ3 . . 4.120 3.531 3.166 3.927 . 0 0 "[ . 1 . 2]" 1
58 1 4 CYS H 1 5 GLY QA . . 4.730 4.314 4.129 4.454 . 0 0 "[ . 1 . 2]" 1
59 1 4 CYS HA 1 5 GLY H . . 3.270 2.147 2.123 2.169 . 0 0 "[ . 1 . 2]" 1
60 1 4 CYS HA 1 22 VAL H . . 4.910 4.524 4.282 4.729 . 0 0 "[ . 1 . 2]" 1
61 1 4 CYS HA 1 23 VAL H . . 5.270 4.767 4.597 4.950 . 0 0 "[ . 1 . 2]" 1
62 1 4 CYS HA 1 23 VAL MG1 . . 4.610 3.984 3.793 4.665 0.055 13 0 "[ . 1 . 2]" 1
63 1 4 CYS HA 1 23 VAL QG . . 3.950 2.680 2.352 3.231 . 0 0 "[ . 1 . 2]" 1
64 1 4 CYS HA 1 23 VAL MG2 . . 4.610 2.727 2.374 3.298 . 0 0 "[ . 1 . 2]" 1
65 1 4 CYS HA 1 24 LEU H . . 3.920 3.836 3.450 3.992 0.072 5 0 "[ . 1 . 2]" 1
66 1 4 CYS HB2 1 5 GLY H . . 3.770 3.612 3.418 3.803 0.033 18 0 "[ . 1 . 2]" 1
67 1 4 CYS HB2 1 21 TRP HE1 . . 4.510 2.855 2.317 3.413 . 0 0 "[ . 1 . 2]" 1
68 1 4 CYS HB2 1 21 TRP HH2 . . 4.970 4.007 3.374 4.556 . 0 0 "[ . 1 . 2]" 1
69 1 4 CYS HB2 1 21 TRP HZ2 . . 3.670 2.156 1.821 2.713 . 0 0 "[ . 1 . 2]" 1
70 1 4 CYS HB3 1 5 GLY H . . 4.350 4.283 4.145 4.362 0.012 12 0 "[ . 1 . 2]" 1
71 1 4 CYS HB3 1 21 TRP HE1 . . 4.450 3.754 3.239 4.237 . 0 0 "[ . 1 . 2]" 1
72 1 4 CYS HB3 1 21 TRP HZ2 . . 4.600 3.789 3.389 4.432 . 0 0 "[ . 1 . 2]" 1
73 1 4 CYS HB3 1 23 VAL HA . . 3.750 3.431 2.929 3.769 0.019 17 0 "[ . 1 . 2]" 1
74 1 4 CYS HB3 1 23 VAL QG . . 4.840 2.244 1.795 2.539 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLY H 1 6 VAL H . . 5.050 4.390 4.365 4.404 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLY H 1 21 TRP HE1 . . 5.160 4.790 4.423 5.156 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLY H 1 21 TRP HH2 . . 5.500 5.143 4.524 5.376 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLY H 1 21 TRP HZ2 . . 4.850 4.691 4.383 4.870 0.020 3 0 "[ . 1 . 2]" 1
79 1 5 GLY H 1 21 TRP HZ3 . . 5.500 5.297 4.750 5.537 0.037 8 0 "[ . 1 . 2]" 1
80 1 5 GLY H 1 22 VAL H . . 3.880 2.950 2.824 3.106 . 0 0 "[ . 1 . 2]" 1
81 1 5 GLY H 1 22 VAL HB . . 5.500 4.723 3.681 5.145 . 0 0 "[ . 1 . 2]" 1
82 1 5 GLY H 1 22 VAL QG . . 5.440 3.075 2.654 4.062 . 0 0 "[ . 1 . 2]" 1
83 1 5 GLY H 1 23 VAL HA . . 4.370 3.917 3.750 4.033 . 0 0 "[ . 1 . 2]" 1
84 1 5 GLY H 1 23 VAL MG1 . . 5.500 5.507 5.417 5.560 0.060 15 0 "[ . 1 . 2]" 1
85 1 5 GLY H 1 23 VAL MG2 . . 5.500 3.914 3.582 5.035 . 0 0 "[ . 1 . 2]" 1
86 1 5 GLY QA 1 6 VAL H . . 3.460 2.270 2.220 2.298 . 0 0 "[ . 1 . 2]" 1
87 1 5 GLY QA 1 6 VAL HB . . 5.320 5.280 5.258 5.296 . 0 0 "[ . 1 . 2]" 1
88 1 5 GLY QA 1 22 VAL H . . 4.810 4.097 3.985 4.165 . 0 0 "[ . 1 . 2]" 1
89 1 5 GLY QA 1 22 VAL QG . . 4.750 3.951 3.500 4.868 0.118 18 0 "[ . 1 . 2]" 1
90 1 6 VAL H 1 6 VAL HB . . 3.590 3.618 3.575 3.675 0.085 12 0 "[ . 1 . 2]" 1
91 1 6 VAL H 1 6 VAL QG . . 3.970 1.800 1.735 1.912 . 0 0 "[ . 1 . 2]" 1
92 1 6 VAL H 1 21 TRP HE3 . . 4.770 3.774 3.072 4.336 . 0 0 "[ . 1 . 2]" 1
93 1 6 VAL H 1 21 TRP HZ3 . . 4.450 3.485 3.118 3.980 . 0 0 "[ . 1 . 2]" 1
94 1 6 VAL HA 1 7 LEU H . . 3.040 2.124 2.071 2.226 . 0 0 "[ . 1 . 2]" 1
95 1 6 VAL HA 1 21 TRP HZ3 . . 5.500 4.842 4.216 5.104 . 0 0 "[ . 1 . 2]" 1
96 1 6 VAL HB 1 7 LEU H . . 3.080 2.998 2.650 3.124 0.044 19 0 "[ . 1 . 2]" 1
97 1 6 VAL HB 1 7 LEU HA . . 4.610 4.352 4.074 4.507 . 0 0 "[ . 1 . 2]" 1
98 1 6 VAL HB 1 21 TRP HE3 . . 4.870 4.424 4.188 4.674 . 0 0 "[ . 1 . 2]" 1
99 1 6 VAL QG 1 7 LEU H . . 3.260 3.288 3.052 3.374 0.114 7 0 "[ . 1 . 2]" 1
100 1 6 VAL QG 1 19 ASP H . . 5.500 5.008 4.583 5.540 0.040 14 0 "[ . 1 . 2]" 1
101 1 6 VAL QG 1 19 ASP HB2 . . 4.190 2.806 2.241 3.944 . 0 0 "[ . 1 . 2]" 1
102 1 6 VAL QG 1 19 ASP QB . . 3.470 2.483 2.211 2.918 . 0 0 "[ . 1 . 2]" 1
103 1 6 VAL QG 1 19 ASP HB3 . . 4.190 3.228 2.279 4.118 . 0 0 "[ . 1 . 2]" 1
104 1 6 VAL QG 1 20 ARG H . . 3.750 3.816 3.754 3.879 0.129 10 0 "[ . 1 . 2]" 1
105 1 6 VAL QG 1 21 TRP HZ3 . . 3.950 2.572 2.331 2.833 . 0 0 "[ . 1 . 2]" 1
106 1 7 LEU H 1 8 SER H . . 4.540 4.291 4.078 4.427 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU H 1 19 ASP QB . . 5.340 4.055 3.593 4.314 . 0 0 "[ . 1 . 2]" 1
108 1 7 LEU H 1 20 ARG HG2 . . 4.510 3.429 2.972 3.852 . 0 0 "[ . 1 . 2]" 1
109 1 7 LEU H 1 20 ARG HG3 . . 3.940 3.279 2.791 3.729 . 0 0 "[ . 1 . 2]" 1
110 1 7 LEU H 1 21 TRP HE3 . . 5.500 5.388 4.926 5.545 0.045 16 0 "[ . 1 . 2]" 1
111 1 7 LEU H 1 22 VAL QG . . 4.370 3.243 2.904 3.762 . 0 0 "[ . 1 . 2]" 1
112 1 7 LEU HA 1 8 SER H . . 3.350 2.164 2.127 2.458 . 0 0 "[ . 1 . 2]" 1
113 1 7 LEU HA 1 19 ASP QB . . 5.340 5.161 4.341 5.410 0.070 12 0 "[ . 1 . 2]" 1
114 1 7 LEU HA 1 22 VAL QG . . 5.440 4.281 3.889 5.199 . 0 0 "[ . 1 . 2]" 1
115 1 7 LEU QD 1 8 SER H . . 3.420 2.665 2.051 3.491 0.071 16 0 "[ . 1 . 2]" 1
116 1 7 LEU QD 1 74 LEU QD . . 3.040 2.006 1.505 3.059 0.019 5 0 "[ . 1 . 2]" 1
117 1 7 LEU HG 1 8 SER H . . 4.500 3.440 2.878 4.568 0.068 5 0 "[ . 1 . 2]" 1
118 1 7 LEU HG 1 9 LYS H . . 5.500 4.299 3.607 5.609 0.109 5 0 "[ . 1 . 2]" 1
119 1 7 LEU HG 1 74 LEU QD . . 4.760 4.289 3.109 4.801 0.041 13 0 "[ . 1 . 2]" 1
120 1 8 SER H 1 9 LYS H . . 5.500 4.264 4.005 4.374 . 0 0 "[ . 1 . 2]" 1
121 1 8 SER HA 1 9 LYS H . . 3.280 2.170 2.118 2.255 . 0 0 "[ . 1 . 2]" 1
122 1 8 SER HA 1 18 GLN H . . 5.000 4.296 3.785 4.773 . 0 0 "[ . 1 . 2]" 1
123 1 9 LYS H 1 9 LYS HB2 . . 3.880 3.192 2.987 3.336 . 0 0 "[ . 1 . 2]" 1
124 1 9 LYS H 1 9 LYS HB3 . . 3.880 2.930 2.578 3.323 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS H 1 9 LYS HD2 . . 5.500 4.799 4.596 5.176 . 0 0 "[ . 1 . 2]" 1
126 1 9 LYS H 1 9 LYS QD . . 4.660 4.356 4.203 4.485 . 0 0 "[ . 1 . 2]" 1
127 1 9 LYS H 1 9 LYS HD3 . . 5.500 5.022 4.632 5.451 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS H 1 10 TRP H . . 4.700 4.355 4.132 4.481 . 0 0 "[ . 1 . 2]" 1
129 1 9 LYS H 1 17 TRP HA . . 4.730 4.308 3.881 4.762 0.032 6 0 "[ . 1 . 2]" 1
130 1 9 LYS H 1 18 GLN H . . 3.920 3.054 2.642 3.317 . 0 0 "[ . 1 . 2]" 1
131 1 9 LYS H 1 18 GLN QB . . 5.320 4.548 3.845 5.169 . 0 0 "[ . 1 . 2]" 1
132 1 9 LYS H 1 20 ARG HG2 . . 4.720 3.839 3.549 4.084 . 0 0 "[ . 1 . 2]" 1
133 1 9 LYS H 1 20 ARG HG3 . . 5.500 5.448 5.076 5.565 0.065 12 0 "[ . 1 . 2]" 1
134 1 9 LYS QB 1 9 LYS QD . . 3.160 2.324 2.103 2.418 . 0 0 "[ . 1 . 2]" 1
135 1 9 LYS QB 1 18 GLN H . . 5.130 4.499 4.166 4.884 . 0 0 "[ . 1 . 2]" 1
136 1 9 LYS HB2 1 10 TRP H . . 4.650 4.040 3.820 4.264 . 0 0 "[ . 1 . 2]" 1
137 1 9 LYS HB3 1 10 TRP H . . 4.650 3.673 2.882 4.291 . 0 0 "[ . 1 . 2]" 1
138 1 9 LYS QD 1 17 TRP HA . . 5.340 5.212 4.601 5.429 0.089 16 0 "[ . 1 . 2]" 1
139 1 9 LYS HD2 1 10 TRP H . . 4.110 2.582 1.864 4.186 0.076 14 0 "[ . 1 . 2]" 1
140 1 9 LYS HD3 1 10 TRP H . . 4.110 3.638 2.513 4.143 0.033 4 0 "[ . 1 . 2]" 1
141 1 9 LYS QE 1 10 TRP H . . 5.170 3.591 2.730 4.216 . 0 0 "[ . 1 . 2]" 1
142 1 9 LYS QE 1 10 TRP HZ3 . . 2.680 2.642 1.965 2.868 0.188 16 0 "[ . 1 . 2]" 1
143 1 9 LYS QE 1 73 TYR QB . . 3.990 3.205 2.351 4.117 0.127 14 0 "[ . 1 . 2]" 1
144 1 9 LYS QE 1 73 TYR QD . . 4.260 2.831 2.080 3.971 . 0 0 "[ . 1 . 2]" 1
145 1 9 LYS QE 1 73 TYR QE . . 4.970 3.500 2.308 5.000 0.030 12 0 "[ . 1 . 2]" 1
146 1 9 LYS QG 1 10 TRP H . . 4.790 2.350 1.658 3.369 . 0 0 "[ . 1 . 2]" 1
147 1 9 LYS QG 1 10 TRP HA . . 4.390 4.429 4.272 4.614 0.224 14 0 "[ . 1 . 2]" 1
148 1 9 LYS QG 1 10 TRP HZ3 . . 5.500 4.701 2.922 5.569 0.069 8 0 "[ . 1 . 2]" 1
149 1 9 LYS QG 1 73 TYR QB . . 3.720 3.364 2.456 3.827 0.107 19 0 "[ . 1 . 2]" 1
150 1 9 LYS QG 1 73 TYR QE . . 4.790 4.209 2.793 4.889 0.099 15 0 "[ . 1 . 2]" 1
151 1 10 TRP H 1 10 TRP QB . . 3.260 2.488 2.096 2.949 . 0 0 "[ . 1 . 2]" 1
152 1 10 TRP H 1 17 TRP HA . . 3.910 3.709 3.335 4.027 0.117 17 0 "[ . 1 . 2]" 1
153 1 10 TRP HA 1 11 THR H . . 3.550 2.209 2.105 2.378 . 0 0 "[ . 1 . 2]" 1
154 1 10 TRP HA 1 17 TRP H . . 5.380 4.080 3.626 4.691 . 0 0 "[ . 1 . 2]" 1
155 1 10 TRP HA 1 18 GLN H . . 4.020 3.101 2.051 3.867 . 0 0 "[ . 1 . 2]" 1
156 1 11 THR H 1 11 THR HB . . 3.970 3.219 2.368 3.687 . 0 0 "[ . 1 . 2]" 1
157 1 11 THR H 1 11 THR MG . . 4.060 2.792 2.100 3.857 . 0 0 "[ . 1 . 2]" 1
158 1 11 THR H 1 17 TRP HA . . 4.100 3.132 2.577 3.795 . 0 0 "[ . 1 . 2]" 1
159 1 11 THR H 1 18 GLN H . . 4.880 3.593 2.190 4.297 . 0 0 "[ . 1 . 2]" 1
160 1 11 THR HB 1 18 GLN QG . . 4.730 4.015 1.710 4.779 0.049 16 0 "[ . 1 . 2]" 1
161 1 11 THR MG 1 12 ASN HD21 . . 5.500 4.545 3.201 5.596 0.096 13 0 "[ . 1 . 2]" 1
162 1 11 THR MG 1 12 ASN QD . . 4.730 4.090 2.646 4.814 0.084 17 0 "[ . 1 . 2]" 1
163 1 11 THR MG 1 12 ASN HD22 . . 5.500 4.813 2.821 5.699 0.199 11 0 "[ . 1 . 2]" 1
164 1 11 THR MG 1 18 GLN H . . 4.220 3.503 2.656 4.392 0.172 17 0 "[ . 1 . 2]" 1
165 1 11 THR MG 1 18 GLN QE . . 5.340 3.731 1.876 5.010 . 0 0 "[ . 1 . 2]" 1
166 1 11 THR MG 1 19 ASP H . . 5.500 5.416 4.531 5.717 0.217 19 0 "[ . 1 . 2]" 1
167 1 13 TYR QB 1 15 HIS H . . 4.110 3.563 2.454 4.327 0.217 3 0 "[ . 1 . 2]" 1
168 1 17 TRP H 1 17 TRP HB2 . . 3.720 3.373 2.493 3.799 0.079 17 0 "[ . 1 . 2]" 1
169 1 17 TRP H 1 17 TRP QB . . 2.840 2.712 2.450 2.988 0.148 17 0 "[ . 1 . 2]" 1
170 1 17 TRP H 1 17 TRP HB3 . . 3.720 3.068 2.688 3.674 . 0 0 "[ . 1 . 2]" 1
171 1 17 TRP H 1 17 TRP HD1 . . 4.460 3.444 2.016 4.405 . 0 0 "[ . 1 . 2]" 1
172 1 17 TRP H 1 17 TRP HE1 . . 5.110 4.704 3.977 5.176 0.066 16 0 "[ . 1 . 2]" 1
173 1 17 TRP HA 1 18 GLN H . . 3.200 2.216 2.098 2.394 . 0 0 "[ . 1 . 2]" 1
174 1 17 TRP HA 1 18 GLN QB . . 4.510 4.217 3.870 4.543 0.033 2 0 "[ . 1 . 2]" 1
175 1 17 TRP HB2 1 18 GLN H . . 4.520 3.254 2.368 4.350 . 0 0 "[ . 1 . 2]" 1
176 1 17 TRP HB3 1 18 GLN H . . 4.520 3.831 3.032 4.242 . 0 0 "[ . 1 . 2]" 1
177 1 18 GLN H 1 18 GLN HB2 . . 4.080 3.113 2.238 3.966 . 0 0 "[ . 1 . 2]" 1
178 1 18 GLN H 1 18 GLN QB . . 3.520 2.656 2.212 3.278 . 0 0 "[ . 1 . 2]" 1
179 1 18 GLN H 1 18 GLN HB3 . . 4.080 3.243 2.486 3.722 . 0 0 "[ . 1 . 2]" 1
180 1 18 GLN H 1 18 GLN QG . . 4.110 3.259 2.336 4.179 0.069 15 0 "[ . 1 . 2]" 1
181 1 18 GLN HA 1 18 GLN QE . . 4.670 3.647 2.337 4.727 0.057 1 0 "[ . 1 . 2]" 1
182 1 18 GLN HA 1 18 GLN QG . . 3.620 2.926 2.282 3.487 . 0 0 "[ . 1 . 2]" 1
183 1 18 GLN HA 1 19 ASP H . . 3.180 2.364 2.118 2.547 . 0 0 "[ . 1 . 2]" 1
184 1 18 GLN QB 1 18 GLN QE . . 3.720 2.574 1.596 3.713 . 0 0 "[ . 1 . 2]" 1
185 1 18 GLN QB 1 19 ASP H . . 3.040 2.647 2.007 3.292 0.252 13 0 "[ . 1 . 2]" 1
186 1 18 GLN QG 1 19 ASP H . . 3.950 3.250 1.767 4.168 0.218 5 0 "[ . 1 . 2]" 1
187 1 19 ASP H 1 19 ASP HB2 . . 3.810 3.288 2.442 3.811 0.001 2 0 "[ . 1 . 2]" 1
188 1 19 ASP H 1 19 ASP QB . . 3.010 2.702 2.408 3.048 0.038 2 0 "[ . 1 . 2]" 1
189 1 19 ASP H 1 19 ASP HB3 . . 3.810 3.191 2.691 3.722 . 0 0 "[ . 1 . 2]" 1
190 1 19 ASP HA 1 20 ARG H . . 3.060 2.123 2.057 2.256 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASP HB2 1 20 ARG H . . 4.350 3.756 2.786 4.406 0.056 19 0 "[ . 1 . 2]" 1
192 1 19 ASP HB3 1 20 ARG H . . 4.350 4.052 3.486 4.408 0.058 9 0 "[ . 1 . 2]" 1
193 1 20 ARG H 1 20 ARG HB2 . . 3.960 3.699 3.613 3.828 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG H 1 20 ARG HD2 . . 5.410 4.525 3.903 4.882 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG H 1 20 ARG QD . . 4.610 3.967 3.516 4.262 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG H 1 20 ARG HD3 . . 5.410 4.452 3.995 4.971 . 0 0 "[ . 1 . 2]" 1
197 1 20 ARG H 1 20 ARG HG2 . . 4.340 1.983 1.774 2.188 . 0 0 "[ . 1 . 2]" 1
198 1 20 ARG H 1 20 ARG HG3 . . 4.290 3.034 2.794 3.464 . 0 0 "[ . 1 . 2]" 1
199 1 20 ARG H 1 22 VAL QG . . 5.440 4.482 4.240 5.454 0.014 5 0 "[ . 1 . 2]" 1
200 1 20 ARG HA 1 21 TRP H . . 3.440 2.287 2.165 2.392 . 0 0 "[ . 1 . 2]" 1
201 1 20 ARG HA 1 21 TRP HA . . 5.110 4.275 4.199 4.315 . 0 0 "[ . 1 . 2]" 1
202 1 20 ARG HB2 1 21 TRP H . . 4.430 2.794 2.629 3.137 . 0 0 "[ . 1 . 2]" 1
203 1 20 ARG HB2 1 21 TRP HA . . 4.720 4.775 4.732 4.817 0.097 13 0 "[ . 1 . 2]" 1
204 1 20 ARG HB2 1 31 TYR QD . . 3.320 1.801 1.440 2.106 . 0 0 "[ . 1 . 2]" 1
205 1 20 ARG HB2 1 32 TYR H . . 4.980 3.875 3.641 4.086 . 0 0 "[ . 1 . 2]" 1
206 1 20 ARG HB3 1 21 TRP H . . 3.870 3.880 3.671 3.985 0.115 15 0 "[ . 1 . 2]" 1
207 1 20 ARG HB3 1 31 TYR QD . . 3.720 3.253 2.809 3.742 0.022 10 0 "[ . 1 . 2]" 1
208 1 20 ARG QD 1 31 TYR QD . . 3.670 2.778 2.353 3.725 0.055 15 0 "[ . 1 . 2]" 1
209 1 20 ARG QD 1 31 TYR QE . . 3.620 2.860 1.711 3.629 0.009 15 0 "[ . 1 . 2]" 1
210 1 20 ARG HG2 1 21 TRP H . . 5.180 4.914 4.767 5.067 . 0 0 "[ . 1 . 2]" 1
211 1 20 ARG HG3 1 31 TYR QD . . 3.790 3.384 2.828 3.786 . 0 0 "[ . 1 . 2]" 1
212 1 20 ARG HG3 1 32 TYR H . . 5.480 5.261 4.948 5.539 0.059 18 0 "[ . 1 . 2]" 1
213 1 21 TRP H 1 21 TRP HB2 . . 3.650 2.743 2.640 2.929 . 0 0 "[ . 1 . 2]" 1
214 1 21 TRP H 1 21 TRP HB3 . . 3.170 2.561 2.444 2.638 . 0 0 "[ . 1 . 2]" 1
215 1 21 TRP H 1 22 VAL QG . . 5.440 4.188 3.991 5.187 . 0 0 "[ . 1 . 2]" 1
216 1 21 TRP H 1 31 TYR QD . . 4.560 3.448 3.260 3.677 . 0 0 "[ . 1 . 2]" 1
217 1 21 TRP H 1 31 TYR QE . . 5.060 5.074 4.654 5.163 0.103 20 0 "[ . 1 . 2]" 1
218 1 21 TRP H 1 32 TYR H . . 4.180 2.957 2.664 3.146 . 0 0 "[ . 1 . 2]" 1
219 1 21 TRP H 1 32 TYR QD . . 4.570 4.385 4.054 4.673 0.103 12 0 "[ . 1 . 2]" 1
220 1 21 TRP H 1 33 LYS HA . . 4.370 4.237 3.466 4.493 0.123 10 0 "[ . 1 . 2]" 1
221 1 21 TRP HA 1 21 TRP HE3 . . 3.930 2.867 2.432 3.049 . 0 0 "[ . 1 . 2]" 1
222 1 21 TRP HA 1 21 TRP HZ3 . . 5.500 5.002 4.631 5.189 . 0 0 "[ . 1 . 2]" 1
223 1 21 TRP HA 1 22 VAL H . . 3.010 2.142 2.112 2.189 . 0 0 "[ . 1 . 2]" 1
224 1 21 TRP HB2 1 22 VAL H . . 4.870 4.357 4.250 4.411 . 0 0 "[ . 1 . 2]" 1
225 1 21 TRP HB3 1 21 TRP HD1 . . 2.770 2.602 2.542 2.641 . 0 0 "[ . 1 . 2]" 1
226 1 21 TRP HB3 1 22 VAL H . . 4.460 4.255 4.047 4.332 . 0 0 "[ . 1 . 2]" 1
227 1 21 TRP HB3 1 23 VAL QG . . 5.020 4.555 4.273 5.115 0.095 13 0 "[ . 1 . 2]" 1
228 1 21 TRP HB3 1 32 TYR QD . . 3.380 2.493 1.982 3.056 . 0 0 "[ . 1 . 2]" 1
229 1 21 TRP HD1 1 22 VAL H . . 4.450 4.492 4.226 4.547 0.097 4 0 "[ . 1 . 2]" 1
230 1 21 TRP HD1 1 23 VAL QG . . 3.800 2.603 2.280 3.444 . 0 0 "[ . 1 . 2]" 1
231 1 21 TRP HD1 1 32 TYR HB2 . . 4.350 3.471 2.962 3.702 . 0 0 "[ . 1 . 2]" 1
232 1 21 TRP HD1 1 32 TYR QD . . 4.540 1.705 1.458 1.917 . 0 0 "[ . 1 . 2]" 1
233 1 21 TRP HD1 1 32 TYR QE . . 3.390 2.682 2.223 3.059 . 0 0 "[ . 1 . 2]" 1
234 1 21 TRP HD1 1 37 GLU H . . 5.500 5.107 4.645 5.508 0.008 4 0 "[ . 1 . 2]" 1
235 1 21 TRP HD1 1 37 GLU QB . . 5.130 3.159 2.431 4.819 . 0 0 "[ . 1 . 2]" 1
236 1 21 TRP HE1 1 23 VAL QG . . 3.600 2.446 2.093 3.469 . 0 0 "[ . 1 . 2]" 1
237 1 21 TRP HE1 1 37 GLU QG . . 4.270 3.606 2.546 4.371 0.101 13 0 "[ . 1 . 2]" 1
238 1 21 TRP HE3 1 22 VAL H . . 4.490 4.416 3.754 4.562 0.072 5 0 "[ . 1 . 2]" 1
239 1 22 VAL H 1 22 VAL HB . . 3.920 3.413 2.374 3.810 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL H 1 22 VAL MG1 . . 3.800 2.900 2.339 3.821 0.021 10 0 "[ . 1 . 2]" 1
241 1 22 VAL H 1 22 VAL QG . . 2.990 2.273 2.030 2.906 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL H 1 22 VAL MG2 . . 3.800 2.443 2.115 3.873 0.073 5 0 "[ . 1 . 2]" 1
243 1 22 VAL H 1 23 VAL HA . . 5.090 5.059 4.880 5.136 0.046 20 0 "[ . 1 . 2]" 1
244 1 22 VAL H 1 32 TYR QD . . 4.930 4.889 4.536 5.017 0.087 17 0 "[ . 1 . 2]" 1
245 1 22 VAL HA 1 22 VAL QG . . 2.530 2.268 2.101 2.354 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL HA 1 23 VAL H . . 3.110 2.165 2.112 2.213 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL HA 1 23 VAL HB . . 4.950 4.324 4.081 4.448 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL HA 1 23 VAL QG . . 4.810 3.583 3.419 3.756 . 0 0 "[ . 1 . 2]" 1
249 1 22 VAL HA 1 30 SER H . . 5.040 4.619 4.336 4.912 . 0 0 "[ . 1 . 2]" 1
250 1 22 VAL HA 1 31 TYR HB2 . . 4.540 2.680 2.358 2.857 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL HA 1 31 TYR HB3 . . 3.520 3.233 3.032 3.561 0.041 13 0 "[ . 1 . 2]" 1
252 1 22 VAL HA 1 32 TYR H . . 4.210 3.611 3.424 3.744 . 0 0 "[ . 1 . 2]" 1
253 1 22 VAL HB 1 23 VAL H . . 4.360 3.271 2.768 4.338 . 0 0 "[ . 1 . 2]" 1
254 1 22 VAL HB 1 31 TYR QD . . 5.450 5.518 4.622 5.667 0.217 18 0 "[ . 1 . 2]" 1
255 1 22 VAL QG 1 23 VAL H . . 3.620 3.101 2.222 3.392 . 0 0 "[ . 1 . 2]" 1
256 1 22 VAL QG 1 24 LEU H . . 4.750 4.268 3.791 4.777 0.027 13 0 "[ . 1 . 2]" 1
257 1 22 VAL QG 1 31 TYR HB2 . . 3.720 1.953 1.658 2.456 . 0 0 "[ . 1 . 2]" 1
258 1 22 VAL QG 1 31 TYR HB3 . . 5.290 2.333 2.063 2.609 . 0 0 "[ . 1 . 2]" 1
259 1 22 VAL QG 1 31 TYR QD . . 3.670 3.375 2.919 3.893 0.223 5 0 "[ . 1 . 2]" 1
260 1 22 VAL QG 1 32 TYR H . . 4.520 3.965 3.760 4.370 . 0 0 "[ . 1 . 2]" 1
261 1 22 VAL QG 1 32 TYR QD . . 5.290 4.907 4.737 5.019 . 0 0 "[ . 1 . 2]" 1
262 1 22 VAL QG 1 85 TRP HZ3 . . 4.720 4.457 4.108 4.761 0.041 20 0 "[ . 1 . 2]" 1
263 1 23 VAL H 1 23 VAL HB . . 3.570 2.689 2.547 3.302 . 0 0 "[ . 1 . 2]" 1
264 1 23 VAL H 1 23 VAL QG . . 3.410 2.851 2.275 3.046 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL H 1 30 SER HA . . 5.500 4.713 4.518 4.888 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL H 1 30 SER QB . . 4.700 3.900 3.281 4.635 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL H 1 31 TYR HB2 . . 4.740 4.470 4.071 4.757 0.017 19 0 "[ . 1 . 2]" 1
268 1 23 VAL H 1 32 TYR QD . . 5.180 4.729 4.398 5.038 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL H 1 32 TYR QE . . 4.370 4.069 3.656 4.376 0.006 20 0 "[ . 1 . 2]" 1
270 1 23 VAL HA 1 24 LEU HB2 . . 4.730 4.433 4.245 4.753 0.023 17 0 "[ . 1 . 2]" 1
271 1 23 VAL HA 1 32 TYR QE . . 5.500 4.887 4.603 5.355 . 0 0 "[ . 1 . 2]" 1
272 1 23 VAL HB 1 30 SER H . . 5.250 3.674 3.181 5.267 0.017 13 0 "[ . 1 . 2]" 1
273 1 23 VAL HB 1 30 SER HB2 . . 5.480 3.278 2.760 4.499 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL HB 1 30 SER QB . . 4.760 3.201 2.735 4.328 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL HB 1 30 SER HB3 . . 5.480 4.686 4.317 5.624 0.144 13 0 "[ . 1 . 2]" 1
276 1 23 VAL HB 1 32 TYR QD . . 5.500 4.532 4.104 5.011 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL HB 1 32 TYR QE . . 3.950 2.679 2.114 3.279 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL QG 1 24 LEU H . . 3.560 2.751 2.536 2.946 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL QG 1 24 LEU HA . . 5.290 3.469 3.274 3.627 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL QG 1 25 LYS H . . 4.790 3.622 3.272 3.981 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL QG 1 25 LYS HA . . 5.440 4.683 4.334 5.034 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL QG 1 30 SER H . . 3.540 3.619 2.860 3.762 0.222 19 0 "[ . 1 . 2]" 1
283 1 23 VAL QG 1 32 TYR H . . 5.370 4.835 4.652 5.146 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL QG 1 32 TYR QD . . 3.810 3.187 2.954 3.622 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL QG 1 32 TYR QE . . 3.410 2.023 1.762 2.368 . 0 0 "[ . 1 . 2]" 1
286 1 24 LEU H 1 24 LEU HB2 . . 3.990 2.805 2.603 3.110 . 0 0 "[ . 1 . 2]" 1
287 1 24 LEU H 1 24 LEU HB3 . . 4.190 2.683 2.394 2.785 . 0 0 "[ . 1 . 2]" 1
288 1 24 LEU H 1 24 LEU QD . . 4.360 3.810 3.694 3.879 . 0 0 "[ . 1 . 2]" 1
289 1 24 LEU H 1 85 TRP HZ3 . . 5.500 4.998 4.372 5.450 . 0 0 "[ . 1 . 2]" 1
290 1 24 LEU HA 1 24 LEU QD . . 3.040 2.518 1.900 2.918 . 0 0 "[ . 1 . 2]" 1
291 1 24 LEU HA 1 25 LYS H . . 2.730 2.172 2.136 2.196 . 0 0 "[ . 1 . 2]" 1
292 1 24 LEU HA 1 25 LYS QB . . 4.570 4.136 3.947 4.556 . 0 0 "[ . 1 . 2]" 1
293 1 24 LEU HA 1 29 LEU QB . . 4.850 3.554 3.182 3.855 . 0 0 "[ . 1 . 2]" 1
294 1 24 LEU HA 1 29 LEU MD1 . . 5.180 2.376 2.166 2.519 . 0 0 "[ . 1 . 2]" 1
295 1 24 LEU HA 1 29 LEU QD . . 3.730 2.369 2.163 2.505 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU HA 1 29 LEU MD2 . . 5.180 4.680 4.453 4.897 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU HA 1 30 SER H . . 4.320 3.605 3.390 3.955 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU HB2 1 25 LYS H . . 4.620 4.437 4.160 4.558 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU HB2 1 29 LEU MD1 . . 4.280 2.058 1.695 2.436 . 0 0 "[ . 1 . 2]" 1
300 1 24 LEU HB2 1 29 LEU QD . . 3.160 2.052 1.692 2.423 . 0 0 "[ . 1 . 2]" 1
301 1 24 LEU HB2 1 29 LEU MD2 . . 4.280 4.062 3.567 4.312 0.032 5 0 "[ . 1 . 2]" 1
302 1 24 LEU HB2 1 30 SER H . . 5.500 5.019 4.801 5.500 0.000 16 0 "[ . 1 . 2]" 1
303 1 24 LEU HB2 1 85 TRP HZ3 . . 4.080 3.584 2.844 4.104 0.024 19 0 "[ . 1 . 2]" 1
304 1 24 LEU HB2 1 88 ALA MB . . 5.500 4.927 4.599 5.399 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU HB3 1 85 TRP HE3 . . 4.480 4.248 3.337 4.545 0.065 20 0 "[ . 1 . 2]" 1
306 1 24 LEU HB3 1 85 TRP HZ3 . . 4.040 3.651 2.457 4.093 0.053 8 0 "[ . 1 . 2]" 1
307 1 24 LEU QD 1 25 LYS H . . 3.430 2.473 2.011 2.911 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU QD 1 25 LYS HA . . 3.180 2.819 2.496 3.321 0.141 17 0 "[ . 1 . 2]" 1
309 1 24 LEU QD 1 28 ALA H . . 3.840 3.699 2.932 3.870 0.030 15 0 "[ . 1 . 2]" 1
310 1 24 LEU QD 1 30 SER H . . 5.500 4.892 4.046 5.395 . 0 0 "[ . 1 . 2]" 1
311 1 24 LEU QD 1 85 TRP HA . . 4.150 3.124 2.679 3.856 . 0 0 "[ . 1 . 2]" 1
312 1 24 LEU QD 1 85 TRP HE3 . . 4.290 2.538 1.905 3.571 . 0 0 "[ . 1 . 2]" 1
313 1 24 LEU QD 1 85 TRP HZ3 . . 4.280 3.297 2.741 4.346 0.066 1 0 "[ . 1 . 2]" 1
314 1 24 LEU QD 1 88 ALA H . . 4.600 4.434 4.172 4.636 0.036 18 0 "[ . 1 . 2]" 1
315 1 24 LEU QD 1 88 ALA HA . . 4.420 4.004 3.721 4.290 . 0 0 "[ . 1 . 2]" 1
316 1 24 LEU QD 1 89 ILE H . . 3.790 3.537 3.110 3.820 0.030 6 0 "[ . 1 . 2]" 1
317 1 24 LEU QD 1 89 ILE HA . . 3.850 3.446 2.910 3.912 0.062 6 0 "[ . 1 . 2]" 1
318 1 25 LYS H 1 25 LYS QB . . 3.720 2.936 2.721 3.379 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS H 1 25 LYS QD . . 4.690 4.618 2.292 4.875 0.185 17 0 "[ . 1 . 2]" 1
320 1 25 LYS H 1 25 LYS QG . . 4.540 3.884 2.682 4.393 . 0 0 "[ . 1 . 2]" 1
321 1 25 LYS H 1 26 ASN H . . 4.870 4.295 4.194 4.383 . 0 0 "[ . 1 . 2]" 1
322 1 25 LYS H 1 28 ALA MB . . 4.840 3.936 3.762 4.181 . 0 0 "[ . 1 . 2]" 1
323 1 25 LYS H 1 29 LEU HA . . 5.030 3.448 3.276 3.590 . 0 0 "[ . 1 . 2]" 1
324 1 25 LYS H 1 29 LEU QD . . 4.170 4.068 3.853 4.199 0.029 19 0 "[ . 1 . 2]" 1
325 1 25 LYS H 1 30 SER H . . 5.200 4.830 4.611 5.225 0.025 9 0 "[ . 1 . 2]" 1
326 1 25 LYS HA 1 25 LYS QG . . 3.030 2.957 2.505 3.345 0.315 11 0 "[ . 1 . 2]" 1
327 1 25 LYS HA 1 26 ASN H . . 3.140 2.355 2.218 2.622 . 0 0 "[ . 1 . 2]" 1
328 1 25 LYS HA 1 28 ALA H . . 4.560 4.406 4.165 4.630 0.070 11 0 "[ . 1 . 2]" 1
329 1 25 LYS HA 1 92 HIS HD2 . . 3.690 3.642 2.930 3.831 0.141 10 0 "[ . 1 . 2]" 1
330 1 25 LYS QB 1 25 LYS QE . . 3.850 3.606 3.506 3.855 0.005 20 0 "[ . 1 . 2]" 1
331 1 25 LYS QB 1 26 ASN H . . 4.520 3.231 1.971 3.637 . 0 0 "[ . 1 . 2]" 1
332 1 25 LYS QB 1 28 ALA H . . 5.150 4.850 4.621 5.277 0.127 11 0 "[ . 1 . 2]" 1
333 1 25 LYS QD 1 26 ASN QD . . 4.520 3.696 2.567 4.263 . 0 0 "[ . 1 . 2]" 1
334 1 25 LYS QE 1 25 LYS QG . . 3.030 2.229 2.053 2.410 . 0 0 "[ . 1 . 2]" 1
335 1 25 LYS QE 1 26 ASN QD . . 2.790 2.559 1.976 2.869 0.079 7 0 "[ . 1 . 2]" 1
336 1 25 LYS QG 1 26 ASN H . . 4.040 2.562 1.874 3.648 . 0 0 "[ . 1 . 2]" 1
337 1 25 LYS QG 1 26 ASN HB2 . . 4.700 3.167 2.007 3.833 . 0 0 "[ . 1 . 2]" 1
338 1 25 LYS QG 1 26 ASN QB . . 3.990 3.070 1.996 3.647 . 0 0 "[ . 1 . 2]" 1
339 1 25 LYS QG 1 26 ASN HB3 . . 4.700 4.265 3.528 4.705 0.005 18 0 "[ . 1 . 2]" 1
340 1 25 LYS QG 1 26 ASN HD21 . . 4.720 3.137 1.665 4.073 . 0 0 "[ . 1 . 2]" 1
341 1 25 LYS QG 1 26 ASN QD . . 3.930 2.801 1.648 3.597 . 0 0 "[ . 1 . 2]" 1
342 1 25 LYS QG 1 26 ASN HD22 . . 4.720 3.310 2.646 4.857 0.137 9 0 "[ . 1 . 2]" 1
343 1 26 ASN H 1 26 ASN QB . . 3.550 3.307 2.956 3.453 . 0 0 "[ . 1 . 2]" 1
344 1 26 ASN H 1 26 ASN QD . . 4.160 3.783 2.729 4.287 0.127 18 0 "[ . 1 . 2]" 1
345 1 26 ASN H 1 92 HIS HD2 . . 4.630 4.068 3.489 4.642 0.012 5 0 "[ . 1 . 2]" 1
346 1 26 ASN HA 1 26 ASN QB . . 2.520 2.395 2.334 2.516 . 0 0 "[ . 1 . 2]" 1
347 1 26 ASN HA 1 28 ALA H . . 4.970 4.382 4.052 4.864 . 0 0 "[ . 1 . 2]" 1
348 1 26 ASN QB 1 26 ASN QD . . 3.070 2.276 2.093 2.679 . 0 0 "[ . 1 . 2]" 1
349 1 26 ASN QB 1 28 ALA H . . 4.100 3.052 2.616 3.439 . 0 0 "[ . 1 . 2]" 1
350 1 26 ASN QB 1 28 ALA MB . . 3.890 3.003 2.515 3.309 . 0 0 "[ . 1 . 2]" 1
351 1 26 ASN HB2 1 28 ALA H . . 4.830 3.242 2.668 4.122 . 0 0 "[ . 1 . 2]" 1
352 1 26 ASN HB3 1 28 ALA H . . 4.830 4.082 3.133 4.552 . 0 0 "[ . 1 . 2]" 1
353 1 27 ASN HD21 1 48 LEU HB3 . . 4.750 3.386 2.905 3.830 . 0 0 "[ . 1 . 2]" 1
354 1 27 ASN HD21 1 89 ILE HB . . 5.100 5.210 4.926 5.384 0.284 19 0 "[ . 1 . 2]" 1
355 1 27 ASN HD21 1 89 ILE MG . . 3.010 2.737 2.595 2.967 . 0 0 "[ . 1 . 2]" 1
356 1 27 ASN HD21 1 92 HIS HA . . 5.250 4.749 4.239 4.982 . 0 0 "[ . 1 . 2]" 1
357 1 27 ASN HD21 1 92 HIS HB2 . . 4.040 2.525 2.223 2.835 . 0 0 "[ . 1 . 2]" 1
358 1 27 ASN HD21 1 92 HIS HB3 . . 3.660 2.905 2.424 3.223 . 0 0 "[ . 1 . 2]" 1
359 1 27 ASN HD21 1 93 LYS HA . . 4.020 3.405 2.835 4.034 0.014 5 0 "[ . 1 . 2]" 1
360 1 27 ASN HD22 1 48 LEU HB2 . . 3.910 2.646 2.310 3.158 . 0 0 "[ . 1 . 2]" 1
361 1 27 ASN HD22 1 48 LEU HB3 . . 2.600 2.660 2.611 2.731 0.131 8 0 "[ . 1 . 2]" 1
362 1 27 ASN HD22 1 49 SER H . . 5.500 4.470 3.675 5.012 . 0 0 "[ . 1 . 2]" 1
363 1 27 ASN HD22 1 49 SER HA . . 4.800 3.804 3.284 4.499 . 0 0 "[ . 1 . 2]" 1
364 1 27 ASN HD22 1 89 ILE MG . . 2.400 2.282 1.819 2.471 0.071 18 0 "[ . 1 . 2]" 1
365 1 27 ASN HD22 1 92 HIS HB2 . . 3.900 3.940 3.798 4.036 0.136 4 0 "[ . 1 . 2]" 1
366 1 27 ASN HD22 1 92 HIS HB3 . . 4.370 4.320 3.942 4.497 0.127 7 0 "[ . 1 . 2]" 1
367 1 27 ASN HD22 1 93 LYS HA . . 4.680 2.758 2.418 3.203 . 0 0 "[ . 1 . 2]" 1
368 1 27 ASN HD22 1 93 LYS QD . . 5.500 4.891 4.341 5.512 0.012 16 0 "[ . 1 . 2]" 1
369 1 27 ASN HD22 1 93 LYS QG . . 4.190 3.705 2.757 4.261 0.071 13 0 "[ . 1 . 2]" 1
370 1 27 ASN HD22 1 94 THR H . . 5.240 4.480 3.897 4.887 . 0 0 "[ . 1 . 2]" 1
371 1 27 ASN HD22 1 94 THR MG . . 5.500 5.133 3.328 5.634 0.134 19 0 "[ . 1 . 2]" 1
372 1 28 ALA H 1 28 ALA MB . . 3.190 2.477 2.371 2.604 . 0 0 "[ . 1 . 2]" 1
373 1 28 ALA H 1 48 LEU HB2 . . 5.010 4.694 4.091 5.065 0.055 7 0 "[ . 1 . 2]" 1
374 1 28 ALA H 1 92 HIS HB3 . . 4.650 4.702 4.348 4.821 0.171 17 0 "[ . 1 . 2]" 1
375 1 28 ALA HA 1 29 LEU H . . 3.140 2.240 2.115 2.480 . 0 0 "[ . 1 . 2]" 1
376 1 28 ALA HA 1 29 LEU QB . . 5.180 4.000 3.890 4.084 . 0 0 "[ . 1 . 2]" 1
377 1 28 ALA HA 1 46 ILE H . . 4.980 4.723 4.222 4.980 . 6 0 "[ . 1 . 2]" 1
378 1 28 ALA MB 1 29 LEU H . . 3.270 2.714 2.206 3.135 . 0 0 "[ . 1 . 2]" 1
379 1 28 ALA MB 1 29 LEU HA . . 4.650 4.033 3.877 4.211 . 0 0 "[ . 1 . 2]" 1
380 1 28 ALA MB 1 30 SER H . . 5.310 4.910 4.735 5.069 . 0 0 "[ . 1 . 2]" 1
381 1 28 ALA MB 1 46 ILE H . . 4.350 4.054 3.658 4.391 0.041 4 0 "[ . 1 . 2]" 1
382 1 28 ALA MB 1 46 ILE HA . . 5.500 5.159 4.700 5.546 0.046 4 0 "[ . 1 . 2]" 1
383 1 28 ALA MB 1 47 CYS HA . . 3.630 3.229 2.715 3.633 0.003 2 0 "[ . 1 . 2]" 1
384 1 28 ALA MB 1 47 CYS QB . . 4.540 4.285 3.560 4.573 0.033 3 0 "[ . 1 . 2]" 1
385 1 29 LEU H 1 29 LEU HB2 . . 3.810 3.041 2.839 3.321 . 0 0 "[ . 1 . 2]" 1
386 1 29 LEU H 1 29 LEU HB3 . . 3.810 2.624 2.511 2.749 . 0 0 "[ . 1 . 2]" 1
387 1 29 LEU H 1 29 LEU QD . . 5.140 3.915 3.838 4.014 . 0 0 "[ . 1 . 2]" 1
388 1 29 LEU H 1 30 SER H . . 5.500 4.356 4.265 4.453 . 0 0 "[ . 1 . 2]" 1
389 1 29 LEU H 1 30 SER HA . . 5.440 4.910 4.775 5.110 . 0 0 "[ . 1 . 2]" 1
390 1 29 LEU H 1 46 ILE H . . 3.650 2.961 2.736 3.283 . 0 0 "[ . 1 . 2]" 1
391 1 29 LEU H 1 46 ILE MD . . 4.860 4.230 3.918 4.638 . 0 0 "[ . 1 . 2]" 1
392 1 29 LEU H 1 46 ILE HG12 . . 4.410 3.772 3.460 3.977 . 0 0 "[ . 1 . 2]" 1
393 1 29 LEU H 1 46 ILE HG13 . . 3.890 2.792 2.477 3.225 . 0 0 "[ . 1 . 2]" 1
394 1 29 LEU HA 1 29 LEU MD1 . . 4.180 2.093 1.992 2.195 . 0 0 "[ . 1 . 2]" 1
395 1 29 LEU HA 1 29 LEU QD . . 3.360 2.084 1.986 2.184 . 0 0 "[ . 1 . 2]" 1
396 1 29 LEU HA 1 29 LEU MD2 . . 4.180 3.869 3.814 3.911 . 0 0 "[ . 1 . 2]" 1
397 1 29 LEU HA 1 30 SER H . . 3.120 2.158 2.106 2.211 . 0 0 "[ . 1 . 2]" 1
398 1 29 LEU QB 1 30 SER H . . 4.210 3.670 3.618 3.717 . 0 0 "[ . 1 . 2]" 1
399 1 29 LEU QB 1 46 ILE H . . 3.620 3.370 3.061 3.564 . 0 0 "[ . 1 . 2]" 1
400 1 29 LEU QB 1 46 ILE MD . . 4.350 2.506 2.130 2.875 . 0 0 "[ . 1 . 2]" 1
401 1 29 LEU QB 1 46 ILE HG12 . . 4.380 2.493 2.153 2.720 . 0 0 "[ . 1 . 2]" 1
402 1 29 LEU QB 1 65 ILE MG . . 4.840 3.851 3.444 4.183 . 0 0 "[ . 1 . 2]" 1
403 1 29 LEU QB 1 72 TRP HZ3 . . 5.040 4.903 4.643 5.087 0.047 4 0 "[ . 1 . 2]" 1
404 1 29 LEU HB2 1 30 SER H . . 4.970 4.156 4.096 4.219 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU HB3 1 30 SER H . . 4.970 4.086 4.003 4.165 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU QD 1 30 SER H . . 3.300 2.290 2.019 2.579 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU QD 1 46 ILE MD . . 2.700 2.063 1.599 2.724 0.024 8 0 "[ . 1 . 2]" 1
408 1 29 LEU QD 1 72 TRP HE3 . . 3.220 2.384 2.288 2.525 . 0 0 "[ . 1 . 2]" 1
409 1 29 LEU QD 1 72 TRP HH2 . . 4.680 4.129 3.715 4.451 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU QD 1 72 TRP HZ3 . . 3.640 3.130 2.743 3.361 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU QD 1 74 LEU QD . . 3.540 2.127 1.718 2.987 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU QD 1 85 TRP HE3 . . 5.040 4.544 4.275 4.836 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU QD 1 85 TRP HZ3 . . 4.350 4.230 3.781 4.425 0.075 15 0 "[ . 1 . 2]" 1
414 1 29 LEU MD1 1 30 SER H . . 4.100 2.300 2.023 2.599 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU MD1 1 72 TRP HZ3 . . 4.970 3.719 3.052 4.317 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU MD2 1 30 SER H . . 4.100 4.341 4.247 4.426 0.326 19 0 "[ . 1 . 2]" 1
417 1 29 LEU MD2 1 72 TRP HZ3 . . 4.970 3.401 3.075 3.758 . 0 0 "[ . 1 . 2]" 1
418 1 29 LEU HG 1 30 SER H . . 4.730 2.889 2.723 3.100 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU HG 1 46 ILE HG12 . . 4.680 3.794 3.313 4.216 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU HG 1 72 TRP HZ3 . . 3.970 3.046 2.729 3.467 . 0 0 "[ . 1 . 2]" 1
421 1 30 SER H 1 30 SER HB2 . . 3.920 2.908 2.595 3.838 . 0 0 "[ . 1 . 2]" 1
422 1 30 SER H 1 30 SER QB . . 3.300 2.791 2.551 3.229 . 0 0 "[ . 1 . 2]" 1
423 1 30 SER H 1 30 SER HB3 . . 3.920 3.829 3.464 3.933 0.013 9 0 "[ . 1 . 2]" 1
424 1 30 SER H 1 31 TYR H . . 5.500 4.371 4.159 4.464 . 0 0 "[ . 1 . 2]" 1
425 1 30 SER H 1 32 TYR QE . . 5.500 5.368 4.842 5.564 0.064 7 0 "[ . 1 . 2]" 1
426 1 30 SER H 1 72 TRP HZ3 . . 5.350 4.580 3.996 5.205 . 0 0 "[ . 1 . 2]" 1
427 1 30 SER HA 1 31 TYR H . . 3.220 2.305 2.150 2.467 . 0 0 "[ . 1 . 2]" 1
428 1 30 SER HA 1 45 SER H . . 5.030 4.525 4.150 4.752 . 0 0 "[ . 1 . 2]" 1
429 1 30 SER HA 1 46 ILE H . . 4.010 3.630 3.413 3.860 . 0 0 "[ . 1 . 2]" 1
430 1 30 SER HA 1 72 TRP HH2 . . 3.760 2.818 2.335 3.377 . 0 0 "[ . 1 . 2]" 1
431 1 30 SER HA 1 72 TRP HZ2 . . 4.660 4.166 3.603 4.689 0.029 13 0 "[ . 1 . 2]" 1
432 1 30 SER QB 1 31 TYR H . . 3.380 2.798 2.427 3.258 . 0 0 "[ . 1 . 2]" 1
433 1 30 SER QB 1 32 TYR QD . . 5.080 4.592 4.358 4.805 . 0 0 "[ . 1 . 2]" 1
434 1 30 SER QB 1 32 TYR QE . . 3.870 3.484 3.214 3.784 . 0 0 "[ . 1 . 2]" 1
435 1 30 SER QB 1 72 TRP HH2 . . 5.340 4.508 4.023 5.021 . 0 0 "[ . 1 . 2]" 1
436 1 30 SER HB2 1 32 TYR QE . . 4.740 3.769 3.512 4.159 . 0 0 "[ . 1 . 2]" 1
437 1 30 SER HB3 1 32 TYR QE . . 4.740 4.154 3.618 4.824 0.084 2 0 "[ . 1 . 2]" 1
438 1 31 TYR H 1 31 TYR HB3 . . 3.100 2.928 2.775 3.104 0.004 11 0 "[ . 1 . 2]" 1
439 1 31 TYR H 1 31 TYR QD . . 3.760 2.783 2.497 3.193 . 0 0 "[ . 1 . 2]" 1
440 1 31 TYR H 1 32 TYR H . . 5.260 4.391 4.315 4.478 . 0 0 "[ . 1 . 2]" 1
441 1 31 TYR H 1 44 GLY H . . 3.920 2.810 2.557 3.094 . 0 0 "[ . 1 . 2]" 1
442 1 31 TYR H 1 72 TRP HH2 . . 4.000 2.525 2.205 3.265 . 0 0 "[ . 1 . 2]" 1
443 1 31 TYR H 1 72 TRP HZ3 . . 4.960 3.946 3.607 4.437 . 0 0 "[ . 1 . 2]" 1
444 1 31 TYR HB2 1 32 TYR H . . 3.260 2.798 2.672 2.991 . 0 0 "[ . 1 . 2]" 1
445 1 31 TYR HB2 1 72 TRP HH2 . . 4.090 4.095 3.870 4.156 0.066 15 0 "[ . 1 . 2]" 1
446 1 31 TYR HB3 1 32 TYR H . . 4.270 4.049 3.979 4.149 . 0 0 "[ . 1 . 2]" 1
447 1 31 TYR QD 1 43 ARG QB . . 4.030 3.449 3.245 3.741 . 0 0 "[ . 1 . 2]" 1
448 1 31 TYR QD 1 44 GLY H . . 3.390 3.228 2.650 3.436 0.046 16 0 "[ . 1 . 2]" 1
449 1 31 TYR QD 1 72 TRP HH2 . . 4.060 1.848 1.518 2.017 . 0 0 "[ . 1 . 2]" 1
450 1 31 TYR QD 1 72 TRP HZ2 . . 4.760 3.228 2.826 3.504 . 0 0 "[ . 1 . 2]" 1
451 1 31 TYR QE 1 43 ARG QB . . 4.360 2.928 2.686 3.242 . 0 0 "[ . 1 . 2]" 1
452 1 31 TYR QE 1 44 GLY H . . 5.500 3.773 3.282 4.124 . 0 0 "[ . 1 . 2]" 1
453 1 31 TYR QE 1 45 SER H . . 5.220 5.220 4.844 5.300 0.080 5 0 "[ . 1 . 2]" 1
454 1 31 TYR QE 1 72 TRP HZ2 . . 4.840 4.228 3.798 4.621 . 0 0 "[ . 1 . 2]" 1
455 1 31 TYR QE 1 72 TRP HZ3 . . 5.500 5.222 4.904 5.509 0.009 11 0 "[ . 1 . 2]" 1
456 1 32 TYR H 1 32 TYR QD . . 3.640 2.659 2.427 2.802 . 0 0 "[ . 1 . 2]" 1
457 1 32 TYR H 1 32 TYR QE . . 4.620 4.537 4.429 4.655 0.035 15 0 "[ . 1 . 2]" 1
458 1 32 TYR H 1 42 CYS HA . . 5.500 5.354 5.009 5.573 0.073 1 0 "[ . 1 . 2]" 1
459 1 32 TYR H 1 43 ARG HG2 . . 5.500 5.203 4.795 5.532 0.032 20 0 "[ . 1 . 2]" 1
460 1 32 TYR H 1 43 ARG HG3 . . 5.500 5.542 5.260 5.685 0.185 15 0 "[ . 1 . 2]" 1
461 1 32 TYR HA 1 32 TYR QD . . 3.400 3.055 2.966 3.148 . 0 0 "[ . 1 . 2]" 1
462 1 32 TYR HA 1 32 TYR QE . . 5.500 4.860 4.799 4.909 . 0 0 "[ . 1 . 2]" 1
463 1 32 TYR HA 1 43 ARG HG2 . . 3.150 2.415 1.982 2.861 . 0 0 "[ . 1 . 2]" 1
464 1 32 TYR HB2 1 33 LYS H . . 3.490 3.256 2.864 3.478 . 0 0 "[ . 1 . 2]" 1
465 1 32 TYR HB2 1 33 LYS QB . . 4.750 4.699 4.395 4.830 0.080 10 0 "[ . 1 . 2]" 1
466 1 32 TYR HB2 1 37 GLU QB . . 4.650 3.022 2.489 4.587 . 0 0 "[ . 1 . 2]" 1
467 1 32 TYR HB2 1 40 TYR QD . . 4.330 4.053 2.846 4.403 0.073 2 0 "[ . 1 . 2]" 1
468 1 32 TYR HB3 1 33 LYS H . . 3.910 2.438 2.165 2.766 . 0 0 "[ . 1 . 2]" 1
469 1 32 TYR HB3 1 37 GLU HA . . 3.740 2.603 2.188 3.222 . 0 0 "[ . 1 . 2]" 1
470 1 32 TYR HB3 1 37 GLU QG . . 5.080 4.866 4.032 5.184 0.104 13 0 "[ . 1 . 2]" 1
471 1 32 TYR HB3 1 40 TYR QD . . 4.200 3.642 2.103 4.082 . 0 0 "[ . 1 . 2]" 1
472 1 32 TYR QD 1 33 LYS H . . 4.360 4.158 4.014 4.379 0.019 10 0 "[ . 1 . 2]" 1
473 1 32 TYR QD 1 37 GLU QB . . 4.100 2.844 2.497 3.804 . 0 0 "[ . 1 . 2]" 1
474 1 32 TYR QD 1 40 TYR HB2 . . 4.170 3.741 2.578 4.200 0.030 15 0 "[ . 1 . 2]" 1
475 1 32 TYR QD 1 41 GLY H . . 4.180 3.649 3.078 4.207 0.027 4 0 "[ . 1 . 2]" 1
476 1 32 TYR QD 1 42 CYS HA . . 4.720 2.380 1.959 2.709 . 0 0 "[ . 1 . 2]" 1
477 1 32 TYR QD 1 43 ARG HG2 . . 5.190 4.170 3.694 4.764 . 0 0 "[ . 1 . 2]" 1
478 1 32 TYR QE 1 37 GLU HA . . 4.950 4.758 4.339 5.092 0.142 9 0 "[ . 1 . 2]" 1
479 1 32 TYR QE 1 41 GLY H . . 5.040 4.827 4.243 5.173 0.133 12 0 "[ . 1 . 2]" 1
480 1 32 TYR QE 1 42 CYS HB2 . . 4.120 3.782 2.469 4.161 0.041 15 0 "[ . 1 . 2]" 1
481 1 32 TYR QE 1 42 CYS HB3 . . 4.120 3.028 2.283 4.204 0.084 12 0 "[ . 1 . 2]" 1
482 1 33 LYS H 1 33 LYS QB . . 3.600 2.293 2.052 2.585 . 0 0 "[ . 1 . 2]" 1
483 1 33 LYS H 1 42 CYS HA . . 5.500 5.391 4.796 5.602 0.102 2 0 "[ . 1 . 2]" 1
484 1 33 LYS H 1 43 ARG QD . . 4.890 4.426 3.703 4.939 0.049 9 0 "[ . 1 . 2]" 1
485 1 33 LYS H 1 43 ARG HG2 . . 4.220 2.965 2.659 3.293 . 0 0 "[ . 1 . 2]" 1
486 1 33 LYS H 1 43 ARG HG3 . . 3.920 3.161 2.472 3.793 . 0 0 "[ . 1 . 2]" 1
487 1 33 LYS HA 1 33 LYS HG2 . . 4.190 2.880 2.393 3.816 . 0 0 "[ . 1 . 2]" 1
488 1 33 LYS HA 1 33 LYS HG3 . . 4.190 3.583 3.006 3.772 . 0 0 "[ . 1 . 2]" 1
489 1 33 LYS HA 1 43 ARG HG3 . . 3.780 3.491 2.984 3.809 0.029 18 0 "[ . 1 . 2]" 1
490 1 33 LYS QB 1 33 LYS QE . . 3.460 2.732 1.870 3.792 0.332 19 0 "[ . 1 . 2]" 1
491 1 33 LYS QB 1 37 GLU HA . . 5.240 5.112 4.578 5.410 0.170 16 0 "[ . 1 . 2]" 1
492 1 33 LYS QB 1 40 TYR HB2 . . 4.900 3.567 3.090 4.300 . 0 0 "[ . 1 . 2]" 1
493 1 33 LYS QB 1 40 TYR HB3 . . 3.810 2.472 1.731 3.675 . 0 0 "[ . 1 . 2]" 1
494 1 33 LYS QB 1 40 TYR QE . . 4.300 3.441 2.704 3.892 . 0 0 "[ . 1 . 2]" 1
495 1 33 LYS QD 1 40 TYR QD . . 5.340 4.648 1.971 5.416 0.076 6 0 "[ . 1 . 2]" 1
496 1 33 LYS QE 1 33 LYS HG2 . . 3.730 2.960 2.367 3.493 . 0 0 "[ . 1 . 2]" 1
497 1 33 LYS QE 1 33 LYS QG . . 3.270 2.404 2.120 2.833 . 0 0 "[ . 1 . 2]" 1
498 1 33 LYS QE 1 33 LYS HG3 . . 3.730 2.681 2.305 3.322 . 0 0 "[ . 1 . 2]" 1
499 1 33 LYS QG 1 40 TYR HB3 . . 4.070 3.119 2.213 4.065 . 0 0 "[ . 1 . 2]" 1
500 1 33 LYS QG 1 40 TYR QE . . 5.340 4.090 2.904 4.889 . 0 0 "[ . 1 . 2]" 1
501 1 33 LYS HG2 1 40 TYR HA . . 5.500 5.056 3.965 5.615 0.115 19 0 "[ . 1 . 2]" 1
502 1 33 LYS HG3 1 40 TYR HA . . 5.500 4.771 3.681 5.714 0.214 12 0 "[ . 1 . 2]" 1
503 1 35 GLU H 1 35 GLU HB2 . . 3.610 2.580 2.441 3.426 . 0 0 "[ . 1 . 2]" 1
504 1 35 GLU H 1 35 GLU HB3 . . 3.830 2.506 2.372 2.871 . 0 0 "[ . 1 . 2]" 1
505 1 35 GLU H 1 35 GLU HG2 . . 4.710 4.422 4.340 4.478 . 0 0 "[ . 1 . 2]" 1
506 1 35 GLU H 1 35 GLU QG . . 4.090 3.959 3.933 4.066 . 0 0 "[ . 1 . 2]" 1
507 1 35 GLU H 1 35 GLU HG3 . . 4.710 4.470 4.396 4.783 0.073 4 0 "[ . 1 . 2]" 1
508 1 35 GLU H 1 36 ASP H . . 4.090 2.606 1.631 2.806 . 0 0 "[ . 1 . 2]" 1
509 1 35 GLU H 1 37 GLU H . . 4.730 4.612 3.438 4.891 0.161 8 0 "[ . 1 . 2]" 1
510 1 35 GLU HB2 1 36 ASP H . . 4.610 4.072 3.949 4.209 . 0 0 "[ . 1 . 2]" 1
511 1 35 GLU HB3 1 36 ASP H . . 3.410 2.927 2.769 3.246 . 0 0 "[ . 1 . 2]" 1
512 1 35 GLU QG 1 36 ASP H . . 4.650 3.812 3.452 4.108 . 0 0 "[ . 1 . 2]" 1
513 1 35 GLU QG 1 36 ASP HA . . 3.940 3.770 3.273 3.994 0.054 5 0 "[ . 1 . 2]" 1
514 1 35 GLU QG 1 37 GLU H . . 4.690 4.387 3.959 4.869 0.179 4 0 "[ . 1 . 2]" 1
515 1 35 GLU QG 1 37 GLU QG . . 3.900 3.928 3.659 4.017 0.117 2 0 "[ . 1 . 2]" 1
516 1 35 GLU HG2 1 36 ASP H . . 5.370 3.981 3.547 4.348 . 0 0 "[ . 1 . 2]" 1
517 1 35 GLU HG2 1 37 GLU QG . . 4.580 4.309 4.031 4.522 . 0 0 "[ . 1 . 2]" 1
518 1 35 GLU HG3 1 36 ASP H . . 5.370 4.885 4.730 5.052 . 0 0 "[ . 1 . 2]" 1
519 1 35 GLU HG3 1 37 GLU QG . . 4.580 4.540 4.196 4.662 0.082 11 0 "[ . 1 . 2]" 1
520 1 36 ASP H 1 36 ASP HB2 . . 3.370 2.434 2.224 2.653 . 0 0 "[ . 1 . 2]" 1
521 1 36 ASP H 1 36 ASP HB3 . . 3.370 2.897 2.480 3.545 0.175 5 0 "[ . 1 . 2]" 1
522 1 36 ASP H 1 37 GLU H . . 3.610 3.058 2.432 3.387 . 0 0 "[ . 1 . 2]" 1
523 1 36 ASP H 1 40 TYR QD . . 5.020 3.545 2.774 4.554 . 0 0 "[ . 1 . 2]" 1
524 1 36 ASP QB 1 37 GLU HA . . 4.720 4.511 4.127 4.760 0.040 15 0 "[ . 1 . 2]" 1
525 1 36 ASP QB 1 40 TYR QD . . 4.270 2.914 2.067 3.626 . 0 0 "[ . 1 . 2]" 1
526 1 37 GLU H 1 37 GLU HB2 . . 3.670 3.662 3.512 3.949 0.279 10 0 "[ . 1 . 2]" 1
527 1 37 GLU H 1 37 GLU HB3 . . 3.670 2.986 2.634 3.971 0.301 17 0 "[ . 1 . 2]" 1
528 1 37 GLU H 1 37 GLU QG . . 3.620 2.331 1.641 3.337 . 0 0 "[ . 1 . 2]" 1
529 1 37 GLU H 1 38 THR MG . . 5.440 4.758 4.080 5.596 0.156 5 0 "[ . 1 . 2]" 1
530 1 37 GLU H 1 39 GLU H . . 5.500 4.769 4.464 5.249 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLU H 1 40 TYR HB2 . . 4.380 4.175 3.488 4.496 0.116 20 0 "[ . 1 . 2]" 1
532 1 37 GLU H 1 40 TYR QE . . 5.470 4.198 2.204 5.329 . 0 0 "[ . 1 . 2]" 1
533 1 37 GLU HA 1 37 GLU QB . . 2.520 2.171 2.124 2.304 . 0 0 "[ . 1 . 2]" 1
534 1 37 GLU HA 1 37 GLU QG . . 3.540 3.228 2.511 3.454 . 0 0 "[ . 1 . 2]" 1
535 1 37 GLU HA 1 40 TYR HB2 . . 3.720 2.386 1.783 3.092 . 0 0 "[ . 1 . 2]" 1
536 1 37 GLU HA 1 40 TYR QD . . 3.900 2.788 1.652 3.419 . 0 0 "[ . 1 . 2]" 1
537 1 37 GLU HA 1 41 GLY H . . 4.530 3.834 2.957 4.608 0.078 1 0 "[ . 1 . 2]" 1
538 1 37 GLU QB 1 41 GLY H . . 5.340 4.466 3.884 5.316 . 0 0 "[ . 1 . 2]" 1
539 1 37 GLU QG 1 38 THR HB . . 5.500 4.731 2.972 5.604 0.104 16 0 "[ . 1 . 2]" 1
540 1 38 THR H 1 38 THR HB . . 3.740 2.770 2.405 3.556 . 0 0 "[ . 1 . 2]" 1
541 1 38 THR H 1 38 THR MG . . 3.590 2.388 1.908 3.575 . 0 0 "[ . 1 . 2]" 1
542 1 38 THR H 1 39 GLU H . . 3.680 2.821 2.089 3.272 . 0 0 "[ . 1 . 2]" 1
543 1 38 THR HB 1 39 GLU H . . 3.910 3.715 2.679 4.044 0.134 6 0 "[ . 1 . 2]" 1
544 1 38 THR HB 1 40 TYR H . . 5.500 5.350 4.629 5.616 0.116 8 0 "[ . 1 . 2]" 1
545 1 38 THR MG 1 39 GLU H . . 4.960 2.693 1.645 4.201 . 0 0 "[ . 1 . 2]" 1
546 1 39 GLU H 1 39 GLU QB . . 3.250 2.688 2.173 2.966 . 0 0 "[ . 1 . 2]" 1
547 1 39 GLU H 1 39 GLU HG2 . . 4.480 2.579 2.017 4.566 0.086 15 0 "[ . 1 . 2]" 1
548 1 39 GLU H 1 39 GLU HG3 . . 4.480 3.230 2.774 4.557 0.077 18 0 "[ . 1 . 2]" 1
549 1 39 GLU H 1 40 TYR H . . 3.680 2.289 1.939 2.508 . 0 0 "[ . 1 . 2]" 1
550 1 39 GLU H 1 40 TYR HB2 . . 4.450 4.327 3.991 4.543 0.093 13 0 "[ . 1 . 2]" 1
551 1 39 GLU HA 1 39 GLU QG . . 3.660 3.280 2.465 3.365 . 0 0 "[ . 1 . 2]" 1
552 1 39 GLU QB 1 40 TYR H . . 3.910 3.675 2.610 3.962 0.052 16 0 "[ . 1 . 2]" 1
553 1 39 GLU QB 1 40 TYR QD . . 5.500 4.624 3.959 5.004 . 0 0 "[ . 1 . 2]" 1
554 1 39 GLU QB 1 40 TYR QE . . 5.500 5.017 4.337 5.550 0.050 5 0 "[ . 1 . 2]" 1
555 1 39 GLU QG 1 40 TYR H . . 3.890 3.090 2.503 3.898 0.008 18 0 "[ . 1 . 2]" 1
556 1 39 GLU QG 1 40 TYR HA . . 4.100 3.535 3.048 4.108 0.008 16 0 "[ . 1 . 2]" 1
557 1 39 GLU QG 1 40 TYR QD . . 3.640 3.262 2.329 3.693 0.053 8 0 "[ . 1 . 2]" 1
558 1 39 GLU QG 1 41 GLY H . . 5.340 4.884 4.551 5.365 0.025 8 0 "[ . 1 . 2]" 1
559 1 40 TYR H 1 40 TYR HB2 . . 3.720 2.429 2.319 2.552 . 0 0 "[ . 1 . 2]" 1
560 1 40 TYR H 1 40 TYR HB3 . . 3.810 3.637 3.574 3.712 . 0 0 "[ . 1 . 2]" 1
561 1 40 TYR H 1 40 TYR QD . . 4.250 3.357 3.085 3.697 . 0 0 "[ . 1 . 2]" 1
562 1 40 TYR HA 1 40 TYR HB3 . . 2.790 2.521 2.443 2.587 . 0 0 "[ . 1 . 2]" 1
563 1 40 TYR HA 1 40 TYR QD . . 3.890 2.089 1.845 2.359 . 0 0 "[ . 1 . 2]" 1
564 1 40 TYR HB2 1 41 GLY H . . 3.710 3.023 2.749 3.673 . 0 0 "[ . 1 . 2]" 1
565 1 40 TYR HB3 1 41 GLY H . . 4.660 3.861 3.547 4.263 . 0 0 "[ . 1 . 2]" 1
566 1 42 CYS HA 1 42 CYS QB . . 2.560 2.226 2.173 2.377 . 0 0 "[ . 1 . 2]" 1
567 1 42 CYS HA 1 44 GLY H . . 4.690 3.645 3.338 4.236 . 0 0 "[ . 1 . 2]" 1
568 1 42 CYS QB 1 43 ARG H . . 3.930 3.430 2.704 3.864 . 0 0 "[ . 1 . 2]" 1
569 1 42 CYS QB 1 44 GLY H . . 4.490 3.594 2.980 4.316 . 0 0 "[ . 1 . 2]" 1
570 1 42 CYS HB2 1 43 ARG H . . 4.550 3.700 2.763 4.338 . 0 0 "[ . 1 . 2]" 1
571 1 42 CYS HB2 1 44 GLY H . . 5.260 3.861 3.023 5.100 . 0 0 "[ . 1 . 2]" 1
572 1 42 CYS HB3 1 43 ARG H . . 4.550 4.185 3.500 4.390 . 0 0 "[ . 1 . 2]" 1
573 1 42 CYS HB3 1 44 GLY H . . 5.260 4.759 3.225 5.302 0.042 7 0 "[ . 1 . 2]" 1
574 1 43 ARG H 1 43 ARG HG2 . . 3.730 2.593 2.182 3.318 . 0 0 "[ . 1 . 2]" 1
575 1 43 ARG H 1 44 GLY H . . 2.530 2.248 1.967 2.569 0.039 20 0 "[ . 1 . 2]" 1
576 1 43 ARG HA 1 43 ARG HD2 . . 2.900 2.395 1.524 3.013 0.113 13 0 "[ . 1 . 2]" 1
577 1 43 ARG HA 1 43 ARG QD . . 2.470 1.736 1.521 2.056 . 0 0 "[ . 1 . 2]" 1
578 1 43 ARG HA 1 43 ARG HD3 . . 2.900 2.397 1.709 3.220 0.320 1 0 "[ . 1 . 2]" 1
579 1 43 ARG HA 1 43 ARG HG2 . . 3.290 2.996 2.681 3.152 . 0 0 "[ . 1 . 2]" 1
580 1 43 ARG QB 1 44 GLY H . . 4.450 2.858 2.385 3.240 . 0 0 "[ . 1 . 2]" 1
581 1 43 ARG HB2 1 44 GLY H . . 5.130 2.955 2.426 3.383 . 0 0 "[ . 1 . 2]" 1
582 1 43 ARG HB3 1 44 GLY H . . 5.130 3.820 2.918 4.180 . 0 0 "[ . 1 . 2]" 1
583 1 43 ARG HG2 1 44 GLY H . . 4.450 4.414 4.143 4.566 0.116 20 0 "[ . 1 . 2]" 1
584 1 44 GLY H 1 45 SER H . . 4.480 4.247 3.939 4.441 . 0 0 "[ . 1 . 2]" 1
585 1 45 SER H 1 46 ILE MG . . 5.500 3.561 3.342 3.826 . 0 0 "[ . 1 . 2]" 1
586 1 45 SER H 1 72 TRP HZ2 . . 4.210 3.386 2.764 4.099 . 0 0 "[ . 1 . 2]" 1
587 1 46 ILE H 1 46 ILE MD . . 4.560 3.911 3.792 4.038 . 0 0 "[ . 1 . 2]" 1
588 1 46 ILE H 1 46 ILE HG12 . . 3.500 2.351 2.178 2.593 . 0 0 "[ . 1 . 2]" 1
589 1 46 ILE H 1 46 ILE HG13 . . 3.740 2.750 2.536 2.951 . 0 0 "[ . 1 . 2]" 1
590 1 46 ILE H 1 72 TRP HH2 . . 4.960 4.707 4.326 4.982 0.022 3 0 "[ . 1 . 2]" 1
591 1 46 ILE HA 1 46 ILE MD . . 4.420 4.182 4.153 4.198 . 0 0 "[ . 1 . 2]" 1
592 1 46 ILE HA 1 46 ILE MG . . 3.690 2.295 2.138 2.392 . 0 0 "[ . 1 . 2]" 1
593 1 46 ILE HA 1 47 CYS QB . . 4.610 4.407 3.975 4.591 . 0 0 "[ . 1 . 2]" 1
594 1 46 ILE HA 1 70 SER QB . . 5.340 5.219 4.874 5.366 0.026 1 0 "[ . 1 . 2]" 1
595 1 46 ILE HB 1 46 ILE MD . . 3.560 2.369 2.287 2.415 . 0 0 "[ . 1 . 2]" 1
596 1 46 ILE HB 1 47 CYS H . . 3.720 2.497 2.053 2.848 . 0 0 "[ . 1 . 2]" 1
597 1 46 ILE HB 1 70 SER QB . . 4.350 4.346 4.109 4.439 0.089 19 0 "[ . 1 . 2]" 1
598 1 46 ILE MD 1 47 CYS H . . 4.420 4.289 3.787 4.499 0.079 19 0 "[ . 1 . 2]" 1
599 1 46 ILE MD 1 48 LEU HA . . 5.370 4.199 3.889 4.655 . 0 0 "[ . 1 . 2]" 1
600 1 46 ILE MD 1 51 ALA MB . . 4.580 2.744 2.219 3.476 . 0 0 "[ . 1 . 2]" 1
601 1 46 ILE MD 1 65 ILE H . . 5.500 5.259 4.828 5.520 0.020 4 0 "[ . 1 . 2]" 1
602 1 46 ILE MD 1 65 ILE HB . . 4.380 3.133 2.788 3.410 . 0 0 "[ . 1 . 2]" 1
603 1 46 ILE MD 1 65 ILE MD . . 4.560 4.325 3.760 4.566 0.006 9 0 "[ . 1 . 2]" 1
604 1 46 ILE MD 1 65 ILE MG . . 3.310 2.121 1.825 2.456 . 0 0 "[ . 1 . 2]" 1
605 1 46 ILE MD 1 66 SER H . . 5.500 5.226 4.917 5.518 0.018 2 0 "[ . 1 . 2]" 1
606 1 46 ILE MD 1 66 SER HA . . 5.470 4.788 4.432 5.121 . 0 0 "[ . 1 . 2]" 1
607 1 46 ILE MD 1 67 VAL H . . 5.500 4.068 3.396 4.485 . 0 0 "[ . 1 . 2]" 1
608 1 46 ILE MD 1 67 VAL HB . . 4.410 3.562 2.479 4.093 . 0 0 "[ . 1 . 2]" 1
609 1 46 ILE MD 1 67 VAL QG . . 3.490 2.148 1.794 2.819 . 0 0 "[ . 1 . 2]" 1
610 1 46 ILE MD 1 70 SER QB . . 4.040 3.440 2.919 3.711 . 0 0 "[ . 1 . 2]" 1
611 1 46 ILE MD 1 71 VAL HA . . 4.960 4.962 4.582 5.104 0.144 6 0 "[ . 1 . 2]" 1
612 1 46 ILE MD 1 72 TRP H . . 4.540 4.333 4.032 4.562 0.022 18 0 "[ . 1 . 2]" 1
613 1 46 ILE MD 1 72 TRP HB2 . . 4.960 3.357 3.016 3.678 . 0 0 "[ . 1 . 2]" 1
614 1 46 ILE MD 1 72 TRP HD1 . . 4.620 2.704 2.371 2.983 . 0 0 "[ . 1 . 2]" 1
615 1 46 ILE MD 1 72 TRP HE1 . . 4.990 2.587 2.302 2.757 . 0 0 "[ . 1 . 2]" 1
616 1 46 ILE HG12 1 72 TRP HZ2 . . 4.270 3.286 2.919 3.626 . 0 0 "[ . 1 . 2]" 1
617 1 46 ILE HG13 1 47 CYS HA . . 5.500 4.231 3.882 4.640 . 0 0 "[ . 1 . 2]" 1
618 1 46 ILE MG 1 47 CYS H . . 4.430 3.578 3.509 3.729 . 0 0 "[ . 1 . 2]" 1
619 1 46 ILE MG 1 67 VAL H . . 5.500 4.257 3.910 4.582 . 0 0 "[ . 1 . 2]" 1
620 1 46 ILE MG 1 67 VAL HB . . 4.740 4.295 3.523 4.541 . 0 0 "[ . 1 . 2]" 1
621 1 46 ILE MG 1 67 VAL QG . . 3.300 1.979 1.855 2.113 . 0 0 "[ . 1 . 2]" 1
622 1 46 ILE MG 1 68 ASN QD . . 5.340 4.208 3.159 5.074 . 0 0 "[ . 1 . 2]" 1
623 1 46 ILE MG 1 70 SER QB . . 5.340 2.284 2.029 2.479 . 0 0 "[ . 1 . 2]" 1
624 1 46 ILE MG 1 72 TRP HE1 . . 4.360 2.007 1.737 2.342 . 0 0 "[ . 1 . 2]" 1
625 1 46 ILE MG 1 72 TRP HZ2 . . 5.180 2.770 2.424 3.139 . 0 0 "[ . 1 . 2]" 1
626 1 47 CYS H 1 47 CYS HB2 . . 3.720 2.681 2.467 3.721 0.001 2 0 "[ . 1 . 2]" 1
627 1 47 CYS H 1 47 CYS QB . . 3.210 2.536 2.393 3.012 . 0 0 "[ . 1 . 2]" 1
628 1 47 CYS H 1 47 CYS HB3 . . 3.720 3.524 2.594 3.743 0.023 9 0 "[ . 1 . 2]" 1
629 1 47 CYS H 1 67 VAL QG . . 3.910 3.030 2.594 3.419 . 0 0 "[ . 1 . 2]" 1
630 1 47 CYS HA 1 47 CYS QB . . 2.580 2.344 2.183 2.437 . 0 0 "[ . 1 . 2]" 1
631 1 47 CYS HA 1 48 LEU H . . 3.250 2.150 2.123 2.234 . 0 0 "[ . 1 . 2]" 1
632 1 47 CYS HA 1 48 LEU HB2 . . 4.380 4.322 4.235 4.404 0.024 8 0 "[ . 1 . 2]" 1
633 1 47 CYS QB 1 48 LEU H . . 4.340 3.223 2.889 3.668 . 0 0 "[ . 1 . 2]" 1
634 1 47 CYS QB 1 49 SER HA . . 5.330 4.947 4.461 5.448 0.118 17 0 "[ . 1 . 2]" 1
635 1 47 CYS QB 1 49 SER QB . . 5.180 3.184 2.517 3.528 . 0 0 "[ . 1 . 2]" 1
636 1 47 CYS QB 1 51 ALA H . . 5.310 5.027 4.348 5.354 0.044 13 0 "[ . 1 . 2]" 1
637 1 47 CYS QB 1 67 VAL QG . . 4.560 3.814 3.337 4.650 0.090 2 0 "[ . 1 . 2]" 1
638 1 47 CYS HB2 1 67 VAL QG . . 5.270 4.066 3.427 5.254 . 0 0 "[ . 1 . 2]" 1
639 1 47 CYS HB3 1 67 VAL QG . . 5.270 4.884 4.011 5.367 0.097 7 0 "[ . 1 . 2]" 1
640 1 48 LEU H 1 48 LEU HB2 . . 3.620 2.235 2.173 2.317 . 0 0 "[ . 1 . 2]" 1
641 1 48 LEU H 1 48 LEU HB3 . . 3.560 3.520 3.483 3.567 0.007 2 0 "[ . 1 . 2]" 1
642 1 48 LEU H 1 51 ALA MB . . 4.410 4.259 3.996 4.454 0.044 19 0 "[ . 1 . 2]" 1
643 1 48 LEU HA 1 51 ALA H . . 4.330 2.893 2.551 3.350 . 0 0 "[ . 1 . 2]" 1
644 1 48 LEU HB3 1 49 SER HA . . 4.730 4.586 4.329 4.782 0.052 20 0 "[ . 1 . 2]" 1
645 1 49 SER H 1 49 SER QB . . 2.760 2.469 2.207 2.738 . 0 0 "[ . 1 . 2]" 1
646 1 49 SER H 1 51 ALA H . . 3.730 3.455 2.465 3.740 0.010 6 0 "[ . 1 . 2]" 1
647 1 49 SER HA 1 51 ALA H . . 5.270 4.300 3.912 4.581 . 0 0 "[ . 1 . 2]" 1
648 1 49 SER QB 1 50 LYS HA . . 4.810 4.307 4.115 4.692 . 0 0 "[ . 1 . 2]" 1
649 1 49 SER QB 1 50 LYS QB . . 4.760 3.787 3.446 4.580 . 0 0 "[ . 1 . 2]" 1
650 1 49 SER QB 1 50 LYS QD . . 3.720 2.250 1.941 3.257 . 0 0 "[ . 1 . 2]" 1
651 1 49 SER QB 1 50 LYS QE . . 5.040 3.519 2.410 4.257 . 0 0 "[ . 1 . 2]" 1
652 1 49 SER QB 1 50 LYS HG2 . . 4.310 4.123 3.220 4.418 0.108 14 0 "[ . 1 . 2]" 1
653 1 50 LYS H 1 50 LYS QB . . 3.190 3.055 2.756 3.214 0.024 6 0 "[ . 1 . 2]" 1
654 1 50 LYS H 1 50 LYS QD . . 2.630 2.221 1.694 2.811 0.181 3 0 "[ . 1 . 2]" 1
655 1 50 LYS H 1 50 LYS HG2 . . 4.200 2.440 1.845 2.840 . 0 0 "[ . 1 . 2]" 1
656 1 50 LYS H 1 51 ALA H . . 3.250 2.112 1.786 2.753 . 0 0 "[ . 1 . 2]" 1
657 1 50 LYS HA 1 50 LYS QD . . 3.980 3.682 2.643 4.001 0.021 3 0 "[ . 1 . 2]" 1
658 1 50 LYS QB 1 51 ALA H . . 4.320 3.898 3.191 3.990 . 0 0 "[ . 1 . 2]" 1
659 1 50 LYS HB2 1 51 ALA H . . 5.040 4.287 3.284 4.431 . 0 0 "[ . 1 . 2]" 1
660 1 50 LYS HB3 1 51 ALA H . . 5.040 4.502 4.343 4.600 . 0 0 "[ . 1 . 2]" 1
661 1 50 LYS QD 1 51 ALA H . . 5.340 4.061 3.485 5.078 . 0 0 "[ . 1 . 2]" 1
662 1 50 LYS QE 1 67 VAL QG . . 5.500 3.741 2.443 5.596 0.096 2 0 "[ . 1 . 2]" 1
663 1 50 LYS HG2 1 51 ALA H . . 3.670 3.404 2.726 3.709 0.039 10 0 "[ . 1 . 2]" 1
664 1 50 LYS HG3 1 68 ASN H . . 5.500 5.005 4.123 5.613 0.113 12 0 "[ . 1 . 2]" 1
665 1 51 ALA H 1 51 ALA MB . . 3.160 2.258 2.221 2.333 . 0 0 "[ . 1 . 2]" 1
666 1 51 ALA H 1 65 ILE MG . . 5.500 4.929 4.636 5.442 . 0 0 "[ . 1 . 2]" 1
667 1 51 ALA H 1 67 VAL HA . . 5.500 5.463 4.937 5.656 0.156 9 0 "[ . 1 . 2]" 1
668 1 51 ALA H 1 67 VAL QG . . 3.930 3.405 3.018 3.835 . 0 0 "[ . 1 . 2]" 1
669 1 51 ALA HA 1 52 VAL H . . 2.800 2.159 2.126 2.252 . 0 0 "[ . 1 . 2]" 1
670 1 51 ALA HA 1 52 VAL HB . . 4.740 4.660 4.591 4.711 . 0 0 "[ . 1 . 2]" 1
671 1 51 ALA HA 1 67 VAL HB . . 3.700 2.013 1.318 3.720 0.020 2 0 "[ . 1 . 2]" 1
672 1 51 ALA HA 1 67 VAL QG . . 4.330 2.525 2.053 2.757 . 0 0 "[ . 1 . 2]" 1
673 1 51 ALA MB 1 52 VAL H . . 3.390 3.109 2.683 3.381 . 0 0 "[ . 1 . 2]" 1
674 1 51 ALA MB 1 66 SER H . . 4.390 3.927 3.339 4.302 . 0 0 "[ . 1 . 2]" 1
675 1 51 ALA MB 1 68 ASN H . . 5.500 5.425 4.736 5.596 0.096 6 0 "[ . 1 . 2]" 1
676 1 52 VAL H 1 52 VAL HB . . 3.290 2.541 2.481 2.590 . 0 0 "[ . 1 . 2]" 1
677 1 52 VAL H 1 52 VAL MG2 . . 2.930 2.257 2.064 2.489 . 0 0 "[ . 1 . 2]" 1
678 1 52 VAL H 1 53 ILE H . . 4.660 4.416 4.229 4.543 . 0 0 "[ . 1 . 2]" 1
679 1 52 VAL H 1 65 ILE MG . . 4.440 4.025 3.692 4.367 . 0 0 "[ . 1 . 2]" 1
680 1 52 VAL H 1 67 VAL HA . . 4.140 3.512 3.007 3.999 . 0 0 "[ . 1 . 2]" 1
681 1 52 VAL HA 1 53 ILE H . . 3.000 2.136 2.118 2.167 . 0 0 "[ . 1 . 2]" 1
682 1 52 VAL HA 1 53 ILE HB . . 4.720 4.667 4.420 4.734 0.014 8 0 "[ . 1 . 2]" 1
683 1 52 VAL HA 1 53 ILE MD . . 5.280 5.133 4.866 5.265 . 0 0 "[ . 1 . 2]" 1
684 1 52 VAL HA 1 53 ILE QG . . 5.240 3.703 3.428 3.876 . 0 0 "[ . 1 . 2]" 1
685 1 52 VAL HA 1 66 SER H . . 5.420 4.822 4.662 5.030 . 0 0 "[ . 1 . 2]" 1
686 1 52 VAL HB 1 53 ILE H . . 4.840 4.245 4.062 4.392 . 0 0 "[ . 1 . 2]" 1
687 1 52 VAL HB 1 66 SER H . . 4.230 3.499 3.274 3.745 . 0 0 "[ . 1 . 2]" 1
688 1 52 VAL HB 1 66 SER QB . . 4.440 3.665 2.490 4.191 . 0 0 "[ . 1 . 2]" 1
689 1 52 VAL MG1 1 53 ILE H . . 4.450 2.857 2.486 3.141 . 0 0 "[ . 1 . 2]" 1
690 1 53 ILE H 1 53 ILE HB . . 3.390 2.555 2.321 2.613 . 0 0 "[ . 1 . 2]" 1
691 1 53 ILE H 1 53 ILE MD . . 3.890 3.671 3.542 3.931 0.041 12 0 "[ . 1 . 2]" 1
692 1 53 ILE H 1 53 ILE HG12 . . 4.210 3.452 3.257 3.785 . 0 0 "[ . 1 . 2]" 1
693 1 53 ILE H 1 53 ILE QG . . 3.610 2.211 2.004 2.661 . 0 0 "[ . 1 . 2]" 1
694 1 53 ILE H 1 53 ILE HG13 . . 4.210 2.238 2.021 2.718 . 0 0 "[ . 1 . 2]" 1
695 1 53 ILE H 1 53 ILE MG . . 4.180 3.783 3.690 3.800 . 0 0 "[ . 1 . 2]" 1
696 1 53 ILE H 1 65 ILE MG . . 5.210 4.880 4.333 5.243 0.033 2 0 "[ . 1 . 2]" 1
697 1 53 ILE HA 1 53 ILE MD . . 4.080 3.846 3.727 3.895 . 0 0 "[ . 1 . 2]" 1
698 1 53 ILE HA 1 53 ILE HG12 . . 4.000 2.575 2.331 2.667 . 0 0 "[ . 1 . 2]" 1
699 1 53 ILE HA 1 53 ILE HG13 . . 4.000 3.100 2.926 3.170 . 0 0 "[ . 1 . 2]" 1
700 1 53 ILE HA 1 54 THR H . . 3.070 2.164 2.111 2.213 . 0 0 "[ . 1 . 2]" 1
701 1 53 ILE HA 1 65 ILE MD . . 5.080 2.853 2.087 5.121 0.041 12 0 "[ . 1 . 2]" 1
702 1 53 ILE HA 1 65 ILE MG . . 4.240 3.731 3.172 4.237 . 0 0 "[ . 1 . 2]" 1
703 1 53 ILE HB 1 54 THR H . . 4.730 4.345 4.236 4.412 . 0 0 "[ . 1 . 2]" 1
704 1 53 ILE MD 1 65 ILE HA . . 5.500 5.526 5.324 5.599 0.099 14 0 "[ . 1 . 2]" 1
705 1 53 ILE MD 1 85 TRP HB2 . . 3.890 3.632 2.524 4.004 0.114 12 0 "[ . 1 . 2]" 1
706 1 53 ILE MD 1 85 TRP HD1 . . 5.500 5.309 4.241 5.588 0.088 7 0 "[ . 1 . 2]" 1
707 1 53 ILE MD 1 86 ILE HA . . 4.090 3.168 2.624 3.815 . 0 0 "[ . 1 . 2]" 1
708 1 53 ILE MD 1 89 ILE H . . 4.970 4.657 4.228 4.897 . 0 0 "[ . 1 . 2]" 1
709 1 53 ILE MD 1 90 GLU H . . 4.840 4.639 3.841 4.921 0.081 3 0 "[ . 1 . 2]" 1
710 1 53 ILE MD 1 90 GLU QG . . 4.660 4.071 3.372 4.564 . 0 0 "[ . 1 . 2]" 1
711 1 53 ILE QG 1 54 THR H . . 4.430 4.327 3.944 4.429 . 0 0 "[ . 1 . 2]" 1
712 1 53 ILE QG 1 65 ILE HA . . 4.310 4.003 3.782 4.093 . 0 0 "[ . 1 . 2]" 1
713 1 53 ILE HG12 1 54 THR H . . 5.250 4.658 4.133 4.834 . 0 0 "[ . 1 . 2]" 1
714 1 53 ILE HG13 1 54 THR H . . 5.250 5.145 4.985 5.231 . 0 0 "[ . 1 . 2]" 1
715 1 53 ILE MG 1 54 THR H . . 3.650 3.131 2.843 3.371 . 0 0 "[ . 1 . 2]" 1
716 1 53 ILE MG 1 64 ASP H . . 5.210 4.189 3.595 4.599 . 0 0 "[ . 1 . 2]" 1
717 1 54 THR H 1 54 THR HB . . 3.600 2.621 2.507 2.799 . 0 0 "[ . 1 . 2]" 1
718 1 54 THR H 1 54 THR MG . . 4.270 3.826 3.784 3.878 . 0 0 "[ . 1 . 2]" 1
719 1 54 THR H 1 64 ASP H . . 4.140 3.456 3.009 4.043 . 0 0 "[ . 1 . 2]" 1
720 1 54 THR H 1 64 ASP HA . . 5.300 4.776 4.499 5.006 . 0 0 "[ . 1 . 2]" 1
721 1 54 THR H 1 64 ASP QB . . 4.580 3.566 2.737 4.704 0.124 15 0 "[ . 1 . 2]" 1
722 1 54 THR H 1 65 ILE MG . . 5.330 4.891 4.435 5.319 . 0 0 "[ . 1 . 2]" 1
723 1 54 THR H 1 66 SER QB . . 5.340 5.105 4.676 5.418 0.078 2 0 "[ . 1 . 2]" 1
724 1 54 THR HB 1 64 ASP QB . . 3.660 2.111 1.270 3.667 0.007 15 0 "[ . 1 . 2]" 1
725 1 54 THR HB 1 65 ILE MD . . 5.500 5.322 4.916 5.633 0.133 18 0 "[ . 1 . 2]" 1
726 1 54 THR MG 1 64 ASP H . . 4.780 4.135 3.668 4.529 . 0 0 "[ . 1 . 2]" 1
727 1 54 THR MG 1 64 ASP QB . . 4.100 3.231 2.569 4.216 0.116 9 0 "[ . 1 . 2]" 1
728 1 56 HIS H 1 56 HIS HB2 . . 3.670 2.422 2.197 3.544 . 0 0 "[ . 1 . 2]" 1
729 1 56 HIS H 1 56 HIS QB . . 3.040 2.242 2.144 2.336 . 0 0 "[ . 1 . 2]" 1
730 1 56 HIS H 1 56 HIS HB3 . . 3.670 2.786 2.278 2.994 . 0 0 "[ . 1 . 2]" 1
731 1 56 HIS H 1 62 ARG QB . . 4.100 3.928 3.463 4.181 0.081 6 0 "[ . 1 . 2]" 1
732 1 56 HIS H 1 62 ARG QG . . 4.240 4.037 3.475 4.325 0.085 14 0 "[ . 1 . 2]" 1
733 1 56 HIS H 1 63 PHE H . . 4.780 4.739 4.455 4.952 0.172 6 0 "[ . 1 . 2]" 1
734 1 56 HIS H 1 63 PHE HA . . 3.940 2.679 2.342 2.929 . 0 0 "[ . 1 . 2]" 1
735 1 56 HIS H 1 63 PHE HB2 . . 5.500 5.250 4.247 5.546 0.046 11 0 "[ . 1 . 2]" 1
736 1 56 HIS H 1 63 PHE QB . . 4.830 4.573 3.748 4.848 0.018 10 0 "[ . 1 . 2]" 1
737 1 56 HIS H 1 63 PHE HB3 . . 5.500 5.055 4.171 5.661 0.161 12 0 "[ . 1 . 2]" 1
738 1 56 HIS H 1 64 ASP QB . . 5.340 4.848 4.168 5.460 0.120 15 0 "[ . 1 . 2]" 1
739 1 56 HIS HA 1 57 ASP QB . . 4.870 4.275 3.976 4.714 . 0 0 "[ . 1 . 2]" 1
740 1 56 HIS HA 1 62 ARG QB . . 5.340 4.829 3.780 5.306 . 0 0 "[ . 1 . 2]" 1
741 1 56 HIS QB 1 57 ASP H . . 4.360 3.385 2.562 3.846 . 0 0 "[ . 1 . 2]" 1
742 1 56 HIS QB 1 59 ASP QB . . 4.090 2.084 1.377 2.815 . 0 0 "[ . 1 . 2]" 1
743 1 56 HIS QB 1 62 ARG H . . 3.980 3.562 3.133 3.842 . 0 0 "[ . 1 . 2]" 1
744 1 56 HIS QB 1 62 ARG QB . . 4.030 2.166 1.537 2.582 . 0 0 "[ . 1 . 2]" 1
745 1 56 HIS QB 1 62 ARG QD . . 3.570 3.032 1.782 3.955 0.385 17 0 "[ . 1 . 2]" 1
746 1 56 HIS QB 1 62 ARG QG . . 4.200 2.438 1.755 3.304 . 0 0 "[ . 1 . 2]" 1
747 1 56 HIS QB 1 63 PHE H . . 4.360 4.220 3.946 4.513 0.153 14 0 "[ . 1 . 2]" 1
748 1 56 HIS HB2 1 62 ARG H . . 4.570 4.494 4.179 4.618 0.048 18 0 "[ . 1 . 2]" 1
749 1 56 HIS HB3 1 62 ARG H . . 4.570 3.746 3.200 4.143 . 0 0 "[ . 1 . 2]" 1
750 1 56 HIS HD2 1 57 ASP H . . 4.840 3.499 2.780 4.866 0.026 5 0 "[ . 1 . 2]" 1
751 1 56 HIS HD2 1 58 PHE H . . 4.000 2.614 1.804 3.323 . 0 0 "[ . 1 . 2]" 1
752 1 56 HIS HD2 1 58 PHE HB2 . . 4.210 3.449 2.367 4.315 0.105 10 0 "[ . 1 . 2]" 1
753 1 56 HIS HD2 1 58 PHE QB . . 3.610 2.668 1.835 3.801 0.191 6 0 "[ . 1 . 2]" 1
754 1 56 HIS HD2 1 58 PHE HB3 . . 4.210 3.331 1.842 4.305 0.095 4 0 "[ . 1 . 2]" 1
755 1 56 HIS HD2 1 59 ASP H . . 3.200 2.093 1.307 3.032 . 0 0 "[ . 1 . 2]" 1
756 1 57 ASP H 1 57 ASP HB2 . . 4.020 2.934 2.451 3.614 . 0 0 "[ . 1 . 2]" 1
757 1 57 ASP H 1 57 ASP QB . . 3.360 2.505 2.239 3.059 . 0 0 "[ . 1 . 2]" 1
758 1 57 ASP H 1 57 ASP HB3 . . 4.020 2.932 2.411 3.664 . 0 0 "[ . 1 . 2]" 1
759 1 57 ASP H 1 58 PHE H . . 3.590 2.639 2.088 3.632 0.042 5 0 "[ . 1 . 2]" 1
760 1 57 ASP H 1 59 ASP H . . 3.550 3.613 3.184 3.708 0.158 13 0 "[ . 1 . 2]" 1
761 1 57 ASP HA 1 57 ASP QB . . 2.620 2.301 2.167 2.430 . 0 0 "[ . 1 . 2]" 1
762 1 57 ASP QB 1 58 PHE H . . 3.670 2.594 1.795 3.506 . 0 0 "[ . 1 . 2]" 1
763 1 57 ASP QB 1 58 PHE HA . . 5.180 4.097 3.694 4.435 . 0 0 "[ . 1 . 2]" 1
764 1 58 PHE H 1 58 PHE HB2 . . 3.900 2.509 2.331 2.844 . 0 0 "[ . 1 . 2]" 1
765 1 58 PHE H 1 58 PHE HB3 . . 3.900 2.999 2.420 3.610 . 0 0 "[ . 1 . 2]" 1
766 1 58 PHE H 1 59 ASP H . . 3.520 2.504 2.184 2.707 . 0 0 "[ . 1 . 2]" 1
767 1 58 PHE H 1 59 ASP QB . . 4.960 4.468 3.999 4.946 . 0 0 "[ . 1 . 2]" 1
768 1 58 PHE HA 1 58 PHE QB . . 2.590 2.384 2.315 2.504 . 0 0 "[ . 1 . 2]" 1
769 1 58 PHE HA 1 60 GLU QG . . 5.500 5.186 3.647 5.607 0.107 16 0 "[ . 1 . 2]" 1
770 1 58 PHE QB 1 59 ASP H . . 3.200 2.970 2.313 3.269 0.069 8 0 "[ . 1 . 2]" 1
771 1 59 ASP H 1 59 ASP HB2 . . 4.080 2.634 2.283 2.948 . 0 0 "[ . 1 . 2]" 1
772 1 59 ASP H 1 59 ASP HB3 . . 4.080 3.351 2.655 3.845 . 0 0 "[ . 1 . 2]" 1
773 1 59 ASP HA 1 62 ARG H . . 5.140 4.335 3.980 4.757 . 0 0 "[ . 1 . 2]" 1
774 1 59 ASP HA 1 62 ARG QB . . 5.190 4.217 3.913 4.760 . 0 0 "[ . 1 . 2]" 1
775 1 59 ASP QB 1 60 GLU H . . 3.350 3.317 2.555 3.684 0.334 17 0 "[ . 1 . 2]" 1
776 1 59 ASP QB 1 62 ARG H . . 3.410 2.500 2.072 2.947 . 0 0 "[ . 1 . 2]" 1
777 1 59 ASP QB 1 62 ARG QB . . 2.590 1.754 1.421 2.135 . 0 0 "[ . 1 . 2]" 1
778 1 59 ASP HB2 1 62 ARG H . . 3.910 3.625 2.989 4.132 0.222 17 0 "[ . 1 . 2]" 1
779 1 59 ASP HB3 1 62 ARG H . . 3.910 2.576 2.084 3.206 . 0 0 "[ . 1 . 2]" 1
780 1 60 GLU H 1 60 GLU HB2 . . 3.840 2.543 2.271 3.640 . 0 0 "[ . 1 . 2]" 1
781 1 60 GLU H 1 60 GLU QB . . 3.260 2.492 2.246 3.391 0.131 13 0 "[ . 1 . 2]" 1
782 1 60 GLU H 1 60 GLU HB3 . . 3.840 3.651 3.544 4.046 0.206 13 0 "[ . 1 . 2]" 1
783 1 60 GLU H 1 60 GLU QG . . 3.150 2.436 2.091 2.861 . 0 0 "[ . 1 . 2]" 1
784 1 60 GLU H 1 61 CYS H . . 2.920 2.361 1.629 3.063 0.143 13 0 "[ . 1 . 2]" 1
785 1 60 GLU H 1 62 ARG H . . 3.990 3.759 2.923 4.045 0.055 20 0 "[ . 1 . 2]" 1
786 1 60 GLU HA 1 60 GLU QG . . 3.640 2.510 2.361 2.798 . 0 0 "[ . 1 . 2]" 1
787 1 60 GLU QB 1 61 CYS H . . 3.610 2.948 2.516 3.514 . 0 0 "[ . 1 . 2]" 1
788 1 60 GLU QG 1 61 CYS H . . 4.710 4.155 3.883 4.473 . 0 0 "[ . 1 . 2]" 1
789 1 61 CYS H 1 61 CYS HB2 . . 2.880 2.568 2.456 2.704 . 0 0 "[ . 1 . 2]" 1
790 1 61 CYS H 1 61 CYS HB3 . . 3.900 3.687 3.611 3.802 . 0 0 "[ . 1 . 2]" 1
791 1 61 CYS H 1 62 ARG QB . . 4.730 3.883 3.657 4.215 . 0 0 "[ . 1 . 2]" 1
792 1 61 CYS H 1 75 ARG HG3 . . 5.500 4.760 3.957 5.594 0.094 18 0 "[ . 1 . 2]" 1
793 1 61 CYS HA 1 76 ALA MB . . 4.850 3.269 2.824 3.692 . 0 0 "[ . 1 . 2]" 1
794 1 61 CYS HB2 1 62 ARG H . . 4.330 3.497 2.980 3.932 . 0 0 "[ . 1 . 2]" 1
795 1 61 CYS HB2 1 75 ARG HG2 . . 3.130 2.746 2.010 3.144 0.014 3 0 "[ . 1 . 2]" 1
796 1 61 CYS HB2 1 76 ALA H . . 4.310 3.701 3.201 4.328 0.018 14 0 "[ . 1 . 2]" 1
797 1 61 CYS HB3 1 62 ARG H . . 4.620 4.281 3.936 4.478 . 0 0 "[ . 1 . 2]" 1
798 1 61 CYS HB3 1 75 ARG HG2 . . 4.440 2.981 2.497 3.612 . 0 0 "[ . 1 . 2]" 1
799 1 61 CYS HB3 1 76 ALA H . . 3.050 2.711 2.052 3.087 0.037 7 0 "[ . 1 . 2]" 1
800 1 61 CYS HB3 1 76 ALA MB . . 3.260 2.209 1.575 3.277 0.017 10 0 "[ . 1 . 2]" 1
801 1 62 ARG H 1 62 ARG HB2 . . 3.750 2.877 2.503 3.194 . 0 0 "[ . 1 . 2]" 1
802 1 62 ARG H 1 62 ARG QB . . 3.100 2.368 2.250 2.577 . 0 0 "[ . 1 . 2]" 1
803 1 62 ARG H 1 62 ARG HB3 . . 3.750 2.541 2.386 2.770 . 0 0 "[ . 1 . 2]" 1
804 1 62 ARG H 1 62 ARG QD . . 5.170 4.786 4.391 5.137 . 0 0 "[ . 1 . 2]" 1
805 1 62 ARG H 1 62 ARG QG . . 4.930 4.000 3.889 4.106 . 0 0 "[ . 1 . 2]" 1
806 1 62 ARG H 1 63 PHE H . . 4.740 4.488 4.369 4.595 . 0 0 "[ . 1 . 2]" 1
807 1 62 ARG H 1 75 ARG QD . . 5.340 4.734 4.023 5.290 . 0 0 "[ . 1 . 2]" 1
808 1 62 ARG H 1 75 ARG HG2 . . 4.990 4.004 3.548 4.486 . 0 0 "[ . 1 . 2]" 1
809 1 62 ARG H 1 75 ARG HG3 . . 4.540 3.724 2.721 4.569 0.029 18 0 "[ . 1 . 2]" 1
810 1 62 ARG HA 1 63 PHE H . . 3.410 2.151 2.065 2.218 . 0 0 "[ . 1 . 2]" 1
811 1 62 ARG HA 1 75 ARG HG2 . . 4.380 2.959 2.335 3.190 . 0 0 "[ . 1 . 2]" 1
812 1 62 ARG HA 1 76 ALA H . . 4.200 3.479 2.991 3.983 . 0 0 "[ . 1 . 2]" 1
813 1 62 ARG QB 1 62 ARG QD . . 3.300 2.324 1.944 2.694 . 0 0 "[ . 1 . 2]" 1
814 1 62 ARG QB 1 63 PHE H . . 4.240 3.539 3.404 3.707 . 0 0 "[ . 1 . 2]" 1
815 1 62 ARG QD 1 63 PHE H . . 4.150 4.049 2.959 4.280 0.130 20 0 "[ . 1 . 2]" 1
816 1 62 ARG QD 1 75 ARG HG3 . . 5.340 3.748 2.215 5.381 0.041 14 0 "[ . 1 . 2]" 1
817 1 62 ARG HD2 1 63 PHE H . . 4.890 4.699 4.087 4.988 0.098 8 0 "[ . 1 . 2]" 1
818 1 62 ARG HD3 1 63 PHE H . . 4.890 4.470 3.026 5.025 0.135 16 0 "[ . 1 . 2]" 1
819 1 62 ARG QG 1 63 PHE H . . 3.400 2.285 2.060 2.628 . 0 0 "[ . 1 . 2]" 1
820 1 62 ARG QG 1 64 ASP H . . 5.280 4.134 3.513 4.945 . 0 0 "[ . 1 . 2]" 1
821 1 62 ARG QG 1 75 ARG HA . . 4.710 3.608 2.745 4.620 . 0 0 "[ . 1 . 2]" 1
822 1 62 ARG QG 1 75 ARG HG3 . . 3.820 3.201 2.230 3.943 0.123 17 0 "[ . 1 . 2]" 1
823 1 62 ARG HG2 1 63 PHE H . . 4.240 2.948 2.074 4.332 0.092 18 0 "[ . 1 . 2]" 1
824 1 62 ARG HG3 1 63 PHE H . . 4.240 2.638 2.086 3.524 . 0 0 "[ . 1 . 2]" 1
825 1 63 PHE H 1 63 PHE HB2 . . 4.010 2.870 2.516 4.004 . 0 0 "[ . 1 . 2]" 1
826 1 63 PHE H 1 63 PHE HB3 . . 4.010 3.584 2.703 3.877 . 0 0 "[ . 1 . 2]" 1
827 1 63 PHE H 1 64 ASP H . . 5.120 4.209 4.085 4.366 . 0 0 "[ . 1 . 2]" 1
828 1 63 PHE H 1 74 LEU H . . 3.550 3.510 3.271 3.635 0.085 4 0 "[ . 1 . 2]" 1
829 1 63 PHE H 1 75 ARG HA . . 4.640 3.021 2.590 3.471 . 0 0 "[ . 1 . 2]" 1
830 1 63 PHE H 1 75 ARG HG2 . . 4.830 4.889 4.290 5.082 0.252 19 0 "[ . 1 . 2]" 1
831 1 63 PHE HA 1 64 ASP H . . 3.340 2.131 2.071 2.351 . 0 0 "[ . 1 . 2]" 1
832 1 63 PHE HA 1 65 ILE MD . . 5.500 4.746 4.270 5.538 0.038 15 0 "[ . 1 . 2]" 1
833 1 63 PHE QB 1 64 ASP H . . 3.820 3.237 2.720 3.801 . 0 0 "[ . 1 . 2]" 1
834 1 63 PHE QB 1 65 ILE MD . . 4.460 2.988 2.422 4.150 . 0 0 "[ . 1 . 2]" 1
835 1 63 PHE QB 1 85 TRP HD1 . . 3.550 3.066 2.698 3.507 . 0 0 "[ . 1 . 2]" 1
836 1 63 PHE HB2 1 64 ASP H . . 4.470 4.137 2.763 4.463 . 0 0 "[ . 1 . 2]" 1
837 1 63 PHE HB2 1 85 TRP HD1 . . 4.230 3.346 2.743 4.344 0.114 2 0 "[ . 1 . 2]" 1
838 1 63 PHE HB3 1 64 ASP H . . 4.470 3.533 3.179 4.191 . 0 0 "[ . 1 . 2]" 1
839 1 63 PHE HB3 1 85 TRP HD1 . . 4.230 3.962 3.023 4.331 0.101 16 0 "[ . 1 . 2]" 1
840 1 64 ASP H 1 64 ASP QB . . 3.160 2.431 2.249 3.069 . 0 0 "[ . 1 . 2]" 1
841 1 64 ASP H 1 65 ILE H . . 4.810 4.341 4.195 4.494 . 0 0 "[ . 1 . 2]" 1
842 1 64 ASP HA 1 64 ASP QB . . 2.580 2.335 2.157 2.389 . 0 0 "[ . 1 . 2]" 1
843 1 64 ASP HA 1 65 ILE H . . 3.230 2.131 2.037 2.190 . 0 0 "[ . 1 . 2]" 1
844 1 64 ASP HA 1 65 ILE QG . . 4.070 3.836 3.545 4.253 0.183 18 0 "[ . 1 . 2]" 1
845 1 64 ASP HA 1 72 TRP H . . 4.550 4.297 3.913 4.614 0.064 2 0 "[ . 1 . 2]" 1
846 1 64 ASP HA 1 73 TYR QB . . 4.330 4.306 4.053 4.470 0.140 14 0 "[ . 1 . 2]" 1
847 1 64 ASP HA 1 74 LEU H . . 3.550 3.047 2.611 3.455 . 0 0 "[ . 1 . 2]" 1
848 1 64 ASP QB 1 65 ILE H . . 3.560 3.593 3.164 3.915 0.355 17 0 "[ . 1 . 2]" 1
849 1 64 ASP QB 1 71 VAL QG . . 3.780 3.054 1.819 3.926 0.146 2 0 "[ . 1 . 2]" 1
850 1 64 ASP QB 1 73 TYR QD . . 3.590 3.282 2.002 3.679 0.089 5 0 "[ . 1 . 2]" 1
851 1 64 ASP QB 1 73 TYR QE . . 4.920 4.050 3.117 4.839 . 0 0 "[ . 1 . 2]" 1
852 1 65 ILE H 1 65 ILE HB . . 3.700 2.644 2.535 2.808 . 0 0 "[ . 1 . 2]" 1
853 1 65 ILE H 1 65 ILE MD . . 4.450 2.927 1.931 3.503 . 0 0 "[ . 1 . 2]" 1
854 1 65 ILE H 1 65 ILE QG . . 4.320 2.545 2.048 3.345 . 0 0 "[ . 1 . 2]" 1
855 1 65 ILE H 1 71 VAL QG . . 4.710 3.685 3.437 4.083 . 0 0 "[ . 1 . 2]" 1
856 1 65 ILE H 1 72 TRP HB2 . . 4.110 2.945 2.645 3.245 . 0 0 "[ . 1 . 2]" 1
857 1 65 ILE H 1 72 TRP HD1 . . 5.320 4.943 4.406 5.261 . 0 0 "[ . 1 . 2]" 1
858 1 65 ILE H 1 73 TYR QD . . 5.500 5.244 4.892 5.557 0.057 8 0 "[ . 1 . 2]" 1
859 1 65 ILE HA 1 65 ILE MD . . 4.290 2.288 1.766 3.401 . 0 0 "[ . 1 . 2]" 1
860 1 65 ILE HA 1 65 ILE HG12 . . 4.000 3.322 3.057 3.656 . 0 0 "[ . 1 . 2]" 1
861 1 65 ILE HA 1 65 ILE HG13 . . 4.000 3.488 2.411 3.789 . 0 0 "[ . 1 . 2]" 1
862 1 65 ILE HA 1 65 ILE MG . . 2.650 2.336 2.301 2.423 . 0 0 "[ . 1 . 2]" 1
863 1 65 ILE HA 1 66 SER H . . 3.000 2.190 2.125 2.271 . 0 0 "[ . 1 . 2]" 1
864 1 65 ILE HB 1 66 SER HA . . 4.930 4.668 4.333 4.862 . 0 0 "[ . 1 . 2]" 1
865 1 65 ILE HB 1 72 TRP H . . 3.410 2.890 2.587 3.447 0.037 18 0 "[ . 1 . 2]" 1
866 1 65 ILE HB 1 72 TRP HB2 . . 5.500 1.622 1.447 1.922 . 0 0 "[ . 1 . 2]" 1
867 1 65 ILE HB 1 72 TRP HB3 . . 4.560 3.267 3.042 3.549 . 0 0 "[ . 1 . 2]" 1
868 1 65 ILE HB 1 72 TRP HE1 . . 5.500 5.511 5.098 5.575 0.075 14 0 "[ . 1 . 2]" 1
869 1 65 ILE MD 1 66 SER H . . 5.080 4.076 3.480 5.026 . 0 0 "[ . 1 . 2]" 1
870 1 65 ILE MD 1 72 TRP H . . 4.830 4.772 3.751 5.063 0.233 19 0 "[ . 1 . 2]" 1
871 1 65 ILE MG 1 66 SER H . . 3.270 3.068 2.417 3.295 0.025 3 0 "[ . 1 . 2]" 1
872 1 65 ILE MG 1 66 SER HA . . 5.130 3.857 3.492 4.073 . 0 0 "[ . 1 . 2]" 1
873 1 65 ILE MG 1 66 SER HB2 . . 5.500 5.480 5.010 5.670 0.170 8 0 "[ . 1 . 2]" 1
874 1 65 ILE MG 1 66 SER HB3 . . 5.500 5.248 4.815 5.605 0.105 5 0 "[ . 1 . 2]" 1
875 1 65 ILE MG 1 67 VAL H . . 4.520 3.915 3.430 4.323 . 0 0 "[ . 1 . 2]" 1
876 1 65 ILE MG 1 67 VAL HB . . 4.720 3.580 2.860 4.796 0.076 2 0 "[ . 1 . 2]" 1
877 1 65 ILE MG 1 70 SER QB . . 5.340 5.089 4.583 5.349 0.009 5 0 "[ . 1 . 2]" 1
878 1 65 ILE MG 1 72 TRP H . . 5.430 3.920 3.663 4.298 . 0 0 "[ . 1 . 2]" 1
879 1 65 ILE MG 1 72 TRP HB2 . . 4.250 3.267 3.050 3.597 . 0 0 "[ . 1 . 2]" 1
880 1 65 ILE MG 1 72 TRP HB3 . . 5.130 4.524 4.318 4.852 . 0 0 "[ . 1 . 2]" 1
881 1 65 ILE MG 1 72 TRP HD1 . . 4.690 3.828 3.217 4.295 . 0 0 "[ . 1 . 2]" 1
882 1 66 SER H 1 66 SER QB . . 3.430 2.867 2.327 3.186 . 0 0 "[ . 1 . 2]" 1
883 1 66 SER H 1 67 VAL HA . . 5.500 5.183 4.991 5.363 . 0 0 "[ . 1 . 2]" 1
884 1 66 SER HA 1 67 VAL H . . 2.990 2.116 2.094 2.155 . 0 0 "[ . 1 . 2]" 1
885 1 66 SER HA 1 67 VAL QG . . 4.250 3.710 3.374 3.932 . 0 0 "[ . 1 . 2]" 1
886 1 66 SER HA 1 70 SER H . . 5.010 4.809 4.353 5.125 0.115 17 0 "[ . 1 . 2]" 1
887 1 66 SER HA 1 71 VAL HB . . 5.500 4.813 3.092 5.379 . 0 0 "[ . 1 . 2]" 1
888 1 66 SER HA 1 71 VAL MG1 . . 4.340 3.516 3.032 4.603 0.263 7 0 "[ . 1 . 2]" 1
889 1 66 SER HA 1 71 VAL QG . . 3.160 2.776 2.436 3.135 . 0 0 "[ . 1 . 2]" 1
890 1 66 SER HA 1 71 VAL MG2 . . 4.340 2.922 2.562 3.318 . 0 0 "[ . 1 . 2]" 1
891 1 66 SER HA 1 72 TRP H . . 4.100 3.405 3.268 3.596 . 0 0 "[ . 1 . 2]" 1
892 1 66 SER QB 1 71 VAL QG . . 3.660 2.305 1.907 3.108 . 0 0 "[ . 1 . 2]" 1
893 1 66 SER HB2 1 71 VAL MG1 . . 5.500 4.131 2.378 5.294 . 0 0 "[ . 1 . 2]" 1
894 1 66 SER HB2 1 71 VAL MG2 . . 5.500 3.081 2.345 4.421 . 0 0 "[ . 1 . 2]" 1
895 1 66 SER HB2 1 72 TRP H . . 5.500 5.571 4.555 5.742 0.242 19 0 "[ . 1 . 2]" 1
896 1 66 SER HB3 1 71 VAL MG1 . . 5.500 3.143 2.370 4.640 . 0 0 "[ . 1 . 2]" 1
897 1 66 SER HB3 1 71 VAL MG2 . . 5.500 2.668 1.946 3.662 . 0 0 "[ . 1 . 2]" 1
898 1 66 SER HB3 1 72 TRP H . . 5.500 4.706 4.334 5.649 0.149 9 0 "[ . 1 . 2]" 1
899 1 67 VAL H 1 67 VAL HB . . 4.120 3.260 2.722 3.737 . 0 0 "[ . 1 . 2]" 1
900 1 67 VAL H 1 67 VAL QG . . 3.450 2.315 1.997 2.517 . 0 0 "[ . 1 . 2]" 1
901 1 67 VAL H 1 70 SER QB . . 4.680 3.387 3.152 3.811 . 0 0 "[ . 1 . 2]" 1
902 1 67 VAL H 1 71 VAL HA . . 4.030 3.507 3.207 3.756 . 0 0 "[ . 1 . 2]" 1
903 1 67 VAL H 1 71 VAL QG . . 5.440 3.938 3.609 4.505 . 0 0 "[ . 1 . 2]" 1
904 1 67 VAL HB 1 68 ASN H . . 4.510 3.991 1.856 4.301 . 0 0 "[ . 1 . 2]" 1
905 1 67 VAL QG 1 68 ASN H . . 4.650 2.355 1.384 2.878 . 0 0 "[ . 1 . 2]" 1
906 1 67 VAL QG 1 68 ASN HB2 . . 4.650 2.982 2.572 4.390 . 0 0 "[ . 1 . 2]" 1
907 1 67 VAL QG 1 68 ASN QB . . 3.870 2.849 2.536 3.378 . 0 0 "[ . 1 . 2]" 1
908 1 67 VAL QG 1 68 ASN HB3 . . 4.650 3.989 3.482 4.674 0.024 2 0 "[ . 1 . 2]" 1
909 1 67 VAL QG 1 68 ASN QD . . 2.970 2.055 1.376 2.984 0.014 17 0 "[ . 1 . 2]" 1
910 1 67 VAL QG 1 69 ASP H . . 4.350 3.978 2.361 4.268 . 0 0 "[ . 1 . 2]" 1
911 1 67 VAL QG 1 70 SER H . . 3.520 3.263 2.127 3.649 0.129 18 0 "[ . 1 . 2]" 1
912 1 67 VAL QG 1 70 SER QB . . 4.030 2.369 1.696 2.973 . 0 0 "[ . 1 . 2]" 1
913 1 67 VAL QG 1 72 TRP HE1 . . 4.600 3.597 3.260 3.811 . 0 0 "[ . 1 . 2]" 1
914 1 68 ASN H 1 68 ASN QD . . 3.550 3.032 2.078 3.551 0.001 17 0 "[ . 1 . 2]" 1
915 1 68 ASN QB 1 69 ASP H . . 4.200 3.439 1.841 3.770 . 0 0 "[ . 1 . 2]" 1
916 1 68 ASN HB2 1 69 ASP HA . . 5.500 5.442 4.356 5.764 0.264 20 0 "[ . 1 . 2]" 1
917 1 68 ASN HB2 1 70 SER H . . 5.500 3.508 2.832 4.836 . 0 0 "[ . 1 . 2]" 1
918 1 68 ASN HB3 1 69 ASP HA . . 5.500 5.574 4.640 5.867 0.367 17 0 "[ . 1 . 2]" 1
919 1 68 ASN HB3 1 70 SER H . . 5.500 4.251 3.467 5.486 . 0 0 "[ . 1 . 2]" 1
920 1 69 ASP H 1 69 ASP QB . . 3.160 3.010 2.529 3.335 0.175 4 0 "[ . 1 . 2]" 1
921 1 69 ASP QB 1 70 SER HA . . 5.340 4.425 4.138 4.668 . 0 0 "[ . 1 . 2]" 1
922 1 70 SER H 1 70 SER QB . . 2.940 2.509 2.425 2.809 . 0 0 "[ . 1 . 2]" 1
923 1 70 SER HA 1 71 VAL H . . 3.070 2.151 2.130 2.179 . 0 0 "[ . 1 . 2]" 1
924 1 70 SER HA 1 72 TRP HE1 . . 5.100 4.451 3.864 4.878 . 0 0 "[ . 1 . 2]" 1
925 1 70 SER QB 1 72 TRP H . . 5.340 5.032 4.776 5.365 0.025 2 0 "[ . 1 . 2]" 1
926 1 70 SER QB 1 72 TRP HE1 . . 4.350 2.129 1.607 2.667 . 0 0 "[ . 1 . 2]" 1
927 1 71 VAL H 1 71 VAL HB . . 2.900 2.626 2.524 2.972 0.072 7 0 "[ . 1 . 2]" 1
928 1 71 VAL H 1 71 VAL MG1 . . 4.030 3.645 1.889 3.847 . 0 0 "[ . 1 . 2]" 1
929 1 71 VAL H 1 71 VAL QG . . 3.450 2.404 1.884 2.695 . 0 0 "[ . 1 . 2]" 1
930 1 71 VAL H 1 71 VAL MG2 . . 4.030 2.614 2.226 3.900 . 0 0 "[ . 1 . 2]" 1
931 1 71 VAL H 1 72 TRP H . . 5.000 4.360 4.215 4.441 . 0 0 "[ . 1 . 2]" 1
932 1 71 VAL HA 1 72 TRP H . . 3.100 2.130 2.095 2.172 . 0 0 "[ . 1 . 2]" 1
933 1 71 VAL HA 1 72 TRP HA . . 5.500 4.378 4.360 4.390 . 0 0 "[ . 1 . 2]" 1
934 1 71 VAL HB 1 72 TRP H . . 4.260 4.229 4.158 4.315 0.055 7 0 "[ . 1 . 2]" 1
935 1 71 VAL HB 1 73 TYR QE . . 3.890 3.635 3.134 4.044 0.154 7 0 "[ . 1 . 2]" 1
936 1 71 VAL QG 1 72 TRP H . . 3.360 2.762 2.596 2.884 . 0 0 "[ . 1 . 2]" 1
937 1 71 VAL QG 1 72 TRP HA . . 4.140 3.772 3.588 3.955 . 0 0 "[ . 1 . 2]" 1
938 1 71 VAL QG 1 72 TRP HD1 . . 5.080 4.191 3.964 4.340 . 0 0 "[ . 1 . 2]" 1
939 1 71 VAL QG 1 73 TYR QD . . 3.750 3.246 2.349 3.755 0.005 6 0 "[ . 1 . 2]" 1
940 1 71 VAL QG 1 73 TYR QE . . 3.710 2.626 1.757 3.060 . 0 0 "[ . 1 . 2]" 1
941 1 71 VAL MG1 1 72 TRP H . . 4.200 2.934 2.630 4.119 . 0 0 "[ . 1 . 2]" 1
942 1 71 VAL MG2 1 72 TRP H . . 4.200 3.962 2.759 4.162 . 0 0 "[ . 1 . 2]" 1
943 1 72 TRP H 1 72 TRP HB2 . . 3.830 2.502 2.402 2.620 . 0 0 "[ . 1 . 2]" 1
944 1 72 TRP H 1 72 TRP HB3 . . 4.060 3.695 3.638 3.762 . 0 0 "[ . 1 . 2]" 1
945 1 72 TRP H 1 72 TRP HD1 . . 4.110 2.583 2.404 2.748 . 0 0 "[ . 1 . 2]" 1
946 1 72 TRP H 1 73 TYR H . . 5.410 4.217 4.053 4.509 . 0 0 "[ . 1 . 2]" 1
947 1 72 TRP HA 1 73 TYR HA . . 5.050 4.419 4.384 4.456 . 0 0 "[ . 1 . 2]" 1
948 1 72 TRP HB3 1 73 TYR H . . 3.910 3.539 2.395 3.925 0.015 15 0 "[ . 1 . 2]" 1
949 1 73 TYR H 1 73 TYR QB . . 3.570 2.607 2.414 2.861 . 0 0 "[ . 1 . 2]" 1
950 1 73 TYR H 1 73 TYR QD . . 2.740 2.467 2.021 2.865 0.125 20 0 "[ . 1 . 2]" 1
951 1 73 TYR H 1 73 TYR QE . . 4.580 4.225 3.753 4.603 0.023 6 0 "[ . 1 . 2]" 1
952 1 73 TYR HA 1 73 TYR QD . . 3.720 2.947 2.710 3.168 . 0 0 "[ . 1 . 2]" 1
953 1 73 TYR HA 1 74 LEU H . . 2.400 2.284 2.182 2.405 0.005 10 0 "[ . 1 . 2]" 1
954 1 73 TYR QB 1 74 LEU H . . 4.070 3.720 2.962 3.875 . 0 0 "[ . 1 . 2]" 1
955 1 74 LEU H 1 75 ARG H . . 5.080 4.536 4.349 4.608 . 0 0 "[ . 1 . 2]" 1
956 1 74 LEU QD 1 85 TRP HZ2 . . 4.230 3.687 3.118 4.247 0.017 19 0 "[ . 1 . 2]" 1
957 1 75 ARG H 1 75 ARG HB2 . . 3.930 2.970 2.519 3.288 . 0 0 "[ . 1 . 2]" 1
958 1 75 ARG H 1 75 ARG HB3 . . 3.930 3.164 2.965 3.579 . 0 0 "[ . 1 . 2]" 1
959 1 75 ARG H 1 76 ALA H . . 4.590 4.328 4.201 4.476 . 0 0 "[ . 1 . 2]" 1
960 1 75 ARG H 1 85 TRP HZ2 . . 3.650 3.581 2.907 3.766 0.116 15 0 "[ . 1 . 2]" 1
961 1 75 ARG HA 1 75 ARG HG3 . . 2.880 2.701 2.522 2.902 0.022 17 0 "[ . 1 . 2]" 1
962 1 75 ARG HA 1 76 ALA H . . 3.530 2.252 2.187 2.418 . 0 0 "[ . 1 . 2]" 1
963 1 75 ARG HA 1 85 TRP HZ2 . . 4.610 4.188 3.695 4.645 0.035 11 0 "[ . 1 . 2]" 1
964 1 75 ARG QB 1 75 ARG QD . . 3.150 2.251 2.029 2.427 . 0 0 "[ . 1 . 2]" 1
965 1 75 ARG QB 1 76 ALA H . . 4.040 3.320 2.883 3.534 . 0 0 "[ . 1 . 2]" 1
966 1 75 ARG QB 1 85 TRP HZ2 . . 5.340 4.783 4.389 5.067 . 0 0 "[ . 1 . 2]" 1
967 1 75 ARG HB2 1 76 ALA H . . 4.840 4.178 3.955 4.387 . 0 0 "[ . 1 . 2]" 1
968 1 75 ARG HB3 1 76 ALA H . . 4.840 3.502 2.940 3.824 . 0 0 "[ . 1 . 2]" 1
969 1 75 ARG HG2 1 76 ALA H . . 4.060 2.354 1.801 3.229 . 0 0 "[ . 1 . 2]" 1
970 1 76 ALA H 1 76 ALA MB . . 3.600 2.254 2.229 2.347 . 0 0 "[ . 1 . 2]" 1
971 1 76 ALA HA 1 77 GLN QE . . 5.090 3.286 2.187 4.392 . 0 0 "[ . 1 . 2]" 1
972 1 76 ALA MB 1 77 GLN QE . . 4.600 3.547 2.365 4.613 0.013 11 0 "[ . 1 . 2]" 1
973 1 76 ALA MB 1 78 ASP H . . 3.870 3.152 2.290 3.923 0.053 7 0 "[ . 1 . 2]" 1
974 1 76 ALA MB 1 83 GLN H . . 5.390 4.954 4.332 5.595 0.205 5 0 "[ . 1 . 2]" 1
975 1 76 ALA MB 1 84 GLN QG . . 4.230 3.710 2.376 4.364 0.134 5 0 "[ . 1 . 2]" 1
976 1 76 ALA MB 1 85 TRP HZ2 . . 5.130 3.677 2.593 4.977 . 0 0 "[ . 1 . 2]" 1
977 1 77 GLN QE 1 84 GLN HB2 . . 5.140 4.368 3.676 4.861 . 0 0 "[ . 1 . 2]" 1
978 1 77 GLN QE 1 84 GLN HB3 . . 4.970 4.479 3.622 4.990 0.020 9 0 "[ . 1 . 2]" 1
979 1 77 GLN QE 1 84 GLN QG . . 3.050 2.803 1.762 3.288 0.238 16 0 "[ . 1 . 2]" 1
980 1 77 GLN QE 1 85 TRP HZ2 . . 4.670 4.114 2.397 4.770 0.100 20 0 "[ . 1 . 2]" 1
981 1 78 ASP H 1 78 ASP QB . . 3.670 2.889 2.366 3.275 . 0 0 "[ . 1 . 2]" 1
982 1 81 HIS H 1 83 GLN H . . 4.830 4.404 3.621 5.155 0.325 10 0 "[ . 1 . 2]" 1
983 1 83 GLN H 1 83 GLN QB . . 2.730 2.484 2.404 2.738 0.008 15 0 "[ . 1 . 2]" 1
984 1 83 GLN H 1 83 GLN QG . . 2.710 2.159 1.636 3.038 0.328 7 0 "[ . 1 . 2]" 1
985 1 83 GLN H 1 84 GLN HA . . 5.350 5.266 5.097 5.386 0.036 15 0 "[ . 1 . 2]" 1
986 1 83 GLN H 1 84 GLN QG . . 5.180 4.137 3.673 4.438 . 0 0 "[ . 1 . 2]" 1
987 1 83 GLN H 1 86 ILE HB . . 5.500 5.251 4.903 5.512 0.012 5 0 "[ . 1 . 2]" 1
988 1 83 GLN H 1 86 ILE MD . . 5.500 5.526 5.244 5.597 0.097 7 0 "[ . 1 . 2]" 1
989 1 83 GLN HA 1 83 GLN QG . . 3.720 3.341 3.262 3.438 . 0 0 "[ . 1 . 2]" 1
990 1 83 GLN HA 1 85 TRP H . . 4.270 3.925 3.655 4.157 . 0 0 "[ . 1 . 2]" 1
991 1 83 GLN HA 1 85 TRP HD1 . . 5.500 5.407 4.829 5.647 0.147 8 0 "[ . 1 . 2]" 1
992 1 83 GLN HA 1 86 ILE H . . 3.860 3.001 2.661 3.303 . 0 0 "[ . 1 . 2]" 1
993 1 83 GLN HA 1 86 ILE HB . . 3.880 2.523 2.154 2.770 . 0 0 "[ . 1 . 2]" 1
994 1 83 GLN HA 1 86 ILE MD . . 4.170 3.893 3.552 4.246 0.076 16 0 "[ . 1 . 2]" 1
995 1 83 GLN HA 1 86 ILE HG12 . . 4.780 2.288 1.846 2.729 . 0 0 "[ . 1 . 2]" 1
996 1 83 GLN HA 1 86 ILE HG13 . . 3.740 2.803 2.506 3.117 . 0 0 "[ . 1 . 2]" 1
997 1 83 GLN HA 1 86 ILE MG . . 4.310 3.871 3.663 4.088 . 0 0 "[ . 1 . 2]" 1
998 1 83 GLN HA 1 87 ASP H . . 4.160 3.509 3.079 3.859 . 0 0 "[ . 1 . 2]" 1
999 1 83 GLN QB 1 86 ILE MD . . 5.500 4.993 4.495 5.436 . 0 0 "[ . 1 . 2]" 1
1000 1 83 GLN QG 1 84 GLN H . . 2.800 2.671 2.334 2.892 0.092 10 0 "[ . 1 . 2]" 1
1001 1 83 GLN QG 1 84 GLN HA . . 4.360 3.562 3.098 4.433 0.073 14 0 "[ . 1 . 2]" 1
1002 1 84 GLN H 1 84 GLN HA . . 2.890 2.765 2.732 2.813 . 0 0 "[ . 1 . 2]" 1
1003 1 84 GLN H 1 84 GLN HB2 . . 2.870 2.607 2.457 2.807 . 0 0 "[ . 1 . 2]" 1
1004 1 84 GLN H 1 84 GLN HB3 . . 3.970 3.607 3.577 3.642 . 0 0 "[ . 1 . 2]" 1
1005 1 84 GLN H 1 84 GLN QG . . 2.690 2.119 1.903 2.299 . 0 0 "[ . 1 . 2]" 1
1006 1 84 GLN H 1 86 ILE HG12 . . 5.070 4.696 4.549 4.804 . 0 0 "[ . 1 . 2]" 1
1007 1 84 GLN HA 1 84 GLN QG . . 3.350 2.969 2.692 3.144 . 0 0 "[ . 1 . 2]" 1
1008 1 84 GLN HA 1 86 ILE H . . 5.100 4.706 4.513 4.904 . 0 0 "[ . 1 . 2]" 1
1009 1 84 GLN HA 1 87 ASP H . . 4.430 4.121 3.848 4.404 . 0 0 "[ . 1 . 2]" 1
1010 1 84 GLN HB2 1 85 TRP H . . 3.880 2.476 2.249 2.657 . 0 0 "[ . 1 . 2]" 1
1011 1 84 GLN HB2 1 85 TRP HA . . 4.500 4.156 3.891 4.316 . 0 0 "[ . 1 . 2]" 1
1012 1 84 GLN HB2 1 85 TRP HZ2 . . 4.450 4.492 4.310 4.560 0.110 17 0 "[ . 1 . 2]" 1
1013 1 84 GLN HB2 1 88 ALA MB . . 5.500 5.099 4.913 5.285 . 0 0 "[ . 1 . 2]" 1
1014 1 84 GLN HB3 1 85 TRP H . . 4.100 3.567 3.259 3.853 . 0 0 "[ . 1 . 2]" 1
1015 1 84 GLN HB3 1 88 ALA MB . . 4.810 4.303 4.056 4.520 . 0 0 "[ . 1 . 2]" 1
1016 1 84 GLN QG 1 85 TRP H . . 4.000 3.911 3.589 4.052 0.052 14 0 "[ . 1 . 2]" 1
1017 1 84 GLN QG 1 85 TRP HH2 . . 5.150 5.155 4.891 5.224 0.074 19 0 "[ . 1 . 2]" 1
1018 1 84 GLN QG 1 85 TRP HZ2 . . 5.340 4.823 4.204 5.063 . 0 0 "[ . 1 . 2]" 1
1019 1 85 TRP H 1 85 TRP HB2 . . 3.230 2.755 2.666 2.822 . 0 0 "[ . 1 . 2]" 1
1020 1 85 TRP H 1 85 TRP HB3 . . 3.720 3.594 3.557 3.619 . 0 0 "[ . 1 . 2]" 1
1021 1 85 TRP H 1 85 TRP HD1 . . 4.000 3.264 2.771 3.448 . 0 0 "[ . 1 . 2]" 1
1022 1 85 TRP H 1 86 ILE H . . 3.880 2.444 2.356 2.550 . 0 0 "[ . 1 . 2]" 1
1023 1 85 TRP H 1 86 ILE HB . . 4.990 4.787 4.659 4.938 . 0 0 "[ . 1 . 2]" 1
1024 1 85 TRP H 1 86 ILE MD . . 4.940 4.481 4.357 4.626 . 0 0 "[ . 1 . 2]" 1
1025 1 85 TRP H 1 87 ASP H . . 5.060 4.264 4.094 4.370 . 0 0 "[ . 1 . 2]" 1
1026 1 85 TRP H 1 88 ALA MB . . 4.550 4.617 4.574 4.666 0.116 7 0 "[ . 1 . 2]" 1
1027 1 85 TRP HA 1 85 TRP HE3 . . 4.260 2.245 2.026 2.643 . 0 0 "[ . 1 . 2]" 1
1028 1 85 TRP HA 1 88 ALA H . . 4.380 3.739 3.475 3.989 . 0 0 "[ . 1 . 2]" 1
1029 1 85 TRP HA 1 89 ILE MD . . 4.650 3.512 3.092 3.783 . 0 0 "[ . 1 . 2]" 1
1030 1 85 TRP HB2 1 86 ILE H . . 3.220 2.528 2.379 2.699 . 0 0 "[ . 1 . 2]" 1
1031 1 85 TRP HB2 1 89 ILE MD . . 4.370 3.469 3.036 3.902 . 0 0 "[ . 1 . 2]" 1
1032 1 85 TRP HB3 1 85 TRP HE3 . . 3.530 3.008 2.752 3.126 . 0 0 "[ . 1 . 2]" 1
1033 1 85 TRP HB3 1 86 ILE H . . 4.100 3.833 3.693 3.964 . 0 0 "[ . 1 . 2]" 1
1034 1 85 TRP HB3 1 86 ILE MD . . 4.760 4.164 3.898 4.414 . 0 0 "[ . 1 . 2]" 1
1035 1 85 TRP HB3 1 89 ILE MD . . 4.360 2.650 2.302 3.025 . 0 0 "[ . 1 . 2]" 1
1036 1 85 TRP HD1 1 86 ILE MD . . 4.180 4.124 3.778 4.241 0.061 1 0 "[ . 1 . 2]" 1
1037 1 85 TRP HE3 1 88 ALA MB . . 4.820 3.698 3.279 3.982 . 0 0 "[ . 1 . 2]" 1
1038 1 85 TRP HE3 1 89 ILE MD . . 4.490 4.235 3.687 4.563 0.073 20 0 "[ . 1 . 2]" 1
1039 1 85 TRP HZ3 1 88 ALA MB . . 5.240 4.930 4.509 5.237 . 0 0 "[ . 1 . 2]" 1
1040 1 86 ILE H 1 86 ILE HB . . 3.490 2.709 2.669 2.771 . 0 0 "[ . 1 . 2]" 1
1041 1 86 ILE H 1 86 ILE MD . . 4.130 2.767 2.640 2.871 . 0 0 "[ . 1 . 2]" 1
1042 1 86 ILE H 1 86 ILE HG12 . . 4.150 1.892 1.806 1.985 . 0 0 "[ . 1 . 2]" 1
1043 1 86 ILE H 1 86 ILE HG13 . . 3.570 3.475 3.409 3.551 . 0 0 "[ . 1 . 2]" 1
1044 1 86 ILE H 1 86 ILE MG . . 4.150 3.752 3.737 3.773 . 0 0 "[ . 1 . 2]" 1
1045 1 86 ILE H 1 87 ASP H . . 3.700 2.843 2.774 2.926 . 0 0 "[ . 1 . 2]" 1
1046 1 86 ILE HA 1 86 ILE MD . . 3.750 2.143 2.059 2.209 . 0 0 "[ . 1 . 2]" 1
1047 1 86 ILE HA 1 86 ILE HG12 . . 3.670 3.260 3.194 3.312 . 0 0 "[ . 1 . 2]" 1
1048 1 86 ILE HA 1 86 ILE HG13 . . 4.120 3.798 3.753 3.827 . 0 0 "[ . 1 . 2]" 1
1049 1 86 ILE HA 1 86 ILE MG . . 3.430 2.323 2.285 2.358 . 0 0 "[ . 1 . 2]" 1
1050 1 86 ILE HA 1 88 ALA H . . 5.150 4.764 4.631 4.914 . 0 0 "[ . 1 . 2]" 1
1051 1 86 ILE HA 1 89 ILE H . . 4.280 4.015 3.822 4.157 . 0 0 "[ . 1 . 2]" 1
1052 1 86 ILE HA 1 89 ILE MD . . 3.400 3.488 3.351 3.546 0.146 17 0 "[ . 1 . 2]" 1
1053 1 86 ILE HA 1 90 GLU H . . 4.780 3.699 3.510 3.893 . 0 0 "[ . 1 . 2]" 1
1054 1 86 ILE HA 1 90 GLU QG . . 4.400 3.174 2.857 3.643 . 0 0 "[ . 1 . 2]" 1
1055 1 86 ILE HB 1 87 ASP H . . 3.580 2.184 2.079 2.342 . 0 0 "[ . 1 . 2]" 1
1056 1 86 ILE HB 1 87 ASP HA . . 5.150 3.994 3.918 4.145 . 0 0 "[ . 1 . 2]" 1
1057 1 86 ILE HB 1 88 ALA H . . 5.140 4.852 4.679 5.012 . 0 0 "[ . 1 . 2]" 1
1058 1 86 ILE MD 1 87 ASP H . . 4.750 4.456 4.400 4.513 . 0 0 "[ . 1 . 2]" 1
1059 1 86 ILE MD 1 90 GLU QG . . 4.480 4.047 3.734 4.413 . 0 0 "[ . 1 . 2]" 1
1060 1 86 ILE HG12 1 87 ASP H . . 4.810 3.815 3.697 3.986 . 0 0 "[ . 1 . 2]" 1
1061 1 86 ILE HG13 1 87 ASP H . . 4.760 4.535 4.442 4.721 . 0 0 "[ . 1 . 2]" 1
1062 1 86 ILE MG 1 87 ASP H . . 3.970 3.338 3.214 3.451 . 0 0 "[ . 1 . 2]" 1
1063 1 86 ILE MG 1 87 ASP HA . . 4.360 3.505 3.349 3.597 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ILE MG 1 87 ASP QB . . 5.330 4.237 4.080 4.629 . 0 0 "[ . 1 . 2]" 1
1065 1 86 ILE MG 1 90 GLU HA . . 5.230 5.116 4.930 5.258 0.028 16 0 "[ . 1 . 2]" 1
1066 1 86 ILE MG 1 90 GLU QG . . 3.830 2.283 2.118 2.515 . 0 0 "[ . 1 . 2]" 1
1067 1 86 ILE MG 1 91 GLN HE21 . . 5.450 5.462 5.332 5.519 0.069 6 0 "[ . 1 . 2]" 1
1068 1 86 ILE MG 1 91 GLN HE22 . . 4.670 4.561 4.314 4.705 0.035 13 0 "[ . 1 . 2]" 1
1069 1 87 ASP H 1 87 ASP HB2 . . 3.700 2.566 2.239 2.703 . 0 0 "[ . 1 . 2]" 1
1070 1 87 ASP H 1 87 ASP QB . . 3.030 2.236 2.161 2.275 . 0 0 "[ . 1 . 2]" 1
1071 1 87 ASP H 1 87 ASP HB3 . . 3.700 2.530 2.372 3.565 . 0 0 "[ . 1 . 2]" 1
1072 1 87 ASP H 1 88 ALA H . . 3.720 2.801 2.736 2.866 . 0 0 "[ . 1 . 2]" 1
1073 1 87 ASP H 1 88 ALA MB . . 4.470 4.424 4.356 4.477 0.007 5 0 "[ . 1 . 2]" 1
1074 1 87 ASP H 1 91 GLN HE22 . . 5.300 5.147 4.805 5.363 0.063 11 0 "[ . 1 . 2]" 1
1075 1 87 ASP HA 1 90 GLU H . . 4.230 3.939 3.698 4.148 . 0 0 "[ . 1 . 2]" 1
1076 1 87 ASP HA 1 90 GLU HB2 . . 3.920 2.869 2.514 3.100 . 0 0 "[ . 1 . 2]" 1
1077 1 87 ASP HA 1 90 GLU HG2 . . 4.620 4.573 3.967 4.718 0.098 7 0 "[ . 1 . 2]" 1
1078 1 87 ASP HA 1 90 GLU QG . . 4.020 3.958 3.441 4.106 0.086 4 0 "[ . 1 . 2]" 1
1079 1 87 ASP HA 1 90 GLU HG3 . . 4.620 4.360 3.774 4.656 0.036 16 0 "[ . 1 . 2]" 1
1080 1 87 ASP HA 1 91 GLN HE21 . . 2.730 2.471 2.399 2.569 . 0 0 "[ . 1 . 2]" 1
1081 1 87 ASP HA 1 91 GLN QG . . 4.400 4.423 4.365 4.471 0.071 15 0 "[ . 1 . 2]" 1
1082 1 87 ASP QB 1 88 ALA H . . 3.610 2.461 2.343 2.581 . 0 0 "[ . 1 . 2]" 1
1083 1 87 ASP QB 1 88 ALA MB . . 4.390 3.878 3.721 3.982 . 0 0 "[ . 1 . 2]" 1
1084 1 87 ASP HB2 1 88 ALA H . . 4.120 3.785 2.595 3.960 . 0 0 "[ . 1 . 2]" 1
1085 1 87 ASP HB3 1 88 ALA H . . 4.120 2.523 2.370 3.175 . 0 0 "[ . 1 . 2]" 1
1086 1 88 ALA H 1 88 ALA MB . . 3.100 2.228 2.217 2.241 . 0 0 "[ . 1 . 2]" 1
1087 1 88 ALA H 1 89 ILE H . . 3.720 2.917 2.846 3.011 . 0 0 "[ . 1 . 2]" 1
1088 1 88 ALA H 1 89 ILE HA . . 5.500 5.447 5.397 5.502 0.002 8 0 "[ . 1 . 2]" 1
1089 1 88 ALA H 1 89 ILE MD . . 5.500 5.257 5.140 5.380 . 0 0 "[ . 1 . 2]" 1
1090 1 88 ALA H 1 90 GLU H . . 4.710 4.390 4.206 4.485 . 0 0 "[ . 1 . 2]" 1
1091 1 88 ALA H 1 91 GLN QB . . 5.010 4.885 4.761 4.970 . 0 0 "[ . 1 . 2]" 1
1092 1 88 ALA MB 1 89 ILE H . . 3.610 2.254 2.138 2.349 . 0 0 "[ . 1 . 2]" 1
1093 1 88 ALA MB 1 89 ILE HA . . 4.640 3.697 3.636 3.727 . 0 0 "[ . 1 . 2]" 1
1094 1 88 ALA MB 1 89 ILE HB . . 5.200 4.419 4.309 4.504 . 0 0 "[ . 1 . 2]" 1
1095 1 88 ALA MB 1 89 ILE HG13 . . 3.450 2.733 2.540 2.904 . 0 0 "[ . 1 . 2]" 1
1096 1 88 ALA MB 1 90 GLU H . . 4.680 4.504 4.391 4.587 . 0 0 "[ . 1 . 2]" 1
1097 1 88 ALA MB 1 91 GLN QB . . 5.500 4.633 4.453 4.827 . 0 0 "[ . 1 . 2]" 1
1098 1 89 ILE H 1 89 ILE HB . . 3.390 2.607 2.531 2.706 . 0 0 "[ . 1 . 2]" 1
1099 1 89 ILE H 1 89 ILE MD . . 3.440 3.354 3.262 3.441 0.001 13 0 "[ . 1 . 2]" 1
1100 1 89 ILE H 1 89 ILE HG12 . . 3.930 3.396 3.228 3.516 . 0 0 "[ . 1 . 2]" 1
1101 1 89 ILE H 1 89 ILE HG13 . . 3.590 1.980 1.856 2.072 . 0 0 "[ . 1 . 2]" 1
1102 1 89 ILE H 1 89 ILE MG . . 4.020 3.766 3.748 3.783 . 0 0 "[ . 1 . 2]" 1
1103 1 89 ILE H 1 90 GLU QG . . 4.810 4.604 4.223 4.870 0.060 9 0 "[ . 1 . 2]" 1
1104 1 89 ILE HA 1 89 ILE MD . . 4.080 3.887 3.854 3.920 . 0 0 "[ . 1 . 2]" 1
1105 1 89 ILE HA 1 89 ILE HG12 . . 3.840 2.678 2.581 2.745 . 0 0 "[ . 1 . 2]" 1
1106 1 89 ILE HA 1 89 ILE HG13 . . 3.310 2.935 2.835 3.055 . 0 0 "[ . 1 . 2]" 1
1107 1 89 ILE HA 1 91 GLN QB . . 5.400 5.346 5.206 5.455 0.055 6 0 "[ . 1 . 2]" 1
1108 1 89 ILE HA 1 93 LYS H . . 4.420 3.924 3.685 4.290 . 0 0 "[ . 1 . 2]" 1
1109 1 89 ILE HA 1 93 LYS QG . . 4.500 4.265 3.615 4.596 0.096 11 0 "[ . 1 . 2]" 1
1110 1 89 ILE HB 1 90 GLU H . . 4.020 2.499 2.411 2.572 . 0 0 "[ . 1 . 2]" 1
1111 1 89 ILE MD 1 90 GLU H . . 4.390 4.311 4.201 4.418 0.028 20 0 "[ . 1 . 2]" 1
1112 1 89 ILE MG 1 90 GLU H . . 3.550 3.446 3.307 3.592 0.042 8 0 "[ . 1 . 2]" 1
1113 1 89 ILE MG 1 90 GLU QG . . 4.880 4.078 3.889 4.285 . 0 0 "[ . 1 . 2]" 1
1114 1 89 ILE MG 1 92 HIS H . . 4.970 4.390 4.253 4.533 . 0 0 "[ . 1 . 2]" 1
1115 1 89 ILE MG 1 92 HIS HD2 . . 5.500 5.475 4.598 5.690 0.190 2 0 "[ . 1 . 2]" 1
1116 1 89 ILE MG 1 93 LYS H . . 4.730 3.834 3.577 4.227 . 0 0 "[ . 1 . 2]" 1
1117 1 90 GLU H 1 90 GLU HB2 . . 2.980 2.394 2.195 2.518 . 0 0 "[ . 1 . 2]" 1
1118 1 90 GLU H 1 90 GLU HB3 . . 3.590 3.585 3.501 3.606 0.016 3 0 "[ . 1 . 2]" 1
1119 1 90 GLU H 1 90 GLU HG2 . . 3.800 2.442 2.159 2.812 . 0 0 "[ . 1 . 2]" 1
1120 1 90 GLU H 1 90 GLU HG3 . . 3.800 3.720 3.551 3.829 0.029 7 0 "[ . 1 . 2]" 1
1121 1 90 GLU H 1 91 GLN H . . 3.690 2.778 2.641 2.907 . 0 0 "[ . 1 . 2]" 1
1122 1 90 GLU HA 1 90 GLU HG2 . . 3.890 2.869 2.567 3.071 . 0 0 "[ . 1 . 2]" 1
1123 1 90 GLU HA 1 90 GLU HG3 . . 3.890 3.685 3.623 3.766 . 0 0 "[ . 1 . 2]" 1
1124 1 90 GLU HA 1 93 LYS QE . . 4.610 3.015 1.710 3.762 . 0 0 "[ . 1 . 2]" 1
1125 1 90 GLU HA 1 93 LYS QG . . 3.810 2.223 1.816 2.685 . 0 0 "[ . 1 . 2]" 1
1126 1 90 GLU HB2 1 91 GLN H . . 2.940 2.781 2.618 2.918 . 0 0 "[ . 1 . 2]" 1
1127 1 91 GLN H 1 91 GLN QB . . 2.950 2.177 2.142 2.215 . 0 0 "[ . 1 . 2]" 1
1128 1 91 GLN H 1 91 GLN HG2 . . 4.470 3.996 3.860 4.091 . 0 0 "[ . 1 . 2]" 1
1129 1 91 GLN H 1 91 GLN QG . . 3.700 3.648 3.563 3.719 0.019 16 0 "[ . 1 . 2]" 1
1130 1 91 GLN H 1 91 GLN HG3 . . 4.470 4.217 4.094 4.303 . 0 0 "[ . 1 . 2]" 1
1131 1 91 GLN H 1 93 LYS QG . . 4.530 4.271 4.002 4.551 0.021 10 0 "[ . 1 . 2]" 1
1132 1 91 GLN HA 1 91 GLN HG2 . . 3.870 3.634 3.618 3.647 . 0 0 "[ . 1 . 2]" 1
1133 1 91 GLN HA 1 91 GLN QG . . 3.250 2.531 2.435 2.656 . 0 0 "[ . 1 . 2]" 1
1134 1 91 GLN HA 1 91 GLN HG3 . . 3.870 2.583 2.474 2.729 . 0 0 "[ . 1 . 2]" 1
1135 1 91 GLN HA 1 93 LYS H . . 4.740 4.249 3.738 4.494 . 0 0 "[ . 1 . 2]" 1
1136 1 91 GLN QB 1 92 HIS H . . 3.710 3.042 2.880 3.176 . 0 0 "[ . 1 . 2]" 1
1137 1 91 GLN QB 1 93 LYS H . . 4.870 4.824 4.488 5.004 0.134 19 0 "[ . 1 . 2]" 1
1138 1 91 GLN HE21 1 91 GLN QG . . 2.880 2.212 2.193 2.237 . 0 0 "[ . 1 . 2]" 1
1139 1 92 HIS H 1 92 HIS HB2 . . 3.420 2.385 2.318 2.488 . 0 0 "[ . 1 . 2]" 1
1140 1 92 HIS H 1 92 HIS HB3 . . 3.770 3.633 3.578 3.706 . 0 0 "[ . 1 . 2]" 1
1141 1 92 HIS H 1 93 LYS H . . 3.500 2.393 2.307 2.513 . 0 0 "[ . 1 . 2]" 1
1142 1 92 HIS H 1 93 LYS QG . . 4.750 3.662 3.430 3.848 . 0 0 "[ . 1 . 2]" 1
1143 1 92 HIS HA 1 93 LYS QE . . 5.340 5.478 4.992 5.604 0.264 4 0 "[ . 1 . 2]" 1
1144 1 92 HIS HB2 1 93 LYS H . . 4.170 3.309 2.954 3.713 . 0 0 "[ . 1 . 2]" 1
1145 1 92 HIS HB3 1 93 LYS H . . 4.230 3.966 3.702 4.263 0.033 4 0 "[ . 1 . 2]" 1
1146 1 93 LYS H 1 93 LYS QB . . 3.290 2.672 2.428 2.987 . 0 0 "[ . 1 . 2]" 1
1147 1 93 LYS H 1 93 LYS QD . . 4.330 3.868 3.377 4.153 . 0 0 "[ . 1 . 2]" 1
1148 1 93 LYS H 1 93 LYS QG . . 3.600 1.962 1.624 2.314 . 0 0 "[ . 1 . 2]" 1
1149 1 93 LYS HA 1 93 LYS QG . . 3.580 3.210 2.384 3.482 . 0 0 "[ . 1 . 2]" 1
1150 1 93 LYS HA 1 94 THR H . . 3.070 2.327 2.051 2.585 . 0 0 "[ . 1 . 2]" 1
1151 1 93 LYS HA 1 94 THR MG . . 3.790 3.366 2.607 3.761 . 0 0 "[ . 1 . 2]" 1
1152 1 93 LYS QB 1 93 LYS QE . . 3.830 3.066 1.582 3.772 . 0 0 "[ . 1 . 2]" 1
1153 1 93 LYS QB 1 94 THR H . . 3.800 2.452 1.959 3.142 . 0 0 "[ . 1 . 2]" 1
1154 1 93 LYS QB 1 94 THR HA . . 4.860 4.218 3.945 4.571 . 0 0 "[ . 1 . 2]" 1
1155 1 93 LYS QE 1 93 LYS QG . . 3.250 2.189 2.094 2.397 . 0 0 "[ . 1 . 2]" 1
1156 1 93 LYS QE 1 94 THR MG . . 4.990 4.784 3.548 6.022 1.032 10 1 "[ . + . 2]" 1
1157 1 93 LYS QG 1 94 THR H . . 4.230 4.144 3.413 4.371 0.141 20 0 "[ . 1 . 2]" 1
1158 1 94 THR H 1 94 THR HB . . 4.080 3.523 2.931 3.825 . 0 0 "[ . 1 . 2]" 1
1159 1 94 THR H 1 94 THR MG . . 4.080 2.511 1.832 3.181 . 0 0 "[ . 1 . 2]" 1
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