NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618108 |
5lg7   |
25248 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lg7
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 727
_Distance_constraint_stats_list.Viol_count 934
_Distance_constraint_stats_list.Viol_total 1204.218
_Distance_constraint_stats_list.Viol_max 0.220
_Distance_constraint_stats_list.Viol_rms 0.0107
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 3 GLN 1.599 0.176 23 0 "[ . 1 . 2 . 3 ]"
1 4 ASP 0.544 0.070 17 0 "[ . 1 . 2 . 3 ]"
1 5 GLY 2.362 0.176 23 0 "[ . 1 . 2 . 3 ]"
1 6 GLU 0.709 0.060 2 0 "[ . 1 . 2 . 3 ]"
1 7 GLU 0.566 0.054 10 0 "[ . 1 . 2 . 3 ]"
1 8 GLY 0.077 0.054 10 0 "[ . 1 . 2 . 3 ]"
1 9 THR 0.253 0.113 23 0 "[ . 1 . 2 . 3 ]"
1 10 GLU 0.253 0.113 23 0 "[ . 1 . 2 . 3 ]"
1 11 GLU 0.071 0.071 12 0 "[ . 1 . 2 . 3 ]"
1 12 ASP 1.828 0.167 7 0 "[ . 1 . 2 . 3 ]"
1 13 THR 0.064 0.041 26 0 "[ . 1 . 2 . 3 ]"
1 14 GLU 0.103 0.041 26 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 2.207 0.167 7 0 "[ . 1 . 2 . 3 ]"
1 16 LYS 5.188 0.171 5 0 "[ . 1 . 2 . 3 ]"
1 17 CYS 0.255 0.036 9 0 "[ . 1 . 2 . 3 ]"
1 18 THR 0.006 0.006 8 0 "[ . 1 . 2 . 3 ]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 0.039 0.014 11 0 "[ . 1 . 2 . 3 ]"
1 21 LEU 0.039 0.014 11 0 "[ . 1 . 2 . 3 ]"
1 22 SER 0.860 0.067 2 0 "[ . 1 . 2 . 3 ]"
1 23 ILE 5.253 0.115 5 0 "[ . 1 . 2 . 3 ]"
1 24 LEU 1.424 0.179 5 0 "[ . 1 . 2 . 3 ]"
1 25 GLU 2.728 0.088 17 0 "[ . 1 . 2 . 3 ]"
1 26 GLU 3.911 0.134 8 0 "[ . 1 . 2 . 3 ]"
1 27 GLY 1.765 0.104 6 0 "[ . 1 . 2 . 3 ]"
1 28 GLU 3.815 0.182 14 0 "[ . 1 . 2 . 3 ]"
1 29 ASP 2.421 0.182 14 0 "[ . 1 . 2 . 3 ]"
1 30 VAL 1.029 0.161 30 0 "[ . 1 . 2 . 3 ]"
1 31 ARG 0.875 0.161 30 0 "[ . 1 . 2 . 3 ]"
1 32 ARG 1.738 0.111 14 0 "[ . 1 . 2 . 3 ]"
1 33 LEU 1.678 0.111 14 0 "[ . 1 . 2 . 3 ]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 35 CYS 2.389 0.149 28 0 "[ . 1 . 2 . 3 ]"
1 36 MET 2.306 0.149 28 0 "[ . 1 . 2 . 3 ]"
1 37 HIS 0.213 0.086 28 0 "[ . 1 . 2 . 3 ]"
1 38 LEU 1.551 0.100 18 0 "[ . 1 . 2 . 3 ]"
1 39 PHE 1.198 0.100 18 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 1.250 0.168 13 0 "[ . 1 . 2 . 3 ]"
1 41 GLN 0.216 0.036 2 0 "[ . 1 . 2 . 3 ]"
1 42 VAL 0.503 0.051 15 0 "[ . 1 . 2 . 3 ]"
1 43 CYS 1.243 0.168 13 0 "[ . 1 . 2 . 3 ]"
1 44 VAL 0.417 0.054 8 0 "[ . 1 . 2 . 3 ]"
1 45 ASP 1.013 0.054 8 0 "[ . 1 . 2 . 3 ]"
1 46 GLN 0.373 0.079 31 0 "[ . 1 . 2 . 3 ]"
1 47 ARG 0.007 0.005 11 0 "[ . 1 . 2 . 3 ]"
1 48 LEU 1.038 0.084 31 0 "[ . 1 . 2 . 3 ]"
1 49 ILE 1.773 0.116 13 0 "[ . 1 . 2 . 3 ]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 51 ASN 0.203 0.116 13 0 "[ . 1 . 2 . 3 ]"
1 52 LYS 1.591 0.146 15 0 "[ . 1 . 2 . 3 ]"
1 53 LYS 2.009 0.146 15 0 "[ . 1 . 2 . 3 ]"
1 54 CYS 1.603 0.157 10 0 "[ . 1 . 2 . 3 ]"
1 55 PRO 1.105 0.083 5 0 "[ . 1 . 2 . 3 ]"
1 56 ILE 1.105 0.083 5 0 "[ . 1 . 2 . 3 ]"
1 57 CYS 2.059 0.220 31 0 "[ . 1 . 2 . 3 ]"
1 58 ARG 1.612 0.220 31 0 "[ . 1 . 2 . 3 ]"
1 59 VAL 1.215 0.076 27 0 "[ . 1 . 2 . 3 ]"
1 60 ASP 0.573 0.076 10 0 "[ . 1 . 2 . 3 ]"
1 61 ILE 0.007 0.007 2 0 "[ . 1 . 2 . 3 ]"
1 62 GLU 0.394 0.086 29 0 "[ . 1 . 2 . 3 ]"
1 63 ALA 0.714 0.067 1 0 "[ . 1 . 2 . 3 ]"
1 64 GLN 0.725 0.067 1 0 "[ . 1 . 2 . 3 ]"
1 65 LEU 0.011 0.010 17 0 "[ . 1 . 2 . 3 ]"
1 66 PRO 0.143 0.143 1 0 "[ . 1 . 2 . 3 ]"
1 67 SER 0.672 0.168 1 0 "[ . 1 . 2 . 3 ]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 69 SER 0.529 0.168 1 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 3 GLN QB . . 5.730 4.529 3.431 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 LYS HA 1 3 GLN QB . . 6.010 4.269 3.807 5.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 3 GLN HA 1 4 ASP H . . 3.400 2.351 2.126 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 3 GLN HA 1 4 ASP HA . . 4.620 4.415 3.441 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 3 GLN HA 1 5 GLY H . . 5.500 5.325 4.620 5.676 0.176 23 0 "[ . 1 . 2 . 3 ]" 1
6 1 3 GLN QB 1 4 ASP QB . . 6.790 4.886 3.984 5.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 4 ASP H 1 4 ASP QB . . 3.880 2.727 2.283 3.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 4 ASP H 1 5 GLY HA2 . . 5.270 4.444 3.654 5.282 0.012 31 0 "[ . 1 . 2 . 3 ]" 1
9 1 4 ASP H 1 5 GLY QA . . 4.720 4.022 3.492 4.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 4 ASP HA 1 5 GLY H . . 3.490 2.659 2.064 3.560 0.070 17 0 "[ . 1 . 2 . 3 ]" 1
11 1 4 ASP HA 1 5 GLY HA2 . . 5.150 4.629 4.321 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 5 GLY H 1 6 GLU H . . 4.570 4.297 3.334 4.630 0.060 2 0 "[ . 1 . 2 . 3 ]" 1
13 1 6 GLU H 1 7 GLU H . . 4.290 4.202 3.293 4.331 0.041 1 0 "[ . 1 . 2 . 3 ]" 1
14 1 6 GLU H 1 7 GLU HA . . 4.800 4.610 4.424 4.852 0.052 1 0 "[ . 1 . 2 . 3 ]" 1
15 1 6 GLU HA 1 7 GLU H . . 3.040 2.473 2.227 2.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 7 GLU H 1 7 GLU HB2 . . 4.190 2.911 2.277 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 7 GLU H 1 7 GLU QB . . 3.830 2.737 2.252 3.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 7 GLU H 1 7 GLU HB3 . . 4.190 3.511 3.094 3.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 7 GLU H 1 8 GLY H . . 4.500 4.295 3.273 4.554 0.054 10 0 "[ . 1 . 2 . 3 ]" 1
20 1 7 GLU HA 1 8 GLY H . . 3.240 2.573 2.190 2.884 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 8 GLY H 1 9 THR H . . 5.250 4.011 2.067 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 8 GLY QA 1 9 THR MG . . 4.700 3.420 3.298 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 9 THR H 1 9 THR HB . . 4.050 3.439 2.915 3.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 9 THR H 1 9 THR MG . . 4.330 2.631 2.210 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 9 THR H 1 10 GLU H . . 4.410 4.059 2.312 4.523 0.113 23 0 "[ . 1 . 2 . 3 ]" 1
26 1 9 THR H 1 10 GLU QB . . 5.950 4.579 3.258 5.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 9 THR HA 1 9 THR HB . . 2.510 2.456 2.417 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 9 THR HA 1 10 GLU H . . 3.090 2.833 2.334 3.133 0.043 1 0 "[ . 1 . 2 . 3 ]" 1
29 1 9 THR HA 1 10 GLU QB . . 6.330 4.581 4.289 4.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 9 THR HB 1 10 GLU H . . 4.900 3.676 3.450 4.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 9 THR MG 1 10 GLU H . . 4.800 2.720 2.155 3.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 9 THR MG 1 10 GLU HA . . 5.130 4.144 3.721 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 9 THR MG 1 10 GLU HB2 . . 5.100 3.077 2.037 4.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 9 THR MG 1 10 GLU QB . . 4.710 2.833 1.997 3.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 9 THR MG 1 10 GLU HB3 . . 5.100 3.656 2.881 4.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 10 GLU H 1 10 GLU HB2 . . 4.090 2.702 1.990 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 10 GLU H 1 10 GLU QB . . 3.700 2.562 1.972 3.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 10 GLU H 1 10 GLU HB3 . . 4.090 3.338 2.476 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 11 GLU HA 1 12 ASP H . . 2.730 2.426 2.178 2.801 0.071 12 0 "[ . 1 . 2 . 3 ]" 1
40 1 11 GLU HA 1 12 ASP QB . . 5.870 4.442 3.976 4.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 12 ASP H 1 12 ASP QB . . 3.680 2.854 2.563 3.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 12 ASP H 1 13 THR H . . 4.510 3.979 1.896 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 12 ASP H 1 14 GLU H . . 3.750 3.400 2.722 3.773 0.023 2 0 "[ . 1 . 2 . 3 ]" 1
44 1 12 ASP H 1 14 GLU QB . . 5.790 2.873 2.239 4.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 12 ASP H 1 15 GLU H . . 5.500 5.343 4.217 5.667 0.167 7 0 "[ . 1 . 2 . 3 ]" 1
46 1 12 ASP H 1 16 LYS HE2 . . 5.500 3.920 2.848 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 12 ASP H 1 16 LYS QE . . 5.080 3.827 2.820 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 12 ASP H 1 16 LYS HE3 . . 5.500 5.386 4.358 5.611 0.111 29 0 "[ . 1 . 2 . 3 ]" 1
49 1 12 ASP H 1 16 LYS QG . . 6.310 5.139 3.744 5.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 12 ASP HA 1 13 THR H . . 3.030 2.217 2.086 3.044 0.014 7 0 "[ . 1 . 2 . 3 ]" 1
51 1 12 ASP HA 1 14 GLU H . . 4.520 3.997 3.470 4.530 0.010 22 0 "[ . 1 . 2 . 3 ]" 1
52 1 12 ASP HA 1 14 GLU QB . . 5.710 4.648 3.906 5.125 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 12 ASP QB 1 13 THR H . . 4.540 3.647 3.079 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 12 ASP HB2 1 13 THR H . . 4.770 4.254 3.585 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 12 ASP HB3 1 13 THR H . . 4.770 3.999 3.193 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 13 THR H 1 14 GLU H . . 3.560 3.231 1.965 3.601 0.041 26 0 "[ . 1 . 2 . 3 ]" 1
57 1 13 THR H 1 14 GLU QB . . 5.840 4.606 3.123 5.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 13 THR H 1 16 LYS QB . . 6.380 4.753 3.737 5.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 13 THR H 1 16 LYS QE . . 6.380 2.835 2.090 3.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 13 THR HA 1 14 GLU H . . 3.310 2.824 2.536 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 13 THR HA 1 14 GLU QB . . 6.320 4.626 4.394 4.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 13 THR HA 1 18 THR MG . . 5.500 4.482 4.262 4.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 14 GLU H 1 14 GLU HB2 . . 3.610 2.291 2.036 2.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 14 GLU H 1 14 GLU QB . . 3.270 2.166 2.005 2.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 14 GLU H 1 14 GLU HB3 . . 3.610 2.854 2.442 3.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 14 GLU H 1 15 GLU H . . 3.960 2.799 2.278 3.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 14 GLU H 1 16 LYS QE . . 6.380 2.734 2.014 3.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 14 GLU H 1 16 LYS QG . . 6.380 3.064 2.830 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 14 GLU H 1 38 LEU QD . . 7.070 4.552 3.400 5.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 14 GLU QB 1 15 GLU H . . 3.440 2.226 1.919 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 14 GLU QB 1 16 LYS H . . 5.350 4.754 4.598 4.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 14 GLU QB 1 16 LYS QE . . 6.650 3.853 3.135 4.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 14 GLU HB2 1 15 GLU H . . 4.060 3.351 2.389 4.066 0.006 22 0 "[ . 1 . 2 . 3 ]" 1
74 1 14 GLU HB3 1 15 GLU H . . 4.060 2.290 1.929 2.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 15 GLU H 1 16 LYS H . . 3.970 2.972 2.274 3.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 15 GLU H 1 16 LYS QB . . 6.380 4.162 3.829 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 15 GLU H 1 16 LYS HE2 . . 5.250 3.975 3.389 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 15 GLU H 1 16 LYS QE . . 4.620 3.852 3.314 4.131 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 15 GLU H 1 16 LYS HE3 . . 5.250 5.189 4.680 5.341 0.091 22 0 "[ . 1 . 2 . 3 ]" 1
80 1 15 GLU H 1 16 LYS QG . . 5.720 2.401 1.977 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 15 GLU H 1 23 ILE MG . . 5.060 4.175 3.856 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 15 GLU H 1 38 LEU QD . . 7.070 3.981 3.249 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 15 GLU HA 1 16 LYS H . . 2.800 2.531 2.291 2.822 0.022 28 0 "[ . 1 . 2 . 3 ]" 1
84 1 15 GLU HA 1 16 LYS HG2 . . 5.330 5.029 4.841 5.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 15 GLU HA 1 16 LYS HG3 . . 5.330 4.424 4.183 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 15 GLU HA 1 38 LEU MD1 . . 4.170 2.676 2.047 3.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 15 GLU HA 1 38 LEU MD2 . . 4.170 2.704 1.927 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 15 GLU HA 1 38 LEU HG . . 4.430 4.129 2.973 4.526 0.096 14 0 "[ . 1 . 2 . 3 ]" 1
89 1 16 LYS H 1 16 LYS HB2 . . 4.080 2.721 2.636 2.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 16 LYS H 1 16 LYS QB . . 3.850 2.665 2.587 2.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 16 LYS H 1 16 LYS HB3 . . 4.080 3.814 3.760 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 16 LYS H 1 16 LYS QE . . 6.050 4.219 3.983 4.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 16 LYS H 1 16 LYS HG2 . . 4.860 3.611 3.389 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 16 LYS H 1 16 LYS QG . . 4.560 2.728 2.432 2.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 16 LYS H 1 16 LYS HG3 . . 4.860 2.824 2.493 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 16 LYS H 1 23 ILE HA . . 5.450 5.000 4.889 5.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 16 LYS H 1 38 LEU MD1 . . 5.430 3.810 2.142 4.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 16 LYS H 1 38 LEU MD2 . . 5.430 3.362 2.176 4.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 16 LYS HA 1 17 CYS H . . 3.160 2.151 2.060 2.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 16 LYS HA 1 17 CYS QB . . 5.700 4.000 3.841 4.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 16 LYS HA 1 22 SER H . . 5.450 5.169 4.966 5.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 16 LYS HA 1 23 ILE H . . 4.850 4.876 4.769 4.958 0.108 23 0 "[ . 1 . 2 . 3 ]" 1
103 1 16 LYS HA 1 23 ILE HA . . 3.100 2.079 2.025 2.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 16 LYS HA 1 23 ILE HB . . 4.960 4.934 4.717 5.036 0.076 17 0 "[ . 1 . 2 . 3 ]" 1
105 1 16 LYS HA 1 24 LEU H . . 3.540 3.126 2.968 3.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 16 LYS HA 1 24 LEU QD . . 6.240 3.547 1.977 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 16 LYS HA 1 24 LEU HG . . 4.590 3.169 2.837 4.761 0.171 5 0 "[ . 1 . 2 . 3 ]" 1
108 1 16 LYS QB 1 17 CYS H . . 4.150 3.395 3.282 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 16 LYS QB 1 18 THR MG . . 4.490 3.002 2.458 3.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 16 LYS QB 1 23 ILE H . . 6.380 5.214 4.904 5.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 16 LYS HB2 1 17 CYS H . . 4.340 4.319 4.221 4.376 0.036 9 0 "[ . 1 . 2 . 3 ]" 1
112 1 16 LYS HB2 1 23 ILE HA . . 4.780 4.732 4.587 4.851 0.071 28 0 "[ . 1 . 2 . 3 ]" 1
113 1 16 LYS HB3 1 17 CYS H . . 4.340 3.552 3.409 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 16 LYS HB3 1 23 ILE HA . . 4.780 3.453 3.266 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 16 LYS QE 1 18 THR MG . . 5.620 4.178 3.752 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 16 LYS QE 1 23 ILE MD . . 5.880 4.206 3.782 4.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 16 LYS QE 1 23 ILE MG . . 6.180 4.572 4.437 4.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 16 LYS QG 1 17 CYS H . . 6.380 4.279 4.143 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 16 LYS QG 1 23 ILE HA . . 4.290 3.047 2.702 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 16 LYS QG 1 23 ILE HB . . 5.970 4.519 4.172 4.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 16 LYS QG 1 23 ILE MG . . 4.340 2.084 1.959 2.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 16 LYS HG2 1 23 ILE HA . . 4.630 3.091 2.728 3.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 16 LYS HG3 1 23 ILE HA . . 4.630 4.629 4.387 4.718 0.088 23 0 "[ . 1 . 2 . 3 ]" 1
124 1 17 CYS H 1 17 CYS HB2 . . 3.710 2.464 2.131 2.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 17 CYS H 1 17 CYS QB . . 3.520 2.174 2.056 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 17 CYS H 1 17 CYS HB3 . . 3.710 2.466 2.242 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 17 CYS H 1 18 THR H . . 5.420 4.402 4.265 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 17 CYS H 1 18 THR HA . . 5.500 5.157 5.010 5.380 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 17 CYS H 1 22 SER H . . 5.160 3.644 3.543 3.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 17 CYS H 1 23 ILE HA . . 4.150 2.803 2.531 3.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 17 CYS H 1 24 LEU H . . 5.470 3.995 3.805 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 17 CYS H 1 24 LEU MD1 . . 5.500 3.434 2.831 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 17 CYS H 1 24 LEU QD . . 4.780 2.992 1.938 3.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 17 CYS H 1 24 LEU MD2 . . 5.500 3.343 1.970 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 17 CYS H 1 24 LEU HG . . 4.950 2.726 2.376 4.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 17 CYS HA 1 18 THR H . . 3.300 2.265 2.176 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 17 CYS HA 1 18 THR HA . . 5.300 4.485 4.454 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 17 CYS HA 1 18 THR MG . . 5.270 3.988 3.841 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 17 CYS HA 1 24 LEU MD1 . . 5.140 3.708 2.843 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 17 CYS HA 1 24 LEU QD . . 4.830 3.427 2.803 3.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 17 CYS HA 1 24 LEU MD2 . . 5.140 4.149 3.401 4.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 17 CYS HA 1 24 LEU HG . . 5.290 4.597 4.335 5.313 0.023 5 0 "[ . 1 . 2 . 3 ]" 1
143 1 17 CYS HA 1 39 PHE HA . . 4.410 3.022 2.266 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 17 CYS QB 1 18 THR H . . 5.800 4.016 3.858 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 17 CYS QB 1 19 ILE H . . 6.380 3.673 3.510 4.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 17 CYS QB 1 21 LEU H . . 5.730 4.117 3.576 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 17 CYS QB 1 21 LEU HA . . 6.060 4.575 3.990 5.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 17 CYS QB 1 22 SER H . . 4.190 2.516 1.985 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 17 CYS QB 1 22 SER QB . . 6.920 3.812 2.766 4.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 17 CYS QB 1 24 LEU QD . . 5.730 2.032 1.875 2.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 17 CYS QB 1 24 LEU HG . . 6.110 2.963 2.316 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 17 CYS HB2 1 22 SER H . . 4.620 4.224 3.608 4.649 0.029 22 0 "[ . 1 . 2 . 3 ]" 1
153 1 17 CYS HB2 1 24 LEU MD1 . . 7.910 2.860 2.154 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 17 CYS HB2 1 24 LEU MD2 . . 7.910 2.152 2.064 2.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 17 CYS HB3 1 22 SER H . . 4.620 2.536 1.993 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 17 CYS HB3 1 24 LEU MD1 . . 7.910 4.244 2.408 4.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 17 CYS HB3 1 24 LEU MD2 . . 7.910 3.197 2.580 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 18 THR H 1 18 THR MG . . 3.930 2.584 2.298 3.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 18 THR H 1 19 ILE H . . 4.050 2.576 2.231 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 18 THR H 1 19 ILE MD . . 5.500 4.654 4.628 4.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 18 THR H 1 24 LEU QD . . 7.070 5.118 4.634 5.312 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 18 THR H 1 39 PHE HA . . 4.650 3.803 2.748 4.656 0.006 8 0 "[ . 1 . 2 . 3 ]" 1
163 1 18 THR HA 1 18 THR MG . . 3.430 2.362 2.220 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 18 THR HA 1 21 LEU H . . 5.250 3.434 3.068 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 18 THR HB 1 19 ILE H . . 4.900 4.453 3.960 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 18 THR MG 1 19 ILE H . . 5.500 4.317 4.057 4.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 19 ILE H 1 19 ILE HB . . 3.390 2.522 2.305 2.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 19 ILE H 1 19 ILE MD . . 4.730 3.931 3.599 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 19 ILE H 1 19 ILE HG12 . . 4.280 3.135 2.541 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 19 ILE H 1 19 ILE QG . . 3.990 2.393 1.943 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 19 ILE H 1 19 ILE HG13 . . 4.280 2.485 2.016 2.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 19 ILE H 1 19 ILE MG . . 4.640 3.764 3.696 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 19 ILE H 1 20 CYS H . . 3.710 2.410 2.213 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 19 ILE H 1 20 CYS QB . . 6.380 4.842 4.580 5.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 19 ILE H 1 21 LEU H . . 4.590 3.069 2.686 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 19 ILE H 1 43 CYS QB . . 6.120 3.939 3.498 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 19 ILE HA 1 19 ILE MD . . 4.180 3.567 3.517 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 19 ILE HA 1 19 ILE HG12 . . 4.110 2.429 2.261 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 19 ILE HA 1 19 ILE QG . . 3.950 2.381 2.212 2.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 19 ILE HA 1 19 ILE HG13 . . 4.110 3.417 3.130 3.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 19 ILE HA 1 19 ILE MG . . 3.250 2.241 2.119 2.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 19 ILE HA 1 47 ARG QD . . 5.910 3.062 2.387 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 19 ILE HB 1 20 CYS H . . 3.750 2.115 1.912 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 19 ILE HB 1 20 CYS QB . . 6.260 3.951 3.706 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 19 ILE HB 1 21 LEU H . . 5.360 4.339 4.132 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 19 ILE HB 1 43 CYS QB . . 4.510 2.077 1.910 2.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 19 ILE HB 1 44 VAL H . . 5.430 4.828 4.542 5.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 19 ILE MD 1 19 ILE MG . . 3.360 1.965 1.918 2.015 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 19 ILE MD 1 20 CYS H . . 5.500 4.404 4.167 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 19 ILE MD 1 39 PHE HB2 . . 4.380 3.295 2.753 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 19 ILE MD 1 39 PHE HB3 . . 4.380 2.798 2.103 3.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 19 ILE MD 1 43 CYS H . . 5.500 4.596 4.248 4.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 19 ILE MD 1 43 CYS QB . . 4.880 2.254 2.018 2.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 19 ILE MD 1 44 VAL H . . 4.510 2.963 2.641 3.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 19 ILE MD 1 44 VAL HA . . 3.280 2.129 2.059 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 19 ILE MD 1 47 ARG H . . 5.500 3.291 2.934 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 19 ILE MD 1 47 ARG HA . . 5.700 4.769 4.639 4.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 19 ILE MD 1 47 ARG HB2 . . 5.180 3.172 2.939 3.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 19 ILE MD 1 47 ARG QB . . 4.820 2.129 2.057 2.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 19 ILE MD 1 47 ARG HB3 . . 5.180 2.164 2.092 2.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 19 ILE MD 1 47 ARG QD . . 5.020 2.717 2.091 3.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 19 ILE MD 1 47 ARG QG . . 5.400 3.806 3.441 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 19 ILE MD 1 48 LEU H . . 5.440 3.771 3.486 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 19 ILE MD 1 48 LEU QD . . 5.420 2.232 2.045 2.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 19 ILE QG 1 39 PHE QB . . 6.030 2.676 2.065 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 19 ILE QG 1 43 CYS QB . . 7.240 2.877 2.086 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 19 ILE QG 1 44 VAL H . . 5.070 4.590 4.534 4.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 19 ILE QG 1 44 VAL HA . . 4.530 4.115 4.031 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 19 ILE MG 1 20 CYS H . . 4.260 3.142 2.654 3.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 19 ILE MG 1 20 CYS HA . . 4.610 3.751 3.524 3.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 19 ILE MG 1 20 CYS QB . . 6.140 3.750 3.079 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 19 ILE MG 1 43 CYS QB . . 4.380 2.447 1.958 3.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 19 ILE MG 1 47 ARG QD . . 4.630 2.249 1.896 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 19 ILE MG 1 48 LEU QD . . 5.900 3.529 3.346 3.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 20 CYS H 1 21 LEU H . . 3.840 2.686 2.366 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 20 CYS H 1 21 LEU HA . . 4.990 4.716 4.531 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 20 CYS H 1 21 LEU QD . . 6.770 4.778 4.182 5.034 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 20 CYS H 1 22 SER H . . 4.970 4.255 3.856 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 20 CYS HA 1 21 LEU QD . . 7.070 3.841 2.666 4.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 20 CYS HA 1 21 LEU HG . . 4.870 4.179 3.489 4.884 0.014 11 0 "[ . 1 . 2 . 3 ]" 1
221 1 20 CYS QB 1 21 LEU H . . 5.800 3.925 3.080 4.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 21 LEU H 1 21 LEU HG . . 4.570 2.614 2.153 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 21 LEU H 1 22 SER H . . 3.630 3.129 2.649 3.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 21 LEU HA 1 21 LEU HG . . 3.970 2.882 2.330 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 21 LEU HA 1 22 SER H . . 3.150 2.601 2.335 2.785 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 21 LEU HB2 1 22 SER H . . 5.330 4.474 4.195 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 21 LEU HB3 1 22 SER H . . 5.330 4.480 4.323 4.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 21 LEU QD 1 22 SER H . . 7.070 4.399 4.049 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 21 LEU HG 1 22 SER H . . 5.500 4.911 4.566 5.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 22 SER H 1 22 SER QB . . 3.810 3.247 2.763 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 22 SER HA 1 23 ILE H . . 3.020 2.322 2.225 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 22 SER HA 1 23 ILE HA . . 5.220 4.397 4.345 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 22 SER HA 1 23 ILE HB . . 4.990 4.722 4.487 4.881 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 22 SER HA 1 23 ILE MD . . 5.500 3.019 2.421 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 22 SER HA 1 23 ILE QG . . 5.490 4.012 3.338 4.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 22 SER HA 1 23 ILE MG . . 6.500 5.446 5.405 5.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 22 SER QB 1 23 ILE MD . . 6.360 4.197 3.647 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 22 SER QB 1 23 ILE QG . . 7.030 4.863 4.234 5.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 22 SER HB2 1 23 ILE H . . 3.620 2.948 2.291 3.687 0.067 2 0 "[ . 1 . 2 . 3 ]" 1
240 1 22 SER HB3 1 23 ILE H . . 3.620 3.478 2.537 3.664 0.044 3 0 "[ . 1 . 2 . 3 ]" 1
241 1 23 ILE H 1 23 ILE HB . . 2.980 2.480 2.267 2.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 23 ILE H 1 23 ILE MD . . 3.720 2.490 2.030 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 23 ILE H 1 23 ILE HG12 . . 3.900 3.253 2.133 4.000 0.100 3 0 "[ . 1 . 2 . 3 ]" 1
244 1 23 ILE H 1 23 ILE QG . . 3.560 2.800 2.119 3.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 23 ILE H 1 23 ILE HG13 . . 3.900 3.530 3.230 3.904 0.004 17 0 "[ . 1 . 2 . 3 ]" 1
246 1 23 ILE H 1 24 LEU H . . 5.440 4.553 4.485 4.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 23 ILE HA 1 23 ILE MD . . 4.080 2.889 2.261 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 23 ILE HA 1 23 ILE HG12 . . 4.200 3.537 3.428 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 23 ILE HA 1 23 ILE HG13 . . 4.200 2.986 2.230 3.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 23 ILE HA 1 23 ILE MG . . 3.480 2.315 2.156 2.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 23 ILE HA 1 24 LEU H . . 3.000 2.383 2.283 2.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 23 ILE HA 1 24 LEU HA . . 5.250 4.390 4.292 4.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 23 ILE HA 1 24 LEU MD1 . . 5.500 4.480 3.239 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 23 ILE HA 1 24 LEU QD . . 5.170 3.737 2.179 3.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 23 ILE HA 1 24 LEU MD2 . . 5.500 4.030 2.215 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 23 ILE HA 1 24 LEU HG . . 5.010 3.257 3.039 5.030 0.020 5 0 "[ . 1 . 2 . 3 ]" 1
257 1 23 ILE HB 1 24 LEU H . . 3.760 3.706 3.508 3.875 0.115 5 0 "[ . 1 . 2 . 3 ]" 1
258 1 23 ILE MG 1 24 LEU H . . 3.510 2.069 1.926 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 23 ILE MG 1 24 LEU HA . . 4.880 4.048 3.947 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 23 ILE MG 1 25 GLU HB2 . . 5.200 4.101 3.773 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 23 ILE MG 1 25 GLU HB3 . . 5.200 3.694 2.439 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 23 ILE MG 1 25 GLU QG . . 5.200 2.064 1.827 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 24 LEU H 1 24 LEU HB2 . . 4.140 2.495 2.316 2.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 24 LEU H 1 24 LEU QB . . 3.710 2.454 2.288 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 24 LEU H 1 24 LEU HB3 . . 4.140 3.643 3.561 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 24 LEU H 1 24 LEU MD1 . . 4.570 3.524 3.016 3.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 24 LEU H 1 24 LEU QD . . 4.220 3.120 1.886 3.200 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 24 LEU H 1 24 LEU MD2 . . 4.570 3.523 1.906 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 24 LEU H 1 24 LEU HG . . 3.580 2.515 2.352 3.759 0.179 5 0 "[ . 1 . 2 . 3 ]" 1
270 1 24 LEU H 1 25 GLU H . . 5.270 2.840 2.454 3.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 24 LEU H 1 25 GLU QG . . 6.380 3.317 2.733 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 24 LEU HA 1 24 LEU MD1 . . 4.700 3.823 2.353 3.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 24 LEU HA 1 24 LEU QD . . 3.730 2.156 1.988 2.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 24 LEU HA 1 24 LEU MD2 . . 4.700 2.204 1.994 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 24 LEU HA 1 25 GLU H . . 3.520 3.534 3.418 3.569 0.049 5 0 "[ . 1 . 2 . 3 ]" 1
276 1 24 LEU HA 1 25 GLU QG . . 4.500 4.002 3.885 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 24 LEU QB 1 25 GLU H . . 4.760 1.899 1.881 1.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 24 LEU HB2 1 25 GLU H . . 5.120 1.931 1.900 1.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 24 LEU HB3 1 25 GLU H . . 5.120 2.871 2.304 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 24 LEU QD 1 25 GLU H . . 4.630 3.507 3.113 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 24 LEU QD 1 28 GLU H . . 7.070 4.462 3.577 5.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 24 LEU QD 1 39 PHE H . . 7.070 4.996 3.969 5.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 24 LEU QD 1 39 PHE HA . . 6.220 3.942 2.417 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 24 LEU QD 1 40 HIS H . . 6.570 3.666 1.989 4.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 24 LEU MD1 1 25 GLU H . . 5.490 3.729 3.649 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 24 LEU MD2 1 25 GLU H . . 5.490 4.360 3.181 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 24 LEU HG 1 25 GLU H . . 5.260 4.127 3.852 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 25 GLU H 1 25 GLU HB2 . . 4.130 3.882 3.798 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 25 GLU H 1 25 GLU QB . . 3.860 3.247 2.761 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 25 GLU H 1 25 GLU HB3 . . 4.130 3.594 2.826 4.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 25 GLU H 1 26 GLU H . . 4.550 3.178 2.341 4.607 0.057 19 0 "[ . 1 . 2 . 3 ]" 1
292 1 25 GLU H 1 26 GLU HA . . 5.470 5.268 4.493 5.540 0.070 19 0 "[ . 1 . 2 . 3 ]" 1
293 1 25 GLU H 1 28 GLU H . . 5.020 5.000 4.585 5.108 0.088 17 0 "[ . 1 . 2 . 3 ]" 1
294 1 25 GLU H 1 28 GLU QB . . 5.520 4.459 2.858 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 25 GLU HA 1 25 GLU QG . . 3.880 2.874 2.395 3.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 25 GLU HA 1 26 GLU H . . 2.850 2.606 2.109 2.926 0.076 16 0 "[ . 1 . 2 . 3 ]" 1
297 1 26 GLU H 1 26 GLU QB . . 3.890 2.799 2.191 3.503 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 26 GLU H 1 28 GLU H . . 5.130 3.897 2.720 5.195 0.065 6 0 "[ . 1 . 2 . 3 ]" 1
299 1 26 GLU HA 1 27 GLY H . . 2.880 2.606 2.039 2.961 0.081 8 0 "[ . 1 . 2 . 3 ]" 1
300 1 26 GLU HA 1 27 GLY QA . . 5.560 4.059 3.791 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 26 GLU HA 1 28 GLU H . . 4.370 4.154 3.567 4.504 0.134 8 0 "[ . 1 . 2 . 3 ]" 1
302 1 26 GLU QB 1 27 GLY QA . . 5.800 4.034 3.256 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 26 GLU HB2 1 27 GLY H . . 4.180 3.912 3.365 4.284 0.104 6 0 "[ . 1 . 2 . 3 ]" 1
304 1 26 GLU HB2 1 27 GLY HA2 . . 7.040 5.734 4.502 6.371 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 26 GLU HB3 1 27 GLY H . . 4.180 3.366 1.994 4.262 0.082 16 0 "[ . 1 . 2 . 3 ]" 1
306 1 26 GLU HB3 1 27 GLY HA2 . . 7.040 5.085 3.948 6.063 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 27 GLY H 1 28 GLU H . . 3.890 3.035 2.365 3.902 0.012 17 0 "[ . 1 . 2 . 3 ]" 1
308 1 27 GLY QA 1 28 GLU QG . . 6.120 4.260 3.303 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 27 GLY HA2 1 28 GLU HG2 . . 7.240 5.738 4.883 6.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 27 GLY HA2 1 28 GLU HG3 . . 7.240 5.959 4.664 7.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 28 GLU H 1 28 GLU HB2 . . 3.710 2.363 2.066 3.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 28 GLU H 1 28 GLU QB . . 3.350 2.295 2.050 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 28 GLU H 1 28 GLU HB3 . . 3.710 3.511 2.463 3.730 0.020 19 0 "[ . 1 . 2 . 3 ]" 1
314 1 28 GLU H 1 28 GLU HG2 . . 4.460 3.230 2.399 4.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 28 GLU H 1 28 GLU QG . . 3.960 2.713 2.204 3.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 28 GLU H 1 28 GLU HG3 . . 4.460 3.259 2.235 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 28 GLU H 1 29 ASP H . . 4.690 4.588 4.240 4.703 0.013 25 0 "[ . 1 . 2 . 3 ]" 1
318 1 28 GLU HA 1 28 GLU HG2 . . 4.080 2.755 2.235 4.150 0.070 12 0 "[ . 1 . 2 . 3 ]" 1
319 1 28 GLU HA 1 28 GLU QG . . 3.640 2.478 2.208 3.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 28 GLU HA 1 28 GLU HG3 . . 4.080 3.303 2.231 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 28 GLU HA 1 29 ASP H . . 3.010 2.326 1.997 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 28 GLU QB 1 29 ASP H . . 3.730 2.696 1.965 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 28 GLU QB 1 29 ASP HA . . 5.130 4.355 4.085 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 28 GLU HB2 1 29 ASP H . . 4.000 3.888 2.646 4.182 0.182 14 0 "[ . 1 . 2 . 3 ]" 1
325 1 28 GLU HB2 1 29 ASP HA . . 5.300 5.205 4.237 5.405 0.105 8 0 "[ . 1 . 2 . 3 ]" 1
326 1 28 GLU HB3 1 29 ASP H . . 4.000 2.797 1.983 3.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 28 GLU HB3 1 29 ASP HA . . 5.300 4.712 4.354 5.357 0.057 12 0 "[ . 1 . 2 . 3 ]" 1
328 1 28 GLU QG 1 29 ASP H . . 6.260 4.012 3.543 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 29 ASP H 1 29 ASP HB2 . . 3.590 2.578 2.094 3.702 0.112 24 0 "[ . 1 . 2 . 3 ]" 1
330 1 29 ASP H 1 29 ASP QB . . 3.280 2.370 2.076 2.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 29 ASP H 1 29 ASP HB3 . . 3.590 3.276 2.437 3.617 0.027 14 0 "[ . 1 . 2 . 3 ]" 1
332 1 29 ASP H 1 30 VAL H . . 4.570 4.402 3.735 4.620 0.050 13 0 "[ . 1 . 2 . 3 ]" 1
333 1 29 ASP HA 1 30 VAL H . . 3.160 2.265 2.131 2.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 29 ASP QB 1 30 VAL H . . 4.340 3.337 2.243 3.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 29 ASP QB 1 41 GLN H . . 5.440 3.571 2.801 4.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 29 ASP QB 1 41 GLN QB . . 4.400 2.341 1.936 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 29 ASP QB 1 41 GLN QG . . 6.960 3.621 2.162 5.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 29 ASP QB 1 42 VAL H . . 6.380 4.615 3.339 5.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 29 ASP HB2 1 30 VAL H . . 4.600 4.190 2.260 4.644 0.044 3 0 "[ . 1 . 2 . 3 ]" 1
340 1 29 ASP HB2 1 41 GLN HB2 . . 5.110 3.589 2.189 5.146 0.036 2 0 "[ . 1 . 2 . 3 ]" 1
341 1 29 ASP HB2 1 41 GLN HB3 . . 5.110 3.651 2.163 5.112 0.002 31 0 "[ . 1 . 2 . 3 ]" 1
342 1 29 ASP HB3 1 30 VAL H . . 4.600 3.614 2.582 4.605 0.005 29 0 "[ . 1 . 2 . 3 ]" 1
343 1 29 ASP HB3 1 41 GLN HB2 . . 5.110 2.888 2.173 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 29 ASP HB3 1 41 GLN HB3 . . 5.110 3.287 2.044 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 30 VAL H 1 30 VAL HB . . 4.110 3.719 2.767 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 30 VAL H 1 31 ARG HA . . 5.500 4.892 4.446 5.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 30 VAL H 1 31 ARG QB . . 6.380 5.034 4.474 5.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 30 VAL HA 1 31 ARG H . . 3.190 2.281 2.106 2.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 30 VAL HA 1 31 ARG QB . . 5.330 3.995 3.678 4.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 30 VAL HA 1 40 HIS HA . . 3.410 2.495 2.076 2.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 30 VAL HA 1 40 HIS QB . . 5.900 4.490 3.928 5.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 30 VAL HA 1 41 GLN H . . 3.500 2.959 2.184 3.529 0.029 29 0 "[ . 1 . 2 . 3 ]" 1
353 1 30 VAL HA 1 41 GLN QB . . 6.240 3.660 2.918 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 30 VAL HB 1 31 ARG H . . 3.530 3.047 2.471 3.691 0.161 30 0 "[ . 1 . 2 . 3 ]" 1
355 1 30 VAL HB 1 39 PHE H . . 5.050 4.012 2.207 5.116 0.066 28 0 "[ . 1 . 2 . 3 ]" 1
356 1 30 VAL HB 1 40 HIS HA . . 5.160 4.141 2.842 5.167 0.007 19 0 "[ . 1 . 2 . 3 ]" 1
357 1 31 ARG H 1 31 ARG QB . . 3.770 2.600 2.307 2.904 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 31 ARG H 1 32 ARG H . . 4.930 4.040 3.327 4.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 31 ARG H 1 39 PHE H . . 4.310 3.242 2.766 3.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 31 ARG H 1 39 PHE HA . . 5.500 5.287 4.678 5.590 0.090 11 0 "[ . 1 . 2 . 3 ]" 1
361 1 31 ARG H 1 39 PHE QB . . 5.880 4.514 3.786 5.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 31 ARG H 1 40 HIS HA . . 4.590 3.665 3.133 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 31 ARG H 1 41 GLN H . . 4.390 3.900 2.375 4.419 0.029 18 0 "[ . 1 . 2 . 3 ]" 1
364 1 31 ARG H 1 41 GLN HA . . 5.210 3.713 2.568 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 31 ARG H 1 41 GLN QB . . 6.290 4.132 3.231 5.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 31 ARG HA 1 32 ARG H . . 2.980 2.290 2.139 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
367 1 31 ARG HA 1 32 ARG HA . . 4.980 4.477 4.376 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 31 ARG QB 1 39 PHE QB . . 6.800 4.668 3.802 5.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 31 ARG QB 1 41 GLN H . . 5.650 4.105 3.080 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 31 ARG QB 1 41 GLN HA . . 4.430 2.388 2.002 3.111 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 31 ARG QB 1 41 GLN QB . . 6.040 3.116 2.213 3.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 31 ARG QB 1 41 GLN QG . . 5.370 2.674 2.074 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 31 ARG QB 1 42 VAL H . . 6.380 5.419 4.815 5.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 31 ARG HB2 1 41 GLN HB2 . . 7.130 3.310 2.255 4.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 31 ARG HB2 1 41 GLN HB3 . . 7.130 4.584 3.860 5.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 31 ARG HB2 1 41 GLN HG2 . . 6.690 3.548 2.137 5.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 31 ARG HB2 1 41 GLN HG3 . . 6.690 3.303 2.143 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 31 ARG HB3 1 41 GLN HB2 . . 7.130 4.556 3.502 5.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
379 1 31 ARG HB3 1 41 GLN HB3 . . 7.130 5.649 4.796 6.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 31 ARG HB3 1 41 GLN HG2 . . 6.690 4.539 3.010 6.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 31 ARG HB3 1 41 GLN HG3 . . 6.690 4.496 3.089 6.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 32 ARG H 1 32 ARG HB2 . . 4.120 3.629 2.622 3.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 32 ARG H 1 32 ARG QB . . 3.880 2.758 2.232 3.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 32 ARG H 1 32 ARG HB3 . . 4.120 2.870 2.418 3.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 32 ARG H 1 32 ARG QD . . 6.030 3.984 3.509 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 32 ARG H 1 32 ARG HG2 . . 5.500 3.385 2.465 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 32 ARG H 1 32 ARG HG3 . . 5.500 2.518 1.995 4.913 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 32 ARG H 1 33 LEU H . . 5.500 4.420 2.732 4.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 32 ARG H 1 33 LEU HA . . 5.500 5.259 4.567 5.570 0.070 23 0 "[ . 1 . 2 . 3 ]" 1
390 1 32 ARG HA 1 32 ARG HD2 . . 5.190 4.256 3.846 5.261 0.071 20 0 "[ . 1 . 2 . 3 ]" 1
391 1 32 ARG HA 1 32 ARG QD . . 4.870 3.924 3.680 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 32 ARG HA 1 32 ARG HD3 . . 5.190 4.655 4.378 4.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 32 ARG HA 1 33 LEU H . . 3.310 2.206 2.045 3.397 0.087 20 0 "[ . 1 . 2 . 3 ]" 1
394 1 32 ARG QB 1 36 MET H . . 5.550 4.969 4.683 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 32 ARG QB 1 36 MET HA . . 5.030 3.759 3.355 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 32 ARG QB 1 37 HIS H . . 6.380 3.322 2.722 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 32 ARG QB 1 38 LEU H . . 6.380 4.332 3.056 5.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 32 ARG QB 1 38 LEU QD . . 7.120 3.661 2.862 4.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 32 ARG QB 1 39 PHE H . . 5.540 4.484 3.794 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 32 ARG QD 1 33 LEU HA . . 5.490 4.362 3.491 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 32 ARG QD 1 36 MET HA . . 4.430 3.458 1.996 3.909 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 32 ARG QD 1 36 MET QB . . 7.040 4.923 3.693 5.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 32 ARG QD 1 37 HIS H . . 5.080 4.079 3.189 4.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 32 ARG HD2 1 36 MET HA . . 4.900 4.401 3.591 4.924 0.024 31 0 "[ . 1 . 2 . 3 ]" 1
405 1 32 ARG HD2 1 37 HIS H . . 5.500 4.750 4.344 5.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 32 ARG HD3 1 36 MET HA . . 4.900 3.663 2.005 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 32 ARG HD3 1 37 HIS H . . 5.500 4.504 3.261 5.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 32 ARG QG 1 36 MET HA . . 6.240 4.960 2.146 5.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 32 ARG HG2 1 33 LEU H . . 5.440 5.043 2.560 5.551 0.111 14 0 "[ . 1 . 2 . 3 ]" 1
410 1 32 ARG HG3 1 33 LEU H . . 5.440 4.625 2.539 4.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 33 LEU H 1 35 CYS H . . 5.240 4.509 4.073 5.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 33 LEU H 1 37 HIS H . . 4.860 3.090 2.593 4.900 0.040 20 0 "[ . 1 . 2 . 3 ]" 1
413 1 33 LEU H 1 61 ILE MG . . 5.500 4.703 4.639 4.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 33 LEU HA 1 34 PRO QD . . 3.450 2.242 2.128 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 33 LEU HA 1 35 CYS H . . 4.710 3.997 3.711 4.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 33 LEU HA 1 61 ILE MG . . 4.370 3.397 2.994 3.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 34 PRO HA 1 36 MET H . . 4.300 3.502 3.328 3.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
418 1 34 PRO QB 1 35 CYS H . . 4.230 3.701 3.488 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 34 PRO QD 1 35 CYS H . . 4.620 2.944 2.715 3.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 34 PRO QD 1 61 ILE HA . . 4.900 2.796 2.502 3.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 34 PRO QD 1 61 ILE HB . . 6.210 4.712 4.487 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 34 PRO QD 1 61 ILE MD . . 6.380 3.116 2.494 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
423 1 34 PRO QD 1 61 ILE MG . . 4.610 2.311 2.019 2.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 34 PRO QG 1 35 CYS H . . 5.250 3.017 2.604 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 34 PRO QG 1 59 VAL QG . . 6.250 2.963 2.579 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 34 PRO QG 1 61 ILE QG . . 7.240 4.806 4.522 5.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 34 PRO QG 1 61 ILE MG . . 4.750 3.433 3.186 3.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 34 PRO HG2 1 59 VAL MG1 . . 8.490 3.060 2.655 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
429 1 34 PRO HG2 1 59 VAL MG2 . . 8.490 5.256 4.682 5.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
430 1 34 PRO HG2 1 61 ILE MG . . 5.060 3.683 3.387 3.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 34 PRO HG3 1 59 VAL MG1 . . 8.490 4.233 3.599 5.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 34 PRO HG3 1 59 VAL MG2 . . 8.490 6.378 5.466 6.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 34 PRO HG3 1 61 ILE MG . . 5.060 4.108 3.817 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 35 CYS H 1 35 CYS HB2 . . 3.830 3.461 2.454 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 35 CYS H 1 35 CYS QB . . 3.650 2.428 1.962 2.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 35 CYS H 1 35 CYS HB3 . . 3.830 2.485 2.005 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 35 CYS H 1 36 MET H . . 3.300 2.870 2.578 3.308 0.008 28 0 "[ . 1 . 2 . 3 ]" 1
438 1 35 CYS H 1 36 MET HA . . 4.530 4.599 4.500 4.679 0.149 28 0 "[ . 1 . 2 . 3 ]" 1
439 1 35 CYS H 1 37 HIS H . . 4.400 4.170 3.933 4.432 0.032 20 0 "[ . 1 . 2 . 3 ]" 1
440 1 35 CYS H 1 59 VAL QG . . 6.630 3.856 3.522 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 35 CYS H 1 61 ILE MD . . 5.500 3.050 2.764 3.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 35 CYS H 1 61 ILE MG . . 4.730 3.934 3.713 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 35 CYS HA 1 36 MET QG . . 5.570 4.117 3.299 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 35 CYS HA 1 59 VAL HB . . 4.720 3.681 2.434 4.735 0.015 14 0 "[ . 1 . 2 . 3 ]" 1
445 1 35 CYS HA 1 59 VAL QG . . 6.130 2.856 2.246 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 35 CYS QB 1 36 MET H . . 6.110 4.003 3.533 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 35 CYS QB 1 59 VAL HB . . 4.290 2.549 1.941 3.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 35 CYS QB 1 59 VAL QG . . 5.580 2.370 1.835 3.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 35 CYS HB2 1 59 VAL HB . . 4.460 2.715 2.158 4.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 35 CYS HB2 1 59 VAL MG1 . . 7.240 3.008 2.052 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 35 CYS HB2 1 59 VAL MG2 . . 7.240 3.717 2.452 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 35 CYS HB3 1 59 VAL HB . . 4.460 3.227 2.201 4.514 0.054 27 0 "[ . 1 . 2 . 3 ]" 1
453 1 35 CYS HB3 1 59 VAL MG1 . . 7.240 2.822 2.065 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 35 CYS HB3 1 59 VAL MG2 . . 7.240 4.237 3.340 5.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 36 MET H 1 36 MET HG2 . . 4.920 3.162 2.227 4.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 36 MET H 1 36 MET QG . . 4.580 2.580 2.110 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 36 MET H 1 36 MET HG3 . . 4.920 3.100 2.138 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 36 MET H 1 37 HIS H . . 3.540 3.281 2.747 3.626 0.086 28 0 "[ . 1 . 2 . 3 ]" 1
459 1 36 MET H 1 37 HIS QB . . 6.290 4.665 4.109 5.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
460 1 36 MET HA 1 36 MET HG2 . . 4.240 2.588 2.257 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 36 MET HA 1 36 MET QG . . 4.010 2.410 2.170 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 36 MET HA 1 36 MET HG3 . . 4.240 3.150 2.203 4.240 0.000 4 0 "[ . 1 . 2 . 3 ]" 1
463 1 37 HIS H 1 37 HIS HB2 . . 3.870 2.751 2.457 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 37 HIS H 1 37 HIS QB . . 3.540 2.674 2.378 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 37 HIS H 1 37 HIS HB3 . . 3.870 3.647 3.166 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 37 HIS H 1 38 LEU H . . 4.550 3.934 1.968 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 37 HIS H 1 38 LEU HA . . 5.220 4.432 4.001 4.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 37 HIS H 1 38 LEU QB . . 6.380 4.749 3.932 5.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 37 HIS HA 1 38 LEU QB . . 5.770 4.151 3.775 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 37 HIS QB 1 38 LEU H . . 4.400 3.386 2.149 3.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 37 HIS QB 1 38 LEU QB . . 6.740 4.958 4.420 5.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 37 HIS HB2 1 38 LEU H . . 4.730 4.442 3.599 4.739 0.009 19 0 "[ . 1 . 2 . 3 ]" 1
473 1 37 HIS HB3 1 38 LEU H . . 4.730 3.531 2.165 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 38 LEU H 1 38 LEU MD1 . . 5.500 4.167 3.801 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 38 LEU H 1 38 LEU QD . . 4.880 3.228 1.837 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 38 LEU H 1 38 LEU MD2 . . 5.500 3.471 1.840 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 38 LEU HA 1 38 LEU QD . . 4.280 3.096 2.286 3.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 38 LEU HA 1 39 PHE H . . 3.190 2.218 2.123 2.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 38 LEU QD 1 39 PHE H . . 6.200 3.116 2.174 4.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 38 LEU QD 1 39 PHE HA . . 6.880 3.161 2.461 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 38 LEU HG 1 39 PHE H . . 4.220 3.649 2.464 4.320 0.100 18 0 "[ . 1 . 2 . 3 ]" 1
482 1 39 PHE H 1 40 HIS HA . . 5.500 4.701 4.211 5.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 40 HIS H 1 43 CYS QB . . 6.060 3.600 2.231 5.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 40 HIS HA 1 41 GLN H . . 3.230 2.493 2.272 3.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 40 HIS QB 1 41 GLN H . . 4.600 3.362 2.174 3.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 40 HIS QB 1 41 GLN HA . . 5.720 4.638 3.957 5.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 40 HIS QB 1 41 GLN QB . . 6.600 4.768 4.146 5.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 40 HIS QB 1 42 VAL H . . 4.850 3.492 2.222 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 40 HIS QB 1 42 VAL HB . . 5.870 4.132 3.098 4.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 40 HIS QB 1 43 CYS QB . . 7.060 2.136 1.936 2.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 40 HIS HB2 1 41 GLN H . . 4.960 4.232 3.672 4.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 40 HIS HB2 1 43 CYS H . . 3.990 3.835 2.946 4.158 0.168 13 0 "[ . 1 . 2 . 3 ]" 1
493 1 40 HIS HB3 1 41 GLN H . . 4.960 3.611 2.190 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 40 HIS HB3 1 43 CYS H . . 3.990 2.404 1.944 2.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 41 GLN H 1 41 GLN HB2 . . 3.610 2.475 2.006 3.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 41 GLN H 1 41 GLN HB3 . . 3.610 2.777 2.391 3.630 0.020 25 0 "[ . 1 . 2 . 3 ]" 1
497 1 41 GLN H 1 41 GLN HG2 . . 5.350 4.414 3.097 5.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 41 GLN H 1 41 GLN QG . . 4.820 3.916 2.609 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 41 GLN H 1 41 GLN HG3 . . 5.350 4.404 2.808 4.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 41 GLN H 1 42 VAL H . . 4.090 2.786 2.019 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 41 GLN HA 1 41 GLN HG2 . . 4.070 2.716 2.133 3.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 41 GLN HA 1 41 GLN QG . . 3.840 2.325 2.114 2.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 41 GLN HA 1 41 GLN HG3 . . 4.070 2.966 2.213 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 41 GLN HA 1 42 VAL HA . . 4.780 4.697 4.418 4.795 0.015 29 0 "[ . 1 . 2 . 3 ]" 1
505 1 41 GLN HA 1 44 VAL H . . 4.690 4.161 3.683 4.699 0.009 22 0 "[ . 1 . 2 . 3 ]" 1
506 1 41 GLN QB 1 42 VAL H . . 4.260 2.662 2.116 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 41 GLN QB 1 43 CYS H . . 6.280 4.981 4.456 5.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 41 GLN HB2 1 42 VAL H . . 4.410 3.835 3.316 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 41 GLN HB3 1 42 VAL H . . 4.410 2.747 2.130 4.419 0.009 8 0 "[ . 1 . 2 . 3 ]" 1
510 1 42 VAL H 1 42 VAL HB . . 3.730 2.543 2.419 2.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 42 VAL H 1 43 CYS H . . 4.530 2.773 2.186 3.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 42 VAL H 1 44 VAL H . . 5.500 4.354 3.062 4.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 42 VAL HA 1 45 ASP H . . 4.680 3.617 3.303 3.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 42 VAL HA 1 45 ASP HB2 . . 4.410 3.822 2.637 4.461 0.051 15 0 "[ . 1 . 2 . 3 ]" 1
515 1 42 VAL HA 1 45 ASP QB . . 4.110 3.064 2.611 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 42 VAL HA 1 45 ASP HB3 . . 4.410 3.573 2.657 4.455 0.045 26 0 "[ . 1 . 2 . 3 ]" 1
517 1 42 VAL HB 1 43 CYS H . . 4.760 2.677 2.185 3.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 42 VAL HB 1 44 VAL H . . 5.500 5.247 4.816 5.542 0.042 14 0 "[ . 1 . 2 . 3 ]" 1
519 1 43 CYS H 1 44 VAL H . . 4.270 2.801 2.338 3.153 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 43 CYS H 1 45 ASP H . . 5.240 4.264 3.968 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 43 CYS QB 1 44 VAL H . . 4.900 2.422 2.102 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 43 CYS QB 1 45 ASP H . . 6.380 4.649 4.429 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 43 CYS HB2 1 44 VAL H . . 5.500 2.484 2.159 2.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 43 CYS HB3 1 44 VAL H . . 5.500 3.398 2.787 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 44 VAL H 1 45 ASP H . . 3.710 2.882 2.739 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 44 VAL H 1 45 ASP HA . . 5.500 5.462 5.341 5.554 0.054 8 0 "[ . 1 . 2 . 3 ]" 1
527 1 44 VAL H 1 45 ASP QB . . 6.070 4.665 4.386 4.946 . 0 0 "[ . 1 . 2 . 3 ]" 1
528 1 44 VAL HA 1 45 ASP HA . . 5.230 4.731 4.594 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 44 VAL HA 1 47 ARG H . . 4.840 3.850 3.505 4.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 44 VAL HA 1 47 ARG QB . . 5.380 3.790 3.509 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 44 VAL HA 1 47 ARG QD . . 6.060 5.153 4.738 5.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 44 VAL HA 1 48 LEU H . . 5.460 3.551 3.269 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 44 VAL HA 1 48 LEU QD . . 6.770 2.165 2.025 2.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 45 ASP H 1 45 ASP HB2 . . 3.890 2.352 2.044 2.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 45 ASP H 1 45 ASP QB . . 3.590 2.212 2.026 2.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 45 ASP H 1 45 ASP HB3 . . 3.890 2.880 2.475 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 45 ASP H 1 46 GLN QB . . 5.480 4.179 3.928 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 45 ASP HA 1 47 ARG H . . 5.320 4.876 4.456 5.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 45 ASP HA 1 48 LEU H . . 4.400 4.050 3.779 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 45 ASP HA 1 48 LEU HB2 . . 5.390 3.959 3.492 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 45 ASP HA 1 48 LEU QB . . 4.600 3.859 3.423 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 45 ASP HA 1 48 LEU HB3 . . 5.390 5.350 4.926 5.444 0.054 12 0 "[ . 1 . 2 . 3 ]" 1
543 1 46 GLN HA 1 49 ILE H . . 4.870 4.353 3.676 4.884 0.014 30 0 "[ . 1 . 2 . 3 ]" 1
544 1 46 GLN HA 1 49 ILE HB . . 4.970 4.482 2.963 5.049 0.079 31 0 "[ . 1 . 2 . 3 ]" 1
545 1 46 GLN HA 1 49 ILE HG12 . . 4.670 2.942 2.332 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 46 GLN HA 1 49 ILE QG . . 4.430 2.487 2.161 3.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 46 GLN HA 1 49 ILE HG13 . . 4.670 2.993 2.301 4.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 46 GLN QB 1 47 ARG HA . . 5.970 4.212 3.850 4.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 47 ARG H 1 47 ARG QD . . 5.760 4.405 4.188 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 47 ARG H 1 48 LEU H . . 3.670 2.590 2.241 2.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 47 ARG H 1 48 LEU HA . . 5.400 5.239 4.974 5.405 0.005 11 0 "[ . 1 . 2 . 3 ]" 1
552 1 47 ARG H 1 48 LEU QD . . 5.830 3.476 3.173 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 47 ARG HA 1 47 ARG QD . . 4.950 3.964 3.474 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 47 ARG HA 1 47 ARG QG . . 3.830 2.428 2.204 2.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 47 ARG QB 1 48 LEU H . . 4.170 2.876 2.685 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 47 ARG QB 1 48 LEU QD . . 6.140 2.264 2.065 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 47 ARG HB2 1 48 LEU H . . 4.320 4.102 3.914 4.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 47 ARG HB2 1 48 LEU MD1 . . 7.890 5.283 3.698 5.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 47 ARG HB2 1 48 LEU MD2 . . 7.890 3.875 3.580 5.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 47 ARG HB3 1 48 LEU H . . 4.320 2.939 2.725 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 47 ARG HB3 1 48 LEU MD1 . . 7.890 3.988 2.232 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 47 ARG HB3 1 48 LEU MD2 . . 7.890 2.367 2.086 4.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 47 ARG QG 1 48 LEU QD . . 7.740 2.710 2.259 3.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 47 ARG QG 1 51 ASN QB . . 6.920 4.525 3.074 5.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 48 LEU H 1 48 LEU HB2 . . 4.040 2.480 2.402 2.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 48 LEU H 1 48 LEU QB . . 3.540 2.441 2.369 2.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 48 LEU H 1 48 LEU HB3 . . 4.040 3.651 3.599 3.693 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 48 LEU H 1 49 ILE H . . 3.940 2.778 2.146 3.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 48 LEU H 1 49 ILE HA . . 4.940 4.905 4.683 5.024 0.084 31 0 "[ . 1 . 2 . 3 ]" 1
570 1 48 LEU HA 1 49 ILE QG . . 6.160 4.896 4.545 5.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 48 LEU QB 1 49 ILE H . . 5.030 3.506 2.206 3.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 48 LEU HB2 1 49 ILE H . . 5.500 3.778 2.250 4.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 48 LEU HB3 1 49 ILE H . . 5.500 4.224 3.175 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 48 LEU QD 1 53 LYS H . . 5.790 3.101 2.703 3.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 48 LEU QD 1 61 ILE QG . . 6.460 2.959 2.151 3.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 48 LEU MD1 1 61 ILE HG12 . . 8.420 4.094 3.175 6.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 48 LEU MD1 1 61 ILE HG13 . . 8.420 3.195 2.197 5.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 48 LEU MD2 1 61 ILE HG12 . . 8.420 6.038 4.190 6.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 48 LEU MD2 1 61 ILE HG13 . . 8.420 4.755 2.909 5.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 49 ILE H 1 49 ILE HB . . 3.600 2.900 2.265 3.646 0.046 16 0 "[ . 1 . 2 . 3 ]" 1
581 1 49 ILE H 1 49 ILE HG12 . . 4.370 2.956 2.142 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 49 ILE H 1 49 ILE HG13 . . 4.370 2.998 1.981 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 49 ILE HA 1 49 ILE HG12 . . 4.100 3.135 2.397 4.188 0.088 13 0 "[ . 1 . 2 . 3 ]" 1
584 1 49 ILE HA 1 49 ILE QG . . 3.890 2.854 2.236 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
585 1 49 ILE HA 1 49 ILE HG13 . . 4.100 3.456 2.662 3.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 49 ILE HA 1 51 ASN H . . 4.170 3.955 3.435 4.286 0.116 13 0 "[ . 1 . 2 . 3 ]" 1
587 1 49 ILE HB 1 50 THR H . . 5.060 3.190 2.044 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 50 THR HA 1 51 ASN QB . . 6.050 4.802 4.536 5.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 51 ASN HA 1 52 LYS QG . . 6.050 4.133 2.937 5.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 51 ASN HA 1 53 LYS H . . 5.240 4.859 4.287 5.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 51 ASN QB 1 52 LYS HA . . 5.730 4.146 3.597 4.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 51 ASN QB 1 53 LYS H . . 5.480 3.885 2.980 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 52 LYS H 1 52 LYS HG2 . . 5.500 3.573 2.281 5.143 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 52 LYS H 1 52 LYS QG . . 5.140 3.049 2.266 4.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 52 LYS H 1 52 LYS HG3 . . 5.500 3.800 2.421 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 52 LYS H 1 53 LYS H . . 5.040 2.796 2.251 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 52 LYS H 1 53 LYS HA . . 4.620 4.654 4.445 4.766 0.146 15 0 "[ . 1 . 2 . 3 ]" 1
598 1 52 LYS HA 1 53 LYS HA . . 4.690 4.288 3.939 4.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 52 LYS HA 1 61 ILE MG . . 5.470 3.768 3.257 4.217 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 52 LYS QB 1 53 LYS H . . 6.380 4.010 3.851 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 52 LYS QB 1 53 LYS HA . . 5.730 4.478 4.010 4.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 52 LYS QB 1 62 GLU H . . 6.040 2.402 1.865 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 52 LYS QB 1 62 GLU QB . . 5.490 2.624 1.897 4.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 52 LYS QD 1 62 GLU H . . 5.590 4.117 2.255 4.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 52 LYS QD 1 62 GLU QB . . 4.720 2.861 1.996 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 52 LYS HD2 1 62 GLU HB2 . . 5.840 4.182 2.202 5.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 52 LYS HD2 1 62 GLU HB3 . . 5.840 4.205 2.122 5.891 0.051 23 0 "[ . 1 . 2 . 3 ]" 1
608 1 52 LYS HD3 1 62 GLU HB2 . . 5.840 3.900 2.239 5.892 0.052 18 0 "[ . 1 . 2 . 3 ]" 1
609 1 52 LYS HD3 1 62 GLU HB3 . . 5.840 4.095 2.472 5.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 52 LYS QG 1 53 LYS HA . . 6.380 5.054 4.468 5.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 53 LYS H 1 60 ASP HA . . 5.500 4.707 4.031 5.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 53 LYS H 1 61 ILE MD . . 5.400 4.078 3.543 4.510 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 53 LYS H 1 61 ILE QG . . 6.380 2.560 1.999 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 53 LYS H 1 61 ILE MG . . 5.350 4.530 4.483 4.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
615 1 53 LYS HA 1 54 CYS H . . 3.210 2.340 2.208 2.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 53 LYS HA 1 59 VAL H . . 5.010 4.328 3.790 5.075 0.065 3 0 "[ . 1 . 2 . 3 ]" 1
617 1 53 LYS HA 1 60 ASP HA . . 2.540 2.460 1.998 2.616 0.076 10 0 "[ . 1 . 2 . 3 ]" 1
618 1 53 LYS HA 1 61 ILE H . . 3.420 2.737 2.262 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 53 LYS HA 1 61 ILE QG . . 5.700 2.316 2.056 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 53 LYS QB 1 54 CYS H . . 4.490 2.780 2.168 3.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 53 LYS QB 1 58 ARG HA . . 5.550 4.033 3.232 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 53 LYS QB 1 61 ILE H . . 5.540 4.307 3.592 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 53 LYS HB2 1 54 CYS H . . 4.970 3.150 2.183 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 53 LYS HB3 1 54 CYS H . . 4.970 3.683 2.574 4.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 54 CYS H 1 54 CYS QB . . 3.550 2.175 2.067 2.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 54 CYS H 1 57 CYS H . . 5.380 5.211 4.349 5.492 0.112 29 0 "[ . 1 . 2 . 3 ]" 1
627 1 54 CYS H 1 58 ARG H . . 5.120 4.167 3.305 5.170 0.050 6 0 "[ . 1 . 2 . 3 ]" 1
628 1 54 CYS H 1 58 ARG HA . . 4.640 3.960 2.740 4.641 0.001 3 0 "[ . 1 . 2 . 3 ]" 1
629 1 54 CYS H 1 59 VAL H . . 4.080 2.857 2.139 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 54 CYS H 1 59 VAL HB . . 4.860 4.417 3.796 4.936 0.076 27 0 "[ . 1 . 2 . 3 ]" 1
631 1 54 CYS H 1 59 VAL QG . . 7.060 4.203 3.106 4.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
632 1 54 CYS H 1 61 ILE H . . 5.230 4.468 3.763 5.237 0.007 2 0 "[ . 1 . 2 . 3 ]" 1
633 1 54 CYS H 1 61 ILE MD . . 5.070 2.737 2.236 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 54 CYS H 1 61 ILE HG12 . . 5.180 3.381 2.832 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 54 CYS H 1 61 ILE QG . . 5.010 3.263 2.752 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 54 CYS H 1 61 ILE HG13 . . 5.180 4.311 3.696 5.084 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 54 CYS HA 1 55 PRO QB . . 5.870 4.646 4.501 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 54 CYS HA 1 57 CYS H . . 5.500 4.933 4.134 5.657 0.157 10 0 "[ . 1 . 2 . 3 ]" 1
639 1 54 CYS HA 1 61 ILE MD . . 4.570 2.989 2.126 3.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 54 CYS HA 1 61 ILE QG . . 4.650 3.703 2.872 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 54 CYS QB 1 55 PRO HA . . 5.380 4.532 3.980 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
642 1 54 CYS QB 1 58 ARG H . . 4.640 2.813 2.015 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 54 CYS QB 1 58 ARG HA . . 5.850 3.854 2.593 5.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 54 CYS QB 1 59 VAL H . . 4.380 2.666 1.975 3.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 54 CYS QB 1 59 VAL HB . . 4.880 3.452 2.554 4.301 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 54 CYS QB 1 61 ILE MD . . 6.060 2.464 1.887 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 54 CYS HB2 1 58 ARG H . . 5.500 3.634 2.368 4.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 54 CYS HB3 1 58 ARG H . . 5.500 3.108 2.139 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 55 PRO HA 1 56 ILE HA . . 4.470 4.475 4.289 4.553 0.083 5 0 "[ . 1 . 2 . 3 ]" 1
650 1 56 ILE H 1 57 CYS H . . 5.360 2.783 1.983 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 57 CYS H 1 58 ARG H . . 3.840 2.782 1.936 4.060 0.220 31 0 "[ . 1 . 2 . 3 ]" 1
652 1 57 CYS H 1 59 VAL H . . 5.340 4.753 4.312 5.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 57 CYS QB 1 58 ARG H . . 6.370 2.545 1.890 3.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 57 CYS QB 1 59 VAL H . . 6.380 3.089 1.981 4.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 58 ARG H 1 58 ARG QD . . 6.220 4.963 3.985 5.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
656 1 58 ARG H 1 59 VAL H . . 3.960 2.859 2.606 3.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 58 ARG H 1 59 VAL HB . . 4.670 4.441 3.135 4.725 0.055 21 0 "[ . 1 . 2 . 3 ]" 1
658 1 58 ARG HA 1 58 ARG HD2 . . 5.090 4.364 3.766 4.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 58 ARG HA 1 58 ARG QD . . 4.820 3.807 2.556 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 58 ARG HA 1 58 ARG HD3 . . 5.090 4.291 2.600 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 58 ARG HB2 1 59 VAL H . . 5.340 4.556 4.143 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 58 ARG HB3 1 59 VAL H . . 5.340 4.315 3.390 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 59 VAL H 1 59 VAL HB . . 3.300 2.591 2.111 3.066 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 59 VAL H 1 59 VAL QG . . 4.150 2.811 2.147 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 59 VAL H 1 60 ASP H . . 4.550 4.367 4.197 4.583 0.033 21 0 "[ . 1 . 2 . 3 ]" 1
666 1 59 VAL H 1 60 ASP HA . . 5.480 4.811 4.430 5.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 59 VAL HA 1 60 ASP H . . 2.980 2.302 2.191 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 59 VAL HA 1 60 ASP HA . . 5.370 4.426 4.360 4.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 59 VAL HA 1 60 ASP QB . . 5.030 4.416 4.264 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 59 VAL HB 1 60 ASP H . . 4.420 4.209 3.973 4.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 59 VAL QG 1 60 ASP H . . 5.330 2.469 2.045 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 59 VAL QG 1 60 ASP HA . . 7.060 3.901 3.590 4.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 59 VAL QG 1 60 ASP QB . . 6.580 3.735 3.315 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 59 VAL QG 1 61 ILE MD . . 5.500 2.793 2.210 3.228 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 59 VAL MG1 1 60 ASP HB2 . . 8.550 4.175 3.613 5.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 59 VAL MG1 1 60 ASP HB3 . . 8.550 4.841 4.483 5.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 59 VAL MG2 1 60 ASP HB2 . . 8.550 5.573 3.565 6.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 59 VAL MG2 1 60 ASP HB3 . . 8.550 6.330 4.522 7.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 60 ASP H 1 60 ASP HB2 . . 3.780 2.577 2.198 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 60 ASP H 1 60 ASP QB . . 3.480 2.382 2.176 2.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 60 ASP H 1 60 ASP HB3 . . 3.780 3.413 2.782 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 60 ASP H 1 61 ILE H . . 5.220 4.521 4.450 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 60 ASP HA 1 61 ILE H . . 3.040 2.191 2.112 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 60 ASP HA 1 61 ILE HA . . 4.770 4.387 4.232 4.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 60 ASP HA 1 61 ILE MD . . 5.150 3.649 3.217 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 60 ASP HA 1 61 ILE QG . . 5.640 3.483 3.103 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 60 ASP QB 1 61 ILE H . . 4.330 3.204 2.913 3.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 60 ASP QB 1 61 ILE HA . . 6.120 4.669 4.487 4.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 60 ASP QB 1 62 GLU H . . 4.110 2.986 2.628 3.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 60 ASP HB2 1 61 ILE H . . 4.710 4.100 3.012 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
691 1 60 ASP HB2 1 62 GLU H . . 4.900 4.110 2.860 4.904 0.004 5 0 "[ . 1 . 2 . 3 ]" 1
692 1 60 ASP HB3 1 61 ILE H . . 4.710 3.491 2.988 4.241 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 60 ASP HB3 1 62 GLU H . . 4.900 3.353 2.669 4.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 61 ILE H 1 61 ILE HB . . 3.620 2.414 2.298 2.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 61 ILE H 1 61 ILE MD . . 4.710 2.818 2.596 3.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 61 ILE H 1 61 ILE HG12 . . 3.810 2.092 1.995 2.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 61 ILE H 1 61 ILE HG13 . . 3.810 3.586 3.513 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 61 ILE H 1 61 ILE MG . . 4.350 3.697 3.660 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 61 ILE H 1 62 GLU H . . 3.440 2.429 2.145 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 61 ILE H 1 62 GLU QB . . 5.320 4.264 3.893 4.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 61 ILE HA 1 61 ILE MD . . 4.480 2.097 2.020 2.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 61 ILE HA 1 61 ILE MG . . 3.530 2.421 2.291 2.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 61 ILE HA 1 62 GLU H . . 3.590 3.461 3.387 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 61 ILE HB 1 62 GLU H . . 4.290 2.924 2.529 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 61 ILE MD 1 61 ILE MG . . 3.700 2.091 2.001 2.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 61 ILE MD 1 62 GLU H . . 5.250 4.402 4.343 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 61 ILE QG 1 62 GLU H . . 5.250 4.021 3.644 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 61 ILE MG 1 62 GLU H . . 4.720 3.835 3.520 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 62 GLU H 1 62 GLU HB2 . . 3.480 2.778 2.220 3.566 0.086 29 0 "[ . 1 . 2 . 3 ]" 1
710 1 62 GLU H 1 62 GLU QB . . 3.310 2.423 2.105 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 62 GLU H 1 62 GLU HB3 . . 3.480 2.748 2.310 3.537 0.057 5 0 "[ . 1 . 2 . 3 ]" 1
712 1 63 ALA H 1 63 ALA MB . . 3.410 2.668 2.498 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 63 ALA H 1 64 GLN H . . 4.660 3.254 1.994 4.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 63 ALA H 1 64 GLN HA . . 4.470 4.465 4.276 4.537 0.067 1 0 "[ . 1 . 2 . 3 ]" 1
715 1 63 ALA HA 1 64 GLN H . . 3.140 2.611 2.254 3.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 63 ALA HA 1 64 GLN QB . . 5.980 4.159 3.763 4.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 63 ALA MB 1 64 GLN QB . . 5.680 4.100 3.822 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 64 GLN H 1 64 GLN QB . . 3.860 2.719 2.253 3.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 64 GLN HA 1 65 LEU H . . 3.030 2.334 2.123 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 64 GLN HA 1 65 LEU HA . . 4.660 4.428 3.750 4.670 0.010 17 0 "[ . 1 . 2 . 3 ]" 1
721 1 64 GLN QB 1 65 LEU H . . 4.530 3.707 2.174 4.070 . 0 0 "[ . 1 . 2 . 3 ]" 1
722 1 64 GLN HB2 1 65 LEU H . . 4.710 4.358 2.970 4.711 0.001 13 0 "[ . 1 . 2 . 3 ]" 1
723 1 64 GLN HB3 1 65 LEU H . . 4.710 4.073 2.191 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 66 PRO HA 1 67 SER H . . 3.270 2.436 2.160 3.413 0.143 1 0 "[ . 1 . 2 . 3 ]" 1
725 1 66 PRO QB 1 67 SER QB . . 6.210 4.504 3.305 4.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 67 SER H 1 69 SER H . . 5.460 5.144 3.797 5.628 0.168 1 0 "[ . 1 . 2 . 3 ]" 1
727 1 68 GLU H 1 69 SER H . . 4.960 3.225 2.080 4.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
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