NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
552095 |
2lx9   |
18668 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lx9
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 1164
_Distance_constraint_stats_list.Viol_count 2599
_Distance_constraint_stats_list.Viol_total 8197.790
_Distance_constraint_stats_list.Viol_max 0.541
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.1051
_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 GLN 11.758 0.541 14 2 "[ . 1 +. 2 . - 3]"
1 3 TYR 18.959 0.424 13 0 "[ . 1 . 2 . 3]"
1 4 THR 8.791 0.295 23 0 "[ . 1 . 2 . 3]"
1 5 PRO 7.640 0.355 12 0 "[ . 1 . 2 . 3]"
1 6 ASP 4.166 0.333 17 0 "[ . 1 . 2 . 3]"
1 7 THR 15.345 0.333 17 0 "[ . 1 . 2 . 3]"
1 8 ALA 5.926 0.198 18 0 "[ . 1 . 2 . 3]"
1 9 TRP 14.928 0.406 23 0 "[ . 1 . 2 . 3]"
1 10 LYS 2.095 0.161 6 0 "[ . 1 . 2 . 3]"
1 11 ILE 9.151 0.300 11 0 "[ . 1 . 2 . 3]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 GLY 0.384 0.069 13 0 "[ . 1 . 2 . 3]"
1 14 PHE 28.138 0.407 17 0 "[ . 1 . 2 . 3]"
1 15 SER 6.440 0.349 7 0 "[ . 1 . 2 . 3]"
1 16 ARG 2.316 0.349 7 0 "[ . 1 . 2 . 3]"
1 17 GLU 3.983 0.152 23 0 "[ . 1 . 2 . 3]"
1 18 ILE 7.968 0.191 30 0 "[ . 1 . 2 . 3]"
1 19 SER 0.790 0.073 7 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ALA 0.076 0.040 8 0 "[ . 1 . 2 . 3]"
1 22 TYR 17.447 0.201 17 0 "[ . 1 . 2 . 3]"
1 23 ARG 11.148 0.172 12 0 "[ . 1 . 2 . 3]"
1 24 GLN 6.738 0.369 1 0 "[ . 1 . 2 . 3]"
1 25 LYS 0.893 0.421 22 0 "[ . 1 . 2 . 3]"
1 26 LEU 18.902 0.326 23 0 "[ . 1 . 2 . 3]"
1 27 LEU 6.725 0.369 1 0 "[ . 1 . 2 . 3]"
1 28 SER 5.062 0.266 15 0 "[ . 1 . 2 . 3]"
1 29 LEU 5.892 0.435 21 0 "[ . 1 . 2 . 3]"
1 30 GLY 1.849 0.185 21 0 "[ . 1 . 2 . 3]"
1 31 MET 5.436 0.335 9 0 "[ . 1 . 2 . 3]"
1 32 LEU 18.565 0.435 21 0 "[ . 1 . 2 . 3]"
1 33 PRO 7.707 0.377 9 0 "[ . 1 . 2 . 3]"
1 34 GLY 7.707 0.377 9 0 "[ . 1 . 2 . 3]"
1 35 SER 1.022 0.087 10 0 "[ . 1 . 2 . 3]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 PHE 16.421 0.300 11 0 "[ . 1 . 2 . 3]"
1 38 ASN 1.868 0.126 4 0 "[ . 1 . 2 . 3]"
1 39 VAL 6.695 0.373 22 0 "[ . 1 . 2 . 3]"
1 40 VAL 5.640 0.267 16 0 "[ . 1 . 2 . 3]"
1 41 ARG 9.077 0.286 15 0 "[ . 1 . 2 . 3]"
1 42 VAL 1.971 0.355 12 0 "[ . 1 . 2 . 3]"
1 43 ALA 0.615 0.129 4 0 "[ . 1 . 2 . 3]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 LEU 0.216 0.098 18 0 "[ . 1 . 2 . 3]"
1 46 GLY 0.268 0.098 18 0 "[ . 1 . 2 . 3]"
1 47 ASP 1.499 0.091 14 0 "[ . 1 . 2 . 3]"
1 48 PRO 8.521 0.285 24 0 "[ . 1 . 2 . 3]"
1 49 ILE 31.326 0.465 14 0 "[ . 1 . 2 . 3]"
1 50 HIS 7.015 0.283 21 0 "[ . 1 . 2 . 3]"
1 51 ILE 9.053 0.286 15 0 "[ . 1 . 2 . 3]"
1 52 GLU 2.031 0.220 16 0 "[ . 1 . 2 . 3]"
1 53 THR 15.188 0.373 22 0 "[ . 1 . 2 . 3]"
1 54 ARG 2.442 0.216 8 0 "[ . 1 . 2 . 3]"
1 55 ARG 0.165 0.084 16 0 "[ . 1 . 2 . 3]"
1 56 VAL 8.755 0.354 12 0 "[ . 1 . 2 . 3]"
1 57 SER 5.240 0.354 12 0 "[ . 1 . 2 . 3]"
1 58 LEU 4.693 0.201 17 0 "[ . 1 . 2 . 3]"
1 59 VAL 7.079 0.355 28 0 "[ . 1 . 2 . 3]"
1 60 LEU 6.645 0.355 28 0 "[ . 1 . 2 . 3]"
1 61 ARG 12.194 0.299 28 0 "[ . 1 . 2 . 3]"
1 62 LYS 3.325 0.370 24 0 "[ . 1 . 2 . 3]"
1 63 LYS 5.478 0.365 22 0 "[ . 1 . 2 . 3]"
1 64 ASP 3.290 0.179 23 0 "[ . 1 . 2 . 3]"
1 65 LEU 26.872 0.465 14 0 "[ . 1 . 2 . 3]"
1 66 ALA 1.228 0.101 7 0 "[ . 1 . 2 . 3]"
1 67 LEU 4.369 0.242 8 0 "[ . 1 . 2 . 3]"
1 68 LEU 0.593 0.058 18 0 "[ . 1 . 2 . 3]"
1 69 GLU 8.419 0.407 17 0 "[ . 1 . 2 . 3]"
1 70 VAL 8.976 0.234 24 0 "[ . 1 . 2 . 3]"
1 71 GLU 10.705 0.364 15 0 "[ . 1 . 2 . 3]"
1 72 ALA 0.718 0.076 28 0 "[ . 1 . 2 . 3]"
1 73 VAL 12.907 0.364 15 0 "[ . 1 . 2 . 3]"
1 74 SER 2.457 0.221 6 0 "[ . 1 . 2 . 3]"
1 75 SER 2.026 0.192 12 0 "[ . 1 . 2 . 3]"
1 76 LEU 3.242 0.192 12 0 "[ . 1 . 2 . 3]"
1 77 GLU 1.298 0.171 28 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 GLN HA 1 4 THR MG 4.540 . 4.540 3.965 3.324 4.742 0.202 12 0 "[ . 1 . 2 . 3]" 1
2 1 2 GLN HA 1 2 GLN HG3 3.660 . 3.660 3.168 2.345 4.201 0.541 14 2 "[ . 1 +. 2 . - 3]" 1
3 1 3 TYR HB2 1 4 THR MG 5.500 . 5.500 4.793 4.465 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 3 TYR HB3 1 4 THR MG 5.500 . 5.500 4.758 4.518 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 PRO HD3 1 42 VAL MG1 4.640 . 4.640 4.167 3.468 4.698 0.058 27 0 "[ . 1 . 2 . 3]" 1
6 1 4 THR HB 1 5 PRO HD2 3.810 . 3.810 2.331 2.288 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 20 PRO HA 1 23 ARG HB2 5.500 . 5.500 3.485 3.278 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 11 ILE MG 1 33 PRO HA 4.310 . 4.310 2.441 2.199 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 11 ILE MG 1 33 PRO HB2 3.970 . 3.970 3.710 3.449 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 11 ILE MG 1 33 PRO HB3 3.970 . 3.970 2.246 2.084 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 20 PRO HA 1 23 ARG HB3 3.560 . 3.560 2.600 2.435 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 26 LEU MD1 1 33 PRO HD3 4.440 . 4.440 2.228 2.044 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 32 LEU HB3 1 33 PRO HD2 4.710 . 4.710 2.261 2.210 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 32 LEU HB3 1 33 PRO HD3 4.710 . 4.710 3.471 3.329 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 43 ALA HA 1 44 PRO HD2 3.950 . 3.950 2.302 2.219 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 43 ALA MB 1 44 PRO HD2 4.250 . 4.250 3.401 3.292 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 47 ASP HA 1 48 PRO HA 4.400 . 4.400 4.388 4.368 4.425 0.025 4 0 "[ . 1 . 2 . 3]" 1
18 1 48 PRO HA 1 61 ARG HA 4.250 . 4.250 2.652 2.305 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 48 PRO HA 1 49 ILE HG12 4.790 . 4.790 3.357 3.176 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 48 PRO HB2 1 49 ILE HA 4.410 . 4.410 4.501 4.417 4.573 0.163 23 0 "[ . 1 . 2 . 3]" 1
21 1 7 THR HA 1 7 THR MG 3.520 . 3.520 2.697 2.194 3.194 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 THR MG 1 39 VAL HB 5.500 . 5.500 3.996 2.494 5.512 0.012 28 0 "[ . 1 . 2 . 3]" 1
23 1 8 ALA HA 1 9 TRP HD1 4.860 . 4.860 3.912 3.622 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 9 TRP HA 1 72 ALA HA 4.030 . 4.030 2.822 2.347 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 9 TRP HA 1 70 VAL MG1 5.500 . 5.500 5.138 4.897 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 9 TRP HA 1 72 ALA MB 5.500 . 5.500 4.259 3.714 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 9 TRP HA 1 37 PHE QE 5.290 . 5.290 5.027 4.820 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 70 VAL MG2 1 71 GLU HA 4.090 . 4.090 3.822 3.685 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 27 LEU HA 1 27 LEU MD1 4.250 . 4.250 2.900 2.124 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 26 LEU HA 1 32 LEU MD1 5.390 . 5.390 3.719 3.143 5.427 0.037 9 0 "[ . 1 . 2 . 3]" 1
31 1 26 LEU HA 1 32 LEU MD2 5.390 . 5.390 5.127 3.603 5.562 0.172 12 0 "[ . 1 . 2 . 3]" 1
32 1 48 PRO HB2 1 49 ILE HG12 4.430 . 4.430 4.536 4.142 4.715 0.285 24 0 "[ . 1 . 2 . 3]" 1
33 1 49 ILE HA 1 49 ILE HG12 3.940 . 3.940 3.331 3.284 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 49 ILE HG12 1 60 LEU HA 5.500 . 5.500 5.531 5.347 5.663 0.163 1 0 "[ . 1 . 2 . 3]" 1
35 1 11 ILE HB 1 33 PRO HA 5.270 . 5.270 2.735 2.319 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 11 ILE MG 1 12 THR HA 4.560 . 4.560 4.041 3.956 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 12 THR HA 1 12 THR MG 3.630 . 3.630 2.298 2.234 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 14 PHE HA 1 68 LEU HA 4.020 . 4.020 2.835 2.561 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 14 PHE HA 1 14 PHE QD 4.200 . 4.200 3.589 3.487 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 25 LYS HA 1 25 LYS HE2 5.500 . 5.500 4.415 3.049 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 25 LYS HA 1 25 LYS HE3 5.500 . 5.500 4.647 3.828 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 15 SER HB3 1 18 ILE HB 5.500 . 5.500 3.658 2.842 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 15 SER HB2 1 18 ILE HB 5.500 . 5.500 4.163 3.041 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 16 ARG HA 1 18 ILE MG 5.500 . 5.500 3.194 3.058 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 17 GLU HB3 1 18 ILE HA 4.510 . 4.510 4.367 4.110 4.652 0.142 26 0 "[ . 1 . 2 . 3]" 1
46 1 37 PHE HA 1 53 THR MG 4.590 . 4.590 3.777 2.529 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 52 GLU HA 1 53 THR MG 5.080 . 5.080 3.259 3.106 3.375 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 11 ILE MD 1 37 PHE HA 5.370 . 5.370 4.623 4.388 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 52 GLU HA 1 57 SER HA 3.140 . 3.140 2.314 2.255 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 52 GLU HB2 1 53 THR MG 5.500 . 5.500 5.020 4.610 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 52 GLU HB3 1 53 THR MG 5.500 . 5.500 4.846 4.531 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 40 VAL MG1 1 52 GLU HG2 4.730 . 4.730 3.806 2.165 4.950 0.220 16 0 "[ . 1 . 2 . 3]" 1
53 1 40 VAL MG1 1 52 GLU HG3 4.730 . 4.730 3.236 2.158 4.738 0.008 12 0 "[ . 1 . 2 . 3]" 1
54 1 69 GLU HA 1 69 GLU HG2 3.960 . 3.960 2.680 2.457 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 69 GLU HA 1 69 GLU HG3 3.960 . 3.960 3.261 2.893 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 48 PRO HB2 1 60 LEU HA 5.150 . 5.150 4.712 3.857 5.232 0.082 15 0 "[ . 1 . 2 . 3]" 1
57 1 18 ILE HA 1 18 ILE HG13 3.510 . 3.510 2.928 2.837 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 18 ILE HA 1 18 ILE MG 3.670 . 3.670 3.193 3.184 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 18 ILE HA 1 18 ILE MD 3.550 . 3.550 2.128 2.102 2.153 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 18 ILE HB 1 18 ILE MD 3.650 . 3.650 2.265 2.243 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 51 ILE MD 1 51 ILE MG 3.450 . 3.450 1.951 1.821 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 51 ILE MD 1 53 THR MG 3.410 . 3.410 3.049 2.751 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 37 PHE HB2 1 51 ILE MD 4.530 . 4.530 3.744 2.609 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 37 PHE HB3 1 51 ILE MD 5.140 . 5.140 4.276 3.163 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 51 ILE MD 1 53 THR HB 5.500 . 5.500 5.493 5.063 5.687 0.187 2 0 "[ . 1 . 2 . 3]" 1
66 1 51 ILE MD 1 58 LEU HA 5.500 . 5.500 5.012 4.801 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 51 ILE MD 1 52 GLU HA 5.320 . 5.320 5.016 4.622 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 18 ILE HG12 1 18 ILE MG 3.710 . 3.710 2.362 2.343 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 14 PHE HB3 1 18 ILE MG 4.130 . 4.130 3.883 3.703 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 18 ILE MG 1 23 ARG HD2 4.580 . 4.580 3.303 2.320 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 18 ILE MG 1 23 ARG HD3 4.580 . 4.580 3.133 2.203 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 14 PHE HB2 1 18 ILE MG 3.900 . 3.900 2.488 2.311 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 15 SER HA 1 18 ILE MG 5.170 . 5.170 4.731 4.649 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 14 PHE HA 1 18 ILE MG 5.080 . 5.080 4.727 4.561 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 14 PHE QD 1 18 ILE MG 4.760 . 4.760 2.424 2.282 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 18 ILE MG 1 22 TYR QD 4.990 . 4.990 4.043 3.983 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 18 ILE MD 1 22 TYR HA 5.500 . 5.500 4.820 4.523 5.042 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 22 TYR HA 1 26 LEU MD2 5.500 . 5.500 3.903 3.829 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 18 ILE HG13 1 22 TYR HB2 4.620 . 4.620 4.137 3.949 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 18 ILE HG13 1 22 TYR HB3 4.370 . 4.370 2.496 2.337 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 18 ILE HA 1 22 TYR HB3 5.500 . 5.500 4.838 4.600 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 18 ILE MD 1 22 TYR HB2 4.570 . 4.570 3.313 2.979 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 18 ILE MD 1 22 TYR HB3 4.350 . 4.350 2.502 2.216 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 18 ILE MG 1 22 TYR HB3 4.690 . 4.690 4.344 4.192 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 23 ARG HA 1 26 LEU MD2 4.220 . 4.220 3.196 2.867 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 18 ILE MG 1 23 ARG HB2 4.050 . 4.050 2.228 2.160 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 18 ILE HG12 1 23 ARG HB2 3.640 . 3.640 3.134 2.817 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 18 ILE HG13 1 23 ARG HB2 3.790 . 3.790 3.025 2.798 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 11 ILE MD 1 37 PHE HB3 3.620 . 3.620 2.740 2.499 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 26 LEU HA 1 29 LEU MD2 4.510 . 4.510 3.629 2.292 4.658 0.148 15 0 "[ . 1 . 2 . 3]" 1
91 1 3 TYR HA 1 4 THR MG 4.140 . 4.140 3.265 2.994 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 26 LEU HB2 1 26 LEU MD2 3.190 . 3.190 2.361 2.295 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 25 LYS HB2 1 26 LEU MD2 4.060 . 4.060 3.211 2.587 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 25 LYS HB3 1 26 LEU MD2 4.060 . 4.060 2.855 2.248 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 14 PHE HB3 1 26 LEU MD2 4.500 . 4.500 4.043 3.794 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 26 LEU HA 1 26 LEU MD2 3.310 . 3.310 2.319 2.271 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 39 VAL HA 1 39 VAL MG1 3.580 . 3.580 2.273 2.237 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 4 THR HA 1 39 VAL MG1 5.480 . 5.480 5.296 4.729 5.502 0.022 3 0 "[ . 1 . 2 . 3]" 1
99 1 14 PHE HA 1 26 LEU MD2 5.500 . 5.500 5.714 5.553 5.826 0.326 23 0 "[ . 1 . 2 . 3]" 1
100 1 22 TYR QD 1 26 LEU MD2 4.780 . 4.780 2.891 2.769 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 49 ILE MG 1 65 LEU HB2 5.360 . 5.360 4.398 4.165 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 49 ILE MG 1 65 LEU HB3 5.500 . 5.500 4.759 4.270 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 65 LEU HB3 1 70 VAL MG2 5.500 . 5.500 4.016 3.662 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 31 MET HA 1 32 LEU HB2 4.820 . 4.820 4.504 4.406 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 26 LEU HB3 1 32 LEU HA 4.360 . 4.360 4.165 3.214 4.455 0.095 24 0 "[ . 1 . 2 . 3]" 1
106 1 30 GLY HA2 1 32 LEU HB2 5.280 . 5.280 4.618 4.045 5.328 0.048 15 0 "[ . 1 . 2 . 3]" 1
107 1 37 PHE HA 1 53 THR HB 4.550 . 4.550 3.694 3.258 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 ALA HA 1 38 ASN HA 3.780 . 3.780 2.898 2.643 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 ALA MB 1 38 ASN HA 4.420 . 4.420 4.294 4.034 4.546 0.126 4 0 "[ . 1 . 2 . 3]" 1
110 1 39 VAL MG2 1 51 ILE MG 3.340 . 3.340 2.201 2.086 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 39 VAL MG2 1 51 ILE HB 4.680 . 4.680 3.724 3.326 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 39 VAL HA 1 39 VAL MG2 3.380 . 3.380 2.407 2.287 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 4 THR HA 1 4 THR MG 3.550 . 3.550 2.743 2.275 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 8 ALA HA 1 39 VAL MG2 5.500 . 5.500 4.783 4.405 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 38 ASN HA 1 39 VAL MG2 4.820 . 4.820 3.382 3.254 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 39 VAL MG2 1 51 ILE HA 5.500 . 5.500 3.819 3.588 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 37 PHE QD 1 39 VAL MG2 4.150 . 4.150 3.431 3.261 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 4 THR MG 1 9 TRP HZ2 4.540 . 4.540 4.049 2.856 4.572 0.032 8 0 "[ . 1 . 2 . 3]" 1
119 1 4 THR MG 1 5 PRO HD2 3.760 . 3.760 3.863 2.948 3.996 0.236 20 0 "[ . 1 . 2 . 3]" 1
120 1 40 VAL HB 1 50 HIS HB2 5.500 . 5.500 5.597 5.476 5.767 0.267 16 0 "[ . 1 . 2 . 3]" 1
121 1 40 VAL HB 1 50 HIS HB3 5.500 . 5.500 4.949 4.788 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 40 VAL MG1 1 50 HIS HB2 4.180 . 4.180 2.621 2.535 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 40 VAL MG1 1 50 HIS HB3 4.370 . 4.370 2.277 2.167 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 40 VAL MG1 1 41 ARG HB3 3.730 . 3.730 3.770 3.746 3.800 0.070 18 0 "[ . 1 . 2 . 3]" 1
125 1 40 VAL HA 1 40 VAL MG1 3.560 . 3.560 3.194 3.171 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 42 VAL HA 1 42 VAL MG1 3.740 . 3.740 2.347 2.235 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 40 VAL MG1 1 50 HIS HA 4.440 . 4.440 3.746 3.634 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 40 VAL MG1 1 51 ILE HA 3.920 . 3.920 2.297 2.264 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 41 ARG HB2 1 50 HIS HB2 5.500 . 5.500 5.245 4.895 5.520 0.020 15 0 "[ . 1 . 2 . 3]" 1
130 1 41 ARG HB3 1 50 HIS HB2 5.500 . 5.500 5.201 4.882 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 40 VAL HB 1 41 ARG HG2 4.640 . 4.640 4.617 4.528 4.661 0.021 1 0 "[ . 1 . 2 . 3]" 1
132 1 50 HIS HB3 1 59 VAL HA 5.500 . 5.500 4.733 4.446 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 49 ILE HA 1 49 ILE HG13 3.940 . 3.940 3.814 3.764 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 49 ILE HA 1 49 ILE MG 3.560 . 3.560 2.232 2.188 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 5 PRO HD3 1 42 VAL MG2 4.640 . 4.640 3.176 2.192 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 42 VAL HA 1 42 VAL MG2 3.740 . 3.740 2.713 2.241 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 4 THR HA 1 42 VAL MG2 4.400 . 4.400 3.035 2.300 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 4 THR HA 1 42 VAL MG1 4.400 . 4.400 3.772 2.512 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 3 TYR QD 1 42 VAL MG1 5.500 . 5.500 3.844 3.273 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 40 VAL MG1 1 50 HIS HD2 5.500 . 5.500 5.241 4.750 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 42 VAL HB 1 43 ALA HA 5.500 . 5.500 5.002 4.782 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 43 ALA HA 1 44 PRO HD3 3.950 . 3.950 2.370 2.206 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 43 ALA MB 1 44 PRO HD3 4.250 . 4.250 3.944 3.823 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 42 VAL HA 1 43 ALA MB 4.050 . 4.050 4.002 3.958 4.074 0.024 26 0 "[ . 1 . 2 . 3]" 1
145 1 45 LEU HA 1 45 LEU MD2 4.470 . 4.470 2.815 2.117 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 45 LEU HB2 1 45 LEU MD1 3.660 . 3.660 2.442 2.209 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 45 LEU HB2 1 45 LEU MD2 3.660 . 3.660 2.763 2.299 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 45 LEU HB3 1 45 LEU MD2 3.660 . 3.660 2.434 2.221 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 45 LEU HB3 1 45 LEU MD1 3.660 . 3.660 2.690 2.245 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 45 LEU HA 1 45 LEU MD1 4.470 . 4.470 3.003 2.094 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 59 VAL HA 1 59 VAL MG2 3.720 . 3.720 2.324 2.224 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 49 ILE MG 1 65 LEU HG 3.860 . 3.860 3.692 2.294 4.325 0.465 14 0 "[ . 1 . 2 . 3]" 1
153 1 39 VAL HB 1 51 ILE MG 4.480 . 4.480 4.314 4.211 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 37 PHE HB2 1 51 ILE MG 5.300 . 5.300 5.010 4.042 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 39 VAL HA 1 51 ILE MG 3.440 . 3.440 2.540 2.291 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 50 HIS HA 1 59 VAL HA 3.590 . 3.590 2.462 2.304 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 50 HIS HA 1 51 ILE MG 5.500 . 5.500 3.702 3.578 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 50 HIS HA 1 59 VAL HB 5.500 . 5.500 3.185 2.733 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 50 HIS HA 1 59 VAL MG2 4.700 . 4.700 2.509 2.255 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 41 ARG HG2 1 51 ILE HA 5.500 . 5.500 5.704 5.649 5.786 0.286 15 0 "[ . 1 . 2 . 3]" 1
161 1 51 ILE HA 1 53 THR MG 5.500 . 5.500 5.073 4.836 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 39 VAL HA 1 51 ILE HA 4.450 . 4.450 2.296 2.264 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 40 VAL MG1 1 51 ILE HB 4.610 . 4.610 4.417 4.386 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 51 ILE HB 1 53 THR MG 3.650 . 3.650 3.596 3.344 3.803 0.153 3 0 "[ . 1 . 2 . 3]" 1
165 1 37 PHE HA 1 53 THR HA 5.140 . 5.140 3.617 3.041 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 52 GLU HA 1 53 THR HA 5.500 . 5.500 4.415 4.396 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 37 PHE HB2 1 53 THR HA 5.340 . 5.340 3.379 2.487 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 37 PHE HB2 1 53 THR HB 5.160 . 5.160 3.327 2.983 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 37 PHE HB3 1 53 THR HB 5.500 . 5.500 3.356 2.783 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 53 THR MG 1 56 VAL HB 5.500 . 5.500 4.928 2.239 5.743 0.243 10 0 "[ . 1 . 2 . 3]" 1
171 1 37 PHE HB2 1 53 THR MG 4.490 . 4.490 2.204 2.039 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 39 VAL HA 1 53 THR MG 5.500 . 5.500 5.672 5.519 5.873 0.373 22 0 "[ . 1 . 2 . 3]" 1
173 1 55 ARG HA 1 55 ARG HD2 5.500 . 5.500 3.946 2.290 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 55 ARG HA 1 55 ARG HD3 5.500 . 5.500 4.025 2.233 5.503 0.003 23 0 "[ . 1 . 2 . 3]" 1
175 1 56 VAL HB 1 57 SER HA 5.500 . 5.500 5.183 4.337 5.854 0.354 12 0 "[ . 1 . 2 . 3]" 1
176 1 52 GLU HB2 1 57 SER HA 5.500 . 5.500 4.789 3.864 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 52 GLU HB3 1 57 SER HA 5.500 . 5.500 4.449 3.837 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 5 PRO HA 1 39 VAL MG1 4.940 . 4.940 3.105 2.785 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 11 ILE MD 1 33 PRO HA 4.580 . 4.580 3.149 2.920 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 48 PRO HB2 1 59 VAL MG2 4.230 . 4.230 2.397 2.041 4.252 0.022 15 0 "[ . 1 . 2 . 3]" 1
181 1 59 VAL MG2 1 60 LEU HA 5.090 . 5.090 3.733 3.461 5.445 0.355 28 0 "[ . 1 . 2 . 3]" 1
182 1 48 PRO HB2 1 59 VAL MG1 4.230 . 4.230 4.041 2.166 4.319 0.089 25 0 "[ . 1 . 2 . 3]" 1
183 1 59 VAL HA 1 59 VAL MG1 3.720 . 3.720 3.118 2.377 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 59 VAL MG1 1 60 LEU HA 5.090 . 5.090 3.916 3.388 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 50 HIS HA 1 59 VAL MG1 4.700 . 4.700 4.326 3.204 4.902 0.202 21 0 "[ . 1 . 2 . 3]" 1
186 1 59 VAL HA 1 60 LEU HA 4.600 . 4.600 4.433 4.392 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 48 PRO HB2 1 61 ARG HA 4.470 . 4.470 3.791 3.184 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 61 ARG HB3 1 62 LYS HA 4.940 . 4.940 4.830 4.630 5.046 0.106 30 0 "[ . 1 . 2 . 3]" 1
189 1 61 ARG HB3 1 63 LYS HA 5.500 . 5.500 5.419 5.066 5.584 0.084 19 0 "[ . 1 . 2 . 3]" 1
190 1 14 PHE HB2 1 18 ILE HG12 3.270 . 3.270 2.332 2.264 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 14 PHE HB2 1 18 ILE HB 3.260 . 3.260 2.529 2.378 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 PHE HB2 1 23 ARG HB2 5.160 . 5.160 4.523 4.110 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 PHE HB2 1 18 ILE MD 4.630 . 4.630 3.160 3.030 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 61 ARG HA 1 61 ARG HD3 4.340 . 4.340 4.178 2.267 4.603 0.263 25 0 "[ . 1 . 2 . 3]" 1
195 1 61 ARG HA 1 61 ARG HD2 4.340 . 4.340 4.056 2.296 4.621 0.281 28 0 "[ . 1 . 2 . 3]" 1
196 1 49 ILE HG12 1 62 LYS HA 4.050 . 4.050 3.037 2.582 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 62 LYS HA 1 65 LEU HB2 4.650 . 4.650 2.827 2.441 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 49 ILE MD 1 62 LYS HB2 4.940 . 4.940 3.243 2.338 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 49 ILE MD 1 62 LYS HB3 4.940 . 4.940 3.254 2.316 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 63 LYS HA 1 63 LYS HD2 5.500 . 5.500 4.580 4.180 5.511 0.011 13 0 "[ . 1 . 2 . 3]" 1
201 1 63 LYS HA 1 63 LYS HD3 5.500 . 5.500 4.517 4.193 5.506 0.006 29 0 "[ . 1 . 2 . 3]" 1
202 1 60 LEU MD2 1 64 ASP HB2 5.320 . 5.320 3.470 2.467 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 49 ILE MG 1 65 LEU MD1 3.720 . 3.720 3.003 2.487 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 65 LEU HA 1 65 LEU MD1 4.000 . 4.000 2.295 2.152 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 49 ILE HA 1 65 LEU MD1 5.500 . 5.500 5.430 4.880 5.903 0.403 17 0 "[ . 1 . 2 . 3]" 1
206 1 3 TYR QE 1 65 LEU MD1 4.860 . 4.860 3.639 2.310 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 63 LYS HA 1 66 ALA MB 3.470 . 3.470 2.682 2.440 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 68 LEU HA 1 68 LEU MD2 4.610 . 4.610 3.164 2.129 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 48 PRO HB3 1 61 ARG HA 4.290 . 4.290 2.988 2.304 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 11 ILE HA 1 70 VAL HA 4.260 . 4.260 3.171 2.920 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 70 VAL HA 1 71 GLU HB2 5.500 . 5.500 4.288 4.126 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 70 VAL HA 1 71 GLU HB3 5.500 . 5.500 5.250 4.583 5.614 0.114 2 0 "[ . 1 . 2 . 3]" 1
213 1 9 TRP HB3 1 70 VAL HB 5.500 . 5.500 2.671 2.418 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 9 TRP HB2 1 70 VAL HB 5.500 . 5.500 4.380 4.109 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 11 ILE HA 1 70 VAL MG1 3.360 . 3.360 2.790 2.455 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 70 VAL HA 1 70 VAL MG1 3.570 . 3.570 2.357 2.302 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 37 PHE QD 1 70 VAL MG1 4.250 . 4.250 4.373 4.279 4.484 0.234 24 0 "[ . 1 . 2 . 3]" 1
218 1 71 GLU HA 1 72 ALA MB 4.130 . 4.130 4.008 3.968 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 72 ALA MB 1 73 VAL HA 4.750 . 4.750 4.245 4.043 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 73 VAL HA 1 73 VAL MG2 3.470 . 3.470 2.587 2.286 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 8 ALA MB 1 73 VAL HB 4.290 . 4.290 3.193 2.317 4.426 0.136 4 0 "[ . 1 . 2 . 3]" 1
222 1 10 LYS HE2 1 73 VAL MG2 5.500 . 5.500 4.538 2.474 5.661 0.161 6 0 "[ . 1 . 2 . 3]" 1
223 1 10 LYS HE3 1 73 VAL MG2 5.500 . 5.500 3.930 2.214 5.587 0.087 2 0 "[ . 1 . 2 . 3]" 1
224 1 73 VAL MG2 1 74 SER HA 5.500 . 5.500 5.180 3.727 5.658 0.158 16 0 "[ . 1 . 2 . 3]" 1
225 1 73 VAL HB 1 74 SER HA 4.800 . 4.800 4.626 3.919 4.974 0.174 16 0 "[ . 1 . 2 . 3]" 1
226 1 75 SER HA 1 76 LEU HB2 5.500 . 5.500 4.652 4.181 5.659 0.159 23 0 "[ . 1 . 2 . 3]" 1
227 1 75 SER HA 1 76 LEU HB3 5.500 . 5.500 5.091 4.432 5.692 0.192 12 0 "[ . 1 . 2 . 3]" 1
228 1 15 SER HA 1 18 ILE H 5.500 . 5.500 4.562 4.448 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 10 LYS HA 1 36 SER HA 3.700 . 3.700 2.314 2.294 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 62 LYS HA 1 62 LYS HE2 5.500 . 5.500 5.059 4.311 5.744 0.244 24 0 "[ . 1 . 2 . 3]" 1
231 1 62 LYS HA 1 62 LYS HE3 5.500 . 5.500 4.972 4.484 5.870 0.370 24 0 "[ . 1 . 2 . 3]" 1
232 1 49 ILE MD 1 62 LYS HA 3.720 . 3.720 3.009 2.595 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 49 ILE HA 1 49 ILE MD 3.250 . 3.250 2.189 2.141 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 11 ILE MD 1 35 SER HA 4.770 . 4.770 4.796 4.610 4.857 0.087 10 0 "[ . 1 . 2 . 3]" 1
235 1 48 PRO HA 1 49 ILE MD 4.290 . 4.290 3.234 3.060 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 14 PHE HB3 1 18 ILE HB 4.550 . 4.550 3.961 3.745 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 60 LEU MD1 1 64 ASP HB2 5.320 . 5.320 3.812 3.160 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 60 LEU MD1 1 64 ASP HB3 5.320 . 5.320 3.101 2.372 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 60 LEU HA 1 60 LEU MD1 4.560 . 4.560 3.640 2.235 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 26 LEU HB3 1 26 LEU MD1 3.590 . 3.590 2.278 2.258 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 26 LEU MD1 1 33 PRO HD2 4.440 . 4.440 3.548 3.243 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 26 LEU HA 1 26 LEU MD1 3.790 . 3.790 2.114 2.082 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 26 LEU MD1 1 32 LEU HA 4.070 . 4.070 2.358 2.114 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 14 PHE QE 1 26 LEU MD1 4.280 . 4.280 3.553 3.191 4.358 0.078 5 0 "[ . 1 . 2 . 3]" 1
245 1 26 LEU HA 1 29 LEU MD1 4.510 . 4.510 2.836 2.074 4.676 0.166 17 0 "[ . 1 . 2 . 3]" 1
246 1 29 LEU HA 1 29 LEU MD1 4.160 . 4.160 3.306 2.209 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 29 LEU HA 1 29 LEU MD2 4.160 . 4.160 3.940 2.451 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 12 THR MG 1 70 VAL HA 5.500 . 5.500 4.353 2.530 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 40 VAL MG2 1 41 ARG HG3 4.250 . 4.250 3.873 3.819 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 40 VAL MG2 1 41 ARG HB3 3.720 . 3.720 2.696 2.566 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 40 VAL HA 1 40 VAL MG2 3.350 . 3.350 2.457 2.427 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 26 LEU HB3 1 26 LEU HG 2.980 . 2.980 2.476 2.452 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 23 ARG HA 1 26 LEU HG 5.280 . 5.280 4.287 4.088 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 26 LEU HA 1 26 LEU HG 3.910 . 3.910 3.617 3.594 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 10 LYS HE2 1 73 VAL MG1 5.500 . 5.500 5.013 2.497 5.653 0.153 1 0 "[ . 1 . 2 . 3]" 1
256 1 10 LYS HE3 1 73 VAL MG1 5.500 . 5.500 4.324 2.277 5.591 0.091 3 0 "[ . 1 . 2 . 3]" 1
257 1 73 VAL MG1 1 74 SER HA 5.500 . 5.500 4.072 3.294 5.590 0.090 22 0 "[ . 1 . 2 . 3]" 1
258 1 73 VAL HA 1 73 VAL MG1 3.470 . 3.470 2.295 2.216 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 25 LYS HA 1 25 LYS HG2 4.190 . 4.190 2.831 2.383 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 ILE MD 1 23 ARG HB2 5.010 . 5.010 4.430 4.198 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ILE MD 1 23 ARG HA 4.700 . 4.700 4.658 4.529 4.743 0.043 23 0 "[ . 1 . 2 . 3]" 1
262 1 14 PHE QD 1 18 ILE MD 4.680 . 4.680 4.557 4.463 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 39 VAL HA 1 51 ILE MD 5.500 . 5.500 4.884 4.764 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 51 ILE MD 1 59 VAL HA 5.500 . 5.500 4.408 4.153 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 11 ILE MG 1 37 PHE QD 3.840 . 3.840 4.106 4.072 4.140 0.300 11 0 "[ . 1 . 2 . 3]" 1
266 1 26 LEU HG 1 32 LEU HA 5.100 . 5.100 4.759 4.443 5.201 0.101 12 0 "[ . 1 . 2 . 3]" 1
267 1 67 LEU HA 1 67 LEU MD1 3.870 . 3.870 3.109 2.159 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 67 LEU HA 1 67 LEU MD2 3.870 . 3.870 2.584 2.112 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 49 ILE MG 1 65 LEU MD2 3.720 . 3.720 2.295 1.915 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 65 LEU HA 1 65 LEU MD2 4.000 . 4.000 3.310 2.168 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 49 ILE HA 1 65 LEU MD2 5.500 . 5.500 4.781 4.617 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 3 TYR QE 1 65 LEU MD2 4.860 . 4.860 2.528 1.995 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 49 ILE HA 1 50 HIS HB2 4.890 . 4.890 4.508 4.439 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 63 LYS HA 1 63 LYS HE2 5.500 . 5.500 4.915 4.622 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 63 LYS HA 1 63 LYS HE3 5.500 . 5.500 5.008 4.232 5.865 0.365 22 0 "[ . 1 . 2 . 3]" 1
276 1 41 ARG HA 1 41 ARG HG3 4.030 . 4.030 3.736 3.724 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 25 LYS HA 1 25 LYS HG3 4.190 . 4.190 2.819 2.307 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 9 TRP HH2 1 70 VAL MG2 4.340 . 4.340 3.943 3.857 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 69 GLU HA 1 70 VAL MG2 5.500 . 5.500 3.568 3.399 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 41 ARG HA 1 41 ARG HG2 4.230 . 4.230 3.698 3.667 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 PRO HB2 1 21 ALA MB 4.810 . 4.810 4.196 3.887 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 21 ALA MB 1 22 TYR HA 4.000 . 4.000 3.756 3.741 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 21 ALA MB 1 22 TYR QD 5.360 . 5.360 5.053 5.003 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 11 ILE HB 1 11 ILE MD 3.040 . 3.040 2.302 2.258 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 11 ILE MD 1 11 ILE MG 2.630 . 2.630 2.007 1.952 2.078 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 49 ILE MD 1 49 ILE MG 2.800 . 2.800 1.892 1.788 2.003 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 60 LEU MD2 1 64 ASP HB3 5.320 . 5.320 3.132 2.066 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 60 LEU HA 1 60 LEU MD2 4.560 . 4.560 2.383 2.110 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 24 GLN HA 1 27 LEU MD1 4.540 . 4.540 3.817 2.280 4.853 0.313 1 0 "[ . 1 . 2 . 3]" 1
290 1 58 LEU HG 1 59 VAL HA 4.570 . 4.570 3.762 3.578 4.608 0.038 14 0 "[ . 1 . 2 . 3]" 1
291 1 58 LEU HA 1 58 LEU HG 4.210 . 4.210 2.988 2.301 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 58 LEU HA 1 58 LEU MD1 4.340 . 4.340 2.256 2.113 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 58 LEU HA 1 58 LEU MD2 4.340 . 4.340 3.783 3.419 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 68 LEU HA 1 68 LEU MD1 4.610 . 4.610 2.851 2.124 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 32 LEU HA 1 32 LEU MD1 3.570 . 3.570 2.445 2.117 3.759 0.189 9 0 "[ . 1 . 2 . 3]" 1
296 1 32 LEU HA 1 32 LEU MD2 3.570 . 3.570 3.333 2.240 3.687 0.117 18 0 "[ . 1 . 2 . 3]" 1
297 1 24 GLN HA 1 27 LEU MD2 4.540 . 4.540 3.705 2.992 4.819 0.279 10 0 "[ . 1 . 2 . 3]" 1
298 1 27 LEU HA 1 27 LEU MD2 4.250 . 4.250 3.222 2.122 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 16 ARG HA 1 16 ARG HD2 5.500 . 5.500 4.360 2.290 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 16 ARG HA 1 16 ARG HD3 5.500 . 5.500 4.391 2.244 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 11 ILE HA 1 12 THR H 3.430 . 3.430 2.163 2.152 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 3 TYR H 1 3 TYR QE 5.500 . 5.500 4.051 3.602 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 3 TYR H 1 3 TYR QD 3.850 . 3.850 2.141 1.763 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 3 TYR H 1 4 THR H 4.690 . 4.690 4.430 4.063 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 15 SER H 1 18 ILE MD 3.790 . 3.790 3.194 2.819 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 6 ASP H 1 7 THR MG 4.620 . 4.620 4.377 3.609 4.953 0.333 17 0 "[ . 1 . 2 . 3]" 1
307 1 15 SER H 1 18 ILE HG12 4.660 . 4.660 4.244 3.781 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 15 SER H 1 18 ILE HB 4.610 . 4.610 2.708 2.374 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 14 PHE HB3 1 15 SER H 4.100 . 4.100 3.664 3.370 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 14 PHE HB2 1 15 SER H 3.870 . 3.870 2.799 2.404 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 15 SER H 1 15 SER HB2 3.590 . 3.590 2.638 2.193 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 15 SER H 1 15 SER HB3 3.590 . 3.590 2.783 2.189 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 14 PHE HA 1 15 SER H 3.270 . 3.270 2.296 2.214 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 6 ASP H 1 39 VAL HB 5.390 . 5.390 4.344 4.111 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 14 PHE QD 1 15 SER H 4.700 . 4.700 4.216 3.919 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 15 SER H 1 69 GLU H 4.210 . 4.210 3.749 3.385 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 7 THR H 1 39 VAL MG1 5.500 . 5.500 4.321 3.921 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 7 THR H 1 7 THR MG 3.960 . 3.960 3.057 2.055 3.968 0.008 22 0 "[ . 1 . 2 . 3]" 1
319 1 7 THR H 1 39 VAL MG2 4.360 . 4.360 2.951 2.180 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 7 THR H 1 39 VAL HB 3.750 . 3.750 2.702 2.224 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 5 PRO HA 1 7 THR H 5.440 . 5.440 5.454 5.266 5.711 0.271 9 0 "[ . 1 . 2 . 3]" 1
322 1 6 ASP HA 1 7 THR H 3.470 . 3.470 2.224 2.148 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 6 ASP H 1 7 THR H 4.100 . 4.100 3.805 3.722 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 7 THR H 1 39 VAL H 4.300 . 4.300 2.456 2.240 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 8 ALA H 1 8 ALA MB 3.510 . 3.510 2.307 2.235 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 7 THR MG 1 8 ALA H 4.250 . 4.250 3.315 2.685 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 7 THR HB 1 8 ALA H 3.690 . 3.690 3.855 3.808 3.888 0.198 18 0 "[ . 1 . 2 . 3]" 1
328 1 7 THR HA 1 8 ALA H 3.150 . 3.150 2.201 2.148 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 7 THR H 1 8 ALA H 4.490 . 4.490 4.329 4.235 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 18 ILE MD 1 23 ARG H 4.800 . 4.800 4.048 3.782 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 ARG H 1 23 ARG HB2 3.450 . 3.450 2.377 2.330 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 ARG H 1 23 ARG HB3 3.380 . 3.380 2.670 2.578 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 22 TYR HB3 1 23 ARG H 4.380 . 4.380 2.464 2.340 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 22 TYR HB2 1 23 ARG H 3.940 . 3.940 3.801 3.715 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 9 TRP H 1 72 ALA HA 5.500 . 5.500 5.426 4.808 5.576 0.076 28 0 "[ . 1 . 2 . 3]" 1
336 1 20 PRO HA 1 23 ARG H 3.900 . 3.900 3.727 3.602 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 8 ALA HA 1 9 TRP H 3.250 . 3.250 2.191 2.178 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 9 TRP H 1 38 ASN HA 4.300 . 4.300 3.413 3.153 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 9 TRP H 1 9 TRP HD1 4.090 . 4.090 2.966 2.727 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 9 TRP H 1 37 PHE QD 5.290 . 5.290 4.315 4.182 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 TYR H 1 23 ARG H 3.510 . 3.510 2.694 2.667 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 9 TRP H 1 37 PHE H 3.930 . 3.930 3.286 3.190 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 9 TRP HB3 1 10 LYS H 4.650 . 4.650 3.077 2.878 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 10 LYS H 1 10 LYS HB3 4.100 . 4.100 2.683 2.524 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 10 LYS H 1 10 LYS HB2 4.100 . 4.100 2.626 2.398 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 10 LYS H 1 71 GLU HB2 5.500 . 5.500 4.384 3.648 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 10 LYS H 1 71 GLU HB3 5.500 . 5.500 4.478 3.807 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 10 LYS H 1 70 VAL HB 4.660 . 4.660 3.691 3.473 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 9 TRP HB2 1 10 LYS H 4.650 . 4.650 4.194 4.070 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 9 TRP HA 1 10 LYS H 3.540 . 3.540 2.190 2.139 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 10 LYS H 1 72 ALA HA 4.890 . 4.890 3.470 3.079 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 10 LYS H 1 71 GLU H 3.140 . 3.140 2.546 2.452 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 11 ILE H 1 11 ILE MG 4.000 . 4.000 3.779 3.745 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 16 ARG H 1 16 ARG HG2 4.910 . 4.910 3.413 1.919 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 16 ARG H 1 16 ARG HG3 4.910 . 4.910 2.842 2.313 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 11 ILE H 1 11 ILE HB 3.270 . 3.270 2.622 2.587 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 10 LYS HA 1 11 ILE H 3.390 . 3.390 2.177 2.127 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 11 ILE H 1 36 SER HA 4.220 . 4.220 2.595 2.344 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 11 ILE H 1 71 GLU H 5.500 . 5.500 4.995 4.833 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 11 ILE MG 1 12 THR H 4.040 . 4.040 2.768 2.546 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 12 THR H 1 12 THR MG 4.030 . 4.030 3.449 2.409 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 11 ILE HB 1 12 THR H 4.860 . 4.860 4.195 4.078 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 12 THR H 1 70 VAL HA 4.000 . 4.000 2.927 2.749 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 11 ILE MG 1 13 GLY H 3.530 . 3.530 2.847 2.080 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 12 THR MG 1 13 GLY H 4.340 . 4.340 3.664 3.128 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 13 GLY H 1 69 GLU HB3 4.340 . 4.340 3.974 3.666 4.399 0.059 30 0 "[ . 1 . 2 . 3]" 1
367 1 13 GLY H 1 69 GLU HB2 4.340 . 4.340 2.682 2.226 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 11 ILE HB 1 13 GLY H 5.500 . 5.500 5.153 4.360 5.569 0.069 13 0 "[ . 1 . 2 . 3]" 1
369 1 13 GLY H 1 70 VAL HA 5.070 . 5.070 4.561 4.297 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 13 GLY H 1 69 GLU H 4.890 . 4.890 3.826 3.413 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 12 THR H 1 13 GLY H 3.400 . 3.400 2.131 1.967 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 11 ILE MG 1 14 PHE H 5.500 . 5.500 5.159 4.596 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 14 PHE H 1 26 LEU MD2 5.500 . 5.500 5.578 5.451 5.678 0.178 15 0 "[ . 1 . 2 . 3]" 1
374 1 14 PHE H 1 14 PHE HB3 3.590 . 3.590 3.118 3.031 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 14 PHE H 1 14 PHE HB2 4.100 . 4.100 3.531 3.474 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 13 GLY HA3 1 14 PHE H 3.310 . 3.310 2.617 2.489 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 13 GLY HA2 1 14 PHE H 3.310 . 3.310 2.514 2.380 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 14 PHE H 1 14 PHE QD 4.010 . 4.010 2.413 2.137 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 13 GLY H 1 14 PHE H 4.690 . 4.690 4.362 4.289 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 14 PHE H 1 15 SER H 4.680 . 4.680 4.576 4.528 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 15 SER H 1 17 GLU H 5.500 . 5.500 5.308 5.184 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 11 ILE H 1 11 ILE MD 4.090 . 4.090 3.468 3.366 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 16 ARG H 1 17 GLU HB2 4.720 . 4.720 4.721 4.551 4.847 0.127 6 0 "[ . 1 . 2 . 3]" 1
384 1 17 GLU H 1 18 ILE MG 4.540 . 4.540 4.197 4.144 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 17 GLU H 1 17 GLU HB3 3.450 . 3.450 2.974 2.579 3.561 0.111 21 0 "[ . 1 . 2 . 3]" 1
386 1 17 GLU H 1 17 GLU HB2 3.420 . 3.420 2.389 2.207 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 16 ARG H 1 17 GLU H 4.190 . 4.190 2.563 2.517 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 18 ILE H 1 18 ILE MG 3.420 . 3.420 2.342 2.241 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 29 LEU H 1 29 LEU MD2 4.370 . 4.370 3.513 1.590 4.372 0.002 4 0 "[ . 1 . 2 . 3]" 1
390 1 18 ILE H 1 18 ILE HB 3.250 . 3.250 2.380 2.342 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 17 GLU HB3 1 18 ILE H 4.020 . 4.020 3.555 3.176 4.076 0.056 26 0 "[ . 1 . 2 . 3]" 1
392 1 17 GLU HB2 1 18 ILE H 4.350 . 4.350 3.832 3.154 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 17 GLU H 1 18 ILE H 3.490 . 3.490 2.561 2.456 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 15 SER H 1 18 ILE H 4.840 . 4.840 4.064 3.878 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 18 ILE MD 1 19 SER H 3.950 . 3.950 2.109 1.956 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 18 ILE MG 1 19 SER H 4.010 . 4.010 3.598 3.545 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 19 SER H 1 23 ARG HB2 4.910 . 4.910 4.915 4.742 4.983 0.073 7 0 "[ . 1 . 2 . 3]" 1
398 1 18 ILE HG13 1 19 SER H 3.400 . 3.400 2.278 2.191 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 18 ILE HB 1 19 SER H 4.140 . 4.140 4.075 4.039 4.161 0.021 14 0 "[ . 1 . 2 . 3]" 1
400 1 19 SER H 1 22 TYR HB3 4.330 . 4.330 3.444 3.304 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 19 SER H 1 22 TYR HB2 4.900 . 4.900 4.416 4.203 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 18 ILE HA 1 19 SER H 3.030 . 3.030 2.261 2.230 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 19 SER H 1 22 TYR QD 5.500 . 5.500 4.905 4.776 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 18 ILE H 1 19 SER H 5.300 . 5.300 4.642 4.628 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 19 SER H 1 22 TYR H 4.890 . 4.890 4.382 4.139 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 18 ILE MG 1 22 TYR H 5.500 . 5.500 5.444 5.332 5.541 0.041 4 0 "[ . 1 . 2 . 3]" 1
407 1 21 ALA MB 1 22 TYR H 3.640 . 3.640 2.200 2.124 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 22 TYR H 1 23 ARG HB3 4.940 . 4.940 4.992 4.913 5.034 0.094 7 0 "[ . 1 . 2 . 3]" 1
409 1 22 TYR H 1 22 TYR HB3 3.700 . 3.700 2.520 2.484 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 22 TYR H 1 22 TYR HB2 3.440 . 3.440 2.518 2.485 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 18 ILE MD 1 22 TYR H 5.270 . 5.270 4.420 4.144 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 22 TYR H 1 23 ARG HA 5.200 . 5.200 5.291 5.272 5.323 0.123 29 0 "[ . 1 . 2 . 3]" 1
413 1 22 TYR H 1 22 TYR QD 4.920 . 4.920 4.167 4.159 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 8 ALA MB 1 9 TRP H 4.340 . 4.340 3.485 3.469 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 24 GLN H 1 26 LEU MD2 5.500 . 5.500 5.091 4.980 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 18 ILE MG 1 24 GLN H 5.500 . 5.500 5.399 5.260 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 23 ARG HB2 1 24 GLN H 3.860 . 3.860 3.734 3.643 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 23 ARG HB3 1 24 GLN H 3.490 . 3.490 2.497 2.366 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 24 GLN H 1 24 GLN HG2 5.250 . 5.250 4.234 2.673 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 24 GLN H 1 24 GLN HG3 5.250 . 5.250 4.170 2.448 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 20 PRO HA 1 24 GLN H 4.240 . 4.240 3.695 3.429 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 21 ALA HA 1 24 GLN H 4.710 . 4.710 3.750 3.637 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 24 GLN H 1 25 LYS H 3.040 . 3.040 2.641 2.580 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 24 GLN H 1 26 LEU H 4.750 . 4.750 4.301 4.210 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 23 ARG H 1 24 GLN H 3.690 . 3.690 2.742 2.695 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 25 LYS H 1 26 LEU MD2 4.300 . 4.300 3.897 3.700 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 24 GLN HG2 1 25 LYS H 5.500 . 5.500 4.799 3.906 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 24 GLN HG3 1 25 LYS H 5.500 . 5.500 4.594 3.992 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 22 TYR HB3 1 25 LYS H 5.500 . 5.500 5.307 5.163 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 25 LYS H 1 25 LYS HE2 5.500 . 5.500 5.148 4.554 5.659 0.159 25 0 "[ . 1 . 2 . 3]" 1
431 1 25 LYS H 1 25 LYS HE3 5.500 . 5.500 4.953 4.405 5.921 0.421 22 0 "[ . 1 . 2 . 3]" 1
432 1 23 ARG HA 1 25 LYS H 5.500 . 5.500 4.223 4.056 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 22 TYR HA 1 25 LYS H 3.820 . 3.820 3.313 3.243 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 25 LYS H 1 26 LEU H 3.780 . 3.780 2.736 2.694 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 23 ARG H 1 25 LYS H 4.400 . 4.400 4.026 3.843 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 26 LEU H 1 26 LEU MD2 3.690 . 3.690 2.109 1.920 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 26 LEU H 1 26 LEU HB2 3.200 . 3.200 2.257 2.217 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 25 LYS HB2 1 26 LEU H 4.440 . 4.440 3.046 2.510 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 25 LYS HB3 1 26 LEU H 4.440 . 4.440 3.061 2.364 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 26 LEU H 1 27 LEU H 4.140 . 4.140 2.660 2.574 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 26 LEU MD2 1 27 LEU H 4.220 . 4.220 4.053 3.889 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 27 LEU H 1 27 LEU MD2 5.300 . 5.300 3.758 1.861 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 26 LEU MD1 1 27 LEU H 5.060 . 5.060 4.647 4.597 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 27 LEU H 1 27 LEU MD1 5.300 . 5.300 3.589 2.131 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 26 LEU HB2 1 27 LEU H 3.620 . 3.620 2.807 2.748 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 24 GLN HA 1 27 LEU H 3.880 . 3.880 3.239 3.032 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 27 LEU H 1 29 LEU H 5.500 . 5.500 4.290 3.787 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 24 GLN H 1 27 LEU H 5.070 . 5.070 4.781 4.664 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 27 LEU H 1 28 SER H 3.130 . 3.130 2.548 2.382 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 27 LEU MD2 1 28 SER H 5.500 . 5.500 4.230 3.191 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 26 LEU MD1 1 28 SER H 5.500 . 5.500 5.638 5.428 5.763 0.263 15 0 "[ . 1 . 2 . 3]" 1
452 1 27 LEU MD1 1 28 SER H 5.500 . 5.500 4.659 4.077 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 27 LEU HB2 1 28 SER H 4.360 . 4.360 3.429 2.669 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 27 LEU HB3 1 28 SER H 4.360 . 4.360 3.248 2.482 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 28 SER H 1 28 SER HB2 3.880 . 3.880 2.604 2.224 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 28 SER H 1 28 SER HB3 3.880 . 3.880 3.041 2.335 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 26 LEU H 1 28 SER H 4.210 . 4.210 3.981 3.764 4.253 0.043 24 0 "[ . 1 . 2 . 3]" 1
458 1 29 LEU H 1 29 LEU MD1 4.370 . 4.370 2.566 1.663 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 26 LEU HA 1 29 LEU H 4.160 . 4.160 3.733 3.168 4.277 0.117 12 0 "[ . 1 . 2 . 3]" 1
460 1 27 LEU HA 1 29 LEU H 4.510 . 4.510 4.296 3.659 4.573 0.063 15 0 "[ . 1 . 2 . 3]" 1
461 1 28 SER H 1 29 LEU H 3.600 . 3.600 2.694 2.403 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 29 LEU HB2 1 30 GLY H 4.420 . 4.420 2.936 1.965 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 29 LEU HB3 1 30 GLY H 4.420 . 4.420 3.696 3.305 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 29 LEU H 1 30 GLY H 4.500 . 4.500 4.487 4.372 4.542 0.042 28 0 "[ . 1 . 2 . 3]" 1
465 1 30 GLY H 1 31 MET H 2.940 . 2.940 2.627 2.215 3.125 0.185 21 0 "[ . 1 . 2 . 3]" 1
466 1 29 LEU MD1 1 31 MET H 4.770 . 4.770 2.421 1.652 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 31 MET H 1 32 LEU HB2 5.130 . 5.130 5.282 5.104 5.465 0.335 9 0 "[ . 1 . 2 . 3]" 1
468 1 31 MET H 1 31 MET HB3 3.780 . 3.780 3.277 2.544 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 31 MET H 1 31 MET HB2 3.780 . 3.780 2.531 2.351 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 31 MET H 1 32 LEU H 4.930 . 4.930 3.737 3.386 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 29 LEU H 1 31 MET H 5.210 . 5.210 4.605 3.913 5.257 0.047 9 0 "[ . 1 . 2 . 3]" 1
472 1 32 LEU H 1 32 LEU HB2 3.430 . 3.430 2.134 2.057 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 30 GLY HA2 1 32 LEU H 4.180 . 4.180 4.189 4.139 4.316 0.136 17 0 "[ . 1 . 2 . 3]" 1
474 1 11 ILE MG 1 34 GLY H 4.470 . 4.470 3.557 2.858 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 11 ILE HB 1 34 GLY H 4.060 . 4.060 2.680 2.320 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 11 ILE MD 1 35 SER H 4.270 . 4.270 3.239 3.100 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 11 ILE HB 1 35 SER H 4.330 . 4.330 2.764 2.498 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 33 PRO HA 1 35 SER H 4.460 . 4.460 3.239 3.078 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 35 SER H 1 35 SER HB3 3.990 . 3.990 3.381 2.763 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 35 SER H 1 35 SER HB2 3.990 . 3.990 3.180 2.384 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 34 GLY H 1 35 SER H 3.900 . 3.900 2.042 1.852 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 35 SER HB3 1 36 SER H 3.890 . 3.890 2.564 1.799 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 35 SER HB2 1 36 SER H 3.890 . 3.890 2.704 1.811 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 35 SER HA 1 36 SER H 3.260 . 3.260 2.776 2.623 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 37 PHE H 1 53 THR MG 5.500 . 5.500 5.277 4.587 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 36 SER HB2 1 37 PHE H 4.590 . 4.590 3.311 2.435 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 36 SER HB3 1 37 PHE H 4.590 . 4.590 3.345 2.571 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 10 LYS HA 1 37 PHE H 4.420 . 4.420 3.746 3.545 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 36 SER HA 1 37 PHE H 3.390 . 3.390 2.327 2.258 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 37 PHE H 1 38 ASN HA 5.130 . 5.130 4.812 4.747 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 37 PHE H 1 37 PHE QD 4.130 . 4.130 2.624 2.386 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 38 ASN H 1 53 THR MG 4.950 . 4.950 3.724 2.594 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 38 ASN H 1 51 ILE HB 5.000 . 5.000 4.886 4.222 5.086 0.086 26 0 "[ . 1 . 2 . 3]" 1
494 1 37 PHE HB2 1 38 ASN H 3.600 . 3.600 2.611 2.391 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 37 PHE HA 1 38 ASN H 3.480 . 3.480 2.331 2.246 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 37 PHE QD 1 38 ASN H 4.490 . 4.490 3.176 2.723 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 38 ASN H 1 39 VAL H 4.770 . 4.770 4.494 4.427 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 38 ASN H 1 52 GLU H 5.350 . 5.350 4.312 4.102 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 39 VAL H 1 39 VAL MG1 4.660 . 4.660 3.774 3.755 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 39 VAL H 1 51 ILE MG 5.060 . 5.060 4.577 4.112 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 39 VAL H 1 39 VAL MG2 3.730 . 3.730 2.185 1.969 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 39 VAL H 1 39 VAL HB 3.470 . 3.470 2.544 2.455 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 8 ALA HA 1 39 VAL H 4.680 . 4.680 4.500 4.160 4.699 0.019 22 0 "[ . 1 . 2 . 3]" 1
504 1 38 ASN HA 1 39 VAL H 3.420 . 3.420 2.231 2.197 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 37 PHE QD 1 39 VAL H 5.500 . 5.500 4.294 4.079 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 39 VAL MG1 1 40 VAL H 3.720 . 3.720 2.696 2.573 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 40 VAL H 1 40 VAL MG1 3.640 . 3.640 1.885 1.772 1.968 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 39 VAL MG2 1 40 VAL H 4.520 . 4.520 4.107 3.994 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 40 VAL H 1 40 VAL HB 4.020 . 4.020 2.781 2.731 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 39 VAL HB 1 40 VAL H 5.500 . 5.500 4.164 4.079 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 39 VAL HA 1 40 VAL H 3.350 . 3.350 2.158 2.138 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 40 VAL H 1 51 ILE HA 4.050 . 4.050 2.114 2.001 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 39 VAL MG1 1 41 ARG H 3.800 . 3.800 2.167 2.011 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 40 VAL MG1 1 41 ARG H 3.550 . 3.550 1.793 1.765 1.834 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 39 VAL MG2 1 41 ARG H 4.740 . 4.740 4.782 4.641 4.869 0.129 16 0 "[ . 1 . 2 . 3]" 1
516 1 41 ARG H 1 41 ARG HG3 4.270 . 4.270 3.534 3.419 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 40 VAL HB 1 41 ARG H 4.350 . 4.350 4.033 4.009 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 41 ARG H 1 50 HIS HB2 4.280 . 4.280 3.653 3.399 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 41 ARG H 1 51 ILE HA 4.730 . 4.730 3.990 3.904 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 40 VAL H 1 41 ARG H 3.290 . 3.290 2.591 2.492 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 42 VAL H 1 42 VAL MG1 4.450 . 4.450 3.406 2.584 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 42 VAL H 1 42 VAL MG2 4.450 . 4.450 2.512 1.903 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 41 ARG HG3 1 42 VAL H 4.390 . 4.390 3.596 3.339 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 41 ARG HB2 1 42 VAL H 3.670 . 3.670 2.566 2.317 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 5 PRO HB3 1 42 VAL H 4.690 . 4.690 3.198 2.794 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 5 PRO HB2 1 42 VAL H 4.690 . 4.690 4.630 4.265 5.045 0.355 12 0 "[ . 1 . 2 . 3]" 1
527 1 5 PRO HD3 1 42 VAL H 5.500 . 5.500 4.783 4.356 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 41 ARG HA 1 42 VAL H 3.110 . 3.110 2.377 2.272 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 41 ARG H 1 42 VAL H 4.870 . 4.870 4.313 4.238 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 42 VAL H 1 43 ALA H 5.250 . 5.250 4.202 3.809 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 42 VAL MG1 1 43 ALA H 4.220 . 4.220 3.382 2.547 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 42 VAL MG2 1 43 ALA H 4.220 . 4.220 4.034 3.862 4.274 0.054 30 0 "[ . 1 . 2 . 3]" 1
533 1 43 ALA H 1 43 ALA MB 3.350 . 3.350 2.240 2.195 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 42 VAL HB 1 43 ALA H 4.480 . 4.480 3.945 3.290 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 43 ALA H 1 44 PRO HD2 5.500 . 5.500 5.011 4.952 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 43 ALA H 1 44 PRO HD3 5.500 . 5.500 4.428 4.291 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 42 VAL HA 1 43 ALA H 3.270 . 3.270 2.164 2.133 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 43 ALA H 1 47 ASP H 5.470 . 5.470 4.944 4.530 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 45 LEU H 1 45 LEU MD1 5.050 . 5.050 3.221 1.752 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 45 LEU H 1 45 LEU MD2 5.050 . 5.050 3.213 1.733 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 43 ALA MB 1 45 LEU H 4.900 . 4.900 2.896 2.668 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 45 LEU H 1 45 LEU HB2 3.930 . 3.930 2.462 2.162 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 45 LEU H 1 45 LEU HB3 3.930 . 3.930 3.385 2.508 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 43 ALA MB 1 46 GLY H 4.680 . 4.680 3.443 3.162 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 45 LEU HB2 1 46 GLY H 4.370 . 4.370 3.248 2.813 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 45 LEU HB3 1 46 GLY H 4.370 . 4.370 3.713 2.814 4.425 0.055 23 0 "[ . 1 . 2 . 3]" 1
547 1 46 GLY H 1 47 ASP H 3.420 . 3.420 1.866 1.607 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 45 LEU H 1 46 GLY H 2.820 . 2.820 2.742 2.654 2.918 0.098 18 0 "[ . 1 . 2 . 3]" 1
549 1 43 ALA MB 1 47 ASP H 3.800 . 3.800 2.891 2.537 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 47 ASP H 1 48 PRO HD2 5.500 . 5.500 4.800 4.678 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 47 ASP H 1 48 PRO HD3 5.500 . 5.500 5.097 4.778 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 47 ASP H 1 48 PRO HA 5.500 . 5.500 5.544 5.423 5.591 0.091 14 0 "[ . 1 . 2 . 3]" 1
553 1 49 ILE H 1 65 LEU MD1 5.500 . 5.500 4.877 4.275 5.779 0.279 23 0 "[ . 1 . 2 . 3]" 1
554 1 49 ILE H 1 65 LEU MD2 5.500 . 5.500 4.656 3.650 5.420 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 49 ILE H 1 49 ILE MG 4.050 . 4.050 3.807 3.759 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 49 ILE H 1 49 ILE HG13 4.380 . 4.380 3.587 3.474 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 49 ILE H 1 49 ILE HB 3.480 . 3.480 2.704 2.655 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 49 ILE H 1 49 ILE HG12 3.720 . 3.720 2.022 1.884 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 48 PRO HB2 1 49 ILE H 3.270 . 3.270 2.590 2.215 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 49 ILE H 1 60 LEU HA 5.000 . 5.000 4.610 4.431 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 49 ILE MG 1 50 HIS H 3.670 . 3.670 3.036 2.817 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 40 VAL MG1 1 50 HIS H 4.630 . 4.630 4.048 3.831 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 49 ILE MD 1 50 HIS H 4.880 . 4.880 3.961 3.864 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 41 ARG HG3 1 50 HIS H 4.380 . 4.380 4.293 4.030 4.454 0.074 12 0 "[ . 1 . 2 . 3]" 1
565 1 49 ILE HB 1 50 HIS H 4.500 . 4.500 4.190 4.105 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 48 PRO HB2 1 50 HIS H 5.130 . 5.130 5.020 4.731 5.172 0.042 4 0 "[ . 1 . 2 . 3]" 1
567 1 50 HIS H 1 50 HIS HB2 3.530 . 3.530 2.399 2.350 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 49 ILE HA 1 50 HIS H 3.280 . 3.280 2.143 2.126 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 50 HIS H 1 50 HIS HD2 5.300 . 5.300 2.703 2.399 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 41 ARG H 1 50 HIS H 4.950 . 4.950 4.564 4.420 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 49 ILE H 1 50 HIS H 4.320 . 4.320 4.338 4.195 4.400 0.080 7 0 "[ . 1 . 2 . 3]" 1
572 1 50 HIS H 1 51 ILE H 4.590 . 4.590 4.426 4.366 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 51 ILE H 1 51 ILE MG 3.700 . 3.700 2.848 2.743 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 50 HIS HB3 1 51 ILE H 4.450 . 4.450 3.429 3.258 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 51 ILE H 1 59 VAL HA 3.970 . 3.970 2.766 2.439 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 50 HIS HA 1 51 ILE H 3.260 . 3.260 2.138 2.123 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 51 ILE H 1 58 LEU H 4.370 . 4.370 3.689 3.040 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 51 ILE MD 1 52 GLU H 5.100 . 5.100 4.500 4.306 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 51 ILE MG 1 52 GLU H 4.090 . 4.090 3.812 3.736 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 52 GLU H 1 53 THR MG 4.510 . 4.510 3.853 3.523 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 51 ILE HB 1 52 GLU H 3.510 . 3.510 2.822 2.753 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 52 GLU H 1 52 GLU HG2 5.500 . 5.500 4.049 2.087 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 52 GLU H 1 52 GLU HG3 5.500 . 5.500 3.681 1.959 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 37 PHE HB2 1 52 GLU H 5.500 . 5.500 4.664 4.484 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 39 VAL HA 1 52 GLU H 5.500 . 5.500 2.971 2.700 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 37 PHE QD 1 52 GLU H 5.080 . 5.080 3.907 3.559 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 52 GLU H 1 53 THR H 4.400 . 4.400 4.283 4.046 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 53 THR H 1 56 VAL MG1 5.500 . 5.500 4.771 4.013 5.832 0.332 13 0 "[ . 1 . 2 . 3]" 1
589 1 53 THR H 1 56 VAL MG2 5.500 . 5.500 4.705 4.006 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 53 THR H 1 53 THR MG 3.860 . 3.860 2.284 1.912 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 52 GLU HB2 1 53 THR H 4.860 . 4.860 4.147 3.076 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 52 GLU HB3 1 53 THR H 4.860 . 4.860 3.658 2.912 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 52 GLU HA 1 53 THR H 3.280 . 3.280 2.145 2.113 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 55 ARG H 1 55 ARG HG2 5.400 . 5.400 3.353 1.808 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 55 ARG H 1 55 ARG HG3 5.400 . 5.400 3.378 2.212 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 55 ARG H 1 56 VAL HA 5.500 . 5.500 4.952 4.580 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 53 THR HB 1 55 ARG H 4.590 . 4.590 3.426 3.037 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 53 THR MG 1 56 VAL H 5.100 . 5.100 3.563 3.363 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 55 ARG HB2 1 56 VAL H 4.980 . 4.980 3.146 2.312 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 55 ARG HB3 1 56 VAL H 4.980 . 4.980 3.464 2.361 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 56 VAL H 1 56 VAL HB 4.070 . 4.070 3.514 3.018 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 55 ARG H 1 56 VAL H 3.950 . 3.950 2.534 2.163 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 53 THR H 1 56 VAL H 4.490 . 4.490 3.451 2.866 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 56 VAL HA 1 57 SER H 3.210 . 3.210 2.490 2.165 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 21 ALA HA 1 23 ARG H 5.220 . 5.220 4.717 4.564 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 58 LEU H 1 58 LEU HG 4.780 . 4.780 4.513 4.434 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 51 ILE HB 1 58 LEU H 5.500 . 5.500 4.975 4.718 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 57 SER HA 1 58 LEU H 3.160 . 3.160 2.252 2.148 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 58 LEU HG 1 59 VAL H 3.700 . 3.700 2.319 1.783 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 59 VAL H 1 59 VAL HB 3.400 . 3.400 3.164 2.522 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 58 LEU H 1 59 VAL H 4.550 . 4.550 4.329 4.275 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 49 ILE MG 1 60 LEU H 5.250 . 5.250 4.320 4.110 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 48 PRO HB2 1 60 LEU H 4.360 . 4.360 4.089 3.719 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 71 GLU HG2 1 72 ALA H 5.470 . 5.470 3.924 2.349 5.218 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 71 GLU HG3 1 72 ALA H 5.470 . 5.470 4.080 2.236 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 59 VAL HA 1 60 LEU H 3.350 . 3.350 2.151 2.138 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 50 HIS HA 1 60 LEU H 4.200 . 4.200 3.655 3.327 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 72 ALA H 1 73 VAL H 4.870 . 4.870 4.573 4.377 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 59 VAL H 1 60 LEU H 5.000 . 5.000 4.297 4.180 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 71 GLU H 1 72 ALA H 4.470 . 4.470 4.291 4.159 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 60 LEU MD1 1 61 ARG H 5.500 . 5.500 4.440 3.581 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 60 LEU MD2 1 61 ARG H 5.500 . 5.500 3.386 2.794 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 61 ARG H 1 61 ARG HB2 3.290 . 3.290 2.358 2.300 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 61 ARG H 1 61 ARG HB3 4.160 . 4.160 3.534 2.648 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 61 ARG H 1 64 ASP HA 5.240 . 5.240 5.246 4.929 5.409 0.169 16 0 "[ . 1 . 2 . 3]" 1
626 1 60 LEU HA 1 61 ARG H 3.320 . 3.320 2.371 2.196 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 49 ILE MD 1 62 LYS H 5.500 . 5.500 3.362 3.142 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 62 LYS H 1 62 LYS HG2 4.720 . 4.720 3.171 1.730 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 62 LYS H 1 62 LYS HG3 4.720 . 4.720 3.768 2.306 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 62 LYS H 1 62 LYS HB2 4.000 . 4.000 3.053 2.242 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 62 LYS H 1 62 LYS HB3 4.000 . 4.000 2.581 2.410 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 61 ARG HB3 1 62 LYS H 4.280 . 4.280 2.598 2.187 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 48 PRO HA 1 62 LYS H 4.700 . 4.700 3.577 2.795 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 49 ILE H 1 62 LYS H 5.500 . 5.500 4.055 3.533 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 61 ARG H 1 62 LYS H 5.500 . 5.500 4.592 4.537 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 62 LYS HG2 1 63 LYS H 4.760 . 4.760 3.056 2.020 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 63 LYS H 1 63 LYS HG2 5.480 . 5.480 3.352 1.775 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 63 LYS H 1 63 LYS HG3 5.480 . 5.480 2.567 2.152 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 62 LYS HG3 1 63 LYS H 4.760 . 4.760 3.373 1.849 4.856 0.096 17 0 "[ . 1 . 2 . 3]" 1
640 1 61 ARG HB3 1 63 LYS H 4.110 . 4.110 2.782 2.534 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 63 LYS H 1 64 ASP H 3.960 . 3.960 2.698 2.640 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 62 LYS H 1 63 LYS H 4.000 . 4.000 2.781 2.659 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 61 ARG HB2 1 64 ASP H 4.250 . 4.250 2.965 2.633 4.300 0.050 30 0 "[ . 1 . 2 . 3]" 1
644 1 61 ARG HB3 1 64 ASP H 4.630 . 4.630 3.536 2.564 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 64 ASP H 1 64 ASP HB3 3.890 . 3.890 3.408 2.473 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 64 ASP H 1 64 ASP HB2 3.890 . 3.890 2.358 2.207 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 62 LYS HA 1 64 ASP H 4.620 . 4.620 4.320 4.084 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 64 ASP H 1 65 LEU H 3.560 . 3.560 2.728 2.621 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 64 ASP H 1 66 ALA H 4.900 . 4.900 4.149 4.086 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 61 ARG H 1 64 ASP H 4.800 . 4.800 3.721 3.523 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 65 LEU H 1 65 LEU HG 4.340 . 4.340 3.881 3.712 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 65 LEU H 1 65 LEU HB2 3.470 . 3.470 2.242 2.112 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 64 ASP HB3 1 65 LEU H 4.450 . 4.450 3.299 2.395 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 64 ASP HB2 1 65 LEU H 4.450 . 4.450 2.793 2.529 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 65 LEU MD1 1 66 ALA H 5.500 . 5.500 4.273 3.997 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 65 LEU MD2 1 66 ALA H 5.500 . 5.500 4.445 3.742 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 66 ALA H 1 66 ALA MB 3.100 . 3.100 2.221 2.198 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 66 ALA H 1 67 LEU HB2 5.030 . 5.030 4.792 4.682 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 63 LYS HA 1 66 ALA H 4.300 . 4.300 3.415 3.318 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 64 ASP HA 1 66 ALA H 5.020 . 5.020 4.445 4.374 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 66 ALA H 1 67 LEU H 3.780 . 3.780 2.761 2.641 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 65 LEU H 1 66 ALA H 3.520 . 3.520 2.672 2.638 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 66 ALA MB 1 67 LEU H 4.000 . 4.000 2.376 2.226 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 67 LEU H 1 67 LEU HB2 3.530 . 3.530 2.313 2.205 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 67 LEU H 1 67 LEU HB3 3.820 . 3.820 3.557 3.516 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 65 LEU HA 1 67 LEU H 4.590 . 4.590 4.536 4.300 4.662 0.072 9 0 "[ . 1 . 2 . 3]" 1
667 1 68 LEU H 1 68 LEU HB3 3.530 . 3.530 3.032 2.555 3.588 0.058 18 0 "[ . 1 . 2 . 3]" 1
668 1 67 LEU HB2 1 68 LEU H 3.570 . 3.570 2.676 2.289 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 67 LEU HB3 1 68 LEU H 4.080 . 4.080 3.451 3.083 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 65 LEU HA 1 68 LEU H 4.400 . 4.400 3.459 3.368 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 67 LEU H 1 68 LEU H 3.330 . 3.330 2.616 2.575 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 66 ALA H 1 68 LEU H 4.350 . 4.350 4.124 3.997 4.403 0.053 10 0 "[ . 1 . 2 . 3]" 1
673 1 68 LEU H 1 69 GLU H 5.130 . 5.130 4.588 4.532 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 2 GLN HA 1 3 TYR H 3.470 . 3.470 3.503 3.323 3.557 0.087 9 0 "[ . 1 . 2 . 3]" 1
675 1 68 LEU HA 1 69 GLU H 3.180 . 3.180 2.180 2.149 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 14 PHE HA 1 69 GLU H 3.870 . 3.870 3.002 2.726 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 14 PHE QD 1 69 GLU H 5.500 . 5.500 5.772 5.650 5.907 0.407 17 0 "[ . 1 . 2 . 3]" 1
678 1 70 VAL H 1 70 VAL MG2 3.310 . 3.310 2.043 1.886 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 70 VAL H 1 70 VAL MG1 3.810 . 3.810 2.997 2.877 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 69 GLU HB3 1 70 VAL H 4.670 . 4.670 3.671 3.563 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 69 GLU HB2 1 70 VAL H 4.670 . 4.670 4.390 4.285 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 69 GLU HA 1 70 VAL H 2.950 . 2.950 2.152 2.137 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 70 VAL MG2 1 71 GLU H 4.040 . 4.040 3.646 3.517 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 70 VAL MG1 1 71 GLU H 3.670 . 3.670 3.635 3.486 3.698 0.028 7 0 "[ . 1 . 2 . 3]" 1
685 1 70 VAL HB 1 71 GLU H 3.430 . 3.430 2.557 2.454 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 70 VAL HA 1 71 GLU H 3.370 . 3.370 2.335 2.269 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 37 PHE QE 1 71 GLU H 5.280 . 5.280 5.322 5.040 5.379 0.099 8 0 "[ . 1 . 2 . 3]" 1
688 1 72 ALA H 1 72 ALA MB 3.290 . 3.290 2.236 2.207 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 72 ALA MB 1 73 VAL H 3.510 . 3.510 2.967 2.676 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 73 VAL H 1 73 VAL HB 3.810 . 3.810 2.832 2.439 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 72 ALA HA 1 73 VAL H 3.560 . 3.560 2.200 2.144 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 73 VAL HB 1 74 SER H 5.500 . 5.500 3.605 1.790 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 56 VAL HB 1 57 SER H 4.140 . 4.140 3.209 1.910 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 76 LEU HB2 1 77 GLU H 5.140 . 5.140 3.892 2.613 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 76 LEU HB3 1 77 GLU H 5.140 . 5.140 3.669 1.805 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 4 THR H 1 4 THR MG 3.630 . 3.630 2.228 1.742 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 3 TYR HB2 1 4 THR H 5.160 . 5.160 4.166 3.535 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 3 TYR HB3 1 4 THR H 5.160 . 5.160 3.405 2.984 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 4 THR H 1 5 PRO HD2 5.500 . 5.500 4.907 4.783 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 4 THR H 1 5 PRO HD3 5.500 . 5.500 4.936 4.774 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 3 TYR HA 1 4 THR H 3.040 . 3.040 2.218 2.177 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 76 LEU H 1 77 GLU H 3.540 . 3.540 2.858 2.041 3.640 0.100 26 0 "[ . 1 . 2 . 3]" 1
703 1 15 SER HA 1 16 ARG H 3.440 . 3.440 2.460 2.369 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 16 ARG HB2 1 17 GLU H 4.600 . 4.600 2.936 2.606 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 16 ARG HB3 1 17 GLU H 4.600 . 4.600 3.532 2.574 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 46 GLY H 1 47 ASP HA 4.970 . 4.970 4.605 4.403 4.984 0.014 18 0 "[ . 1 . 2 . 3]" 1
707 1 49 ILE H 1 49 ILE MD 4.280 . 4.280 2.877 2.681 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 40 VAL MG1 1 51 ILE H 3.910 . 3.910 3.348 3.228 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 40 VAL MG1 1 52 GLU H 3.960 . 3.960 3.049 2.794 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 52 GLU HA 1 58 LEU H 4.660 . 4.660 3.163 2.844 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 59 VAL HB 1 60 LEU H 4.380 . 4.380 4.200 4.058 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 71 GLU HA 1 72 ALA H 3.200 . 3.200 2.182 2.131 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 66 ALA MB 1 68 LEU H 4.840 . 4.840 4.473 4.360 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 68 LEU H 1 68 LEU HB2 3.530 . 3.530 2.391 2.287 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 3 TYR H 1 4 THR MG 4.120 . 4.120 4.097 3.537 4.286 0.166 3 0 "[ . 1 . 2 . 3]" 1
716 1 7 THR HA 1 9 TRP HE1 5.500 . 5.500 4.820 4.511 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 7 THR HB 1 9 TRP HE1 3.810 . 3.810 3.119 2.322 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 7 THR MG 1 9 TRP HE1 3.500 . 3.500 1.970 1.710 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 28 SER HB2 1 29 LEU H 4.580 . 4.580 3.297 2.484 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 28 SER HB3 1 29 LEU H 4.580 . 4.580 3.235 2.460 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 29 LEU MD2 1 31 MET H 4.770 . 4.770 3.341 1.865 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 58 LEU HB2 1 59 VAL H 4.780 . 4.780 3.993 3.891 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 58 LEU HB3 1 59 VAL H 4.780 . 4.780 3.861 3.497 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 51 ILE H 1 51 ILE MD 5.380 . 5.380 3.878 3.810 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 3 TYR QD 1 9 TRP HH2 4.140 . 4.140 3.584 2.344 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 3 TYR HA 1 3 TYR QD 3.780 . 3.780 2.878 2.360 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 3 TYR QD 1 42 VAL MG2 5.500 . 5.500 4.488 3.653 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 3 TYR QD 1 49 ILE MG 3.350 . 3.350 2.721 2.242 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 3 TYR QD 1 65 LEU MD1 4.880 . 4.880 4.573 3.609 4.972 0.092 21 0 "[ . 1 . 2 . 3]" 1
730 1 3 TYR QD 1 65 LEU MD2 4.880 . 4.880 3.182 2.187 5.081 0.201 1 0 "[ . 1 . 2 . 3]" 1
731 1 3 TYR QE 1 9 TRP HZ3 5.040 . 5.040 3.779 2.559 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 3 TYR QE 1 9 TRP HH2 4.940 . 4.940 3.188 2.292 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 3 TYR QE 1 65 LEU HB2 4.370 . 4.370 2.481 2.294 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 3 TYR QE 1 65 LEU HB3 4.870 . 4.870 2.547 2.303 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 3 TYR QE 1 65 LEU HG 3.910 . 3.910 3.523 2.288 4.183 0.273 12 0 "[ . 1 . 2 . 3]" 1
736 1 3 TYR QE 1 49 ILE MD 4.150 . 4.150 3.756 2.277 4.225 0.075 26 0 "[ . 1 . 2 . 3]" 1
737 1 3 TYR QE 1 49 ILE MG 3.420 . 3.420 3.554 2.706 3.844 0.424 13 0 "[ . 1 . 2 . 3]" 1
738 1 3 TYR HA 1 3 TYR QE 5.500 . 5.500 4.619 4.421 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 22 TYR HA 1 22 TYR QD 3.980 . 3.980 2.996 2.880 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 18 ILE HA 1 22 TYR QD 5.500 . 5.500 5.441 5.363 5.509 0.009 25 0 "[ . 1 . 2 . 3]" 1
741 1 22 TYR QD 1 23 ARG HB2 3.850 . 3.850 3.852 3.688 3.923 0.073 25 0 "[ . 1 . 2 . 3]" 1
742 1 22 TYR QD 1 23 ARG HB3 5.390 . 5.390 4.949 4.775 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 22 TYR QD 1 58 LEU MD1 4.120 . 4.120 4.217 4.155 4.321 0.201 17 0 "[ . 1 . 2 . 3]" 1
744 1 22 TYR QD 1 58 LEU MD2 4.120 . 4.120 3.508 3.100 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 18 ILE MD 1 22 TYR QD 2.970 . 2.970 2.557 2.332 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 22 TYR HA 1 22 TYR QE 5.280 . 5.280 4.628 4.605 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 14 PHE HB3 1 22 TYR QE 3.760 . 3.760 2.317 2.277 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 18 ILE HG12 1 22 TYR QD 3.970 . 3.970 2.315 2.290 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 22 TYR QE 1 60 LEU HB2 5.500 . 5.500 5.453 4.617 5.654 0.154 6 0 "[ . 1 . 2 . 3]" 1
750 1 22 TYR QE 1 60 LEU HB3 5.500 . 5.500 5.340 4.868 5.648 0.148 16 0 "[ . 1 . 2 . 3]" 1
751 1 9 TRP HH2 1 65 LEU HB3 3.760 . 3.760 3.464 2.946 3.806 0.046 23 0 "[ . 1 . 2 . 3]" 1
752 1 22 TYR QE 1 58 LEU MD1 4.130 . 4.130 4.088 3.902 4.229 0.099 2 0 "[ . 1 . 2 . 3]" 1
753 1 22 TYR QE 1 58 LEU MD2 4.130 . 4.130 2.384 2.163 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 22 TYR QE 1 60 LEU MD2 4.060 . 4.060 2.824 2.207 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 18 ILE MD 1 22 TYR QE 3.490 . 3.490 3.497 3.422 3.581 0.091 26 0 "[ . 1 . 2 . 3]" 1
756 1 22 TYR QE 1 26 LEU MD2 3.680 . 3.680 2.348 2.262 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 22 TYR QD 1 60 LEU MD2 3.820 . 3.820 2.602 2.224 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 22 TYR QE 1 60 LEU MD1 4.060 . 4.060 2.255 2.106 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 14 PHE QD 1 23 ARG HA 4.510 . 4.510 4.038 2.964 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 14 PHE QD 1 18 ILE HB 4.350 . 4.350 3.887 3.494 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 14 PHE QD 1 26 LEU HB3 4.280 . 4.280 4.034 3.458 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 14 PHE QE 1 26 LEU HB3 3.650 . 3.650 2.791 2.536 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 14 PHE QD 1 18 ILE HG12 4.180 . 4.180 3.813 3.718 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 14 PHE QE 1 18 ILE HG12 5.500 . 5.500 5.530 5.393 5.691 0.191 30 0 "[ . 1 . 2 . 3]" 1
765 1 14 PHE QD 1 26 LEU HB2 3.990 . 3.990 3.841 2.858 4.069 0.079 7 0 "[ . 1 . 2 . 3]" 1
766 1 14 PHE QE 1 26 LEU HB2 4.380 . 4.380 3.391 2.763 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 14 PHE QD 1 26 LEU MD1 3.950 . 3.950 3.644 3.426 3.997 0.047 30 0 "[ . 1 . 2 . 3]" 1
768 1 14 PHE QD 1 26 LEU HG 2.830 . 2.830 2.343 2.286 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 14 PHE QD 1 26 LEU MD2 3.630 . 3.630 3.539 3.254 3.656 0.026 17 0 "[ . 1 . 2 . 3]" 1
770 1 14 PHE QE 1 26 LEU HG 3.840 . 3.840 2.890 2.711 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 14 PHE QE 1 26 LEU MD2 4.250 . 4.250 4.292 4.234 4.391 0.141 5 0 "[ . 1 . 2 . 3]" 1
772 1 14 PHE QD 1 22 TYR QE 4.740 . 4.740 2.911 2.623 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 37 PHE QD 1 51 ILE HB 3.620 . 3.620 2.513 2.318 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 37 PHE QE 1 39 VAL MG2 4.120 . 4.120 2.427 2.179 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 37 PHE QD 1 53 THR MG 3.370 . 3.370 3.427 3.232 3.612 0.242 17 0 "[ . 1 . 2 . 3]" 1
776 1 11 ILE MD 1 37 PHE QD 2.900 . 2.900 2.422 2.285 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 37 PHE QD 1 51 ILE MG 3.350 . 3.350 3.249 2.465 3.447 0.097 4 0 "[ . 1 . 2 . 3]" 1
778 1 37 PHE QE 1 70 VAL MG1 3.580 . 3.580 2.496 2.375 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 37 PHE QD 1 51 ILE MD 3.980 . 3.980 3.123 2.797 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 9 TRP HZ3 1 65 LEU MD2 4.240 . 4.240 3.217 2.267 4.646 0.406 23 0 "[ . 1 . 2 . 3]" 1
781 1 9 TRP HD1 1 37 PHE QE 5.500 . 5.500 5.466 5.181 5.571 0.071 12 0 "[ . 1 . 2 . 3]" 1
782 1 9 TRP HD1 1 38 ASN HA 5.500 . 5.500 5.421 4.759 5.618 0.118 17 0 "[ . 1 . 2 . 3]" 1
783 1 7 THR MG 1 9 TRP HD1 4.190 . 4.190 2.779 2.444 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 8 ALA MB 1 9 TRP HD1 4.870 . 4.870 4.164 4.110 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 9 TRP HD1 1 72 ALA MB 4.730 . 4.730 4.231 3.372 4.765 0.035 15 0 "[ . 1 . 2 . 3]" 1
786 1 3 TYR QD 1 9 TRP HZ2 5.500 . 5.500 4.350 3.202 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 3 TYR HA 1 9 TRP HZ2 4.520 . 4.520 3.256 2.532 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 7 THR HB 1 9 TRP HZ2 5.230 . 5.230 5.066 4.521 5.423 0.193 3 0 "[ . 1 . 2 . 3]" 1
789 1 7 THR MG 1 9 TRP HZ2 3.470 . 3.470 3.515 3.269 3.669 0.199 6 0 "[ . 1 . 2 . 3]" 1
790 1 9 TRP HZ2 1 70 VAL MG2 4.900 . 4.900 4.897 4.769 5.041 0.141 18 0 "[ . 1 . 2 . 3]" 1
791 1 18 ILE HB 1 22 TYR QD 4.630 . 4.630 4.686 4.618 4.726 0.096 25 0 "[ . 1 . 2 . 3]" 1
792 1 37 PHE QE 1 70 VAL HB 5.300 . 5.300 3.918 3.682 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 9 TRP HZ3 1 65 LEU HB3 3.920 . 3.920 2.428 2.279 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 9 TRP HZ3 1 65 LEU HG 3.840 . 3.840 3.047 2.464 3.888 0.048 1 0 "[ . 1 . 2 . 3]" 1
795 1 9 TRP HZ3 1 70 VAL MG1 3.350 . 3.350 3.437 3.374 3.515 0.165 23 0 "[ . 1 . 2 . 3]" 1
796 1 11 ILE MD 1 37 PHE QE 4.460 . 4.460 3.994 3.764 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 37 PHE QE 1 51 ILE MG 3.180 . 3.180 2.221 2.074 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 9 TRP HZ3 1 65 LEU MD1 4.240 . 4.240 3.653 2.080 4.442 0.202 12 0 "[ . 1 . 2 . 3]" 1
799 1 37 PHE QE 1 51 ILE HB 4.020 . 4.020 3.199 2.742 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 49 ILE HA 1 50 HIS HD2 5.500 . 5.500 3.478 3.168 5.579 0.079 21 0 "[ . 1 . 2 . 3]" 1
801 1 50 HIS HD2 1 59 VAL HA 5.500 . 5.500 4.229 2.913 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 48 PRO HB2 1 50 HIS HD2 5.500 . 5.500 3.049 2.599 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 18 ILE HG12 1 22 TYR QE 4.280 . 4.280 3.879 3.763 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 50 HIS HD2 1 59 VAL HB 4.480 . 4.480 4.122 2.196 4.706 0.226 28 0 "[ . 1 . 2 . 3]" 1
805 1 3 TYR QD 1 65 LEU HB2 5.400 . 5.400 4.611 4.353 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 3 TYR QD 1 65 LEU HB3 5.380 . 5.380 4.528 4.141 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 3 TYR QD 1 65 LEU HG 5.000 . 5.000 4.672 3.619 5.221 0.221 21 0 "[ . 1 . 2 . 3]" 1
808 1 3 TYR QD 1 49 ILE MD 3.370 . 3.370 3.249 2.174 3.538 0.168 22 0 "[ . 1 . 2 . 3]" 1
809 1 3 TYR QD 1 49 ILE HG13 5.210 . 5.210 3.735 3.203 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 50 HIS HD2 1 59 VAL MG2 4.720 . 4.720 2.284 2.176 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 50 HIS HD2 1 59 VAL MG1 4.720 . 4.720 4.484 2.163 4.855 0.135 3 0 "[ . 1 . 2 . 3]" 1
812 1 50 HIS HE1 1 59 VAL HB 5.500 . 5.500 4.859 3.966 5.783 0.283 21 0 "[ . 1 . 2 . 3]" 1
813 1 22 TYR QD 1 60 LEU MD1 3.820 . 3.820 3.200 2.244 3.845 0.025 15 0 "[ . 1 . 2 . 3]" 1
814 1 2 GLN QB 1 3 TYR H 4.200 . 4.200 2.616 1.732 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 2 GLN QB 1 3 TYR QD 4.210 . 4.210 3.207 2.298 4.343 0.133 28 0 "[ . 1 . 2 . 3]" 1
816 1 2 GLN QB 1 3 TYR QE 4.780 . 4.780 3.626 2.692 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 2 GLN QB 1 4 THR MG 5.340 . 5.340 4.767 4.029 5.412 0.072 14 0 "[ . 1 . 2 . 3]" 1
818 1 2 GLN QG 1 3 TYR H 3.980 . 3.980 3.136 1.766 4.156 0.176 3 0 "[ . 1 . 2 . 3]" 1
819 1 2 GLN QG 1 3 TYR QE 5.150 . 5.150 3.435 2.228 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 2 GLN QG 1 4 THR MG 5.340 . 5.340 4.754 3.910 5.437 0.097 20 0 "[ . 1 . 2 . 3]" 1
821 1 2 GLN QG 1 65 LEU QD 5.280 . 5.280 5.290 4.523 5.603 0.323 28 0 "[ . 1 . 2 . 3]" 1
822 1 2 GLN QE 1 3 TYR QD 4.360 . 4.360 4.105 2.242 4.706 0.346 7 0 "[ . 1 . 2 . 3]" 1
823 1 2 GLN QE 1 3 TYR QE 4.440 . 4.440 3.882 2.283 4.624 0.184 7 0 "[ . 1 . 2 . 3]" 1
824 1 2 GLN QE 1 4 THR MG 5.340 . 5.340 5.336 4.561 5.635 0.295 23 0 "[ . 1 . 2 . 3]" 1
825 1 3 TYR QB 1 4 THR H 4.450 . 4.450 3.249 2.834 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 3 TYR QB 1 42 VAL QG 3.460 . 3.460 2.244 1.941 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 3 TYR QB 1 49 ILE MG 4.270 . 4.270 3.486 2.713 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 3 TYR QB 1 49 ILE MD 3.640 . 3.640 3.459 3.066 3.720 0.080 23 0 "[ . 1 . 2 . 3]" 1
829 1 3 TYR QD 1 42 VAL QG 4.480 . 4.480 3.550 3.222 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 3 TYR QD 1 65 LEU QD 4.140 . 4.140 2.903 2.179 4.197 0.057 7 0 "[ . 1 . 2 . 3]" 1
831 1 3 TYR QE 1 65 LEU QD 4.130 . 4.130 2.332 1.984 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 4 THR HA 1 42 VAL QG 3.550 . 3.550 2.904 2.129 3.553 0.003 19 0 "[ . 1 . 2 . 3]" 1
833 1 4 THR MG 1 42 VAL QG 4.770 . 4.770 4.036 3.667 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 5 PRO HA 1 42 VAL QG 5.440 . 5.440 2.294 2.028 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 5 PRO QB 1 6 ASP H 3.920 . 3.920 3.023 2.347 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 5 PRO QB 1 41 ARG HA 4.210 . 4.210 2.846 2.476 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 5 PRO QB 1 42 VAL H 4.120 . 4.120 3.142 2.759 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 5 PRO QB 1 42 VAL QG 4.010 . 4.010 3.301 2.374 4.019 0.009 20 0 "[ . 1 . 2 . 3]" 1
839 1 5 PRO QG 1 6 ASP H 4.240 . 4.240 2.974 1.964 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 5 PRO QG 1 42 VAL QG 5.280 . 5.280 3.727 2.350 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 5 PRO HD3 1 42 VAL QG 3.970 . 3.970 3.040 2.177 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 6 ASP HA 1 6 ASP QB 2.630 . 2.630 2.354 2.185 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 8 ALA HA 1 38 ASN QB 5.340 . 5.340 3.955 3.418 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 8 ALA MB 1 73 VAL QG 3.980 . 3.980 2.820 1.957 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 9 TRP H 1 9 TRP QB 3.650 . 3.650 2.308 2.292 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 9 TRP H 1 36 SER QB 5.340 . 5.340 4.105 3.622 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 9 TRP HA 1 73 VAL QG 3.830 . 3.830 3.376 2.910 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 9 TRP QB 1 10 LYS H 3.960 . 3.960 3.003 2.822 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 9 TRP QB 1 37 PHE H 4.710 . 4.710 3.599 3.367 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 9 TRP QB 1 37 PHE QE 4.340 . 4.340 2.600 2.428 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 9 TRP QB 1 70 VAL MG1 3.800 . 3.800 3.088 2.810 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 9 TRP QB 1 70 VAL MG2 4.290 . 4.290 3.723 3.527 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 9 TRP QB 1 71 GLU H 4.530 . 4.530 3.873 3.547 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 9 TRP HD1 1 73 VAL QG 4.910 . 4.910 4.783 4.237 5.021 0.111 18 0 "[ . 1 . 2 . 3]" 1
855 1 9 TRP HZ3 1 65 LEU QD 3.670 . 3.670 2.481 2.077 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 9 TRP HH2 1 65 LEU QD 5.440 . 5.440 3.279 2.495 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 10 LYS H 1 10 LYS QB 3.560 . 3.560 2.346 2.277 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 10 LYS H 1 73 VAL QG 4.000 . 4.000 3.022 2.638 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 10 LYS HA 1 10 LYS QG 3.630 . 3.630 2.271 2.204 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 10 LYS HA 1 36 SER QB 4.030 . 4.030 2.703 2.255 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 10 LYS HA 1 73 VAL QG 4.350 . 4.350 3.313 2.795 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 10 LYS QB 1 10 LYS QE 3.940 . 3.940 3.193 2.146 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 10 LYS QB 1 11 ILE H 4.350 . 4.350 3.654 3.414 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 10 LYS QB 1 36 SER HA 5.120 . 5.120 4.422 4.283 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 10 LYS QB 1 71 GLU H 4.700 . 4.700 2.723 2.389 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 10 LYS QB 1 73 VAL QG 3.410 . 3.410 2.030 1.880 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 10 LYS QE 1 10 LYS QG 3.310 . 3.310 2.210 2.111 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 10 LYS QG 1 11 ILE H 3.460 . 3.460 2.611 2.152 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 10 LYS QD 1 11 ILE H 5.340 . 5.340 4.587 2.936 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 10 LYS QD 1 73 VAL QG 5.280 . 5.280 2.598 2.162 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 10 LYS QE 1 73 VAL QG 4.080 . 4.080 3.273 2.108 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 11 ILE H 1 36 SER QB 5.340 . 5.340 3.999 3.522 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 11 ILE MG 1 13 GLY QA 5.340 . 5.340 3.292 3.054 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 11 ILE MG 1 33 PRO QB 3.380 . 3.380 2.228 2.068 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 11 ILE MG 1 33 PRO QD 5.350 . 5.350 3.666 3.205 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 11 ILE MD 1 35 SER QB 4.450 . 4.450 3.095 2.347 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 12 THR HB 1 69 GLU QB 5.100 . 5.100 2.484 2.072 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 12 THR MG 1 69 GLU QB 4.220 . 4.220 3.038 2.531 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 13 GLY H 1 69 GLU QB 3.650 . 3.650 2.640 2.208 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 13 GLY H 1 69 GLU QG 5.340 . 5.340 4.541 3.937 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 13 GLY QA 1 69 GLU H 5.340 . 5.340 4.491 4.338 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 14 PHE H 1 69 GLU QB 5.330 . 5.330 4.740 4.331 5.001 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 14 PHE HA 1 68 LEU QD 3.990 . 3.990 2.172 2.023 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 14 PHE HA 1 69 GLU QG 4.690 . 4.690 3.992 3.204 4.716 0.026 14 0 "[ . 1 . 2 . 3]" 1
885 1 14 PHE HB3 1 68 LEU QD 3.290 . 3.290 2.704 2.306 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 14 PHE QD 1 15 SER QB 5.340 . 5.340 5.314 4.904 5.457 0.117 28 0 "[ . 1 . 2 . 3]" 1
887 1 14 PHE QD 1 23 ARG QG 3.450 . 3.450 3.217 2.948 3.544 0.094 2 0 "[ . 1 . 2 . 3]" 1
888 1 14 PHE QD 1 23 ARG QD 4.190 . 4.190 3.865 3.261 4.311 0.121 5 0 "[ . 1 . 2 . 3]" 1
889 1 14 PHE QD 1 32 LEU QD 4.600 . 4.600 4.797 4.649 4.924 0.324 5 0 "[ . 1 . 2 . 3]" 1
890 1 14 PHE QE 1 23 ARG QG 3.660 . 3.660 3.046 2.777 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 14 PHE QE 1 32 LEU QD 4.100 . 4.100 3.226 2.969 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 15 SER H 1 68 LEU QD 3.920 . 3.920 3.114 2.074 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 15 SER H 1 69 GLU QG 4.700 . 4.700 3.836 3.229 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 15 SER HA 1 15 SER QB 2.580 . 2.580 2.361 2.176 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 15 SER HA 1 16 ARG QG 5.340 . 5.340 4.102 3.622 5.689 0.349 7 0 "[ . 1 . 2 . 3]" 1
896 1 15 SER HA 1 67 LEU QD 5.190 . 5.190 5.229 4.867 5.432 0.242 8 0 "[ . 1 . 2 . 3]" 1
897 1 15 SER HA 1 69 GLU QG 3.930 . 3.930 3.257 2.675 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 15 SER QB 1 16 ARG H 4.140 . 4.140 2.838 2.224 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 15 SER QB 1 17 GLU H 3.860 . 3.860 3.056 2.503 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 15 SER QB 1 17 GLU HB3 4.680 . 4.680 4.114 3.390 4.832 0.152 23 0 "[ . 1 . 2 . 3]" 1
901 1 15 SER QB 1 18 ILE H 4.090 . 4.090 3.008 2.564 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 15 SER QB 1 18 ILE MG 4.990 . 4.990 4.206 3.935 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 15 SER QB 1 18 ILE HG12 5.340 . 5.340 5.328 4.876 5.443 0.103 6 0 "[ . 1 . 2 . 3]" 1
904 1 15 SER QB 1 67 LEU HA 4.350 . 4.350 3.440 2.988 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 15 SER QB 1 67 LEU QD 3.590 . 3.590 2.899 2.550 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 15 SER QB 1 69 GLU H 5.340 . 5.340 4.297 3.639 5.211 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 15 SER QB 1 69 GLU QG 4.640 . 4.640 3.491 2.744 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 16 ARG H 1 16 ARG QB 3.650 . 3.650 2.347 2.236 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 16 ARG H 1 16 ARG QG 4.230 . 4.230 2.509 1.904 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 16 ARG HA 1 16 ARG QG 3.610 . 3.610 2.455 2.247 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 16 ARG HA 1 16 ARG QD 4.840 . 4.840 3.857 2.204 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 16 ARG QB 1 17 GLU H 3.940 . 3.940 2.710 2.532 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 17 GLU HA 1 17 GLU QG 3.460 . 3.460 2.433 2.247 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 17 GLU HB3 1 67 LEU QD 3.310 . 3.310 2.402 2.052 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 17 GLU QG 1 67 LEU QD 3.830 . 3.830 3.160 2.398 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 18 ILE H 1 67 LEU QD 4.220 . 4.220 3.891 2.849 4.354 0.134 30 0 "[ . 1 . 2 . 3]" 1
917 1 18 ILE MG 1 19 SER QB 5.180 . 5.180 4.812 4.664 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 18 ILE MG 1 23 ARG QG 3.000 . 3.000 3.047 2.909 3.166 0.166 15 0 "[ . 1 . 2 . 3]" 1
919 1 18 ILE MG 1 23 ARG QD 3.900 . 3.900 2.596 2.179 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 18 ILE HG12 1 68 LEU QD 5.110 . 5.110 3.937 3.177 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 18 ILE MD 1 19 SER QB 5.340 . 5.340 3.647 3.194 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 19 SER H 1 19 SER QB 3.590 . 3.590 2.352 2.073 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 19 SER QB 1 22 TYR H 3.930 . 3.930 3.222 2.794 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 19 SER QB 1 22 TYR HB3 4.630 . 4.630 3.826 3.126 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 20 PRO HA 1 23 ARG QD 4.680 . 4.680 3.795 3.353 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 21 ALA HA 1 24 GLN QB 3.710 . 3.710 2.895 2.663 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 21 ALA HA 1 24 GLN QG 4.770 . 4.770 4.395 3.741 4.810 0.040 8 0 "[ . 1 . 2 . 3]" 1
928 1 21 ALA MB 1 24 GLN QB 4.610 . 4.610 4.201 4.064 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 22 TYR HA 1 25 LYS QB 4.020 . 4.020 2.617 2.346 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 22 TYR HA 1 25 LYS QG 4.990 . 4.990 3.570 2.397 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 22 TYR HB2 1 58 LEU QD 5.120 . 5.120 5.134 4.879 5.216 0.096 29 0 "[ . 1 . 2 . 3]" 1
932 1 22 TYR QD 1 25 LYS QB 5.340 . 5.340 4.066 3.910 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 22 TYR QD 1 58 LEU QD 3.600 . 3.600 3.339 3.027 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 22 TYR QD 1 60 LEU QD 3.070 . 3.070 2.361 2.140 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 22 TYR QE 1 23 ARG QG 5.340 . 5.340 5.428 5.337 5.512 0.172 12 0 "[ . 1 . 2 . 3]" 1
936 1 22 TYR QE 1 58 LEU QB 5.340 . 5.340 5.093 4.746 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 22 TYR QE 1 58 LEU QD 3.540 . 3.540 2.362 2.156 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 22 TYR QE 1 60 LEU QD 3.290 . 3.290 2.109 1.962 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 22 TYR QE 1 65 LEU QD 5.440 . 5.440 5.353 5.017 5.527 0.087 9 0 "[ . 1 . 2 . 3]" 1
940 1 23 ARG H 1 24 GLN QB 4.940 . 4.940 4.509 4.430 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 23 ARG HA 1 23 ARG QG 3.640 . 3.640 2.305 2.259 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 23 ARG HB3 1 23 ARG QD 3.290 . 3.290 2.640 2.355 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 23 ARG QG 1 24 GLN H 4.520 . 4.520 3.738 3.574 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 23 ARG QD 1 24 GLN H 5.340 . 5.340 4.766 4.326 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 24 GLN H 1 24 GLN QB 3.050 . 3.050 2.241 2.125 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 24 GLN H 1 24 GLN QG 4.500 . 4.500 3.682 2.406 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 24 GLN H 1 27 LEU QD 5.440 . 5.440 4.855 4.051 5.524 0.084 11 0 "[ . 1 . 2 . 3]" 1
948 1 24 GLN HA 1 24 GLN QG 3.500 . 3.500 2.476 2.242 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 24 GLN HA 1 24 GLN QE 5.340 . 5.340 3.555 2.920 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 24 GLN HA 1 27 LEU QB 4.200 . 4.200 2.467 2.255 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 24 GLN HA 1 27 LEU QD 3.660 . 3.660 3.062 2.275 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 24 GLN QB 1 24 GLN QG 2.370 . 2.370 2.053 2.015 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 24 GLN QB 1 25 LYS H 3.370 . 3.370 2.709 2.613 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 24 GLN QB 1 26 LEU H 5.290 . 5.290 4.858 4.764 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 24 GLN QB 1 27 LEU H 5.340 . 5.340 4.866 4.605 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 24 GLN QB 1 27 LEU QD 4.730 . 4.730 4.346 3.783 4.773 0.043 12 0 "[ . 1 . 2 . 3]" 1
957 1 24 GLN QG 1 27 LEU QB 3.720 . 3.720 3.629 3.070 4.067 0.347 16 0 "[ . 1 . 2 . 3]" 1
958 1 24 GLN QG 1 27 LEU QD 4.120 . 4.120 3.766 2.878 4.489 0.369 1 0 "[ . 1 . 2 . 3]" 1
959 1 24 GLN QE 1 27 LEU QD 4.310 . 4.310 3.339 1.892 4.541 0.231 21 0 "[ . 1 . 2 . 3]" 1
960 1 25 LYS H 1 25 LYS QB 3.010 . 3.010 2.300 2.113 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 25 LYS H 1 25 LYS QG 4.450 . 4.450 3.081 2.123 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 25 LYS HA 1 25 LYS QG 3.640 . 3.640 2.370 2.230 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 25 LYS HA 1 29 LEU QD 4.770 . 4.770 4.059 3.581 4.815 0.045 9 0 "[ . 1 . 2 . 3]" 1
964 1 25 LYS QB 1 26 LEU H 3.740 . 3.740 2.506 2.333 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 25 LYS QB 1 26 LEU MD2 3.440 . 3.440 2.501 2.230 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 25 LYS QB 1 29 LEU QD 4.950 . 4.950 3.644 2.678 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 25 LYS QB 1 58 LEU QD 5.280 . 5.280 4.278 3.858 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 25 LYS QG 1 26 LEU H 4.700 . 4.700 4.041 3.650 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 26 LEU HA 1 29 LEU QD 3.820 . 3.820 2.450 2.068 3.880 0.060 15 0 "[ . 1 . 2 . 3]" 1
970 1 26 LEU HA 1 32 LEU QD 4.590 . 4.590 3.521 3.124 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 26 LEU HB3 1 32 LEU QD 3.550 . 3.550 2.718 2.237 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 27 LEU H 1 27 LEU QB 2.910 . 2.910 2.287 2.169 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 27 LEU H 1 27 LEU QD 3.760 . 3.760 3.116 1.857 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 27 LEU HA 1 27 LEU QD 3.610 . 3.610 2.409 1.973 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 27 LEU QB 1 27 LEU QD 2.660 . 2.660 1.923 1.898 2.007 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 27 LEU QB 1 28 SER H 3.530 . 3.530 2.777 2.450 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 27 LEU QD 1 28 SER H 4.680 . 4.680 3.813 3.153 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 28 SER H 1 28 SER QB 3.230 . 3.230 2.359 2.201 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 28 SER H 1 29 LEU QD 5.440 . 5.440 3.945 2.833 5.511 0.071 15 0 "[ . 1 . 2 . 3]" 1
980 1 28 SER QB 1 29 LEU H 3.940 . 3.940 2.658 2.431 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 28 SER QB 1 29 LEU QD 4.360 . 4.360 3.482 1.968 4.626 0.266 15 0 "[ . 1 . 2 . 3]" 1
982 1 29 LEU H 1 29 LEU QB 3.280 . 3.280 2.865 2.192 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 29 LEU H 1 29 LEU QD 3.470 . 3.470 2.287 1.589 3.761 0.291 26 0 "[ . 1 . 2 . 3]" 1
984 1 29 LEU QB 1 29 LEU QD 2.730 . 2.730 1.924 1.891 2.016 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 29 LEU QB 1 30 GLY H 3.870 . 3.870 2.761 1.951 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 29 LEU QD 1 30 GLY H 4.660 . 4.660 3.321 1.858 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 29 LEU QD 1 31 MET H 4.120 . 4.120 2.079 1.649 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 29 LEU QD 1 31 MET HA 4.880 . 4.880 3.779 3.468 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 29 LEU QD 1 31 MET QB 3.890 . 3.890 2.022 1.870 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 29 LEU QD 1 31 MET QG 4.020 . 4.020 3.102 2.107 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 29 LEU QD 1 32 LEU H 4.250 . 4.250 4.192 3.593 4.685 0.435 21 0 "[ . 1 . 2 . 3]" 1
992 1 29 LEU QD 1 32 LEU HA 5.040 . 5.040 3.872 2.815 5.156 0.116 15 0 "[ . 1 . 2 . 3]" 1
993 1 30 GLY HA2 1 32 LEU QD 3.320 . 3.320 2.916 2.538 3.438 0.118 9 0 "[ . 1 . 2 . 3]" 1
994 1 30 GLY HA3 1 32 LEU QD 4.880 . 4.880 4.187 3.720 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 31 MET H 1 31 MET QG 4.550 . 4.550 3.056 1.972 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 31 MET QB 1 31 MET QG 2.310 . 2.310 2.079 2.029 2.109 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 31 MET QB 1 32 LEU H 4.260 . 4.260 3.922 3.847 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 32 LEU H 1 33 PRO QD 4.580 . 4.580 4.401 4.380 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 32 LEU HA 1 32 LEU QD 2.950 . 2.950 2.327 1.939 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 32 LEU HB2 1 33 PRO QD 5.350 . 5.350 3.590 3.521 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 32 LEU HB3 1 32 LEU QD 3.000 . 3.000 2.219 2.078 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 32 LEU QD 1 33 PRO QD 3.480 . 3.480 2.357 1.999 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 33 PRO QB 1 34 GLY H 3.950 . 3.950 2.404 2.127 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 33 PRO QB 1 34 GLY QA 5.180 . 5.180 3.528 3.422 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 33 PRO HG2 1 34 GLY QA 5.500 . 5.500 5.757 5.626 5.877 0.377 9 0 "[ . 1 . 2 . 3]" 1
1006 1 35 SER QB 1 36 SER H 3.370 . 3.370 2.053 1.769 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 36 SER H 1 36 SER QB 3.570 . 3.570 2.816 2.538 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 36 SER HA 1 73 VAL QG 5.440 . 5.440 4.418 3.749 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 36 SER QB 1 37 PHE H 3.800 . 3.800 2.713 2.404 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 36 SER QB 1 73 VAL QG 4.030 . 4.030 2.806 2.163 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 38 ASN H 1 38 ASN QB 3.490 . 3.490 2.608 2.389 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 40 VAL MG1 1 41 ARG QD 3.870 . 3.870 3.758 3.464 3.872 0.002 4 0 "[ . 1 . 2 . 3]" 1
1013 1 40 VAL MG1 1 52 GLU QB 4.180 . 4.180 3.159 2.371 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 40 VAL MG1 1 52 GLU QG 4.080 . 4.080 2.897 2.127 4.216 0.136 16 0 "[ . 1 . 2 . 3]" 1
1015 1 41 ARG HA 1 41 ARG QD 4.920 . 4.920 4.344 4.254 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 41 ARG HA 1 42 VAL QG 3.840 . 3.840 3.269 2.991 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 41 ARG HB2 1 41 ARG QD 3.100 . 3.100 2.479 2.412 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 41 ARG HB3 1 41 ARG QD 3.470 . 3.470 2.484 2.315 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 42 VAL H 1 42 VAL QG 3.580 . 3.580 2.446 1.857 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 42 VAL H 1 44 PRO QD 5.350 . 5.350 4.820 4.636 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 42 VAL HA 1 42 VAL QG 2.940 . 2.940 2.161 2.060 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 42 VAL HB 1 44 PRO QD 4.700 . 4.700 4.480 4.282 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 42 VAL QG 1 43 ALA H 3.570 . 3.570 3.159 2.514 3.699 0.129 4 0 "[ . 1 . 2 . 3]" 1
1024 1 43 ALA H 1 44 PRO QD 4.670 . 4.670 4.148 4.107 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 43 ALA HA 1 44 PRO QG 4.240 . 4.240 4.004 3.951 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 43 ALA HA 1 44 PRO QD 3.410 . 3.410 2.074 2.020 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 43 ALA HA 1 45 LEU QB 5.340 . 5.340 4.715 4.458 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 43 ALA MB 1 44 PRO QG 5.050 . 5.050 4.682 4.595 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 43 ALA MB 1 44 PRO QD 3.540 . 3.540 3.209 3.126 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 43 ALA MB 1 45 LEU QB 4.030 . 4.030 2.953 2.629 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 44 PRO QD 1 45 LEU H 4.960 . 4.960 2.550 2.485 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 45 LEU H 1 45 LEU QB 3.430 . 3.430 2.387 2.111 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 45 LEU H 1 45 LEU QD 4.420 . 4.420 2.587 1.730 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 45 LEU HA 1 45 LEU QD 2.950 . 2.950 2.185 1.980 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 45 LEU QB 1 45 LEU QD 2.730 . 2.730 1.939 1.904 2.009 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 45 LEU QB 1 46 GLY H 3.810 . 3.810 2.930 2.755 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 45 LEU QB 1 47 ASP H 4.050 . 4.050 3.481 3.316 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 45 LEU QB 1 47 ASP QB 5.180 . 5.180 3.670 3.064 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 45 LEU QD 1 46 GLY H 4.450 . 4.450 3.995 3.679 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 45 LEU QD 1 47 ASP H 5.220 . 5.220 4.644 4.374 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 46 GLY H 1 47 ASP QB 4.590 . 4.590 3.777 3.421 4.617 0.027 30 0 "[ . 1 . 2 . 3]" 1
1042 1 47 ASP H 1 47 ASP QB 3.260 . 3.260 2.354 2.159 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 47 ASP HA 1 48 PRO QD 3.560 . 3.560 2.168 2.107 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 47 ASP QB 1 48 PRO HA 5.150 . 5.150 4.581 4.422 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 48 PRO HA 1 59 VAL QG 4.860 . 4.860 4.359 4.178 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 48 PRO HB2 1 59 VAL QG 3.380 . 3.380 2.188 2.037 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 48 PRO HB3 1 61 ARG QD 5.340 . 5.340 3.966 2.174 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 49 ILE H 1 59 VAL QG 3.990 . 3.990 3.326 2.911 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 49 ILE HB 1 65 LEU QD 3.640 . 3.640 2.465 2.198 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 49 ILE MG 1 65 LEU QD 3.240 . 3.240 2.145 1.870 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 49 ILE HG12 1 59 VAL QG 4.810 . 4.810 4.888 4.659 5.007 0.197 24 0 "[ . 1 . 2 . 3]" 1
1052 1 49 ILE HG12 1 65 LEU QD 4.950 . 4.950 3.130 2.688 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 49 ILE HG13 1 65 LEU QD 5.420 . 5.420 2.297 2.083 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 49 ILE MD 1 62 LYS QB 4.090 . 4.090 2.514 2.275 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 49 ILE MD 1 65 LEU QD 4.160 . 4.160 3.389 3.099 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 50 HIS HA 1 59 VAL QG 3.820 . 3.820 2.492 2.218 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 50 HIS HB2 1 59 VAL QG 5.440 . 5.440 4.306 3.829 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 50 HIS HB3 1 59 VAL QG 5.440 . 5.440 3.975 3.063 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 50 HIS HD2 1 59 VAL QG 3.910 . 3.910 2.215 2.097 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 50 HIS HE1 1 59 VAL QG 4.370 . 4.370 3.512 2.909 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 52 GLU H 1 52 GLU QG 4.650 . 4.650 3.263 1.950 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 52 GLU QB 1 52 GLU QG 2.190 . 2.190 2.076 2.026 2.110 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 52 GLU QB 1 53 THR H 4.220 . 4.220 3.343 2.846 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 52 GLU QG 1 53 THR H 5.280 . 5.280 3.825 2.699 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 52 GLU QG 1 57 SER HA 5.290 . 5.290 3.527 2.598 5.407 0.117 14 0 "[ . 1 . 2 . 3]" 1
1066 1 52 GLU QG 1 57 SER QB 4.760 . 4.760 3.102 2.152 4.974 0.214 1 0 "[ . 1 . 2 . 3]" 1
1067 1 53 THR HB 1 54 ARG QG 4.380 . 4.380 4.201 3.577 4.596 0.216 8 0 "[ . 1 . 2 . 3]" 1
1068 1 55 ARG H 1 55 ARG QG 4.590 . 4.590 2.772 1.791 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 55 ARG HA 1 55 ARG QG 3.640 . 3.640 2.616 2.266 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 55 ARG HA 1 55 ARG QD 4.740 . 4.740 3.453 2.164 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 55 ARG QB 1 56 VAL H 4.310 . 4.310 2.731 2.284 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 55 ARG QB 1 56 VAL QG 4.490 . 4.490 2.757 2.239 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 55 ARG QD 1 56 VAL QG 4.850 . 4.850 4.160 2.884 4.934 0.084 16 0 "[ . 1 . 2 . 3]" 1
1074 1 56 VAL H 1 56 VAL QG 3.790 . 3.790 2.477 2.319 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 56 VAL QG 1 57 SER H 3.510 . 3.510 2.170 1.595 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 56 VAL QG 1 58 LEU H 4.770 . 4.770 4.478 4.093 4.832 0.062 15 0 "[ . 1 . 2 . 3]" 1
1077 1 57 SER H 1 57 SER QB 3.320 . 3.320 2.600 2.306 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 57 SER HA 1 58 LEU QD 5.440 . 5.440 5.121 5.060 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 57 SER QB 1 58 LEU H 4.280 . 4.280 3.046 2.582 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 58 LEU H 1 58 LEU QB 3.420 . 3.420 2.771 2.624 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 58 LEU H 1 58 LEU QD 4.970 . 4.970 4.033 3.979 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 58 LEU HA 1 58 LEU QD 3.620 . 3.620 2.213 2.103 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 58 LEU HA 1 59 VAL QG 4.810 . 4.810 3.458 3.330 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 58 LEU QB 1 59 VAL H 4.040 . 4.040 3.494 3.261 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 58 LEU QD 1 59 VAL HA 4.460 . 4.460 4.012 3.166 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 59 VAL H 1 59 VAL QG 3.420 . 3.420 2.057 1.875 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 59 VAL HA 1 60 LEU QD 5.440 . 5.440 4.222 3.213 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 59 VAL HA 1 65 LEU QD 5.440 . 5.440 5.154 4.738 5.458 0.018 3 0 "[ . 1 . 2 . 3]" 1
1089 1 59 VAL QG 1 60 LEU H 3.890 . 3.890 2.546 2.338 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 59 VAL QG 1 60 LEU HA 4.350 . 4.350 3.315 3.270 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 59 VAL QG 1 60 LEU QB 4.620 . 4.620 4.192 4.022 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 59 VAL QG 1 61 ARG H 5.440 . 5.440 4.598 4.271 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 59 VAL QG 1 61 ARG HA 5.440 . 5.440 4.562 4.280 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 60 LEU H 1 60 LEU QB 3.510 . 3.510 2.639 2.469 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 60 LEU H 1 65 LEU QD 5.440 . 5.440 3.768 3.277 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 60 LEU HA 1 60 LEU QD 3.310 . 3.310 2.182 2.100 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 60 LEU QB 1 60 LEU QD 2.730 . 2.730 1.906 1.892 1.927 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 60 LEU QB 1 61 ARG H 3.600 . 3.600 2.521 2.085 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 60 LEU QB 1 64 ASP QB 4.710 . 4.710 2.171 2.012 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 60 LEU QB 1 65 LEU QD 3.380 . 3.380 2.144 1.884 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 60 LEU QD 1 61 ARG H 4.170 . 4.170 3.246 2.767 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 60 LEU QD 1 64 ASP H 4.850 . 4.850 4.836 4.222 5.029 0.179 23 0 "[ . 1 . 2 . 3]" 1
1103 1 60 LEU QD 1 64 ASP QB 3.330 . 3.330 2.473 1.948 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 60 LEU QD 1 65 LEU HA 5.340 . 5.340 4.261 2.847 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 60 LEU QD 1 65 LEU QD 3.620 . 3.620 2.631 1.899 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 60 LEU QD 1 68 LEU QB 5.100 . 5.100 3.960 3.011 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 60 LEU QD 1 68 LEU QD 3.550 . 3.550 2.505 1.853 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 61 ARG H 1 64 ASP QB 4.190 . 4.190 2.626 2.238 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 61 ARG HA 1 61 ARG QD 3.750 . 3.750 3.579 2.242 4.049 0.299 28 0 "[ . 1 . 2 . 3]" 1
1110 1 61 ARG HB3 1 63 LYS QE 5.340 . 5.340 4.594 3.213 5.431 0.091 12 0 "[ . 1 . 2 . 3]" 1
1111 1 61 ARG QD 1 63 LYS H 5.340 . 5.340 4.660 3.537 5.415 0.075 8 0 "[ . 1 . 2 . 3]" 1
1112 1 62 LYS H 1 62 LYS QB 3.410 . 3.410 2.380 2.170 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 62 LYS HA 1 65 LEU QD 4.670 . 4.670 2.862 2.402 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 62 LYS QB 1 62 LYS QE 3.470 . 3.470 2.643 2.129 3.531 0.061 23 0 "[ . 1 . 2 . 3]" 1
1115 1 62 LYS QB 1 63 LYS H 3.500 . 3.500 2.965 2.395 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 62 LYS QE 1 62 LYS QG 3.240 . 3.240 2.199 2.056 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 62 LYS QG 1 63 LYS H 3.990 . 3.990 2.743 1.835 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 62 LYS QG 1 63 LYS HA 4.230 . 4.230 3.456 3.069 4.298 0.068 24 0 "[ . 1 . 2 . 3]" 1
1119 1 62 LYS QE 1 63 LYS H 5.340 . 5.340 4.760 3.951 5.544 0.204 18 0 "[ . 1 . 2 . 3]" 1
1120 1 63 LYS H 1 63 LYS QB 3.460 . 3.460 2.388 2.183 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 63 LYS HA 1 63 LYS QD 4.840 . 4.840 4.020 3.893 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 63 LYS QB 1 63 LYS QE 3.260 . 3.260 2.693 2.015 3.519 0.259 14 0 "[ . 1 . 2 . 3]" 1
1123 1 63 LYS QE 1 63 LYS QG 3.310 . 3.310 2.216 2.113 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 64 ASP H 1 64 ASP QB 3.350 . 3.350 2.302 2.185 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 64 ASP QB 1 65 LEU H 3.760 . 3.760 2.515 2.367 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 64 ASP QB 1 65 LEU QD 4.820 . 4.820 2.517 2.225 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 65 LEU H 1 65 LEU QD 4.480 . 4.480 2.002 1.691 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 65 LEU HA 1 65 LEU QD 3.510 . 3.510 2.222 1.975 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 65 LEU HA 1 68 LEU QB 4.850 . 4.850 2.419 2.246 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 65 LEU HA 1 68 LEU QD 3.560 . 3.560 2.998 2.326 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 65 LEU QD 1 66 ALA MB 5.440 . 5.440 4.760 4.654 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 65 LEU QD 1 68 LEU QB 4.310 . 4.310 3.488 3.007 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 65 LEU QD 1 68 LEU QD 3.560 . 3.560 2.953 2.273 3.579 0.019 20 0 "[ . 1 . 2 . 3]" 1
1134 1 66 ALA HA 1 67 LEU QD 5.160 . 5.160 4.720 4.096 5.220 0.060 7 0 "[ . 1 . 2 . 3]" 1
1135 1 66 ALA MB 1 67 LEU QD 3.380 . 3.380 2.889 2.159 3.481 0.101 7 0 "[ . 1 . 2 . 3]" 1
1136 1 67 LEU H 1 67 LEU QD 3.650 . 3.650 2.640 1.907 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 67 LEU HA 1 67 LEU QD 3.330 . 3.330 2.165 1.969 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 67 LEU QD 1 68 LEU H 4.570 . 4.570 3.946 3.764 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 68 LEU H 1 68 LEU QD 4.830 . 4.830 3.416 3.053 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 68 LEU HA 1 68 LEU QD 3.420 . 3.420 2.185 2.113 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 68 LEU QB 1 68 LEU QD 2.850 . 2.850 1.913 1.895 1.935 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 68 LEU QB 1 69 GLU H 4.440 . 4.440 3.454 2.930 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 68 LEU QB 1 70 VAL MG1 3.280 . 3.280 2.856 2.539 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 68 LEU QD 1 69 GLU H 3.460 . 3.460 3.040 2.200 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 69 GLU H 1 69 GLU QB 3.360 . 3.360 2.424 2.361 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 69 GLU H 1 69 GLU QG 3.250 . 3.250 2.272 1.922 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 69 GLU HA 1 69 GLU QG 3.310 . 3.310 2.562 2.335 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 69 GLU QB 1 69 GLU QG 2.360 . 2.360 2.076 2.029 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 69 GLU QB 1 70 VAL H 3.850 . 3.850 3.495 3.411 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 71 GLU H 1 71 GLU QB 3.660 . 3.660 2.705 2.661 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 71 GLU QB 1 73 VAL HA 4.910 . 4.910 5.014 4.660 5.197 0.287 2 0 "[ . 1 . 2 . 3]" 1
1152 1 71 GLU QB 1 73 VAL QG 3.950 . 3.950 3.889 2.870 4.314 0.364 15 0 "[ . 1 . 2 . 3]" 1
1153 1 71 GLU QG 1 72 ALA H 4.680 . 4.680 3.421 2.224 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 72 ALA HA 1 73 VAL QG 4.520 . 4.520 3.330 3.133 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 73 VAL H 1 73 VAL QG 3.410 . 3.410 2.203 1.718 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 73 VAL HA 1 73 VAL QG 3.020 . 3.020 2.121 2.048 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 73 VAL QG 1 74 SER H 4.830 . 4.830 2.752 1.794 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 73 VAL QG 1 74 SER HA 4.050 . 4.050 3.678 3.267 4.271 0.221 6 0 "[ . 1 . 2 . 3]" 1
1159 1 73 VAL QG 1 74 SER QB 4.850 . 4.850 4.297 3.729 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 75 SER QB 1 76 LEU H 4.170 . 4.170 3.043 2.341 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 75 SER QB 1 77 GLU H 4.620 . 4.620 3.518 2.452 4.661 0.041 29 0 "[ . 1 . 2 . 3]" 1
1162 1 76 LEU H 1 76 LEU QB 3.670 . 3.670 2.508 2.165 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 76 LEU QB 1 77 GLU H 4.280 . 4.280 3.220 1.798 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 76 LEU QB 1 77 GLU HA 4.520 . 4.520 4.387 3.965 4.691 0.171 28 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 594
_Distance_constraint_stats_list.Viol_total 1673.067
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0652
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0465
_Distance_constraint_stats_list.Viol_average_violations_only 0.0939
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 TRP 2.694 0.122 14 0 "[ . 1 . 2 . 3]"
1 10 LYS 3.183 0.166 28 0 "[ . 1 . 2 . 3]"
1 11 ILE 0.099 0.046 12 0 "[ . 1 . 2 . 3]"
1 12 THR 3.427 0.161 8 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.134 0.050 4 0 "[ . 1 . 2 . 3]"
1 21 ALA 4.321 0.185 13 0 "[ . 1 . 2 . 3]"
1 22 TYR 10.131 0.295 1 0 "[ . 1 . 2 . 3]"
1 23 ARG 5.584 0.259 1 0 "[ . 1 . 2 . 3]"
1 24 GLN 0.161 0.050 4 0 "[ . 1 . 2 . 3]"
1 25 LYS 4.321 0.185 13 0 "[ . 1 . 2 . 3]"
1 26 LEU 10.131 0.295 1 0 "[ . 1 . 2 . 3]"
1 27 LEU 5.584 0.259 1 0 "[ . 1 . 2 . 3]"
1 28 SER 0.027 0.027 9 0 "[ . 1 . 2 . 3]"
1 35 SER 0.099 0.046 12 0 "[ . 1 . 2 . 3]"
1 37 PHE 2.694 0.122 14 0 "[ . 1 . 2 . 3]"
1 38 ASN 8.862 0.268 28 0 "[ . 1 . 2 . 3]"
1 49 ILE 0.710 0.156 24 0 "[ . 1 . 2 . 3]"
1 51 ILE 4.346 0.132 17 0 "[ . 1 . 2 . 3]"
1 52 GLU 8.862 0.268 28 0 "[ . 1 . 2 . 3]"
1 53 THR 6.614 0.308 11 0 "[ . 1 . 2 . 3]"
1 56 VAL 6.614 0.308 11 0 "[ . 1 . 2 . 3]"
1 58 LEU 4.346 0.132 17 0 "[ . 1 . 2 . 3]"
1 60 LEU 0.710 0.156 24 0 "[ . 1 . 2 . 3]"
1 62 LYS 4.058 0.160 17 0 "[ . 1 . 2 . 3]"
1 63 LYS 1.579 0.089 26 0 "[ . 1 . 2 . 3]"
1 66 ALA 4.058 0.160 17 0 "[ . 1 . 2 . 3]"
1 67 LEU 1.579 0.089 26 0 "[ . 1 . 2 . 3]"
1 69 GLU 3.427 0.161 8 0 "[ . 1 . 2 . 3]"
1 71 GLU 3.183 0.166 28 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 9 TRP H 1 37 PHE O 2.000 . 2.000 2.081 2.020 2.122 0.122 14 0 "[ . 1 . 2 . 3]" 2
2 1 9 TRP N 1 37 PHE O 3.000 . 3.000 2.994 2.906 3.041 0.041 14 0 "[ . 1 . 2 . 3]" 2
3 1 10 LYS H 1 71 GLU O 2.000 . 2.000 1.757 1.630 2.029 0.029 6 0 "[ . 1 . 2 . 3]" 2
4 1 10 LYS N 1 71 GLU O 3.000 . 3.000 2.644 2.506 2.873 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 11 ILE H 1 35 SER O 2.000 . 2.000 1.891 1.668 2.046 0.046 12 0 "[ . 1 . 2 . 3]" 2
6 1 11 ILE N 1 35 SER O 3.000 . 3.000 2.827 2.567 3.022 0.022 12 0 "[ . 1 . 2 . 3]" 2
7 1 12 THR H 1 69 GLU O 2.000 . 2.000 2.096 2.024 2.161 0.161 8 0 "[ . 1 . 2 . 3]" 2
8 1 12 THR N 1 69 GLU O 3.000 . 3.000 3.006 2.918 3.099 0.099 1 0 "[ . 1 . 2 . 3]" 2
9 1 9 TRP O 1 37 PHE H 2.000 . 2.000 1.960 1.837 2.016 0.016 5 0 "[ . 1 . 2 . 3]" 2
10 1 9 TRP O 1 37 PHE N 3.000 . 3.000 2.891 2.799 2.951 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 51 ILE H 1 58 LEU O 2.000 . 2.000 2.012 1.902 2.127 0.127 21 0 "[ . 1 . 2 . 3]" 2
12 1 51 ILE N 1 58 LEU O 3.000 . 3.000 2.921 2.844 3.064 0.064 21 0 "[ . 1 . 2 . 3]" 2
13 1 38 ASN O 1 52 GLU H 2.000 . 2.000 2.190 2.142 2.268 0.268 28 0 "[ . 1 . 2 . 3]" 2
14 1 38 ASN O 1 52 GLU N 3.000 . 3.000 3.105 3.049 3.183 0.183 28 0 "[ . 1 . 2 . 3]" 2
15 1 53 THR H 1 56 VAL O 2.000 . 2.000 1.850 1.635 2.086 0.086 5 0 "[ . 1 . 2 . 3]" 2
16 1 53 THR N 1 56 VAL O 3.000 . 3.000 2.687 2.509 2.921 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 53 THR O 1 56 VAL H 2.000 . 2.000 2.172 2.076 2.308 0.308 11 0 "[ . 1 . 2 . 3]" 2
18 1 53 THR O 1 56 VAL N 3.000 . 3.000 2.732 2.582 3.239 0.239 11 0 "[ . 1 . 2 . 3]" 2
19 1 51 ILE O 1 58 LEU H 2.000 . 2.000 2.077 2.037 2.132 0.132 17 0 "[ . 1 . 2 . 3]" 2
20 1 51 ILE O 1 58 LEU N 3.000 . 3.000 3.036 2.986 3.113 0.113 17 0 "[ . 1 . 2 . 3]" 2
21 1 49 ILE H 1 60 LEU O 2.000 . 2.000 1.655 1.563 1.739 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 49 ILE N 1 60 LEU O 3.000 . 3.000 2.501 2.417 2.573 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 49 ILE O 1 60 LEU H 2.000 . 2.000 1.893 1.675 2.156 0.156 24 0 "[ . 1 . 2 . 3]" 2
24 1 49 ILE O 1 60 LEU N 3.000 . 3.000 2.816 2.592 3.108 0.108 24 0 "[ . 1 . 2 . 3]" 2
25 1 10 LYS O 1 71 GLU H 2.000 . 2.000 2.092 1.979 2.166 0.166 28 0 "[ . 1 . 2 . 3]" 2
26 1 10 LYS O 1 71 GLU N 3.000 . 3.000 2.980 2.877 3.066 0.066 28 0 "[ . 1 . 2 . 3]" 2
27 1 20 PRO O 1 24 GLN H 2.000 . 2.000 1.820 1.628 2.050 0.050 4 0 "[ . 1 . 2 . 3]" 2
28 1 20 PRO O 1 24 GLN N 3.000 . 3.000 2.728 2.514 2.928 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 21 ALA O 1 25 LYS H 2.000 . 2.000 2.135 2.080 2.185 0.185 13 0 "[ . 1 . 2 . 3]" 2
30 1 21 ALA O 1 25 LYS N 3.000 . 3.000 2.983 2.870 3.052 0.052 23 0 "[ . 1 . 2 . 3]" 2
31 1 22 TYR O 1 26 LEU H 2.000 . 2.000 2.209 2.152 2.295 0.295 1 0 "[ . 1 . 2 . 3]" 2
32 1 22 TYR O 1 26 LEU N 3.000 . 3.000 3.128 3.077 3.197 0.197 1 0 "[ . 1 . 2 . 3]" 2
33 1 23 ARG O 1 27 LEU H 2.000 . 2.000 2.122 2.012 2.259 0.259 1 0 "[ . 1 . 2 . 3]" 2
34 1 23 ARG O 1 27 LEU N 3.000 . 3.000 3.060 2.937 3.192 0.192 1 0 "[ . 1 . 2 . 3]" 2
35 1 24 GLN O 1 28 SER H 2.000 . 2.000 1.763 1.607 2.027 0.027 9 0 "[ . 1 . 2 . 3]" 2
36 1 24 GLN O 1 28 SER N 3.000 . 3.000 2.605 2.407 2.950 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 62 LYS O 1 66 ALA H 2.000 . 2.000 2.097 2.029 2.160 0.160 17 0 "[ . 1 . 2 . 3]" 2
38 1 62 LYS O 1 66 ALA N 3.000 . 3.000 3.034 2.959 3.103 0.103 23 0 "[ . 1 . 2 . 3]" 2
39 1 63 LYS O 1 67 LEU H 2.000 . 2.000 2.029 1.872 2.089 0.089 26 0 "[ . 1 . 2 . 3]" 2
40 1 63 LYS O 1 67 LEU N 3.000 . 3.000 2.982 2.845 3.061 0.061 26 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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