NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449666 |
2p6j   |
7401 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2p6j
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 867
_Distance_constraint_stats_list.Viol_count 2991
_Distance_constraint_stats_list.Viol_total 13966.388
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0484
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.1086
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.917 0.207 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 2 LYS 5.772 0.637 24 2 "[ . 1 . -2 +. 3 . 4 ]"
1 3 GLN 16.452 0.637 24 2 "[ . 1- . 2 +. 3 . 4 ]"
1 4 TRP 32.614 0.990 12 5 "[ . 1 + . * ** . * . 4 ]"
1 5 SER 2.706 0.990 12 2 "[ . 1 + . - . 3 . 4 ]"
1 6 GLU 13.191 0.828 28 4 "[ . 1 *-* 2 . + 3 . 4 ]"
1 7 ASN 7.290 0.859 21 4 "[ . - 1 . * 2+ . * . 4 ]"
1 8 VAL 15.670 0.873 12 1 "[ . 1 + . 2 . 3 . 4 ]"
1 9 GLU 3.772 0.713 23 3 "[ . 1 . 2 -+ . * . 4 ]"
1 10 GLU 1.893 0.163 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 LYS 3.043 0.545 39 1 "[ . 1 . 2 . 3 . +4 ]"
1 12 LEU 15.430 0.492 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 LYS 14.028 0.565 5 1 "[ + 1 . 2 . 3 . 4 ]"
1 14 GLU 5.634 0.501 12 1 "[ . 1 + . 2 . 3 . 4 ]"
1 15 PHE 18.985 0.371 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 VAL 2.302 0.142 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 LYS 16.133 0.518 33 1 "[ . 1 . 2 . 3 + . 4 ]"
1 18 ARG 7.668 0.518 33 1 "[ . 1 . 2 . 3 + . 4 ]"
1 19 HIS 2.040 0.323 38 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 GLN 21.700 0.603 4 6 "[ +. 1 *. *2 ** 3 -. 4 ]"
1 21 ARG 9.804 0.318 37 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 ILE 9.204 0.762 23 2 "[ . 1 -. 2 + . 3 . 4 ]"
1 23 THR 1.648 0.131 28 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 GLN 2.582 0.515 23 2 "[ . 1 . 2 + . 3 .- 4 ]"
1 25 GLU 0.103 0.012 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 GLU 0.605 0.197 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 LEU 12.626 0.714 41 2 "[ . 1 - . 2 . 3 . 4+ ]"
1 28 HIS 0.678 0.241 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 GLN 5.347 0.288 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 TYR 3.171 0.714 41 2 "[ . 1 - . 2 . 3 . 4+ ]"
1 31 ALA 2.647 0.218 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 GLN 17.120 0.913 16 13 "[ ** .* * 1* *+ 2 * ***3 *. -4 ]"
1 33 ARG 11.961 0.841 34 13 "[ ** .* * 1* ** 2 * ***3 +. -4 ]"
1 34 LEU 3.179 0.454 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 GLY 1.895 0.111 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 LEU 13.911 0.939 18 2 "[ . 1 - . + 2 . 3 . 4 ]"
1 37 ASN 10.857 0.833 12 1 "[ . 1 + . 2 . 3 . 4 ]"
1 38 GLU 8.712 0.627 15 2 "[ . 1 -+ 2 . 3 . 4 ]"
1 39 GLU 7.219 0.340 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 40 ALA 15.793 0.752 29 5 "[ -* 1 * . 2 . +3 . * ]"
1 41 ILE 11.258 0.939 18 4 "[ . 1 * -* + 2 . 3 . 4 ]"
1 42 ARG 5.860 0.636 42 4 "[ . 1* . - 2 * . 3 . 4 + ]"
1 43 GLN 22.141 0.752 29 5 "[ -* 1 * . 2 . +3 . * ]"
1 44 PHE 18.082 0.565 5 2 "[ + 1 - . 2 . 3 . 4 ]"
1 45 PHE 4.381 0.231 35 0 "[ . 1 . 2 . 3 . 4 ]"
1 46 GLU 0.480 0.110 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 47 GLU 10.273 0.420 42 0 "[ . 1 . 2 . 3 . 4 ]"
1 48 PHE 3.762 0.167 1 0 "[ . 1 . 2 . 3 . 4 ]"
1 49 GLU 9.572 0.588 34 1 "[ . 1 . 2 . 3 +. 4 ]"
1 50 GLN 7.483 0.588 34 1 "[ . 1 . 2 . 3 +. 4 ]"
1 51 ARG 17.563 0.946 37 8 "[ . 1 .* 2 * . 3* *-* + *4 ]"
1 52 LYS 3.127 0.439 37 0 "[ . 1 . 2 . 3 . 4 ]"
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 37 ASN HA 1 37 ASN HB2 2.500 . 3.100 2.513 2.255 2.626 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 1 28 HIS HB3 1 28 HIS HD2 4.000 . 6.000 3.656 2.870 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 1 4 TRP HA 1 4 TRP HB3 2.300 . 2.900 2.335 2.258 2.953 0.053 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 1 4 TRP HB3 1 36 LEU MD2 3.000 2.100 3.900 2.297 1.683 4.507 0.607 12 1 "[ . 1 + . 2 . 3 . 4 ]" 1
5 1 42 ARG HB2 1 42 ARG HD3 2.500 . 3.100 2.984 2.417 3.736 0.636 42 4 "[ . 1* . - 2 * . 3 . 4 + ]" 1
6 1 45 PHE HB2 1 45 PHE QD 3.000 2.100 3.900 2.370 2.252 2.709 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 45 PHE HA 1 45 PHE HB2 3.200 2.200 4.200 2.987 2.550 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 42 ARG QD 1 42 ARG QG 2.300 . 2.900 2.055 1.974 2.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 21 ARG HB3 1 21 ARG QD 2.800 . 3.600 2.678 2.250 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 1 21 ARG HB2 1 21 ARG HD2 2.800 . 3.600 3.190 2.346 3.797 0.197 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 1 21 ARG HD2 1 21 ARG HG3 2.200 . 2.700 2.629 2.339 3.018 0.318 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 1 37 ASN HA 1 37 ASN HB3 2.500 . 3.100 2.430 2.341 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 1 4 TRP HA 1 4 TRP HB2 2.700 . 3.400 2.667 2.524 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 4 TRP HB2 1 36 LEU MD2 3.600 . 6.000 2.374 1.368 3.911 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 33 ARG HA 1 33 ARG QD 4.000 2.400 5.600 3.443 2.235 4.291 0.165 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 51 ARG HD3 1 51 ARG HG2 2.200 . 2.700 2.487 2.331 2.934 0.234 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 1 15 PHE QB 1 15 PHE QD . 2.500 3.600 2.177 2.129 2.299 0.371 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 1 51 ARG HB3 1 51 ARG HD3 2.300 . 2.800 2.588 2.257 3.746 0.946 37 3 "[ . 1 .* 2 . 3 -. + 4 ]" 1
19 1 51 ARG HA 1 51 ARG QD 4.000 2.400 5.600 4.048 3.893 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 1 51 ARG HB2 1 51 ARG HD2 2.300 . 2.900 2.556 2.254 3.708 0.808 34 1 "[ . 1 . 2 . 3 +. 4 ]" 1
21 1 15 PHE HA 1 15 PHE QB . 2.200 2.600 2.407 2.344 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 18 ARG HA 1 18 ARG QD 4.000 2.400 5.600 4.160 3.839 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 1 18 ARG HD2 1 18 ARG QG 2.400 . 3.000 2.230 2.152 2.401 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 1 18 ARG HD3 1 18 ARG QG 2.600 . 3.300 2.372 2.179 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 1 17 LYS HG2 1 18 ARG QD 4.800 2.400 6.000 5.770 3.910 6.518 0.518 33 1 "[ . 1 . 2 . 3 + . 4 ]" 1
26 1 44 PHE QB 1 44 PHE QD 2.600 2.300 3.300 2.131 2.121 2.189 0.179 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 7 ASN QB 1 11 LYS QE 2.700 . 6.000 4.616 2.459 6.172 0.172 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 13 LYS QE 1 14 GLU QG 2.800 . 3.600 2.968 1.966 3.775 0.175 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 1 MET QG 1 2 LYS QE 2.900 . 6.000 4.875 2.713 5.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 2 LYS HD2 1 2 LYS QE 2.600 . 3.300 2.307 2.160 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 2 LYS HE2 1 2 LYS HG2 3.000 2.100 3.900 2.552 2.130 3.203 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 7 ASN HA 1 7 ASN HB3 2.600 . 3.300 2.614 2.346 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 1 7 ASN HA 1 7 ASN HB2 2.600 . 3.300 2.883 2.400 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 30 TYR HB3 1 30 TYR QD 3.200 2.200 4.200 2.285 2.270 2.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 48 PHE QB 1 48 PHE QD 3.000 2.100 3.400 2.134 2.117 2.167 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 48 PHE QB 1 50 GLN QG 4.000 . 6.000 3.939 2.567 5.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 43 GLN QG 1 47 GLU HB3 4.300 2.500 6.000 3.651 2.080 5.746 0.420 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 1 29 GLN HB2 1 29 GLN HG3 2.700 . 3.400 2.676 2.290 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 1 46 GLU HA 1 46 GLU HG3 2.900 2.100 3.700 3.300 2.172 3.748 0.048 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 1 46 GLU QB 1 46 GLU HG3 2.700 . 3.000 2.320 2.153 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 1 MET QB 1 1 MET HG2 2.300 . 2.800 1.966 1.906 2.068 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 1 47 GLU HB2 1 47 GLU HG3 2.400 . 3.000 2.416 2.298 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 1 26 GLU HB2 1 26 GLU QG 2.100 . 2.500 2.336 2.149 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 1 26 GLU HA 1 26 GLU QG 2.700 . 3.400 2.637 2.322 3.040 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 1 22 ILE HG13 1 26 GLU HB3 4.400 2.500 6.000 3.366 2.526 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 26 GLU HA 1 26 GLU HB3 2.800 . 3.600 2.754 2.380 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 1 49 GLU HA 1 49 GLU QG 3.900 2.400 5.400 3.285 2.267 3.374 0.133 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 43 GLN HA 1 43 GLN QB 2.700 . 3.400 2.384 2.239 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 9 GLU HA 1 9 GLU HB2 3.100 2.100 4.100 2.547 2.349 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 1 4 TRP HD1 1 9 GLU HB2 3.800 2.400 5.200 4.141 3.071 5.913 0.713 23 3 "[ . 1 . 2 -+ . * . 4 ]" 1
51 1 6 GLU HA 1 9 GLU QB 3.100 2.200 4.000 3.084 2.297 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 1 24 GLN QG 1 27 LEU HB3 2.900 2.100 3.700 3.461 3.086 3.820 0.120 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 1 3 GLN QB 1 3 GLN HG2 2.800 . 3.600 2.292 2.139 2.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 16 VAL HB 1 16 VAL MG1 2.500 . 3.100 2.130 2.123 2.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 1 8 VAL HA 1 8 VAL HB 2.800 . 3.600 3.020 2.993 3.051 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 4 TRP HB2 1 8 VAL HB 3.300 2.200 4.400 3.253 2.229 5.273 0.873 12 1 "[ . 1 + . 2 . 3 . 4 ]" 1
57 1 39 GLU HB3 1 40 ALA MB 5.700 2.400 6.000 3.716 3.463 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 1 MET HA 1 1 MET QB 3.700 2.400 5.000 2.359 2.193 2.443 0.207 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 42 ARG QG 1 46 GLU QB 3.000 2.100 3.900 3.012 1.990 3.816 0.110 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 47 GLU HB2 1 47 GLU HG2 2.600 . 3.300 2.991 2.402 3.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 38 GLU HA 1 38 GLU QB 2.300 . 2.800 2.378 2.165 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 32 GLN QB 1 32 GLN HG2 2.000 . 2.400 2.315 2.136 2.478 0.078 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 39 GLU HB2 1 40 ALA MB 5.300 2.400 6.000 5.093 4.899 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 42 ARG QB 1 42 ARG QG . . 2.200 2.074 2.032 2.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 42 ARG QB 1 42 ARG QD 2.500 . 3.100 2.185 1.892 2.416 0.008 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 1 24 GLN QB 1 27 LEU HB2 4.800 2.500 6.000 4.639 4.193 5.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 1 24 GLN HA 1 24 GLN HB2 2.300 . 2.800 2.495 2.418 2.988 0.188 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 1 24 GLN QB 1 24 GLN QG 1.700 . 2.200 2.078 2.008 2.088 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 1 13 LYS HA 1 13 LYS HB3 2.900 2.100 3.700 3.003 2.633 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 1 13 LYS HB3 1 13 LYS HD3 2.300 . 2.800 2.234 2.058 2.434 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 1 11 LYS HA 1 11 LYS QB 2.400 . 3.000 2.380 2.312 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 8 VAL HA 1 11 LYS QB 2.700 . 3.400 2.843 1.955 3.429 0.045 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 1 11 LYS QB 1 11 LYS HG2 2.500 . 3.100 2.297 2.148 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 1 26 GLU HA 1 26 GLU HB2 2.900 2.100 3.700 2.761 2.421 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 1 21 ARG HB3 1 21 ARG QG 2.100 . 2.600 2.325 2.147 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 17 LYS HA 1 17 LYS QB 2.100 . 2.600 2.323 2.126 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 13 LYS HB2 1 13 LYS HD3 2.300 . 2.800 2.158 2.103 2.240 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 11 LYS QB 1 34 LEU MD1 4.100 2.400 5.800 3.246 2.401 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 1 25 GLU HB2 1 25 GLU HG2 2.300 . 6.000 2.783 2.384 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 1 25 GLU HA 1 25 GLU HB2 2.400 . 3.000 2.474 2.414 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 1 25 GLU HB2 1 25 GLU HG3 2.400 . 3.000 2.630 2.265 3.012 0.012 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 1 22 ILE HB 1 22 ILE HG13 2.600 . 3.300 2.507 2.286 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 1 22 ILE HB 1 22 ILE MG 2.500 . 3.100 2.123 2.107 2.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 1 22 ILE HB 1 27 LEU HB2 4.000 2.400 5.600 5.061 4.137 5.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 1 22 ILE HB 1 22 ILE HG12 4.200 2.400 6.000 2.985 2.397 3.032 0.003 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 1 22 ILE HB 1 22 ILE MD 2.900 2.100 3.700 2.419 2.256 3.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 1 27 LEU HA 1 27 LEU HB3 3.700 2.300 5.100 3.016 2.997 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 1 27 LEU HB3 1 27 LEU MD1 2.600 . 3.300 2.525 2.275 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 1 33 ARG HB3 1 33 ARG HD3 3.500 2.300 4.700 3.346 2.344 4.224 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 1 51 ARG HB3 1 51 ARG QG 2.100 . 2.500 2.314 2.207 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 1 38 GLU HA 1 41 ILE HB 2.500 . 3.100 2.289 1.852 3.019 0.048 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 1 41 ILE HB 1 41 ILE MG 2.100 . 2.600 2.130 2.123 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 1 41 ILE HA 1 41 ILE HB 3.400 2.300 4.500 3.023 3.013 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 41 ILE HB 1 41 ILE MD 2.400 . 3.000 2.480 2.368 3.205 0.205 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 42 ARG HB2 1 42 ARG QG 2.000 . 2.400 2.313 2.143 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 52 LYS HB3 1 52 LYS QG 2.500 2.100 3.100 2.331 2.151 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 33 ARG HA 1 33 ARG HG3 3.600 2.300 4.900 2.822 2.440 3.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 33 ARG HD2 1 33 ARG HG3 2.800 . 3.600 2.649 2.321 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 3 GLN QB 1 3 GLN QG 2.200 . 2.700 2.035 1.975 2.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 51 ARG HB2 1 51 ARG QG 1.900 . 2.300 2.347 2.262 2.458 0.158 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 13 LYS HB2 1 13 LYS QD 2.000 . 6.000 2.684 2.383 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 21 ARG HB2 1 21 ARG HG3 2.300 . 2.800 2.500 2.309 3.013 0.213 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 13 LYS HA 1 13 LYS QG 3.300 2.200 3.300 2.610 2.375 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 13 LYS HB3 1 13 LYS QG 2.800 . 3.400 2.412 2.319 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 1 13 LYS HB2 1 13 LYS QG 2.300 2.100 2.800 2.255 2.129 2.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 17 LYS HA 1 17 LYS QD 3.000 2.100 3.900 2.590 2.018 4.194 0.294 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 17 LYS HD3 1 17 LYS HE2 2.500 . 3.100 2.675 2.319 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 17 LYS HD2 1 17 LYS HG2 2.200 . 2.700 2.726 2.381 3.027 0.327 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 52 LYS HB2 1 52 LYS QG 2.600 . 3.300 2.336 2.150 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 27 LEU HA 1 27 LEU HB2 2.800 . 3.600 2.527 2.389 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 22 ILE HG13 1 27 LEU HB2 3.900 2.400 5.400 4.585 2.116 5.448 0.284 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 1 11 LYS HE2 1 11 LYS HG3 4.300 2.400 6.000 3.204 2.368 4.244 0.032 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 1 52 LYS HA 1 52 LYS QD 4.500 2.500 6.000 4.017 2.325 4.583 0.175 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 1 52 LYS QD 1 52 LYS QE 2.700 . 3.400 2.042 1.984 2.093 0.016 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 52 LYS QD 1 52 LYS QG 2.100 . 2.500 2.043 1.996 2.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 18 ARG HB3 1 18 ARG HD3 3.200 2.200 4.200 2.831 2.377 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 18 ARG HA 1 18 ARG HB3 2.700 . 3.400 2.512 2.340 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 1 27 LEU MD2 1 27 LEU HG 3.100 2.200 4.000 2.132 2.124 2.140 0.076 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 1 51 ARG HD2 1 51 ARG HG3 2.200 . 2.700 2.453 2.223 2.963 0.263 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 1 51 ARG HA 1 51 ARG QG 3.300 2.200 4.400 2.535 2.190 3.292 0.010 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 1 2 LYS QD 1 2 LYS QG 2.300 . 2.800 2.053 1.997 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 1 21 ARG HA 1 21 ARG HG2 3.100 2.200 4.000 2.814 2.328 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 1 21 ARG HD2 1 21 ARG HG2 2.900 . 3.800 2.133 2.015 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 1 18 ARG HA 1 18 ARG QG 3.700 2.300 5.100 2.475 2.274 3.351 0.026 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 1 18 ARG HA 1 18 ARG HB2 3.100 2.100 4.100 2.958 2.409 3.025 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 22 ILE HG13 1 22 ILE MG 3.500 2.300 4.700 3.145 2.266 3.210 0.034 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 2 LYS HB3 1 2 LYS QG 2.000 . 2.400 2.307 2.150 2.456 0.056 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 1 34 LEU HB3 1 34 LEU MD2 2.700 . 3.400 2.430 2.339 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 34 LEU HB3 1 34 LEU HG 2.500 . 3.100 3.015 3.005 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 34 LEU HB3 1 34 LEU MD1 2.700 . 3.400 2.328 2.255 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 1 11 LYS HE2 1 11 LYS HG2 4.400 2.500 6.000 3.587 2.469 4.225 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 1 22 ILE HG13 1 26 GLU HB3 4.800 2.500 6.000 3.153 2.328 3.819 0.172 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 1 36 LEU HA 1 36 LEU HG 6.000 2.200 6.000 3.161 2.462 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 36 LEU HB2 1 36 LEU HG 4.500 2.500 6.000 2.439 2.336 2.608 0.164 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 17 LYS QE 1 17 LYS HG2 4.400 2.500 6.000 2.926 2.392 3.562 0.108 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 17 LYS HA 1 17 LYS HG2 3.800 2.400 5.200 3.422 2.711 4.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 36 LEU HB3 1 36 LEU MD2 2.700 . 3.500 2.401 2.196 2.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 1 36 LEU HB3 1 36 LEU MD1 2.600 . 3.300 2.329 2.200 2.567 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 1 12 LEU HB3 1 12 LEU HG 2.800 . 3.600 2.498 2.448 2.615 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 12 LEU HB3 1 12 LEU MD2 3.300 2.200 4.400 2.444 2.206 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 2 LYS HB2 1 2 LYS QG 2.100 . 2.600 2.338 2.144 2.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 1 13 LYS QE 1 13 LYS QG 3.800 2.500 5.200 2.396 2.151 2.840 0.349 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 23 THR HB 1 23 THR MG 2.200 . 2.700 2.134 2.129 2.138 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 23 THR HA 1 23 THR MG 2.500 . 3.100 2.263 2.132 2.382 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 36 LEU HB2 1 40 ALA MB 4.100 2.400 5.800 4.468 2.410 5.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 36 LEU HB2 1 36 LEU MD1 2.900 . 3.800 2.380 2.234 2.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 22 ILE HG12 1 22 ILE MG 2.600 . 3.300 2.404 2.230 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 22 ILE MD 1 22 ILE HG12 2.700 . 3.400 2.116 2.104 2.124 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 12 LEU HB2 1 12 LEU HG 2.500 . 3.100 2.909 2.315 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 12 LEU MD1 1 12 LEU HG 2.800 . 3.600 2.125 2.104 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 2 LYS HA 1 2 LYS QG 3.300 2.200 4.400 2.776 2.251 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 2 LYS HB3 1 2 LYS QG 2.100 . 2.600 1.963 1.902 2.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 16 VAL MG2 1 44 PHE QE 3.500 2.300 4.700 3.110 2.251 4.664 0.049 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 16 VAL HB 1 16 VAL MG2 2.200 . 2.700 2.129 2.124 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 1 12 LEU MD1 1 16 VAL MG2 4.500 2.500 6.000 2.722 2.406 3.795 0.094 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 1 12 LEU HB2 1 12 LEU MD1 2.800 . 3.600 2.465 2.201 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 1 12 LEU HB2 1 12 LEU MD2 3.500 2.300 4.700 2.422 2.328 2.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 1 27 LEU HA 1 27 LEU MD2 2.700 . 6.000 2.724 1.869 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 1 27 LEU HB3 1 27 LEU MD2 2.900 . 3.800 2.662 2.180 3.199 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 1 27 LEU HB2 1 27 LEU MD2 2.400 . 3.000 2.050 1.969 2.108 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 27 LEU MD2 1 41 ILE MD 3.200 . 6.000 4.756 2.081 6.056 0.056 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 1 15 PHE QR 1 27 LEU MD1 4.300 2.400 6.000 4.514 2.402 5.741 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 27 LEU HA 1 27 LEU MD1 3.300 2.200 4.400 3.164 2.061 3.703 0.139 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 16 VAL MG2 1 27 LEU MD1 3.200 2.200 4.200 2.973 2.134 4.251 0.066 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 12 LEU MD1 1 27 LEU MD1 3.600 2.300 4.900 2.634 2.211 3.711 0.089 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 27 LEU MD1 1 41 ILE MD 3.500 . 6.000 4.871 3.250 6.051 0.051 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 8 VAL HA 1 8 VAL MG1 2.600 . 3.300 2.388 2.229 2.639 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 1 4 TRP HB3 1 8 VAL MG1 4.500 2.500 6.000 4.368 2.950 5.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 4 TRP HB2 1 8 VAL MG1 3.500 2.200 4.800 3.764 2.882 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 8 VAL HB 1 8 VAL MG1 2.300 . 2.800 2.121 2.109 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 8 VAL MG1 1 8 VAL MG2 2.200 . 6.000 2.080 2.060 2.096 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 1 8 VAL MG1 1 34 LEU MD1 2.400 . 3.000 2.065 1.772 3.042 0.042 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 1 8 VAL MG1 1 12 LEU MD1 2.900 2.100 3.700 3.303 2.056 3.968 0.268 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 1 36 LEU HA 1 36 LEU MD2 2.400 . 3.000 2.021 1.801 3.117 0.117 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 1 36 LEU MD2 1 40 ALA MB 3.100 2.100 4.100 2.620 1.980 4.236 0.136 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 1 36 LEU HB3 1 36 LEU MD2 2.300 . 2.800 1.990 1.913 2.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 1 12 LEU MD1 1 36 LEU MD2 2.800 . 6.000 4.618 3.516 5.719 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 1 12 LEU MD2 1 36 LEU MD2 3.800 . 6.000 3.613 2.180 4.780 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 11 LYS QB 1 34 LEU MD2 3.700 2.400 5.000 4.484 3.582 5.055 0.055 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 33 ARG HG2 1 34 LEU MD2 3.200 2.200 4.200 3.440 2.581 4.654 0.454 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 1 34 LEU HB2 1 34 LEU MD2 3.200 2.200 4.200 3.198 3.187 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 1 34 LEU MD2 1 34 LEU HG 2.500 . 3.100 2.128 2.123 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 1 12 LEU MD2 1 36 LEU MD1 2.900 2.100 3.700 2.247 2.037 3.095 0.063 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 1 30 TYR QE 1 34 LEU MD1 3.600 2.300 4.900 2.516 2.248 2.852 0.052 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 1 8 VAL HA 1 34 LEU MD1 3.400 2.300 4.500 2.901 2.456 3.247 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 1 11 LYS HB3 1 34 LEU MD1 3.200 2.200 4.200 3.399 2.544 4.368 0.168 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 1 34 LEU HB2 1 34 LEU MD1 2.600 . 3.300 2.370 2.302 2.426 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 12 LEU MD1 1 30 TYR QD 3.400 . 6.000 2.574 1.782 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 12 LEU MD1 1 30 TYR QE 3.700 . 6.000 3.127 2.021 5.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 12 LEU HB3 1 12 LEU MD1 3.700 2.400 5.000 3.044 2.215 3.204 0.185 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 12 LEU MD1 1 27 LEU MD2 4.100 2.400 5.800 2.710 2.263 4.215 0.137 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 12 LEU MD1 1 36 LEU MD1 2.800 . 3.600 2.891 2.079 3.712 0.112 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 34 LEU HB2 1 34 LEU HG 2.300 . 2.800 2.425 2.379 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 8 VAL MG1 1 12 LEU MD2 3.000 2.100 3.900 2.720 1.928 3.544 0.172 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 12 LEU MD1 1 12 LEU MD2 2.600 . 3.300 2.080 2.053 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 31 ALA MB 1 37 ASN HA 6.000 . 6.000 5.074 2.497 5.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 37 ASN HA 1 41 ILE MD 5.600 2.400 6.000 3.707 2.354 4.606 0.046 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 36 LEU HA 1 40 ALA MB 4.900 2.500 6.000 3.736 3.046 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 37 ASN HB2 1 40 ALA MB 4.500 2.500 6.000 5.144 4.431 6.124 0.124 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 8 VAL MG2 1 40 ALA MB 6.000 . 6.000 5.675 4.190 6.125 0.125 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 1 36 LEU MD1 1 40 ALA MB 3.300 2.200 4.400 3.279 2.058 4.153 0.142 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 1 4 TRP HH2 1 40 ALA MB 4.000 . 6.000 4.923 3.191 6.171 0.171 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 1 4 TRP HE3 1 40 ALA MB 3.800 2.400 5.200 3.791 2.390 4.912 0.010 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 1 31 ALA MB 1 41 ILE HG13 3.600 2.300 4.900 3.474 2.663 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 1 31 ALA MB 1 34 LEU MD1 4.700 2.500 6.000 4.925 3.599 5.702 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 1 12 LEU MD1 1 31 ALA MB 3.400 . 6.000 3.951 2.961 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 1 12 LEU MD2 1 31 ALA MB 4.500 . 6.000 4.043 3.131 4.895 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 1 41 ILE HG13 1 41 ILE MG 3.700 2.300 5.100 3.173 2.469 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 1 31 ALA MB 1 41 ILE MG 4.200 2.400 6.000 3.276 2.635 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 1 12 LEU MD1 1 41 ILE MG 3.200 . 6.000 4.999 4.123 5.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 1 12 LEU MD2 1 41 ILE MG 4.400 . 6.000 4.559 3.564 6.072 0.072 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 1 22 ILE MG 1 45 PHE QE 6.000 . 6.000 4.618 2.530 6.083 0.083 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 15 PHE QR 1 22 ILE MG 4.100 2.400 5.800 2.913 2.375 4.128 0.025 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 22 ILE MG 1 27 LEU HA 6.000 2.400 6.000 3.382 2.719 4.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 22 ILE MG 1 26 GLU HB3 5.300 2.500 6.000 4.529 3.471 5.561 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 22 ILE MG 1 27 LEU HB2 3.600 2.300 4.900 2.457 2.152 4.222 0.148 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 15 PHE QE 1 22 ILE MD 3.000 2.100 3.900 2.154 1.995 3.205 0.105 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 22 ILE MD 1 26 GLU HB3 4.000 . 6.000 2.255 1.509 4.139 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 1 22 ILE MD 1 27 LEU HB2 3.900 2.400 5.400 3.184 2.327 4.571 0.073 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 1 22 ILE MD 1 22 ILE HG13 2.700 . 3.400 2.118 2.092 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 1 16 VAL MG2 1 22 ILE MD 4.600 2.500 6.000 4.299 2.450 5.572 0.050 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 1 28 HIS HA 1 41 ILE MD 3.000 2.100 3.900 3.062 1.983 3.804 0.117 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 1 38 GLU QG 1 41 ILE MD 3.900 2.400 5.400 2.778 2.361 5.514 0.114 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 1 31 ALA MB 1 41 ILE MD 2.400 . 3.000 2.132 1.768 2.311 0.032 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 41 ILE HB 1 41 ILE MD 2.900 . 3.800 2.000 1.976 2.071 0.024 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 41 ILE MD 1 41 ILE HG13 2.400 . 3.000 2.119 2.095 2.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 1 36 LEU HG 1 41 ILE MD 3.700 2.300 5.100 4.988 3.913 5.183 0.083 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 1 36 LEU HB3 1 41 ILE MD 3.700 2.300 5.100 3.279 2.262 6.039 0.939 18 1 "[ . 1 . + 2 . 3 . 4 ]" 1
229 1 10 GLU QG 1 18 ARG QD 4.100 2.400 5.800 5.693 5.174 5.963 0.163 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 1 42 ARG HA 1 42 ARG QD 5.600 2.500 6.000 4.076 3.945 4.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 1 36 LEU HA 1 36 LEU HB3 3.300 2.200 4.400 2.473 2.255 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 36 LEU HA 1 36 LEU HB2 3.800 2.300 5.300 2.994 2.723 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 36 LEU HB3 1 41 ILE HG13 3.900 2.300 5.500 3.021 2.543 5.700 0.200 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 36 LEU HB2 1 41 ILE HG13 5.400 2.500 6.000 3.814 3.181 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 1 8 VAL MG1 1 34 LEU HB3 4.500 2.500 6.000 2.897 2.480 4.177 0.020 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 1 11 LYS QE 1 34 LEU MD2 4.300 2.500 6.000 4.425 2.479 5.898 0.021 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 22 ILE MD 1 27 LEU HB2 5.600 2.500 6.000 3.310 2.616 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 12 LEU HB3 1 44 PHE QE 4.900 2.500 6.000 3.409 2.415 4.859 0.085 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 1 12 LEU HB2 1 44 PHE QE 6.000 . 6.000 4.673 2.674 6.084 0.084 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 1 8 VAL MG1 1 12 LEU HB3 5.800 2.400 6.000 3.563 2.625 5.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 8 VAL MG1 1 12 LEU HB2 4.800 2.500 6.000 2.558 2.280 3.978 0.220 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 9 GLU HB2 1 12 LEU HB3 5.900 2.400 6.000 4.720 3.740 5.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 19 HIS HB3 1 22 ILE HB 5.100 2.500 6.000 5.300 3.644 5.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 48 PHE QB 1 51 ARG QD 3.500 . 6.000 4.613 2.680 5.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 15 PHE QB 1 30 TYR QE . 2.300 4.700 3.126 2.506 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 12 LEU HA 1 15 PHE QB 3.300 2.200 3.300 2.556 2.179 3.270 0.021 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 42 ARG HA 1 45 PHE HB3 4.800 2.500 6.000 4.610 3.001 5.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 41 ILE MG 1 44 PHE QB 6.000 2.200 6.000 4.321 3.734 5.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 44 PHE HA 1 44 PHE QB . 2.400 3.000 2.458 2.377 2.529 0.023 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 5 SER QB 1 7 ASN HB2 5.400 2.500 6.000 4.028 3.006 5.632 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 15 PHE QR 1 30 TYR HB3 5.500 2.500 6.000 3.803 2.888 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 1 4 TRP HD1 1 39 GLU QG 6.000 2.500 6.000 6.038 5.341 6.340 0.340 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 1 14 GLU HG2 1 44 PHE HZ 4.800 2.500 6.000 6.042 5.463 6.501 0.501 12 1 "[ . 1 + . 2 . 3 . 4 ]" 1
254 1 3 GLN HA 1 3 GLN QG 3.300 2.200 4.400 2.751 2.259 3.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 1 24 GLN HA 1 24 GLN QG 3.000 2.100 3.900 2.430 2.239 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 1 24 GLN QG 1 27 LEU MD2 6.000 2.200 6.000 4.225 2.395 5.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 1 43 GLN QB 1 43 GLN QG 2.600 2.100 3.300 2.059 1.988 2.090 0.112 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 1 52 LYS HA 1 52 LYS HB2 4.700 2.500 6.000 2.803 2.465 3.033 0.035 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 1 2 LYS HA 1 2 LYS HB3 5.100 2.500 6.000 2.526 2.329 3.023 0.171 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 1 50 GLN HB2 1 50 GLN QG 2.700 . 3.400 2.296 2.154 2.530 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 50 GLN HB3 1 50 GLN QG 2.300 . 2.800 2.330 2.124 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 49 GLU QG 1 50 GLN HG2 2.200 . 2.700 2.514 1.657 3.288 0.588 34 1 "[ . 1 . 2 . 3 +. 4 ]" 1
263 1 8 VAL MG1 1 11 LYS QB 4.900 2.500 6.000 3.884 2.980 4.920 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 1 16 VAL HB 1 48 PHE QE 6.000 . 6.000 4.726 2.710 6.057 0.057 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 1 4 TRP HD1 1 8 VAL HB 6.000 . 6.000 5.435 2.366 6.159 0.159 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 1 18 ARG HB2 1 18 ARG QD 3.400 2.200 4.600 2.429 2.233 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 1 3 GLN QB 1 4 TRP HB3 5.900 2.400 6.000 4.318 3.779 5.642 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 1 4 TRP HB3 1 36 LEU MD1 6.000 2.400 6.000 4.107 2.952 5.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 1 22 ILE HG12 1 26 GLU HB3 5.600 2.400 6.000 3.273 2.330 4.775 0.070 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 1 49 GLU HB2 1 49 GLU QG 3.800 2.400 5.200 2.351 2.251 2.399 0.149 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 1 3 GLN QB 1 4 TRP HE3 5.400 2.400 6.000 4.419 2.014 5.824 0.386 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 1 11 LYS QB 1 11 LYS QD 3.500 2.300 4.700 2.336 2.147 2.857 0.153 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 38 GLU HA 1 41 ILE HG13 5.700 2.400 6.000 2.642 1.773 3.705 0.627 15 2 "[ . 1 -+ 2 . 3 . 4 ]" 1
274 1 13 LYS QD 1 13 LYS QE 2.900 2.100 3.700 2.056 1.987 2.098 0.113 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 46 GLU HA 1 46 GLU QB 2.700 . 3.400 2.288 2.153 2.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 32 GLN HA 1 32 GLN QB 2.400 . 3.000 2.361 2.169 2.494 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 40 ALA HA 1 43 GLN QB . 2.500 2.800 2.345 1.748 2.896 0.752 29 5 "[ -* 1 * . 2 . +3 . * ]" 1
278 1 22 ILE HG12 1 26 GLU HB3 5.300 2.500 6.000 3.200 2.303 4.701 0.197 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 13 LYS QG 1 44 PHE QE 4.900 2.500 6.000 3.229 1.935 4.226 0.565 5 1 "[ + 1 . 2 . 3 . 4 ]" 1
280 1 13 LYS QG 1 14 GLU QG 6.000 2.300 6.000 3.613 2.083 4.629 0.217 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 34 LEU MD1 1 34 LEU HG 2.100 . 2.600 2.124 2.115 2.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 1 30 TYR QD 1 34 LEU MD1 6.000 . 6.000 3.228 2.802 3.556 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 1 17 LYS QE 1 17 LYS HG3 4.800 2.500 6.000 2.768 2.366 3.497 0.134 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 1 17 LYS QB 1 17 LYS HG2 2.600 . 3.300 2.286 2.133 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 17 LYS QB 1 17 LYS HG3 2.800 . 3.600 2.271 2.144 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 1 11 LYS HB2 1 11 LYS HG3 2.600 . 3.300 2.538 2.270 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 1 36 LEU HB3 1 36 LEU MD1 2.400 . 3.000 1.969 1.925 2.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 1 8 VAL MG2 1 36 LEU MD1 6.000 . 6.000 3.876 2.832 5.099 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 27 LEU MD1 1 45 PHE QE 5.800 2.500 6.000 2.755 2.416 4.496 0.084 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 1 27 LEU MD1 1 44 PHE QE 5.900 2.400 6.000 5.284 3.351 6.093 0.093 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 24 GLN HA 1 27 LEU MD1 5.800 2.400 6.000 3.551 2.593 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 1 24 GLN QB 1 27 LEU MD1 5.700 2.500 6.000 4.789 3.848 6.000 . 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
293 1 12 LEU MD2 1 27 LEU MD1 4.800 2.500 6.000 3.315 2.471 5.388 0.029 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 1 52 LYS HA 1 52 LYS QG . 2.500 4.900 2.894 2.337 3.526 0.163 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 12 LEU MD2 1 27 LEU MD2 5.000 2.500 6.000 3.269 2.447 4.680 0.053 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 1 12 LEU MD2 1 34 LEU MD1 5.700 2.400 6.000 4.016 2.309 5.384 0.091 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 12 LEU MD2 1 44 PHE QD 5.900 2.400 6.000 3.471 2.359 6.035 0.041 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 1 27 LEU MD2 1 30 TYR HB2 6.000 . 6.000 4.911 3.442 6.714 0.714 41 2 "[ . 1 - . 2 . 3 . 4+ ]" 1
299 1 24 GLN QB 1 27 LEU MD2 5.800 2.400 6.000 5.104 3.486 6.092 0.092 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 1 15 PHE QR 1 27 LEU MD2 3.700 . 6.000 4.261 2.012 6.084 0.084 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 27 LEU MD2 1 45 PHE QD 6.000 . 6.000 4.751 2.732 6.058 0.058 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 1 27 LEU MD2 1 45 PHE QE 5.200 2.500 6.000 3.179 2.444 4.562 0.056 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 1 12 LEU MD1 1 15 PHE QD 5.900 2.500 6.000 3.171 2.450 4.515 0.050 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 1 12 LEU MD1 1 44 PHE QD 5.100 . 6.000 4.600 3.375 5.343 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 8 VAL MG2 1 34 LEU MD1 3.600 2.300 4.900 2.431 2.209 3.220 0.091 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 1 8 VAL MG2 1 34 LEU HB2 5.400 2.500 6.000 2.782 2.462 3.241 0.038 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 1 8 VAL HB 1 8 VAL MG2 2.400 . 3.000 2.128 2.120 2.136 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 1 8 VAL HA 1 8 VAL MG2 2.600 . 3.300 2.365 2.221 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 1 4 TRP HB3 1 8 VAL MG2 6.000 . 6.000 5.175 3.871 5.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 1 16 VAL MG2 1 45 PHE HZ 5.600 2.500 6.000 4.423 2.475 6.036 0.036 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 1 15 PHE QD 1 16 VAL MG2 4.100 2.400 5.800 3.722 2.907 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 1 13 LYS HA 1 16 VAL MG2 3.300 2.200 4.400 3.791 3.038 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 1 12 LEU MD2 1 16 VAL MG2 4.800 2.500 6.000 3.638 2.824 4.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 1 4 TRP HE3 1 8 VAL MG1 6.000 2.200 6.000 5.019 2.151 6.161 0.161 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 1 4 TRP HD1 1 8 VAL MG1 6.000 . 6.000 5.325 2.238 6.142 0.142 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 1 12 LEU MD1 1 16 VAL MG1 5.800 . 6.000 4.852 4.266 5.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 16 VAL MG1 1 48 PHE QD 5.200 2.500 6.000 4.923 3.156 5.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 1 16 VAL MG1 1 44 PHE QE 6.000 . 6.000 3.622 2.018 5.651 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 1 15 PHE QR 1 16 VAL MG1 6.000 . 6.000 5.458 4.826 6.107 0.107 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 1 23 THR MG 1 26 GLU HB3 5.900 2.400 6.000 4.711 3.723 6.040 0.040 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 22 ILE HA 1 23 THR HB 6.000 2.500 6.000 5.717 5.482 5.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 1 8 VAL HA 1 34 LEU HG 6.000 . 6.000 5.854 5.123 6.090 0.090 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 8 VAL HA 1 11 LYS QD 3.700 2.300 5.100 4.270 2.759 5.164 0.064 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 1 8 VAL HA 1 11 LYS HB2 2.900 . 6.000 3.810 1.964 4.903 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 1 16 VAL HA 1 22 ILE MD 4.300 2.400 6.000 5.171 2.869 5.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 1 16 VAL HA 1 22 ILE MG 4.100 2.400 5.800 2.797 2.258 3.544 0.142 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 1 16 VAL HA 1 16 VAL MG2 2.600 . 3.300 2.377 2.325 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 1 16 VAL HA 1 16 VAL HB 2.900 2.100 3.700 3.025 3.015 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 1 16 VAL HA 1 16 VAL MG1 2.600 . 3.300 2.410 2.288 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 1 16 VAL HA 1 19 HIS HB2 5.100 2.500 6.000 4.295 3.380 5.887 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 1 15 PHE QR 1 16 VAL HA 4.200 2.400 6.000 4.586 3.763 5.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 1 41 ILE HA 1 44 PHE QB 3.300 2.500 4.400 3.397 2.788 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 1 41 ILE HA 1 41 ILE HB 3.400 2.200 4.600 2.429 2.368 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 1 41 ILE HA 1 41 ILE HG13 3.400 2.200 4.600 3.111 2.931 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 40 ALA MB 1 41 ILE HA 6.000 . 6.000 3.822 3.635 3.967 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 1 41 ILE HA 1 41 ILE MG 2.400 . 3.000 2.378 2.293 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 41 ILE HA 1 41 ILE MD 3.500 2.300 4.700 3.760 2.218 3.884 0.082 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 1 9 GLU HA 1 9 GLU QB 2.200 . 2.700 2.213 2.064 2.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 9 GLU HA 1 12 LEU HB3 3.300 2.200 4.400 3.444 2.510 4.612 0.212 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 1 9 GLU HA 1 12 LEU HG 5.900 2.500 6.000 5.387 3.892 6.100 0.100 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 1 9 GLU HA 1 12 LEU HB2 4.100 2.400 5.800 3.879 2.756 5.272 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 1 8 VAL MG1 1 9 GLU HA 4.400 2.500 6.000 3.476 2.933 3.927 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 9 GLU HA 1 12 LEU MD2 3.700 2.300 5.100 3.941 2.936 5.181 0.081 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 1 9 GLU HA 1 44 PHE QE 4.800 2.500 6.000 3.810 2.404 5.565 0.096 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 31 ALA HA 1 34 LEU HB3 3.900 2.400 5.400 5.083 4.320 5.457 0.057 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 1 31 ALA HA 1 31 ALA MB 2.200 . 2.700 2.133 2.126 2.142 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 1 31 ALA HA 1 34 LEU MD1 3.400 . 6.000 3.837 2.318 4.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 1 12 LEU MD1 1 31 ALA HA 3.800 2.300 5.300 4.044 2.880 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 1 31 ALA HA 1 36 LEU MD1 2.900 . 3.800 2.114 1.903 2.593 0.097 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 1 5 SER HA 1 5 SER QB 2.400 . 2.700 2.343 2.281 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 5 SER QB 1 35 GLY HA2 6.000 . 6.000 5.427 4.785 5.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 1 5 SER QB 1 7 ASN HA 6.000 . 6.000 5.475 4.938 5.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 15 PHE HA 1 15 PHE QD 2.700 . 3.400 2.214 1.899 2.668 0.101 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 1 15 PHE HA 1 19 HIS HD2 4.400 2.500 6.000 4.159 2.476 4.907 0.024 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 44 PHE HA 1 48 PHE QD 3.000 2.100 3.900 3.566 2.049 4.024 0.124 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 1 30 TYR HA 1 33 ARG QD 5.000 2.500 6.000 3.960 2.551 5.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 30 TYR HA 1 30 TYR HB3 2.500 . 3.100 3.019 2.972 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 1 30 TYR HA 1 30 TYR HB2 2.800 . 3.600 2.538 2.436 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 1 30 TYR HA 1 33 ARG HB3 2.600 . 3.300 2.499 2.025 2.955 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 1 45 PHE HA 1 48 PHE QB 3.100 2.100 4.100 2.954 2.194 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 1 45 PHE HA 1 45 PHE QD 2.700 . 3.400 2.542 1.954 3.116 0.046 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 1 45 PHE HA 1 48 PHE QE 4.700 2.500 6.000 5.643 4.112 6.145 0.145 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 44 PHE QD 1 45 PHE HA 6.000 2.300 6.000 4.335 3.074 5.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 1 45 PHE HA 1 45 PHE HB3 2.300 . 2.800 2.585 2.490 3.005 0.205 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 22 ILE HA 1 26 GLU HB3 4.900 2.500 6.000 4.910 3.546 5.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 1 22 ILE HA 1 22 ILE HB 2.400 . 3.000 2.474 2.282 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 21 ARG HB2 1 22 ILE HA 5.100 2.500 6.000 5.072 4.292 6.214 0.214 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 1 22 ILE HA 1 22 ILE HG13 2.400 . 3.000 2.518 2.272 3.762 0.762 23 2 "[ . 1 -. 2 + . 3 . 4 ]" 1
369 1 22 ILE HA 1 23 THR MG 5.200 2.500 6.000 3.915 3.521 4.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 1 22 ILE HA 1 22 ILE MG 2.800 . 3.600 3.194 2.553 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 1 22 ILE HA 1 22 ILE MD 3.800 2.400 5.200 3.667 2.243 4.138 0.157 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 1 22 ILE HA 1 22 ILE HG12 3.400 2.200 4.600 3.124 2.515 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 1 13 LYS HA 1 44 PHE QE 3.800 2.300 5.300 2.238 2.096 2.472 0.204 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 1 13 LYS HA 1 13 LYS HB2 2.400 . 3.000 2.400 2.260 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 1 13 LYS HA 1 13 LYS HD3 2.700 . 3.400 2.594 2.366 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 1 13 LYS HA 1 16 VAL MG1 3.700 2.300 5.100 4.617 4.077 5.123 0.023 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 1 23 THR HA 1 23 THR HB 2.200 . 2.700 2.568 2.428 2.831 0.131 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 1 22 ILE HG13 1 23 THR HA 5.300 2.500 6.000 5.130 4.081 5.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 1 23 THR HA 1 24 GLN HA 3.100 . 6.000 4.249 4.149 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 1 23 THR HA 1 24 GLN QG 6.000 . 6.000 5.705 3.722 5.969 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 1 41 ILE MG 1 42 ARG HA 3.800 2.300 5.300 3.512 3.100 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 1 42 ARG HA 1 42 ARG HB2 2.200 . 2.700 2.535 2.309 3.024 0.324 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 42 ARG HA 1 42 ARG QG 2.900 2.100 3.400 2.485 2.299 2.760 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 1 38 GLU HA 1 38 GLU HB3 2.200 . 2.700 2.544 2.347 3.017 0.317 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 1 38 GLU HA 1 41 ILE HB 2.400 . 3.000 2.253 1.850 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
386 1 31 ALA MB 1 38 GLU HA 3.700 2.300 5.100 5.051 4.525 5.318 0.218 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
387 1 38 GLU HA 1 41 ILE MG 3.700 2.400 5.000 3.633 3.355 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
388 1 38 GLU HA 1 41 ILE MD 2.600 . 3.300 2.084 1.862 3.434 0.134 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
389 1 42 ARG HA 1 45 PHE QD 3.900 . 6.000 3.309 2.271 5.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
390 1 38 GLU HA 1 38 GLU QG 2.700 . 3.400 2.439 2.279 3.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
391 1 25 GLU HA 1 25 GLU HB3 2.600 . 3.300 3.021 3.005 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
392 1 28 HIS HA 1 28 HIS HD2 3.400 2.200 4.600 3.895 3.391 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
393 1 28 HIS HA 1 31 ALA MB 2.600 . 3.300 2.326 2.058 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
394 1 28 HIS HA 1 41 ILE MG 3.000 2.100 3.900 3.531 2.806 4.141 0.241 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
395 1 48 PHE HA 1 51 ARG QD 5.300 2.500 6.000 5.173 2.436 6.083 0.083 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
396 1 48 PHE HA 1 48 PHE QB 2.700 . 3.000 2.439 2.353 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
397 1 24 GLN HA 1 27 LEU HB3 2.400 . 3.000 2.224 1.858 2.679 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
398 1 24 GLN HA 1 24 GLN HG3 2.500 . 3.100 2.635 2.268 3.615 0.515 23 2 "[ . 1 . 2 + . 3 .- 4 ]" 1
399 1 24 GLN HA 1 27 LEU HB2 3.000 2.100 3.900 2.803 2.396 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
400 1 39 GLU HA 1 39 GLU HB2 2.000 . 2.400 2.400 2.243 2.471 0.071 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
401 1 11 LYS HA 1 11 LYS HG3 2.500 . 3.100 2.540 2.107 3.645 0.545 39 1 "[ . 1 . 2 . 3 . +4 ]" 1
402 1 11 LYS HA 1 11 LYS HG2 2.700 . 3.400 3.118 2.337 3.711 0.311 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
403 1 32 GLN HA 1 35 GLY HA2 3.000 2.100 3.900 3.916 3.511 4.011 0.111 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
404 1 6 GLU HA 1 6 GLU HG2 2.700 . 3.400 3.243 2.408 3.829 0.429 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
405 1 6 GLU HA 1 9 GLU HB3 2.500 . 6.000 3.540 2.483 5.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
406 1 6 GLU HA 1 6 GLU HB2 2.100 . 2.600 2.492 2.327 2.965 0.365 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
407 1 16 VAL MG1 1 17 LYS HA 3.500 2.200 4.800 3.260 2.893 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
408 1 33 ARG HA 1 33 ARG HD2 4.300 2.400 6.000 3.995 2.261 4.859 0.139 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
409 1 27 LEU HA 1 27 LEU HB2 2.200 . 2.700 2.367 2.190 2.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
410 1 15 PHE QR 1 27 LEU HA 3.100 2.100 4.100 3.855 2.319 4.203 0.103 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
411 1 27 LEU HA 1 30 TYR HB3 3.000 2.100 3.900 2.744 2.257 3.266 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
412 1 22 ILE MD 1 27 LEU HA 3.200 2.200 4.200 2.685 2.116 4.198 0.084 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
413 1 47 GLU HA 1 47 GLU HG3 2.500 . 3.100 2.776 2.360 3.506 0.406 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
414 1 47 GLU HA 1 47 GLU HG2 2.500 . 3.100 2.742 2.212 3.147 0.047 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
415 1 47 GLU HA 1 47 GLU HB3 2.200 . 2.700 2.803 2.440 3.029 0.329 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
416 1 27 LEU HA 1 30 TYR QD 3.800 . 6.000 3.962 3.439 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
417 1 12 LEU HA 1 12 LEU HG 2.800 . 3.600 3.090 2.631 3.695 0.095 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
418 1 12 LEU HA 1 12 LEU MD1 2.300 . 2.800 2.077 1.898 2.879 0.079 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
419 1 12 LEU HA 1 34 LEU MD1 4.400 2.500 6.000 4.229 3.122 5.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
420 1 12 LEU HA 1 12 LEU MD2 3.600 2.300 4.900 3.589 2.090 3.948 0.210 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
421 1 12 LEU HA 1 30 TYR QE 3.200 2.200 4.200 3.264 2.204 4.052 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
422 1 12 LEU HA 1 12 LEU HB3 2.800 . 3.600 2.975 2.670 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
423 1 12 LEU HA 1 12 LEU HB2 2.500 . 3.100 2.573 2.421 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
424 1 20 GLN HA 1 20 GLN HG2 2.800 . 3.600 3.038 2.356 4.196 0.596 4 1 "[ +. 1 . 2 . 3 . 4 ]" 1
425 1 20 GLN HA 1 20 GLN HB3 2.500 . 3.100 2.526 2.341 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
426 1 20 GLN HA 1 20 GLN HB2 2.900 2.100 3.700 2.856 2.316 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
427 1 52 LYS HA 1 52 LYS HB3 3.000 2.100 3.900 2.444 2.310 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
428 1 49 GLU HA 1 49 GLU HG2 2.900 . 3.800 3.712 2.584 3.886 0.086 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
429 1 49 GLU HA 1 49 GLU HB2 2.600 . 3.300 2.459 2.343 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
430 1 49 GLU HA 1 49 GLU HB3 2.700 . 3.400 2.478 2.365 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
431 1 18 ARG HA 1 18 ARG HB3 2.400 . 3.000 2.198 2.140 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
432 1 2 LYS HA 1 2 LYS HG3 2.900 2.100 3.700 3.218 2.277 4.243 0.543 24 2 "[ . 1 . -2 +. 3 . 4 ]" 1
433 1 51 ARG HA 1 51 ARG HB3 2.500 . 3.100 2.580 2.328 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
434 1 51 ARG HA 1 51 ARG HB2 2.900 . 3.800 2.857 2.349 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
435 1 51 ARG HA 1 51 ARG HG2 2.600 . 3.300 2.806 2.342 3.790 0.490 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
436 1 18 ARG HA 1 18 ARG HD3 3.800 2.400 5.200 4.615 4.282 5.531 0.331 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
437 1 2 LYS HA 1 2 LYS HB2 2.900 2.100 3.700 2.795 2.351 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
438 1 51 ARG HA 1 51 ARG HD3 4.200 2.400 6.000 4.505 4.184 5.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
439 1 50 GLN HA 1 50 GLN HB2 2.900 2.100 3.700 2.924 2.437 3.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
440 1 50 GLN HA 1 50 GLN QG 2.700 . 3.400 2.784 2.352 3.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
441 1 3 GLN HA 1 3 GLN HG3 2.800 . 3.600 3.254 2.337 4.237 0.637 11 1 "[ . 1+ . 2 . 3 . 4 ]" 1
442 1 3 GLN HA 1 3 GLN QB 2.900 2.100 3.700 2.366 2.156 2.512 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
443 1 7 ASN HA 1 10 GLU QG 4.400 2.400 6.000 4.888 3.841 5.320 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
444 1 7 ASN HA 1 10 GLU HB3 2.600 . 3.300 3.160 1.950 3.411 0.111 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
445 1 21 ARG HA 1 21 ARG HD3 4.000 2.400 5.600 4.396 2.359 4.913 0.041 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
446 1 21 ARG HA 1 21 ARG HB3 2.400 . 3.000 2.689 2.408 3.033 0.033 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
447 1 21 ARG HA 1 21 ARG HB2 2.700 . 3.400 2.847 2.419 3.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
448 1 21 ARG HA 1 21 ARG QG 2.500 . 3.100 2.423 2.255 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
449 1 19 HIS HA 1 19 HIS HB3 2.400 . 3.000 2.657 2.540 3.018 0.018 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
450 1 19 HIS HA 1 19 HIS HB2 2.800 . 3.600 2.952 2.546 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
451 1 34 LEU HA 1 34 LEU HB3 2.400 . 3.000 2.490 2.450 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
452 1 40 ALA HA 1 40 ALA MB 2.000 . 2.400 2.127 2.120 2.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
453 1 34 LEU HA 1 34 LEU HG 2.900 . 3.800 3.138 3.002 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
454 1 34 LEU HA 1 34 LEU MD1 4.000 2.400 5.600 3.801 3.736 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
455 1 34 LEU HA 1 34 LEU HB2 2.500 . 3.100 3.010 2.996 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
456 1 34 LEU HA 1 34 LEU MD2 2.100 . 2.500 1.938 1.806 2.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
457 1 1 MET HA 1 1 MET HB3 2.700 . 3.400 2.785 2.399 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
458 1 36 LEU HA 1 36 LEU MD1 3.800 2.300 5.300 3.802 3.578 4.150 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
459 1 13 LYS HA 1 16 VAL HB 3.000 2.100 3.900 3.287 2.690 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
460 1 15 PHE QR 1 19 HIS HE1 3.700 2.300 5.100 3.617 2.883 4.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
461 1 4 TRP HB3 1 4 TRP HE3 3.100 2.200 4.000 3.544 2.350 4.249 0.249 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
462 1 4 TRP HB2 1 4 TRP HE3 4.000 2.400 5.600 3.234 2.609 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
463 1 4 TRP HE3 1 40 ALA MB 5.200 2.500 6.000 3.972 2.392 5.472 0.108 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
464 1 4 TRP HE3 1 36 LEU MD2 4.800 2.500 6.000 4.076 2.308 5.370 0.192 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
465 1 41 ILE MG 1 45 PHE QD 4.500 2.400 6.000 3.180 2.371 4.670 0.029 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
466 1 41 ILE MG 1 45 PHE QE 3.900 2.400 5.400 2.952 2.344 5.470 0.070 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
467 1 48 PHE HA 1 48 PHE QD 3.400 2.200 4.600 2.508 2.129 3.062 0.071 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
468 1 15 PHE QD 1 30 TYR QD 2.500 . 3.100 3.088 2.840 3.160 0.060 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
469 1 30 TYR HA 1 30 TYR QD 2.400 . 3.000 2.359 1.978 2.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
470 1 30 TYR HB2 1 30 TYR QD 2.600 . 3.300 2.632 2.518 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
471 1 12 LEU MD2 1 30 TYR QD 3.200 . 6.000 4.303 2.101 5.439 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
472 1 30 TYR QE 1 34 LEU HG 6.000 2.400 6.000 3.897 3.351 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
473 1 12 LEU MD2 1 30 TYR QE 3.200 . 6.000 4.797 2.176 6.047 0.047 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
474 1 30 TYR QE 1 34 LEU MD2 3.100 2.100 4.100 3.410 2.704 4.105 0.005 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
475 1 4 TRP HD1 1 36 LEU MD2 5.800 2.400 6.000 3.978 2.490 5.898 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
476 1 4 TRP HB3 1 4 TRP HD1 3.700 2.400 5.000 3.081 2.501 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
477 1 4 TRP HB2 1 4 TRP HD1 3.200 2.200 4.200 3.379 2.618 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
478 1 28 HIS HD2 1 41 ILE MD 3.700 2.300 5.100 3.326 2.321 5.104 0.004 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
479 1 28 HIS HD2 1 41 ILE MG 3.000 2.100 3.900 3.204 2.076 3.982 0.082 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
480 1 19 HIS HB3 1 19 HIS HD2 3.500 2.300 4.700 3.040 2.652 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
481 1 27 LEU MD1 1 45 PHE QD 5.600 2.400 6.000 4.280 3.130 6.086 0.086 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
482 1 15 PHE QD 1 22 ILE MG 6.000 . 6.000 3.223 2.398 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
483 1 4 TRP HD1 1 9 GLU HA 5.300 2.500 6.000 4.886 3.186 5.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
484 1 15 PHE QB 1 19 HIS HD2 5.200 2.500 6.000 5.591 4.089 6.073 0.073 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
485 1 19 HIS HA 1 19 HIS HD2 5.400 2.500 6.000 3.590 3.199 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
486 1 15 PHE QR 1 30 TYR QE 2.800 . 3.600 3.078 2.638 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
487 1 23 THR HB 1 24 GLN H 2.300 . 2.800 2.563 2.095 2.883 0.083 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
488 1 23 THR HA 1 24 GLN H 2.100 . 2.600 2.367 2.251 2.618 0.018 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
489 1 24 GLN H 1 24 GLN HA 2.800 . 3.600 2.812 2.772 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
490 1 24 GLN H 1 24 GLN HG3 3.800 2.400 5.200 4.361 2.340 4.548 0.060 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
491 1 24 GLN H 1 24 GLN HB2 2.200 . 2.700 2.475 2.205 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
492 1 23 THR MG 1 24 GLN H 6.000 2.200 6.000 3.434 2.430 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
493 1 6 GLU H 1 7 ASN H 2.800 . 3.600 2.990 2.543 3.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
494 1 5 SER HA 1 6 GLU H 2.400 . 3.000 2.156 2.083 2.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
495 1 6 GLU H 1 6 GLU HA 2.400 . 3.000 2.712 2.627 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
496 1 5 SER QB 1 6 GLU H 6.000 . 6.000 3.492 2.892 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
497 1 6 GLU H 1 6 GLU HG2 3.700 2.300 5.100 4.298 2.211 4.641 0.089 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
498 1 6 GLU H 1 6 GLU HB2 2.300 . 2.800 2.506 2.212 3.628 0.828 28 4 "[ . 1 *-* 2 . + 3 . 4 ]" 1
499 1 24 GLN H 1 25 GLU H 2.800 . 3.600 2.682 2.502 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
500 1 25 GLU H 1 27 LEU H 5.600 2.500 6.000 3.841 3.659 4.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
501 1 25 GLU H 1 26 GLU H 2.800 . 3.600 2.884 2.589 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
502 1 23 THR HB 1 25 GLU H 2.700 . 3.400 2.809 2.353 3.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
503 1 23 THR HA 1 25 GLU H 6.000 2.400 6.000 4.331 3.917 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
504 1 25 GLU H 1 25 GLU HA 2.800 . 3.600 2.793 2.729 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
505 1 24 GLN HA 1 25 GLU H 4.400 2.500 6.000 3.512 3.415 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
506 1 25 GLU H 1 25 GLU HB3 2.300 . 2.900 2.571 2.418 2.839 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
507 1 25 GLU H 1 25 GLU HB2 2.400 . 3.000 2.464 2.249 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
508 1 37 ASN HA 1 38 GLU H 2.400 . 3.000 2.436 2.221 3.174 0.174 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
509 1 38 GLU H 1 38 GLU HA 3.200 2.200 4.200 2.793 2.696 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
510 1 37 ASN HB3 1 38 GLU H 3.800 . 6.000 3.710 1.659 4.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
511 1 38 GLU H 1 38 GLU QG 3.200 2.200 4.200 2.506 2.021 3.952 0.179 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
512 1 38 GLU H 1 38 GLU HB2 2.400 . 3.000 2.505 2.262 3.588 0.588 14 1 "[ . 1 +. 2 . 3 . 4 ]" 1
513 1 27 LEU H 1 28 HIS H 2.400 . 3.000 2.725 2.584 2.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
514 1 28 HIS H 1 28 HIS HA 2.600 . 3.300 2.833 2.804 2.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
515 1 28 HIS H 1 28 HIS HB2 2.300 . 2.800 2.403 2.133 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
516 1 27 LEU HB3 1 28 HIS H 2.800 . 3.600 2.546 2.304 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
517 1 27 LEU HB2 1 28 HIS H 6.000 . 6.000 3.755 3.506 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
518 1 45 PHE H 1 46 GLU H 2.400 . 3.000 2.530 2.203 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
519 1 45 PHE H 1 45 PHE QD 2.900 . 3.800 2.987 2.258 4.031 0.231 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
520 1 44 PHE QD 1 45 PHE H 5.000 2.500 6.000 4.316 3.346 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
521 1 45 PHE H 1 45 PHE HB3 3.300 2.200 4.400 3.556 2.689 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
522 1 45 PHE H 1 45 PHE HB2 2.200 . 2.700 2.354 2.148 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
523 1 44 PHE QB 1 45 PHE H 2.400 . 3.000 2.787 2.413 2.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
524 1 7 ASN H 1 8 VAL H 2.700 . 3.400 2.599 2.415 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
525 1 7 ASN H 1 7 ASN HA 2.600 . 3.300 2.828 2.757 2.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
526 1 5 SER HA 1 7 ASN H 6.000 2.400 6.000 4.115 3.657 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
527 1 7 ASN H 1 7 ASN QB 2.400 . 3.000 2.360 2.132 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
528 1 6 GLU QB 1 7 ASN H 2.700 . 3.400 2.622 2.306 3.496 0.096 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
529 1 21 ARG H 1 22 ILE H 4.700 2.500 6.000 4.118 2.828 4.631 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
530 1 21 ARG H 1 21 ARG HA 2.700 . 3.400 2.342 2.242 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
531 1 20 GLN HA 1 21 ARG H 2.700 . 3.400 3.093 2.776 3.551 0.151 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
532 1 20 GLN HB2 1 21 ARG H 5.000 2.500 6.000 3.904 2.291 4.533 0.209 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
533 1 21 ARG H 1 21 ARG HB3 5.100 2.500 6.000 3.920 3.330 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
534 1 21 ARG H 1 21 ARG HB2 3.000 2.100 3.900 3.414 2.638 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
535 1 20 GLN HB3 1 21 ARG H 6.000 2.200 6.000 4.200 2.196 4.636 0.004 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
536 1 38 GLU H 1 39 GLU H 2.700 . 3.400 2.726 2.517 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
537 1 39 GLU H 1 40 ALA H 2.300 . 2.800 2.854 2.719 2.940 0.140 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
538 1 39 GLU H 1 39 GLU HA 2.600 . 3.300 2.765 2.725 2.810 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
539 1 38 GLU HA 1 39 GLU H 4.800 2.500 6.000 3.467 3.369 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
540 1 44 PHE H 1 45 PHE H 2.600 . 3.300 2.540 2.311 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
541 1 41 ILE HA 1 44 PHE H 4.400 2.500 6.000 3.838 3.446 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
542 1 44 PHE H 1 44 PHE QB 2.800 . 3.300 2.197 2.056 2.333 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
543 1 43 GLN QB 1 44 PHE H 2.900 2.100 3.700 2.649 2.353 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
544 1 19 HIS HA 1 20 GLN H 2.500 . 3.100 2.823 2.241 3.423 0.323 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
545 1 20 GLN H 1 20 GLN HA 2.900 . 3.800 2.619 2.223 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
546 1 20 GLN H 1 20 GLN HG2 3.200 2.200 4.200 3.406 2.000 4.728 0.528 34 1 "[ . 1 . 2 . 3 +. 4 ]" 1
547 1 20 GLN H 1 20 GLN HB3 3.800 2.300 5.300 3.521 2.288 4.129 0.012 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
548 1 20 GLN H 1 20 GLN HB2 2.700 . 3.400 3.049 2.282 4.003 0.603 4 5 "[ +. 1 *. *2 -* 3 . 4 ]" 1
549 1 37 ASN H 1 37 ASN HA 2.700 . 3.400 2.907 2.848 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
550 1 36 LEU HA 1 37 ASN H 2.000 . 2.400 2.204 2.049 2.497 0.097 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
551 1 36 LEU HB3 1 37 ASN H 2.500 . 3.100 2.856 1.894 3.318 0.218 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
552 1 37 ASN H 1 37 ASN HD22 4.900 2.500 6.000 3.198 2.824 5.862 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
553 1 37 ASN H 1 37 ASN HB3 3.100 2.200 4.000 3.050 2.242 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
554 1 36 LEU MD2 1 37 ASN H 5.300 2.500 6.000 3.355 2.298 4.633 0.202 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
555 1 5 SER H 1 6 GLU H 5.400 2.500 6.000 4.442 4.265 4.622 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
556 1 4 TRP HA 1 5 SER H 2.200 . 2.700 2.521 2.213 2.938 0.238 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
557 1 5 SER H 1 5 SER HA 2.600 . 3.300 2.821 2.479 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
558 1 5 SER H 1 5 SER QB . 2.200 3.000 2.458 2.225 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
559 1 4 TRP HB3 1 5 SER H 3.400 2.200 4.600 3.365 2.388 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
560 1 4 TRP HB2 1 5 SER H 2.500 . 3.100 2.425 1.866 4.090 0.990 12 2 "[ . 1 + . - . 3 . 4 ]" 1
561 1 5 SER H 1 8 VAL HB 3.000 2.100 3.900 3.277 2.446 3.933 0.033 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
562 1 5 SER H 1 8 VAL MG2 4.100 2.400 5.800 3.318 2.650 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
563 1 5 SER H 1 8 VAL H 6.000 2.300 6.000 4.518 3.938 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
564 1 22 ILE HB 1 23 THR H 5.400 2.400 6.000 4.003 2.388 4.262 0.012 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
565 1 22 ILE HG13 1 23 THR H 5.500 2.500 6.000 2.618 2.442 3.839 0.058 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
566 1 23 THR H 1 23 THR HA 3.900 2.400 5.400 2.862 2.793 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
567 1 22 ILE HA 1 23 THR H 2.300 . 2.800 2.261 2.146 2.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
568 1 23 THR H 1 23 THR MG 3.200 2.200 4.200 2.616 2.174 3.359 0.026 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
569 1 23 THR H 1 26 GLU HB3 3.500 2.300 4.700 3.870 2.283 4.721 0.021 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
570 1 22 ILE HG12 1 23 THR H 5.600 2.500 6.000 2.634 2.441 4.091 0.059 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
571 1 31 ALA H 1 33 ARG H 4.800 2.500 6.000 3.749 3.351 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
572 1 30 TYR QD 1 31 ALA H 6.000 2.200 6.000 4.380 3.939 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
573 1 31 ALA H 1 31 ALA HA 2.800 . 3.600 2.834 2.745 2.893 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
574 1 30 TYR HB3 1 31 ALA H 3.500 2.300 4.700 2.943 2.525 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
575 1 30 TYR HB2 1 31 ALA H 3.100 2.100 4.100 3.942 3.567 4.149 0.049 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
576 1 13 LYS H 1 14 GLU H 2.500 . 3.100 2.746 2.580 2.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
577 1 13 LYS H 1 13 LYS HA 2.600 . 3.300 2.779 2.741 2.811 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
578 1 13 LYS H 1 13 LYS HB3 2.300 . 2.900 2.401 2.052 2.635 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
579 1 13 LYS H 1 13 LYS HB2 2.800 . 3.600 2.619 2.407 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
580 1 13 LYS H 1 13 LYS HD3 2.900 . 6.000 3.755 2.658 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
581 1 12 LEU HB3 1 13 LYS H 2.400 . 3.000 2.590 2.236 3.383 0.383 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
582 1 13 LYS H 1 14 GLU HB2 6.000 2.100 6.000 4.981 4.728 5.215 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
583 1 12 LEU HB2 1 13 LYS H 4.000 2.400 5.600 3.603 2.754 3.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
584 1 7 ASN H 1 9 GLU H 5.800 2.400 6.000 4.312 3.985 4.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
585 1 9 GLU H 1 10 GLU H 2.700 . 3.400 2.811 2.685 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
586 1 9 GLU H 1 9 GLU QB 2.100 . 2.500 2.238 2.095 2.541 0.041 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
587 1 8 VAL HB 1 9 GLU H 2.700 . 3.400 2.596 2.286 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
588 1 8 VAL MG2 1 9 GLU H 5.200 2.500 6.000 3.802 3.483 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
589 1 8 VAL H 1 9 GLU H 2.400 . 3.000 2.503 2.152 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
590 1 4 TRP HD1 1 9 GLU H 4.500 2.400 6.000 5.204 2.677 6.120 0.120 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
591 1 7 ASN HA 1 9 GLU H 5.700 2.400 6.000 4.481 4.117 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
592 1 9 GLU H 1 9 GLU HA 2.800 . 3.600 2.761 2.680 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
593 1 8 VAL HA 1 9 GLU H 3.700 2.400 5.000 3.529 3.489 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
594 1 9 GLU HA 1 12 LEU H 4.200 2.400 6.000 3.964 3.568 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
595 1 12 LEU H 1 12 LEU MD1 6.000 2.100 6.000 4.016 3.501 4.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
596 1 12 LEU H 1 12 LEU HB3 2.400 . 3.000 2.738 2.423 3.492 0.492 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
597 1 12 LEU H 1 12 LEU HB2 2.800 . 3.600 2.398 2.054 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
598 1 24 GLN HA 1 27 LEU H 4.800 2.500 6.000 3.399 3.161 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
599 1 26 GLU HB3 1 27 LEU H 3.100 2.100 4.100 3.140 2.536 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
600 1 27 LEU H 1 27 LEU HB3 2.500 . 3.100 2.630 2.386 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
601 1 27 LEU H 1 27 LEU HB2 2.300 . 2.800 2.359 2.200 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
602 1 15 PHE HA 1 16 VAL H 5.500 2.500 6.000 3.477 3.418 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
603 1 15 PHE H 1 16 VAL H 2.500 . 3.100 2.498 2.213 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
604 1 16 VAL H 1 17 LYS H 2.700 . 3.400 2.497 2.249 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
605 1 15 PHE QD 1 16 VAL H 6.000 2.400 6.000 4.434 3.918 4.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
606 1 13 LYS HA 1 16 VAL H 3.800 2.300 5.300 3.717 3.322 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
607 1 16 VAL H 1 16 VAL HA 2.700 . 3.400 2.903 2.805 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
608 1 15 PHE QB 1 16 VAL H 2.900 2.100 3.700 2.878 2.430 3.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
609 1 16 VAL H 1 16 VAL HB 2.300 . 2.800 2.530 2.459 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
610 1 16 VAL H 1 16 VAL MG2 2.400 . 6.000 2.356 1.890 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
611 1 16 VAL H 1 16 VAL MG1 3.600 2.300 4.900 3.798 3.758 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
612 1 44 PHE H 1 46 GLU H 4.300 2.500 6.000 4.314 3.941 4.712 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
613 1 46 GLU H 1 47 GLU H 2.500 . 3.100 2.578 2.277 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
614 1 45 PHE HA 1 46 GLU H 3.900 2.400 5.400 3.559 3.477 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
615 1 46 GLU H 1 46 GLU HA 2.400 . 3.000 2.855 2.803 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
616 1 45 PHE HB3 1 46 GLU H 3.700 2.300 5.100 3.269 2.356 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
617 1 45 PHE HB2 1 46 GLU H 3.100 2.200 4.000 2.612 2.174 3.782 0.026 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
618 1 46 GLU H 1 46 GLU HG3 3.600 2.300 4.900 3.364 2.341 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
619 1 46 GLU H 1 46 GLU HG2 3.500 2.300 4.700 3.160 2.237 4.609 0.063 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
620 1 46 GLU H 1 46 GLU QB 2.300 . 2.800 2.349 2.159 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
621 1 28 HIS H 1 29 GLN H 2.700 . 3.400 2.625 2.473 2.783 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
622 1 29 GLN H 1 30 TYR H 2.400 . 3.000 2.606 2.494 2.738 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
623 1 28 HIS HB3 1 29 GLN H 2.600 . 3.300 2.711 2.515 3.365 0.065 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
624 1 29 GLN H 1 29 GLN HG3 3.400 2.200 4.600 4.124 2.081 4.628 0.119 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
625 1 10 GLU H 1 10 GLU QB 2.700 . 3.400 2.180 2.077 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
626 1 10 GLU H 1 11 LYS H 2.500 . 3.100 2.806 2.516 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
627 1 7 ASN HA 1 10 GLU H 4.600 2.500 6.000 3.747 3.174 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
628 1 9 GLU HA 1 10 GLU H 3.700 2.400 5.000 3.526 3.498 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
629 1 9 GLU QB 1 10 GLU H 2.200 . 2.700 2.410 2.189 2.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
630 1 43 GLN H 1 44 PHE H 2.500 . 3.100 2.732 2.533 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
631 1 42 ARG QB 1 43 GLN H 2.300 . 2.800 2.657 2.379 2.877 0.077 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
632 1 43 GLN H 1 45 PHE H 6.000 2.300 6.000 4.205 3.981 4.470 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
633 1 43 GLN H 1 47 GLU H 4.800 2.500 6.000 5.482 4.435 6.081 0.081 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
634 1 43 GLN H 1 43 GLN HA 2.500 . 3.100 2.791 2.730 2.848 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
635 1 43 GLN H 1 43 GLN QG 3.700 2.300 5.100 3.842 2.252 4.065 0.048 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
636 1 38 GLU HA 1 41 ILE H 5.600 2.500 6.000 3.144 2.853 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
637 1 41 ILE H 1 41 ILE MD 3.200 . 6.000 3.551 3.305 3.686 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
638 1 41 ILE H 1 41 ILE HA 3.400 2.200 4.600 2.812 2.768 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
639 1 41 ILE H 1 41 ILE HB 2.400 . 3.000 2.460 1.889 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
640 1 41 ILE H 1 41 ILE HG13 2.800 . 3.600 2.084 1.939 3.419 0.061 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
641 1 37 ASN H 1 40 ALA H 5.800 2.400 6.000 3.815 3.108 4.321 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
642 1 40 ALA H 1 40 ALA HA 2.700 . 3.400 2.852 2.778 2.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
643 1 39 GLU HA 1 40 ALA H 4.100 2.500 5.700 3.538 3.515 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
644 1 39 GLU QG 1 40 ALA H 5.900 2.500 6.000 3.106 2.472 3.617 0.028 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
645 1 39 GLU HB3 1 40 ALA H 3.000 2.100 3.900 2.343 2.146 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
646 1 39 GLU HB2 1 40 ALA H 3.900 2.400 5.400 3.751 3.598 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
647 1 40 ALA H 1 40 ALA MB 2.100 . 2.600 2.243 2.172 2.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
648 1 42 ARG H 1 42 ARG QB 2.200 . 2.700 2.254 2.093 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
649 1 41 ILE HB 1 42 ARG H 2.400 . 3.000 2.422 2.156 2.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
650 1 41 ILE MG 1 42 ARG H 5.600 2.500 6.000 3.371 3.101 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
651 1 41 ILE MD 1 42 ARG H 5.300 2.500 6.000 4.443 4.309 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
652 1 2 LYS HA 1 3 GLN H 2.400 . 3.000 2.334 2.075 3.403 0.403 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
653 1 3 GLN H 1 3 GLN QB 3.100 2.500 4.000 2.703 2.373 3.404 0.127 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
654 1 2 LYS HB2 1 3 GLN H 5.500 2.500 6.000 3.854 1.863 4.535 0.637 24 1 "[ . 1 . 2 +. 3 . 4 ]" 1
655 1 3 GLN H 1 4 TRP H 3.600 2.300 4.900 2.434 2.062 4.416 0.238 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
656 1 3 GLN H 1 3 GLN HA 3.500 2.300 4.700 2.917 2.741 2.960 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
657 1 3 GLN H 1 3 GLN QG 4.700 2.500 6.000 3.226 2.402 4.453 0.098 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
658 1 47 GLU H 1 48 PHE H 2.400 . 3.000 2.776 2.246 3.082 0.082 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
659 1 48 PHE H 1 48 PHE HA 2.600 . 3.300 2.840 2.706 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
660 1 48 PHE H 1 48 PHE QB 2.500 . 2.800 2.208 2.044 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
661 1 47 GLU HG3 1 48 PHE H 5.200 2.500 6.000 5.053 4.583 5.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
662 1 13 LYS HA 1 14 GLU H 3.800 2.300 5.300 3.522 3.448 3.545 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
663 1 14 GLU H 1 14 GLU QG 2.700 . 3.400 2.114 1.961 2.425 0.039 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
664 1 14 GLU H 1 14 GLU QB 2.300 . 2.800 2.476 2.359 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
665 1 49 GLU H 1 50 GLN H 2.300 . 2.800 2.308 1.730 3.041 0.241 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
666 1 48 PHE QD 1 49 GLU H 4.700 2.500 6.000 3.153 2.417 4.154 0.083 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
667 1 48 PHE QB 1 49 GLU H 2.500 . 3.100 2.399 1.833 3.116 0.167 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
668 1 49 GLU H 1 49 GLU QG 2.700 . 3.400 2.426 1.899 3.852 0.452 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
669 1 31 ALA H 1 32 GLN H 2.600 . 3.300 2.658 2.398 3.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
670 1 32 GLN H 1 33 ARG H 2.200 . 2.700 2.504 2.347 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
671 1 31 ALA HA 1 32 GLN H 5.800 2.500 6.000 3.547 3.507 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
672 1 32 GLN H 1 32 GLN HG3 3.400 2.200 4.600 3.319 2.167 4.536 0.033 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
673 1 32 GLN H 1 32 GLN HG2 5.700 2.400 6.000 3.481 2.131 4.614 0.269 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
674 1 32 GLN H 1 32 GLN HB2 2.100 . 2.600 2.526 2.163 3.513 0.913 16 2 "[ - . 1 .+ 2 . 3 . 4 ]" 1
675 1 31 ALA MB 1 32 GLN H 2.600 . 3.300 2.352 2.159 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
676 1 14 GLU QB 1 15 PHE H 2.900 2.100 3.700 2.683 2.261 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
677 1 15 PHE H 1 17 LYS H 5.500 2.500 6.000 4.291 3.643 4.951 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
678 1 15 PHE H 1 15 PHE HA 2.700 . 3.400 2.856 2.790 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
679 1 13 LYS HA 1 15 PHE H 5.800 2.500 6.000 4.406 3.819 4.880 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
680 1 15 PHE H 1 15 PHE QB 2.000 . 2.400 2.216 2.048 2.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
681 1 50 GLN H 1 51 ARG H 2.400 . 3.000 2.503 2.047 3.128 0.128 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
682 1 50 GLN HE21 1 51 ARG H 5.200 2.500 6.000 5.420 3.999 6.155 0.155 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
683 1 50 GLN HA 1 51 ARG H 2.400 . 6.000 3.168 2.748 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
684 1 50 GLN HB3 1 51 ARG H 5.200 2.500 6.000 4.289 3.597 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
685 1 50 GLN HB2 1 51 ARG H 4.400 2.400 6.000 3.688 2.354 4.505 0.046 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
686 1 51 ARG H 1 51 ARG HB3 3.500 2.300 4.700 3.372 2.361 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
687 1 51 ARG H 1 51 ARG HB2 2.400 . 3.000 2.696 2.210 3.924 0.924 31 6 "[ . 1 . 2 - . 3+ *** *4 ]" 1
688 1 51 ARG H 1 51 ARG QG 2.800 . 3.600 2.786 1.789 3.917 0.317 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
689 1 29 GLN HB2 1 30 TYR H 4.000 2.400 5.600 3.572 2.486 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
690 1 22 ILE H 1 22 ILE HG12 6.000 2.400 6.000 4.585 3.850 5.132 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
691 1 22 ILE H 1 22 ILE MG 4.000 2.400 5.600 2.630 2.241 3.871 0.159 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
692 1 52 LYS H 1 52 LYS HA 3.100 2.200 4.000 2.729 2.252 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
693 1 51 ARG HA 1 52 LYS H 2.300 . 2.800 2.299 2.098 3.081 0.281 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
694 1 52 LYS H 1 52 LYS QG 3.200 2.200 4.200 2.770 1.761 4.013 0.439 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
695 1 50 GLN H 1 50 GLN HA 2.500 . 3.100 2.878 2.273 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
696 1 49 GLU HA 1 50 GLN H 2.400 . 6.000 3.344 2.631 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
697 1 50 GLN H 1 50 GLN QG 2.800 . 3.600 2.375 1.877 3.284 0.123 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
698 1 50 GLN H 1 50 GLN HB3 3.400 2.300 4.500 3.513 2.891 3.721 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
699 1 33 ARG H 1 34 LEU H 2.500 . 3.100 2.587 2.333 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
700 1 32 GLN HB2 1 33 ARG H 2.600 . 3.300 3.328 2.701 4.141 0.841 34 13 "[ ** .* * 1* ** 2 * ***3 +. -4 ]" 1
701 1 33 ARG H 1 33 ARG HB2 2.100 . 2.600 2.542 2.283 2.756 0.156 43 0 "[ . 1 . 2 . 3 . 4 ]" 1
702 1 33 ARG H 1 33 ARG HG2 5.900 2.500 6.000 4.493 4.263 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
703 1 29 GLN HE21 1 33 ARG H 4.600 2.500 6.000 5.093 3.213 6.288 0.288 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
704 1 46 GLU QB 1 47 GLU H 2.800 . 3.600 2.928 2.152 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
705 1 47 GLU H 1 47 GLU QB 2.200 . 2.700 2.386 2.077 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
706 1 26 GLU H 1 27 LEU H 2.700 . 3.500 2.533 2.342 2.668 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
707 1 26 GLU H 1 26 GLU HB3 2.500 . 3.100 2.438 1.895 3.037 0.005 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
708 1 25 GLU HB3 1 26 GLU H 4.400 . 6.000 2.219 1.874 2.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
709 1 26 GLU H 1 28 HIS H 4.600 2.500 6.000 4.270 4.029 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
710 1 11 LYS H 1 12 LEU H 2.500 . 3.100 2.594 2.412 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
711 1 8 VAL H 1 10 GLU H 5.700 2.400 6.000 4.146 3.596 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
712 1 4 TRP H 1 8 VAL H 4.700 2.500 6.000 5.628 4.444 6.463 0.463 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
713 1 7 ASN HA 1 8 VAL H 2.900 2.100 3.700 3.456 3.322 3.530 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
714 1 5 SER QB 1 8 VAL H 4.900 2.500 6.000 2.803 2.467 3.087 0.033 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
715 1 8 VAL H 1 8 VAL HA 2.800 . 3.600 2.857 2.798 2.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
716 1 7 ASN HB3 1 8 VAL H 3.100 . 6.000 3.632 2.355 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
717 1 8 VAL H 1 8 VAL HB 2.200 . 2.700 2.495 2.270 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
718 1 8 VAL H 1 8 VAL MG2 2.300 . 6.000 2.208 1.976 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
719 1 8 VAL H 1 8 VAL MG1 4.100 2.400 5.800 3.750 3.673 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
720 1 11 LYS H 1 11 LYS HA 2.900 . 3.800 2.841 2.793 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
721 1 17 LYS H 1 19 HIS H 3.200 2.100 4.300 3.808 3.387 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
722 1 17 LYS H 1 18 ARG H 2.400 . 3.000 2.442 2.002 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
723 1 16 VAL MG1 1 17 LYS H 3.500 2.300 4.700 3.271 2.833 3.834 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
724 1 35 GLY H 1 35 GLY HA2 2.200 . 2.700 2.454 2.313 2.503 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
725 1 34 LEU HB3 1 35 GLY H 4.500 2.500 6.000 3.935 3.704 4.280 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
726 1 19 HIS H 1 19 HIS HA 3.600 2.300 4.900 2.921 2.843 2.950 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
727 1 19 HIS H 1 19 HIS HB2 3.700 2.300 5.100 2.460 2.163 2.732 0.137 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
728 1 4 TRP H 1 4 TRP HB2 4.600 2.400 6.000 3.569 2.680 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
729 1 4 TRP H 1 4 TRP HA 4.400 2.400 6.000 2.869 2.324 2.946 0.076 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
730 1 3 GLN HA 1 4 TRP H 3.400 2.300 4.500 3.343 2.228 3.595 0.072 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
731 1 4 TRP H 1 4 TRP HB3 5.700 2.500 6.000 3.394 2.798 3.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
732 1 18 ARG H 1 19 HIS H 2.400 . 3.000 2.400 1.878 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
733 1 18 ARG H 1 18 ARG HA 2.600 . 3.300 2.907 2.841 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
734 1 14 GLU HA 1 18 ARG H 3.100 2.100 4.100 2.874 2.329 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
735 1 17 LYS QB 1 18 ARG H 2.700 . 3.400 2.742 2.233 3.608 0.208 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
736 1 18 ARG H 1 18 ARG HB2 2.400 . 3.000 2.206 1.881 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
737 1 18 ARG H 1 21 ARG H 4.500 2.500 6.000 5.452 4.120 6.083 0.083 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
738 1 34 LEU H 1 35 GLY H 2.400 . 3.000 2.314 1.975 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
739 1 33 ARG HA 1 34 LEU H 3.900 2.400 5.400 3.518 3.353 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
740 1 31 ALA HA 1 34 LEU H 5.200 2.500 6.000 3.595 3.279 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
741 1 33 ARG QB 1 34 LEU H 3.100 2.200 4.000 2.706 2.345 3.150 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
742 1 34 LEU H 1 34 LEU HB2 2.900 . 3.800 2.438 2.335 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
743 1 34 LEU H 1 34 LEU HG 2.600 . 3.300 2.697 2.422 3.055 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
744 1 34 LEU H 1 34 LEU MD2 4.900 2.500 6.000 3.484 3.193 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
745 1 35 GLY H 1 36 LEU H 2.300 . 2.800 2.129 1.965 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
746 1 35 GLY HA2 1 36 LEU H 3.900 2.300 5.500 2.853 2.757 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
747 1 36 LEU H 1 36 LEU HB3 2.400 . 3.000 2.675 1.992 3.102 0.102 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
748 1 36 LEU H 1 36 LEU MD2 5.700 2.400 6.000 3.454 2.397 4.367 0.003 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
749 1 36 LEU H 1 36 LEU MD1 3.800 2.400 5.200 3.965 3.708 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
750 1 36 LEU H 1 36 LEU HA 2.800 . 3.600 2.924 2.871 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
751 1 32 GLN HA 1 36 LEU H 2.900 2.100 3.700 2.885 2.257 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
752 1 37 ASN HB2 1 37 ASN HD22 3.100 2.100 4.100 3.877 3.535 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
753 1 7 ASN HB2 1 7 ASN HD21 4.900 2.500 6.000 3.031 2.189 3.501 0.311 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
754 1 29 GLN HE21 1 29 GLN HG3 5.500 2.500 6.000 2.886 2.220 3.504 0.280 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
755 1 50 GLN HE21 1 50 GLN QG 5.200 2.500 6.000 2.680 2.153 2.819 0.347 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
756 1 32 GLN HE21 1 32 GLN HG2 5.600 2.400 6.000 2.907 2.208 3.509 0.192 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
757 1 3 GLN HE21 1 3 GLN HG2 4.300 2.400 6.000 2.863 2.216 3.523 0.184 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
758 1 37 ASN HB3 1 37 ASN HD21 5.000 2.500 6.000 3.314 2.308 3.555 0.192 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
759 1 37 ASN HB2 1 37 ASN HD21 5.600 2.400 6.000 3.116 2.376 3.554 0.024 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
760 1 4 TRP HE1 1 9 GLU HA 6.000 . 6.000 4.768 1.606 6.018 0.018 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
761 1 4 TRP HE1 1 40 ALA MB 6.000 . 6.000 3.997 3.133 5.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
762 1 52 LYS H 1 52 LYS HB3 3.700 2.300 5.100 3.649 2.802 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
763 1 38 GLU H 1 40 ALA H 6.000 . 6.000 4.635 4.388 5.008 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
764 1 38 GLU HA 1 40 ALA H 6.000 2.100 6.000 4.351 4.041 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
765 1 37 ASN HB2 1 40 ALA H 5.700 2.400 6.000 4.406 3.734 5.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
766 1 36 LEU HB3 1 40 ALA H 6.000 . 6.000 4.745 4.134 5.882 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
767 1 3 GLN H 1 6 GLU H 6.000 2.300 6.000 6.111 5.699 6.378 0.378 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
768 1 6 GLU H 1 7 ASN HA 6.000 . 6.000 5.527 5.172 5.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
769 1 6 GLU H 1 8 VAL MG2 6.000 . 6.000 4.884 4.310 5.256 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
770 1 51 ARG H 1 52 LYS QG 6.000 . 6.000 4.770 3.390 5.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
771 1 47 GLU HA 1 51 ARG H 4.900 2.500 6.000 5.035 3.276 6.291 0.291 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
772 1 22 ILE H 1 23 THR H 6.000 . 6.000 4.311 4.096 4.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
773 1 27 LEU H 1 45 PHE HZ 6.000 . 6.000 5.729 4.935 6.105 0.105 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
774 1 22 ILE HG12 1 27 LEU H 5.200 2.500 6.000 3.235 2.829 4.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
775 1 22 ILE MD 1 27 LEU H 6.000 2.300 6.000 3.393 2.258 4.151 0.042 14 0 "[ . 1 . 2 . 3 . 4 ]" 1
776 1 12 LEU H 1 34 LEU MD1 6.000 2.200 6.000 4.289 3.493 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
777 1 11 LYS HA 1 12 LEU H 4.300 2.500 6.000 3.505 3.382 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
778 1 23 THR H 1 24 GLN H 6.000 . 6.000 4.595 4.404 4.637 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
779 1 24 GLN H 1 25 GLU HB3 6.000 . 6.000 4.961 4.640 5.384 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
780 1 2 LYS HB3 1 3 GLN H 6.000 . 6.000 3.579 2.052 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
781 1 2 LYS HG3 1 3 GLN H 6.000 . 6.000 4.541 2.859 5.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
782 1 31 ALA HA 1 33 ARG H 6.000 2.100 6.000 4.162 3.930 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
783 1 33 ARG H 1 33 ARG HD2 6.000 . 6.000 5.059 4.492 5.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
784 1 30 TYR HB3 1 33 ARG H 5.800 2.500 6.000 5.458 5.239 5.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
785 1 32 GLN HG3 1 33 ARG H 6.000 . 6.000 4.604 2.011 5.283 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
786 1 33 ARG H 1 33 ARG HG3 4.200 2.400 6.000 4.455 4.311 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
787 1 43 GLN QG 1 44 PHE H 6.000 . 6.000 3.858 3.172 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
788 1 30 TYR H 1 31 ALA H 2.600 . 3.300 2.534 2.363 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
789 1 30 TYR H 1 31 ALA HA 6.000 . 6.000 5.127 4.972 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
790 1 29 GLN HG3 1 30 TYR H 6.000 . 6.000 4.232 2.358 5.188 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
791 1 26 GLU HB3 1 30 TYR H 5.600 2.400 6.000 4.364 3.687 5.059 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
792 1 30 TYR H 1 30 TYR HB2 2.600 . 3.300 2.392 2.082 2.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
793 1 29 GLN HB3 1 30 TYR H 3.400 2.300 4.500 2.887 2.336 4.131 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
794 1 30 TYR H 1 30 TYR HB3 2.500 . 3.100 2.609 2.404 2.936 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
795 1 5 SER HA 1 8 VAL H 6.000 . 6.000 4.445 4.196 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
796 1 8 VAL H 1 9 GLU HA 6.000 . 6.000 5.118 4.820 5.355 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
797 1 8 VAL H 1 9 GLU QB 6.000 . 6.000 4.207 3.846 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
798 1 37 ASN HB2 1 38 GLU H 5.200 2.500 6.000 2.549 2.263 3.191 0.237 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
799 1 15 PHE H 1 16 VAL HA 6.000 . 6.000 5.136 4.856 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
800 1 14 GLU HG2 1 15 PHE H 6.000 . 6.000 4.796 4.079 5.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
801 1 15 PHE H 1 16 VAL MG2 6.000 . 6.000 3.967 3.623 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
802 1 23 THR H 1 26 GLU H 5.900 2.400 6.000 4.455 3.161 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
803 1 23 THR HB 1 26 GLU H 6.000 2.300 6.000 3.785 3.125 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
804 1 31 ALA HA 1 36 LEU H 6.000 2.200 6.000 3.875 3.308 4.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
805 1 40 ALA HA 1 42 ARG H 5.100 2.500 6.000 4.563 4.019 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
806 1 41 ILE HA 1 42 ARG H 5.900 2.500 6.000 3.551 3.505 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
807 1 37 ASN HD21 1 39 GLU H 6.000 . 6.000 3.258 2.387 5.472 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
808 1 39 GLU H 1 40 ALA HA 6.000 . 6.000 5.422 5.336 5.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
809 1 37 ASN HB2 1 39 GLU H 5.600 2.400 6.000 3.005 2.438 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
810 1 37 ASN HB3 1 39 GLU H 6.000 . 6.000 4.454 3.114 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
811 1 39 GLU H 1 39 GLU HB2 2.400 . 3.000 2.577 2.392 3.000 0.000 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
812 1 39 GLU H 1 41 ILE HB 6.000 . 6.000 4.800 3.965 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
813 1 39 GLU H 1 40 ALA MB 6.000 . 6.000 4.536 4.390 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
814 1 21 ARG HB2 1 22 ILE H 5.200 2.500 6.000 3.652 2.409 4.579 0.091 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
815 1 42 ARG H 1 42 ARG HA 2.900 2.100 3.700 2.837 2.781 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
816 1 37 ASN H 1 37 ASN HB2 2.900 2.100 3.700 3.671 3.078 4.007 0.307 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
817 1 37 ASN H 1 40 ALA MB 3.000 2.100 3.900 3.143 2.393 3.938 0.038 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
818 1 10 GLU QG 1 11 LYS H 6.000 2.100 6.000 2.985 2.584 3.557 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
819 1 13 LYS HB2 1 14 GLU H 4.100 2.400 5.800 3.878 3.695 4.147 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
820 1 4 TRP H 1 40 ALA MB 5.600 2.400 6.000 3.700 2.744 5.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
821 1 3 GLN QB 1 4 TRP H 6.000 . 6.000 2.627 1.667 3.990 0.133 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
822 1 21 ARG H 1 21 ARG HG2 6.000 2.200 6.000 4.186 3.082 5.305 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
823 1 50 GLN H 1 50 GLN HE21 6.000 . 6.000 4.227 1.841 5.254 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
824 1 49 GLU QG 1 50 GLN H 6.000 2.400 6.000 2.768 2.187 4.214 0.213 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
825 1 17 LYS H 1 21 ARG H 5.200 2.500 6.000 5.560 4.780 6.091 0.091 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
826 1 11 LYS H 1 13 LYS H 6.000 . 6.000 4.248 3.932 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
827 1 13 LYS H 1 44 PHE QE 6.000 2.100 6.000 3.221 2.376 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
828 1 9 GLU HB3 1 13 LYS H 5.900 2.400 6.000 4.724 3.912 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
829 1 12 LEU HG 1 13 LYS H 6.000 . 6.000 4.144 3.455 5.180 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
830 1 11 LYS HA 1 13 LYS H 6.000 . 6.000 4.384 3.932 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
831 1 16 VAL HA 1 19 HIS H 6.000 . 6.000 4.495 3.847 5.158 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
832 1 18 ARG HB2 1 19 HIS H 6.000 2.300 6.000 3.221 2.262 3.741 0.038 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
833 1 36 LEU HB3 1 41 ILE H 5.000 2.500 6.000 4.101 3.539 5.485 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
834 1 43 GLN H 1 43 GLN QB 2.100 . 2.600 2.230 2.088 2.483 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
835 1 8 VAL HA 1 10 GLU H 5.300 2.500 6.000 4.338 4.023 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
836 1 45 PHE H 1 47 GLU H 6.000 2.100 6.000 4.009 3.604 4.497 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
837 1 5 SER QB 1 7 ASN H 6.000 . 6.000 3.483 2.884 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
838 1 32 GLN H 1 34 LEU H 6.000 . 6.000 4.176 3.809 4.471 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
839 1 32 GLN QB 1 34 LEU H 6.000 . 6.000 4.837 4.496 5.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
840 1 33 ARG HG2 1 34 LEU H 6.000 . 6.000 4.298 3.362 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
841 1 5 SER H 1 36 LEU MD2 5.800 . 6.000 2.669 1.950 5.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
842 1 4 TRP HD1 1 5 SER H 6.000 . 6.000 5.127 3.458 6.160 0.160 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
843 1 4 TRP H 1 5 SER H 6.000 . 6.000 3.800 2.293 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
844 1 22 ILE MG 1 23 THR H 6.000 . 6.000 3.675 2.601 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
845 1 29 GLN HB3 1 32 GLN H 5.200 2.500 6.000 5.771 5.380 6.115 0.115 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
846 1 7 ASN HA 1 7 ASN HD21 5.400 2.500 6.000 3.424 1.641 4.518 0.859 21 4 "[ . - 1 . * 2+ . * . 4 ]" 1
847 1 20 GLN HE21 1 20 GLN QG 5.300 2.500 6.000 2.331 2.142 2.803 0.358 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
848 1 37 ASN HD21 1 41 ILE HA 6.000 . 6.000 6.082 5.778 6.833 0.833 12 1 "[ . 1 + . 2 . 3 . 4 ]" 1
849 1 43 GLN HE21 1 43 GLN QG 4.400 2.500 6.000 2.346 2.119 2.832 0.381 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
850 1 33 ARG HA 1 35 GLY H 5.900 2.400 6.000 4.447 3.772 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
851 1 34 LEU HB2 1 35 GLY H 5.500 2.500 6.000 3.081 2.758 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
852 1 4 TRP HE1 1 44 PHE QE 5.000 . 6.000 5.325 2.303 6.128 0.128 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
853 1 6 GLU HA 1 10 GLU H 5.000 . 6.000 4.738 3.952 5.716 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
854 1 7 ASN HA 1 11 LYS H 5.000 . 6.000 4.414 3.398 4.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
855 1 8 VAL HA 1 12 LEU H 5.000 . 6.000 3.561 2.933 4.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
856 1 12 LEU H 1 14 GLU H 5.000 . 6.000 3.999 3.756 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
857 1 16 VAL H 1 18 ARG H 5.000 . 6.000 3.870 3.525 4.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
858 1 24 GLN H 1 26 GLU H 5.000 . 6.000 4.676 4.180 5.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
859 1 15 PHE HA 1 17 LYS H 5.000 . 6.000 4.973 4.365 5.542 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
860 1 16 VAL HA 1 18 ARG H 5.000 . 6.000 4.971 4.420 5.392 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
861 1 29 GLN H 1 31 ALA H 5.000 . 6.000 3.839 3.706 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
862 1 38 GLU HA 1 42 ARG H 5.000 . 6.000 3.709 2.769 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
863 1 41 ILE H 1 43 GLN H 5.000 . 6.000 3.896 3.586 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
864 1 41 ILE HA 1 45 PHE H 5.000 . 6.000 4.830 4.053 5.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
865 1 46 GLU H 1 48 PHE H 5.000 . 6.000 4.150 3.718 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
866 1 13 LYS HA 1 17 LYS H 5.000 . 6.000 3.742 2.834 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
867 1 27 LEU MD1 1 45 PHE HZ 5.000 . 6.000 2.523 1.731 5.505 0.069 9 0 "[ . 1 . 2 . 3 . 4 ]" 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 293
_Distance_constraint_stats_list.Viol_count 1085
_Distance_constraint_stats_list.Viol_total 5762.689
_Distance_constraint_stats_list.Viol_max 0.917
_Distance_constraint_stats_list.Viol_rms 0.0538
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0106
_Distance_constraint_stats_list.Viol_average_violations_only 0.1235
_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 1 MET 3.880 0.617 41 1 "[ . 1 . 2 . 3 . 4+ ]"
1 2 LYS 8.824 0.709 41 2 "[ . 1 . 2 . 3 - . 4+ ]"
1 3 GLN 10.151 0.829 26 3 "[ . 1 . 2 * .+ 3 . 4- ]"
1 4 TRP 13.483 0.742 32 4 "[ . 1 . 2 * . 3 +* . - 4 ]"
1 5 SER 3.259 0.183 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 GLU 7.391 0.767 12 5 "[ .* -1 + . * .* 3 . 4 ]"
1 7 ASN 14.865 0.767 12 9 "[ ** .* *-1 + . 2 .* 3* .* 4 ]"
1 8 VAL 5.810 0.640 23 1 "[ . 1 . 2 + . 3 . 4 ]"
1 9 GLU 16.130 0.742 32 6 "[ ** . * 1 . 2 . 3*+ .- 4 ]"
1 10 GLU 7.407 0.602 6 3 "[ .+ - . * . 3 . 4 ]"
1 11 LYS 22.273 0.674 24 3 "[* . - . 2 +. 3 . 4 ]"
1 12 LEU 6.845 0.900 23 2 "[ . 1 -. 2 + . 3 . 4 ]"
1 13 LYS 13.079 0.777 43 3 "[ . 1 . 2 -.* 3 . 4 +]"
1 14 GLU 16.196 0.553 15 2 "[ . 1 + 2 . 3 . - 4 ]"
1 15 PHE 7.286 0.674 24 2 "[- . 1 . 2 +. 3 . 4 ]"
1 16 VAL 1.222 0.137 9 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 LYS 17.739 0.777 43 3 "[* . 1 . 2 .* 3 . 4 +]"
1 18 ARG 19.535 0.777 43 5 "[* . 1 * 2 *. 3 . - 4 +]"
1 19 HIS 6.552 0.440 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 GLN 1.116 0.363 1 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 ARG 5.394 0.716 12 2 "[ . 1 + . 2 . 3 . 4 -]"
1 22 ILE 11.054 0.900 23 4 "[ . 1 * *. 2 + . 3 . 4 -]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 GLN 0.801 0.403 16 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 GLU 6.551 0.732 15 3 "[ . 1 -+ 2 . 3 . * 4 ]"
1 26 GLU 6.647 0.767 12 4 "[ .* -1 + . 2 .* 3 . 4 ]"
1 27 LEU 13.381 0.900 23 4 "[ . 1 ** 2 + . 3 . - 4 ]"
1 28 HIS 8.470 0.638 37 1 "[ . 1 . 2 . 3 . + 4 ]"
1 29 GLN 2.394 0.617 41 1 "[ . 1 . 2 . 3 . 4+ ]"
1 30 TYR 14.547 0.767 12 9 "[ ** .* *-1 + . 2 .* 3* .* 4 ]"
1 31 ALA 16.239 0.663 33 1 "[ . 1 . 2 . 3 + . 4 ]"
1 32 GLN 15.524 0.801 16 7 "[ ** . * 1 .+ 2 . 3* .- 4* ]"
1 33 ARG 8.121 0.553 15 2 "[ . 1 + 2 . 3 . - 4 ]"
1 34 LEU 8.696 0.281 33 0 "[ . 1 . 2 . 3 . 4 ]"
1 35 GLY 2.784 0.183 10 0 "[ . 1 . 2 . 3 . 4 ]"
1 36 LEU 14.060 0.801 16 2 "[ . 1 .+ 2 . 3 . 4- ]"
1 37 ASN 7.949 0.300 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 38 GLU 4.886 0.410 14 0 "[ . 1 . 2 . 3 . 4 ]"
1 39 GLU 15.828 0.829 26 4 "[ . 1 -* 2 .+ 3 . * 4 ]"
1 40 ALA 4.908 0.829 26 1 "[ . 1 . 2 .+ 3 . 4 ]"
1 41 ILE 7.990 0.801 16 3 "[ . 1 -*+ 2 . 3 . 4 ]"
1 42 ARG 8.592 0.553 15 2 "[ . 1 + 2 . 3 . - 4 ]"
1 43 GLN 10.567 0.742 32 2 "[ . 1 . 2 . 3 + . 4- ]"
1 44 PHE 0.629 0.133 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 45 PHE 3.855 0.602 6 2 "[ .+ 1 . - . 3 . 4 ]"
1 46 GLU 10.471 0.602 6 3 "[ .+ - . * . 3 . 4 ]"
1 47 GLU 6.175 0.514 10 1 "[ . + . 2 . 3 . 4 ]"
1 48 PHE 6.035 0.684 26 1 "[ . 1 . 2 .+ 3 . 4 ]"
1 49 GLU 10.761 0.917 26 7 "[ . - * . *2 *+ 3 ** 4 ]"
1 50 GLN 6.102 0.917 26 7 "[ . - * . *2 *+ 3 ** 4 ]"
1 51 ARG 2.485 0.391 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 52 LYS 0.664 0.132 12 0 "[ . 1 . 2 . 3 . 4 ]"
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 42 ARG HA 1 45 PHE HB2 4.000 2.400 5.600 3.047 2.381 4.030 0.019 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
2 1 13 LYS QE 1 13 LYS QG 3.100 2.100 4.100 2.153 1.972 2.624 0.128 30 0 "[ . 1 . 2 . 3 . 4 ]" 2
3 1 10 GLU HB2 1 13 LYS HE2 5.000 2.500 6.000 3.907 2.859 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
4 1 11 LYS HE3 1 15 PHE QB 2.800 . 3.600 3.512 2.371 4.274 0.674 24 1 "[ . 1 . 2 +. 3 . 4 ]" 2
5 1 11 LYS QB 1 11 LYS QE 2.600 . 3.300 1.903 1.584 3.301 0.316 17 0 "[ . 1 . 2 . 3 . 4 ]" 2
6 1 10 GLU HA 1 13 LYS HE2 4.100 2.400 5.800 3.006 2.274 4.170 0.126 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
7 1 45 PHE HA 1 48 PHE QB 2.700 . 3.400 2.305 2.047 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
8 1 7 ASN HB2 1 9 GLU QB 5.400 2.500 6.000 6.221 5.780 6.716 0.716 31 5 "[ ** . * 1 . 2 . 3+ .- 4 ]" 2
9 1 27 LEU HA 1 30 TYR HB3 3.200 2.200 4.200 2.534 2.199 2.787 0.001 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
10 1 29 GLN HA 1 29 GLN HG3 2.600 . 3.300 2.446 2.100 2.895 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
11 1 29 GLN HB3 1 29 GLN HG3 2.200 . 2.700 1.968 1.901 2.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
12 1 27 LEU HA 1 30 TYR HB2 2.700 . 3.400 2.449 2.291 2.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
13 1 29 GLN HA 1 29 GLN HG2 2.700 . 3.400 2.380 2.076 2.889 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
14 1 6 GLU HA 1 10 GLU QG 2.800 . 6.000 5.790 5.256 6.602 0.602 6 2 "[ .+ 1 . - . 3 . 4 ]" 2
15 1 20 GLN HA 1 20 GLN QG 2.700 . 3.400 2.378 2.117 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
16 1 20 GLN HB3 1 20 GLN QG 2.100 . 2.500 1.971 1.888 2.045 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
17 1 10 GLU QG 1 11 LYS QB 2.500 . 3.100 3.186 2.894 3.614 0.514 10 1 "[ . + . 2 . 3 . 4 ]" 2
18 1 14 GLU QB 1 14 GLU HG2 1.700 . 2.200 1.971 1.906 2.005 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
19 1 13 LYS HD3 1 14 GLU HG3 3.700 2.300 5.100 3.044 2.060 4.044 0.240 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
20 1 14 GLU HA 1 14 GLU QG 2.600 . 3.300 2.376 2.106 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
21 1 14 GLU HG2 1 18 ARG HB3 3.000 2.100 3.900 3.165 2.077 3.683 0.023 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
22 1 3 GLN QB 1 43 GLN QG 4.500 2.500 6.000 3.964 2.736 4.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
23 1 20 GLN HG2 1 21 ARG HG3 5.600 2.500 6.000 3.961 2.368 4.410 0.132 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
24 1 20 GLN HB2 1 20 GLN QG 2.000 . 2.400 1.954 1.875 2.079 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
25 1 32 GLN HG3 1 36 LEU MD1 4.300 2.400 6.000 4.795 2.772 6.801 0.801 16 1 "[ . 1 .+ 2 . 3 . 4 ]" 2
26 1 8 VAL HB 1 9 GLU HG2 4.000 2.400 5.600 3.541 2.636 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
27 1 3 GLN QB 1 39 GLU QG 2.900 2.100 3.700 2.711 1.783 3.586 0.317 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
28 1 12 LEU HG 1 14 GLU QG 3.600 2.300 4.900 4.999 4.750 5.310 0.410 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
29 1 13 LYS HB2 1 14 GLU HG3 3.400 2.200 4.600 3.626 2.079 4.653 0.121 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
30 1 3 GLN QG 1 40 ALA MB 4.800 2.500 6.000 3.787 2.338 5.361 0.162 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
31 1 29 GLN HA 1 29 GLN HB3 2.400 . 3.000 2.261 2.126 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
32 1 24 GLN QG 1 41 ILE MD 4.400 2.400 6.000 4.316 3.203 5.677 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
33 1 24 GLN HG2 1 25 GLU HA 3.000 2.100 3.900 2.862 2.402 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
34 1 1 MET QG 1 3 GLN QG 5.100 2.500 6.000 4.555 2.112 6.617 0.617 41 1 "[ . 1 . 2 . 3 . 4+ ]" 2
35 1 20 GLN HA 1 20 GLN HB2 2.400 . 3.000 2.553 2.136 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
36 1 8 VAL HB 1 8 VAL MG1 2.100 . 2.500 1.982 1.776 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
37 1 25 GLU HB3 1 25 GLU HG3 1.800 . 2.200 2.009 1.914 2.227 0.027 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
38 1 25 GLU HB3 1 27 LEU HB2 3.800 2.300 5.300 5.415 5.256 6.032 0.732 15 2 "[ . 1 -+ 2 . 3 . 4 ]" 2
39 1 25 GLU HA 1 25 GLU HB3 2.700 . 3.400 2.687 2.636 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
40 1 3 GLN QB 1 39 GLU HB3 3.600 2.300 4.900 3.976 3.027 5.056 0.156 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
41 1 11 LYS HG3 1 14 GLU HB2 3.000 2.100 3.900 3.049 2.171 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
42 1 3 GLN QB 1 36 LEU HB3 3.600 2.300 4.900 3.908 3.008 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
43 1 3 GLN HA 1 3 GLN QB 2.000 . 2.400 1.937 1.867 2.013 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
44 1 6 GLU QB 1 6 GLU QG 1.700 . 2.200 1.727 1.682 1.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
45 1 39 GLU HB2 1 40 ALA MB 3.700 2.400 5.000 4.067 2.831 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
46 1 32 GLN QB 1 32 GLN HG3 1.800 . 2.200 1.968 1.862 2.076 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
47 1 32 GLN HB2 1 36 LEU MD1 6.000 . 6.000 4.822 3.573 5.904 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
48 1 39 GLU HA 1 42 ARG HB3 2.400 . 3.000 2.433 2.295 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
49 1 42 ARG HA 1 42 ARG QB 2.400 . 3.000 2.220 2.086 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
50 1 11 LYS QB 1 11 LYS HG3 2.100 . 2.500 2.059 1.982 2.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
51 1 20 GLN HB2 1 20 GLN QG 2.000 . 2.400 2.047 1.928 2.156 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
52 1 13 LYS QG 1 17 LYS HG3 3.100 2.100 4.100 3.344 2.459 4.877 0.777 43 1 "[ . 1 . 2 . 3 . 4 +]" 2
53 1 22 ILE MG 1 27 LEU HB2 2.500 . 3.100 2.089 1.898 2.280 0.002 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
54 1 18 ARG HA 1 18 ARG QG 2.900 2.100 3.700 2.468 2.272 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
55 1 14 GLU HA 1 18 ARG QG 3.100 2.200 4.000 2.087 1.647 2.418 0.553 15 2 "[ . 1 + 2 . 3 . - 4 ]" 2
56 1 33 ARG HB3 1 33 ARG HG2 1.700 . 2.200 1.687 1.669 1.715 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
57 1 2 LYS HA 1 2 LYS QD 4.200 2.400 6.000 3.271 2.180 3.866 0.220 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
58 1 8 VAL MG1 1 36 LEU HG 2.600 . 3.300 1.978 1.895 2.105 0.005 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
59 1 11 LYS HB3 1 11 LYS HG2 3.000 2.100 3.900 2.078 1.968 2.217 0.132 19 0 "[ . 1 . 2 . 3 . 4 ]" 2
60 1 8 VAL MG1 1 36 LEU HB2 3.600 2.300 4.900 3.100 2.788 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
61 1 22 ILE HB 1 22 ILE HG12 3.600 2.300 4.900 2.650 2.220 2.994 0.080 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
62 1 16 VAL MG2 1 45 PHE QE 4.700 2.500 6.000 3.753 2.515 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
63 1 8 VAL MG1 1 8 VAL MG2 2.100 . 2.500 1.978 1.688 2.070 0.012 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
64 1 8 VAL MG2 1 34 LEU MD2 3.200 2.200 4.200 2.933 2.199 3.540 0.001 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
65 1 16 VAL MG1 1 45 PHE QE 4.400 2.500 6.000 3.153 2.450 4.238 0.050 20 0 "[ . 1 . 2 . 3 . 4 ]" 2
66 1 8 VAL MG1 1 34 LEU HB3 3.500 2.300 4.700 2.282 2.019 3.366 0.281 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
67 1 8 VAL MG1 1 12 LEU HB3 3.500 2.300 4.700 2.552 2.245 3.050 0.055 17 0 "[ . 1 . 2 . 3 . 4 ]" 2
68 1 8 VAL MG1 1 31 ALA MB 4.200 2.400 6.000 3.893 2.910 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
69 1 31 ALA MB 1 36 LEU MD2 3.400 2.300 4.500 3.061 2.904 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
70 1 31 ALA MB 1 36 LEU MD1 2.500 . 3.100 1.957 1.858 2.171 0.042 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
71 1 8 VAL HA 1 12 LEU MD1 4.400 2.400 6.000 3.897 2.863 4.635 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
72 1 34 LEU HB2 1 34 LEU MD2 3.200 2.200 4.200 2.994 2.651 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
73 1 3 GLN QB 1 40 ALA MB 5.100 2.500 6.000 2.829 1.671 3.917 0.829 26 1 "[ . 1 . 2 .+ 3 . 4 ]" 2
74 1 28 HIS HD2 1 31 ALA MB 6.000 . 6.000 4.505 3.647 5.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
75 1 4 TRP HB3 1 31 ALA MB 5.900 2.400 6.000 4.345 4.015 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
76 1 31 ALA MB 1 32 GLN HG3 4.600 2.500 6.000 3.945 2.693 5.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
77 1 8 VAL MG1 1 31 ALA MB 3.300 2.200 4.400 3.046 2.569 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
78 1 31 ALA MB 1 36 LEU MD1 2.400 . 3.000 1.860 1.685 1.981 0.115 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
79 1 28 HIS HA 1 41 ILE MG 3.500 2.300 4.700 3.110 2.718 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
80 1 27 LEU HG 1 41 ILE MG 4.800 2.500 6.000 3.901 2.824 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
81 1 21 ARG HA 1 22 ILE MG 3.200 2.200 4.200 2.963 2.491 3.119 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
82 1 16 VAL HA 1 22 ILE MD 3.900 2.400 5.400 5.047 2.867 5.537 0.137 9 0 "[ . 1 . 2 . 3 . 4 ]" 2
83 1 11 LYS HE3 1 22 ILE MD 5.000 2.500 6.000 5.831 4.131 6.440 0.440 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
84 1 19 HIS HB2 1 22 ILE MD 4.300 2.500 6.000 5.530 4.475 6.214 0.214 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
85 1 22 ILE HB 1 22 ILE MD 2.900 2.100 3.700 2.268 1.775 2.813 0.325 28 0 "[ . 1 . 2 . 3 . 4 ]" 2
86 1 24 GLN QG 1 41 ILE MD 5.300 2.500 6.000 4.369 3.219 5.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
87 1 32 GLN QB 1 41 ILE MD 3.700 2.300 5.100 3.541 3.048 4.504 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
88 1 27 LEU HG 1 41 ILE MD 4.300 2.400 6.000 4.375 3.487 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
89 1 33 ARG HB2 1 33 ARG QD 2.900 2.100 3.700 2.214 2.002 2.610 0.098 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
90 1 33 ARG QD 1 33 ARG HG3 2.800 . 3.600 2.080 1.976 2.258 0.024 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
91 1 46 GLU QB 1 51 ARG QD 5.300 2.500 6.000 4.882 3.035 6.391 0.391 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
92 1 39 GLU HA 1 42 ARG HD2 5.200 2.500 6.000 4.430 3.036 6.025 0.025 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
93 1 8 VAL HA 1 34 LEU HB3 5.800 2.400 6.000 3.877 3.231 4.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
94 1 8 VAL HA 1 34 LEU HB2 4.900 2.500 6.000 3.312 2.729 3.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
95 1 11 LYS HA 1 11 LYS QE 4.600 2.500 6.000 3.512 3.065 3.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
96 1 12 LEU HG 1 27 LEU HB2 5.800 2.400 6.000 5.124 4.784 5.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
97 1 7 ASN HB3 1 8 VAL MG1 6.000 . 6.000 4.197 3.687 5.101 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
98 1 44 PHE QB 1 45 PHE HZ 6.000 2.100 6.000 4.210 3.194 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
99 1 7 ASN HB3 1 8 VAL HA 4.000 2.400 5.600 3.266 2.757 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
100 1 7 ASN HB3 1 8 VAL HB 5.500 2.500 6.000 4.447 3.554 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
101 1 7 ASN HB2 1 8 VAL HB 5.400 2.500 6.000 4.325 4.103 4.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
102 1 6 GLU QG 1 7 ASN HB2 3.500 2.300 4.700 4.594 3.624 5.467 0.767 12 4 "[ .* -1 + . 2 .* 3 . 4 ]" 2
103 1 4 TRP HB3 1 39 GLU HG2 5.900 2.400 6.000 5.049 3.196 6.638 0.638 37 1 "[ . 1 . 2 . 3 . + 4 ]" 2
104 1 14 GLU HG2 1 18 ARG HB3 5.800 2.400 6.000 3.151 2.650 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
105 1 10 GLU HG2 1 11 LYS HA 2.500 . 3.100 2.245 1.884 2.652 0.016 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
106 1 6 GLU QB 1 6 GLU QG 1.600 . 2.200 1.697 1.667 1.739 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
107 1 14 GLU HG2 1 18 ARG HB3 3.800 2.400 5.200 2.899 2.058 3.296 0.342 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
108 1 8 VAL MG1 1 10 GLU QG 6.000 2.200 6.000 4.151 3.061 5.354 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
109 1 29 GLN HA 1 29 GLN HG2 2.800 . 3.600 2.288 1.992 2.803 0.008 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
110 1 2 LYS HB3 1 3 GLN QG 5.200 2.500 6.000 5.369 4.257 6.709 0.709 41 1 "[ . 1 . 2 . 3 . 4+ ]" 2
111 1 24 GLN HG2 1 28 HIS HD2 5.600 2.400 6.000 3.176 1.997 4.272 0.403 16 0 "[ . 1 . 2 . 3 . 4 ]" 2
112 1 11 LYS QB 1 11 LYS HG2 2.500 . 3.100 2.035 1.910 2.163 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
113 1 8 VAL MG2 1 11 LYS HB3 6.000 2.300 6.000 3.598 2.899 4.252 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
114 1 11 LYS QB 1 34 LEU MD2 5.500 2.500 6.000 4.399 3.564 4.967 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
115 1 10 GLU QG 1 11 LYS HB2 6.000 2.400 6.000 3.399 3.063 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
116 1 12 LEU HA 1 16 VAL HB 6.000 . 6.000 4.045 3.911 4.211 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
117 1 22 ILE MG 1 26 GLU HB3 6.000 . 6.000 4.569 3.646 5.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
118 1 10 GLU HA 1 13 LYS QD 4.000 2.400 5.600 3.574 2.439 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
119 1 30 TYR HA 1 33 ARG HB3 2.400 . 3.000 2.144 1.908 2.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
120 1 9 GLU HG2 1 13 LYS HD3 4.000 2.400 5.600 3.587 2.348 4.972 0.052 14 0 "[ . 1 . 2 . 3 . 4 ]" 2
121 1 26 GLU HA 1 29 GLN HB2 2.500 . 3.100 2.452 2.048 2.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
122 1 10 GLU QB 1 10 GLU QG 1.900 . 2.300 1.706 1.673 1.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
123 1 29 GLN HB3 1 29 GLN HG2 2.500 . 3.100 1.981 1.870 2.053 0.030 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
124 1 14 GLU QG 1 18 ARG QG 4.900 2.500 6.000 3.217 2.078 3.711 0.422 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
125 1 8 VAL MG1 1 12 LEU HG 4.400 2.500 6.000 3.645 2.510 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
126 1 14 GLU HA 1 17 LYS HG3 4.000 2.400 5.600 3.360 2.714 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
127 1 12 LEU HG 1 27 LEU MD2 5.700 2.400 6.000 3.142 2.345 4.338 0.055 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
128 1 12 LEU HA 1 16 VAL MG2 5.500 2.500 6.000 3.507 3.080 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
129 1 8 VAL HA 1 34 LEU MD2 5.900 2.400 6.000 4.261 3.225 4.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
130 1 8 VAL HA 1 34 LEU MD2 6.000 2.100 6.000 4.152 3.218 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
131 1 8 VAL HA 1 12 LEU HB3 6.000 . 6.000 4.502 3.738 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
132 1 12 LEU HA 1 16 VAL HA 5.900 2.400 6.000 4.488 4.340 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
133 1 31 ALA MB 1 41 ILE HA 5.900 2.500 6.000 4.213 3.562 4.791 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
134 1 8 VAL HB 1 9 GLU HA 5.000 2.500 6.000 4.126 3.899 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
135 1 31 ALA HA 1 34 LEU HB2 3.600 2.300 4.900 3.231 2.709 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
136 1 8 VAL MG1 1 31 ALA HA 5.200 2.500 6.000 3.535 2.969 4.119 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
137 1 5 SER QB 1 34 LEU HA 2.700 . 6.000 3.855 3.370 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
138 1 11 LYS HG3 1 15 PHE HA 3.600 2.300 4.900 4.823 4.145 5.075 0.175 13 0 "[ . 1 . 2 . 3 . 4 ]" 2
139 1 11 LYS HG2 1 15 PHE HA 3.300 2.200 4.400 4.261 3.950 4.986 0.586 1 1 "[+ . 1 . 2 . 3 . 4 ]" 2
140 1 22 ILE MG 1 24 GLN HA 3.700 2.300 5.100 3.503 2.433 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
141 1 28 HIS HA 1 41 ILE HB 3.900 2.400 5.400 4.017 3.065 4.445 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
142 1 39 GLU HA 1 42 ARG HD2 3.500 2.300 4.700 3.630 3.113 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
143 1 11 LYS HA 1 11 LYS QB 2.000 . 2.400 2.127 2.041 2.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
144 1 43 GLN HA 1 43 GLN QG 2.400 . 3.000 2.423 2.032 2.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
145 1 32 GLN HA 1 32 GLN HG2 1.900 . 2.300 2.020 1.926 2.154 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
146 1 14 GLU HA 1 14 GLU QG 2.300 . 2.800 2.188 1.999 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
147 1 14 GLU HA 1 14 GLU QB 2.000 . 2.400 2.025 1.955 2.111 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
148 1 14 GLU HA 1 14 GLU QG 2.000 . 2.400 2.059 1.928 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
149 1 10 GLU HA 1 10 GLU QB 1.900 . 2.300 2.007 1.952 2.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
150 1 17 LYS HA 1 17 LYS QD 2.200 . 2.700 2.211 1.929 2.913 0.213 20 0 "[ . 1 . 2 . 3 . 4 ]" 2
151 1 31 ALA MB 1 32 GLN HA 3.000 2.100 3.900 3.474 3.201 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
152 1 32 GLN HA 1 32 GLN QB 1.900 . 2.300 2.298 1.536 2.487 0.187 37 0 "[ . 1 . 2 . 3 . 4 ]" 2
153 1 16 VAL HA 1 17 LYS HA 4.300 2.500 6.000 4.107 4.034 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
154 1 17 LYS HA 1 17 LYS QB 1.900 . 2.200 2.193 2.012 2.331 0.131 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
155 1 14 GLU HA 1 17 LYS HG2 2.900 . 3.800 3.258 2.694 3.890 0.090 39 0 "[ . 1 . 2 . 3 . 4 ]" 2
156 1 14 GLU HA 1 18 ARG QB 2.400 . 3.000 2.097 1.662 2.511 0.138 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
157 1 29 GLN HA 1 41 ILE MD 3.200 2.200 4.200 4.059 3.783 4.279 0.079 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
158 1 12 LEU HA 1 36 LEU MD1 4.800 2.500 6.000 4.746 4.403 5.101 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
159 1 27 LEU HA 1 27 LEU HB3 2.400 . 3.000 2.529 2.350 2.692 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
160 1 5 SER HA 1 34 LEU HA 4.200 2.500 5.900 5.946 5.594 6.083 0.183 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
161 1 2 LYS HA 1 2 LYS HB3 2.300 . 2.800 2.143 2.006 2.362 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
162 1 3 GLN HA 1 3 GLN QB 2.200 . 2.700 2.136 2.015 2.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
163 1 15 PHE HA 1 21 ARG HA 2.800 . 6.000 5.940 4.847 6.317 0.317 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
164 1 14 GLU HA 1 19 HIS HA 5.300 2.500 6.000 5.972 5.569 6.195 0.195 41 0 "[ . 1 . 2 . 3 . 4 ]" 2
165 1 3 GLN QB 1 40 ALA HA 5.800 2.400 6.000 3.565 2.222 4.819 0.178 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
166 1 36 LEU MD2 1 40 ALA HA 6.000 2.400 6.000 4.851 4.008 5.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
167 1 8 VAL MG1 1 34 LEU HA 5.000 2.500 6.000 4.598 3.711 5.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
168 1 24 GLN HG2 1 25 GLU HA 3.100 2.100 4.100 3.114 2.350 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
169 1 43 GLN QG 1 48 PHE HA 5.600 2.400 6.000 4.878 3.279 5.527 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
170 1 13 LYS QG 1 48 PHE HZ 5.000 2.500 6.000 3.102 1.816 4.912 0.684 26 1 "[ . 1 . 2 .+ 3 . 4 ]" 2
171 1 2 LYS HA 1 4 TRP HH2 4.500 2.500 6.000 4.891 3.038 6.133 0.133 26 0 "[ . 1 . 2 . 3 . 4 ]" 2
172 1 30 TYR QD 1 34 LEU MD2 5.000 2.500 6.000 3.886 3.569 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
173 1 12 LEU HA 1 30 TYR QE 3.000 2.100 3.900 3.155 2.199 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
174 1 4 TRP HD1 1 9 GLU QB 2.500 . 3.100 3.140 2.496 3.337 0.237 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
175 1 3 GLN QB 1 4 TRP HD1 4.700 2.500 6.000 3.500 1.860 5.520 0.640 23 1 "[ . 1 . 2 + . 3 . 4 ]" 2
176 1 3 GLN HA 1 4 TRP HD1 5.400 2.400 6.000 5.013 2.839 6.084 0.084 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
177 1 12 LEU HG 1 30 TYR QD 4.900 2.500 6.000 4.342 3.979 4.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
178 1 22 ILE MG 1 30 TYR QD 5.100 2.500 6.000 3.687 2.478 4.965 0.022 29 0 "[ . 1 . 2 . 3 . 4 ]" 2
179 1 8 VAL MG1 1 30 TYR QD 5.000 2.500 6.000 3.796 3.063 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
180 1 11 LYS QD 1 19 HIS HE1 4.600 2.500 6.000 4.898 3.423 6.142 0.142 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
181 1 5 SER H 1 6 GLU H 5.300 2.500 6.000 4.146 3.986 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
182 1 25 GLU H 1 25 GLU HG3 6.000 . 6.000 4.290 4.049 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
183 1 24 GLN QG 1 25 GLU H 3.800 2.400 5.200 3.644 3.453 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
184 1 43 GLN H 1 45 PHE H 5.700 2.400 6.000 4.004 3.720 4.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
185 1 5 SER QB 1 7 ASN H 2.700 . 3.400 2.741 2.573 2.853 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
186 1 42 ARG HA 1 45 PHE H 3.100 2.200 4.000 3.105 2.808 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
187 1 6 GLU QG 1 7 ASN H 5.700 2.400 6.000 3.434 2.260 4.216 0.140 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
188 1 38 GLU HG3 1 39 GLU H 3.200 2.200 4.200 3.719 2.318 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
189 1 38 GLU HB2 1 39 GLU H 2.100 . 2.600 2.308 2.025 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
190 1 43 GLN HA 1 44 PHE H 2.800 . 3.600 2.731 2.683 2.787 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
191 1 31 ALA H 1 36 LEU MD1 5.300 2.500 6.000 3.649 3.238 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
192 1 27 LEU HA 1 31 ALA H 3.200 2.200 4.200 3.179 3.102 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
193 1 30 TYR H 1 31 ALA H 2.300 . 2.800 2.305 2.135 2.562 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
194 1 31 ALA H 1 31 ALA MB 2.300 . 2.800 2.219 2.082 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
195 1 10 GLU HA 1 13 LYS H 3.000 2.100 3.900 3.321 3.184 3.429 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
196 1 5 SER QB 1 9 GLU H 4.500 2.400 6.000 3.429 2.792 3.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
197 1 8 VAL MG1 1 9 GLU H 4.700 2.500 6.000 3.258 2.944 3.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
198 1 12 LEU H 1 14 GLU H 5.300 2.400 6.000 3.760 3.580 4.035 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
199 1 10 GLU H 1 12 LEU H 5.700 2.400 6.000 3.630 3.444 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
200 1 11 LYS H 1 12 LEU H 2.500 . 3.100 2.279 2.179 2.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
201 1 12 LEU H 1 12 LEU HA 2.900 2.100 3.700 2.510 2.487 2.536 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
202 1 11 LYS QB 1 12 LEU H 2.700 . 3.400 2.629 2.330 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
203 1 11 LYS HG2 1 12 LEU H 6.000 2.300 6.000 3.835 2.868 4.532 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
204 1 12 LEU H 1 12 LEU HG 2.600 . 3.300 3.137 2.800 4.200 0.900 23 2 "[ . 1 -. 2 + . 3 . 4 ]" 2
205 1 22 ILE MG 1 27 LEU H 6.000 . 6.000 3.369 3.166 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
206 1 26 GLU HA 1 27 LEU H 2.700 . 3.400 2.693 2.650 2.718 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
207 1 16 VAL H 1 20 GLN H 3.200 . 6.000 5.551 4.132 6.027 0.027 25 0 "[ . 1 . 2 . 3 . 4 ]" 2
208 1 12 LEU HA 1 16 VAL H 5.100 2.500 6.000 3.590 3.373 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
209 1 42 ARG HB3 1 46 GLU H 6.000 2.400 6.000 4.216 3.465 4.594 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
210 1 7 ASN H 1 10 GLU H 5.000 2.500 6.000 5.007 4.634 5.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
211 1 26 GLU HA 1 29 GLN H 2.500 . 3.100 2.690 2.574 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
212 1 9 GLU H 1 10 GLU H 2.500 . 3.100 2.707 2.610 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
213 1 10 GLU H 1 10 GLU HA 2.500 . 3.100 2.503 2.474 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
214 1 10 GLU H 1 10 GLU QG 2.900 2.100 3.700 3.372 2.109 3.773 0.073 28 0 "[ . 1 . 2 . 3 . 4 ]" 2
215 1 10 GLU H 1 10 GLU QB 2.100 . 2.500 2.047 1.942 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
216 1 38 GLU HG2 1 41 ILE H 4.200 2.400 6.000 3.766 2.251 3.991 0.149 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
217 1 40 ALA HA 1 41 ILE H 3.300 2.200 4.400 3.050 2.747 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
218 1 40 ALA MB 1 41 ILE H 3.000 2.100 3.900 2.644 2.432 2.868 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
219 1 40 ALA MB 1 42 ARG H 6.000 2.400 6.000 3.383 2.310 3.775 0.090 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
220 1 39 GLU H 1 42 ARG H 5.600 2.500 6.000 3.958 3.689 4.202 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
221 1 3 GLN H 1 5 SER H 4.600 2.400 6.000 5.757 3.890 6.107 0.107 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
222 1 3 GLN H 1 37 ASN HD22 4.400 2.400 6.000 5.546 4.776 6.283 0.283 20 0 "[ . 1 . 2 . 3 . 4 ]" 2
223 1 39 GLU HA 1 42 ARG H 2.900 2.100 3.700 2.850 2.390 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
224 1 38 GLU HB3 1 42 ARG H 5.600 2.400 6.000 3.791 3.342 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
225 1 48 PHE H 1 48 PHE QB 2.700 . 3.400 1.975 1.762 2.205 0.238 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
226 1 11 LYS H 1 14 GLU H 3.200 . 6.000 4.285 4.171 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
227 1 13 LYS HD3 1 14 GLU H 6.000 2.300 6.000 3.231 2.236 4.023 0.064 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
228 1 11 LYS HA 1 14 GLU H 2.100 . 2.500 2.415 2.117 2.506 0.006 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
229 1 13 LYS HB3 1 14 GLU H 2.000 . 2.400 2.334 2.199 2.453 0.053 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
230 1 48 PHE HA 1 49 GLU H 2.500 . 6.000 3.077 2.290 3.496 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
231 1 29 GLN HA 1 32 GLN H 2.400 . 3.000 2.750 2.670 2.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
232 1 32 GLN H 1 36 LEU MD1 4.900 2.500 6.000 4.012 3.524 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
233 1 12 LEU HA 1 15 PHE H 3.000 2.100 3.900 2.963 2.718 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
234 1 27 LEU HA 1 30 TYR H 2.500 . 3.100 2.628 2.567 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
235 1 21 ARG HA 1 22 ILE H 2.500 . 3.100 2.298 2.022 2.482 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
236 1 21 ARG HB3 1 22 ILE H 2.900 2.100 3.700 2.463 2.030 3.391 0.070 31 0 "[ . 1 . 2 . 3 . 4 ]" 2
237 1 51 ARG HB2 1 52 LYS H 2.900 2.100 3.700 3.026 2.144 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
238 1 49 GLU H 1 50 GLN H 2.300 . 2.800 2.072 1.687 2.651 0.113 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
239 1 49 GLU HB3 1 50 GLN H 2.200 . 2.700 2.653 2.236 3.617 0.917 26 7 "[ . - * . *2 *+ 3 ** 4 ]" 2
240 1 30 TYR HA 1 33 ARG H 2.300 . 2.800 2.614 2.549 2.669 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
241 1 45 PHE HA 1 47 GLU H 4.800 2.500 6.000 4.199 3.758 4.717 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
242 1 25 GLU HB2 1 26 GLU H 3.200 2.200 4.200 2.433 2.199 2.655 0.001 19 0 "[ . 1 . 2 . 3 . 4 ]" 2
243 1 10 GLU QB 1 11 LYS H 2.800 . 3.600 2.144 1.953 2.399 0.047 36 0 "[ . 1 . 2 . 3 . 4 ]" 2
244 1 11 LYS H 1 11 LYS QD 3.500 2.300 4.700 3.478 1.844 3.891 0.456 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
245 1 11 LYS H 1 11 LYS HG2 3.800 2.400 5.200 3.598 2.431 3.965 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
246 1 11 LYS H 1 11 LYS HG3 3.300 2.200 4.400 3.286 1.842 3.925 0.358 27 0 "[ . 1 . 2 . 3 . 4 ]" 2
247 1 11 LYS H 1 12 LEU H 2.500 . 3.100 2.253 2.105 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
248 1 8 VAL HA 1 11 LYS H 3.300 2.200 4.400 3.045 2.801 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
249 1 11 LYS H 1 11 LYS QB 2.200 . 2.700 2.145 1.942 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
250 1 14 GLU H 1 17 LYS H 4.100 2.400 5.800 4.009 3.524 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
251 1 10 GLU HA 1 11 LYS H 2.400 . 3.000 2.702 2.597 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
252 1 11 LYS H 1 12 LEU HB2 4.400 2.500 6.000 3.644 3.496 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
253 1 34 LEU H 1 35 GLY H 2.100 . 2.600 1.958 1.778 2.233 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
254 1 32 GLN HA 1 35 GLY H 2.500 . 3.100 2.740 2.608 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
255 1 15 PHE HA 1 19 HIS H 4.300 2.400 6.000 3.053 2.391 3.229 0.009 42 0 "[ . 1 . 2 . 3 . 4 ]" 2
256 1 4 TRP H 1 37 ASN HD22 6.000 . 6.000 4.615 3.097 6.211 0.211 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
257 1 17 LYS HG3 1 18 ARG H 2.400 . 3.000 2.498 1.899 3.549 0.549 43 1 "[ . 1 . 2 . 3 . 4 +]" 2
258 1 32 GLN HA 1 34 LEU H 3.000 2.100 3.900 2.847 2.812 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
259 1 34 LEU H 1 34 LEU HB3 2.700 . 3.400 3.419 3.236 3.554 0.154 38 0 "[ . 1 . 2 . 3 . 4 ]" 2
260 1 31 ALA MB 1 36 LEU H 2.300 . 2.800 2.478 2.103 3.012 0.212 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
261 1 1 MET HA 1 2 LYS H 4.100 2.400 5.800 2.546 2.001 2.821 0.399 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
262 1 4 TRP HE1 1 9 GLU HB2 3.100 2.200 4.000 2.653 1.458 3.582 0.742 32 1 "[ . 1 . 2 . 3 + . 4 ]" 2
263 1 37 ASN HB3 1 40 ALA H 5.800 2.500 6.000 5.056 4.106 5.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
264 1 8 VAL HB 1 12 LEU H 6.000 . 6.000 4.072 3.801 4.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
265 1 24 GLN H 1 25 GLU HA 6.000 . 6.000 5.108 4.984 5.240 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
266 1 31 ALA MB 1 33 ARG H 6.000 . 6.000 3.860 3.681 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
267 1 44 PHE H 1 45 PHE HZ 6.000 . 6.000 5.757 4.671 6.063 0.063 25 0 "[ . 1 . 2 . 3 . 4 ]" 2
268 1 40 ALA HA 1 44 PHE H 6.000 . 6.000 3.902 2.751 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
269 1 40 ALA MB 1 44 PHE H 6.000 . 6.000 4.272 3.560 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
270 1 13 LYS QE 1 15 PHE H 6.000 . 6.000 5.429 4.407 6.109 0.109 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
271 1 11 LYS HB3 1 15 PHE H 6.000 . 6.000 4.443 4.120 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
272 1 42 ARG H 1 45 PHE H 5.900 2.400 6.000 4.483 4.044 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
273 1 3 GLN QG 1 39 GLU H 6.000 2.400 6.000 5.530 4.544 5.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
274 1 18 ARG HB2 1 20 GLN H 6.000 . 6.000 5.509 4.471 6.363 0.363 1 0 "[ . 1 . 2 . 3 . 4 ]" 2
275 1 19 HIS H 1 20 GLN H 6.000 2.200 6.000 3.481 2.271 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
276 1 42 ARG H 1 46 GLU HG3 5.800 2.400 6.000 5.223 4.233 6.061 0.061 18 0 "[ . 1 . 2 . 3 . 4 ]" 2
277 1 28 HIS HE1 1 31 ALA H 3.100 . 6.000 6.150 6.057 6.300 0.300 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
278 1 31 ALA H 1 32 GLN H 3.900 2.400 5.400 2.604 2.383 2.939 0.017 20 0 "[ . 1 . 2 . 3 . 4 ]" 2
279 1 29 GLN HB3 1 31 ALA H 6.000 . 6.000 4.528 3.773 5.086 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
280 1 31 ALA H 1 32 GLN QB 6.000 . 6.000 4.475 3.628 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
281 1 21 ARG HG2 1 22 ILE H 5.100 2.500 6.000 3.594 1.784 4.472 0.716 12 2 "[ . 1 + . 2 . 3 . 4 -]" 2
282 1 14 GLU H 1 15 PHE QB 6.000 . 6.000 3.901 3.665 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
283 1 2 LYS HB2 1 4 TRP H 6.000 2.400 6.000 5.210 2.840 6.663 0.663 33 1 "[ . 1 . 2 . 3 + . 4 ]" 2
284 1 48 PHE QE 1 50 GLN H 4.700 2.400 6.000 4.785 3.538 6.083 0.083 28 0 "[ . 1 . 2 . 3 . 4 ]" 2
285 1 11 LYS HG3 1 13 LYS H 6.000 . 6.000 5.689 5.089 6.137 0.137 43 0 "[ . 1 . 2 . 3 . 4 ]" 2
286 1 17 LYS HG3 1 19 HIS H 6.000 2.100 6.000 3.582 2.262 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
287 1 41 ILE H 1 42 ARG HD2 6.000 2.100 6.000 4.347 3.370 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
288 1 43 GLN HA 1 47 GLU H 2.500 . 3.100 2.635 2.380 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
289 1 43 GLN QG 1 47 GLU H 6.000 . 6.000 3.749 3.285 4.269 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
290 1 46 GLU QB 1 47 GLU H 3.300 2.200 4.400 2.846 2.148 3.418 0.052 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
291 1 46 GLU HG2 1 47 GLU H 3.300 2.200 4.400 2.991 2.182 4.313 0.018 28 0 "[ . 1 . 2 . 3 . 4 ]" 2
292 1 24 GLN QG 1 28 HIS H 6.000 2.200 6.000 3.830 3.454 4.724 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
293 1 34 LEU HG 1 35 GLY H 6.000 . 6.000 3.943 3.566 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
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