NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
495180 |
2l3n   |
17199 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l3n
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 581
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.043
_Distance_constraint_stats_list.Viol_max 0.002
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0021
_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 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.002 0.002 7 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.002 0.002 7 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.002 0.002 7 0 "[ . 1 . 2]"
1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 LEU HA 1 25 THR HB 5.500 . 6.250 5.046 3.216 5.514 . 0 0 "[ . 1 . 2]" 1
2 1 25 THR HB 1 50 LEU QB 6.170 . 6.920 2.576 2.076 4.380 . 0 0 "[ . 1 . 2]" 1
3 1 25 THR HB 1 50 LEU QD 6.070 . 6.820 2.815 2.353 3.758 . 0 0 "[ . 1 . 2]" 1
4 1 21 ILE MG 1 25 THR HB 6.730 . 7.480 4.543 3.615 4.751 . 0 0 "[ . 1 . 2]" 1
5 1 36 MET HA 1 39 THR HB 5.880 . 6.630 4.459 4.371 4.563 . 0 0 "[ . 1 . 2]" 1
6 1 39 THR HB 1 45 ILE HA 5.050 . 5.800 4.235 3.810 4.561 . 0 0 "[ . 1 . 2]" 1
7 1 39 THR HB 1 45 ILE HB 4.500 . 5.250 2.425 2.265 2.671 . 0 0 "[ . 1 . 2]" 1
8 1 39 THR HB 1 42 ARG QB 5.050 . 5.800 2.858 2.151 3.611 . 0 0 "[ . 1 . 2]" 1
9 1 39 THR HB 1 45 ILE MG 5.400 . 6.150 2.866 2.365 3.276 . 0 0 "[ . 1 . 2]" 1
10 1 39 THR HB 1 45 ILE MD 6.610 . 7.360 3.695 2.966 5.063 . 0 0 "[ . 1 . 2]" 1
11 1 18 ILE HA 1 19 ASP H 7.410 . 8.160 3.343 3.317 3.413 . 0 0 "[ . 1 . 2]" 1
12 1 43 VAL HA 1 46 ALA H 5.500 . 6.250 3.409 3.141 3.531 . 0 0 "[ . 1 . 2]" 1
13 1 18 ILE HA 1 32 PHE QE 6.070 . 6.820 2.527 2.279 2.942 . 0 0 "[ . 1 . 2]" 1
14 1 43 VAL HA 1 45 ILE H 5.500 . 6.250 4.393 4.204 4.476 . 0 0 "[ . 1 . 2]" 1
15 1 27 SER QB 1 32 PHE QB 7.060 . 7.810 3.603 2.994 4.043 . 0 0 "[ . 1 . 2]" 1
16 1 27 SER QB 1 31 GLN QB 6.930 . 7.680 2.727 2.145 4.010 . 0 0 "[ . 1 . 2]" 1
17 1 18 ILE HA 1 21 ILE HB 3.500 . 4.250 2.707 2.480 2.917 . 0 0 "[ . 1 . 2]" 1
18 1 35 ALA MB 1 43 VAL HA 7.320 . 8.070 4.957 4.835 5.036 . 0 0 "[ . 1 . 2]" 1
19 1 43 VAL HA 1 46 ALA MB 5.400 . 6.150 2.362 2.213 2.507 . 0 0 "[ . 1 . 2]" 1
20 1 18 ILE HA 1 21 ILE MD 4.580 . 5.330 2.941 2.605 3.562 . 0 0 "[ . 1 . 2]" 1
21 1 22 LEU QD 1 27 SER QB 8.320 . 9.070 3.340 2.437 3.955 . 0 0 "[ . 1 . 2]" 1
22 1 47 ILE HA 1 50 LEU H 3.500 . 4.250 3.220 3.054 3.417 . 0 0 "[ . 1 . 2]" 1
23 1 47 ILE HA 1 48 ALA H 5.600 . 6.250 3.620 3.608 3.634 . 0 0 "[ . 1 . 2]" 1
24 1 25 THR MG 1 47 ILE HA . . 6.150 2.542 2.295 2.985 . 0 0 "[ . 1 . 2]" 1
25 1 47 ILE HA 1 47 ILE MG 3.360 . 4.110 2.287 2.255 2.316 . 0 0 "[ . 1 . 2]" 1
26 1 18 ILE HA 1 21 ILE MG 6.730 . 7.480 3.950 3.728 4.199 . 0 0 "[ . 1 . 2]" 1
27 1 21 ILE MG 1 47 ILE HA 5.400 . 6.150 3.999 3.826 4.448 . 0 0 "[ . 1 . 2]" 1
28 1 21 ILE HA 1 22 LEU H 5.600 . 6.250 3.589 3.566 3.628 . 0 0 "[ . 1 . 2]" 1
29 1 21 ILE HA 1 24 TYR H 3.500 . 4.250 3.449 3.227 3.547 . 0 0 "[ . 1 . 2]" 1
30 1 21 ILE HA 1 23 ARG H 6.170 . 6.920 3.584 3.505 3.703 . 0 0 "[ . 1 . 2]" 1
31 1 21 ILE HA 1 24 TYR QB . . 5.800 2.392 2.316 2.624 . 0 0 "[ . 1 . 2]" 1
32 1 88 ILE HA 1 91 ARG H . . 5.250 3.644 3.346 3.972 . 0 0 "[ . 1 . 2]" 1
33 1 14 VAL HB 1 88 ILE HA 6.170 . 6.920 4.902 3.192 5.489 . 0 0 "[ . 1 . 2]" 1
34 1 88 ILE HA 1 92 LEU QB 5.050 . 5.800 4.185 3.987 4.510 . 0 0 "[ . 1 . 2]" 1
35 1 14 VAL HA 1 17 ALA MB 5.400 . 6.150 2.458 2.226 2.648 . 0 0 "[ . 1 . 2]" 1
36 1 88 ILE HA 1 88 ILE MD 3.360 . 4.110 2.351 2.176 2.810 . 0 0 "[ . 1 . 2]" 1
37 1 96 VAL HA 1 97 SER H 6.170 . 6.920 3.481 3.400 3.527 . 0 0 "[ . 1 . 2]" 1
38 1 85 SER QB 1 86 GLN H 5.050 . 5.800 3.098 2.592 3.588 . 0 0 "[ . 1 . 2]" 1
39 1 42 ARG HA 1 85 SER QB 6.170 . 6.920 2.934 2.422 3.392 . 0 0 "[ . 1 . 2]" 1
40 1 43 VAL HB 1 85 SER QB 8.320 . 9.070 3.963 3.493 4.617 . 0 0 "[ . 1 . 2]" 1
41 1 42 ARG QG 1 85 SER QB 5.670 . 6.420 3.977 2.814 4.551 . 0 0 "[ . 1 . 2]" 1
42 1 38 SER QB 1 39 THR H 3.930 . 4.680 2.980 2.791 3.617 . 0 0 "[ . 1 . 2]" 1
43 1 52 SER QB 1 53 LYS H 5.050 . 5.800 3.369 2.621 4.000 . 0 0 "[ . 1 . 2]" 1
44 1 45 ILE HA 1 46 ALA H 6.930 . 7.680 3.494 3.130 3.579 . 0 0 "[ . 1 . 2]" 1
45 1 45 ILE HA 1 48 ALA H 5.500 . 6.250 3.412 3.278 3.484 . 0 0 "[ . 1 . 2]" 1
46 1 44 ARG QG 1 45 ILE HA 6.220 . 6.970 2.218 2.117 2.277 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL HA 1 10 ASN H . . 5.250 2.859 2.182 3.602 . 0 0 "[ . 1 . 2]" 1
48 1 76 VAL HA 1 77 LYS H 4.500 . 5.250 2.808 2.163 3.508 . 0 0 "[ . 1 . 2]" 1
49 1 55 THR HA 1 56 SER H 5.600 . 6.350 2.886 2.227 3.540 . 0 0 "[ . 1 . 2]" 1
50 1 85 SER HA 1 88 ILE HB 5.400 . 6.150 2.867 2.507 3.301 . 0 0 "[ . 1 . 2]" 1
51 1 43 VAL QG 1 85 SER HA 7.410 . 8.160 2.699 2.042 3.892 . 0 0 "[ . 1 . 2]" 1
52 1 25 THR HA 1 51 LEU QD 6.070 . 6.820 2.373 2.110 4.079 . 0 0 "[ . 1 . 2]" 1
53 1 29 GLU HA 1 32 PHE QB 5.050 . 5.800 2.423 2.169 2.721 . 0 0 "[ . 1 . 2]" 1
54 1 29 GLU HA 1 30 GLN QG 6.170 . 6.920 5.257 5.120 5.453 . 0 0 "[ . 1 . 2]" 1
55 1 22 LEU QD 1 29 GLU HA 6.070 . 6.820 2.438 2.144 2.674 . 0 0 "[ . 1 . 2]" 1
56 1 29 GLU HA 1 92 LEU QD 7.410 . 8.160 3.302 2.721 3.970 . 0 0 "[ . 1 . 2]" 1
57 1 38 SER HA 1 39 THR H . . 5.250 3.531 3.460 3.592 . 0 0 "[ . 1 . 2]" 1
58 1 43 VAL H 1 44 ARG HA 5.050 . 5.800 3.681 3.562 3.782 . 0 0 "[ . 1 . 2]" 1
59 1 52 SER HA 1 53 LYS H 5.500 . 6.250 3.413 3.079 3.572 . 0 0 "[ . 1 . 2]" 1
60 1 93 ARG HA 1 96 VAL HB 4.500 . 5.250 3.304 2.663 4.551 . 0 0 "[ . 1 . 2]" 1
61 1 43 VAL QG 1 44 ARG HA 7.410 . 8.160 3.456 3.222 3.656 . 0 0 "[ . 1 . 2]" 1
62 1 44 ARG HA 1 47 ILE MD 5.400 . 6.150 2.759 2.613 2.892 . 0 0 "[ . 1 . 2]" 1
63 1 30 GLN HA 1 34 GLU H 4.500 . 5.250 3.905 3.674 4.085 . 0 0 "[ . 1 . 2]" 1
64 1 30 GLN HA 1 31 GLN H . . 5.250 3.611 3.550 3.643 . 0 0 "[ . 1 . 2]" 1
65 1 96 VAL QG 1 97 SER HA 8.320 . 9.070 3.546 3.183 3.856 . 0 0 "[ . 1 . 2]" 1
66 1 30 GLN HA 1 96 VAL QG 5.300 . 6.050 2.382 2.117 2.851 . 0 0 "[ . 1 . 2]" 1
67 1 28 THR HA 1 29 GLU H . . 4.250 2.355 2.266 2.446 . 0 0 "[ . 1 . 2]" 1
68 1 34 GLU HA 1 37 GLU H 3.500 . 4.250 3.441 3.278 3.538 . 0 0 "[ . 1 . 2]" 1
69 1 30 GLN HA 1 33 LEU H 3.500 . 4.250 3.402 3.169 3.547 . 0 0 "[ . 1 . 2]" 1
70 1 28 THR HA 1 30 GLN H 5.600 . 6.350 4.316 4.129 4.593 . 0 0 "[ . 1 . 2]" 1
71 1 83 SER HA 1 84 ASP H 4.500 . 5.250 2.628 2.157 3.600 . 0 0 "[ . 1 . 2]" 1
72 1 28 THR HA 1 30 GLN QG 6.930 . 7.680 4.390 4.012 4.775 . 0 0 "[ . 1 . 2]" 1
73 1 22 LEU HG 1 28 THR HA 5.500 . 6.250 4.567 3.956 5.529 . 0 0 "[ . 1 . 2]" 1
74 1 33 LEU HG 1 97 SER HA 5.600 . 6.350 5.652 5.363 5.778 . 0 0 "[ . 1 . 2]" 1
75 1 30 GLN HA 1 33 LEU QB 5.050 . 5.800 2.536 2.392 2.715 . 0 0 "[ . 1 . 2]" 1
76 1 22 LEU QD 1 28 THR HA . . 6.820 2.574 2.196 2.940 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLU HA 1 18 ILE H 6.070 . 6.820 3.181 2.925 3.352 . 0 0 "[ . 1 . 2]" 1
78 1 37 GLU HA 1 38 SER H 5.500 . 6.250 3.598 3.576 3.628 . 0 0 "[ . 1 . 2]" 1
79 1 13 GLU HA 1 17 ALA H 6.170 . 6.920 3.367 3.316 3.422 . 0 0 "[ . 1 . 2]" 1
80 1 10 ASN QB 1 13 GLU HA 6.810 . 7.560 2.655 2.275 3.151 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLU HA 1 19 ASP QB 5.050 . 5.800 2.584 2.326 2.836 . 0 0 "[ . 1 . 2]" 1
82 1 13 GLU HA 1 14 VAL QG 9.580 . 10.330 3.823 3.367 4.300 . 0 0 "[ . 1 . 2]" 1
83 1 37 GLU HA 1 89 LEU QD 6.070 . 6.820 3.692 2.914 4.220 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLU HA 1 19 ASP H 3.500 . 4.250 3.375 3.160 3.509 . 0 0 "[ . 1 . 2]" 1
85 1 12 ARG HA 1 13 GLU H 5.500 . 6.250 3.568 3.534 3.603 . 0 0 "[ . 1 . 2]" 1
86 1 23 ARG HA 1 24 TYR H 4.500 . 5.250 3.608 3.586 3.635 . 0 0 "[ . 1 . 2]" 1
87 1 12 ARG HA 1 16 GLU H 5.500 . 6.250 3.753 3.540 4.060 . 0 0 "[ . 1 . 2]" 1
88 1 94 GLU HA 1 97 SER H 6.170 . 6.920 3.037 2.606 3.439 . 0 0 "[ . 1 . 2]" 1
89 1 12 ARG HA 1 15 ASP QB 7.780 . 8.530 2.400 2.102 2.927 . 0 0 "[ . 1 . 2]" 1
90 1 31 GLN HA 1 50 LEU QD 7.410 . 8.160 3.981 3.737 4.688 . 0 0 "[ . 1 . 2]" 1
91 1 33 LEU HA 1 37 GLU H 4.500 . 5.250 3.951 3.792 4.108 . 0 0 "[ . 1 . 2]" 1
92 1 89 LEU HA 1 92 LEU H 3.500 . 4.250 3.573 3.508 3.618 . 0 0 "[ . 1 . 2]" 1
93 1 31 GLN HA 1 32 PHE H 4.500 . 5.250 3.607 3.583 3.629 . 0 0 "[ . 1 . 2]" 1
94 1 33 LEU HA 1 36 MET H 5.500 . 6.250 3.474 3.373 3.573 . 0 0 "[ . 1 . 2]" 1
95 1 89 LEU HA 1 90 ASN H 4.500 . 5.250 3.630 3.606 3.658 . 0 0 "[ . 1 . 2]" 1
96 1 31 GLN HA 1 34 GLU H 4.500 . 5.250 3.409 3.066 3.667 . 0 0 "[ . 1 . 2]" 1
97 1 33 LEU HA 1 34 GLU H 3.930 . 4.680 3.576 3.564 3.584 . 0 0 "[ . 1 . 2]" 1
98 1 33 LEU HA 1 36 MET QB 5.670 . 6.420 2.619 2.447 2.935 . 0 0 "[ . 1 . 2]" 1
99 1 36 MET QB 1 89 LEU HA 4.580 . 5.330 3.416 3.196 3.550 . 0 0 "[ . 1 . 2]" 1
100 1 33 LEU HA 1 33 LEU QD 3.770 . 4.520 2.188 2.153 2.220 . 0 0 "[ . 1 . 2]" 1
101 1 74 LEU QD 1 75 SER HA 8.900 . 9.650 3.518 2.930 4.469 . 0 0 "[ . 1 . 2]" 1
102 1 33 LEU HA 1 92 LEU QD 3.770 . 4.520 2.211 2.039 2.339 . 0 0 "[ . 1 . 2]" 1
103 1 62 SER HA 1 63 LYS H 4.500 . 5.250 2.589 2.213 3.479 . 0 0 "[ . 1 . 2]" 1
104 1 92 LEU HA 1 96 VAL H 5.600 . 6.350 3.905 3.682 4.133 . 0 0 "[ . 1 . 2]" 1
105 1 99 SER HA 1 100 THR H 4.500 . 5.250 3.058 2.192 3.594 . 0 0 "[ . 1 . 2]" 1
106 1 21 ILE H 1 22 LEU HA 5.050 . 5.800 3.625 3.123 3.954 . 0 0 "[ . 1 . 2]" 1
107 1 89 LEU HA 1 93 ARG H 4.500 . 5.250 3.792 3.512 3.989 . 0 0 "[ . 1 . 2]" 1
108 1 75 SER HA 1 76 VAL H 4.500 . 5.250 2.554 2.171 3.531 . 0 0 "[ . 1 . 2]" 1
109 1 22 LEU HA 1 23 ARG H 6.170 . 6.920 3.326 3.178 3.373 . 0 0 "[ . 1 . 2]" 1
110 1 89 LEU HA 1 92 LEU QB 4.410 . 5.160 2.547 2.373 2.692 . 0 0 "[ . 1 . 2]" 1
111 1 22 LEU HA 1 25 THR MG 6.730 . 7.480 4.261 3.677 4.539 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU HA 1 22 LEU QD 3.770 . 4.520 2.211 2.153 2.346 . 0 0 "[ . 1 . 2]" 1
113 1 3 SER HA 1 4 ILE MD 4.200 . 4.950 3.402 2.852 3.565 . 0 0 "[ . 1 . 2]" 1
114 1 88 ILE MG 1 89 LEU HA 4.040 . 4.790 2.201 2.146 2.250 . 0 0 "[ . 1 . 2]" 1
115 1 89 LEU HA 1 92 LEU QD 4.720 . 5.470 3.329 2.899 3.528 . 0 0 "[ . 1 . 2]" 1
116 1 21 ILE MG 1 22 LEU HA 6.610 . 7.360 3.275 3.075 3.425 . 0 0 "[ . 1 . 2]" 1
117 1 92 LEU HA 1 95 ARG H 5.500 . 6.250 3.532 3.310 3.718 . 0 0 "[ . 1 . 2]" 1
118 1 18 ILE H 1 19 ASP HA 6.290 . 7.040 3.553 3.519 3.572 . 0 0 "[ . 1 . 2]" 1
119 1 86 GLN HA 1 89 LEU H 3.500 . 4.250 3.439 3.164 3.558 . 0 0 "[ . 1 . 2]" 1
120 1 92 LEU HA 1 93 ARG H 5.600 . 6.350 3.606 3.578 3.630 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASP HA 1 16 GLU H 6.930 . 7.680 2.507 2.203 3.166 . 0 0 "[ . 1 . 2]" 1
122 1 92 LEU HA 1 95 ARG QD 6.170 . 6.920 3.239 2.181 3.963 . 0 0 "[ . 1 . 2]" 1
123 1 15 ASP HA 1 18 ILE HB 4.500 . 5.250 2.582 2.305 2.827 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL QG 1 15 ASP HA 7.280 . 8.030 2.633 2.262 3.481 . 0 0 "[ . 1 . 2]" 1
125 1 18 ILE MD 1 92 LEU HA 6.810 . 7.560 2.482 2.240 2.786 . 0 0 "[ . 1 . 2]" 1
126 1 36 MET HA 1 37 GLU H 6.170 . 6.920 3.033 2.974 3.163 . 0 0 "[ . 1 . 2]" 1
127 1 15 ASP HA 1 17 ALA H 5.600 . 6.350 4.529 4.360 4.637 . 0 0 "[ . 1 . 2]" 1
128 1 36 MET HA 1 41 GLY QA 6.290 . 7.040 3.413 3.200 3.739 . 0 0 "[ . 1 . 2]" 1
129 1 19 ASP HA 1 22 LEU HG 4.500 . 5.250 4.415 2.162 4.581 . 0 0 "[ . 1 . 2]" 1
130 1 19 ASP HA 1 23 ARG QB 6.930 . 7.680 4.987 4.588 5.586 . 0 0 "[ . 1 . 2]" 1
131 1 19 ASP HA 1 22 LEU QB 6.170 . 6.920 2.296 2.182 3.144 . 0 0 "[ . 1 . 2]" 1
132 1 36 MET HA 1 46 ALA MB 6.610 . 7.360 2.460 2.270 2.631 . 0 0 "[ . 1 . 2]" 1
133 1 19 ASP HA 1 22 LEU QD 7.550 . 8.160 2.799 2.632 3.023 . 0 0 "[ . 1 . 2]" 1
134 1 36 MET HA 1 39 THR H 6.930 . 7.680 3.215 2.967 3.401 . 0 0 "[ . 1 . 2]" 1
135 1 27 SER HA 1 31 GLN QB 6.170 . 6.920 4.118 3.612 4.731 . 0 0 "[ . 1 . 2]" 1
136 1 27 SER HA 1 28 THR H . . 4.250 2.487 2.271 2.709 . 0 0 "[ . 1 . 2]" 1
137 1 27 SER HA 1 28 THR MG 6.610 . 7.360 3.809 3.559 4.101 . 0 0 "[ . 1 . 2]" 1
138 1 27 SER HA 1 50 LEU QD 7.410 . 8.160 4.112 3.784 4.678 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL H 1 11 HIS HA 5.050 . 5.800 3.541 3.380 3.616 . 0 0 "[ . 1 . 2]" 1
140 1 11 HIS HA 1 14 VAL H 5.600 . 6.250 3.283 2.843 3.835 . 0 0 "[ . 1 . 2]" 1
141 1 91 ARG HA 1 94 GLU H . . 5.250 3.418 3.138 3.804 . 0 0 "[ . 1 . 2]" 1
142 1 11 HIS HA 1 13 GLU QB 6.610 . 7.360 3.078 2.445 4.316 . 0 0 "[ . 1 . 2]" 1
143 1 11 HIS HA 1 14 VAL QG 6.810 . 7.560 2.880 1.974 4.050 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE MD 1 91 ARG HA 6.610 . 7.360 4.303 3.988 5.280 . 0 0 "[ . 1 . 2]" 1
145 1 91 ARG HA 1 92 LEU H 5.600 . 6.250 3.570 3.545 3.606 . 0 0 "[ . 1 . 2]" 1
146 1 53 LYS HA 1 54 GLN H 4.500 . 5.250 3.242 2.353 3.570 . 0 0 "[ . 1 . 2]" 1
147 1 51 LEU HA 1 53 LYS H 5.500 . 6.250 4.156 3.540 4.829 . 0 0 "[ . 1 . 2]" 1
148 1 91 ARG HA 1 95 ARG QB 6.290 . 7.040 4.548 4.165 5.274 . 0 0 "[ . 1 . 2]" 1
149 1 63 LYS HA 1 64 LEU H 4.500 . 5.250 2.345 2.114 3.484 . 0 0 "[ . 1 . 2]" 1
150 1 63 LYS HA 1 64 LEU HG 4.500 . 5.250 4.017 3.456 4.619 . 0 0 "[ . 1 . 2]" 1
151 1 54 GLN HA 1 55 THR H 4.500 . 5.250 2.576 2.204 3.603 . 0 0 "[ . 1 . 2]" 1
152 1 46 ALA HA 1 49 LYS H 5.500 . 6.250 3.508 3.313 3.703 . 0 0 "[ . 1 . 2]" 1
153 1 90 ASN HA 1 93 ARG QD 5.050 . 5.800 3.893 2.314 4.504 . 0 0 "[ . 1 . 2]" 1
154 1 51 LEU QB 1 54 GLN HA 7.060 . 7.810 4.838 3.634 5.749 . 0 0 "[ . 1 . 2]" 1
155 1 54 GLN HA 1 55 THR MG 5.400 . 6.150 3.954 2.956 4.606 . 0 0 "[ . 1 . 2]" 1
156 1 36 MET H 1 46 ALA HA 6.170 . 6.920 3.574 3.557 3.595 . 0 0 "[ . 1 . 2]" 1
157 1 46 ALA HA 1 49 LYS QB 5.670 . 6.420 2.781 2.588 3.002 . 0 0 "[ . 1 . 2]" 1
158 1 35 ALA MB 1 46 ALA HA 5.880 . 6.630 2.601 2.403 3.033 . 0 0 "[ . 1 . 2]" 1
159 1 39 THR MG 1 46 ALA HA 5.400 . 6.150 2.440 2.246 2.561 . 0 0 "[ . 1 . 2]" 1
160 1 45 ILE MG 1 46 ALA HA 6.610 . 7.360 3.912 3.790 4.034 . 0 0 "[ . 1 . 2]" 1
161 1 48 ALA HA 1 51 LEU H 4.500 . 5.250 3.572 3.388 3.775 . 0 0 "[ . 1 . 2]" 1
162 1 48 ALA HA 1 49 LYS H 4.500 . 5.250 3.634 3.610 3.657 . 0 0 "[ . 1 . 2]" 1
163 1 17 ALA HA 1 19 ASP QB 4.410 . 5.160 2.506 2.376 2.678 . 0 0 "[ . 1 . 2]" 1
164 1 35 ALA HA 1 36 MET QG 6.170 . 6.920 5.325 5.260 5.381 . 0 0 "[ . 1 . 2]" 1
165 1 48 ALA HA 1 51 LEU QB 5.050 . 5.800 2.859 2.645 4.336 . 0 0 "[ . 1 . 2]" 1
166 1 17 ALA HA 1 18 ILE H 6.170 . 6.920 3.106 3.005 3.175 . 0 0 "[ . 1 . 2]" 1
167 1 74 LEU HA 1 75 SER H . . 5.250 2.485 2.190 3.568 . 0 0 "[ . 1 . 2]" 1
168 1 17 ALA HA 1 20 ASN QB 5.050 . 5.800 2.511 2.380 2.687 . 0 0 "[ . 1 . 2]" 1
169 1 48 ALA HA 1 51 LEU QD 6.070 . 6.820 2.912 2.632 3.226 . 0 0 "[ . 1 . 2]" 1
170 1 42 ARG HA 1 42 ARG QD . . 4.680 2.629 1.957 3.706 . 0 0 "[ . 1 . 2]" 1
171 1 42 ARG HA 1 43 VAL QG 7.410 . 8.160 3.777 3.653 3.973 . 0 0 "[ . 1 . 2]" 1
172 1 42 ARG HA 1 43 VAL H . . 4.250 2.182 2.108 2.230 . 0 0 "[ . 1 . 2]" 1
173 1 73 ASP HA 1 74 LEU H 4.500 . 5.250 2.422 2.153 3.499 . 0 0 "[ . 1 . 2]" 1
174 1 73 ASP HA 1 74 LEU QD 7.410 . 8.160 4.324 2.932 5.229 . 0 0 "[ . 1 . 2]" 1
175 1 26 ASN HA 1 27 SER H 4.500 . 5.250 2.701 2.459 3.043 . 0 0 "[ . 1 . 2]" 1
176 1 40 GLY QA 1 41 GLY H 3.930 . 4.680 2.853 2.806 2.889 . 0 0 "[ . 1 . 2]" 1
177 1 98 GLY QA 1 99 SER H 3.930 . 4.680 2.467 2.137 2.989 . 0 0 "[ . 1 . 2]" 1
178 1 78 GLY QA 1 79 MET H . . 5.800 2.341 2.147 2.942 . 0 0 "[ . 1 . 2]" 1
179 1 41 GLY QA 1 42 ARG H 6.170 . 6.920 2.941 2.576 3.010 . 0 0 "[ . 1 . 2]" 1
180 1 36 MET QB 1 41 GLY QA 7.060 . 7.810 2.737 2.520 3.122 . 0 0 "[ . 1 . 2]" 1
181 1 41 GLY QA 1 42 ARG QG . . 7.110 4.397 4.142 4.505 . 0 0 "[ . 1 . 2]" 1
182 1 36 MET QB 1 41 GLY QA 7.780 . 8.530 2.701 2.496 3.070 . 0 0 "[ . 1 . 2]" 1
183 1 41 GLY QA 1 89 LEU QB 7.550 . 8.300 2.808 2.228 3.269 . 0 0 "[ . 1 . 2]" 1
184 1 41 GLY QA 1 89 LEU QD 6.810 . 7.560 2.187 1.954 2.990 . 0 0 "[ . 1 . 2]" 1
185 1 92 LEU HA 1 95 ARG QD 5.670 . 6.420 3.197 2.180 3.884 . 0 0 "[ . 1 . 2]" 1
186 1 91 ARG QG 1 95 ARG QD 6.930 . 7.680 4.121 2.249 5.277 . 0 0 "[ . 1 . 2]" 1
187 1 18 ILE MD 1 95 ARG QD . . 7.560 2.335 1.997 3.477 . 0 0 "[ . 1 . 2]" 1
188 1 89 LEU QB 1 93 ARG QD 6.810 . 7.560 3.704 2.207 4.975 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU QD 1 93 ARG QD 8.580 . 9.330 2.975 2.180 3.993 . 0 0 "[ . 1 . 2]" 1
190 1 42 ARG QD 1 85 SER QB 6.930 . 7.680 3.990 2.951 5.514 . 0 0 "[ . 1 . 2]" 1
191 1 42 ARG QD 1 45 ILE MD 4.720 . 5.470 3.252 2.177 3.557 . 0 0 "[ . 1 . 2]" 1
192 1 92 LEU QB 1 93 ARG H . . 5.800 2.632 2.461 2.782 . 0 0 "[ . 1 . 2]" 1
193 1 89 LEU HA 1 92 LEU QB 6.170 . 6.920 2.556 2.374 2.724 . 0 0 "[ . 1 . 2]" 1
194 1 42 ARG QD 1 44 ARG QG 3.530 . 4.280 2.845 2.553 2.896 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE MD 1 92 LEU QB 7.640 . 8.390 2.415 2.134 2.711 . 0 0 "[ . 1 . 2]" 1
196 1 33 LEU QD 1 92 LEU QB 9.530 . 10.280 2.962 2.733 3.272 . 0 0 "[ . 1 . 2]" 1
197 1 91 ARG QD 1 95 ARG QB 6.930 . 7.680 4.318 2.694 5.566 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL QG 1 91 ARG QD . . 10.450 3.222 1.995 3.775 . 0 0 "[ . 1 . 2]" 1
199 1 89 LEU QB 1 90 ASN H 3.930 . 4.680 2.546 2.404 2.659 . 0 0 "[ . 1 . 2]" 1
200 1 51 LEU QB 1 52 SER H . . 5.800 2.765 2.408 3.632 . 0 0 "[ . 1 . 2]" 1
201 1 48 ALA HA 1 49 LYS QE 4.950 . 5.700 3.725 2.787 4.052 . 0 0 "[ . 1 . 2]" 1
202 1 39 THR MG 1 49 LYS QE 6.070 . 6.820 3.555 2.770 4.478 . 0 0 "[ . 1 . 2]" 1
203 1 45 ILE MG 1 49 LYS QE 7.410 . 8.160 3.796 2.560 5.513 . 0 0 "[ . 1 . 2]" 1
204 1 84 ASP H 1 84 ASP QB . . 3.890 2.373 2.128 2.842 . 0 0 "[ . 1 . 2]" 1
205 1 84 ASP QB 1 85 SER H 5.050 . 5.800 3.538 2.480 4.064 . 0 0 "[ . 1 . 2]" 1
206 1 47 ILE HA 1 50 LEU QB 6.170 . 6.920 2.333 2.104 2.523 . 0 0 "[ . 1 . 2]" 1
207 1 84 ASP QB 1 87 GLN QB . . 6.420 3.402 2.160 4.514 . 0 0 "[ . 1 . 2]" 1
208 1 84 ASP QB 1 88 ILE QG 7.060 . 7.810 3.767 2.132 5.611 . 0 0 "[ . 1 . 2]" 1
209 1 84 ASP QB 1 88 ILE MD . . 6.820 3.807 2.526 4.551 . 0 0 "[ . 1 . 2]" 1
210 1 33 LEU QB 1 34 GLU H . . 4.680 2.579 2.483 2.638 . 0 0 "[ . 1 . 2]" 1
211 1 73 ASP QB 1 74 LEU H 6.290 . 7.040 3.477 2.575 4.064 . 0 0 "[ . 1 . 2]" 1
212 1 30 GLN HA 1 33 LEU QB 6.360 . 6.420 2.531 2.388 2.705 . 0 0 "[ . 1 . 2]" 1
213 1 33 LEU QB 1 92 LEU QD 8.320 . 9.070 2.702 2.333 3.020 . 0 0 "[ . 1 . 2]" 1
214 1 15 ASP QB 1 16 GLU H . . 5.800 2.554 2.473 2.806 . 0 0 "[ . 1 . 2]" 1
215 1 19 ASP QB 1 20 ASN H 5.050 . 5.800 2.716 2.609 2.868 . 0 0 "[ . 1 . 2]" 1
216 1 14 VAL HB 1 15 ASP QB 9.580 . 10.330 3.248 3.153 3.345 . 0 0 "[ . 1 . 2]" 1
217 1 14 VAL QG 1 15 ASP QB 10.490 . 11.240 3.276 3.030 3.546 . 0 0 "[ . 1 . 2]" 1
218 1 24 TYR QB 1 25 THR H . . 4.680 2.625 2.557 2.713 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU QB 1 23 ARG H 6.170 . 6.920 2.463 2.396 2.615 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU QB 1 23 ARG QB 6.360 . 7.110 4.102 3.659 4.554 . 0 0 "[ . 1 . 2]" 1
221 1 24 TYR QB 1 25 THR MG 7.550 . 8.160 3.303 2.998 5.149 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE QG 1 24 TYR QB 6.930 . 7.680 3.951 3.716 4.134 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE HB 1 19 ASP H 4.500 . 5.250 2.734 2.584 2.830 . 0 0 "[ . 1 . 2]" 1
224 1 18 ILE H 1 18 ILE HB . . 4.250 2.298 2.210 2.440 . 0 0 "[ . 1 . 2]" 1
225 1 20 ASN QB 1 21 ILE H 5.050 . 5.800 2.643 2.527 2.893 . 0 0 "[ . 1 . 2]" 1
226 1 47 ILE HB 1 48 ALA H 4.500 . 5.250 4.011 3.968 4.042 . 0 0 "[ . 1 . 2]" 1
227 1 20 ASN QB 1 21 ILE MD . . 7.360 3.344 2.834 3.597 . 0 0 "[ . 1 . 2]" 1
228 1 44 ARG HA 1 47 ILE HB 5.500 . 6.250 5.224 5.105 5.360 . 0 0 "[ . 1 . 2]" 1
229 1 86 GLN QB 1 90 ASN QB 7.140 . 7.890 3.886 3.735 4.298 . 0 0 "[ . 1 . 2]" 1
230 1 22 LEU QD 1 32 PHE QB 5.300 . 6.050 2.860 2.411 3.124 . 0 0 "[ . 1 . 2]" 1
231 1 32 PHE QB 1 92 LEU QD . . 7.560 2.548 2.222 2.941 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE HB 1 22 LEU H . . 5.250 2.759 2.641 3.025 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE H 1 21 ILE HB 3.500 . 4.250 2.308 2.224 2.365 . 0 0 "[ . 1 . 2]" 1
234 1 90 ASN QB 1 91 ARG H 5.050 . 5.800 2.572 2.436 2.805 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE HB 1 32 PHE QE 6.170 . 6.920 3.061 2.868 3.674 . 0 0 "[ . 1 . 2]" 1
236 1 87 GLN HA 1 90 ASN QB 5.050 . 5.800 2.659 2.276 3.164 . 0 0 "[ . 1 . 2]" 1
237 1 89 LEU QB 1 90 ASN QB 7.140 . 7.890 3.827 3.696 4.038 . 0 0 "[ . 1 . 2]" 1
238 1 88 ILE H 1 88 ILE HB . . 4.250 2.405 2.180 2.705 . 0 0 "[ . 1 . 2]" 1
239 1 85 SER HA 1 88 ILE HB 5.670 . 6.420 2.873 2.500 3.316 . 0 0 "[ . 1 . 2]" 1
240 1 43 VAL QG 1 88 ILE HB 7.410 . 8.160 2.995 2.254 3.916 . 0 0 "[ . 1 . 2]" 1
241 1 45 ILE HB 1 46 ALA H 4.500 . 5.250 2.842 2.742 2.908 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLU QG 1 14 VAL H 7.780 . 8.530 3.839 3.220 4.139 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLU HA 1 13 GLU QG 3.140 . 3.890 2.513 2.325 2.908 . 0 0 "[ . 1 . 2]" 1
244 1 42 ARG QB 1 45 ILE HB 5.050 . 5.800 2.584 2.438 2.728 . 0 0 "[ . 1 . 2]" 1
245 1 44 ARG QG 1 45 ILE HB 6.220 . 6.970 3.843 3.710 3.994 . 0 0 "[ . 1 . 2]" 1
246 1 39 THR MG 1 45 ILE HB 5.400 . 6.150 2.859 2.388 3.400 . 0 0 "[ . 1 . 2]" 1
247 1 9 VAL QG 1 13 GLU QG 8.320 . 9.070 4.190 3.180 5.500 . 0 0 "[ . 1 . 2]" 1
248 1 16 GLU QG 1 17 ALA HA 3.930 . 4.680 3.568 3.549 3.630 . 0 0 "[ . 1 . 2]" 1
249 1 33 LEU QD 1 34 GLU QG 6.810 . 7.560 3.929 2.831 4.499 . 0 0 "[ . 1 . 2]" 1
250 1 34 GLU QG 1 37 GLU H 6.170 . 6.920 5.095 4.825 5.530 . 0 0 "[ . 1 . 2]" 1
251 1 91 ARG HA 1 94 GLU QG 5.050 . 5.800 3.494 3.013 4.128 . 0 0 "[ . 1 . 2]" 1
252 1 93 ARG QG 1 94 GLU QG 7.060 . 7.810 4.564 3.836 5.596 . 0 0 "[ . 1 . 2]" 1
253 1 32 PHE QD 1 36 MET QG 5.670 . 6.420 2.536 2.284 2.729 . 0 0 "[ . 1 . 2]" 1
254 1 32 PHE QE 1 36 MET QG 5.670 . 6.420 2.575 2.417 2.777 . 0 0 "[ . 1 . 2]" 1
255 1 33 LEU HA 1 36 MET QG 6.290 . 6.920 3.522 3.217 3.784 . 0 0 "[ . 1 . 2]" 1
256 1 36 MET QG 1 92 LEU QB . . 6.420 3.857 3.446 4.517 . 0 0 "[ . 1 . 2]" 1
257 1 36 MET QG 1 88 ILE MG . . 8.030 3.204 2.821 3.442 . 0 0 "[ . 1 . 2]" 1
258 1 36 MET QG 1 92 LEU QD 6.810 . 7.560 2.269 2.020 2.827 . 0 0 "[ . 1 . 2]" 1
259 1 28 THR H 1 31 GLN QG 6.170 . 6.920 3.573 2.895 4.140 . 0 0 "[ . 1 . 2]" 1
260 1 28 THR MG 1 31 GLN QG 7.410 . 8.160 3.235 2.169 4.491 . 0 0 "[ . 1 . 2]" 1
261 1 30 GLN H 1 30 GLN QG . . 4.680 2.283 2.103 2.411 . 0 0 "[ . 1 . 2]" 1
262 1 86 GLN H 1 86 GLN QG 3.930 . 4.680 2.335 2.034 2.578 . 0 0 "[ . 1 . 2]" 1
263 1 83 SER H 1 86 GLN QG 6.360 . 7.110 3.799 2.275 4.271 . 0 0 "[ . 1 . 2]" 1
264 1 30 GLN QG 1 96 VAL QG 7.640 . 8.390 2.944 2.126 4.620 . 0 0 "[ . 1 . 2]" 1
265 1 36 MET QB 1 92 LEU QB 7.060 . 7.680 4.356 3.917 4.716 . 0 0 "[ . 1 . 2]" 1
266 1 36 MET QB 1 37 GLU H . . 7.680 2.620 2.537 2.740 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU HA 1 36 MET QB 6.170 . 6.920 2.632 2.467 2.938 . 0 0 "[ . 1 . 2]" 1
268 1 36 MET QB 1 89 LEU QD 6.810 . 7.560 2.184 2.070 2.301 . 0 0 "[ . 1 . 2]" 1
269 1 43 VAL HB 1 44 ARG H 4.500 . 5.250 3.368 2.665 4.232 . 0 0 "[ . 1 . 2]" 1
270 1 76 VAL HB 1 77 LYS H . . 5.250 3.384 2.348 4.388 . 0 0 "[ . 1 . 2]" 1
271 1 43 VAL HB 1 85 SER HA 6.610 . 7.360 3.517 2.441 4.845 . 0 0 "[ . 1 . 2]" 1
272 1 45 ILE HA 1 49 LYS QB 4.950 . 5.700 2.786 2.580 3.043 . 0 0 "[ . 1 . 2]" 1
273 1 39 THR MG 1 49 LYS QB 6.070 . 6.820 3.118 2.330 3.693 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL HB 1 15 ASP H 3.530 . 4.280 2.307 2.203 2.566 . 0 0 "[ . 1 . 2]" 1
275 1 11 HIS HA 1 14 VAL HB 4.500 . 5.250 3.172 2.453 4.707 . 0 0 "[ . 1 . 2]" 1
276 1 18 ILE QG 1 32 PHE QE 6.930 . 7.680 2.783 2.286 4.157 . 0 0 "[ . 1 . 2]" 1
277 1 95 ARG QB 1 96 VAL H . . 5.800 2.743 2.475 3.778 . 0 0 "[ . 1 . 2]" 1
278 1 94 GLU QB 1 95 ARG H . . 5.800 2.490 2.278 2.721 . 0 0 "[ . 1 . 2]" 1
279 1 23 ARG QB 1 24 TYR H 5.050 . 5.800 2.682 2.523 3.684 . 0 0 "[ . 1 . 2]" 1
280 1 20 ASN HA 1 23 ARG QB 5.050 . 5.800 2.907 2.162 4.397 . 0 0 "[ . 1 . 2]" 1
281 1 12 ARG QB 1 13 GLU H 5.050 . 5.800 2.831 2.480 3.716 . 0 0 "[ . 1 . 2]" 1
282 1 93 ARG QB 1 94 GLU H 5.050 . 5.800 2.648 2.470 2.820 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE QG 1 47 ILE HB 5.050 . 5.800 4.488 3.978 4.550 . 0 0 "[ . 1 . 2]" 1
284 1 17 ALA MB 1 88 ILE QG 7.410 . 8.160 3.811 2.663 4.989 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE MG 1 47 ILE QG 7.410 . 8.160 4.520 4.459 4.597 . 0 0 "[ . 1 . 2]" 1
286 1 44 ARG H 1 47 ILE QG 5.050 . 5.800 4.448 4.418 4.511 . 0 0 "[ . 1 . 2]" 1
287 1 91 ARG QB 1 92 LEU H 5.050 . 5.800 2.901 2.659 3.097 . 0 0 "[ . 1 . 2]" 1
288 1 16 GLU QB 1 18 ILE H 7.780 . 8.530 4.482 4.428 4.511 . 0 0 "[ . 1 . 2]" 1
289 1 45 ILE H 1 47 ILE QG 5.050 . 5.800 4.515 4.484 4.535 . 0 0 "[ . 1 . 2]" 1
290 1 44 ARG HA 1 47 ILE QG 5.050 . 5.800 2.227 2.141 2.344 . 0 0 "[ . 1 . 2]" 1
291 1 93 ARG QB 1 94 GLU QG 5.670 . 6.420 3.510 3.302 3.695 . 0 0 "[ . 1 . 2]" 1
292 1 12 ARG QB 1 13 GLU QB 6.170 . 6.920 3.779 3.739 3.892 . 0 0 "[ . 1 . 2]" 1
293 1 49 LYS H 1 49 LYS QD 5.050 . 5.800 4.053 3.735 4.563 . 0 0 "[ . 1 . 2]" 1
294 1 16 GLU QB 1 17 ALA H . . 4.680 2.665 2.601 2.808 . 0 0 "[ . 1 . 2]" 1
295 1 39 THR MG 1 49 LYS QD 6.070 . 6.820 3.548 2.063 4.518 . 0 0 "[ . 1 . 2]" 1
296 1 53 LYS H 1 53 LYS QD 5.050 . 5.800 4.230 3.655 4.582 . 0 0 "[ . 1 . 2]" 1
297 1 14 VAL HA 1 16 GLU QB 6.360 . 7.110 4.355 4.125 4.538 . 0 0 "[ . 1 . 2]" 1
298 1 63 LYS QD 1 64 LEU HA 5.050 . 5.800 4.012 2.979 4.568 . 0 0 "[ . 1 . 2]" 1
299 1 50 LEU HA 1 53 LYS QD 8.320 . 9.070 4.417 2.632 5.704 . 0 0 "[ . 1 . 2]" 1
300 1 33 LEU QD 1 93 ARG QG 6.810 . 7.560 2.493 2.085 3.090 . 0 0 "[ . 1 . 2]" 1
301 1 31 GLN QB 1 32 PHE H . . 5.800 2.717 2.520 2.955 . 0 0 "[ . 1 . 2]" 1
302 1 28 THR H 1 31 GLN QB 5.050 . 5.800 2.443 2.072 2.824 . 0 0 "[ . 1 . 2]" 1
303 1 14 VAL QG 1 87 GLN QB 9.420 . 10.170 2.781 2.028 3.867 . 0 0 "[ . 1 . 2]" 1
304 1 31 GLN QB 1 50 LEU QD . . 7.560 2.529 2.084 3.926 . 0 0 "[ . 1 . 2]" 1
305 1 31 GLN QB 1 33 LEU QD 9.820 . 10.570 2.159 1.877 2.773 . 0 0 "[ . 1 . 2]" 1
306 1 30 GLN QB 1 96 VAL QG 8.320 . 9.070 3.481 2.508 4.247 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLN QB 1 31 GLN H 6.170 . 6.920 2.895 2.526 3.704 . 0 0 "[ . 1 . 2]" 1
308 1 44 ARG QG 1 45 ILE H 5.050 . 5.800 2.392 2.259 2.430 . 0 0 "[ . 1 . 2]" 1
309 1 44 ARG QG 1 45 ILE QG 4.410 . 5.160 2.253 2.188 2.536 . 0 0 "[ . 1 . 2]" 1
310 1 4 ILE H 1 5 LEU HG 4.410 . 5.160 2.807 1.977 3.442 . 0 0 "[ . 1 . 2]" 1
311 1 89 LEU H 1 89 LEU HG 5.500 . 6.250 4.488 4.436 4.536 . 0 0 "[ . 1 . 2]" 1
312 1 74 LEU H 1 74 LEU HG 4.500 . 5.250 3.493 2.017 4.605 . 0 0 "[ . 1 . 2]" 1
313 1 25 THR MG 1 51 LEU HG . . 6.150 2.498 2.209 4.514 . 0 0 "[ . 1 . 2]" 1
314 1 51 LEU H 1 51 LEU HG 3.500 . 4.250 2.558 2.455 2.670 . 0 0 "[ . 1 . 2]" 1
315 1 35 ALA H 1 92 LEU HG 5.050 . 5.800 4.121 3.649 4.662 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU QD 1 23 ARG QB 7.640 . 8.390 4.681 4.264 4.946 . 0 0 "[ . 1 . 2]" 1
317 1 14 VAL QG 1 91 ARG QG . . 8.680 2.247 1.983 3.294 . 0 0 "[ . 1 . 2]" 1
318 1 50 LEU H 1 50 LEU HG 4.500 . 5.250 3.499 2.409 4.520 . 0 0 "[ . 1 . 2]" 1
319 1 25 THR HA 1 51 LEU QD 8.900 . 9.650 2.199 2.051 2.560 . 0 0 "[ . 1 . 2]" 1
320 1 19 ASP H 1 22 LEU HG 5.050 . 5.800 4.287 2.114 4.437 . 0 0 "[ . 1 . 2]" 1
321 1 22 LEU HG 1 32 PHE QD 6.290 . 7.040 5.472 4.267 5.644 . 0 0 "[ . 1 . 2]" 1
322 1 22 LEU HG 1 23 ARG QB 5.670 . 6.420 4.948 4.507 5.151 . 0 0 "[ . 1 . 2]" 1
323 1 32 PHE QD 1 50 LEU QD 6.810 . 7.560 2.769 2.307 3.565 . 0 0 "[ . 1 . 2]" 1
324 1 45 ILE HA 1 49 LYS QG 6.360 . 7.110 3.698 3.258 4.715 . 0 0 "[ . 1 . 2]" 1
325 1 27 SER QB 1 50 LEU QD 6.810 . 7.560 2.222 2.053 2.531 . 0 0 "[ . 1 . 2]" 1
326 1 47 ILE HA 1 50 LEU QD 6.070 . 6.820 2.753 2.326 3.090 . 0 0 "[ . 1 . 2]" 1
327 1 35 ALA MB 1 50 LEU QD . . 8.030 2.157 1.837 2.409 . 0 0 "[ . 1 . 2]" 1
328 1 25 THR MG 1 50 LEU QD 7.280 . 8.030 2.374 2.105 3.165 . 0 0 "[ . 1 . 2]" 1
329 1 21 ILE MG 1 50 LEU QD 8.900 . 9.650 3.417 2.743 4.502 . 0 0 "[ . 1 . 2]" 1
330 1 32 PHE QD 1 92 LEU QD 6.810 . 7.560 2.487 2.248 2.724 . 0 0 "[ . 1 . 2]" 1
331 1 32 PHE QE 1 92 LEU QD . . 6.050 2.785 2.565 3.118 . 0 0 "[ . 1 . 2]" 1
332 1 49 LYS HA 1 53 LYS QG 5.940 . 6.690 3.793 2.883 4.265 . 0 0 "[ . 1 . 2]" 1
333 1 36 MET QB 1 92 LEU QD 8.320 . 9.070 2.729 2.324 3.045 . 0 0 "[ . 1 . 2]" 1
334 1 36 MET QG 1 92 LEU QD 7.280 . 8.030 2.218 2.014 2.601 . 0 0 "[ . 1 . 2]" 1
335 1 33 LEU QD 1 92 LEU QD 10.180 . 10.930 2.589 2.120 2.862 . 0 0 "[ . 1 . 2]" 1
336 1 88 ILE MG 1 92 LEU QD 7.280 . 8.030 3.255 2.860 4.091 . 0 0 "[ . 1 . 2]" 1
337 1 18 ILE MD 1 92 LEU QD 9.180 . 9.930 1.964 1.798 2.139 0.002 7 0 "[ . 1 . 2]" 1
338 1 33 LEU QD 1 93 ARG QB 5.940 . 6.690 2.320 2.063 2.652 . 0 0 "[ . 1 . 2]" 1
339 1 36 MET QB 1 89 LEU QD 7.640 . 8.390 2.173 2.042 2.296 . 0 0 "[ . 1 . 2]" 1
340 1 89 LEU QD 1 92 LEU QB 7.640 . 8.390 3.020 2.242 3.356 . 0 0 "[ . 1 . 2]" 1
341 1 51 LEU H 1 51 LEU QD 4.720 . 5.470 3.229 3.152 3.268 . 0 0 "[ . 1 . 2]" 1
342 1 43 VAL QG 1 44 ARG QB 8.320 . 9.070 3.765 3.191 4.263 . 0 0 "[ . 1 . 2]" 1
343 1 21 ILE HB 1 43 VAL QG . . 6.820 4.453 3.900 4.550 . 0 0 "[ . 1 . 2]" 1
344 1 43 VAL QG 1 44 ARG QG 8.320 . 9.070 4.319 3.764 4.757 . 0 0 "[ . 1 . 2]" 1
345 1 43 VAL QG 1 46 ALA MB 7.280 . 8.030 3.263 3.009 3.387 . 0 0 "[ . 1 . 2]" 1
346 1 25 THR MG 1 51 LEU QD 7.280 . 8.030 2.675 2.199 3.033 . 0 0 "[ . 1 . 2]" 1
347 1 21 ILE QG 1 43 VAL QG 7.930 . 8.680 2.632 2.063 2.931 . 0 0 "[ . 1 . 2]" 1
348 1 22 LEU QD 1 29 GLU H 7.550 . 8.300 2.684 2.409 2.893 . 0 0 "[ . 1 . 2]" 1
349 1 22 LEU QD 1 32 PHE H 7.410 . 8.160 3.980 3.579 4.346 . 0 0 "[ . 1 . 2]" 1
350 1 22 LEU QD 1 28 THR H 7.550 . 8.300 3.892 3.437 4.388 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU QD 1 27 SER H 7.550 . 8.160 3.472 3.121 4.273 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU QD 1 23 ARG H 7.550 . 8.160 3.839 3.732 3.989 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU QD 1 32 PHE QD 6.810 . 7.560 2.790 2.250 3.035 . 0 0 "[ . 1 . 2]" 1
354 1 22 LEU QD 1 31 GLN QB 8.320 . 9.070 4.582 4.189 5.169 . 0 0 "[ . 1 . 2]" 1
355 1 14 VAL QG 1 91 ARG QG 6.810 . 7.560 2.636 2.107 4.340 . 0 0 "[ . 1 . 2]" 1
356 1 14 VAL QG 1 17 ALA MB 7.280 . 8.030 3.259 2.947 3.501 . 0 0 "[ . 1 . 2]" 1
357 1 24 TYR H 1 25 THR MG 7.410 . 8.160 3.611 3.465 3.789 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR MG 1 50 LEU QB 6.070 . 6.820 2.492 2.022 2.879 . 0 0 "[ . 1 . 2]" 1
359 1 29 GLU QB 1 96 VAL QG 6.810 . 7.560 2.149 1.919 2.840 . 0 0 "[ . 1 . 2]" 1
360 1 25 THR MG 1 51 LEU QB 6.070 . 6.820 4.203 2.768 4.505 . 0 0 "[ . 1 . 2]" 1
361 1 33 LEU HG 1 96 VAL QG 6.810 . 7.560 2.277 2.022 2.478 . 0 0 "[ . 1 . 2]" 1
362 1 33 LEU QB 1 96 VAL QG 6.810 . 7.560 2.025 1.941 2.092 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR MG 1 47 ILE MG 6.490 . 7.240 2.483 2.185 2.828 . 0 0 "[ . 1 . 2]" 1
364 1 21 ILE MG 1 25 THR MG 6.490 . 7.240 2.451 2.282 3.796 . 0 0 "[ . 1 . 2]" 1
365 1 43 VAL QG 1 44 ARG H . . 6.820 2.897 2.343 3.403 . 0 0 "[ . 1 . 2]" 1
366 1 55 THR MG 1 56 SER H 5.400 . 6.150 3.744 2.342 4.418 . 0 0 "[ . 1 . 2]" 1
367 1 55 THR MG 1 56 SER QB 7.640 . 8.390 3.826 2.772 4.564 . 0 0 "[ . 1 . 2]" 1
368 1 54 GLN QB 1 55 THR MG 6.070 . 6.820 4.248 2.543 4.543 . 0 0 "[ . 1 . 2]" 1
369 1 28 THR MG 1 29 GLU H . . 6.150 3.840 3.542 4.009 . 0 0 "[ . 1 . 2]" 1
370 1 28 THR MG 1 30 GLN H 6.730 . 7.360 3.863 2.781 4.603 . 0 0 "[ . 1 . 2]" 1
371 1 43 VAL QG 1 45 ILE H 7.410 . 8.160 4.580 4.338 4.795 . 0 0 "[ . 1 . 2]" 1
372 1 14 VAL QG 1 88 ILE HA 6.070 . 6.820 2.633 2.198 3.577 . 0 0 "[ . 1 . 2]" 1
373 1 43 VAL QG 1 47 ILE QG 8.320 . 9.070 3.505 3.405 3.606 . 0 0 "[ . 1 . 2]" 1
374 1 14 VAL QG 1 91 ARG QB 6.810 . 7.560 2.275 2.011 2.918 . 0 0 "[ . 1 . 2]" 1
375 1 76 VAL QG 1 77 LYS H 4.720 . 4.990 2.935 2.229 3.218 . 0 0 "[ . 1 . 2]" 1
376 1 36 MET H 1 46 ALA MB 6.070 . 6.820 2.417 2.361 2.483 . 0 0 "[ . 1 . 2]" 1
377 1 35 ALA MB 1 36 MET H 5.400 . 6.150 2.622 2.509 2.701 . 0 0 "[ . 1 . 2]" 1
378 1 32 PHE QD 1 35 ALA MB 6.070 . 6.820 2.952 2.701 3.187 . 0 0 "[ . 1 . 2]" 1
379 1 32 PHE QE 1 46 ALA MB 6.070 . 6.820 2.801 2.349 3.085 . 0 0 "[ . 1 . 2]" 1
380 1 35 ALA MB 1 38 SER QB 6.810 . 7.560 4.039 3.661 4.784 . 0 0 "[ . 1 . 2]" 1
381 1 36 MET HA 1 46 ALA MB 5.400 . 6.150 2.469 2.282 2.657 . 0 0 "[ . 1 . 2]" 1
382 1 35 ALA MB 1 46 ALA HA 5.400 . 6.150 2.617 2.435 3.043 . 0 0 "[ . 1 . 2]" 1
383 1 36 MET QG 1 46 ALA MB 7.070 . 7.820 2.389 2.088 2.626 . 0 0 "[ . 1 . 2]" 1
384 1 35 ALA MB 1 49 LYS QB 6.810 . 7.560 2.753 2.306 3.590 . 0 0 "[ . 1 . 2]" 1
385 1 31 GLN QB 1 35 ALA MB 6.490 . 7.240 3.205 2.271 4.246 . 0 0 "[ . 1 . 2]" 1
386 1 35 ALA MB 1 46 ALA MB 5.050 . 5.800 2.489 2.356 2.702 . 0 0 "[ . 1 . 2]" 1
387 1 35 ALA MB 1 39 THR MG 7.930 . 8.680 3.536 3.233 3.758 . 0 0 "[ . 1 . 2]" 1
388 1 17 ALA MB 1 21 ILE QG 7.410 . 8.160 4.196 3.909 4.960 . 0 0 "[ . 1 . 2]" 1
389 1 45 ILE MG 1 46 ALA H . . 6.150 3.793 3.712 3.846 . 0 0 "[ . 1 . 2]" 1
390 1 46 ALA H 1 48 ALA MB 5.400 . 6.150 4.580 4.563 4.592 . 0 0 "[ . 1 . 2]" 1
391 1 48 ALA MB 1 49 LYS H 5.400 . 6.150 2.519 2.439 2.565 . 0 0 "[ . 1 . 2]" 1
392 1 45 ILE MG 1 49 LYS H 6.730 . 7.480 3.839 3.751 3.955 . 0 0 "[ . 1 . 2]" 1
393 1 45 ILE HA 1 48 ALA MB 3.360 . 4.110 2.238 2.131 2.300 . 0 0 "[ . 1 . 2]" 1
394 1 45 ILE MG 1 49 LYS QD 6.070 . 6.820 3.797 2.572 4.541 . 0 0 "[ . 1 . 2]" 1
395 1 39 THR MG 1 45 ILE MG 5.050 . 5.800 2.102 2.053 2.192 . 0 0 "[ . 1 . 2]" 1
396 1 18 ILE MG 1 19 ASP H 7.410 . 8.160 2.959 2.846 3.093 . 0 0 "[ . 1 . 2]" 1
397 1 18 ILE MG 1 32 PHE QD 6.070 . 6.820 2.936 2.339 3.399 . 0 0 "[ . 1 . 2]" 1
398 1 21 ILE MG 1 22 LEU H 6.610 . 7.360 3.082 2.827 3.231 . 0 0 "[ . 1 . 2]" 1
399 1 21 ILE MG 1 23 ARG H 7.550 . 8.300 3.735 3.639 3.819 . 0 0 "[ . 1 . 2]" 1
400 1 21 ILE MG 1 32 PHE QE 6.070 . 6.820 2.752 2.565 2.876 . 0 0 "[ . 1 . 2]" 1
401 1 18 ILE HB 1 88 ILE MG 6.490 . 7.240 3.637 3.248 4.036 . 0 0 "[ . 1 . 2]" 1
402 1 21 ILE MG 1 50 LEU QB 7.410 . 8.160 4.652 4.211 5.521 . 0 0 "[ . 1 . 2]" 1
403 1 88 ILE MG 1 92 LEU H 6.610 . 7.360 4.037 3.790 4.294 . 0 0 "[ . 1 . 2]" 1
404 1 88 ILE MG 1 89 LEU H 5.400 . 6.150 3.215 2.806 3.484 . 0 0 "[ . 1 . 2]" 1
405 1 32 PHE QE 1 88 ILE MG 6.070 . 6.820 3.406 2.949 4.176 . 0 0 "[ . 1 . 2]" 1
406 1 88 ILE MG 1 89 LEU HA 4.200 . 4.950 3.443 3.212 3.551 . 0 0 "[ . 1 . 2]" 1
407 1 18 ILE H 1 18 ILE MD 5.400 . 6.150 3.466 3.275 3.659 . 0 0 "[ . 1 . 2]" 1
408 1 21 ILE MG 1 47 ILE MD 6.490 . 7.240 3.655 3.490 3.820 . 0 0 "[ . 1 . 2]" 1
409 1 15 ASP HA 1 18 ILE MD 6.610 . 7.360 2.824 2.306 4.879 . 0 0 "[ . 1 . 2]" 1
410 1 14 VAL HA 1 18 ILE MD 7.410 . 8.160 2.639 2.283 3.219 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE MD 1 88 ILE HA 5.400 . 6.150 2.701 2.305 3.653 . 0 0 "[ . 1 . 2]" 1
412 1 18 ILE HA 1 21 ILE MD 5.400 . 6.150 3.009 2.649 3.740 . 0 0 "[ . 1 . 2]" 1
413 1 88 ILE H 1 88 ILE MD 5.400 . 6.150 3.166 2.151 3.767 . 0 0 "[ . 1 . 2]" 1
414 1 18 ILE MD 1 92 LEU H 5.400 . 6.150 2.791 2.519 3.281 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE MG 1 19 ASP HA 6.610 . 7.360 3.293 3.163 3.430 . 0 0 "[ . 1 . 2]" 1
416 1 44 ARG QG 1 45 ILE MD 6.810 . 7.560 3.201 2.240 3.588 . 0 0 "[ . 1 . 2]" 1
417 1 103 SER HA 1 104 ALA H 5.500 . 6.250 2.602 2.222 3.511 . 0 0 "[ . 1 . 2]" 1
418 1 24 TYR H 1 25 THR H 4.500 . 5.250 2.836 2.713 2.929 . 0 0 "[ . 1 . 2]" 1
419 1 22 LEU HA 1 25 THR H 5.500 . 6.250 3.911 3.536 4.053 . 0 0 "[ . 1 . 2]" 1
420 1 21 ILE HA 1 25 THR H 5.600 . 6.350 3.744 3.639 3.907 . 0 0 "[ . 1 . 2]" 1
421 1 43 VAL H 1 44 ARG H 4.500 . 5.250 3.012 2.898 3.102 . 0 0 "[ . 1 . 2]" 1
422 1 43 VAL H 1 85 SER HA 5.400 . 6.150 2.869 2.492 3.365 . 0 0 "[ . 1 . 2]" 1
423 1 100 THR MG 1 101 ALA H 5.400 . 6.150 3.813 2.425 4.359 . 0 0 "[ . 1 . 2]" 1
424 1 44 ARG H 1 46 ALA H 5.600 . 6.350 4.194 4.110 4.267 . 0 0 "[ . 1 . 2]" 1
425 1 43 VAL H 1 46 ALA H 5.050 . 5.800 2.858 2.791 2.909 . 0 0 "[ . 1 . 2]" 1
426 1 46 ALA H 1 48 ALA H 5.600 . 6.350 4.163 4.084 4.201 . 0 0 "[ . 1 . 2]" 1
427 1 45 ILE H 1 46 ALA H 3.500 . 4.250 2.468 2.442 2.501 . 0 0 "[ . 1 . 2]" 1
428 1 39 THR HB 1 46 ALA H 5.600 . 6.350 3.983 3.812 4.149 . 0 0 "[ . 1 . 2]" 1
429 1 42 ARG QB 1 46 ALA H 5.400 . 6.150 2.759 2.687 2.823 . 0 0 "[ . 1 . 2]" 1
430 1 42 ARG QB 1 46 ALA H 5.050 . 5.800 3.738 3.628 3.893 . 0 0 "[ . 1 . 2]" 1
431 1 44 ARG QG 1 46 ALA H 5.050 . 5.800 4.503 4.380 4.553 . 0 0 "[ . 1 . 2]" 1
432 1 39 THR MG 1 46 ALA H 5.400 . 6.150 3.317 2.934 3.646 . 0 0 "[ . 1 . 2]" 1
433 1 3 SER HA 1 4 ILE H 4.500 . 5.250 2.298 2.105 2.531 . 0 0 "[ . 1 . 2]" 1
434 1 20 ASN H 1 22 LEU H 4.500 . 5.250 4.200 4.119 4.297 . 0 0 "[ . 1 . 2]" 1
435 1 21 ILE H 1 22 LEU H 4.500 . 5.250 2.713 2.656 2.758 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU H 1 23 ARG H 4.500 . 5.250 2.895 2.749 2.972 . 0 0 "[ . 1 . 2]" 1
437 1 19 ASP HA 1 22 LEU H 4.500 . 5.250 3.356 3.211 3.512 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU H 1 22 LEU HG 4.500 . 5.250 4.323 2.119 4.477 . 0 0 "[ . 1 . 2]" 1
439 1 77 LYS H 1 77 LYS QG 3.140 . 3.890 2.473 2.096 2.835 . 0 0 "[ . 1 . 2]" 1
440 1 19 ASP H 1 21 ILE H 5.050 . 5.800 2.687 2.637 2.726 . 0 0 "[ . 1 . 2]" 1
441 1 18 ILE H 1 21 ILE H 5.050 . 5.800 2.785 2.687 2.856 . 0 0 "[ . 1 . 2]" 1
442 1 73 ASP H 1 74 LEU H 5.050 . 5.800 3.558 2.551 4.076 . 0 0 "[ . 1 . 2]" 1
443 1 71 ARG HA 1 72 LYS H 3.500 . 4.250 2.786 2.151 3.486 . 0 0 "[ . 1 . 2]" 1
444 1 17 ALA H 1 18 ILE H 4.500 . 5.250 2.786 2.743 2.856 . 0 0 "[ . 1 . 2]" 1
445 1 16 GLU H 1 17 ALA H 4.500 . 5.250 2.827 2.773 2.884 . 0 0 "[ . 1 . 2]" 1
446 1 14 VAL HA 1 17 ALA H 4.500 . 5.250 3.277 3.065 3.475 . 0 0 "[ . 1 . 2]" 1
447 1 9 VAL QG 1 10 ASN H 6.070 . 6.820 3.000 2.407 3.780 . 0 0 "[ . 1 . 2]" 1
448 1 24 TYR H 1 26 ASN H 5.500 . 6.250 4.029 3.835 4.288 . 0 0 "[ . 1 . 2]" 1
449 1 26 ASN H 1 27 SER H 2.800 . 3.550 2.840 2.795 2.881 . 0 0 "[ . 1 . 2]" 1
450 1 23 ARG HA 1 26 ASN H 4.500 . 5.250 3.448 2.959 3.770 . 0 0 "[ . 1 . 2]" 1
451 1 25 THR HA 1 26 ASN H 5.600 . 6.350 3.384 3.315 3.471 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU HA 1 26 ASN H 5.600 . 6.350 4.693 4.367 5.000 . 0 0 "[ . 1 . 2]" 1
453 1 35 ALA H 1 36 MET H 4.500 . 5.250 2.786 2.699 2.887 . 0 0 "[ . 1 . 2]" 1
454 1 33 LEU H 1 34 GLU H 4.500 . 5.250 2.843 2.779 2.915 . 0 0 "[ . 1 . 2]" 1
455 1 34 GLU H 1 35 ALA H 4.500 . 5.250 2.845 2.802 2.881 . 0 0 "[ . 1 . 2]" 1
456 1 92 LEU H 1 93 ARG H 4.500 . 5.250 2.711 2.631 2.786 . 0 0 "[ . 1 . 2]" 1
457 1 91 ARG H 1 92 LEU H 4.500 . 5.250 2.746 2.678 2.815 . 0 0 "[ . 1 . 2]" 1
458 1 32 PHE QD 1 33 LEU H 6.290 . 7.040 4.319 4.230 4.429 . 0 0 "[ . 1 . 2]" 1
459 1 34 GLU HA 1 35 ALA H 3.500 . 4.250 3.586 3.576 3.598 . 0 0 "[ . 1 . 2]" 1
460 1 88 ILE HA 1 92 LEU H 5.600 . 6.350 3.836 3.703 3.953 . 0 0 "[ . 1 . 2]" 1
461 1 34 GLU QB 1 35 ALA H 3.930 . 4.680 2.659 2.607 2.731 . 0 0 "[ . 1 . 2]" 1
462 1 33 LEU H 1 96 VAL QG 6.070 . 6.820 3.299 3.082 3.659 . 0 0 "[ . 1 . 2]" 1
463 1 33 LEU H 1 92 LEU QD 6.070 . 6.820 2.925 2.683 3.286 . 0 0 "[ . 1 . 2]" 1
464 1 32 PHE QB 1 33 LEU H 5.050 . 5.800 2.661 2.599 2.767 . 0 0 "[ . 1 . 2]" 1
465 1 31 GLN H 1 32 PHE H 4.500 . 5.250 2.685 2.497 2.811 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU HA 1 32 PHE H 4.500 . 5.250 3.199 2.736 3.416 . 0 0 "[ . 1 . 2]" 1
467 1 8 SER HA 1 9 VAL H 4.500 . 5.250 2.471 2.169 3.560 . 0 0 "[ . 1 . 2]" 1
468 1 85 SER H 1 86 GLN H 5.050 . 5.800 2.504 2.351 2.673 . 0 0 "[ . 1 . 2]" 1
469 1 75 SER H 1 76 VAL H 5.600 . 6.350 4.102 2.720 4.675 . 0 0 "[ . 1 . 2]" 1
470 1 88 ILE QG 1 89 LEU H 5.050 . 5.800 4.295 4.003 4.626 . 0 0 "[ . 1 . 2]" 1
471 1 85 SER HA 1 89 LEU H 5.050 . 5.800 3.218 3.036 3.333 . 0 0 "[ . 1 . 2]" 1
472 1 88 ILE HA 1 89 LEU H 5.500 . 6.250 3.632 3.599 3.658 . 0 0 "[ . 1 . 2]" 1
473 1 29 GLU H 1 30 GLN H 4.500 . 5.250 2.778 2.686 2.927 . 0 0 "[ . 1 . 2]" 1
474 1 47 ILE H 1 48 ALA H 4.500 . 5.250 2.775 2.750 2.813 . 0 0 "[ . 1 . 2]" 1
475 1 48 ALA H 1 49 LYS H 4.500 . 5.250 2.942 2.898 3.010 . 0 0 "[ . 1 . 2]" 1
476 1 72 LYS HA 1 73 ASP H 4.500 . 5.250 2.622 2.171 3.541 . 0 0 "[ . 1 . 2]" 1
477 1 45 ILE HA 1 48 ALA H 5.050 . 5.800 3.327 3.217 3.391 . 0 0 "[ . 1 . 2]" 1
478 1 29 GLU H 1 30 GLN QG 5.050 . 5.800 4.351 4.005 4.508 . 0 0 "[ . 1 . 2]" 1
479 1 47 ILE MG 1 48 ALA H 5.400 . 6.150 4.083 4.045 4.124 . 0 0 "[ . 1 . 2]" 1
480 1 18 ILE H 1 19 ASP H 5.050 . 5.800 2.535 2.475 2.563 . 0 0 "[ . 1 . 2]" 1
481 1 18 ILE MG 1 19 ASP H 5.400 . 6.150 3.044 2.907 3.212 . 0 0 "[ . 1 . 2]" 1
482 1 13 GLU H 1 14 VAL H 4.500 . 5.250 2.712 2.534 2.964 . 0 0 "[ . 1 . 2]" 1
483 1 13 GLU HA 1 14 VAL H 4.500 . 5.250 3.600 3.566 3.654 . 0 0 "[ . 1 . 2]" 1
484 1 18 ILE HA 1 19 ASP H 5.500 . 6.250 3.631 3.609 3.665 . 0 0 "[ . 1 . 2]" 1
485 1 13 GLU QG 1 14 VAL H 6.170 . 6.920 3.951 3.245 4.325 . 0 0 "[ . 1 . 2]" 1
486 1 13 GLU QB 1 14 VAL H 4.200 . 4.950 2.331 2.176 2.623 . 0 0 "[ . 1 . 2]" 1
487 1 50 LEU HA 1 53 LYS H 5.400 . 6.150 3.173 2.534 3.625 . 0 0 "[ . 1 . 2]" 1
488 1 53 LYS H 1 54 GLN H 5.600 . 6.250 2.885 2.526 3.830 . 0 0 "[ . 1 . 2]" 1
489 1 52 SER H 1 53 LYS H 4.500 . 5.250 2.786 2.377 3.015 . 0 0 "[ . 1 . 2]" 1
490 1 79 MET HA 1 80 LEU H 4.500 . 5.250 2.676 2.133 3.511 . 0 0 "[ . 1 . 2]" 1
491 1 80 LEU H 1 80 LEU HG 4.500 . 5.250 4.060 2.989 4.554 . 0 0 "[ . 1 . 2]" 1
492 1 90 ASN H 1 91 ARG H 4.500 . 5.250 2.972 2.845 3.082 . 0 0 "[ . 1 . 2]" 1
493 1 37 GLU H 1 38 SER H 4.500 . 5.250 2.762 2.684 2.871 . 0 0 "[ . 1 . 2]" 1
494 1 36 MET H 1 37 GLU H 4.500 . 5.250 2.783 2.719 2.832 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLU HA 1 37 GLU H 5.050 . 5.800 3.137 3.042 3.188 . 0 0 "[ . 1 . 2]" 1
496 1 36 MET QB 1 37 GLU H 5.670 . 6.420 2.654 2.565 2.803 . 0 0 "[ . 1 . 2]" 1
497 1 37 GLU H 1 89 LEU QD 6.070 . 6.820 4.111 3.477 4.505 . 0 0 "[ . 1 . 2]" 1
498 1 95 ARG H 1 96 VAL H 4.500 . 5.250 2.882 2.805 2.941 . 0 0 "[ . 1 . 2]" 1
499 1 94 GLU H 1 95 ARG H 4.500 . 5.250 2.857 2.780 2.964 . 0 0 "[ . 1 . 2]" 1
500 1 81 TYR HA 1 82 ASP H 4.500 . 5.250 2.691 2.254 3.562 . 0 0 "[ . 1 . 2]" 1
501 1 91 ARG HA 1 95 ARG H 5.600 . 6.350 3.765 3.642 3.962 . 0 0 "[ . 1 . 2]" 1
502 1 45 ILE HA 1 49 LYS H 5.050 . 5.800 3.257 3.145 3.340 . 0 0 "[ . 1 . 2]" 1
503 1 48 ALA MB 1 49 LYS H 4.580 . 5.330 2.300 2.147 2.522 . 0 0 "[ . 1 . 2]" 1
504 1 94 GLU H 1 96 VAL H 5.600 . 6.350 4.342 4.195 4.432 . 0 0 "[ . 1 . 2]" 1
505 1 93 ARG H 1 94 GLU H 4.500 . 5.250 2.758 2.688 2.840 . 0 0 "[ . 1 . 2]" 1
506 1 23 ARG H 1 24 TYR H 3.930 . 4.680 2.494 2.409 2.570 . 0 0 "[ . 1 . 2]" 1
507 1 52 SER HA 1 54 GLN H 4.500 . 5.250 3.906 3.429 4.540 . 0 0 "[ . 1 . 2]" 1
508 1 92 LEU HA 1 94 GLU H 5.050 . 5.800 3.486 3.438 3.518 . 0 0 "[ . 1 . 2]" 1
509 1 93 ARG QB 1 94 GLU H 5.670 . 6.420 2.608 2.439 2.769 . 0 0 "[ . 1 . 2]" 1
510 1 93 ARG QG 1 94 GLU H 6.170 . 6.920 3.944 3.660 4.397 . 0 0 "[ . 1 . 2]" 1
511 1 41 GLY H 1 42 ARG H 4.500 . 5.250 2.711 2.610 2.804 . 0 0 "[ . 1 . 2]" 1
512 1 36 MET HA 1 42 ARG H 5.880 . 6.630 2.806 2.487 2.869 . 0 0 "[ . 1 . 2]" 1
513 1 41 GLY QA 1 42 ARG H 5.670 . 6.420 2.898 2.565 2.970 . 0 0 "[ . 1 . 2]" 1
514 1 19 ASP H 1 20 ASN H 5.050 . 5.800 2.783 2.705 2.823 . 0 0 "[ . 1 . 2]" 1
515 1 28 THR H 1 31 GLN H 5.500 . 6.250 3.767 3.507 4.121 . 0 0 "[ . 1 . 2]" 1
516 1 20 ASN H 1 21 ILE H 4.500 . 5.250 2.803 2.702 2.878 . 0 0 "[ . 1 . 2]" 1
517 1 30 GLN QG 1 31 GLN H 4.410 . 5.160 2.607 2.240 3.613 . 0 0 "[ . 1 . 2]" 1
518 1 34 GLU H 1 36 MET H 5.600 . 6.350 4.313 4.224 4.405 . 0 0 "[ . 1 . 2]" 1
519 1 33 LEU HA 1 34 GLU H 5.500 . 6.250 3.586 3.574 3.596 . 0 0 "[ . 1 . 2]" 1
520 1 33 LEU HG 1 34 GLU H 5.500 . 6.250 4.831 4.739 4.911 . 0 0 "[ . 1 . 2]" 1
521 1 33 LEU QD 1 34 GLU H 6.070 . 6.820 3.119 3.038 3.215 . 0 0 "[ . 1 . 2]" 1
522 1 51 LEU H 1 52 SER H 3.500 . 4.250 2.673 2.561 2.787 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLN H 1 34 GLU H 5.500 . 6.250 4.722 4.631 4.806 . 0 0 "[ . 1 . 2]" 1
524 1 49 LYS HA 1 51 LEU H 4.500 . 5.250 4.432 4.208 4.532 . 0 0 "[ . 1 . 2]" 1
525 1 50 LEU QB 1 51 LEU H 5.050 . 5.800 2.738 2.585 2.882 . 0 0 "[ . 1 . 2]" 1
526 1 25 THR MG 1 51 LEU H 6.610 . 7.360 3.798 3.487 4.072 . 0 0 "[ . 1 . 2]" 1
527 1 43 VAL H 1 44 ARG H 6.170 . 6.920 2.984 2.877 3.068 . 0 0 "[ . 1 . 2]" 1
528 1 86 GLN H 1 87 GLN H 4.500 . 5.250 2.733 2.583 2.956 . 0 0 "[ . 1 . 2]" 1
529 1 44 ARG H 1 45 ILE H 4.500 . 5.250 2.828 2.748 2.868 . 0 0 "[ . 1 . 2]" 1
530 1 42 ARG HA 1 44 ARG H 5.600 . 6.350 3.965 3.762 4.283 . 0 0 "[ . 1 . 2]" 1
531 1 43 VAL H 1 45 ILE H 6.290 . 7.040 3.897 3.864 3.932 . 0 0 "[ . 1 . 2]" 1
532 1 39 THR HB 1 45 ILE H 6.170 . 6.920 4.085 3.960 4.308 . 0 0 "[ . 1 . 2]" 1
533 1 102 GLN HA 1 103 SER H 4.500 . 5.250 2.884 2.174 3.540 . 0 0 "[ . 1 . 2]" 1
534 1 30 GLN H 1 31 GLN H 4.500 . 5.250 2.730 2.651 2.787 . 0 0 "[ . 1 . 2]" 1
535 1 18 ILE H 1 19 ASP H 4.500 . 5.250 2.868 2.817 2.945 . 0 0 "[ . 1 . 2]" 1
536 1 15 ASP HA 1 18 ILE H 4.500 . 5.250 3.478 3.260 3.704 . 0 0 "[ . 1 . 2]" 1
537 1 17 ALA HA 1 18 ILE H 5.500 . 6.250 3.608 3.594 3.629 . 0 0 "[ . 1 . 2]" 1
538 1 96 VAL H 1 97 SER H 5.050 . 5.800 2.534 2.398 2.732 . 0 0 "[ . 1 . 2]" 1
539 1 96 VAL H 1 96 VAL HB 3.500 . 4.250 2.464 2.345 2.605 . 0 0 "[ . 1 . 2]" 1
540 1 95 ARG QB 1 96 VAL H 5.670 . 6.420 2.568 2.315 2.725 . 0 0 "[ . 1 . 2]" 1
541 1 17 ALA MB 1 18 ILE H 5.400 . 6.150 2.593 2.547 2.677 . 0 0 "[ . 1 . 2]" 1
542 1 23 ARG H 1 24 TYR H 4.500 . 5.250 2.768 2.696 2.881 . 0 0 "[ . 1 . 2]" 1
543 1 19 ASP HA 1 23 ARG H 5.500 . 6.250 3.907 3.778 4.171 . 0 0 "[ . 1 . 2]" 1
544 1 22 LEU HA 1 23 ARG H 5.500 . 6.250 3.605 3.552 3.630 . 0 0 "[ . 1 . 2]" 1
545 1 74 LEU QD 1 75 SER H 6.070 . 6.820 3.476 2.201 4.477 . 0 0 "[ . 1 . 2]" 1
546 1 74 LEU QB 1 75 SER H 5.050 . 5.800 2.852 1.955 4.059 . 0 0 "[ . 1 . 2]" 1
547 1 46 ALA H 1 47 ILE H 4.500 . 5.250 2.880 2.810 2.933 . 0 0 "[ . 1 . 2]" 1
548 1 47 ILE H 1 49 LYS H 6.290 . 7.040 4.027 3.956 4.109 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE H 1 47 ILE H 5.500 . 6.250 4.263 4.239 4.318 . 0 0 "[ . 1 . 2]" 1
550 1 43 VAL HA 1 47 ILE H 5.400 . 6.150 3.265 3.210 3.330 . 0 0 "[ . 1 . 2]" 1
551 1 46 ALA MB 1 47 ILE H 5.400 . 6.150 2.484 2.409 2.550 . 0 0 "[ . 1 . 2]" 1
552 1 90 ASN HA 1 93 ARG H 5.500 . 6.250 3.615 3.235 3.932 . 0 0 "[ . 1 . 2]" 1
553 1 93 ARG H 1 94 GLU QG 5.050 . 5.800 4.561 4.528 4.609 . 0 0 "[ . 1 . 2]" 1
554 1 90 ASN H 1 92 LEU H 5.500 . 6.250 4.261 4.128 4.340 . 0 0 "[ . 1 . 2]" 1
555 1 87 GLN HA 1 90 ASN H 4.500 . 5.250 3.492 3.081 3.827 . 0 0 "[ . 1 . 2]" 1
556 1 89 LEU QD 1 90 ASN H 6.070 . 6.820 3.759 2.954 3.977 . 0 0 "[ . 1 . 2]" 1
557 1 94 GLU HA 1 99 SER H 5.400 . 6.150 2.450 2.131 2.984 . 0 0 "[ . 1 . 2]" 1
558 1 99 SER QB 1 100 THR H 5.050 . 5.800 3.140 2.008 3.938 . 0 0 "[ . 1 . 2]" 1
559 1 96 VAL H 1 97 SER H 4.500 . 5.250 2.563 2.422 2.772 . 0 0 "[ . 1 . 2]" 1
560 1 96 VAL HB 1 97 SER H 4.500 . 5.250 2.964 2.683 4.073 . 0 0 "[ . 1 . 2]" 1
561 1 96 VAL QG 1 97 SER H 6.810 . 7.560 3.209 2.229 3.458 . 0 0 "[ . 1 . 2]" 1
562 1 49 LYS H 1 52 SER H 6.290 . 7.040 3.984 3.841 4.176 . 0 0 "[ . 1 . 2]" 1
563 1 38 SER H 1 39 THR H 4.500 . 5.250 2.744 2.657 2.837 . 0 0 "[ . 1 . 2]" 1
564 1 37 GLU QB 1 38 SER H 5.050 . 5.800 2.637 2.493 2.872 . 0 0 "[ . 1 . 2]" 1
565 1 40 GLY H 1 41 GLY H 4.500 . 5.250 2.552 2.434 2.666 . 0 0 "[ . 1 . 2]" 1
566 1 39 THR H 1 40 GLY H 4.500 . 5.250 2.449 2.333 2.557 . 0 0 "[ . 1 . 2]" 1
567 1 39 THR HA 1 40 GLY H 4.500 . 5.250 3.312 3.252 3.369 . 0 0 "[ . 1 . 2]" 1
568 1 37 GLU HA 1 40 GLY H 5.600 . 6.350 3.633 3.438 3.822 . 0 0 "[ . 1 . 2]" 1
569 1 36 MET HA 1 40 GLY H 4.500 . 5.250 4.536 4.388 4.581 . 0 0 "[ . 1 . 2]" 1
570 1 39 THR MG 1 40 GLY H 6.730 . 7.480 4.354 4.297 4.393 . 0 0 "[ . 1 . 2]" 1
571 1 27 SER QB 1 28 THR H 5.050 . 5.800 2.410 2.131 3.072 . 0 0 "[ . 1 . 2]" 1
572 1 37 GLU H 1 39 THR H 6.170 . 6.920 3.383 3.296 3.478 . 0 0 "[ . 1 . 2]" 1
573 1 64 LEU HA 1 65 GLY H 5.500 . 6.250 2.515 2.158 3.376 . 0 0 "[ . 1 . 2]" 1
574 1 36 MET HA 1 39 THR H 5.880 . 6.630 2.798 2.676 3.162 . 0 0 "[ . 1 . 2]" 1
575 1 97 SER HA 1 98 GLY H 4.500 . 5.250 3.479 3.299 3.613 . 0 0 "[ . 1 . 2]" 1
576 1 77 LYS H 1 78 GLY H 6.170 . 6.920 3.569 2.469 4.157 . 0 0 "[ . 1 . 2]" 1
577 1 77 LYS HA 1 78 GLY H 4.500 . 5.250 2.518 2.145 3.449 . 0 0 "[ . 1 . 2]" 1
578 1 77 LYS QB 1 78 GLY H 6.170 . 6.920 2.836 2.367 3.928 . 0 0 "[ . 1 . 2]" 1
579 1 39 THR H 1 41 GLY H 5.500 . 6.250 3.585 3.464 3.703 . 0 0 "[ . 1 . 2]" 1
580 1 36 MET QB 1 41 GLY H 6.170 . 6.920 3.706 3.591 3.911 . 0 0 "[ . 1 . 2]" 1
581 1 41 GLY H 1 89 LEU QD 7.410 . 8.160 3.579 2.919 4.459 . 0 0 "[ . 1 . 2]" 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 62
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 1.029
_Distance_constraint_stats_list.Viol_max 0.021
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 11 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.028 0.021 19 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.036 0.021 19 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.008 0.008 4 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.015 0.015 1 0 "[ . 1 . 2]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.015 0.015 1 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 HIS O 1 15 ASP H 2.000 . 2.750 1.953 1.852 2.032 . 0 0 "[ . 1 . 2]" 2
2 1 11 HIS O 1 15 ASP N 3.000 . 3.750 2.932 2.807 3.023 . 0 0 "[ . 1 . 2]" 2
3 1 12 ARG O 1 16 GLU H 2.000 . 2.750 1.885 1.779 1.988 0.021 19 0 "[ . 1 . 2]" 2
4 1 12 ARG O 1 16 GLU N 3.000 . 3.750 2.864 2.772 2.965 . 0 0 "[ . 1 . 2]" 2
5 1 13 GLU O 1 17 ALA H 2.000 . 2.750 1.994 1.879 2.017 . 0 0 "[ . 1 . 2]" 2
6 1 13 GLU O 1 17 ALA N 3.000 . 3.750 2.936 2.844 2.967 . 0 0 "[ . 1 . 2]" 2
7 1 14 VAL O 1 18 ILE H 2.000 . 2.750 1.949 1.873 2.027 . 0 0 "[ . 1 . 2]" 2
8 1 14 VAL O 1 18 ILE N 3.000 . 3.750 2.934 2.851 3.008 . 0 0 "[ . 1 . 2]" 2
9 1 15 ASP O 1 19 ASP H 2.000 . 2.750 1.944 1.853 2.032 . 0 0 "[ . 1 . 2]" 2
10 1 15 ASP O 1 19 ASP N 3.000 . 3.750 2.938 2.854 3.025 . 0 0 "[ . 1 . 2]" 2
11 1 16 GLU O 1 20 ASN H 2.000 . 2.750 1.868 1.792 1.959 0.008 4 0 "[ . 1 . 2]" 2
12 1 16 GLU O 1 20 ASN N 3.000 . 3.750 2.838 2.736 2.929 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA O 1 21 ILE H 2.000 . 2.750 1.989 1.929 2.030 . 0 0 "[ . 1 . 2]" 2
14 1 17 ALA O 1 21 ILE N 3.000 . 3.750 2.955 2.910 3.010 . 0 0 "[ . 1 . 2]" 2
15 1 18 ILE O 1 22 LEU H 2.000 . 2.750 1.876 1.819 2.007 . 0 0 "[ . 1 . 2]" 2
16 1 18 ILE O 1 22 LEU N 3.000 . 3.750 2.867 2.811 2.964 . 0 0 "[ . 1 . 2]" 2
17 1 19 ASP O 1 23 ARG H 2.000 . 2.750 1.969 1.909 2.016 . 0 0 "[ . 1 . 2]" 2
18 1 19 ASP O 1 23 ARG N 3.000 . 3.750 2.960 2.896 3.012 . 0 0 "[ . 1 . 2]" 2
19 1 20 ASN O 1 24 TYR H 2.000 . 2.750 1.901 1.804 2.023 . 0 0 "[ . 1 . 2]" 2
20 1 20 ASN O 1 24 TYR N 3.000 . 3.750 2.890 2.815 2.988 . 0 0 "[ . 1 . 2]" 2
21 1 29 GLU O 1 33 LEU H 2.000 . 2.750 1.910 1.844 1.981 . 0 0 "[ . 1 . 2]" 2
22 1 29 GLU O 1 33 LEU N 3.000 . 3.750 2.897 2.815 2.969 . 0 0 "[ . 1 . 2]" 2
23 1 30 GLN O 1 34 GLU H 2.000 . 2.750 1.938 1.816 2.004 . 0 0 "[ . 1 . 2]" 2
24 1 30 GLN O 1 34 GLU N 3.000 . 3.750 2.931 2.817 2.995 . 0 0 "[ . 1 . 2]" 2
25 1 31 GLN O 1 35 ALA H 2.000 . 2.750 1.935 1.860 2.002 . 0 0 "[ . 1 . 2]" 2
26 1 31 GLN O 1 35 ALA N 3.000 . 3.750 2.900 2.834 2.962 . 0 0 "[ . 1 . 2]" 2
27 1 32 PHE O 1 36 MET H 2.000 . 2.750 1.946 1.888 2.000 . 0 0 "[ . 1 . 2]" 2
28 1 32 PHE O 1 36 MET N 3.000 . 3.750 2.923 2.869 2.955 . 0 0 "[ . 1 . 2]" 2
29 1 33 LEU O 1 37 GLU H 2.000 . 2.750 1.890 1.813 1.956 . 0 0 "[ . 1 . 2]" 2
30 1 33 LEU O 1 37 GLU N 3.000 . 3.750 2.883 2.810 2.956 . 0 0 "[ . 1 . 2]" 2
31 1 34 GLU O 1 38 SER H 2.000 . 2.750 1.934 1.865 2.014 . 0 0 "[ . 1 . 2]" 2
32 1 34 GLU O 1 38 SER N 3.000 . 3.750 2.904 2.848 2.962 . 0 0 "[ . 1 . 2]" 2
33 1 44 ARG O 1 48 ALA H 2.000 . 2.750 2.040 2.030 2.048 . 0 0 "[ . 1 . 2]" 2
34 1 44 ARG O 1 48 ALA N 3.000 . 3.750 3.013 3.000 3.030 . 0 0 "[ . 1 . 2]" 2
35 1 45 ILE O 1 49 LYS H 2.000 . 2.750 1.890 1.836 1.958 . 0 0 "[ . 1 . 2]" 2
36 1 45 ILE O 1 49 LYS N 3.000 . 3.750 2.870 2.794 2.950 . 0 0 "[ . 1 . 2]" 2
37 1 46 ALA O 1 50 LEU H 2.000 . 2.750 1.969 1.850 2.055 . 0 0 "[ . 1 . 2]" 2
38 1 46 ALA O 1 50 LEU N 3.000 . 3.750 2.945 2.841 3.013 . 0 0 "[ . 1 . 2]" 2
39 1 47 ILE O 1 51 LEU H 2.000 . 2.750 1.954 1.879 2.018 . 0 0 "[ . 1 . 2]" 2
40 1 47 ILE O 1 51 LEU N 3.000 . 3.750 2.912 2.846 2.969 . 0 0 "[ . 1 . 2]" 2
41 1 48 ALA O 1 52 SER H 2.000 . 2.750 1.953 1.853 2.019 . 0 0 "[ . 1 . 2]" 2
42 1 48 ALA O 1 52 SER N 3.000 . 3.750 2.913 2.849 2.985 . 0 0 "[ . 1 . 2]" 2
43 1 85 SER O 1 89 LEU H 2.000 . 2.750 1.921 1.835 2.006 . 0 0 "[ . 1 . 2]" 2
44 1 85 SER O 1 89 LEU N 3.000 . 3.750 2.913 2.824 3.001 . 0 0 "[ . 1 . 2]" 2
45 1 86 GLN O 1 90 ASN H 2.000 . 2.750 1.891 1.830 1.958 . 0 0 "[ . 1 . 2]" 2
46 1 86 GLN O 1 90 ASN N 3.000 . 3.750 2.887 2.826 2.969 . 0 0 "[ . 1 . 2]" 2
47 1 87 GLN O 1 91 ARG H 2.000 . 2.750 1.988 1.915 2.037 . 0 0 "[ . 1 . 2]" 2
48 1 87 GLN O 1 91 ARG N 3.000 . 3.750 3.000 2.927 3.054 . 0 0 "[ . 1 . 2]" 2
49 1 88 ILE O 1 92 LEU H 2.000 . 2.750 1.897 1.839 2.011 . 0 0 "[ . 1 . 2]" 2
50 1 88 ILE O 1 92 LEU N 3.000 . 3.750 2.859 2.809 2.958 . 0 0 "[ . 1 . 2]" 2
51 1 89 LEU O 1 93 ARG H 2.000 . 2.750 1.876 1.821 1.984 . 0 0 "[ . 1 . 2]" 2
52 1 89 LEU O 1 93 ARG N 3.000 . 3.750 2.846 2.769 2.954 . 0 0 "[ . 1 . 2]" 2
53 1 90 ASN O 1 94 GLU H 2.000 . 2.750 1.981 1.884 2.027 . 0 0 "[ . 1 . 2]" 2
54 1 90 ASN O 1 94 GLU N 3.000 . 3.750 2.981 2.882 3.026 . 0 0 "[ . 1 . 2]" 2
55 1 91 ARG O 1 95 ARG H 2.000 . 2.750 1.950 1.885 2.004 . 0 0 "[ . 1 . 2]" 2
56 1 91 ARG O 1 95 ARG N 3.000 . 3.750 2.946 2.866 3.021 . 0 0 "[ . 1 . 2]" 2
57 1 92 LEU O 1 96 VAL H 2.000 . 2.750 1.972 1.919 2.040 . 0 0 "[ . 1 . 2]" 2
58 1 92 LEU O 1 96 VAL N 3.000 . 3.750 2.941 2.883 3.001 . 0 0 "[ . 1 . 2]" 2
59 1 93 ARG O 1 97 SER H 2.000 . 2.750 1.906 1.785 2.017 0.015 1 0 "[ . 1 . 2]" 2
60 1 93 ARG O 1 97 SER N 3.000 . 3.750 2.845 2.755 2.970 . 0 0 "[ . 1 . 2]" 2
61 1 94 GLU O 1 98 GLY H 2.000 . 2.750 2.037 2.003 2.070 . 0 0 "[ . 1 . 2]" 2
62 1 94 GLU O 1 98 GLY N 3.000 . 3.750 2.921 2.856 3.007 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, June 17, 2024 3:01:43 AM GMT (wattos1)