NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557651 |
2lyq   |
17896 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyq
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 597
_Distance_constraint_stats_list.Viol_count 1494
_Distance_constraint_stats_list.Viol_total 3028.050
_Distance_constraint_stats_list.Viol_max 0.493
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.1013
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 1.110 0.204 12 0 "[ . 1 . 2]"
1 3 ILE 5.752 0.354 2 0 "[ . 1 . 2]"
1 4 ASN 0.392 0.326 13 0 "[ . 1 . 2]"
1 5 ASN 1.595 0.252 15 0 "[ . 1 . 2]"
1 6 LEU 7.206 0.301 19 0 "[ . 1 . 2]"
1 7 LYS 8.391 0.252 15 0 "[ . 1 . 2]"
1 8 LEU 8.108 0.235 17 0 "[ . 1 . 2]"
1 9 ILE 7.703 0.301 19 0 "[ . 1 . 2]"
1 10 ARG 3.478 0.252 15 0 "[ . 1 . 2]"
1 11 GLU 2.507 0.260 9 0 "[ . 1 . 2]"
1 12 LYS 12.067 0.260 9 0 "[ . 1 . 2]"
1 13 LYS 10.388 0.302 3 0 "[ . 1 . 2]"
1 14 LYS 3.265 0.233 13 0 "[ . 1 . 2]"
1 15 ILE 8.478 0.327 18 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.417 0.186 18 0 "[ . 1 . 2]"
1 19 GLU 12.561 0.435 20 0 "[ . 1 . 2]"
1 20 LEU 7.899 0.435 20 0 "[ . 1 . 2]"
1 21 ALA 6.627 0.445 13 0 "[ . 1 . 2]"
1 22 ALA 3.164 0.233 7 0 "[ . 1 . 2]"
1 23 LEU 1.584 0.203 10 0 "[ . 1 . 2]"
1 24 LEU 13.914 0.313 11 0 "[ . 1 . 2]"
1 26 VAL 3.985 0.317 15 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 17.620 0.445 13 0 "[ . 1 . 2]"
1 29 GLN 5.619 0.307 19 0 "[ . 1 . 2]"
1 30 THR 1.817 0.159 9 0 "[ . 1 . 2]"
1 31 ILE 10.250 0.391 1 0 "[ . 1 . 2]"
1 32 ASN 2.194 0.391 1 0 "[ . 1 . 2]"
1 34 ILE 16.011 0.493 2 0 "[ . 1 . 2]"
1 35 GLU 3.030 0.248 3 0 "[ . 1 . 2]"
1 36 LYS 2.875 0.313 2 0 "[ . 1 . 2]"
1 37 ASN 14.398 0.493 2 0 "[ . 1 . 2]"
1 38 LYS 4.351 0.312 11 0 "[ . 1 . 2]"
1 39 TYR 0.591 0.230 11 0 "[ . 1 . 2]"
1 40 ASN 2.132 0.248 3 0 "[ . 1 . 2]"
1 41 PRO 3.637 0.295 1 0 "[ . 1 . 2]"
1 42 SER 0.163 0.088 15 0 "[ . 1 . 2]"
1 43 LEU 5.821 0.291 20 0 "[ . 1 . 2]"
1 44 GLN 0.043 0.043 10 0 "[ . 1 . 2]"
1 45 LEU 6.241 0.431 5 0 "[ . 1 . 2]"
1 46 ALA 6.823 0.431 5 0 "[ . 1 . 2]"
1 47 LEU 0.211 0.052 9 0 "[ . 1 . 2]"
1 48 LYS 0.151 0.106 4 0 "[ . 1 . 2]"
1 49 ILE 7.866 0.356 1 0 "[ . 1 . 2]"
1 50 ALA 0.464 0.158 10 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 5.367 0.336 20 0 "[ . 1 . 2]"
1 54 ASN 12.317 0.342 5 0 "[ . 1 . 2]"
1 55 THR 14.355 0.342 5 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 3.258 0.296 12 0 "[ . 1 . 2]"
1 58 GLU 0.171 0.098 12 0 "[ . 1 . 2]"
1 59 ASP 0.944 0.296 12 0 "[ . 1 . 2]"
1 60 ILE 4.988 0.291 20 0 "[ . 1 . 2]"
1 62 GLN 1.859 0.276 2 0 "[ . 1 . 2]"
1 64 GLN 2.826 0.354 2 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 1 MET HA 1 1 MET QG 3.900 . 4.500 2.551 2.252 3.113 . 0 0 "[ . 1 . 2]" 1
2 1 2 ILE HB 1 2 ILE MD 3.900 . 4.500 2.605 2.185 3.237 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE MD 1 2 ILE MG 3.900 . 4.500 1.974 1.821 2.143 0.179 11 0 "[ . 1 . 2]" 1
4 1 2 ILE MG 1 64 GLN HG2 4.900 . 5.500 4.393 2.889 5.502 0.002 15 0 "[ . 1 . 2]" 1
5 1 2 ILE MG 1 64 GLN QG 3.900 . 4.500 3.545 2.012 4.704 0.204 12 0 "[ . 1 . 2]" 1
6 1 2 ILE MG 1 64 GLN HG3 4.900 . 5.500 3.955 2.026 5.265 . 0 0 "[ . 1 . 2]" 1
7 1 3 ILE HA 1 3 ILE MD 3.900 . 4.500 3.242 2.017 4.135 . 0 0 "[ . 1 . 2]" 1
8 1 3 ILE HA 1 3 ILE HG12 3.900 . 4.500 3.339 2.488 4.224 . 0 0 "[ . 1 . 2]" 1
9 1 3 ILE HA 1 3 ILE HG13 3.900 . 4.500 3.556 2.802 4.160 . 0 0 "[ . 1 . 2]" 1
10 1 3 ILE HA 1 9 ILE MD 4.900 . 5.500 3.889 1.735 5.566 0.165 7 0 "[ . 1 . 2]" 1
11 1 3 ILE HB 1 3 ILE MD 3.900 . 4.500 2.625 2.198 3.229 . 0 0 "[ . 1 . 2]" 1
12 1 3 ILE HB 1 64 GLN QG 4.900 . 5.500 4.465 2.055 5.702 0.202 2 0 "[ . 1 . 2]" 1
13 1 3 ILE MD 1 3 ILE MG 2.700 . 3.500 2.050 1.776 3.240 0.124 13 0 "[ . 1 . 2]" 1
14 1 3 ILE MD 1 4 ASN H 3.900 . 4.500 3.879 2.466 4.826 0.326 13 0 "[ . 1 . 2]" 1
15 1 3 ILE MD 1 62 GLN HE21 4.900 . 5.500 4.209 2.249 5.598 0.098 16 0 "[ . 1 . 2]" 1
16 1 3 ILE MD 1 62 GLN HG2 4.900 . 5.500 3.602 2.521 5.542 0.042 9 0 "[ . 1 . 2]" 1
17 1 3 ILE MD 1 62 GLN QG 3.900 . 4.500 2.749 1.970 4.507 0.030 8 0 "[ . 1 . 2]" 1
18 1 3 ILE MD 1 62 GLN HG3 4.900 . 5.500 2.957 1.984 4.770 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE MD 1 64 GLN H 3.900 . 4.500 3.775 1.987 4.854 0.354 2 0 "[ . 1 . 2]" 1
20 1 3 ILE MD 1 64 GLN QB 4.900 . 5.500 3.225 1.840 5.538 0.060 3 0 "[ . 1 . 2]" 1
21 1 3 ILE MD 1 64 GLN QE 3.900 . 4.500 3.940 2.078 4.634 0.134 7 0 "[ . 1 . 2]" 1
22 1 3 ILE MD 1 64 GLN QG 3.900 . 4.500 2.860 1.950 4.446 0.050 13 0 "[ . 1 . 2]" 1
23 1 3 ILE HG12 1 3 ILE MG 3.900 . 4.500 2.623 2.193 3.205 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE HG12 1 64 GLN QB 3.900 . 4.500 3.410 1.980 4.662 0.162 13 0 "[ . 1 . 2]" 1
25 1 3 ILE HG12 1 64 GLN QG 3.900 . 4.500 3.022 1.994 4.277 0.006 4 0 "[ . 1 . 2]" 1
26 1 3 ILE HG13 1 3 ILE MG 3.900 . 4.500 2.798 2.228 3.217 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE HG13 1 62 GLN QG 3.900 . 4.500 3.942 2.447 4.776 0.276 2 0 "[ . 1 . 2]" 1
28 1 3 ILE HG13 1 64 GLN QG 3.900 . 4.500 3.335 2.030 4.599 0.099 3 0 "[ . 1 . 2]" 1
29 1 3 ILE MG 1 9 ILE MD 3.900 . 4.500 3.251 2.016 4.410 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE MG 1 59 ASP HA 5.200 . 6.000 5.102 3.640 6.204 0.204 15 0 "[ . 1 . 2]" 1
31 1 3 ILE MG 1 62 GLN HE21 4.900 . 5.500 3.707 1.968 5.523 0.023 10 0 "[ . 1 . 2]" 1
32 1 3 ILE MG 1 62 GLN HG2 3.900 . 4.500 3.604 2.114 4.613 0.113 12 0 "[ . 1 . 2]" 1
33 1 3 ILE MG 1 62 GLN QG 3.900 . 4.500 2.800 1.849 3.854 0.151 3 0 "[ . 1 . 2]" 1
34 1 3 ILE MG 1 62 GLN HG3 3.900 . 4.500 3.034 1.992 4.147 0.008 19 0 "[ . 1 . 2]" 1
35 1 5 ASN HB2 1 7 LYS HD3 4.900 . 5.500 5.282 3.970 5.752 0.252 15 0 "[ . 1 . 2]" 1
36 1 5 ASN HB2 1 8 LEU MD1 4.900 . 5.500 5.146 4.231 5.652 0.152 12 0 "[ . 1 . 2]" 1
37 1 5 ASN HB3 1 7 LYS HE2 4.900 . 5.500 3.520 2.015 5.386 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASN HB3 1 7 LYS HE3 4.900 . 5.500 4.142 2.011 5.594 0.094 18 0 "[ . 1 . 2]" 1
39 1 5 ASN HB3 1 7 LYS HG2 4.900 . 5.500 2.396 1.948 3.991 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU H 1 7 LYS HE2 4.900 . 5.500 4.230 3.618 5.621 0.121 14 0 "[ . 1 . 2]" 1
41 1 6 LEU H 1 7 LYS HE3 4.900 . 5.500 5.375 3.947 5.724 0.224 13 0 "[ . 1 . 2]" 1
42 1 6 LEU HA 1 6 LEU MD1 3.900 . 4.500 2.679 1.967 3.601 0.033 18 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 6 LEU MD2 4.900 . 5.500 2.367 1.917 4.041 . 0 0 "[ . 1 . 2]" 1
44 1 6 LEU HA 1 9 ILE HB 3.900 . 4.500 2.800 1.989 3.378 0.011 12 0 "[ . 1 . 2]" 1
45 1 6 LEU HA 1 9 ILE MD 4.900 . 5.500 4.632 3.860 5.182 . 0 0 "[ . 1 . 2]" 1
46 1 6 LEU HA 1 55 THR MG 4.900 . 5.500 4.630 3.679 5.458 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU HA 1 60 ILE MD 3.900 . 4.500 3.992 3.292 4.394 . 0 0 "[ . 1 . 2]" 1
48 1 6 LEU MD1 1 7 LYS HA 4.900 . 5.500 3.230 2.462 5.221 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU MD1 1 8 LEU H 4.900 . 5.500 4.787 4.112 5.721 0.221 18 0 "[ . 1 . 2]" 1
50 1 6 LEU MD1 1 9 ILE H 4.900 . 5.500 4.283 3.905 4.690 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU MD1 1 9 ILE HB 3.900 . 4.500 3.304 2.667 3.900 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU MD1 1 10 ARG H 3.900 . 4.500 3.319 2.815 3.991 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU MD1 1 10 ARG HA 4.900 . 5.500 4.142 3.534 4.576 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU MD1 1 10 ARG HB2 2.700 . 3.500 2.770 1.908 3.637 0.137 10 0 "[ . 1 . 2]" 1
55 1 6 LEU MD1 1 10 ARG HB3 4.900 . 5.500 3.934 3.098 5.125 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU MD1 1 10 ARG QD 4.900 . 5.500 3.875 2.014 5.485 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU MD1 1 10 ARG HG3 3.900 . 4.500 3.730 1.914 4.532 0.086 15 0 "[ . 1 . 2]" 1
58 1 6 LEU MD1 1 13 LYS HE2 5.200 . 6.000 5.484 4.657 6.118 0.118 19 0 "[ . 1 . 2]" 1
59 1 6 LEU MD1 1 31 ILE MD 5.200 . 6.000 5.606 4.189 6.130 0.130 18 0 "[ . 1 . 2]" 1
60 1 6 LEU MD1 1 50 ALA HA 4.900 . 5.500 4.730 3.190 5.448 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU MD1 1 50 ALA MB 4.900 . 5.500 4.987 2.944 5.658 0.158 10 0 "[ . 1 . 2]" 1
62 1 6 LEU MD1 1 53 LEU MD1 3.900 . 4.500 2.739 1.930 4.047 0.070 19 0 "[ . 1 . 2]" 1
63 1 6 LEU MD1 1 53 LEU QD 3.900 . 4.500 2.043 1.892 2.309 0.108 14 0 "[ . 1 . 2]" 1
64 1 6 LEU MD1 1 53 LEU MD2 3.900 . 4.500 2.797 1.903 3.672 0.097 14 0 "[ . 1 . 2]" 1
65 1 6 LEU MD1 1 55 THR MG 3.900 . 4.500 4.142 3.268 4.579 0.079 15 0 "[ . 1 . 2]" 1
66 1 6 LEU MD1 1 60 ILE MD 4.900 . 5.500 4.139 2.774 5.027 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU MD2 1 9 ILE H 4.900 . 5.500 4.872 3.915 5.801 0.301 19 0 "[ . 1 . 2]" 1
68 1 6 LEU MD2 1 9 ILE HB 3.900 . 4.500 3.575 2.442 4.800 0.300 12 0 "[ . 1 . 2]" 1
69 1 6 LEU MD2 1 10 ARG HB2 4.900 . 5.500 4.813 4.133 5.752 0.252 15 0 "[ . 1 . 2]" 1
70 1 6 LEU MD2 1 31 ILE MD 5.200 . 6.000 5.964 5.272 6.139 0.139 10 0 "[ . 1 . 2]" 1
71 1 6 LEU MD2 1 50 ALA H 5.200 . 6.000 4.580 3.130 5.743 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU MD2 1 50 ALA MB 3.900 . 4.500 3.693 2.061 4.498 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU MD2 1 53 LEU QD 3.900 . 4.500 2.674 1.862 4.080 0.138 10 0 "[ . 1 . 2]" 1
74 1 6 LEU MD2 1 57 LEU HA 4.900 . 5.500 5.239 4.710 5.704 0.204 14 0 "[ . 1 . 2]" 1
75 1 6 LEU MD2 1 57 LEU MD2 4.900 . 5.500 4.472 3.731 5.607 0.107 12 0 "[ . 1 . 2]" 1
76 1 6 LEU MD2 1 60 ILE HG13 4.900 . 5.500 4.486 4.039 5.100 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU MD2 1 60 ILE MG 3.900 . 4.500 2.404 1.943 3.405 0.057 1 0 "[ . 1 . 2]" 1
78 1 7 LYS H 1 7 LYS HE2 4.900 . 5.500 3.525 2.913 4.905 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS H 1 8 LEU HB2 4.900 . 5.500 4.607 4.194 4.960 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS HA 1 7 LYS HD3 4.900 . 5.500 3.573 2.590 4.632 . 0 0 "[ . 1 . 2]" 1
81 1 7 LYS HA 1 8 LEU HA 4.900 . 5.500 4.773 4.704 4.822 . 0 0 "[ . 1 . 2]" 1
82 1 7 LYS HA 1 8 LEU MD2 4.900 . 5.500 4.338 4.170 4.747 . 0 0 "[ . 1 . 2]" 1
83 1 7 LYS HB2 1 7 LYS HD2 3.900 . 4.500 3.363 2.603 3.721 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS HB2 1 8 LEU MD2 3.900 . 4.500 2.621 1.964 3.750 0.036 2 0 "[ . 1 . 2]" 1
85 1 7 LYS HD2 1 8 LEU MD2 4.900 . 5.500 4.397 3.192 5.015 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS HD3 1 7 LYS HE2 2.700 . 3.500 2.519 2.329 3.044 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS HD3 1 8 LEU MD2 4.900 . 5.500 4.456 4.017 4.876 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HD3 1 35 GLU HG3 4.900 . 5.500 4.896 3.599 5.576 0.076 15 0 "[ . 1 . 2]" 1
89 1 7 LYS HD3 1 41 PRO HD2 4.900 . 5.500 5.152 3.803 5.712 0.212 4 0 "[ . 1 . 2]" 1
90 1 7 LYS HD3 1 41 PRO HD3 5.200 . 6.000 5.228 4.457 6.051 0.051 14 0 "[ . 1 . 2]" 1
91 1 7 LYS HE2 1 7 LYS HG2 3.900 . 4.500 2.680 2.158 3.736 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HE2 1 8 LEU MD2 3.900 . 4.500 4.322 2.946 4.692 0.192 2 0 "[ . 1 . 2]" 1
93 1 7 LYS HE2 1 35 GLU HG2 4.900 . 5.500 4.884 3.480 5.605 0.105 8 0 "[ . 1 . 2]" 1
94 1 7 LYS HE3 1 7 LYS HG2 3.900 . 4.500 3.073 2.483 3.821 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS HE3 1 7 LYS HG3 3.900 . 4.500 2.679 2.295 3.894 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS HG2 1 8 LEU HB2 3.900 . 4.500 4.459 4.052 4.645 0.145 4 0 "[ . 1 . 2]" 1
97 1 7 LYS HG2 1 8 LEU MD1 4.900 . 5.500 5.130 3.912 5.579 0.079 6 0 "[ . 1 . 2]" 1
98 1 7 LYS HG2 1 8 LEU MD2 4.900 . 5.500 2.643 1.979 3.150 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS HG3 1 8 LEU HA 4.900 . 5.500 5.049 3.694 5.734 0.234 2 0 "[ . 1 . 2]" 1
100 1 7 LYS HG3 1 8 LEU MD2 3.900 . 4.500 2.679 1.906 3.305 0.094 6 0 "[ . 1 . 2]" 1
101 1 8 LEU H 1 8 LEU MD2 3.900 . 4.500 1.998 1.828 2.250 0.172 15 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 8 LEU HG 4.900 . 5.500 3.805 3.522 4.084 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 11 GLU HG2 4.900 . 5.500 4.614 4.226 5.024 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU HA 1 8 LEU MD1 3.900 . 4.500 2.099 1.927 2.393 0.073 13 0 "[ . 1 . 2]" 1
105 1 8 LEU HA 1 8 LEU HG 3.900 . 4.500 3.615 3.555 3.688 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU HA 1 9 ILE MD 4.900 . 5.500 5.171 4.955 5.382 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU HA 1 11 GLU HG2 4.900 . 5.500 2.520 2.011 3.090 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU HA 1 12 LYS HG2 4.900 . 5.500 4.343 3.676 4.701 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU HB2 1 8 LEU MD2 3.900 . 4.500 2.467 2.207 2.700 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HB2 1 9 ILE MD 3.900 . 4.500 3.952 3.696 4.244 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HB2 1 9 ILE HG12 4.900 . 5.500 3.554 3.316 3.751 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HB3 1 9 ILE MD 3.900 . 4.500 3.702 3.390 3.911 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HB3 1 9 ILE HG12 4.900 . 5.500 4.221 3.964 4.502 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU MD1 1 9 ILE MD 4.900 . 5.500 5.090 4.838 5.439 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU MD1 1 11 GLU HG2 3.900 . 4.500 3.669 1.993 4.297 0.007 8 0 "[ . 1 . 2]" 1
116 1 8 LEU MD2 1 9 ILE MD 5.200 . 6.000 5.413 5.065 5.658 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU HG 1 9 ILE MD 4.900 . 5.500 5.563 5.285 5.735 0.235 17 0 "[ . 1 . 2]" 1
118 1 9 ILE H 1 9 ILE MD 3.900 . 4.500 3.212 3.041 3.355 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE H 1 10 ARG HB2 4.900 . 5.500 4.697 4.301 5.180 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE HA 1 9 ILE MD 3.900 . 4.500 2.053 1.943 2.144 0.057 2 0 "[ . 1 . 2]" 1
121 1 9 ILE HA 1 12 LYS HD2 4.900 . 5.500 5.543 5.100 5.676 0.176 15 0 "[ . 1 . 2]" 1
122 1 9 ILE HA 1 12 LYS HG3 3.900 . 4.500 3.287 2.818 3.499 . 0 0 "[ . 1 . 2]" 1
123 1 9 ILE HA 1 13 LYS H 4.900 . 5.500 4.762 3.924 5.162 . 0 0 "[ . 1 . 2]" 1
124 1 9 ILE HA 1 55 THR MG 4.900 . 5.500 5.154 4.760 5.579 0.079 1 0 "[ . 1 . 2]" 1
125 1 9 ILE HB 1 9 ILE MD 3.900 . 4.500 3.214 3.174 3.228 . 0 0 "[ . 1 . 2]" 1
126 1 9 ILE HB 1 10 ARG HA 4.900 . 5.500 4.153 3.844 4.364 . 0 0 "[ . 1 . 2]" 1
127 1 9 ILE HB 1 13 LYS HE2 3.900 . 4.500 4.200 3.784 4.662 0.162 1 0 "[ . 1 . 2]" 1
128 1 9 ILE HB 1 53 LEU QD 4.900 . 5.500 3.381 2.606 4.859 . 0 0 "[ . 1 . 2]" 1
129 1 9 ILE HB 1 55 THR HB 4.900 . 5.500 5.149 4.552 5.616 0.116 3 0 "[ . 1 . 2]" 1
130 1 9 ILE HB 1 55 THR MG 3.900 . 4.500 3.452 2.847 3.756 . 0 0 "[ . 1 . 2]" 1
131 1 9 ILE HB 1 60 ILE MG 3.900 . 4.500 3.155 2.333 3.922 . 0 0 "[ . 1 . 2]" 1
132 1 9 ILE MD 1 12 LYS HB3 5.200 . 6.000 5.168 4.343 5.643 . 0 0 "[ . 1 . 2]" 1
133 1 9 ILE MD 1 12 LYS HG3 4.900 . 5.500 3.723 2.935 4.021 . 0 0 "[ . 1 . 2]" 1
134 1 9 ILE MD 1 55 THR MG 4.900 . 5.500 3.899 3.330 4.505 . 0 0 "[ . 1 . 2]" 1
135 1 9 ILE HG12 1 55 THR MG 4.900 . 5.500 4.693 4.176 5.291 . 0 0 "[ . 1 . 2]" 1
136 1 9 ILE HG12 1 60 ILE MD 4.900 . 5.500 5.450 4.762 5.663 0.163 20 0 "[ . 1 . 2]" 1
137 1 9 ILE HG12 1 60 ILE MG 3.900 . 4.500 3.276 2.487 3.609 . 0 0 "[ . 1 . 2]" 1
138 1 9 ILE HG13 1 9 ILE MG 4.900 . 5.500 2.256 2.170 2.356 . 0 0 "[ . 1 . 2]" 1
139 1 9 ILE HG13 1 55 THR MG 3.900 . 4.500 3.392 2.883 4.080 . 0 0 "[ . 1 . 2]" 1
140 1 9 ILE HG13 1 60 ILE MG 3.900 . 4.500 2.169 1.986 2.734 0.014 4 0 "[ . 1 . 2]" 1
141 1 9 ILE MG 1 12 LYS HB3 4.900 . 5.500 5.063 4.835 5.490 . 0 0 "[ . 1 . 2]" 1
142 1 9 ILE MG 1 13 LYS H 4.900 . 5.500 4.272 3.582 4.565 . 0 0 "[ . 1 . 2]" 1
143 1 9 ILE MG 1 13 LYS HB3 3.900 . 4.500 4.449 3.662 4.671 0.171 9 0 "[ . 1 . 2]" 1
144 1 9 ILE MG 1 13 LYS HE3 4.900 . 5.500 2.724 2.237 3.579 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE MG 1 59 ASP HB3 4.900 . 5.500 3.860 2.077 5.210 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG H 1 11 GLU HG2 4.900 . 5.500 4.193 3.853 5.678 0.178 8 0 "[ . 1 . 2]" 1
147 1 10 ARG HA 1 11 GLU HA 5.200 . 6.000 4.741 4.629 4.859 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG HA 1 13 LYS HB2 4.900 . 5.500 5.442 5.245 5.605 0.105 3 0 "[ . 1 . 2]" 1
149 1 10 ARG HA 1 13 LYS HD2 3.900 . 4.500 3.366 3.024 3.776 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HA 1 13 LYS HE3 3.900 . 4.500 3.923 3.336 4.501 0.001 15 0 "[ . 1 . 2]" 1
151 1 10 ARG HA 1 13 LYS HG3 4.900 . 5.500 3.121 2.739 3.397 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HA 1 53 LEU QD 3.900 . 4.500 2.464 1.916 3.932 0.084 17 0 "[ . 1 . 2]" 1
153 1 10 ARG HB2 1 11 GLU H 3.900 . 4.500 3.603 2.605 4.002 . 0 0 "[ . 1 . 2]" 1
154 1 10 ARG HB2 1 53 LEU QD 4.900 . 5.500 2.730 1.846 4.119 0.054 6 0 "[ . 1 . 2]" 1
155 1 10 ARG HB3 1 10 ARG HD2 4.900 . 5.500 3.191 2.287 3.770 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG HB3 1 10 ARG QD 3.900 . 4.500 2.623 2.045 3.510 . 0 0 "[ . 1 . 2]" 1
157 1 10 ARG HB3 1 10 ARG HD3 4.900 . 5.500 3.117 2.063 4.183 . 0 0 "[ . 1 . 2]" 1
158 1 10 ARG HB3 1 13 LYS HG2 4.900 . 5.500 5.472 4.948 5.730 0.230 19 0 "[ . 1 . 2]" 1
159 1 10 ARG HB3 1 53 LEU QD 4.900 . 5.500 3.708 3.051 4.625 . 0 0 "[ . 1 . 2]" 1
160 1 10 ARG QD 1 15 ILE MG 3.900 . 4.500 3.154 2.076 4.154 . 0 0 "[ . 1 . 2]" 1
161 1 10 ARG HG2 1 15 ILE HA 5.200 . 6.000 4.933 4.161 6.163 0.163 10 0 "[ . 1 . 2]" 1
162 1 10 ARG HG2 1 15 ILE MD 4.900 . 5.500 4.656 3.834 5.409 . 0 0 "[ . 1 . 2]" 1
163 1 10 ARG HG2 1 15 ILE MG 3.900 . 4.500 3.114 2.431 3.624 . 0 0 "[ . 1 . 2]" 1
164 1 10 ARG HG2 1 53 LEU MD1 3.900 . 4.500 3.484 1.812 4.591 0.188 10 0 "[ . 1 . 2]" 1
165 1 10 ARG HG2 1 53 LEU MD2 3.900 . 4.500 3.317 1.907 4.545 0.093 15 0 "[ . 1 . 2]" 1
166 1 10 ARG HG3 1 53 LEU QD 3.900 . 4.500 2.259 1.924 3.314 0.076 3 0 "[ . 1 . 2]" 1
167 1 11 GLU H 1 11 GLU HG2 4.900 . 5.500 2.055 1.796 3.676 0.104 12 0 "[ . 1 . 2]" 1
168 1 11 GLU HA 1 14 LYS H 4.900 . 5.500 3.364 3.025 3.607 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLU HB2 1 12 LYS HE3 4.900 . 5.500 4.958 4.387 5.691 0.191 9 0 "[ . 1 . 2]" 1
170 1 11 GLU HB3 1 12 LYS H 4.900 . 5.500 4.064 3.630 4.376 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLU HB3 1 12 LYS HE3 5.200 . 6.000 5.992 5.640 6.260 0.260 9 0 "[ . 1 . 2]" 1
172 1 11 GLU HG2 1 12 LYS HG2 3.900 . 4.500 3.680 2.656 4.744 0.244 16 0 "[ . 1 . 2]" 1
173 1 11 GLU HG3 1 12 LYS HE2 3.900 . 4.500 3.898 1.941 4.540 0.059 9 0 "[ . 1 . 2]" 1
174 1 11 GLU HG3 1 12 LYS HE3 3.900 . 4.500 3.516 2.928 4.552 0.052 7 0 "[ . 1 . 2]" 1
175 1 12 LYS H 1 12 LYS HB3 3.900 . 4.500 3.598 3.546 3.656 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS H 1 12 LYS HE3 3.900 . 4.500 4.566 3.974 4.753 0.253 4 0 "[ . 1 . 2]" 1
177 1 12 LYS H 1 13 LYS HG2 4.900 . 5.500 4.057 3.834 4.392 . 0 0 "[ . 1 . 2]" 1
178 1 12 LYS H 1 13 LYS HG3 4.900 . 5.500 5.013 4.542 5.432 . 0 0 "[ . 1 . 2]" 1
179 1 12 LYS HA 1 12 LYS HE2 3.900 . 4.500 4.471 3.649 4.691 0.191 3 0 "[ . 1 . 2]" 1
180 1 12 LYS HA 1 12 LYS HE3 3.900 . 4.500 4.133 2.125 4.728 0.228 11 0 "[ . 1 . 2]" 1
181 1 12 LYS HA 1 12 LYS HG2 3.900 . 4.500 3.125 2.622 3.302 . 0 0 "[ . 1 . 2]" 1
182 1 12 LYS HA 1 13 LYS HA 4.900 . 5.500 4.586 4.543 4.658 . 0 0 "[ . 1 . 2]" 1
183 1 12 LYS HA 1 14 LYS H 4.900 . 5.500 3.790 3.538 4.061 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS HA 1 14 LYS HD2 3.900 . 4.500 4.621 4.501 4.733 0.233 13 0 "[ . 1 . 2]" 1
185 1 12 LYS HA 1 14 LYS HG2 4.900 . 5.500 4.816 3.692 5.314 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS HB2 1 13 LYS H 3.900 . 4.500 2.587 2.415 2.762 . 0 0 "[ . 1 . 2]" 1
187 1 12 LYS HB2 1 13 LYS HA 4.900 . 5.500 4.340 4.149 4.711 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS HB3 1 12 LYS HD3 3.900 . 4.500 3.004 2.156 3.267 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS HB3 1 12 LYS HE2 3.900 . 4.500 4.449 4.247 4.715 0.215 6 0 "[ . 1 . 2]" 1
190 1 12 LYS HB3 1 13 LYS HA 4.900 . 5.500 4.579 4.469 4.742 . 0 0 "[ . 1 . 2]" 1
191 1 12 LYS HE2 1 12 LYS HG2 4.900 . 5.500 3.126 2.282 3.624 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS HE3 1 12 LYS HG2 3.900 . 4.500 3.348 2.327 3.736 . 0 0 "[ . 1 . 2]" 1
193 1 13 LYS H 1 13 LYS HE2 4.900 . 5.500 3.792 3.499 4.413 . 0 0 "[ . 1 . 2]" 1
194 1 13 LYS H 1 15 ILE HB 4.900 . 5.500 5.034 4.580 5.391 . 0 0 "[ . 1 . 2]" 1
195 1 13 LYS HA 1 13 LYS HD3 4.900 . 5.500 4.566 4.522 4.603 . 0 0 "[ . 1 . 2]" 1
196 1 13 LYS HA 1 14 LYS HB2 4.900 . 5.500 4.536 4.219 4.904 . 0 0 "[ . 1 . 2]" 1
197 1 13 LYS HA 1 14 LYS HD2 4.900 . 5.500 5.290 4.991 5.617 0.117 13 0 "[ . 1 . 2]" 1
198 1 13 LYS HB2 1 13 LYS HE3 4.900 . 5.500 4.655 4.343 4.829 . 0 0 "[ . 1 . 2]" 1
199 1 13 LYS HB2 1 14 LYS HG2 4.900 . 5.500 4.915 4.519 5.443 . 0 0 "[ . 1 . 2]" 1
200 1 13 LYS HB2 1 15 ILE HG13 4.900 . 5.500 4.864 3.904 5.526 0.026 8 0 "[ . 1 . 2]" 1
201 1 13 LYS HB2 1 53 LEU QD 4.900 . 5.500 4.818 4.402 5.528 0.028 1 0 "[ . 1 . 2]" 1
202 1 13 LYS HB2 1 54 ASN HB3 4.900 . 5.500 4.549 3.972 5.074 . 0 0 "[ . 1 . 2]" 1
203 1 13 LYS HB3 1 13 LYS HE2 4.900 . 5.500 3.325 2.798 3.918 . 0 0 "[ . 1 . 2]" 1
204 1 13 LYS HB3 1 15 ILE MD 4.900 . 5.500 3.584 3.360 3.806 . 0 0 "[ . 1 . 2]" 1
205 1 13 LYS HB3 1 53 LEU QD 5.200 . 6.000 5.076 4.487 5.876 . 0 0 "[ . 1 . 2]" 1
206 1 13 LYS HB3 1 54 ASN HB3 4.900 . 5.500 4.975 4.625 5.491 . 0 0 "[ . 1 . 2]" 1
207 1 13 LYS HD2 1 15 ILE HG13 4.900 . 5.500 4.712 4.164 5.209 . 0 0 "[ . 1 . 2]" 1
208 1 13 LYS HD2 1 15 ILE MG 3.900 . 4.500 3.766 3.311 4.458 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS HD2 1 53 LEU MD1 4.900 . 5.500 2.963 2.007 4.853 . 0 0 "[ . 1 . 2]" 1
210 1 13 LYS HD2 1 53 LEU QD 3.900 . 4.500 2.237 1.938 2.918 0.062 18 0 "[ . 1 . 2]" 1
211 1 13 LYS HD2 1 53 LEU MD2 4.900 . 5.500 2.972 1.995 4.331 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS HD2 1 54 ASN HB2 4.900 . 5.500 3.019 2.481 3.776 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS HD2 1 55 THR H 4.900 . 5.500 5.410 5.097 5.605 0.105 13 0 "[ . 1 . 2]" 1
214 1 13 LYS HD3 1 15 ILE H 4.900 . 5.500 5.075 4.331 5.523 0.023 20 0 "[ . 1 . 2]" 1
215 1 13 LYS HD3 1 15 ILE MD 3.900 . 4.500 2.353 2.041 3.151 . 0 0 "[ . 1 . 2]" 1
216 1 13 LYS HD3 1 15 ILE HG13 4.900 . 5.500 5.090 4.298 5.607 0.107 19 0 "[ . 1 . 2]" 1
217 1 13 LYS HD3 1 54 ASN HB2 4.900 . 5.500 2.273 2.039 2.698 . 0 0 "[ . 1 . 2]" 1
218 1 13 LYS HD3 1 54 ASN HB3 3.900 . 4.500 3.183 2.830 3.649 . 0 0 "[ . 1 . 2]" 1
219 1 13 LYS HD3 1 54 ASN HD21 3.900 . 4.500 3.761 3.182 4.475 . 0 0 "[ . 1 . 2]" 1
220 1 13 LYS HD3 1 55 THR H 4.900 . 5.500 5.342 5.003 5.605 0.105 19 0 "[ . 1 . 2]" 1
221 1 13 LYS HE2 1 13 LYS HG2 3.900 . 4.500 2.136 2.042 2.372 . 0 0 "[ . 1 . 2]" 1
222 1 13 LYS HE2 1 15 ILE MD 4.900 . 5.500 4.342 4.005 4.794 . 0 0 "[ . 1 . 2]" 1
223 1 13 LYS HE2 1 53 LEU QD 3.900 . 4.500 3.271 2.573 4.535 0.035 1 0 "[ . 1 . 2]" 1
224 1 13 LYS HE2 1 54 ASN HB3 4.900 . 5.500 5.426 4.724 5.743 0.243 15 0 "[ . 1 . 2]" 1
225 1 13 LYS HE2 1 55 THR H 4.900 . 5.500 5.640 4.783 5.802 0.302 3 0 "[ . 1 . 2]" 1
226 1 13 LYS HE3 1 15 ILE MD 4.900 . 5.500 4.118 3.567 4.962 . 0 0 "[ . 1 . 2]" 1
227 1 13 LYS HE3 1 15 ILE MG 4.900 . 5.500 5.303 4.798 5.607 0.107 9 0 "[ . 1 . 2]" 1
228 1 13 LYS HE3 1 53 LEU MD1 4.900 . 5.500 3.101 1.889 4.742 0.011 18 0 "[ . 1 . 2]" 1
229 1 13 LYS HE3 1 53 LEU MD2 4.900 . 5.500 3.225 2.696 4.182 . 0 0 "[ . 1 . 2]" 1
230 1 13 LYS HE3 1 54 ASN HB3 4.900 . 5.500 4.495 3.575 5.050 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS HG2 1 15 ILE HB 4.900 . 5.500 4.020 3.481 4.726 . 0 0 "[ . 1 . 2]" 1
232 1 13 LYS HG2 1 53 LEU MD1 4.900 . 5.500 4.322 3.154 5.621 0.121 15 0 "[ . 1 . 2]" 1
233 1 13 LYS HG2 1 53 LEU QD 4.900 . 5.500 3.751 2.969 4.556 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HG2 1 53 LEU MD2 4.900 . 5.500 4.317 3.562 5.298 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS HG2 1 54 ASN HB3 5.200 . 6.000 6.011 5.803 6.209 0.209 4 0 "[ . 1 . 2]" 1
236 1 13 LYS HG3 1 15 ILE MD 3.900 . 4.500 2.094 1.950 2.563 0.050 6 0 "[ . 1 . 2]" 1
237 1 14 LYS H 1 14 LYS HD2 3.900 . 4.500 3.133 2.543 4.612 0.112 8 0 "[ . 1 . 2]" 1
238 1 14 LYS H 1 15 ILE MD 3.900 . 4.500 4.116 3.585 4.630 0.130 20 0 "[ . 1 . 2]" 1
239 1 14 LYS HA 1 14 LYS HD2 4.900 . 5.500 2.379 1.910 4.655 . 0 0 "[ . 1 . 2]" 1
240 1 14 LYS HB2 1 14 LYS HD2 3.900 . 4.500 3.705 3.637 3.986 . 0 0 "[ . 1 . 2]" 1
241 1 14 LYS HB2 1 15 ILE MD 3.900 . 4.500 4.145 3.137 4.635 0.135 9 0 "[ . 1 . 2]" 1
242 1 14 LYS HB3 1 14 LYS HD3 4.900 . 5.500 3.558 2.460 3.818 . 0 0 "[ . 1 . 2]" 1
243 1 15 ILE H 1 15 ILE HG13 4.900 . 5.500 3.828 3.322 4.317 . 0 0 "[ . 1 . 2]" 1
244 1 15 ILE H 1 15 ILE MG 3.900 . 4.500 3.653 3.570 3.730 . 0 0 "[ . 1 . 2]" 1
245 1 15 ILE HA 1 15 ILE MD 3.900 . 4.500 3.117 2.153 3.722 . 0 0 "[ . 1 . 2]" 1
246 1 15 ILE HA 1 15 ILE HG13 4.900 . 5.500 2.193 2.012 2.581 . 0 0 "[ . 1 . 2]" 1
247 1 15 ILE HA 1 15 ILE MG 3.900 . 4.500 2.600 2.546 2.683 . 0 0 "[ . 1 . 2]" 1
248 1 15 ILE HA 1 16 SER HA 4.900 . 5.500 4.320 4.234 4.393 . 0 0 "[ . 1 . 2]" 1
249 1 15 ILE HA 1 19 GLU HB2 4.900 . 5.500 4.343 3.688 4.785 . 0 0 "[ . 1 . 2]" 1
250 1 15 ILE HA 1 19 GLU HB3 4.900 . 5.500 5.110 4.510 5.578 0.078 7 0 "[ . 1 . 2]" 1
251 1 15 ILE HA 1 19 GLU HG2 4.900 . 5.500 4.182 3.592 5.383 . 0 0 "[ . 1 . 2]" 1
252 1 15 ILE HB 1 19 GLU HB3 4.900 . 5.500 5.359 4.822 5.584 0.084 12 0 "[ . 1 . 2]" 1
253 1 15 ILE HB 1 19 GLU HG2 4.900 . 5.500 5.519 5.291 5.653 0.153 18 0 "[ . 1 . 2]" 1
254 1 15 ILE HB 1 54 ASN HD21 4.900 . 5.500 4.925 4.125 5.579 0.079 13 0 "[ . 1 . 2]" 1
255 1 15 ILE MD 1 15 ILE MG 3.900 . 4.500 2.974 2.351 3.237 . 0 0 "[ . 1 . 2]" 1
256 1 15 ILE MD 1 54 ASN HB3 4.900 . 5.500 3.901 3.219 4.619 . 0 0 "[ . 1 . 2]" 1
257 1 15 ILE HG12 1 19 GLU HB2 5.200 . 6.000 4.208 3.350 5.664 . 0 0 "[ . 1 . 2]" 1
258 1 15 ILE HG12 1 19 GLU HG2 3.900 . 4.500 3.903 3.155 4.522 0.022 10 0 "[ . 1 . 2]" 1
259 1 15 ILE HG12 1 19 GLU HG3 5.200 . 6.000 5.315 3.077 6.064 0.064 16 0 "[ . 1 . 2]" 1
260 1 15 ILE HG12 1 53 LEU HA 4.900 . 5.500 4.036 2.543 4.976 . 0 0 "[ . 1 . 2]" 1
261 1 15 ILE HG12 1 53 LEU QD 3.900 . 4.500 3.277 2.630 3.883 . 0 0 "[ . 1 . 2]" 1
262 1 15 ILE HG13 1 19 GLU HB2 3.900 . 4.500 4.572 4.043 4.827 0.327 18 0 "[ . 1 . 2]" 1
263 1 15 ILE HG13 1 19 GLU HG2 3.900 . 4.500 3.866 3.028 4.664 0.164 10 0 "[ . 1 . 2]" 1
264 1 15 ILE HG13 1 53 LEU QD 3.900 . 4.500 4.264 3.829 4.562 0.062 12 0 "[ . 1 . 2]" 1
265 1 15 ILE HG13 1 54 ASN HD22 4.900 . 5.500 4.900 3.551 5.661 0.161 1 0 "[ . 1 . 2]" 1
266 1 15 ILE MG 1 16 SER H 3.900 . 4.500 2.444 2.058 2.759 . 0 0 "[ . 1 . 2]" 1
267 1 15 ILE MG 1 16 SER HA 3.900 . 4.500 3.850 3.603 3.974 . 0 0 "[ . 1 . 2]" 1
268 1 15 ILE MG 1 19 GLU H 4.900 . 5.500 3.603 3.280 3.813 . 0 0 "[ . 1 . 2]" 1
269 1 15 ILE MG 1 19 GLU HA 4.900 . 5.500 4.390 4.062 4.746 . 0 0 "[ . 1 . 2]" 1
270 1 15 ILE MG 1 19 GLU HB2 3.900 . 4.500 1.995 1.800 2.855 0.200 20 0 "[ . 1 . 2]" 1
271 1 15 ILE MG 1 19 GLU HG2 4.900 . 5.500 2.856 2.405 3.204 . 0 0 "[ . 1 . 2]" 1
272 1 15 ILE MG 1 20 LEU H 4.900 . 5.500 3.005 2.685 3.483 . 0 0 "[ . 1 . 2]" 1
273 1 15 ILE MG 1 53 LEU HA 4.900 . 5.500 3.076 2.609 3.590 . 0 0 "[ . 1 . 2]" 1
274 1 15 ILE MG 1 53 LEU QD 2.700 . 3.500 1.983 1.838 2.423 0.062 11 0 "[ . 1 . 2]" 1
275 1 17 GLN HB2 1 20 LEU MD2 4.900 . 5.500 4.919 3.503 5.686 0.186 18 0 "[ . 1 . 2]" 1
276 1 17 GLN HB3 1 20 LEU MD2 4.900 . 5.500 4.378 3.329 5.513 0.013 14 0 "[ . 1 . 2]" 1
277 1 19 GLU H 1 20 LEU MD1 5.200 . 6.000 4.460 3.161 6.088 0.088 20 0 "[ . 1 . 2]" 1
278 1 19 GLU HA 1 20 LEU HA 4.900 . 5.500 4.625 4.534 4.699 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLU HA 1 20 LEU MD1 4.900 . 5.500 5.382 3.811 5.935 0.435 20 0 "[ . 1 . 2]" 1
280 1 19 GLU HB3 1 20 LEU HA 4.900 . 5.500 4.085 3.853 4.663 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLU HB3 1 20 LEU MD1 4.900 . 5.500 5.010 2.329 5.842 0.342 4 0 "[ . 1 . 2]" 1
282 1 19 GLU HG2 1 53 LEU QD 4.900 . 5.500 5.292 4.604 5.586 0.086 16 0 "[ . 1 . 2]" 1
283 1 20 LEU H 1 20 LEU MD2 3.900 . 4.500 3.191 1.946 4.291 0.054 15 0 "[ . 1 . 2]" 1
284 1 20 LEU HA 1 20 LEU MD2 3.900 . 4.500 3.895 3.477 4.098 . 0 0 "[ . 1 . 2]" 1
285 1 20 LEU HA 1 21 ALA MB 4.900 . 5.500 5.004 4.912 5.069 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU HA 1 22 ALA MB 4.900 . 5.500 5.184 4.774 5.596 0.096 9 0 "[ . 1 . 2]" 1
287 1 20 LEU MD1 1 53 LEU QD 3.900 . 4.500 3.189 1.664 3.936 0.336 20 0 "[ . 1 . 2]" 1
288 1 20 LEU MD2 1 21 ALA H 3.900 . 4.500 3.491 1.931 4.049 0.069 10 0 "[ . 1 . 2]" 1
289 1 20 LEU MD2 1 21 ALA HA 4.900 . 5.500 4.332 2.234 5.163 . 0 0 "[ . 1 . 2]" 1
290 1 20 LEU MD2 1 21 ALA MB 3.900 . 4.500 3.906 1.984 4.669 0.169 9 0 "[ . 1 . 2]" 1
291 1 20 LEU MD2 1 53 LEU QD 4.900 . 5.500 2.141 1.758 3.422 0.142 2 0 "[ . 1 . 2]" 1
292 1 21 ALA H 1 22 ALA MB 4.900 . 5.500 4.661 4.434 5.025 . 0 0 "[ . 1 . 2]" 1
293 1 21 ALA H 1 49 ILE MD 4.900 . 5.500 4.554 3.674 5.331 . 0 0 "[ . 1 . 2]" 1
294 1 21 ALA HA 1 23 LEU H 4.900 . 5.500 4.252 4.076 4.691 . 0 0 "[ . 1 . 2]" 1
295 1 21 ALA HA 1 24 LEU MD1 3.900 . 4.500 2.931 2.489 3.595 . 0 0 "[ . 1 . 2]" 1
296 1 21 ALA HA 1 24 LEU MD2 3.900 . 4.500 2.064 1.859 3.097 0.141 10 0 "[ . 1 . 2]" 1
297 1 21 ALA HA 1 24 LEU HG 4.900 . 5.500 3.645 2.783 4.126 . 0 0 "[ . 1 . 2]" 1
298 1 21 ALA HA 1 28 ARG HD2 4.900 . 5.500 5.195 4.627 5.945 0.445 13 0 "[ . 1 . 2]" 1
299 1 21 ALA HA 1 28 ARG HG3 4.900 . 5.500 3.685 3.288 4.027 . 0 0 "[ . 1 . 2]" 1
300 1 21 ALA HA 1 31 ILE MG 4.900 . 5.500 2.921 2.294 3.443 . 0 0 "[ . 1 . 2]" 1
301 1 21 ALA MB 1 22 ALA H 4.900 . 5.500 2.744 2.286 3.031 . 0 0 "[ . 1 . 2]" 1
302 1 21 ALA MB 1 22 ALA HA 4.900 . 5.500 3.847 3.479 3.971 . 0 0 "[ . 1 . 2]" 1
303 1 21 ALA MB 1 23 LEU H 5.200 . 6.000 4.587 4.164 5.022 . 0 0 "[ . 1 . 2]" 1
304 1 21 ALA MB 1 24 LEU MD1 3.900 . 4.500 3.493 2.851 4.415 . 0 0 "[ . 1 . 2]" 1
305 1 21 ALA MB 1 24 LEU MD2 4.900 . 5.500 3.430 3.185 4.363 . 0 0 "[ . 1 . 2]" 1
306 1 21 ALA MB 1 24 LEU HG 4.900 . 5.500 4.397 3.864 4.916 . 0 0 "[ . 1 . 2]" 1
307 1 21 ALA MB 1 28 ARG HA 4.900 . 5.500 3.102 2.483 3.875 . 0 0 "[ . 1 . 2]" 1
308 1 21 ALA MB 1 28 ARG HB2 4.900 . 5.500 3.645 3.194 3.920 . 0 0 "[ . 1 . 2]" 1
309 1 21 ALA MB 1 28 ARG HG2 3.900 . 4.500 2.287 1.963 3.004 0.037 19 0 "[ . 1 . 2]" 1
310 1 21 ALA MB 1 28 ARG HG3 3.900 . 4.500 1.881 1.793 1.977 0.207 11 0 "[ . 1 . 2]" 1
311 1 21 ALA MB 1 31 ILE MG 3.900 . 4.500 2.265 1.835 3.461 0.165 8 0 "[ . 1 . 2]" 1
312 1 21 ALA MB 1 49 ILE HG13 4.900 . 5.500 5.486 4.883 5.856 0.356 1 0 "[ . 1 . 2]" 1
313 1 22 ALA H 1 22 ALA MB 3.900 . 4.500 2.242 2.161 2.294 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA H 1 24 LEU MD2 4.900 . 5.500 3.785 3.404 5.003 . 0 0 "[ . 1 . 2]" 1
315 1 22 ALA H 1 24 LEU HG 4.900 . 5.500 5.061 4.625 5.321 . 0 0 "[ . 1 . 2]" 1
316 1 22 ALA H 1 28 ARG HB2 3.900 . 4.500 4.504 4.082 4.615 0.115 13 0 "[ . 1 . 2]" 1
317 1 22 ALA H 1 31 ILE MG 4.900 . 5.500 5.124 4.645 5.712 0.212 19 0 "[ . 1 . 2]" 1
318 1 22 ALA HA 1 23 LEU MD2 3.900 . 4.500 4.373 4.114 4.703 0.203 10 0 "[ . 1 . 2]" 1
319 1 22 ALA HA 1 28 ARG HB2 4.900 . 5.500 2.741 2.324 3.328 . 0 0 "[ . 1 . 2]" 1
320 1 22 ALA HA 1 28 ARG HG2 4.900 . 5.500 4.759 4.146 5.733 0.233 7 0 "[ . 1 . 2]" 1
321 1 22 ALA HA 1 28 ARG HG3 3.900 . 4.500 3.149 2.625 4.195 . 0 0 "[ . 1 . 2]" 1
322 1 22 ALA MB 1 23 LEU H 3.900 . 4.500 2.677 2.412 2.889 . 0 0 "[ . 1 . 2]" 1
323 1 22 ALA MB 1 23 LEU MD1 4.900 . 5.500 3.823 2.235 4.483 . 0 0 "[ . 1 . 2]" 1
324 1 22 ALA MB 1 23 LEU MD2 3.900 . 4.500 2.394 2.119 2.716 . 0 0 "[ . 1 . 2]" 1
325 1 22 ALA MB 1 23 LEU HG 4.900 . 5.500 4.543 3.011 5.273 . 0 0 "[ . 1 . 2]" 1
326 1 22 ALA MB 1 24 LEU MD2 4.900 . 5.500 4.501 4.056 5.429 . 0 0 "[ . 1 . 2]" 1
327 1 22 ALA MB 1 28 ARG HB2 4.900 . 5.500 3.715 3.125 4.219 . 0 0 "[ . 1 . 2]" 1
328 1 22 ALA MB 1 28 ARG HD2 3.900 . 4.500 3.754 2.931 4.580 0.080 13 0 "[ . 1 . 2]" 1
329 1 22 ALA MB 1 28 ARG HD3 4.900 . 5.500 3.341 1.980 5.507 0.007 19 0 "[ . 1 . 2]" 1
330 1 22 ALA MB 1 28 ARG HG3 4.900 . 5.500 3.881 3.394 4.871 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU H 1 23 LEU MD1 4.900 . 5.500 3.553 2.303 3.954 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU H 1 23 LEU MD2 3.900 . 4.500 2.140 1.905 2.861 0.095 1 0 "[ . 1 . 2]" 1
333 1 23 LEU H 1 24 LEU MD1 5.200 . 6.000 5.147 5.051 5.312 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU HA 1 23 LEU MD1 4.900 . 5.500 2.375 1.868 3.769 0.032 8 0 "[ . 1 . 2]" 1
335 1 23 LEU HA 1 23 LEU MD2 3.900 . 4.500 2.366 1.990 3.448 0.010 18 0 "[ . 1 . 2]" 1
336 1 23 LEU HA 1 23 LEU HG 3.900 . 4.500 3.469 3.105 3.596 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU HA 1 24 LEU HA 4.900 . 5.500 4.737 4.695 4.803 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU HA 1 24 LEU MD2 3.900 . 4.500 4.307 4.164 4.577 0.077 19 0 "[ . 1 . 2]" 1
339 1 23 LEU HA 1 24 LEU HG 5.200 . 6.000 5.160 4.977 5.273 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU MD2 1 24 LEU H 5.200 . 6.000 4.220 3.883 4.554 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU H 1 24 LEU MD1 4.900 . 5.500 3.461 3.416 3.528 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU HA 1 24 LEU MD2 4.900 . 5.500 2.946 2.130 3.244 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU HA 1 24 LEU HG 3.900 . 4.500 3.626 3.378 3.678 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU MD1 1 28 ARG H 4.900 . 5.500 5.554 5.284 5.709 0.209 8 0 "[ . 1 . 2]" 1
345 1 24 LEU MD1 1 28 ARG HB2 4.900 . 5.500 5.244 4.396 5.495 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU MD1 1 28 ARG HG2 4.900 . 5.500 5.128 4.042 5.529 0.029 4 0 "[ . 1 . 2]" 1
347 1 24 LEU MD1 1 28 ARG HG3 3.900 . 4.500 4.487 4.156 4.647 0.147 11 0 "[ . 1 . 2]" 1
348 1 24 LEU MD1 1 31 ILE HB 3.900 . 4.500 2.476 2.009 3.314 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU MD1 1 31 ILE MD 3.900 . 4.500 2.802 2.175 3.259 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU MD1 1 31 ILE HG12 3.900 . 4.500 2.442 1.858 3.267 0.142 2 0 "[ . 1 . 2]" 1
351 1 24 LEU MD1 1 31 ILE HG13 3.900 . 4.500 2.593 1.775 3.407 0.225 11 0 "[ . 1 . 2]" 1
352 1 24 LEU MD1 1 41 PRO HB2 4.900 . 5.500 5.068 4.314 5.656 0.156 8 0 "[ . 1 . 2]" 1
353 1 24 LEU MD1 1 45 LEU MD1 3.900 . 4.500 2.622 1.944 3.478 0.056 8 0 "[ . 1 . 2]" 1
354 1 24 LEU MD1 1 45 LEU MD2 3.900 . 4.500 3.230 2.268 4.519 0.019 4 0 "[ . 1 . 2]" 1
355 1 24 LEU MD1 1 49 ILE HA 4.900 . 5.500 5.467 4.772 5.774 0.274 4 0 "[ . 1 . 2]" 1
356 1 24 LEU MD1 1 49 ILE MD 3.900 . 4.500 2.861 2.007 4.424 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU MD1 1 49 ILE HG12 4.900 . 5.500 5.012 3.066 5.541 0.041 19 0 "[ . 1 . 2]" 1
358 1 24 LEU MD1 1 49 ILE MG 3.900 . 4.500 3.929 2.315 4.594 0.094 12 0 "[ . 1 . 2]" 1
359 1 24 LEU MD2 1 26 VAL MG2 4.900 . 5.500 3.631 3.525 3.736 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD2 1 28 ARG HB2 4.900 . 5.500 5.582 5.312 5.743 0.243 19 0 "[ . 1 . 2]" 1
361 1 24 LEU MD2 1 28 ARG HG2 4.900 . 5.500 5.644 5.383 5.813 0.313 11 0 "[ . 1 . 2]" 1
362 1 24 LEU MD2 1 45 LEU MD1 3.900 . 4.500 3.594 2.479 4.278 . 0 0 "[ . 1 . 2]" 1
363 1 24 LEU MD2 1 49 ILE HA 3.900 . 4.500 3.204 2.711 3.867 . 0 0 "[ . 1 . 2]" 1
364 1 24 LEU MD2 1 49 ILE MG 4.900 . 5.500 3.140 1.843 3.903 0.057 13 0 "[ . 1 . 2]" 1
365 1 24 LEU HG 1 26 VAL MG2 4.900 . 5.500 2.525 2.291 3.564 . 0 0 "[ . 1 . 2]" 1
366 1 24 LEU HG 1 28 ARG HA 4.900 . 5.500 4.532 4.191 4.798 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU HG 1 28 ARG HB2 4.900 . 5.500 5.482 4.461 5.647 0.147 2 0 "[ . 1 . 2]" 1
368 1 24 LEU HG 1 28 ARG HG3 5.200 . 6.000 4.996 4.609 5.378 . 0 0 "[ . 1 . 2]" 1
369 1 24 LEU HG 1 31 ILE HB 4.900 . 5.500 4.632 4.174 5.270 . 0 0 "[ . 1 . 2]" 1
370 1 24 LEU HG 1 31 ILE HG12 4.900 . 5.500 5.080 4.271 5.732 0.232 11 0 "[ . 1 . 2]" 1
371 1 24 LEU HG 1 45 LEU MD1 4.900 . 5.500 4.425 3.881 5.572 0.072 14 0 "[ . 1 . 2]" 1
372 1 26 VAL HA 1 26 VAL MG2 3.900 . 4.500 3.221 3.209 3.234 . 0 0 "[ . 1 . 2]" 1
373 1 26 VAL MG1 1 34 ILE MG 5.200 . 6.000 6.159 5.915 6.317 0.317 15 0 "[ . 1 . 2]" 1
374 1 26 VAL MG2 1 28 ARG HA 4.900 . 5.500 3.545 3.089 3.850 . 0 0 "[ . 1 . 2]" 1
375 1 26 VAL MG2 1 31 ILE H 4.900 . 5.500 3.652 3.282 4.549 . 0 0 "[ . 1 . 2]" 1
376 1 26 VAL MG2 1 31 ILE HA 4.900 . 5.500 4.246 4.003 4.558 . 0 0 "[ . 1 . 2]" 1
377 1 26 VAL MG2 1 31 ILE HB 3.900 . 4.500 2.506 2.178 3.324 . 0 0 "[ . 1 . 2]" 1
378 1 26 VAL MG2 1 31 ILE MD 3.900 . 4.500 3.540 2.625 4.525 0.025 17 0 "[ . 1 . 2]" 1
379 1 26 VAL MG2 1 31 ILE HG12 3.900 . 4.500 3.373 2.399 4.123 . 0 0 "[ . 1 . 2]" 1
380 1 26 VAL MG2 1 34 ILE HB 5.200 . 6.000 5.846 5.488 6.078 0.078 15 0 "[ . 1 . 2]" 1
381 1 26 VAL MG2 1 34 ILE MG 4.900 . 5.500 5.466 4.968 5.614 0.114 8 0 "[ . 1 . 2]" 1
382 1 27 SER QB 1 29 GLN HB3 5.200 . 6.000 4.805 4.319 5.411 . 0 0 "[ . 1 . 2]" 1
383 1 27 SER QB 1 29 GLN QE 4.900 . 5.500 3.911 2.426 5.282 . 0 0 "[ . 1 . 2]" 1
384 1 28 ARG H 1 31 ILE MG 4.900 . 5.500 4.599 4.039 5.617 0.117 15 0 "[ . 1 . 2]" 1
385 1 28 ARG HA 1 29 GLN HG2 4.900 . 5.500 5.375 4.892 5.807 0.307 19 0 "[ . 1 . 2]" 1
386 1 28 ARG HA 1 29 GLN HG3 4.900 . 5.500 5.400 4.908 5.756 0.256 1 0 "[ . 1 . 2]" 1
387 1 28 ARG HA 1 31 ILE H 4.900 . 5.500 3.446 3.119 3.719 . 0 0 "[ . 1 . 2]" 1
388 1 28 ARG HA 1 31 ILE HA 5.200 . 6.000 5.581 4.780 6.056 0.056 14 0 "[ . 1 . 2]" 1
389 1 28 ARG HA 1 31 ILE HG12 4.900 . 5.500 5.386 4.121 5.740 0.240 11 0 "[ . 1 . 2]" 1
390 1 28 ARG HA 1 31 ILE MG 4.900 . 5.500 2.251 1.868 3.263 0.032 2 0 "[ . 1 . 2]" 1
391 1 28 ARG HB2 1 31 ILE MG 4.900 . 5.500 4.221 3.941 4.898 . 0 0 "[ . 1 . 2]" 1
392 1 28 ARG HB3 1 29 GLN HG2 3.900 . 4.500 3.975 3.287 4.478 . 0 0 "[ . 1 . 2]" 1
393 1 28 ARG HD2 1 31 ILE MG 4.900 . 5.500 4.829 4.144 5.128 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG HD3 1 31 ILE MG 4.900 . 5.500 5.093 4.068 5.485 . 0 0 "[ . 1 . 2]" 1
395 1 28 ARG HG2 1 29 GLN HA 4.900 . 5.500 4.114 3.675 4.520 . 0 0 "[ . 1 . 2]" 1
396 1 28 ARG HG2 1 31 ILE H 4.900 . 5.500 5.043 4.468 5.524 0.024 4 0 "[ . 1 . 2]" 1
397 1 28 ARG HG2 1 31 ILE MG 3.900 . 4.500 3.017 2.335 3.485 . 0 0 "[ . 1 . 2]" 1
398 1 28 ARG HG3 1 31 ILE MG 3.900 . 4.500 3.213 2.708 3.733 . 0 0 "[ . 1 . 2]" 1
399 1 29 GLN H 1 31 ILE MG 4.900 . 5.500 4.536 4.049 5.570 0.070 15 0 "[ . 1 . 2]" 1
400 1 29 GLN HA 1 29 GLN HG2 3.900 . 4.500 3.271 2.384 3.734 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLN HA 1 30 THR HA 4.900 . 5.500 4.756 4.697 4.821 . 0 0 "[ . 1 . 2]" 1
402 1 29 GLN HA 1 31 ILE MG 4.900 . 5.500 4.537 4.165 5.329 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLN HB2 1 30 THR HA 4.900 . 5.500 4.107 3.814 4.417 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLN QE 1 29 GLN HG2 3.900 . 4.500 2.863 2.193 3.385 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLN QE 1 29 GLN HG3 3.900 . 4.500 2.655 2.193 3.375 . 0 0 "[ . 1 . 2]" 1
406 1 29 GLN HG2 1 30 THR H 3.900 . 4.500 3.528 2.637 4.632 0.132 19 0 "[ . 1 . 2]" 1
407 1 29 GLN HG2 1 30 THR MG 4.900 . 5.500 5.179 3.870 5.645 0.145 7 0 "[ . 1 . 2]" 1
408 1 29 GLN HG3 1 30 THR MG 3.900 . 4.500 3.950 2.459 4.659 0.159 9 0 "[ . 1 . 2]" 1
409 1 29 GLN HG3 1 31 ILE H 4.900 . 5.500 5.008 4.402 5.707 0.207 3 0 "[ . 1 . 2]" 1
410 1 30 THR HA 1 30 THR MG 3.900 . 4.500 2.185 2.071 2.320 . 0 0 "[ . 1 . 2]" 1
411 1 31 ILE H 1 34 ILE HB 4.900 . 5.500 4.553 4.295 4.900 . 0 0 "[ . 1 . 2]" 1
412 1 31 ILE HA 1 31 ILE HG12 4.900 . 5.500 3.040 2.014 3.746 . 0 0 "[ . 1 . 2]" 1
413 1 31 ILE HA 1 31 ILE HG13 4.900 . 5.500 3.231 2.805 3.608 . 0 0 "[ . 1 . 2]" 1
414 1 31 ILE HA 1 31 ILE MG 3.900 . 4.500 3.183 2.695 3.241 . 0 0 "[ . 1 . 2]" 1
415 1 31 ILE HA 1 34 ILE HG12 4.900 . 5.500 4.757 4.469 5.070 . 0 0 "[ . 1 . 2]" 1
416 1 31 ILE HB 1 31 ILE MD 4.900 . 5.500 2.734 2.205 3.231 . 0 0 "[ . 1 . 2]" 1
417 1 31 ILE HB 1 34 ILE MD 5.200 . 6.000 5.559 4.983 6.092 0.092 10 0 "[ . 1 . 2]" 1
418 1 31 ILE HB 1 34 ILE MG 4.900 . 5.500 5.142 4.726 5.514 0.014 15 0 "[ . 1 . 2]" 1
419 1 31 ILE MD 1 31 ILE MG 4.900 . 5.500 2.557 1.818 3.264 0.082 19 0 "[ . 1 . 2]" 1
420 1 31 ILE MD 1 32 ASN H 4.900 . 5.500 4.212 3.607 4.683 . 0 0 "[ . 1 . 2]" 1
421 1 31 ILE MD 1 32 ASN HA 5.200 . 6.000 4.340 3.267 5.307 . 0 0 "[ . 1 . 2]" 1
422 1 31 ILE MD 1 34 ILE HA 4.900 . 5.500 5.332 4.968 5.686 0.186 15 0 "[ . 1 . 2]" 1
423 1 31 ILE MD 1 34 ILE MD 4.900 . 5.500 4.782 4.433 5.167 . 0 0 "[ . 1 . 2]" 1
424 1 31 ILE MD 1 35 GLU HB2 4.900 . 5.500 3.156 1.931 4.453 . 0 0 "[ . 1 . 2]" 1
425 1 31 ILE MD 1 35 GLU HG3 4.900 . 5.500 2.789 1.928 4.747 . 0 0 "[ . 1 . 2]" 1
426 1 31 ILE MD 1 49 ILE MD 4.900 . 5.500 3.917 2.604 4.715 . 0 0 "[ . 1 . 2]" 1
427 1 31 ILE HG12 1 34 ILE MG 4.900 . 5.500 4.587 3.177 5.479 . 0 0 "[ . 1 . 2]" 1
428 1 31 ILE HG13 1 31 ILE MG 3.900 . 4.500 2.430 2.209 2.704 . 0 0 "[ . 1 . 2]" 1
429 1 31 ILE MG 1 32 ASN H 4.900 . 5.500 2.068 1.870 2.751 0.030 1 0 "[ . 1 . 2]" 1
430 1 31 ILE MG 1 32 ASN HA 3.900 . 4.500 3.046 2.853 3.288 . 0 0 "[ . 1 . 2]" 1
431 1 31 ILE MG 1 32 ASN HB3 3.900 . 4.500 4.101 3.003 4.759 0.259 15 0 "[ . 1 . 2]" 1
432 1 31 ILE MG 1 32 ASN HD21 4.900 . 5.500 4.238 2.245 5.215 . 0 0 "[ . 1 . 2]" 1
433 1 31 ILE MG 1 32 ASN HD22 4.900 . 5.500 4.811 2.988 5.891 0.391 1 0 "[ . 1 . 2]" 1
434 1 34 ILE H 1 34 ILE MG 4.900 . 5.500 3.602 3.277 3.666 . 0 0 "[ . 1 . 2]" 1
435 1 34 ILE H 1 35 GLU HB2 5.200 . 6.000 4.828 4.383 5.174 . 0 0 "[ . 1 . 2]" 1
436 1 34 ILE HA 1 34 ILE MD 3.900 . 4.500 2.426 2.248 2.634 . 0 0 "[ . 1 . 2]" 1
437 1 34 ILE HA 1 34 ILE MG 4.900 . 5.500 2.798 2.711 2.964 . 0 0 "[ . 1 . 2]" 1
438 1 34 ILE HA 1 37 ASN QB 4.900 . 5.500 5.113 4.895 5.312 . 0 0 "[ . 1 . 2]" 1
439 1 34 ILE HA 1 38 LYS HD3 4.900 . 5.500 2.814 2.020 4.805 . 0 0 "[ . 1 . 2]" 1
440 1 34 ILE HA 1 38 LYS HE3 4.900 . 5.500 4.521 3.810 5.620 0.120 11 0 "[ . 1 . 2]" 1
441 1 34 ILE HB 1 35 GLU H 4.900 . 5.500 3.151 3.028 3.270 . 0 0 "[ . 1 . 2]" 1
442 1 34 ILE MD 1 34 ILE MG 3.900 . 4.500 3.215 3.171 3.251 . 0 0 "[ . 1 . 2]" 1
443 1 34 ILE MD 1 37 ASN QB 5.200 . 6.000 6.142 6.052 6.260 0.260 11 0 "[ . 1 . 2]" 1
444 1 34 ILE MD 1 38 LYS HD2 4.900 . 5.500 4.116 2.994 5.478 . 0 0 "[ . 1 . 2]" 1
445 1 34 ILE MD 1 38 LYS HE3 4.900 . 5.500 4.040 3.337 5.423 . 0 0 "[ . 1 . 2]" 1
446 1 34 ILE MD 1 39 TYR QD 4.900 . 5.500 5.104 4.088 5.615 0.115 14 0 "[ . 1 . 2]" 1
447 1 34 ILE HG12 1 38 LYS HD2 4.900 . 5.500 5.288 4.501 5.720 0.220 17 0 "[ . 1 . 2]" 1
448 1 34 ILE HG12 1 38 LYS HG2 4.900 . 5.500 4.081 2.745 5.006 . 0 0 "[ . 1 . 2]" 1
449 1 34 ILE HG13 1 34 ILE MG 3.900 . 4.500 2.520 2.372 2.659 . 0 0 "[ . 1 . 2]" 1
450 1 34 ILE HG13 1 35 GLU H 5.200 . 6.000 5.032 4.860 5.152 . 0 0 "[ . 1 . 2]" 1
451 1 34 ILE HG13 1 37 ASN QB 5.200 . 6.000 6.301 6.175 6.493 0.493 2 0 "[ . 1 . 2]" 1
452 1 34 ILE HG13 1 38 LYS HB2 4.900 . 5.500 2.112 1.984 2.301 . 0 0 "[ . 1 . 2]" 1
453 1 34 ILE HG13 1 38 LYS HD2 3.900 . 4.500 3.630 2.755 4.444 . 0 0 "[ . 1 . 2]" 1
454 1 34 ILE HG13 1 38 LYS HG2 4.900 . 5.500 2.753 2.008 3.419 . 0 0 "[ . 1 . 2]" 1
455 1 34 ILE MG 1 35 GLU HA 4.900 . 5.500 3.196 3.044 3.365 . 0 0 "[ . 1 . 2]" 1
456 1 34 ILE MG 1 35 GLU HB2 3.900 . 4.500 4.195 3.833 4.578 0.078 5 0 "[ . 1 . 2]" 1
457 1 34 ILE MG 1 35 GLU HG3 4.900 . 5.500 4.326 3.283 5.128 . 0 0 "[ . 1 . 2]" 1
458 1 34 ILE MG 1 37 ASN QB 5.200 . 6.000 6.037 5.889 6.197 0.197 10 0 "[ . 1 . 2]" 1
459 1 34 ILE MG 1 38 LYS HB3 4.900 . 5.500 2.444 1.848 3.306 0.052 11 0 "[ . 1 . 2]" 1
460 1 34 ILE MG 1 38 LYS HD2 4.900 . 5.500 4.544 3.982 5.252 . 0 0 "[ . 1 . 2]" 1
461 1 34 ILE MG 1 38 LYS HD3 4.900 . 5.500 4.342 3.792 5.539 0.039 17 0 "[ . 1 . 2]" 1
462 1 34 ILE MG 1 39 TYR QE 4.900 . 5.500 2.996 2.187 4.426 . 0 0 "[ . 1 . 2]" 1
463 1 35 GLU HA 1 39 TYR HA 4.900 . 5.500 4.687 4.203 5.074 . 0 0 "[ . 1 . 2]" 1
464 1 35 GLU HA 1 40 ASN H 4.900 . 5.500 4.922 4.160 5.232 . 0 0 "[ . 1 . 2]" 1
465 1 35 GLU HB2 1 36 LYS H 4.900 . 5.500 3.393 3.039 3.815 . 0 0 "[ . 1 . 2]" 1
466 1 35 GLU HG2 1 39 TYR HA 5.200 . 6.000 5.544 5.239 6.157 0.157 19 0 "[ . 1 . 2]" 1
467 1 35 GLU HG2 1 40 ASN H 4.900 . 5.500 4.842 4.565 5.521 0.021 19 0 "[ . 1 . 2]" 1
468 1 35 GLU HG2 1 41 PRO HD2 4.900 . 5.500 3.720 2.259 5.516 0.016 19 0 "[ . 1 . 2]" 1
469 1 35 GLU HG3 1 40 ASN H 5.200 . 6.000 6.030 4.597 6.248 0.248 3 0 "[ . 1 . 2]" 1
470 1 35 GLU HG3 1 41 PRO HG3 4.900 . 5.500 3.362 2.447 5.113 . 0 0 "[ . 1 . 2]" 1
471 1 36 LYS HA 1 36 LYS QE 4.900 . 5.500 4.684 3.892 5.066 . 0 0 "[ . 1 . 2]" 1
472 1 36 LYS HA 1 36 LYS HG2 3.900 . 4.500 2.804 2.390 3.152 . 0 0 "[ . 1 . 2]" 1
473 1 36 LYS QE 1 36 LYS HG3 3.900 . 4.500 2.839 2.376 3.610 . 0 0 "[ . 1 . 2]" 1
474 1 36 LYS HG2 1 37 ASN HA 4.900 . 5.500 5.400 4.857 5.711 0.211 2 0 "[ . 1 . 2]" 1
475 1 36 LYS HG3 1 37 ASN HA 5.200 . 6.000 6.089 5.817 6.313 0.313 2 0 "[ . 1 . 2]" 1
476 1 37 ASN H 1 37 ASN QB 3.900 . 4.500 3.289 3.184 3.518 . 0 0 "[ . 1 . 2]" 1
477 1 37 ASN HA 1 38 LYS HA 4.900 . 5.500 4.462 4.304 4.580 . 0 0 "[ . 1 . 2]" 1
478 1 37 ASN HA 1 38 LYS HD2 4.900 . 5.500 5.251 4.418 5.812 0.312 11 0 "[ . 1 . 2]" 1
479 1 37 ASN QB 1 38 LYS HD2 3.900 . 4.500 3.606 2.863 4.628 0.128 17 0 "[ . 1 . 2]" 1
480 1 38 LYS HA 1 38 LYS HE2 3.900 . 4.500 4.441 3.973 4.804 0.304 19 0 "[ . 1 . 2]" 1
481 1 38 LYS HB2 1 38 LYS HD3 3.900 . 4.500 2.775 2.367 4.251 . 0 0 "[ . 1 . 2]" 1
482 1 38 LYS HB2 1 39 TYR HA 4.900 . 5.500 5.107 4.699 5.730 0.230 11 0 "[ . 1 . 2]" 1
483 1 38 LYS HB3 1 38 LYS HD2 4.900 . 5.500 3.493 2.462 3.771 . 0 0 "[ . 1 . 2]" 1
484 1 38 LYS HE2 1 38 LYS HG3 3.900 . 4.500 2.893 2.323 3.715 . 0 0 "[ . 1 . 2]" 1
485 1 38 LYS HG2 1 39 TYR H 4.900 . 5.500 4.778 3.498 5.184 . 0 0 "[ . 1 . 2]" 1
486 1 40 ASN HB2 1 41 PRO HD2 4.900 . 5.500 3.741 2.068 4.365 . 0 0 "[ . 1 . 2]" 1
487 1 41 PRO HA 1 45 LEU MD2 4.900 . 5.500 2.880 1.966 4.498 . 0 0 "[ . 1 . 2]" 1
488 1 41 PRO HB2 1 45 LEU HG 4.900 . 5.500 3.957 2.964 5.057 . 0 0 "[ . 1 . 2]" 1
489 1 41 PRO HB2 1 46 ALA HA 4.900 . 5.500 3.061 2.448 4.374 . 0 0 "[ . 1 . 2]" 1
490 1 41 PRO HB2 1 49 ILE MD 4.900 . 5.500 3.510 2.400 4.548 . 0 0 "[ . 1 . 2]" 1
491 1 41 PRO HB2 1 49 ILE MG 3.900 . 4.500 3.383 2.653 4.536 0.036 8 0 "[ . 1 . 2]" 1
492 1 41 PRO HB3 1 42 SER H 4.900 . 5.500 3.450 3.235 3.690 . 0 0 "[ . 1 . 2]" 1
493 1 41 PRO HB3 1 45 LEU MD2 3.900 . 4.500 3.126 1.973 4.748 0.248 15 0 "[ . 1 . 2]" 1
494 1 41 PRO HD2 1 49 ILE MD 4.900 . 5.500 4.488 3.501 5.550 0.050 12 0 "[ . 1 . 2]" 1
495 1 41 PRO HD3 1 49 ILE MD 4.900 . 5.500 4.636 3.996 5.411 . 0 0 "[ . 1 . 2]" 1
496 1 41 PRO HG2 1 46 ALA MB 4.900 . 5.500 4.176 3.065 4.877 . 0 0 "[ . 1 . 2]" 1
497 1 41 PRO HG2 1 49 ILE MG 3.900 . 4.500 3.295 2.445 4.561 0.061 12 0 "[ . 1 . 2]" 1
498 1 41 PRO HG2 1 60 ILE MD 5.200 . 6.000 5.077 4.103 6.064 0.064 5 0 "[ . 1 . 2]" 1
499 1 41 PRO HG3 1 45 LEU MD1 3.900 . 4.500 4.222 3.570 4.795 0.295 1 0 "[ . 1 . 2]" 1
500 1 41 PRO HG3 1 46 ALA MB 4.900 . 5.500 5.093 4.253 5.649 0.149 16 0 "[ . 1 . 2]" 1
501 1 42 SER H 1 45 LEU MD1 4.900 . 5.500 3.373 1.812 4.763 0.088 15 0 "[ . 1 . 2]" 1
502 1 43 LEU HA 1 43 LEU MD1 3.900 . 4.500 2.948 2.064 3.775 . 0 0 "[ . 1 . 2]" 1
503 1 43 LEU HA 1 43 LEU MD2 4.900 . 5.500 2.510 1.891 3.779 0.009 5 0 "[ . 1 . 2]" 1
504 1 43 LEU HA 1 46 ALA MB 3.900 . 4.500 1.976 1.827 2.348 0.173 12 0 "[ . 1 . 2]" 1
505 1 43 LEU HA 1 57 LEU MD1 4.900 . 5.500 3.669 2.634 4.717 . 0 0 "[ . 1 . 2]" 1
506 1 43 LEU HA 1 57 LEU MD2 3.900 . 4.500 2.852 2.141 4.324 . 0 0 "[ . 1 . 2]" 1
507 1 43 LEU HA 1 60 ILE MD 4.900 . 5.500 3.877 2.963 4.654 . 0 0 "[ . 1 . 2]" 1
508 1 43 LEU MD1 1 57 LEU HA 4.900 . 5.500 5.354 4.124 5.685 0.185 6 0 "[ . 1 . 2]" 1
509 1 43 LEU MD1 1 57 LEU MD1 3.900 . 4.500 2.625 1.937 3.455 0.063 4 0 "[ . 1 . 2]" 1
510 1 43 LEU MD1 1 57 LEU MD2 4.900 . 5.500 3.218 1.850 5.025 0.050 1 0 "[ . 1 . 2]" 1
511 1 43 LEU MD1 1 60 ILE MD 3.900 . 4.500 3.778 2.326 4.519 0.019 18 0 "[ . 1 . 2]" 1
512 1 43 LEU MD1 1 60 ILE MG 5.200 . 6.000 5.858 4.680 6.291 0.291 20 0 "[ . 1 . 2]" 1
513 1 43 LEU MD2 1 46 ALA MB 4.900 . 5.500 3.118 2.120 4.927 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU MD2 1 57 LEU MD1 4.900 . 5.500 2.290 1.852 4.301 0.048 14 0 "[ . 1 . 2]" 1
515 1 43 LEU MD2 1 57 LEU MD2 4.900 . 5.500 2.965 1.872 3.761 0.028 19 0 "[ . 1 . 2]" 1
516 1 43 LEU MD2 1 60 ILE MD 3.900 . 4.500 3.230 1.996 4.562 0.062 10 0 "[ . 1 . 2]" 1
517 1 43 LEU MD2 1 60 ILE HG13 3.900 . 4.500 3.753 2.514 4.704 0.204 4 0 "[ . 1 . 2]" 1
518 1 44 GLN HA 1 47 LEU QD 4.900 . 5.500 3.179 2.020 4.508 . 0 0 "[ . 1 . 2]" 1
519 1 44 GLN QG 1 45 LEU H 3.900 . 4.500 3.850 1.957 4.284 0.043 10 0 "[ . 1 . 2]" 1
520 1 45 LEU H 1 45 LEU MD1 4.900 . 5.500 3.737 3.268 4.131 . 0 0 "[ . 1 . 2]" 1
521 1 45 LEU H 1 45 LEU MD2 4.900 . 5.500 3.596 1.918 4.312 . 0 0 "[ . 1 . 2]" 1
522 1 45 LEU HA 1 45 LEU HG 3.900 . 4.500 3.442 3.182 3.664 . 0 0 "[ . 1 . 2]" 1
523 1 45 LEU HA 1 46 ALA HA 5.200 . 6.000 4.778 4.698 4.840 . 0 0 "[ . 1 . 2]" 1
524 1 45 LEU HA 1 49 ILE H 4.900 . 5.500 4.658 3.698 5.071 . 0 0 "[ . 1 . 2]" 1
525 1 45 LEU MD1 1 46 ALA MB 3.900 . 4.500 3.920 2.598 4.931 0.431 5 0 "[ . 1 . 2]" 1
526 1 45 LEU MD1 1 48 LYS H 5.200 . 6.000 4.603 3.779 6.106 0.106 4 0 "[ . 1 . 2]" 1
527 1 45 LEU MD1 1 49 ILE H 4.900 . 5.500 4.034 3.092 5.552 0.052 15 0 "[ . 1 . 2]" 1
528 1 45 LEU HG 1 46 ALA H 4.900 . 5.500 2.921 2.401 3.495 . 0 0 "[ . 1 . 2]" 1
529 1 45 LEU HG 1 46 ALA HA 3.900 . 4.500 3.864 3.144 4.564 0.064 13 0 "[ . 1 . 2]" 1
530 1 45 LEU HG 1 46 ALA MB 4.900 . 5.500 3.976 3.520 4.251 . 0 0 "[ . 1 . 2]" 1
531 1 45 LEU HG 1 47 LEU H 4.900 . 5.500 5.106 4.833 5.407 . 0 0 "[ . 1 . 2]" 1
532 1 46 ALA H 1 46 ALA MB 4.900 . 5.500 2.231 2.159 2.285 . 0 0 "[ . 1 . 2]" 1
533 1 46 ALA HA 1 49 ILE MG 3.900 . 4.500 2.135 1.780 3.705 0.220 3 0 "[ . 1 . 2]" 1
534 1 46 ALA HA 1 57 LEU MD2 4.900 . 5.500 4.216 3.826 5.384 . 0 0 "[ . 1 . 2]" 1
535 1 46 ALA MB 1 49 ILE MG 3.900 . 4.500 3.049 2.132 4.071 . 0 0 "[ . 1 . 2]" 1
536 1 46 ALA MB 1 57 LEU MD1 4.900 . 5.500 3.394 1.835 4.145 0.065 18 0 "[ . 1 . 2]" 1
537 1 46 ALA MB 1 60 ILE MD 4.900 . 5.500 2.243 1.909 2.726 . 0 0 "[ . 1 . 2]" 1
538 1 47 LEU H 1 57 LEU MD1 4.900 . 5.500 4.991 3.191 5.552 0.052 9 0 "[ . 1 . 2]" 1
539 1 47 LEU HA 1 47 LEU QD 3.900 . 4.500 2.167 1.961 3.411 0.039 11 0 "[ . 1 . 2]" 1
540 1 47 LEU HA 1 48 LYS HA 4.900 . 5.500 4.773 4.644 4.841 . 0 0 "[ . 1 . 2]" 1
541 1 47 LEU HA 1 57 LEU MD1 4.900 . 5.500 4.703 2.584 5.423 . 0 0 "[ . 1 . 2]" 1
542 1 47 LEU HA 1 57 LEU MD2 3.900 . 4.500 2.581 1.992 3.740 0.008 15 0 "[ . 1 . 2]" 1
543 1 49 ILE H 1 49 ILE MG 4.900 . 5.500 2.406 1.764 3.773 0.136 13 0 "[ . 1 . 2]" 1
544 1 49 ILE HA 1 49 ILE HG12 3.900 . 4.500 2.964 2.489 3.745 . 0 0 "[ . 1 . 2]" 1
545 1 49 ILE MD 1 49 ILE MG 3.900 . 4.500 1.932 1.798 2.014 0.202 11 0 "[ . 1 . 2]" 1
546 1 49 ILE MD 1 50 ALA H 4.900 . 5.500 4.356 3.101 4.813 . 0 0 "[ . 1 . 2]" 1
547 1 49 ILE MD 1 50 ALA MB 4.900 . 5.500 4.895 3.409 5.520 0.020 6 0 "[ . 1 . 2]" 1
548 1 49 ILE HG12 1 53 LEU QD 4.900 . 5.500 3.285 1.846 5.512 0.054 19 0 "[ . 1 . 2]" 1
549 1 49 ILE MG 1 50 ALA MB 3.900 . 4.500 3.330 2.814 4.284 . 0 0 "[ . 1 . 2]" 1
550 1 49 ILE MG 1 60 ILE MD 4.900 . 5.500 4.004 3.051 5.522 0.022 17 0 "[ . 1 . 2]" 1
551 1 50 ALA H 1 50 ALA MB 4.900 . 5.500 2.188 2.072 2.276 . 0 0 "[ . 1 . 2]" 1
552 1 50 ALA HA 1 53 LEU MD1 4.900 . 5.500 3.896 2.517 5.044 . 0 0 "[ . 1 . 2]" 1
553 1 50 ALA HA 1 53 LEU QD 3.900 . 4.500 3.075 2.505 3.696 . 0 0 "[ . 1 . 2]" 1
554 1 50 ALA HA 1 53 LEU MD2 4.900 . 5.500 4.014 2.614 5.287 . 0 0 "[ . 1 . 2]" 1
555 1 50 ALA HA 1 55 THR MG 4.900 . 5.500 2.814 2.157 3.652 . 0 0 "[ . 1 . 2]" 1
556 1 50 ALA MB 1 51 TYR HA 3.900 . 4.500 3.741 3.603 3.895 . 0 0 "[ . 1 . 2]" 1
557 1 50 ALA MB 1 52 TYR H 4.900 . 5.500 4.580 4.417 4.751 . 0 0 "[ . 1 . 2]" 1
558 1 50 ALA MB 1 53 LEU H 4.900 . 5.500 4.408 4.186 4.631 . 0 0 "[ . 1 . 2]" 1
559 1 50 ALA MB 1 53 LEU QD 4.900 . 5.500 3.946 3.423 4.567 . 0 0 "[ . 1 . 2]" 1
560 1 50 ALA MB 1 55 THR MG 3.900 . 4.500 2.619 1.996 3.339 0.004 4 0 "[ . 1 . 2]" 1
561 1 50 ALA MB 1 60 ILE MD 3.900 . 4.500 2.804 2.312 3.493 . 0 0 "[ . 1 . 2]" 1
562 1 50 ALA MB 1 60 ILE MG 4.900 . 5.500 3.463 2.354 5.198 . 0 0 "[ . 1 . 2]" 1
563 1 53 LEU QD 1 54 ASN H 3.900 . 4.500 4.162 3.798 4.414 . 0 0 "[ . 1 . 2]" 1
564 1 53 LEU QD 1 54 ASN HA 4.900 . 5.500 5.239 4.677 5.668 0.168 15 0 "[ . 1 . 2]" 1
565 1 53 LEU QD 1 54 ASN HB2 4.900 . 5.500 3.813 3.185 4.338 . 0 0 "[ . 1 . 2]" 1
566 1 53 LEU QD 1 54 ASN HB3 4.900 . 5.500 5.108 4.456 5.620 0.120 2 0 "[ . 1 . 2]" 1
567 1 53 LEU QD 1 55 THR H 4.900 . 5.500 4.248 3.652 4.691 . 0 0 "[ . 1 . 2]" 1
568 1 53 LEU QD 1 55 THR MG 3.900 . 4.500 2.784 2.066 3.437 . 0 0 "[ . 1 . 2]" 1
569 1 53 LEU QD 1 60 ILE MD 4.900 . 5.500 4.271 3.502 5.283 . 0 0 "[ . 1 . 2]" 1
570 1 53 LEU MD1 1 55 THR MG 4.900 . 5.500 3.631 2.104 5.019 . 0 0 "[ . 1 . 2]" 1
571 1 53 LEU MD2 1 55 THR MG 4.900 . 5.500 3.697 2.073 4.852 . 0 0 "[ . 1 . 2]" 1
572 1 54 ASN HB2 1 55 THR MG 4.900 . 5.500 5.586 5.527 5.647 0.147 13 0 "[ . 1 . 2]" 1
573 1 54 ASN HB3 1 55 THR H 4.900 . 5.500 4.334 4.264 4.380 . 0 0 "[ . 1 . 2]" 1
574 1 54 ASN HB3 1 55 THR HA 3.900 . 4.500 4.596 4.525 4.667 0.167 10 0 "[ . 1 . 2]" 1
575 1 54 ASN HB3 1 55 THR HB 3.900 . 4.500 4.780 4.692 4.842 0.342 5 0 "[ . 1 . 2]" 1
576 1 55 THR HA 1 56 PRO HA 4.900 . 5.500 4.504 4.447 4.568 . 0 0 "[ . 1 . 2]" 1
577 1 55 THR MG 1 59 ASP HB3 4.900 . 5.500 2.323 1.872 3.505 0.028 9 0 "[ . 1 . 2]" 1
578 1 55 THR MG 1 60 ILE MD 4.900 . 5.500 3.512 3.073 4.176 . 0 0 "[ . 1 . 2]" 1
579 1 55 THR MG 1 60 ILE MG 4.900 . 5.500 2.125 1.794 3.242 0.106 9 0 "[ . 1 . 2]" 1
580 1 57 LEU HA 1 57 LEU MD1 4.900 . 5.500 2.648 2.085 3.389 . 0 0 "[ . 1 . 2]" 1
581 1 57 LEU HA 1 60 ILE HG13 3.900 . 4.500 3.373 2.919 3.759 . 0 0 "[ . 1 . 2]" 1
582 1 57 LEU MD1 1 58 GLU HA 3.900 . 4.500 3.425 2.736 4.598 0.098 12 0 "[ . 1 . 2]" 1
583 1 57 LEU MD1 1 59 ASP H 4.900 . 5.500 4.624 4.442 5.325 . 0 0 "[ . 1 . 2]" 1
584 1 57 LEU MD2 1 58 GLU H 4.900 . 5.500 4.474 4.111 4.681 . 0 0 "[ . 1 . 2]" 1
585 1 57 LEU MD2 1 58 GLU HA 5.200 . 6.000 5.186 4.228 5.797 . 0 0 "[ . 1 . 2]" 1
586 1 57 LEU MD2 1 59 ASP H 4.900 . 5.500 5.188 4.685 5.796 0.296 12 0 "[ . 1 . 2]" 1
587 1 57 LEU MD2 1 60 ILE HG13 3.900 . 4.500 3.158 2.164 4.654 0.154 18 0 "[ . 1 . 2]" 1
588 1 59 ASP H 1 59 ASP HB2 3.900 . 4.500 2.506 2.294 2.644 . 0 0 "[ . 1 . 2]" 1
589 1 59 ASP H 1 60 ILE MG 4.900 . 5.500 4.247 3.998 4.486 . 0 0 "[ . 1 . 2]" 1
590 1 59 ASP HA 1 62 GLN HE22 4.900 . 5.500 3.341 2.328 4.893 . 0 0 "[ . 1 . 2]" 1
591 1 59 ASP HA 1 62 GLN QG 4.900 . 5.500 3.630 2.192 5.120 . 0 0 "[ . 1 . 2]" 1
592 1 59 ASP HB3 1 60 ILE MD 5.200 . 6.000 5.253 4.819 5.753 . 0 0 "[ . 1 . 2]" 1
593 1 59 ASP HB3 1 60 ILE MG 4.900 . 5.500 3.071 2.744 3.399 . 0 0 "[ . 1 . 2]" 1
594 1 60 ILE H 1 60 ILE MG 4.900 . 5.500 2.550 2.285 2.711 . 0 0 "[ . 1 . 2]" 1
595 1 60 ILE MD 1 60 ILE MG 3.900 . 4.500 2.019 1.925 2.133 0.075 6 0 "[ . 1 . 2]" 1
596 1 64 GLN QB 1 64 GLN QE 4.900 . 5.500 2.676 1.843 3.691 0.057 20 0 "[ . 1 . 2]" 1
597 1 64 GLN QE 1 64 GLN QG 3.900 . 4.500 2.459 2.164 2.852 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:39:34 PM GMT (wattos1)