NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
455428 |
2khx   |
16256 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khx
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 456
_Distance_constraint_stats_list.Viol_count 230
_Distance_constraint_stats_list.Viol_total 157.659
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0685
_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 6 GLN 0.096 0.040 3 0 "[ . 1]"
1 7 LEU 1.576 0.156 4 0 "[ . 1]"
1 8 GLN 0.000 0.000 . 0 "[ . 1]"
1 9 GLN 0.106 0.093 7 0 "[ . 1]"
1 10 CYS 0.042 0.030 3 0 "[ . 1]"
1 11 CYS 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.419 0.139 2 0 "[ . 1]"
1 13 THR 0.109 0.093 7 0 "[ . 1]"
1 14 LEU 0.793 0.139 2 0 "[ . 1]"
1 15 ARG 0.000 0.000 . 0 "[ . 1]"
1 16 THR 1.142 0.184 10 0 "[ . 1]"
1 17 GLU 0.000 0.000 . 0 "[ . 1]"
1 18 GLY 0.000 0.000 . 0 "[ . 1]"
1 19 LYS 2.203 0.184 10 0 "[ . 1]"
1 20 GLU 1.062 0.180 10 0 "[ . 1]"
1 22 ASP 0.448 0.256 10 0 "[ . 1]"
1 23 ILE 3.706 0.427 10 0 "[ . 1]"
1 24 PRO 0.152 0.077 5 0 "[ . 1]"
1 25 LEU 1.425 0.250 9 0 "[ . 1]"
1 26 TYR 0.038 0.023 5 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 28 THR 0.316 0.191 8 0 "[ . 1]"
1 29 LEU 0.376 0.191 8 0 "[ . 1]"
1 30 GLN 0.000 0.000 . 0 "[ . 1]"
1 31 THR 0.617 0.070 7 0 "[ . 1]"
1 32 VAL 0.000 0.000 . 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 PRO 0.261 0.068 4 0 "[ . 1]"
1 36 HIS 0.000 0.000 . 0 "[ . 1]"
1 37 ALA 0.261 0.068 4 0 "[ . 1]"
1 38 ARG 0.784 0.088 7 0 "[ . 1]"
1 39 THR 0.597 0.251 6 0 "[ . 1]"
1 40 TYR 0.557 0.088 7 0 "[ . 1]"
1 41 THR 0.035 0.023 6 0 "[ . 1]"
1 42 VAL 0.541 0.146 2 0 "[ . 1]"
1 43 ALA 0.186 0.070 8 0 "[ . 1]"
1 44 VAL 2.373 0.156 4 0 "[ . 1]"
1 45 TYR 0.277 0.063 2 0 "[ . 1]"
1 46 PHE 0.317 0.107 8 0 "[ . 1]"
1 47 LYS 0.059 0.054 3 0 "[ . 1]"
1 48 GLY 0.000 0.000 . 0 "[ . 1]"
1 49 GLU 0.018 0.018 3 0 "[ . 1]"
1 50 ARG 0.175 0.140 7 0 "[ . 1]"
1 51 ILE 1.577 0.154 7 0 "[ . 1]"
1 52 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.632 0.251 6 0 "[ . 1]"
1 56 GLY 0.000 0.000 . 0 "[ . 1]"
1 57 PRO 0.000 0.000 . 0 "[ . 1]"
1 58 SER 0.229 0.100 2 0 "[ . 1]"
1 59 ILE 0.935 0.422 2 0 "[ . 1]"
1 60 GLN 0.024 0.024 2 0 "[ . 1]"
1 61 GLN 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 0.045 0.025 9 0 "[ . 1]"
1 63 GLU 0.191 0.083 2 0 "[ . 1]"
1 64 MET 0.000 0.000 . 0 "[ . 1]"
1 65 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 ALA 0.139 0.045 2 0 "[ . 1]"
1 67 ALA 0.025 0.025 3 0 "[ . 1]"
1 69 ASP 0.000 0.000 . 0 "[ . 1]"
1 70 ALA 0.575 0.154 7 0 "[ . 1]"
1 71 LEU 0.096 0.040 3 0 "[ . 1]"
1 72 GLU 1.412 0.192 7 0 "[ . 1]"
1 73 LYS 1.412 0.192 7 0 "[ . 1]"
1 74 TYR 0.594 0.107 8 0 "[ . 1]"
1 75 ASN 0.000 0.000 . 0 "[ . 1]"
1 76 PHE 0.000 0.000 . 0 "[ . 1]"
1 77 PRO 0.024 0.024 10 0 "[ . 1]"
1 78 GLN 1.371 0.152 7 0 "[ . 1]"
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 6 GLN QG 1 71 LEU QD 3.000 . 3.300 2.913 2.213 3.320 0.020 6 0 "[ . 1]" 1
2 1 6 GLN QG 1 71 LEU HG 4.000 . 5.000 4.551 2.788 5.040 0.040 3 0 "[ . 1]" 1
3 1 7 LEU H 1 8 GLN H 4.000 . 5.000 2.672 2.622 2.727 . 0 0 "[ . 1]" 1
4 1 7 LEU HA 1 7 LEU MD1 4.000 . 5.000 3.632 2.246 3.809 . 0 0 "[ . 1]" 1
5 1 7 LEU HA 1 7 LEU QD 3.000 . 3.300 2.125 1.992 2.260 . 0 0 "[ . 1]" 1
6 1 7 LEU HA 1 7 LEU MD2 4.000 . 5.000 2.159 2.064 2.278 . 0 0 "[ . 1]" 1
7 1 7 LEU HA 1 7 LEU HG 4.000 . 5.000 2.907 2.442 3.682 . 0 0 "[ . 1]" 1
8 1 7 LEU HA 1 10 CYS HB2 4.000 . 5.000 2.645 2.409 2.900 . 0 0 "[ . 1]" 1
9 1 7 LEU HA 1 10 CYS QB 4.000 . 5.000 2.620 2.391 2.866 . 0 0 "[ . 1]" 1
10 1 7 LEU HA 1 10 CYS HB3 4.000 . 5.000 4.237 4.008 4.485 . 0 0 "[ . 1]" 1
11 1 7 LEU QB 1 67 ALA MB 4.000 . 5.000 4.313 3.922 4.808 . 0 0 "[ . 1]" 1
12 1 7 LEU QD 1 10 CYS HA 4.000 . 6.000 5.920 5.802 6.030 0.030 3 0 "[ . 1]" 1
13 1 7 LEU QD 1 10 CYS QB 4.000 . 5.000 3.425 3.293 3.576 . 0 0 "[ . 1]" 1
14 1 7 LEU QD 1 24 PRO QD 4.000 . 6.000 4.615 4.080 5.687 . 0 0 "[ . 1]" 1
15 1 7 LEU QD 1 24 PRO QG 4.000 . 5.000 3.749 3.118 4.241 . 0 0 "[ . 1]" 1
16 1 7 LEU QD 1 44 VAL MG1 3.000 . 3.300 3.364 3.253 3.456 0.156 4 0 "[ . 1]" 1
17 1 7 LEU QD 1 44 VAL MG2 3.000 . 3.300 3.355 3.278 3.434 0.134 1 0 "[ . 1]" 1
18 1 7 LEU QD 1 51 ILE MD 4.000 . 5.000 3.585 3.399 3.881 . 0 0 "[ . 1]" 1
19 1 7 LEU QD 1 67 ALA HA 3.000 . 3.300 2.502 2.200 2.875 . 0 0 "[ . 1]" 1
20 1 7 LEU QD 1 67 ALA MB 3.000 . 3.300 2.500 2.020 2.950 . 0 0 "[ . 1]" 1
21 1 7 LEU QD 1 71 LEU HA 4.000 . 5.000 4.669 4.013 4.990 . 0 0 "[ . 1]" 1
22 1 7 LEU MD1 1 44 VAL MG1 4.000 . 5.000 3.733 3.291 4.156 . 0 0 "[ . 1]" 1
23 1 7 LEU MD1 1 51 ILE MD 4.000 . 5.000 4.552 3.521 5.069 0.069 1 0 "[ . 1]" 1
24 1 7 LEU MD1 1 67 ALA HA 4.000 . 5.000 2.706 2.210 4.010 . 0 0 "[ . 1]" 1
25 1 7 LEU MD1 1 67 ALA MB 4.000 . 5.000 2.744 2.029 4.137 . 0 0 "[ . 1]" 1
26 1 7 LEU MD1 1 70 ALA MB 3.000 . 3.300 3.027 2.332 3.386 0.086 4 0 "[ . 1]" 1
27 1 7 LEU MD2 1 44 VAL MG1 4.000 . 5.000 4.011 3.519 5.096 0.096 8 0 "[ . 1]" 1
28 1 7 LEU MD2 1 51 ILE MD 4.000 . 5.000 3.896 3.543 4.969 . 0 0 "[ . 1]" 1
29 1 7 LEU MD2 1 67 ALA HA 4.000 . 5.000 3.714 2.755 4.656 . 0 0 "[ . 1]" 1
30 1 7 LEU MD2 1 67 ALA MB 4.000 . 5.000 3.912 2.324 4.907 . 0 0 "[ . 1]" 1
31 1 7 LEU MD2 1 70 ALA MB 3.000 . 3.300 2.597 2.177 3.091 . 0 0 "[ . 1]" 1
32 1 9 GLN HA 1 9 GLN QG 3.000 . 3.300 2.511 2.296 2.809 . 0 0 "[ . 1]" 1
33 1 9 GLN HA 1 12 LEU QB 4.000 . 5.000 3.403 3.138 3.609 . 0 0 "[ . 1]" 1
34 1 9 GLN HA 1 12 LEU QD 4.000 . 5.000 2.602 2.293 3.178 . 0 0 "[ . 1]" 1
35 1 9 GLN HA 1 13 THR MG 4.000 . 5.000 4.787 4.592 5.012 0.012 7 0 "[ . 1]" 1
36 1 9 GLN QB 1 10 CYS HA 4.000 . 5.000 3.892 3.864 3.922 . 0 0 "[ . 1]" 1
37 1 9 GLN QB 1 13 THR MG 4.000 . 5.000 4.151 3.841 4.518 . 0 0 "[ . 1]" 1
38 1 9 GLN HB2 1 10 CYS HA 4.000 . 6.000 4.398 4.302 4.462 . 0 0 "[ . 1]" 1
39 1 9 GLN HB3 1 10 CYS HA 4.000 . 6.000 4.341 4.304 4.406 . 0 0 "[ . 1]" 1
40 1 9 GLN QG 1 12 LEU QD 4.000 . 5.000 4.046 3.254 4.852 . 0 0 "[ . 1]" 1
41 1 9 GLN QG 1 13 THR MG 4.000 . 6.000 5.709 5.405 6.093 0.093 7 0 "[ . 1]" 1
42 1 10 CYS HA 1 13 THR MG 3.000 . 3.300 2.916 2.649 3.168 . 0 0 "[ . 1]" 1
43 1 11 CYS H 1 13 THR H 4.000 . 5.000 4.306 4.251 4.350 . 0 0 "[ . 1]" 1
44 1 11 CYS HA 1 14 LEU QB 4.000 . 5.000 3.029 2.834 3.217 . 0 0 "[ . 1]" 1
45 1 11 CYS HA 1 14 LEU MD2 4.000 . 5.000 4.651 4.409 4.866 . 0 0 "[ . 1]" 1
46 1 11 CYS HA 1 14 LEU HG 4.000 . 5.000 3.232 2.920 3.532 . 0 0 "[ . 1]" 1
47 1 12 LEU H 1 13 THR H 3.000 . 3.300 2.679 2.658 2.702 . 0 0 "[ . 1]" 1
48 1 12 LEU HA 1 12 LEU QD 3.000 . 3.300 2.131 1.976 2.437 . 0 0 "[ . 1]" 1
49 1 12 LEU HA 1 13 THR MG 4.000 . 5.000 4.947 4.867 5.003 0.003 8 0 "[ . 1]" 1
50 1 12 LEU HA 1 14 LEU HG 4.000 . 6.000 6.022 5.918 6.139 0.139 2 0 "[ . 1]" 1
51 1 12 LEU QD 1 13 THR MG 4.000 . 5.000 4.284 4.154 4.433 . 0 0 "[ . 1]" 1
52 1 13 THR H 1 14 LEU H 3.000 . 3.300 2.649 2.606 2.693 . 0 0 "[ . 1]" 1
53 1 13 THR HA 1 13 THR MG 3.000 . 3.300 2.301 2.260 2.353 . 0 0 "[ . 1]" 1
54 1 13 THR MG 1 14 LEU MD2 4.000 . 5.000 4.767 4.528 4.884 . 0 0 "[ . 1]" 1
55 1 13 THR MG 1 14 LEU HG 4.000 . 5.000 4.761 4.631 4.902 . 0 0 "[ . 1]" 1
56 1 14 LEU HA 1 14 LEU MD2 4.000 . 5.000 2.133 2.107 2.156 . 0 0 "[ . 1]" 1
57 1 14 LEU HA 1 14 LEU HG 4.000 . 5.000 3.058 3.013 3.137 . 0 0 "[ . 1]" 1
58 1 14 LEU QB 1 14 LEU MD2 3.000 . 3.300 2.237 2.216 2.267 . 0 0 "[ . 1]" 1
59 1 14 LEU MD1 1 23 ILE HB 4.000 . 5.000 4.884 4.491 5.019 0.019 4 0 "[ . 1]" 1
60 1 14 LEU MD1 1 23 ILE MG 3.000 . 3.300 2.335 2.118 2.500 . 0 0 "[ . 1]" 1
61 1 14 LEU MD1 1 24 PRO QD 4.000 . 5.000 2.849 2.133 3.173 . 0 0 "[ . 1]" 1
62 1 14 LEU MD1 1 46 PHE QE 4.000 . 5.000 4.261 3.578 4.576 . 0 0 "[ . 1]" 1
63 1 14 LEU MD1 1 74 TYR QE 4.000 . 5.000 3.618 2.899 4.056 . 0 0 "[ . 1]" 1
64 1 14 LEU MD1 1 78 GLN QG 4.000 . 5.000 2.669 2.141 3.315 . 0 0 "[ . 1]" 1
65 1 14 LEU MD2 1 24 PRO QD 4.000 . 5.000 4.750 4.134 5.077 0.077 5 0 "[ . 1]" 1
66 1 14 LEU MD2 1 46 PHE QE 4.000 . 6.000 5.190 4.236 5.727 . 0 0 "[ . 1]" 1
67 1 14 LEU MD2 1 46 PHE HZ 4.000 . 6.000 5.448 4.739 6.089 0.089 7 0 "[ . 1]" 1
68 1 14 LEU MD2 1 74 TYR QD 4.000 . 5.000 4.651 4.268 5.053 0.053 9 0 "[ . 1]" 1
69 1 14 LEU MD2 1 74 TYR QE 4.000 . 5.000 4.704 3.786 5.036 0.036 4 0 "[ . 1]" 1
70 1 14 LEU HG 1 23 ILE MG 4.000 . 5.000 4.405 3.968 4.825 . 0 0 "[ . 1]" 1
71 1 15 ARG QB 1 15 ARG QD 3.000 . 3.300 2.261 2.121 2.672 . 0 0 "[ . 1]" 1
72 1 16 THR HA 1 16 THR MG 3.000 . 3.300 2.259 2.211 2.302 . 0 0 "[ . 1]" 1
73 1 16 THR HA 1 17 GLU QB 4.000 . 5.000 4.059 4.005 4.166 . 0 0 "[ . 1]" 1
74 1 16 THR HB 1 19 LYS QB 4.000 . 5.000 3.284 2.469 4.490 . 0 0 "[ . 1]" 1
75 1 16 THR HB 1 19 LYS QD 4.000 . 5.000 4.595 4.204 4.887 . 0 0 "[ . 1]" 1
76 1 16 THR HB 1 19 LYS QG 4.000 . 5.000 5.010 4.356 5.184 0.184 10 0 "[ . 1]" 1
77 1 16 THR MG 1 17 GLU HA 4.000 . 5.000 4.001 3.672 4.277 . 0 0 "[ . 1]" 1
78 1 16 THR MG 1 17 GLU QB 4.000 . 5.000 4.048 3.207 4.385 . 0 0 "[ . 1]" 1
79 1 16 THR MG 1 17 GLU QG 4.000 . 6.000 5.160 4.721 5.586 . 0 0 "[ . 1]" 1
80 1 16 THR MG 1 19 LYS HA 4.000 . 5.000 4.536 4.016 4.719 . 0 0 "[ . 1]" 1
81 1 16 THR MG 1 19 LYS QD 3.000 . 3.300 2.383 2.161 2.622 . 0 0 "[ . 1]" 1
82 1 16 THR MG 1 19 LYS QE 4.000 . 5.000 3.503 3.053 3.909 . 0 0 "[ . 1]" 1
83 1 16 THR MG 1 19 LYS QG 3.000 . 3.300 3.111 2.675 3.386 0.086 5 0 "[ . 1]" 1
84 1 17 GLU HA 1 17 GLU QG 3.000 . 3.300 2.498 2.283 2.789 . 0 0 "[ . 1]" 1
85 1 17 GLU HA 1 18 GLY QA 4.000 . 5.000 3.941 3.879 3.998 . 0 0 "[ . 1]" 1
86 1 17 GLU QB 1 18 GLY QA 4.000 . 5.000 4.239 4.086 4.556 . 0 0 "[ . 1]" 1
87 1 17 GLU QB 1 19 LYS QG 4.000 . 6.000 5.202 3.776 5.988 . 0 0 "[ . 1]" 1
88 1 17 GLU QG 1 18 GLY QA 4.000 . 5.000 3.314 3.006 4.035 . 0 0 "[ . 1]" 1
89 1 18 GLY QA 1 19 LYS HA 4.000 . 5.000 4.050 4.011 4.074 . 0 0 "[ . 1]" 1
90 1 18 GLY QA 1 19 LYS QG 4.000 . 5.000 3.486 3.286 4.002 . 0 0 "[ . 1]" 1
91 1 19 LYS H 1 20 GLU H 4.000 . 5.000 4.349 4.272 4.422 . 0 0 "[ . 1]" 1
92 1 19 LYS QB 1 19 LYS QE 4.000 . 5.000 2.162 2.096 2.242 . 0 0 "[ . 1]" 1
93 1 19 LYS QE 1 19 LYS QG 3.000 . 3.300 2.340 2.208 2.904 . 0 0 "[ . 1]" 1
94 1 19 LYS QE 1 20 GLU HB2 4.000 . 5.000 4.686 4.545 5.044 0.044 6 0 "[ . 1]" 1
95 1 19 LYS QE 1 20 GLU HB3 4.000 . 6.000 6.102 6.040 6.180 0.180 10 0 "[ . 1]" 1
96 1 22 ASP HA 1 23 ILE HB 4.000 . 6.000 4.856 4.756 4.967 . 0 0 "[ . 1]" 1
97 1 22 ASP HA 1 23 ILE MD 4.000 . 6.000 4.426 2.796 5.117 . 0 0 "[ . 1]" 1
98 1 22 ASP HA 1 23 ILE HG12 4.000 . 5.000 4.654 4.287 5.256 0.256 10 0 "[ . 1]" 1
99 1 22 ASP HA 1 23 ILE QG 4.000 . 5.000 3.360 3.070 3.829 . 0 0 "[ . 1]" 1
100 1 22 ASP HA 1 23 ILE HG13 4.000 . 5.000 3.449 3.134 3.934 . 0 0 "[ . 1]" 1
101 1 22 ASP HA 1 25 LEU QD 4.000 . 6.000 5.297 4.748 5.736 . 0 0 "[ . 1]" 1
102 1 22 ASP QB 1 23 ILE MG 4.000 . 6.000 5.338 5.238 5.494 . 0 0 "[ . 1]" 1
103 1 22 ASP QB 1 46 PHE QE 4.000 . 5.000 3.376 2.567 4.429 . 0 0 "[ . 1]" 1
104 1 22 ASP QB 1 46 PHE HZ 4.000 . 6.000 4.548 3.761 5.778 . 0 0 "[ . 1]" 1
105 1 22 ASP QB 1 47 LYS HA 4.000 . 6.000 5.302 4.017 6.054 0.054 3 0 "[ . 1]" 1
106 1 22 ASP QB 1 47 LYS QD 4.000 . 5.000 3.788 2.772 4.869 . 0 0 "[ . 1]" 1
107 1 22 ASP QB 1 47 LYS HG2 4.000 . 5.000 3.880 2.814 4.769 . 0 0 "[ . 1]" 1
108 1 22 ASP QB 1 47 LYS HG3 4.000 . 5.000 3.870 2.611 5.005 0.005 2 0 "[ . 1]" 1
109 1 23 ILE HB 1 23 ILE MD 3.000 . 3.300 2.257 2.178 2.384 . 0 0 "[ . 1]" 1
110 1 23 ILE HB 1 24 PRO QD 4.000 . 5.000 3.916 3.742 4.100 . 0 0 "[ . 1]" 1
111 1 23 ILE HB 1 25 LEU MD1 4.000 . 5.000 3.573 2.361 5.006 0.006 6 0 "[ . 1]" 1
112 1 23 ILE HB 1 25 LEU MD2 4.000 . 5.000 3.577 2.838 4.410 . 0 0 "[ . 1]" 1
113 1 23 ILE HB 1 78 GLN QG 4.000 . 6.000 6.028 5.771 6.135 0.135 2 0 "[ . 1]" 1
114 1 23 ILE MD 1 23 ILE MG 2.500 . 2.700 2.164 1.869 3.127 0.427 10 0 "[ . 1]" 1
115 1 23 ILE MD 1 24 PRO QD 4.000 . 5.000 4.675 4.379 4.810 . 0 0 "[ . 1]" 1
116 1 23 ILE MD 1 25 LEU QB 4.000 . 6.000 6.071 5.706 6.250 0.250 9 0 "[ . 1]" 1
117 1 23 ILE MD 1 78 GLN QG 4.000 . 5.000 4.984 4.820 5.072 0.072 4 0 "[ . 1]" 1
118 1 23 ILE QG 1 23 ILE MG 3.000 . 3.300 2.228 2.038 2.372 . 0 0 "[ . 1]" 1
119 1 23 ILE QG 1 24 PRO QD 4.000 . 5.000 4.014 3.791 4.184 . 0 0 "[ . 1]" 1
120 1 23 ILE MG 1 24 PRO QD 3.000 . 3.300 2.162 2.019 2.417 . 0 0 "[ . 1]" 1
121 1 23 ILE MG 1 78 GLN HG2 4.000 . 5.000 4.985 4.769 5.152 0.152 7 0 "[ . 1]" 1
122 1 23 ILE MG 1 78 GLN HG3 4.000 . 5.000 4.727 4.201 5.087 0.087 2 0 "[ . 1]" 1
123 1 24 PRO HA 1 25 LEU QD 4.000 . 5.000 4.089 3.239 4.480 . 0 0 "[ . 1]" 1
124 1 24 PRO HA 1 44 VAL MG1 4.000 . 5.000 3.659 3.186 4.033 . 0 0 "[ . 1]" 1
125 1 24 PRO QB 1 25 LEU QD 4.000 . 5.000 4.451 4.247 4.656 . 0 0 "[ . 1]" 1
126 1 24 PRO QD 1 25 LEU QD 4.000 . 5.000 4.532 3.916 4.939 . 0 0 "[ . 1]" 1
127 1 24 PRO QD 1 44 VAL MG1 4.000 . 6.000 4.852 4.705 5.292 . 0 0 "[ . 1]" 1
128 1 24 PRO QD 1 46 PHE QE 4.000 . 5.000 2.842 2.618 3.246 . 0 0 "[ . 1]" 1
129 1 24 PRO QD 1 78 GLN HG2 4.000 . 6.000 4.813 4.304 5.246 . 0 0 "[ . 1]" 1
130 1 24 PRO QD 1 78 GLN QG 4.000 . 5.000 4.211 3.481 4.564 . 0 0 "[ . 1]" 1
131 1 24 PRO QD 1 78 GLN HG3 4.000 . 6.000 4.731 3.567 5.218 . 0 0 "[ . 1]" 1
132 1 24 PRO QG 1 44 VAL MG1 4.000 . 5.000 3.556 3.187 4.020 . 0 0 "[ . 1]" 1
133 1 25 LEU H 1 45 TYR H 4.000 . 5.000 4.092 3.440 4.812 . 0 0 "[ . 1]" 1
134 1 25 LEU HA 1 25 LEU MD1 4.000 . 5.000 3.589 2.596 3.831 . 0 0 "[ . 1]" 1
135 1 25 LEU HA 1 25 LEU QD 3.000 . 3.300 2.231 2.109 2.672 . 0 0 "[ . 1]" 1
136 1 25 LEU HA 1 25 LEU MD2 4.000 . 5.000 2.458 2.119 3.714 . 0 0 "[ . 1]" 1
137 1 25 LEU HA 1 26 TYR QD 4.000 . 5.000 3.615 2.862 4.216 . 0 0 "[ . 1]" 1
138 1 25 LEU HA 1 44 VAL MG1 4.000 . 5.000 4.210 3.694 4.694 . 0 0 "[ . 1]" 1
139 1 25 LEU QB 1 25 LEU MD1 3.000 . 3.300 2.119 2.084 2.211 . 0 0 "[ . 1]" 1
140 1 25 LEU QB 1 25 LEU MD2 3.000 . 3.300 2.191 2.094 2.260 . 0 0 "[ . 1]" 1
141 1 25 LEU QB 1 44 VAL MG1 4.000 . 5.000 4.809 4.411 5.080 0.080 7 0 "[ . 1]" 1
142 1 25 LEU QD 1 44 VAL MG1 4.000 . 5.000 4.926 4.689 5.074 0.074 9 0 "[ . 1]" 1
143 1 26 TYR HA 1 42 VAL MG1 4.000 . 5.000 4.045 3.557 4.195 . 0 0 "[ . 1]" 1
144 1 26 TYR QB 1 42 VAL MG1 4.000 . 5.000 3.450 2.675 3.685 . 0 0 "[ . 1]" 1
145 1 26 TYR QD 1 42 VAL MG1 3.000 . 3.300 2.639 2.164 3.241 . 0 0 "[ . 1]" 1
146 1 26 TYR QD 1 44 VAL MG1 4.000 . 5.000 3.872 2.688 4.376 . 0 0 "[ . 1]" 1
147 1 26 TYR QD 1 44 VAL MG2 4.000 . 5.000 2.876 2.490 3.337 . 0 0 "[ . 1]" 1
148 1 26 TYR QD 1 63 GLU HA 4.000 . 5.000 4.284 3.781 4.838 . 0 0 "[ . 1]" 1
149 1 26 TYR QD 1 66 ALA MB 4.000 . 5.000 4.346 3.681 4.922 . 0 0 "[ . 1]" 1
150 1 26 TYR QD 1 67 ALA MB 4.000 . 6.000 5.354 5.122 5.712 . 0 0 "[ . 1]" 1
151 1 26 TYR QE 1 42 VAL MG1 4.000 . 5.000 3.559 2.617 4.600 . 0 0 "[ . 1]" 1
152 1 26 TYR QE 1 44 VAL HB 4.000 . 6.000 5.288 4.290 6.023 0.023 5 0 "[ . 1]" 1
153 1 26 TYR QE 1 44 VAL MG1 4.000 . 5.000 3.811 2.381 4.534 . 0 0 "[ . 1]" 1
154 1 26 TYR QE 1 44 VAL MG2 4.000 . 5.000 2.748 2.335 3.236 . 0 0 "[ . 1]" 1
155 1 26 TYR QE 1 63 GLU HA 4.000 . 5.000 3.656 2.510 5.012 0.012 6 0 "[ . 1]" 1
156 1 26 TYR QE 1 66 ALA MB 4.000 . 5.000 3.234 2.380 4.853 . 0 0 "[ . 1]" 1
157 1 26 TYR QE 1 67 ALA MB 4.000 . 5.000 3.658 3.466 4.018 . 0 0 "[ . 1]" 1
158 1 27 LYS H 1 43 ALA H 4.000 . 5.000 4.155 3.902 4.436 . 0 0 "[ . 1]" 1
159 1 28 THR HA 1 28 THR MG 3.000 . 3.300 2.286 2.257 2.322 . 0 0 "[ . 1]" 1
160 1 28 THR HA 1 42 VAL HB 4.000 . 6.000 5.587 5.444 5.749 . 0 0 "[ . 1]" 1
161 1 28 THR HA 1 42 VAL MG1 4.000 . 5.000 3.552 3.121 3.908 . 0 0 "[ . 1]" 1
162 1 28 THR HA 1 42 VAL MG2 3.000 . 3.300 2.951 2.762 3.109 . 0 0 "[ . 1]" 1
163 1 28 THR HA 1 62 ALA MB 4.000 . 6.000 5.946 5.835 6.025 0.025 9 0 "[ . 1]" 1
164 1 28 THR HB 1 42 VAL MG2 4.000 . 5.000 4.877 4.583 5.051 0.051 1 0 "[ . 1]" 1
165 1 28 THR HB 1 59 ILE MD 4.000 . 5.000 4.679 4.389 4.887 . 0 0 "[ . 1]" 1
166 1 28 THR MG 1 29 LEU QD 4.000 . 5.000 4.248 3.334 4.439 . 0 0 "[ . 1]" 1
167 1 28 THR MG 1 29 LEU HG 4.000 . 5.000 4.472 4.270 5.191 0.191 8 0 "[ . 1]" 1
168 1 28 THR MG 1 31 THR MG 4.000 . 5.000 4.114 3.869 4.476 . 0 0 "[ . 1]" 1
169 1 28 THR MG 1 40 TYR HA 4.000 . 5.000 4.729 4.460 5.012 0.012 4 0 "[ . 1]" 1
170 1 28 THR MG 1 40 TYR QB 4.000 . 5.000 4.259 4.072 4.524 . 0 0 "[ . 1]" 1
171 1 28 THR MG 1 40 TYR QD 4.000 . 5.000 3.552 3.331 3.860 . 0 0 "[ . 1]" 1
172 1 28 THR MG 1 40 TYR QE 4.000 . 5.000 4.559 4.251 4.962 . 0 0 "[ . 1]" 1
173 1 28 THR MG 1 42 VAL HA 4.000 . 5.000 4.044 3.535 4.449 . 0 0 "[ . 1]" 1
174 1 28 THR MG 1 42 VAL HB 4.000 . 6.000 5.518 5.169 5.793 . 0 0 "[ . 1]" 1
175 1 28 THR MG 1 59 ILE HA 4.000 . 5.000 4.704 4.427 5.012 0.012 2 0 "[ . 1]" 1
176 1 28 THR MG 1 59 ILE MD 3.000 . 3.300 2.414 2.132 2.556 . 0 0 "[ . 1]" 1
177 1 28 THR MG 1 59 ILE QG 4.000 . 5.000 3.478 3.106 3.782 . 0 0 "[ . 1]" 1
178 1 28 THR MG 1 59 ILE MG 4.000 . 5.000 3.074 2.780 3.462 . 0 0 "[ . 1]" 1
179 1 28 THR MG 1 62 ALA MB 4.000 . 5.000 4.853 4.601 5.003 0.003 10 0 "[ . 1]" 1
180 1 29 LEU HB2 1 30 GLN HB2 4.000 . 6.000 5.394 5.319 5.659 . 0 0 "[ . 1]" 1
181 1 29 LEU HB3 1 30 GLN HB2 4.000 . 5.000 4.305 4.158 4.397 . 0 0 "[ . 1]" 1
182 1 29 LEU HB3 1 30 GLN HB3 4.000 . 6.000 5.605 5.472 5.665 . 0 0 "[ . 1]" 1
183 1 29 LEU HB3 1 30 GLN QG 4.000 . 5.000 4.335 4.128 4.544 . 0 0 "[ . 1]" 1
184 1 29 LEU QD 1 41 THR MG 4.000 . 5.000 2.518 2.239 3.320 . 0 0 "[ . 1]" 1
185 1 29 LEU QD 1 43 ALA MB 3.000 . 3.300 2.476 2.140 2.777 . 0 0 "[ . 1]" 1
186 1 29 LEU MD1 1 43 ALA MB 3.000 . 3.300 2.683 2.176 3.370 0.070 8 0 "[ . 1]" 1
187 1 29 LEU MD2 1 43 ALA MB 3.000 . 3.300 3.134 2.354 3.357 0.057 6 0 "[ . 1]" 1
188 1 29 LEU HG 1 41 THR MG 4.000 . 5.000 4.009 3.194 4.485 . 0 0 "[ . 1]" 1
189 1 29 LEU HG 1 42 VAL HA 4.000 . 5.000 3.489 2.951 4.396 . 0 0 "[ . 1]" 1
190 1 29 LEU HG 1 43 ALA MB 4.000 . 5.000 3.669 3.197 3.852 . 0 0 "[ . 1]" 1
191 1 30 GLN HA 1 31 THR MG 4.000 . 5.000 3.339 3.207 3.500 . 0 0 "[ . 1]" 1
192 1 30 GLN HB2 1 32 VAL MG1 4.000 . 5.000 3.541 3.249 3.735 . 0 0 "[ . 1]" 1
193 1 30 GLN HB2 1 32 VAL MG2 4.000 . 5.000 3.997 3.427 4.406 . 0 0 "[ . 1]" 1
194 1 30 GLN HB3 1 32 VAL MG1 4.000 . 5.000 3.121 2.938 3.254 . 0 0 "[ . 1]" 1
195 1 30 GLN HB3 1 32 VAL MG2 4.000 . 5.000 4.341 3.814 4.760 . 0 0 "[ . 1]" 1
196 1 31 THR HA 1 31 THR MG 3.000 . 3.300 2.461 2.370 2.534 . 0 0 "[ . 1]" 1
197 1 31 THR HA 1 32 VAL MG2 4.000 . 5.000 3.545 3.470 3.728 . 0 0 "[ . 1]" 1
198 1 31 THR HA 1 38 ARG QD 4.000 . 6.000 5.609 5.178 5.865 . 0 0 "[ . 1]" 1
199 1 31 THR HB 1 38 ARG QD 4.000 . 5.000 3.566 3.181 3.996 . 0 0 "[ . 1]" 1
200 1 31 THR HB 1 38 ARG QG 4.000 . 5.000 3.428 2.944 4.797 . 0 0 "[ . 1]" 1
201 1 31 THR HB 1 40 TYR QE 4.000 . 5.000 4.868 4.688 5.028 0.028 9 0 "[ . 1]" 1
202 1 31 THR MG 1 38 ARG QD 3.000 . 3.300 3.357 3.328 3.370 0.070 7 0 "[ . 1]" 1
203 1 31 THR MG 1 38 ARG QG 4.000 . 5.000 4.182 3.925 4.624 . 0 0 "[ . 1]" 1
204 1 31 THR MG 1 40 TYR HA 4.000 . 5.000 2.589 2.293 2.823 . 0 0 "[ . 1]" 1
205 1 31 THR MG 1 40 TYR QB 4.000 . 5.000 3.910 3.588 4.119 . 0 0 "[ . 1]" 1
206 1 31 THR MG 1 40 TYR QD 4.000 . 5.000 2.891 2.693 3.058 . 0 0 "[ . 1]" 1
207 1 31 THR MG 1 40 TYR QE 3.000 . 3.300 2.715 2.570 3.099 . 0 0 "[ . 1]" 1
208 1 32 VAL H 1 39 THR H 4.000 . 5.000 4.250 3.751 4.812 . 0 0 "[ . 1]" 1
209 1 32 VAL HA 1 32 VAL HB 3.000 . 3.300 2.523 2.448 2.588 . 0 0 "[ . 1]" 1
210 1 32 VAL HA 1 32 VAL MG1 3.000 . 3.300 2.269 2.225 2.353 . 0 0 "[ . 1]" 1
211 1 32 VAL MG1 1 33 GLY QA 4.000 . 6.000 5.020 4.981 5.063 . 0 0 "[ . 1]" 1
212 1 32 VAL MG2 1 33 GLY QA 4.000 . 5.000 3.939 3.766 4.078 . 0 0 "[ . 1]" 1
213 1 33 GLY QA 1 34 PRO QD 4.000 . 5.000 2.043 2.033 2.059 . 0 0 "[ . 1]" 1
214 1 33 GLY QA 1 37 ALA MB 4.000 . 5.000 4.469 4.211 4.843 . 0 0 "[ . 1]" 1
215 1 34 PRO QD 1 37 ALA MB 4.000 . 5.000 4.806 4.557 4.977 . 0 0 "[ . 1]" 1
216 1 34 PRO QG 1 37 ALA MB 4.000 . 5.000 5.011 4.922 5.068 0.068 4 0 "[ . 1]" 1
217 1 36 HIS HA 1 37 ALA MB 4.000 . 6.000 4.903 4.875 4.924 . 0 0 "[ . 1]" 1
218 1 36 HIS QB 1 37 ALA MB 4.000 . 5.000 4.257 4.167 4.342 . 0 0 "[ . 1]" 1
219 1 38 ARG H 1 39 THR H 4.000 . 5.000 4.465 4.400 4.530 . 0 0 "[ . 1]" 1
220 1 38 ARG QD 1 40 TYR QE 4.000 . 5.000 3.970 3.695 4.622 . 0 0 "[ . 1]" 1
221 1 38 ARG QG 1 40 TYR QE 4.000 . 5.000 4.924 4.478 5.088 0.088 7 0 "[ . 1]" 1
222 1 39 THR H 1 40 TYR H 4.000 . 5.000 4.324 4.274 4.349 . 0 0 "[ . 1]" 1
223 1 39 THR HA 1 39 THR MG 3.000 . 3.300 2.321 2.287 2.356 . 0 0 "[ . 1]" 1
224 1 39 THR HA 1 40 TYR QB 4.000 . 5.000 4.358 4.333 4.392 . 0 0 "[ . 1]" 1
225 1 39 THR MG 1 40 TYR HA 4.000 . 5.000 3.942 3.889 4.074 . 0 0 "[ . 1]" 1
226 1 39 THR MG 1 40 TYR QB 4.000 . 5.000 4.250 4.155 4.332 . 0 0 "[ . 1]" 1
227 1 39 THR MG 1 40 TYR QD 4.000 . 5.000 4.605 4.409 4.813 . 0 0 "[ . 1]" 1
228 1 39 THR MG 1 41 THR HA 4.000 . 5.000 4.349 4.214 4.466 . 0 0 "[ . 1]" 1
229 1 39 THR MG 1 55 LYS HA 4.000 . 5.000 4.583 4.264 4.817 . 0 0 "[ . 1]" 1
230 1 39 THR MG 1 55 LYS QB 3.000 . 3.300 3.245 2.910 3.423 0.123 4 0 "[ . 1]" 1
231 1 39 THR MG 1 55 LYS QD 3.000 . 3.300 2.806 2.308 3.551 0.251 6 0 "[ . 1]" 1
232 1 39 THR MG 1 55 LYS QG 4.000 . 5.000 3.522 3.109 4.023 . 0 0 "[ . 1]" 1
233 1 40 TYR H 1 56 GLY H 4.000 . 5.000 4.183 3.814 4.476 . 0 0 "[ . 1]" 1
234 1 40 TYR QB 1 42 VAL MG2 4.000 . 5.000 3.699 3.572 3.804 . 0 0 "[ . 1]" 1
235 1 40 TYR QB 1 59 ILE HA 4.000 . 5.000 3.478 3.044 3.710 . 0 0 "[ . 1]" 1
236 1 40 TYR QB 1 59 ILE MD 4.000 . 5.000 2.519 2.315 3.788 . 0 0 "[ . 1]" 1
237 1 40 TYR QB 1 59 ILE MG 4.000 . 5.000 4.349 3.685 4.574 . 0 0 "[ . 1]" 1
238 1 40 TYR QB 1 62 ALA MB 4.000 . 5.000 3.342 3.205 3.591 . 0 0 "[ . 1]" 1
239 1 40 TYR QD 1 59 ILE HA 4.000 . 5.000 4.625 4.448 4.849 . 0 0 "[ . 1]" 1
240 1 40 TYR QD 1 59 ILE MD 4.000 . 5.000 2.205 2.079 2.737 . 0 0 "[ . 1]" 1
241 1 40 TYR QD 1 59 ILE QG 4.000 . 5.000 3.768 2.401 3.991 . 0 0 "[ . 1]" 1
242 1 40 TYR QD 1 59 ILE MG 4.000 . 5.000 4.694 4.149 4.933 . 0 0 "[ . 1]" 1
243 1 40 TYR QE 1 58 SER HA 4.000 . 5.000 4.841 4.630 4.932 . 0 0 "[ . 1]" 1
244 1 40 TYR QE 1 58 SER QB 4.000 . 6.000 5.961 5.752 6.051 0.051 8 0 "[ . 1]" 1
245 1 40 TYR QE 1 59 ILE MD 3.000 . 3.300 3.184 3.047 3.304 0.004 6 0 "[ . 1]" 1
246 1 40 TYR QE 1 59 ILE HG12 4.000 . 5.000 4.589 4.226 4.735 . 0 0 "[ . 1]" 1
247 1 40 TYR QE 1 59 ILE HG13 4.000 . 5.000 4.913 4.114 5.067 0.067 7 0 "[ . 1]" 1
248 1 40 TYR QE 1 59 ILE MG 4.000 . 6.000 5.845 5.547 5.967 . 0 0 "[ . 1]" 1
249 1 41 THR H 1 42 VAL H 4.000 . 5.000 4.338 4.304 4.362 . 0 0 "[ . 1]" 1
250 1 41 THR HA 1 41 THR MG 3.000 . 3.300 2.308 2.273 2.361 . 0 0 "[ . 1]" 1
251 1 41 THR HA 1 42 VAL MG1 4.000 . 6.000 5.445 5.429 5.458 . 0 0 "[ . 1]" 1
252 1 41 THR HA 1 42 VAL MG2 4.000 . 5.000 3.704 3.427 3.778 . 0 0 "[ . 1]" 1
253 1 41 THR HA 1 55 LYS HA 4.000 . 5.000 2.953 2.814 3.137 . 0 0 "[ . 1]" 1
254 1 41 THR HA 1 55 LYS QD 4.000 . 5.000 4.775 3.885 5.023 0.023 6 0 "[ . 1]" 1
255 1 41 THR HA 1 62 ALA MB 4.000 . 5.000 3.498 3.313 3.703 . 0 0 "[ . 1]" 1
256 1 41 THR MG 1 42 VAL HA 4.000 . 5.000 3.746 3.691 3.789 . 0 0 "[ . 1]" 1
257 1 41 THR MG 1 43 ALA MB 4.000 . 5.000 3.262 3.139 3.332 . 0 0 "[ . 1]" 1
258 1 41 THR MG 1 55 LYS HA 4.000 . 5.000 3.810 3.544 4.169 . 0 0 "[ . 1]" 1
259 1 41 THR MG 1 55 LYS QB 4.000 . 5.000 4.373 4.126 4.771 . 0 0 "[ . 1]" 1
260 1 41 THR MG 1 55 LYS QD 4.000 . 5.000 3.888 2.761 4.424 . 0 0 "[ . 1]" 1
261 1 41 THR MG 1 62 ALA MB 4.000 . 5.000 4.500 4.246 4.707 . 0 0 "[ . 1]" 1
262 1 42 VAL HA 1 42 VAL MG1 3.000 . 3.300 2.390 2.307 2.418 . 0 0 "[ . 1]" 1
263 1 42 VAL HA 1 42 VAL MG2 3.000 . 3.300 2.327 2.250 2.449 . 0 0 "[ . 1]" 1
264 1 42 VAL HA 1 43 ALA MB 4.000 . 5.000 3.957 3.919 3.999 . 0 0 "[ . 1]" 1
265 1 42 VAL HA 1 62 ALA MB 4.000 . 5.000 4.349 4.221 4.553 . 0 0 "[ . 1]" 1
266 1 42 VAL HB 1 62 ALA MB 3.000 . 3.300 2.425 2.274 2.595 . 0 0 "[ . 1]" 1
267 1 42 VAL HB 1 63 GLU HA 4.000 . 5.000 3.669 3.549 3.877 . 0 0 "[ . 1]" 1
268 1 42 VAL MG1 1 43 ALA HA 4.000 . 5.000 3.573 3.527 3.706 . 0 0 "[ . 1]" 1
269 1 42 VAL MG1 1 44 VAL MG2 4.000 . 5.000 3.127 3.002 3.470 . 0 0 "[ . 1]" 1
270 1 42 VAL MG1 1 59 ILE MD 4.000 . 5.000 4.953 4.795 5.146 0.146 2 0 "[ . 1]" 1
271 1 42 VAL MG1 1 59 ILE MG 4.000 . 5.000 3.831 3.441 3.972 . 0 0 "[ . 1]" 1
272 1 42 VAL MG1 1 62 ALA HA 4.000 . 6.000 5.452 5.332 5.636 . 0 0 "[ . 1]" 1
273 1 42 VAL MG1 1 63 GLU HA 3.000 . 3.300 2.912 2.740 3.077 . 0 0 "[ . 1]" 1
274 1 42 VAL MG1 1 63 GLU QB 4.000 . 5.000 4.030 3.894 4.261 . 0 0 "[ . 1]" 1
275 1 42 VAL MG1 1 63 GLU QG 4.000 . 5.000 2.520 2.254 3.339 . 0 0 "[ . 1]" 1
276 1 42 VAL MG1 1 66 ALA HA 4.000 . 6.000 5.532 5.152 6.039 0.039 2 0 "[ . 1]" 1
277 1 42 VAL MG1 1 66 ALA MB 3.000 . 3.300 2.928 2.626 3.345 0.045 2 0 "[ . 1]" 1
278 1 42 VAL MG2 1 55 LYS HA 4.000 . 6.000 5.094 4.616 5.494 . 0 0 "[ . 1]" 1
279 1 42 VAL MG2 1 59 ILE HA 4.000 . 5.000 3.259 3.104 3.309 . 0 0 "[ . 1]" 1
280 1 42 VAL MG2 1 59 ILE HB 4.000 . 5.000 4.889 4.484 5.013 0.013 4 0 "[ . 1]" 1
281 1 42 VAL MG2 1 59 ILE MD 4.000 . 5.000 3.034 2.800 3.780 . 0 0 "[ . 1]" 1
282 1 42 VAL MG2 1 59 ILE QG 4.000 . 5.000 4.463 3.585 4.700 . 0 0 "[ . 1]" 1
283 1 42 VAL MG2 1 59 ILE MG 3.000 . 3.300 2.437 2.038 2.609 . 0 0 "[ . 1]" 1
284 1 42 VAL MG2 1 62 ALA HA 4.000 . 5.000 4.403 4.202 4.614 . 0 0 "[ . 1]" 1
285 1 42 VAL MG2 1 62 ALA MB 3.000 . 3.300 2.037 1.906 2.229 . 0 0 "[ . 1]" 1
286 1 42 VAL MG2 1 63 GLU HA 4.000 . 5.000 3.703 3.551 3.797 . 0 0 "[ . 1]" 1
287 1 42 VAL MG2 1 63 GLU HB2 4.000 . 5.000 4.784 4.643 4.901 . 0 0 "[ . 1]" 1
288 1 42 VAL MG2 1 63 GLU QB 4.000 . 5.000 4.348 4.230 4.442 . 0 0 "[ . 1]" 1
289 1 42 VAL MG2 1 63 GLU HB3 4.000 . 5.000 4.994 4.872 5.083 0.083 2 0 "[ . 1]" 1
290 1 42 VAL MG2 1 63 GLU QG 4.000 . 5.000 2.561 2.432 2.804 . 0 0 "[ . 1]" 1
291 1 43 ALA HA 1 44 VAL MG2 4.000 . 5.000 3.333 3.175 3.453 . 0 0 "[ . 1]" 1
292 1 43 ALA MB 1 44 VAL MG1 4.000 . 6.000 5.209 5.188 5.222 . 0 0 "[ . 1]" 1
293 1 43 ALA MB 1 44 VAL MG2 4.000 . 5.000 4.213 4.105 4.293 . 0 0 "[ . 1]" 1
294 1 43 ALA MB 1 45 TYR QD 4.000 . 5.000 3.900 3.691 4.034 . 0 0 "[ . 1]" 1
295 1 43 ALA MB 1 45 TYR QE 4.000 . 5.000 2.682 2.286 3.016 . 0 0 "[ . 1]" 1
296 1 43 ALA MB 1 50 ARG HA 4.000 . 6.000 4.843 4.247 5.179 . 0 0 "[ . 1]" 1
297 1 43 ALA MB 1 50 ARG QD 4.000 . 5.000 3.448 2.618 4.362 . 0 0 "[ . 1]" 1
298 1 44 VAL H 1 51 ILE H 4.000 . 5.000 3.990 3.792 4.531 . 0 0 "[ . 1]" 1
299 1 44 VAL H 1 52 GLY H 4.000 . 5.000 3.467 2.984 4.069 . 0 0 "[ . 1]" 1
300 1 44 VAL HA 1 44 VAL MG1 3.000 . 3.300 2.281 2.254 2.343 . 0 0 "[ . 1]" 1
301 1 44 VAL HB 1 66 ALA MB 4.000 . 5.000 4.482 4.242 4.719 . 0 0 "[ . 1]" 1
302 1 44 VAL MG1 1 45 TYR HA 4.000 . 5.000 3.994 3.883 4.174 . 0 0 "[ . 1]" 1
303 1 44 VAL MG1 1 45 TYR QB 4.000 . 5.000 4.377 4.254 4.562 . 0 0 "[ . 1]" 1
304 1 44 VAL MG1 1 51 ILE MD 4.000 . 5.000 2.264 2.061 2.618 . 0 0 "[ . 1]" 1
305 1 44 VAL MG1 1 51 ILE MG 4.000 . 5.000 4.235 3.846 4.631 . 0 0 "[ . 1]" 1
306 1 44 VAL MG1 1 66 ALA MB 4.000 . 5.000 4.819 4.688 5.010 0.010 6 0 "[ . 1]" 1
307 1 44 VAL MG1 1 67 ALA HA 4.000 . 6.000 5.591 5.386 5.777 . 0 0 "[ . 1]" 1
308 1 44 VAL MG1 1 70 ALA MB 4.000 . 5.000 3.810 3.596 4.103 . 0 0 "[ . 1]" 1
309 1 44 VAL MG2 1 50 ARG HA 4.000 . 6.000 5.856 5.493 6.140 0.140 7 0 "[ . 1]" 1
310 1 44 VAL MG2 1 51 ILE HA 4.000 . 6.000 6.038 5.889 6.138 0.138 7 0 "[ . 1]" 1
311 1 44 VAL MG2 1 51 ILE HB 4.000 . 6.000 5.421 5.304 5.527 . 0 0 "[ . 1]" 1
312 1 44 VAL MG2 1 52 GLY QA 4.000 . 5.000 2.683 2.364 3.202 . 0 0 "[ . 1]" 1
313 1 44 VAL MG2 1 66 ALA HA 4.000 . 5.000 4.739 4.489 5.030 0.030 6 0 "[ . 1]" 1
314 1 44 VAL MG2 1 66 ALA MB 3.000 . 3.300 2.634 2.388 2.848 . 0 0 "[ . 1]" 1
315 1 44 VAL MG2 1 67 ALA HA 4.000 . 5.000 4.243 3.938 4.604 . 0 0 "[ . 1]" 1
316 1 44 VAL MG2 1 67 ALA MB 4.000 . 5.000 4.758 4.413 5.025 0.025 3 0 "[ . 1]" 1
317 1 44 VAL MG2 1 70 ALA MB 4.000 . 5.000 3.470 3.104 3.844 . 0 0 "[ . 1]" 1
318 1 45 TYR H 1 46 PHE H 4.000 . 5.000 4.483 4.430 4.507 . 0 0 "[ . 1]" 1
319 1 45 TYR HA 1 51 ILE MD 4.000 . 5.000 4.905 4.042 5.063 0.063 2 0 "[ . 1]" 1
320 1 45 TYR HA 1 51 ILE MG 4.000 . 6.000 4.661 4.479 5.035 . 0 0 "[ . 1]" 1
321 1 45 TYR QD 1 50 ARG HA 4.000 . 5.000 4.002 3.082 4.599 . 0 0 "[ . 1]" 1
322 1 45 TYR QE 1 50 ARG HA 4.000 . 6.000 4.898 4.167 5.420 . 0 0 "[ . 1]" 1
323 1 45 TYR QE 1 50 ARG QD 4.000 . 5.000 4.665 3.375 5.030 0.030 6 0 "[ . 1]" 1
324 1 46 PHE H 1 47 LYS H 4.000 . 5.000 3.979 3.842 4.129 . 0 0 "[ . 1]" 1
325 1 46 PHE H 1 48 GLY H 4.000 . 5.000 3.305 3.122 3.535 . 0 0 "[ . 1]" 1
326 1 46 PHE H 1 49 GLU H 4.000 . 5.000 2.523 2.202 2.835 . 0 0 "[ . 1]" 1
327 1 46 PHE HA 1 46 PHE QD 4.000 . 5.000 2.493 2.339 2.690 . 0 0 "[ . 1]" 1
328 1 46 PHE HA 1 47 LYS HA 4.000 . 5.000 4.415 4.381 4.445 . 0 0 "[ . 1]" 1
329 1 46 PHE HA 1 51 ILE MD 4.000 . 5.000 4.456 3.519 4.758 . 0 0 "[ . 1]" 1
330 1 46 PHE QB 1 51 ILE MD 3.000 . 3.300 2.343 2.064 2.564 . 0 0 "[ . 1]" 1
331 1 46 PHE QB 1 51 ILE MG 4.000 . 5.000 2.532 2.349 2.714 . 0 0 "[ . 1]" 1
332 1 46 PHE HB2 1 51 ILE MD 4.000 . 5.000 2.451 2.083 2.635 . 0 0 "[ . 1]" 1
333 1 46 PHE HB2 1 51 ILE MG 4.000 . 5.000 3.293 2.712 3.719 . 0 0 "[ . 1]" 1
334 1 46 PHE HB3 1 51 ILE MD 4.000 . 5.000 3.077 2.650 3.514 . 0 0 "[ . 1]" 1
335 1 46 PHE HB3 1 51 ILE MG 4.000 . 5.000 2.652 2.478 2.848 . 0 0 "[ . 1]" 1
336 1 46 PHE QD 1 51 ILE MD 4.000 . 5.000 3.673 3.237 4.008 . 0 0 "[ . 1]" 1
337 1 46 PHE QD 1 51 ILE MG 4.000 . 5.000 3.442 3.042 3.794 . 0 0 "[ . 1]" 1
338 1 46 PHE QE 1 47 LYS QD 4.000 . 5.000 3.316 2.600 4.597 . 0 0 "[ . 1]" 1
339 1 46 PHE QE 1 47 LYS QE 4.000 . 5.000 3.630 2.683 4.959 . 0 0 "[ . 1]" 1
340 1 46 PHE QE 1 74 TYR QE 4.000 . 6.000 5.858 5.395 6.107 0.107 8 0 "[ . 1]" 1
341 1 46 PHE HZ 1 47 LYS QD 4.000 . 6.000 3.435 2.527 4.963 . 0 0 "[ . 1]" 1
342 1 46 PHE HZ 1 47 LYS QE 4.000 . 6.000 3.664 2.462 5.405 . 0 0 "[ . 1]" 1
343 1 47 LYS HA 1 47 LYS QD 4.000 . 5.000 3.541 2.187 4.128 . 0 0 "[ . 1]" 1
344 1 47 LYS HA 1 47 LYS QE 4.000 . 5.000 4.142 2.276 4.811 . 0 0 "[ . 1]" 1
345 1 47 LYS HA 1 47 LYS HG2 4.000 . 5.000 2.622 2.322 3.582 . 0 0 "[ . 1]" 1
346 1 47 LYS HA 1 47 LYS QG 3.000 . 3.300 2.401 2.258 2.912 . 0 0 "[ . 1]" 1
347 1 47 LYS HA 1 47 LYS HG3 4.000 . 5.000 3.039 2.316 3.822 . 0 0 "[ . 1]" 1
348 1 48 GLY H 1 49 GLU H 4.000 . 5.000 2.449 2.349 2.517 . 0 0 "[ . 1]" 1
349 1 49 GLU H 1 50 ARG H 4.000 . 5.000 4.373 4.293 4.459 . 0 0 "[ . 1]" 1
350 1 49 GLU QB 1 51 ILE MD 4.000 . 5.000 4.836 4.638 5.018 0.018 3 0 "[ . 1]" 1
351 1 49 GLU QB 1 51 ILE MG 4.000 . 5.000 3.059 2.680 3.176 . 0 0 "[ . 1]" 1
352 1 49 GLU HB2 1 51 ILE MG 4.000 . 5.000 3.463 2.965 3.631 . 0 0 "[ . 1]" 1
353 1 49 GLU HB3 1 51 ILE MG 4.000 . 5.000 3.408 3.057 3.527 . 0 0 "[ . 1]" 1
354 1 50 ARG HA 1 50 ARG QD 4.000 . 5.000 4.034 3.928 4.173 . 0 0 "[ . 1]" 1
355 1 50 ARG HA 1 51 ILE MG 4.000 . 5.000 3.695 3.529 4.015 . 0 0 "[ . 1]" 1
356 1 51 ILE H 1 52 GLY H 3.000 . 3.300 2.233 1.969 2.526 . 0 0 "[ . 1]" 1
357 1 51 ILE HA 1 51 ILE MD 4.000 . 5.000 4.130 4.121 4.156 . 0 0 "[ . 1]" 1
358 1 51 ILE HA 1 51 ILE MG 3.000 . 3.300 2.289 2.225 2.333 . 0 0 "[ . 1]" 1
359 1 51 ILE HA 1 70 ALA MB 4.000 . 5.000 4.960 4.732 5.108 0.108 6 0 "[ . 1]" 1
360 1 51 ILE HB 1 51 ILE MD 3.000 . 3.300 2.312 2.263 2.409 . 0 0 "[ . 1]" 1
361 1 51 ILE HB 1 70 ALA MB 4.000 . 5.000 3.416 3.142 3.691 . 0 0 "[ . 1]" 1
362 1 51 ILE HB 1 74 TYR QD 4.000 . 5.000 4.431 3.362 5.058 0.058 3 0 "[ . 1]" 1
363 1 51 ILE MD 1 51 ILE MG 3.000 . 3.300 1.994 1.939 2.134 . 0 0 "[ . 1]" 1
364 1 51 ILE MD 1 70 ALA MB 3.000 . 3.300 2.921 2.446 3.454 0.154 7 0 "[ . 1]" 1
365 1 51 ILE MD 1 74 TYR QD 4.000 . 5.000 3.662 3.264 4.102 . 0 0 "[ . 1]" 1
366 1 51 ILE MD 1 74 TYR QE 4.000 . 5.000 2.708 2.078 3.398 . 0 0 "[ . 1]" 1
367 1 51 ILE MG 1 70 ALA MB 4.000 . 5.000 4.497 4.209 4.888 . 0 0 "[ . 1]" 1
368 1 51 ILE MG 1 73 LYS QD 4.000 . 5.000 3.985 3.453 4.326 . 0 0 "[ . 1]" 1
369 1 51 ILE MG 1 74 TYR HB2 4.000 . 6.000 5.894 5.433 6.049 0.049 2 0 "[ . 1]" 1
370 1 51 ILE MG 1 74 TYR HB3 4.000 . 6.000 5.847 5.241 6.043 0.043 8 0 "[ . 1]" 1
371 1 51 ILE MG 1 74 TYR QD 4.000 . 5.000 4.108 3.457 4.790 . 0 0 "[ . 1]" 1
372 1 51 ILE MG 1 74 TYR QE 4.000 . 5.000 4.326 3.624 4.934 . 0 0 "[ . 1]" 1
373 1 52 GLY QA 1 69 ASP QB 4.000 . 5.000 2.978 2.656 3.372 . 0 0 "[ . 1]" 1
374 1 52 GLY QA 1 70 ALA HA 4.000 . 6.000 3.814 3.099 4.206 . 0 0 "[ . 1]" 1
375 1 52 GLY QA 1 70 ALA MB 4.000 . 5.000 3.388 2.793 3.842 . 0 0 "[ . 1]" 1
376 1 55 LYS HA 1 55 LYS QD 4.000 . 5.000 3.977 3.953 4.136 . 0 0 "[ . 1]" 1
377 1 55 LYS HA 1 62 ALA HA 4.000 . 5.000 4.154 3.483 4.581 . 0 0 "[ . 1]" 1
378 1 55 LYS HA 1 62 ALA MB 4.000 . 5.000 3.309 2.660 3.707 . 0 0 "[ . 1]" 1
379 1 55 LYS QB 1 55 LYS QD 3.000 . 3.300 2.154 2.130 2.267 . 0 0 "[ . 1]" 1
380 1 56 GLY QA 1 57 PRO QD 3.000 . 3.300 2.057 2.037 2.077 . 0 0 "[ . 1]" 1
381 1 58 SER HA 1 59 ILE HB 4.000 . 6.000 4.959 4.885 5.055 . 0 0 "[ . 1]" 1
382 1 58 SER HA 1 59 ILE MD 4.000 . 5.000 3.947 3.711 5.100 0.100 2 0 "[ . 1]" 1
383 1 59 ILE H 1 60 GLN H 4.000 . 5.000 2.658 2.579 2.716 . 0 0 "[ . 1]" 1
384 1 59 ILE H 1 61 GLN H 4.000 . 6.000 4.291 4.207 4.412 . 0 0 "[ . 1]" 1
385 1 59 ILE HA 1 59 ILE MD 3.000 . 3.300 2.267 2.095 3.722 0.422 2 0 "[ . 1]" 1
386 1 59 ILE HA 1 59 ILE MG 3.000 . 3.300 2.312 2.294 2.337 . 0 0 "[ . 1]" 1
387 1 59 ILE HA 1 62 ALA MB 3.000 . 3.300 2.672 2.429 2.932 . 0 0 "[ . 1]" 1
388 1 59 ILE HB 1 59 ILE MD 3.000 . 3.300 3.133 2.328 3.230 . 0 0 "[ . 1]" 1
389 1 59 ILE HB 1 60 GLN HA 4.000 . 5.000 4.111 4.057 4.178 . 0 0 "[ . 1]" 1
390 1 59 ILE HB 1 60 GLN HB2 4.000 . 5.000 4.897 4.765 5.024 0.024 2 0 "[ . 1]" 1
391 1 59 ILE MD 1 62 ALA MB 4.000 . 5.000 3.656 3.299 4.954 . 0 0 "[ . 1]" 1
392 1 59 ILE MD 1 63 GLU QG 4.000 . 5.000 4.556 4.385 4.844 . 0 0 "[ . 1]" 1
393 1 59 ILE QG 1 59 ILE MG 3.000 . 3.300 2.271 2.250 2.322 . 0 0 "[ . 1]" 1
394 1 59 ILE MG 1 60 GLN HA 4.000 . 5.000 3.591 3.527 3.637 . 0 0 "[ . 1]" 1
395 1 59 ILE MG 1 60 GLN HB2 4.000 . 6.000 5.359 5.263 5.439 . 0 0 "[ . 1]" 1
396 1 59 ILE MG 1 60 GLN HB3 4.000 . 6.000 5.620 5.541 5.688 . 0 0 "[ . 1]" 1
397 1 59 ILE MG 1 62 ALA MB 4.000 . 5.000 3.282 3.011 3.483 . 0 0 "[ . 1]" 1
398 1 59 ILE MG 1 63 GLU HB2 4.000 . 5.000 4.183 4.064 4.382 . 0 0 "[ . 1]" 1
399 1 59 ILE MG 1 63 GLU QB 4.000 . 5.000 3.949 3.844 4.090 . 0 0 "[ . 1]" 1
400 1 59 ILE MG 1 63 GLU HB3 4.000 . 5.000 4.853 4.739 4.950 . 0 0 "[ . 1]" 1
401 1 59 ILE MG 1 63 GLU HG2 4.000 . 5.000 3.307 2.296 3.616 . 0 0 "[ . 1]" 1
402 1 59 ILE MG 1 63 GLU QG 3.000 . 3.300 2.411 2.232 2.564 . 0 0 "[ . 1]" 1
403 1 59 ILE MG 1 63 GLU HG3 4.000 . 5.000 2.574 2.331 3.044 . 0 0 "[ . 1]" 1
404 1 60 GLN H 1 61 GLN H 4.000 . 5.000 2.844 2.772 2.901 . 0 0 "[ . 1]" 1
405 1 60 GLN HA 1 63 GLU HB2 4.000 . 5.000 2.841 2.543 3.195 . 0 0 "[ . 1]" 1
406 1 60 GLN HA 1 63 GLU QB 4.000 . 5.000 2.809 2.520 3.151 . 0 0 "[ . 1]" 1
407 1 60 GLN HA 1 63 GLU HB3 4.000 . 5.000 4.433 4.113 4.789 . 0 0 "[ . 1]" 1
408 1 60 GLN HA 1 63 GLU QG 4.000 . 5.000 3.457 2.779 3.741 . 0 0 "[ . 1]" 1
409 1 61 GLN H 1 62 ALA H 4.000 . 5.000 2.647 2.592 2.727 . 0 0 "[ . 1]" 1
410 1 62 ALA H 1 63 GLU H 4.000 . 5.000 2.642 2.585 2.681 . 0 0 "[ . 1]" 1
411 1 62 ALA MB 1 63 GLU QG 4.000 . 5.000 3.140 3.041 3.317 . 0 0 "[ . 1]" 1
412 1 63 GLU H 1 65 GLY H 4.000 . 5.000 4.255 4.083 4.367 . 0 0 "[ . 1]" 1
413 1 63 GLU HA 1 63 GLU HG2 4.000 . 5.000 2.524 2.425 2.914 . 0 0 "[ . 1]" 1
414 1 63 GLU HA 1 63 GLU HG3 4.000 . 5.000 3.035 2.857 3.702 . 0 0 "[ . 1]" 1
415 1 63 GLU HA 1 66 ALA MB 4.000 . 5.000 2.883 2.706 3.067 . 0 0 "[ . 1]" 1
416 1 63 GLU QB 1 66 ALA MB 4.000 . 5.000 4.417 4.166 4.634 . 0 0 "[ . 1]" 1
417 1 64 MET H 1 65 GLY H 4.000 . 5.000 2.702 2.658 2.747 . 0 0 "[ . 1]" 1
418 1 64 MET HA 1 64 MET HG2 4.000 . 5.000 2.607 2.336 3.625 . 0 0 "[ . 1]" 1
419 1 64 MET HA 1 64 MET HG3 4.000 . 5.000 3.018 2.505 3.678 . 0 0 "[ . 1]" 1
420 1 64 MET ME 1 64 MET QG 3.000 . 3.300 2.188 2.122 2.243 . 0 0 "[ . 1]" 1
421 1 65 GLY H 1 66 ALA H 4.000 . 5.000 2.701 2.632 2.741 . 0 0 "[ . 1]" 1
422 1 66 ALA H 1 67 ALA H 4.000 . 5.000 2.617 2.552 2.672 . 0 0 "[ . 1]" 1
423 1 67 ALA HA 1 70 ALA MB 4.000 . 5.000 2.688 2.458 3.039 . 0 0 "[ . 1]" 1
424 1 67 ALA MB 1 70 ALA MB 4.000 . 5.000 3.838 3.627 4.158 . 0 0 "[ . 1]" 1
425 1 69 ASP QB 1 70 ALA MB 4.000 . 5.000 3.998 3.948 4.075 . 0 0 "[ . 1]" 1
426 1 70 ALA MB 1 71 LEU HA 4.000 . 5.000 3.834 3.775 3.877 . 0 0 "[ . 1]" 1
427 1 70 ALA MB 1 74 TYR QB 4.000 . 6.000 5.454 5.052 5.854 . 0 0 "[ . 1]" 1
428 1 70 ALA MB 1 74 TYR QD 4.000 . 5.000 3.898 3.542 4.206 . 0 0 "[ . 1]" 1
429 1 70 ALA MB 1 74 TYR QE 4.000 . 5.000 2.535 2.288 2.842 . 0 0 "[ . 1]" 1
430 1 71 LEU H 1 72 GLU H 4.000 . 5.000 2.726 2.660 2.774 . 0 0 "[ . 1]" 1
431 1 71 LEU HA 1 71 LEU MD1 4.000 . 5.000 3.006 2.175 3.826 . 0 0 "[ . 1]" 1
432 1 71 LEU HA 1 71 LEU QD 4.000 . 5.000 2.062 1.971 2.169 . 0 0 "[ . 1]" 1
433 1 71 LEU HA 1 71 LEU MD2 4.000 . 5.000 2.202 2.125 2.296 . 0 0 "[ . 1]" 1
434 1 72 GLU HA 1 72 GLU HG2 4.000 . 5.000 2.953 2.433 3.600 . 0 0 "[ . 1]" 1
435 1 72 GLU HA 1 72 GLU QG 3.000 . 3.300 2.496 2.310 2.877 . 0 0 "[ . 1]" 1
436 1 72 GLU HA 1 72 GLU HG3 4.000 . 5.000 3.018 2.338 3.718 . 0 0 "[ . 1]" 1
437 1 72 GLU QB 1 73 LYS QD 4.000 . 5.000 4.384 3.637 4.708 . 0 0 "[ . 1]" 1
438 1 72 GLU QB 1 73 LYS QG 4.000 . 5.000 2.862 2.676 3.140 . 0 0 "[ . 1]" 1
439 1 72 GLU QG 1 73 LYS QE 4.000 . 5.000 5.141 5.079 5.192 0.192 7 0 "[ . 1]" 1
440 1 72 GLU QG 1 73 LYS QG 4.000 . 5.000 4.633 4.517 5.000 . 0 0 "[ . 1]" 1
441 1 72 GLU HG2 1 73 LYS QG 4.000 . 6.000 5.275 4.987 5.666 . 0 0 "[ . 1]" 1
442 1 72 GLU HG3 1 73 LYS QG 4.000 . 6.000 5.169 4.864 5.573 . 0 0 "[ . 1]" 1
443 1 73 LYS H 1 74 TYR H 4.000 . 5.000 2.565 2.116 2.740 . 0 0 "[ . 1]" 1
444 1 73 LYS HA 1 73 LYS QD 4.000 . 5.000 3.598 2.163 3.976 . 0 0 "[ . 1]" 1
445 1 73 LYS HA 1 73 LYS QE 4.000 . 5.000 4.530 4.055 4.921 . 0 0 "[ . 1]" 1
446 1 73 LYS QB 1 73 LYS QD 3.000 . 3.300 2.180 2.132 2.322 . 0 0 "[ . 1]" 1
447 1 74 TYR H 1 75 ASN H 4.000 . 5.000 4.503 4.442 4.575 . 0 0 "[ . 1]" 1
448 1 74 TYR HA 1 74 TYR QD 4.000 . 5.000 2.483 2.331 2.999 . 0 0 "[ . 1]" 1
449 1 75 ASN H 1 75 ASN QD 4.000 . 5.000 3.767 2.988 4.325 . 0 0 "[ . 1]" 1
450 1 75 ASN H 1 76 PHE H 4.000 . 5.000 4.414 4.386 4.443 . 0 0 "[ . 1]" 1
451 1 76 PHE QB 1 77 PRO QD 4.000 . 5.000 2.498 1.963 3.605 . 0 0 "[ . 1]" 1
452 1 76 PHE HB2 1 77 PRO QD 4.000 . 5.000 3.712 2.539 4.407 . 0 0 "[ . 1]" 1
453 1 76 PHE HB3 1 77 PRO QD 4.000 . 5.000 2.558 2.043 3.825 . 0 0 "[ . 1]" 1
454 1 76 PHE QD 1 77 PRO QD 4.000 . 6.000 3.064 2.291 4.001 . 0 0 "[ . 1]" 1
455 1 77 PRO HA 1 78 GLN QB 4.000 . 5.000 4.742 4.569 5.024 0.024 10 0 "[ . 1]" 1
456 1 77 PRO HA 1 78 GLN QG 4.000 . 5.000 3.992 3.555 4.517 . 0 0 "[ . 1]" 1
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