NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593930 |
2mt3   |
25147 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mt3
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 527
_Distance_constraint_stats_list.Viol_count 1449
_Distance_constraint_stats_list.Viol_total 2083.583
_Distance_constraint_stats_list.Viol_max 0.658
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0719
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.259 0.015 20 0 "[ . 1 . 2]"
1 3 SER 3.141 0.140 20 0 "[ . 1 . 2]"
1 4 SER 2.774 0.140 20 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.180 0.032 20 0 "[ . 1 . 2]"
1 7 ILE 0.466 0.074 11 0 "[ . 1 . 2]"
1 8 ARG 2.091 0.656 10 2 "[ . + - . 2]"
1 9 ALA 3.460 0.656 10 2 "[ . + - . 2]"
1 10 LEU 5.306 0.277 6 0 "[ . 1 . 2]"
1 11 VAL 1.316 0.061 11 0 "[ . 1 . 2]"
1 12 LYS 3.318 0.158 6 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 7.604 0.445 19 0 "[ . 1 . 2]"
1 15 ILE 1.047 0.159 20 0 "[ . 1 . 2]"
1 16 ALA 0.045 0.023 1 0 "[ . 1 . 2]"
1 17 ALA 0.234 0.051 15 0 "[ . 1 . 2]"
1 18 GLU 1.636 0.454 18 0 "[ . 1 . 2]"
1 19 ASN 1.769 0.454 18 0 "[ . 1 . 2]"
1 20 PRO 6.493 0.618 20 5 "[ -. * ** . +]"
1 21 ALA 2.526 0.272 4 0 "[ . 1 . 2]"
1 22 LYS 0.003 0.003 11 0 "[ . 1 . 2]"
1 23 PRO 5.674 0.618 20 5 "[ -. * ** . +]"
1 24 LEU 1.498 0.223 3 0 "[ . 1 . 2]"
1 25 SER 1.462 0.400 11 0 "[ . 1 . 2]"
1 26 ASP 1.832 0.182 11 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 1.955 0.400 11 0 "[ . 1 . 2]"
1 29 LEU 5.496 0.404 3 0 "[ . 1 . 2]"
1 30 THR 2.545 0.404 3 0 "[ . 1 . 2]"
1 31 SER 0.538 0.199 18 0 "[ . 1 . 2]"
1 32 LEU 3.000 0.100 15 0 "[ . 1 . 2]"
1 33 LEU 5.032 0.363 12 0 "[ . 1 . 2]"
1 34 SER 0.143 0.143 6 0 "[ . 1 . 2]"
1 35 GLU 0.480 0.219 1 0 "[ . 1 . 2]"
1 36 GLN 3.626 0.298 6 0 "[ . 1 . 2]"
1 37 GLY 3.656 0.245 16 0 "[ . 1 . 2]"
1 38 ILE 11.962 0.658 7 2 "[ . + 1 . - 2]"
1 39 MET 3.253 0.658 7 2 "[ . + 1 . - 2]"
1 40 VAL 7.393 0.375 15 0 "[ . 1 . 2]"
1 41 ALA 6.410 0.188 14 0 "[ . 1 . 2]"
1 42 ARG 3.835 0.239 14 0 "[ . 1 . 2]"
1 43 ARG 6.909 0.270 15 0 "[ . 1 . 2]"
1 44 THR 7.317 0.375 15 0 "[ . 1 . 2]"
1 45 VAL 1.273 0.143 15 0 "[ . 1 . 2]"
1 46 ALA 1.081 0.124 18 0 "[ . 1 . 2]"
1 47 LYS 1.156 0.204 14 0 "[ . 1 . 2]"
1 48 TYR 0.623 0.204 14 0 "[ . 1 . 2]"
1 49 ARG 1.770 0.124 18 0 "[ . 1 . 2]"
1 50 GLU 0.108 0.028 19 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 1.065 0.372 20 0 "[ . 1 . 2]"
1 53 SER 1.232 0.206 17 0 "[ . 1 . 2]"
1 54 ILE 12.655 0.534 9 1 "[ . +1 . 2]"
1 55 PRO 5.520 0.534 9 1 "[ . +1 . 2]"
1 56 PRO 3.760 0.129 13 0 "[ . 1 . 2]"
1 57 SER 2.536 0.129 13 0 "[ . 1 . 2]"
1 58 ASN 1.001 0.121 20 0 "[ . 1 . 2]"
1 59 GLN 1.190 0.047 8 0 "[ . 1 . 2]"
1 60 ARG 0.922 0.206 16 0 "[ . 1 . 2]"
1 61 LYS 2.072 0.366 17 0 "[ . 1 . 2]"
1 62 GLN 1.315 0.205 19 0 "[ . 1 . 2]"
1 63 LEU 0.602 0.205 19 0 "[ . 1 . 2]"
1 64 VAL 0.807 0.410 9 0 "[ . 1 . 2]"
1 65 ALA 0.131 0.131 9 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.042 0.025 11 0 "[ . 1 . 2]"
1 70 VAL 0.042 0.025 11 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 11 0 "[ . 1 . 2]"
1 73 LEU 0.030 0.015 11 0 "[ . 1 . 2]"
1 74 ALA 2.765 0.138 18 0 "[ . 1 . 2]"
1 75 ALA 2.735 0.138 18 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU QB 1 2 ALA H . . 5.000 3.122 2.120 4.028 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLU QG 1 2 ALA H . . 5.000 3.639 2.087 4.568 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA H 1 2 ALA MB . . 3.300 2.172 2.067 2.263 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA H 1 3 SER H . . 5.000 2.522 2.506 2.535 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 SER H . . 3.300 3.313 3.310 3.315 0.015 20 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 3 SER H . . 5.000 3.235 3.210 3.263 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 3 SER QB . . 3.190 2.901 2.837 2.962 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER H 1 6 ALA H . . 5.000 4.992 4.869 5.032 0.032 20 0 "[ . 1 . 2]" 1
9 1 3 SER HA 1 3 SER QB . . 2.500 2.178 2.157 2.202 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 4 SER H . . 3.300 3.437 3.436 3.440 0.140 20 0 "[ . 1 . 2]" 1
11 1 3 SER HA 1 6 ALA H . . 5.000 3.063 2.932 3.195 . 0 0 "[ . 1 . 2]" 1
12 1 3 SER QB 1 4 SER H . . 5.000 3.202 3.113 3.397 . 0 0 "[ . 1 . 2]" 1
13 1 3 SER QB 1 5 THR H . . 5.000 4.795 4.581 4.992 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER HB2 1 6 ALA H . . 5.000 4.901 4.551 5.004 0.004 20 0 "[ . 1 . 2]" 1
15 1 3 SER HB3 1 6 ALA H . . 5.000 4.903 4.641 5.004 0.004 20 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 6 ALA H . . 5.000 4.164 4.008 4.471 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 7 ILE H . . 5.000 3.830 3.589 4.136 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER HA 1 7 ILE HB . . 5.000 4.043 3.477 4.556 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER HA 1 7 ILE MD . . 5.000 3.876 2.326 5.002 0.002 8 0 "[ . 1 . 2]" 1
20 1 4 SER HA 1 7 ILE QG . . 4.880 3.139 2.265 4.877 . 0 0 "[ . 1 . 2]" 1
21 1 4 SER HA 1 48 TYR QE . . 5.000 4.849 4.504 5.005 0.005 18 0 "[ . 1 . 2]" 1
22 1 4 SER QB 1 5 THR H . . 5.000 3.093 2.527 3.593 . 0 0 "[ . 1 . 2]" 1
23 1 4 SER QB 1 6 ALA H . . 5.000 4.799 4.498 5.001 0.001 19 0 "[ . 1 . 2]" 1
24 1 4 SER QB 1 48 TYR QE . . 5.000 4.891 4.543 5.008 0.008 20 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 5 THR HB . . 3.300 2.709 2.492 2.906 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 6 ALA H . . 5.000 2.398 2.284 2.545 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR HA 1 5 THR MG . . 2.500 2.235 2.112 2.355 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HB 1 6 ALA H . . 3.300 3.003 2.805 3.122 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HB 1 6 ALA MB . . 5.000 4.181 4.056 4.359 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR MG 1 6 ALA H . . 5.000 3.977 3.733 4.143 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR MG 1 6 ALA HA . . 5.000 4.100 3.628 4.439 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR MG 1 7 ILE H . . 5.000 4.891 4.656 4.999 . 0 0 "[ . 1 . 2]" 1
33 1 6 ALA H 1 6 ALA MB . . 2.900 2.143 2.038 2.242 . 0 0 "[ . 1 . 2]" 1
34 1 6 ALA H 1 7 ILE H . . 3.300 2.598 2.495 2.721 . 0 0 "[ . 1 . 2]" 1
35 1 6 ALA H 1 7 ILE MD . . 5.000 4.267 3.101 4.849 . 0 0 "[ . 1 . 2]" 1
36 1 6 ALA H 1 7 ILE QG . . 5.000 4.004 3.595 5.015 0.015 11 0 "[ . 1 . 2]" 1
37 1 6 ALA HA 1 7 ILE MD . . 5.000 4.838 4.361 5.002 0.002 16 0 "[ . 1 . 2]" 1
38 1 6 ALA HA 1 9 ALA H . . 5.000 4.074 3.901 4.348 . 0 0 "[ . 1 . 2]" 1
39 1 7 ILE H 1 7 ILE HB . . 3.300 2.612 2.502 2.658 . 0 0 "[ . 1 . 2]" 1
40 1 7 ILE H 1 7 ILE MD . . 3.300 2.778 1.888 3.303 0.003 8 0 "[ . 1 . 2]" 1
41 1 7 ILE H 1 7 ILE QG . . 2.900 2.196 1.938 2.947 0.047 20 0 "[ . 1 . 2]" 1
42 1 7 ILE H 1 9 ALA H . . 5.000 4.377 4.225 4.638 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE HA 1 7 ILE MD . . 3.300 2.375 2.026 3.374 0.074 11 0 "[ . 1 . 2]" 1
44 1 7 ILE HA 1 7 ILE QG . . 3.300 2.889 2.300 3.049 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE HA 1 7 ILE MG . . 2.500 2.238 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE HA 1 10 LEU H . . 3.300 2.884 2.791 3.096 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE HB 1 48 TYR QE . . 5.000 3.496 2.774 4.468 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE MD 1 48 TYR QE . . 5.000 4.095 3.179 5.003 0.003 8 0 "[ . 1 . 2]" 1
49 1 7 ILE QG 1 7 ILE MG . . 3.300 2.172 1.954 2.261 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE MG 1 10 LEU H . . 5.000 3.521 3.365 3.905 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE MG 1 11 VAL H . . 5.000 3.375 3.054 3.917 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE MG 1 48 TYR HB2 . . 5.000 4.634 4.355 4.981 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE MG 1 48 TYR HB3 . . 5.000 4.397 3.698 5.023 0.023 11 0 "[ . 1 . 2]" 1
54 1 7 ILE MG 1 48 TYR QD . . 5.000 3.265 2.532 3.770 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE MG 1 48 TYR QE . . 5.000 2.557 2.201 3.416 . 0 0 "[ . 1 . 2]" 1
56 1 8 ARG QD 1 9 ALA H . . 5.000 4.709 3.441 5.656 0.656 10 2 "[ . + - . 2]" 1
57 1 9 ALA H 1 9 ALA HA . . 2.900 2.903 2.878 2.920 0.020 2 0 "[ . 1 . 2]" 1
58 1 9 ALA H 1 9 ALA MB . . 2.900 2.202 2.083 2.328 . 0 0 "[ . 1 . 2]" 1
59 1 9 ALA H 1 10 LEU H . . 5.000 2.289 2.202 2.405 . 0 0 "[ . 1 . 2]" 1
60 1 9 ALA HA 1 12 LYS H . . 3.300 3.362 3.343 3.393 0.093 14 0 "[ . 1 . 2]" 1
61 1 9 ALA HA 1 12 LYS QB . . 2.500 2.383 2.165 2.504 0.004 1 0 "[ . 1 . 2]" 1
62 1 9 ALA MB 1 10 LEU H . . 3.300 2.917 2.832 2.975 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU H 1 10 LEU HB2 . . 3.300 2.113 2.058 2.422 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU H 1 10 LEU QB . . 2.900 2.093 2.040 2.385 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU H 1 10 LEU HB3 . . 3.300 3.396 3.345 3.577 0.277 6 0 "[ . 1 . 2]" 1
66 1 10 LEU H 1 10 LEU MD2 . . 3.300 2.635 2.254 3.317 0.017 14 0 "[ . 1 . 2]" 1
67 1 10 LEU H 1 10 LEU HG . . 5.000 3.834 2.403 4.098 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU H 1 11 VAL H . . 3.300 2.783 2.695 2.920 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU H 1 11 VAL HB . . 5.000 5.031 5.016 5.050 0.050 5 0 "[ . 1 . 2]" 1
70 1 10 LEU HA 1 10 LEU MD2 . . 3.300 2.097 1.924 2.244 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU HA 1 14 LEU H . . 5.000 5.021 4.981 5.065 0.065 18 0 "[ . 1 . 2]" 1
72 1 10 LEU QB 1 11 VAL H . . 3.300 2.520 2.337 2.582 . 0 0 "[ . 1 . 2]" 1
73 1 10 LEU HB2 1 10 LEU MD2 . . 3.300 2.548 2.417 3.191 . 0 0 "[ . 1 . 2]" 1
74 1 10 LEU HB2 1 11 VAL H . . 3.300 2.811 2.388 2.926 . 0 0 "[ . 1 . 2]" 1
75 1 10 LEU HB2 1 11 VAL HA . . 5.000 4.880 4.344 5.000 0.000 12 0 "[ . 1 . 2]" 1
76 1 10 LEU HB3 1 10 LEU MD2 . . 3.300 3.067 2.429 3.190 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU HB3 1 11 VAL H . . 3.300 2.909 2.607 3.338 0.038 5 0 "[ . 1 . 2]" 1
78 1 10 LEU HB3 1 11 VAL HA . . 5.000 3.892 3.763 4.211 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU MD2 1 12 LYS H . . 5.000 5.103 5.077 5.158 0.158 6 0 "[ . 1 . 2]" 1
80 1 10 LEU HG 1 11 VAL H . . 5.000 4.900 4.367 5.022 0.022 20 0 "[ . 1 . 2]" 1
81 1 11 VAL H 1 11 VAL HB . . 2.900 2.591 2.544 2.622 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL H 1 12 LYS H . . 3.300 2.624 2.545 2.698 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL HA 1 11 VAL MG1 . . 2.500 2.269 2.221 2.339 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL HA 1 11 VAL MG2 . . 2.500 2.337 2.263 2.381 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL HA 1 13 LYS H . . 5.000 4.177 3.555 4.654 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL HA 1 14 LEU H . . 5.000 3.590 3.049 3.784 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL HA 1 14 LEU QB . . 5.000 3.485 2.805 4.188 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL HB 1 12 LYS H . . 3.300 3.186 3.057 3.277 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL MG1 1 12 LYS H . . 5.000 3.923 3.766 4.026 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL MG1 1 48 TYR HB2 . . 5.000 3.444 2.615 4.014 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL MG1 1 48 TYR QB . . 3.300 3.152 2.362 3.348 0.048 15 0 "[ . 1 . 2]" 1
92 1 11 VAL MG1 1 48 TYR HB3 . . 5.000 3.737 2.691 4.218 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL MG1 1 49 ARG H . . 5.000 4.575 3.619 5.028 0.028 18 0 "[ . 1 . 2]" 1
94 1 11 VAL MG2 1 12 LYS H . . 5.000 3.986 3.961 4.038 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL MG2 1 48 TYR HB2 . . 5.000 2.500 1.948 3.403 . 0 0 "[ . 1 . 2]" 1
96 1 11 VAL MG2 1 48 TYR HB3 . . 5.000 2.616 2.165 3.293 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL MG2 1 49 ARG H . . 5.000 4.647 4.134 5.005 0.005 19 0 "[ . 1 . 2]" 1
98 1 11 VAL MG2 1 49 ARG HA . . 5.000 5.001 4.749 5.061 0.061 11 0 "[ . 1 . 2]" 1
99 1 12 LYS H 1 12 LYS HB2 . . 3.300 2.213 2.113 2.393 . 0 0 "[ . 1 . 2]" 1
100 1 12 LYS H 1 12 LYS QB . . 3.300 2.153 2.088 2.255 . 0 0 "[ . 1 . 2]" 1
101 1 12 LYS H 1 12 LYS HB3 . . 3.300 3.022 2.758 3.298 . 0 0 "[ . 1 . 2]" 1
102 1 12 LYS H 1 12 LYS QD . . 5.000 3.870 3.128 4.582 . 0 0 "[ . 1 . 2]" 1
103 1 12 LYS HA 1 12 LYS QD . . 3.300 2.762 2.207 3.242 . 0 0 "[ . 1 . 2]" 1
104 1 12 LYS HA 1 12 LYS QG . . 3.300 2.231 2.049 2.413 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS HA 1 14 LEU H . . 5.000 4.195 3.809 4.571 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS H 1 13 LYS QB . . 2.900 2.138 2.039 2.427 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS H 1 13 LYS QG . . 5.000 3.511 2.406 3.960 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS H 1 14 LEU H . . 3.300 2.627 2.233 2.845 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS QB 1 14 LEU H . . 3.300 2.734 2.503 2.875 . 0 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 14 LEU QB . . 3.300 2.437 2.302 2.688 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 14 LEU MD1 . . 3.300 3.384 2.906 3.720 0.420 16 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 14 LEU MD2 . . 3.300 2.081 1.865 3.155 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 15 ILE H . . 2.900 2.641 2.366 2.897 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU HA 1 14 LEU QB . . 2.500 2.354 2.163 2.427 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HA 1 14 LEU MD1 . . 3.300 2.473 1.907 3.745 0.445 19 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 17 ALA H . . 5.000 4.436 3.776 4.845 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 17 ALA MB . . 5.000 4.685 4.087 5.039 0.039 2 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 29 LEU HB2 . . 3.300 3.281 2.533 3.406 0.106 15 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 29 LEU HB3 . . 3.300 3.288 2.621 3.451 0.151 11 0 "[ . 1 . 2]" 1
120 1 14 LEU QB 1 15 ILE H . . 3.300 2.906 2.122 3.459 0.159 20 0 "[ . 1 . 2]" 1
121 1 14 LEU QB 1 29 LEU H . . 5.000 4.736 4.325 5.072 0.072 8 0 "[ . 1 . 2]" 1
122 1 14 LEU HB2 1 14 LEU MD1 . . 3.300 2.953 2.117 3.191 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HB2 1 14 LEU MD2 . . 3.300 2.400 2.057 3.168 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HB3 1 14 LEU MD1 . . 3.300 2.431 2.113 3.136 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HB3 1 14 LEU MD2 . . 3.300 2.937 2.178 3.176 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU MD1 1 29 LEU HB2 . . 3.300 2.283 1.919 3.456 0.156 15 0 "[ . 1 . 2]" 1
127 1 14 LEU MD1 1 29 LEU HB3 . . 3.300 2.947 1.995 3.362 0.062 16 0 "[ . 1 . 2]" 1
128 1 14 LEU MD2 1 29 LEU HB2 . . 5.000 3.863 2.017 4.947 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU MD2 1 29 LEU HB3 . . 5.000 4.528 3.382 4.963 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE H 1 15 ILE HB . . 2.900 2.585 2.198 2.782 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE H 1 15 ILE MD . . 5.000 3.304 2.105 3.992 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE H 1 15 ILE HG12 . . 5.000 3.570 2.022 4.332 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE H 1 15 ILE QG . . 5.000 2.632 1.933 3.336 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE H 1 15 ILE HG13 . . 5.000 3.008 1.947 3.988 . 0 0 "[ . 1 . 2]" 1
135 1 15 ILE H 1 16 ALA H . . 3.300 2.170 1.857 2.709 . 0 0 "[ . 1 . 2]" 1
136 1 15 ILE H 1 18 GLU QB . . 5.000 4.738 4.269 5.034 0.034 6 0 "[ . 1 . 2]" 1
137 1 15 ILE HA 1 15 ILE QG . . 3.300 2.527 2.141 3.070 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE HA 1 17 ALA H . . 5.000 3.938 3.360 4.778 . 0 0 "[ . 1 . 2]" 1
139 1 15 ILE HA 1 18 GLU H . . 5.000 3.790 3.104 4.189 . 0 0 "[ . 1 . 2]" 1
140 1 15 ILE HA 1 18 GLU QB . . 3.300 2.289 2.008 2.564 . 0 0 "[ . 1 . 2]" 1
141 1 15 ILE HB 1 16 ALA H . . 3.300 3.022 2.487 3.323 0.023 1 0 "[ . 1 . 2]" 1
142 1 15 ILE QG 1 16 ALA H . . 5.000 4.161 3.798 4.508 . 0 0 "[ . 1 . 2]" 1
143 1 15 ILE MG 1 16 ALA H . . 5.000 3.743 2.979 4.107 . 0 0 "[ . 1 . 2]" 1
144 1 15 ILE MG 1 16 ALA HA . . 5.000 3.814 2.977 4.230 . 0 0 "[ . 1 . 2]" 1
145 1 15 ILE MG 1 17 ALA H . . 5.000 4.746 4.282 5.015 0.015 1 0 "[ . 1 . 2]" 1
146 1 15 ILE MG 1 18 GLU H . . 5.000 4.005 3.571 4.475 . 0 0 "[ . 1 . 2]" 1
147 1 15 ILE MG 1 18 GLU QB . . 3.300 3.305 2.887 3.385 0.085 5 0 "[ . 1 . 2]" 1
148 1 15 ILE MG 1 18 GLU QG . . 5.000 3.714 1.860 4.836 . 0 0 "[ . 1 . 2]" 1
149 1 15 ILE MG 1 60 ARG HD2 . . 5.000 4.608 3.253 5.003 0.003 1 0 "[ . 1 . 2]" 1
150 1 15 ILE MG 1 60 ARG HD3 . . 5.000 4.725 3.402 5.004 0.004 20 0 "[ . 1 . 2]" 1
151 1 16 ALA H 1 16 ALA MB . . 3.300 2.149 2.028 2.270 . 0 0 "[ . 1 . 2]" 1
152 1 16 ALA H 1 17 ALA H . . 3.300 2.757 2.392 3.058 . 0 0 "[ . 1 . 2]" 1
153 1 16 ALA MB 1 17 ALA H . . 3.300 2.710 2.272 3.078 . 0 0 "[ . 1 . 2]" 1
154 1 17 ALA H 1 17 ALA MB . . 2.900 2.417 2.114 2.666 . 0 0 "[ . 1 . 2]" 1
155 1 17 ALA H 1 18 GLU H . . 3.300 2.959 2.420 3.301 0.001 20 0 "[ . 1 . 2]" 1
156 1 17 ALA H 1 18 GLU QB . . 5.000 4.000 3.442 4.443 . 0 0 "[ . 1 . 2]" 1
157 1 17 ALA H 1 18 GLU QG . . 5.000 3.964 3.224 5.051 0.051 15 0 "[ . 1 . 2]" 1
158 1 17 ALA MB 1 18 GLU H . . 5.000 3.664 2.951 3.721 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLU H 1 18 GLU QB . . 3.300 2.729 2.392 2.884 . 0 0 "[ . 1 . 2]" 1
160 1 18 GLU H 1 18 GLU QG . . 3.300 2.973 2.269 3.396 0.096 11 0 "[ . 1 . 2]" 1
161 1 18 GLU H 1 19 ASN H . . 5.000 4.413 4.338 4.597 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLU HA 1 19 ASN H . . 3.300 2.391 2.178 2.666 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLU HA 1 19 ASN HB2 . . 5.000 4.345 3.917 5.454 0.454 18 0 "[ . 1 . 2]" 1
164 1 18 GLU HA 1 19 ASN QB . . 5.000 4.032 3.777 4.708 . 0 0 "[ . 1 . 2]" 1
165 1 18 GLU HA 1 19 ASN HB3 . . 5.000 4.850 4.519 5.146 0.146 18 0 "[ . 1 . 2]" 1
166 1 18 GLU QB 1 19 ASN H . . 3.300 2.534 1.921 3.080 . 0 0 "[ . 1 . 2]" 1
167 1 18 GLU QG 1 19 ASN H . . 5.000 3.875 2.502 4.400 . 0 0 "[ . 1 . 2]" 1
168 1 19 ASN H 1 19 ASN HB2 . . 3.300 2.985 2.753 3.335 0.035 18 0 "[ . 1 . 2]" 1
169 1 19 ASN H 1 19 ASN HB3 . . 3.300 2.909 2.579 3.552 0.252 18 0 "[ . 1 . 2]" 1
170 1 19 ASN H 1 19 ASN QD . . 4.870 4.500 3.263 4.826 . 0 0 "[ . 1 . 2]" 1
171 1 19 ASN H 1 20 PRO HD2 . . 5.000 3.959 3.286 4.327 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASN H 1 20 PRO HD3 . . 5.000 3.223 2.484 3.731 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASN HA 1 19 ASN QB . . 2.500 2.404 2.156 2.502 0.002 12 0 "[ . 1 . 2]" 1
174 1 19 ASN HA 1 20 PRO HD2 . . 3.300 2.062 1.971 2.199 . 0 0 "[ . 1 . 2]" 1
175 1 19 ASN HA 1 20 PRO HD3 . . 3.300 2.882 2.727 3.073 . 0 0 "[ . 1 . 2]" 1
176 1 19 ASN HA 1 20 PRO QG . . 5.000 3.904 3.834 4.007 . 0 0 "[ . 1 . 2]" 1
177 1 19 ASN HA 1 21 ALA H . . 5.000 3.287 3.018 3.892 . 0 0 "[ . 1 . 2]" 1
178 1 19 ASN QB 1 19 ASN QD . . 2.820 2.261 2.063 2.541 . 0 0 "[ . 1 . 2]" 1
179 1 19 ASN QB 1 20 PRO QD . . 5.000 3.805 3.586 3.837 . 0 0 "[ . 1 . 2]" 1
180 1 19 ASN QB 1 21 ALA H . . 5.000 4.223 3.192 5.179 0.179 20 0 "[ . 1 . 2]" 1
181 1 20 PRO HA 1 21 ALA H . . 3.300 3.384 3.311 3.572 0.272 4 0 "[ . 1 . 2]" 1
182 1 20 PRO HA 1 23 PRO HB2 . . 5.000 4.145 3.834 4.879 . 0 0 "[ . 1 . 2]" 1
183 1 20 PRO HA 1 23 PRO QB . . 5.000 3.988 3.720 4.597 . 0 0 "[ . 1 . 2]" 1
184 1 20 PRO HA 1 23 PRO HB3 . . 5.000 5.241 5.023 5.618 0.618 20 5 "[ -. * ** . +]" 1
185 1 20 PRO HA 1 23 PRO QG . . 3.300 2.435 2.186 2.724 . 0 0 "[ . 1 . 2]" 1
186 1 20 PRO QD 1 21 ALA H . . 3.300 2.853 2.693 2.922 . 0 0 "[ . 1 . 2]" 1
187 1 20 PRO QD 1 21 ALA MB . . 4.880 4.181 3.999 4.537 . 0 0 "[ . 1 . 2]" 1
188 1 20 PRO QG 1 21 ALA H . . 3.300 2.879 1.892 3.235 . 0 0 "[ . 1 . 2]" 1
189 1 21 ALA H 1 21 ALA MB . . 2.900 2.342 2.026 2.946 0.046 20 0 "[ . 1 . 2]" 1
190 1 21 ALA HA 1 23 PRO QD . . 5.000 4.564 4.483 4.675 . 0 0 "[ . 1 . 2]" 1
191 1 21 ALA MB 1 22 LYS H . . 3.300 2.089 1.951 2.290 . 0 0 "[ . 1 . 2]" 1
192 1 21 ALA MB 1 23 PRO HD2 . . 5.000 3.449 3.303 3.581 . 0 0 "[ . 1 . 2]" 1
193 1 21 ALA MB 1 23 PRO HD3 . . 5.000 4.579 4.428 4.716 . 0 0 "[ . 1 . 2]" 1
194 1 22 LYS H 1 22 LYS QE . . 5.000 4.355 3.402 4.962 . 0 0 "[ . 1 . 2]" 1
195 1 22 LYS H 1 22 LYS QG . . 3.300 3.168 1.810 3.303 0.003 11 0 "[ . 1 . 2]" 1
196 1 22 LYS H 1 23 PRO HD2 . . 3.300 1.843 1.724 1.940 . 0 0 "[ . 1 . 2]" 1
197 1 22 LYS H 1 23 PRO QD . . 3.300 1.826 1.713 1.919 . 0 0 "[ . 1 . 2]" 1
198 1 22 LYS H 1 23 PRO HD3 . . 3.300 2.997 2.897 3.057 . 0 0 "[ . 1 . 2]" 1
199 1 22 LYS HA 1 22 LYS QG . . 3.300 2.238 2.040 2.952 . 0 0 "[ . 1 . 2]" 1
200 1 22 LYS HB2 1 22 LYS QE . . 5.000 3.110 1.989 4.191 . 0 0 "[ . 1 . 2]" 1
201 1 22 LYS HB3 1 22 LYS QE . . 5.000 3.522 2.503 4.087 . 0 0 "[ . 1 . 2]" 1
202 1 22 LYS QG 1 23 PRO QD . . 5.000 3.549 1.908 3.685 . 0 0 "[ . 1 . 2]" 1
203 1 23 PRO HA 1 24 LEU H . . 3.300 2.496 2.465 2.519 . 0 0 "[ . 1 . 2]" 1
204 1 23 PRO HA 1 24 LEU QB . . 5.000 4.350 4.018 4.735 . 0 0 "[ . 1 . 2]" 1
205 1 23 PRO QB 1 24 LEU H . . 3.300 2.336 2.290 2.400 . 0 0 "[ . 1 . 2]" 1
206 1 23 PRO HB2 1 24 LEU H . . 3.300 2.384 2.333 2.456 . 0 0 "[ . 1 . 2]" 1
207 1 23 PRO HB3 1 24 LEU H . . 3.300 3.343 3.319 3.376 0.076 7 0 "[ . 1 . 2]" 1
208 1 24 LEU H 1 24 LEU QB . . 3.300 2.936 2.032 3.381 0.081 1 0 "[ . 1 . 2]" 1
209 1 24 LEU H 1 24 LEU MD1 . . 3.300 3.000 2.181 3.452 0.152 11 0 "[ . 1 . 2]" 1
210 1 24 LEU H 1 24 LEU HG . . 5.000 2.964 1.849 4.298 . 0 0 "[ . 1 . 2]" 1
211 1 24 LEU H 1 25 SER H . . 5.000 2.817 1.795 4.641 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU HA 1 25 SER H . . 3.300 2.748 2.139 3.523 0.223 3 0 "[ . 1 . 2]" 1
213 1 24 LEU QB 1 25 SER H . . 5.000 3.591 2.573 4.010 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU HB2 1 25 SER H . . 5.000 4.168 3.539 4.453 . 0 0 "[ . 1 . 2]" 1
215 1 24 LEU HB3 1 25 SER H . . 5.000 4.065 2.643 4.633 . 0 0 "[ . 1 . 2]" 1
216 1 25 SER H 1 25 SER QB . . 3.300 2.750 2.061 3.133 . 0 0 "[ . 1 . 2]" 1
217 1 25 SER HA 1 26 ASP H . . 3.300 2.444 2.364 2.495 . 0 0 "[ . 1 . 2]" 1
218 1 25 SER QB 1 26 ASP H . . 3.300 2.502 2.210 2.886 . 0 0 "[ . 1 . 2]" 1
219 1 25 SER QB 1 28 LYS H . . 5.000 4.873 3.997 5.400 0.400 11 0 "[ . 1 . 2]" 1
220 1 26 ASP HA 1 29 LEU H . . 5.000 3.797 3.203 4.249 . 0 0 "[ . 1 . 2]" 1
221 1 26 ASP HA 1 29 LEU HB2 . . 5.000 4.926 3.448 5.146 0.146 1 0 "[ . 1 . 2]" 1
222 1 26 ASP HA 1 29 LEU HB3 . . 5.000 4.756 3.326 5.182 0.182 11 0 "[ . 1 . 2]" 1
223 1 26 ASP HB2 1 45 VAL MG2 . . 5.000 4.477 2.864 5.058 0.058 11 0 "[ . 1 . 2]" 1
224 1 26 ASP HB3 1 45 VAL MG2 . . 5.000 4.169 3.067 5.061 0.061 11 0 "[ . 1 . 2]" 1
225 1 27 SER QB 1 28 LYS H . . 3.300 2.668 2.038 3.069 . 0 0 "[ . 1 . 2]" 1
226 1 28 LYS H 1 28 LYS HB2 . . 3.300 2.112 2.059 2.230 . 0 0 "[ . 1 . 2]" 1
227 1 28 LYS H 1 28 LYS QB . . 3.300 2.085 2.038 2.192 . 0 0 "[ . 1 . 2]" 1
228 1 28 LYS H 1 28 LYS HB3 . . 3.300 3.238 3.086 3.315 0.015 18 0 "[ . 1 . 2]" 1
229 1 28 LYS H 1 29 LEU H . . 3.300 2.624 2.388 2.983 . 0 0 "[ . 1 . 2]" 1
230 1 28 LYS HA 1 31 SER H . . 3.300 3.286 2.788 3.499 0.199 18 0 "[ . 1 . 2]" 1
231 1 28 LYS QB 1 29 LEU H . . 3.300 2.517 2.215 2.989 . 0 0 "[ . 1 . 2]" 1
232 1 28 LYS QB 1 29 LEU QB . . 5.000 4.090 3.924 4.311 . 0 0 "[ . 1 . 2]" 1
233 1 28 LYS HB2 1 29 LEU H . . 3.300 3.057 2.828 3.357 0.057 3 0 "[ . 1 . 2]" 1
234 1 28 LYS HB3 1 29 LEU H . . 3.300 2.696 2.308 3.352 0.052 3 0 "[ . 1 . 2]" 1
235 1 29 LEU H 1 29 LEU QB . . 2.900 2.617 2.030 2.918 0.018 18 0 "[ . 1 . 2]" 1
236 1 29 LEU H 1 29 LEU QD . . 3.300 2.338 1.600 3.527 0.227 11 0 "[ . 1 . 2]" 1
237 1 29 LEU H 1 29 LEU HG . . 3.300 2.314 1.832 3.521 0.221 6 0 "[ . 1 . 2]" 1
238 1 29 LEU H 1 30 THR H . . 3.300 2.734 2.327 2.864 . 0 0 "[ . 1 . 2]" 1
239 1 29 LEU HA 1 32 LEU H . . 5.000 4.148 3.637 5.016 0.016 7 0 "[ . 1 . 2]" 1
240 1 29 LEU QB 1 30 THR H . . 3.300 3.285 2.697 3.704 0.404 3 0 "[ . 1 . 2]" 1
241 1 29 LEU HG 1 30 THR H . . 5.000 2.637 1.944 5.136 0.136 11 0 "[ . 1 . 2]" 1
242 1 30 THR H 1 30 THR MG . . 3.300 2.500 2.024 3.313 0.013 2 0 "[ . 1 . 2]" 1
243 1 30 THR H 1 31 SER H . . 5.000 2.422 1.969 2.590 . 0 0 "[ . 1 . 2]" 1
244 1 30 THR HA 1 30 THR MG . . 3.300 2.490 1.941 3.202 . 0 0 "[ . 1 . 2]" 1
245 1 30 THR HA 1 33 LEU H . . 5.000 3.439 3.227 4.238 . 0 0 "[ . 1 . 2]" 1
246 1 30 THR HA 1 33 LEU QB . . 5.000 2.717 2.256 3.672 . 0 0 "[ . 1 . 2]" 1
247 1 30 THR HA 1 33 LEU MD1 . . 5.000 3.421 2.436 5.014 0.014 12 0 "[ . 1 . 2]" 1
248 1 30 THR HA 1 34 SER H . . 5.000 4.279 3.840 4.975 . 0 0 "[ . 1 . 2]" 1
249 1 30 THR HA 1 40 VAL H . . 5.000 5.045 4.827 5.240 0.240 6 0 "[ . 1 . 2]" 1
250 1 30 THR MG 1 31 SER H . . 5.000 3.745 2.418 4.378 . 0 0 "[ . 1 . 2]" 1
251 1 30 THR MG 1 40 VAL H . . 5.000 4.365 3.202 5.028 0.028 11 0 "[ . 1 . 2]" 1
252 1 30 THR MG 1 42 ARG H . . 3.300 2.714 2.061 3.351 0.051 3 0 "[ . 1 . 2]" 1
253 1 30 THR MG 1 42 ARG HA . . 3.300 2.560 1.927 3.119 . 0 0 "[ . 1 . 2]" 1
254 1 31 SER H 1 31 SER QB . . 3.300 2.220 2.058 2.595 . 0 0 "[ . 1 . 2]" 1
255 1 31 SER H 1 32 LEU H . . 3.300 2.769 2.558 2.883 . 0 0 "[ . 1 . 2]" 1
256 1 31 SER HA 1 34 SER H . . 5.000 3.332 3.034 3.851 . 0 0 "[ . 1 . 2]" 1
257 1 31 SER QB 1 32 LEU H . . 5.000 2.421 2.254 3.084 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU H 1 32 LEU HB2 . . 3.300 2.083 2.080 2.087 . 0 0 "[ . 1 . 2]" 1
259 1 32 LEU H 1 32 LEU HB3 . . 3.300 3.396 3.392 3.400 0.100 15 0 "[ . 1 . 2]" 1
260 1 32 LEU H 1 32 LEU QD . . 3.300 3.315 3.311 3.322 0.022 1 0 "[ . 1 . 2]" 1
261 1 32 LEU H 1 32 LEU HG . . 3.300 3.331 3.327 3.342 0.042 11 0 "[ . 1 . 2]" 1
262 1 32 LEU H 1 33 LEU H . . 5.000 2.732 2.622 2.947 . 0 0 "[ . 1 . 2]" 1
263 1 32 LEU HB2 1 33 LEU H . . 3.300 3.084 2.718 3.202 . 0 0 "[ . 1 . 2]" 1
264 1 32 LEU HB3 1 33 LEU H . . 3.300 3.197 2.623 3.336 0.036 11 0 "[ . 1 . 2]" 1
265 1 33 LEU H 1 33 LEU HB2 . . 3.300 2.214 2.085 3.323 0.023 6 0 "[ . 1 . 2]" 1
266 1 33 LEU H 1 33 LEU QB . . 2.720 2.127 2.030 2.626 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU H 1 33 LEU HB3 . . 3.300 3.346 2.049 3.576 0.276 13 0 "[ . 1 . 2]" 1
268 1 33 LEU H 1 33 LEU MD1 . . 5.000 3.990 3.549 4.193 . 0 0 "[ . 1 . 2]" 1
269 1 33 LEU H 1 34 SER H . . 3.300 2.438 2.290 2.696 . 0 0 "[ . 1 . 2]" 1
270 1 33 LEU HA 1 33 LEU HG . . 3.300 2.849 2.665 3.663 0.363 12 0 "[ . 1 . 2]" 1
271 1 33 LEU HA 1 36 GLN H . . 5.000 4.208 3.882 4.409 . 0 0 "[ . 1 . 2]" 1
272 1 33 LEU HA 1 36 GLN HG2 . . 5.000 4.085 2.582 4.926 . 0 0 "[ . 1 . 2]" 1
273 1 33 LEU HA 1 36 GLN HG3 . . 5.000 3.615 2.715 4.891 . 0 0 "[ . 1 . 2]" 1
274 1 33 LEU HA 1 38 ILE HB . . 3.300 3.218 3.061 3.362 0.062 13 0 "[ . 1 . 2]" 1
275 1 33 LEU HA 1 38 ILE MD . . 5.000 4.862 3.961 5.158 0.158 19 0 "[ . 1 . 2]" 1
276 1 33 LEU QB 1 34 SER H . . 3.300 2.906 2.679 3.443 0.143 6 0 "[ . 1 . 2]" 1
277 1 33 LEU MD2 1 36 GLN HG2 . . 5.000 4.671 3.553 5.086 0.086 6 0 "[ . 1 . 2]" 1
278 1 33 LEU MD2 1 36 GLN HG3 . . 5.000 3.904 3.430 5.022 0.022 6 0 "[ . 1 . 2]" 1
279 1 34 SER H 1 34 SER QB . . 3.300 2.239 2.066 2.403 . 0 0 "[ . 1 . 2]" 1
280 1 34 SER HA 1 36 GLN H . . 5.000 3.480 3.391 3.629 . 0 0 "[ . 1 . 2]" 1
281 1 35 GLU H 1 35 GLU HA . . 2.900 2.793 2.778 2.865 . 0 0 "[ . 1 . 2]" 1
282 1 35 GLU H 1 35 GLU QB . . 3.300 2.263 2.154 2.473 . 0 0 "[ . 1 . 2]" 1
283 1 35 GLU H 1 35 GLU QG . . 2.900 2.627 2.160 2.896 . 0 0 "[ . 1 . 2]" 1
284 1 35 GLU H 1 36 GLN H . . 3.300 2.671 2.508 2.713 . 0 0 "[ . 1 . 2]" 1
285 1 35 GLU HA 1 35 GLU QG . . 3.300 2.480 2.094 3.310 0.010 1 0 "[ . 1 . 2]" 1
286 1 35 GLU QB 1 36 GLN H . . 3.300 3.036 2.898 3.519 0.219 1 0 "[ . 1 . 2]" 1
287 1 35 GLU QB 1 37 GLY H . . 5.000 4.835 4.657 5.132 0.132 6 0 "[ . 1 . 2]" 1
288 1 36 GLN H 1 36 GLN HA . . 2.900 2.944 2.936 2.947 0.047 5 0 "[ . 1 . 2]" 1
289 1 36 GLN H 1 36 GLN QB . . 3.300 3.026 2.968 3.124 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLN H 1 36 GLN HG2 . . 3.300 2.305 1.872 2.631 . 0 0 "[ . 1 . 2]" 1
291 1 36 GLN H 1 36 GLN QG . . 3.300 1.971 1.848 2.081 . 0 0 "[ . 1 . 2]" 1
292 1 36 GLN H 1 36 GLN HG3 . . 3.300 2.493 1.888 3.505 0.205 14 0 "[ . 1 . 2]" 1
293 1 36 GLN H 1 37 GLY H . . 3.300 2.053 1.950 2.161 . 0 0 "[ . 1 . 2]" 1
294 1 36 GLN H 1 37 GLY QA . . 5.000 4.056 3.976 4.138 . 0 0 "[ . 1 . 2]" 1
295 1 36 GLN H 1 38 ILE HB . . 5.000 4.791 4.544 5.124 0.124 6 0 "[ . 1 . 2]" 1
296 1 36 GLN H 1 38 ILE QG . . 5.000 4.211 3.688 4.781 . 0 0 "[ . 1 . 2]" 1
297 1 36 GLN QB 1 37 GLY H . . 5.000 2.949 2.796 3.119 . 0 0 "[ . 1 . 2]" 1
298 1 36 GLN QB 1 38 ILE H . . 3.300 3.304 3.024 3.598 0.298 6 0 "[ . 1 . 2]" 1
299 1 36 GLN QG 1 37 GLY H . . 5.000 2.715 1.937 3.089 . 0 0 "[ . 1 . 2]" 1
300 1 36 GLN QG 1 38 ILE H . . 3.300 3.084 2.125 3.395 0.095 1 0 "[ . 1 . 2]" 1
301 1 36 GLN QG 1 38 ILE MD . . 5.000 3.980 3.015 4.408 . 0 0 "[ . 1 . 2]" 1
302 1 36 GLN HG2 1 37 GLY H . . 5.000 3.580 1.948 4.317 . 0 0 "[ . 1 . 2]" 1
303 1 36 GLN HG2 1 38 ILE QG . . 5.000 4.088 2.384 5.008 0.008 8 0 "[ . 1 . 2]" 1
304 1 36 GLN HG3 1 37 GLY H . . 5.000 3.116 2.035 4.288 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLN HG3 1 38 ILE QG . . 5.000 2.921 1.964 3.918 . 0 0 "[ . 1 . 2]" 1
306 1 37 GLY H 1 37 GLY HA2 . . 2.900 2.663 2.550 2.723 . 0 0 "[ . 1 . 2]" 1
307 1 37 GLY H 1 37 GLY HA3 . . 2.900 2.910 2.878 2.950 0.050 16 0 "[ . 1 . 2]" 1
308 1 37 GLY H 1 38 ILE H . . 5.000 1.861 1.801 1.895 . 0 0 "[ . 1 . 2]" 1
309 1 37 GLY H 1 38 ILE HB . . 5.000 4.012 3.825 4.215 . 0 0 "[ . 1 . 2]" 1
310 1 37 GLY H 1 38 ILE HG12 . . 5.000 3.708 3.249 5.006 0.006 14 0 "[ . 1 . 2]" 1
311 1 37 GLY H 1 38 ILE HG13 . . 5.000 4.659 3.366 5.087 0.087 6 0 "[ . 1 . 2]" 1
312 1 37 GLY H 1 38 ILE MG . . 5.000 5.150 5.075 5.245 0.245 16 0 "[ . 1 . 2]" 1
313 1 37 GLY QA 1 38 ILE QG . . 5.000 4.175 3.937 4.329 . 0 0 "[ . 1 . 2]" 1
314 1 38 ILE H 1 38 ILE HB . . 2.900 2.661 2.514 2.718 . 0 0 "[ . 1 . 2]" 1
315 1 38 ILE H 1 38 ILE MD . . 5.000 3.018 2.660 3.795 . 0 0 "[ . 1 . 2]" 1
316 1 38 ILE H 1 38 ILE QG . . 3.300 1.971 1.896 2.194 . 0 0 "[ . 1 . 2]" 1
317 1 38 ILE H 1 39 MET H . . 5.000 4.383 3.185 4.642 . 0 0 "[ . 1 . 2]" 1
318 1 38 ILE HA 1 38 ILE MD . . 3.300 2.518 1.984 3.722 0.422 4 0 "[ . 1 . 2]" 1
319 1 38 ILE HA 1 38 ILE QG . . 3.300 2.882 2.302 3.109 . 0 0 "[ . 1 . 2]" 1
320 1 38 ILE HA 1 38 ILE MG . . 2.500 2.271 2.154 2.443 . 0 0 "[ . 1 . 2]" 1
321 1 38 ILE HA 1 39 MET H . . 2.900 2.436 2.194 3.558 0.658 7 2 "[ . + 1 . - 2]" 1
322 1 38 ILE HA 1 40 VAL H . . 5.000 5.047 5.001 5.230 0.230 6 0 "[ . 1 . 2]" 1
323 1 38 ILE HB 1 39 MET H . . 5.000 3.624 1.868 4.371 . 0 0 "[ . 1 . 2]" 1
324 1 38 ILE HG12 1 39 MET H . . 5.000 4.786 3.905 5.060 0.060 11 0 "[ . 1 . 2]" 1
325 1 38 ILE HG13 1 39 MET H . . 5.000 4.985 4.354 5.181 0.181 4 0 "[ . 1 . 2]" 1
326 1 38 ILE MG 1 39 MET H . . 5.000 2.293 1.902 3.915 . 0 0 "[ . 1 . 2]" 1
327 1 39 MET H 1 39 MET QB . . 3.300 3.167 2.102 3.368 0.068 11 0 "[ . 1 . 2]" 1
328 1 39 MET H 1 39 MET QG . . 3.300 2.578 2.204 3.307 0.007 4 0 "[ . 1 . 2]" 1
329 1 39 MET H 1 40 VAL H . . 5.000 3.213 2.927 4.184 . 0 0 "[ . 1 . 2]" 1
330 1 40 VAL H 1 40 VAL HA . . 2.900 2.943 2.925 2.949 0.049 8 0 "[ . 1 . 2]" 1
331 1 40 VAL H 1 40 VAL MG1 . . 3.300 3.283 3.107 3.366 0.066 19 0 "[ . 1 . 2]" 1
332 1 40 VAL H 1 40 VAL MG2 . . 3.300 2.056 1.863 2.232 . 0 0 "[ . 1 . 2]" 1
333 1 40 VAL HA 1 40 VAL MG1 . . 3.300 2.230 2.134 2.262 . 0 0 "[ . 1 . 2]" 1
334 1 40 VAL HA 1 40 VAL MG2 . . 3.300 3.164 3.142 3.180 . 0 0 "[ . 1 . 2]" 1
335 1 40 VAL HB 1 41 ALA H . . 3.300 3.367 3.293 3.470 0.170 8 0 "[ . 1 . 2]" 1
336 1 40 VAL HB 1 44 THR HB . . 3.300 3.434 3.370 3.675 0.375 15 0 "[ . 1 . 2]" 1
337 1 40 VAL HB 1 44 THR MG . . 5.000 3.674 1.851 3.930 . 0 0 "[ . 1 . 2]" 1
338 1 40 VAL MG1 1 41 ALA H . . 5.000 4.080 4.028 4.194 . 0 0 "[ . 1 . 2]" 1
339 1 40 VAL MG2 1 41 ALA H . . 3.300 1.925 1.886 2.183 . 0 0 "[ . 1 . 2]" 1
340 1 41 ALA H 1 41 ALA MB . . 3.300 2.119 2.028 2.238 . 0 0 "[ . 1 . 2]" 1
341 1 41 ALA H 1 42 ARG H . . 5.000 2.786 2.691 2.821 . 0 0 "[ . 1 . 2]" 1
342 1 41 ALA HA 1 42 ARG H . . 3.300 3.472 3.413 3.488 0.188 14 0 "[ . 1 . 2]" 1
343 1 41 ALA HA 1 43 ARG H . . 5.000 4.834 4.778 4.879 . 0 0 "[ . 1 . 2]" 1
344 1 41 ALA MB 1 42 ARG H . . 3.300 2.890 2.802 3.042 . 0 0 "[ . 1 . 2]" 1
345 1 41 ALA MB 1 43 ARG H . . 5.000 5.079 4.965 5.123 0.123 6 0 "[ . 1 . 2]" 1
346 1 42 ARG H 1 42 ARG HB2 . . 3.300 2.312 2.064 3.539 0.239 14 0 "[ . 1 . 2]" 1
347 1 42 ARG H 1 42 ARG HB3 . . 3.300 2.910 2.513 3.291 . 0 0 "[ . 1 . 2]" 1
348 1 42 ARG H 1 42 ARG QG . . 5.000 3.688 1.907 4.009 . 0 0 "[ . 1 . 2]" 1
349 1 42 ARG H 1 43 ARG H . . 5.000 3.029 2.485 3.109 . 0 0 "[ . 1 . 2]" 1
350 1 42 ARG HA 1 42 ARG QD . . 5.000 3.847 3.132 4.241 . 0 0 "[ . 1 . 2]" 1
351 1 42 ARG HA 1 42 ARG QG . . 3.300 2.280 2.029 3.263 . 0 0 "[ . 1 . 2]" 1
352 1 42 ARG HA 1 45 VAL H . . 5.000 4.710 4.397 4.913 . 0 0 "[ . 1 . 2]" 1
353 1 42 ARG HA 1 45 VAL HB . . 5.000 4.217 3.736 4.388 . 0 0 "[ . 1 . 2]" 1
354 1 42 ARG HA 1 45 VAL MG2 . . 5.000 4.381 4.244 4.780 . 0 0 "[ . 1 . 2]" 1
355 1 42 ARG QB 1 42 ARG QD . . 3.300 2.044 1.947 2.150 . 0 0 "[ . 1 . 2]" 1
356 1 42 ARG QB 1 43 ARG H . . 5.000 2.109 1.981 2.671 . 0 0 "[ . 1 . 2]" 1
357 1 42 ARG QD 1 42 ARG QG . . 2.500 2.049 2.024 2.088 . 0 0 "[ . 1 . 2]" 1
358 1 43 ARG H 1 43 ARG QB . . 2.900 2.350 2.264 2.447 . 0 0 "[ . 1 . 2]" 1
359 1 43 ARG H 1 43 ARG QD . . 5.000 4.236 4.013 4.595 . 0 0 "[ . 1 . 2]" 1
360 1 43 ARG H 1 43 ARG QG . . 5.000 3.316 2.399 4.030 . 0 0 "[ . 1 . 2]" 1
361 1 43 ARG H 1 44 THR H . . 3.300 2.337 2.290 2.595 . 0 0 "[ . 1 . 2]" 1
362 1 43 ARG H 1 45 VAL H . . 5.000 4.440 4.004 4.587 . 0 0 "[ . 1 . 2]" 1
363 1 43 ARG HA 1 43 ARG QD . . 3.300 3.346 3.141 3.501 0.201 19 0 "[ . 1 . 2]" 1
364 1 43 ARG HA 1 44 THR H . . 3.300 3.492 3.456 3.570 0.270 15 0 "[ . 1 . 2]" 1
365 1 43 ARG HA 1 46 ALA H . . 5.000 3.635 3.095 3.937 . 0 0 "[ . 1 . 2]" 1
366 1 43 ARG QB 1 44 THR H . . 5.000 3.047 2.089 3.571 . 0 0 "[ . 1 . 2]" 1
367 1 43 ARG QD 1 44 THR H . . 5.000 3.442 3.007 3.762 . 0 0 "[ . 1 . 2]" 1
368 1 43 ARG QD 1 44 THR HA . . 3.300 2.957 2.374 3.306 0.006 1 0 "[ . 1 . 2]" 1
369 1 44 THR H 1 44 THR HB . . 3.300 2.490 2.371 3.617 0.317 15 0 "[ . 1 . 2]" 1
370 1 44 THR H 1 45 VAL H . . 3.300 2.897 2.686 3.133 . 0 0 "[ . 1 . 2]" 1
371 1 44 THR H 1 45 VAL HB . . 5.000 4.955 4.784 5.143 0.143 15 0 "[ . 1 . 2]" 1
372 1 44 THR HA 1 44 THR MG . . 3.300 2.427 2.358 2.454 . 0 0 "[ . 1 . 2]" 1
373 1 44 THR HA 1 47 LYS H . . 5.000 3.556 3.239 3.970 . 0 0 "[ . 1 . 2]" 1
374 1 44 THR HA 1 47 LYS QB . . 3.300 2.627 2.164 3.326 0.026 19 0 "[ . 1 . 2]" 1
375 1 44 THR HB 1 45 VAL H . . 3.300 2.375 2.217 3.383 0.083 15 0 "[ . 1 . 2]" 1
376 1 44 THR MG 1 45 VAL H . . 5.000 2.937 2.697 3.607 . 0 0 "[ . 1 . 2]" 1
377 1 44 THR MG 1 48 TYR QD . . 5.000 2.607 1.922 5.013 0.013 15 0 "[ . 1 . 2]" 1
378 1 44 THR MG 1 48 TYR QE . . 5.000 2.344 1.879 3.913 . 0 0 "[ . 1 . 2]" 1
379 1 45 VAL H 1 45 VAL HB . . 2.900 2.540 2.321 2.611 . 0 0 "[ . 1 . 2]" 1
380 1 45 VAL H 1 46 ALA H . . 3.300 2.821 2.389 2.910 . 0 0 "[ . 1 . 2]" 1
381 1 45 VAL HA 1 48 TYR H . . 5.000 3.542 3.163 3.754 . 0 0 "[ . 1 . 2]" 1
382 1 45 VAL HA 1 48 TYR QB . . 5.000 3.084 2.530 3.769 . 0 0 "[ . 1 . 2]" 1
383 1 45 VAL HA 1 48 TYR QD . . 3.300 3.096 2.018 3.387 0.087 11 0 "[ . 1 . 2]" 1
384 1 45 VAL HA 1 49 ARG H . . 5.000 4.231 3.997 5.005 0.005 14 0 "[ . 1 . 2]" 1
385 1 45 VAL HB 1 46 ALA H . . 3.300 2.537 2.298 2.741 . 0 0 "[ . 1 . 2]" 1
386 1 45 VAL MG1 1 46 ALA H . . 3.300 3.289 3.093 3.380 0.080 14 0 "[ . 1 . 2]" 1
387 1 45 VAL MG1 1 46 ALA HA . . 5.000 3.336 3.096 3.584 . 0 0 "[ . 1 . 2]" 1
388 1 46 ALA H 1 46 ALA MB . . 3.300 2.146 2.033 2.249 . 0 0 "[ . 1 . 2]" 1
389 1 46 ALA H 1 47 LYS H . . 3.300 2.671 2.425 2.832 . 0 0 "[ . 1 . 2]" 1
390 1 46 ALA HA 1 49 ARG H . . 3.300 3.337 3.251 3.424 0.124 18 0 "[ . 1 . 2]" 1
391 1 46 ALA HA 1 49 ARG QB . . 3.300 2.414 1.919 3.304 0.004 13 0 "[ . 1 . 2]" 1
392 1 46 ALA MB 1 47 LYS H . . 3.300 2.747 2.335 3.058 . 0 0 "[ . 1 . 2]" 1
393 1 47 LYS H 1 47 LYS HA . . 2.900 2.825 2.759 2.884 . 0 0 "[ . 1 . 2]" 1
394 1 47 LYS H 1 47 LYS HB2 . . 3.300 2.204 2.062 3.447 0.147 14 0 "[ . 1 . 2]" 1
395 1 47 LYS H 1 47 LYS QB . . 3.300 2.061 2.043 2.112 . 0 0 "[ . 1 . 2]" 1
396 1 47 LYS H 1 47 LYS HB3 . . 3.300 3.201 2.118 3.346 0.046 18 0 "[ . 1 . 2]" 1
397 1 47 LYS H 1 47 LYS QD . . 5.000 4.400 4.211 4.590 . 0 0 "[ . 1 . 2]" 1
398 1 47 LYS H 1 47 LYS QG . . 3.300 3.304 2.999 3.502 0.202 16 0 "[ . 1 . 2]" 1
399 1 47 LYS H 1 48 TYR H . . 3.300 2.641 2.401 2.927 . 0 0 "[ . 1 . 2]" 1
400 1 47 LYS HA 1 47 LYS QD . . 5.000 2.597 2.069 3.891 . 0 0 "[ . 1 . 2]" 1
401 1 47 LYS HA 1 50 GLU H . . 5.000 4.089 3.719 4.348 . 0 0 "[ . 1 . 2]" 1
402 1 47 LYS QB 1 48 TYR H . . 3.300 2.746 2.355 3.504 0.204 14 0 "[ . 1 . 2]" 1
403 1 47 LYS QB 1 49 ARG H . . 5.000 4.535 4.173 4.948 . 0 0 "[ . 1 . 2]" 1
404 1 47 LYS QG 1 48 TYR H . . 5.000 4.279 2.350 4.642 . 0 0 "[ . 1 . 2]" 1
405 1 48 TYR H 1 48 TYR QB . . 3.300 2.300 2.139 2.449 . 0 0 "[ . 1 . 2]" 1
406 1 48 TYR H 1 48 TYR QD . . 5.000 2.864 2.204 3.291 . 0 0 "[ . 1 . 2]" 1
407 1 48 TYR H 1 48 TYR QE . . 5.000 4.735 4.176 5.028 0.028 14 0 "[ . 1 . 2]" 1
408 1 48 TYR H 1 49 ARG H . . 3.300 2.400 2.355 2.498 . 0 0 "[ . 1 . 2]" 1
409 1 48 TYR HA 1 48 TYR QD . . 3.300 2.606 2.181 3.035 . 0 0 "[ . 1 . 2]" 1
410 1 48 TYR HA 1 48 TYR QE . . 5.000 4.459 4.288 4.691 . 0 0 "[ . 1 . 2]" 1
411 1 48 TYR HA 1 50 GLU H . . 5.000 4.023 3.565 4.461 . 0 0 "[ . 1 . 2]" 1
412 1 48 TYR QB 1 49 ARG H . . 3.300 2.886 2.654 3.025 . 0 0 "[ . 1 . 2]" 1
413 1 48 TYR QB 1 50 GLU H . . 5.000 4.762 4.428 5.003 0.003 1 0 "[ . 1 . 2]" 1
414 1 48 TYR HB2 1 49 ARG H . . 5.000 3.002 2.765 3.235 . 0 0 "[ . 1 . 2]" 1
415 1 48 TYR HB3 1 49 ARG H . . 5.000 3.764 3.347 4.022 . 0 0 "[ . 1 . 2]" 1
416 1 48 TYR QD 1 49 ARG H . . 5.000 4.491 4.139 4.684 . 0 0 "[ . 1 . 2]" 1
417 1 49 ARG H 1 49 ARG QB . . 3.300 2.248 2.201 2.352 . 0 0 "[ . 1 . 2]" 1
418 1 49 ARG H 1 49 ARG QG . . 5.000 3.569 2.540 4.000 . 0 0 "[ . 1 . 2]" 1
419 1 49 ARG H 1 50 GLU H . . 3.300 2.778 2.601 2.897 . 0 0 "[ . 1 . 2]" 1
420 1 49 ARG HA 1 49 ARG HD2 . . 5.000 4.289 2.948 4.983 . 0 0 "[ . 1 . 2]" 1
421 1 49 ARG HA 1 49 ARG HD3 . . 5.000 4.123 2.217 4.972 . 0 0 "[ . 1 . 2]" 1
422 1 49 ARG HA 1 49 ARG QG . . 3.300 2.874 2.463 3.417 0.117 18 0 "[ . 1 . 2]" 1
423 1 49 ARG HA 1 52 LEU H . . 5.000 3.833 3.449 4.213 . 0 0 "[ . 1 . 2]" 1
424 1 49 ARG HA 1 52 LEU QB . . 3.300 3.081 2.337 3.316 0.016 1 0 "[ . 1 . 2]" 1
425 1 49 ARG QG 1 50 GLU H . . 3.300 2.985 2.168 3.328 0.028 19 0 "[ . 1 . 2]" 1
426 1 49 ARG QG 1 51 SER H . . 5.000 4.739 4.455 4.999 . 0 0 "[ . 1 . 2]" 1
427 1 50 GLU H 1 50 GLU QB . . 3.300 2.447 2.296 2.578 . 0 0 "[ . 1 . 2]" 1
428 1 50 GLU H 1 50 GLU HG2 . . 3.300 3.196 3.049 3.297 . 0 0 "[ . 1 . 2]" 1
429 1 50 GLU H 1 50 GLU QG . . 3.300 2.267 1.969 2.603 . 0 0 "[ . 1 . 2]" 1
430 1 50 GLU H 1 50 GLU HG3 . . 3.300 2.329 1.989 2.726 . 0 0 "[ . 1 . 2]" 1
431 1 50 GLU H 1 51 SER H . . 3.300 2.688 2.400 2.796 . 0 0 "[ . 1 . 2]" 1
432 1 50 GLU HA 1 50 GLU HG2 . . 3.300 2.421 2.216 2.676 . 0 0 "[ . 1 . 2]" 1
433 1 50 GLU HA 1 50 GLU HG3 . . 3.300 3.244 3.135 3.292 . 0 0 "[ . 1 . 2]" 1
434 1 50 GLU QB 1 51 SER H . . 3.300 2.747 2.208 2.955 . 0 0 "[ . 1 . 2]" 1
435 1 51 SER H 1 51 SER QB . . 3.300 2.595 2.080 3.080 . 0 0 "[ . 1 . 2]" 1
436 1 51 SER H 1 52 LEU H . . 3.300 2.949 2.618 3.277 . 0 0 "[ . 1 . 2]" 1
437 1 51 SER QB 1 52 LEU H . . 5.000 3.430 1.933 4.057 . 0 0 "[ . 1 . 2]" 1
438 1 52 LEU H 1 52 LEU QD . . 3.300 2.347 1.787 3.456 0.156 19 0 "[ . 1 . 2]" 1
439 1 52 LEU H 1 52 LEU HG . . 3.300 2.282 1.914 3.672 0.372 20 0 "[ . 1 . 2]" 1
440 1 52 LEU H 1 53 SER H . . 3.300 2.719 2.175 2.965 . 0 0 "[ . 1 . 2]" 1
441 1 52 LEU QB 1 53 SER H . . 5.000 3.001 2.312 3.815 . 0 0 "[ . 1 . 2]" 1
442 1 52 LEU QB 1 54 ILE H . . 5.000 3.255 2.532 4.183 . 0 0 "[ . 1 . 2]" 1
443 1 52 LEU QB 1 54 ILE MD . . 3.300 2.783 1.858 3.475 0.175 19 0 "[ . 1 . 2]" 1
444 1 52 LEU QD 1 53 SER H . . 3.300 2.646 1.881 3.329 0.029 19 0 "[ . 1 . 2]" 1
445 1 52 LEU HG 1 53 SER H . . 5.000 3.018 1.932 4.888 . 0 0 "[ . 1 . 2]" 1
446 1 53 SER H 1 54 ILE H . . 3.300 3.028 1.885 3.506 0.206 17 0 "[ . 1 . 2]" 1
447 1 53 SER HA 1 54 ILE MD . . 5.000 4.733 3.858 5.109 0.109 6 0 "[ . 1 . 2]" 1
448 1 54 ILE H 1 54 ILE MD . . 3.300 2.415 1.824 3.310 0.010 6 0 "[ . 1 . 2]" 1
449 1 54 ILE H 1 54 ILE QG . . 3.300 3.494 3.380 3.589 0.289 18 0 "[ . 1 . 2]" 1
450 1 54 ILE H 1 54 ILE MG . . 3.300 2.841 1.889 3.594 0.294 13 0 "[ . 1 . 2]" 1
451 1 54 ILE HA 1 54 ILE QG . . 3.300 2.569 1.960 3.316 0.016 9 0 "[ . 1 . 2]" 1
452 1 54 ILE HA 1 54 ILE MG . . 3.300 2.732 2.661 2.812 . 0 0 "[ . 1 . 2]" 1
453 1 54 ILE HA 1 55 PRO HD2 . . 2.500 2.356 2.203 2.512 0.012 19 0 "[ . 1 . 2]" 1
454 1 54 ILE HA 1 55 PRO HD3 . . 2.500 2.298 2.253 2.351 . 0 0 "[ . 1 . 2]" 1
455 1 54 ILE QG 1 55 PRO HD2 . . 3.300 2.493 2.385 2.607 . 0 0 "[ . 1 . 2]" 1
456 1 54 ILE QG 1 55 PRO HD3 . . 3.300 3.557 3.348 3.834 0.534 9 1 "[ . +1 . 2]" 1
457 1 55 PRO HA 1 56 PRO HD2 . . 2.500 2.396 1.926 2.531 0.031 3 0 "[ . 1 . 2]" 1
458 1 55 PRO HA 1 56 PRO HD3 . . 2.500 2.343 2.278 2.448 . 0 0 "[ . 1 . 2]" 1
459 1 56 PRO HA 1 57 SER H . . 3.300 2.424 2.420 2.429 . 0 0 "[ . 1 . 2]" 1
460 1 56 PRO QB 1 57 SER H . . 3.300 2.487 2.477 2.495 . 0 0 "[ . 1 . 2]" 1
461 1 56 PRO HB2 1 57 SER H . . 3.300 2.554 2.542 2.563 . 0 0 "[ . 1 . 2]" 1
462 1 56 PRO HB2 1 58 ASN H . . 5.000 4.001 2.200 4.598 . 0 0 "[ . 1 . 2]" 1
463 1 56 PRO HB3 1 57 SER H . . 3.300 3.423 3.418 3.429 0.129 13 0 "[ . 1 . 2]" 1
464 1 56 PRO HB3 1 58 ASN H . . 5.000 4.931 3.933 5.121 0.121 20 0 "[ . 1 . 2]" 1
465 1 57 SER H 1 57 SER QB . . 3.300 2.910 2.336 3.244 . 0 0 "[ . 1 . 2]" 1
466 1 57 SER HA 1 59 GLN QG . . 5.000 4.150 3.410 5.034 0.034 14 0 "[ . 1 . 2]" 1
467 1 57 SER HA 1 60 ARG H . . 5.000 4.380 3.287 5.009 0.009 20 0 "[ . 1 . 2]" 1
468 1 58 ASN H 1 59 GLN H . . 5.000 2.760 1.898 3.916 . 0 0 "[ . 1 . 2]" 1
469 1 59 GLN H 1 59 GLN HA . . 2.900 2.893 2.784 2.935 0.035 2 0 "[ . 1 . 2]" 1
470 1 59 GLN H 1 59 GLN QB . . 3.300 2.653 2.494 2.899 . 0 0 "[ . 1 . 2]" 1
471 1 59 GLN H 1 59 GLN HG2 . . 3.300 2.131 1.900 2.571 . 0 0 "[ . 1 . 2]" 1
472 1 59 GLN H 1 59 GLN QG . . 3.300 2.067 1.881 2.300 . 0 0 "[ . 1 . 2]" 1
473 1 59 GLN H 1 59 GLN HG3 . . 3.300 3.082 2.302 3.324 0.024 12 0 "[ . 1 . 2]" 1
474 1 59 GLN HA 1 59 GLN QG . . 3.300 3.263 2.633 3.339 0.039 11 0 "[ . 1 . 2]" 1
475 1 59 GLN QG 1 62 GLN H . . 5.000 4.974 4.750 5.047 0.047 8 0 "[ . 1 . 2]" 1
476 1 60 ARG H 1 60 ARG QB . . 3.300 2.863 2.039 3.307 0.007 3 0 "[ . 1 . 2]" 1
477 1 60 ARG H 1 60 ARG QG . . 5.000 3.606 2.408 4.142 . 0 0 "[ . 1 . 2]" 1
478 1 60 ARG H 1 61 LYS H . . 3.300 2.684 1.878 3.273 . 0 0 "[ . 1 . 2]" 1
479 1 60 ARG HA 1 60 ARG QB . . 2.500 2.422 2.149 2.537 0.037 15 0 "[ . 1 . 2]" 1
480 1 60 ARG HA 1 61 LYS H . . 3.300 3.027 2.279 3.506 0.206 16 0 "[ . 1 . 2]" 1
481 1 61 LYS H 1 61 LYS HB2 . . 3.300 3.164 2.269 3.666 0.366 17 0 "[ . 1 . 2]" 1
482 1 61 LYS H 1 61 LYS QB . . 3.300 2.772 2.178 3.124 . 0 0 "[ . 1 . 2]" 1
483 1 61 LYS H 1 61 LYS HB3 . . 3.300 3.100 2.511 3.386 0.086 17 0 "[ . 1 . 2]" 1
484 1 61 LYS H 1 61 LYS QG . . 5.000 3.881 1.902 4.370 . 0 0 "[ . 1 . 2]" 1
485 1 61 LYS H 1 62 GLN H . . 5.000 3.690 2.665 4.513 . 0 0 "[ . 1 . 2]" 1
486 1 61 LYS HA 1 61 LYS QG . . 3.300 2.470 2.060 3.295 . 0 0 "[ . 1 . 2]" 1
487 1 61 LYS HA 1 62 GLN H . . 2.900 2.406 2.145 2.597 . 0 0 "[ . 1 . 2]" 1
488 1 61 LYS QB 1 62 GLN HA . . 5.000 4.653 4.002 5.035 0.035 2 0 "[ . 1 . 2]" 1
489 1 61 LYS HB2 1 62 GLN H . . 5.000 4.321 3.768 4.652 . 0 0 "[ . 1 . 2]" 1
490 1 61 LYS HB3 1 62 GLN H . . 5.000 3.996 2.712 4.625 . 0 0 "[ . 1 . 2]" 1
491 1 61 LYS QG 1 62 GLN H . . 5.000 3.464 2.028 4.512 . 0 0 "[ . 1 . 2]" 1
492 1 62 GLN H 1 62 GLN HA . . 2.900 2.775 2.274 2.946 0.046 19 0 "[ . 1 . 2]" 1
493 1 62 GLN H 1 62 GLN QG . . 3.300 2.715 2.019 3.299 . 0 0 "[ . 1 . 2]" 1
494 1 62 GLN HA 1 62 GLN QB . . 2.500 2.321 2.173 2.510 0.010 11 0 "[ . 1 . 2]" 1
495 1 62 GLN HA 1 62 GLN HE21 . . 5.000 3.611 3.216 4.194 . 0 0 "[ . 1 . 2]" 1
496 1 62 GLN HA 1 62 GLN HE22 . . 5.000 4.746 3.791 5.205 0.205 19 0 "[ . 1 . 2]" 1
497 1 62 GLN QB 1 63 LEU H . . 3.300 2.579 1.943 3.505 0.205 19 0 "[ . 1 . 2]" 1
498 1 62 GLN HB2 1 63 LEU H . . 5.000 3.139 2.057 4.290 . 0 0 "[ . 1 . 2]" 1
499 1 62 GLN HB3 1 63 LEU H . . 5.000 3.219 1.956 4.049 . 0 0 "[ . 1 . 2]" 1
500 1 62 GLN QG 1 63 LEU H . . 5.000 3.691 1.920 4.578 . 0 0 "[ . 1 . 2]" 1
501 1 63 LEU H 1 63 LEU HA . . 2.900 2.756 2.273 2.923 0.023 2 0 "[ . 1 . 2]" 1
502 1 63 LEU H 1 63 LEU QB . . 3.300 2.651 2.027 3.272 . 0 0 "[ . 1 . 2]" 1
503 1 63 LEU H 1 63 LEU QD . . 5.000 3.564 2.719 4.161 . 0 0 "[ . 1 . 2]" 1
504 1 63 LEU HA 1 64 VAL H . . 3.300 2.401 2.147 3.504 0.204 13 0 "[ . 1 . 2]" 1
505 1 63 LEU QB 1 64 VAL H . . 5.000 3.445 1.942 4.018 . 0 0 "[ . 1 . 2]" 1
506 1 64 VAL H 1 64 VAL MG2 . . 3.300 2.201 1.920 3.710 0.410 9 0 "[ . 1 . 2]" 1
507 1 64 VAL H 1 65 ALA H . . 5.000 4.051 2.039 4.582 . 0 0 "[ . 1 . 2]" 1
508 1 64 VAL HA 1 64 VAL HB . . 2.500 2.481 2.418 2.559 0.059 9 0 "[ . 1 . 2]" 1
509 1 64 VAL HA 1 64 VAL MG2 . . 3.300 3.141 2.191 3.203 . 0 0 "[ . 1 . 2]" 1
510 1 64 VAL HA 1 65 ALA H . . 3.300 2.468 2.141 3.431 0.131 9 0 "[ . 1 . 2]" 1
511 1 64 VAL HB 1 65 ALA H . . 5.000 3.002 1.949 4.416 . 0 0 "[ . 1 . 2]" 1
512 1 64 VAL MG2 1 65 ALA H . . 5.000 3.616 2.798 4.110 . 0 0 "[ . 1 . 2]" 1
513 1 64 VAL MG2 1 65 ALA HA . . 5.000 4.014 3.511 4.565 . 0 0 "[ . 1 . 2]" 1
514 1 65 ALA H 1 65 ALA MB . . 3.300 2.673 2.210 2.878 . 0 0 "[ . 1 . 2]" 1
515 1 65 ALA MB 1 66 ASN H . . 5.000 3.064 2.107 3.716 . 0 0 "[ . 1 . 2]" 1
516 1 67 SER HA 1 70 VAL H . . 3.300 3.209 2.775 3.325 0.025 11 0 "[ . 1 . 2]" 1
517 1 70 VAL H 1 70 VAL QG . . 3.300 2.259 1.924 2.828 . 0 0 "[ . 1 . 2]" 1
518 1 71 ASP HA 1 72 LYS H . . 3.300 2.641 2.514 2.936 . 0 0 "[ . 1 . 2]" 1
519 1 71 ASP QB 1 72 LYS H . . 5.000 3.922 3.769 4.023 . 0 0 "[ . 1 . 2]" 1
520 1 72 LYS QB 1 72 LYS QE . . 3.300 2.713 2.061 3.300 . 11 0 "[ . 1 . 2]" 1
521 1 73 LEU H 1 73 LEU QB . . 3.300 2.588 2.181 3.094 . 0 0 "[ . 1 . 2]" 1
522 1 73 LEU HA 1 74 ALA H . . 3.300 3.048 3.017 3.315 0.015 11 0 "[ . 1 . 2]" 1
523 1 74 ALA H 1 74 ALA HA . . 2.900 2.835 2.795 2.880 . 0 0 "[ . 1 . 2]" 1
524 1 74 ALA HA 1 75 ALA H . . 3.300 3.437 3.436 3.438 0.138 18 0 "[ . 1 . 2]" 1
525 1 74 ALA MB 1 75 ALA H . . 3.300 2.983 2.939 3.028 . 0 0 "[ . 1 . 2]" 1
526 1 76 ALA H 1 76 ALA MB . . 3.300 2.130 2.024 2.243 . 0 0 "[ . 1 . 2]" 1
527 1 77 LEU QB 1 78 GLU H . . 5.000 2.843 2.573 2.954 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 10:14:27 AM GMT (wattos1)