NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568961 |
2lt4   |
18121 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lt4
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 472
_Distance_constraint_stats_list.Viol_count 969
_Distance_constraint_stats_list.Viol_total 1016.787
_Distance_constraint_stats_list.Viol_max 0.464
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0525
_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 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.170 0.048 5 0 "[ . 1 . 2]"
1 9 LYS 1.100 0.064 13 0 "[ . 1 . 2]"
1 10 THR 0.958 0.135 16 0 "[ . 1 . 2]"
1 11 GLY 5.644 0.464 3 0 "[ . 1 . 2]"
1 12 ASP 0.389 0.041 13 0 "[ . 1 . 2]"
1 13 LYS 1.559 0.117 17 0 "[ . 1 . 2]"
1 14 ALA 0.890 0.109 3 0 "[ . 1 . 2]"
1 15 VAL 1.787 0.123 3 0 "[ . 1 . 2]"
1 16 TYR 2.430 0.146 12 0 "[ . 1 . 2]"
1 17 PRO 0.883 0.110 12 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 1.542 0.160 9 0 "[ . 1 . 2]"
1 20 GLY 0.165 0.062 13 0 "[ . 1 . 2]"
1 21 VAL 0.519 0.073 13 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 1.479 0.117 17 0 "[ . 1 . 2]"
1 24 VAL 8.340 0.464 3 0 "[ . 1 . 2]"
1 25 MET 0.957 0.309 13 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 4.346 0.189 13 0 "[ . 1 . 2]"
1 28 GLU 2.413 0.145 13 0 "[ . 1 . 2]"
1 29 HIS 0.375 0.109 4 0 "[ . 1 . 2]"
1 30 THR 0.194 0.060 5 0 "[ . 1 . 2]"
1 31 GLU 0.498 0.070 18 0 "[ . 1 . 2]"
1 32 VAL 2.710 0.272 4 0 "[ . 1 . 2]"
1 33 ALA 0.046 0.027 11 0 "[ . 1 . 2]"
1 34 GLY 0.046 0.027 11 0 "[ . 1 . 2]"
1 35 GLN 0.461 0.070 18 0 "[ . 1 . 2]"
1 36 ARG 2.471 0.272 4 0 "[ . 1 . 2]"
1 37 GLN 0.665 0.072 2 0 "[ . 1 . 2]"
1 38 SER 2.391 0.105 12 0 "[ . 1 . 2]"
1 39 PHE 1.755 0.072 2 0 "[ . 1 . 2]"
1 40 TYR 1.851 0.139 20 0 "[ . 1 . 2]"
1 41 VAL 1.554 0.309 13 0 "[ . 1 . 2]"
1 42 LEU 2.326 0.077 8 0 "[ . 1 . 2]"
1 43 ARG 1.133 0.070 5 0 "[ . 1 . 2]"
1 44 ILE 0.140 0.040 11 0 "[ . 1 . 2]"
1 45 LEU 0.375 0.073 13 0 "[ . 1 . 2]"
1 46 GLU 0.136 0.041 5 0 "[ . 1 . 2]"
1 47 ASN 2.442 0.119 3 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 MET 0.621 0.088 5 0 "[ . 1 . 2]"
1 50 ARG 0.011 0.011 8 0 "[ . 1 . 2]"
1 51 ILE 0.357 0.088 5 0 "[ . 1 . 2]"
1 52 MET 0.115 0.023 5 0 "[ . 1 . 2]"
1 53 ILE 2.117 0.146 3 0 "[ . 1 . 2]"
1 54 PRO 0.532 0.052 10 0 "[ . 1 . 2]"
1 55 ILE 4.924 0.146 3 0 "[ . 1 . 2]"
1 57 LYS 0.048 0.048 9 0 "[ . 1 . 2]"
1 58 VAL 4.504 0.311 1 0 "[ . 1 . 2]"
1 61 VAL 2.769 0.311 1 0 "[ . 1 . 2]"
1 63 LEU 3.273 0.191 18 0 "[ . 1 . 2]"
1 64 ARG 0.101 0.063 4 0 "[ . 1 . 2]"
1 65 GLU 2.094 0.123 3 0 "[ . 1 . 2]"
1 66 ILE 4.151 0.190 15 0 "[ . 1 . 2]"
1 67 ILE 4.479 0.190 15 0 "[ . 1 . 2]"
1 68 SER 0.868 0.163 1 0 "[ . 1 . 2]"
1 69 GLU 0.155 0.074 1 0 "[ . 1 . 2]"
1 70 GLU 1.054 0.071 13 0 "[ . 1 . 2]"
1 71 ASP 1.062 0.071 13 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 5 GLN HA 1 5 GLN QG . . 2.800 2.357 2.075 2.723 . 0 0 "[ . 1 . 2]" 1
2 1 6 THR HA 1 6 THR HB . . 2.800 2.585 2.425 2.728 . 0 0 "[ . 1 . 2]" 1
3 1 8 PHE H 1 8 PHE QB . . 3.690 2.534 2.259 2.716 . 0 0 "[ . 1 . 2]" 1
4 1 8 PHE QD 1 12 ASP QB . . 2.800 2.100 2.064 2.124 . 0 0 "[ . 1 . 2]" 1
5 1 8 PHE QD 1 24 VAL MG2 . . 5.500 5.162 4.720 5.548 0.048 5 0 "[ . 1 . 2]" 1
6 1 9 LYS HA 1 9 LYS HB2 . . 2.970 2.930 2.904 2.983 0.013 12 0 "[ . 1 . 2]" 1
7 1 9 LYS HA 1 9 LYS HB3 . . 2.850 2.878 2.812 2.901 0.051 16 0 "[ . 1 . 2]" 1
8 1 9 LYS HB2 1 10 THR H . . 5.500 3.669 3.572 3.741 . 0 0 "[ . 1 . 2]" 1
9 1 9 LYS QD 1 27 ILE MD . . 3.580 2.866 2.693 3.010 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS QD 1 27 ILE HG13 . . 5.500 5.511 5.409 5.564 0.064 13 0 "[ . 1 . 2]" 1
11 1 9 LYS QE 1 9 LYS HG2 . . 3.090 2.532 2.163 3.140 0.050 12 0 "[ . 1 . 2]" 1
12 1 9 LYS QE 1 9 LYS QG . . 2.800 2.150 2.061 2.400 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS QE 1 9 LYS HG3 . . 3.090 2.384 2.210 2.801 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS QG 1 27 ILE MD . . 5.340 4.475 3.534 4.860 . 0 0 "[ . 1 . 2]" 1
15 1 10 THR H 1 10 THR HB . . 2.890 2.532 2.443 2.600 . 0 0 "[ . 1 . 2]" 1
16 1 10 THR H 1 10 THR MG . . 4.250 3.735 3.706 3.779 . 0 0 "[ . 1 . 2]" 1
17 1 10 THR HA 1 10 THR MG . . 2.800 2.420 2.351 2.508 . 0 0 "[ . 1 . 2]" 1
18 1 10 THR HA 1 24 VAL HB . . 2.800 2.840 2.717 2.935 0.135 16 0 "[ . 1 . 2]" 1
19 1 10 THR HA 1 24 VAL MG1 . . 2.800 2.443 2.341 2.639 . 0 0 "[ . 1 . 2]" 1
20 1 10 THR HB 1 24 VAL MG1 . . 5.500 4.707 4.447 4.944 . 0 0 "[ . 1 . 2]" 1
21 1 10 THR MG 1 11 GLY H . . 3.890 2.434 2.364 2.526 . 0 0 "[ . 1 . 2]" 1
22 1 10 THR MG 1 11 GLY HA3 . . 4.280 3.779 3.714 3.845 . 0 0 "[ . 1 . 2]" 1
23 1 10 THR MG 1 24 VAL MG1 . . 4.160 2.923 2.357 3.573 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLY HA3 1 24 VAL MG1 . . 5.500 5.782 5.573 5.964 0.464 3 0 "[ . 1 . 2]" 1
25 1 12 ASP H 1 12 ASP QB . . 3.450 2.240 2.169 2.418 . 0 0 "[ . 1 . 2]" 1
26 1 12 ASP H 1 24 VAL MG1 . . 5.500 3.960 3.759 4.240 . 0 0 "[ . 1 . 2]" 1
27 1 12 ASP HA 1 12 ASP HB2 . . 3.000 2.656 2.259 2.764 . 0 0 "[ . 1 . 2]" 1
28 1 12 ASP HA 1 12 ASP HB3 . . 3.000 2.971 2.594 3.033 0.033 16 0 "[ . 1 . 2]" 1
29 1 12 ASP QB 1 24 VAL MG2 . . 3.770 2.553 2.072 3.811 0.041 13 0 "[ . 1 . 2]" 1
30 1 12 ASP HB2 1 24 VAL MG2 . . 4.410 3.580 3.005 4.446 0.036 13 0 "[ . 1 . 2]" 1
31 1 12 ASP HB3 1 24 VAL MG2 . . 4.410 2.632 2.111 4.146 . 0 0 "[ . 1 . 2]" 1
32 1 13 LYS H 1 23 GLU QG . . 5.340 4.073 3.747 4.389 . 0 0 "[ . 1 . 2]" 1
33 1 13 LYS HA 1 13 LYS HG2 . . 2.850 2.414 2.316 2.613 . 0 0 "[ . 1 . 2]" 1
34 1 13 LYS HA 1 13 LYS QG . . 2.280 2.235 2.174 2.296 0.016 18 0 "[ . 1 . 2]" 1
35 1 13 LYS HA 1 13 LYS HG3 . . 2.850 2.664 2.345 2.798 . 0 0 "[ . 1 . 2]" 1
36 1 13 LYS HA 1 14 ALA H . . 3.250 2.136 2.112 2.157 . 0 0 "[ . 1 . 2]" 1
37 1 13 LYS HA 1 23 GLU HA . . 2.600 2.585 2.438 2.666 0.066 6 0 "[ . 1 . 2]" 1
38 1 13 LYS QB 1 13 LYS QE . . 2.940 2.453 2.067 3.001 0.061 8 0 "[ . 1 . 2]" 1
39 1 13 LYS QE 1 13 LYS QG . . 2.800 2.292 2.006 2.693 . 0 0 "[ . 1 . 2]" 1
40 1 13 LYS QG 1 23 GLU HA . . 3.020 2.707 2.183 2.952 . 0 0 "[ . 1 . 2]" 1
41 1 13 LYS QG 1 23 GLU HB2 . . 5.340 2.318 2.262 2.423 . 0 0 "[ . 1 . 2]" 1
42 1 13 LYS QG 1 23 GLU QG . . 5.180 2.722 2.418 3.118 . 0 0 "[ . 1 . 2]" 1
43 1 13 LYS HG2 1 23 GLU HA . . 3.590 3.639 3.526 3.707 0.117 17 0 "[ . 1 . 2]" 1
44 1 13 LYS HG3 1 23 GLU HA . . 3.590 2.802 2.199 3.130 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA HA 1 65 GLU HA . . 2.600 2.642 2.571 2.709 0.109 3 0 "[ . 1 . 2]" 1
46 1 14 ALA MB 1 15 VAL H . . 4.130 2.390 2.295 2.489 . 0 0 "[ . 1 . 2]" 1
47 1 14 ALA MB 1 63 LEU HB2 . . 5.500 3.232 2.227 3.544 . 0 0 "[ . 1 . 2]" 1
48 1 14 ALA MB 1 63 LEU MD2 . . 5.500 3.088 2.097 4.345 . 0 0 "[ . 1 . 2]" 1
49 1 14 ALA MB 1 64 ARG H . . 5.500 2.582 2.241 3.848 . 0 0 "[ . 1 . 2]" 1
50 1 15 VAL H 1 15 VAL HB . . 3.310 2.546 2.520 2.577 . 0 0 "[ . 1 . 2]" 1
51 1 15 VAL H 1 15 VAL MG2 . . 3.890 2.264 2.204 2.396 . 0 0 "[ . 1 . 2]" 1
52 1 15 VAL H 1 64 ARG H . . 5.500 3.314 3.061 4.421 . 0 0 "[ . 1 . 2]" 1
53 1 15 VAL HA 1 15 VAL MG1 . . 3.280 2.470 2.422 2.505 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL HA 1 15 VAL MG2 . . 2.800 2.388 2.343 2.454 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL HB 1 65 GLU HA . . 5.500 4.040 3.791 4.239 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL HB 1 66 ILE MD . . 5.500 3.151 2.372 4.659 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL HB 1 66 ILE HG12 . . 5.500 2.851 2.094 3.994 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL HB 1 66 ILE HG13 . . 5.500 4.349 3.098 5.548 0.048 12 0 "[ . 1 . 2]" 1
59 1 15 VAL HB 1 66 ILE MG . . 5.500 3.177 2.135 4.291 . 0 0 "[ . 1 . 2]" 1
60 1 15 VAL MG1 1 16 TYR H . . 4.540 3.428 3.363 3.472 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL MG1 1 17 PRO HA . . 5.500 4.493 4.410 4.593 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL MG1 1 20 GLY QA . . 3.790 1.901 1.858 1.950 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL MG1 1 65 GLU HA . . 5.500 5.245 5.087 5.398 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL MG1 1 66 ILE H . . 5.500 4.491 3.937 5.178 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL MG2 1 20 GLY H . . 5.500 5.468 5.362 5.562 0.062 13 0 "[ . 1 . 2]" 1
66 1 15 VAL MG2 1 20 GLY QA . . 3.440 3.097 2.943 3.228 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL MG2 1 21 VAL H . . 5.500 5.489 5.336 5.559 0.059 9 0 "[ . 1 . 2]" 1
68 1 15 VAL MG2 1 21 VAL HA . . 5.500 4.989 4.784 5.329 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL MG2 1 65 GLU HA . . 2.800 2.860 2.832 2.923 0.123 3 0 "[ . 1 . 2]" 1
70 1 15 VAL MG2 1 66 ILE HG12 . . 5.500 2.262 1.988 2.971 . 0 0 "[ . 1 . 2]" 1
71 1 16 TYR H 1 16 TYR QB . . 3.550 2.287 2.236 2.431 . 0 0 "[ . 1 . 2]" 1
72 1 16 TYR HA 1 16 TYR QD . . 3.770 3.644 3.628 3.676 . 0 0 "[ . 1 . 2]" 1
73 1 16 TYR HA 1 17 PRO HD2 . . 2.900 2.500 2.454 2.599 . 0 0 "[ . 1 . 2]" 1
74 1 16 TYR HA 1 17 PRO HD3 . . 2.800 2.437 2.349 2.490 . 0 0 "[ . 1 . 2]" 1
75 1 16 TYR HA 1 63 LEU HA . . 2.600 2.563 2.422 2.686 0.086 16 0 "[ . 1 . 2]" 1
76 1 16 TYR HA 1 63 LEU MD1 . . 4.370 3.317 2.397 4.226 . 0 0 "[ . 1 . 2]" 1
77 1 16 TYR QB 1 19 GLN H . . 5.120 4.930 4.798 5.083 . 0 0 "[ . 1 . 2]" 1
78 1 16 TYR QD 1 17 PRO HD2 . . 2.800 2.387 2.318 2.625 . 0 0 "[ . 1 . 2]" 1
79 1 16 TYR QD 1 17 PRO HD3 . . 3.900 3.937 3.916 4.004 0.104 12 0 "[ . 1 . 2]" 1
80 1 16 TYR QD 1 17 PRO HG2 . . 3.020 2.960 2.866 3.130 0.110 12 0 "[ . 1 . 2]" 1
81 1 16 TYR QD 1 20 GLY H . . 4.320 2.795 2.532 3.579 . 0 0 "[ . 1 . 2]" 1
82 1 16 TYR QD 1 63 LEU MD1 . . 5.420 3.981 3.668 4.416 . 0 0 "[ . 1 . 2]" 1
83 1 16 TYR QE 1 19 GLN H . . 4.190 2.965 2.655 3.490 . 0 0 "[ . 1 . 2]" 1
84 1 16 TYR QE 1 19 GLN QG . . 2.800 2.856 2.808 2.946 0.146 12 0 "[ . 1 . 2]" 1
85 1 17 PRO QB 1 18 GLY H . . 3.930 3.877 3.725 3.917 . 0 0 "[ . 1 . 2]" 1
86 1 19 GLN H 1 19 GLN QG . . 4.640 3.023 2.830 4.075 . 0 0 "[ . 1 . 2]" 1
87 1 19 GLN HA 1 19 GLN HB3 . . 2.800 2.453 2.375 2.960 0.160 9 0 "[ . 1 . 2]" 1
88 1 19 GLN HA 1 19 GLN QG . . 2.960 2.742 2.523 3.029 0.069 7 0 "[ . 1 . 2]" 1
89 1 19 GLN HB2 1 20 GLY H . . 5.500 2.705 2.386 4.226 . 0 0 "[ . 1 . 2]" 1
90 1 19 GLN HB3 1 20 GLY H . . 5.500 3.705 2.975 3.887 . 0 0 "[ . 1 . 2]" 1
91 1 19 GLN HB3 1 20 GLY QA . . 5.340 4.612 4.534 4.672 . 0 0 "[ . 1 . 2]" 1
92 1 19 GLN QE 1 46 GLU QG . . 5.340 4.693 2.397 5.381 0.041 5 0 "[ . 1 . 2]" 1
93 1 19 GLN QG 1 44 ILE MG . . 5.500 3.777 3.067 4.892 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLY QA 1 21 VAL QG . . 5.280 3.699 3.538 4.262 . 0 0 "[ . 1 . 2]" 1
95 1 21 VAL H 1 21 VAL QG . . 3.490 2.419 1.912 2.656 . 0 0 "[ . 1 . 2]" 1
96 1 21 VAL HA 1 21 VAL MG1 . . 3.390 2.565 2.216 3.275 . 0 0 "[ . 1 . 2]" 1
97 1 21 VAL HA 1 21 VAL MG2 . . 3.390 2.435 2.273 3.269 . 0 0 "[ . 1 . 2]" 1
98 1 21 VAL HA 1 22 GLY H . . 3.540 2.125 2.076 2.210 . 0 0 "[ . 1 . 2]" 1
99 1 21 VAL HA 1 45 LEU QD . . 5.440 4.994 3.281 5.513 0.073 13 0 "[ . 1 . 2]" 1
100 1 21 VAL HB 1 46 GLU QB . . 5.340 3.087 2.104 4.182 . 0 0 "[ . 1 . 2]" 1
101 1 21 VAL HB 1 46 GLU QG . . 5.500 4.044 2.588 5.436 . 0 0 "[ . 1 . 2]" 1
102 1 21 VAL QG 1 22 GLY H . . 4.130 2.729 2.315 3.587 . 0 0 "[ . 1 . 2]" 1
103 1 21 VAL QG 1 22 GLY HA2 . . 5.310 3.378 3.182 4.278 . 0 0 "[ . 1 . 2]" 1
104 1 21 VAL QG 1 45 LEU QB . . 3.080 2.478 2.158 3.085 0.005 5 0 "[ . 1 . 2]" 1
105 1 21 VAL QG 1 45 LEU QD . . 5.370 3.273 2.981 3.636 . 0 0 "[ . 1 . 2]" 1
106 1 21 VAL QG 1 46 GLU QB . . 5.280 2.310 1.986 2.759 . 0 0 "[ . 1 . 2]" 1
107 1 22 GLY HA2 1 44 ILE HA . . 2.800 2.408 2.219 2.566 . 0 0 "[ . 1 . 2]" 1
108 1 23 GLU HA 1 23 GLU HB2 . . 2.800 2.537 2.490 2.569 . 0 0 "[ . 1 . 2]" 1
109 1 23 GLU HA 1 23 GLU QG . . 2.800 2.347 2.307 2.389 . 0 0 "[ . 1 . 2]" 1
110 1 23 GLU HB2 1 45 LEU H . . 5.500 5.360 5.165 5.504 0.004 16 0 "[ . 1 . 2]" 1
111 1 23 GLU HB3 1 24 VAL HA . . 5.500 5.307 5.258 5.408 . 0 0 "[ . 1 . 2]" 1
112 1 23 GLU HB3 1 45 LEU H . . 5.500 5.380 5.276 5.533 0.033 5 0 "[ . 1 . 2]" 1
113 1 23 GLU HB3 1 45 LEU QD . . 5.440 2.880 2.218 4.706 . 0 0 "[ . 1 . 2]" 1
114 1 23 GLU QG 1 24 VAL H . . 5.000 2.632 2.524 2.738 . 0 0 "[ . 1 . 2]" 1
115 1 24 VAL H 1 24 VAL MG1 . . 3.790 3.811 3.803 3.816 0.026 6 0 "[ . 1 . 2]" 1
116 1 24 VAL H 1 24 VAL MG2 . . 4.680 2.105 2.072 2.246 . 0 0 "[ . 1 . 2]" 1
117 1 24 VAL HA 1 24 VAL MG1 . . 2.800 2.370 2.326 2.410 . 0 0 "[ . 1 . 2]" 1
118 1 24 VAL HA 1 24 VAL MG2 . . 2.800 2.432 2.371 2.502 . 0 0 "[ . 1 . 2]" 1
119 1 24 VAL HA 1 42 LEU HA . . 2.600 2.650 2.593 2.676 0.076 14 0 "[ . 1 . 2]" 1
120 1 24 VAL HA 1 42 LEU MD1 . . 2.800 2.464 2.304 2.666 . 0 0 "[ . 1 . 2]" 1
121 1 24 VAL MG1 1 26 GLY H . . 3.980 2.489 2.369 2.600 . 0 0 "[ . 1 . 2]" 1
122 1 24 VAL MG1 1 26 GLY QA . . 5.340 3.267 3.133 3.378 . 0 0 "[ . 1 . 2]" 1
123 1 24 VAL MG1 1 40 TYR HB3 . . 4.210 3.937 3.689 4.117 . 0 0 "[ . 1 . 2]" 1
124 1 24 VAL MG1 1 40 TYR QD . . 2.800 2.348 2.108 2.686 . 0 0 "[ . 1 . 2]" 1
125 1 24 VAL MG1 1 42 LEU HA . . 5.500 4.056 3.926 4.135 . 0 0 "[ . 1 . 2]" 1
126 1 24 VAL MG1 1 42 LEU HB2 . . 5.500 4.518 4.278 4.690 . 0 0 "[ . 1 . 2]" 1
127 1 24 VAL MG2 1 40 TYR QD . . 4.250 3.431 3.167 3.952 . 0 0 "[ . 1 . 2]" 1
128 1 24 VAL MG2 1 42 LEU MD2 . . 5.500 3.840 3.593 4.044 . 0 0 "[ . 1 . 2]" 1
129 1 25 MET H 1 25 MET QG . . 4.350 3.904 2.657 4.148 . 0 0 "[ . 1 . 2]" 1
130 1 25 MET H 1 26 GLY H . . 4.450 2.321 2.213 2.429 . 0 0 "[ . 1 . 2]" 1
131 1 25 MET HA 1 25 MET ME . . 4.320 3.381 2.134 4.375 0.055 16 0 "[ . 1 . 2]" 1
132 1 25 MET HA 1 25 MET QG . . 3.300 2.533 2.099 3.041 . 0 0 "[ . 1 . 2]" 1
133 1 25 MET ME 1 41 VAL QG . . 5.440 4.803 2.067 5.441 0.001 18 0 "[ . 1 . 2]" 1
134 1 25 MET QG 1 41 VAL QG . . 3.710 3.454 2.924 4.019 0.309 13 0 "[ . 1 . 2]" 1
135 1 26 GLY H 1 41 VAL QG . . 4.720 3.413 3.244 3.722 . 0 0 "[ . 1 . 2]" 1
136 1 26 GLY HA3 1 27 ILE MD . . 5.500 3.926 3.865 3.994 . 0 0 "[ . 1 . 2]" 1
137 1 27 ILE H 1 27 ILE HB . . 3.360 2.637 2.554 2.697 . 0 0 "[ . 1 . 2]" 1
138 1 27 ILE H 1 27 ILE MD . . 2.800 2.790 2.631 2.828 0.028 1 0 "[ . 1 . 2]" 1
139 1 27 ILE H 1 27 ILE HG13 . . 4.340 4.124 4.034 4.208 . 0 0 "[ . 1 . 2]" 1
140 1 27 ILE H 1 27 ILE MG . . 4.110 3.847 3.793 3.878 . 0 0 "[ . 1 . 2]" 1
141 1 27 ILE H 1 41 VAL QG . . 3.870 3.689 3.485 4.059 0.189 13 0 "[ . 1 . 2]" 1
142 1 27 ILE HA 1 27 ILE MD . . 3.000 3.057 3.010 3.090 0.090 2 0 "[ . 1 . 2]" 1
143 1 27 ILE HA 1 27 ILE HG12 . . 3.670 3.624 3.587 3.676 0.006 14 0 "[ . 1 . 2]" 1
144 1 27 ILE HA 1 27 ILE HG13 . . 2.800 2.362 2.306 2.435 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE HA 1 27 ILE MG . . 2.800 2.492 2.445 2.548 . 0 0 "[ . 1 . 2]" 1
146 1 27 ILE HA 1 28 GLU H . . 3.340 2.168 2.086 2.215 . 0 0 "[ . 1 . 2]" 1
147 1 27 ILE HB 1 27 ILE HG12 . . 2.800 2.571 2.526 2.597 . 0 0 "[ . 1 . 2]" 1
148 1 27 ILE MD 1 40 TYR QD . . 5.500 3.465 3.209 3.656 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE MD 1 40 TYR QE . . 2.800 2.622 2.501 2.767 . 0 0 "[ . 1 . 2]" 1
150 1 27 ILE MD 1 41 VAL H . . 5.500 4.226 3.984 4.634 . 0 0 "[ . 1 . 2]" 1
151 1 27 ILE HG13 1 28 GLU H . . 3.920 4.018 3.980 4.065 0.145 13 0 "[ . 1 . 2]" 1
152 1 27 ILE HG13 1 40 TYR QD . . 3.560 3.253 2.967 3.590 0.030 8 0 "[ . 1 . 2]" 1
153 1 27 ILE MG 1 28 GLU H . . 3.510 2.407 2.271 2.639 . 0 0 "[ . 1 . 2]" 1
154 1 27 ILE MG 1 29 HIS HE1 . . 2.800 2.531 2.366 2.909 0.109 4 0 "[ . 1 . 2]" 1
155 1 27 ILE MG 1 38 SER QB . . 4.160 3.170 2.478 3.698 . 0 0 "[ . 1 . 2]" 1
156 1 27 ILE MG 1 40 TYR QD . . 4.560 4.465 4.341 4.615 0.055 4 0 "[ . 1 . 2]" 1
157 1 28 GLU H 1 28 GLU QG . . 4.930 3.880 3.577 4.399 . 0 0 "[ . 1 . 2]" 1
158 1 28 GLU HA 1 28 GLU QG . . 2.800 2.465 2.061 2.745 . 0 0 "[ . 1 . 2]" 1
159 1 28 GLU HA 1 29 HIS HD2 . . 4.530 4.171 3.420 4.612 0.082 4 0 "[ . 1 . 2]" 1
160 1 28 GLU QB 1 39 PHE QD . . 4.170 3.503 3.194 4.207 0.037 4 0 "[ . 1 . 2]" 1
161 1 28 GLU QG 1 29 HIS H . . 5.500 3.583 2.587 3.972 . 0 0 "[ . 1 . 2]" 1
162 1 28 GLU QG 1 30 THR MG . . 5.180 4.967 3.785 5.198 0.018 12 0 "[ . 1 . 2]" 1
163 1 28 GLU QG 1 39 PHE HB2 . . 5.500 4.014 3.147 4.927 . 0 0 "[ . 1 . 2]" 1
164 1 28 GLU QG 1 41 VAL H . . 5.500 5.204 4.858 5.571 0.071 3 0 "[ . 1 . 2]" 1
165 1 28 GLU QG 1 41 VAL QG . . 3.940 2.344 2.001 3.129 . 0 0 "[ . 1 . 2]" 1
166 1 28 GLU QG 1 52 MET HB3 . . 5.500 5.323 4.400 5.523 0.023 5 0 "[ . 1 . 2]" 1
167 1 29 HIS H 1 29 HIS QB . . 3.820 2.777 2.658 3.265 . 0 0 "[ . 1 . 2]" 1
168 1 29 HIS H 1 29 HIS HD2 . . 4.540 3.730 2.861 4.263 . 0 0 "[ . 1 . 2]" 1
169 1 29 HIS HA 1 38 SER HA . . 2.600 2.384 2.135 2.513 . 0 0 "[ . 1 . 2]" 1
170 1 29 HIS QB 1 29 HIS HD2 . . 2.850 2.585 2.517 2.904 0.054 4 0 "[ . 1 . 2]" 1
171 1 29 HIS QB 1 30 THR H . . 3.690 3.454 3.369 3.499 . 0 0 "[ . 1 . 2]" 1
172 1 30 THR H 1 30 THR MG . . 2.880 2.505 2.434 2.591 . 0 0 "[ . 1 . 2]" 1
173 1 30 THR H 1 37 GLN H . . 4.260 3.668 3.481 3.863 . 0 0 "[ . 1 . 2]" 1
174 1 30 THR HB 1 31 GLU H . . 5.500 3.680 3.594 3.973 . 0 0 "[ . 1 . 2]" 1
175 1 30 THR MG 1 31 GLU H . . 3.530 2.997 2.760 3.590 0.060 5 0 "[ . 1 . 2]" 1
176 1 30 THR MG 1 37 GLN QB . . 5.500 3.400 3.040 4.310 . 0 0 "[ . 1 . 2]" 1
177 1 30 THR MG 1 37 GLN QG . . 5.340 4.963 4.535 5.394 0.054 4 0 "[ . 1 . 2]" 1
178 1 30 THR MG 1 39 PHE QD . . 2.800 2.462 2.233 2.741 . 0 0 "[ . 1 . 2]" 1
179 1 30 THR MG 1 39 PHE QE . . 2.800 2.298 2.116 2.482 . 0 0 "[ . 1 . 2]" 1
180 1 30 THR MG 1 39 PHE HZ . . 4.310 4.000 3.281 4.296 . 0 0 "[ . 1 . 2]" 1
181 1 31 GLU H 1 31 GLU HG2 . . 5.500 4.567 4.192 4.729 . 0 0 "[ . 1 . 2]" 1
182 1 31 GLU H 1 31 GLU HG3 . . 5.500 4.385 2.983 5.018 . 0 0 "[ . 1 . 2]" 1
183 1 31 GLU HA 1 31 GLU HB2 . . 3.020 2.682 2.440 3.027 0.007 2 0 "[ . 1 . 2]" 1
184 1 31 GLU HA 1 31 GLU HB3 . . 3.020 2.910 2.563 3.036 0.016 20 0 "[ . 1 . 2]" 1
185 1 31 GLU HA 1 31 GLU HG2 . . 3.960 2.716 2.393 3.061 . 0 0 "[ . 1 . 2]" 1
186 1 31 GLU HA 1 31 GLU HG3 . . 3.960 2.563 2.366 3.114 . 0 0 "[ . 1 . 2]" 1
187 1 31 GLU QB 1 32 VAL QG . . 5.280 4.400 4.103 4.521 . 0 0 "[ . 1 . 2]" 1
188 1 31 GLU QB 1 36 ARG QG . . 5.180 3.518 2.753 5.145 . 0 0 "[ . 1 . 2]" 1
189 1 31 GLU QG 1 35 GLN QG . . 5.180 4.937 4.629 5.250 0.070 18 0 "[ . 1 . 2]" 1
190 1 32 VAL H 1 32 VAL QG . . 3.010 2.224 1.941 2.781 . 0 0 "[ . 1 . 2]" 1
191 1 32 VAL H 1 35 GLN QB . . 4.710 4.005 3.603 4.159 . 0 0 "[ . 1 . 2]" 1
192 1 32 VAL HA 1 32 VAL QG . . 3.040 2.302 2.109 2.379 . 0 0 "[ . 1 . 2]" 1
193 1 32 VAL QG 1 36 ARG QB . . 5.500 5.619 5.418 5.772 0.272 4 0 "[ . 1 . 2]" 1
194 1 32 VAL QG 1 39 PHE QE . . 2.840 2.701 2.529 2.901 0.061 20 0 "[ . 1 . 2]" 1
195 1 32 VAL QG 1 39 PHE HZ . . 2.800 2.708 2.044 2.856 0.056 3 0 "[ . 1 . 2]" 1
196 1 33 ALA HA 1 35 GLN H . . 5.500 4.527 4.405 4.616 . 0 0 "[ . 1 . 2]" 1
197 1 33 ALA MB 1 34 GLY H . . 3.720 3.710 3.687 3.747 0.027 11 0 "[ . 1 . 2]" 1
198 1 33 ALA MB 1 35 GLN QB . . 5.340 3.424 3.245 3.764 . 0 0 "[ . 1 . 2]" 1
199 1 34 GLY H 1 35 GLN H . . 3.920 2.655 2.574 2.847 . 0 0 "[ . 1 . 2]" 1
200 1 35 GLN H 1 35 GLN QB . . 3.410 2.449 2.324 2.540 . 0 0 "[ . 1 . 2]" 1
201 1 35 GLN H 1 35 GLN HG2 . . 4.860 4.569 4.353 4.712 . 0 0 "[ . 1 . 2]" 1
202 1 35 GLN H 1 35 GLN QG . . 4.260 3.832 3.238 4.120 . 0 0 "[ . 1 . 2]" 1
203 1 35 GLN H 1 35 GLN HG3 . . 4.860 4.158 3.340 4.660 . 0 0 "[ . 1 . 2]" 1
204 1 35 GLN HA 1 35 GLN HB2 . . 3.000 2.833 2.579 3.028 0.028 16 0 "[ . 1 . 2]" 1
205 1 35 GLN HA 1 35 GLN HB3 . . 3.000 2.870 2.593 3.031 0.031 2 0 "[ . 1 . 2]" 1
206 1 35 GLN HA 1 35 GLN HG2 . . 2.850 2.517 2.287 2.832 . 0 0 "[ . 1 . 2]" 1
207 1 35 GLN HA 1 35 GLN QG . . 2.800 2.253 2.184 2.339 . 0 0 "[ . 1 . 2]" 1
208 1 35 GLN HA 1 35 GLN HG3 . . 2.850 2.596 2.421 2.836 . 0 0 "[ . 1 . 2]" 1
209 1 35 GLN QB 1 35 GLN HE21 . . 3.700 2.901 2.320 3.707 0.007 13 0 "[ . 1 . 2]" 1
210 1 35 GLN QB 1 35 GLN HE22 . . 4.030 3.667 3.440 4.020 . 0 0 "[ . 1 . 2]" 1
211 1 35 GLN QB 1 36 ARG H . . 4.330 3.426 2.936 3.746 . 0 0 "[ . 1 . 2]" 1
212 1 35 GLN HE21 1 35 GLN QG . . 2.810 2.371 2.197 2.579 . 0 0 "[ . 1 . 2]" 1
213 1 35 GLN HE22 1 35 GLN QG . . 3.450 3.368 3.283 3.436 . 0 0 "[ . 1 . 2]" 1
214 1 36 ARG H 1 36 ARG QB . . 3.680 2.341 2.104 2.581 . 0 0 "[ . 1 . 2]" 1
215 1 36 ARG HA 1 36 ARG HG2 . . 3.340 2.664 2.350 3.254 . 0 0 "[ . 1 . 2]" 1
216 1 36 ARG HA 1 36 ARG QG . . 2.800 2.348 2.114 2.532 . 0 0 "[ . 1 . 2]" 1
217 1 36 ARG HA 1 36 ARG HG3 . . 3.340 2.744 2.144 3.310 . 0 0 "[ . 1 . 2]" 1
218 1 36 ARG QB 1 36 ARG QD . . 2.800 2.168 2.065 2.395 . 0 0 "[ . 1 . 2]" 1
219 1 36 ARG QD 1 36 ARG HG2 . . 2.800 2.410 2.157 2.572 . 0 0 "[ . 1 . 2]" 1
220 1 36 ARG QD 1 36 ARG HG3 . . 2.800 2.304 2.130 2.580 . 0 0 "[ . 1 . 2]" 1
221 1 37 GLN H 1 37 GLN QB . . 3.500 2.669 2.430 2.829 . 0 0 "[ . 1 . 2]" 1
222 1 37 GLN HA 1 37 GLN HG2 . . 3.140 2.516 2.087 3.150 0.010 4 0 "[ . 1 . 2]" 1
223 1 37 GLN HA 1 37 GLN QG . . 2.800 2.180 2.061 2.415 . 0 0 "[ . 1 . 2]" 1
224 1 37 GLN HA 1 37 GLN HG3 . . 3.140 2.702 2.222 3.190 0.050 3 0 "[ . 1 . 2]" 1
225 1 37 GLN QB 1 37 GLN QE . . 3.800 3.009 2.227 3.633 . 0 0 "[ . 1 . 2]" 1
226 1 37 GLN QB 1 39 PHE QD . . 5.120 4.095 3.598 4.464 . 0 0 "[ . 1 . 2]" 1
227 1 37 GLN QB 1 39 PHE QE . . 2.800 2.530 2.240 2.820 0.020 16 0 "[ . 1 . 2]" 1
228 1 37 GLN QB 1 39 PHE HZ . . 3.750 3.537 2.720 3.800 0.050 13 0 "[ . 1 . 2]" 1
229 1 37 GLN QE 1 37 GLN QG . . 2.930 2.280 2.096 2.566 . 0 0 "[ . 1 . 2]" 1
230 1 37 GLN QE 1 54 PRO QG . . 4.760 4.236 3.582 4.739 . 0 0 "[ . 1 . 2]" 1
231 1 37 GLN HG2 1 39 PHE HZ . . 5.500 4.665 3.727 5.572 0.072 2 0 "[ . 1 . 2]" 1
232 1 37 GLN HG3 1 39 PHE HZ . . 5.500 5.320 4.985 5.561 0.061 7 0 "[ . 1 . 2]" 1
233 1 38 SER HA 1 38 SER HB2 . . 3.000 3.009 2.994 3.019 0.019 4 0 "[ . 1 . 2]" 1
234 1 38 SER HA 1 38 SER HB3 . . 3.000 2.621 2.564 2.711 . 0 0 "[ . 1 . 2]" 1
235 1 38 SER HA 1 39 PHE H . . 3.490 2.308 2.246 2.392 . 0 0 "[ . 1 . 2]" 1
236 1 38 SER HA 1 39 PHE QD . . 3.090 3.065 2.935 3.117 0.027 18 0 "[ . 1 . 2]" 1
237 1 38 SER QB 1 55 ILE MD . . 2.800 1.975 1.895 2.052 . 0 0 "[ . 1 . 2]" 1
238 1 38 SER QB 1 55 ILE MG . . 2.800 2.348 2.156 2.502 . 0 0 "[ . 1 . 2]" 1
239 1 38 SER HB2 1 55 ILE MD . . 2.850 2.008 1.919 2.096 . 0 0 "[ . 1 . 2]" 1
240 1 38 SER HB2 1 55 ILE MG . . 2.800 2.814 2.744 2.861 0.061 15 0 "[ . 1 . 2]" 1
241 1 38 SER HB3 1 55 ILE MD . . 2.850 2.934 2.887 2.955 0.105 12 0 "[ . 1 . 2]" 1
242 1 38 SER HB3 1 55 ILE MG . . 2.800 2.529 2.230 2.790 . 0 0 "[ . 1 . 2]" 1
243 1 39 PHE H 1 39 PHE QD . . 3.730 3.074 2.919 3.201 . 0 0 "[ . 1 . 2]" 1
244 1 39 PHE HA 1 39 PHE HB3 . . 2.800 2.513 2.471 2.542 . 0 0 "[ . 1 . 2]" 1
245 1 39 PHE HA 1 39 PHE QD . . 3.920 3.179 3.113 3.249 . 0 0 "[ . 1 . 2]" 1
246 1 39 PHE HA 1 40 TYR H . . 3.550 2.317 2.199 2.412 . 0 0 "[ . 1 . 2]" 1
247 1 39 PHE HA 1 54 PRO HA . . 2.850 2.795 2.662 2.876 0.026 16 0 "[ . 1 . 2]" 1
248 1 39 PHE HA 1 55 ILE H . . 2.600 2.610 2.501 2.649 0.049 6 0 "[ . 1 . 2]" 1
249 1 39 PHE HA 1 55 ILE MG . . 2.800 2.520 2.281 2.811 0.011 17 0 "[ . 1 . 2]" 1
250 1 39 PHE HB2 1 52 MET HB3 . . 4.440 3.772 3.057 4.448 0.008 10 0 "[ . 1 . 2]" 1
251 1 39 PHE HB3 1 40 TYR H . . 3.770 2.598 2.256 3.295 . 0 0 "[ . 1 . 2]" 1
252 1 39 PHE HB3 1 52 MET HB3 . . 3.310 2.741 2.282 3.291 . 0 0 "[ . 1 . 2]" 1
253 1 39 PHE QD 1 40 TYR H . . 4.670 3.871 3.716 4.295 . 0 0 "[ . 1 . 2]" 1
254 1 39 PHE QD 1 52 MET HB3 . . 3.480 2.975 2.749 3.202 . 0 0 "[ . 1 . 2]" 1
255 1 39 PHE QD 1 54 PRO HA . . 2.850 2.665 2.452 2.838 . 0 0 "[ . 1 . 2]" 1
256 1 39 PHE QD 1 54 PRO HD3 . . 3.100 3.080 2.953 3.124 0.024 18 0 "[ . 1 . 2]" 1
257 1 39 PHE QD 1 54 PRO QG . . 5.350 4.412 4.163 4.547 . 0 0 "[ . 1 . 2]" 1
258 1 39 PHE QE 1 54 PRO HA . . 3.390 3.347 3.201 3.442 0.052 10 0 "[ . 1 . 2]" 1
259 1 39 PHE QE 1 54 PRO HD3 . . 3.690 3.159 2.891 3.573 . 0 0 "[ . 1 . 2]" 1
260 1 39 PHE QE 1 54 PRO QG . . 5.350 3.708 3.492 4.017 . 0 0 "[ . 1 . 2]" 1
261 1 40 TYR H 1 40 TYR HB2 . . 3.160 2.258 2.179 2.378 . 0 0 "[ . 1 . 2]" 1
262 1 40 TYR H 1 40 TYR QD . . 4.580 3.444 3.165 3.810 . 0 0 "[ . 1 . 2]" 1
263 1 40 TYR H 1 41 VAL QG . . 5.440 4.884 4.788 5.015 . 0 0 "[ . 1 . 2]" 1
264 1 40 TYR H 1 52 MET HA . . 5.500 4.363 3.770 4.860 . 0 0 "[ . 1 . 2]" 1
265 1 40 TYR H 1 55 ILE MG . . 4.320 3.430 2.735 3.680 . 0 0 "[ . 1 . 2]" 1
266 1 40 TYR HA 1 40 TYR HB3 . . 2.850 2.732 2.702 2.767 . 0 0 "[ . 1 . 2]" 1
267 1 40 TYR HA 1 40 TYR QD . . 3.140 2.682 2.367 2.971 . 0 0 "[ . 1 . 2]" 1
268 1 40 TYR HA 1 41 VAL H . . 3.400 2.164 2.114 2.206 . 0 0 "[ . 1 . 2]" 1
269 1 40 TYR HA 1 41 VAL QG . . 3.770 3.625 3.552 3.677 . 0 0 "[ . 1 . 2]" 1
270 1 40 TYR HB2 1 53 ILE HB . . 4.920 2.232 2.079 2.449 . 0 0 "[ . 1 . 2]" 1
271 1 40 TYR HB3 1 41 VAL H . . 3.570 3.500 3.320 3.589 0.019 3 0 "[ . 1 . 2]" 1
272 1 40 TYR HB3 1 42 LEU MD1 . . 5.200 4.685 4.517 4.916 . 0 0 "[ . 1 . 2]" 1
273 1 40 TYR HB3 1 53 ILE HB . . 3.760 3.136 2.760 3.351 . 0 0 "[ . 1 . 2]" 1
274 1 40 TYR HB3 1 53 ILE MG . . 4.360 4.191 3.497 4.408 0.048 4 0 "[ . 1 . 2]" 1
275 1 40 TYR QD 1 42 LEU MD2 . . 5.500 5.529 5.445 5.577 0.077 8 0 "[ . 1 . 2]" 1
276 1 40 TYR QD 1 53 ILE MG . . 3.590 3.495 3.098 3.647 0.057 6 0 "[ . 1 . 2]" 1
277 1 40 TYR QD 1 55 ILE HA . . 4.100 3.455 3.179 3.745 . 0 0 "[ . 1 . 2]" 1
278 1 40 TYR QD 1 55 ILE MG . . 2.800 2.423 2.254 2.720 . 0 0 "[ . 1 . 2]" 1
279 1 40 TYR QD 1 58 VAL QG . . 2.990 2.462 2.134 2.765 . 0 0 "[ . 1 . 2]" 1
280 1 40 TYR QD 1 61 VAL QG . . 5.440 4.982 4.331 5.461 0.021 10 0 "[ . 1 . 2]" 1
281 1 40 TYR QE 1 55 ILE HA . . 4.480 4.252 3.881 4.520 0.040 20 0 "[ . 1 . 2]" 1
282 1 40 TYR QE 1 55 ILE MG . . 2.800 2.730 2.401 2.829 0.029 11 0 "[ . 1 . 2]" 1
283 1 40 TYR QE 1 58 VAL QG . . 2.800 2.624 2.314 2.939 0.139 20 0 "[ . 1 . 2]" 1
284 1 41 VAL H 1 41 VAL QG . . 3.440 2.354 2.198 2.459 . 0 0 "[ . 1 . 2]" 1
285 1 41 VAL HA 1 41 VAL MG1 . . 2.800 2.320 2.224 2.397 . 0 0 "[ . 1 . 2]" 1
286 1 41 VAL HA 1 41 VAL MG2 . . 2.800 2.473 2.402 2.539 . 0 0 "[ . 1 . 2]" 1
287 1 41 VAL HA 1 52 MET HA . . 3.550 3.347 3.001 3.573 0.023 3 0 "[ . 1 . 2]" 1
288 1 41 VAL HA 1 53 ILE H . . 4.940 4.497 4.311 4.843 . 0 0 "[ . 1 . 2]" 1
289 1 41 VAL QG 1 42 LEU H . . 3.390 3.227 3.156 3.267 . 0 0 "[ . 1 . 2]" 1
290 1 41 VAL QG 1 50 ARG QB . . 3.870 3.469 2.959 3.847 . 0 0 "[ . 1 . 2]" 1
291 1 41 VAL QG 1 50 ARG QG . . 5.440 4.147 2.215 5.291 . 0 0 "[ . 1 . 2]" 1
292 1 41 VAL QG 1 51 ILE H . . 4.940 4.484 4.174 4.766 . 0 0 "[ . 1 . 2]" 1
293 1 41 VAL QG 1 52 MET HB3 . . 5.440 4.767 4.378 5.179 . 0 0 "[ . 1 . 2]" 1
294 1 41 VAL QG 1 52 MET ME . . 5.440 3.877 2.082 5.164 . 0 0 "[ . 1 . 2]" 1
295 1 41 VAL QG 1 52 MET QG . . 4.840 3.614 3.184 4.686 . 0 0 "[ . 1 . 2]" 1
296 1 41 VAL MG1 1 42 LEU H . . 4.370 3.331 3.249 3.379 . 0 0 "[ . 1 . 2]" 1
297 1 41 VAL MG2 1 42 LEU H . . 4.370 4.320 4.269 4.390 0.020 12 0 "[ . 1 . 2]" 1
298 1 42 LEU H 1 52 MET HA . . 5.500 3.510 3.162 3.888 . 0 0 "[ . 1 . 2]" 1
299 1 42 LEU HA 1 42 LEU HB2 . . 2.800 2.494 2.466 2.529 . 0 0 "[ . 1 . 2]" 1
300 1 42 LEU HA 1 42 LEU MD1 . . 2.800 2.100 2.051 2.125 . 0 0 "[ . 1 . 2]" 1
301 1 42 LEU HA 1 42 LEU MD2 . . 3.830 3.809 3.770 3.830 . 0 0 "[ . 1 . 2]" 1
302 1 42 LEU HA 1 42 LEU HG . . 3.480 3.168 3.124 3.224 . 0 0 "[ . 1 . 2]" 1
303 1 42 LEU HB2 1 42 LEU MD1 . . 3.070 2.395 2.365 2.432 . 0 0 "[ . 1 . 2]" 1
304 1 42 LEU HB2 1 42 LEU MD2 . . 3.520 2.341 2.279 2.381 . 0 0 "[ . 1 . 2]" 1
305 1 42 LEU HB2 1 51 ILE HB . . 5.500 4.957 4.551 5.218 . 0 0 "[ . 1 . 2]" 1
306 1 42 LEU HB2 1 51 ILE MG . . 5.500 5.212 4.840 5.383 . 0 0 "[ . 1 . 2]" 1
307 1 42 LEU HB2 1 53 ILE MD . . 5.500 3.218 2.192 5.360 . 0 0 "[ . 1 . 2]" 1
308 1 42 LEU HB3 1 42 LEU MD2 . . 3.570 2.407 2.355 2.453 . 0 0 "[ . 1 . 2]" 1
309 1 42 LEU HB3 1 42 LEU HG . . 2.800 2.463 2.440 2.480 . 0 0 "[ . 1 . 2]" 1
310 1 42 LEU HB3 1 51 ILE HA . . 5.500 5.407 5.111 5.522 0.022 4 0 "[ . 1 . 2]" 1
311 1 42 LEU MD1 1 43 ARG QB . . 5.340 4.194 3.970 4.436 . 0 0 "[ . 1 . 2]" 1
312 1 42 LEU MD1 1 43 ARG QG . . 5.340 5.329 5.000 5.410 0.070 5 0 "[ . 1 . 2]" 1
313 1 42 LEU MD2 1 44 ILE MD . . 5.500 2.776 2.435 3.096 . 0 0 "[ . 1 . 2]" 1
314 1 42 LEU MD2 1 44 ILE HG12 . . 5.500 4.863 4.460 5.358 . 0 0 "[ . 1 . 2]" 1
315 1 42 LEU MD2 1 51 ILE HB . . 5.500 3.837 3.291 4.289 . 0 0 "[ . 1 . 2]" 1
316 1 42 LEU MD2 1 51 ILE MD . . 5.500 4.296 3.688 4.773 . 0 0 "[ . 1 . 2]" 1
317 1 42 LEU MD2 1 53 ILE QG . . 5.340 3.618 2.534 4.438 . 0 0 "[ . 1 . 2]" 1
318 1 42 LEU HG 1 51 ILE MG . . 5.500 5.335 5.140 5.508 0.008 15 0 "[ . 1 . 2]" 1
319 1 43 ARG HA 1 43 ARG HG2 . . 3.740 2.837 2.180 3.465 . 0 0 "[ . 1 . 2]" 1
320 1 43 ARG HA 1 43 ARG QG . . 2.880 2.326 2.142 2.514 . 0 0 "[ . 1 . 2]" 1
321 1 43 ARG HA 1 43 ARG HG3 . . 3.740 2.719 2.244 3.655 . 0 0 "[ . 1 . 2]" 1
322 1 43 ARG HA 1 44 ILE H . . 3.150 2.065 2.006 2.127 . 0 0 "[ . 1 . 2]" 1
323 1 43 ARG QB 1 43 ARG QD . . 2.800 2.179 2.056 2.387 . 0 0 "[ . 1 . 2]" 1
324 1 43 ARG HB2 1 43 ARG HD2 . . 3.970 2.925 2.225 3.720 . 0 0 "[ . 1 . 2]" 1
325 1 43 ARG HB2 1 43 ARG HD3 . . 3.970 3.284 2.230 3.979 0.009 7 0 "[ . 1 . 2]" 1
326 1 43 ARG HB3 1 43 ARG HD2 . . 3.970 2.916 2.154 3.981 0.011 11 0 "[ . 1 . 2]" 1
327 1 43 ARG HB3 1 43 ARG HD3 . . 3.970 2.958 2.305 3.854 . 0 0 "[ . 1 . 2]" 1
328 1 43 ARG HD2 1 43 ARG HG2 . . 3.000 2.860 2.394 3.039 0.039 19 0 "[ . 1 . 2]" 1
329 1 43 ARG HD2 1 43 ARG HG3 . . 3.000 2.620 2.212 3.036 0.036 1 0 "[ . 1 . 2]" 1
330 1 43 ARG HD3 1 43 ARG HG2 . . 3.000 2.502 2.211 3.025 0.025 17 0 "[ . 1 . 2]" 1
331 1 43 ARG HD3 1 43 ARG HG3 . . 3.000 2.863 2.428 3.025 0.025 19 0 "[ . 1 . 2]" 1
332 1 44 ILE H 1 44 ILE HG12 . . 4.880 2.256 2.110 2.440 . 0 0 "[ . 1 . 2]" 1
333 1 44 ILE HA 1 44 ILE MD . . 2.800 2.222 2.159 2.293 . 0 0 "[ . 1 . 2]" 1
334 1 44 ILE HB 1 44 ILE MD . . 3.390 3.282 3.250 3.296 . 0 0 "[ . 1 . 2]" 1
335 1 44 ILE HB 1 44 ILE HG12 . . 2.800 2.390 2.351 2.449 . 0 0 "[ . 1 . 2]" 1
336 1 44 ILE HB 1 44 ILE HG13 . . 2.800 2.443 2.396 2.506 . 0 0 "[ . 1 . 2]" 1
337 1 44 ILE MD 1 44 ILE MG . . 3.470 2.210 2.145 2.319 . 0 0 "[ . 1 . 2]" 1
338 1 44 ILE MD 1 51 ILE MD . . 5.500 2.331 2.117 2.619 . 0 0 "[ . 1 . 2]" 1
339 1 44 ILE HG13 1 51 ILE HG12 . . 5.500 4.137 3.790 4.607 . 0 0 "[ . 1 . 2]" 1
340 1 44 ILE MG 1 46 GLU H . . 4.050 2.218 1.928 2.557 . 0 0 "[ . 1 . 2]" 1
341 1 44 ILE MG 1 46 GLU HA . . 4.660 4.147 4.011 4.321 . 0 0 "[ . 1 . 2]" 1
342 1 44 ILE MG 1 46 GLU HB2 . . 5.500 2.481 2.269 2.837 . 0 0 "[ . 1 . 2]" 1
343 1 44 ILE MG 1 46 GLU HB3 . . 5.500 2.246 2.074 2.663 . 0 0 "[ . 1 . 2]" 1
344 1 44 ILE MG 1 46 GLU QG . . 5.500 3.689 3.424 3.966 . 0 0 "[ . 1 . 2]" 1
345 1 44 ILE MG 1 47 ASN H . . 3.240 2.756 2.268 3.215 . 0 0 "[ . 1 . 2]" 1
346 1 44 ILE MG 1 49 MET QB . . 5.500 3.543 2.504 4.709 . 0 0 "[ . 1 . 2]" 1
347 1 44 ILE MG 1 49 MET ME . . 3.910 3.392 2.226 3.950 0.040 11 0 "[ . 1 . 2]" 1
348 1 44 ILE MG 1 51 ILE HB . . 5.500 5.433 5.333 5.524 0.024 4 0 "[ . 1 . 2]" 1
349 1 45 LEU H 1 45 LEU QD . . 3.930 2.776 2.120 3.703 . 0 0 "[ . 1 . 2]" 1
350 1 45 LEU HA 1 45 LEU QD . . 2.800 2.548 2.130 2.856 0.056 13 0 "[ . 1 . 2]" 1
351 1 45 LEU HA 1 45 LEU HG . . 2.850 2.513 2.175 2.804 . 0 0 "[ . 1 . 2]" 1
352 1 45 LEU QB 1 45 LEU QD . . 2.800 1.928 1.898 1.955 . 0 0 "[ . 1 . 2]" 1
353 1 45 LEU QB 1 46 GLU H . . 4.070 3.087 2.900 3.234 . 0 0 "[ . 1 . 2]" 1
354 1 45 LEU QD 1 48 GLY QA . . 5.280 4.517 3.933 5.124 . 0 0 "[ . 1 . 2]" 1
355 1 45 LEU MD1 1 46 GLU H . . 5.500 4.727 4.323 5.164 . 0 0 "[ . 1 . 2]" 1
356 1 45 LEU MD2 1 46 GLU H . . 5.500 4.961 4.003 5.263 . 0 0 "[ . 1 . 2]" 1
357 1 46 GLU H 1 46 GLU HB2 . . 3.540 2.227 2.041 2.400 . 0 0 "[ . 1 . 2]" 1
358 1 46 GLU H 1 46 GLU QB . . 3.010 2.134 2.014 2.234 . 0 0 "[ . 1 . 2]" 1
359 1 46 GLU H 1 46 GLU HB3 . . 3.540 2.763 2.611 3.075 . 0 0 "[ . 1 . 2]" 1
360 1 46 GLU H 1 46 GLU QG . . 4.770 3.875 3.583 4.046 . 0 0 "[ . 1 . 2]" 1
361 1 46 GLU H 1 47 ASN H . . 4.270 2.959 2.809 3.132 . 0 0 "[ . 1 . 2]" 1
362 1 46 GLU HA 1 46 GLU QG . . 2.800 2.378 2.204 2.709 . 0 0 "[ . 1 . 2]" 1
363 1 47 ASN H 1 48 GLY H . . 3.730 2.132 1.895 2.344 . 0 0 "[ . 1 . 2]" 1
364 1 47 ASN HA 1 47 ASN HB2 . . 2.750 2.703 2.397 2.863 0.113 12 0 "[ . 1 . 2]" 1
365 1 47 ASN HA 1 47 ASN HB3 . . 2.750 2.704 2.382 2.869 0.119 3 0 "[ . 1 . 2]" 1
366 1 47 ASN QB 1 47 ASN QD . . 2.800 2.208 2.131 2.388 . 0 0 "[ . 1 . 2]" 1
367 1 47 ASN QD 1 49 MET ME . . 4.100 3.254 2.015 4.109 0.009 2 0 "[ . 1 . 2]" 1
368 1 47 ASN QD 1 49 MET QG . . 5.180 3.787 2.059 5.185 0.005 12 0 "[ . 1 . 2]" 1
369 1 48 GLY H 1 49 MET H . . 3.910 2.494 2.406 2.576 . 0 0 "[ . 1 . 2]" 1
370 1 49 MET H 1 49 MET ME . . 5.500 3.820 3.076 4.835 . 0 0 "[ . 1 . 2]" 1
371 1 49 MET HA 1 49 MET HG2 . . 3.080 2.527 2.240 2.932 . 0 0 "[ . 1 . 2]" 1
372 1 49 MET HA 1 49 MET QG . . 2.800 2.313 2.152 2.554 . 0 0 "[ . 1 . 2]" 1
373 1 49 MET HA 1 49 MET HG3 . . 3.080 2.849 2.214 3.146 0.066 17 0 "[ . 1 . 2]" 1
374 1 49 MET QB 1 51 ILE HA . . 5.500 5.463 5.075 5.588 0.088 5 0 "[ . 1 . 2]" 1
375 1 49 MET ME 1 51 ILE MD . . 4.270 3.314 2.145 4.033 . 0 0 "[ . 1 . 2]" 1
376 1 49 MET ME 1 51 ILE HG12 . . 5.320 4.476 2.577 5.323 0.003 14 0 "[ . 1 . 2]" 1
377 1 50 ARG H 1 50 ARG HB2 . . 3.900 3.217 2.338 3.911 0.011 8 0 "[ . 1 . 2]" 1
378 1 50 ARG H 1 50 ARG HB3 . . 3.900 3.439 2.642 3.886 . 0 0 "[ . 1 . 2]" 1
379 1 50 ARG QB 1 52 MET ME . . 5.340 4.110 2.125 5.138 . 0 0 "[ . 1 . 2]" 1
380 1 50 ARG QB 1 52 MET QG . . 5.180 4.362 4.049 4.784 . 0 0 "[ . 1 . 2]" 1
381 1 51 ILE H 1 51 ILE HB . . 3.430 2.771 2.590 2.856 . 0 0 "[ . 1 . 2]" 1
382 1 51 ILE H 1 51 ILE HG12 . . 4.930 4.042 3.886 4.171 . 0 0 "[ . 1 . 2]" 1
383 1 51 ILE HB 1 51 ILE MD . . 2.800 2.471 2.402 2.543 . 0 0 "[ . 1 . 2]" 1
384 1 51 ILE MD 1 51 ILE MG . . 3.390 2.079 2.056 2.096 . 0 0 "[ . 1 . 2]" 1
385 1 51 ILE MG 1 53 ILE MD . . 5.500 2.760 2.258 3.637 . 0 0 "[ . 1 . 2]" 1
386 1 51 ILE MG 1 53 ILE HG12 . . 5.500 3.622 2.855 4.355 . 0 0 "[ . 1 . 2]" 1
387 1 51 ILE MG 1 53 ILE HG13 . . 5.500 3.114 2.561 4.268 . 0 0 "[ . 1 . 2]" 1
388 1 52 MET HA 1 52 MET HB3 . . 2.800 2.416 2.342 2.540 . 0 0 "[ . 1 . 2]" 1
389 1 52 MET HA 1 53 ILE H . . 3.530 2.221 2.184 2.257 . 0 0 "[ . 1 . 2]" 1
390 1 53 ILE HA 1 54 PRO HD2 . . 3.710 2.134 2.052 2.188 . 0 0 "[ . 1 . 2]" 1
391 1 53 ILE HB 1 54 PRO HD2 . . 5.500 4.539 4.421 4.807 . 0 0 "[ . 1 . 2]" 1
392 1 53 ILE MG 1 54 PRO HD2 . . 4.370 2.558 2.308 3.196 . 0 0 "[ . 1 . 2]" 1
393 1 53 ILE MG 1 55 ILE HA . . 3.670 3.749 3.684 3.816 0.146 3 0 "[ . 1 . 2]" 1
394 1 54 PRO HA 1 55 ILE H . . 3.550 2.207 2.162 2.259 . 0 0 "[ . 1 . 2]" 1
395 1 54 PRO QB 1 57 LYS QD . . 5.340 4.363 3.154 5.388 0.048 9 0 "[ . 1 . 2]" 1
396 1 54 PRO QB 1 57 LYS QG . . 5.340 4.142 2.439 5.133 . 0 0 "[ . 1 . 2]" 1
397 1 54 PRO QG 1 57 LYS QG . . 5.350 3.176 2.057 4.144 . 0 0 "[ . 1 . 2]" 1
398 1 55 ILE H 1 55 ILE HB . . 3.660 3.679 3.663 3.697 0.037 13 0 "[ . 1 . 2]" 1
399 1 55 ILE H 1 55 ILE QG . . 3.310 2.441 2.370 2.503 . 0 0 "[ . 1 . 2]" 1
400 1 55 ILE H 1 55 ILE MG . . 3.360 2.251 2.155 2.364 . 0 0 "[ . 1 . 2]" 1
401 1 55 ILE HA 1 55 ILE HB . . 2.800 2.401 2.340 2.434 . 0 0 "[ . 1 . 2]" 1
402 1 55 ILE HA 1 55 ILE MG . . 2.800 2.383 2.294 2.480 . 0 0 "[ . 1 . 2]" 1
403 1 55 ILE HA 1 58 VAL QG . . 2.800 2.167 1.918 2.651 . 0 0 "[ . 1 . 2]" 1
404 1 55 ILE HB 1 55 ILE MD . . 3.130 2.303 2.191 2.449 . 0 0 "[ . 1 . 2]" 1
405 1 55 ILE MD 1 58 VAL MG1 . . 5.500 5.286 3.886 5.541 0.041 19 0 "[ . 1 . 2]" 1
406 1 55 ILE MD 1 58 VAL MG2 . . 5.500 4.934 4.010 5.429 . 0 0 "[ . 1 . 2]" 1
407 1 55 ILE QG 1 58 VAL QG . . 4.760 4.346 4.027 4.590 . 0 0 "[ . 1 . 2]" 1
408 1 55 ILE MG 1 58 VAL QG . . 5.440 2.988 2.834 3.046 . 0 0 "[ . 1 . 2]" 1
409 1 58 VAL H 1 58 VAL QG . . 4.070 2.100 1.958 2.396 . 0 0 "[ . 1 . 2]" 1
410 1 58 VAL HA 1 58 VAL QG . . 2.800 2.197 2.124 2.279 . 0 0 "[ . 1 . 2]" 1
411 1 58 VAL HA 1 61 VAL QG . . 5.500 5.620 5.387 5.811 0.311 1 0 "[ . 1 . 2]" 1
412 1 58 VAL QG 1 61 VAL QG . . 5.380 3.558 3.368 3.896 . 0 0 "[ . 1 . 2]" 1
413 1 58 VAL QG 1 63 LEU MD1 . . 5.440 4.312 3.567 5.610 0.170 14 0 "[ . 1 . 2]" 1
414 1 58 VAL QG 1 63 LEU MD2 . . 5.440 4.818 3.585 5.631 0.191 18 0 "[ . 1 . 2]" 1
415 1 61 VAL H 1 61 VAL QG . . 3.870 2.320 2.179 2.553 . 0 0 "[ . 1 . 2]" 1
416 1 61 VAL HA 1 61 VAL HB . . 2.850 2.487 2.386 2.688 . 0 0 "[ . 1 . 2]" 1
417 1 61 VAL HA 1 61 VAL QG . . 2.850 2.244 2.135 2.337 . 0 0 "[ . 1 . 2]" 1
418 1 61 VAL QG 1 63 LEU MD2 . . 4.780 3.588 2.250 4.556 . 0 0 "[ . 1 . 2]" 1
419 1 63 LEU HA 1 63 LEU HB2 . . 3.000 3.031 3.009 3.053 0.053 3 0 "[ . 1 . 2]" 1
420 1 63 LEU HA 1 63 LEU HB3 . . 2.800 2.573 2.377 2.733 . 0 0 "[ . 1 . 2]" 1
421 1 63 LEU HA 1 63 LEU MD1 . . 2.800 2.552 2.083 2.878 0.078 7 0 "[ . 1 . 2]" 1
422 1 63 LEU HA 1 63 LEU MD2 . . 3.680 3.470 2.456 3.741 0.061 9 0 "[ . 1 . 2]" 1
423 1 63 LEU HA 1 63 LEU HG . . 3.870 2.928 2.308 3.790 . 0 0 "[ . 1 . 2]" 1
424 1 64 ARG HA 1 64 ARG QG . . 3.430 2.632 2.196 3.401 . 0 0 "[ . 1 . 2]" 1
425 1 64 ARG QB 1 64 ARG QD . . 2.800 2.159 2.073 2.308 . 0 0 "[ . 1 . 2]" 1
426 1 64 ARG HB2 1 64 ARG QD . . 2.800 2.450 2.253 2.810 0.010 13 0 "[ . 1 . 2]" 1
427 1 64 ARG HB3 1 64 ARG QD . . 2.800 2.453 2.235 2.863 0.063 4 0 "[ . 1 . 2]" 1
428 1 65 GLU H 1 65 GLU QB . . 3.630 2.311 2.089 2.569 . 0 0 "[ . 1 . 2]" 1
429 1 65 GLU HA 1 65 GLU QG . . 2.800 2.347 2.179 2.557 . 0 0 "[ . 1 . 2]" 1
430 1 66 ILE H 1 66 ILE HG12 . . 2.800 2.373 2.039 2.596 . 0 0 "[ . 1 . 2]" 1
431 1 66 ILE H 1 66 ILE HG13 . . 3.880 3.495 2.597 3.899 0.019 2 0 "[ . 1 . 2]" 1
432 1 66 ILE H 1 66 ILE MG . . 3.100 2.600 2.085 2.985 . 0 0 "[ . 1 . 2]" 1
433 1 66 ILE HA 1 66 ILE HG12 . . 3.760 3.727 3.645 3.875 0.115 18 0 "[ . 1 . 2]" 1
434 1 66 ILE HA 1 66 ILE HG13 . . 3.860 3.728 3.614 3.803 . 0 0 "[ . 1 . 2]" 1
435 1 66 ILE HA 1 66 ILE MG . . 2.800 2.415 2.225 2.546 . 0 0 "[ . 1 . 2]" 1
436 1 66 ILE HA 1 67 ILE H . . 3.150 2.864 2.486 3.307 0.157 4 0 "[ . 1 . 2]" 1
437 1 66 ILE HB 1 66 ILE HG13 . . 2.990 2.416 2.313 2.668 . 0 0 "[ . 1 . 2]" 1
438 1 66 ILE HB 1 67 ILE H . . 5.500 2.666 1.942 4.110 . 0 0 "[ . 1 . 2]" 1
439 1 66 ILE MD 1 68 SER H . . 5.500 3.981 3.231 5.651 0.151 18 0 "[ . 1 . 2]" 1
440 1 66 ILE HG12 1 66 ILE MG . . 3.090 2.569 2.265 2.740 . 0 0 "[ . 1 . 2]" 1
441 1 66 ILE HG12 1 67 ILE H . . 3.450 3.519 3.179 3.640 0.190 15 0 "[ . 1 . 2]" 1
442 1 66 ILE HG13 1 67 ILE H . . 2.800 2.523 2.321 2.909 0.109 1 0 "[ . 1 . 2]" 1
443 1 66 ILE MG 1 67 ILE H . . 4.820 3.822 3.612 4.202 . 0 0 "[ . 1 . 2]" 1
444 1 66 ILE MG 1 68 SER H . . 5.500 4.724 4.252 5.663 0.163 1 0 "[ . 1 . 2]" 1
445 1 66 ILE MG 1 68 SER QB . . 5.500 4.925 4.251 5.560 0.060 19 0 "[ . 1 . 2]" 1
446 1 67 ILE HA 1 67 ILE HB . . 2.800 2.504 2.428 2.979 0.179 1 0 "[ . 1 . 2]" 1
447 1 67 ILE HA 1 67 ILE MD . . 2.800 2.190 2.105 2.869 0.069 1 0 "[ . 1 . 2]" 1
448 1 67 ILE HA 1 67 ILE HG12 . . 3.760 3.729 3.631 3.766 0.006 2 0 "[ . 1 . 2]" 1
449 1 67 ILE HA 1 67 ILE HG13 . . 3.000 3.001 2.431 3.098 0.098 6 0 "[ . 1 . 2]" 1
450 1 67 ILE HA 1 67 ILE MG . . 3.680 3.215 2.320 3.282 . 0 0 "[ . 1 . 2]" 1
451 1 67 ILE HA 1 69 GLU QB . . 5.340 4.883 4.128 5.344 0.004 17 0 "[ . 1 . 2]" 1
452 1 67 ILE HB 1 68 SER H . . 5.500 4.140 3.992 4.431 . 0 0 "[ . 1 . 2]" 1
453 1 67 ILE MD 1 68 SER H . . 5.500 4.736 4.516 5.165 . 0 0 "[ . 1 . 2]" 1
454 1 67 ILE MD 1 69 GLU QB . . 5.340 4.759 4.204 5.378 0.038 1 0 "[ . 1 . 2]" 1
455 1 67 ILE HG12 1 67 ILE MG . . 2.800 2.287 2.183 2.346 . 0 0 "[ . 1 . 2]" 1
456 1 67 ILE HG13 1 67 ILE MG . . 2.800 2.444 2.356 2.799 . 0 0 "[ . 1 . 2]" 1
457 1 67 ILE MG 1 68 SER H . . 3.110 2.552 2.211 3.247 0.137 1 0 "[ . 1 . 2]" 1
458 1 67 ILE MG 1 68 SER QB . . 5.500 3.666 3.042 4.588 . 0 0 "[ . 1 . 2]" 1
459 1 68 SER H 1 68 SER QB . . 3.050 2.361 2.048 2.894 . 0 0 "[ . 1 . 2]" 1
460 1 69 GLU H 1 69 GLU QB . . 3.470 2.571 2.056 3.165 . 0 0 "[ . 1 . 2]" 1
461 1 69 GLU H 1 69 GLU QG . . 3.860 3.259 2.277 3.934 0.074 1 0 "[ . 1 . 2]" 1
462 1 69 GLU HA 1 69 GLU QG . . 3.520 2.555 2.069 3.408 . 0 0 "[ . 1 . 2]" 1
463 1 69 GLU HA 1 70 GLU H . . 2.800 2.297 2.092 2.572 . 0 0 "[ . 1 . 2]" 1
464 1 69 GLU QG 1 70 GLU H . . 5.500 3.766 2.323 4.519 . 0 0 "[ . 1 . 2]" 1
465 1 70 GLU H 1 70 GLU QG . . 3.850 3.164 2.205 3.832 . 0 0 "[ . 1 . 2]" 1
466 1 70 GLU HA 1 70 GLU QG . . 2.800 2.314 2.086 2.829 0.029 8 0 "[ . 1 . 2]" 1
467 1 70 GLU HB2 1 71 ASP H . . 2.910 2.575 2.188 2.973 0.063 2 0 "[ . 1 . 2]" 1
468 1 70 GLU HB3 1 71 ASP H . . 2.770 2.583 1.956 2.841 0.071 13 0 "[ . 1 . 2]" 1
469 1 70 GLU QG 1 71 ASP H . . 4.160 4.138 3.953 4.228 0.068 19 0 "[ . 1 . 2]" 1
470 1 71 ASP H 1 71 ASP HB2 . . 3.750 2.765 2.128 3.783 0.033 13 0 "[ . 1 . 2]" 1
471 1 71 ASP H 1 71 ASP QB . . 2.940 2.551 2.105 2.903 . 0 0 "[ . 1 . 2]" 1
472 1 71 ASP H 1 71 ASP HB3 . . 3.750 3.220 2.516 3.765 0.015 9 0 "[ . 1 . 2]" 1
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