NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403000 |
1wi9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi9
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 797
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 8.699
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0046
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.008 0.002 15 0 "[ . 1 . 2]"
1 9 LEU 0.010 0.009 17 0 "[ . 1 . 2]"
1 10 THR 0.011 0.009 17 0 "[ . 1 . 2]"
1 11 GLU 0.065 0.065 17 0 "[ . 1 . 2]"
1 12 PHE 0.006 0.002 15 0 "[ . 1 . 2]"
1 13 ILE 0.042 0.034 20 0 "[ . 1 . 2]"
1 14 ASN 0.032 0.014 11 0 "[ . 1 . 2]"
1 15 TYR 0.032 0.012 12 0 "[ . 1 . 2]"
1 16 ILE 0.008 0.005 20 0 "[ . 1 . 2]"
1 17 LYS 0.038 0.034 20 0 "[ . 1 . 2]"
1 18 LYS 0.033 0.014 11 0 "[ . 1 . 2]"
1 19 SER 0.060 0.052 18 0 "[ . 1 . 2]"
1 20 LYS 0.145 0.052 18 0 "[ . 1 . 2]"
1 21 VAL 0.003 0.002 17 0 "[ . 1 . 2]"
1 22 VAL 0.004 0.002 12 0 "[ . 1 . 2]"
1 23 LEU 0.005 0.004 12 0 "[ . 1 . 2]"
1 24 LEU 0.003 0.002 4 0 "[ . 1 . 2]"
1 25 GLU 0.003 0.001 18 0 "[ . 1 . 2]"
1 26 ASP 0.004 0.004 12 0 "[ . 1 . 2]"
1 27 LEU 0.003 0.001 12 0 "[ . 1 . 2]"
1 28 ALA 0.002 0.002 15 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 20 0 "[ . 1 . 2]"
1 30 GLN 0.001 0.000 15 0 "[ . 1 . 2]"
1 31 MET 0.000 0.000 15 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.003 0.002 15 0 "[ . 1 . 2]"
1 34 ARG 0.013 0.012 11 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 9 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.001 0.000 15 0 "[ . 1 . 2]"
1 38 ALA 0.007 0.002 15 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.001 0.001 15 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.008 0.008 15 0 "[ . 1 . 2]"
1 43 GLN 0.036 0.035 15 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.049 0.035 15 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 13 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.008 0.003 17 0 "[ . 1 . 2]"
1 51 LEU 0.008 0.002 17 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.001 0.001 4 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.003 0.002 4 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 15 0 "[ . 1 . 2]"
1 62 ILE 0.004 0.002 17 0 "[ . 1 . 2]"
1 63 TYR 0.009 0.003 15 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.002 0.002 16 0 "[ . 1 . 2]"
1 66 PRO 0.002 0.002 16 0 "[ . 1 . 2]"
1 67 SER 0.002 0.001 15 0 "[ . 1 . 2]"
1 68 GLY 0.002 0.001 15 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 6 SER HA 1 8 PHE H . . 4.610 4.102 3.711 4.512 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 PHE H . . 3.810 2.695 1.974 3.333 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 PHE H . . 3.180 2.656 2.493 2.745 . 0 0 "[ . 1 . 2]" 1
4 1 8 PHE H 1 8 PHE HB2 . . 3.230 2.808 2.632 2.992 . 0 0 "[ . 1 . 2]" 1
5 1 8 PHE H 1 8 PHE HB3 . . 3.230 2.291 2.194 2.433 . 0 0 "[ . 1 . 2]" 1
6 1 8 PHE H 1 8 PHE QD . . 4.180 4.076 3.902 4.178 . 0 0 "[ . 1 . 2]" 1
7 1 8 PHE H 1 9 LEU H . . 3.510 2.665 2.490 2.831 . 0 0 "[ . 1 . 2]" 1
8 1 8 PHE H 1 9 LEU HG . . 5.240 4.657 3.995 5.185 . 0 0 "[ . 1 . 2]" 1
9 1 8 PHE H 1 10 THR H . . 4.450 4.309 4.148 4.416 . 0 0 "[ . 1 . 2]" 1
10 1 8 PHE HA 1 8 PHE QD . . 3.610 2.755 2.374 3.254 . 0 0 "[ . 1 . 2]" 1
11 1 8 PHE HA 1 9 LEU HA . . 4.880 4.768 4.746 4.791 . 0 0 "[ . 1 . 2]" 1
12 1 8 PHE HA 1 10 THR H . . 4.950 4.629 4.474 4.692 . 0 0 "[ . 1 . 2]" 1
13 1 8 PHE HA 1 11 GLU H . . 4.350 3.697 3.594 3.769 . 0 0 "[ . 1 . 2]" 1
14 1 8 PHE HA 1 11 GLU QB . . 3.840 2.809 2.642 3.829 . 0 0 "[ . 1 . 2]" 1
15 1 8 PHE QB 1 9 LEU H . . 3.330 2.769 2.580 2.903 . 0 0 "[ . 1 . 2]" 1
16 1 8 PHE HB2 1 9 LEU H . . 4.180 4.087 3.967 4.180 . 0 0 "[ . 1 . 2]" 1
17 1 8 PHE HB3 1 9 LEU H . . 4.180 2.816 2.614 2.961 . 0 0 "[ . 1 . 2]" 1
18 1 8 PHE QD 1 9 LEU H . . 4.230 3.346 2.389 3.843 . 0 0 "[ . 1 . 2]" 1
19 1 8 PHE QD 1 9 LEU HA . . 4.120 3.628 2.687 4.116 . 0 0 "[ . 1 . 2]" 1
20 1 8 PHE QD 1 9 LEU QD . . 4.460 3.063 2.268 3.892 . 0 0 "[ . 1 . 2]" 1
21 1 8 PHE QD 1 9 LEU HG . . 4.380 3.085 2.297 4.379 . 0 0 "[ . 1 . 2]" 1
22 1 8 PHE QD 1 12 PHE QB . . 4.560 3.549 3.076 3.890 . 0 0 "[ . 1 . 2]" 1
23 1 8 PHE QD 1 31 MET ME . . 4.210 3.672 3.102 4.210 0.000 15 0 "[ . 1 . 2]" 1
24 1 8 PHE QE 1 33 LEU MD1 . . 3.920 2.379 1.872 2.860 . 0 0 "[ . 1 . 2]" 1
25 1 8 PHE QE 1 33 LEU MD2 . . 4.360 4.138 3.518 4.357 . 0 0 "[ . 1 . 2]" 1
26 1 8 PHE QE 1 38 ALA HA . . 5.190 5.182 5.147 5.192 0.002 15 0 "[ . 1 . 2]" 1
27 1 8 PHE HZ 1 33 LEU MD1 . . 3.890 2.216 1.856 2.941 . 0 0 "[ . 1 . 2]" 1
28 1 8 PHE HZ 1 33 LEU MD2 . . 4.580 4.273 3.762 4.581 0.001 8 0 "[ . 1 . 2]" 1
29 1 8 PHE HZ 1 38 ALA HA . . 4.630 4.442 4.196 4.631 0.001 12 0 "[ . 1 . 2]" 1
30 1 8 PHE HZ 1 41 ARG QG . . 4.390 3.460 2.514 4.130 . 0 0 "[ . 1 . 2]" 1
31 1 9 LEU H 1 9 LEU HB2 . . 3.660 2.565 2.257 3.592 . 0 0 "[ . 1 . 2]" 1
32 1 9 LEU H 1 9 LEU QB . . 2.980 2.413 2.233 2.605 . 0 0 "[ . 1 . 2]" 1
33 1 9 LEU H 1 9 LEU HB3 . . 3.660 3.466 2.467 3.595 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU H 1 9 LEU MD1 . . 4.390 3.085 1.812 3.781 . 0 0 "[ . 1 . 2]" 1
35 1 9 LEU H 1 9 LEU QD . . 3.850 2.802 1.808 3.322 . 0 0 "[ . 1 . 2]" 1
36 1 9 LEU H 1 9 LEU MD2 . . 4.390 3.671 3.046 3.981 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU H 1 9 LEU HG . . 3.980 2.538 1.946 2.922 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU H 1 10 THR H . . 3.390 2.652 2.591 2.709 . 0 0 "[ . 1 . 2]" 1
39 1 9 LEU HA 1 9 LEU MD1 . . 4.200 3.751 3.421 3.957 . 0 0 "[ . 1 . 2]" 1
40 1 9 LEU HA 1 9 LEU QD . . 3.430 2.577 1.972 3.361 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU HA 1 9 LEU MD2 . . 4.200 2.769 1.978 4.054 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU HA 1 9 LEU HG . . 4.100 2.895 2.529 3.688 . 0 0 "[ . 1 . 2]" 1
43 1 9 LEU HA 1 12 PHE HB2 . . 4.080 3.758 3.610 3.977 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU HA 1 12 PHE QB . . 3.430 2.529 2.445 2.644 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU HA 1 12 PHE HB3 . . 4.080 2.571 2.486 2.714 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU HA 1 13 ILE H . . 4.570 3.998 3.744 4.287 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU QB 1 9 LEU QD . . 2.800 1.838 1.742 1.937 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU QB 1 10 THR H . . 3.380 2.522 2.379 3.368 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU HB2 1 10 THR H . . 3.850 2.606 2.412 3.735 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU HB3 1 10 THR H . . 3.850 3.527 3.272 3.830 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU QD 1 10 THR H . . 4.590 3.630 2.326 4.040 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU HG 1 10 THR H . . 4.690 4.221 1.899 4.699 0.009 17 0 "[ . 1 . 2]" 1
53 1 10 THR H 1 10 THR HB . . 3.070 2.617 2.548 2.714 . 0 0 "[ . 1 . 2]" 1
54 1 10 THR H 1 10 THR MG . . 3.960 3.765 3.755 3.769 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR H 1 13 ILE H . . 5.230 4.771 4.670 4.878 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR H 1 13 ILE MD . . 5.310 4.334 4.098 4.888 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR HA 1 10 THR MG . . 3.170 2.333 2.224 2.444 . 0 0 "[ . 1 . 2]" 1
58 1 10 THR HA 1 13 ILE H . . 4.270 3.667 3.580 3.763 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR HA 1 13 ILE HB . . 3.710 3.099 2.922 3.356 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR HA 1 13 ILE MD . . 3.560 2.774 2.537 3.167 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HA 1 14 ASN H . . 4.650 4.100 3.920 4.347 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR HB 1 11 GLU H . . 3.450 2.488 2.475 2.519 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR HB 1 11 GLU QB . . 4.750 4.350 3.921 4.515 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR MG 1 11 GLU H . . 4.100 3.500 3.387 3.677 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR MG 1 11 GLU HA . . 4.340 3.602 3.426 3.862 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR MG 1 13 ILE H . . 5.060 4.857 4.706 5.029 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR MG 1 13 ILE MD . . 4.230 4.095 3.783 4.231 0.001 20 0 "[ . 1 . 2]" 1
68 1 10 THR MG 1 14 ASN HD21 . . 3.780 3.019 2.045 3.729 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 1 14 ASN QD . . 3.280 2.173 1.804 2.661 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR MG 1 14 ASN HD22 . . 3.780 2.248 1.867 2.734 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLU H 1 11 GLU QB . . 3.190 2.297 2.165 2.445 . 0 0 "[ . 1 . 2]" 1
72 1 11 GLU H 1 11 GLU HG2 . . 4.000 3.204 2.277 3.936 . 0 0 "[ . 1 . 2]" 1
73 1 11 GLU H 1 11 GLU HG3 . . 4.000 3.048 2.323 3.909 . 0 0 "[ . 1 . 2]" 1
74 1 11 GLU H 1 12 PHE H . . 3.720 2.584 2.565 2.633 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU H 1 13 ILE H . . 5.450 4.261 4.141 4.339 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU HA 1 11 GLU HG2 . . 3.870 2.617 2.220 3.834 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU HA 1 11 GLU QG . . 3.270 2.489 2.173 3.335 0.065 17 0 "[ . 1 . 2]" 1
78 1 11 GLU HA 1 11 GLU HG3 . . 3.870 3.277 2.703 3.764 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLU HA 1 14 ASN H . . 4.090 3.590 3.398 3.769 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU HA 1 14 ASN QB . . 3.460 2.667 2.400 2.856 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU HA 1 14 ASN HD21 . . 4.430 2.742 2.065 3.471 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLU HA 1 14 ASN QD . . 3.810 2.680 2.049 3.302 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLU HA 1 14 ASN HD22 . . 4.430 3.924 3.412 4.419 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLU QB 1 12 PHE H . . 3.930 2.758 2.599 3.415 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLU QB 1 31 MET ME . . 4.760 3.937 3.523 4.344 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLU HB2 1 31 MET ME . . 5.500 4.557 4.033 4.996 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLU HB3 1 31 MET ME . . 5.500 4.351 3.818 5.378 . 0 0 "[ . 1 . 2]" 1
88 1 12 PHE H 1 12 PHE HB2 . . 3.620 2.744 2.604 2.948 . 0 0 "[ . 1 . 2]" 1
89 1 12 PHE H 1 12 PHE HB3 . . 3.620 2.347 2.198 2.468 . 0 0 "[ . 1 . 2]" 1
90 1 12 PHE H 1 31 MET ME . . 4.490 3.977 3.478 4.240 . 0 0 "[ . 1 . 2]" 1
91 1 12 PHE HA 1 12 PHE QD . . 3.760 2.444 2.247 3.107 . 0 0 "[ . 1 . 2]" 1
92 1 12 PHE HA 1 15 TYR HB3 . . 3.860 3.271 2.945 3.803 . 0 0 "[ . 1 . 2]" 1
93 1 12 PHE HA 1 27 LEU MD1 . . 4.920 4.739 4.497 4.921 0.001 20 0 "[ . 1 . 2]" 1
94 1 12 PHE HA 1 31 MET ME . . 3.700 2.204 1.980 2.510 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE QB 1 13 ILE H . . 3.430 2.568 2.422 2.673 . 0 0 "[ . 1 . 2]" 1
96 1 12 PHE HB2 1 13 ILE H . . 4.090 3.949 3.825 4.030 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE HB2 1 31 MET ME . . 4.420 2.492 2.022 3.089 . 0 0 "[ . 1 . 2]" 1
98 1 12 PHE HB3 1 13 ILE H . . 4.090 2.602 2.449 2.713 . 0 0 "[ . 1 . 2]" 1
99 1 12 PHE HB3 1 31 MET ME . . 4.420 3.906 3.512 4.248 . 0 0 "[ . 1 . 2]" 1
100 1 12 PHE QD 1 13 ILE H . . 4.480 3.545 2.624 3.868 . 0 0 "[ . 1 . 2]" 1
101 1 12 PHE QD 1 13 ILE HA . . 4.460 3.976 2.858 4.257 . 0 0 "[ . 1 . 2]" 1
102 1 12 PHE QD 1 13 ILE MD . . 4.400 4.134 3.592 4.401 0.001 15 0 "[ . 1 . 2]" 1
103 1 12 PHE QD 1 13 ILE QG . . 4.350 2.876 1.967 3.287 . 0 0 "[ . 1 . 2]" 1
104 1 12 PHE QD 1 51 LEU MD1 . . 5.120 4.311 3.961 4.567 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE QE 1 42 ILE MD . . 4.030 3.298 2.790 3.686 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE QE 1 51 LEU MD1 . . 3.880 3.729 3.284 3.882 0.002 15 0 "[ . 1 . 2]" 1
107 1 12 PHE HZ 1 42 ILE QG . . 4.340 1.947 1.836 2.246 . 0 0 "[ . 1 . 2]" 1
108 1 12 PHE HZ 1 51 LEU MD1 . . 5.020 4.773 4.308 5.014 . 0 0 "[ . 1 . 2]" 1
109 1 13 ILE H 1 13 ILE HB . . 3.310 2.479 2.353 2.585 . 0 0 "[ . 1 . 2]" 1
110 1 13 ILE H 1 13 ILE MD . . 3.590 3.397 3.281 3.538 . 0 0 "[ . 1 . 2]" 1
111 1 13 ILE H 1 13 ILE HG12 . . 4.000 3.624 3.477 3.852 . 0 0 "[ . 1 . 2]" 1
112 1 13 ILE H 1 13 ILE QG . . 3.470 2.201 1.998 2.492 . 0 0 "[ . 1 . 2]" 1
113 1 13 ILE H 1 13 ILE HG13 . . 4.000 2.220 2.010 2.523 . 0 0 "[ . 1 . 2]" 1
114 1 13 ILE H 1 14 ASN H . . 3.830 2.669 2.574 2.765 . 0 0 "[ . 1 . 2]" 1
115 1 13 ILE H 1 51 LEU MD1 . . 5.220 5.024 4.740 5.220 0.000 4 0 "[ . 1 . 2]" 1
116 1 13 ILE HA 1 13 ILE MD . . 4.100 3.857 3.810 3.906 . 0 0 "[ . 1 . 2]" 1
117 1 13 ILE HA 1 13 ILE HG12 . . 4.050 2.640 2.547 2.740 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE HA 1 13 ILE QG . . 3.420 2.413 2.335 2.495 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE HA 1 13 ILE HG13 . . 4.050 2.792 2.677 2.873 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE HA 1 13 ILE MG . . 3.230 2.377 2.327 2.495 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE HA 1 16 ILE H . . 4.770 3.354 3.137 3.516 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE HA 1 16 ILE HB . . 3.870 2.947 2.590 3.369 . 0 0 "[ . 1 . 2]" 1
123 1 13 ILE HA 1 16 ILE MD . . 3.880 2.177 2.008 2.526 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE HA 1 16 ILE QG . . 4.480 3.257 3.034 3.562 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE HA 1 51 LEU MD1 . . 4.350 3.190 2.928 3.484 . 0 0 "[ . 1 . 2]" 1
126 1 13 ILE HB 1 13 ILE MD . . 3.430 2.266 2.180 2.353 . 0 0 "[ . 1 . 2]" 1
127 1 13 ILE HB 1 14 ASN H . . 3.720 2.558 2.351 2.760 . 0 0 "[ . 1 . 2]" 1
128 1 13 ILE MD 1 50 THR HA . . 5.500 5.257 4.813 5.491 . 0 0 "[ . 1 . 2]" 1
129 1 13 ILE MD 1 50 THR HB . . 4.690 4.137 3.725 4.519 . 0 0 "[ . 1 . 2]" 1
130 1 13 ILE MD 1 50 THR MG . . 2.940 2.183 1.833 2.398 . 0 0 "[ . 1 . 2]" 1
131 1 13 ILE QG 1 50 THR MG . . 4.380 3.342 2.770 3.793 . 0 0 "[ . 1 . 2]" 1
132 1 13 ILE MG 1 14 ASN H . . 4.090 3.316 3.203 3.551 . 0 0 "[ . 1 . 2]" 1
133 1 13 ILE MG 1 14 ASN HA . . 4.130 3.377 3.174 3.644 . 0 0 "[ . 1 . 2]" 1
134 1 13 ILE MG 1 16 ILE HB . . 3.990 3.389 3.017 3.716 . 0 0 "[ . 1 . 2]" 1
135 1 13 ILE MG 1 16 ILE MD . . 3.480 3.356 2.866 3.485 0.005 20 0 "[ . 1 . 2]" 1
136 1 13 ILE MG 1 17 LYS QE . . 3.320 2.414 1.835 3.354 0.034 20 0 "[ . 1 . 2]" 1
137 1 13 ILE MG 1 17 LYS QG . . 3.880 2.838 1.751 3.880 . 0 0 "[ . 1 . 2]" 1
138 1 14 ASN H 1 14 ASN HB2 . . 3.820 2.418 2.267 2.630 . 0 0 "[ . 1 . 2]" 1
139 1 14 ASN H 1 14 ASN QB . . 3.280 2.380 2.242 2.567 . 0 0 "[ . 1 . 2]" 1
140 1 14 ASN H 1 14 ASN HB3 . . 3.820 3.573 3.539 3.590 . 0 0 "[ . 1 . 2]" 1
141 1 14 ASN HA 1 17 LYS H . . 4.120 3.531 3.447 3.764 . 0 0 "[ . 1 . 2]" 1
142 1 14 ASN HA 1 17 LYS HB2 . . 4.880 2.947 2.635 3.630 . 0 0 "[ . 1 . 2]" 1
143 1 14 ASN HA 1 17 LYS QB . . 4.240 2.905 2.608 3.531 . 0 0 "[ . 1 . 2]" 1
144 1 14 ASN HA 1 17 LYS HB3 . . 4.880 4.439 4.178 4.831 . 0 0 "[ . 1 . 2]" 1
145 1 14 ASN HA 1 17 LYS QD . . 4.940 3.733 2.062 4.943 0.003 20 0 "[ . 1 . 2]" 1
146 1 14 ASN HA 1 17 LYS QG . . 4.320 3.184 1.999 4.145 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASN HA 1 18 LYS H . . 5.380 4.378 4.031 4.751 . 0 0 "[ . 1 . 2]" 1
148 1 14 ASN HA 1 18 LYS QG . . 4.560 4.424 3.667 4.574 0.014 11 0 "[ . 1 . 2]" 1
149 1 14 ASN QB 1 14 ASN QD . . 3.090 2.160 2.068 2.222 . 0 0 "[ . 1 . 2]" 1
150 1 14 ASN QB 1 15 TYR H . . 4.120 2.663 2.503 2.891 . 0 0 "[ . 1 . 2]" 1
151 1 14 ASN QB 1 15 TYR HA . . 5.210 3.888 3.837 3.967 . 0 0 "[ . 1 . 2]" 1
152 1 15 TYR H 1 15 TYR HB2 . . 3.400 2.507 2.387 2.672 . 0 0 "[ . 1 . 2]" 1
153 1 15 TYR H 1 15 TYR HB3 . . 3.420 2.567 2.396 2.683 . 0 0 "[ . 1 . 2]" 1
154 1 15 TYR H 1 15 TYR QD . . 4.230 4.178 4.127 4.210 . 0 0 "[ . 1 . 2]" 1
155 1 15 TYR H 1 16 ILE H . . 3.790 2.614 2.456 2.704 . 0 0 "[ . 1 . 2]" 1
156 1 15 TYR HA 1 15 TYR QD . . 3.630 2.220 2.031 2.411 . 0 0 "[ . 1 . 2]" 1
157 1 15 TYR HA 1 15 TYR QE . . 4.470 4.396 4.283 4.482 0.012 12 0 "[ . 1 . 2]" 1
158 1 15 TYR HA 1 18 LYS H . . 4.860 3.712 3.563 3.877 . 0 0 "[ . 1 . 2]" 1
159 1 15 TYR HA 1 18 LYS QB . . 4.110 3.469 3.082 4.113 0.003 13 0 "[ . 1 . 2]" 1
160 1 15 TYR HA 1 18 LYS QD . . 4.790 3.665 2.056 4.780 . 0 0 "[ . 1 . 2]" 1
161 1 15 TYR HA 1 19 SER H . . 4.890 3.899 3.678 4.096 . 0 0 "[ . 1 . 2]" 1
162 1 15 TYR HB2 1 16 ILE H . . 4.250 3.878 3.746 4.003 . 0 0 "[ . 1 . 2]" 1
163 1 15 TYR HB2 1 31 MET ME . . 4.460 3.897 3.306 4.250 . 0 0 "[ . 1 . 2]" 1
164 1 15 TYR HB3 1 16 ILE H . . 4.230 2.661 2.486 2.789 . 0 0 "[ . 1 . 2]" 1
165 1 15 TYR HB3 1 16 ILE HA . . 4.510 4.218 4.118 4.423 . 0 0 "[ . 1 . 2]" 1
166 1 15 TYR HB3 1 31 MET ME . . 4.310 3.625 3.134 3.872 . 0 0 "[ . 1 . 2]" 1
167 1 15 TYR QD 1 16 ILE H . . 4.260 4.091 3.862 4.241 . 0 0 "[ . 1 . 2]" 1
168 1 15 TYR QD 1 16 ILE HA . . 4.620 4.292 3.958 4.527 . 0 0 "[ . 1 . 2]" 1
169 1 15 TYR QD 1 16 ILE HG12 . . 4.680 4.489 4.164 4.681 0.001 13 0 "[ . 1 . 2]" 1
170 1 15 TYR QD 1 16 ILE QG . . 3.980 3.652 3.349 3.874 . 0 0 "[ . 1 . 2]" 1
171 1 15 TYR QD 1 16 ILE HG13 . . 4.680 3.869 3.501 4.140 . 0 0 "[ . 1 . 2]" 1
172 1 15 TYR QD 1 22 VAL MG1 . . 4.090 3.734 3.213 4.091 0.001 12 0 "[ . 1 . 2]" 1
173 1 15 TYR QD 1 22 VAL MG2 . . 4.290 3.944 3.594 4.292 0.002 12 0 "[ . 1 . 2]" 1
174 1 15 TYR QD 1 27 LEU MD1 . . 3.650 3.092 2.620 3.532 . 0 0 "[ . 1 . 2]" 1
175 1 15 TYR QD 1 30 GLN QG . . 5.190 5.089 4.543 5.189 . 0 0 "[ . 1 . 2]" 1
176 1 15 TYR QD 1 31 MET ME . . 3.710 3.306 2.251 3.587 . 0 0 "[ . 1 . 2]" 1
177 1 15 TYR QE 1 22 VAL MG1 . . 3.790 3.345 2.617 3.776 . 0 0 "[ . 1 . 2]" 1
178 1 15 TYR QE 1 22 VAL MG2 . . 4.120 3.803 3.344 4.119 . 0 0 "[ . 1 . 2]" 1
179 1 15 TYR QE 1 27 LEU HA . . 4.680 4.399 3.600 4.681 0.001 12 0 "[ . 1 . 2]" 1
180 1 15 TYR QE 1 27 LEU MD1 . . 3.970 3.256 2.407 3.891 . 0 0 "[ . 1 . 2]" 1
181 1 15 TYR QE 1 30 GLN QB . . 4.430 4.136 3.544 4.430 0.000 15 0 "[ . 1 . 2]" 1
182 1 15 TYR QE 1 30 GLN QG . . 4.410 3.591 3.170 4.277 . 0 0 "[ . 1 . 2]" 1
183 1 15 TYR QE 1 31 MET ME . . 4.670 4.485 3.844 4.670 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE H 1 16 ILE HB . . 3.540 2.527 2.431 2.618 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE H 1 16 ILE MD . . 4.560 3.380 3.298 3.478 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE H 1 16 ILE QG . . 3.840 2.103 1.941 2.287 . 0 0 "[ . 1 . 2]" 1
187 1 16 ILE H 1 16 ILE MG . . 4.160 3.763 3.746 3.768 . 0 0 "[ . 1 . 2]" 1
188 1 16 ILE H 1 17 LYS H . . 3.870 2.636 2.584 2.696 . 0 0 "[ . 1 . 2]" 1
189 1 16 ILE HA 1 16 ILE QG . . 3.630 2.446 2.376 2.522 . 0 0 "[ . 1 . 2]" 1
190 1 16 ILE HA 1 16 ILE MG . . 3.480 2.374 2.241 2.457 . 0 0 "[ . 1 . 2]" 1
191 1 16 ILE HA 1 22 VAL MG1 . . 4.600 4.087 3.805 4.328 . 0 0 "[ . 1 . 2]" 1
192 1 16 ILE HA 1 22 VAL MG2 . . 4.360 2.402 2.166 2.554 . 0 0 "[ . 1 . 2]" 1
193 1 16 ILE HB 1 16 ILE MD . . 3.680 2.249 2.174 2.419 . 0 0 "[ . 1 . 2]" 1
194 1 16 ILE HB 1 17 LYS H . . 3.870 2.617 2.487 2.758 . 0 0 "[ . 1 . 2]" 1
195 1 16 ILE MD 1 16 ILE MG . . 3.250 2.206 2.000 2.392 . 0 0 "[ . 1 . 2]" 1
196 1 16 ILE MD 1 17 LYS H . . 4.600 4.407 4.185 4.577 . 0 0 "[ . 1 . 2]" 1
197 1 16 ILE QG 1 22 VAL MG2 . . 3.730 2.945 2.506 3.417 . 0 0 "[ . 1 . 2]" 1
198 1 16 ILE MG 1 17 LYS H . . 4.250 3.464 3.275 3.571 . 0 0 "[ . 1 . 2]" 1
199 1 16 ILE MG 1 22 VAL MG2 . . 3.350 2.718 2.300 3.018 . 0 0 "[ . 1 . 2]" 1
200 1 16 ILE MG 1 61 PHE QD . . 3.850 3.376 2.668 3.850 0.000 15 0 "[ . 1 . 2]" 1
201 1 16 ILE MG 1 63 TYR QB . . 3.740 2.595 2.297 3.024 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE MG 1 63 TYR HD1 . . 3.710 3.523 3.274 3.705 . 0 0 "[ . 1 . 2]" 1
203 1 16 ILE MG 1 63 TYR HD2 . . 4.100 3.399 3.062 3.835 . 0 0 "[ . 1 . 2]" 1
204 1 16 ILE MG 1 63 TYR QE . . 4.190 3.725 3.406 4.185 . 0 0 "[ . 1 . 2]" 1
205 1 17 LYS H 1 17 LYS HB2 . . 4.020 2.446 2.184 2.853 . 0 0 "[ . 1 . 2]" 1
206 1 17 LYS H 1 17 LYS HB3 . . 4.020 3.556 3.492 3.592 . 0 0 "[ . 1 . 2]" 1
207 1 17 LYS H 1 17 LYS HD2 . . 4.570 3.868 2.336 4.570 0.000 3 0 "[ . 1 . 2]" 1
208 1 17 LYS H 1 17 LYS QD . . 3.930 3.355 2.248 3.930 0.000 6 0 "[ . 1 . 2]" 1
209 1 17 LYS H 1 17 LYS HD3 . . 4.570 3.837 2.528 4.570 . 0 0 "[ . 1 . 2]" 1
210 1 17 LYS H 1 17 LYS QG . . 4.290 2.462 1.880 3.472 . 0 0 "[ . 1 . 2]" 1
211 1 17 LYS H 1 18 LYS H . . 3.870 2.816 2.719 2.867 . 0 0 "[ . 1 . 2]" 1
212 1 17 LYS H 1 22 VAL MG2 . . 5.480 5.375 5.010 5.481 0.001 15 0 "[ . 1 . 2]" 1
213 1 17 LYS HA 1 17 LYS HD2 . . 4.530 3.423 2.428 4.530 . 0 0 "[ . 1 . 2]" 1
214 1 17 LYS HA 1 17 LYS HD3 . . 4.530 3.452 2.324 4.519 . 0 0 "[ . 1 . 2]" 1
215 1 17 LYS QB 1 17 LYS QD . . 3.110 2.155 2.036 2.323 . 0 0 "[ . 1 . 2]" 1
216 1 17 LYS QB 1 18 LYS H . . 3.780 2.417 2.341 2.529 . 0 0 "[ . 1 . 2]" 1
217 1 17 LYS QB 1 18 LYS HA . . 4.770 3.841 3.790 3.872 . 0 0 "[ . 1 . 2]" 1
218 1 17 LYS HB2 1 18 LYS H . . 4.520 2.492 2.373 2.677 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS HB3 1 18 LYS H . . 4.520 3.369 3.080 3.742 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS QE 1 17 LYS QG . . 3.200 2.235 2.003 2.587 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS QE 1 51 LEU MD2 . . 4.890 2.871 1.735 3.898 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS QE 1 63 TYR QE . . 4.440 3.755 2.968 4.256 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS HE2 1 17 LYS QG . . 3.910 2.742 2.058 3.328 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS HE3 1 17 LYS QG . . 3.910 2.682 2.146 3.380 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS QG 1 18 LYS H . . 5.060 4.055 3.523 4.420 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS QG 1 51 LEU MD2 . . 4.710 3.417 2.911 3.935 . 0 0 "[ . 1 . 2]" 1
227 1 17 LYS QG 1 63 TYR QE . . 4.670 3.398 2.400 4.652 . 0 0 "[ . 1 . 2]" 1
228 1 18 LYS H 1 18 LYS QB . . 3.390 2.480 2.347 2.654 . 0 0 "[ . 1 . 2]" 1
229 1 18 LYS H 1 18 LYS QD . . 5.310 3.982 3.362 4.253 . 0 0 "[ . 1 . 2]" 1
230 1 18 LYS H 1 18 LYS QG . . 3.940 2.208 1.892 2.459 . 0 0 "[ . 1 . 2]" 1
231 1 18 LYS HA 1 18 LYS QD . . 5.020 4.143 3.786 4.437 . 0 0 "[ . 1 . 2]" 1
232 1 18 LYS HA 1 18 LYS QG . . 3.710 2.645 2.305 3.342 . 0 0 "[ . 1 . 2]" 1
233 1 18 LYS QB 1 18 LYS QE . . 4.480 2.439 1.966 3.613 . 0 0 "[ . 1 . 2]" 1
234 1 18 LYS QB 1 19 SER H . . 3.830 2.741 2.519 3.408 . 0 0 "[ . 1 . 2]" 1
235 1 18 LYS QE 1 18 LYS QG . . 3.320 2.247 2.079 2.507 . 0 0 "[ . 1 . 2]" 1
236 1 18 LYS QG 1 19 SER H . . 4.530 3.490 1.893 4.126 . 0 0 "[ . 1 . 2]" 1
237 1 19 SER H 1 19 SER HB2 . . 3.810 2.462 2.186 3.588 . 0 0 "[ . 1 . 2]" 1
238 1 19 SER H 1 19 SER HB3 . . 3.810 3.356 2.652 3.593 . 0 0 "[ . 1 . 2]" 1
239 1 19 SER H 1 20 LYS H . . 4.460 4.347 3.891 4.512 0.052 18 0 "[ . 1 . 2]" 1
240 1 19 SER H 1 22 VAL MG2 . . 4.530 4.099 3.942 4.405 . 0 0 "[ . 1 . 2]" 1
241 1 19 SER QB 1 20 LYS H . . 3.910 3.528 1.932 3.915 0.005 13 0 "[ . 1 . 2]" 1
242 1 19 SER QB 1 21 VAL H . . 4.390 3.706 3.248 4.347 . 0 0 "[ . 1 . 2]" 1
243 1 19 SER QB 1 22 VAL MG1 . . 3.900 3.676 3.502 3.895 . 0 0 "[ . 1 . 2]" 1
244 1 19 SER QB 1 22 VAL MG2 . . 4.310 1.855 1.730 2.244 . 0 0 "[ . 1 . 2]" 1
245 1 19 SER HB2 1 20 LYS H . . 4.580 4.352 3.465 4.550 . 0 0 "[ . 1 . 2]" 1
246 1 19 SER HB2 1 22 VAL MG1 . . 4.460 4.208 3.726 4.434 . 0 0 "[ . 1 . 2]" 1
247 1 19 SER HB3 1 20 LYS H . . 4.580 3.798 1.942 4.379 . 0 0 "[ . 1 . 2]" 1
248 1 19 SER HB3 1 22 VAL MG1 . . 4.460 4.083 3.786 4.372 . 0 0 "[ . 1 . 2]" 1
249 1 20 LYS H 1 20 LYS HG2 . . 4.560 3.666 1.942 4.570 0.010 13 0 "[ . 1 . 2]" 1
250 1 20 LYS H 1 20 LYS QG . . 3.980 3.081 1.932 4.030 0.050 13 0 "[ . 1 . 2]" 1
251 1 20 LYS H 1 20 LYS HG3 . . 4.560 3.583 2.376 4.480 . 0 0 "[ . 1 . 2]" 1
252 1 20 LYS HA 1 20 LYS HG2 . . 4.210 3.034 2.272 3.862 . 0 0 "[ . 1 . 2]" 1
253 1 20 LYS HA 1 20 LYS HG3 . . 4.210 3.090 2.359 4.231 0.021 17 0 "[ . 1 . 2]" 1
254 1 20 LYS HA 1 63 TYR QB . . 4.540 4.441 4.088 4.540 0.000 15 0 "[ . 1 . 2]" 1
255 1 20 LYS QB 1 20 LYS QE . . 4.560 2.988 2.111 3.759 . 0 0 "[ . 1 . 2]" 1
256 1 20 LYS HB2 1 21 VAL H . . 4.470 3.126 2.147 3.925 . 0 0 "[ . 1 . 2]" 1
257 1 20 LYS HB3 1 21 VAL H . . 4.470 3.061 2.275 3.956 . 0 0 "[ . 1 . 2]" 1
258 1 20 LYS QE 1 20 LYS QG . . 3.470 2.227 2.055 2.512 . 0 0 "[ . 1 . 2]" 1
259 1 21 VAL H 1 21 VAL HB . . 3.790 2.668 2.535 2.715 . 0 0 "[ . 1 . 2]" 1
260 1 21 VAL H 1 21 VAL MG1 . . 4.390 3.853 3.796 3.877 . 0 0 "[ . 1 . 2]" 1
261 1 21 VAL H 1 21 VAL MG2 . . 3.900 2.854 2.734 3.024 . 0 0 "[ . 1 . 2]" 1
262 1 21 VAL HA 1 62 ILE HA . . 4.090 3.899 3.623 4.090 0.000 15 0 "[ . 1 . 2]" 1
263 1 21 VAL MG1 1 22 VAL H . . 3.980 2.721 2.227 2.954 . 0 0 "[ . 1 . 2]" 1
264 1 21 VAL MG1 1 22 VAL HA . . 4.530 3.653 3.434 3.777 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL MG2 1 22 VAL H . . 4.530 4.064 3.939 4.122 . 0 0 "[ . 1 . 2]" 1
266 1 21 VAL MG2 1 62 ILE HA . . 4.370 4.217 3.797 4.372 0.002 17 0 "[ . 1 . 2]" 1
267 1 22 VAL H 1 22 VAL HB . . 4.040 2.701 2.620 2.878 . 0 0 "[ . 1 . 2]" 1
268 1 22 VAL H 1 22 VAL MG1 . . 4.680 3.876 3.842 3.929 . 0 0 "[ . 1 . 2]" 1
269 1 22 VAL H 1 22 VAL MG2 . . 3.720 2.637 2.373 2.928 . 0 0 "[ . 1 . 2]" 1
270 1 22 VAL H 1 62 ILE HA . . 4.780 4.156 3.746 4.543 . 0 0 "[ . 1 . 2]" 1
271 1 22 VAL HA 1 22 VAL MG1 . . 3.710 2.307 2.134 2.445 . 0 0 "[ . 1 . 2]" 1
272 1 22 VAL MG1 1 23 LEU H . . 4.010 2.422 2.079 2.734 . 0 0 "[ . 1 . 2]" 1
273 1 22 VAL MG1 1 27 LEU H . . 4.510 3.830 3.604 4.071 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL MG1 1 27 LEU QB . . 4.150 2.423 2.278 2.645 . 0 0 "[ . 1 . 2]" 1
275 1 22 VAL MG1 1 27 LEU MD2 . . 3.300 2.800 2.428 3.289 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL MG1 1 61 PHE HB3 . . 4.610 4.057 3.654 4.588 . 0 0 "[ . 1 . 2]" 1
277 1 22 VAL MG1 1 61 PHE QD . . 4.290 3.502 2.745 4.282 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL MG2 1 61 PHE HB3 . . 5.050 4.800 4.302 5.046 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL MG2 1 61 PHE QD . . 4.050 3.681 3.312 4.050 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU H 1 23 LEU QB . . 3.470 2.266 2.192 2.350 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU H 1 23 LEU HG . . 4.710 4.386 4.185 4.609 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU H 1 26 ASP QB . . 4.440 3.086 2.576 3.369 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HA 1 23 LEU MD1 . . 3.920 2.457 1.939 3.565 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU HA 1 23 LEU QD . . 3.430 2.331 1.890 2.917 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 23 LEU MD2 . . 3.920 3.467 2.536 3.898 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU HA 1 24 LEU HG . . 4.950 3.649 3.532 3.813 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU QB 1 24 LEU H . . 4.480 3.248 2.929 3.670 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU QB 1 26 ASP H . . 4.030 2.288 2.130 2.678 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU QB 1 26 ASP QB . . 3.560 2.185 1.966 2.520 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU QB 1 27 LEU H . . 4.640 3.567 3.304 3.814 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU HG 1 25 GLU H . . 4.810 3.671 1.903 4.811 0.001 8 0 "[ . 1 . 2]" 1
292 1 23 LEU HG 1 26 ASP H . . 4.780 4.022 1.902 4.784 0.004 12 0 "[ . 1 . 2]" 1
293 1 24 LEU H 1 24 LEU QB . . 3.620 2.563 2.488 2.622 . 0 0 "[ . 1 . 2]" 1
294 1 24 LEU H 1 24 LEU MD2 . . 4.310 3.263 2.992 3.410 . 0 0 "[ . 1 . 2]" 1
295 1 24 LEU H 1 24 LEU HG . . 3.650 2.001 1.903 2.138 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU H 1 25 GLU H . . 4.400 2.656 2.580 2.773 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU HA 1 24 LEU MD1 . . 4.300 3.948 3.909 3.983 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU HA 1 24 LEU MD2 . . 3.290 2.287 2.072 2.511 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU HA 1 24 LEU HG . . 3.940 3.128 3.054 3.247 . 0 0 "[ . 1 . 2]" 1
300 1 24 LEU HA 1 27 LEU H . . 4.240 3.463 3.378 3.532 . 0 0 "[ . 1 . 2]" 1
301 1 24 LEU HA 1 27 LEU HB2 . . 4.040 3.351 3.020 3.936 . 0 0 "[ . 1 . 2]" 1
302 1 24 LEU HA 1 27 LEU QB . . 3.510 2.462 2.344 2.623 . 0 0 "[ . 1 . 2]" 1
303 1 24 LEU HA 1 27 LEU HB3 . . 4.040 2.544 2.391 2.771 . 0 0 "[ . 1 . 2]" 1
304 1 24 LEU HA 1 28 ALA H . . 4.420 4.074 3.838 4.311 . 0 0 "[ . 1 . 2]" 1
305 1 24 LEU QB 1 25 GLU H . . 3.930 2.532 2.508 2.666 . 0 0 "[ . 1 . 2]" 1
306 1 24 LEU QB 1 35 THR MG . . 3.920 2.639 1.876 3.105 . 0 0 "[ . 1 . 2]" 1
307 1 24 LEU HB2 1 25 GLU H . . 4.550 2.573 2.549 2.719 . 0 0 "[ . 1 . 2]" 1
308 1 24 LEU HB2 1 35 THR MG . . 4.490 3.179 2.386 3.662 . 0 0 "[ . 1 . 2]" 1
309 1 24 LEU HB3 1 25 GLU H . . 4.550 3.765 3.657 3.849 . 0 0 "[ . 1 . 2]" 1
310 1 24 LEU HB3 1 35 THR MG . . 4.490 2.828 1.962 3.372 . 0 0 "[ . 1 . 2]" 1
311 1 24 LEU MD1 1 59 GLY H . . 5.170 5.131 4.944 5.172 0.002 4 0 "[ . 1 . 2]" 1
312 1 24 LEU MD1 1 59 GLY HA2 . . 4.520 3.391 3.138 3.655 . 0 0 "[ . 1 . 2]" 1
313 1 24 LEU MD1 1 59 GLY QA . . 3.860 3.014 2.755 3.318 . 0 0 "[ . 1 . 2]" 1
314 1 24 LEU MD1 1 59 GLY HA3 . . 4.520 3.437 2.922 4.000 . 0 0 "[ . 1 . 2]" 1
315 1 24 LEU MD2 1 25 GLU H . . 4.840 4.699 4.624 4.750 . 0 0 "[ . 1 . 2]" 1
316 1 24 LEU MD2 1 27 LEU QB . . 4.480 3.747 3.515 3.892 . 0 0 "[ . 1 . 2]" 1
317 1 24 LEU MD2 1 61 PHE HB2 . . 3.720 2.394 1.886 2.881 . 0 0 "[ . 1 . 2]" 1
318 1 24 LEU MD2 1 61 PHE QD . . 4.400 3.654 3.151 4.241 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 25 GLU QB . . 3.320 2.335 2.152 2.545 . 0 0 "[ . 1 . 2]" 1
320 1 25 GLU H 1 25 GLU HG2 . . 4.420 3.292 2.136 4.421 0.001 18 0 "[ . 1 . 2]" 1
321 1 25 GLU H 1 25 GLU QG . . 3.880 2.546 2.009 3.824 . 0 0 "[ . 1 . 2]" 1
322 1 25 GLU H 1 25 GLU HG3 . . 4.420 2.929 2.031 4.186 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLU H 1 26 ASP H . . 4.680 2.655 2.615 2.678 . 0 0 "[ . 1 . 2]" 1
324 1 25 GLU H 1 35 THR MG . . 4.510 3.937 3.494 4.287 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLU HA 1 28 ALA H . . 4.510 3.789 3.633 3.890 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLU HA 1 28 ALA MB . . 3.560 3.106 2.703 3.398 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLU HA 1 35 THR MG . . 3.690 2.844 2.355 3.137 . 0 0 "[ . 1 . 2]" 1
328 1 25 GLU QB 1 26 ASP H . . 3.850 2.572 2.520 2.667 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLU QB 1 28 ALA MB . . 4.880 4.581 4.379 4.860 . 0 0 "[ . 1 . 2]" 1
330 1 25 GLU QB 1 35 THR MG . . 4.530 4.217 3.454 4.517 . 0 0 "[ . 1 . 2]" 1
331 1 25 GLU QG 1 26 ASP H . . 4.510 4.158 3.912 4.434 . 0 0 "[ . 1 . 2]" 1
332 1 25 GLU QG 1 35 THR MG . . 4.140 2.993 2.493 3.605 . 0 0 "[ . 1 . 2]" 1
333 1 25 GLU HG2 1 35 THR MG . . 4.810 3.293 2.552 4.334 . 0 0 "[ . 1 . 2]" 1
334 1 25 GLU HG3 1 35 THR MG . . 4.810 3.795 2.889 4.809 . 0 0 "[ . 1 . 2]" 1
335 1 26 ASP H 1 26 ASP QB . . 3.400 2.257 2.192 2.496 . 0 0 "[ . 1 . 2]" 1
336 1 26 ASP H 1 27 LEU H . . 3.620 2.503 2.462 2.603 . 0 0 "[ . 1 . 2]" 1
337 1 26 ASP QB 1 27 LEU H . . 3.760 2.686 2.575 2.857 . 0 0 "[ . 1 . 2]" 1
338 1 26 ASP QB 1 29 PHE H . . 5.200 5.043 4.857 5.186 . 0 0 "[ . 1 . 2]" 1
339 1 27 LEU H 1 27 LEU HB2 . . 3.750 2.527 2.390 2.782 . 0 0 "[ . 1 . 2]" 1
340 1 27 LEU H 1 27 LEU HB3 . . 3.750 2.486 2.266 2.623 . 0 0 "[ . 1 . 2]" 1
341 1 27 LEU H 1 27 LEU HG . . 4.720 4.458 4.295 4.531 . 0 0 "[ . 1 . 2]" 1
342 1 27 LEU H 1 28 ALA H . . 3.750 2.704 2.642 2.799 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU H 1 29 PHE H . . 4.490 4.266 4.051 4.370 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU HA 1 27 LEU MD1 . . 3.460 2.160 1.977 2.391 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU HA 1 27 LEU MD2 . . 4.210 3.920 3.867 4.004 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU QB 1 28 ALA H . . 3.380 2.561 2.408 2.678 . 0 0 "[ . 1 . 2]" 1
347 1 27 LEU QB 1 28 ALA MB . . 4.730 3.879 3.673 4.029 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU HB2 1 28 ALA H . . 4.080 3.887 3.738 4.025 . 0 0 "[ . 1 . 2]" 1
349 1 27 LEU HB3 1 28 ALA H . . 4.080 2.598 2.438 2.719 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU MD1 1 30 GLN QB . . 4.410 3.405 3.042 4.345 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU MD1 1 31 MET ME . . 3.670 2.873 2.279 3.412 . 0 0 "[ . 1 . 2]" 1
352 1 27 LEU MD1 1 31 MET HG2 . . 4.430 4.144 3.666 4.428 . 0 0 "[ . 1 . 2]" 1
353 1 27 LEU MD1 1 31 MET QG . . 3.890 2.837 2.328 3.210 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU MD1 1 31 MET HG3 . . 4.430 2.891 2.354 3.297 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU MD2 1 28 ALA H . . 4.460 4.181 3.823 4.415 . 0 0 "[ . 1 . 2]" 1
356 1 27 LEU HG 1 31 MET QG . . 4.670 3.883 3.142 4.467 . 0 0 "[ . 1 . 2]" 1
357 1 28 ALA H 1 28 ALA MB . . 3.040 2.126 2.025 2.232 . 0 0 "[ . 1 . 2]" 1
358 1 28 ALA H 1 29 PHE H . . 3.470 2.704 2.607 2.756 . 0 0 "[ . 1 . 2]" 1
359 1 28 ALA HA 1 31 MET H . . 4.600 3.837 3.648 3.894 . 0 0 "[ . 1 . 2]" 1
360 1 28 ALA HA 1 31 MET QB . . 4.090 3.639 2.951 3.960 . 0 0 "[ . 1 . 2]" 1
361 1 28 ALA HA 1 33 LEU H . . 4.220 4.092 3.820 4.220 . 0 0 "[ . 1 . 2]" 1
362 1 28 ALA HA 1 33 LEU HB2 . . 4.550 3.090 2.853 3.198 . 0 0 "[ . 1 . 2]" 1
363 1 28 ALA HA 1 33 LEU QB . . 3.750 3.036 2.815 3.137 . 0 0 "[ . 1 . 2]" 1
364 1 28 ALA HA 1 33 LEU HB3 . . 4.550 4.474 4.156 4.552 0.002 15 0 "[ . 1 . 2]" 1
365 1 28 ALA HA 1 33 LEU MD1 . . 4.590 4.484 4.096 4.590 0.000 11 0 "[ . 1 . 2]" 1
366 1 28 ALA MB 1 29 PHE H . . 3.350 2.563 2.412 2.770 . 0 0 "[ . 1 . 2]" 1
367 1 28 ALA MB 1 29 PHE HA . . 4.480 3.769 3.692 3.825 . 0 0 "[ . 1 . 2]" 1
368 1 28 ALA MB 1 29 PHE QB . . 4.420 3.777 3.675 3.930 . 0 0 "[ . 1 . 2]" 1
369 1 28 ALA MB 1 34 ARG HA . . 4.490 3.035 2.659 3.439 . 0 0 "[ . 1 . 2]" 1
370 1 28 ALA MB 1 35 THR HA . . 3.170 2.063 1.930 2.293 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA MB 1 35 THR HB . . 4.230 4.155 3.958 4.230 0.000 9 0 "[ . 1 . 2]" 1
372 1 28 ALA MB 1 35 THR MG . . 3.560 3.307 3.084 3.560 . 0 0 "[ . 1 . 2]" 1
373 1 29 PHE H 1 29 PHE HB2 . . 3.140 2.720 2.294 2.914 . 0 0 "[ . 1 . 2]" 1
374 1 29 PHE H 1 29 PHE HB3 . . 3.140 2.387 2.221 2.817 . 0 0 "[ . 1 . 2]" 1
375 1 29 PHE H 1 29 PHE QD . . 4.510 4.080 3.926 4.189 . 0 0 "[ . 1 . 2]" 1
376 1 29 PHE H 1 30 GLN H . . 3.540 2.602 2.553 2.690 . 0 0 "[ . 1 . 2]" 1
377 1 29 PHE HA 1 29 PHE QD . . 3.640 3.064 2.608 3.262 . 0 0 "[ . 1 . 2]" 1
378 1 29 PHE QB 1 30 GLN H . . 3.410 2.608 2.423 2.731 . 0 0 "[ . 1 . 2]" 1
379 1 29 PHE HB2 1 30 GLN H . . 4.070 3.940 3.613 4.070 0.000 20 0 "[ . 1 . 2]" 1
380 1 29 PHE HB3 1 30 GLN H . . 4.070 2.647 2.449 2.775 . 0 0 "[ . 1 . 2]" 1
381 1 29 PHE QD 1 30 GLN H . . 4.690 3.019 2.256 3.975 . 0 0 "[ . 1 . 2]" 1
382 1 29 PHE QD 1 30 GLN HA . . 4.290 2.895 2.399 3.656 . 0 0 "[ . 1 . 2]" 1
383 1 29 PHE QD 1 30 GLN QG . . 4.660 4.174 2.702 4.659 . 0 0 "[ . 1 . 2]" 1
384 1 30 GLN H 1 30 GLN QB . . 3.270 2.275 2.180 2.528 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLN H 1 30 GLN QG . . 4.120 3.227 2.001 4.058 . 0 0 "[ . 1 . 2]" 1
386 1 30 GLN H 1 31 MET H . . 3.880 2.793 2.663 2.836 . 0 0 "[ . 1 . 2]" 1
387 1 30 GLN HA 1 30 GLN QG . . 3.500 2.722 2.246 3.339 . 0 0 "[ . 1 . 2]" 1
388 1 30 GLN QB 1 31 MET H . . 3.880 2.571 2.421 3.356 . 0 0 "[ . 1 . 2]" 1
389 1 30 GLN QG 1 31 MET H . . 4.440 3.793 1.922 4.308 . 0 0 "[ . 1 . 2]" 1
390 1 31 MET H 1 31 MET QB . . 3.610 2.408 2.261 2.511 . 0 0 "[ . 1 . 2]" 1
391 1 31 MET H 1 31 MET ME . . 5.180 4.982 4.830 5.161 . 0 0 "[ . 1 . 2]" 1
392 1 31 MET H 1 31 MET HG2 . . 4.490 3.751 3.530 4.101 . 0 0 "[ . 1 . 2]" 1
393 1 31 MET H 1 31 MET QG . . 3.830 2.669 2.500 2.881 . 0 0 "[ . 1 . 2]" 1
394 1 31 MET H 1 31 MET HG3 . . 4.490 2.735 2.544 2.988 . 0 0 "[ . 1 . 2]" 1
395 1 31 MET HA 1 31 MET ME . . 4.540 4.365 3.933 4.510 . 0 0 "[ . 1 . 2]" 1
396 1 31 MET QB 1 33 LEU QB . . 4.940 3.138 2.994 3.231 . 0 0 "[ . 1 . 2]" 1
397 1 31 MET QB 1 33 LEU HG . . 3.770 2.775 2.542 3.135 . 0 0 "[ . 1 . 2]" 1
398 1 31 MET HB2 1 33 LEU MD1 . . 4.320 3.113 2.615 3.674 . 0 0 "[ . 1 . 2]" 1
399 1 31 MET HB2 1 33 LEU HG . . 4.360 3.445 3.039 3.842 . 0 0 "[ . 1 . 2]" 1
400 1 31 MET HB3 1 33 LEU MD1 . . 4.320 2.807 2.528 3.208 . 0 0 "[ . 1 . 2]" 1
401 1 31 MET HB3 1 33 LEU HG . . 4.360 2.949 2.585 3.447 . 0 0 "[ . 1 . 2]" 1
402 1 32 GLY H 1 33 LEU H . . 3.450 3.197 2.850 3.409 . 0 0 "[ . 1 . 2]" 1
403 1 32 GLY QA 1 33 LEU MD2 . . 4.940 4.609 4.333 4.934 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU H 1 33 LEU QB . . 3.410 2.580 2.386 2.666 . 0 0 "[ . 1 . 2]" 1
405 1 33 LEU H 1 33 LEU MD1 . . 4.720 3.461 3.383 3.602 . 0 0 "[ . 1 . 2]" 1
406 1 33 LEU H 1 33 LEU MD2 . . 4.400 3.223 2.976 3.493 . 0 0 "[ . 1 . 2]" 1
407 1 33 LEU H 1 33 LEU HG . . 3.900 2.028 1.900 2.358 . 0 0 "[ . 1 . 2]" 1
408 1 33 LEU QB 1 33 LEU MD1 . . 3.000 2.052 1.994 2.097 . 0 0 "[ . 1 . 2]" 1
409 1 33 LEU QB 1 34 ARG H . . 3.510 2.541 2.236 2.827 . 0 0 "[ . 1 . 2]" 1
410 1 33 LEU QB 1 37 ASP QB . . 3.590 2.696 2.330 2.932 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU QB 1 38 ALA MB . . 4.350 2.897 2.469 3.220 . 0 0 "[ . 1 . 2]" 1
412 1 33 LEU HB2 1 33 LEU MD1 . . 3.470 2.213 2.082 2.307 . 0 0 "[ . 1 . 2]" 1
413 1 33 LEU HB2 1 34 ARG H . . 4.080 3.710 3.318 4.001 . 0 0 "[ . 1 . 2]" 1
414 1 33 LEU HB3 1 33 LEU MD1 . . 3.470 2.441 2.331 2.553 . 0 0 "[ . 1 . 2]" 1
415 1 33 LEU HB3 1 34 ARG H . . 4.080 2.589 2.273 2.902 . 0 0 "[ . 1 . 2]" 1
416 1 33 LEU MD1 1 37 ASP QB . . 4.280 3.814 3.272 4.280 0.000 15 0 "[ . 1 . 2]" 1
417 1 33 LEU MD1 1 38 ALA H . . 4.630 4.463 4.115 4.610 . 0 0 "[ . 1 . 2]" 1
418 1 33 LEU MD1 1 38 ALA HA . . 3.740 3.327 2.938 3.694 . 0 0 "[ . 1 . 2]" 1
419 1 33 LEU MD1 1 38 ALA MB . . 3.320 3.196 2.930 3.320 . 0 0 "[ . 1 . 2]" 1
420 1 33 LEU MD2 1 34 ARG H . . 4.000 3.363 3.005 3.555 . 0 0 "[ . 1 . 2]" 1
421 1 33 LEU MD2 1 37 ASP QB . . 3.920 3.413 3.008 3.722 . 0 0 "[ . 1 . 2]" 1
422 1 34 ARG H 1 34 ARG HB2 . . 3.990 2.321 2.180 2.562 . 0 0 "[ . 1 . 2]" 1
423 1 34 ARG H 1 34 ARG QB . . 3.350 2.291 2.159 2.510 . 0 0 "[ . 1 . 2]" 1
424 1 34 ARG H 1 34 ARG HB3 . . 3.990 3.552 3.484 3.631 . 0 0 "[ . 1 . 2]" 1
425 1 34 ARG H 1 34 ARG QD . . 4.440 3.777 1.827 4.440 0.000 10 0 "[ . 1 . 2]" 1
426 1 34 ARG H 1 34 ARG HG2 . . 3.860 3.161 2.132 3.860 0.000 16 0 "[ . 1 . 2]" 1
427 1 34 ARG H 1 34 ARG HG3 . . 3.860 3.338 2.504 3.857 . 0 0 "[ . 1 . 2]" 1
428 1 34 ARG H 1 37 ASP H . . 4.690 4.193 3.896 4.515 . 0 0 "[ . 1 . 2]" 1
429 1 34 ARG H 1 37 ASP QB . . 3.860 2.515 2.198 2.806 . 0 0 "[ . 1 . 2]" 1
430 1 34 ARG HA 1 34 ARG HD2 . . 4.620 3.358 2.035 4.619 . 0 0 "[ . 1 . 2]" 1
431 1 34 ARG HA 1 34 ARG QD . . 4.000 2.948 2.024 4.012 0.012 11 0 "[ . 1 . 2]" 1
432 1 34 ARG HA 1 34 ARG HD3 . . 4.620 3.655 2.064 4.549 . 0 0 "[ . 1 . 2]" 1
433 1 34 ARG HA 1 34 ARG HG2 . . 3.900 2.703 2.165 3.649 . 0 0 "[ . 1 . 2]" 1
434 1 34 ARG HA 1 34 ARG HG3 . . 3.900 3.313 2.347 3.798 . 0 0 "[ . 1 . 2]" 1
435 1 34 ARG HA 1 35 THR H . . 3.570 2.332 2.288 2.385 . 0 0 "[ . 1 . 2]" 1
436 1 34 ARG QB 1 34 ARG QD . . 3.030 2.295 2.069 2.643 . 0 0 "[ . 1 . 2]" 1
437 1 34 ARG QB 1 36 GLN H . . 4.230 2.797 2.623 2.957 . 0 0 "[ . 1 . 2]" 1
438 1 34 ARG QB 1 37 ASP H . . 3.960 2.465 2.328 2.576 . 0 0 "[ . 1 . 2]" 1
439 1 34 ARG QB 1 37 ASP QB . . 4.330 2.257 2.001 2.658 . 0 0 "[ . 1 . 2]" 1
440 1 34 ARG HB2 1 35 THR H . . 4.160 3.887 3.655 4.061 . 0 0 "[ . 1 . 2]" 1
441 1 34 ARG HB2 1 37 ASP H . . 4.590 2.683 2.374 2.911 . 0 0 "[ . 1 . 2]" 1
442 1 34 ARG HB3 1 35 THR H . . 4.160 2.633 2.480 2.780 . 0 0 "[ . 1 . 2]" 1
443 1 34 ARG HB3 1 37 ASP H . . 4.590 2.961 2.676 3.433 . 0 0 "[ . 1 . 2]" 1
444 1 34 ARG QG 1 37 ASP H . . 4.820 4.435 4.194 4.621 . 0 0 "[ . 1 . 2]" 1
445 1 35 THR H 1 35 THR HB . . 3.920 2.638 2.542 2.700 . 0 0 "[ . 1 . 2]" 1
446 1 35 THR H 1 35 THR MG . . 4.370 3.761 3.753 3.767 . 0 0 "[ . 1 . 2]" 1
447 1 35 THR H 1 36 GLN H . . 3.960 2.791 2.710 2.836 . 0 0 "[ . 1 . 2]" 1
448 1 35 THR HA 1 35 THR MG . . 3.330 2.331 2.247 2.443 . 0 0 "[ . 1 . 2]" 1
449 1 35 THR HA 1 36 GLN HA . . 4.870 4.756 4.740 4.796 . 0 0 "[ . 1 . 2]" 1
450 1 35 THR HA 1 38 ALA H . . 4.340 3.769 3.630 3.851 . 0 0 "[ . 1 . 2]" 1
451 1 35 THR HB 1 36 GLN H . . 3.650 2.468 2.415 2.604 . 0 0 "[ . 1 . 2]" 1
452 1 35 THR MG 1 36 GLN H . . 4.390 3.480 3.249 3.628 . 0 0 "[ . 1 . 2]" 1
453 1 35 THR MG 1 36 GLN HA . . 4.300 3.614 3.301 3.810 . 0 0 "[ . 1 . 2]" 1
454 1 35 THR MG 1 39 ILE H . . 4.490 4.183 3.953 4.351 . 0 0 "[ . 1 . 2]" 1
455 1 35 THR MG 1 39 ILE MD . . 3.090 2.014 1.734 2.602 . 0 0 "[ . 1 . 2]" 1
456 1 35 THR MG 1 39 ILE QG . . 3.970 2.908 2.695 3.062 . 0 0 "[ . 1 . 2]" 1
457 1 36 GLN H 1 36 GLN HB2 . . 3.570 2.402 2.258 2.597 . 0 0 "[ . 1 . 2]" 1
458 1 36 GLN H 1 36 GLN QB . . 3.120 2.228 2.172 2.255 . 0 0 "[ . 1 . 2]" 1
459 1 36 GLN H 1 36 GLN HB3 . . 3.570 2.668 2.469 2.823 . 0 0 "[ . 1 . 2]" 1
460 1 36 GLN H 1 36 GLN QG . . 4.170 4.047 4.000 4.068 . 0 0 "[ . 1 . 2]" 1
461 1 36 GLN H 1 37 ASP H . . 3.940 2.631 2.572 2.733 . 0 0 "[ . 1 . 2]" 1
462 1 36 GLN H 1 38 ALA H . . 4.680 4.274 4.137 4.359 . 0 0 "[ . 1 . 2]" 1
463 1 36 GLN HA 1 36 GLN QG . . 3.750 2.767 2.573 3.008 . 0 0 "[ . 1 . 2]" 1
464 1 36 GLN HA 1 39 ILE H . . 4.160 3.524 3.459 3.617 . 0 0 "[ . 1 . 2]" 1
465 1 36 GLN HA 1 39 ILE HB . . 3.270 2.723 2.590 2.834 . 0 0 "[ . 1 . 2]" 1
466 1 36 GLN HA 1 39 ILE MD . . 3.280 2.303 2.014 2.672 . 0 0 "[ . 1 . 2]" 1
467 1 36 GLN HA 1 39 ILE MG . . 4.130 4.027 3.891 4.124 . 0 0 "[ . 1 . 2]" 1
468 1 36 GLN HA 1 40 ASN H . . 4.830 4.057 3.833 4.390 . 0 0 "[ . 1 . 2]" 1
469 1 36 GLN QB 1 37 ASP H . . 3.870 2.544 2.413 2.713 . 0 0 "[ . 1 . 2]" 1
470 1 36 GLN HB2 1 37 ASP H . . 4.540 3.754 3.626 3.929 . 0 0 "[ . 1 . 2]" 1
471 1 36 GLN HB3 1 37 ASP H . . 4.540 2.588 2.445 2.766 . 0 0 "[ . 1 . 2]" 1
472 1 36 GLN QE 1 39 ILE HB . . 4.060 2.929 2.328 3.545 . 0 0 "[ . 1 . 2]" 1
473 1 36 GLN QE 1 39 ILE MD . . 4.010 3.047 2.450 3.748 . 0 0 "[ . 1 . 2]" 1
474 1 36 GLN QE 1 39 ILE QG . . 5.090 4.454 3.902 4.984 . 0 0 "[ . 1 . 2]" 1
475 1 36 GLN QE 1 39 ILE MG . . 3.710 2.964 2.511 3.290 . 0 0 "[ . 1 . 2]" 1
476 1 36 GLN HE21 1 39 ILE HB . . 4.680 3.100 2.372 3.705 . 0 0 "[ . 1 . 2]" 1
477 1 36 GLN HE21 1 39 ILE MD . . 4.610 3.563 2.637 4.344 . 0 0 "[ . 1 . 2]" 1
478 1 36 GLN HE21 1 39 ILE MG . . 4.440 3.402 2.999 3.676 . 0 0 "[ . 1 . 2]" 1
479 1 36 GLN HE22 1 39 ILE HB . . 4.680 3.776 2.679 4.600 . 0 0 "[ . 1 . 2]" 1
480 1 36 GLN HE22 1 39 ILE MD . . 4.610 3.359 2.895 4.223 . 0 0 "[ . 1 . 2]" 1
481 1 36 GLN HE22 1 39 ILE MG . . 4.440 3.382 2.595 4.042 . 0 0 "[ . 1 . 2]" 1
482 1 36 GLN QG 1 40 ASN HD21 . . 4.500 3.172 2.092 4.000 . 0 0 "[ . 1 . 2]" 1
483 1 36 GLN QG 1 40 ASN QD . . 3.670 2.202 1.815 2.662 . 0 0 "[ . 1 . 2]" 1
484 1 36 GLN QG 1 40 ASN HD22 . . 4.500 2.271 1.889 2.797 . 0 0 "[ . 1 . 2]" 1
485 1 37 ASP H 1 37 ASP QB . . 3.440 2.260 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
486 1 37 ASP H 1 38 ALA H . . 3.570 2.764 2.713 2.794 . 0 0 "[ . 1 . 2]" 1
487 1 37 ASP H 1 38 ALA MB . . 4.440 4.351 4.299 4.418 . 0 0 "[ . 1 . 2]" 1
488 1 37 ASP HA 1 40 ASN H . . 4.160 3.635 3.565 3.738 . 0 0 "[ . 1 . 2]" 1
489 1 37 ASP HA 1 40 ASN QB . . 3.630 2.861 2.659 3.410 . 0 0 "[ . 1 . 2]" 1
490 1 37 ASP HA 1 40 ASN HD21 . . 4.530 2.547 1.953 4.530 0.000 4 0 "[ . 1 . 2]" 1
491 1 37 ASP HA 1 40 ASN QD . . 3.910 2.466 1.934 3.575 . 0 0 "[ . 1 . 2]" 1
492 1 37 ASP HA 1 40 ASN HD22 . . 4.530 3.780 2.973 4.529 . 0 0 "[ . 1 . 2]" 1
493 1 37 ASP QB 1 38 ALA H . . 3.660 2.498 2.413 2.560 . 0 0 "[ . 1 . 2]" 1
494 1 38 ALA H 1 38 ALA MB . . 3.260 2.120 2.026 2.230 . 0 0 "[ . 1 . 2]" 1
495 1 38 ALA H 1 39 ILE H . . 3.690 2.708 2.670 2.742 . 0 0 "[ . 1 . 2]" 1
496 1 38 ALA HA 1 40 ASN H . . 5.360 4.474 4.388 4.710 . 0 0 "[ . 1 . 2]" 1
497 1 38 ALA HA 1 41 ARG H . . 4.140 3.582 3.540 3.616 . 0 0 "[ . 1 . 2]" 1
498 1 38 ALA HA 1 41 ARG QB . . 3.960 2.988 2.505 3.392 . 0 0 "[ . 1 . 2]" 1
499 1 38 ALA HA 1 41 ARG QG . . 4.380 3.488 2.480 4.367 . 0 0 "[ . 1 . 2]" 1
500 1 38 ALA MB 1 39 ILE H . . 3.640 2.593 2.463 2.702 . 0 0 "[ . 1 . 2]" 1
501 1 38 ALA MB 1 39 ILE HB . . 5.500 4.643 4.545 4.710 . 0 0 "[ . 1 . 2]" 1
502 1 38 ALA MB 1 40 ASN H . . 4.700 4.560 4.510 4.660 . 0 0 "[ . 1 . 2]" 1
503 1 38 ALA MB 1 41 ARG QB . . 4.820 4.110 3.952 4.203 . 0 0 "[ . 1 . 2]" 1
504 1 38 ALA MB 1 42 ILE MD . . 4.210 2.935 2.372 3.499 . 0 0 "[ . 1 . 2]" 1
505 1 39 ILE H 1 39 ILE HB . . 3.380 2.490 2.416 2.552 . 0 0 "[ . 1 . 2]" 1
506 1 39 ILE H 1 39 ILE MD . . 3.560 3.340 3.273 3.430 . 0 0 "[ . 1 . 2]" 1
507 1 39 ILE H 1 39 ILE HG12 . . 4.130 3.607 3.506 3.750 . 0 0 "[ . 1 . 2]" 1
508 1 39 ILE H 1 39 ILE QG . . 3.450 2.165 2.040 2.328 . 0 0 "[ . 1 . 2]" 1
509 1 39 ILE H 1 39 ILE HG13 . . 4.130 2.182 2.053 2.350 . 0 0 "[ . 1 . 2]" 1
510 1 39 ILE H 1 39 ILE MG . . 3.980 3.756 3.740 3.764 . 0 0 "[ . 1 . 2]" 1
511 1 39 ILE H 1 40 ASN H . . 3.560 2.720 2.684 2.777 . 0 0 "[ . 1 . 2]" 1
512 1 39 ILE H 1 41 ARG H . . 4.540 4.200 4.030 4.315 . 0 0 "[ . 1 . 2]" 1
513 1 39 ILE HA 1 39 ILE MD . . 4.100 3.856 3.829 3.882 . 0 0 "[ . 1 . 2]" 1
514 1 39 ILE HA 1 39 ILE HG12 . . 4.040 2.654 2.589 2.704 . 0 0 "[ . 1 . 2]" 1
515 1 39 ILE HA 1 39 ILE QG . . 3.330 2.411 2.364 2.455 . 0 0 "[ . 1 . 2]" 1
516 1 39 ILE HA 1 39 ILE HG13 . . 4.040 2.767 2.670 2.827 . 0 0 "[ . 1 . 2]" 1
517 1 39 ILE HA 1 39 ILE MG . . 3.200 2.439 2.379 2.500 . 0 0 "[ . 1 . 2]" 1
518 1 39 ILE HA 1 42 ILE H . . 4.470 3.425 3.344 3.505 . 0 0 "[ . 1 . 2]" 1
519 1 39 ILE HA 1 42 ILE HB . . 3.750 2.889 2.525 3.364 . 0 0 "[ . 1 . 2]" 1
520 1 39 ILE HA 1 42 ILE MD . . 4.260 2.296 1.990 2.678 . 0 0 "[ . 1 . 2]" 1
521 1 39 ILE HA 1 42 ILE QG . . 4.580 3.788 3.456 4.414 . 0 0 "[ . 1 . 2]" 1
522 1 39 ILE HB 1 40 ASN H . . 3.520 2.589 2.446 2.636 . 0 0 "[ . 1 . 2]" 1
523 1 39 ILE MG 1 40 ASN H . . 3.830 3.363 3.184 3.456 . 0 0 "[ . 1 . 2]" 1
524 1 39 ILE MG 1 40 ASN HA . . 3.960 3.427 3.142 3.555 . 0 0 "[ . 1 . 2]" 1
525 1 39 ILE MG 1 42 ILE H . . 4.600 4.439 4.188 4.599 . 0 0 "[ . 1 . 2]" 1
526 1 39 ILE MG 1 43 GLN QE . . 4.240 3.093 1.874 4.214 . 0 0 "[ . 1 . 2]" 1
527 1 39 ILE MG 1 43 GLN HG2 . . 4.040 2.826 1.979 3.749 . 0 0 "[ . 1 . 2]" 1
528 1 39 ILE MG 1 43 GLN QG . . 3.520 2.239 1.939 2.648 . 0 0 "[ . 1 . 2]" 1
529 1 39 ILE MG 1 43 GLN HG3 . . 4.040 2.596 1.967 3.521 . 0 0 "[ . 1 . 2]" 1
530 1 40 ASN H 1 40 ASN QB . . 3.250 2.348 2.189 2.713 . 0 0 "[ . 1 . 2]" 1
531 1 40 ASN H 1 40 ASN QD . . 3.600 3.268 2.122 3.578 . 0 0 "[ . 1 . 2]" 1
532 1 40 ASN HA 1 40 ASN QD . . 4.540 3.833 2.070 4.129 . 0 0 "[ . 1 . 2]" 1
533 1 40 ASN HA 1 43 GLN H . . 4.350 3.621 3.457 3.810 . 0 0 "[ . 1 . 2]" 1
534 1 40 ASN HA 1 43 GLN HB2 . . 3.710 2.688 2.460 2.865 . 0 0 "[ . 1 . 2]" 1
535 1 40 ASN HA 1 43 GLN HB3 . . 4.350 4.243 4.040 4.351 0.001 15 0 "[ . 1 . 2]" 1
536 1 40 ASN HA 1 43 GLN QG . . 4.210 3.469 2.816 4.142 . 0 0 "[ . 1 . 2]" 1
537 1 40 ASN QB 1 40 ASN HD22 . . 3.770 3.234 3.213 3.493 . 0 0 "[ . 1 . 2]" 1
538 1 40 ASN QB 1 41 ARG H . . 3.650 2.655 2.493 2.835 . 0 0 "[ . 1 . 2]" 1
539 1 41 ARG H 1 41 ARG QB . . 3.470 2.273 2.156 2.474 . 0 0 "[ . 1 . 2]" 1
540 1 41 ARG H 1 41 ARG QG . . 3.620 2.797 2.101 3.587 . 0 0 "[ . 1 . 2]" 1
541 1 41 ARG HA 1 41 ARG HD2 . . 4.230 3.402 2.131 3.996 . 0 0 "[ . 1 . 2]" 1
542 1 41 ARG HA 1 41 ARG HD3 . . 4.230 3.002 2.015 4.182 . 0 0 "[ . 1 . 2]" 1
543 1 41 ARG HA 1 41 ARG QG . . 3.700 2.544 2.264 2.855 . 0 0 "[ . 1 . 2]" 1
544 1 41 ARG HA 1 44 ASP H . . 4.670 3.655 3.537 3.818 . 0 0 "[ . 1 . 2]" 1
545 1 41 ARG HA 1 44 ASP HB2 . . 4.430 3.362 2.803 4.140 . 0 0 "[ . 1 . 2]" 1
546 1 41 ARG HA 1 44 ASP QB . . 3.750 2.911 2.661 3.266 . 0 0 "[ . 1 . 2]" 1
547 1 41 ARG HA 1 44 ASP HB3 . . 4.430 3.672 2.694 4.429 . 0 0 "[ . 1 . 2]" 1
548 1 41 ARG QB 1 42 ILE H . . 3.720 2.545 2.415 2.725 . 0 0 "[ . 1 . 2]" 1
549 1 41 ARG HB2 1 42 ILE H . . 4.320 2.646 2.458 2.860 . 0 0 "[ . 1 . 2]" 1
550 1 41 ARG HB3 1 42 ILE H . . 4.320 3.355 3.144 3.667 . 0 0 "[ . 1 . 2]" 1
551 1 41 ARG QG 1 42 ILE H . . 4.570 4.245 3.946 4.526 . 0 0 "[ . 1 . 2]" 1
552 1 42 ILE H 1 42 ILE HB . . 3.400 2.499 2.403 2.576 . 0 0 "[ . 1 . 2]" 1
553 1 42 ILE H 1 42 ILE MD . . 4.660 2.935 1.868 3.453 . 0 0 "[ . 1 . 2]" 1
554 1 42 ILE H 1 42 ILE HG12 . . 4.130 3.684 3.455 3.976 . 0 0 "[ . 1 . 2]" 1
555 1 42 ILE H 1 42 ILE QG . . 3.480 2.354 1.996 3.096 . 0 0 "[ . 1 . 2]" 1
556 1 42 ILE H 1 42 ILE HG13 . . 4.130 2.393 2.008 3.229 . 0 0 "[ . 1 . 2]" 1
557 1 42 ILE H 1 42 ILE MG . . 4.390 3.758 3.737 3.765 . 0 0 "[ . 1 . 2]" 1
558 1 42 ILE H 1 43 GLN H . . 3.880 2.680 2.596 2.750 . 0 0 "[ . 1 . 2]" 1
559 1 42 ILE H 1 43 GLN QG . . 5.340 4.637 4.235 5.020 . 0 0 "[ . 1 . 2]" 1
560 1 42 ILE HA 1 42 ILE MD . . 4.060 3.732 3.203 3.890 . 0 0 "[ . 1 . 2]" 1
561 1 42 ILE HA 1 42 ILE HG12 . . 4.020 2.905 2.591 3.525 . 0 0 "[ . 1 . 2]" 1
562 1 42 ILE HA 1 42 ILE QG . . 3.480 2.389 2.211 2.473 . 0 0 "[ . 1 . 2]" 1
563 1 42 ILE HA 1 42 ILE HG13 . . 4.020 2.640 2.237 2.875 . 0 0 "[ . 1 . 2]" 1
564 1 42 ILE HA 1 42 ILE MG . . 3.650 2.411 2.313 2.504 . 0 0 "[ . 1 . 2]" 1
565 1 42 ILE HA 1 45 LEU H . . 4.580 3.421 3.302 3.618 . 0 0 "[ . 1 . 2]" 1
566 1 42 ILE HA 1 45 LEU QB . . 3.640 2.791 2.609 3.231 . 0 0 "[ . 1 . 2]" 1
567 1 42 ILE HA 1 45 LEU MD1 . . 3.870 2.493 2.043 3.057 . 0 0 "[ . 1 . 2]" 1
568 1 42 ILE HA 1 51 LEU MD1 . . 3.840 3.669 3.464 3.838 . 0 0 "[ . 1 . 2]" 1
569 1 42 ILE HB 1 43 GLN H . . 4.060 2.557 2.448 2.688 . 0 0 "[ . 1 . 2]" 1
570 1 42 ILE QG 1 45 LEU MD1 . . 4.210 3.417 2.837 3.877 . 0 0 "[ . 1 . 2]" 1
571 1 42 ILE QG 1 51 LEU MD1 . . 4.100 3.960 3.810 4.098 . 0 0 "[ . 1 . 2]" 1
572 1 42 ILE MG 1 43 GLN H . . 4.600 3.349 3.110 3.528 . 0 0 "[ . 1 . 2]" 1
573 1 42 ILE MG 1 43 GLN HA . . 4.510 3.403 3.108 3.629 . 0 0 "[ . 1 . 2]" 1
574 1 42 ILE MG 1 45 LEU MD1 . . 4.280 3.702 2.945 4.247 . 0 0 "[ . 1 . 2]" 1
575 1 42 ILE MG 1 46 LEU H . . 5.080 3.700 3.492 4.107 . 0 0 "[ . 1 . 2]" 1
576 1 42 ILE MG 1 46 LEU QD . . 3.420 1.950 1.770 2.202 . 0 0 "[ . 1 . 2]" 1
577 1 42 ILE MG 1 46 LEU HG . . 4.310 2.634 2.011 4.318 0.008 15 0 "[ . 1 . 2]" 1
578 1 42 ILE MG 1 61 PHE QD . . 3.670 3.430 2.743 3.670 . 12 0 "[ . 1 . 2]" 1
579 1 43 GLN H 1 43 GLN HB2 . . 3.670 2.331 2.197 2.481 . 0 0 "[ . 1 . 2]" 1
580 1 43 GLN H 1 43 GLN HB3 . . 3.760 3.552 3.501 3.587 . 0 0 "[ . 1 . 2]" 1
581 1 43 GLN H 1 43 GLN HG2 . . 4.090 2.950 2.237 3.817 . 0 0 "[ . 1 . 2]" 1
582 1 43 GLN H 1 43 GLN HG3 . . 4.090 3.235 2.220 4.021 . 0 0 "[ . 1 . 2]" 1
583 1 43 GLN H 1 44 ASP H . . 4.330 2.724 2.652 2.779 . 0 0 "[ . 1 . 2]" 1
584 1 43 GLN HA 1 43 GLN HG2 . . 4.240 2.601 2.283 3.020 . 0 0 "[ . 1 . 2]" 1
585 1 43 GLN HA 1 43 GLN QG . . 3.530 2.519 2.226 2.883 . 0 0 "[ . 1 . 2]" 1
586 1 43 GLN HA 1 43 GLN HG3 . . 4.240 3.432 2.823 3.773 . 0 0 "[ . 1 . 2]" 1
587 1 43 GLN HA 1 46 LEU QB . . 3.620 2.721 2.519 2.908 . 0 0 "[ . 1 . 2]" 1
588 1 43 GLN HA 1 46 LEU QD . . 3.660 2.979 1.940 3.638 . 0 0 "[ . 1 . 2]" 1
589 1 43 GLN HA 1 46 LEU HG . . 4.660 4.074 3.673 4.695 0.035 15 0 "[ . 1 . 2]" 1
590 1 43 GLN HB2 1 44 ASP H . . 4.040 2.751 2.609 2.904 . 0 0 "[ . 1 . 2]" 1
591 1 43 GLN HB3 1 44 ASP H . . 3.960 3.489 3.302 3.647 . 0 0 "[ . 1 . 2]" 1
592 1 43 GLN QG 1 44 ASP H . . 5.340 4.252 4.052 4.425 . 0 0 "[ . 1 . 2]" 1
593 1 44 ASP H 1 44 ASP HB2 . . 3.760 2.380 2.184 2.957 . 0 0 "[ . 1 . 2]" 1
594 1 44 ASP H 1 44 ASP QB . . 3.260 2.197 2.132 2.251 . 0 0 "[ . 1 . 2]" 1
595 1 44 ASP H 1 44 ASP HB3 . . 3.760 2.955 2.187 3.510 . 0 0 "[ . 1 . 2]" 1
596 1 44 ASP H 1 45 LEU H . . 3.740 2.630 2.568 2.679 . 0 0 "[ . 1 . 2]" 1
597 1 44 ASP H 1 46 LEU H . . 4.660 4.142 3.966 4.375 . 0 0 "[ . 1 . 2]" 1
598 1 44 ASP QB 1 45 LEU H . . 3.710 2.636 2.448 2.828 . 0 0 "[ . 1 . 2]" 1
599 1 44 ASP HB2 1 45 LEU H . . 4.280 3.429 2.726 4.029 . 0 0 "[ . 1 . 2]" 1
600 1 44 ASP HB3 1 45 LEU H . . 4.280 2.924 2.493 3.500 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU H 1 45 LEU HB2 . . 4.120 2.422 2.233 2.532 . 0 0 "[ . 1 . 2]" 1
602 1 45 LEU H 1 45 LEU QB . . 3.550 2.384 2.209 2.484 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU H 1 45 LEU HB3 . . 4.120 3.577 3.523 3.593 . 0 0 "[ . 1 . 2]" 1
604 1 45 LEU H 1 45 LEU MD1 . . 4.030 3.519 3.348 3.685 . 0 0 "[ . 1 . 2]" 1
605 1 45 LEU H 1 45 LEU MD2 . . 4.090 3.571 3.313 3.826 . 0 0 "[ . 1 . 2]" 1
606 1 45 LEU H 1 45 LEU HG . . 3.550 2.383 2.191 2.785 . 0 0 "[ . 1 . 2]" 1
607 1 45 LEU H 1 46 LEU H . . 3.950 2.626 2.538 2.691 . 0 0 "[ . 1 . 2]" 1
608 1 45 LEU HA 1 45 LEU MD1 . . 4.030 3.891 3.837 3.927 . 0 0 "[ . 1 . 2]" 1
609 1 45 LEU HA 1 45 LEU MD2 . . 2.890 2.089 1.977 2.262 . 0 0 "[ . 1 . 2]" 1
610 1 45 LEU HA 1 45 LEU HG . . 4.090 2.973 2.802 3.163 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU HA 1 48 GLU H . . 4.010 3.556 3.417 3.639 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU HA 1 48 GLU QB . . 3.560 3.086 2.809 3.336 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU HA 1 48 GLU QG . . 3.970 3.372 2.946 3.759 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU QB 1 46 LEU H . . 4.280 2.533 2.340 2.709 . 0 0 "[ . 1 . 2]" 1
615 1 45 LEU QB 1 50 THR HB . . 3.840 2.494 2.111 2.936 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU QB 1 51 LEU H . . 4.170 3.486 3.008 3.933 . 0 0 "[ . 1 . 2]" 1
617 1 45 LEU QB 1 51 LEU QB . . 3.940 2.675 2.138 3.173 . 0 0 "[ . 1 . 2]" 1
618 1 45 LEU QB 1 51 LEU MD1 . . 3.330 2.212 1.902 2.469 . 0 0 "[ . 1 . 2]" 1
619 1 45 LEU HB2 1 45 LEU MD1 . . 3.480 2.203 2.070 2.348 . 0 0 "[ . 1 . 2]" 1
620 1 45 LEU HB2 1 50 THR HB . . 4.610 4.169 3.724 4.553 . 0 0 "[ . 1 . 2]" 1
621 1 45 LEU HB2 1 51 LEU HG . . 4.590 4.440 3.927 4.589 . 0 0 "[ . 1 . 2]" 1
622 1 45 LEU HB3 1 45 LEU MD1 . . 3.480 2.473 2.348 2.571 . 0 0 "[ . 1 . 2]" 1
623 1 45 LEU HB3 1 50 THR HB . . 4.610 2.514 2.123 2.973 . 0 0 "[ . 1 . 2]" 1
624 1 45 LEU HB3 1 51 LEU HG . . 4.590 3.235 2.936 3.443 . 0 0 "[ . 1 . 2]" 1
625 1 45 LEU MD2 1 48 GLU H . . 5.310 5.120 4.932 5.274 . 0 0 "[ . 1 . 2]" 1
626 1 45 LEU MD2 1 48 GLU QB . . 4.140 3.949 3.569 4.123 . 0 0 "[ . 1 . 2]" 1
627 1 45 LEU MD2 1 48 GLU QG . . 4.490 4.165 3.824 4.488 . 0 0 "[ . 1 . 2]" 1
628 1 45 LEU MD2 1 50 THR HB . . 3.280 2.679 2.153 3.037 . 0 0 "[ . 1 . 2]" 1
629 1 46 LEU H 1 46 LEU HB2 . . 4.150 2.320 2.249 2.498 . 0 0 "[ . 1 . 2]" 1
630 1 46 LEU H 1 46 LEU QB . . 3.560 2.291 2.225 2.453 . 0 0 "[ . 1 . 2]" 1
631 1 46 LEU H 1 46 LEU HB3 . . 4.150 3.554 3.534 3.587 . 0 0 "[ . 1 . 2]" 1
632 1 46 LEU H 1 46 LEU QD . . 4.360 2.844 1.875 3.313 . 0 0 "[ . 1 . 2]" 1
633 1 46 LEU H 1 46 LEU HG . . 3.850 2.908 2.214 3.849 . 0 0 "[ . 1 . 2]" 1
634 1 46 LEU H 1 47 THR H . . 3.690 2.582 2.506 2.645 . 0 0 "[ . 1 . 2]" 1
635 1 46 LEU HA 1 46 LEU QD . . 3.210 2.147 1.937 2.951 . 0 0 "[ . 1 . 2]" 1
636 1 46 LEU HA 1 46 LEU HG . . 4.130 3.112 2.294 3.734 . 0 0 "[ . 1 . 2]" 1
637 1 46 LEU HA 1 51 LEU H . . 4.210 2.817 2.306 3.129 . 0 0 "[ . 1 . 2]" 1
638 1 46 LEU HA 1 51 LEU QB . . 4.080 3.001 2.682 3.416 . 0 0 "[ . 1 . 2]" 1
639 1 46 LEU QB 1 47 THR H . . 3.750 2.729 2.619 2.786 . 0 0 "[ . 1 . 2]" 1
640 1 46 LEU QB 1 47 THR HA . . 4.490 3.893 3.865 3.917 . 0 0 "[ . 1 . 2]" 1
641 1 46 LEU HB2 1 47 THR H . . 4.480 2.823 2.685 2.900 . 0 0 "[ . 1 . 2]" 1
642 1 46 LEU HB3 1 47 THR H . . 4.480 3.625 3.450 3.821 . 0 0 "[ . 1 . 2]" 1
643 1 46 LEU QD 1 52 THR HA . . 3.580 2.358 1.998 2.828 . 0 0 "[ . 1 . 2]" 1
644 1 46 LEU QD 1 53 GLY H . . 3.720 2.236 1.814 2.753 . 0 0 "[ . 1 . 2]" 1
645 1 46 LEU QD 1 53 GLY QA . . 4.630 2.766 2.512 3.200 . 0 0 "[ . 1 . 2]" 1
646 1 46 LEU QD 1 63 TYR HD1 . . 3.840 3.565 3.215 3.843 0.003 15 0 "[ . 1 . 2]" 1
647 1 46 LEU MD1 1 63 TYR HD1 . . 4.750 4.559 3.957 4.751 0.001 11 0 "[ . 1 . 2]" 1
648 1 46 LEU MD2 1 63 TYR HD1 . . 4.750 3.828 3.270 4.605 . 0 0 "[ . 1 . 2]" 1
649 1 47 THR H 1 47 THR HB . . 3.370 2.528 2.471 2.593 . 0 0 "[ . 1 . 2]" 1
650 1 47 THR H 1 47 THR MG . . 4.060 3.768 3.760 3.773 . 0 0 "[ . 1 . 2]" 1
651 1 47 THR H 1 48 GLU H . . 3.500 2.619 2.559 2.728 . 0 0 "[ . 1 . 2]" 1
652 1 47 THR HA 1 47 THR MG . . 3.140 2.360 2.247 2.482 . 0 0 "[ . 1 . 2]" 1
653 1 47 THR HB 1 48 GLU H . . 3.310 2.593 2.455 2.689 . 0 0 "[ . 1 . 2]" 1
654 1 47 THR HB 1 48 GLU QB . . 4.770 4.581 4.436 4.665 . 0 0 "[ . 1 . 2]" 1
655 1 47 THR HB 1 48 GLU QG . . 4.690 3.173 3.012 3.289 . 0 0 "[ . 1 . 2]" 1
656 1 47 THR MG 1 48 GLU H . . 3.830 3.465 3.325 3.620 . 0 0 "[ . 1 . 2]" 1
657 1 47 THR MG 1 48 GLU HA . . 4.040 3.511 3.346 3.719 . 0 0 "[ . 1 . 2]" 1
658 1 47 THR MG 1 48 GLU QB . . 5.000 4.668 4.541 4.835 . 0 0 "[ . 1 . 2]" 1
659 1 47 THR MG 1 48 GLU QG . . 4.140 3.516 3.202 4.022 . 0 0 "[ . 1 . 2]" 1
660 1 48 GLU H 1 48 GLU QB . . 3.000 2.466 2.410 2.568 . 0 0 "[ . 1 . 2]" 1
661 1 48 GLU H 1 48 GLU QG . . 3.610 2.287 2.202 2.420 . 0 0 "[ . 1 . 2]" 1
662 1 48 GLU H 1 49 GLY H . . 3.320 2.503 2.416 2.676 . 0 0 "[ . 1 . 2]" 1
663 1 48 GLU HA 1 48 GLU QG . . 3.590 2.649 2.346 3.038 . 0 0 "[ . 1 . 2]" 1
664 1 48 GLU HA 1 50 THR H . . 4.690 4.436 4.326 4.492 . 0 0 "[ . 1 . 2]" 1
665 1 48 GLU QB 1 49 GLY H . . 3.920 3.071 3.000 3.579 . 0 0 "[ . 1 . 2]" 1
666 1 48 GLU QB 1 50 THR H . . 3.590 2.637 2.565 2.991 . 0 0 "[ . 1 . 2]" 1
667 1 48 GLU QB 1 50 THR HB . . 4.410 3.643 3.396 3.807 . 0 0 "[ . 1 . 2]" 1
668 1 48 GLU QB 1 50 THR MG . . 5.300 4.544 4.312 4.644 . 0 0 "[ . 1 . 2]" 1
669 1 48 GLU QG 1 49 GLY H . . 4.390 4.182 4.030 4.280 . 0 0 "[ . 1 . 2]" 1
670 1 48 GLU QG 1 50 THR H . . 4.550 4.521 4.443 4.550 0.000 13 0 "[ . 1 . 2]" 1
671 1 49 GLY H 1 50 THR H . . 3.230 2.631 2.442 2.745 . 0 0 "[ . 1 . 2]" 1
672 1 49 GLY H 1 51 LEU H . . 4.370 3.502 3.313 4.178 . 0 0 "[ . 1 . 2]" 1
673 1 50 THR H 1 50 THR HB . . 3.170 2.694 2.500 2.799 . 0 0 "[ . 1 . 2]" 1
674 1 50 THR H 1 50 THR MG . . 3.780 3.771 3.752 3.783 0.003 17 0 "[ . 1 . 2]" 1
675 1 50 THR H 1 51 LEU H . . 3.180 2.897 2.431 3.036 . 0 0 "[ . 1 . 2]" 1
676 1 50 THR HA 1 50 THR MG . . 3.340 2.363 2.270 2.467 . 0 0 "[ . 1 . 2]" 1
677 1 50 THR HA 1 51 LEU MD2 . . 5.500 5.164 4.885 5.402 . 0 0 "[ . 1 . 2]" 1
678 1 50 THR HB 1 51 LEU H . . 3.880 2.794 2.537 2.974 . 0 0 "[ . 1 . 2]" 1
679 1 50 THR HB 1 51 LEU MD1 . . 4.680 3.934 3.725 4.252 . 0 0 "[ . 1 . 2]" 1
680 1 50 THR MG 1 51 LEU H . . 4.300 3.633 3.347 3.880 . 0 0 "[ . 1 . 2]" 1
681 1 51 LEU QB 1 51 LEU MD1 . . 3.150 2.034 1.980 2.100 . 0 0 "[ . 1 . 2]" 1
682 1 51 LEU QB 1 52 THR H . . 4.260 2.711 2.405 2.964 . 0 0 "[ . 1 . 2]" 1
683 1 51 LEU HB2 1 51 LEU MD1 . . 3.590 2.154 2.058 2.304 . 0 0 "[ . 1 . 2]" 1
684 1 51 LEU HB3 1 51 LEU MD1 . . 3.590 2.519 2.420 2.592 . 0 0 "[ . 1 . 2]" 1
685 1 51 LEU MD2 1 63 TYR HD1 . . 3.860 3.522 3.029 3.849 . 0 0 "[ . 1 . 2]" 1
686 1 51 LEU MD2 1 63 TYR HD2 . . 4.650 4.644 4.607 4.652 0.002 17 0 "[ . 1 . 2]" 1
687 1 51 LEU MD2 1 63 TYR QE . . 3.670 2.114 1.846 2.303 . 0 0 "[ . 1 . 2]" 1
688 1 51 LEU HG 1 52 THR H . . 4.900 4.703 4.582 4.866 . 0 0 "[ . 1 . 2]" 1
689 1 52 THR H 1 52 THR MG . . 4.260 3.183 1.960 3.904 . 0 0 "[ . 1 . 2]" 1
690 1 52 THR HA 1 52 THR MG . . 3.250 2.473 2.195 3.204 . 0 0 "[ . 1 . 2]" 1
691 1 52 THR HA 1 53 GLY H . . 3.390 2.150 2.146 2.160 . 0 0 "[ . 1 . 2]" 1
692 1 52 THR HB 1 53 GLY H . . 4.340 3.866 3.306 4.301 . 0 0 "[ . 1 . 2]" 1
693 1 52 THR MG 1 53 GLY H . . 4.080 3.439 2.406 4.077 . 0 0 "[ . 1 . 2]" 1
694 1 53 GLY QA 1 54 VAL MG1 . . 4.660 3.359 3.207 3.499 . 0 0 "[ . 1 . 2]" 1
695 1 53 GLY QA 1 54 VAL MG2 . . 5.120 3.562 3.421 3.698 . 0 0 "[ . 1 . 2]" 1
696 1 53 GLY QA 1 63 TYR HA . . 4.840 2.963 2.606 3.274 . 0 0 "[ . 1 . 2]" 1
697 1 53 GLY QA 1 64 ILE H . . 4.860 3.569 2.881 4.012 . 0 0 "[ . 1 . 2]" 1
698 1 53 GLY QA 1 64 ILE MD . . 4.130 3.637 2.387 4.078 . 0 0 "[ . 1 . 2]" 1
699 1 53 GLY QA 1 64 ILE HG13 . . 4.350 3.956 2.895 4.343 . 0 0 "[ . 1 . 2]" 1
700 1 54 VAL H 1 54 VAL MG2 . . 3.870 2.096 1.932 2.300 . 0 0 "[ . 1 . 2]" 1
701 1 54 VAL H 1 62 ILE H . . 4.560 3.516 2.838 4.256 . 0 0 "[ . 1 . 2]" 1
702 1 54 VAL H 1 62 ILE HB . . 4.660 3.310 2.765 3.805 . 0 0 "[ . 1 . 2]" 1
703 1 54 VAL HA 1 54 VAL MG1 . . 3.680 2.292 2.191 2.414 . 0 0 "[ . 1 . 2]" 1
704 1 54 VAL HA 1 55 ILE H . . 3.370 2.269 2.199 2.349 . 0 0 "[ . 1 . 2]" 1
705 1 54 VAL HA 1 55 ILE HB . . 4.690 4.560 4.530 4.604 . 0 0 "[ . 1 . 2]" 1
706 1 54 VAL HB 1 55 ILE H . . 4.060 2.744 2.513 2.985 . 0 0 "[ . 1 . 2]" 1
707 1 54 VAL HB 1 62 ILE HB . . 5.200 5.127 4.625 5.201 0.001 4 0 "[ . 1 . 2]" 1
708 1 54 VAL MG1 1 55 ILE H . . 4.400 3.755 3.590 3.870 . 0 0 "[ . 1 . 2]" 1
709 1 54 VAL MG2 1 55 ILE H . . 4.710 3.729 3.541 3.902 . 0 0 "[ . 1 . 2]" 1
710 1 54 VAL MG2 1 62 ILE HB . . 3.640 2.440 2.036 2.795 . 0 0 "[ . 1 . 2]" 1
711 1 55 ILE H 1 55 ILE HB . . 3.570 2.612 2.550 2.694 . 0 0 "[ . 1 . 2]" 1
712 1 55 ILE H 1 55 ILE QG . . 4.470 2.800 2.643 2.900 . 0 0 "[ . 1 . 2]" 1
713 1 55 ILE H 1 55 ILE MG . . 4.380 3.831 3.804 3.864 . 0 0 "[ . 1 . 2]" 1
714 1 55 ILE HA 1 55 ILE MG . . 3.650 2.393 2.315 2.472 . 0 0 "[ . 1 . 2]" 1
715 1 55 ILE HA 1 61 PHE HA . . 4.200 3.513 3.215 3.901 . 0 0 "[ . 1 . 2]" 1
716 1 55 ILE HA 1 61 PHE QD . . 4.500 4.300 3.963 4.483 . 0 0 "[ . 1 . 2]" 1
717 1 55 ILE HB 1 55 ILE MD . . 3.180 2.334 2.176 2.409 . 0 0 "[ . 1 . 2]" 1
718 1 55 ILE MD 1 61 PHE QD . . 4.070 3.503 2.441 4.045 . 0 0 "[ . 1 . 2]" 1
719 1 55 ILE QG 1 61 PHE QD . . 3.510 2.669 1.989 3.054 . 0 0 "[ . 1 . 2]" 1
720 1 55 ILE HG12 1 61 PHE QD . . 4.310 2.838 2.022 3.337 . 0 0 "[ . 1 . 2]" 1
721 1 55 ILE HG13 1 61 PHE QD . . 4.310 3.317 2.869 3.874 . 0 0 "[ . 1 . 2]" 1
722 1 55 ILE MG 1 59 GLY HA2 . . 4.780 2.757 2.205 3.449 . 0 0 "[ . 1 . 2]" 1
723 1 55 ILE MG 1 59 GLY QA . . 4.110 2.716 2.186 3.374 . 0 0 "[ . 1 . 2]" 1
724 1 55 ILE MG 1 59 GLY HA3 . . 4.780 4.151 3.591 4.780 . 0 0 "[ . 1 . 2]" 1
725 1 56 ASP H 1 56 ASP HB2 . . 3.980 2.847 2.245 3.670 . 0 0 "[ . 1 . 2]" 1
726 1 56 ASP H 1 56 ASP QB . . 3.410 2.502 2.220 2.872 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASP H 1 56 ASP HB3 . . 3.980 3.082 2.607 3.680 . 0 0 "[ . 1 . 2]" 1
728 1 56 ASP H 1 58 ARG H . . 4.480 4.158 4.002 4.451 . 0 0 "[ . 1 . 2]" 1
729 1 56 ASP QB 1 57 ASP H . . 3.870 2.466 2.076 3.140 . 0 0 "[ . 1 . 2]" 1
730 1 56 ASP QB 1 58 ARG H . . 4.100 2.449 2.195 2.862 . 0 0 "[ . 1 . 2]" 1
731 1 56 ASP QB 1 62 ILE MD . . 3.870 3.398 3.021 3.858 . 0 0 "[ . 1 . 2]" 1
732 1 56 ASP HB2 1 57 ASP H . . 4.620 3.179 2.107 3.853 . 0 0 "[ . 1 . 2]" 1
733 1 56 ASP HB2 1 58 ARG H . . 4.670 3.156 2.207 4.140 . 0 0 "[ . 1 . 2]" 1
734 1 56 ASP HB2 1 62 ILE MD . . 4.670 3.889 3.099 4.667 . 0 0 "[ . 1 . 2]" 1
735 1 56 ASP HB3 1 57 ASP H . . 4.620 2.928 2.095 3.686 . 0 0 "[ . 1 . 2]" 1
736 1 56 ASP HB3 1 58 ARG H . . 4.670 3.034 2.275 4.257 . 0 0 "[ . 1 . 2]" 1
737 1 56 ASP HB3 1 62 ILE MD . . 4.670 4.167 3.222 4.656 . 0 0 "[ . 1 . 2]" 1
738 1 58 ARG H 1 58 ARG HB2 . . 4.140 2.436 2.200 2.758 . 0 0 "[ . 1 . 2]" 1
739 1 58 ARG H 1 58 ARG QB . . 3.610 2.332 2.178 2.462 . 0 0 "[ . 1 . 2]" 1
740 1 58 ARG H 1 58 ARG HB3 . . 4.140 3.222 2.672 3.673 . 0 0 "[ . 1 . 2]" 1
741 1 58 ARG H 1 58 ARG HG2 . . 5.130 3.928 2.570 4.756 . 0 0 "[ . 1 . 2]" 1
742 1 58 ARG H 1 58 ARG QG . . 4.440 3.483 2.503 4.132 . 0 0 "[ . 1 . 2]" 1
743 1 58 ARG H 1 58 ARG HG3 . . 5.130 4.084 2.542 4.704 . 0 0 "[ . 1 . 2]" 1
744 1 58 ARG H 1 59 GLY H . . 3.540 2.504 2.027 2.774 . 0 0 "[ . 1 . 2]" 1
745 1 58 ARG HA 1 58 ARG QD . . 4.100 2.992 2.064 4.050 . 0 0 "[ . 1 . 2]" 1
746 1 58 ARG QB 1 58 ARG QD . . 3.330 2.233 2.043 2.646 . 0 0 "[ . 1 . 2]" 1
747 1 58 ARG QB 1 59 GLY QA . . 5.140 4.320 4.092 4.509 . 0 0 "[ . 1 . 2]" 1
748 1 59 GLY H 1 60 LYS H . . 3.830 2.726 2.335 3.044 . 0 0 "[ . 1 . 2]" 1
749 1 59 GLY QA 1 60 LYS QB . . 5.180 4.416 4.136 4.596 . 0 0 "[ . 1 . 2]" 1
750 1 60 LYS H 1 60 LYS QB . . 3.680 2.442 2.281 2.957 . 0 0 "[ . 1 . 2]" 1
751 1 60 LYS H 1 60 LYS QG . . 4.560 3.385 2.022 4.154 . 0 0 "[ . 1 . 2]" 1
752 1 60 LYS H 1 61 PHE H . . 4.640 4.521 4.451 4.583 . 0 0 "[ . 1 . 2]" 1
753 1 60 LYS QB 1 61 PHE H . . 3.950 3.009 2.493 3.557 . 0 0 "[ . 1 . 2]" 1
754 1 60 LYS HB2 1 61 PHE H . . 4.560 3.893 2.721 4.233 . 0 0 "[ . 1 . 2]" 1
755 1 60 LYS HB3 1 61 PHE H . . 4.560 3.283 2.524 4.003 . 0 0 "[ . 1 . 2]" 1
756 1 61 PHE H 1 61 PHE HB2 . . 4.140 2.859 2.691 3.014 . 0 0 "[ . 1 . 2]" 1
757 1 61 PHE H 1 61 PHE HB3 . . 4.070 2.594 2.449 2.729 . 0 0 "[ . 1 . 2]" 1
758 1 61 PHE HA 1 61 PHE QD . . 4.210 2.196 2.022 2.526 . 0 0 "[ . 1 . 2]" 1
759 1 61 PHE QD 1 62 ILE H . . 4.600 2.963 2.462 3.584 . 0 0 "[ . 1 . 2]" 1
760 1 62 ILE H 1 62 ILE HB . . 3.860 2.677 2.606 2.759 . 0 0 "[ . 1 . 2]" 1
761 1 62 ILE H 1 62 ILE MD . . 4.590 3.844 3.724 3.994 . 0 0 "[ . 1 . 2]" 1
762 1 62 ILE H 1 62 ILE QG . . 4.340 2.766 2.596 2.904 . 0 0 "[ . 1 . 2]" 1
763 1 62 ILE H 1 62 ILE MG . . 4.430 3.863 3.837 3.888 . 0 0 "[ . 1 . 2]" 1
764 1 62 ILE HA 1 62 ILE MD . . 4.340 3.887 3.865 3.915 . 0 0 "[ . 1 . 2]" 1
765 1 62 ILE HA 1 62 ILE MG . . 3.650 2.358 2.253 2.462 . 0 0 "[ . 1 . 2]" 1
766 1 62 ILE HA 1 63 TYR H . . 3.530 2.142 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
767 1 62 ILE HA 1 63 TYR QB . . 4.680 4.102 4.076 4.129 . 0 0 "[ . 1 . 2]" 1
768 1 62 ILE HB 1 62 ILE MD . . 3.420 2.224 2.172 2.291 . 0 0 "[ . 1 . 2]" 1
769 1 62 ILE MG 1 63 TYR H . . 4.120 2.838 2.676 2.990 . 0 0 "[ . 1 . 2]" 1
770 1 63 TYR H 1 63 TYR QB . . 3.510 2.403 2.357 2.442 . 0 0 "[ . 1 . 2]" 1
771 1 63 TYR HA 1 63 TYR HD1 . . 4.530 2.534 2.294 2.890 . 0 0 "[ . 1 . 2]" 1
772 1 63 TYR HA 1 63 TYR HD2 . . 4.370 4.253 3.980 4.370 . 0 0 "[ . 1 . 2]" 1
773 1 63 TYR QB 1 63 TYR HD2 . . 3.250 2.288 2.265 2.358 . 0 0 "[ . 1 . 2]" 1
774 1 63 TYR HD2 1 65 THR MG . . 4.350 3.813 2.543 4.350 0.000 8 0 "[ . 1 . 2]" 1
775 1 63 TYR QE 1 65 THR HA . . 4.830 4.096 2.733 4.784 . 0 0 "[ . 1 . 2]" 1
776 1 63 TYR QE 1 65 THR HB . . 4.870 3.479 2.005 4.869 . 0 0 "[ . 1 . 2]" 1
777 1 63 TYR QE 1 65 THR MG . . 4.160 3.663 2.992 4.160 . 0 0 "[ . 1 . 2]" 1
778 1 64 ILE H 1 64 ILE HG13 . . 4.570 2.609 2.256 2.902 . 0 0 "[ . 1 . 2]" 1
779 1 64 ILE HA 1 64 ILE MD . . 4.070 3.888 3.870 3.927 . 0 0 "[ . 1 . 2]" 1
780 1 64 ILE HA 1 64 ILE HG12 . . 4.110 2.699 2.631 2.773 . 0 0 "[ . 1 . 2]" 1
781 1 64 ILE HA 1 64 ILE HG13 . . 4.130 2.859 2.814 2.945 . 0 0 "[ . 1 . 2]" 1
782 1 64 ILE HA 1 64 ILE MG . . 3.590 2.342 2.238 2.440 . 0 0 "[ . 1 . 2]" 1
783 1 64 ILE HA 1 65 THR H . . 3.010 2.200 2.138 2.347 . 0 0 "[ . 1 . 2]" 1
784 1 64 ILE MG 1 65 THR H . . 3.870 2.943 2.002 3.653 . 0 0 "[ . 1 . 2]" 1
785 1 65 THR H 1 65 THR HB . . 3.550 2.817 2.447 3.346 . 0 0 "[ . 1 . 2]" 1
786 1 65 THR H 1 65 THR MG . . 3.980 3.145 2.376 3.941 . 0 0 "[ . 1 . 2]" 1
787 1 65 THR HA 1 65 THR MG . . 3.580 2.846 2.214 3.168 . 0 0 "[ . 1 . 2]" 1
788 1 65 THR HA 1 66 PRO HD2 . . 3.240 2.198 2.152 2.213 . 0 0 "[ . 1 . 2]" 1
789 1 65 THR HA 1 66 PRO HD3 . . 3.290 2.255 2.254 2.256 . 0 0 "[ . 1 . 2]" 1
790 1 65 THR HB 1 66 PRO HD2 . . 4.070 3.858 3.739 3.945 . 0 0 "[ . 1 . 2]" 1
791 1 65 THR MG 1 66 PRO HA . . 4.420 4.039 3.918 4.422 0.002 16 0 "[ . 1 . 2]" 1
792 1 65 THR MG 1 66 PRO HD2 . . 3.630 2.700 1.805 3.426 . 0 0 "[ . 1 . 2]" 1
793 1 65 THR MG 1 66 PRO HD3 . . 4.360 3.801 3.127 4.335 . 0 0 "[ . 1 . 2]" 1
794 1 66 PRO HA 1 67 SER H . . 2.740 2.240 2.151 2.629 . 0 0 "[ . 1 . 2]" 1
795 1 66 PRO QB 1 67 SER H . . 3.760 3.144 2.066 3.690 . 0 0 "[ . 1 . 2]" 1
796 1 67 SER H 1 67 SER QB . . 3.290 2.732 2.245 3.244 . 0 0 "[ . 1 . 2]" 1
797 1 67 SER QB 1 68 GLY H . . 3.800 3.242 2.349 3.801 0.001 15 0 "[ . 1 . 2]" 1
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