NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414981 |
2d7p   |
10331 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2d7p
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 1604
_Distance_constraint_stats_list.Viol_count 286
_Distance_constraint_stats_list.Viol_total 32.897
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0058
_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 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.024 0.015 11 0 "[ . 1 . 2]"
1 11 ALA 0.018 0.015 11 0 "[ . 1 . 2]"
1 12 ARG 0.026 0.019 5 0 "[ . 1 . 2]"
1 13 ARG 0.036 0.019 5 0 "[ . 1 . 2]"
1 14 LEU 0.011 0.005 19 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 1 0 "[ . 1 . 2]"
1 16 VAL 0.004 0.002 16 0 "[ . 1 . 2]"
1 17 THR 0.009 0.004 5 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.014 0.004 2 0 "[ . 1 . 2]"
1 20 GLN 0.010 0.004 2 0 "[ . 1 . 2]"
1 21 GLU 0.010 0.009 18 0 "[ . 1 . 2]"
1 22 THR 0.034 0.034 9 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.064 0.013 18 0 "[ . 1 . 2]"
1 25 LYS 0.012 0.004 15 0 "[ . 1 . 2]"
1 26 VAL 0.007 0.004 6 0 "[ . 1 . 2]"
1 27 ASN 0.003 0.003 9 0 "[ . 1 . 2]"
1 28 GLN 0.310 0.060 2 0 "[ . 1 . 2]"
1 29 PRO 0.155 0.050 11 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.009 0.003 8 0 "[ . 1 . 2]"
1 32 PHE 0.052 0.013 18 0 "[ . 1 . 2]"
1 33 ALA 0.018 0.010 8 0 "[ . 1 . 2]"
1 34 VAL 0.002 0.002 8 0 "[ . 1 . 2]"
1 35 GLN 0.002 0.002 3 0 "[ . 1 . 2]"
1 36 LEU 0.006 0.003 2 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.002 0.001 13 0 "[ . 1 . 2]"
1 40 ARG 0.061 0.028 12 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.022 0.017 5 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 18 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 17 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.022 0.014 9 0 "[ . 1 . 2]"
1 48 HIS 0.005 0.002 1 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.004 0.003 9 0 "[ . 1 . 2]"
1 51 SER 0.003 0.003 9 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.026 0.022 9 0 "[ . 1 . 2]"
1 54 VAL 0.029 0.022 9 0 "[ . 1 . 2]"
1 55 GLU 0.007 0.004 9 0 "[ . 1 . 2]"
1 56 GLU 0.003 0.003 1 0 "[ . 1 . 2]"
1 57 CYS 0.001 0.001 1 0 "[ . 1 . 2]"
1 58 TYR 0.009 0.004 13 0 "[ . 1 . 2]"
1 59 VAL 0.004 0.001 8 0 "[ . 1 . 2]"
1 60 SER 0.004 0.001 8 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.043 0.031 5 0 "[ . 1 . 2]"
1 65 ASP 0.043 0.031 5 0 "[ . 1 . 2]"
1 66 LYS 0.058 0.052 7 0 "[ . 1 . 2]"
1 67 HIS 0.004 0.002 1 0 "[ . 1 . 2]"
1 68 THR 0.022 0.013 6 0 "[ . 1 . 2]"
1 69 ILE 0.007 0.003 8 0 "[ . 1 . 2]"
1 70 ARG 0.034 0.013 6 0 "[ . 1 . 2]"
1 71 PHE 0.031 0.009 18 0 "[ . 1 . 2]"
1 72 ILE 0.050 0.005 2 0 "[ . 1 . 2]"
1 73 PRO 0.012 0.007 13 0 "[ . 1 . 2]"
1 74 HIS 0.002 0.002 5 0 "[ . 1 . 2]"
1 75 GLU 0.038 0.032 6 0 "[ . 1 . 2]"
1 76 ASN 0.025 0.007 13 0 "[ . 1 . 2]"
1 77 GLY 0.005 0.003 18 0 "[ . 1 . 2]"
1 78 VAL 0.006 0.004 20 0 "[ . 1 . 2]"
1 79 HIS 0.014 0.003 20 0 "[ . 1 . 2]"
1 80 SER 0.015 0.004 9 0 "[ . 1 . 2]"
1 81 ILE 0.025 0.004 9 0 "[ . 1 . 2]"
1 82 ASP 0.011 0.003 1 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.002 0.001 5 0 "[ . 1 . 2]"
1 85 PHE 0.016 0.012 12 0 "[ . 1 . 2]"
1 86 ASN 0.003 0.003 12 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.001 0.001 5 0 "[ . 1 . 2]"
1 89 HIS 0.024 0.004 10 0 "[ . 1 . 2]"
1 90 ILE 0.383 0.050 12 0 "[ . 1 . 2]"
1 91 PRO 0.525 0.050 12 0 "[ . 1 . 2]"
1 92 GLY 0.222 0.019 20 0 "[ . 1 . 2]"
1 93 SER 0.073 0.008 14 0 "[ . 1 . 2]"
1 94 PRO 0.015 0.004 10 0 "[ . 1 . 2]"
1 95 PHE 0.014 0.004 20 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.026 0.009 18 0 "[ . 1 . 2]"
1 98 ARG 0.005 0.002 14 0 "[ . 1 . 2]"
1 99 VAL 0.032 0.008 18 0 "[ . 1 . 2]"
1 100 GLY 0.006 0.002 19 0 "[ . 1 . 2]"
1 101 GLU 0.001 0.001 2 0 "[ . 1 . 2]"
1 102 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ASP H 1 10 ASP H . . 4.320 3.932 2.121 4.318 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASP QB 1 10 ASP H . . 4.410 3.460 2.489 3.979 . 0 0 "[ . 1 . 2]" 1
3 1 9 ASP QB 1 11 ALA H . . 4.970 3.541 2.353 4.732 . 0 0 "[ . 1 . 2]" 1
4 1 10 ASP H 1 10 ASP HB2 . . 3.710 2.590 2.246 2.824 . 0 0 "[ . 1 . 2]" 1
5 1 10 ASP H 1 10 ASP QB . . 3.070 2.535 2.223 2.742 . 0 0 "[ . 1 . 2]" 1
6 1 10 ASP H 1 10 ASP HB3 . . 3.710 3.640 3.535 3.715 0.005 17 0 "[ . 1 . 2]" 1
7 1 10 ASP H 1 11 ALA H . . 3.690 2.431 1.948 3.137 . 0 0 "[ . 1 . 2]" 1
8 1 10 ASP HA 1 11 ALA H . . 3.520 3.285 2.795 3.494 . 0 0 "[ . 1 . 2]" 1
9 1 10 ASP HA 1 11 ALA HA . . 5.270 4.797 4.611 4.896 . 0 0 "[ . 1 . 2]" 1
10 1 10 ASP HA 1 12 ARG H . . 4.180 3.478 3.083 3.854 . 0 0 "[ . 1 . 2]" 1
11 1 10 ASP HA 1 12 ARG QG . . 5.030 3.580 2.840 5.016 . 0 0 "[ . 1 . 2]" 1
12 1 10 ASP HA 1 13 ARG H . . 4.330 3.727 3.473 4.002 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASP HA 1 13 ARG HD2 . . 4.860 2.871 2.215 3.876 . 0 0 "[ . 1 . 2]" 1
14 1 10 ASP HA 1 13 ARG QD . . 4.150 2.812 2.204 3.457 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP HA 1 13 ARG HD3 . . 4.860 4.373 2.655 4.837 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASP HA 1 13 ARG QG . . 5.180 3.325 2.903 4.218 . 0 0 "[ . 1 . 2]" 1
17 1 10 ASP QB 1 11 ALA H . . 3.840 3.213 2.781 3.855 0.015 11 0 "[ . 1 . 2]" 1
18 1 10 ASP QB 1 12 ARG H . . 5.340 4.536 4.310 4.897 . 0 0 "[ . 1 . 2]" 1
19 1 10 ASP QB 1 13 ARG H . . 4.460 4.325 3.966 4.461 0.001 5 0 "[ . 1 . 2]" 1
20 1 10 ASP QB 1 13 ARG QD . . 3.990 2.586 2.184 3.083 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASP QB 1 13 ARG QG . . 4.480 4.073 3.823 4.413 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP HB2 1 11 ALA H . . 4.540 3.377 2.837 4.296 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASP HB2 1 39 ALA MB . . 3.740 2.824 2.125 3.267 . 0 0 "[ . 1 . 2]" 1
24 1 10 ASP HB2 1 40 ARG H . . 4.620 3.792 2.519 4.392 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASP HB2 1 85 PHE QE . . 4.510 3.014 2.293 3.759 . 0 0 "[ . 1 . 2]" 1
26 1 10 ASP HB3 1 11 ALA H . . 4.540 4.177 3.871 4.449 . 0 0 "[ . 1 . 2]" 1
27 1 10 ASP HB3 1 39 ALA MB . . 3.740 2.533 2.053 3.071 . 0 0 "[ . 1 . 2]" 1
28 1 10 ASP HB3 1 40 ARG H . . 4.620 4.035 3.573 4.550 . 0 0 "[ . 1 . 2]" 1
29 1 10 ASP HB3 1 85 PHE QE . . 4.510 3.879 3.230 4.276 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA H 1 11 ALA MB . . 2.960 2.071 2.024 2.288 . 0 0 "[ . 1 . 2]" 1
31 1 11 ALA H 1 12 ARG H . . 3.550 2.612 2.333 2.794 . 0 0 "[ . 1 . 2]" 1
32 1 11 ALA H 1 14 LEU MD1 . . 4.780 4.362 4.169 4.534 . 0 0 "[ . 1 . 2]" 1
33 1 11 ALA H 1 14 LEU HG . . 4.770 4.719 4.585 4.770 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA H 1 85 PHE QD . . 4.230 3.577 3.077 4.007 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA HA 1 13 ARG H . . 4.430 3.626 3.388 3.986 . 0 0 "[ . 1 . 2]" 1
36 1 11 ALA HA 1 14 LEU H . . 4.650 3.346 3.094 3.608 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA HA 1 14 LEU MD1 . . 4.160 2.087 1.902 2.244 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 14 LEU MD2 . . 3.530 3.364 3.228 3.475 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA HA 1 85 PHE HB2 . . 4.460 4.039 3.660 4.381 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA HA 1 85 PHE QB . . 3.730 3.326 2.979 3.527 . 0 0 "[ . 1 . 2]" 1
41 1 11 ALA HA 1 85 PHE HB3 . . 4.460 3.547 3.154 3.751 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA HA 1 85 PHE QD . . 3.650 2.886 2.465 3.609 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA HA 1 90 ILE HA . . 5.500 4.901 4.616 5.254 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA HA 1 90 ILE MG . . 4.170 3.572 3.145 3.906 . 0 0 "[ . 1 . 2]" 1
45 1 11 ALA MB 1 12 ARG H . . 3.670 3.010 2.787 3.276 . 0 0 "[ . 1 . 2]" 1
46 1 11 ALA MB 1 12 ARG HA . . 4.320 3.833 3.748 3.973 . 0 0 "[ . 1 . 2]" 1
47 1 11 ALA MB 1 14 LEU MD1 . . 3.300 2.181 2.065 2.312 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA MB 1 14 LEU MD2 . . 4.280 4.222 4.097 4.282 0.002 5 0 "[ . 1 . 2]" 1
49 1 11 ALA MB 1 85 PHE H . . 4.300 3.942 3.524 4.229 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA MB 1 85 PHE HB2 . . 4.010 3.027 2.691 3.507 . 0 0 "[ . 1 . 2]" 1
51 1 11 ALA MB 1 85 PHE QB . . 3.320 2.102 1.948 2.400 . 0 0 "[ . 1 . 2]" 1
52 1 11 ALA MB 1 85 PHE HB3 . . 4.010 2.149 1.978 2.444 . 0 0 "[ . 1 . 2]" 1
53 1 11 ALA MB 1 85 PHE QD . . 3.580 2.680 2.334 3.041 . 0 0 "[ . 1 . 2]" 1
54 1 11 ALA MB 1 88 ALA MB . . 3.280 2.549 2.062 3.125 . 0 0 "[ . 1 . 2]" 1
55 1 11 ALA MB 1 90 ILE HA . . 3.460 2.581 2.374 2.912 . 0 0 "[ . 1 . 2]" 1
56 1 11 ALA MB 1 90 ILE HB . . 4.530 3.825 3.456 4.073 . 0 0 "[ . 1 . 2]" 1
57 1 11 ALA MB 1 90 ILE MG . . 3.150 2.365 2.067 2.693 . 0 0 "[ . 1 . 2]" 1
58 1 11 ALA MB 1 91 PRO HD2 . . 4.430 3.559 2.834 3.993 . 0 0 "[ . 1 . 2]" 1
59 1 11 ALA MB 1 91 PRO HD3 . . 4.190 3.200 2.485 3.704 . 0 0 "[ . 1 . 2]" 1
60 1 12 ARG H 1 12 ARG QB . . 3.280 2.460 2.179 2.719 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG H 1 12 ARG HD2 . . 5.190 4.348 3.682 5.008 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG H 1 12 ARG HD3 . . 5.190 4.185 2.897 4.890 . 0 0 "[ . 1 . 2]" 1
63 1 12 ARG H 1 12 ARG QG . . 3.330 2.242 1.890 2.908 . 0 0 "[ . 1 . 2]" 1
64 1 12 ARG HA 1 12 ARG QG . . 3.590 3.181 2.634 3.438 . 0 0 "[ . 1 . 2]" 1
65 1 12 ARG HA 1 14 LEU H . . 4.310 3.878 3.543 4.267 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG HA 1 91 PRO HB2 . . 4.870 4.697 4.465 4.837 . 0 0 "[ . 1 . 2]" 1
67 1 12 ARG HA 1 91 PRO HB3 . . 4.400 4.189 3.990 4.363 . 0 0 "[ . 1 . 2]" 1
68 1 12 ARG HA 1 91 PRO HD2 . . 4.170 2.930 2.516 3.327 . 0 0 "[ . 1 . 2]" 1
69 1 12 ARG HA 1 91 PRO HG2 . . 3.660 3.156 2.864 3.424 . 0 0 "[ . 1 . 2]" 1
70 1 12 ARG HA 1 91 PRO HG3 . . 3.660 2.078 1.998 2.231 . 0 0 "[ . 1 . 2]" 1
71 1 12 ARG QB 1 12 ARG HD2 . . 3.550 2.699 2.130 3.388 . 0 0 "[ . 1 . 2]" 1
72 1 12 ARG QB 1 12 ARG HD3 . . 3.550 2.688 2.045 3.280 . 0 0 "[ . 1 . 2]" 1
73 1 12 ARG QB 1 13 ARG H . . 4.110 3.430 2.746 3.799 . 0 0 "[ . 1 . 2]" 1
74 1 12 ARG HD2 1 13 ARG H . . 5.500 5.070 3.046 5.519 0.019 5 0 "[ . 1 . 2]" 1
75 1 12 ARG HD3 1 13 ARG H . . 5.500 4.969 3.428 5.478 . 0 0 "[ . 1 . 2]" 1
76 1 13 ARG H 1 13 ARG HB2 . . 3.140 2.494 2.298 2.586 . 0 0 "[ . 1 . 2]" 1
77 1 13 ARG H 1 13 ARG HB3 . . 3.750 3.618 3.564 3.662 . 0 0 "[ . 1 . 2]" 1
78 1 13 ARG H 1 13 ARG HD2 . . 4.740 3.744 3.339 4.303 . 0 0 "[ . 1 . 2]" 1
79 1 13 ARG H 1 13 ARG QD . . 4.150 3.516 3.210 3.817 . 0 0 "[ . 1 . 2]" 1
80 1 13 ARG H 1 13 ARG HD3 . . 4.740 4.400 3.469 4.718 . 0 0 "[ . 1 . 2]" 1
81 1 13 ARG H 1 13 ARG QG . . 3.010 2.356 2.034 2.771 . 0 0 "[ . 1 . 2]" 1
82 1 13 ARG H 1 14 LEU H . . 3.200 2.374 2.157 2.564 . 0 0 "[ . 1 . 2]" 1
83 1 13 ARG H 1 14 LEU MD2 . . 5.070 4.470 3.990 4.766 . 0 0 "[ . 1 . 2]" 1
84 1 13 ARG HA 1 13 ARG HD2 . . 4.810 4.715 4.558 4.817 0.007 11 0 "[ . 1 . 2]" 1
85 1 13 ARG HA 1 13 ARG QD . . 4.190 4.093 4.034 4.137 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG HA 1 13 ARG HD3 . . 4.810 4.498 4.387 4.661 . 0 0 "[ . 1 . 2]" 1
87 1 13 ARG HA 1 13 ARG QG . . 3.130 2.504 2.369 2.569 . 0 0 "[ . 1 . 2]" 1
88 1 13 ARG HB2 1 13 ARG HD2 . . 3.420 2.687 2.169 3.412 . 0 0 "[ . 1 . 2]" 1
89 1 13 ARG HB2 1 13 ARG HD3 . . 3.420 2.548 2.080 3.049 . 0 0 "[ . 1 . 2]" 1
90 1 13 ARG HB2 1 14 LEU H . . 3.970 3.140 2.717 3.459 . 0 0 "[ . 1 . 2]" 1
91 1 13 ARG HB2 1 37 ASN HB2 . . 4.940 3.388 3.038 3.805 . 0 0 "[ . 1 . 2]" 1
92 1 13 ARG HB2 1 37 ASN QB . . 4.320 3.292 2.951 3.667 . 0 0 "[ . 1 . 2]" 1
93 1 13 ARG HB2 1 37 ASN HB3 . . 4.940 4.517 3.759 4.879 . 0 0 "[ . 1 . 2]" 1
94 1 13 ARG HB2 1 39 ALA MB . . 4.350 2.665 2.429 2.933 . 0 0 "[ . 1 . 2]" 1
95 1 13 ARG HB3 1 13 ARG HD2 . . 4.160 3.501 3.073 3.952 . 0 0 "[ . 1 . 2]" 1
96 1 13 ARG HB3 1 13 ARG QD . . 3.600 2.551 2.348 2.979 . 0 0 "[ . 1 . 2]" 1
97 1 13 ARG HB3 1 13 ARG HD3 . . 4.160 2.627 2.395 3.082 . 0 0 "[ . 1 . 2]" 1
98 1 13 ARG HB3 1 14 LEU H . . 4.560 4.054 3.664 4.295 . 0 0 "[ . 1 . 2]" 1
99 1 13 ARG HB3 1 37 ASN HB2 . . 4.670 2.127 1.999 2.407 . 0 0 "[ . 1 . 2]" 1
100 1 13 ARG HB3 1 37 ASN QB . . 3.980 2.061 1.915 2.342 . 0 0 "[ . 1 . 2]" 1
101 1 13 ARG HB3 1 37 ASN HB3 . . 4.670 2.909 2.102 3.262 . 0 0 "[ . 1 . 2]" 1
102 1 13 ARG HB3 1 39 ALA MB . . 4.200 3.876 3.418 4.186 . 0 0 "[ . 1 . 2]" 1
103 1 13 ARG QD 1 39 ALA MB . . 3.610 3.061 2.498 3.515 . 0 0 "[ . 1 . 2]" 1
104 1 13 ARG HD2 1 39 ALA MB . . 4.180 3.476 2.534 4.168 . 0 0 "[ . 1 . 2]" 1
105 1 13 ARG HD3 1 39 ALA MB . . 4.180 3.597 2.539 4.118 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU H 1 14 LEU HB2 . . 3.170 2.612 2.497 2.736 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU H 1 14 LEU HB3 . . 3.790 3.590 3.570 3.633 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU H 1 14 LEU MD1 . . 4.210 3.504 3.384 3.652 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU H 1 14 LEU MD2 . . 3.380 3.191 2.780 3.381 0.001 17 0 "[ . 1 . 2]" 1
110 1 14 LEU H 1 14 LEU HG . . 3.620 2.064 1.903 2.302 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU H 1 15 THR H . . 4.670 4.576 4.425 4.624 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU H 1 15 THR MG . . 5.370 4.686 4.154 5.323 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU H 1 90 ILE MG . . 5.500 4.448 3.953 4.855 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 91 PRO HD2 . . 4.980 4.555 4.299 4.892 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HA 1 14 LEU MD1 . . 4.450 3.921 3.868 3.967 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU HA 1 14 LEU MD2 . . 3.640 2.271 2.059 2.464 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 14 LEU HG . . 3.830 3.185 3.085 3.353 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 15 THR H . . 2.920 2.190 2.138 2.263 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 34 VAL MG1 . . 4.570 3.660 3.237 3.901 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HA 1 36 LEU HA . . 4.220 2.713 2.382 3.130 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU HA 1 37 ASN QD . . 3.970 3.157 2.813 3.464 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU HB2 1 14 LEU MD1 . . 3.390 2.298 2.180 2.391 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HB2 1 14 LEU MD2 . . 3.530 3.176 3.162 3.189 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HB2 1 15 THR H . . 4.250 3.982 3.709 4.239 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HB2 1 34 VAL MG1 . . 4.150 4.037 3.852 4.147 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HB2 1 90 ILE HB . . 4.200 3.115 2.817 3.393 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU HB2 1 90 ILE MD . . 3.690 3.374 3.177 3.568 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HB2 1 90 ILE MG . . 4.530 2.589 2.010 3.072 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HB2 1 91 PRO HD2 . . 4.660 3.735 3.375 3.978 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU HB2 1 91 PRO HD3 . . 5.380 5.179 4.857 5.385 0.005 19 0 "[ . 1 . 2]" 1
131 1 14 LEU HB3 1 14 LEU MD1 . . 3.320 2.382 2.270 2.493 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU HB3 1 15 THR H . . 3.940 3.092 2.813 3.500 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HB3 1 34 VAL MG1 . . 3.680 2.714 2.578 2.870 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HB3 1 36 LEU HA . . 4.640 3.993 3.640 4.381 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU HB3 1 43 ILE MD . . 4.180 3.531 3.144 4.179 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HB3 1 90 ILE MD . . 4.250 3.814 3.448 4.134 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HB3 1 90 ILE MG . . 3.670 3.234 2.800 3.614 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU MD1 1 34 VAL MG1 . . 3.680 3.472 3.252 3.647 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU MD1 1 36 LEU HA . . 4.490 4.377 4.258 4.467 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU MD1 1 36 LEU MD2 . . 3.760 3.525 3.174 3.757 . 0 0 "[ . 1 . 2]" 1
141 1 14 LEU MD1 1 39 ALA MB . . 4.150 3.479 3.147 3.734 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU MD1 1 43 ILE MD . . 3.350 2.237 1.923 2.593 . 0 0 "[ . 1 . 2]" 1
143 1 14 LEU MD1 1 85 PHE HA . . 4.880 3.914 3.610 4.144 . 0 0 "[ . 1 . 2]" 1
144 1 14 LEU MD1 1 85 PHE HB2 . . 3.870 2.037 1.854 2.226 . 0 0 "[ . 1 . 2]" 1
145 1 14 LEU MD1 1 85 PHE QB . . 3.280 1.966 1.811 2.122 . 0 0 "[ . 1 . 2]" 1
146 1 14 LEU MD1 1 85 PHE HB3 . . 3.870 2.623 2.396 2.890 . 0 0 "[ . 1 . 2]" 1
147 1 14 LEU MD1 1 85 PHE QD . . 3.580 2.564 2.037 2.820 . 0 0 "[ . 1 . 2]" 1
148 1 14 LEU MD1 1 85 PHE QE . . 4.430 3.606 3.107 4.059 . 0 0 "[ . 1 . 2]" 1
149 1 14 LEU MD1 1 90 ILE HA . . 4.740 3.896 3.431 4.319 . 0 0 "[ . 1 . 2]" 1
150 1 14 LEU MD1 1 90 ILE HB . . 4.400 3.431 2.976 3.823 . 0 0 "[ . 1 . 2]" 1
151 1 14 LEU MD1 1 90 ILE MD . . 3.920 3.649 3.463 3.819 . 0 0 "[ . 1 . 2]" 1
152 1 14 LEU MD1 1 90 ILE MG . . 3.030 1.761 1.649 1.875 . 0 0 "[ . 1 . 2]" 1
153 1 14 LEU MD2 1 15 THR H . . 4.410 3.655 3.451 3.939 . 0 0 "[ . 1 . 2]" 1
154 1 14 LEU MD2 1 34 VAL MG1 . . 4.230 2.925 2.594 3.340 . 0 0 "[ . 1 . 2]" 1
155 1 14 LEU MD2 1 36 LEU HA . . 3.650 1.822 1.770 1.871 . 0 0 "[ . 1 . 2]" 1
156 1 14 LEU MD2 1 36 LEU QB . . 3.400 2.630 2.310 2.978 . 0 0 "[ . 1 . 2]" 1
157 1 14 LEU MD2 1 36 LEU MD2 . . 3.640 1.897 1.755 2.093 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU MD2 1 39 ALA H . . 4.520 3.940 3.509 4.381 . 0 0 "[ . 1 . 2]" 1
159 1 14 LEU MD2 1 39 ALA MB . . 2.970 1.999 1.769 2.321 . 0 0 "[ . 1 . 2]" 1
160 1 14 LEU MD2 1 43 ILE MD . . 4.470 2.371 1.941 3.057 . 0 0 "[ . 1 . 2]" 1
161 1 14 LEU MD2 1 85 PHE QD . . 4.110 3.330 2.486 3.563 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU MD2 1 85 PHE QE . . 4.410 3.236 2.280 3.859 . 0 0 "[ . 1 . 2]" 1
163 1 14 LEU HG 1 36 LEU HA . . 4.080 4.023 3.872 4.083 0.003 2 0 "[ . 1 . 2]" 1
164 1 14 LEU HG 1 36 LEU MD2 . . 4.460 4.302 4.103 4.401 . 0 0 "[ . 1 . 2]" 1
165 1 14 LEU HG 1 39 ALA MB . . 4.640 3.129 2.677 3.369 . 0 0 "[ . 1 . 2]" 1
166 1 15 THR H 1 15 THR MG . . 3.890 2.894 2.134 3.517 . 0 0 "[ . 1 . 2]" 1
167 1 15 THR H 1 16 VAL H . . 4.490 4.396 4.275 4.457 . 0 0 "[ . 1 . 2]" 1
168 1 15 THR H 1 34 VAL HA . . 4.550 4.392 4.223 4.550 0.000 1 0 "[ . 1 . 2]" 1
169 1 15 THR H 1 34 VAL MG1 . . 4.330 2.931 2.633 3.236 . 0 0 "[ . 1 . 2]" 1
170 1 15 THR H 1 35 GLN H . . 3.900 3.537 3.375 3.771 . 0 0 "[ . 1 . 2]" 1
171 1 15 THR H 1 35 GLN HA . . 5.160 4.953 4.748 5.160 . 0 0 "[ . 1 . 2]" 1
172 1 15 THR H 1 35 GLN QB . . 4.110 3.414 3.078 3.871 . 0 0 "[ . 1 . 2]" 1
173 1 15 THR H 1 36 LEU HA . . 4.780 4.151 3.904 4.554 . 0 0 "[ . 1 . 2]" 1
174 1 15 THR H 1 37 ASN HD21 . . 4.250 3.394 2.778 3.772 . 0 0 "[ . 1 . 2]" 1
175 1 15 THR H 1 37 ASN QD . . 3.680 3.191 2.719 3.514 . 0 0 "[ . 1 . 2]" 1
176 1 15 THR H 1 37 ASN HD22 . . 4.250 3.925 3.518 4.228 . 0 0 "[ . 1 . 2]" 1
177 1 15 THR HA 1 15 THR MG . . 3.360 2.609 2.073 3.202 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR HA 1 16 VAL H . . 2.870 2.385 2.192 2.480 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR HB 1 16 VAL H . . 3.790 2.963 2.210 3.768 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR HB 1 37 ASN QD . . 4.560 4.049 3.432 4.377 . 0 0 "[ . 1 . 2]" 1
181 1 15 THR MG 1 16 VAL H . . 3.810 3.551 3.426 3.702 . 0 0 "[ . 1 . 2]" 1
182 1 15 THR MG 1 37 ASN HD21 . . 3.650 2.961 2.022 3.552 . 0 0 "[ . 1 . 2]" 1
183 1 15 THR MG 1 37 ASN HD22 . . 3.650 2.834 1.818 3.646 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL H 1 16 VAL HB . . 3.310 2.835 2.614 2.975 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL H 1 16 VAL MG1 . . 4.120 3.926 3.839 3.983 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL H 1 16 VAL MG2 . . 3.550 2.874 2.621 3.060 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL HA 1 16 VAL MG1 . . 3.530 2.382 2.252 2.446 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL HA 1 16 VAL MG2 . . 3.550 2.380 2.290 2.532 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL HA 1 17 THR H . . 2.990 2.166 2.140 2.212 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL HA 1 34 VAL HA . . 3.530 2.973 2.817 3.172 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL HA 1 35 GLN H . . 3.970 3.510 3.250 3.761 . 0 0 "[ . 1 . 2]" 1
192 1 16 VAL HB 1 17 THR H . . 4.340 4.092 3.926 4.335 . 0 0 "[ . 1 . 2]" 1
193 1 16 VAL HB 1 19 LEU MD2 . . 4.830 3.155 2.563 3.461 . 0 0 "[ . 1 . 2]" 1
194 1 16 VAL HB 1 32 PHE QD . . 4.840 4.673 4.387 4.842 0.002 16 0 "[ . 1 . 2]" 1
195 1 16 VAL HB 1 95 PHE QD . . 4.830 4.713 4.554 4.830 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL HB 1 95 PHE QE . . 4.950 4.032 3.711 4.317 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL MG1 1 17 THR H . . 3.800 2.524 2.188 3.032 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL MG1 1 19 LEU H . . 4.320 2.257 2.143 2.379 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL MG1 1 19 LEU HB2 . . 4.100 2.061 1.894 2.249 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL MG1 1 19 LEU QB . . 3.470 1.855 1.667 2.041 . 0 0 "[ . 1 . 2]" 1
201 1 16 VAL MG1 1 19 LEU HB3 . . 4.100 2.145 1.820 2.671 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL MG1 1 19 LEU MD1 . . 4.010 3.401 3.107 3.684 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL MG1 1 19 LEU MD2 . . 3.580 2.482 2.139 2.924 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL MG1 1 32 PHE QB . . 4.110 2.609 2.228 2.825 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL MG1 1 32 PHE QD . . 3.450 2.100 1.904 2.346 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL MG1 1 32 PHE QE . . 3.750 3.221 2.802 3.589 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL MG1 1 33 ALA H . . 4.370 3.634 3.161 3.933 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL MG1 1 34 VAL HA . . 3.980 3.395 3.034 3.688 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL MG1 1 95 PHE QD . . 4.840 4.608 4.406 4.738 . 0 0 "[ . 1 . 2]" 1
210 1 16 VAL MG2 1 17 THR H . . 4.450 4.072 3.904 4.259 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL MG2 1 32 PHE QB . . 5.180 4.467 4.128 4.849 . 0 0 "[ . 1 . 2]" 1
212 1 16 VAL MG2 1 32 PHE QD . . 3.980 3.241 2.857 3.697 . 0 0 "[ . 1 . 2]" 1
213 1 16 VAL MG2 1 32 PHE QE . . 3.840 3.491 3.184 3.842 0.002 18 0 "[ . 1 . 2]" 1
214 1 16 VAL MG2 1 34 VAL HA . . 4.010 2.546 2.125 3.349 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL MG2 1 95 PHE QD . . 4.160 3.682 3.213 3.885 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL MG2 1 95 PHE QE . . 3.760 2.592 2.257 2.848 . 0 0 "[ . 1 . 2]" 1
217 1 16 VAL MG2 1 95 PHE HZ . . 3.750 3.291 2.859 3.546 . 0 0 "[ . 1 . 2]" 1
218 1 17 THR H 1 17 THR HB . . 4.190 2.780 2.566 3.764 . 0 0 "[ . 1 . 2]" 1
219 1 17 THR H 1 17 THR MG . . 3.900 3.774 2.897 3.904 0.004 5 0 "[ . 1 . 2]" 1
220 1 17 THR H 1 18 SER H . . 4.580 2.349 2.185 2.530 . 0 0 "[ . 1 . 2]" 1
221 1 17 THR H 1 33 ALA H . . 4.830 4.497 4.280 4.814 . 0 0 "[ . 1 . 2]" 1
222 1 17 THR H 1 34 VAL HA . . 4.700 4.486 4.152 4.693 . 0 0 "[ . 1 . 2]" 1
223 1 17 THR H 1 35 GLN H . . 4.870 4.725 4.370 4.865 . 0 0 "[ . 1 . 2]" 1
224 1 17 THR HA 1 17 THR MG . . 3.370 2.350 2.209 2.439 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR HA 1 19 LEU H . . 4.290 4.164 3.809 4.289 . 0 0 "[ . 1 . 2]" 1
226 1 17 THR HB 1 18 SER H . . 3.710 2.262 1.970 3.359 . 0 0 "[ . 1 . 2]" 1
227 1 17 THR MG 1 18 SER H . . 4.310 3.234 2.972 3.843 . 0 0 "[ . 1 . 2]" 1
228 1 18 SER H 1 18 SER HB2 . . 4.020 2.408 2.307 2.537 . 0 0 "[ . 1 . 2]" 1
229 1 18 SER H 1 18 SER QB . . 3.250 2.349 2.215 2.489 . 0 0 "[ . 1 . 2]" 1
230 1 18 SER H 1 18 SER HB3 . . 4.020 3.397 2.736 3.625 . 0 0 "[ . 1 . 2]" 1
231 1 18 SER H 1 19 LEU H . . 3.810 3.007 2.902 3.062 . 0 0 "[ . 1 . 2]" 1
232 1 18 SER QB 1 19 LEU H . . 3.280 2.607 2.441 2.782 . 0 0 "[ . 1 . 2]" 1
233 1 18 SER QB 1 32 PHE HA . . 3.380 2.375 2.165 2.882 . 0 0 "[ . 1 . 2]" 1
234 1 18 SER QB 1 33 ALA H . . 3.970 1.952 1.876 2.389 . 0 0 "[ . 1 . 2]" 1
235 1 18 SER HB2 1 32 PHE HA . . 3.920 3.082 2.431 3.731 . 0 0 "[ . 1 . 2]" 1
236 1 18 SER HB2 1 33 ALA H . . 4.790 2.201 1.898 2.937 . 0 0 "[ . 1 . 2]" 1
237 1 18 SER HB3 1 32 PHE HA . . 3.920 2.501 2.262 3.055 . 0 0 "[ . 1 . 2]" 1
238 1 18 SER HB3 1 33 ALA H . . 4.790 2.871 1.899 3.418 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU H 1 19 LEU HB2 . . 3.390 2.567 2.416 2.652 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU H 1 19 LEU QB . . 2.950 2.235 2.212 2.264 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU H 1 19 LEU HB3 . . 3.390 2.467 2.369 2.658 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU H 1 19 LEU MD1 . . 4.490 4.087 3.925 4.195 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU H 1 19 LEU MD2 . . 4.420 4.195 4.119 4.240 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 19 LEU HG . . 4.580 4.449 4.391 4.525 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 20 GLN H . . 4.640 4.595 4.453 4.644 0.004 2 0 "[ . 1 . 2]" 1
246 1 19 LEU H 1 32 PHE QB . . 4.430 2.359 2.090 2.673 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU HA 1 19 LEU MD1 . . 3.480 2.357 2.082 2.666 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU HA 1 19 LEU MD2 . . 4.130 3.963 3.918 3.997 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU HA 1 19 LEU HG . . 4.120 3.106 2.958 3.227 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU HA 1 20 GLN H . . 3.020 2.210 2.140 2.314 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU HA 1 20 GLN HB2 . . 5.230 4.229 4.126 4.450 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU HA 1 20 GLN QB . . 4.570 3.984 3.926 4.057 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU HA 1 20 GLN HB3 . . 5.230 4.878 4.663 4.964 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU HA 1 24 LEU MD1 . . 4.490 4.427 4.305 4.493 0.003 8 0 "[ . 1 . 2]" 1
255 1 19 LEU HA 1 32 PHE HA . . 5.170 4.614 4.113 5.055 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU HA 1 32 PHE QB . . 3.590 2.370 2.017 2.709 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU HA 1 32 PHE QD . . 4.770 3.097 2.559 3.550 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU QB 1 19 LEU MD2 . . 2.970 2.048 1.989 2.100 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU QB 1 32 PHE QB . . 4.590 2.714 2.333 3.001 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU HB2 1 19 LEU MD2 . . 3.410 2.524 2.364 2.694 . 0 0 "[ . 1 . 2]" 1
261 1 19 LEU HB3 1 19 LEU MD2 . . 3.410 2.179 2.051 2.334 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU MD1 1 20 GLN H . . 3.910 2.537 2.037 2.965 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU MD1 1 32 PHE QB . . 3.900 3.415 2.903 3.794 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU MD1 1 32 PHE QD . . 3.960 2.829 2.308 3.128 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU MD1 1 32 PHE QE . . 4.360 2.651 2.370 2.906 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU MD1 1 71 PHE HZ . . 4.880 3.216 2.869 3.542 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU MD1 1 81 ILE MD . . 4.090 3.920 3.537 4.092 0.002 18 0 "[ . 1 . 2]" 1
268 1 19 LEU MD1 1 95 PHE HB3 . . 4.640 4.162 3.539 4.619 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU MD1 1 97 ILE MD . . 3.850 3.000 2.701 3.235 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU MD1 1 97 ILE MG . . 3.180 1.970 1.748 2.200 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU MD2 1 20 GLN H . . 5.290 4.232 3.876 4.755 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU MD2 1 21 GLU H . . 5.500 4.227 3.446 5.038 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD2 1 21 GLU QG . . 4.080 3.277 2.325 3.949 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU MD2 1 32 PHE QD . . 4.660 4.095 3.745 4.459 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU MD2 1 32 PHE QE . . 4.720 3.728 3.213 4.194 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD2 1 95 PHE HB2 . . 4.440 3.430 2.806 3.689 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU MD2 1 95 PHE HB3 . . 4.110 2.675 2.021 2.910 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU MD2 1 95 PHE QD . . 3.960 3.486 2.893 3.728 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU MD2 1 97 ILE MG . . 3.630 2.369 2.018 2.761 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HG 1 20 GLN H . . 4.780 2.697 2.270 3.387 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU HG 1 21 GLU QG . . 4.640 3.890 3.293 4.515 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU HG 1 97 ILE MG . . 3.920 3.086 2.776 3.355 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLN H 1 20 GLN HB2 . . 3.710 2.644 2.431 2.963 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLN H 1 20 GLN QB . . 3.240 2.405 2.295 2.570 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLN H 1 20 GLN HB3 . . 3.710 2.788 2.545 2.908 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLN H 1 20 GLN QG . . 4.240 4.081 3.981 4.209 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLN H 1 24 LEU MD1 . . 4.620 3.097 2.772 3.334 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLN H 1 24 LEU MD2 . . 4.900 3.341 2.807 3.713 . 0 0 "[ . 1 . 2]" 1
289 1 20 GLN H 1 32 PHE QB . . 4.580 4.325 4.132 4.500 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLN HA 1 20 GLN QG . . 3.850 2.378 2.156 2.765 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLN HA 1 21 GLU H . . 3.210 2.219 2.142 2.359 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLN HA 1 22 THR H . . 4.110 3.835 3.380 4.090 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLN QB 1 21 GLU H . . 4.210 3.949 3.824 4.029 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLN QB 1 24 LEU MD1 . . 3.820 2.978 2.049 3.379 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN HB2 1 24 LEU MD1 . . 4.460 4.080 3.481 4.440 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN HB2 1 24 LEU MD2 . . 4.010 2.776 2.330 3.236 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN HB3 1 24 LEU MD1 . . 4.460 3.066 2.064 3.507 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLN HB3 1 24 LEU MD2 . . 4.010 2.230 1.913 2.633 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLN QE 1 24 LEU MD2 . . 4.340 3.700 1.906 4.342 0.002 8 0 "[ . 1 . 2]" 1
300 1 20 GLN QG 1 21 GLU H . . 4.430 3.545 3.178 4.027 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLN QG 1 22 THR H . . 4.080 2.828 2.237 3.462 . 0 0 "[ . 1 . 2]" 1
302 1 20 GLN QG 1 24 LEU MD1 . . 4.940 4.497 3.403 4.892 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLN QG 1 24 LEU MD2 . . 4.070 3.341 2.114 3.895 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLN QG 1 24 LEU HG . . 4.890 3.575 2.233 4.154 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLU H 1 21 GLU HB2 . . 4.200 2.422 2.202 2.647 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLU H 1 21 GLU QB . . 3.480 2.382 2.141 2.585 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLU H 1 21 GLU HB3 . . 4.200 3.553 2.917 3.624 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLU H 1 21 GLU QG . . 4.010 2.504 1.994 3.813 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLU H 1 22 THR H . . 3.350 2.962 2.748 3.167 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLU HA 1 21 GLU QG . . 3.530 2.347 2.206 2.675 . 0 0 "[ . 1 . 2]" 1
311 1 21 GLU HA 1 97 ILE HA . . 3.820 3.294 2.782 3.635 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLU HA 1 97 ILE HB . . 4.460 4.214 3.408 4.469 0.009 18 0 "[ . 1 . 2]" 1
313 1 21 GLU HA 1 97 ILE MG . . 3.450 2.831 2.371 3.252 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLU HA 1 98 ARG H . . 4.460 3.996 3.172 4.436 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLU QB 1 22 THR H . . 3.540 2.482 2.172 2.850 . 0 0 "[ . 1 . 2]" 1
316 1 21 GLU HB2 1 22 THR H . . 4.310 2.628 2.310 3.412 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLU HB2 1 22 THR MG . . 3.890 3.371 2.885 3.880 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU HB3 1 22 THR H . . 4.310 3.282 2.197 3.712 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLU HB3 1 22 THR MG . . 3.890 2.707 2.267 3.221 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU QG 1 97 ILE HA . . 5.110 4.553 2.799 5.086 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLU QG 1 97 ILE MG . . 4.370 3.891 2.954 4.310 . 0 0 "[ . 1 . 2]" 1
322 1 22 THR H 1 22 THR MG . . 3.670 2.930 1.952 3.270 . 0 0 "[ . 1 . 2]" 1
323 1 22 THR H 1 23 GLY H . . 4.490 4.256 3.948 4.418 . 0 0 "[ . 1 . 2]" 1
324 1 22 THR HA 1 22 THR HB . . 2.940 2.441 2.291 2.575 . 0 0 "[ . 1 . 2]" 1
325 1 22 THR HA 1 22 THR MG . . 3.100 2.386 2.181 3.134 0.034 9 0 "[ . 1 . 2]" 1
326 1 22 THR HA 1 23 GLY H . . 3.200 2.186 2.145 2.364 . 0 0 "[ . 1 . 2]" 1
327 1 22 THR HA 1 24 LEU H . . 4.040 3.576 3.358 3.934 . 0 0 "[ . 1 . 2]" 1
328 1 22 THR HA 1 98 ARG HB2 . . 4.550 3.835 3.336 4.543 . 0 0 "[ . 1 . 2]" 1
329 1 22 THR HA 1 98 ARG HB3 . . 4.350 2.567 2.115 3.074 . 0 0 "[ . 1 . 2]" 1
330 1 22 THR HB 1 23 GLY H . . 3.790 3.250 2.671 3.767 . 0 0 "[ . 1 . 2]" 1
331 1 22 THR MG 1 23 GLY H . . 4.770 3.995 3.826 4.239 . 0 0 "[ . 1 . 2]" 1
332 1 22 THR MG 1 98 ARG HB2 . . 4.170 2.855 2.142 4.169 . 0 0 "[ . 1 . 2]" 1
333 1 22 THR MG 1 98 ARG HB3 . . 4.370 2.730 2.099 3.891 . 0 0 "[ . 1 . 2]" 1
334 1 23 GLY H 1 24 LEU H . . 3.790 2.191 1.807 2.899 . 0 0 "[ . 1 . 2]" 1
335 1 23 GLY H 1 98 ARG HB3 . . 4.420 3.497 2.811 4.346 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU H 1 24 LEU HB2 . . 3.350 2.564 2.357 2.699 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU H 1 24 LEU HB3 . . 3.790 3.607 3.573 3.791 0.001 4 0 "[ . 1 . 2]" 1
338 1 24 LEU H 1 24 LEU MD1 . . 4.220 3.702 3.501 4.067 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU H 1 24 LEU MD2 . . 4.160 3.170 2.700 3.907 . 0 0 "[ . 1 . 2]" 1
340 1 24 LEU H 1 24 LEU HG . . 3.310 2.274 1.996 3.038 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU H 1 25 LYS H . . 4.820 4.529 4.191 4.638 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU H 1 99 VAL HA . . 4.370 4.198 3.214 4.378 0.008 18 0 "[ . 1 . 2]" 1
343 1 24 LEU H 1 100 GLY H . . 5.000 4.560 3.067 4.979 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU HA 1 24 LEU MD1 . . 4.730 3.863 3.764 3.930 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HA 1 24 LEU MD2 . . 3.050 2.114 1.947 2.308 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU HA 1 24 LEU HG . . 3.710 3.210 3.050 3.367 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU HA 1 25 LYS H . . 3.000 2.188 2.138 2.296 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU HB2 1 24 LEU MD1 . . 3.280 2.271 2.178 2.398 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU HB2 1 25 LYS H . . 4.690 4.075 3.789 4.346 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HB2 1 99 VAL HA . . 3.780 2.852 2.629 3.009 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU HB2 1 99 VAL MG2 . . 3.440 2.803 2.574 3.059 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU HB2 1 100 GLY H . . 4.270 4.146 3.928 4.272 0.002 19 0 "[ . 1 . 2]" 1
353 1 24 LEU HB3 1 24 LEU MD1 . . 3.260 2.395 2.239 2.492 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU HB3 1 24 LEU MD2 . . 3.300 2.345 2.225 2.496 . 0 0 "[ . 1 . 2]" 1
355 1 24 LEU HB3 1 25 LYS H . . 3.570 3.152 2.681 3.564 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU HB3 1 99 VAL HA . . 4.320 3.998 3.582 4.260 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU HB3 1 99 VAL MG2 . . 3.580 3.360 2.877 3.555 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU HB3 1 100 GLY H . . 5.410 4.975 4.413 5.346 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU MD1 1 30 ALA HA . . 4.510 4.163 3.693 4.473 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD1 1 32 PHE HZ . . 5.500 5.490 5.435 5.513 0.013 18 0 "[ . 1 . 2]" 1
361 1 24 LEU MD1 1 71 PHE QE . . 4.500 3.546 3.088 3.928 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU MD1 1 97 ILE HB . . 3.660 2.824 2.539 3.258 . 0 0 "[ . 1 . 2]" 1
363 1 24 LEU MD1 1 99 VAL HA . . 4.400 4.319 4.168 4.402 0.002 18 0 "[ . 1 . 2]" 1
364 1 24 LEU MD2 1 25 LYS H . . 3.830 3.571 3.205 3.828 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU MD2 1 30 ALA HA . . 4.260 3.464 3.027 3.880 . 0 0 "[ . 1 . 2]" 1
366 1 24 LEU MD2 1 32 PHE QE . . 5.500 5.213 5.033 5.373 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU MD2 1 71 PHE QE . . 5.500 5.371 5.043 5.503 0.003 8 0 "[ . 1 . 2]" 1
368 1 24 LEU HG 1 25 LYS H . . 5.500 5.154 4.904 5.273 . 0 0 "[ . 1 . 2]" 1
369 1 25 LYS H 1 25 LYS HB2 . . 3.350 2.409 2.187 2.653 . 0 0 "[ . 1 . 2]" 1
370 1 25 LYS H 1 25 LYS HB3 . . 3.730 3.611 3.481 3.734 0.004 15 0 "[ . 1 . 2]" 1
371 1 25 LYS H 1 25 LYS QD . . 4.430 3.671 1.891 4.428 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS H 1 25 LYS QG . . 3.480 2.910 2.238 3.400 . 0 0 "[ . 1 . 2]" 1
373 1 25 LYS H 1 28 GLN QB . . 3.900 3.060 2.720 3.838 . 0 0 "[ . 1 . 2]" 1
374 1 25 LYS HA 1 25 LYS QD . . 4.460 3.962 3.281 4.204 . 0 0 "[ . 1 . 2]" 1
375 1 25 LYS HA 1 25 LYS QG . . 3.800 2.386 2.253 2.568 . 0 0 "[ . 1 . 2]" 1
376 1 25 LYS HA 1 26 VAL H . . 3.000 2.496 2.266 2.651 . 0 0 "[ . 1 . 2]" 1
377 1 25 LYS HA 1 100 GLY H . . 4.240 2.736 2.256 3.287 . 0 0 "[ . 1 . 2]" 1
378 1 25 LYS HA 1 101 GLU H . . 4.360 3.654 2.633 4.221 . 0 0 "[ . 1 . 2]" 1
379 1 25 LYS HB2 1 26 VAL H . . 4.080 3.550 3.113 4.077 . 0 0 "[ . 1 . 2]" 1
380 1 25 LYS HB2 1 28 GLN HB2 . . 4.410 3.252 2.567 4.003 . 0 0 "[ . 1 . 2]" 1
381 1 25 LYS HB2 1 28 GLN QB . . 3.730 3.056 2.518 3.717 . 0 0 "[ . 1 . 2]" 1
382 1 25 LYS HB2 1 28 GLN HB3 . . 4.410 3.881 2.654 4.411 0.001 9 0 "[ . 1 . 2]" 1
383 1 25 LYS HB2 1 28 GLN QG . . 4.320 2.376 1.929 3.583 . 0 0 "[ . 1 . 2]" 1
384 1 25 LYS HB3 1 25 LYS QE . . 4.440 3.534 2.025 4.295 . 0 0 "[ . 1 . 2]" 1
385 1 25 LYS HB3 1 26 VAL H . . 3.260 2.272 1.933 2.841 . 0 0 "[ . 1 . 2]" 1
386 1 25 LYS HB3 1 28 GLN QG . . 4.440 3.426 1.990 4.443 0.003 11 0 "[ . 1 . 2]" 1
387 1 25 LYS QE 1 25 LYS QG . . 3.250 2.232 2.081 2.499 . 0 0 "[ . 1 . 2]" 1
388 1 25 LYS QG 1 26 VAL H . . 4.110 3.575 3.170 3.978 . 0 0 "[ . 1 . 2]" 1
389 1 25 LYS QG 1 101 GLU H . . 4.490 3.500 2.292 4.478 . 0 0 "[ . 1 . 2]" 1
390 1 26 VAL H 1 26 VAL HB . . 3.230 2.540 2.305 2.784 . 0 0 "[ . 1 . 2]" 1
391 1 26 VAL H 1 26 VAL QG . . 3.040 2.199 1.923 2.484 . 0 0 "[ . 1 . 2]" 1
392 1 26 VAL H 1 100 GLY HA2 . . 5.040 3.628 3.057 4.985 . 0 0 "[ . 1 . 2]" 1
393 1 26 VAL H 1 100 GLY QA . . 4.190 3.468 3.003 4.190 0.000 2 0 "[ . 1 . 2]" 1
394 1 26 VAL H 1 100 GLY HA3 . . 5.040 4.667 4.130 5.040 . 0 0 "[ . 1 . 2]" 1
395 1 26 VAL HA 1 26 VAL QG . . 3.330 2.175 2.026 2.351 . 0 0 "[ . 1 . 2]" 1
396 1 26 VAL HA 1 27 ASN H . . 3.110 2.263 2.177 2.410 . 0 0 "[ . 1 . 2]" 1
397 1 26 VAL HA 1 27 ASN HA . . 4.490 4.424 4.397 4.476 . 0 0 "[ . 1 . 2]" 1
398 1 26 VAL HA 1 28 GLN H . . 4.110 3.555 3.256 3.876 . 0 0 "[ . 1 . 2]" 1
399 1 26 VAL HA 1 73 PRO HG2 . . 4.600 2.283 1.996 2.699 . 0 0 "[ . 1 . 2]" 1
400 1 26 VAL HA 1 73 PRO QG . . 3.730 2.250 1.970 2.660 . 0 0 "[ . 1 . 2]" 1
401 1 26 VAL HA 1 73 PRO HG3 . . 4.600 3.425 3.034 4.027 . 0 0 "[ . 1 . 2]" 1
402 1 26 VAL HA 1 99 VAL MG1 . . 3.660 2.375 1.974 2.703 . 0 0 "[ . 1 . 2]" 1
403 1 26 VAL HB 1 27 ASN H . . 4.550 4.006 3.682 4.186 . 0 0 "[ . 1 . 2]" 1
404 1 26 VAL QG 1 27 ASN H . . 3.440 2.018 1.774 2.302 . 0 0 "[ . 1 . 2]" 1
405 1 26 VAL QG 1 27 ASN HA . . 4.420 3.500 3.290 3.696 . 0 0 "[ . 1 . 2]" 1
406 1 26 VAL QG 1 27 ASN QB . . 3.940 2.744 2.444 3.464 . 0 0 "[ . 1 . 2]" 1
407 1 26 VAL QG 1 27 ASN HD21 . . 4.060 2.870 1.843 3.862 . 0 0 "[ . 1 . 2]" 1
408 1 26 VAL QG 1 27 ASN HD22 . . 4.060 2.972 2.148 3.802 . 0 0 "[ . 1 . 2]" 1
409 1 26 VAL QG 1 28 GLN H . . 4.520 4.049 3.739 4.321 . 0 0 "[ . 1 . 2]" 1
410 1 26 VAL QG 1 74 HIS HA . . 4.100 3.867 3.466 4.102 0.002 5 0 "[ . 1 . 2]" 1
411 1 26 VAL QG 1 75 GLU H . . 4.420 4.044 3.594 4.359 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL QG 1 75 GLU HA . . 3.270 3.088 2.709 3.274 0.004 6 0 "[ . 1 . 2]" 1
413 1 26 VAL QG 1 76 ASN H . . 4.040 3.279 2.315 3.903 . 0 0 "[ . 1 . 2]" 1
414 1 26 VAL QG 1 76 ASN QD . . 4.840 2.391 1.572 3.042 . 0 0 "[ . 1 . 2]" 1
415 1 27 ASN H 1 28 GLN H . . 3.520 2.751 2.480 3.029 . 0 0 "[ . 1 . 2]" 1
416 1 27 ASN H 1 72 ILE MG . . 3.800 2.985 2.670 3.294 . 0 0 "[ . 1 . 2]" 1
417 1 27 ASN H 1 73 PRO QB . . 4.910 3.665 3.263 4.118 . 0 0 "[ . 1 . 2]" 1
418 1 27 ASN H 1 73 PRO HD2 . . 4.050 3.546 3.185 3.923 . 0 0 "[ . 1 . 2]" 1
419 1 27 ASN H 1 73 PRO QG . . 4.480 2.345 1.892 2.901 . 0 0 "[ . 1 . 2]" 1
420 1 27 ASN H 1 74 HIS HA . . 4.730 4.218 4.019 4.511 . 0 0 "[ . 1 . 2]" 1
421 1 27 ASN HA 1 28 GLN H . . 3.500 2.834 2.629 2.985 . 0 0 "[ . 1 . 2]" 1
422 1 27 ASN HA 1 72 ILE MD . . 4.380 4.078 3.741 4.383 0.003 9 0 "[ . 1 . 2]" 1
423 1 27 ASN HA 1 72 ILE MG . . 3.020 1.948 1.846 2.139 . 0 0 "[ . 1 . 2]" 1
424 1 27 ASN QB 1 27 ASN HD22 . . 3.750 3.285 3.213 3.476 . 0 0 "[ . 1 . 2]" 1
425 1 27 ASN QB 1 28 GLN H . . 4.310 3.869 3.740 4.046 . 0 0 "[ . 1 . 2]" 1
426 1 27 ASN QB 1 72 ILE MG . . 4.580 3.340 2.921 3.717 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLN H 1 28 GLN HB2 . . 3.730 2.630 2.378 3.772 0.042 12 0 "[ . 1 . 2]" 1
428 1 28 GLN H 1 28 GLN QB . . 3.100 2.464 2.344 2.789 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLN H 1 28 GLN HB3 . . 3.730 3.423 2.537 3.754 0.024 9 0 "[ . 1 . 2]" 1
430 1 28 GLN H 1 28 GLN QG . . 3.980 3.404 2.415 4.040 0.060 2 0 "[ . 1 . 2]" 1
431 1 28 GLN H 1 29 PRO HD2 . . 5.040 4.822 4.784 4.844 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLN H 1 29 PRO HD3 . . 5.000 4.769 4.604 4.907 . 0 0 "[ . 1 . 2]" 1
433 1 28 GLN H 1 72 ILE MG . . 3.880 2.434 1.966 2.833 . 0 0 "[ . 1 . 2]" 1
434 1 28 GLN H 1 73 PRO HD2 . . 4.150 2.417 2.175 2.675 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLN H 1 73 PRO HD3 . . 4.640 4.050 3.816 4.323 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLN H 1 73 PRO HG2 . . 4.560 2.913 2.582 3.297 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLN H 1 73 PRO QG . . 3.950 2.840 2.531 3.189 . 0 0 "[ . 1 . 2]" 1
438 1 28 GLN H 1 73 PRO HG3 . . 4.560 3.940 3.633 4.239 . 0 0 "[ . 1 . 2]" 1
439 1 28 GLN H 1 99 VAL MG1 . . 5.010 4.476 4.133 4.913 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLN HA 1 28 GLN QG . . 3.740 2.558 2.149 3.326 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLN HA 1 29 PRO HD2 . . 3.160 2.149 2.053 2.246 . 0 0 "[ . 1 . 2]" 1
442 1 28 GLN HA 1 29 PRO HD3 . . 3.050 2.257 2.251 2.274 . 0 0 "[ . 1 . 2]" 1
443 1 28 GLN HA 1 29 PRO HG2 . . 4.690 4.311 4.235 4.387 . 0 0 "[ . 1 . 2]" 1
444 1 28 GLN HA 1 29 PRO HG3 . . 4.460 4.350 4.320 4.388 . 0 0 "[ . 1 . 2]" 1
445 1 28 GLN QB 1 29 PRO HD2 . . 3.280 2.868 2.274 3.330 0.050 11 0 "[ . 1 . 2]" 1
446 1 28 GLN QB 1 29 PRO HD3 . . 4.180 3.964 3.545 4.198 0.018 11 0 "[ . 1 . 2]" 1
447 1 28 GLN QG 1 29 PRO HD2 . . 4.090 3.298 1.822 3.934 . 0 0 "[ . 1 . 2]" 1
448 1 28 GLN QG 1 29 PRO HD3 . . 4.690 4.197 3.137 4.685 . 0 0 "[ . 1 . 2]" 1
449 1 29 PRO HA 1 30 ALA H . . 2.910 2.291 2.196 2.392 . 0 0 "[ . 1 . 2]" 1
450 1 29 PRO HA 1 72 ILE HA . . 3.790 3.630 3.390 3.768 . 0 0 "[ . 1 . 2]" 1
451 1 29 PRO HA 1 72 ILE MD . . 3.800 2.765 2.586 2.932 . 0 0 "[ . 1 . 2]" 1
452 1 29 PRO HA 1 72 ILE HG12 . . 3.630 2.027 1.996 2.128 . 0 0 "[ . 1 . 2]" 1
453 1 29 PRO HA 1 72 ILE HG13 . . 4.010 2.246 2.015 2.537 . 0 0 "[ . 1 . 2]" 1
454 1 29 PRO HA 1 72 ILE MG . . 4.240 3.952 3.823 4.036 . 0 0 "[ . 1 . 2]" 1
455 1 29 PRO HA 1 73 PRO HD2 . . 5.050 4.713 4.387 4.911 . 0 0 "[ . 1 . 2]" 1
456 1 29 PRO HB2 1 30 ALA H . . 4.280 4.124 3.942 4.238 . 0 0 "[ . 1 . 2]" 1
457 1 29 PRO HB2 1 70 ARG QD . . 4.110 3.958 3.534 4.120 0.010 18 0 "[ . 1 . 2]" 1
458 1 29 PRO HB2 1 72 ILE MD . . 4.210 3.987 3.849 4.134 . 0 0 "[ . 1 . 2]" 1
459 1 29 PRO HB2 1 72 ILE HG12 . . 4.510 4.501 4.457 4.515 0.005 2 0 "[ . 1 . 2]" 1
460 1 29 PRO HB3 1 30 ALA H . . 4.550 4.438 4.294 4.536 . 0 0 "[ . 1 . 2]" 1
461 1 29 PRO HB3 1 70 ARG QD . . 4.720 4.363 3.912 4.711 . 0 0 "[ . 1 . 2]" 1
462 1 29 PRO HB3 1 72 ILE MD . . 3.550 2.483 2.302 2.662 . 0 0 "[ . 1 . 2]" 1
463 1 29 PRO HB3 1 72 ILE HG12 . . 4.420 3.454 3.372 3.523 . 0 0 "[ . 1 . 2]" 1
464 1 29 PRO HD3 1 72 ILE MD . . 4.390 3.038 2.605 3.284 . 0 0 "[ . 1 . 2]" 1
465 1 29 PRO HG2 1 72 ILE MD . . 4.840 4.715 4.528 4.844 0.004 14 0 "[ . 1 . 2]" 1
466 1 29 PRO HG3 1 72 ILE MD . . 4.060 3.877 3.653 4.061 0.001 6 0 "[ . 1 . 2]" 1
467 1 29 PRO HG3 1 72 ILE HG12 . . 4.970 4.896 4.766 4.972 0.002 13 0 "[ . 1 . 2]" 1
468 1 30 ALA H 1 30 ALA MB . . 3.230 2.268 2.101 2.384 . 0 0 "[ . 1 . 2]" 1
469 1 30 ALA H 1 31 SER H . . 5.070 4.421 4.330 4.554 . 0 0 "[ . 1 . 2]" 1
470 1 30 ALA H 1 72 ILE HA . . 3.930 3.206 2.993 3.398 . 0 0 "[ . 1 . 2]" 1
471 1 30 ALA H 1 72 ILE HG12 . . 3.900 3.336 3.183 3.501 . 0 0 "[ . 1 . 2]" 1
472 1 30 ALA H 1 72 ILE HG13 . . 4.420 3.479 3.110 3.870 . 0 0 "[ . 1 . 2]" 1
473 1 30 ALA H 1 73 PRO HD2 . . 4.260 4.106 3.965 4.259 . 0 0 "[ . 1 . 2]" 1
474 1 30 ALA H 1 73 PRO HD3 . . 4.360 4.006 3.829 4.154 . 0 0 "[ . 1 . 2]" 1
475 1 30 ALA HA 1 31 SER H . . 2.790 2.149 2.141 2.182 . 0 0 "[ . 1 . 2]" 1
476 1 30 ALA HA 1 31 SER HA . . 4.970 4.403 4.389 4.435 . 0 0 "[ . 1 . 2]" 1
477 1 30 ALA MB 1 31 SER H . . 3.470 3.188 2.949 3.356 . 0 0 "[ . 1 . 2]" 1
478 1 30 ALA MB 1 31 SER HA . . 4.810 4.014 3.900 4.081 . 0 0 "[ . 1 . 2]" 1
479 1 30 ALA MB 1 73 PRO HD2 . . 4.650 4.062 3.789 4.321 . 0 0 "[ . 1 . 2]" 1
480 1 30 ALA MB 1 73 PRO HD3 . . 4.350 3.352 2.942 3.601 . 0 0 "[ . 1 . 2]" 1
481 1 31 SER H 1 31 SER QB . . 3.590 3.083 2.466 3.294 . 0 0 "[ . 1 . 2]" 1
482 1 31 SER H 1 32 PHE H . . 4.660 4.377 4.280 4.452 . 0 0 "[ . 1 . 2]" 1
483 1 31 SER HA 1 32 PHE H . . 2.930 2.250 2.177 2.310 . 0 0 "[ . 1 . 2]" 1
484 1 31 SER HA 1 32 PHE HA . . 4.850 4.456 4.420 4.481 . 0 0 "[ . 1 . 2]" 1
485 1 31 SER HA 1 32 PHE QD . . 4.310 2.975 2.568 3.453 . 0 0 "[ . 1 . 2]" 1
486 1 31 SER HA 1 68 THR MG . . 4.480 4.391 4.145 4.483 0.003 6 0 "[ . 1 . 2]" 1
487 1 31 SER HA 1 69 ILE HB . . 5.100 3.773 3.487 4.147 . 0 0 "[ . 1 . 2]" 1
488 1 31 SER HA 1 70 ARG HA . . 3.430 2.736 2.635 2.902 . 0 0 "[ . 1 . 2]" 1
489 1 31 SER HA 1 71 PHE H . . 4.360 3.880 3.733 3.985 . 0 0 "[ . 1 . 2]" 1
490 1 31 SER QB 1 32 PHE H . . 3.410 2.845 2.623 3.386 . 0 0 "[ . 1 . 2]" 1
491 1 31 SER QB 1 68 THR MG . . 3.310 2.826 2.380 3.299 . 0 0 "[ . 1 . 2]" 1
492 1 31 SER QB 1 69 ILE H . . 4.260 3.964 3.602 4.263 0.003 8 0 "[ . 1 . 2]" 1
493 1 31 SER QB 1 70 ARG HA . . 3.990 2.461 2.102 2.887 . 0 0 "[ . 1 . 2]" 1
494 1 31 SER QB 1 70 ARG HB2 . . 4.320 2.951 2.599 3.230 . 0 0 "[ . 1 . 2]" 1
495 1 31 SER QB 1 70 ARG HB3 . . 4.850 4.142 3.873 4.377 . 0 0 "[ . 1 . 2]" 1
496 1 31 SER QB 1 70 ARG QD . . 4.390 3.395 2.726 3.927 . 0 0 "[ . 1 . 2]" 1
497 1 31 SER QB 1 70 ARG HG2 . . 4.340 3.619 3.205 3.850 . 0 0 "[ . 1 . 2]" 1
498 1 31 SER QB 1 70 ARG QG . . 3.790 2.033 1.940 2.252 . 0 0 "[ . 1 . 2]" 1
499 1 31 SER QB 1 70 ARG HG3 . . 4.340 2.044 1.956 2.267 . 0 0 "[ . 1 . 2]" 1
500 1 31 SER QB 1 71 PHE H . . 4.830 3.938 3.672 4.226 . 0 0 "[ . 1 . 2]" 1
501 1 32 PHE H 1 32 PHE QD . . 3.830 2.884 2.573 3.108 . 0 0 "[ . 1 . 2]" 1
502 1 32 PHE H 1 32 PHE QE . . 4.780 4.085 3.949 4.191 . 0 0 "[ . 1 . 2]" 1
503 1 32 PHE H 1 33 ALA H . . 4.870 4.393 4.382 4.422 . 0 0 "[ . 1 . 2]" 1
504 1 32 PHE H 1 68 THR HA . . 4.730 4.432 4.233 4.644 . 0 0 "[ . 1 . 2]" 1
505 1 32 PHE H 1 68 THR MG . . 3.620 3.442 2.973 3.623 0.003 6 0 "[ . 1 . 2]" 1
506 1 32 PHE H 1 69 ILE HB . . 4.180 3.170 2.905 3.505 . 0 0 "[ . 1 . 2]" 1
507 1 32 PHE H 1 70 ARG HA . . 4.590 4.405 4.301 4.556 . 0 0 "[ . 1 . 2]" 1
508 1 32 PHE HA 1 32 PHE QD . . 3.990 3.542 3.480 3.635 . 0 0 "[ . 1 . 2]" 1
509 1 32 PHE HA 1 33 ALA H . . 3.150 2.546 2.420 2.586 . 0 0 "[ . 1 . 2]" 1
510 1 32 PHE HA 1 33 ALA HA . . 5.140 4.426 4.391 4.453 . 0 0 "[ . 1 . 2]" 1
511 1 32 PHE HA 1 33 ALA MB . . 3.930 3.883 3.827 3.940 0.010 8 0 "[ . 1 . 2]" 1
512 1 32 PHE QB 1 33 ALA H . . 3.120 2.130 2.037 2.375 . 0 0 "[ . 1 . 2]" 1
513 1 32 PHE QD 1 33 ALA H . . 3.860 3.757 3.624 3.860 0.000 13 0 "[ . 1 . 2]" 1
514 1 32 PHE QD 1 34 VAL MG2 . . 3.930 2.798 2.570 2.978 . 0 0 "[ . 1 . 2]" 1
515 1 32 PHE QD 1 69 ILE HB . . 4.060 3.994 3.810 4.062 0.002 20 0 "[ . 1 . 2]" 1
516 1 32 PHE QD 1 69 ILE MD . . 5.500 4.967 4.575 5.227 . 0 0 "[ . 1 . 2]" 1
517 1 32 PHE QE 1 34 VAL MG2 . . 3.500 3.389 3.185 3.499 . 0 0 "[ . 1 . 2]" 1
518 1 32 PHE QE 1 69 ILE HB . . 3.820 3.540 3.239 3.704 . 0 0 "[ . 1 . 2]" 1
519 1 32 PHE QE 1 69 ILE HG12 . . 4.720 4.001 3.474 4.405 . 0 0 "[ . 1 . 2]" 1
520 1 32 PHE QE 1 81 ILE HB . . 5.500 5.158 4.932 5.430 . 0 0 "[ . 1 . 2]" 1
521 1 32 PHE QE 1 81 ILE MG . . 3.960 3.307 3.066 3.541 . 0 0 "[ . 1 . 2]" 1
522 1 32 PHE HZ 1 69 ILE HB . . 4.810 3.744 3.225 3.987 . 0 0 "[ . 1 . 2]" 1
523 1 32 PHE HZ 1 71 PHE QD . . 5.020 4.415 4.275 4.668 . 0 0 "[ . 1 . 2]" 1
524 1 32 PHE HZ 1 71 PHE QE . . 3.490 2.125 1.998 2.433 . 0 0 "[ . 1 . 2]" 1
525 1 32 PHE HZ 1 81 ILE MD . . 4.090 3.329 2.958 3.856 . 0 0 "[ . 1 . 2]" 1
526 1 32 PHE HZ 1 81 ILE MG . . 3.790 2.635 2.311 2.956 . 0 0 "[ . 1 . 2]" 1
527 1 32 PHE HZ 1 97 ILE MD . . 4.530 4.132 3.845 4.434 . 0 0 "[ . 1 . 2]" 1
528 1 32 PHE HZ 1 97 ILE MG . . 4.650 4.410 4.112 4.645 . 0 0 "[ . 1 . 2]" 1
529 1 33 ALA H 1 33 ALA MB . . 3.180 2.411 2.256 2.491 . 0 0 "[ . 1 . 2]" 1
530 1 33 ALA H 1 68 THR HA . . 5.320 5.076 4.815 5.320 . 0 0 "[ . 1 . 2]" 1
531 1 33 ALA HA 1 34 VAL H . . 2.930 2.215 2.156 2.305 . 0 0 "[ . 1 . 2]" 1
532 1 33 ALA HA 1 34 VAL HA . . 5.500 4.395 4.377 4.426 . 0 0 "[ . 1 . 2]" 1
533 1 33 ALA HA 1 34 VAL HB . . 4.940 4.640 4.564 4.746 . 0 0 "[ . 1 . 2]" 1
534 1 33 ALA HA 1 34 VAL MG2 . . 4.480 3.554 3.305 3.714 . 0 0 "[ . 1 . 2]" 1
535 1 33 ALA HA 1 68 THR HA . . 3.560 2.664 2.379 2.924 . 0 0 "[ . 1 . 2]" 1
536 1 33 ALA HA 1 68 THR MG . . 4.430 3.877 3.437 4.211 . 0 0 "[ . 1 . 2]" 1
537 1 33 ALA HA 1 69 ILE H . . 4.160 3.717 3.524 3.905 . 0 0 "[ . 1 . 2]" 1
538 1 33 ALA HA 1 69 ILE MD . . 4.980 4.661 4.267 4.975 . 0 0 "[ . 1 . 2]" 1
539 1 33 ALA MB 1 34 VAL H . . 3.520 2.907 2.659 3.106 . 0 0 "[ . 1 . 2]" 1
540 1 33 ALA MB 1 66 LYS QB . . 3.530 3.240 2.539 3.534 0.004 18 0 "[ . 1 . 2]" 1
541 1 33 ALA MB 1 66 LYS QE . . 4.280 3.520 1.916 4.256 . 0 0 "[ . 1 . 2]" 1
542 1 33 ALA MB 1 68 THR HA . . 3.920 3.686 3.479 3.921 0.001 6 0 "[ . 1 . 2]" 1
543 1 34 VAL H 1 34 VAL HB . . 3.630 2.628 2.529 2.726 . 0 0 "[ . 1 . 2]" 1
544 1 34 VAL H 1 34 VAL MG1 . . 4.000 3.844 3.804 3.889 . 0 0 "[ . 1 . 2]" 1
545 1 34 VAL H 1 34 VAL MG2 . . 3.840 2.691 2.420 2.864 . 0 0 "[ . 1 . 2]" 1
546 1 34 VAL H 1 35 GLN H . . 4.700 4.152 3.977 4.342 . 0 0 "[ . 1 . 2]" 1
547 1 34 VAL H 1 66 LYS QB . . 4.740 3.934 3.184 4.382 . 0 0 "[ . 1 . 2]" 1
548 1 34 VAL H 1 67 HIS H . . 3.740 2.908 2.517 3.249 . 0 0 "[ . 1 . 2]" 1
549 1 34 VAL H 1 67 HIS QB . . 4.570 3.628 3.367 3.936 . 0 0 "[ . 1 . 2]" 1
550 1 34 VAL H 1 68 THR HA . . 4.260 3.918 3.648 4.105 . 0 0 "[ . 1 . 2]" 1
551 1 34 VAL HA 1 34 VAL MG1 . . 3.530 2.341 2.208 2.429 . 0 0 "[ . 1 . 2]" 1
552 1 34 VAL HA 1 34 VAL MG2 . . 3.600 2.359 2.269 2.515 . 0 0 "[ . 1 . 2]" 1
553 1 34 VAL HA 1 35 GLN H . . 3.020 2.167 2.144 2.186 . 0 0 "[ . 1 . 2]" 1
554 1 34 VAL HB 1 35 GLN H . . 4.590 4.372 4.277 4.419 . 0 0 "[ . 1 . 2]" 1
555 1 34 VAL HB 1 43 ILE MD . . 4.030 3.552 3.070 3.910 . 0 0 "[ . 1 . 2]" 1
556 1 34 VAL HB 1 43 ILE HG12 . . 5.370 5.260 5.026 5.365 . 0 0 "[ . 1 . 2]" 1
557 1 34 VAL HB 1 43 ILE MG . . 4.650 3.249 2.831 3.556 . 0 0 "[ . 1 . 2]" 1
558 1 34 VAL HB 1 66 LYS HA . . 5.500 4.952 4.335 5.409 . 0 0 "[ . 1 . 2]" 1
559 1 34 VAL HB 1 67 HIS H . . 4.560 3.493 2.797 4.147 . 0 0 "[ . 1 . 2]" 1
560 1 34 VAL HB 1 67 HIS HB2 . . 4.660 2.839 2.486 3.138 . 0 0 "[ . 1 . 2]" 1
561 1 34 VAL HB 1 67 HIS QB . . 3.840 2.801 2.466 3.092 . 0 0 "[ . 1 . 2]" 1
562 1 34 VAL HB 1 67 HIS HB3 . . 4.660 4.308 3.877 4.662 0.002 8 0 "[ . 1 . 2]" 1
563 1 34 VAL HB 1 69 ILE MD . . 4.430 4.103 3.466 4.399 . 0 0 "[ . 1 . 2]" 1
564 1 34 VAL MG1 1 35 GLN H . . 3.800 3.002 2.791 3.196 . 0 0 "[ . 1 . 2]" 1
565 1 34 VAL MG1 1 36 LEU HA . . 4.330 4.071 3.748 4.230 . 0 0 "[ . 1 . 2]" 1
566 1 34 VAL MG1 1 43 ILE MD . . 3.200 2.357 1.974 2.989 . 0 0 "[ . 1 . 2]" 1
567 1 34 VAL MG2 1 43 ILE MG . . 3.240 2.932 2.508 3.224 . 0 0 "[ . 1 . 2]" 1
568 1 34 VAL MG2 1 67 HIS QB . . 4.420 3.465 3.134 3.838 . 0 0 "[ . 1 . 2]" 1
569 1 34 VAL MG2 1 69 ILE MD . . 3.220 2.890 2.313 3.161 . 0 0 "[ . 1 . 2]" 1
570 1 35 GLN H 1 35 GLN HB2 . . 3.890 2.464 2.255 2.720 . 0 0 "[ . 1 . 2]" 1
571 1 35 GLN H 1 35 GLN QB . . 3.400 2.248 2.178 2.285 . 0 0 "[ . 1 . 2]" 1
572 1 35 GLN H 1 35 GLN HB3 . . 3.890 2.641 2.408 2.875 . 0 0 "[ . 1 . 2]" 1
573 1 35 GLN H 1 35 GLN QG . . 4.040 3.968 3.852 4.042 0.002 3 0 "[ . 1 . 2]" 1
574 1 35 GLN H 1 36 LEU H . . 4.820 4.585 4.364 4.629 . 0 0 "[ . 1 . 2]" 1
575 1 35 GLN HA 1 35 GLN QG . . 3.740 2.396 2.147 2.922 . 0 0 "[ . 1 . 2]" 1
576 1 35 GLN HA 1 36 LEU H . . 3.390 2.217 2.151 2.292 . 0 0 "[ . 1 . 2]" 1
577 1 35 GLN HA 1 36 LEU HG . . 4.680 3.466 3.289 3.746 . 0 0 "[ . 1 . 2]" 1
578 1 35 GLN HA 1 37 ASN H . . 4.630 3.991 3.549 4.327 . 0 0 "[ . 1 . 2]" 1
579 1 35 GLN HA 1 66 LYS HA . . 4.150 3.625 2.800 4.141 . 0 0 "[ . 1 . 2]" 1
580 1 35 GLN HA 1 66 LYS QB . . 4.370 4.001 2.231 4.369 . 0 0 "[ . 1 . 2]" 1
581 1 35 GLN HA 1 66 LYS QG . . 4.250 2.773 1.971 4.242 . 0 0 "[ . 1 . 2]" 1
582 1 35 GLN QB 1 37 ASN H . . 4.310 3.965 3.438 4.299 . 0 0 "[ . 1 . 2]" 1
583 1 35 GLN QB 1 37 ASN QD . . 3.730 2.248 1.822 2.809 . 0 0 "[ . 1 . 2]" 1
584 1 35 GLN HB2 1 37 ASN H . . 5.190 4.932 4.553 5.184 . 0 0 "[ . 1 . 2]" 1
585 1 35 GLN HB3 1 37 ASN H . . 5.190 4.193 3.533 4.591 . 0 0 "[ . 1 . 2]" 1
586 1 35 GLN QG 1 36 LEU H . . 3.800 2.480 1.963 3.480 . 0 0 "[ . 1 . 2]" 1
587 1 35 GLN QG 1 37 ASN H . . 3.500 2.292 1.894 3.416 . 0 0 "[ . 1 . 2]" 1
588 1 35 GLN QG 1 37 ASN HA . . 4.560 3.311 2.945 4.333 . 0 0 "[ . 1 . 2]" 1
589 1 35 GLN QG 1 37 ASN QD . . 4.370 2.574 1.905 3.705 . 0 0 "[ . 1 . 2]" 1
590 1 35 GLN QG 1 66 LYS QG . . 4.190 3.654 2.969 4.189 . 0 0 "[ . 1 . 2]" 1
591 1 36 LEU H 1 36 LEU QB . . 3.570 2.614 2.538 2.691 . 0 0 "[ . 1 . 2]" 1
592 1 36 LEU H 1 36 LEU MD1 . . 4.800 3.511 3.308 3.659 . 0 0 "[ . 1 . 2]" 1
593 1 36 LEU H 1 36 LEU MD2 . . 4.430 3.359 2.819 3.675 . 0 0 "[ . 1 . 2]" 1
594 1 36 LEU H 1 36 LEU HG . . 3.800 2.160 1.899 2.383 . 0 0 "[ . 1 . 2]" 1
595 1 36 LEU H 1 66 LYS HA . . 4.430 4.027 3.327 4.430 0.000 13 0 "[ . 1 . 2]" 1
596 1 36 LEU HA 1 36 LEU MD1 . . 4.570 3.968 3.901 4.017 . 0 0 "[ . 1 . 2]" 1
597 1 36 LEU HA 1 36 LEU MD2 . . 3.280 2.304 2.013 2.587 . 0 0 "[ . 1 . 2]" 1
598 1 36 LEU HA 1 39 ALA H . . 4.350 4.065 3.828 4.350 0.000 13 0 "[ . 1 . 2]" 1
599 1 36 LEU HA 1 39 ALA MB . . 4.080 2.990 2.876 3.140 . 0 0 "[ . 1 . 2]" 1
600 1 36 LEU QB 1 36 LEU MD2 . . 3.240 2.202 2.074 2.316 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU QB 1 37 ASN H . . 3.660 2.694 2.432 2.935 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU QB 1 38 GLY H . . 3.920 2.575 2.380 2.861 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU QB 1 39 ALA H . . 3.280 2.514 2.031 2.914 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU QB 1 39 ALA HA . . 4.710 3.968 3.825 4.075 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU QB 1 39 ALA MB . . 3.270 2.042 1.881 2.272 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU MD1 1 40 ARG HA . . 4.670 2.929 2.149 3.518 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU MD1 1 40 ARG HD2 . . 4.580 4.030 2.951 4.579 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU MD1 1 40 ARG HD3 . . 4.580 3.660 2.897 4.581 0.001 12 0 "[ . 1 . 2]" 1
609 1 36 LEU MD1 1 41 GLY H . . 4.460 3.604 2.905 4.445 . 0 0 "[ . 1 . 2]" 1
610 1 36 LEU MD1 1 62 LEU MD1 . . 3.460 2.293 1.906 3.063 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU MD1 1 66 LYS HA . . 4.990 3.423 2.834 3.945 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU MD1 1 67 HIS HD2 . . 3.900 3.481 2.974 3.819 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU MD2 1 39 ALA MB . . 3.660 2.723 2.075 3.148 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU MD2 1 41 GLY H . . 4.680 3.837 3.275 4.457 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU MD2 1 43 ILE HG13 . . 4.340 2.904 2.445 3.726 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU MD2 1 67 HIS HD2 . . 3.600 2.383 2.024 2.868 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU MD2 1 85 PHE QD . . 4.270 3.911 3.267 4.146 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU MD2 1 85 PHE QE . . 3.830 2.792 1.846 3.571 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU HG 1 37 ASN H . . 4.100 4.003 3.841 4.096 . 0 0 "[ . 1 . 2]" 1
620 1 36 LEU HG 1 66 LYS HA . . 4.180 3.007 2.603 3.597 . 0 0 "[ . 1 . 2]" 1
621 1 36 LEU HG 1 67 HIS HD2 . . 4.580 4.091 3.416 4.582 0.002 1 0 "[ . 1 . 2]" 1
622 1 37 ASN H 1 38 GLY H . . 3.540 2.708 2.609 2.830 . 0 0 "[ . 1 . 2]" 1
623 1 37 ASN H 1 39 ALA H . . 4.430 4.237 3.984 4.420 . 0 0 "[ . 1 . 2]" 1
624 1 37 ASN QB 1 37 ASN QD . . 2.950 2.138 2.063 2.331 . 0 0 "[ . 1 . 2]" 1
625 1 38 GLY H 1 39 ALA H . . 3.580 2.521 2.082 2.914 . 0 0 "[ . 1 . 2]" 1
626 1 39 ALA H 1 39 ALA MB . . 2.970 2.263 2.029 2.695 . 0 0 "[ . 1 . 2]" 1
627 1 39 ALA H 1 40 ARG H . . 4.790 4.541 4.261 4.648 . 0 0 "[ . 1 . 2]" 1
628 1 39 ALA HA 1 40 ARG H . . 2.950 2.295 2.157 2.468 . 0 0 "[ . 1 . 2]" 1
629 1 39 ALA HA 1 40 ARG QB . . 5.040 4.075 3.887 4.343 . 0 0 "[ . 1 . 2]" 1
630 1 39 ALA MB 1 40 ARG H . . 3.400 2.740 2.402 3.122 . 0 0 "[ . 1 . 2]" 1
631 1 39 ALA MB 1 85 PHE QD . . 3.520 3.415 3.061 3.521 0.001 13 0 "[ . 1 . 2]" 1
632 1 39 ALA MB 1 85 PHE QE . . 3.640 2.110 1.888 2.505 . 0 0 "[ . 1 . 2]" 1
633 1 40 ARG H 1 40 ARG QB . . 3.330 2.643 2.297 2.810 . 0 0 "[ . 1 . 2]" 1
634 1 40 ARG H 1 40 ARG HG2 . . 5.010 4.102 3.027 5.009 . 0 0 "[ . 1 . 2]" 1
635 1 40 ARG H 1 40 ARG QG . . 4.250 3.694 2.959 4.270 0.020 12 0 "[ . 1 . 2]" 1
636 1 40 ARG H 1 40 ARG HG3 . . 5.010 4.444 4.044 5.038 0.028 12 0 "[ . 1 . 2]" 1
637 1 40 ARG H 1 41 GLY H . . 4.870 4.045 3.778 4.529 . 0 0 "[ . 1 . 2]" 1
638 1 40 ARG H 1 85 PHE QD . . 5.070 4.907 4.512 5.082 0.012 12 0 "[ . 1 . 2]" 1
639 1 40 ARG H 1 85 PHE QE . . 4.620 2.665 2.211 3.065 . 0 0 "[ . 1 . 2]" 1
640 1 40 ARG HA 1 40 ARG HD2 . . 4.130 2.901 2.157 3.742 . 0 0 "[ . 1 . 2]" 1
641 1 40 ARG HA 1 40 ARG QD . . 3.430 2.262 1.977 2.868 . 0 0 "[ . 1 . 2]" 1
642 1 40 ARG HA 1 40 ARG HD3 . . 4.130 2.824 1.989 3.917 . 0 0 "[ . 1 . 2]" 1
643 1 40 ARG HA 1 40 ARG QG . . 3.650 2.697 2.231 2.976 . 0 0 "[ . 1 . 2]" 1
644 1 40 ARG HA 1 41 GLY H . . 2.850 2.162 2.144 2.272 . 0 0 "[ . 1 . 2]" 1
645 1 40 ARG QB 1 40 ARG HD2 . . 3.770 2.816 2.236 3.527 . 0 0 "[ . 1 . 2]" 1
646 1 40 ARG QB 1 40 ARG QD . . 3.190 2.391 2.125 2.741 . 0 0 "[ . 1 . 2]" 1
647 1 40 ARG QB 1 40 ARG HD3 . . 3.770 2.891 2.171 3.441 . 0 0 "[ . 1 . 2]" 1
648 1 40 ARG QB 1 41 GLY H . . 4.050 3.600 2.833 3.945 . 0 0 "[ . 1 . 2]" 1
649 1 40 ARG QD 1 41 GLY H . . 4.480 3.558 2.987 4.311 . 0 0 "[ . 1 . 2]" 1
650 1 40 ARG QD 1 62 LEU MD2 . . 4.070 3.065 1.972 3.893 . 0 0 "[ . 1 . 2]" 1
651 1 40 ARG HD2 1 62 LEU MD2 . . 4.660 3.349 2.053 4.287 . 0 0 "[ . 1 . 2]" 1
652 1 40 ARG HD3 1 62 LEU MD2 . . 4.660 3.754 2.550 4.562 . 0 0 "[ . 1 . 2]" 1
653 1 40 ARG QG 1 41 GLY H . . 5.180 3.972 3.066 4.737 . 0 0 "[ . 1 . 2]" 1
654 1 41 GLY H 1 42 VAL H . . 4.510 4.192 3.962 4.410 . 0 0 "[ . 1 . 2]" 1
655 1 41 GLY H 1 85 PHE QD . . 5.140 4.841 4.541 5.129 . 0 0 "[ . 1 . 2]" 1
656 1 41 GLY H 1 85 PHE QE . . 4.050 2.849 2.258 3.583 . 0 0 "[ . 1 . 2]" 1
657 1 41 GLY QA 1 42 VAL MG2 . . 3.810 3.197 3.061 3.365 . 0 0 "[ . 1 . 2]" 1
658 1 41 GLY QA 1 85 PHE QD . . 4.330 3.810 3.395 4.137 . 0 0 "[ . 1 . 2]" 1
659 1 41 GLY QA 1 85 PHE QE . . 4.500 2.978 2.204 3.544 . 0 0 "[ . 1 . 2]" 1
660 1 41 GLY QA 1 86 ASN QD . . 3.350 2.116 1.821 2.680 . 0 0 "[ . 1 . 2]" 1
661 1 41 GLY HA2 1 42 VAL H . . 3.210 2.983 2.682 3.171 . 0 0 "[ . 1 . 2]" 1
662 1 41 GLY HA2 1 42 VAL MG2 . . 4.400 3.375 3.220 3.515 . 0 0 "[ . 1 . 2]" 1
663 1 41 GLY HA2 1 86 ASN HD21 . . 4.510 3.283 1.977 4.458 . 0 0 "[ . 1 . 2]" 1
664 1 41 GLY HA2 1 86 ASN HD22 . . 4.510 3.139 1.930 4.222 . 0 0 "[ . 1 . 2]" 1
665 1 41 GLY HA3 1 42 VAL H . . 3.210 2.236 2.147 2.449 . 0 0 "[ . 1 . 2]" 1
666 1 41 GLY HA3 1 42 VAL MG2 . . 4.400 3.965 3.782 4.299 . 0 0 "[ . 1 . 2]" 1
667 1 41 GLY HA3 1 86 ASN HD21 . . 4.510 3.013 2.320 3.813 . 0 0 "[ . 1 . 2]" 1
668 1 41 GLY HA3 1 86 ASN HD22 . . 4.510 3.269 2.023 4.486 . 0 0 "[ . 1 . 2]" 1
669 1 42 VAL H 1 42 VAL HB . . 3.260 2.692 2.554 2.770 . 0 0 "[ . 1 . 2]" 1
670 1 42 VAL H 1 42 VAL MG1 . . 3.890 3.866 3.813 3.907 0.017 5 0 "[ . 1 . 2]" 1
671 1 42 VAL H 1 42 VAL MG2 . . 3.390 2.799 2.469 2.980 . 0 0 "[ . 1 . 2]" 1
672 1 42 VAL H 1 43 ILE H . . 4.500 4.313 4.104 4.439 . 0 0 "[ . 1 . 2]" 1
673 1 42 VAL H 1 85 PHE HA . . 4.870 3.744 3.086 4.497 . 0 0 "[ . 1 . 2]" 1
674 1 42 VAL H 1 85 PHE QD . . 4.630 3.609 2.983 4.366 . 0 0 "[ . 1 . 2]" 1
675 1 42 VAL H 1 85 PHE QE . . 4.750 3.602 2.930 4.695 . 0 0 "[ . 1 . 2]" 1
676 1 42 VAL H 1 86 ASN H . . 3.800 2.704 2.043 3.471 . 0 0 "[ . 1 . 2]" 1
677 1 42 VAL H 1 86 ASN HA . . 4.120 3.581 2.914 4.123 0.003 12 0 "[ . 1 . 2]" 1
678 1 42 VAL H 1 86 ASN HD21 . . 4.840 3.830 2.927 4.822 . 0 0 "[ . 1 . 2]" 1
679 1 42 VAL H 1 86 ASN QD . . 4.040 3.334 2.786 3.885 . 0 0 "[ . 1 . 2]" 1
680 1 42 VAL H 1 86 ASN HD22 . . 4.840 4.188 2.838 4.822 . 0 0 "[ . 1 . 2]" 1
681 1 42 VAL HA 1 42 VAL MG1 . . 3.260 2.402 2.259 2.475 . 0 0 "[ . 1 . 2]" 1
682 1 42 VAL HA 1 42 VAL MG2 . . 3.150 2.366 2.282 2.451 . 0 0 "[ . 1 . 2]" 1
683 1 42 VAL HA 1 43 ILE H . . 2.850 2.156 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
684 1 42 VAL HA 1 43 ILE HB . . 4.640 4.574 4.458 4.636 . 0 0 "[ . 1 . 2]" 1
685 1 42 VAL HA 1 43 ILE HG12 . . 4.870 3.829 3.652 4.250 . 0 0 "[ . 1 . 2]" 1
686 1 42 VAL HB 1 43 ILE H . . 4.350 4.172 3.926 4.350 0.000 18 0 "[ . 1 . 2]" 1
687 1 42 VAL HB 1 86 ASN H . . 3.880 3.495 2.978 3.871 . 0 0 "[ . 1 . 2]" 1
688 1 42 VAL HB 1 86 ASN HA . . 4.340 3.996 3.362 4.332 . 0 0 "[ . 1 . 2]" 1
689 1 42 VAL MG1 1 43 ILE H . . 3.590 2.535 2.185 2.881 . 0 0 "[ . 1 . 2]" 1
690 1 42 VAL MG2 1 43 ILE H . . 4.150 4.049 3.854 4.143 . 0 0 "[ . 1 . 2]" 1
691 1 43 ILE H 1 43 ILE HB . . 3.340 2.485 2.336 2.559 . 0 0 "[ . 1 . 2]" 1
692 1 43 ILE H 1 43 ILE HG12 . . 4.300 2.604 2.369 2.937 . 0 0 "[ . 1 . 2]" 1
693 1 43 ILE H 1 43 ILE HG13 . . 4.370 3.731 3.478 4.089 . 0 0 "[ . 1 . 2]" 1
694 1 43 ILE H 1 43 ILE MG . . 4.020 3.777 3.701 3.814 . 0 0 "[ . 1 . 2]" 1
695 1 43 ILE HA 1 43 ILE MD . . 3.780 2.183 1.985 2.327 . 0 0 "[ . 1 . 2]" 1
696 1 43 ILE HA 1 43 ILE MG . . 3.590 2.407 2.323 2.482 . 0 0 "[ . 1 . 2]" 1
697 1 43 ILE HA 1 44 ASP H . . 3.080 2.147 2.138 2.190 . 0 0 "[ . 1 . 2]" 1
698 1 43 ILE HA 1 85 PHE HA . . 4.050 3.199 2.759 3.581 . 0 0 "[ . 1 . 2]" 1
699 1 43 ILE HB 1 43 ILE MD . . 3.700 3.202 3.183 3.224 . 0 0 "[ . 1 . 2]" 1
700 1 43 ILE HB 1 44 ASP H . . 4.850 4.272 4.082 4.409 . 0 0 "[ . 1 . 2]" 1
701 1 43 ILE MD 1 44 ASP H . . 4.520 3.614 3.378 3.833 . 0 0 "[ . 1 . 2]" 1
702 1 43 ILE MD 1 67 HIS HD2 . . 4.130 3.794 3.379 4.082 . 0 0 "[ . 1 . 2]" 1
703 1 43 ILE MD 1 83 VAL MG1 . . 3.080 2.740 2.264 2.958 . 0 0 "[ . 1 . 2]" 1
704 1 43 ILE MD 1 85 PHE HA . . 4.570 3.291 2.706 3.623 . 0 0 "[ . 1 . 2]" 1
705 1 43 ILE MD 1 85 PHE QB . . 3.560 2.772 2.272 3.375 . 0 0 "[ . 1 . 2]" 1
706 1 43 ILE MD 1 85 PHE QD . . 3.510 2.147 1.817 2.805 . 0 0 "[ . 1 . 2]" 1
707 1 43 ILE HG12 1 43 ILE MG . . 3.590 3.175 3.160 3.193 . 0 0 "[ . 1 . 2]" 1
708 1 43 ILE HG12 1 44 ASP H . . 5.500 4.867 4.670 5.184 . 0 0 "[ . 1 . 2]" 1
709 1 43 ILE HG12 1 85 PHE HA . . 5.160 4.532 3.895 5.159 . 0 0 "[ . 1 . 2]" 1
710 1 43 ILE HG12 1 85 PHE QD . . 4.250 2.723 2.200 3.935 . 0 0 "[ . 1 . 2]" 1
711 1 43 ILE HG13 1 43 ILE MG . . 3.660 2.512 2.173 2.587 . 0 0 "[ . 1 . 2]" 1
712 1 43 ILE HG13 1 67 HIS HD2 . . 4.740 2.397 2.004 3.039 . 0 0 "[ . 1 . 2]" 1
713 1 43 ILE HG13 1 85 PHE QD . . 4.420 4.072 3.693 4.373 . 0 0 "[ . 1 . 2]" 1
714 1 43 ILE MG 1 44 ASP H . . 3.670 2.711 2.392 3.011 . 0 0 "[ . 1 . 2]" 1
715 1 43 ILE MG 1 44 ASP HA . . 4.420 3.689 3.461 3.814 . 0 0 "[ . 1 . 2]" 1
716 1 43 ILE MG 1 45 ALA H . . 4.630 3.953 3.655 4.374 . 0 0 "[ . 1 . 2]" 1
717 1 43 ILE MG 1 45 ALA MB . . 3.920 3.277 3.051 3.502 . 0 0 "[ . 1 . 2]" 1
718 1 43 ILE MG 1 67 HIS QB . . 4.730 2.919 2.498 3.299 . 0 0 "[ . 1 . 2]" 1
719 1 43 ILE MG 1 84 LYS H . . 4.640 3.846 3.530 4.264 . 0 0 "[ . 1 . 2]" 1
720 1 43 ILE MG 1 85 PHE QD . . 4.660 4.158 3.896 4.609 . 0 0 "[ . 1 . 2]" 1
721 1 44 ASP H 1 44 ASP HB2 . . 3.920 2.626 2.319 3.294 . 0 0 "[ . 1 . 2]" 1
722 1 44 ASP H 1 44 ASP HB3 . . 3.920 3.263 2.340 3.774 . 0 0 "[ . 1 . 2]" 1
723 1 44 ASP H 1 45 ALA MB . . 5.500 4.987 4.872 5.119 . 0 0 "[ . 1 . 2]" 1
724 1 44 ASP H 1 84 LYS H . . 3.970 2.738 2.493 3.035 . 0 0 "[ . 1 . 2]" 1
725 1 44 ASP H 1 84 LYS HB2 . . 4.650 3.645 3.197 3.954 . 0 0 "[ . 1 . 2]" 1
726 1 44 ASP H 1 85 PHE HA . . 4.500 4.110 3.846 4.490 . 0 0 "[ . 1 . 2]" 1
727 1 44 ASP HA 1 45 ALA H . . 2.890 2.154 2.139 2.225 . 0 0 "[ . 1 . 2]" 1
728 1 44 ASP HA 1 45 ALA HA . . 4.580 4.399 4.391 4.424 . 0 0 "[ . 1 . 2]" 1
729 1 44 ASP HA 1 45 ALA MB . . 4.120 3.956 3.805 4.030 . 0 0 "[ . 1 . 2]" 1
730 1 44 ASP HA 1 59 VAL MG1 . . 3.840 3.206 2.773 3.735 . 0 0 "[ . 1 . 2]" 1
731 1 44 ASP QB 1 45 ALA H . . 3.960 3.492 2.895 3.876 . 0 0 "[ . 1 . 2]" 1
732 1 44 ASP QB 1 84 LYS H . . 4.110 2.870 2.347 3.440 . 0 0 "[ . 1 . 2]" 1
733 1 44 ASP QB 1 84 LYS HB3 . . 4.350 3.748 3.425 4.104 . 0 0 "[ . 1 . 2]" 1
734 1 44 ASP HB2 1 45 ALA H . . 4.580 4.323 3.888 4.513 . 0 0 "[ . 1 . 2]" 1
735 1 44 ASP HB2 1 84 LYS H . . 4.900 3.463 2.363 4.576 . 0 0 "[ . 1 . 2]" 1
736 1 44 ASP HB2 1 84 LYS HB2 . . 4.040 2.887 2.067 3.867 . 0 0 "[ . 1 . 2]" 1
737 1 44 ASP HB3 1 45 ALA H . . 4.580 3.724 2.987 4.513 . 0 0 "[ . 1 . 2]" 1
738 1 44 ASP HB3 1 84 LYS H . . 4.900 3.656 2.615 4.433 . 0 0 "[ . 1 . 2]" 1
739 1 44 ASP HB3 1 84 LYS HB2 . . 4.040 3.251 2.215 4.035 . 0 0 "[ . 1 . 2]" 1
740 1 45 ALA H 1 45 ALA MB . . 3.460 2.381 2.224 2.591 . 0 0 "[ . 1 . 2]" 1
741 1 45 ALA H 1 59 VAL MG1 . . 3.910 2.750 2.127 3.231 . 0 0 "[ . 1 . 2]" 1
742 1 45 ALA HA 1 46 ARG H . . 2.860 2.172 2.142 2.226 . 0 0 "[ . 1 . 2]" 1
743 1 45 ALA HA 1 81 ILE MG . . 4.710 3.585 3.316 3.809 . 0 0 "[ . 1 . 2]" 1
744 1 45 ALA HA 1 83 VAL HA . . 3.720 3.194 2.675 3.598 . 0 0 "[ . 1 . 2]" 1
745 1 45 ALA HA 1 84 LYS H . . 4.780 4.458 3.955 4.766 . 0 0 "[ . 1 . 2]" 1
746 1 45 ALA MB 1 46 ARG H . . 3.610 3.049 2.858 3.320 . 0 0 "[ . 1 . 2]" 1
747 1 45 ALA MB 1 57 CYS H . . 4.290 4.139 3.932 4.263 . 0 0 "[ . 1 . 2]" 1
748 1 45 ALA MB 1 57 CYS HB2 . . 3.740 2.128 1.963 2.639 . 0 0 "[ . 1 . 2]" 1
749 1 45 ALA MB 1 57 CYS QB . . 3.140 2.037 1.914 2.331 . 0 0 "[ . 1 . 2]" 1
750 1 45 ALA MB 1 57 CYS HB3 . . 3.740 2.729 2.264 3.267 . 0 0 "[ . 1 . 2]" 1
751 1 45 ALA MB 1 59 VAL MG1 . . 3.350 3.015 2.644 3.350 0.000 17 0 "[ . 1 . 2]" 1
752 1 45 ALA MB 1 69 ILE HB . . 4.930 4.019 3.848 4.168 . 0 0 "[ . 1 . 2]" 1
753 1 45 ALA MB 1 69 ILE MD . . 2.980 2.251 1.894 2.570 . 0 0 "[ . 1 . 2]" 1
754 1 45 ALA MB 1 69 ILE MG . . 2.970 1.880 1.745 2.045 . 0 0 "[ . 1 . 2]" 1
755 1 45 ALA MB 1 71 PHE QE . . 3.820 3.605 3.350 3.758 . 0 0 "[ . 1 . 2]" 1
756 1 46 ARG H 1 46 ARG QB . . 3.800 2.736 2.581 2.836 . 0 0 "[ . 1 . 2]" 1
757 1 46 ARG H 1 46 ARG QG . . 3.800 3.486 3.330 3.631 . 0 0 "[ . 1 . 2]" 1
758 1 46 ARG H 1 81 ILE MG . . 4.080 3.119 3.026 3.364 . 0 0 "[ . 1 . 2]" 1
759 1 46 ARG H 1 82 ASP H . . 3.750 2.870 2.591 3.126 . 0 0 "[ . 1 . 2]" 1
760 1 46 ARG H 1 82 ASP QB . . 3.730 3.227 2.924 3.508 . 0 0 "[ . 1 . 2]" 1
761 1 46 ARG H 1 83 VAL HA . . 4.650 4.430 4.143 4.600 . 0 0 "[ . 1 . 2]" 1
762 1 46 ARG HA 1 46 ARG QD . . 4.170 3.575 2.229 4.051 . 0 0 "[ . 1 . 2]" 1
763 1 46 ARG HA 1 47 VAL H . . 3.010 2.148 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
764 1 46 ARG HA 1 47 VAL MG2 . . 4.140 3.622 3.367 3.765 . 0 0 "[ . 1 . 2]" 1
765 1 46 ARG HA 1 56 GLU HA . . 3.840 3.073 2.611 3.556 . 0 0 "[ . 1 . 2]" 1
766 1 46 ARG HA 1 57 CYS H . . 3.540 3.146 2.438 3.539 . 0 0 "[ . 1 . 2]" 1
767 1 46 ARG QB 1 46 ARG QD . . 3.390 2.147 2.061 2.391 . 0 0 "[ . 1 . 2]" 1
768 1 46 ARG QB 1 47 VAL H . . 3.690 3.272 3.087 3.357 . 0 0 "[ . 1 . 2]" 1
769 1 46 ARG QB 1 54 VAL MG1 . . 3.400 3.212 2.995 3.344 . 0 0 "[ . 1 . 2]" 1
770 1 46 ARG QB 1 56 GLU HA . . 4.530 4.007 3.315 4.510 . 0 0 "[ . 1 . 2]" 1
771 1 46 ARG QB 1 82 ASP H . . 4.490 3.501 3.332 3.637 . 0 0 "[ . 1 . 2]" 1
772 1 46 ARG QB 1 82 ASP HB2 . . 4.780 2.950 2.037 3.936 . 0 0 "[ . 1 . 2]" 1
773 1 46 ARG QB 1 82 ASP QB . . 4.050 2.290 1.987 2.604 . 0 0 "[ . 1 . 2]" 1
774 1 46 ARG QB 1 82 ASP HB3 . . 4.780 2.937 1.999 3.932 . 0 0 "[ . 1 . 2]" 1
775 1 46 ARG QD 1 54 VAL MG1 . . 3.420 2.809 2.446 3.420 . 0 0 "[ . 1 . 2]" 1
776 1 46 ARG QD 1 56 GLU HA . . 4.190 3.540 1.965 4.173 . 0 0 "[ . 1 . 2]" 1
777 1 46 ARG QG 1 47 VAL H . . 4.460 4.002 3.666 4.410 . 0 0 "[ . 1 . 2]" 1
778 1 46 ARG QG 1 56 GLU HA . . 3.970 2.900 2.167 3.906 . 0 0 "[ . 1 . 2]" 1
779 1 46 ARG QG 1 57 CYS H . . 4.410 3.277 2.603 3.988 . 0 0 "[ . 1 . 2]" 1
780 1 47 VAL H 1 47 VAL HB . . 3.700 3.644 3.586 3.714 0.014 9 0 "[ . 1 . 2]" 1
781 1 47 VAL H 1 47 VAL MG1 . . 3.810 2.846 2.665 3.081 . 0 0 "[ . 1 . 2]" 1
782 1 47 VAL H 1 47 VAL MG2 . . 3.330 1.936 1.855 2.084 . 0 0 "[ . 1 . 2]" 1
783 1 47 VAL H 1 48 HIS H . . 4.890 4.549 4.504 4.569 . 0 0 "[ . 1 . 2]" 1
784 1 47 VAL H 1 54 VAL MG1 . . 4.820 4.734 4.529 4.816 . 0 0 "[ . 1 . 2]" 1
785 1 47 VAL H 1 55 GLU HB2 . . 4.230 3.949 3.673 4.221 . 0 0 "[ . 1 . 2]" 1
786 1 47 VAL H 1 55 GLU HB3 . . 4.490 4.122 3.829 4.445 . 0 0 "[ . 1 . 2]" 1
787 1 47 VAL H 1 56 GLU HA . . 4.650 3.633 3.132 4.200 . 0 0 "[ . 1 . 2]" 1
788 1 47 VAL H 1 57 CYS H . . 4.480 4.264 3.784 4.481 0.001 1 0 "[ . 1 . 2]" 1
789 1 47 VAL HA 1 47 VAL MG1 . . 3.600 2.249 2.145 2.332 . 0 0 "[ . 1 . 2]" 1
790 1 47 VAL HA 1 47 VAL MG2 . . 3.710 3.184 3.161 3.200 . 0 0 "[ . 1 . 2]" 1
791 1 47 VAL HA 1 48 HIS H . . 3.370 2.233 2.195 2.291 . 0 0 "[ . 1 . 2]" 1
792 1 47 VAL HA 1 48 HIS HD2 . . 4.210 3.411 2.897 4.133 . 0 0 "[ . 1 . 2]" 1
793 1 47 VAL HA 1 80 SER H . . 4.400 4.140 3.885 4.327 . 0 0 "[ . 1 . 2]" 1
794 1 47 VAL HA 1 81 ILE QG . . 5.340 4.607 4.414 4.817 . 0 0 "[ . 1 . 2]" 1
795 1 47 VAL HA 1 81 ILE MG . . 4.240 3.811 3.636 3.980 . 0 0 "[ . 1 . 2]" 1
796 1 47 VAL HA 1 82 ASP H . . 4.070 3.562 3.346 3.889 . 0 0 "[ . 1 . 2]" 1
797 1 47 VAL HB 1 48 HIS H . . 4.570 2.871 2.725 3.010 . 0 0 "[ . 1 . 2]" 1
798 1 47 VAL HB 1 55 GLU H . . 5.360 5.144 4.939 5.358 . 0 0 "[ . 1 . 2]" 1
799 1 47 VAL HB 1 55 GLU HB2 . . 4.140 3.931 3.621 4.144 0.004 9 0 "[ . 1 . 2]" 1
800 1 47 VAL HB 1 55 GLU HB3 . . 5.030 4.820 4.434 5.031 0.001 2 0 "[ . 1 . 2]" 1
801 1 47 VAL MG1 1 48 HIS H . . 3.850 3.682 3.320 3.850 . 0 0 "[ . 1 . 2]" 1
802 1 47 VAL MG1 1 71 PHE HB2 . . 4.390 3.027 2.533 3.385 . 0 0 "[ . 1 . 2]" 1
803 1 47 VAL MG1 1 71 PHE HB3 . . 4.390 3.474 3.082 4.010 . 0 0 "[ . 1 . 2]" 1
804 1 47 VAL MG1 1 71 PHE QD . . 4.020 2.909 2.672 3.135 . 0 0 "[ . 1 . 2]" 1
805 1 47 VAL MG1 1 71 PHE QE . . 4.230 3.132 2.859 3.357 . 0 0 "[ . 1 . 2]" 1
806 1 47 VAL MG1 1 71 PHE HZ . . 4.850 3.662 3.305 3.912 . 0 0 "[ . 1 . 2]" 1
807 1 47 VAL MG1 1 79 HIS HB2 . . 3.880 3.699 3.347 3.861 . 0 0 "[ . 1 . 2]" 1
808 1 47 VAL MG1 1 79 HIS HB3 . . 3.680 3.334 2.743 3.675 . 0 0 "[ . 1 . 2]" 1
809 1 47 VAL MG1 1 79 HIS HD2 . . 3.880 3.720 3.317 3.881 0.001 10 0 "[ . 1 . 2]" 1
810 1 47 VAL MG1 1 80 SER H . . 4.900 4.691 3.893 4.860 . 0 0 "[ . 1 . 2]" 1
811 1 47 VAL MG1 1 81 ILE HA . . 3.870 2.999 2.595 3.399 . 0 0 "[ . 1 . 2]" 1
812 1 47 VAL MG1 1 81 ILE HG12 . . 4.230 3.934 3.612 4.060 . 0 0 "[ . 1 . 2]" 1
813 1 47 VAL MG1 1 81 ILE QG . . 3.630 3.554 3.389 3.628 . 0 0 "[ . 1 . 2]" 1
814 1 47 VAL MG1 1 81 ILE HG13 . . 4.230 4.061 3.926 4.184 . 0 0 "[ . 1 . 2]" 1
815 1 47 VAL MG1 1 81 ILE MG . . 2.900 2.718 2.462 2.900 0.000 14 0 "[ . 1 . 2]" 1
816 1 47 VAL MG2 1 48 HIS H . . 3.970 3.910 3.750 3.971 0.001 18 0 "[ . 1 . 2]" 1
817 1 47 VAL MG2 1 49 THR MG . . 3.920 3.576 3.188 3.805 . 0 0 "[ . 1 . 2]" 1
818 1 47 VAL MG2 1 55 GLU H . . 4.020 3.379 3.139 3.668 . 0 0 "[ . 1 . 2]" 1
819 1 47 VAL MG2 1 55 GLU HB2 . . 3.370 2.005 1.869 2.302 . 0 0 "[ . 1 . 2]" 1
820 1 47 VAL MG2 1 55 GLU HB3 . . 3.930 2.316 2.073 2.570 . 0 0 "[ . 1 . 2]" 1
821 1 47 VAL MG2 1 55 GLU HG2 . . 4.560 3.951 3.173 4.472 . 0 0 "[ . 1 . 2]" 1
822 1 47 VAL MG2 1 55 GLU HG3 . . 4.560 3.640 2.952 4.283 . 0 0 "[ . 1 . 2]" 1
823 1 47 VAL MG2 1 57 CYS H . . 4.690 4.474 4.177 4.691 0.001 7 0 "[ . 1 . 2]" 1
824 1 47 VAL MG2 1 71 PHE HB2 . . 4.660 2.907 2.436 3.268 . 0 0 "[ . 1 . 2]" 1
825 1 47 VAL MG2 1 71 PHE QB . . 4.040 2.767 2.350 3.079 . 0 0 "[ . 1 . 2]" 1
826 1 47 VAL MG2 1 71 PHE HB3 . . 4.660 3.497 3.092 3.998 . 0 0 "[ . 1 . 2]" 1
827 1 47 VAL MG2 1 71 PHE QD . . 4.200 3.721 3.443 3.999 . 0 0 "[ . 1 . 2]" 1
828 1 47 VAL MG2 1 79 HIS HB2 . . 5.460 5.348 5.041 5.459 . 0 0 "[ . 1 . 2]" 1
829 1 47 VAL MG2 1 79 HIS HB3 . . 4.770 4.472 4.065 4.657 . 0 0 "[ . 1 . 2]" 1
830 1 47 VAL MG2 1 79 HIS HD2 . . 3.770 3.463 3.004 3.728 . 0 0 "[ . 1 . 2]" 1
831 1 48 HIS H 1 48 HIS HB2 . . 3.680 2.488 2.414 2.557 . 0 0 "[ . 1 . 2]" 1
832 1 48 HIS H 1 48 HIS HB3 . . 3.890 3.686 3.638 3.727 . 0 0 "[ . 1 . 2]" 1
833 1 48 HIS H 1 48 HIS HD2 . . 3.730 3.087 2.707 3.636 . 0 0 "[ . 1 . 2]" 1
834 1 48 HIS H 1 49 THR H . . 4.870 4.289 4.191 4.399 . 0 0 "[ . 1 . 2]" 1
835 1 48 HIS H 1 79 HIS HA . . 4.920 4.278 4.010 4.547 . 0 0 "[ . 1 . 2]" 1
836 1 48 HIS H 1 80 SER H . . 3.900 2.487 2.270 2.674 . 0 0 "[ . 1 . 2]" 1
837 1 48 HIS H 1 80 SER HB2 . . 4.890 3.817 3.259 4.830 . 0 0 "[ . 1 . 2]" 1
838 1 48 HIS H 1 80 SER HB3 . . 4.890 4.076 3.235 4.779 . 0 0 "[ . 1 . 2]" 1
839 1 48 HIS H 1 81 ILE HA . . 5.240 4.176 4.020 4.401 . 0 0 "[ . 1 . 2]" 1
840 1 48 HIS H 1 82 ASP H . . 5.170 4.918 4.553 5.116 . 0 0 "[ . 1 . 2]" 1
841 1 48 HIS HA 1 49 THR H . . 2.840 2.144 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
842 1 48 HIS HA 1 49 THR MG . . 4.170 3.791 3.409 4.049 . 0 0 "[ . 1 . 2]" 1
843 1 48 HIS HA 1 54 VAL HA . . 3.840 2.961 2.673 3.159 . 0 0 "[ . 1 . 2]" 1
844 1 48 HIS HA 1 54 VAL MG2 . . 4.290 4.051 3.647 4.195 . 0 0 "[ . 1 . 2]" 1
845 1 48 HIS HA 1 55 GLU H . . 3.190 2.988 2.552 3.185 . 0 0 "[ . 1 . 2]" 1
846 1 48 HIS HB2 1 49 THR H . . 4.530 4.377 4.248 4.463 . 0 0 "[ . 1 . 2]" 1
847 1 48 HIS HB2 1 80 SER H . . 3.870 2.744 2.210 3.021 . 0 0 "[ . 1 . 2]" 1
848 1 48 HIS HB2 1 80 SER HB2 . . 3.680 2.401 2.000 3.410 . 0 0 "[ . 1 . 2]" 1
849 1 48 HIS HB2 1 80 SER HB3 . . 3.680 3.003 2.126 3.464 . 0 0 "[ . 1 . 2]" 1
850 1 48 HIS HB3 1 49 THR H . . 4.140 3.508 3.285 3.686 . 0 0 "[ . 1 . 2]" 1
851 1 48 HIS HB3 1 80 SER H . . 4.430 4.189 3.627 4.401 . 0 0 "[ . 1 . 2]" 1
852 1 48 HIS HB3 1 80 SER HB2 . . 4.870 3.844 3.378 4.871 0.001 9 0 "[ . 1 . 2]" 1
853 1 48 HIS HB3 1 80 SER QB . . 3.990 3.490 3.316 3.786 . 0 0 "[ . 1 . 2]" 1
854 1 48 HIS HB3 1 80 SER HB3 . . 4.870 4.542 3.611 4.872 0.002 1 0 "[ . 1 . 2]" 1
855 1 48 HIS HD2 1 80 SER HB2 . . 4.850 4.008 3.585 4.848 . 0 0 "[ . 1 . 2]" 1
856 1 48 HIS HD2 1 80 SER QB . . 4.240 3.159 2.337 3.664 . 0 0 "[ . 1 . 2]" 1
857 1 48 HIS HD2 1 80 SER HB3 . . 4.850 3.424 2.351 4.044 . 0 0 "[ . 1 . 2]" 1
858 1 48 HIS HD2 1 81 ILE HA . . 4.480 4.229 3.925 4.467 . 0 0 "[ . 1 . 2]" 1
859 1 48 HIS HD2 1 82 ASP H . . 4.570 3.484 3.209 3.808 . 0 0 "[ . 1 . 2]" 1
860 1 48 HIS HE1 1 54 VAL MG2 . . 4.250 2.689 1.975 3.523 . 0 0 "[ . 1 . 2]" 1
861 1 49 THR H 1 49 THR MG . . 3.250 2.346 2.093 2.649 . 0 0 "[ . 1 . 2]" 1
862 1 49 THR H 1 50 PRO HD3 . . 5.180 5.010 4.978 5.055 . 0 0 "[ . 1 . 2]" 1
863 1 49 THR H 1 52 GLY H . . 4.770 4.561 4.333 4.759 . 0 0 "[ . 1 . 2]" 1
864 1 49 THR H 1 53 ALA H . . 3.940 3.684 3.479 3.865 . 0 0 "[ . 1 . 2]" 1
865 1 49 THR H 1 53 ALA MB . . 4.470 4.268 4.015 4.460 . 0 0 "[ . 1 . 2]" 1
866 1 49 THR H 1 54 VAL HA . . 4.100 3.633 3.340 3.836 . 0 0 "[ . 1 . 2]" 1
867 1 49 THR H 1 54 VAL MG2 . . 4.960 4.796 4.216 4.959 . 0 0 "[ . 1 . 2]" 1
868 1 49 THR H 1 55 GLU H . . 4.830 3.452 3.073 3.693 . 0 0 "[ . 1 . 2]" 1
869 1 49 THR HA 1 49 THR MG . . 3.650 2.346 2.216 2.507 . 0 0 "[ . 1 . 2]" 1
870 1 49 THR HA 1 50 PRO HD2 . . 3.650 2.320 2.258 2.404 . 0 0 "[ . 1 . 2]" 1
871 1 49 THR HA 1 50 PRO HD3 . . 3.420 2.276 2.261 2.301 . 0 0 "[ . 1 . 2]" 1
872 1 49 THR HA 1 50 PRO QG . . 4.540 3.954 3.917 4.004 . 0 0 "[ . 1 . 2]" 1
873 1 49 THR HA 1 79 HIS HD2 . . 4.490 3.675 3.208 4.078 . 0 0 "[ . 1 . 2]" 1
874 1 49 THR HB 1 50 PRO HD2 . . 3.590 2.129 2.000 2.307 . 0 0 "[ . 1 . 2]" 1
875 1 49 THR HB 1 50 PRO HD3 . . 3.830 3.561 3.448 3.715 . 0 0 "[ . 1 . 2]" 1
876 1 49 THR HB 1 51 SER H . . 4.060 2.508 2.314 2.752 . 0 0 "[ . 1 . 2]" 1
877 1 49 THR HB 1 52 GLY H . . 4.590 3.803 3.463 4.449 . 0 0 "[ . 1 . 2]" 1
878 1 49 THR HG1 1 51 SER H . . 3.860 2.962 2.055 3.568 . 0 0 "[ . 1 . 2]" 1
879 1 49 THR HG1 1 52 GLY H . . 4.760 2.549 1.903 3.351 . 0 0 "[ . 1 . 2]" 1
880 1 49 THR HG1 1 53 ALA H . . 3.890 2.033 1.899 2.491 . 0 0 "[ . 1 . 2]" 1
881 1 49 THR HG1 1 53 ALA MB . . 4.280 2.671 1.979 3.427 . 0 0 "[ . 1 . 2]" 1
882 1 49 THR MG 1 50 PRO HD2 . . 4.230 3.174 2.712 3.567 . 0 0 "[ . 1 . 2]" 1
883 1 49 THR MG 1 50 PRO HD3 . . 4.440 3.943 3.556 4.287 . 0 0 "[ . 1 . 2]" 1
884 1 49 THR MG 1 51 SER H . . 4.710 4.097 3.997 4.207 . 0 0 "[ . 1 . 2]" 1
885 1 49 THR MG 1 53 ALA H . . 4.360 3.886 3.633 4.238 . 0 0 "[ . 1 . 2]" 1
886 1 49 THR MG 1 55 GLU H . . 4.400 3.602 3.042 4.104 . 0 0 "[ . 1 . 2]" 1
887 1 49 THR MG 1 55 GLU HB2 . . 4.140 3.036 2.695 3.360 . 0 0 "[ . 1 . 2]" 1
888 1 49 THR MG 1 55 GLU HB3 . . 4.730 4.145 3.821 4.433 . 0 0 "[ . 1 . 2]" 1
889 1 49 THR MG 1 55 GLU HG2 . . 4.020 2.911 1.971 3.991 . 0 0 "[ . 1 . 2]" 1
890 1 49 THR MG 1 55 GLU HG3 . . 4.020 2.675 2.039 3.951 . 0 0 "[ . 1 . 2]" 1
891 1 49 THR MG 1 79 HIS HD2 . . 3.830 3.437 2.746 3.825 . 0 0 "[ . 1 . 2]" 1
892 1 50 PRO QB 1 51 SER H . . 3.710 3.613 3.505 3.676 . 0 0 "[ . 1 . 2]" 1
893 1 50 PRO HB2 1 51 SER H . . 4.470 3.830 3.696 3.909 . 0 0 "[ . 1 . 2]" 1
894 1 50 PRO HB3 1 51 SER H . . 4.470 4.428 4.351 4.473 0.003 9 0 "[ . 1 . 2]" 1
895 1 50 PRO HD2 1 51 SER H . . 4.290 2.875 2.762 2.956 . 0 0 "[ . 1 . 2]" 1
896 1 50 PRO HD2 1 75 GLU HB2 . . 5.040 4.216 2.885 5.022 . 0 0 "[ . 1 . 2]" 1
897 1 50 PRO HD2 1 75 GLU QB . . 4.360 3.289 2.333 4.253 . 0 0 "[ . 1 . 2]" 1
898 1 50 PRO HD2 1 75 GLU HB3 . . 5.040 3.889 2.359 5.025 . 0 0 "[ . 1 . 2]" 1
899 1 50 PRO HD2 1 75 GLU HG2 . . 4.990 3.919 2.573 4.981 . 0 0 "[ . 1 . 2]" 1
900 1 50 PRO HD2 1 75 GLU QG . . 4.320 3.270 2.177 4.137 . 0 0 "[ . 1 . 2]" 1
901 1 50 PRO HD2 1 75 GLU HG3 . . 4.990 3.825 2.322 4.940 . 0 0 "[ . 1 . 2]" 1
902 1 50 PRO HD2 1 79 HIS HE1 . . 4.830 3.936 3.565 4.336 . 0 0 "[ . 1 . 2]" 1
903 1 50 PRO HD3 1 51 SER H . . 4.520 3.963 3.903 4.005 . 0 0 "[ . 1 . 2]" 1
904 1 50 PRO HD3 1 75 GLU QB . . 5.340 4.352 3.449 5.271 . 0 0 "[ . 1 . 2]" 1
905 1 50 PRO HD3 1 75 GLU QG . . 5.170 4.235 2.973 4.937 . 0 0 "[ . 1 . 2]" 1
906 1 50 PRO HD3 1 79 HIS HD2 . . 4.700 4.500 4.239 4.674 . 0 0 "[ . 1 . 2]" 1
907 1 50 PRO HD3 1 79 HIS HE1 . . 4.310 3.252 2.849 3.475 . 0 0 "[ . 1 . 2]" 1
908 1 50 PRO QG 1 75 GLU QG . . 4.080 2.784 1.894 4.007 . 0 0 "[ . 1 . 2]" 1
909 1 50 PRO QG 1 79 HIS HE1 . . 4.170 3.356 2.973 3.657 . 0 0 "[ . 1 . 2]" 1
910 1 50 PRO HG2 1 79 HIS HE1 . . 4.820 4.696 4.302 4.821 0.001 9 0 "[ . 1 . 2]" 1
911 1 50 PRO HG3 1 79 HIS HE1 . . 4.820 3.440 3.030 3.804 . 0 0 "[ . 1 . 2]" 1
912 1 51 SER H 1 51 SER QB . . 3.330 2.421 2.203 2.944 . 0 0 "[ . 1 . 2]" 1
913 1 51 SER H 1 53 ALA H . . 4.450 3.802 3.294 4.010 . 0 0 "[ . 1 . 2]" 1
914 1 51 SER QB 1 52 GLY H . . 4.270 2.604 1.900 3.881 . 0 0 "[ . 1 . 2]" 1
915 1 51 SER QB 1 53 ALA H . . 4.340 3.538 3.157 4.313 . 0 0 "[ . 1 . 2]" 1
916 1 52 GLY H 1 53 ALA H . . 3.140 1.887 1.797 2.447 . 0 0 "[ . 1 . 2]" 1
917 1 52 GLY H 1 53 ALA MB . . 4.570 3.625 3.340 4.215 . 0 0 "[ . 1 . 2]" 1
918 1 53 ALA H 1 53 ALA MB . . 2.920 2.482 2.370 2.551 . 0 0 "[ . 1 . 2]" 1
919 1 53 ALA H 1 54 VAL H . . 4.320 4.297 4.188 4.342 0.022 9 0 "[ . 1 . 2]" 1
920 1 53 ALA HA 1 54 VAL H . . 2.760 2.149 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
921 1 53 ALA HA 1 54 VAL HB . . 4.950 4.596 4.508 4.662 . 0 0 "[ . 1 . 2]" 1
922 1 53 ALA HA 1 54 VAL MG2 . . 4.280 3.825 3.728 3.964 . 0 0 "[ . 1 . 2]" 1
923 1 53 ALA MB 1 54 VAL H . . 3.270 3.138 3.029 3.265 . 0 0 "[ . 1 . 2]" 1
924 1 54 VAL H 1 54 VAL HB . . 3.210 2.464 2.392 2.547 . 0 0 "[ . 1 . 2]" 1
925 1 54 VAL H 1 54 VAL MG1 . . 3.960 3.761 3.736 3.775 . 0 0 "[ . 1 . 2]" 1
926 1 54 VAL H 1 54 VAL MG2 . . 3.520 2.466 2.239 2.648 . 0 0 "[ . 1 . 2]" 1
927 1 54 VAL H 1 55 GLU H . . 4.560 4.349 4.290 4.473 . 0 0 "[ . 1 . 2]" 1
928 1 54 VAL HA 1 54 VAL MG1 . . 3.310 2.384 2.279 2.457 . 0 0 "[ . 1 . 2]" 1
929 1 54 VAL HA 1 54 VAL MG2 . . 3.450 2.250 2.178 2.321 . 0 0 "[ . 1 . 2]" 1
930 1 54 VAL HA 1 55 GLU H . . 2.940 2.159 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
931 1 54 VAL HA 1 55 GLU HB2 . . 4.390 4.353 4.302 4.391 0.001 19 0 "[ . 1 . 2]" 1
932 1 54 VAL HB 1 55 GLU H . . 4.470 4.398 4.304 4.464 . 0 0 "[ . 1 . 2]" 1
933 1 54 VAL MG1 1 55 GLU H . . 3.550 2.980 2.731 3.161 . 0 0 "[ . 1 . 2]" 1
934 1 54 VAL MG2 1 55 GLU H . . 4.150 4.104 3.993 4.152 0.002 5 0 "[ . 1 . 2]" 1
935 1 55 GLU H 1 55 GLU HB2 . . 3.620 2.238 2.204 2.275 . 0 0 "[ . 1 . 2]" 1
936 1 55 GLU H 1 55 GLU HB3 . . 4.120 3.514 3.487 3.539 . 0 0 "[ . 1 . 2]" 1
937 1 55 GLU H 1 55 GLU HG2 . . 4.540 3.612 2.931 4.296 . 0 0 "[ . 1 . 2]" 1
938 1 55 GLU H 1 55 GLU QG . . 3.760 3.128 2.860 3.734 . 0 0 "[ . 1 . 2]" 1
939 1 55 GLU H 1 55 GLU HG3 . . 4.540 3.769 3.006 4.369 . 0 0 "[ . 1 . 2]" 1
940 1 55 GLU HA 1 55 GLU HG2 . . 3.900 2.732 2.363 3.634 . 0 0 "[ . 1 . 2]" 1
941 1 55 GLU HA 1 55 GLU HG3 . . 3.900 3.185 2.310 3.659 . 0 0 "[ . 1 . 2]" 1
942 1 55 GLU HA 1 56 GLU H . . 2.900 2.443 2.330 2.532 . 0 0 "[ . 1 . 2]" 1
943 1 55 GLU HA 1 56 GLU HA . . 4.960 4.417 4.378 4.469 . 0 0 "[ . 1 . 2]" 1
944 1 55 GLU HB2 1 56 GLU H . . 4.140 3.794 3.612 3.998 . 0 0 "[ . 1 . 2]" 1
945 1 55 GLU HB3 1 56 GLU H . . 3.280 2.393 2.174 2.678 . 0 0 "[ . 1 . 2]" 1
946 1 55 GLU HG2 1 56 GLU H . . 4.590 4.074 3.367 4.590 . 0 0 "[ . 1 . 2]" 1
947 1 55 GLU HG3 1 56 GLU H . . 4.590 4.309 3.300 4.590 . 0 0 "[ . 1 . 2]" 1
948 1 56 GLU H 1 56 GLU HB2 . . 3.910 3.493 2.454 3.842 . 0 0 "[ . 1 . 2]" 1
949 1 56 GLU H 1 56 GLU QB . . 3.080 2.857 2.419 3.083 0.003 1 0 "[ . 1 . 2]" 1
950 1 56 GLU H 1 56 GLU HB3 . . 3.910 3.222 2.879 3.741 . 0 0 "[ . 1 . 2]" 1
951 1 56 GLU H 1 56 GLU QG . . 3.570 2.439 1.877 3.514 . 0 0 "[ . 1 . 2]" 1
952 1 56 GLU H 1 57 CYS H . . 4.720 4.480 4.408 4.526 . 0 0 "[ . 1 . 2]" 1
953 1 56 GLU HA 1 56 GLU QG . . 3.620 3.142 2.223 3.444 . 0 0 "[ . 1 . 2]" 1
954 1 56 GLU HA 1 57 CYS H . . 2.900 2.306 2.171 2.488 . 0 0 "[ . 1 . 2]" 1
955 1 56 GLU HA 1 57 CYS HA . . 5.320 4.381 4.340 4.433 . 0 0 "[ . 1 . 2]" 1
956 1 56 GLU QB 1 57 CYS H . . 3.670 2.668 2.286 3.073 . 0 0 "[ . 1 . 2]" 1
957 1 56 GLU HB2 1 57 CYS H . . 4.450 2.949 2.307 4.078 . 0 0 "[ . 1 . 2]" 1
958 1 56 GLU HB3 1 57 CYS H . . 4.450 3.650 2.767 4.184 . 0 0 "[ . 1 . 2]" 1
959 1 56 GLU QG 1 57 CYS H . . 4.200 3.809 3.173 4.196 . 0 0 "[ . 1 . 2]" 1
960 1 57 CYS H 1 57 CYS HB2 . . 3.960 2.695 2.433 3.634 . 0 0 "[ . 1 . 2]" 1
961 1 57 CYS H 1 57 CYS QB . . 3.340 2.529 2.357 2.711 . 0 0 "[ . 1 . 2]" 1
962 1 57 CYS H 1 57 CYS HB3 . . 3.960 3.585 2.390 3.806 . 0 0 "[ . 1 . 2]" 1
963 1 57 CYS H 1 58 TYR H . . 4.720 4.465 4.402 4.598 . 0 0 "[ . 1 . 2]" 1
964 1 57 CYS HA 1 58 TYR H . . 3.230 2.582 2.385 2.648 . 0 0 "[ . 1 . 2]" 1
965 1 57 CYS HA 1 71 PHE HB2 . . 4.730 3.894 3.626 4.507 . 0 0 "[ . 1 . 2]" 1
966 1 57 CYS HA 1 71 PHE QB . . 4.000 2.531 2.277 2.938 . 0 0 "[ . 1 . 2]" 1
967 1 57 CYS HA 1 71 PHE HB3 . . 4.730 2.565 2.301 2.977 . 0 0 "[ . 1 . 2]" 1
968 1 57 CYS QB 1 58 TYR H . . 3.160 2.113 1.940 2.614 . 0 0 "[ . 1 . 2]" 1
969 1 57 CYS QB 1 59 VAL MG1 . . 3.910 3.624 3.181 3.909 . 0 0 "[ . 1 . 2]" 1
970 1 57 CYS QB 1 69 ILE MG . . 3.230 2.097 1.865 2.418 . 0 0 "[ . 1 . 2]" 1
971 1 57 CYS QB 1 70 ARG H . . 4.700 3.175 2.744 3.625 . 0 0 "[ . 1 . 2]" 1
972 1 57 CYS HB2 1 59 VAL MG1 . . 4.740 3.825 3.360 4.277 . 0 0 "[ . 1 . 2]" 1
973 1 57 CYS HB2 1 69 ILE MG . . 3.790 2.817 1.883 3.364 . 0 0 "[ . 1 . 2]" 1
974 1 57 CYS HB3 1 59 VAL MG1 . . 4.740 4.529 3.935 4.739 . 0 0 "[ . 1 . 2]" 1
975 1 57 CYS HB3 1 69 ILE MG . . 3.790 2.269 1.944 3.049 . 0 0 "[ . 1 . 2]" 1
976 1 58 TYR H 1 58 TYR HB2 . . 3.520 2.971 2.777 3.230 . 0 0 "[ . 1 . 2]" 1
977 1 58 TYR H 1 58 TYR HB3 . . 3.650 2.696 2.482 2.825 . 0 0 "[ . 1 . 2]" 1
978 1 58 TYR H 1 58 TYR QD . . 4.370 4.309 4.140 4.374 0.004 13 0 "[ . 1 . 2]" 1
979 1 58 TYR H 1 59 VAL MG1 . . 4.720 4.387 3.665 4.556 . 0 0 "[ . 1 . 2]" 1
980 1 58 TYR H 1 69 ILE MG . . 4.510 2.912 2.581 3.196 . 0 0 "[ . 1 . 2]" 1
981 1 58 TYR H 1 70 ARG H . . 3.840 2.383 2.093 2.617 . 0 0 "[ . 1 . 2]" 1
982 1 58 TYR H 1 70 ARG HB2 . . 4.940 4.771 4.294 4.935 . 0 0 "[ . 1 . 2]" 1
983 1 58 TYR H 1 70 ARG HB3 . . 4.360 3.850 3.441 4.158 . 0 0 "[ . 1 . 2]" 1
984 1 58 TYR HA 1 58 TYR QD . . 3.740 2.863 2.069 3.170 . 0 0 "[ . 1 . 2]" 1
985 1 58 TYR HA 1 59 VAL MG1 . . 3.710 3.510 3.379 3.701 . 0 0 "[ . 1 . 2]" 1
986 1 58 TYR HB2 1 70 ARG H . . 4.580 4.265 3.979 4.545 . 0 0 "[ . 1 . 2]" 1
987 1 58 TYR HB2 1 70 ARG HB2 . . 4.870 4.810 4.569 4.872 0.002 9 0 "[ . 1 . 2]" 1
988 1 58 TYR HB2 1 70 ARG HB3 . . 4.010 3.336 3.192 3.497 . 0 0 "[ . 1 . 2]" 1
989 1 58 TYR HB3 1 70 ARG H . . 4.020 2.954 2.422 3.372 . 0 0 "[ . 1 . 2]" 1
990 1 58 TYR HB3 1 70 ARG HB2 . . 3.980 3.217 2.967 3.314 . 0 0 "[ . 1 . 2]" 1
991 1 58 TYR HB3 1 70 ARG HB3 . . 3.820 2.080 2.011 2.230 . 0 0 "[ . 1 . 2]" 1
992 1 58 TYR QD 1 59 VAL H . . 5.050 3.701 2.613 4.140 . 0 0 "[ . 1 . 2]" 1
993 1 58 TYR QD 1 59 VAL HA . . 4.910 3.775 3.075 4.477 . 0 0 "[ . 1 . 2]" 1
994 1 58 TYR QD 1 60 SER H . . 4.930 4.017 3.461 4.675 . 0 0 "[ . 1 . 2]" 1
995 1 58 TYR QD 1 70 ARG H . . 4.730 4.256 3.114 4.633 . 0 0 "[ . 1 . 2]" 1
996 1 58 TYR QD 1 70 ARG HB2 . . 3.970 3.493 2.090 3.970 . 0 0 "[ . 1 . 2]" 1
997 1 58 TYR QD 1 70 ARG HB3 . . 3.900 3.265 2.018 3.884 . 0 0 "[ . 1 . 2]" 1
998 1 58 TYR QD 1 70 ARG QD . . 4.590 4.061 2.725 4.537 . 0 0 "[ . 1 . 2]" 1
999 1 58 TYR QE 1 60 SER H . . 4.630 4.231 3.664 4.625 . 0 0 "[ . 1 . 2]" 1
1000 1 58 TYR QE 1 60 SER HA . . 4.730 4.358 2.721 4.705 . 0 0 "[ . 1 . 2]" 1
1001 1 58 TYR QE 1 60 SER QB . . 4.180 3.494 2.808 4.095 . 0 0 "[ . 1 . 2]" 1
1002 1 59 VAL H 1 59 VAL HB . . 4.090 3.400 3.243 3.858 . 0 0 "[ . 1 . 2]" 1
1003 1 59 VAL H 1 59 VAL MG1 . . 3.980 1.990 1.872 2.627 . 0 0 "[ . 1 . 2]" 1
1004 1 59 VAL HA 1 59 VAL MG1 . . 3.640 3.140 2.492 3.194 . 0 0 "[ . 1 . 2]" 1
1005 1 59 VAL HA 1 59 VAL MG2 . . 3.750 2.500 2.409 3.167 . 0 0 "[ . 1 . 2]" 1
1006 1 59 VAL HA 1 60 SER H . . 3.120 2.163 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
1007 1 59 VAL HA 1 60 SER QB . . 4.520 4.153 4.030 4.521 0.001 20 0 "[ . 1 . 2]" 1
1008 1 59 VAL HA 1 69 ILE MD . . 4.520 3.204 2.660 3.617 . 0 0 "[ . 1 . 2]" 1
1009 1 59 VAL HA 1 70 ARG H . . 4.730 4.501 4.318 4.704 . 0 0 "[ . 1 . 2]" 1
1010 1 59 VAL HB 1 60 SER H . . 4.780 4.193 3.268 4.396 . 0 0 "[ . 1 . 2]" 1
1011 1 59 VAL HB 1 69 ILE MD . . 3.970 2.119 1.862 2.782 . 0 0 "[ . 1 . 2]" 1
1012 1 59 VAL MG1 1 60 SER H . . 4.310 4.232 4.113 4.311 0.001 16 0 "[ . 1 . 2]" 1
1013 1 59 VAL MG1 1 69 ILE HA . . 4.760 4.387 2.470 4.669 . 0 0 "[ . 1 . 2]" 1
1014 1 59 VAL MG1 1 69 ILE MD . . 3.440 3.179 1.767 3.409 . 0 0 "[ . 1 . 2]" 1
1015 1 59 VAL MG2 1 60 SER H . . 3.610 2.891 2.283 3.611 0.001 8 0 "[ . 1 . 2]" 1
1016 1 59 VAL MG2 1 67 HIS HB2 . . 4.160 3.816 3.496 4.157 . 0 0 "[ . 1 . 2]" 1
1017 1 59 VAL MG2 1 67 HIS QB . . 3.550 2.389 1.974 3.036 . 0 0 "[ . 1 . 2]" 1
1018 1 59 VAL MG2 1 67 HIS HB3 . . 4.160 2.416 1.984 3.121 . 0 0 "[ . 1 . 2]" 1
1019 1 60 SER H 1 60 SER QB . . 3.630 2.289 2.171 2.657 . 0 0 "[ . 1 . 2]" 1
1020 1 60 SER H 1 68 THR H . . 4.540 3.861 2.505 4.540 . 0 0 "[ . 1 . 2]" 1
1021 1 60 SER H 1 68 THR HB . . 4.280 3.945 3.188 4.273 . 0 0 "[ . 1 . 2]" 1
1022 1 60 SER H 1 69 ILE MD . . 5.030 4.705 4.176 5.010 . 0 0 "[ . 1 . 2]" 1
1023 1 61 GLU HA 1 62 LEU H . . 3.220 2.424 2.228 2.624 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLU HA 1 62 LEU QB . . 5.090 4.215 4.130 4.340 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLU HA 1 67 HIS HE1 . . 4.540 3.695 2.869 4.414 . 0 0 "[ . 1 . 2]" 1
1026 1 61 GLU QB 1 62 LEU H . . 3.630 2.492 1.995 3.389 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLU HB2 1 62 LEU H . . 4.160 3.202 2.006 4.114 . 0 0 "[ . 1 . 2]" 1
1028 1 61 GLU HB3 1 62 LEU H . . 4.160 3.099 2.161 3.879 . 0 0 "[ . 1 . 2]" 1
1029 1 62 LEU H 1 62 LEU HB2 . . 3.410 2.576 2.305 2.842 . 0 0 "[ . 1 . 2]" 1
1030 1 62 LEU H 1 62 LEU HB3 . . 3.410 2.473 2.245 2.727 . 0 0 "[ . 1 . 2]" 1
1031 1 62 LEU H 1 62 LEU HG . . 4.670 4.434 4.271 4.527 . 0 0 "[ . 1 . 2]" 1
1032 1 62 LEU H 1 63 ASP H . . 4.760 4.464 4.257 4.610 . 0 0 "[ . 1 . 2]" 1
1033 1 62 LEU H 1 67 HIS HE1 . . 4.010 3.068 2.303 3.847 . 0 0 "[ . 1 . 2]" 1
1034 1 62 LEU HA 1 62 LEU MD1 . . 4.080 2.495 2.096 3.648 . 0 0 "[ . 1 . 2]" 1
1035 1 62 LEU QB 1 67 HIS HE1 . . 3.600 2.627 2.162 3.023 . 0 0 "[ . 1 . 2]" 1
1036 1 62 LEU HB2 1 62 LEU MD2 . . 3.320 2.599 2.414 3.137 . 0 0 "[ . 1 . 2]" 1
1037 1 62 LEU HB2 1 67 HIS HE1 . . 4.340 2.666 2.187 3.130 . 0 0 "[ . 1 . 2]" 1
1038 1 62 LEU HB3 1 62 LEU MD2 . . 3.320 2.140 1.969 2.278 . 0 0 "[ . 1 . 2]" 1
1039 1 62 LEU HB3 1 67 HIS HE1 . . 4.340 4.062 3.392 4.328 . 0 0 "[ . 1 . 2]" 1
1040 1 62 LEU MD1 1 63 ASP H . . 3.910 3.205 2.495 3.902 . 0 0 "[ . 1 . 2]" 1
1041 1 62 LEU MD1 1 65 ASP H . . 4.450 3.242 2.237 3.801 . 0 0 "[ . 1 . 2]" 1
1042 1 62 LEU MD1 1 65 ASP HA . . 4.310 2.212 1.968 3.418 . 0 0 "[ . 1 . 2]" 1
1043 1 62 LEU MD1 1 66 LYS H . . 4.200 2.529 1.901 3.499 . 0 0 "[ . 1 . 2]" 1
1044 1 62 LEU MD1 1 66 LYS HA . . 5.310 3.708 2.878 4.960 . 0 0 "[ . 1 . 2]" 1
1045 1 62 LEU MD1 1 67 HIS HD2 . . 4.680 3.141 2.577 3.963 . 0 0 "[ . 1 . 2]" 1
1046 1 62 LEU MD1 1 67 HIS HE1 . . 4.540 3.354 2.762 4.361 . 0 0 "[ . 1 . 2]" 1
1047 1 62 LEU HG 1 63 ASP H . . 4.600 3.100 2.237 3.707 . 0 0 "[ . 1 . 2]" 1
1048 1 62 LEU HG 1 65 ASP H . . 4.540 3.069 2.180 4.151 . 0 0 "[ . 1 . 2]" 1
1049 1 63 ASP H 1 66 LYS H . . 4.140 3.226 2.686 3.686 . 0 0 "[ . 1 . 2]" 1
1050 1 64 SER HA 1 66 LYS H . . 4.830 4.463 4.007 4.744 . 0 0 "[ . 1 . 2]" 1
1051 1 64 SER QB 1 65 ASP H . . 4.060 3.893 3.736 4.062 0.002 7 0 "[ . 1 . 2]" 1
1052 1 64 SER HB2 1 65 ASP H . . 4.620 4.410 4.084 4.651 0.031 5 0 "[ . 1 . 2]" 1
1053 1 64 SER HB3 1 65 ASP H . . 4.620 4.356 3.968 4.502 . 0 0 "[ . 1 . 2]" 1
1054 1 65 ASP H 1 66 LYS H . . 3.670 2.828 2.529 2.984 . 0 0 "[ . 1 . 2]" 1
1055 1 66 LYS H 1 66 LYS QB . . 3.780 2.820 2.608 3.289 . 0 0 "[ . 1 . 2]" 1
1056 1 66 LYS H 1 66 LYS QG . . 4.090 3.480 2.491 4.142 0.052 7 0 "[ . 1 . 2]" 1
1057 1 66 LYS HA 1 66 LYS QG . . 3.980 2.398 2.152 3.362 . 0 0 "[ . 1 . 2]" 1
1058 1 66 LYS HA 1 67 HIS H . . 3.290 2.387 2.156 2.633 . 0 0 "[ . 1 . 2]" 1
1059 1 66 LYS QB 1 66 LYS QE . . 3.690 2.735 2.105 3.664 . 0 0 "[ . 1 . 2]" 1
1060 1 66 LYS QB 1 67 HIS H . . 3.770 2.545 1.962 3.544 . 0 0 "[ . 1 . 2]" 1
1061 1 66 LYS QE 1 66 LYS QG . . 3.310 2.237 2.087 2.525 . 0 0 "[ . 1 . 2]" 1
1062 1 66 LYS QG 1 67 HIS H . . 4.740 3.594 2.295 4.208 . 0 0 "[ . 1 . 2]" 1
1063 1 67 HIS QB 1 68 THR H . . 3.970 3.014 2.519 3.433 . 0 0 "[ . 1 . 2]" 1
1064 1 67 HIS QB 1 69 ILE MD . . 3.860 2.612 2.412 2.823 . 0 0 "[ . 1 . 2]" 1
1065 1 67 HIS HB2 1 68 THR H . . 4.590 4.157 3.775 4.414 . 0 0 "[ . 1 . 2]" 1
1066 1 67 HIS HB2 1 69 ILE MD . . 4.390 3.387 2.934 3.684 . 0 0 "[ . 1 . 2]" 1
1067 1 67 HIS HB3 1 68 THR H . . 4.590 3.098 2.555 3.580 . 0 0 "[ . 1 . 2]" 1
1068 1 67 HIS HB3 1 69 ILE MD . . 4.390 2.731 2.482 3.052 . 0 0 "[ . 1 . 2]" 1
1069 1 68 THR H 1 68 THR HB . . 3.470 2.643 2.523 2.747 . 0 0 "[ . 1 . 2]" 1
1070 1 68 THR H 1 68 THR MG . . 4.140 3.850 3.805 3.905 . 0 0 "[ . 1 . 2]" 1
1071 1 68 THR H 1 69 ILE H . . 5.110 4.418 4.173 4.542 . 0 0 "[ . 1 . 2]" 1
1072 1 68 THR HA 1 68 THR MG . . 3.300 2.268 2.191 2.394 . 0 0 "[ . 1 . 2]" 1
1073 1 68 THR HA 1 69 ILE H . . 3.350 2.167 2.142 2.216 . 0 0 "[ . 1 . 2]" 1
1074 1 68 THR HB 1 69 ILE H . . 4.660 4.101 3.878 4.336 . 0 0 "[ . 1 . 2]" 1
1075 1 68 THR MG 1 69 ILE H . . 3.400 2.375 2.019 2.901 . 0 0 "[ . 1 . 2]" 1
1076 1 68 THR MG 1 69 ILE HB . . 5.470 4.631 4.442 4.860 . 0 0 "[ . 1 . 2]" 1
1077 1 68 THR MG 1 70 ARG QD . . 4.820 4.409 3.786 4.833 0.013 6 0 "[ . 1 . 2]" 1
1078 1 69 ILE H 1 69 ILE HB . . 3.700 2.873 2.790 2.939 . 0 0 "[ . 1 . 2]" 1
1079 1 69 ILE H 1 69 ILE MD . . 4.030 3.015 2.534 3.350 . 0 0 "[ . 1 . 2]" 1
1080 1 69 ILE H 1 69 ILE HG12 . . 4.110 2.221 1.943 2.472 . 0 0 "[ . 1 . 2]" 1
1081 1 69 ILE H 1 69 ILE HG13 . . 4.140 3.773 3.513 3.979 . 0 0 "[ . 1 . 2]" 1
1082 1 69 ILE HA 1 69 ILE MD . . 3.950 2.183 1.978 2.470 . 0 0 "[ . 1 . 2]" 1
1083 1 69 ILE HA 1 69 ILE MG . . 3.610 2.167 2.039 2.267 . 0 0 "[ . 1 . 2]" 1
1084 1 69 ILE HA 1 70 ARG H . . 3.220 2.243 2.197 2.286 . 0 0 "[ . 1 . 2]" 1
1085 1 69 ILE HB 1 70 ARG H . . 4.000 3.621 3.497 3.777 . 0 0 "[ . 1 . 2]" 1
1086 1 69 ILE HB 1 71 PHE QE . . 4.230 3.218 2.965 3.433 . 0 0 "[ . 1 . 2]" 1
1087 1 69 ILE MD 1 71 PHE QD . . 5.500 5.076 4.891 5.312 . 0 0 "[ . 1 . 2]" 1
1088 1 69 ILE HG12 1 69 ILE MG . . 3.500 3.191 3.171 3.201 . 0 0 "[ . 1 . 2]" 1
1089 1 69 ILE HG13 1 69 ILE MG . . 3.350 2.323 2.163 2.426 . 0 0 "[ . 1 . 2]" 1
1090 1 69 ILE HG13 1 71 PHE QE . . 4.350 4.120 3.946 4.326 . 0 0 "[ . 1 . 2]" 1
1091 1 69 ILE MG 1 70 ARG H . . 3.490 2.188 1.884 2.359 . 0 0 "[ . 1 . 2]" 1
1092 1 69 ILE MG 1 70 ARG HA . . 4.690 3.873 3.728 4.051 . 0 0 "[ . 1 . 2]" 1
1093 1 69 ILE MG 1 71 PHE QD . . 3.970 2.088 1.971 2.336 . 0 0 "[ . 1 . 2]" 1
1094 1 69 ILE MG 1 71 PHE QE . . 3.510 2.282 1.979 2.472 . 0 0 "[ . 1 . 2]" 1
1095 1 69 ILE MG 1 71 PHE HZ . . 4.500 4.379 4.133 4.496 . 0 0 "[ . 1 . 2]" 1
1096 1 70 ARG H 1 70 ARG HB2 . . 4.090 3.076 2.926 3.171 . 0 0 "[ . 1 . 2]" 1
1097 1 70 ARG H 1 70 ARG HB3 . . 3.890 3.038 2.970 3.094 . 0 0 "[ . 1 . 2]" 1
1098 1 70 ARG H 1 70 ARG QG . . 4.710 4.203 4.175 4.216 . 0 0 "[ . 1 . 2]" 1
1099 1 70 ARG H 1 71 PHE H . . 4.330 4.129 4.086 4.189 . 0 0 "[ . 1 . 2]" 1
1100 1 70 ARG HA 1 70 ARG QD . . 4.910 3.975 3.711 4.125 . 0 0 "[ . 1 . 2]" 1
1101 1 70 ARG HA 1 71 PHE H . . 2.930 2.142 2.141 2.149 . 0 0 "[ . 1 . 2]" 1
1102 1 70 ARG HB2 1 70 ARG QD . . 3.560 2.424 2.130 2.654 . 0 0 "[ . 1 . 2]" 1
1103 1 70 ARG HB2 1 71 PHE H . . 4.600 4.422 4.389 4.455 . 0 0 "[ . 1 . 2]" 1
1104 1 70 ARG HB3 1 70 ARG QD . . 3.530 2.730 2.298 3.072 . 0 0 "[ . 1 . 2]" 1
1105 1 70 ARG HB3 1 71 PHE H . . 4.270 4.065 3.962 4.123 . 0 0 "[ . 1 . 2]" 1
1106 1 70 ARG QD 1 71 PHE H . . 5.090 4.933 4.606 5.040 . 0 0 "[ . 1 . 2]" 1
1107 1 70 ARG HG2 1 71 PHE H . . 3.870 3.275 2.833 3.580 . 0 0 "[ . 1 . 2]" 1
1108 1 70 ARG HG3 1 71 PHE H . . 3.870 3.458 3.169 3.873 0.003 18 0 "[ . 1 . 2]" 1
1109 1 71 PHE H 1 71 PHE QD . . 3.690 3.370 3.242 3.406 . 0 0 "[ . 1 . 2]" 1
1110 1 71 PHE H 1 71 PHE QE . . 4.890 4.491 4.411 4.529 . 0 0 "[ . 1 . 2]" 1
1111 1 71 PHE HA 1 71 PHE QD . . 4.350 3.704 3.682 3.719 . 0 0 "[ . 1 . 2]" 1
1112 1 71 PHE HA 1 72 ILE H . . 3.080 2.264 2.216 2.370 . 0 0 "[ . 1 . 2]" 1
1113 1 71 PHE HA 1 72 ILE HB . . 5.010 4.470 4.382 4.558 . 0 0 "[ . 1 . 2]" 1
1114 1 71 PHE QB 1 72 ILE H . . 3.310 2.747 2.471 2.887 . 0 0 "[ . 1 . 2]" 1
1115 1 71 PHE HB2 1 72 ILE H . . 3.930 2.810 2.510 2.971 . 0 0 "[ . 1 . 2]" 1
1116 1 71 PHE HB3 1 72 ILE H . . 3.930 3.883 3.688 3.935 0.005 4 0 "[ . 1 . 2]" 1
1117 1 71 PHE QD 1 81 ILE MD . . 4.030 3.908 3.772 4.030 . 0 0 "[ . 1 . 2]" 1
1118 1 71 PHE QD 1 97 ILE MD . . 4.460 4.042 3.913 4.198 . 0 0 "[ . 1 . 2]" 1
1119 1 71 PHE QE 1 81 ILE HB . . 5.500 5.465 5.269 5.503 0.003 14 0 "[ . 1 . 2]" 1
1120 1 71 PHE QE 1 81 ILE MD . . 3.590 2.823 2.708 3.014 . 0 0 "[ . 1 . 2]" 1
1121 1 71 PHE QE 1 81 ILE QG . . 5.180 4.104 3.930 4.198 . 0 0 "[ . 1 . 2]" 1
1122 1 71 PHE QE 1 81 ILE MG . . 3.940 2.871 2.668 2.986 . 0 0 "[ . 1 . 2]" 1
1123 1 71 PHE QE 1 97 ILE HB . . 5.410 5.196 4.925 5.419 0.009 18 0 "[ . 1 . 2]" 1
1124 1 71 PHE QE 1 97 ILE MD . . 3.870 2.412 2.232 2.679 . 0 0 "[ . 1 . 2]" 1
1125 1 71 PHE HZ 1 81 ILE HB . . 5.500 5.381 5.192 5.466 . 0 0 "[ . 1 . 2]" 1
1126 1 71 PHE HZ 1 81 ILE MD . . 3.780 2.369 1.979 2.834 . 0 0 "[ . 1 . 2]" 1
1127 1 71 PHE HZ 1 81 ILE QG . . 4.980 3.387 3.135 3.509 . 0 0 "[ . 1 . 2]" 1
1128 1 71 PHE HZ 1 81 ILE MG . . 4.030 3.253 2.902 3.465 . 0 0 "[ . 1 . 2]" 1
1129 1 71 PHE HZ 1 97 ILE MD . . 4.260 2.763 2.510 3.051 . 0 0 "[ . 1 . 2]" 1
1130 1 71 PHE HZ 1 97 ILE MG . . 4.550 3.836 3.673 4.086 . 0 0 "[ . 1 . 2]" 1
1131 1 72 ILE H 1 72 ILE HB . . 3.460 2.558 2.477 2.671 . 0 0 "[ . 1 . 2]" 1
1132 1 72 ILE H 1 72 ILE MD . . 4.130 3.873 3.739 4.021 . 0 0 "[ . 1 . 2]" 1
1133 1 72 ILE H 1 72 ILE HG12 . . 4.380 4.236 4.097 4.369 . 0 0 "[ . 1 . 2]" 1
1134 1 72 ILE H 1 72 ILE HG13 . . 3.750 3.015 2.830 3.211 . 0 0 "[ . 1 . 2]" 1
1135 1 72 ILE H 1 72 ILE MG . . 4.130 3.786 3.718 3.845 . 0 0 "[ . 1 . 2]" 1
1136 1 72 ILE H 1 73 PRO HD2 . . 4.960 4.798 4.772 4.821 . 0 0 "[ . 1 . 2]" 1
1137 1 72 ILE H 1 73 PRO HD3 . . 5.420 4.646 4.564 4.731 . 0 0 "[ . 1 . 2]" 1
1138 1 72 ILE HA 1 72 ILE MD . . 4.000 3.836 3.801 3.870 . 0 0 "[ . 1 . 2]" 1
1139 1 72 ILE HA 1 72 ILE HG12 . . 4.180 2.621 2.538 2.712 . 0 0 "[ . 1 . 2]" 1
1140 1 72 ILE HA 1 72 ILE HG13 . . 4.020 2.726 2.596 2.840 . 0 0 "[ . 1 . 2]" 1
1141 1 72 ILE HA 1 72 ILE MG . . 3.400 2.433 2.330 2.503 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ILE HA 1 73 PRO HD2 . . 3.480 2.045 2.006 2.102 . 0 0 "[ . 1 . 2]" 1
1143 1 72 ILE HA 1 73 PRO HD3 . . 3.390 2.280 2.260 2.299 . 0 0 "[ . 1 . 2]" 1
1144 1 72 ILE HA 1 73 PRO QG . . 4.580 3.807 3.790 3.834 . 0 0 "[ . 1 . 2]" 1
1145 1 72 ILE HB 1 72 ILE MD . . 3.580 2.333 2.200 2.397 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ILE HB 1 74 HIS HE1 . . 4.350 3.846 3.384 4.309 . 0 0 "[ . 1 . 2]" 1
1147 1 72 ILE MD 1 72 ILE MG . . 2.950 2.135 1.967 2.362 . 0 0 "[ . 1 . 2]" 1
1148 1 72 ILE MD 1 73 PRO HD2 . . 4.830 4.632 4.439 4.796 . 0 0 "[ . 1 . 2]" 1
1149 1 72 ILE HG12 1 72 ILE MG . . 3.660 2.243 2.095 2.334 . 0 0 "[ . 1 . 2]" 1
1150 1 72 ILE HG13 1 72 ILE MG . . 3.620 3.175 3.154 3.191 . 0 0 "[ . 1 . 2]" 1
1151 1 72 ILE HG13 1 73 PRO HD3 . . 5.360 4.950 4.766 5.092 . 0 0 "[ . 1 . 2]" 1
1152 1 72 ILE MG 1 73 PRO HD2 . . 3.780 2.000 1.945 2.187 . 0 0 "[ . 1 . 2]" 1
1153 1 72 ILE MG 1 73 PRO HD3 . . 4.210 3.388 3.281 3.566 . 0 0 "[ . 1 . 2]" 1
1154 1 72 ILE MG 1 74 HIS HA . . 4.760 3.501 3.145 4.086 . 0 0 "[ . 1 . 2]" 1
1155 1 72 ILE MG 1 74 HIS HE1 . . 4.480 4.105 3.659 4.468 . 0 0 "[ . 1 . 2]" 1
1156 1 73 PRO HA 1 74 HIS H . . 3.330 2.294 2.160 2.396 . 0 0 "[ . 1 . 2]" 1
1157 1 73 PRO QB 1 74 HIS H . . 4.290 3.632 2.550 3.894 . 0 0 "[ . 1 . 2]" 1
1158 1 73 PRO QB 1 75 GLU H . . 4.220 3.600 2.995 4.114 . 0 0 "[ . 1 . 2]" 1
1159 1 73 PRO QB 1 79 HIS HE1 . . 4.700 3.430 3.020 4.046 . 0 0 "[ . 1 . 2]" 1
1160 1 73 PRO QB 1 99 VAL MG1 . . 3.120 2.161 1.929 2.644 . 0 0 "[ . 1 . 2]" 1
1161 1 73 PRO QB 1 99 VAL MG2 . . 3.730 2.267 1.954 2.917 . 0 0 "[ . 1 . 2]" 1
1162 1 73 PRO HD2 1 99 VAL MG1 . . 4.920 4.194 3.998 4.424 . 0 0 "[ . 1 . 2]" 1
1163 1 73 PRO HD3 1 99 VAL MG1 . . 4.860 4.110 3.891 4.302 . 0 0 "[ . 1 . 2]" 1
1164 1 73 PRO QG 1 76 ASN QD . . 4.720 4.689 4.484 4.727 0.007 13 0 "[ . 1 . 2]" 1
1165 1 73 PRO QG 1 99 VAL MG2 . . 3.320 2.379 1.990 2.780 . 0 0 "[ . 1 . 2]" 1
1166 1 73 PRO HG2 1 99 VAL MG1 . . 3.640 2.502 2.233 2.749 . 0 0 "[ . 1 . 2]" 1
1167 1 73 PRO HG2 1 99 VAL MG2 . . 4.060 3.670 3.350 3.993 . 0 0 "[ . 1 . 2]" 1
1168 1 73 PRO HG3 1 99 VAL MG1 . . 3.640 2.127 1.919 2.331 . 0 0 "[ . 1 . 2]" 1
1169 1 73 PRO HG3 1 99 VAL MG2 . . 4.060 2.411 2.003 2.837 . 0 0 "[ . 1 . 2]" 1
1170 1 74 HIS H 1 75 GLU H . . 3.240 2.743 2.257 3.050 . 0 0 "[ . 1 . 2]" 1
1171 1 74 HIS HA 1 74 HIS HD2 . . 4.570 4.254 3.799 4.568 . 0 0 "[ . 1 . 2]" 1
1172 1 74 HIS QB 1 75 GLU H . . 4.480 2.668 2.291 3.306 . 0 0 "[ . 1 . 2]" 1
1173 1 75 GLU H 1 75 GLU HG2 . . 4.750 3.681 1.940 4.746 . 0 0 "[ . 1 . 2]" 1
1174 1 75 GLU H 1 75 GLU QG . . 4.040 3.183 1.928 4.072 0.032 6 0 "[ . 1 . 2]" 1
1175 1 75 GLU H 1 75 GLU HG3 . . 4.750 3.780 2.495 4.738 . 0 0 "[ . 1 . 2]" 1
1176 1 75 GLU H 1 79 HIS HE1 . . 4.580 4.046 3.518 4.547 . 0 0 "[ . 1 . 2]" 1
1177 1 75 GLU HA 1 76 ASN H . . 3.100 2.380 2.142 2.652 . 0 0 "[ . 1 . 2]" 1
1178 1 75 GLU QB 1 76 ASN H . . 3.790 2.915 2.029 3.792 0.002 9 0 "[ . 1 . 2]" 1
1179 1 75 GLU QB 1 79 HIS HE1 . . 5.340 4.042 3.038 4.776 . 0 0 "[ . 1 . 2]" 1
1180 1 75 GLU HB2 1 76 ASN H . . 4.350 3.292 2.043 4.191 . 0 0 "[ . 1 . 2]" 1
1181 1 75 GLU HB3 1 76 ASN H . . 4.350 3.492 2.234 4.345 . 0 0 "[ . 1 . 2]" 1
1182 1 75 GLU QG 1 79 HIS HE1 . . 4.590 4.066 2.636 4.577 . 0 0 "[ . 1 . 2]" 1
1183 1 75 GLU HG2 1 76 ASN H . . 4.890 4.100 2.091 4.804 . 0 0 "[ . 1 . 2]" 1
1184 1 75 GLU HG3 1 76 ASN H . . 4.890 3.580 1.897 4.860 . 0 0 "[ . 1 . 2]" 1
1185 1 76 ASN H 1 76 ASN HB2 . . 3.670 2.367 2.184 2.772 . 0 0 "[ . 1 . 2]" 1
1186 1 76 ASN H 1 76 ASN HB3 . . 3.670 3.570 3.493 3.677 0.007 2 0 "[ . 1 . 2]" 1
1187 1 76 ASN H 1 76 ASN HD21 . . 4.870 4.005 2.897 4.454 . 0 0 "[ . 1 . 2]" 1
1188 1 76 ASN H 1 76 ASN HD22 . . 4.870 4.528 3.430 4.872 0.002 14 0 "[ . 1 . 2]" 1
1189 1 76 ASN HA 1 77 GLY H . . 3.120 2.471 2.321 2.620 . 0 0 "[ . 1 . 2]" 1
1190 1 76 ASN HA 1 79 HIS HE1 . . 4.740 3.525 3.212 3.807 . 0 0 "[ . 1 . 2]" 1
1191 1 76 ASN HA 1 99 VAL HB . . 3.800 3.129 2.721 3.567 . 0 0 "[ . 1 . 2]" 1
1192 1 76 ASN HA 1 99 VAL MG1 . . 3.310 2.643 2.037 3.128 . 0 0 "[ . 1 . 2]" 1
1193 1 76 ASN QB 1 77 GLY H . . 3.490 2.326 2.000 2.682 . 0 0 "[ . 1 . 2]" 1
1194 1 76 ASN HB2 1 77 GLY H . . 4.060 3.629 3.280 4.026 . 0 0 "[ . 1 . 2]" 1
1195 1 76 ASN HB3 1 77 GLY H . . 4.060 2.360 2.012 2.724 . 0 0 "[ . 1 . 2]" 1
1196 1 76 ASN QD 1 99 VAL MG1 . . 3.980 2.363 1.886 3.283 . 0 0 "[ . 1 . 2]" 1
1197 1 76 ASN HD21 1 99 VAL MG1 . . 4.810 2.439 1.912 3.360 . 0 0 "[ . 1 . 2]" 1
1198 1 76 ASN HD22 1 99 VAL MG1 . . 4.810 3.234 2.469 4.619 . 0 0 "[ . 1 . 2]" 1
1199 1 77 GLY H 1 78 VAL H . . 4.820 4.363 4.215 4.525 . 0 0 "[ . 1 . 2]" 1
1200 1 77 GLY H 1 99 VAL H . . 3.900 3.635 3.371 3.903 0.003 18 0 "[ . 1 . 2]" 1
1201 1 77 GLY H 1 99 VAL HB . . 3.640 2.934 2.602 3.186 . 0 0 "[ . 1 . 2]" 1
1202 1 77 GLY H 1 99 VAL MG1 . . 4.170 3.654 2.778 4.152 . 0 0 "[ . 1 . 2]" 1
1203 1 77 GLY H 1 99 VAL MG2 . . 4.560 4.421 4.162 4.562 0.002 18 0 "[ . 1 . 2]" 1
1204 1 77 GLY QA 1 78 VAL H . . 3.080 2.253 2.208 2.283 . 0 0 "[ . 1 . 2]" 1
1205 1 77 GLY QA 1 79 HIS HD1 . . 4.710 3.792 3.485 3.990 . 0 0 "[ . 1 . 2]" 1
1206 1 77 GLY QA 1 79 HIS HE1 . . 4.160 3.689 3.258 4.074 . 0 0 "[ . 1 . 2]" 1
1207 1 77 GLY HA2 1 78 VAL MG2 . . 4.580 3.512 3.334 3.693 . 0 0 "[ . 1 . 2]" 1
1208 1 77 GLY HA3 1 78 VAL MG2 . . 4.580 4.422 4.176 4.575 . 0 0 "[ . 1 . 2]" 1
1209 1 78 VAL H 1 78 VAL HB . . 3.470 2.517 2.376 2.615 . 0 0 "[ . 1 . 2]" 1
1210 1 78 VAL H 1 78 VAL MG1 . . 4.460 3.777 3.724 3.803 . 0 0 "[ . 1 . 2]" 1
1211 1 78 VAL H 1 78 VAL MG2 . . 3.610 2.287 1.979 2.629 . 0 0 "[ . 1 . 2]" 1
1212 1 78 VAL H 1 79 HIS H . . 4.680 4.360 4.153 4.581 . 0 0 "[ . 1 . 2]" 1
1213 1 78 VAL H 1 99 VAL H . . 5.150 4.697 4.230 5.154 0.004 20 0 "[ . 1 . 2]" 1
1214 1 78 VAL HA 1 78 VAL MG1 . . 3.490 2.350 2.211 2.460 . 0 0 "[ . 1 . 2]" 1
1215 1 78 VAL HA 1 78 VAL MG2 . . 3.450 2.392 2.269 2.515 . 0 0 "[ . 1 . 2]" 1
1216 1 78 VAL HA 1 79 HIS H . . 3.170 2.162 2.140 2.209 . 0 0 "[ . 1 . 2]" 1
1217 1 78 VAL HA 1 97 ILE H . . 4.540 4.266 3.899 4.477 . 0 0 "[ . 1 . 2]" 1
1218 1 78 VAL HA 1 98 ARG HA . . 3.860 2.783 2.626 2.889 . 0 0 "[ . 1 . 2]" 1
1219 1 78 VAL HA 1 98 ARG QG . . 4.960 4.327 4.099 4.617 . 0 0 "[ . 1 . 2]" 1
1220 1 78 VAL HA 1 99 VAL H . . 4.240 3.294 2.821 3.684 . 0 0 "[ . 1 . 2]" 1
1221 1 78 VAL MG1 1 79 HIS H . . 3.740 2.869 2.212 3.218 . 0 0 "[ . 1 . 2]" 1
1222 1 78 VAL MG1 1 96 LYS HA . . 4.200 2.699 2.492 2.856 . 0 0 "[ . 1 . 2]" 1
1223 1 78 VAL MG1 1 96 LYS HB2 . . 3.770 3.469 3.096 3.733 . 0 0 "[ . 1 . 2]" 1
1224 1 78 VAL MG1 1 96 LYS HB3 . . 3.660 2.052 1.867 2.297 . 0 0 "[ . 1 . 2]" 1
1225 1 78 VAL MG1 1 96 LYS QD . . 3.280 2.059 1.863 2.623 . 0 0 "[ . 1 . 2]" 1
1226 1 78 VAL MG1 1 96 LYS QE . . 4.200 3.373 1.924 3.938 . 0 0 "[ . 1 . 2]" 1
1227 1 78 VAL MG1 1 96 LYS HG2 . . 4.190 4.059 3.888 4.183 . 0 0 "[ . 1 . 2]" 1
1228 1 78 VAL MG1 1 96 LYS HG3 . . 3.920 3.751 3.427 3.895 . 0 0 "[ . 1 . 2]" 1
1229 1 78 VAL MG1 1 97 ILE H . . 4.000 2.639 2.370 2.885 . 0 0 "[ . 1 . 2]" 1
1230 1 78 VAL MG1 1 97 ILE HA . . 4.510 3.913 3.706 4.292 . 0 0 "[ . 1 . 2]" 1
1231 1 78 VAL MG1 1 98 ARG HA . . 4.560 3.439 3.211 3.932 . 0 0 "[ . 1 . 2]" 1
1232 1 78 VAL MG2 1 79 HIS H . . 4.370 4.138 3.950 4.302 . 0 0 "[ . 1 . 2]" 1
1233 1 78 VAL MG2 1 98 ARG HA . . 4.120 2.351 2.101 2.717 . 0 0 "[ . 1 . 2]" 1
1234 1 78 VAL MG2 1 98 ARG HB2 . . 3.530 3.234 2.838 3.514 . 0 0 "[ . 1 . 2]" 1
1235 1 78 VAL MG2 1 98 ARG HB3 . . 4.580 4.396 4.175 4.569 . 0 0 "[ . 1 . 2]" 1
1236 1 78 VAL MG2 1 98 ARG HG2 . . 4.200 3.718 2.847 4.202 0.002 20 0 "[ . 1 . 2]" 1
1237 1 78 VAL MG2 1 98 ARG QG . . 3.450 2.690 2.466 3.073 . 0 0 "[ . 1 . 2]" 1
1238 1 78 VAL MG2 1 98 ARG HG3 . . 4.200 2.929 2.491 3.965 . 0 0 "[ . 1 . 2]" 1
1239 1 79 HIS H 1 79 HIS HB2 . . 3.910 2.433 2.350 2.545 . 0 0 "[ . 1 . 2]" 1
1240 1 79 HIS H 1 79 HIS HB3 . . 4.170 3.621 3.576 3.683 . 0 0 "[ . 1 . 2]" 1
1241 1 79 HIS H 1 79 HIS HD1 . . 4.520 2.231 1.805 2.654 . 0 0 "[ . 1 . 2]" 1
1242 1 79 HIS H 1 97 ILE H . . 3.940 3.612 3.201 3.942 0.002 13 0 "[ . 1 . 2]" 1
1243 1 79 HIS H 1 97 ILE QG . . 4.610 2.689 2.392 2.903 . 0 0 "[ . 1 . 2]" 1
1244 1 79 HIS H 1 98 ARG HA . . 4.450 4.356 4.139 4.452 0.002 14 0 "[ . 1 . 2]" 1
1245 1 79 HIS HA 1 80 SER H . . 3.120 2.364 2.282 2.449 . 0 0 "[ . 1 . 2]" 1
1246 1 79 HIS HA 1 80 SER HA . . 4.980 4.385 4.363 4.411 . 0 0 "[ . 1 . 2]" 1
1247 1 79 HIS HB2 1 80 SER H . . 4.130 3.737 3.540 3.934 . 0 0 "[ . 1 . 2]" 1
1248 1 79 HIS HB2 1 80 SER HA . . 5.500 4.899 4.742 5.032 . 0 0 "[ . 1 . 2]" 1
1249 1 79 HIS HB2 1 81 ILE H . . 5.380 5.248 5.104 5.381 0.001 8 0 "[ . 1 . 2]" 1
1250 1 79 HIS HB2 1 81 ILE MD . . 4.000 3.027 2.827 3.230 . 0 0 "[ . 1 . 2]" 1
1251 1 79 HIS HB2 1 97 ILE H . . 4.470 4.239 4.071 4.395 . 0 0 "[ . 1 . 2]" 1
1252 1 79 HIS HB2 1 97 ILE MD . . 4.020 2.630 2.265 3.141 . 0 0 "[ . 1 . 2]" 1
1253 1 79 HIS HB2 1 97 ILE HG12 . . 4.280 3.164 2.834 3.506 . 0 0 "[ . 1 . 2]" 1
1254 1 79 HIS HB2 1 97 ILE QG . . 3.740 2.630 2.433 2.786 . 0 0 "[ . 1 . 2]" 1
1255 1 79 HIS HB2 1 97 ILE HG13 . . 4.280 2.825 2.618 3.046 . 0 0 "[ . 1 . 2]" 1
1256 1 79 HIS HB2 1 99 VAL MG2 . . 5.020 3.668 3.386 3.952 . 0 0 "[ . 1 . 2]" 1
1257 1 79 HIS HB3 1 80 SER H . . 3.860 2.534 2.326 2.747 . 0 0 "[ . 1 . 2]" 1
1258 1 79 HIS HB3 1 97 ILE MD . . 5.160 3.807 3.458 4.260 . 0 0 "[ . 1 . 2]" 1
1259 1 79 HIS HB3 1 97 ILE HG12 . . 4.940 4.468 4.154 4.897 . 0 0 "[ . 1 . 2]" 1
1260 1 79 HIS HB3 1 97 ILE QG . . 4.260 3.995 3.771 4.217 . 0 0 "[ . 1 . 2]" 1
1261 1 79 HIS HB3 1 97 ILE HG13 . . 4.940 4.512 4.228 4.792 . 0 0 "[ . 1 . 2]" 1
1262 1 79 HIS HD1 1 99 VAL MG2 . . 4.460 3.401 3.069 3.738 . 0 0 "[ . 1 . 2]" 1
1263 1 79 HIS HE1 1 99 VAL HB . . 4.040 3.732 3.346 4.043 0.003 20 0 "[ . 1 . 2]" 1
1264 1 79 HIS HE1 1 99 VAL MG1 . . 4.870 4.031 3.454 4.483 . 0 0 "[ . 1 . 2]" 1
1265 1 79 HIS HE1 1 99 VAL MG2 . . 4.020 3.814 3.447 4.021 0.001 14 0 "[ . 1 . 2]" 1
1266 1 80 SER H 1 80 SER HB2 . . 3.860 2.487 2.290 2.890 . 0 0 "[ . 1 . 2]" 1
1267 1 80 SER H 1 80 SER HB3 . . 3.860 3.303 2.579 3.600 . 0 0 "[ . 1 . 2]" 1
1268 1 80 SER H 1 81 ILE H . . 4.770 4.245 4.167 4.319 . 0 0 "[ . 1 . 2]" 1
1269 1 80 SER HA 1 81 ILE H . . 2.930 2.147 2.138 2.166 . 0 0 "[ . 1 . 2]" 1
1270 1 80 SER HA 1 81 ILE HA . . 5.360 4.407 4.395 4.425 . 0 0 "[ . 1 . 2]" 1
1271 1 80 SER HA 1 81 ILE HB . . 4.890 4.885 4.862 4.894 0.004 9 0 "[ . 1 . 2]" 1
1272 1 80 SER HA 1 81 ILE MD . . 4.680 4.164 3.874 4.414 . 0 0 "[ . 1 . 2]" 1
1273 1 80 SER HA 1 81 ILE QG . . 5.340 3.482 3.395 3.590 . 0 0 "[ . 1 . 2]" 1
1274 1 80 SER HA 1 95 PHE H . . 4.910 4.690 4.510 4.871 . 0 0 "[ . 1 . 2]" 1
1275 1 80 SER HA 1 96 LYS HA . . 3.600 3.352 3.003 3.535 . 0 0 "[ . 1 . 2]" 1
1276 1 80 SER HA 1 96 LYS QD . . 4.310 3.141 2.713 3.479 . 0 0 "[ . 1 . 2]" 1
1277 1 80 SER HA 1 96 LYS QE . . 5.500 4.470 3.205 5.472 . 0 0 "[ . 1 . 2]" 1
1278 1 80 SER HA 1 96 LYS HG2 . . 4.870 4.617 4.334 4.822 . 0 0 "[ . 1 . 2]" 1
1279 1 80 SER HA 1 97 ILE H . . 4.430 4.233 3.896 4.386 . 0 0 "[ . 1 . 2]" 1
1280 1 80 SER QB 1 81 ILE H . . 4.030 3.643 3.456 3.928 . 0 0 "[ . 1 . 2]" 1
1281 1 80 SER QB 1 94 PRO QB . . 3.450 2.716 2.256 3.405 . 0 0 "[ . 1 . 2]" 1
1282 1 80 SER QB 1 94 PRO QG . . 4.730 3.110 2.743 3.618 . 0 0 "[ . 1 . 2]" 1
1283 1 80 SER HB2 1 81 ILE H . . 4.650 4.509 4.414 4.573 . 0 0 "[ . 1 . 2]" 1
1284 1 80 SER HB2 1 94 PRO HB2 . . 5.050 4.150 3.760 4.421 . 0 0 "[ . 1 . 2]" 1
1285 1 80 SER HB2 1 94 PRO HB3 . . 5.050 4.748 4.509 4.952 . 0 0 "[ . 1 . 2]" 1
1286 1 80 SER HB3 1 81 ILE H . . 4.650 3.869 3.596 4.375 . 0 0 "[ . 1 . 2]" 1
1287 1 80 SER HB3 1 94 PRO HB2 . . 5.050 3.068 2.396 4.116 . 0 0 "[ . 1 . 2]" 1
1288 1 80 SER HB3 1 94 PRO HB3 . . 5.050 3.358 2.755 4.428 . 0 0 "[ . 1 . 2]" 1
1289 1 81 ILE H 1 81 ILE HB . . 3.570 2.744 2.723 2.755 . 0 0 "[ . 1 . 2]" 1
1290 1 81 ILE H 1 81 ILE MD . . 4.170 3.180 2.943 3.352 . 0 0 "[ . 1 . 2]" 1
1291 1 81 ILE H 1 81 ILE HG12 . . 3.850 1.965 1.915 2.025 . 0 0 "[ . 1 . 2]" 1
1292 1 81 ILE H 1 81 ILE HG13 . . 3.850 3.493 3.396 3.588 . 0 0 "[ . 1 . 2]" 1
1293 1 81 ILE H 1 81 ILE MG . . 4.400 3.805 3.790 3.820 . 0 0 "[ . 1 . 2]" 1
1294 1 81 ILE H 1 82 ASP H . . 4.800 4.302 4.230 4.379 . 0 0 "[ . 1 . 2]" 1
1295 1 81 ILE H 1 94 PRO HB2 . . 4.890 2.754 2.638 3.020 . 0 0 "[ . 1 . 2]" 1
1296 1 81 ILE H 1 94 PRO QB . . 4.220 2.698 2.586 2.948 . 0 0 "[ . 1 . 2]" 1
1297 1 81 ILE H 1 94 PRO HB3 . . 4.890 3.864 3.711 4.120 . 0 0 "[ . 1 . 2]" 1
1298 1 81 ILE H 1 95 PHE H . . 3.760 3.088 2.882 3.252 . 0 0 "[ . 1 . 2]" 1
1299 1 81 ILE H 1 95 PHE HB2 . . 4.210 3.826 3.586 4.047 . 0 0 "[ . 1 . 2]" 1
1300 1 81 ILE H 1 95 PHE HB3 . . 5.500 4.867 4.615 5.061 . 0 0 "[ . 1 . 2]" 1
1301 1 81 ILE H 1 96 LYS HA . . 4.190 3.997 3.848 4.098 . 0 0 "[ . 1 . 2]" 1
1302 1 81 ILE HA 1 81 ILE MD . . 4.170 2.291 2.013 2.442 . 0 0 "[ . 1 . 2]" 1
1303 1 81 ILE HA 1 81 ILE MG . . 3.460 2.159 2.102 2.215 . 0 0 "[ . 1 . 2]" 1
1304 1 81 ILE HA 1 82 ASP H . . 3.150 2.157 2.144 2.176 . 0 0 "[ . 1 . 2]" 1
1305 1 81 ILE HB 1 81 ILE MD . . 3.490 3.215 3.202 3.230 . 0 0 "[ . 1 . 2]" 1
1306 1 81 ILE HB 1 83 VAL MG2 . . 4.180 3.236 3.003 3.415 . 0 0 "[ . 1 . 2]" 1
1307 1 81 ILE HB 1 95 PHE H . . 4.190 2.473 2.344 2.558 . 0 0 "[ . 1 . 2]" 1
1308 1 81 ILE HB 1 95 PHE HB2 . . 3.760 2.197 2.070 2.343 . 0 0 "[ . 1 . 2]" 1
1309 1 81 ILE HB 1 95 PHE HB3 . . 4.190 3.847 3.714 3.977 . 0 0 "[ . 1 . 2]" 1
1310 1 81 ILE HB 1 95 PHE QD . . 4.050 3.146 2.931 3.360 . 0 0 "[ . 1 . 2]" 1
1311 1 81 ILE MD 1 81 ILE MG . . 3.060 1.971 1.877 2.177 . 0 0 "[ . 1 . 2]" 1
1312 1 81 ILE MD 1 95 PHE HB2 . . 4.550 4.417 4.248 4.535 . 0 0 "[ . 1 . 2]" 1
1313 1 81 ILE MD 1 95 PHE QD . . 5.500 5.327 5.177 5.452 . 0 0 "[ . 1 . 2]" 1
1314 1 81 ILE MD 1 97 ILE H . . 4.740 4.294 4.040 4.604 . 0 0 "[ . 1 . 2]" 1
1315 1 81 ILE MD 1 97 ILE HB . . 4.720 4.683 4.541 4.722 0.002 18 0 "[ . 1 . 2]" 1
1316 1 81 ILE MD 1 97 ILE MD . . 3.310 1.888 1.766 2.152 . 0 0 "[ . 1 . 2]" 1
1317 1 81 ILE MD 1 97 ILE HG12 . . 4.020 2.715 2.474 3.004 . 0 0 "[ . 1 . 2]" 1
1318 1 81 ILE MD 1 97 ILE HG13 . . 4.020 3.654 3.425 3.820 . 0 0 "[ . 1 . 2]" 1
1319 1 81 ILE MD 1 97 ILE MG . . 3.340 3.281 3.164 3.336 . 0 0 "[ . 1 . 2]" 1
1320 1 81 ILE QG 1 81 ILE MG . . 3.260 2.327 2.224 2.407 . 0 0 "[ . 1 . 2]" 1
1321 1 81 ILE QG 1 95 PHE H . . 5.180 3.663 3.526 3.806 . 0 0 "[ . 1 . 2]" 1
1322 1 81 ILE QG 1 95 PHE HB2 . . 4.940 2.818 2.621 2.951 . 0 0 "[ . 1 . 2]" 1
1323 1 81 ILE QG 1 95 PHE HB3 . . 4.990 3.558 3.365 3.709 . 0 0 "[ . 1 . 2]" 1
1324 1 81 ILE QG 1 97 ILE MD . . 4.350 2.663 2.157 3.036 . 0 0 "[ . 1 . 2]" 1
1325 1 81 ILE MG 1 82 ASP H . . 3.720 3.086 2.841 3.256 . 0 0 "[ . 1 . 2]" 1
1326 1 81 ILE MG 1 83 VAL MG2 . . 2.890 2.270 2.124 2.462 . 0 0 "[ . 1 . 2]" 1
1327 1 81 ILE MG 1 95 PHE H . . 4.800 3.960 3.885 4.043 . 0 0 "[ . 1 . 2]" 1
1328 1 81 ILE MG 1 95 PHE HB2 . . 4.590 3.494 3.399 3.563 . 0 0 "[ . 1 . 2]" 1
1329 1 81 ILE MG 1 95 PHE HB3 . . 4.830 4.761 4.648 4.830 0.000 1 0 "[ . 1 . 2]" 1
1330 1 81 ILE MG 1 95 PHE QD . . 4.330 3.431 3.261 3.598 . 0 0 "[ . 1 . 2]" 1
1331 1 82 ASP H 1 82 ASP HB2 . . 4.040 2.540 2.208 3.136 . 0 0 "[ . 1 . 2]" 1
1332 1 82 ASP H 1 82 ASP QB . . 3.420 2.240 2.167 2.319 . 0 0 "[ . 1 . 2]" 1
1333 1 82 ASP H 1 82 ASP HB3 . . 4.040 3.018 2.217 3.599 . 0 0 "[ . 1 . 2]" 1
1334 1 82 ASP HA 1 83 VAL H . . 3.220 2.156 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
1335 1 82 ASP HA 1 89 HIS HE1 . . 4.130 4.124 4.066 4.132 0.002 2 0 "[ . 1 . 2]" 1
1336 1 82 ASP HA 1 94 PRO HA . . 3.870 3.072 2.844 3.308 . 0 0 "[ . 1 . 2]" 1
1337 1 82 ASP HA 1 94 PRO HB2 . . 4.620 4.331 4.106 4.479 . 0 0 "[ . 1 . 2]" 1
1338 1 82 ASP HA 1 94 PRO QB . . 4.030 2.873 2.636 3.037 . 0 0 "[ . 1 . 2]" 1
1339 1 82 ASP HA 1 94 PRO HB3 . . 4.620 2.917 2.668 3.089 . 0 0 "[ . 1 . 2]" 1
1340 1 82 ASP HA 1 95 PHE H . . 4.690 4.457 4.293 4.693 0.003 1 0 "[ . 1 . 2]" 1
1341 1 82 ASP QB 1 89 HIS HE1 . . 4.360 3.858 3.399 4.348 . 0 0 "[ . 1 . 2]" 1
1342 1 83 VAL H 1 83 VAL HB . . 3.820 2.605 2.500 2.714 . 0 0 "[ . 1 . 2]" 1
1343 1 83 VAL H 1 83 VAL MG1 . . 4.710 3.833 3.783 3.877 . 0 0 "[ . 1 . 2]" 1
1344 1 83 VAL H 1 83 VAL MG2 . . 4.070 2.723 2.390 2.992 . 0 0 "[ . 1 . 2]" 1
1345 1 83 VAL H 1 84 LYS H . . 4.780 4.236 4.040 4.433 . 0 0 "[ . 1 . 2]" 1
1346 1 83 VAL H 1 89 HIS HE1 . . 4.870 4.746 4.266 4.868 . 0 0 "[ . 1 . 2]" 1
1347 1 83 VAL H 1 90 ILE MD . . 5.220 4.312 4.146 4.516 . 0 0 "[ . 1 . 2]" 1
1348 1 83 VAL H 1 93 SER HB2 . . 4.390 2.986 2.804 3.340 . 0 0 "[ . 1 . 2]" 1
1349 1 83 VAL H 1 93 SER HB3 . . 4.220 3.658 3.517 3.843 . 0 0 "[ . 1 . 2]" 1
1350 1 83 VAL H 1 93 SER HG . . 3.560 2.961 2.680 3.100 . 0 0 "[ . 1 . 2]" 1
1351 1 83 VAL H 1 94 PRO HA . . 4.390 3.465 3.236 3.727 . 0 0 "[ . 1 . 2]" 1
1352 1 83 VAL HA 1 83 VAL MG1 . . 3.390 2.351 2.191 2.489 . 0 0 "[ . 1 . 2]" 1
1353 1 83 VAL HA 1 83 VAL MG2 . . 3.370 2.328 2.201 2.488 . 0 0 "[ . 1 . 2]" 1
1354 1 83 VAL HA 1 84 LYS H . . 2.870 2.153 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
1355 1 83 VAL HB 1 84 LYS H . . 4.540 4.323 4.010 4.454 . 0 0 "[ . 1 . 2]" 1
1356 1 83 VAL HB 1 90 ILE H . . 4.620 4.100 3.826 4.335 . 0 0 "[ . 1 . 2]" 1
1357 1 83 VAL HB 1 90 ILE MD . . 3.330 2.170 1.980 2.380 . 0 0 "[ . 1 . 2]" 1
1358 1 83 VAL HB 1 90 ILE HG12 . . 3.760 2.181 2.000 2.407 . 0 0 "[ . 1 . 2]" 1
1359 1 83 VAL HB 1 90 ILE HG13 . . 3.880 3.571 3.433 3.720 . 0 0 "[ . 1 . 2]" 1
1360 1 83 VAL HB 1 93 SER HB2 . . 4.280 2.709 2.285 2.961 . 0 0 "[ . 1 . 2]" 1
1361 1 83 VAL HB 1 93 SER HB3 . . 4.920 3.455 3.121 3.665 . 0 0 "[ . 1 . 2]" 1
1362 1 83 VAL HB 1 95 PHE QD . . 4.340 4.050 3.844 4.284 . 0 0 "[ . 1 . 2]" 1
1363 1 83 VAL HB 1 95 PHE QE . . 3.810 3.598 3.420 3.750 . 0 0 "[ . 1 . 2]" 1
1364 1 83 VAL MG1 1 84 LYS H . . 3.520 2.859 2.317 3.185 . 0 0 "[ . 1 . 2]" 1
1365 1 83 VAL MG1 1 85 PHE QB . . 4.850 3.844 3.666 4.028 . 0 0 "[ . 1 . 2]" 1
1366 1 83 VAL MG1 1 90 ILE H . . 4.510 3.980 3.384 4.330 . 0 0 "[ . 1 . 2]" 1
1367 1 83 VAL MG1 1 90 ILE HG12 . . 3.740 2.715 2.048 2.991 . 0 0 "[ . 1 . 2]" 1
1368 1 83 VAL MG1 1 90 ILE HG13 . . 4.380 4.095 3.526 4.335 . 0 0 "[ . 1 . 2]" 1
1369 1 83 VAL MG1 1 90 ILE MG . . 2.950 2.108 1.858 2.524 . 0 0 "[ . 1 . 2]" 1
1370 1 83 VAL MG1 1 95 PHE QE . . 4.290 3.459 3.191 3.674 . 0 0 "[ . 1 . 2]" 1
1371 1 83 VAL MG2 1 84 LYS H . . 4.300 4.121 3.890 4.196 . 0 0 "[ . 1 . 2]" 1
1372 1 83 VAL MG2 1 90 ILE MD . . 3.230 2.758 2.446 3.047 . 0 0 "[ . 1 . 2]" 1
1373 1 83 VAL MG2 1 93 SER HB2 . . 4.680 3.103 2.831 3.461 . 0 0 "[ . 1 . 2]" 1
1374 1 83 VAL MG2 1 94 PRO HA . . 4.920 4.138 3.764 4.367 . 0 0 "[ . 1 . 2]" 1
1375 1 83 VAL MG2 1 95 PHE H . . 4.180 3.725 3.482 3.942 . 0 0 "[ . 1 . 2]" 1
1376 1 83 VAL MG2 1 95 PHE QD . . 3.520 2.365 2.098 2.716 . 0 0 "[ . 1 . 2]" 1
1377 1 84 LYS H 1 84 LYS HB2 . . 3.650 2.436 2.333 2.696 . 0 0 "[ . 1 . 2]" 1
1378 1 84 LYS H 1 84 LYS HB3 . . 3.980 3.627 3.544 3.809 . 0 0 "[ . 1 . 2]" 1
1379 1 84 LYS H 1 84 LYS HG2 . . 4.550 4.114 3.932 4.324 . 0 0 "[ . 1 . 2]" 1
1380 1 84 LYS H 1 84 LYS HG3 . . 3.600 3.381 3.062 3.574 . 0 0 "[ . 1 . 2]" 1
1381 1 84 LYS H 1 85 PHE H . . 4.600 4.494 4.419 4.549 . 0 0 "[ . 1 . 2]" 1
1382 1 84 LYS HA 1 84 LYS HG2 . . 4.100 2.302 2.165 2.587 . 0 0 "[ . 1 . 2]" 1
1383 1 84 LYS HA 1 85 PHE H . . 3.010 2.284 2.209 2.379 . 0 0 "[ . 1 . 2]" 1
1384 1 84 LYS HA 1 88 ALA H . . 4.140 3.872 3.698 4.141 0.001 5 0 "[ . 1 . 2]" 1
1385 1 84 LYS HA 1 89 HIS HA . . 3.860 2.733 2.493 3.015 . 0 0 "[ . 1 . 2]" 1
1386 1 84 LYS HA 1 90 ILE H . . 3.980 3.352 3.024 3.496 . 0 0 "[ . 1 . 2]" 1
1387 1 84 LYS HA 1 90 ILE MG . . 4.090 3.282 2.976 3.468 . 0 0 "[ . 1 . 2]" 1
1388 1 84 LYS HB2 1 84 LYS HD2 . . 4.090 3.052 2.489 3.729 . 0 0 "[ . 1 . 2]" 1
1389 1 84 LYS HB2 1 84 LYS QD . . 3.310 2.671 2.384 3.052 . 0 0 "[ . 1 . 2]" 1
1390 1 84 LYS HB2 1 84 LYS HD3 . . 4.090 3.289 2.497 3.953 . 0 0 "[ . 1 . 2]" 1
1391 1 84 LYS HB2 1 85 PHE H . . 4.200 4.036 3.863 4.149 . 0 0 "[ . 1 . 2]" 1
1392 1 84 LYS HB2 1 87 GLY H . . 5.080 4.860 4.331 5.045 . 0 0 "[ . 1 . 2]" 1
1393 1 84 LYS HB2 1 88 ALA H . . 5.120 4.808 4.362 5.115 . 0 0 "[ . 1 . 2]" 1
1394 1 84 LYS HB3 1 84 LYS QD . . 3.340 2.293 2.081 2.586 . 0 0 "[ . 1 . 2]" 1
1395 1 84 LYS HB3 1 85 PHE H . . 3.940 2.790 2.520 3.001 . 0 0 "[ . 1 . 2]" 1
1396 1 84 LYS HB3 1 87 GLY H . . 4.180 3.389 3.108 3.713 . 0 0 "[ . 1 . 2]" 1
1397 1 84 LYS HB3 1 88 ALA H . . 3.880 3.076 2.627 3.386 . 0 0 "[ . 1 . 2]" 1
1398 1 84 LYS HB3 1 89 HIS HA . . 4.860 4.617 4.349 4.860 . 0 0 "[ . 1 . 2]" 1
1399 1 84 LYS QD 1 87 GLY QA . . 3.970 3.306 2.685 3.970 . 0 0 "[ . 1 . 2]" 1
1400 1 84 LYS QE 1 84 LYS HG2 . . 3.680 2.775 2.067 3.513 . 0 0 "[ . 1 . 2]" 1
1401 1 84 LYS QE 1 84 LYS HG3 . . 3.720 2.711 2.119 3.453 . 0 0 "[ . 1 . 2]" 1
1402 1 84 LYS QE 1 89 HIS HD2 . . 4.740 3.597 2.110 4.734 . 0 0 "[ . 1 . 2]" 1
1403 1 84 LYS HG2 1 85 PHE H . . 4.280 3.722 3.536 4.050 . 0 0 "[ . 1 . 2]" 1
1404 1 84 LYS HG2 1 89 HIS H . . 4.630 4.254 3.670 4.596 . 0 0 "[ . 1 . 2]" 1
1405 1 84 LYS HG2 1 89 HIS HA . . 3.970 2.790 2.501 3.028 . 0 0 "[ . 1 . 2]" 1
1406 1 84 LYS HG2 1 90 ILE H . . 4.710 4.478 4.146 4.675 . 0 0 "[ . 1 . 2]" 1
1407 1 84 LYS HG3 1 85 PHE H . . 4.920 4.840 4.639 4.921 0.001 16 0 "[ . 1 . 2]" 1
1408 1 84 LYS HG3 1 89 HIS HA . . 4.480 4.129 3.698 4.342 . 0 0 "[ . 1 . 2]" 1
1409 1 85 PHE H 1 85 PHE HB2 . . 3.930 3.076 2.979 3.250 . 0 0 "[ . 1 . 2]" 1
1410 1 85 PHE H 1 85 PHE QB . . 3.380 2.626 2.438 2.694 . 0 0 "[ . 1 . 2]" 1
1411 1 85 PHE H 1 85 PHE HB3 . . 3.930 2.858 2.520 2.990 . 0 0 "[ . 1 . 2]" 1
1412 1 85 PHE H 1 85 PHE QD . . 4.750 4.384 4.063 4.438 . 0 0 "[ . 1 . 2]" 1
1413 1 85 PHE H 1 88 ALA H . . 3.430 2.342 2.075 2.718 . 0 0 "[ . 1 . 2]" 1
1414 1 85 PHE H 1 88 ALA MB . . 4.350 3.370 3.216 3.512 . 0 0 "[ . 1 . 2]" 1
1415 1 85 PHE H 1 89 HIS HA . . 4.320 3.871 3.571 4.275 . 0 0 "[ . 1 . 2]" 1
1416 1 85 PHE H 1 90 ILE H . . 4.930 4.490 4.149 4.728 . 0 0 "[ . 1 . 2]" 1
1417 1 85 PHE H 1 90 ILE MG . . 3.880 3.644 3.256 3.857 . 0 0 "[ . 1 . 2]" 1
1418 1 85 PHE HA 1 85 PHE QD . . 3.880 2.301 2.031 2.958 . 0 0 "[ . 1 . 2]" 1
1419 1 85 PHE HA 1 86 ASN H . . 3.020 2.157 2.139 2.234 . 0 0 "[ . 1 . 2]" 1
1420 1 85 PHE HA 1 86 ASN HA . . 4.570 4.377 4.359 4.404 . 0 0 "[ . 1 . 2]" 1
1421 1 85 PHE HA 1 87 GLY H . . 4.340 4.017 3.595 4.288 . 0 0 "[ . 1 . 2]" 1
1422 1 85 PHE HA 1 90 ILE MG . . 5.430 4.636 4.378 4.802 . 0 0 "[ . 1 . 2]" 1
1423 1 85 PHE QB 1 86 ASN H . . 4.480 3.890 3.763 3.984 . 0 0 "[ . 1 . 2]" 1
1424 1 85 PHE HB2 1 90 ILE MG . . 3.420 2.827 2.543 2.971 . 0 0 "[ . 1 . 2]" 1
1425 1 85 PHE HB3 1 90 ILE MG . . 3.420 3.333 2.972 3.421 0.001 20 0 "[ . 1 . 2]" 1
1426 1 85 PHE QD 1 86 ASN H . . 4.450 3.616 3.166 4.106 . 0 0 "[ . 1 . 2]" 1
1427 1 85 PHE QD 1 90 ILE MG . . 4.350 4.197 3.816 4.325 . 0 0 "[ . 1 . 2]" 1
1428 1 86 ASN HA 1 86 ASN QD . . 4.530 3.380 2.370 3.984 . 0 0 "[ . 1 . 2]" 1
1429 1 86 ASN HA 1 87 GLY H . . 3.300 2.780 2.641 2.962 . 0 0 "[ . 1 . 2]" 1
1430 1 86 ASN QB 1 86 ASN QD . . 3.010 2.146 2.064 2.342 . 0 0 "[ . 1 . 2]" 1
1431 1 87 GLY H 1 88 ALA H . . 3.610 2.606 2.381 2.915 . 0 0 "[ . 1 . 2]" 1
1432 1 88 ALA H 1 88 ALA MB . . 3.060 2.715 2.559 2.845 . 0 0 "[ . 1 . 2]" 1
1433 1 88 ALA H 1 89 HIS H . . 4.520 4.133 3.857 4.413 . 0 0 "[ . 1 . 2]" 1
1434 1 88 ALA HA 1 89 HIS H . . 2.890 2.183 2.142 2.285 . 0 0 "[ . 1 . 2]" 1
1435 1 88 ALA HA 1 89 HIS HB2 . . 4.840 4.294 4.280 4.336 . 0 0 "[ . 1 . 2]" 1
1436 1 88 ALA HA 1 89 HIS HD2 . . 4.560 4.283 4.068 4.507 . 0 0 "[ . 1 . 2]" 1
1437 1 88 ALA MB 1 89 HIS H . . 3.420 3.080 2.635 3.394 . 0 0 "[ . 1 . 2]" 1
1438 1 88 ALA MB 1 89 HIS HA . . 4.660 4.372 4.209 4.523 . 0 0 "[ . 1 . 2]" 1
1439 1 89 HIS H 1 89 HIS HB2 . . 3.310 2.194 2.175 2.228 . 0 0 "[ . 1 . 2]" 1
1440 1 89 HIS H 1 89 HIS HB3 . . 3.610 3.490 3.484 3.500 . 0 0 "[ . 1 . 2]" 1
1441 1 89 HIS H 1 89 HIS HD2 . . 3.650 3.157 2.809 3.478 . 0 0 "[ . 1 . 2]" 1
1442 1 89 HIS HA 1 90 ILE H . . 3.100 2.158 2.142 2.212 . 0 0 "[ . 1 . 2]" 1
1443 1 89 HIS HA 1 90 ILE MG . . 4.080 3.616 3.501 3.717 . 0 0 "[ . 1 . 2]" 1
1444 1 89 HIS HA 1 93 SER HG . . 4.880 4.552 4.306 4.734 . 0 0 "[ . 1 . 2]" 1
1445 1 89 HIS HB2 1 90 ILE H . . 4.570 4.389 4.242 4.450 . 0 0 "[ . 1 . 2]" 1
1446 1 89 HIS HB3 1 90 ILE H . . 4.260 3.366 3.078 3.496 . 0 0 "[ . 1 . 2]" 1
1447 1 89 HIS HB3 1 93 SER HG . . 4.690 4.001 3.792 4.294 . 0 0 "[ . 1 . 2]" 1
1448 1 89 HIS HE1 1 93 SER HG . . 4.150 3.717 3.607 3.831 . 0 0 "[ . 1 . 2]" 1
1449 1 89 HIS HE1 1 94 PRO HD3 . . 4.420 4.326 4.185 4.414 . 0 0 "[ . 1 . 2]" 1
1450 1 89 HIS HE1 1 94 PRO QG . . 5.500 5.458 5.347 5.504 0.004 10 0 "[ . 1 . 2]" 1
1451 1 90 ILE H 1 90 ILE MD . . 4.350 3.903 3.885 3.919 . 0 0 "[ . 1 . 2]" 1
1452 1 90 ILE H 1 90 ILE HG12 . . 3.570 2.373 2.329 2.402 . 0 0 "[ . 1 . 2]" 1
1453 1 90 ILE H 1 90 ILE HG13 . . 3.580 2.992 2.880 3.052 . 0 0 "[ . 1 . 2]" 1
1454 1 90 ILE H 1 90 ILE MG . . 3.280 2.208 2.028 2.451 . 0 0 "[ . 1 . 2]" 1
1455 1 90 ILE H 1 93 SER H . . 4.830 4.735 4.545 4.817 . 0 0 "[ . 1 . 2]" 1
1456 1 90 ILE H 1 93 SER HB2 . . 4.780 4.595 4.478 4.721 . 0 0 "[ . 1 . 2]" 1
1457 1 90 ILE H 1 93 SER HB3 . . 3.620 3.357 3.191 3.459 . 0 0 "[ . 1 . 2]" 1
1458 1 90 ILE H 1 93 SER HG . . 4.760 4.201 3.916 4.515 . 0 0 "[ . 1 . 2]" 1
1459 1 90 ILE HA 1 90 ILE MD . . 4.110 4.092 4.086 4.108 . 0 0 "[ . 1 . 2]" 1
1460 1 90 ILE HA 1 90 ILE MG . . 3.310 2.365 2.315 2.465 . 0 0 "[ . 1 . 2]" 1
1461 1 90 ILE HA 1 91 PRO HD2 . . 3.610 2.359 2.356 2.364 . 0 0 "[ . 1 . 2]" 1
1462 1 90 ILE HA 1 91 PRO HD3 . . 3.470 2.285 2.284 2.287 . 0 0 "[ . 1 . 2]" 1
1463 1 90 ILE HA 1 91 PRO QG . . 4.710 3.976 3.975 3.979 . 0 0 "[ . 1 . 2]" 1
1464 1 90 ILE HB 1 90 ILE MD . . 3.560 2.155 2.128 2.223 . 0 0 "[ . 1 . 2]" 1
1465 1 90 ILE HB 1 91 PRO HD2 . . 3.450 1.992 1.976 1.997 . 0 0 "[ . 1 . 2]" 1
1466 1 90 ILE HB 1 91 PRO HD3 . . 3.710 3.434 3.415 3.440 . 0 0 "[ . 1 . 2]" 1
1467 1 90 ILE MD 1 90 ILE MG . . 2.970 2.397 2.294 2.464 . 0 0 "[ . 1 . 2]" 1
1468 1 90 ILE MD 1 91 PRO HD2 . . 4.290 3.653 3.622 3.705 . 0 0 "[ . 1 . 2]" 1
1469 1 90 ILE MD 1 91 PRO HD3 . . 4.980 4.995 4.984 5.030 0.050 12 0 "[ . 1 . 2]" 1
1470 1 90 ILE MD 1 93 SER HB2 . . 4.620 2.791 2.690 3.010 . 0 0 "[ . 1 . 2]" 1
1471 1 90 ILE MD 1 95 PHE QD . . 3.430 3.372 3.269 3.427 . 0 0 "[ . 1 . 2]" 1
1472 1 90 ILE MD 1 95 PHE QE . . 3.400 1.885 1.822 1.934 . 0 0 "[ . 1 . 2]" 1
1473 1 90 ILE MD 1 95 PHE HZ . . 3.520 2.183 2.133 2.253 . 0 0 "[ . 1 . 2]" 1
1474 1 90 ILE HG12 1 93 SER H . . 3.990 3.991 3.947 3.998 0.008 14 0 "[ . 1 . 2]" 1
1475 1 90 ILE HG12 1 93 SER HB2 . . 4.160 2.925 2.790 3.072 . 0 0 "[ . 1 . 2]" 1
1476 1 90 ILE HG12 1 93 SER HB3 . . 4.570 2.512 2.428 2.615 . 0 0 "[ . 1 . 2]" 1
1477 1 90 ILE HG12 1 95 PHE QD . . 5.300 5.251 5.169 5.304 0.004 20 0 "[ . 1 . 2]" 1
1478 1 90 ILE HG12 1 95 PHE QE . . 4.160 4.108 3.984 4.161 0.001 20 0 "[ . 1 . 2]" 1
1479 1 90 ILE HG12 1 95 PHE HZ . . 5.060 5.044 4.991 5.062 0.002 8 0 "[ . 1 . 2]" 1
1480 1 90 ILE HG13 1 91 PRO HD2 . . 4.430 3.930 3.830 3.966 . 0 0 "[ . 1 . 2]" 1
1481 1 90 ILE HG13 1 91 PRO HD3 . . 4.990 4.865 4.801 4.886 . 0 0 "[ . 1 . 2]" 1
1482 1 90 ILE HG13 1 93 SER H . . 4.220 2.501 2.432 2.636 . 0 0 "[ . 1 . 2]" 1
1483 1 90 ILE HG13 1 93 SER HB2 . . 4.130 2.928 2.821 3.090 . 0 0 "[ . 1 . 2]" 1
1484 1 90 ILE HG13 1 93 SER HB3 . . 4.640 2.054 1.997 2.310 . 0 0 "[ . 1 . 2]" 1
1485 1 90 ILE HG13 1 95 PHE QD . . 5.440 5.319 5.255 5.359 . 0 0 "[ . 1 . 2]" 1
1486 1 90 ILE HG13 1 95 PHE QE . . 4.420 4.136 4.021 4.227 . 0 0 "[ . 1 . 2]" 1
1487 1 90 ILE HG13 1 95 PHE HZ . . 4.690 4.275 4.183 4.345 . 0 0 "[ . 1 . 2]" 1
1488 1 90 ILE MG 1 91 PRO HD2 . . 4.150 3.302 3.246 3.355 . 0 0 "[ . 1 . 2]" 1
1489 1 90 ILE MG 1 91 PRO HD3 . . 4.140 4.021 3.992 4.062 . 0 0 "[ . 1 . 2]" 1
1490 1 90 ILE MG 1 93 SER HB2 . . 4.860 4.642 4.558 4.735 . 0 0 "[ . 1 . 2]" 1
1491 1 91 PRO HA 1 92 GLY H . . 2.930 2.210 2.205 2.214 . 0 0 "[ . 1 . 2]" 1
1492 1 91 PRO HA 1 92 GLY QA . . 4.400 3.902 3.900 3.903 . 0 0 "[ . 1 . 2]" 1
1493 1 91 PRO HA 1 93 SER H . . 3.980 3.783 3.739 3.832 . 0 0 "[ . 1 . 2]" 1
1494 1 91 PRO HB2 1 92 GLY H . . 4.060 3.977 3.963 3.987 . 0 0 "[ . 1 . 2]" 1
1495 1 91 PRO HB2 1 92 GLY QA . . 5.030 4.140 4.134 4.147 . 0 0 "[ . 1 . 2]" 1
1496 1 91 PRO HB3 1 92 GLY H . . 4.310 4.321 4.310 4.329 0.019 20 0 "[ . 1 . 2]" 1
1497 1 92 GLY H 1 93 SER H . . 3.430 2.210 2.124 2.303 . 0 0 "[ . 1 . 2]" 1
1498 1 92 GLY QA 1 95 PHE QD . . 4.190 4.068 3.932 4.158 . 0 0 "[ . 1 . 2]" 1
1499 1 92 GLY QA 1 95 PHE QE . . 3.760 2.829 2.497 2.948 . 0 0 "[ . 1 . 2]" 1
1500 1 92 GLY HA2 1 95 PHE QE . . 4.400 4.229 3.829 4.386 . 0 0 "[ . 1 . 2]" 1
1501 1 92 GLY HA3 1 95 PHE QE . . 4.400 2.873 2.530 2.996 . 0 0 "[ . 1 . 2]" 1
1502 1 93 SER H 1 93 SER HB2 . . 3.500 3.157 3.127 3.194 . 0 0 "[ . 1 . 2]" 1
1503 1 93 SER H 1 93 SER HB3 . . 3.310 2.206 2.189 2.226 . 0 0 "[ . 1 . 2]" 1
1504 1 93 SER H 1 93 SER HG . . 4.260 3.859 3.804 3.913 . 0 0 "[ . 1 . 2]" 1
1505 1 93 SER H 1 94 PRO HA . . 4.940 4.758 4.754 4.762 . 0 0 "[ . 1 . 2]" 1
1506 1 93 SER HA 1 94 PRO HA . . 3.370 2.372 2.369 2.374 . 0 0 "[ . 1 . 2]" 1
1507 1 93 SER HA 1 94 PRO QB . . 4.750 3.949 3.947 3.950 . 0 0 "[ . 1 . 2]" 1
1508 1 93 SER HA 1 95 PHE H . . 3.680 2.786 2.694 2.896 . 0 0 "[ . 1 . 2]" 1
1509 1 93 SER HA 1 95 PHE HA . . 4.450 3.296 3.259 3.352 . 0 0 "[ . 1 . 2]" 1
1510 1 93 SER HA 1 95 PHE HB2 . . 5.500 4.408 4.329 4.458 . 0 0 "[ . 1 . 2]" 1
1511 1 93 SER HA 1 95 PHE QD . . 4.040 3.843 3.767 3.892 . 0 0 "[ . 1 . 2]" 1
1512 1 93 SER HA 1 95 PHE QE . . 4.600 4.431 4.333 4.510 . 0 0 "[ . 1 . 2]" 1
1513 1 93 SER HB2 1 94 PRO HA . . 4.580 2.806 2.798 2.817 . 0 0 "[ . 1 . 2]" 1
1514 1 93 SER HB2 1 95 PHE QD . . 4.380 3.662 3.452 3.755 . 0 0 "[ . 1 . 2]" 1
1515 1 93 SER HB2 1 95 PHE QE . . 4.210 3.795 3.542 3.904 . 0 0 "[ . 1 . 2]" 1
1516 1 93 SER HB3 1 94 PRO HA . . 4.650 3.743 3.740 3.747 . 0 0 "[ . 1 . 2]" 1
1517 1 93 SER HB3 1 95 PHE QE . . 5.330 4.790 4.559 4.922 . 0 0 "[ . 1 . 2]" 1
1518 1 93 SER HG 1 94 PRO HA . . 4.370 2.983 2.819 3.092 . 0 0 "[ . 1 . 2]" 1
1519 1 94 PRO HA 1 95 PHE H . . 3.110 2.212 2.193 2.236 . 0 0 "[ . 1 . 2]" 1
1520 1 94 PRO HA 1 95 PHE HA . . 5.290 4.353 4.351 4.358 . 0 0 "[ . 1 . 2]" 1
1521 1 94 PRO HA 1 95 PHE QD . . 4.690 4.581 4.417 4.660 . 0 0 "[ . 1 . 2]" 1
1522 1 94 PRO QB 1 95 PHE H . . 3.670 3.027 2.948 3.093 . 0 0 "[ . 1 . 2]" 1
1523 1 94 PRO HB2 1 95 PHE H . . 4.220 3.186 3.091 3.267 . 0 0 "[ . 1 . 2]" 1
1524 1 94 PRO HB3 1 95 PHE H . . 4.220 3.777 3.719 3.826 . 0 0 "[ . 1 . 2]" 1
1525 1 95 PHE H 1 95 PHE HB2 . . 3.440 2.304 2.281 2.326 . 0 0 "[ . 1 . 2]" 1
1526 1 95 PHE H 1 95 PHE HB3 . . 3.990 3.566 3.553 3.574 . 0 0 "[ . 1 . 2]" 1
1527 1 95 PHE H 1 95 PHE QD . . 3.410 3.182 3.001 3.290 . 0 0 "[ . 1 . 2]" 1
1528 1 95 PHE HA 1 95 PHE QD . . 3.710 2.261 2.171 2.406 . 0 0 "[ . 1 . 2]" 1
1529 1 95 PHE HA 1 95 PHE QE . . 5.500 4.307 4.277 4.376 . 0 0 "[ . 1 . 2]" 1
1530 1 95 PHE HA 1 96 LYS H . . 2.840 2.159 2.138 2.177 . 0 0 "[ . 1 . 2]" 1
1531 1 95 PHE HB2 1 96 LYS H . . 4.590 4.486 4.379 4.521 . 0 0 "[ . 1 . 2]" 1
1532 1 95 PHE HB3 1 96 LYS H . . 3.870 3.728 3.430 3.835 . 0 0 "[ . 1 . 2]" 1
1533 1 95 PHE HB3 1 97 ILE MG . . 4.330 2.947 2.844 3.148 . 0 0 "[ . 1 . 2]" 1
1534 1 95 PHE QD 1 96 LYS H . . 4.400 3.798 3.492 3.979 . 0 0 "[ . 1 . 2]" 1
1535 1 96 LYS H 1 96 LYS HB2 . . 3.650 2.467 2.403 2.651 . 0 0 "[ . 1 . 2]" 1
1536 1 96 LYS H 1 96 LYS HB3 . . 3.650 3.597 3.584 3.623 . 0 0 "[ . 1 . 2]" 1
1537 1 96 LYS H 1 96 LYS QD . . 3.890 3.769 3.557 3.876 . 0 0 "[ . 1 . 2]" 1
1538 1 96 LYS H 1 96 LYS HG2 . . 4.130 2.295 1.961 2.462 . 0 0 "[ . 1 . 2]" 1
1539 1 96 LYS H 1 96 LYS HG3 . . 4.100 3.518 3.304 3.686 . 0 0 "[ . 1 . 2]" 1
1540 1 96 LYS HA 1 96 LYS HD2 . . 4.340 2.942 2.069 3.358 . 0 0 "[ . 1 . 2]" 1
1541 1 96 LYS HA 1 96 LYS QD . . 3.580 2.240 2.001 2.567 . 0 0 "[ . 1 . 2]" 1
1542 1 96 LYS HA 1 96 LYS HD3 . . 4.340 2.631 2.022 3.698 . 0 0 "[ . 1 . 2]" 1
1543 1 96 LYS HA 1 97 ILE H . . 2.890 2.162 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
1544 1 96 LYS HB2 1 96 LYS QE . . 4.900 4.116 3.395 4.437 . 0 0 "[ . 1 . 2]" 1
1545 1 96 LYS HB2 1 97 ILE H . . 4.630 4.404 4.271 4.462 . 0 0 "[ . 1 . 2]" 1
1546 1 96 LYS HB3 1 96 LYS QD . . 3.010 2.294 2.105 2.551 . 0 0 "[ . 1 . 2]" 1
1547 1 96 LYS HB3 1 97 ILE H . . 3.860 3.726 3.538 3.803 . 0 0 "[ . 1 . 2]" 1
1548 1 96 LYS QE 1 96 LYS HG2 . . 3.810 2.680 2.237 3.419 . 0 0 "[ . 1 . 2]" 1
1549 1 96 LYS QE 1 96 LYS HG3 . . 3.760 2.437 2.083 2.894 . 0 0 "[ . 1 . 2]" 1
1550 1 97 ILE H 1 97 ILE HB . . 3.760 3.704 3.683 3.733 . 0 0 "[ . 1 . 2]" 1
1551 1 97 ILE H 1 97 ILE MD . . 3.760 3.726 3.622 3.762 0.002 17 0 "[ . 1 . 2]" 1
1552 1 97 ILE H 1 97 ILE HG12 . . 4.110 2.098 1.905 2.388 . 0 0 "[ . 1 . 2]" 1
1553 1 97 ILE H 1 97 ILE QG . . 3.590 2.011 1.883 2.083 . 0 0 "[ . 1 . 2]" 1
1554 1 97 ILE H 1 97 ILE HG13 . . 4.110 2.708 2.248 3.013 . 0 0 "[ . 1 . 2]" 1
1555 1 97 ILE H 1 97 ILE MG . . 3.690 2.817 2.663 3.016 . 0 0 "[ . 1 . 2]" 1
1556 1 97 ILE HA 1 97 ILE MD . . 4.310 4.170 4.151 4.181 . 0 0 "[ . 1 . 2]" 1
1557 1 97 ILE HA 1 97 ILE MG . . 3.360 2.273 2.161 2.360 . 0 0 "[ . 1 . 2]" 1
1558 1 97 ILE HA 1 98 ARG H . . 3.140 2.172 2.143 2.330 . 0 0 "[ . 1 . 2]" 1
1559 1 97 ILE HA 1 98 ARG HB2 . . 4.610 4.352 4.175 4.479 . 0 0 "[ . 1 . 2]" 1
1560 1 97 ILE HA 1 98 ARG HB3 . . 5.040 4.800 4.633 4.990 . 0 0 "[ . 1 . 2]" 1
1561 1 97 ILE HB 1 97 ILE MD . . 3.510 2.359 2.232 2.485 . 0 0 "[ . 1 . 2]" 1
1562 1 97 ILE HB 1 98 ARG H . . 3.890 3.146 2.557 3.364 . 0 0 "[ . 1 . 2]" 1
1563 1 97 ILE QG 1 97 ILE MG . . 3.160 2.262 2.130 2.381 . 0 0 "[ . 1 . 2]" 1
1564 1 97 ILE QG 1 98 ARG H . . 4.580 4.128 3.806 4.299 . 0 0 "[ . 1 . 2]" 1
1565 1 97 ILE HG12 1 97 ILE MG . . 3.630 2.315 2.166 2.456 . 0 0 "[ . 1 . 2]" 1
1566 1 97 ILE HG13 1 97 ILE MG . . 3.630 3.189 3.149 3.202 . 0 0 "[ . 1 . 2]" 1
1567 1 97 ILE MG 1 98 ARG H . . 3.900 3.826 3.641 3.892 . 0 0 "[ . 1 . 2]" 1
1568 1 98 ARG H 1 98 ARG HB2 . . 3.660 2.543 2.356 2.743 . 0 0 "[ . 1 . 2]" 1
1569 1 98 ARG H 1 98 ARG HB3 . . 3.910 2.653 2.495 2.832 . 0 0 "[ . 1 . 2]" 1
1570 1 98 ARG H 1 98 ARG HG2 . . 4.820 4.513 4.408 4.663 . 0 0 "[ . 1 . 2]" 1
1571 1 98 ARG H 1 98 ARG HG3 . . 4.820 4.489 4.321 4.658 . 0 0 "[ . 1 . 2]" 1
1572 1 98 ARG HA 1 98 ARG HG2 . . 4.160 2.832 2.311 3.307 . 0 0 "[ . 1 . 2]" 1
1573 1 98 ARG HA 1 98 ARG HG3 . . 4.160 2.709 2.216 3.606 . 0 0 "[ . 1 . 2]" 1
1574 1 98 ARG HA 1 99 VAL H . . 3.150 2.160 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
1575 1 98 ARG HA 1 99 VAL MG2 . . 4.020 3.692 3.532 3.923 . 0 0 "[ . 1 . 2]" 1
1576 1 98 ARG HB2 1 98 ARG QD . . 3.700 2.644 2.215 3.261 . 0 0 "[ . 1 . 2]" 1
1577 1 98 ARG HB3 1 98 ARG HD2 . . 3.710 2.798 2.150 3.635 . 0 0 "[ . 1 . 2]" 1
1578 1 98 ARG HB3 1 98 ARG QD . . 3.050 2.364 2.118 2.635 . 0 0 "[ . 1 . 2]" 1
1579 1 98 ARG HB3 1 98 ARG HD3 . . 3.710 2.836 2.337 3.695 . 0 0 "[ . 1 . 2]" 1
1580 1 98 ARG HB3 1 99 VAL H . . 4.460 4.066 3.789 4.243 . 0 0 "[ . 1 . 2]" 1
1581 1 98 ARG QG 1 99 VAL H . . 3.750 2.804 2.539 3.159 . 0 0 "[ . 1 . 2]" 1
1582 1 98 ARG HG2 1 99 VAL H . . 4.270 3.029 2.560 3.768 . 0 0 "[ . 1 . 2]" 1
1583 1 98 ARG HG3 1 99 VAL H . . 4.270 3.603 2.848 4.267 . 0 0 "[ . 1 . 2]" 1
1584 1 99 VAL H 1 99 VAL HB . . 3.650 2.599 2.444 2.732 . 0 0 "[ . 1 . 2]" 1
1585 1 99 VAL H 1 99 VAL MG1 . . 4.320 3.822 3.752 3.887 . 0 0 "[ . 1 . 2]" 1
1586 1 99 VAL H 1 99 VAL MG2 . . 3.650 2.769 2.449 3.055 . 0 0 "[ . 1 . 2]" 1
1587 1 99 VAL HA 1 99 VAL MG1 . . 3.460 2.417 2.265 2.473 . 0 0 "[ . 1 . 2]" 1
1588 1 99 VAL HA 1 99 VAL MG2 . . 3.400 2.349 2.234 2.458 . 0 0 "[ . 1 . 2]" 1
1589 1 99 VAL HA 1 100 GLY H . . 2.950 2.169 2.145 2.244 . 0 0 "[ . 1 . 2]" 1
1590 1 99 VAL HB 1 100 GLY H . . 4.800 4.318 3.873 4.517 . 0 0 "[ . 1 . 2]" 1
1591 1 99 VAL MG1 1 100 GLY H . . 3.520 2.821 2.074 3.207 . 0 0 "[ . 1 . 2]" 1
1592 1 99 VAL MG1 1 100 GLY HA2 . . 4.470 3.571 3.171 4.006 . 0 0 "[ . 1 . 2]" 1
1593 1 99 VAL MG1 1 100 GLY QA . . 3.700 3.190 2.818 3.661 . 0 0 "[ . 1 . 2]" 1
1594 1 99 VAL MG1 1 100 GLY HA3 . . 4.470 3.651 3.034 4.278 . 0 0 "[ . 1 . 2]" 1
1595 1 99 VAL MG2 1 100 GLY H . . 4.190 4.071 3.720 4.187 . 0 0 "[ . 1 . 2]" 1
1596 1 100 GLY H 1 101 GLU H . . 4.310 3.319 2.015 4.311 0.001 2 0 "[ . 1 . 2]" 1
1597 1 101 GLU H 1 101 GLU HB2 . . 4.150 2.881 2.195 3.725 . 0 0 "[ . 1 . 2]" 1
1598 1 101 GLU H 1 101 GLU QB . . 3.410 2.422 2.135 2.828 . 0 0 "[ . 1 . 2]" 1
1599 1 101 GLU H 1 101 GLU HB3 . . 4.150 2.903 2.357 3.715 . 0 0 "[ . 1 . 2]" 1
1600 1 101 GLU H 1 101 GLU QG . . 4.110 3.231 2.011 4.100 . 0 0 "[ . 1 . 2]" 1
1601 1 101 GLU HA 1 101 GLU QG . . 3.800 2.795 2.302 3.444 . 0 0 "[ . 1 . 2]" 1
1602 1 102 GLN HA 1 102 GLN QG . . 3.840 2.746 2.195 3.340 . 0 0 "[ . 1 . 2]" 1
1603 1 104 GLN HA 1 104 GLN QG . . 3.790 2.868 2.252 3.498 . 0 0 "[ . 1 . 2]" 1
1604 1 108 GLY QA 1 109 PRO QD . . 3.470 1.970 1.899 2.169 . 0 0 "[ . 1 . 2]" 1
stop_
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