NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597986 |
2n97   |
25883 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n97
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 1262
_Distance_constraint_stats_list.Viol_count 1841
_Distance_constraint_stats_list.Viol_total 3519.745
_Distance_constraint_stats_list.Viol_max 2.899
_Distance_constraint_stats_list.Viol_rms 0.1374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0279
_Distance_constraint_stats_list.Viol_average_violations_only 0.1912
_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
2 1 GLY 1.084 0.205 4 0 "[ . 1]"
2 2 LEU 4.829 0.393 10 0 "[ . 1]"
2 3 TYR 5.183 0.477 2 0 "[ . 1]"
2 4 SER 0.892 0.114 8 0 "[ . 1]"
2 5 SER 3.927 0.347 6 0 "[ . 1]"
2 6 LEU 7.626 0.355 4 0 "[ . 1]"
2 7 PRO 5.153 0.355 4 0 "[ . 1]"
2 8 PRO 0.000 0.000 . 0 "[ . 1]"
2 9 ALA 3.428 0.208 8 0 "[ . 1]"
2 10 LYS 11.719 0.636 9 2 "[ -. +1]"
2 11 ARG 5.568 0.322 4 0 "[ . 1]"
2 12 GLU 6.466 0.277 4 0 "[ . 1]"
2 13 GLU 11.999 0.636 9 3 "[ *.- +1]"
2 14 VAL 17.794 0.568 4 1 "[ +. 1]"
2 15 GLU 46.358 2.899 8 10 [******-+**]
2 16 LYS 5.002 0.625 2 1 "[ + . 1]"
2 17 LEU 6.184 0.397 4 0 "[ . 1]"
2 18 LEU 17.367 1.652 3 10 [**+***-***]
2 19 ASN 2.695 0.625 2 1 "[ + . 1]"
2 20 GLY 0.000 0.000 . 0 "[ . 1]"
2 21 SER 4.229 0.795 7 2 "[ .-+ 1]"
2 22 ALA 1.257 0.220 1 0 "[ . 1]"
2 23 GLY 0.480 0.239 7 0 "[ . 1]"
2 24 ASP 2.653 0.505 3 1 "[ + . 1]"
2 25 THR 12.276 0.795 7 5 "[- * **+ 1]"
2 26 TRP 17.169 1.026 7 6 "[* -*.*+* 1]"
2 27 ARG 2.880 0.505 3 1 "[ + . 1]"
2 28 HIS 6.914 0.734 3 5 "[* +*. - *]"
2 29 LEU 3.700 0.395 3 0 "[ . 1]"
2 30 ALA 2.629 0.598 5 1 "[ + 1]"
2 31 GLY 6.405 0.391 4 0 "[ . 1]"
2 32 GLU 4.627 0.199 5 0 "[ . 1]"
2 33 LEU 8.368 0.395 3 0 "[ . 1]"
2 34 GLY 0.490 0.076 4 0 "[ . 1]"
2 35 TYR 6.643 0.771 1 4 "[+ -*. * 1]"
2 36 GLN 1.767 0.687 2 1 "[ + . 1]"
2 37 PRO 0.609 0.423 5 0 "[ . 1]"
2 38 GLU 3.176 0.221 6 0 "[ . 1]"
2 39 HIS 4.894 0.687 2 1 "[ + . 1]"
2 40 ILE 6.185 0.598 5 1 "[ + 1]"
2 41 ASP 6.585 0.639 8 2 "[ . -+ 1]"
2 42 SER 5.708 0.309 10 0 "[ . 1]"
2 43 PHE 2.563 0.309 10 0 "[ . 1]"
2 44 THR 11.803 1.026 7 6 "[* **.*+* 1]"
2 45 HIS 0.000 0.000 . 0 "[ . 1]"
2 46 GLU 2.045 0.201 6 0 "[ . 1]"
2 47 ALA 84.116 2.899 8 10 [******-+**]
2 48 CYS 0.415 0.118 6 0 "[ . 1]"
2 49 PRO 1.419 0.194 2 0 "[ . 1]"
2 50 VAL 24.304 2.271 5 10 [*-**+*****]
2 51 ARG 2.514 0.391 2 0 "[ . 1]"
2 52 ALA 4.156 0.437 3 0 "[ . 1]"
2 53 LEU 11.165 0.709 3 6 "[**+ . *-*1]"
2 54 LEU 2.125 0.160 4 0 "[ . 1]"
2 55 ALA 7.126 0.437 3 0 "[ . 1]"
2 56 SER 7.211 0.663 9 3 "[*- . +1]"
2 57 TRP 4.672 0.384 7 0 "[ . 1]"
2 58 ALA 4.049 0.203 5 0 "[ . 1]"
2 59 THR 6.229 0.413 2 0 "[ . 1]"
2 60 GLN 7.925 0.771 1 4 "[+ -*. * 1]"
2 61 ASP 8.685 1.110 4 10 [***+*****-]
2 62 SER 1.454 0.393 10 0 "[ . 1]"
2 63 ALA 7.200 0.384 7 0 "[ . 1]"
2 64 THR 10.374 1.110 4 10 [***+*****-]
2 65 LEU 1.617 0.224 4 0 "[ . 1]"
2 66 ASP 2.696 0.534 5 1 "[ + 1]"
2 67 ALA 5.794 0.534 5 1 "[ + 1]"
2 68 LEU 9.023 0.378 4 0 "[ . 1]"
2 69 LEU 11.346 0.531 4 1 "[ +. 1]"
2 70 ALA 4.551 0.224 8 0 "[ . 1]"
2 71 ALA 4.859 0.378 4 0 "[ . 1]"
2 72 LEU 5.697 0.410 10 0 "[ . 1]"
2 73 ARG 5.458 0.481 3 0 "[ . 1]"
2 74 ARG 3.361 0.481 3 0 "[ . 1]"
2 75 ILE 9.767 0.543 5 1 "[ + 1]"
2 76 GLN 1.697 0.146 2 0 "[ . 1]"
2 77 ARG 4.275 0.322 8 0 "[ . 1]"
2 78 ALA 2.371 0.186 6 0 "[ . 1]"
2 79 ASP 4.885 0.526 8 1 "[ . + 1]"
2 80 LEU 9.837 0.717 4 4 "[ +.* - *]"
2 81 VAL 6.291 0.531 4 1 "[ +. 1]"
2 82 GLU 5.894 0.328 1 0 "[ . 1]"
2 83 SER 13.438 0.717 4 5 "[ +.*-* *]"
2 84 LEU 25.034 0.584 6 4 "[ *.+-* 1]"
2 85 CYS 9.241 0.454 5 0 "[ . 1]"
2 86 SER 3.937 0.245 3 0 "[ . 1]"
2 87 GLU 2.092 0.214 5 0 "[ . 1]"
2 88 SER 2.205 0.359 8 0 "[ . 1]"
2 89 THR 0.245 0.245 3 0 "[ . 1]"
2 90 ALA 0.000 0.000 . 0 "[ . 1]"
2 91 THR 0.000 0.000 . 0 "[ . 1]"
2 92 SER 1.086 0.555 9 2 "[ . - +1]"
2 94 VAL 1.086 0.555 9 2 "[ . - +1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 1 GLY HA2 2 2 LEU H . . 2.800 2.336 2.163 2.547 . 0 0 "[ . 1]" 1
2 2 1 GLY HA2 2 65 LEU H . . 5.500 4.918 4.709 5.058 . 0 0 "[ . 1]" 1
3 2 1 GLY HA3 2 2 LEU H . . 3.400 3.464 3.184 3.605 0.205 4 0 "[ . 1]" 1
4 2 2 LEU H 2 2 LEU HB2 . . 3.400 2.227 2.176 2.296 . 0 0 "[ . 1]" 1
5 2 2 LEU H 2 2 LEU HB3 . . 3.400 3.526 3.483 3.565 0.165 5 0 "[ . 1]" 1
6 2 2 LEU H 2 2 LEU MD1 . . 5.500 3.651 3.501 4.014 . 0 0 "[ . 1]" 1
7 2 2 LEU H 2 2 LEU MD2 . . 5.500 3.838 2.402 4.174 . 0 0 "[ . 1]" 1
8 2 2 LEU H 2 3 TYR H . . 5.500 4.639 4.584 4.688 . 0 0 "[ . 1]" 1
9 2 2 LEU H 2 5 SER H . . 5.500 4.579 4.256 4.928 . 0 0 "[ . 1]" 1
10 2 2 LEU H 2 5 SER HB2 . . 5.500 3.706 3.316 4.106 . 0 0 "[ . 1]" 1
11 2 2 LEU H 2 64 THR MG . . 5.500 4.244 3.654 4.787 . 0 0 "[ . 1]" 1
12 2 2 LEU HA 2 3 TYR H . . 2.800 2.176 2.139 2.225 . 0 0 "[ . 1]" 1
13 2 2 LEU HA 2 64 THR H . . 5.500 4.433 4.268 4.664 . 0 0 "[ . 1]" 1
14 2 2 LEU HA 2 64 THR MG . . 3.400 3.172 2.960 3.587 0.187 10 0 "[ . 1]" 1
15 2 2 LEU HA 2 65 LEU H . . 3.400 3.440 3.188 3.624 0.224 4 0 "[ . 1]" 1
16 2 2 LEU HB2 2 5 SER H . . 3.400 3.365 3.164 3.590 0.190 9 0 "[ . 1]" 1
17 2 2 LEU HB3 2 3 TYR H . . 5.500 3.281 3.162 3.432 . 0 0 "[ . 1]" 1
18 2 2 LEU HB3 2 4 SER H . . 5.500 2.691 2.509 2.830 . 0 0 "[ . 1]" 1
19 2 2 LEU HB3 2 5 SER H . . 5.500 2.980 2.847 3.208 . 0 0 "[ . 1]" 1
20 2 2 LEU MD1 2 61 ASP QB . . 5.500 3.986 3.726 4.177 . 0 0 "[ . 1]" 1
21 2 2 LEU MD1 2 63 ALA MB . . 5.500 4.081 2.153 4.643 . 0 0 "[ . 1]" 1
22 2 2 LEU MD2 2 3 TYR H . . 5.500 3.174 2.895 4.264 . 0 0 "[ . 1]" 1
23 2 2 LEU MD2 2 5 SER HB2 . . 5.500 5.233 4.437 5.847 0.347 6 0 "[ . 1]" 1
24 2 2 LEU MD2 2 61 ASP QB . . 5.500 3.574 3.242 3.830 . 0 0 "[ . 1]" 1
25 2 2 LEU MD2 2 62 SER H . . 5.500 4.706 4.401 5.893 0.393 10 0 "[ . 1]" 1
26 2 2 LEU MD2 2 63 ALA H . . 5.500 3.365 2.989 4.898 . 0 0 "[ . 1]" 1
27 2 2 LEU MD2 2 63 ALA MB . . 5.500 2.562 2.211 4.341 . 0 0 "[ . 1]" 1
28 2 2 LEU MD2 2 64 THR HA . . 5.500 2.834 2.598 2.977 . 0 0 "[ . 1]" 1
29 2 2 LEU MD2 2 64 THR MG . . 3.400 2.535 2.214 2.756 . 0 0 "[ . 1]" 1
30 2 2 LEU MD2 2 65 LEU H . . 5.500 4.689 4.466 4.884 . 0 0 "[ . 1]" 1
31 2 2 LEU HG 2 3 TYR H . . 5.500 4.725 4.571 5.028 . 0 0 "[ . 1]" 1
32 2 2 LEU HG 2 64 THR MG . . 5.500 3.040 2.609 4.656 . 0 0 "[ . 1]" 1
33 2 3 TYR H 2 3 TYR HB2 . . 3.400 2.428 2.384 2.485 . 0 0 "[ . 1]" 1
34 2 3 TYR H 2 3 TYR HB3 . . 3.400 2.508 2.458 2.617 . 0 0 "[ . 1]" 1
35 2 3 TYR H 2 3 TYR QD . . 5.500 4.160 4.144 4.180 . 0 0 "[ . 1]" 1
36 2 3 TYR H 2 4 SER H . . 5.500 2.806 2.737 2.877 . 0 0 "[ . 1]" 1
37 2 3 TYR H 2 64 THR MG . . 5.500 4.617 4.463 4.989 . 0 0 "[ . 1]" 1
38 2 3 TYR H 2 65 LEU H . . 5.500 3.747 3.548 4.134 . 0 0 "[ . 1]" 1
39 2 3 TYR HA 2 4 SER H . . 5.500 3.561 3.551 3.575 . 0 0 "[ . 1]" 1
40 2 3 TYR HA 2 5 SER H . . 5.500 3.831 3.745 3.910 . 0 0 "[ . 1]" 1
41 2 3 TYR HA 2 6 LEU H . . 5.500 3.664 3.616 3.750 . 0 0 "[ . 1]" 1
42 2 3 TYR HA 2 6 LEU MD1 . . 5.500 2.637 2.505 2.796 . 0 0 "[ . 1]" 1
43 2 3 TYR HA 2 6 LEU HG . . 3.400 2.768 2.606 2.895 . 0 0 "[ . 1]" 1
44 2 3 TYR HB2 2 3 TYR QD . . 2.800 2.467 2.429 2.494 . 0 0 "[ . 1]" 1
45 2 3 TYR HB2 2 4 SER H . . 5.500 3.994 3.931 4.060 . 0 0 "[ . 1]" 1
46 2 3 TYR HB2 2 57 TRP HH2 . . 5.500 4.728 4.595 5.007 . 0 0 "[ . 1]" 1
47 2 3 TYR HB2 2 58 ALA MB . . 5.500 5.331 4.782 5.549 0.049 7 0 "[ . 1]" 1
48 2 3 TYR HB2 2 63 ALA MB . . 5.500 3.624 3.290 3.736 . 0 0 "[ . 1]" 1
49 2 3 TYR HB2 2 68 LEU MD1 . . 5.500 3.604 2.965 5.500 0.000 3 0 "[ . 1]" 1
50 2 3 TYR HB3 2 4 SER H . . 3.400 2.773 2.690 2.859 . 0 0 "[ . 1]" 1
51 2 3 TYR HB3 2 58 ALA MB . . 5.500 3.847 3.272 4.089 . 0 0 "[ . 1]" 1
52 2 3 TYR HB3 2 63 ALA MB . . 5.500 2.678 2.591 2.768 . 0 0 "[ . 1]" 1
53 2 3 TYR QD 2 4 SER H . . 5.500 3.720 3.590 3.881 . 0 0 "[ . 1]" 1
54 2 3 TYR QD 2 4 SER HA . . 5.500 3.742 3.612 3.890 . 0 0 "[ . 1]" 1
55 2 3 TYR QD 2 6 LEU MD1 . . 5.500 2.545 2.416 2.716 . 0 0 "[ . 1]" 1
56 2 3 TYR QD 2 58 ALA MB . . 2.800 2.913 2.766 3.003 0.203 5 0 "[ . 1]" 1
57 2 3 TYR QD 2 65 LEU HA . . 5.500 4.349 4.137 4.597 . 0 0 "[ . 1]" 1
58 2 3 TYR QD 2 65 LEU MD1 . . 5.500 3.936 3.203 4.246 . 0 0 "[ . 1]" 1
59 2 3 TYR QD 2 65 LEU MD2 . . 5.500 2.791 2.123 4.097 . 0 0 "[ . 1]" 1
60 2 3 TYR QD 2 68 LEU MD1 . . 5.500 3.146 2.670 4.576 . 0 0 "[ . 1]" 1
61 2 3 TYR QE 2 6 LEU MD1 . . 5.500 2.794 2.730 2.891 . 0 0 "[ . 1]" 1
62 2 3 TYR QE 2 11 ARG HD2 . . 5.500 2.293 2.181 2.533 . 0 0 "[ . 1]" 1
63 2 3 TYR QE 2 11 ARG HD3 . . 5.500 3.822 3.634 3.957 . 0 0 "[ . 1]" 1
64 2 3 TYR QE 2 14 VAL MG1 . . 3.400 3.797 3.716 3.877 0.477 2 0 "[ . 1]" 1
65 2 3 TYR QE 2 14 VAL MG2 . . 5.500 2.386 2.246 2.486 . 0 0 "[ . 1]" 1
66 2 3 TYR QE 2 54 LEU HB2 . . 5.500 3.991 3.838 4.129 . 0 0 "[ . 1]" 1
67 2 3 TYR QE 2 54 LEU HB3 . . 5.500 2.463 2.331 2.592 . 0 0 "[ . 1]" 1
68 2 3 TYR QE 2 54 LEU MD1 . . 5.500 2.919 2.655 3.153 . 0 0 "[ . 1]" 1
69 2 3 TYR QE 2 54 LEU MD2 . . 5.500 2.785 2.675 2.889 . 0 0 "[ . 1]" 1
70 2 3 TYR QE 2 58 ALA MB . . 5.500 4.238 4.103 4.473 . 0 0 "[ . 1]" 1
71 2 3 TYR QE 2 68 LEU MD1 . . 5.500 3.813 3.393 4.931 . 0 0 "[ . 1]" 1
72 2 4 SER H 2 5 SER H . . 3.400 2.792 2.737 2.868 . 0 0 "[ . 1]" 1
73 2 4 SER HA 2 5 SER H . . 3.400 3.489 3.466 3.514 0.114 8 0 "[ . 1]" 1
74 2 4 SER HA 2 6 LEU H . . 5.500 3.901 3.837 3.990 . 0 0 "[ . 1]" 1
75 2 4 SER HB2 2 5 SER H . . 5.500 4.098 4.044 4.146 . 0 0 "[ . 1]" 1
76 2 4 SER HB2 2 58 ALA MB . . 5.500 3.152 2.252 3.681 . 0 0 "[ . 1]" 1
77 2 5 SER H 2 5 SER HA . . 2.800 2.933 2.924 2.948 0.148 2 0 "[ . 1]" 1
78 2 5 SER H 2 5 SER HB2 . . 3.400 2.455 2.406 2.509 . 0 0 "[ . 1]" 1
79 2 5 SER H 2 6 LEU H . . 2.800 2.536 2.470 2.607 . 0 0 "[ . 1]" 1
80 2 5 SER HA 2 6 LEU H . . 3.400 3.465 3.429 3.482 0.082 10 0 "[ . 1]" 1
81 2 5 SER HB2 2 6 LEU H . . 5.500 4.007 3.415 4.211 . 0 0 "[ . 1]" 1
82 2 6 LEU H 2 6 LEU HA . . 2.800 2.886 2.878 2.899 0.099 9 0 "[ . 1]" 1
83 2 6 LEU H 2 6 LEU HB2 . . 3.400 2.394 2.374 2.438 . 0 0 "[ . 1]" 1
84 2 6 LEU H 2 6 LEU HB3 . . 3.400 3.586 3.579 3.592 0.192 9 0 "[ . 1]" 1
85 2 6 LEU H 2 6 LEU MD1 . . 5.500 3.602 3.545 3.647 . 0 0 "[ . 1]" 1
86 2 6 LEU H 2 6 LEU MD2 . . 5.500 3.607 3.464 3.659 . 0 0 "[ . 1]" 1
87 2 6 LEU H 2 6 LEU HG . . 3.400 2.459 2.359 2.488 . 0 0 "[ . 1]" 1
88 2 6 LEU H 2 7 PRO HD2 . . 5.500 4.897 4.878 4.913 . 0 0 "[ . 1]" 1
89 2 6 LEU H 2 7 PRO HD3 . . 5.500 5.187 5.175 5.212 . 0 0 "[ . 1]" 1
90 2 6 LEU H 2 11 ARG HD2 . . 5.500 5.607 5.389 5.822 0.322 4 0 "[ . 1]" 1
91 2 6 LEU H 2 11 ARG HD3 . . 5.500 4.745 4.443 5.351 . 0 0 "[ . 1]" 1
92 2 6 LEU HA 2 7 PRO HB3 . . 5.500 4.911 4.895 4.933 . 0 0 "[ . 1]" 1
93 2 6 LEU HA 2 7 PRO HD3 . . 3.400 2.450 2.431 2.480 . 0 0 "[ . 1]" 1
94 2 6 LEU HB2 2 7 PRO HD2 . . 5.500 3.858 3.841 3.891 . 0 0 "[ . 1]" 1
95 2 6 LEU HB2 2 7 PRO HD3 . . 5.500 4.903 4.878 4.944 . 0 0 "[ . 1]" 1
96 2 6 LEU HB2 2 10 LYS HB2 . . 5.500 3.831 3.584 4.076 . 0 0 "[ . 1]" 1
97 2 6 LEU HB2 2 11 ARG HG2 . . 5.500 3.380 3.100 4.838 . 0 0 "[ . 1]" 1
98 2 6 LEU HB3 2 7 PRO HB3 . . 5.500 5.590 5.564 5.628 0.128 6 0 "[ . 1]" 1
99 2 6 LEU HB3 2 7 PRO HD2 . . 5.500 2.323 2.296 2.371 . 0 0 "[ . 1]" 1
100 2 6 LEU MD1 2 10 LYS HB2 . . 5.500 3.462 3.263 3.683 . 0 0 "[ . 1]" 1
101 2 6 LEU MD1 2 10 LYS HG2 . . 5.500 4.837 4.616 5.144 . 0 0 "[ . 1]" 1
102 2 6 LEU MD1 2 10 LYS HG3 . . 5.500 3.635 3.362 4.018 . 0 0 "[ . 1]" 1
103 2 6 LEU MD1 2 11 ARG HG2 . . 5.500 3.815 3.536 5.416 . 0 0 "[ . 1]" 1
104 2 6 LEU MD1 2 65 LEU MD1 . . 5.500 3.240 2.326 4.138 . 0 0 "[ . 1]" 1
105 2 6 LEU MD1 2 65 LEU MD2 . . 5.500 2.697 2.102 3.773 . 0 0 "[ . 1]" 1
106 2 6 LEU MD2 2 7 PRO HB3 . . 5.500 5.711 5.635 5.855 0.355 4 0 "[ . 1]" 1
107 2 6 LEU MD2 2 7 PRO HD2 . . 5.500 2.586 2.510 2.735 . 0 0 "[ . 1]" 1
108 2 6 LEU MD2 2 7 PRO HD3 . . 5.500 3.416 3.335 3.564 . 0 0 "[ . 1]" 1
109 2 6 LEU MD2 2 10 LYS HB2 . . 5.500 3.584 3.494 3.724 . 0 0 "[ . 1]" 1
110 2 6 LEU MD2 2 10 LYS HG3 . . 5.500 2.626 2.458 2.925 . 0 0 "[ . 1]" 1
111 2 6 LEU MD2 2 65 LEU MD1 . . 5.500 3.834 2.372 4.980 . 0 0 "[ . 1]" 1
112 2 7 PRO HA 2 8 PRO HG2 . . 5.500 4.675 4.649 4.705 . 0 0 "[ . 1]" 1
113 2 7 PRO HB3 2 10 LYS H . . 5.500 4.935 4.872 5.046 . 0 0 "[ . 1]" 1
114 2 7 PRO HB3 2 10 LYS HG2 . . 5.500 5.542 5.362 5.773 0.273 10 0 "[ . 1]" 1
115 2 7 PRO HB3 2 10 LYS HG3 . . 5.500 5.631 5.496 5.749 0.249 10 0 "[ . 1]" 1
116 2 7 PRO HD2 2 10 LYS H . . 5.500 4.150 4.104 4.249 . 0 0 "[ . 1]" 1
117 2 7 PRO HD2 2 10 LYS HB2 . . 5.500 2.751 2.617 3.042 . 0 0 "[ . 1]" 1
118 2 7 PRO HD3 2 10 LYS H . . 5.500 5.298 5.245 5.390 . 0 0 "[ . 1]" 1
119 2 7 PRO HG2 2 9 ALA H . . 5.500 3.947 3.869 4.053 . 0 0 "[ . 1]" 1
120 2 7 PRO HG2 2 9 ALA MB . . 5.500 3.417 3.316 3.515 . 0 0 "[ . 1]" 1
121 2 7 PRO HG2 2 10 LYS H . . 5.500 2.563 2.487 2.694 . 0 0 "[ . 1]" 1
122 2 7 PRO HG3 2 8 PRO HD2 . . 5.500 4.941 4.857 4.971 . 0 0 "[ . 1]" 1
123 2 7 PRO HG3 2 9 ALA H . . 5.500 5.117 5.034 5.213 . 0 0 "[ . 1]" 1
124 2 8 PRO HA 2 9 ALA H . . 5.500 3.574 3.563 3.587 . 0 0 "[ . 1]" 1
125 2 8 PRO HA 2 10 LYS H . . 5.500 4.266 4.135 4.389 . 0 0 "[ . 1]" 1
126 2 8 PRO HA 2 11 ARG H . . 5.500 3.328 3.240 3.480 . 0 0 "[ . 1]" 1
127 2 8 PRO HA 2 12 GLU H . . 5.500 4.205 3.999 4.728 . 0 0 "[ . 1]" 1
128 2 8 PRO HB2 2 9 ALA H . . 5.500 3.413 3.364 3.481 . 0 0 "[ . 1]" 1
129 2 8 PRO HB3 2 9 ALA H . . 5.500 4.256 4.234 4.285 . 0 0 "[ . 1]" 1
130 2 8 PRO HD2 2 9 ALA H . . 5.500 3.026 2.990 3.085 . 0 0 "[ . 1]" 1
131 2 8 PRO HG2 2 9 ALA H . . 5.500 2.531 2.486 2.576 . 0 0 "[ . 1]" 1
132 2 8 PRO HG2 2 9 ALA MB . . 5.500 3.729 3.684 3.817 . 0 0 "[ . 1]" 1
133 2 8 PRO HG3 2 9 ALA H . . 5.500 4.104 4.069 4.148 . 0 0 "[ . 1]" 1
134 2 9 ALA H 2 9 ALA HA . . 2.800 2.833 2.821 2.847 0.047 6 0 "[ . 1]" 1
135 2 9 ALA H 2 9 ALA MB . . 2.800 2.195 2.191 2.202 . 0 0 "[ . 1]" 1
136 2 9 ALA H 2 10 LYS H . . 3.400 2.845 2.804 2.872 . 0 0 "[ . 1]" 1
137 2 9 ALA HA 2 10 LYS H . . 3.400 3.587 3.561 3.608 0.208 8 0 "[ . 1]" 1
138 2 9 ALA HA 2 12 GLU H . . 3.400 3.521 3.371 3.594 0.194 1 0 "[ . 1]" 1
139 2 9 ALA HA 2 12 GLU HB2 . . 5.500 2.629 2.451 2.865 . 0 0 "[ . 1]" 1
140 2 9 ALA HA 2 13 GLU H . . 5.500 4.364 4.109 4.686 . 0 0 "[ . 1]" 1
141 2 9 ALA MB 2 10 LYS H . . 3.400 2.691 2.591 2.832 . 0 0 "[ . 1]" 1
142 2 9 ALA MB 2 10 LYS HB2 . . 5.500 4.512 4.411 4.679 . 0 0 "[ . 1]" 1
143 2 9 ALA MB 2 11 ARG H . . 5.500 4.610 4.539 4.692 . 0 0 "[ . 1]" 1
144 2 9 ALA MB 2 12 GLU H . . 5.500 4.751 4.614 4.807 . 0 0 "[ . 1]" 1
145 2 10 LYS H 2 10 LYS HA . . 2.800 2.908 2.880 2.935 0.135 1 0 "[ . 1]" 1
146 2 10 LYS H 2 10 LYS HB2 . . 3.400 2.272 2.228 2.327 . 0 0 "[ . 1]" 1
147 2 10 LYS H 2 10 LYS HD2 . . 5.500 4.459 4.295 4.583 . 0 0 "[ . 1]" 1
148 2 10 LYS H 2 10 LYS HG2 . . 5.500 2.852 2.689 3.039 . 0 0 "[ . 1]" 1
149 2 10 LYS H 2 10 LYS HG3 . . 5.500 3.845 3.745 4.020 . 0 0 "[ . 1]" 1
150 2 10 LYS H 2 11 ARG H . . 2.800 2.651 2.568 2.744 . 0 0 "[ . 1]" 1
151 2 10 LYS H 2 12 GLU H . . 5.500 4.253 4.146 4.338 . 0 0 "[ . 1]" 1
152 2 10 LYS HA 2 11 ARG H . . 5.500 3.553 3.531 3.568 . 0 0 "[ . 1]" 1
153 2 10 LYS HA 2 12 GLU H . . 5.500 4.556 4.479 4.665 . 0 0 "[ . 1]" 1
154 2 10 LYS HA 2 13 GLU H . . 3.400 3.391 3.297 3.462 0.062 4 0 "[ . 1]" 1
155 2 10 LYS HA 2 13 GLU HB2 . . 2.800 2.763 2.391 3.001 0.201 1 0 "[ . 1]" 1
156 2 10 LYS HA 2 14 VAL H . . 5.500 4.545 4.350 4.682 . 0 0 "[ . 1]" 1
157 2 10 LYS HB2 2 11 ARG H . . 3.400 2.913 2.813 3.073 . 0 0 "[ . 1]" 1
158 2 10 LYS HD2 2 13 GLU HB2 . . 3.400 3.722 3.516 4.036 0.636 9 2 "[ -. +1]" 1
159 2 10 LYS HD2 2 14 VAL H . . 5.500 5.751 5.239 6.068 0.568 4 1 "[ +. 1]" 1
160 2 11 ARG H 2 11 ARG HB2 . . 3.400 2.791 2.744 2.855 . 0 0 "[ . 1]" 1
161 2 11 ARG H 2 11 ARG HB3 . . 3.400 3.669 3.639 3.686 0.286 4 0 "[ . 1]" 1
162 2 11 ARG H 2 11 ARG HG2 . . 3.400 2.598 2.015 2.874 . 0 0 "[ . 1]" 1
163 2 11 ARG H 2 11 ARG HG3 . . 5.500 2.524 2.259 3.575 . 0 0 "[ . 1]" 1
164 2 11 ARG H 2 12 GLU H . . 2.800 2.663 2.569 2.712 . 0 0 "[ . 1]" 1
165 2 11 ARG H 2 12 GLU HB2 . . 5.500 4.588 4.469 4.776 . 0 0 "[ . 1]" 1
166 2 11 ARG HA 2 12 GLU H . . 3.400 3.551 3.540 3.565 0.165 5 0 "[ . 1]" 1
167 2 11 ARG HA 2 13 GLU H . . 5.500 4.286 4.209 4.402 . 0 0 "[ . 1]" 1
168 2 11 ARG HA 2 14 VAL H . . 3.400 3.311 3.251 3.484 0.084 6 0 "[ . 1]" 1
169 2 11 ARG HA 2 15 GLU H . . 5.500 4.361 4.271 4.497 . 0 0 "[ . 1]" 1
170 2 11 ARG HB2 2 12 GLU H . . 5.500 2.726 2.564 2.825 . 0 0 "[ . 1]" 1
171 2 11 ARG HB3 2 12 GLU H . . 5.500 3.897 3.826 3.987 . 0 0 "[ . 1]" 1
172 2 11 ARG HG2 2 12 GLU H . . 5.500 4.571 3.833 4.718 . 0 0 "[ . 1]" 1
173 2 12 GLU H 2 12 GLU HA . . 2.800 2.856 2.845 2.867 0.067 3 0 "[ . 1]" 1
174 2 12 GLU H 2 12 GLU HB2 . . 3.400 2.346 2.217 2.475 . 0 0 "[ . 1]" 1
175 2 12 GLU H 2 12 GLU HG2 . . 3.400 2.803 2.410 3.573 0.173 5 0 "[ . 1]" 1
176 2 12 GLU H 2 13 GLU H . . 2.800 2.887 2.824 2.919 0.119 6 0 "[ . 1]" 1
177 2 12 GLU HA 2 13 GLU H . . 5.500 3.618 3.608 3.629 . 0 0 "[ . 1]" 1
178 2 12 GLU HA 2 15 GLU H . . 3.400 3.447 3.319 3.535 0.135 6 0 "[ . 1]" 1
179 2 12 GLU HA 2 15 GLU QB . . 3.400 2.640 2.445 2.861 . 0 0 "[ . 1]" 1
180 2 12 GLU HB2 2 13 GLU H . . 5.000 2.856 2.728 3.060 . 0 0 "[ . 1]" 1
181 2 12 GLU HB3 2 14 VAL H . . 5.500 5.642 5.527 5.777 0.277 4 0 "[ . 1]" 1
182 2 13 GLU H 2 13 GLU HB2 . . 3.400 2.257 2.102 2.518 . 0 0 "[ . 1]" 1
183 2 13 GLU H 2 13 GLU HG2 . . 5.000 3.541 2.617 4.356 . 0 0 "[ . 1]" 1
184 2 13 GLU H 2 13 GLU HG3 . . 5.000 3.937 2.578 4.372 . 0 0 "[ . 1]" 1
185 2 13 GLU H 2 14 VAL H . . 2.800 2.836 2.741 2.936 0.136 3 0 "[ . 1]" 1
186 2 13 GLU H 2 14 VAL MG2 . . 5.500 4.290 4.077 4.495 . 0 0 "[ . 1]" 1
187 2 13 GLU H 2 84 LEU MD2 . . 5.500 5.642 5.384 5.968 0.468 3 0 "[ . 1]" 1
188 2 13 GLU HA 2 14 VAL H . . 3.400 3.594 3.571 3.618 0.218 3 0 "[ . 1]" 1
189 2 13 GLU HA 2 15 GLU H . . 5.500 4.456 4.373 4.523 . 0 0 "[ . 1]" 1
190 2 13 GLU HA 2 16 LYS H . . 3.400 3.142 2.996 3.287 . 0 0 "[ . 1]" 1
191 2 13 GLU HA 2 16 LYS HB2 . . 2.800 2.619 2.296 3.055 0.255 4 0 "[ . 1]" 1
192 2 13 GLU HA 2 17 LEU H . . 5.500 3.969 3.761 4.148 . 0 0 "[ . 1]" 1
193 2 13 GLU HB2 2 14 VAL H . . 3.400 3.149 2.887 3.472 0.072 9 0 "[ . 1]" 1
194 2 13 GLU HB2 2 14 VAL MG2 . . 5.500 4.003 3.649 4.295 . 0 0 "[ . 1]" 1
195 2 13 GLU HB2 2 84 LEU MD2 . . 5.500 4.393 3.891 4.953 . 0 0 "[ . 1]" 1
196 2 13 GLU HG2 2 14 VAL H . . 5.500 5.125 4.792 5.466 . 0 0 "[ . 1]" 1
197 2 13 GLU HG2 2 84 LEU MD2 . . 5.500 5.602 5.068 6.003 0.503 6 1 "[ .+ 1]" 1
198 2 13 GLU HG3 2 14 VAL H . . 5.500 5.177 4.681 5.448 . 0 0 "[ . 1]" 1
199 2 13 GLU HG3 2 84 LEU MD2 . . 5.500 5.278 5.022 5.755 0.255 5 0 "[ . 1]" 1
200 2 14 VAL H 2 14 VAL HA . . 2.800 2.887 2.876 2.908 0.108 2 0 "[ . 1]" 1
201 2 14 VAL H 2 14 VAL MG2 . . 3.400 2.168 2.106 2.246 . 0 0 "[ . 1]" 1
202 2 14 VAL H 2 15 GLU H . . 2.800 2.740 2.681 2.788 . 0 0 "[ . 1]" 1
203 2 14 VAL H 2 17 LEU MD1 . . 5.500 4.818 4.133 5.612 0.112 4 0 "[ . 1]" 1
204 2 14 VAL H 2 18 LEU QD . . 5.500 5.645 5.517 5.766 0.266 10 0 "[ . 1]" 1
205 2 14 VAL H 2 84 LEU MD1 . . 5.500 5.771 5.609 5.931 0.431 3 0 "[ . 1]" 1
206 2 14 VAL H 2 84 LEU MD2 . . 5.500 3.947 3.815 4.113 . 0 0 "[ . 1]" 1
207 2 14 VAL HA 2 15 GLU H . . 5.500 3.604 3.593 3.618 . 0 0 "[ . 1]" 1
208 2 14 VAL HA 2 17 LEU H . . 5.500 3.589 3.450 3.794 . 0 0 "[ . 1]" 1
209 2 14 VAL HA 2 17 LEU HB2 . . 5.500 2.932 2.711 3.213 . 0 0 "[ . 1]" 1
210 2 14 VAL HA 2 17 LEU HB3 . . 5.500 4.220 3.365 4.789 . 0 0 "[ . 1]" 1
211 2 14 VAL HA 2 17 LEU MD2 . . 5.500 5.176 4.812 5.395 . 0 0 "[ . 1]" 1
212 2 14 VAL HB 2 15 GLU H . . 3.400 2.674 2.618 2.735 . 0 0 "[ . 1]" 1
213 2 14 VAL MG1 2 15 GLU H . . 5.500 3.632 3.498 3.818 . 0 0 "[ . 1]" 1
214 2 14 VAL MG1 2 15 GLU HA . . 5.500 3.830 3.665 4.071 . 0 0 "[ . 1]" 1
215 2 14 VAL MG1 2 18 LEU H . . 5.500 4.341 4.107 4.923 . 0 0 "[ . 1]" 1
216 2 14 VAL MG1 2 18 LEU HG . . 5.500 5.174 4.980 5.482 . 0 0 "[ . 1]" 1
217 2 14 VAL MG1 2 84 LEU HB3 . . 5.500 5.639 5.418 5.821 0.321 5 0 "[ . 1]" 1
218 2 14 VAL MG1 2 84 LEU MD1 . . 5.500 3.123 2.955 3.313 . 0 0 "[ . 1]" 1
219 2 14 VAL MG2 2 15 GLU H . . 5.500 3.857 3.735 3.972 . 0 0 "[ . 1]" 1
220 2 14 VAL MG2 2 15 GLU HG3 . . 5.500 5.418 5.155 5.782 0.282 3 0 "[ . 1]" 1
221 2 14 VAL MG2 2 17 LEU MD1 . . 5.500 3.875 3.444 4.273 . 0 0 "[ . 1]" 1
222 2 14 VAL MG2 2 84 LEU MD1 . . 5.500 2.999 2.780 3.226 . 0 0 "[ . 1]" 1
223 2 14 VAL MG2 2 84 LEU MD2 . . 5.500 2.036 1.960 2.096 . 0 0 "[ . 1]" 1
224 2 15 GLU H 2 15 GLU HA . . 2.800 2.885 2.873 2.900 0.100 9 0 "[ . 1]" 1
225 2 15 GLU H 2 15 GLU QB . . 3.400 2.390 2.283 2.428 . 0 0 "[ . 1]" 1
226 2 15 GLU H 2 15 GLU HG2 . . 3.400 3.415 3.184 3.559 0.159 2 0 "[ . 1]" 1
227 2 15 GLU H 2 15 GLU HG3 . . 3.400 2.762 2.514 3.097 . 0 0 "[ . 1]" 1
228 2 15 GLU H 2 16 LYS H . . 2.800 2.818 2.770 2.857 0.057 3 0 "[ . 1]" 1
229 2 15 GLU H 2 16 LYS HB2 . . 5.500 4.771 4.654 4.939 . 0 0 "[ . 1]" 1
230 2 15 GLU H 2 18 LEU QD . . 5.500 4.844 4.716 4.938 . 0 0 "[ . 1]" 1
231 2 15 GLU H 2 54 LEU MD1 . . 5.500 4.113 4.038 4.231 . 0 0 "[ . 1]" 1
232 2 15 GLU HA 2 16 LYS H . . 5.500 3.611 3.592 3.622 . 0 0 "[ . 1]" 1
233 2 15 GLU HA 2 17 LEU H . . 5.500 4.516 4.423 4.586 . 0 0 "[ . 1]" 1
234 2 15 GLU HA 2 18 LEU H . . 5.500 3.603 3.413 3.812 . 0 0 "[ . 1]" 1
235 2 15 GLU HA 2 18 LEU HB2 . . 5.500 3.213 2.952 3.484 . 0 0 "[ . 1]" 1
236 2 15 GLU HA 2 18 LEU HB3 . . 5.500 4.768 4.488 5.054 . 0 0 "[ . 1]" 1
237 2 15 GLU HA 2 18 LEU QD . . 5.500 3.721 3.510 3.883 . 0 0 "[ . 1]" 1
238 2 15 GLU HA 2 19 ASN H . . 5.500 4.148 3.971 4.624 . 0 0 "[ . 1]" 1
239 2 15 GLU HA 2 47 ALA MB . . 6.400 9.172 9.080 9.299 2.899 8 10 [*-*****+**] 1
240 2 15 GLU HA 2 50 VAL QG . . 3.400 2.435 2.216 2.541 . 0 0 "[ . 1]" 1
241 2 15 GLU QB 2 16 LYS H . . 5.500 2.659 2.564 2.778 . 0 0 "[ . 1]" 1
242 2 15 GLU QB 2 18 LEU QD . . 5.500 5.123 4.952 5.265 . 0 0 "[ . 1]" 1
243 2 15 GLU QB 2 47 ALA MB . . 6.400 7.996 7.765 8.239 1.839 8 10 [******-+**] 1
244 2 15 GLU QB 2 50 VAL QG . . 5.500 3.430 3.181 3.593 . 0 0 "[ . 1]" 1
245 2 15 GLU QB 2 54 LEU MD1 . . 5.500 4.787 4.703 4.873 . 0 0 "[ . 1]" 1
246 2 15 GLU HG2 2 50 VAL QG . . 5.500 2.232 2.077 2.440 . 0 0 "[ . 1]" 1
247 2 15 GLU HG2 2 54 LEU MD1 . . 5.500 3.463 3.330 3.564 . 0 0 "[ . 1]" 1
248 2 15 GLU HG3 2 50 VAL QG . . 5.500 3.431 3.138 3.750 . 0 0 "[ . 1]" 1
249 2 15 GLU HG3 2 54 LEU MD1 . . 5.500 3.531 3.203 3.874 . 0 0 "[ . 1]" 1
250 2 16 LYS H 2 16 LYS HA . . 2.800 2.828 2.799 2.836 0.036 9 0 "[ . 1]" 1
251 2 16 LYS H 2 16 LYS HB2 . . 3.400 2.146 2.104 2.245 . 0 0 "[ . 1]" 1
252 2 16 LYS H 2 16 LYS HG2 . . 5.500 4.055 3.790 4.336 . 0 0 "[ . 1]" 1
253 2 16 LYS H 2 16 LYS HG3 . . 5.500 4.324 4.187 4.466 . 0 0 "[ . 1]" 1
254 2 16 LYS H 2 17 LEU H . . 2.800 2.872 2.836 2.921 0.121 7 0 "[ . 1]" 1
255 2 16 LYS HA 2 17 LEU H . . 5.500 3.566 3.546 3.593 . 0 0 "[ . 1]" 1
256 2 16 LYS HA 2 18 LEU H . . 5.500 4.621 4.218 4.911 . 0 0 "[ . 1]" 1
257 2 16 LYS HA 2 19 ASN H . . 5.500 3.415 3.295 3.677 . 0 0 "[ . 1]" 1
258 2 16 LYS HA 2 19 ASN HB2 . . 3.400 3.355 3.032 4.025 0.625 2 1 "[ + . 1]" 1
259 2 16 LYS HA 2 19 ASN HB3 . . 5.500 2.407 2.257 2.617 . 0 0 "[ . 1]" 1
260 2 16 LYS HB2 2 17 LEU H . . 3.400 3.616 3.540 3.797 0.397 4 0 "[ . 1]" 1
261 2 16 LYS HB3 2 17 LEU HB2 . . 6.000 4.724 4.270 4.988 . 0 0 "[ . 1]" 1
262 2 16 LYS HE2 2 17 LEU HB3 . . 6.000 5.897 5.527 6.217 0.217 5 0 "[ . 1]" 1
263 2 17 LEU H 2 17 LEU HA . . 2.800 2.858 2.830 2.887 0.087 6 0 "[ . 1]" 1
264 2 17 LEU H 2 17 LEU HB2 . . 3.400 2.189 2.107 2.317 . 0 0 "[ . 1]" 1
265 2 17 LEU H 2 17 LEU MD1 . . 5.500 3.544 3.147 4.118 . 0 0 "[ . 1]" 1
266 2 17 LEU H 2 17 LEU HG . . 5.000 3.108 2.409 4.055 . 0 0 "[ . 1]" 1
267 2 17 LEU H 2 18 LEU H . . 2.800 2.895 2.799 3.023 0.223 10 0 "[ . 1]" 1
268 2 17 LEU HA 2 18 LEU H . . 5.500 3.609 3.547 3.635 . 0 0 "[ . 1]" 1
269 2 17 LEU HB2 2 18 LEU H . . 5.000 2.938 2.502 3.537 . 0 0 "[ . 1]" 1
270 2 17 LEU HB3 2 18 LEU H . . 3.400 3.083 2.552 3.744 0.344 7 0 "[ . 1]" 1
271 2 17 LEU HB3 2 80 LEU MD2 . . 6.000 2.863 2.288 3.836 . 0 0 "[ . 1]" 1
272 2 17 LEU MD1 2 18 LEU H . . 5.500 4.574 4.334 4.712 . 0 0 "[ . 1]" 1
273 2 17 LEU MD1 2 83 SER HB2 . . 3.400 2.978 2.588 3.465 0.065 7 0 "[ . 1]" 1
274 2 17 LEU MD1 2 84 LEU H . . 5.500 3.726 3.360 3.993 . 0 0 "[ . 1]" 1
275 2 17 LEU MD2 2 80 LEU HB2 . . 5.500 5.425 5.066 5.845 0.345 6 0 "[ . 1]" 1
276 2 17 LEU HG 2 80 LEU MD2 . . 6.000 4.486 4.089 5.017 . 0 0 "[ . 1]" 1
277 2 18 LEU H 2 18 LEU HB2 . . 3.400 2.359 2.303 2.461 . 0 0 "[ . 1]" 1
278 2 18 LEU H 2 18 LEU HG . . 5.500 3.710 3.609 3.816 . 0 0 "[ . 1]" 1
279 2 18 LEU H 2 19 ASN H . . 2.800 2.667 2.268 2.847 0.047 8 0 "[ . 1]" 1
280 2 18 LEU H 2 50 VAL QG . . 5.500 3.837 3.708 4.078 . 0 0 "[ . 1]" 1
281 2 18 LEU HA 2 19 ASN H . . 5.500 3.457 3.166 3.563 . 0 0 "[ . 1]" 1
282 2 18 LEU HB2 2 50 VAL QG . . 5.500 2.357 2.182 2.575 . 0 0 "[ . 1]" 1
283 2 18 LEU HB3 2 19 ASN H . . 5.500 3.937 3.603 4.334 . 0 0 "[ . 1]" 1
284 2 18 LEU HB3 2 50 VAL QG . . 5.500 2.994 2.653 3.237 . 0 0 "[ . 1]" 1
285 2 18 LEU QD 2 19 ASN H . . 5.500 4.221 4.116 4.371 . 0 0 "[ . 1]" 1
286 2 18 LEU QD 2 22 ALA MB . . 5.500 4.099 2.846 4.725 . 0 0 "[ . 1]" 1
287 2 18 LEU QD 2 25 THR MG . . 5.500 3.695 3.517 3.846 . 0 0 "[ . 1]" 1
288 2 18 LEU QD 2 47 ALA MB . . 6.400 7.854 7.679 8.052 1.652 3 10 [**+***-***] 1
289 2 18 LEU QD 2 50 VAL QG . . 5.500 2.072 2.031 2.173 . 0 0 "[ . 1]" 1
290 2 18 LEU QD 2 54 LEU MD2 . . 5.500 4.572 4.376 4.790 . 0 0 "[ . 1]" 1
291 2 18 LEU HG 2 19 ASN H . . 5.500 5.192 5.111 5.249 . 0 0 "[ . 1]" 1
292 2 18 LEU HG 2 25 THR MG . . 5.500 4.135 3.820 4.409 . 0 0 "[ . 1]" 1
293 2 18 LEU HG 2 50 VAL QG . . 5.500 4.185 4.059 4.375 . 0 0 "[ . 1]" 1
294 2 19 ASN H 2 19 ASN HA . . 2.800 2.883 2.851 2.978 0.178 8 0 "[ . 1]" 1
295 2 19 ASN H 2 19 ASN HB2 . . 3.400 2.669 2.283 3.488 0.088 2 0 "[ . 1]" 1
296 2 19 ASN H 2 20 GLY H . . 3.400 2.679 2.323 2.839 . 0 0 "[ . 1]" 1
297 2 19 ASN H 2 50 VAL QG . . 5.500 4.289 3.980 4.648 . 0 0 "[ . 1]" 1
298 2 19 ASN HA 2 20 GLY H . . 5.500 3.536 3.474 3.591 . 0 0 "[ . 1]" 1
299 2 19 ASN HA 2 50 VAL QG . . 5.500 4.876 4.522 5.210 . 0 0 "[ . 1]" 1
300 2 19 ASN HB2 2 20 GLY H . . 5.500 4.190 3.901 4.407 . 0 0 "[ . 1]" 1
301 2 19 ASN HB2 2 50 VAL QG . . 5.500 4.721 4.351 5.397 . 0 0 "[ . 1]" 1
302 2 19 ASN HB3 2 20 GLY H . . 5.500 3.110 2.827 3.854 . 0 0 "[ . 1]" 1
303 2 19 ASN HB3 2 50 VAL QG . . 5.500 5.536 5.100 5.779 0.279 10 0 "[ . 1]" 1
304 2 20 GLY H 2 21 SER H . . 5.500 2.403 1.941 4.038 . 0 0 "[ . 1]" 1
305 2 20 GLY HA2 2 21 SER H . . 5.500 3.480 3.025 3.641 . 0 0 "[ . 1]" 1
306 2 20 GLY HA3 2 21 SER H . . 5.500 3.005 2.200 3.601 . 0 0 "[ . 1]" 1
307 2 21 SER H 2 21 SER QB . . 3.400 2.604 2.409 3.071 . 0 0 "[ . 1]" 1
308 2 21 SER H 2 22 ALA H . . 5.500 2.883 1.992 4.300 . 0 0 "[ . 1]" 1
309 2 21 SER HA 2 22 ALA H . . 3.400 3.240 2.101 3.620 0.220 1 0 "[ . 1]" 1
310 2 21 SER QB 2 22 ALA H . . 5.500 2.848 2.230 4.068 . 0 0 "[ . 1]" 1
311 2 21 SER QB 2 22 ALA MB . . 5.500 3.544 3.132 4.300 . 0 0 "[ . 1]" 1
312 2 21 SER QB 2 25 THR MG . . 5.500 5.649 5.296 6.295 0.795 7 1 "[ . + 1]" 1
313 2 21 SER QB 2 80 LEU MD1 . . 5.500 5.127 4.500 6.086 0.586 6 1 "[ .+ 1]" 1
314 2 21 SER QB 2 80 LEU MD2 . . 5.500 4.656 3.787 5.618 0.118 9 0 "[ . 1]" 1
315 2 22 ALA H 2 22 ALA MB . . 3.400 2.797 2.573 2.907 . 0 0 "[ . 1]" 1
316 2 22 ALA HA 2 23 GLY H . . 5.500 2.686 2.190 3.601 . 0 0 "[ . 1]" 1
317 2 22 ALA MB 2 23 GLY H . . 5.500 3.101 2.160 3.804 . 0 0 "[ . 1]" 1
318 2 22 ALA MB 2 25 THR H . . 5.500 3.640 2.984 4.248 . 0 0 "[ . 1]" 1
319 2 22 ALA MB 2 25 THR MG . . 5.500 2.643 2.078 3.360 . 0 0 "[ . 1]" 1
320 2 22 ALA MB 2 80 LEU MD1 . . 5.500 3.472 2.057 4.704 . 0 0 "[ . 1]" 1
321 2 23 GLY HA2 2 24 ASP H . . 5.500 3.137 2.536 3.504 . 0 0 "[ . 1]" 1
322 2 23 GLY HA2 2 25 THR H . . 5.500 4.030 3.623 4.341 . 0 0 "[ . 1]" 1
323 2 23 GLY HA2 2 26 TRP HE1 . . 5.500 5.290 4.595 5.739 0.239 7 0 "[ . 1]" 1
324 2 23 GLY HA3 2 26 TRP HD1 . . 5.500 4.719 3.944 5.410 . 0 0 "[ . 1]" 1
325 2 24 ASP H 2 25 THR H . . 5.500 2.414 2.059 3.413 . 0 0 "[ . 1]" 1
326 2 24 ASP HA 2 25 THR H . . 5.500 3.475 3.312 3.547 . 0 0 "[ . 1]" 1
327 2 24 ASP HA 2 26 TRP H . . 5.500 4.024 3.695 4.364 . 0 0 "[ . 1]" 1
328 2 24 ASP HA 2 26 TRP HE1 . . 5.500 3.439 3.129 4.242 . 0 0 "[ . 1]" 1
329 2 24 ASP HA 2 27 ARG H . . 5.500 3.732 3.470 3.941 . 0 0 "[ . 1]" 1
330 2 24 ASP HB2 2 25 THR H . . 5.500 4.247 4.120 4.553 . 0 0 "[ . 1]" 1
331 2 24 ASP HB2 2 27 ARG HB2 . . 5.500 4.200 3.573 4.601 . 0 0 "[ . 1]" 1
332 2 24 ASP HB2 2 27 ARG HB3 . . 5.500 5.667 4.935 6.005 0.505 3 1 "[ + . 1]" 1
333 2 24 ASP HB2 2 27 ARG HD2 . . 5.500 4.075 3.285 4.906 . 0 0 "[ . 1]" 1
334 2 24 ASP HB2 2 27 ARG HG3 . . 5.500 4.481 3.449 5.875 0.375 1 0 "[ . 1]" 1
335 2 24 ASP HB2 2 28 HIS HD2 . . 5.500 3.966 3.184 4.948 . 0 0 "[ . 1]" 1
336 2 25 THR H 2 25 THR HA . . 2.800 2.824 2.774 2.867 0.067 6 0 "[ . 1]" 1
337 2 25 THR H 2 25 THR HB . . 3.400 3.602 3.491 3.673 0.273 6 0 "[ . 1]" 1
338 2 25 THR H 2 26 TRP H . . 2.800 2.835 2.709 2.959 0.159 7 0 "[ . 1]" 1
339 2 25 THR HA 2 26 TRP H . . 5.500 3.513 3.484 3.534 . 0 0 "[ . 1]" 1
340 2 25 THR HA 2 27 ARG H . . 5.500 3.956 3.808 4.104 . 0 0 "[ . 1]" 1
341 2 25 THR HA 2 28 HIS H . . 5.500 3.355 3.159 3.566 . 0 0 "[ . 1]" 1
342 2 25 THR HA 2 28 HIS HD2 . . 3.400 2.956 2.485 3.299 . 0 0 "[ . 1]" 1
343 2 25 THR HA 2 29 LEU H . . 5.500 4.136 3.979 4.288 . 0 0 "[ . 1]" 1
344 2 25 THR HB 2 26 TRP H . . 3.400 3.836 3.450 4.012 0.612 6 3 "[- * .+ 1]" 1
345 2 25 THR MG 2 26 TRP H . . 5.500 4.120 4.026 4.247 . 0 0 "[ . 1]" 1
346 2 25 THR MG 2 28 HIS H . . 5.500 5.130 4.958 5.360 . 0 0 "[ . 1]" 1
347 2 25 THR MG 2 29 LEU H . . 5.500 5.411 5.138 5.591 0.091 1 0 "[ . 1]" 1
348 2 25 THR MG 2 29 LEU MD1 . . 5.500 4.876 4.573 5.063 . 0 0 "[ . 1]" 1
349 2 25 THR MG 2 72 LEU MD2 . . 5.500 4.097 3.794 4.285 . 0 0 "[ . 1]" 1
350 2 25 THR MG 2 75 ILE MD . . 3.400 3.395 3.080 3.736 0.336 5 0 "[ . 1]" 1
351 2 25 THR MG 2 75 ILE MG . . 5.500 5.731 5.490 6.043 0.543 5 1 "[ + 1]" 1
352 2 25 THR MG 2 77 ARG HG2 . . 5.500 3.712 3.516 4.001 . 0 0 "[ . 1]" 1
353 2 25 THR MG 2 80 LEU MD1 . . 3.400 2.249 2.038 2.483 . 0 0 "[ . 1]" 1
354 2 26 TRP H 2 26 TRP HD1 . . 3.400 2.575 2.517 2.658 . 0 0 "[ . 1]" 1
355 2 26 TRP H 2 26 TRP HE1 . . 5.500 4.758 4.641 4.835 . 0 0 "[ . 1]" 1
356 2 26 TRP H 2 27 ARG H . . 3.400 2.794 2.755 2.840 . 0 0 "[ . 1]" 1
357 2 26 TRP H 2 50 VAL QG . . 5.500 5.052 4.875 5.147 . 0 0 "[ . 1]" 1
358 2 26 TRP HA 2 27 ARG H . . 5.500 3.559 3.527 3.571 . 0 0 "[ . 1]" 1
359 2 26 TRP HA 2 29 LEU H . . 3.400 3.371 3.246 3.438 0.038 4 0 "[ . 1]" 1
360 2 26 TRP HA 2 29 LEU QB . . 5.500 2.224 2.159 2.307 . 0 0 "[ . 1]" 1
361 2 26 TRP HA 2 30 ALA H . . 5.500 3.836 3.753 3.872 . 0 0 "[ . 1]" 1
362 2 26 TRP HE1 2 27 ARG HD2 . . 5.500 3.855 3.040 4.725 . 0 0 "[ . 1]" 1
363 2 26 TRP HE1 2 27 ARG HG3 . . 5.500 3.260 3.129 3.783 . 0 0 "[ . 1]" 1
364 2 26 TRP HE1 2 44 THR MG . . 5.500 4.492 4.055 6.326 0.826 3 1 "[ + . 1]" 1
365 2 26 TRP HE1 2 49 PRO HB2 . . 5.500 4.120 3.974 4.235 . 0 0 "[ . 1]" 1
366 2 26 TRP HE1 2 49 PRO HB3 . . 5.500 4.705 4.597 4.848 . 0 0 "[ . 1]" 1
367 2 26 TRP HE1 2 49 PRO HG2 . . 5.500 2.827 2.554 2.937 . 0 0 "[ . 1]" 1
368 2 26 TRP HE1 2 53 LEU MD1 . . 5.500 5.973 5.679 6.209 0.709 3 4 "[* + . *- 1]" 1
369 2 26 TRP HE3 2 27 ARG HA . . 5.500 3.312 3.181 3.482 . 0 0 "[ . 1]" 1
370 2 26 TRP HE3 2 30 ALA MB . . 5.500 2.828 2.592 2.978 . 0 0 "[ . 1]" 1
371 2 26 TRP HE3 2 40 ILE MG . . 5.500 4.286 4.144 4.475 . 0 0 "[ . 1]" 1
372 2 26 TRP HE3 2 53 LEU MD1 . . 5.500 2.108 2.055 2.203 . 0 0 "[ . 1]" 1
373 2 26 TRP HE3 2 53 LEU MD2 . . 5.500 4.585 4.380 4.886 . 0 0 "[ . 1]" 1
374 2 26 TRP HH2 2 40 ILE MG . . 5.500 2.356 2.230 2.740 . 0 0 "[ . 1]" 1
375 2 26 TRP HH2 2 43 PHE HB2 . . 5.500 2.925 2.591 3.240 . 0 0 "[ . 1]" 1
376 2 26 TRP HH2 2 43 PHE HB3 . . 5.500 4.039 3.664 4.454 . 0 0 "[ . 1]" 1
377 2 26 TRP HH2 2 44 THR H . . 5.500 3.272 2.831 3.597 . 0 0 "[ . 1]" 1
378 2 26 TRP HH2 2 44 THR HA . . 5.500 4.356 3.850 4.722 . 0 0 "[ . 1]" 1
379 2 26 TRP HH2 2 44 THR HB . . 5.500 4.800 2.149 5.192 . 0 0 "[ . 1]" 1
380 2 26 TRP HH2 2 44 THR MG . . 5.500 2.179 2.063 2.709 . 0 0 "[ . 1]" 1
381 2 26 TRP HZ2 2 27 ARG HD2 . . 5.500 3.856 3.184 5.020 . 0 0 "[ . 1]" 1
382 2 26 TRP HZ2 2 44 THR HA . . 3.400 3.965 3.609 4.426 1.026 7 5 "[* *.-+* 1]" 1
383 2 26 TRP HZ2 2 44 THR HB . . 5.500 4.562 2.383 4.979 . 0 0 "[ . 1]" 1
384 2 26 TRP HZ2 2 44 THR MG . . 3.400 2.323 2.063 3.915 0.515 3 1 "[ + . 1]" 1
385 2 26 TRP HZ3 2 30 ALA MB . . 5.500 3.243 3.087 3.510 . 0 0 "[ . 1]" 1
386 2 26 TRP HZ3 2 40 ILE MG . . 3.400 2.508 2.375 2.589 . 0 0 "[ . 1]" 1
387 2 26 TRP HZ3 2 43 PHE QD . . 5.500 2.370 2.312 2.419 . 0 0 "[ . 1]" 1
388 2 27 ARG H 2 28 HIS H . . 2.800 2.582 2.539 2.677 . 0 0 "[ . 1]" 1
389 2 27 ARG HA 2 28 HIS H . . 5.500 3.535 3.525 3.544 . 0 0 "[ . 1]" 1
390 2 27 ARG HA 2 30 ALA H . . 5.500 3.500 3.387 3.645 . 0 0 "[ . 1]" 1
391 2 27 ARG HA 2 30 ALA MB . . 3.400 2.695 2.584 2.834 . 0 0 "[ . 1]" 1
392 2 27 ARG HA 2 31 GLY H . . 5.500 4.188 4.083 4.313 . 0 0 "[ . 1]" 1
393 2 27 ARG HA 2 40 ILE MD . . 5.500 3.838 3.311 4.025 . 0 0 "[ . 1]" 1
394 2 27 ARG HA 2 40 ILE MG . . 5.500 3.559 3.406 3.742 . 0 0 "[ . 1]" 1
395 2 27 ARG HB2 2 27 ARG HD3 . . 3.400 2.640 2.399 3.166 . 0 0 "[ . 1]" 1
396 2 27 ARG HB2 2 28 HIS H . . 3.400 2.498 2.408 2.573 . 0 0 "[ . 1]" 1
397 2 27 ARG HB3 2 28 HIS H . . 5.500 3.587 3.442 3.686 . 0 0 "[ . 1]" 1
398 2 27 ARG HB3 2 40 ILE MG . . 5.500 3.916 3.691 4.189 . 0 0 "[ . 1]" 1
399 2 27 ARG HD2 2 27 ARG HG3 . . 2.800 2.381 2.237 2.460 . 0 0 "[ . 1]" 1
400 2 27 ARG HD2 2 40 ILE MG . . 5.500 4.902 4.544 5.380 . 0 0 "[ . 1]" 1
401 2 27 ARG HD3 2 40 ILE MG . . 5.500 4.959 3.564 5.663 0.163 2 0 "[ . 1]" 1
402 2 27 ARG HG2 2 28 HIS H . . 5.500 4.898 4.808 5.125 . 0 0 "[ . 1]" 1
403 2 27 ARG HG2 2 40 ILE MG . . 5.500 3.256 2.951 3.503 . 0 0 "[ . 1]" 1
404 2 27 ARG HG3 2 40 ILE MG . . 5.500 4.592 3.538 4.910 . 0 0 "[ . 1]" 1
405 2 28 HIS H 2 28 HIS HA . . 2.800 2.878 2.863 2.894 0.094 2 0 "[ . 1]" 1
406 2 28 HIS H 2 28 HIS HB2 . . 3.400 2.376 2.304 2.435 . 0 0 "[ . 1]" 1
407 2 28 HIS H 2 28 HIS HD2 . . 5.500 2.358 2.214 2.592 . 0 0 "[ . 1]" 1
408 2 28 HIS H 2 29 LEU H . . 2.800 2.736 2.662 2.816 0.016 7 0 "[ . 1]" 1
409 2 28 HIS H 2 29 LEU QB . . 5.500 4.487 4.406 4.592 . 0 0 "[ . 1]" 1
410 2 28 HIS H 2 30 ALA MB . . 5.500 4.908 4.866 4.957 . 0 0 "[ . 1]" 1
411 2 28 HIS H 2 75 ILE MD . . 5.500 4.152 4.060 4.287 . 0 0 "[ . 1]" 1
412 2 28 HIS H 2 75 ILE MG . . 5.500 4.820 4.731 4.911 . 0 0 "[ . 1]" 1
413 2 28 HIS HA 2 28 HIS HD2 . . 3.400 3.925 3.782 4.134 0.734 3 5 "[* +*. - *]" 1
414 2 28 HIS HA 2 29 LEU H . . 5.500 3.616 3.608 3.625 . 0 0 "[ . 1]" 1
415 2 28 HIS HA 2 31 GLY H . . 5.500 3.582 3.481 3.730 . 0 0 "[ . 1]" 1
416 2 28 HIS HB2 2 28 HIS HD2 . . 3.400 2.859 2.766 2.942 . 0 0 "[ . 1]" 1
417 2 28 HIS HB2 2 29 LEU H . . 3.400 2.629 2.607 2.648 . 0 0 "[ . 1]" 1
418 2 28 HIS HB2 2 75 ILE HB . . 3.400 3.433 3.281 3.627 0.227 7 0 "[ . 1]" 1
419 2 28 HIS HB2 2 75 ILE MG . . 3.400 3.283 3.126 3.501 0.101 7 0 "[ . 1]" 1
420 2 28 HIS HB3 2 75 ILE MD . . 3.400 2.548 2.237 2.736 . 0 0 "[ . 1]" 1
421 2 29 LEU H 2 29 LEU HA . . 2.800 2.842 2.829 2.848 0.048 4 0 "[ . 1]" 1
422 2 29 LEU H 2 29 LEU QB . . 3.400 2.266 2.193 2.319 . 0 0 "[ . 1]" 1
423 2 29 LEU H 2 29 LEU MD1 . . 5.500 3.709 3.635 3.788 . 0 0 "[ . 1]" 1
424 2 29 LEU H 2 29 LEU MD2 . . 5.500 3.839 3.748 3.937 . 0 0 "[ . 1]" 1
425 2 29 LEU H 2 29 LEU HG . . 5.500 2.777 2.634 2.939 . 0 0 "[ . 1]" 1
426 2 29 LEU H 2 30 ALA H . . 5.500 2.984 2.973 3.001 . 0 0 "[ . 1]" 1
427 2 29 LEU H 2 75 ILE MD . . 3.400 2.823 2.704 2.949 . 0 0 "[ . 1]" 1
428 2 29 LEU H 2 75 ILE MG . . 5.500 3.640 3.537 3.763 . 0 0 "[ . 1]" 1
429 2 29 LEU HA 2 30 ALA H . . 5.500 3.631 3.614 3.639 . 0 0 "[ . 1]" 1
430 2 29 LEU HA 2 31 GLY H . . 5.500 4.448 4.390 4.493 . 0 0 "[ . 1]" 1
431 2 29 LEU HA 2 32 GLU H . . 3.400 3.499 3.458 3.599 0.199 5 0 "[ . 1]" 1
432 2 29 LEU HA 2 32 GLU HB2 . . 5.500 3.090 2.922 3.204 . 0 0 "[ . 1]" 1
433 2 29 LEU HA 2 32 GLU HB3 . . 5.500 4.702 4.255 4.929 . 0 0 "[ . 1]" 1
434 2 29 LEU HA 2 33 LEU HB2 . . 5.500 4.826 4.756 4.937 . 0 0 "[ . 1]" 1
435 2 29 LEU HA 2 75 ILE MD . . 5.500 2.966 2.740 3.103 . 0 0 "[ . 1]" 1
436 2 29 LEU HA 2 75 ILE MG . . 3.400 3.011 2.918 3.137 . 0 0 "[ . 1]" 1
437 2 29 LEU QB 2 30 ALA H . . 3.400 2.527 2.490 2.561 . 0 0 "[ . 1]" 1
438 2 29 LEU QB 2 32 GLU HB2 . . 5.500 5.040 4.910 5.181 . 0 0 "[ . 1]" 1
439 2 29 LEU QB 2 75 ILE MD . . 5.500 3.653 3.539 3.748 . 0 0 "[ . 1]" 1
440 2 29 LEU MD1 2 30 ALA H . . 5.500 4.510 4.457 4.547 . 0 0 "[ . 1]" 1
441 2 29 LEU MD1 2 33 LEU MD2 . . 5.500 4.045 3.894 4.353 . 0 0 "[ . 1]" 1
442 2 29 LEU MD1 2 53 LEU MD2 . . 5.500 4.448 4.287 4.707 . 0 0 "[ . 1]" 1
443 2 29 LEU MD1 2 54 LEU MD2 . . 5.500 4.342 4.223 4.453 . 0 0 "[ . 1]" 1
444 2 29 LEU MD1 2 68 LEU MD2 . . 5.500 2.362 2.279 2.448 . 0 0 "[ . 1]" 1
445 2 29 LEU MD1 2 71 ALA MB . . 5.500 4.019 3.949 4.113 . 0 0 "[ . 1]" 1
446 2 29 LEU MD1 2 72 LEU MD2 . . 5.500 2.611 2.216 3.165 . 0 0 "[ . 1]" 1
447 2 29 LEU MD1 2 75 ILE MD . . 5.500 3.381 3.346 3.408 . 0 0 "[ . 1]" 1
448 2 29 LEU MD2 2 30 ALA H . . 5.500 4.690 4.570 4.743 . 0 0 "[ . 1]" 1
449 2 29 LEU MD2 2 32 GLU H . . 5.500 4.895 4.841 4.940 . 0 0 "[ . 1]" 1
450 2 29 LEU MD2 2 32 GLU HB2 . . 5.500 3.785 3.728 3.857 . 0 0 "[ . 1]" 1
451 2 29 LEU MD2 2 33 LEU H . . 5.500 4.614 4.504 4.710 . 0 0 "[ . 1]" 1
452 2 29 LEU MD2 2 33 LEU MD1 . . 5.500 2.519 2.392 2.680 . 0 0 "[ . 1]" 1
453 2 29 LEU MD2 2 33 LEU MD2 . . 5.500 3.590 3.334 3.857 . 0 0 "[ . 1]" 1
454 2 29 LEU MD2 2 33 LEU HG . . 5.500 5.058 4.874 5.291 . 0 0 "[ . 1]" 1
455 2 29 LEU MD2 2 53 LEU MD1 . . 5.500 4.956 4.738 5.086 . 0 0 "[ . 1]" 1
456 2 29 LEU MD2 2 53 LEU MD2 . . 5.500 5.331 5.009 5.498 . 0 0 "[ . 1]" 1
457 2 29 LEU MD2 2 71 ALA H . . 5.500 4.225 3.982 4.301 . 0 0 "[ . 1]" 1
458 2 29 LEU MD2 2 71 ALA MB . . 3.400 2.060 2.031 2.130 . 0 0 "[ . 1]" 1
459 2 29 LEU MD2 2 72 LEU H . . 5.500 2.969 2.852 3.057 . 0 0 "[ . 1]" 1
460 2 29 LEU MD2 2 72 LEU MD2 . . 5.500 2.814 2.373 3.563 . 0 0 "[ . 1]" 1
461 2 29 LEU MD2 2 74 ARG H . . 5.500 5.483 5.359 5.620 0.120 3 0 "[ . 1]" 1
462 2 29 LEU MD2 2 75 ILE MD . . 5.500 2.693 2.453 2.974 . 0 0 "[ . 1]" 1
463 2 29 LEU MD2 2 75 ILE HG12 . . 5.500 3.357 3.204 3.539 . 0 0 "[ . 1]" 1
464 2 29 LEU MD2 2 75 ILE MG . . 5.500 3.352 3.174 3.603 . 0 0 "[ . 1]" 1
465 2 29 LEU HG 2 30 ALA H . . 5.500 4.793 4.716 4.873 . 0 0 "[ . 1]" 1
466 2 29 LEU HG 2 33 LEU MD1 . . 5.500 4.770 4.706 4.881 . 0 0 "[ . 1]" 1
467 2 29 LEU HG 2 33 LEU MD2 . . 5.500 5.634 5.485 5.895 0.395 3 0 "[ . 1]" 1
468 2 29 LEU HG 2 53 LEU MD1 . . 5.500 5.495 5.383 5.803 0.303 5 0 "[ . 1]" 1
469 2 29 LEU HG 2 75 ILE MD . . 5.500 2.185 2.129 2.229 . 0 0 "[ . 1]" 1
470 2 30 ALA H 2 30 ALA HA . . 2.800 2.804 2.789 2.812 0.012 1 0 "[ . 1]" 1
471 2 30 ALA H 2 31 GLY H . . 3.400 2.904 2.885 2.928 . 0 0 "[ . 1]" 1
472 2 30 ALA H 2 40 ILE MD . . 5.500 5.080 4.374 5.338 . 0 0 "[ . 1]" 1
473 2 30 ALA H 2 53 LEU MD1 . . 5.500 3.420 3.244 3.537 . 0 0 "[ . 1]" 1
474 2 30 ALA H 2 53 LEU MD2 . . 5.500 4.922 4.862 4.981 . 0 0 "[ . 1]" 1
475 2 30 ALA HA 2 31 GLY H . . 5.500 3.577 3.564 3.585 . 0 0 "[ . 1]" 1
476 2 30 ALA HA 2 32 GLU H . . 5.500 4.706 4.582 4.776 . 0 0 "[ . 1]" 1
477 2 30 ALA HA 2 33 LEU H . . 3.400 3.560 3.426 3.615 0.215 8 0 "[ . 1]" 1
478 2 30 ALA HA 2 33 LEU HB2 . . 5.500 2.418 2.221 2.507 . 0 0 "[ . 1]" 1
479 2 30 ALA HA 2 33 LEU MD2 . . 5.500 2.997 2.785 3.136 . 0 0 "[ . 1]" 1
480 2 30 ALA HA 2 35 TYR H . . 5.500 3.793 3.691 3.890 . 0 0 "[ . 1]" 1
481 2 30 ALA HA 2 35 TYR QD . . 3.400 2.744 2.321 3.520 0.120 10 0 "[ . 1]" 1
482 2 30 ALA MB 2 31 GLY H . . 3.400 2.639 2.603 2.700 . 0 0 "[ . 1]" 1
483 2 30 ALA MB 2 32 GLU H . . 5.500 4.843 4.779 4.895 . 0 0 "[ . 1]" 1
484 2 30 ALA MB 2 33 LEU H . . 5.500 4.748 4.662 4.782 . 0 0 "[ . 1]" 1
485 2 30 ALA MB 2 35 TYR H . . 5.500 4.015 3.937 4.127 . 0 0 "[ . 1]" 1
486 2 30 ALA MB 2 35 TYR HB2 . . 5.500 2.551 2.414 2.706 . 0 0 "[ . 1]" 1
487 2 30 ALA MB 2 35 TYR HB3 . . 5.500 3.280 2.920 3.650 . 0 0 "[ . 1]" 1
488 2 30 ALA MB 2 35 TYR QD . . 5.500 3.360 2.743 3.856 . 0 0 "[ . 1]" 1
489 2 30 ALA MB 2 40 ILE MD . . 3.400 2.689 1.969 2.944 . 0 0 "[ . 1]" 1
490 2 30 ALA MB 2 40 ILE HG12 . . 5.500 2.600 2.317 4.251 . 0 0 "[ . 1]" 1
491 2 30 ALA MB 2 40 ILE HG13 . . 3.400 3.475 3.361 3.998 0.598 5 1 "[ + 1]" 1
492 2 30 ALA MB 2 40 ILE MG . . 5.500 3.527 3.371 3.674 . 0 0 "[ . 1]" 1
493 2 30 ALA MB 2 53 LEU MD1 . . 5.500 2.587 2.365 2.728 . 0 0 "[ . 1]" 1
494 2 30 ALA MB 2 53 LEU MD2 . . 5.500 3.764 3.472 3.924 . 0 0 "[ . 1]" 1
495 2 31 GLY H 2 31 GLY HA2 . . 2.800 2.843 2.832 2.855 0.055 4 0 "[ . 1]" 1
496 2 31 GLY H 2 32 GLU H . . 2.800 2.911 2.855 2.953 0.153 7 0 "[ . 1]" 1
497 2 31 GLY H 2 40 ILE MD . . 5.500 3.987 3.859 4.167 . 0 0 "[ . 1]" 1
498 2 31 GLY H 2 40 ILE MG . . 5.500 5.698 5.431 5.891 0.391 4 0 "[ . 1]" 1
499 2 31 GLY H 2 53 LEU MD1 . . 5.500 5.697 5.487 5.796 0.296 4 0 "[ . 1]" 1
500 2 31 GLY HA2 2 32 GLU H . . 5.500 3.633 3.625 3.640 . 0 0 "[ . 1]" 1
501 2 31 GLY HA2 2 33 LEU H . . 5.500 4.623 4.603 4.679 . 0 0 "[ . 1]" 1
502 2 31 GLY HA2 2 34 GLY H . . 5.500 3.758 3.656 3.829 . 0 0 "[ . 1]" 1
503 2 31 GLY HA2 2 35 TYR H . . 5.500 4.158 3.951 4.256 . 0 0 "[ . 1]" 1
504 2 31 GLY HA2 2 40 ILE MD . . 5.500 3.740 3.473 4.099 . 0 0 "[ . 1]" 1
505 2 31 GLY HA3 2 32 GLU H . . 5.500 2.751 2.724 2.800 . 0 0 "[ . 1]" 1
506 2 31 GLY HA3 2 33 LEU H . . 5.500 4.702 4.662 4.783 . 0 0 "[ . 1]" 1
507 2 31 GLY HA3 2 34 GLY H . . 5.500 4.659 4.611 4.711 . 0 0 "[ . 1]" 1
508 2 31 GLY HA3 2 35 TYR H . . 5.500 5.576 5.438 5.677 0.177 8 0 "[ . 1]" 1
509 2 31 GLY HA3 2 40 ILE MD . . 5.500 4.517 4.303 4.893 . 0 0 "[ . 1]" 1
510 2 32 GLU H 2 32 GLU HA . . 2.800 2.923 2.910 2.935 0.135 4 0 "[ . 1]" 1
511 2 32 GLU H 2 32 GLU HG2 . . 3.400 2.692 2.484 3.105 . 0 0 "[ . 1]" 1
512 2 32 GLU H 2 32 GLU HG3 . . 5.500 3.924 3.853 4.059 . 0 0 "[ . 1]" 1
513 2 32 GLU H 2 33 LEU H . . 2.800 2.656 2.586 2.685 . 0 0 "[ . 1]" 1
514 2 32 GLU H 2 71 ALA MB . . 5.500 4.774 4.664 4.836 . 0 0 "[ . 1]" 1
515 2 32 GLU H 2 75 ILE MG . . 5.500 3.607 3.485 3.722 . 0 0 "[ . 1]" 1
516 2 32 GLU HA 2 33 LEU H . . 3.400 3.530 3.519 3.551 0.151 10 0 "[ . 1]" 1
517 2 32 GLU HA 2 34 GLY H . . 5.500 3.488 3.362 3.626 . 0 0 "[ . 1]" 1
518 2 32 GLU HB2 2 33 LEU H . . 5.500 3.121 2.998 3.181 . 0 0 "[ . 1]" 1
519 2 32 GLU HB2 2 71 ALA MB . . 5.500 3.086 2.859 3.245 . 0 0 "[ . 1]" 1
520 2 32 GLU HB2 2 75 ILE MG . . 3.400 2.797 2.703 2.997 . 0 0 "[ . 1]" 1
521 2 32 GLU HB3 2 71 ALA MB . . 5.500 3.325 2.950 3.481 . 0 0 "[ . 1]" 1
522 2 32 GLU HB3 2 75 ILE MG . . 5.500 3.621 3.534 3.788 . 0 0 "[ . 1]" 1
523 2 32 GLU HG2 2 71 ALA MB . . 5.500 5.153 4.883 5.328 . 0 0 "[ . 1]" 1
524 2 32 GLU HG2 2 75 ILE MG . . 5.500 2.469 2.391 2.684 . 0 0 "[ . 1]" 1
525 2 32 GLU HG3 2 71 ALA MB . . 5.500 4.482 4.287 4.647 . 0 0 "[ . 1]" 1
526 2 32 GLU HG3 2 74 ARG HB3 . . 3.400 2.496 2.392 2.743 . 0 0 "[ . 1]" 1
527 2 32 GLU HG3 2 75 ILE MG . . 3.400 2.128 2.075 2.206 . 0 0 "[ . 1]" 1
528 2 33 LEU H 2 33 LEU HA . . 2.800 2.908 2.899 2.915 0.115 1 0 "[ . 1]" 1
529 2 33 LEU H 2 33 LEU HB2 . . 3.400 2.168 2.141 2.183 . 0 0 "[ . 1]" 1
530 2 33 LEU H 2 33 LEU MD1 . . 5.500 2.635 2.575 2.675 . 0 0 "[ . 1]" 1
531 2 33 LEU H 2 33 LEU MD2 . . 5.500 3.809 3.717 3.907 . 0 0 "[ . 1]" 1
532 2 33 LEU H 2 34 GLY H . . 2.800 2.649 2.617 2.670 . 0 0 "[ . 1]" 1
533 2 33 LEU H 2 35 TYR QD . . 5.500 4.819 4.561 5.001 . 0 0 "[ . 1]" 1
534 2 33 LEU H 2 71 ALA MB . . 5.500 3.979 3.896 4.061 . 0 0 "[ . 1]" 1
535 2 33 LEU HA 2 34 GLY H . . 3.400 3.449 3.428 3.476 0.076 4 0 "[ . 1]" 1
536 2 33 LEU HB2 2 33 LEU MD2 . . 3.400 2.328 2.300 2.363 . 0 0 "[ . 1]" 1
537 2 33 LEU HB2 2 34 GLY H . . 5.500 3.439 3.328 3.525 . 0 0 "[ . 1]" 1
538 2 33 LEU HB2 2 35 TYR H . . 5.500 3.491 3.407 3.628 . 0 0 "[ . 1]" 1
539 2 33 LEU HB2 2 35 TYR QD . . 3.400 2.887 2.739 3.158 . 0 0 "[ . 1]" 1
540 2 33 LEU HB2 2 35 TYR QE . . 5.500 4.395 3.991 4.757 . 0 0 "[ . 1]" 1
541 2 33 LEU HB2 2 53 LEU MD2 . . 5.500 4.857 4.672 4.994 . 0 0 "[ . 1]" 1
542 2 33 LEU HB3 2 33 LEU MD1 . . 3.400 3.267 3.256 3.275 . 0 0 "[ . 1]" 1
543 2 33 LEU HB3 2 35 TYR QE . . 5.500 3.630 2.987 4.084 . 0 0 "[ . 1]" 1
544 2 33 LEU HB3 2 57 TRP HD1 . . 5.500 4.984 4.780 5.398 . 0 0 "[ . 1]" 1
545 2 33 LEU MD1 2 35 TYR QE . . 5.500 5.103 4.910 5.379 . 0 0 "[ . 1]" 1
546 2 33 LEU MD1 2 57 TRP HD1 . . 5.500 5.607 5.497 5.803 0.303 3 0 "[ . 1]" 1
547 2 33 LEU MD1 2 57 TRP HE1 . . 5.500 4.217 4.130 4.538 . 0 0 "[ . 1]" 1
548 2 33 LEU MD1 2 57 TRP HH2 . . 5.500 4.763 4.485 4.884 . 0 0 "[ . 1]" 1
549 2 33 LEU MD1 2 57 TRP HZ2 . . 5.500 3.683 3.626 3.772 . 0 0 "[ . 1]" 1
550 2 33 LEU MD1 2 67 ALA MB . . 5.500 4.305 4.108 4.414 . 0 0 "[ . 1]" 1
551 2 33 LEU MD1 2 68 LEU HA . . 3.400 3.534 3.406 3.612 0.212 3 0 "[ . 1]" 1
552 2 33 LEU MD1 2 68 LEU MD1 . . 5.500 5.478 5.385 5.560 0.060 3 0 "[ . 1]" 1
553 2 33 LEU MD1 2 68 LEU MD2 . . 5.500 3.854 3.617 3.963 . 0 0 "[ . 1]" 1
554 2 33 LEU MD1 2 71 ALA H . . 5.500 4.188 4.087 4.278 . 0 0 "[ . 1]" 1
555 2 33 LEU MD1 2 71 ALA MB . . 3.400 2.018 1.961 2.115 . 0 0 "[ . 1]" 1
556 2 33 LEU MD2 2 34 GLY H . . 5.500 5.178 5.095 5.250 . 0 0 "[ . 1]" 1
557 2 33 LEU MD2 2 35 TYR QE . . 5.500 2.420 2.240 2.693 . 0 0 "[ . 1]" 1
558 2 33 LEU MD2 2 53 LEU MD1 . . 5.500 3.658 3.521 3.749 . 0 0 "[ . 1]" 1
559 2 33 LEU MD2 2 53 LEU MD2 . . 5.500 2.838 2.610 2.963 . 0 0 "[ . 1]" 1
560 2 33 LEU MD2 2 53 LEU HG . . 5.500 4.890 4.628 5.042 . 0 0 "[ . 1]" 1
561 2 33 LEU MD2 2 54 LEU MD2 . . 5.500 5.241 5.101 5.352 . 0 0 "[ . 1]" 1
562 2 33 LEU MD2 2 57 TRP HD1 . . 5.500 3.160 3.083 3.415 . 0 0 "[ . 1]" 1
563 2 33 LEU MD2 2 68 LEU MD2 . . 5.500 4.276 3.822 4.463 . 0 0 "[ . 1]" 1
564 2 33 LEU MD2 2 71 ALA MB . . 5.500 3.886 3.773 4.044 . 0 0 "[ . 1]" 1
565 2 33 LEU HG 2 71 ALA MB . . 5.500 4.075 4.009 4.194 . 0 0 "[ . 1]" 1
566 2 34 GLY H 2 35 TYR H . . 2.800 2.628 2.570 2.672 . 0 0 "[ . 1]" 1
567 2 34 GLY H 2 35 TYR HB2 . . 5.500 4.570 4.480 4.655 . 0 0 "[ . 1]" 1
568 2 34 GLY H 2 35 TYR QD . . 5.500 4.904 4.357 5.243 . 0 0 "[ . 1]" 1
569 2 34 GLY HA2 2 35 TYR H . . 5.500 3.081 3.053 3.144 . 0 0 "[ . 1]" 1
570 2 34 GLY HA3 2 35 TYR H . . 5.500 3.542 3.519 3.564 . 0 0 "[ . 1]" 1
571 2 35 TYR H 2 35 TYR HA . . 2.800 2.898 2.887 2.908 0.108 5 0 "[ . 1]" 1
572 2 35 TYR H 2 35 TYR HB2 . . 3.400 2.201 2.122 2.282 . 0 0 "[ . 1]" 1
573 2 35 TYR H 2 35 TYR QD . . 3.400 3.179 2.697 3.474 0.074 7 0 "[ . 1]" 1
574 2 35 TYR H 2 35 TYR QE . . 5.500 5.258 4.882 5.534 0.034 7 0 "[ . 1]" 1
575 2 35 TYR H 2 36 GLN H . . 5.500 4.638 4.588 4.663 . 0 0 "[ . 1]" 1
576 2 35 TYR H 2 40 ILE MD . . 5.500 4.932 4.344 5.147 . 0 0 "[ . 1]" 1
577 2 35 TYR HA 2 36 GLN H . . 2.800 2.187 2.149 2.216 . 0 0 "[ . 1]" 1
578 2 35 TYR HB2 2 36 GLN H . . 5.500 4.330 4.185 4.434 . 0 0 "[ . 1]" 1
579 2 35 TYR HB2 2 39 HIS HB2 . . 5.500 4.468 4.118 4.841 . 0 0 "[ . 1]" 1
580 2 35 TYR HB2 2 40 ILE MD . . 5.500 4.002 2.722 4.445 . 0 0 "[ . 1]" 1
581 2 35 TYR HB2 2 40 ILE HG12 . . 5.500 4.354 4.061 4.717 . 0 0 "[ . 1]" 1
582 2 35 TYR HB2 2 40 ILE HG13 . . 5.500 4.389 4.056 5.191 . 0 0 "[ . 1]" 1
583 2 35 TYR HB3 2 35 TYR QD . . 3.400 2.512 2.303 2.603 . 0 0 "[ . 1]" 1
584 2 35 TYR HB3 2 36 GLN H . . 5.500 3.214 2.973 3.401 . 0 0 "[ . 1]" 1
585 2 35 TYR HB3 2 40 ILE MD . . 5.500 3.963 2.797 4.352 . 0 0 "[ . 1]" 1
586 2 35 TYR HB3 2 40 ILE HG12 . . 5.500 4.014 3.689 4.292 . 0 0 "[ . 1]" 1
587 2 35 TYR QD 2 36 GLN H . . 5.500 3.037 2.678 3.791 . 0 0 "[ . 1]" 1
588 2 35 TYR QD 2 39 HIS HB2 . . 5.500 2.642 2.354 3.080 . 0 0 "[ . 1]" 1
589 2 35 TYR QD 2 39 HIS HB3 . . 3.400 3.038 2.323 3.418 0.018 4 0 "[ . 1]" 1
590 2 35 TYR QD 2 53 LEU MD1 . . 5.500 4.633 4.261 5.195 . 0 0 "[ . 1]" 1
591 2 35 TYR QD 2 53 LEU MD2 . . 5.500 3.805 3.466 4.290 . 0 0 "[ . 1]" 1
592 2 35 TYR QE 2 53 LEU MD2 . . 5.500 2.998 2.338 3.708 . 0 0 "[ . 1]" 1
593 2 35 TYR QE 2 57 TRP HA . . 5.500 4.154 3.894 4.455 . 0 0 "[ . 1]" 1
594 2 35 TYR QE 2 57 TRP HB2 . . 5.500 3.690 3.301 4.318 . 0 0 "[ . 1]" 1
595 2 35 TYR QE 2 57 TRP HB3 . . 5.500 5.211 4.900 5.638 0.138 10 0 "[ . 1]" 1
596 2 35 TYR QE 2 57 TRP HD1 . . 3.400 2.569 2.334 3.249 . 0 0 "[ . 1]" 1
597 2 35 TYR QE 2 60 GLN QE . . 3.400 3.824 3.192 4.171 0.771 1 4 "[+ -*. * 1]" 1
598 2 36 GLN H 2 36 GLN HB2 . . 3.400 2.521 2.276 3.557 0.157 2 0 "[ . 1]" 1
599 2 36 GLN H 2 36 GLN HG2 . . 3.400 3.088 2.506 3.492 0.092 8 0 "[ . 1]" 1
600 2 36 GLN H 2 39 HIS HB2 . . 5.500 3.608 3.317 3.827 . 0 0 "[ . 1]" 1
601 2 36 GLN H 2 39 HIS HB3 . . 5.500 5.051 4.741 5.290 . 0 0 "[ . 1]" 1
602 2 36 GLN HB2 2 38 GLU H . . 5.500 3.663 3.099 3.966 . 0 0 "[ . 1]" 1
603 2 36 GLN HB2 2 39 HIS H . . 3.400 3.356 3.052 4.087 0.687 2 1 "[ + . 1]" 1
604 2 36 GLN HB3 2 37 PRO HD2 . . 3.400 2.415 2.190 3.540 0.140 2 0 "[ . 1]" 1
605 2 36 GLN HB3 2 38 GLU H . . 5.500 3.068 2.722 4.753 . 0 0 "[ . 1]" 1
606 2 36 GLN HE21 2 36 GLN HG2 . . 3.400 2.631 2.218 3.592 0.192 10 0 "[ . 1]" 1
607 2 36 GLN HG2 2 38 GLU H . . 5.500 5.331 3.865 5.721 0.221 6 0 "[ . 1]" 1
608 2 37 PRO HA 2 38 GLU H . . 5.500 3.563 3.545 3.582 . 0 0 "[ . 1]" 1
609 2 37 PRO HA 2 39 HIS H . . 5.500 4.023 3.931 4.094 . 0 0 "[ . 1]" 1
610 2 37 PRO HA 2 40 ILE H . . 5.500 3.182 3.064 3.308 . 0 0 "[ . 1]" 1
611 2 37 PRO HA 2 40 ILE HB . . 3.400 2.856 2.681 3.061 . 0 0 "[ . 1]" 1
612 2 37 PRO HA 2 40 ILE MD . . 3.400 2.535 2.334 3.823 0.423 5 0 "[ . 1]" 1
613 2 37 PRO HA 2 40 ILE HG12 . . 5.500 4.083 2.209 4.485 . 0 0 "[ . 1]" 1
614 2 37 PRO HA 2 40 ILE MG . . 5.500 4.161 4.056 4.334 . 0 0 "[ . 1]" 1
615 2 37 PRO HA 2 41 ASP H . . 5.500 4.259 4.122 4.390 . 0 0 "[ . 1]" 1
616 2 37 PRO HB2 2 38 GLU H . . 5.500 3.534 3.477 3.583 . 0 0 "[ . 1]" 1
617 2 37 PRO HB3 2 38 GLU H . . 5.000 4.328 4.285 4.362 . 0 0 "[ . 1]" 1
618 2 37 PRO HB3 2 40 ILE H . . 5.500 5.405 5.291 5.546 0.046 10 0 "[ . 1]" 1
619 2 37 PRO HD2 2 38 GLU H . . 5.500 3.044 2.925 3.156 . 0 0 "[ . 1]" 1
620 2 37 PRO HG2 2 38 GLU H . . 5.500 2.647 2.565 2.711 . 0 0 "[ . 1]" 1
621 2 38 GLU H 2 38 GLU HA . . 2.800 2.864 2.853 2.886 0.086 10 0 "[ . 1]" 1
622 2 38 GLU H 2 38 GLU HG3 . . 3.400 2.985 2.140 3.438 0.038 7 0 "[ . 1]" 1
623 2 38 GLU H 2 39 HIS H . . 2.800 2.803 2.721 2.834 0.034 5 0 "[ . 1]" 1
624 2 38 GLU H 2 40 ILE H . . 5.500 4.286 4.212 4.354 . 0 0 "[ . 1]" 1
625 2 38 GLU H 2 41 ASP QB . . 5.500 5.064 4.561 5.324 . 0 0 "[ . 1]" 1
626 2 38 GLU HA 2 39 HIS H . . 3.400 3.561 3.527 3.576 0.176 7 0 "[ . 1]" 1
627 2 38 GLU HA 2 40 ILE H . . 5.500 4.377 4.251 4.441 . 0 0 "[ . 1]" 1
628 2 38 GLU HA 2 41 ASP H . . 3.400 3.377 3.261 3.508 0.108 7 0 "[ . 1]" 1
629 2 38 GLU HA 2 41 ASP QB . . 2.800 2.572 2.289 2.893 0.093 7 0 "[ . 1]" 1
630 2 38 GLU HA 2 42 SER H . . 5.500 4.195 4.042 4.463 . 0 0 "[ . 1]" 1
631 2 38 GLU HB2 2 39 HIS H . . 5.500 3.855 3.080 4.186 . 0 0 "[ . 1]" 1
632 2 38 GLU HB2 2 41 ASP QB . . 5.500 4.431 4.045 5.201 . 0 0 "[ . 1]" 1
633 2 38 GLU HG3 2 39 HIS H . . 5.500 3.124 2.618 4.630 . 0 0 "[ . 1]" 1
634 2 38 GLU HG3 2 39 HIS HD2 . . 5.500 4.522 2.427 5.431 . 0 0 "[ . 1]" 1
635 2 39 HIS H 2 39 HIS HA . . 2.800 2.931 2.921 2.939 0.139 4 0 "[ . 1]" 1
636 2 39 HIS H 2 40 ILE H . . 2.800 2.528 2.463 2.597 . 0 0 "[ . 1]" 1
637 2 39 HIS H 2 40 ILE HG12 . . 5.500 5.392 3.900 5.648 0.148 3 0 "[ . 1]" 1
638 2 39 HIS H 2 41 ASP H . . 5.500 4.145 4.052 4.271 . 0 0 "[ . 1]" 1
639 2 39 HIS HA 2 39 HIS HD2 . . 3.400 3.094 2.560 3.703 0.303 8 0 "[ . 1]" 1
640 2 39 HIS HA 2 40 ILE H . . 5.500 3.579 3.567 3.585 . 0 0 "[ . 1]" 1
641 2 39 HIS HA 2 41 ASP H . . 5.500 4.468 4.418 4.522 . 0 0 "[ . 1]" 1
642 2 39 HIS HA 2 42 SER H . . 5.500 3.103 3.024 3.188 . 0 0 "[ . 1]" 1
643 2 39 HIS HA 2 42 SER HB2 . . 5.500 2.401 2.263 2.605 . 0 0 "[ . 1]" 1
644 2 39 HIS HB2 2 40 ILE H . . 5.500 2.886 2.667 3.143 . 0 0 "[ . 1]" 1
645 2 39 HIS HB3 2 40 ILE H . . 5.500 3.588 3.258 3.743 . 0 0 "[ . 1]" 1
646 2 40 ILE H 2 40 ILE HB . . 3.400 2.594 2.521 2.700 . 0 0 "[ . 1]" 1
647 2 40 ILE H 2 40 ILE MD . . 3.400 3.550 2.881 3.640 0.240 7 0 "[ . 1]" 1
648 2 40 ILE H 2 40 ILE HG12 . . 5.000 3.153 2.022 3.377 . 0 0 "[ . 1]" 1
649 2 40 ILE H 2 40 ILE HG13 . . 5.500 2.224 2.015 3.572 . 0 0 "[ . 1]" 1
650 2 40 ILE H 2 41 ASP H . . 2.800 2.772 2.728 2.842 0.042 7 0 "[ . 1]" 1
651 2 40 ILE H 2 41 ASP QB . . 5.500 4.596 4.336 4.767 . 0 0 "[ . 1]" 1
652 2 40 ILE H 2 42 SER H . . 5.500 4.107 3.956 4.190 . 0 0 "[ . 1]" 1
653 2 40 ILE HA 2 40 ILE MG . . 3.400 2.436 2.363 2.484 . 0 0 "[ . 1]" 1
654 2 40 ILE HA 2 41 ASP H . . 5.500 3.592 3.579 3.610 . 0 0 "[ . 1]" 1
655 2 40 ILE HA 2 42 SER H . . 5.500 4.437 4.060 4.584 . 0 0 "[ . 1]" 1
656 2 40 ILE HA 2 43 PHE H . . 5.500 3.420 3.358 3.497 . 0 0 "[ . 1]" 1
657 2 40 ILE HA 2 43 PHE QD . . 3.400 2.375 2.258 2.460 . 0 0 "[ . 1]" 1
658 2 40 ILE HB 2 40 ILE MD . . 3.400 2.547 2.445 3.287 . 0 0 "[ . 1]" 1
659 2 40 ILE HB 2 41 ASP H . . 3.400 2.584 2.521 2.661 . 0 0 "[ . 1]" 1
660 2 40 ILE MD 2 40 ILE MG . . 2.800 2.097 2.088 2.149 . 0 0 "[ . 1]" 1
661 2 40 ILE MD 2 41 ASP H . . 5.500 4.625 4.565 4.694 . 0 0 "[ . 1]" 1
662 2 40 ILE HG12 2 41 ASP H . . 5.500 4.882 3.998 5.040 . 0 0 "[ . 1]" 1
663 2 40 ILE HG13 2 40 ILE MG . . 3.400 3.152 2.315 3.251 . 0 0 "[ . 1]" 1
664 2 40 ILE MG 2 41 ASP H . . 5.500 3.486 3.381 3.601 . 0 0 "[ . 1]" 1
665 2 40 ILE MG 2 41 ASP HA . . 5.500 3.756 3.657 3.886 . 0 0 "[ . 1]" 1
666 2 40 ILE MG 2 43 PHE H . . 5.500 4.717 4.561 4.809 . 0 0 "[ . 1]" 1
667 2 40 ILE MG 2 43 PHE QD . . 5.500 3.942 3.702 4.059 . 0 0 "[ . 1]" 1
668 2 40 ILE MG 2 44 THR MG . . 5.500 3.058 2.815 3.402 . 0 0 "[ . 1]" 1
669 2 41 ASP H 2 42 SER H . . 2.800 2.843 2.778 2.890 0.090 1 0 "[ . 1]" 1
670 2 41 ASP H 2 43 PHE H . . 5.500 4.291 4.194 4.439 . 0 0 "[ . 1]" 1
671 2 41 ASP HA 2 42 SER H . . 3.400 3.596 3.511 3.633 0.233 1 0 "[ . 1]" 1
672 2 41 ASP HA 2 43 PHE H . . 5.500 4.383 4.150 4.583 . 0 0 "[ . 1]" 1
673 2 41 ASP HA 2 44 THR H . . 5.500 3.491 3.307 3.644 . 0 0 "[ . 1]" 1
674 2 41 ASP HA 2 44 THR MG . . 3.400 3.649 2.120 4.039 0.639 8 2 "[ . -+ 1]" 1
675 2 41 ASP QB 2 42 SER H . . 3.400 2.780 2.589 3.004 . 0 0 "[ . 1]" 1
676 2 41 ASP QB 2 43 PHE H . . 5.500 4.847 4.681 5.057 . 0 0 "[ . 1]" 1
677 2 41 ASP QB 2 44 THR MG . . 5.500 5.238 3.641 5.561 0.061 8 0 "[ . 1]" 1
678 2 42 SER H 2 42 SER HA . . 2.800 2.882 2.849 2.939 0.139 4 0 "[ . 1]" 1
679 2 42 SER H 2 42 SER HB2 . . 3.400 2.448 2.321 2.505 . 0 0 "[ . 1]" 1
680 2 42 SER H 2 43 PHE H . . 2.800 2.754 2.528 2.885 0.085 3 0 "[ . 1]" 1
681 2 42 SER H 2 44 THR H . . 5.500 4.395 4.170 4.647 . 0 0 "[ . 1]" 1
682 2 42 SER HA 2 43 PHE H . . 3.400 3.599 3.552 3.628 0.228 9 0 "[ . 1]" 1
683 2 42 SER HA 2 44 THR H . . 5.500 4.652 4.539 4.767 . 0 0 "[ . 1]" 1
684 2 42 SER HB2 2 43 PHE H . . 3.400 2.970 2.720 3.709 0.309 10 0 "[ . 1]" 1
685 2 43 PHE H 2 43 PHE HB2 . . 3.400 2.489 2.468 2.519 . 0 0 "[ . 1]" 1
686 2 43 PHE H 2 43 PHE QD . . 5.500 3.313 3.259 3.396 . 0 0 "[ . 1]" 1
687 2 43 PHE H 2 44 THR H . . 2.800 2.763 2.626 2.841 0.041 9 0 "[ . 1]" 1
688 2 43 PHE H 2 44 THR MG . . 5.500 4.662 3.935 4.879 . 0 0 "[ . 1]" 1
689 2 43 PHE HA 2 44 THR H . . 5.500 3.622 3.597 3.641 . 0 0 "[ . 1]" 1
690 2 43 PHE HA 2 52 ALA MB . . 5.500 2.750 2.504 2.878 . 0 0 "[ . 1]" 1
691 2 43 PHE HB2 2 44 THR H . . 5.500 2.783 2.621 2.873 . 0 0 "[ . 1]" 1
692 2 43 PHE HB3 2 44 THR H . . 5.500 3.741 3.629 3.806 . 0 0 "[ . 1]" 1
693 2 43 PHE QD 2 52 ALA MB . . 3.400 2.212 2.138 2.433 . 0 0 "[ . 1]" 1
694 2 43 PHE QD 2 53 LEU H . . 5.500 3.595 3.516 3.662 . 0 0 "[ . 1]" 1
695 2 43 PHE QD 2 53 LEU MD2 . . 5.500 4.475 4.362 4.588 . 0 0 "[ . 1]" 1
696 2 43 PHE QE 2 52 ALA MB . . 5.500 3.422 3.208 3.951 . 0 0 "[ . 1]" 1
697 2 43 PHE QE 2 53 LEU HA . . 5.500 2.798 2.691 2.886 . 0 0 "[ . 1]" 1
698 2 43 PHE QE 2 53 LEU MD2 . . 5.500 3.524 3.399 3.695 . 0 0 "[ . 1]" 1
699 2 43 PHE QE 2 56 SER HB2 . . 5.500 2.374 2.248 2.569 . 0 0 "[ . 1]" 1
700 2 43 PHE HZ 2 53 LEU HA . . 5.500 3.189 2.961 3.682 . 0 0 "[ . 1]" 1
701 2 43 PHE HZ 2 53 LEU MD2 . . 5.500 3.513 3.423 3.718 . 0 0 "[ . 1]" 1
702 2 43 PHE HZ 2 56 SER HB2 . . 5.500 3.230 2.729 3.817 . 0 0 "[ . 1]" 1
703 2 44 THR H 2 44 THR HA . . 2.800 2.888 2.873 2.907 0.107 3 0 "[ . 1]" 1
704 2 44 THR H 2 44 THR MG . . 3.400 2.544 2.226 2.771 . 0 0 "[ . 1]" 1
705 2 44 THR H 2 45 HIS H . . 5.500 2.898 2.744 2.975 . 0 0 "[ . 1]" 1
706 2 44 THR H 2 46 GLU H . . 5.500 4.731 4.628 4.880 . 0 0 "[ . 1]" 1
707 2 44 THR HA 2 46 GLU H . . 5.500 3.363 3.187 3.686 . 0 0 "[ . 1]" 1
708 2 44 THR HA 2 49 PRO HB2 . . 5.500 4.109 3.746 4.301 . 0 0 "[ . 1]" 1
709 2 45 HIS H 2 46 GLU H . . 5.500 2.813 2.737 2.960 . 0 0 "[ . 1]" 1
710 2 45 HIS HA 2 46 GLU H . . 5.500 3.512 3.465 3.564 . 0 0 "[ . 1]" 1
711 2 45 HIS HB2 2 46 GLU H . . 5.500 3.526 2.802 4.216 . 0 0 "[ . 1]" 1
712 2 45 HIS HB3 2 46 GLU H . . 5.500 3.559 2.998 3.971 . 0 0 "[ . 1]" 1
713 2 45 HIS HB3 2 46 GLU HA . . 5.000 4.670 4.438 4.899 . 0 0 "[ . 1]" 1
714 2 46 GLU H 2 46 GLU HA . . 2.800 2.991 2.966 3.001 0.201 6 0 "[ . 1]" 1
715 2 46 GLU H 2 47 ALA H . . 5.500 4.561 4.488 4.641 . 0 0 "[ . 1]" 1
716 2 46 GLU H 2 49 PRO HA . . 5.500 4.142 3.981 4.314 . 0 0 "[ . 1]" 1
717 2 46 GLU HA 2 47 ALA H . . 2.800 2.331 2.304 2.359 . 0 0 "[ . 1]" 1
718 2 46 GLU QB 2 47 ALA H . . 5.500 3.277 2.549 3.482 . 0 0 "[ . 1]" 1
719 2 46 GLU QB 2 48 CYS H . . 5.500 2.703 2.464 3.090 . 0 0 "[ . 1]" 1
720 2 46 GLU QB 2 49 PRO HA . . 5.500 3.500 3.128 5.190 . 0 0 "[ . 1]" 1
721 2 46 GLU QB 2 51 ARG HG2 . . 5.000 4.031 3.813 5.131 0.131 2 0 "[ . 1]" 1
722 2 46 GLU QB 2 52 ALA MB . . 6.000 3.443 2.964 4.679 . 0 0 "[ . 1]" 1
723 2 46 GLU QG 2 47 ALA H . . 5.500 2.370 2.113 3.673 . 0 0 "[ . 1]" 1
724 2 46 GLU QG 2 47 ALA MB . . 6.400 3.525 3.299 4.580 . 0 0 "[ . 1]" 1
725 2 46 GLU QG 2 51 ARG HD3 . . 5.000 2.854 2.520 4.545 . 0 0 "[ . 1]" 1
726 2 47 ALA H 2 47 ALA HA . . 2.800 2.856 2.831 2.881 0.081 8 0 "[ . 1]" 1
727 2 47 ALA H 2 47 ALA MB . . 3.400 2.193 2.184 2.212 . 0 0 "[ . 1]" 1
728 2 47 ALA H 2 48 CYS H . . 5.500 2.771 2.713 2.851 . 0 0 "[ . 1]" 1
729 2 47 ALA HA 2 48 CYS H . . 5.500 3.518 3.463 3.565 . 0 0 "[ . 1]" 1
730 2 47 ALA MB 2 48 CYS H . . 5.500 2.907 2.749 3.077 . 0 0 "[ . 1]" 1
731 2 47 ALA MB 2 48 CYS HB3 . . 5.500 5.196 5.110 5.289 . 0 0 "[ . 1]" 1
732 2 47 ALA MB 2 49 PRO HA . . 6.400 6.496 6.410 6.594 0.194 2 0 "[ . 1]" 1
733 2 47 ALA MB 2 49 PRO HG3 . . 6.400 6.369 6.256 6.463 0.063 7 0 "[ . 1]" 1
734 2 47 ALA MB 2 50 VAL HB . . 6.400 8.582 8.459 8.671 2.271 5 10 [*-**+*****] 1
735 2 47 ALA MB 2 51 ARG HG2 . . 6.400 6.638 6.404 6.791 0.391 2 0 "[ . 1]" 1
736 2 48 CYS HB2 2 51 ARG HB2 . . 5.500 4.853 4.706 4.961 . 0 0 "[ . 1]" 1
737 2 48 CYS HB2 2 52 ALA MB . . 5.500 5.510 5.336 5.618 0.118 6 0 "[ . 1]" 1
738 2 48 CYS HB3 2 51 ARG HD2 . . 5.500 3.200 2.940 4.469 . 0 0 "[ . 1]" 1
739 2 48 CYS HB3 2 52 ALA H . . 5.500 5.037 4.863 5.164 . 0 0 "[ . 1]" 1
740 2 49 PRO HA 2 50 VAL H . . 5.500 3.534 3.526 3.542 . 0 0 "[ . 1]" 1
741 2 49 PRO HA 2 52 ALA H . . 5.500 3.459 3.326 3.523 . 0 0 "[ . 1]" 1
742 2 49 PRO HA 2 52 ALA MB . . 3.400 2.851 2.645 2.936 . 0 0 "[ . 1]" 1
743 2 49 PRO HA 2 53 LEU H . . 5.500 4.057 3.995 4.119 . 0 0 "[ . 1]" 1
744 2 49 PRO HB2 2 50 VAL H . . 3.400 3.425 3.364 3.468 0.068 3 0 "[ . 1]" 1
745 2 49 PRO HB2 2 50 VAL QG . . 5.500 4.822 4.767 4.869 . 0 0 "[ . 1]" 1
746 2 49 PRO HB3 2 50 VAL H . . 5.500 4.203 4.150 4.221 . 0 0 "[ . 1]" 1
747 2 49 PRO HD2 2 50 VAL H . . 5.500 2.903 2.842 2.960 . 0 0 "[ . 1]" 1
748 2 49 PRO HG2 2 50 VAL H . . 5.500 2.401 2.324 2.461 . 0 0 "[ . 1]" 1
749 2 49 PRO HG3 2 50 VAL H . . 5.500 3.988 3.912 4.039 . 0 0 "[ . 1]" 1
750 2 50 VAL H 2 50 VAL HA . . 2.800 2.799 2.781 2.813 0.013 3 0 "[ . 1]" 1
751 2 50 VAL H 2 50 VAL QG . . 3.400 2.055 1.981 2.092 . 0 0 "[ . 1]" 1
752 2 50 VAL H 2 51 ARG H . . 5.500 3.017 2.965 3.055 . 0 0 "[ . 1]" 1
753 2 50 VAL H 2 52 ALA H . . 5.500 4.498 4.419 4.574 . 0 0 "[ . 1]" 1
754 2 50 VAL HA 2 53 LEU H . . 3.400 3.517 3.375 3.602 0.202 3 0 "[ . 1]" 1
755 2 50 VAL HA 2 53 LEU HB3 . . 5.500 2.728 2.587 2.941 . 0 0 "[ . 1]" 1
756 2 50 VAL HA 2 54 LEU H . . 5.500 3.645 3.550 3.724 . 0 0 "[ . 1]" 1
757 2 50 VAL QG 2 51 ARG HB2 . . 5.500 4.248 4.132 4.317 . 0 0 "[ . 1]" 1
758 2 50 VAL QG 2 52 ALA H . . 5.500 4.249 4.220 4.281 . 0 0 "[ . 1]" 1
759 2 50 VAL QG 2 54 LEU H . . 5.500 3.788 3.654 3.854 . 0 0 "[ . 1]" 1
760 2 51 ARG H 2 52 ALA H . . 3.400 2.631 2.607 2.651 . 0 0 "[ . 1]" 1
761 2 51 ARG H 2 53 LEU H . . 5.500 4.165 4.109 4.224 . 0 0 "[ . 1]" 1
762 2 51 ARG HA 2 52 ALA H . . 5.500 3.526 3.522 3.534 . 0 0 "[ . 1]" 1
763 2 51 ARG HA 2 53 LEU H . . 5.500 4.632 4.586 4.674 . 0 0 "[ . 1]" 1
764 2 51 ARG HA 2 54 LEU H . . 5.500 3.757 3.637 3.823 . 0 0 "[ . 1]" 1
765 2 51 ARG HA 2 54 LEU HB2 . . 5.500 2.959 2.771 3.094 . 0 0 "[ . 1]" 1
766 2 51 ARG HA 2 55 ALA H . . 5.500 3.966 3.744 4.062 . 0 0 "[ . 1]" 1
767 2 51 ARG HB2 2 52 ALA H . . 5.500 4.081 4.047 4.131 . 0 0 "[ . 1]" 1
768 2 51 ARG HG2 2 52 ALA H . . 5.500 2.316 2.286 2.386 . 0 0 "[ . 1]" 1
769 2 51 ARG HG3 2 52 ALA H . . 5.500 3.088 3.007 3.203 . 0 0 "[ . 1]" 1
770 2 52 ALA H 2 52 ALA HA . . 2.800 2.894 2.874 2.903 0.103 4 0 "[ . 1]" 1
771 2 52 ALA H 2 52 ALA MB . . 3.400 2.214 2.208 2.222 . 0 0 "[ . 1]" 1
772 2 52 ALA H 2 53 LEU H . . 2.800 2.653 2.620 2.762 . 0 0 "[ . 1]" 1
773 2 52 ALA H 2 54 LEU H . . 5.500 4.346 4.310 4.392 . 0 0 "[ . 1]" 1
774 2 52 ALA HA 2 53 LEU H . . 5.500 3.608 3.597 3.615 . 0 0 "[ . 1]" 1
775 2 52 ALA HA 2 54 LEU H . . 5.500 4.816 4.774 4.886 . 0 0 "[ . 1]" 1
776 2 52 ALA HA 2 55 ALA H . . 3.400 3.680 3.604 3.837 0.437 3 0 "[ . 1]" 1
777 2 52 ALA HA 2 56 SER H . . 5.500 3.873 3.835 3.907 . 0 0 "[ . 1]" 1
778 2 52 ALA MB 2 53 LEU H . . 3.400 2.548 2.476 2.584 . 0 0 "[ . 1]" 1
779 2 53 LEU H 2 53 LEU HB3 . . 3.400 2.776 2.754 2.818 . 0 0 "[ . 1]" 1
780 2 53 LEU H 2 53 LEU MD1 . . 5.500 4.166 4.150 4.177 . 0 0 "[ . 1]" 1
781 2 53 LEU H 2 53 LEU MD2 . . 5.500 4.354 4.347 4.363 . 0 0 "[ . 1]" 1
782 2 53 LEU H 2 53 LEU HG . . 5.500 4.236 4.199 4.261 . 0 0 "[ . 1]" 1
783 2 53 LEU H 2 54 LEU H . . 2.800 2.911 2.884 2.960 0.160 4 0 "[ . 1]" 1
784 2 53 LEU HA 2 54 LEU H . . 5.500 3.625 3.620 3.631 . 0 0 "[ . 1]" 1
785 2 53 LEU HA 2 56 SER H . . 5.500 3.712 3.669 3.804 . 0 0 "[ . 1]" 1
786 2 53 LEU HA 2 56 SER HB2 . . 3.400 3.310 2.946 4.063 0.663 9 3 "[*- . +1]" 1
787 2 53 LEU HA 2 57 TRP H . . 5.500 3.887 3.754 4.082 . 0 0 "[ . 1]" 1
788 2 53 LEU HB3 2 54 LEU H . . 3.400 2.391 2.359 2.451 . 0 0 "[ . 1]" 1
789 2 53 LEU HB3 2 55 ALA H . . 5.500 5.086 5.021 5.176 . 0 0 "[ . 1]" 1
790 2 53 LEU MD2 2 54 LEU H . . 5.500 3.612 3.571 3.680 . 0 0 "[ . 1]" 1
791 2 53 LEU MD2 2 57 TRP H . . 5.500 3.398 3.251 3.660 . 0 0 "[ . 1]" 1
792 2 53 LEU HG 2 54 LEU H . . 5.500 4.980 4.959 5.004 . 0 0 "[ . 1]" 1
793 2 54 LEU H 2 54 LEU HB2 . . 3.400 2.424 2.414 2.434 . 0 0 "[ . 1]" 1
794 2 54 LEU H 2 54 LEU MD1 . . 5.500 3.472 3.429 3.511 . 0 0 "[ . 1]" 1
795 2 54 LEU H 2 54 LEU MD2 . . 5.500 3.548 3.523 3.592 . 0 0 "[ . 1]" 1
796 2 54 LEU H 2 54 LEU HG . . 3.400 2.320 2.285 2.351 . 0 0 "[ . 1]" 1
797 2 54 LEU H 2 55 ALA H . . 2.800 2.902 2.883 2.929 0.129 3 0 "[ . 1]" 1
798 2 54 LEU H 2 55 ALA MB . . 5.500 4.503 4.490 4.534 . 0 0 "[ . 1]" 1
799 2 54 LEU H 2 56 SER H . . 5.500 4.450 4.327 4.509 . 0 0 "[ . 1]" 1
800 2 54 LEU HA 2 55 ALA H . . 5.500 3.611 3.604 3.621 . 0 0 "[ . 1]" 1
801 2 54 LEU HA 2 56 SER H . . 5.500 4.712 4.576 4.797 . 0 0 "[ . 1]" 1
802 2 54 LEU HA 2 57 TRP H . . 5.500 3.620 3.580 3.692 . 0 0 "[ . 1]" 1
803 2 54 LEU HA 2 57 TRP HE3 . . 5.500 3.700 3.546 3.769 . 0 0 "[ . 1]" 1
804 2 54 LEU HA 2 58 ALA H . . 5.500 3.894 3.773 3.994 . 0 0 "[ . 1]" 1
805 2 54 LEU HB2 2 55 ALA H . . 5.500 2.635 2.605 2.701 . 0 0 "[ . 1]" 1
806 2 54 LEU MD1 2 55 ALA H . . 5.500 4.480 4.442 4.541 . 0 0 "[ . 1]" 1
807 2 54 LEU MD2 2 55 ALA H . . 5.500 4.840 4.830 4.858 . 0 0 "[ . 1]" 1
808 2 54 LEU MD2 2 57 TRP H . . 5.500 5.224 5.171 5.252 . 0 0 "[ . 1]" 1
809 2 54 LEU MD2 2 57 TRP HB2 . . 5.500 4.648 4.544 4.804 . 0 0 "[ . 1]" 1
810 2 54 LEU MD2 2 57 TRP HE3 . . 5.500 3.361 3.173 3.480 . 0 0 "[ . 1]" 1
811 2 54 LEU HG 2 55 ALA H . . 5.500 4.572 4.545 4.589 . 0 0 "[ . 1]" 1
812 2 55 ALA H 2 55 ALA HA . . 2.800 2.850 2.840 2.859 0.059 2 0 "[ . 1]" 1
813 2 55 ALA H 2 55 ALA MB . . 3.400 2.205 2.201 2.210 . 0 0 "[ . 1]" 1
814 2 55 ALA H 2 56 SER H . . 2.800 2.860 2.795 2.903 0.103 8 0 "[ . 1]" 1
815 2 55 ALA H 2 56 SER HB2 . . 5.500 5.067 4.985 5.206 . 0 0 "[ . 1]" 1
816 2 55 ALA H 2 57 TRP H . . 5.500 4.240 4.124 4.395 . 0 0 "[ . 1]" 1
817 2 55 ALA HA 2 56 SER H . . 3.400 3.620 3.599 3.631 0.231 5 0 "[ . 1]" 1
818 2 55 ALA HA 2 58 ALA H . . 5.500 3.754 3.661 3.838 . 0 0 "[ . 1]" 1
819 2 55 ALA HA 2 58 ALA MB . . 3.400 2.776 2.687 2.851 . 0 0 "[ . 1]" 1
820 2 55 ALA MB 2 56 SER H . . 3.400 2.502 2.450 2.593 . 0 0 "[ . 1]" 1
821 2 56 SER H 2 56 SER HA . . 2.800 2.887 2.882 2.892 0.092 9 0 "[ . 1]" 1
822 2 56 SER H 2 56 SER HB2 . . 3.400 2.438 2.399 2.506 . 0 0 "[ . 1]" 1
823 2 56 SER H 2 57 TRP H . . 2.800 2.728 2.684 2.751 . 0 0 "[ . 1]" 1
824 2 56 SER H 2 58 ALA H . . 5.500 4.284 4.178 4.351 . 0 0 "[ . 1]" 1
825 2 56 SER H 2 58 ALA MB . . 5.500 4.842 4.699 4.953 . 0 0 "[ . 1]" 1
826 2 56 SER H 2 59 THR MG . . 5.500 5.210 4.496 5.913 0.413 2 0 "[ . 1]" 1
827 2 56 SER HA 2 57 TRP H . . 5.500 3.574 3.512 3.609 . 0 0 "[ . 1]" 1
828 2 56 SER HA 2 59 THR H . . 5.500 3.696 3.491 3.947 . 0 0 "[ . 1]" 1
829 2 56 SER HA 2 59 THR MG . . 5.500 2.998 2.270 3.724 . 0 0 "[ . 1]" 1
830 2 56 SER HB2 2 57 TRP H . . 5.500 3.281 2.811 3.958 . 0 0 "[ . 1]" 1
831 2 57 TRP H 2 57 TRP HB2 . . 3.400 2.400 2.318 2.533 . 0 0 "[ . 1]" 1
832 2 57 TRP H 2 57 TRP HB3 . . 3.400 2.608 2.566 2.640 . 0 0 "[ . 1]" 1
833 2 57 TRP H 2 58 ALA H . . 2.800 2.659 2.472 2.789 . 0 0 "[ . 1]" 1
834 2 57 TRP H 2 58 ALA MB . . 5.500 4.242 4.096 4.351 . 0 0 "[ . 1]" 1
835 2 57 TRP H 2 59 THR H . . 5.500 4.146 4.018 4.324 . 0 0 "[ . 1]" 1
836 2 57 TRP HA 2 58 ALA H . . 5.500 3.588 3.579 3.602 . 0 0 "[ . 1]" 1
837 2 57 TRP HA 2 59 THR H . . 5.500 3.722 3.684 3.791 . 0 0 "[ . 1]" 1
838 2 57 TRP HA 2 60 GLN H . . 5.500 4.315 4.169 4.405 . 0 0 "[ . 1]" 1
839 2 57 TRP HA 2 60 GLN QE . . 5.500 3.007 2.791 3.209 . 0 0 "[ . 1]" 1
840 2 57 TRP HA 2 60 GLN HG2 . . 3.400 3.270 3.195 3.359 . 0 0 "[ . 1]" 1
841 2 57 TRP HB2 2 58 ALA H . . 5.500 3.850 3.802 3.897 . 0 0 "[ . 1]" 1
842 2 57 TRP HB3 2 58 ALA H . . 5.500 2.669 2.591 2.737 . 0 0 "[ . 1]" 1
843 2 57 TRP HD1 2 60 GLN QE . . 5.500 2.399 2.260 2.859 . 0 0 "[ . 1]" 1
844 2 57 TRP HE1 2 63 ALA HA . . 5.500 4.311 4.253 4.416 . 0 0 "[ . 1]" 1
845 2 57 TRP HE1 2 63 ALA MB . . 5.500 4.877 4.691 4.967 . 0 0 "[ . 1]" 1
846 2 57 TRP HE3 2 58 ALA H . . 5.500 4.267 4.139 4.466 . 0 0 "[ . 1]" 1
847 2 57 TRP HE3 2 58 ALA MB . . 5.500 4.362 4.237 4.565 . 0 0 "[ . 1]" 1
848 2 57 TRP HE3 2 63 ALA MB . . 5.500 2.981 2.837 3.146 . 0 0 "[ . 1]" 1
849 2 57 TRP HH2 2 63 ALA H . . 5.500 5.839 5.755 5.884 0.384 7 0 "[ . 1]" 1
850 2 57 TRP HH2 2 63 ALA HA . . 5.500 3.248 3.150 3.314 . 0 0 "[ . 1]" 1
851 2 57 TRP HH2 2 63 ALA MB . . 5.500 4.491 4.387 4.601 . 0 0 "[ . 1]" 1
852 2 57 TRP HH2 2 67 ALA MB . . 5.500 2.799 2.564 2.933 . 0 0 "[ . 1]" 1
853 2 57 TRP HH2 2 68 LEU H . . 5.500 2.557 2.515 2.581 . 0 0 "[ . 1]" 1
854 2 57 TRP HH2 2 68 LEU QB . . 3.400 2.273 2.215 2.334 . 0 0 "[ . 1]" 1
855 2 57 TRP HH2 2 68 LEU MD1 . . 5.500 3.773 3.412 5.006 . 0 0 "[ . 1]" 1
856 2 57 TRP HH2 2 68 LEU MD2 . . 5.500 4.157 3.663 4.335 . 0 0 "[ . 1]" 1
857 2 57 TRP HZ2 2 63 ALA H . . 5.500 5.372 5.147 5.447 . 0 0 "[ . 1]" 1
858 2 57 TRP HZ2 2 63 ALA HA . . 3.400 3.353 3.311 3.406 0.006 6 0 "[ . 1]" 1
859 2 57 TRP HZ2 2 63 ALA MB . . 5.500 4.786 4.713 4.848 . 0 0 "[ . 1]" 1
860 2 57 TRP HZ2 2 64 THR H . . 5.500 4.369 4.142 4.509 . 0 0 "[ . 1]" 1
861 2 57 TRP HZ2 2 67 ALA MB . . 2.800 2.698 2.521 2.862 0.062 5 0 "[ . 1]" 1
862 2 57 TRP HZ2 2 68 LEU H . . 5.500 4.238 4.077 4.432 . 0 0 "[ . 1]" 1
863 2 57 TRP HZ2 2 68 LEU QB . . 5.500 4.457 4.393 4.515 . 0 0 "[ . 1]" 1
864 2 57 TRP HZ2 2 68 LEU MD2 . . 5.500 5.184 4.809 5.347 . 0 0 "[ . 1]" 1
865 2 58 ALA H 2 58 ALA HA . . 2.800 2.830 2.823 2.840 0.040 5 0 "[ . 1]" 1
866 2 58 ALA H 2 58 ALA MB . . 3.400 2.181 2.172 2.188 . 0 0 "[ . 1]" 1
867 2 58 ALA H 2 59 THR H . . 2.800 2.959 2.912 3.001 0.201 1 0 "[ . 1]" 1
868 2 58 ALA H 2 60 GLN H . . 5.500 4.638 4.569 4.691 . 0 0 "[ . 1]" 1
869 2 58 ALA HA 2 59 THR H . . 3.400 3.443 3.425 3.459 0.059 2 0 "[ . 1]" 1
870 2 58 ALA HA 2 60 GLN H . . 3.400 3.452 3.387 3.518 0.118 4 0 "[ . 1]" 1
871 2 58 ALA HA 2 63 ALA MB . . 2.800 2.263 2.210 2.305 . 0 0 "[ . 1]" 1
872 2 58 ALA MB 2 59 THR H . . 3.400 3.250 3.223 3.288 . 0 0 "[ . 1]" 1
873 2 58 ALA MB 2 60 GLN H . . 5.500 4.436 4.401 4.470 . 0 0 "[ . 1]" 1
874 2 58 ALA MB 2 63 ALA MB . . 5.500 3.296 3.210 3.367 . 0 0 "[ . 1]" 1
875 2 59 THR H 2 59 THR HA . . 2.800 2.899 2.889 2.911 0.111 1 0 "[ . 1]" 1
876 2 59 THR H 2 59 THR HB . . 3.400 2.966 2.237 3.676 0.276 1 0 "[ . 1]" 1
877 2 59 THR H 2 60 GLN H . . 2.800 2.692 2.676 2.712 . 0 0 "[ . 1]" 1
878 2 59 THR H 2 60 GLN HA . . 5.500 5.369 5.351 5.384 . 0 0 "[ . 1]" 1
879 2 59 THR H 2 60 GLN HG2 . . 5.500 3.792 3.692 3.900 . 0 0 "[ . 1]" 1
880 2 59 THR HA 2 60 GLN H . . 3.400 3.412 3.397 3.425 0.025 5 0 "[ . 1]" 1
881 2 59 THR HB 2 60 GLN H . . 5.500 4.174 4.040 4.277 . 0 0 "[ . 1]" 1
882 2 59 THR MG 2 60 GLN H . . 5.500 3.566 2.917 4.226 . 0 0 "[ . 1]" 1
883 2 60 GLN H 2 60 GLN HA . . 2.800 2.988 2.984 2.990 0.190 5 0 "[ . 1]" 1
884 2 60 GLN H 2 60 GLN QE . . 5.500 4.480 4.421 4.538 . 0 0 "[ . 1]" 1
885 2 60 GLN H 2 60 GLN HG2 . . 5.500 2.373 2.343 2.401 . 0 0 "[ . 1]" 1
886 2 60 GLN H 2 60 GLN HG3 . . 5.500 2.835 2.776 2.926 . 0 0 "[ . 1]" 1
887 2 60 GLN H 2 61 ASP H . . 5.500 4.492 4.476 4.500 . 0 0 "[ . 1]" 1
888 2 60 GLN H 2 63 ALA MB . . 5.500 3.456 3.353 3.567 . 0 0 "[ . 1]" 1
889 2 60 GLN HA 2 61 ASP H . . 2.800 2.249 2.229 2.273 . 0 0 "[ . 1]" 1
890 2 60 GLN HA 2 62 SER H . . 5.500 4.092 4.050 4.142 . 0 0 "[ . 1]" 1
891 2 60 GLN HB2 2 61 ASP H . . 5.500 2.695 2.627 2.754 . 0 0 "[ . 1]" 1
892 2 60 GLN HB2 2 62 SER H . . 5.500 2.758 2.689 2.849 . 0 0 "[ . 1]" 1
893 2 60 GLN HB2 2 63 ALA H . . 5.500 4.687 4.571 4.805 . 0 0 "[ . 1]" 1
894 2 60 GLN HB2 2 63 ALA MB . . 5.500 5.207 5.100 5.324 . 0 0 "[ . 1]" 1
895 2 60 GLN HB3 2 61 ASP H . . 5.500 3.842 3.820 3.864 . 0 0 "[ . 1]" 1
896 2 60 GLN HB3 2 62 SER H . . 5.500 4.380 4.338 4.428 . 0 0 "[ . 1]" 1
897 2 60 GLN HB3 2 63 ALA MB . . 5.500 5.589 5.441 5.725 0.225 3 0 "[ . 1]" 1
898 2 60 GLN HG2 2 63 ALA MB . . 5.500 4.148 3.972 4.325 . 0 0 "[ . 1]" 1
899 2 60 GLN HG3 2 61 ASP H . . 5.500 4.190 4.107 4.257 . 0 0 "[ . 1]" 1
900 2 60 GLN HG3 2 63 ALA MB . . 5.500 3.359 3.183 3.522 . 0 0 "[ . 1]" 1
901 2 61 ASP H 2 62 SER H . . 5.500 2.819 2.792 2.848 . 0 0 "[ . 1]" 1
902 2 61 ASP H 2 63 ALA H . . 5.500 4.523 4.490 4.563 . 0 0 "[ . 1]" 1
903 2 61 ASP HA 2 62 SER H . . 3.400 3.441 3.390 3.472 0.072 2 0 "[ . 1]" 1
904 2 61 ASP QB 2 62 SER H . . 5.500 3.145 3.097 3.281 . 0 0 "[ . 1]" 1
905 2 61 ASP QB 2 63 ALA H . . 5.500 4.585 4.523 4.633 . 0 0 "[ . 1]" 1
906 2 61 ASP QB 2 64 THR HB . . 6.500 7.327 7.083 7.610 1.110 4 10 [***+*****-] 1
907 2 61 ASP QB 2 64 THR MG . . 5.500 4.267 4.121 4.474 . 0 0 "[ . 1]" 1
908 2 62 SER H 2 62 SER HB2 . . 3.400 2.384 2.228 2.640 . 0 0 "[ . 1]" 1
909 2 62 SER H 2 63 ALA H . . 2.800 2.766 2.673 2.833 0.033 9 0 "[ . 1]" 1
910 2 62 SER H 2 63 ALA MB . . 5.500 4.267 4.181 4.329 . 0 0 "[ . 1]" 1
911 2 62 SER HA 2 63 ALA H . . 3.400 3.458 3.434 3.483 0.083 3 0 "[ . 1]" 1
912 2 62 SER HA 2 64 THR MG . . 5.500 3.542 3.215 3.840 . 0 0 "[ . 1]" 1
913 2 63 ALA H 2 63 ALA HA . . 2.800 2.829 2.810 2.838 0.038 7 0 "[ . 1]" 1
914 2 63 ALA H 2 63 ALA MB . . 3.400 2.160 2.152 2.176 . 0 0 "[ . 1]" 1
915 2 63 ALA H 2 64 THR H . . 5.500 3.425 3.366 3.525 . 0 0 "[ . 1]" 1
916 2 63 ALA H 2 64 THR MG . . 5.500 4.176 4.035 4.390 . 0 0 "[ . 1]" 1
917 2 63 ALA HA 2 64 THR H . . 2.800 2.992 2.916 3.034 0.234 9 0 "[ . 1]" 1
918 2 63 ALA HA 2 67 ALA MB . . 5.500 4.085 3.989 4.183 . 0 0 "[ . 1]" 1
919 2 63 ALA MB 2 64 THR H . . 5.500 3.738 3.719 3.781 . 0 0 "[ . 1]" 1
920 2 63 ALA MB 2 64 THR MG . . 5.500 4.368 4.232 4.510 . 0 0 "[ . 1]" 1
921 2 63 ALA MB 2 67 ALA MB . . 5.500 5.078 5.007 5.140 . 0 0 "[ . 1]" 1
922 2 64 THR H 2 65 LEU H . . 5.500 4.671 4.646 4.697 . 0 0 "[ . 1]" 1
923 2 64 THR H 2 67 ALA H . . 5.500 4.072 3.998 4.143 . 0 0 "[ . 1]" 1
924 2 64 THR H 2 67 ALA MB . . 3.400 2.921 2.843 2.996 . 0 0 "[ . 1]" 1
925 2 64 THR HA 2 65 LEU H . . 2.800 2.252 2.235 2.292 . 0 0 "[ . 1]" 1
926 2 64 THR HA 2 66 ASP H . . 5.500 4.092 4.005 4.280 . 0 0 "[ . 1]" 1
927 2 64 THR HA 2 67 ALA H . . 5.500 4.580 4.529 4.653 . 0 0 "[ . 1]" 1
928 2 64 THR HB 2 66 ASP H . . 3.400 2.737 2.546 2.948 . 0 0 "[ . 1]" 1
929 2 64 THR HB 2 67 ALA H . . 5.500 3.466 3.268 3.721 . 0 0 "[ . 1]" 1
930 2 64 THR MG 2 65 LEU H . . 5.500 3.958 3.794 4.144 . 0 0 "[ . 1]" 1
931 2 64 THR MG 2 66 ASP H . . 5.500 4.328 4.199 4.480 . 0 0 "[ . 1]" 1
932 2 64 THR MG 2 66 ASP HB2 . . 5.500 4.237 3.807 4.997 . 0 0 "[ . 1]" 1
933 2 64 THR MG 2 67 ALA H . . 5.500 4.066 3.943 4.250 . 0 0 "[ . 1]" 1
934 2 64 THR MG 2 67 ALA MB . . 5.500 3.635 3.369 3.775 . 0 0 "[ . 1]" 1
935 2 65 LEU H 2 65 LEU HA . . 2.800 2.849 2.827 2.873 0.073 7 0 "[ . 1]" 1
936 2 65 LEU H 2 65 LEU HB2 . . 3.400 2.105 2.080 2.164 . 0 0 "[ . 1]" 1
937 2 65 LEU H 2 65 LEU HB3 . . 3.400 3.221 3.011 3.482 0.082 9 0 "[ . 1]" 1
938 2 65 LEU H 2 65 LEU MD1 . . 5.500 4.140 3.611 4.333 . 0 0 "[ . 1]" 1
939 2 65 LEU H 2 65 LEU MD2 . . 5.500 3.588 2.617 4.338 . 0 0 "[ . 1]" 1
940 2 65 LEU H 2 65 LEU HG . . 5.500 4.052 3.054 4.448 . 0 0 "[ . 1]" 1
941 2 65 LEU H 2 66 ASP H . . 2.800 2.761 2.651 2.859 0.059 8 0 "[ . 1]" 1
942 2 65 LEU H 2 66 ASP HB2 . . 5.500 4.862 4.491 5.024 . 0 0 "[ . 1]" 1
943 2 65 LEU H 2 68 LEU H . . 5.500 4.837 4.787 4.877 . 0 0 "[ . 1]" 1
944 2 65 LEU HA 2 66 ASP H . . 5.500 3.567 3.549 3.582 . 0 0 "[ . 1]" 1
945 2 65 LEU HA 2 67 ALA H . . 5.500 4.389 4.306 4.447 . 0 0 "[ . 1]" 1
946 2 65 LEU HA 2 68 LEU H . . 3.400 3.229 3.181 3.303 . 0 0 "[ . 1]" 1
947 2 65 LEU HA 2 69 LEU H . . 5.500 3.825 3.698 3.954 . 0 0 "[ . 1]" 1
948 2 65 LEU HB2 2 66 ASP H . . 5.500 3.377 2.980 3.539 . 0 0 "[ . 1]" 1
949 2 65 LEU HB3 2 66 ASP H . . 5.500 3.047 2.874 3.300 . 0 0 "[ . 1]" 1
950 2 65 LEU HB3 2 67 ALA H . . 5.500 5.446 5.343 5.545 0.045 9 0 "[ . 1]" 1
951 2 65 LEU MD1 2 66 ASP H . . 5.500 4.583 4.210 4.854 . 0 0 "[ . 1]" 1
952 2 65 LEU MD2 2 66 ASP H . . 5.500 4.610 4.292 4.814 . 0 0 "[ . 1]" 1
953 2 65 LEU MD2 2 68 LEU H . . 5.500 4.610 4.272 4.808 . 0 0 "[ . 1]" 1
954 2 65 LEU MD2 2 68 LEU QB . . 5.500 2.945 2.423 3.453 . 0 0 "[ . 1]" 1
955 2 65 LEU MD2 2 68 LEU MD1 . . 3.400 2.603 2.381 2.963 . 0 0 "[ . 1]" 1
956 2 65 LEU MD2 2 69 LEU H . . 5.500 4.472 3.294 5.414 . 0 0 "[ . 1]" 1
957 2 65 LEU MD2 2 69 LEU HG . . 5.500 3.787 2.190 5.116 . 0 0 "[ . 1]" 1
958 2 65 LEU HG 2 66 ASP H . . 5.500 5.219 4.948 5.341 . 0 0 "[ . 1]" 1
959 2 66 ASP H 2 66 ASP HA . . 2.800 2.823 2.799 2.839 0.039 4 0 "[ . 1]" 1
960 2 66 ASP H 2 66 ASP HB2 . . 3.400 2.418 2.073 2.592 . 0 0 "[ . 1]" 1
961 2 66 ASP H 2 67 ALA H . . 2.800 2.920 2.887 2.987 0.187 5 0 "[ . 1]" 1
962 2 66 ASP H 2 67 ALA MB . . 5.500 4.547 4.516 4.605 . 0 0 "[ . 1]" 1
963 2 66 ASP HA 2 67 ALA H . . 5.500 3.619 3.607 3.631 . 0 0 "[ . 1]" 1
964 2 66 ASP HA 2 68 LEU H . . 5.500 4.555 4.482 4.662 . 0 0 "[ . 1]" 1
965 2 66 ASP HA 2 69 LEU H . . 5.500 3.698 3.544 3.906 . 0 0 "[ . 1]" 1
966 2 66 ASP HA 2 69 LEU HB2 . . 5.500 2.750 2.623 2.994 . 0 0 "[ . 1]" 1
967 2 66 ASP HA 2 69 LEU HG . . 5.500 3.958 3.672 4.136 . 0 0 "[ . 1]" 1
968 2 66 ASP HA 2 70 ALA H . . 5.500 4.066 3.892 4.288 . 0 0 "[ . 1]" 1
969 2 66 ASP HB2 2 67 ALA H . . 3.400 3.004 2.616 3.934 0.534 5 1 "[ + 1]" 1
970 2 67 ALA H 2 67 ALA HA . . 2.800 2.887 2.874 2.899 0.099 9 0 "[ . 1]" 1
971 2 67 ALA H 2 67 ALA MB . . 3.400 2.210 2.202 2.221 . 0 0 "[ . 1]" 1
972 2 67 ALA H 2 68 LEU H . . 2.800 2.662 2.634 2.702 . 0 0 "[ . 1]" 1
973 2 67 ALA H 2 69 LEU H . . 5.500 4.313 4.224 4.399 . 0 0 "[ . 1]" 1
974 2 67 ALA HA 2 68 LEU H . . 3.400 3.584 3.577 3.596 0.196 9 0 "[ . 1]" 1
975 2 67 ALA HA 2 70 ALA H . . 3.400 3.461 3.400 3.542 0.142 3 0 "[ . 1]" 1
976 2 67 ALA HA 2 70 ALA MB . . 2.800 2.551 2.421 2.637 . 0 0 "[ . 1]" 1
977 2 67 ALA HA 2 71 ALA H . . 5.500 4.155 3.983 4.422 . 0 0 "[ . 1]" 1
978 2 67 ALA MB 2 68 LEU H . . 3.400 2.622 2.579 2.665 . 0 0 "[ . 1]" 1
979 2 67 ALA MB 2 68 LEU MD2 . . 5.500 5.278 4.947 5.434 . 0 0 "[ . 1]" 1
980 2 68 LEU H 2 68 LEU HA . . 2.800 2.855 2.845 2.860 0.060 2 0 "[ . 1]" 1
981 2 68 LEU H 2 68 LEU QB . . 3.400 2.092 2.058 2.173 . 0 0 "[ . 1]" 1
982 2 68 LEU H 2 68 LEU MD1 . . 5.500 4.143 4.104 4.218 . 0 0 "[ . 1]" 1
983 2 68 LEU H 2 68 LEU MD2 . . 5.500 4.295 4.141 4.341 . 0 0 "[ . 1]" 1
984 2 68 LEU H 2 68 LEU HG . . 5.500 4.091 3.954 4.495 . 0 0 "[ . 1]" 1
985 2 68 LEU H 2 69 LEU H . . 2.800 2.761 2.726 2.780 . 0 0 "[ . 1]" 1
986 2 68 LEU H 2 69 LEU MD2 . . 5.500 5.734 5.636 5.841 0.341 7 0 "[ . 1]" 1
987 2 68 LEU H 2 69 LEU HG . . 5.500 4.688 4.611 4.763 . 0 0 "[ . 1]" 1
988 2 68 LEU H 2 70 ALA H . . 5.500 4.240 4.206 4.279 . 0 0 "[ . 1]" 1
989 2 68 LEU H 2 71 ALA MB . . 5.500 4.956 4.817 5.109 . 0 0 "[ . 1]" 1
990 2 68 LEU HA 2 71 ALA H . . 3.400 3.676 3.566 3.778 0.378 4 0 "[ . 1]" 1
991 2 68 LEU HA 2 71 ALA MB . . 3.400 2.933 2.805 3.117 . 0 0 "[ . 1]" 1
992 2 68 LEU QB 2 69 LEU H . . 5.000 2.474 2.355 2.545 . 0 0 "[ . 1]" 1
993 2 68 LEU MD1 2 68 LEU MD2 . . 2.800 2.068 2.053 2.092 . 0 0 "[ . 1]" 1
994 2 68 LEU MD1 2 69 LEU H . . 5.500 4.231 3.176 4.566 . 0 0 "[ . 1]" 1
995 2 68 LEU MD1 2 71 ALA MB . . 5.500 5.227 4.471 5.540 0.040 5 0 "[ . 1]" 1
996 2 68 LEU MD2 2 69 LEU H . . 5.500 4.056 3.876 4.335 . 0 0 "[ . 1]" 1
997 2 68 LEU MD2 2 71 ALA MB . . 5.500 3.249 3.065 3.418 . 0 0 "[ . 1]" 1
998 2 68 LEU MD2 2 72 LEU H . . 5.500 3.719 3.523 3.875 . 0 0 "[ . 1]" 1
999 2 68 LEU HG 2 69 LEU H . . 5.500 4.993 4.818 5.078 . 0 0 "[ . 1]" 1
1000 2 69 LEU H 2 69 LEU HA . . 2.800 2.848 2.830 2.857 0.057 7 0 "[ . 1]" 1
1001 2 69 LEU H 2 69 LEU HB2 . . 3.400 2.379 2.365 2.402 . 0 0 "[ . 1]" 1
1002 2 69 LEU H 2 69 LEU MD1 . . 3.400 3.493 3.401 3.554 0.154 2 0 "[ . 1]" 1
1003 2 69 LEU H 2 69 LEU MD2 . . 5.500 3.549 3.480 3.627 . 0 0 "[ . 1]" 1
1004 2 69 LEU H 2 69 LEU HG . . 3.400 2.354 2.288 2.395 . 0 0 "[ . 1]" 1
1005 2 69 LEU H 2 70 ALA H . . 2.800 2.855 2.832 2.888 0.088 3 0 "[ . 1]" 1
1006 2 69 LEU H 2 71 ALA H . . 5.500 4.350 4.271 4.412 . 0 0 "[ . 1]" 1
1007 2 69 LEU H 2 81 VAL MG1 . . 5.500 5.916 5.831 6.031 0.531 4 1 "[ +. 1]" 1
1008 2 69 LEU HA 2 70 ALA H . . 3.400 3.612 3.599 3.624 0.224 8 0 "[ . 1]" 1
1009 2 69 LEU HA 2 72 LEU H . . 3.400 3.462 3.325 3.564 0.164 3 0 "[ . 1]" 1
1010 2 69 LEU HA 2 72 LEU HB2 . . 5.500 2.451 2.301 2.692 . 0 0 "[ . 1]" 1
1011 2 69 LEU HA 2 72 LEU HB3 . . 5.500 4.010 3.834 4.299 . 0 0 "[ . 1]" 1
1012 2 69 LEU HA 2 73 ARG H . . 5.500 4.226 4.007 4.452 . 0 0 "[ . 1]" 1
1013 2 69 LEU HB2 2 70 ALA H . . 3.400 2.563 2.488 2.632 . 0 0 "[ . 1]" 1
1014 2 69 LEU HB2 2 81 VAL MG1 . . 5.500 5.127 5.018 5.203 . 0 0 "[ . 1]" 1
1015 2 69 LEU HB3 2 81 VAL MG1 . . 5.500 3.847 3.696 3.947 . 0 0 "[ . 1]" 1
1016 2 69 LEU MD1 2 70 ALA H . . 5.500 4.449 4.353 4.529 . 0 0 "[ . 1]" 1
1017 2 69 LEU MD2 2 70 ALA H . . 5.500 4.777 4.747 4.804 . 0 0 "[ . 1]" 1
1018 2 69 LEU MD2 2 81 VAL HA . . 3.400 3.218 3.126 3.296 . 0 0 "[ . 1]" 1
1019 2 69 LEU MD2 2 81 VAL MG2 . . 5.500 2.126 2.062 2.262 . 0 0 "[ . 1]" 1
1020 2 69 LEU MD2 2 84 LEU HB2 . . 5.500 4.427 4.268 4.597 . 0 0 "[ . 1]" 1
1021 2 69 LEU MD2 2 84 LEU HB3 . . 5.500 5.045 4.875 5.247 . 0 0 "[ . 1]" 1
1022 2 69 LEU MD2 2 85 CYS H . . 5.500 5.311 4.952 5.578 0.078 5 0 "[ . 1]" 1
1023 2 69 LEU HG 2 70 ALA H . . 5.500 4.546 4.493 4.579 . 0 0 "[ . 1]" 1
1024 2 70 ALA H 2 70 ALA HA . . 2.800 2.825 2.809 2.850 0.050 1 0 "[ . 1]" 1
1025 2 70 ALA H 2 70 ALA MB . . 3.400 2.210 2.185 2.219 . 0 0 "[ . 1]" 1
1026 2 70 ALA H 2 71 ALA H . . 2.800 2.888 2.848 2.922 0.122 3 0 "[ . 1]" 1
1027 2 70 ALA H 2 71 ALA MB . . 5.500 4.507 4.459 4.550 . 0 0 "[ . 1]" 1
1028 2 70 ALA HA 2 71 ALA H . . 5.500 3.602 3.569 3.618 . 0 0 "[ . 1]" 1
1029 2 70 ALA HA 2 73 ARG H . . 5.500 3.627 3.464 3.747 . 0 0 "[ . 1]" 1
1030 2 70 ALA HA 2 73 ARG HB2 . . 3.400 3.119 2.643 3.534 0.134 4 0 "[ . 1]" 1
1031 2 70 ALA HA 2 74 ARG H . . 5.500 4.621 4.201 4.943 . 0 0 "[ . 1]" 1
1032 2 70 ALA MB 2 71 ALA H . . 2.800 2.591 2.486 2.805 0.005 5 0 "[ . 1]" 1
1033 2 70 ALA MB 2 72 LEU H . . 5.500 4.721 4.659 4.790 . 0 0 "[ . 1]" 1
1034 2 70 ALA MB 2 74 ARG H . . 5.500 5.032 4.683 5.328 . 0 0 "[ . 1]" 1
1035 2 71 ALA H 2 71 ALA HA . . 2.800 2.875 2.838 2.926 0.126 5 0 "[ . 1]" 1
1036 2 71 ALA H 2 71 ALA MB . . 3.400 2.203 2.194 2.226 . 0 0 "[ . 1]" 1
1037 2 71 ALA H 2 72 LEU H . . 2.800 2.768 2.572 2.878 0.078 3 0 "[ . 1]" 1
1038 2 71 ALA HA 2 72 LEU H . . 5.500 3.616 3.611 3.622 . 0 0 "[ . 1]" 1
1039 2 71 ALA HA 2 73 ARG H . . 5.500 4.245 4.101 4.356 . 0 0 "[ . 1]" 1
1040 2 71 ALA HA 2 74 ARG H . . 3.400 3.371 3.230 3.522 0.122 3 0 "[ . 1]" 1
1041 2 71 ALA HA 2 74 ARG HB2 . . 5.500 2.883 2.533 3.251 . 0 0 "[ . 1]" 1
1042 2 71 ALA HA 2 74 ARG HB3 . . 5.500 4.549 4.077 4.940 . 0 0 "[ . 1]" 1
1043 2 71 ALA HA 2 75 ILE H . . 5.500 4.485 4.287 4.694 . 0 0 "[ . 1]" 1
1044 2 71 ALA MB 2 72 LEU H . . 3.400 2.573 2.498 2.674 . 0 0 "[ . 1]" 1
1045 2 71 ALA MB 2 72 LEU MD2 . . 5.500 4.640 4.276 5.222 . 0 0 "[ . 1]" 1
1046 2 71 ALA MB 2 72 LEU HG . . 5.500 3.852 3.738 4.163 . 0 0 "[ . 1]" 1
1047 2 71 ALA MB 2 73 ARG H . . 5.500 4.556 4.508 4.583 . 0 0 "[ . 1]" 1
1048 2 71 ALA MB 2 75 ILE H . . 5.500 4.904 4.779 5.117 . 0 0 "[ . 1]" 1
1049 2 71 ALA MB 2 75 ILE MD . . 5.500 4.285 4.113 4.474 . 0 0 "[ . 1]" 1
1050 2 71 ALA MB 2 75 ILE MG . . 5.500 3.819 3.699 4.021 . 0 0 "[ . 1]" 1
1051 2 72 LEU H 2 72 LEU HA . . 2.800 2.835 2.823 2.849 0.049 3 0 "[ . 1]" 1
1052 2 72 LEU H 2 72 LEU HB2 . . 3.400 2.324 2.264 2.401 . 0 0 "[ . 1]" 1
1053 2 72 LEU H 2 72 LEU HB3 . . 3.400 3.574 3.545 3.608 0.208 3 0 "[ . 1]" 1
1054 2 72 LEU H 2 72 LEU MD1 . . 5.500 3.469 2.926 3.683 . 0 0 "[ . 1]" 1
1055 2 72 LEU H 2 72 LEU MD2 . . 5.500 3.903 3.689 4.262 . 0 0 "[ . 1]" 1
1056 2 72 LEU H 2 72 LEU HG . . 3.400 2.710 2.566 3.045 . 0 0 "[ . 1]" 1
1057 2 72 LEU H 2 73 ARG H . . 5.500 2.869 2.842 2.906 . 0 0 "[ . 1]" 1
1058 2 72 LEU H 2 81 VAL MG2 . . 5.500 4.496 4.336 4.622 . 0 0 "[ . 1]" 1
1059 2 72 LEU HA 2 73 ARG H . . 5.500 3.564 3.550 3.578 . 0 0 "[ . 1]" 1
1060 2 72 LEU HA 2 74 ARG H . . 5.500 4.611 4.492 4.778 . 0 0 "[ . 1]" 1
1061 2 72 LEU HA 2 75 ILE H . . 3.400 3.680 3.613 3.810 0.410 10 0 "[ . 1]" 1
1062 2 72 LEU HA 2 75 ILE HB . . 5.500 5.068 5.024 5.113 . 0 0 "[ . 1]" 1
1063 2 72 LEU HA 2 75 ILE MD . . 3.400 2.714 2.524 2.834 . 0 0 "[ . 1]" 1
1064 2 72 LEU HA 2 75 ILE HG12 . . 2.800 2.178 2.155 2.217 . 0 0 "[ . 1]" 1
1065 2 72 LEU HA 2 75 ILE HG13 . . 3.400 3.006 2.838 3.102 . 0 0 "[ . 1]" 1
1066 2 72 LEU HB2 2 73 ARG H . . 3.400 2.923 2.816 3.034 . 0 0 "[ . 1]" 1
1067 2 72 LEU HB2 2 81 VAL MG1 . . 5.500 4.718 4.516 4.837 . 0 0 "[ . 1]" 1
1068 2 72 LEU HB2 2 81 VAL MG2 . . 5.500 2.625 2.421 2.746 . 0 0 "[ . 1]" 1
1069 2 72 LEU HB3 2 73 ARG H . . 5.500 3.549 3.425 3.712 . 0 0 "[ . 1]" 1
1070 2 72 LEU HB3 2 81 VAL MG2 . . 5.500 2.233 2.164 2.395 . 0 0 "[ . 1]" 1
1071 2 72 LEU MD1 2 73 ARG H . . 5.500 4.743 4.669 4.876 . 0 0 "[ . 1]" 1
1072 2 72 LEU MD1 2 81 VAL H . . 5.500 3.528 3.081 4.287 . 0 0 "[ . 1]" 1
1073 2 72 LEU MD1 2 81 VAL MG1 . . 5.500 3.822 3.663 3.989 . 0 0 "[ . 1]" 1
1074 2 72 LEU MD1 2 81 VAL MG2 . . 5.500 2.058 1.995 2.141 . 0 0 "[ . 1]" 1
1075 2 72 LEU MD2 2 73 ARG H . . 5.500 4.884 4.798 5.032 . 0 0 "[ . 1]" 1
1076 2 72 LEU MD2 2 75 ILE MD . . 5.500 2.295 2.127 2.783 . 0 0 "[ . 1]" 1
1077 2 72 LEU MD2 2 77 ARG H . . 5.500 4.175 4.054 4.278 . 0 0 "[ . 1]" 1
1078 2 72 LEU MD2 2 80 LEU HB3 . . 5.500 2.904 2.252 3.482 . 0 0 "[ . 1]" 1
1079 2 72 LEU MD2 2 81 VAL MG2 . . 5.500 2.994 2.271 3.505 . 0 0 "[ . 1]" 1
1080 2 73 ARG H 2 73 ARG HA . . 2.800 2.888 2.866 2.908 0.108 3 0 "[ . 1]" 1
1081 2 73 ARG H 2 73 ARG HD2 . . 5.500 4.735 3.432 5.246 . 0 0 "[ . 1]" 1
1082 2 73 ARG H 2 73 ARG HG3 . . 5.500 3.333 2.302 4.518 . 0 0 "[ . 1]" 1
1083 2 73 ARG H 2 74 ARG H . . 5.500 2.810 2.750 2.850 . 0 0 "[ . 1]" 1
1084 2 73 ARG H 2 75 ILE H . . 5.500 4.276 4.203 4.338 . 0 0 "[ . 1]" 1
1085 2 73 ARG H 2 78 ALA MB . . 5.500 5.391 5.096 5.578 0.078 9 0 "[ . 1]" 1
1086 2 73 ARG H 2 81 VAL MG2 . . 5.500 4.088 3.859 4.293 . 0 0 "[ . 1]" 1
1087 2 73 ARG HA 2 74 ARG H . . 5.500 3.595 3.579 3.610 . 0 0 "[ . 1]" 1
1088 2 73 ARG HA 2 75 ILE H . . 5.500 4.348 4.154 4.519 . 0 0 "[ . 1]" 1
1089 2 73 ARG HA 2 76 GLN H . . 5.500 3.716 3.606 3.834 . 0 0 "[ . 1]" 1
1090 2 73 ARG HA 2 77 ARG H . . 3.400 3.645 3.471 3.722 0.322 8 0 "[ . 1]" 1
1091 2 73 ARG HA 2 78 ALA H . . 5.500 4.055 3.898 4.179 . 0 0 "[ . 1]" 1
1092 2 73 ARG HG2 2 81 VAL MG2 . . 5.500 3.799 3.078 5.521 0.021 6 0 "[ . 1]" 1
1093 2 73 ARG HG3 2 74 ARG HD2 . . 5.000 5.127 4.680 5.481 0.481 3 0 "[ . 1]" 1
1094 2 73 ARG HG3 2 81 VAL MG2 . . 5.500 4.634 3.821 5.570 0.070 1 0 "[ . 1]" 1
1095 2 74 ARG H 2 74 ARG HA . . 2.800 2.885 2.864 2.908 0.108 7 0 "[ . 1]" 1
1096 2 74 ARG H 2 74 ARG HB2 . . 3.400 2.372 2.249 2.520 . 0 0 "[ . 1]" 1
1097 2 74 ARG H 2 74 ARG HD2 . . 5.500 2.438 2.319 2.582 . 0 0 "[ . 1]" 1
1098 2 74 ARG H 2 74 ARG HG2 . . 5.500 4.195 4.146 4.259 . 0 0 "[ . 1]" 1
1099 2 74 ARG H 2 74 ARG HG3 . . 5.500 3.821 3.347 4.046 . 0 0 "[ . 1]" 1
1100 2 74 ARG H 2 75 ILE H . . 2.800 2.773 2.678 2.866 0.066 1 0 "[ . 1]" 1
1101 2 74 ARG H 2 75 ILE HG12 . . 5.500 4.397 4.192 4.507 . 0 0 "[ . 1]" 1
1102 2 74 ARG H 2 75 ILE MG . . 5.500 4.238 4.162 4.375 . 0 0 "[ . 1]" 1
1103 2 74 ARG HA 2 75 ILE H . . 5.500 3.525 3.504 3.566 . 0 0 "[ . 1]" 1
1104 2 74 ARG HA 2 76 GLN H . . 5.500 3.761 3.694 3.862 . 0 0 "[ . 1]" 1
1105 2 74 ARG HB2 2 75 ILE H . . 5.500 3.001 2.832 3.221 . 0 0 "[ . 1]" 1
1106 2 74 ARG HB3 2 75 ILE H . . 5.500 3.525 3.374 3.691 . 0 0 "[ . 1]" 1
1107 2 75 ILE H 2 75 ILE HB . . 3.400 3.699 3.667 3.720 0.320 6 0 "[ . 1]" 1
1108 2 75 ILE H 2 75 ILE MD . . 5.500 3.897 3.795 3.975 . 0 0 "[ . 1]" 1
1109 2 75 ILE H 2 75 ILE HG12 . . 5.500 2.284 2.148 2.394 . 0 0 "[ . 1]" 1
1110 2 75 ILE H 2 75 ILE MG . . 3.400 2.353 2.269 2.436 . 0 0 "[ . 1]" 1
1111 2 75 ILE H 2 76 GLN H . . 2.800 2.748 2.688 2.827 0.027 2 0 "[ . 1]" 1
1112 2 75 ILE H 2 76 GLN HG2 . . 5.500 5.108 5.002 5.154 . 0 0 "[ . 1]" 1
1113 2 75 ILE H 2 77 ARG H . . 5.500 3.956 3.825 4.088 . 0 0 "[ . 1]" 1
1114 2 75 ILE HA 2 77 ARG H . . 5.500 4.928 4.806 5.022 . 0 0 "[ . 1]" 1
1115 2 75 ILE HB 2 76 GLN H . . 5.500 4.477 4.458 4.507 . 0 0 "[ . 1]" 1
1116 2 75 ILE HB 2 77 ARG H . . 5.500 4.803 4.653 4.878 . 0 0 "[ . 1]" 1
1117 2 75 ILE MD 2 77 ARG H . . 5.500 4.129 3.973 4.204 . 0 0 "[ . 1]" 1
1118 2 75 ILE MD 2 77 ARG HG2 . . 5.500 2.736 2.428 2.969 . 0 0 "[ . 1]" 1
1119 2 75 ILE HG12 2 76 GLN H . . 5.500 4.152 3.991 4.382 . 0 0 "[ . 1]" 1
1120 2 75 ILE HG13 2 77 ARG H . . 3.400 2.668 2.506 2.752 . 0 0 "[ . 1]" 1
1121 2 75 ILE HG13 2 77 ARG HG2 . . 5.500 2.343 2.215 2.467 . 0 0 "[ . 1]" 1
1122 2 75 ILE MG 2 76 GLN H . . 5.500 4.308 4.283 4.330 . 0 0 "[ . 1]" 1
1123 2 75 ILE MG 2 77 ARG H . . 5.500 5.064 4.985 5.135 . 0 0 "[ . 1]" 1
1124 2 76 GLN H 2 76 GLN HA . . 2.800 2.247 2.240 2.257 . 0 0 "[ . 1]" 1
1125 2 76 GLN H 2 76 GLN HB2 . . 3.400 3.505 3.465 3.546 0.146 2 0 "[ . 1]" 1
1126 2 76 GLN H 2 76 GLN HG2 . . 5.500 2.730 2.661 2.785 . 0 0 "[ . 1]" 1
1127 2 76 GLN H 2 77 ARG H . . 2.800 2.861 2.836 2.890 0.090 10 0 "[ . 1]" 1
1128 2 76 GLN H 2 77 ARG HG2 . . 5.500 4.759 4.585 4.840 . 0 0 "[ . 1]" 1
1129 2 76 GLN HA 2 77 ARG H . . 2.800 2.701 2.623 2.813 0.013 3 0 "[ . 1]" 1
1130 2 76 GLN HA 2 78 ALA H . . 5.500 3.286 3.120 3.374 . 0 0 "[ . 1]" 1
1131 2 76 GLN HB2 2 77 ARG H . . 5.500 4.413 4.351 4.454 . 0 0 "[ . 1]" 1
1132 2 77 ARG H 2 77 ARG HB2 . . 3.400 2.597 2.544 2.629 . 0 0 "[ . 1]" 1
1133 2 77 ARG H 2 77 ARG HD2 . . 5.500 4.741 4.186 5.153 . 0 0 "[ . 1]" 1
1134 2 77 ARG H 2 77 ARG HG2 . . 3.400 3.166 3.083 3.220 . 0 0 "[ . 1]" 1
1135 2 77 ARG H 2 78 ALA H . . 3.400 2.736 2.603 2.842 . 0 0 "[ . 1]" 1
1136 2 77 ARG H 2 78 ALA MB . . 5.500 4.193 4.095 4.284 . 0 0 "[ . 1]" 1
1137 2 77 ARG H 2 80 LEU MD1 . . 6.000 5.717 5.435 6.227 0.227 1 0 "[ . 1]" 1
1138 2 77 ARG HA 2 78 ALA H . . 2.800 2.832 2.764 2.929 0.129 5 0 "[ . 1]" 1
1139 2 77 ARG HA 2 79 ASP H . . 3.400 2.988 2.926 3.100 . 0 0 "[ . 1]" 1
1140 2 77 ARG HA 2 80 LEU H . . 5.500 3.488 3.378 3.592 . 0 0 "[ . 1]" 1
1141 2 77 ARG HB2 2 79 ASP H . . 5.500 5.372 5.308 5.452 . 0 0 "[ . 1]" 1
1142 2 77 ARG HB3 2 78 ALA H . . 5.500 4.487 4.479 4.509 . 0 0 "[ . 1]" 1
1143 2 77 ARG HB3 2 79 ASP H . . 5.500 4.585 4.496 4.712 . 0 0 "[ . 1]" 1
1144 2 77 ARG HB3 2 80 LEU H . . 5.500 3.279 3.145 3.457 . 0 0 "[ . 1]" 1
1145 2 77 ARG HB3 2 80 LEU MD1 . . 5.500 2.524 2.242 3.078 . 0 0 "[ . 1]" 1
1146 2 77 ARG HD2 2 78 ALA H . . 5.500 5.303 4.730 5.686 0.186 6 0 "[ . 1]" 1
1147 2 77 ARG HD2 2 79 ASP H . . 5.500 4.944 4.706 5.148 . 0 0 "[ . 1]" 1
1148 2 77 ARG HG2 2 80 LEU MD1 . . 5.500 4.502 4.271 5.053 . 0 0 "[ . 1]" 1
1149 2 78 ALA H 2 78 ALA MB . . 3.400 2.203 2.195 2.209 . 0 0 "[ . 1]" 1
1150 2 78 ALA H 2 79 ASP H . . 2.800 2.799 2.766 2.827 0.027 5 0 "[ . 1]" 1
1151 2 78 ALA H 2 80 LEU H . . 5.500 4.465 4.357 4.540 . 0 0 "[ . 1]" 1
1152 2 78 ALA HA 2 79 ASP H . . 3.400 3.533 3.518 3.553 0.153 9 0 "[ . 1]" 1
1153 2 78 ALA HA 2 80 LEU H . . 5.500 4.121 4.001 4.274 . 0 0 "[ . 1]" 1
1154 2 78 ALA HA 2 81 VAL H . . 3.400 2.948 2.890 3.071 . 0 0 "[ . 1]" 1
1155 2 78 ALA HA 2 81 VAL HB . . 2.800 2.389 2.305 2.523 . 0 0 "[ . 1]" 1
1156 2 78 ALA HA 2 81 VAL MG2 . . 5.500 2.322 2.194 2.528 . 0 0 "[ . 1]" 1
1157 2 78 ALA HA 2 82 GLU H . . 5.500 4.068 3.929 4.219 . 0 0 "[ . 1]" 1
1158 2 78 ALA MB 2 79 ASP H . . 3.400 2.964 2.917 3.013 . 0 0 "[ . 1]" 1
1159 2 78 ALA MB 2 80 LEU H . . 5.500 4.750 4.673 4.789 . 0 0 "[ . 1]" 1
1160 2 78 ALA MB 2 81 VAL HB . . 5.500 3.402 3.326 3.544 . 0 0 "[ . 1]" 1
1161 2 78 ALA MB 2 81 VAL MG1 . . 5.500 4.057 3.955 4.201 . 0 0 "[ . 1]" 1
1162 2 78 ALA MB 2 82 GLU H . . 5.500 4.415 4.276 4.569 . 0 0 "[ . 1]" 1
1163 2 79 ASP H 2 79 ASP HA . . 2.800 2.856 2.852 2.861 0.061 1 0 "[ . 1]" 1
1164 2 79 ASP H 2 80 LEU H . . 2.800 2.799 2.732 2.828 0.028 10 0 "[ . 1]" 1
1165 2 79 ASP H 2 80 LEU HA . . 6.000 5.448 5.405 5.468 . 0 0 "[ . 1]" 1
1166 2 79 ASP H 2 80 LEU HG . . 6.000 6.133 5.268 6.526 0.526 8 1 "[ . + 1]" 1
1167 2 79 ASP HA 2 80 LEU H . . 5.500 3.604 3.577 3.626 . 0 0 "[ . 1]" 1
1168 2 79 ASP HA 2 81 VAL H . . 5.500 4.478 4.411 4.622 . 0 0 "[ . 1]" 1
1169 2 79 ASP HA 2 82 GLU H . . 5.500 3.612 3.476 3.723 . 0 0 "[ . 1]" 1
1170 2 79 ASP HA 2 82 GLU HB3 . . 3.400 3.188 2.893 3.469 0.069 2 0 "[ . 1]" 1
1171 2 79 ASP HA 2 83 SER H . . 5.500 4.227 4.041 4.463 . 0 0 "[ . 1]" 1
1172 2 79 ASP HB2 2 80 LEU H . . 5.500 3.233 2.697 4.001 . 0 0 "[ . 1]" 1
1173 2 79 ASP HB3 2 80 LEU H . . 5.500 3.165 2.458 3.682 . 0 0 "[ . 1]" 1
1174 2 80 LEU H 2 80 LEU HB3 . . 3.400 3.427 3.112 3.610 0.210 10 0 "[ . 1]" 1
1175 2 80 LEU H 2 80 LEU MD2 . . 5.500 4.234 3.967 4.354 . 0 0 "[ . 1]" 1
1176 2 80 LEU H 2 80 LEU HG . . 5.000 3.563 2.858 3.887 . 0 0 "[ . 1]" 1
1177 2 80 LEU H 2 81 VAL H . . 2.800 2.582 2.540 2.693 . 0 0 "[ . 1]" 1
1178 2 80 LEU H 2 81 VAL MG2 . . 5.500 4.148 4.071 4.335 . 0 0 "[ . 1]" 1
1179 2 80 LEU H 2 82 GLU H . . 5.500 4.310 4.154 4.396 . 0 0 "[ . 1]" 1
1180 2 80 LEU HA 2 81 VAL H . . 5.500 3.566 3.556 3.580 . 0 0 "[ . 1]" 1
1181 2 80 LEU HA 2 82 GLU H . . 5.500 4.482 4.404 4.569 . 0 0 "[ . 1]" 1
1182 2 80 LEU HA 2 83 SER H . . 3.400 3.280 3.102 3.488 0.088 9 0 "[ . 1]" 1
1183 2 80 LEU HA 2 83 SER HB2 . . 5.500 2.430 2.243 2.677 . 0 0 "[ . 1]" 1
1184 2 80 LEU HB2 2 80 LEU MD1 . . 3.400 2.289 2.252 2.352 . 0 0 "[ . 1]" 1
1185 2 80 LEU HB2 2 81 VAL H . . 5.500 3.132 2.898 3.422 . 0 0 "[ . 1]" 1
1186 2 80 LEU HB2 2 84 LEU MD1 . . 5.500 4.581 4.094 5.036 . 0 0 "[ . 1]" 1
1187 2 80 LEU HB3 2 80 LEU MD1 . . 3.400 2.736 2.411 3.222 . 0 0 "[ . 1]" 1
1188 2 80 LEU HB3 2 81 VAL H . . 3.400 3.363 2.827 3.708 0.308 10 0 "[ . 1]" 1
1189 2 80 LEU MD1 2 81 VAL H . . 5.500 4.609 4.300 4.855 . 0 0 "[ . 1]" 1
1190 2 80 LEU MD1 2 83 SER HB2 . . 5.500 5.241 4.707 5.569 0.069 6 0 "[ . 1]" 1
1191 2 80 LEU MD2 2 81 VAL H . . 5.500 4.750 4.291 5.111 . 0 0 "[ . 1]" 1
1192 2 80 LEU MD2 2 83 SER H . . 5.500 5.201 4.498 6.217 0.717 4 2 "[ +. -]" 1
1193 2 80 LEU MD2 2 84 LEU H . . 5.500 4.514 3.427 5.523 0.023 4 0 "[ . 1]" 1
1194 2 81 VAL H 2 81 VAL HB . . 3.400 2.534 2.497 2.557 . 0 0 "[ . 1]" 1
1195 2 81 VAL H 2 81 VAL MG2 . . 3.400 2.207 2.136 2.257 . 0 0 "[ . 1]" 1
1196 2 81 VAL H 2 82 GLU H . . 2.800 2.872 2.828 2.956 0.156 9 0 "[ . 1]" 1
1197 2 81 VAL H 2 82 GLU HA . . 5.500 5.470 5.424 5.539 0.039 9 0 "[ . 1]" 1
1198 2 81 VAL HA 2 82 GLU H . . 5.500 3.605 3.597 3.613 . 0 0 "[ . 1]" 1
1199 2 81 VAL HA 2 83 SER H . . 5.500 4.777 4.710 4.839 . 0 0 "[ . 1]" 1
1200 2 81 VAL HA 2 84 LEU H . . 5.500 3.727 3.616 3.839 . 0 0 "[ . 1]" 1
1201 2 81 VAL HA 2 84 LEU HB2 . . 3.400 2.951 2.758 3.062 . 0 0 "[ . 1]" 1
1202 2 81 VAL HA 2 84 LEU HB3 . . 5.500 4.565 4.349 4.707 . 0 0 "[ . 1]" 1
1203 2 81 VAL HA 2 85 CYS H . . 5.500 4.254 4.133 4.658 . 0 0 "[ . 1]" 1
1204 2 81 VAL HB 2 82 GLU H . . 3.400 2.518 2.468 2.580 . 0 0 "[ . 1]" 1
1205 2 81 VAL MG1 2 82 GLU H . . 5.500 3.198 3.151 3.249 . 0 0 "[ . 1]" 1
1206 2 81 VAL MG1 2 82 GLU HA . . 5.500 3.355 3.313 3.424 . 0 0 "[ . 1]" 1
1207 2 81 VAL MG2 2 82 GLU H . . 5.500 3.905 3.855 3.940 . 0 0 "[ . 1]" 1
1208 2 82 GLU H 2 82 GLU HA . . 2.800 2.851 2.823 2.869 0.069 5 0 "[ . 1]" 1
1209 2 82 GLU H 2 82 GLU HG2 . . 5.500 4.537 4.437 4.602 . 0 0 "[ . 1]" 1
1210 2 82 GLU H 2 83 SER H . . 2.800 2.865 2.807 2.915 0.115 9 0 "[ . 1]" 1
1211 2 82 GLU H 2 84 LEU H . . 5.500 4.390 4.343 4.461 . 0 0 "[ . 1]" 1
1212 2 82 GLU HA 2 83 SER H . . 3.400 3.625 3.616 3.636 0.236 5 0 "[ . 1]" 1
1213 2 82 GLU HA 2 84 LEU H . . 5.500 4.607 4.500 4.736 . 0 0 "[ . 1]" 1
1214 2 82 GLU HA 2 85 CYS H . . 3.400 3.564 3.382 3.728 0.328 1 0 "[ . 1]" 1
1215 2 82 GLU HA 2 85 CYS HB2 . . 5.500 3.229 2.586 5.262 . 0 0 "[ . 1]" 1
1216 2 82 GLU HB3 2 83 SER H . . 3.400 2.598 2.484 2.747 . 0 0 "[ . 1]" 1
1217 2 82 GLU HG2 2 83 SER H . . 5.500 4.152 3.814 4.722 . 0 0 "[ . 1]" 1
1218 2 83 SER H 2 83 SER HA . . 2.800 2.833 2.823 2.839 0.039 6 0 "[ . 1]" 1
1219 2 83 SER H 2 83 SER HB2 . . 3.400 2.491 2.459 2.518 . 0 0 "[ . 1]" 1
1220 2 83 SER H 2 84 LEU H . . 2.800 2.927 2.888 2.960 0.160 10 0 "[ . 1]" 1
1221 2 83 SER H 2 84 LEU MD2 . . 5.500 5.928 5.662 6.084 0.584 6 4 "[ *.+-* 1]" 1
1222 2 83 SER HA 2 84 LEU H . . 3.400 3.616 3.590 3.637 0.237 1 0 "[ . 1]" 1
1223 2 83 SER HA 2 85 CYS H . . 5.500 4.490 4.332 4.571 . 0 0 "[ . 1]" 1
1224 2 83 SER HA 2 86 SER H . . 5.500 3.535 3.334 3.673 . 0 0 "[ . 1]" 1
1225 2 83 SER HA 2 86 SER HB2 . . 5.500 2.818 2.661 2.995 . 0 0 "[ . 1]" 1
1226 2 83 SER HB2 2 84 LEU H . . 3.400 2.653 2.575 2.764 . 0 0 "[ . 1]" 1
1227 2 83 SER HB2 2 84 LEU MD2 . . 5.500 4.529 4.210 4.743 . 0 0 "[ . 1]" 1
1228 2 84 LEU H 2 84 LEU HA . . 2.800 2.873 2.844 2.913 0.113 2 0 "[ . 1]" 1
1229 2 84 LEU H 2 84 LEU HB2 . . 3.400 2.350 2.319 2.394 . 0 0 "[ . 1]" 1
1230 2 84 LEU H 2 84 LEU HB3 . . 3.400 3.578 3.564 3.592 0.192 9 0 "[ . 1]" 1
1231 2 84 LEU H 2 84 LEU MD1 . . 5.500 3.607 3.535 3.716 . 0 0 "[ . 1]" 1
1232 2 84 LEU H 2 84 LEU HG . . 5.000 2.526 2.463 2.580 . 0 0 "[ . 1]" 1
1233 2 84 LEU H 2 85 CYS H . . 2.800 2.778 2.633 2.901 0.101 5 0 "[ . 1]" 1
1234 2 84 LEU H 2 86 SER H . . 5.500 4.344 4.203 4.464 . 0 0 "[ . 1]" 1
1235 2 84 LEU HA 2 85 CYS H . . 3.400 3.572 3.551 3.591 0.191 3 0 "[ . 1]" 1
1236 2 84 LEU HA 2 86 SER H . . 5.500 4.554 4.333 4.821 . 0 0 "[ . 1]" 1
1237 2 84 LEU HA 2 87 GLU H . . 5.500 3.560 3.372 4.076 . 0 0 "[ . 1]" 1
1238 2 84 LEU HA 2 87 GLU HB2 . . 5.500 3.152 2.401 4.238 . 0 0 "[ . 1]" 1
1239 2 84 LEU HB2 2 85 CYS H . . 3.400 2.875 2.755 3.159 . 0 0 "[ . 1]" 1
1240 2 84 LEU HB3 2 85 CYS H . . 3.400 3.659 3.526 3.854 0.454 5 0 "[ . 1]" 1
1241 2 84 LEU MD1 2 85 CYS H . . 5.500 4.749 4.640 4.979 . 0 0 "[ . 1]" 1
1242 2 84 LEU MD2 2 85 CYS H . . 5.500 4.845 4.773 4.938 . 0 0 "[ . 1]" 1
1243 2 84 LEU MD2 2 88 SER HB2 . . 5.500 5.648 5.380 5.859 0.359 8 0 "[ . 1]" 1
1244 2 84 LEU HG 2 85 CYS H . . 5.500 4.720 4.578 4.893 . 0 0 "[ . 1]" 1
1245 2 85 CYS H 2 85 CYS HA . . 2.800 2.887 2.853 2.977 0.177 5 0 "[ . 1]" 1
1246 2 85 CYS HA 2 86 SER H . . 3.400 3.615 3.591 3.638 0.238 1 0 "[ . 1]" 1
1247 2 85 CYS HA 2 88 SER H . . 5.500 3.537 3.086 4.071 . 0 0 "[ . 1]" 1
1248 2 85 CYS HA 2 88 SER HB2 . . 5.500 2.860 2.369 3.572 . 0 0 "[ . 1]" 1
1249 2 86 SER H 2 86 SER HB2 . . 3.400 2.461 2.405 2.525 . 0 0 "[ . 1]" 1
1250 2 86 SER H 2 87 GLU H . . 5.500 2.834 2.716 2.933 . 0 0 "[ . 1]" 1
1251 2 86 SER HA 2 87 GLU H . . 3.400 3.554 3.480 3.614 0.214 5 0 "[ . 1]" 1
1252 2 86 SER HA 2 89 THR H . . 5.500 4.471 3.811 5.745 0.245 3 0 "[ . 1]" 1
1253 2 86 SER HB2 2 87 GLU H . . 3.400 2.917 2.671 3.318 . 0 0 "[ . 1]" 1
1254 2 87 GLU H 2 87 GLU HG2 . . 5.500 3.751 2.505 4.768 . 0 0 "[ . 1]" 1
1255 2 87 GLU HA 2 88 SER H . . 3.400 3.414 3.223 3.561 0.161 9 0 "[ . 1]" 1
1256 2 88 SER H 2 88 SER HB2 . . 3.400 2.379 2.249 2.760 . 0 0 "[ . 1]" 1
1257 2 88 SER HA 2 89 THR H . . 5.500 3.424 2.591 3.561 . 0 0 "[ . 1]" 1
1258 2 89 THR HA 2 90 ALA H . . 3.400 2.708 2.155 3.393 . 0 0 "[ . 1]" 1
1259 2 90 ALA HA 2 91 THR H . . 3.400 2.380 2.201 2.569 . 0 0 "[ . 1]" 1
1260 2 90 ALA MB 2 91 THR H . . 5.500 2.689 2.199 3.693 . 0 0 "[ . 1]" 1
1261 2 91 THR HA 2 92 SER H . . 5.500 2.664 2.104 3.538 . 0 0 "[ . 1]" 1
1262 2 92 SER QB 2 94 VAL H . . 5.500 3.957 2.741 6.055 0.555 9 2 "[ . - +1]" 1
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