NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430342 |
2jo5   |
15392 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jo5
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 1276
_Distance_constraint_stats_list.Viol_count 12695
_Distance_constraint_stats_list.Viol_total 230826.500
_Distance_constraint_stats_list.Viol_max 5.672
_Distance_constraint_stats_list.Viol_rms 1.0778
_Distance_constraint_stats_list.Viol_average_all_restraints 1.8090
_Distance_constraint_stats_list.Viol_average_violations_only 1.8182
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 105.705 4.427 8 10 [*******+*-]
1 3 LYS 328.123 4.615 8 10 [***-***+**]
1 4 ALA 374.570 4.812 5 10 [****+*-***]
1 5 ALA 748.796 4.361 8 10 [**-****+**]
1 6 ALA 277.894 3.845 7 10 [******+***]
1 7 ALA 409.851 4.028 5 10 [****+*****]
1 8 ALA 597.195 5.578 5 10 [***-+*****]
1 9 ILE 1114.138 4.361 8 10 [*****-*+**]
1 10 LYS 583.421 3.845 7 10 [**-***+***]
1 11 ALA 230.284 3.715 2 10 [*+***-****]
1 12 ILE 544.660 3.810 4 10 [**-+******]
1 13 ALA 618.412 3.457 9 10 [****-***+*]
1 14 ALA 240.163 3.733 6 10 [*****+**-*]
1 15 ILE 713.695 4.158 5 10 [****+-****]
1 16 ILE 1380.644 4.061 10 10 [****-****+]
1 17 LYS 474.959 3.680 7 10 [******+*-*]
1 18 ALA 206.901 3.305 6 10 [*****+**-*]
1 19 GLY 223.918 3.707 9 10 [**-*****+*]
1 20 GLY 158.279 3.341 2 10 [*+*****-**]
1 21 PHE 1412.919 5.607 5 10 [****+*-***]
2 2 ALA 106.367 4.557 3 10 [**+**-****]
2 3 LYS 330.017 4.494 6 10 [*****+***-]
2 4 ALA 371.610 4.863 3 10 [**+*-*****]
2 5 ALA 753.125 4.458 4 10 [***+**-***]
2 6 ALA 285.329 4.012 4 10 [***+*****-]
2 7 ALA 397.551 4.158 5 10 [****+-****]
2 8 ALA 590.973 5.607 5 10 [-***+*****]
2 9 ILE 1114.345 4.458 4 10 [***+*****-]
2 10 LYS 589.756 4.012 4 10 [***+******]
2 11 ALA 222.560 3.477 6 10 [***-*+****]
2 12 ILE 549.273 3.810 8 10 [****-**+**]
2 13 ALA 612.866 3.483 6 10 [****-+****]
2 14 ALA 242.420 3.722 9 10 [********+-]
2 15 ILE 724.645 4.028 5 10 [****+*-***]
2 16 ILE 1381.676 4.071 7 10 [****-*+***]
2 17 LYS 480.249 3.603 3 10 [**+******-]
2 18 ALA 208.329 3.317 8 10 [**-****+**]
2 19 GLY 222.539 3.745 6 10 [**-**+****]
2 20 GLY 159.092 3.328 8 10 [*-*****+**]
2 21 PHE 1395.240 5.578 5 10 [****+****-]
3 2 ALA 104.426 3.679 10 10 [*****-***+]
3 3 LYS 327.529 4.574 5 10 [****+*-***]
3 4 ALA 373.179 4.821 10 10 [****-****+]
3 5 ALA 737.339 4.372 3 10 [**+*****-*]
3 6 ALA 276.874 3.946 8 10 [*******+-*]
3 7 ALA 403.559 4.376 8 10 [*******+*-]
3 8 ALA 586.064 5.672 5 10 [-***+*****]
3 9 ILE 1103.577 4.372 3 10 [-*+*******]
3 10 LYS 581.290 3.946 8 10 [**-****+**]
3 11 ALA 230.748 3.701 10 10 [-********+]
3 12 ILE 536.001 3.845 6 10 [*****+****]
3 13 ALA 620.269 3.470 2 10 [*+*****-**]
3 14 ALA 238.984 3.811 2 10 [*+****-***]
3 15 ILE 728.738 4.311 8 10 [**-****+**]
3 16 ILE 1373.805 4.053 7 10 [******+-**]
3 17 LYS 468.391 3.531 8 10 [******-+**]
3 18 ALA 208.134 3.385 6 10 [*****+**-*]
3 19 GLY 222.949 3.779 10 10 [********-+]
3 20 GLY 158.873 3.418 10 10 [-********+]
3 21 PHE 1400.540 5.632 8 10 [****-**+**]
4 2 ALA 106.075 3.590 6 10 [*****+-***]
4 3 LYS 324.272 4.466 10 10 [**-******+]
4 4 ALA 366.770 4.818 9 10 [*****-**+*]
4 5 ALA 761.655 4.348 2 10 [*+********]
4 6 ALA 286.721 3.935 3 10 [**+-******]
4 7 ALA 406.908 4.311 8 10 [*****-*+**]
4 8 ALA 598.131 5.632 8 10 [*-*****+**]
4 9 ILE 1117.005 4.348 2 10 [*+*******-]
4 10 LYS 588.977 3.935 3 10 [*-+*******]
4 11 ALA 228.498 3.335 10 10 [*********+]
4 12 ILE 550.608 3.827 9 10 [***-****+*]
4 13 ALA 619.058 3.460 5 10 [***-+*****]
4 14 ALA 240.686 3.743 10 10 [****-****+]
4 15 ILE 720.170 4.376 8 10 [*******+*-]
4 16 ILE 1379.371 4.035 10 10 [****-****+]
4 17 LYS 476.330 3.634 8 10 [*******+*-]
4 18 ALA 208.259 3.472 9 10 [*******-+*]
4 19 GLY 222.229 3.758 2 10 [*+*****-**]
4 20 GLY 157.132 3.249 3 10 [-*+*******]
4 21 PHE 1387.891 5.672 5 10 [-***+*****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 4 ALA H . . 1.800 4.382 3.905 5.567 3.767 8 10 [**-****+**] 1
2 1 2 ALA H 1 5 ALA MB . . 1.800 4.525 3.467 4.856 3.056 6 10 [*****+*-**] 1
3 1 2 ALA HA 2 21 PHE QE . . 1.800 4.023 2.927 6.227 4.427 8 10 [*******+*-] 1
4 1 2 ALA MB 1 4 ALA MB . . 1.800 4.840 4.698 5.091 3.291 4 10 [***+-*****] 1
5 1 3 LYS H 1 3 LYS QD . . 1.800 3.724 3.192 4.020 2.220 6 10 [*****+-***] 1
6 1 3 LYS H 1 3 LYS QE . . 1.800 4.405 3.600 5.009 3.209 4 10 [***+*-****] 1
7 1 3 LYS H 1 3 LYS QG . . 1.800 2.276 2.075 2.565 0.765 3 2 "[ + . -]" 1
8 1 3 LYS H 1 4 ALA H . . 1.800 2.636 2.478 2.773 0.973 8 10 [**-****+**] 1
9 1 3 LYS H 1 5 ALA H . . 1.800 4.129 3.992 4.274 2.474 8 10 [**-****+**] 1
10 1 3 LYS H 1 5 ALA MB . . 1.800 4.687 4.590 4.870 3.070 8 10 [**-****+**] 1
11 1 3 LYS H 2 21 PHE QE . . 1.800 6.123 5.766 6.415 4.615 8 10 [*******+*-] 1
12 1 3 LYS HA 1 3 LYS QD . . 1.800 3.385 2.223 4.195 2.395 5 7 "[* -*+* * *]" 1
13 1 3 LYS HA 1 3 LYS QE . . 1.800 4.198 2.729 4.653 2.853 1 10 [+*****-***] 1
14 1 3 LYS HA 1 3 LYS QG . . 1.800 2.513 2.146 3.038 1.238 7 8 "[** -* +***]" 1
15 1 3 LYS HA 1 4 ALA H . . 1.800 3.450 3.418 3.512 1.712 1 10 [+*-*******] 1
16 1 3 LYS HA 1 5 ALA H . . 1.800 3.742 3.532 3.877 2.077 9 10 [**-*****+*] 1
17 1 3 LYS HA 1 5 ALA MB . . 1.800 4.636 4.526 4.730 2.930 9 10 [**-*****+*] 1
18 1 3 LYS QB 1 3 LYS QD . . 1.800 2.235 2.026 2.884 1.084 7 2 "[ - + 1]" 1
19 1 3 LYS QB 1 3 LYS QE . . 1.800 3.166 2.155 3.611 1.811 4 8 "[***+.- ***]" 1
20 1 3 LYS QB 1 3 LYS QG . . 1.800 2.040 1.957 2.102 0.302 4 0 "[ . 1]" 1
21 1 3 LYS QB 1 4 ALA H . . 1.800 2.743 2.599 3.103 1.303 4 10 [***+***-**] 1
22 1 3 LYS QB 1 5 ALA H . . 1.800 4.533 4.435 4.638 2.838 4 10 [**-+******] 1
23 1 3 LYS QD 1 3 LYS QE . . 1.800 1.997 1.718 2.091 0.291 7 0 "[ . 1]" 1
24 1 3 LYS QE 1 3 LYS QG . . 1.800 2.188 2.016 2.887 1.087 5 1 "[ + 1]" 1
25 1 4 ALA H 1 4 ALA MB . . 1.800 2.111 2.048 2.214 0.414 8 0 "[ . 1]" 1
26 1 4 ALA H 1 5 ALA H . . 1.800 2.668 2.247 2.840 1.040 8 9 "[*** ***+-*]" 1
27 1 4 ALA H 1 5 ALA MB . . 1.800 4.065 3.708 4.309 2.509 8 10 [***-***+**] 1
28 1 4 ALA H 2 21 PHE QD . . 1.800 5.270 4.940 5.612 3.812 9 10 [*****-**+*] 1
29 1 4 ALA H 2 21 PHE HZ . . 1.800 4.862 4.692 5.029 3.229 5 10 [*-**+*****] 1
30 1 4 ALA HA 1 5 ALA H . . 1.800 3.344 3.277 3.459 1.659 5 10 [****+*-***] 1
31 1 4 ALA HA 1 7 ALA H . . 1.800 4.012 3.710 4.330 2.530 5 10 [****+*-***] 1
32 1 4 ALA HA 2 21 PHE QD . . 1.800 6.480 6.337 6.612 4.812 5 10 [****+****-] 1
33 1 4 ALA HA 2 21 PHE HZ . . 1.800 4.684 4.514 4.874 3.074 6 10 [*****+-***] 1
34 1 4 ALA MB 1 5 ALA H . . 1.800 3.231 3.034 3.381 1.581 8 10 [****-**+**] 1
35 1 4 ALA MB 1 5 ALA HA . . 1.800 3.742 3.508 3.937 2.137 7 10 [****-*+***] 1
36 1 4 ALA MB 2 21 PHE QD . . 1.800 3.725 3.556 3.875 2.075 3 10 [**+**-****] 1
37 1 4 ALA MB 2 21 PHE QE . . 1.800 2.686 2.459 2.938 1.138 4 10 [-**+******] 1
38 1 4 ALA MB 2 21 PHE HZ . . 1.800 2.726 2.424 3.040 1.240 4 10 [***+**-***] 1
39 1 5 ALA H 1 5 ALA MB . . 1.800 2.230 2.189 2.313 0.513 3 1 "[ + . 1]" 1
40 1 5 ALA H 1 6 ALA H . . 1.800 2.958 2.853 3.110 1.310 2 10 [-+********] 1
41 1 5 ALA H 1 6 ALA HA . . 1.800 5.462 5.344 5.557 3.757 2 10 [*+****-***] 1
42 1 5 ALA H 1 7 ALA H . . 1.800 4.435 4.281 4.532 2.732 3 10 [*-+*******] 1
43 1 5 ALA H 1 9 ILE MD . . 1.800 5.945 5.084 6.161 4.361 8 10 [*-*****+**] 1
44 1 5 ALA H 2 21 PHE QD . . 1.800 5.191 4.903 5.484 3.684 9 10 [******-*+*] 1
45 1 5 ALA H 2 21 PHE HZ . . 1.800 4.265 4.086 4.555 2.755 3 10 [**+****-**] 1
46 1 5 ALA HA 1 6 ALA H . . 1.800 3.465 3.096 3.581 1.781 8 10 [******-+**] 1
47 1 5 ALA HA 1 7 ALA H . . 1.800 4.323 4.129 4.556 2.756 8 10 [****-**+**] 1
48 1 5 ALA HA 1 8 ALA H . . 1.800 3.231 3.106 3.393 1.593 8 10 [****-**+**] 1
49 1 5 ALA HA 1 8 ALA MB . . 1.800 2.760 2.555 2.884 1.084 7 10 [****-*+***] 1
50 1 5 ALA HA 1 9 ILE H . . 1.800 3.688 3.413 4.020 2.220 9 10 [****-***+*] 1
51 1 5 ALA HA 1 9 ILE MD . . 1.800 3.823 3.336 4.009 2.209 6 10 [*****+-***] 1
52 1 5 ALA HA 2 21 PHE QD . . 1.800 4.238 3.788 4.443 2.643 9 10 [****-***+*] 1
53 1 5 ALA HA 2 21 PHE QE . . 1.800 2.112 2.003 2.202 0.402 1 0 "[ . 1]" 1
54 1 5 ALA HA 2 21 PHE HZ . . 1.800 2.602 2.278 3.343 1.543 3 9 "[* +******-]" 1
55 1 5 ALA MB 1 6 ALA H . . 1.800 2.766 2.490 3.564 1.764 3 10 [**+*****-*] 1
56 1 5 ALA MB 1 6 ALA HA . . 1.800 3.999 3.817 4.399 2.599 3 10 [*-+*******] 1
57 1 5 ALA MB 1 6 ALA MB . . 1.800 3.963 3.729 4.501 2.701 3 10 [*-+*******] 1
58 1 5 ALA MB 1 7 ALA H . . 1.800 4.682 4.389 5.129 3.329 3 10 [*-+*******] 1
59 1 5 ALA MB 1 9 ILE MD . . 1.800 3.260 2.471 3.601 1.801 8 10 [*-*****+**] 1
60 1 5 ALA MB 1 9 ILE QG . . 1.800 2.977 2.535 4.216 2.416 2 10 [*+*****-**] 1
61 1 5 ALA MB 1 9 ILE MG . . 1.800 4.706 3.435 5.342 3.542 9 10 [*-******+*] 1
62 1 5 ALA MB 2 21 PHE QD . . 1.800 3.357 2.617 3.943 2.143 9 10 [**-*****+*] 1
63 1 5 ALA MB 2 21 PHE QE . . 1.800 2.419 2.179 2.759 0.959 5 8 "[****+ **-]" 1
64 1 5 ALA MB 2 21 PHE HZ . . 1.800 3.847 3.695 3.934 2.134 8 10 [-******+**] 1
65 1 5 ALA MB 4 21 PHE QD . . 1.800 3.275 2.636 3.887 2.087 5 10 [****+**-**] 1
66 1 6 ALA H 1 6 ALA MB . . 1.800 2.271 2.170 2.434 0.634 3 2 "[ + . - 1]" 1
67 1 6 ALA H 1 7 ALA H . . 1.800 2.675 2.028 2.925 1.125 10 8 "[** -** **+]" 1
68 1 6 ALA H 1 10 LYS QG . . 1.800 5.527 5.231 5.645 3.845 7 10 [***-**+***] 1
69 1 6 ALA HA 1 7 ALA H . . 1.800 3.465 3.408 3.530 1.730 7 10 [*-****+***] 1
70 1 6 ALA HA 1 9 ILE H . . 1.800 3.684 3.449 3.918 2.118 5 10 [****+***-*] 1
71 1 6 ALA HA 1 9 ILE MD . . 1.800 4.706 2.242 5.431 3.631 8 9 "[* *****+-*]" 1
72 1 6 ALA HA 1 9 ILE MG . . 1.800 4.446 4.268 4.592 2.792 2 10 [*+*****-**] 1
73 1 6 ALA HA 1 10 LYS H . . 1.800 3.600 2.930 3.951 2.151 7 10 [*-****+***] 1
74 1 7 ALA H 1 7 ALA MB . . 1.800 2.226 2.144 2.282 0.482 8 0 "[ . 1]" 1
75 1 7 ALA H 1 8 ALA H . . 1.800 2.810 2.492 2.924 1.124 3 10 [**+*-*****] 1
76 1 7 ALA H 1 8 ALA HA . . 1.800 5.396 5.090 5.517 3.717 3 10 [**+*-*****] 1
77 1 7 ALA H 1 8 ALA MB . . 1.800 4.424 4.104 4.547 2.747 3 10 [**+*-*****] 1
78 1 7 ALA H 1 9 ILE H . . 1.800 4.360 4.112 4.593 2.793 2 10 [*+**-*****] 1
79 1 7 ALA H 1 10 LYS QB . . 1.800 4.858 4.692 5.011 3.211 8 10 [**-****+**] 1
80 1 7 ALA H 2 15 ILE MG . . 1.800 4.959 4.242 5.828 4.028 5 10 [*-**+*****] 1
81 1 7 ALA HA 1 8 ALA H . . 1.800 3.557 3.499 3.591 1.791 9 10 [**-*****+*] 1
82 1 7 ALA HA 1 10 LYS H . . 1.800 4.050 3.711 4.596 2.796 2 10 [*+******-*] 1
83 1 7 ALA HA 1 11 ALA H . . 1.800 4.337 3.797 4.813 3.013 1 10 [+-********] 1
84 1 7 ALA MB 1 8 ALA H . . 1.800 2.848 2.658 3.033 1.233 4 10 [**-+******] 1
85 1 7 ALA MB 2 15 ILE MD . . 1.800 4.594 3.069 5.480 3.680 3 10 [*-+*******] 1
86 1 7 ALA MB 2 15 ILE MG . . 1.800 3.174 2.527 4.512 2.712 5 10 [****+****-] 1
87 1 8 ALA H 1 8 ALA MB . . 1.800 2.154 2.125 2.189 0.389 6 0 "[ . 1]" 1
88 1 8 ALA H 1 9 ILE H . . 1.800 2.423 2.304 2.986 1.186 2 10 [*+*-******] 1
89 1 8 ALA H 1 9 ILE MD . . 1.800 4.700 4.007 5.127 3.327 8 10 [*-*****+**] 1
90 1 8 ALA H 1 9 ILE MG . . 1.800 5.491 4.203 5.684 3.884 7 10 [*-****+***] 1
91 1 8 ALA H 2 15 ILE MG . . 1.800 3.327 2.694 4.271 2.471 5 10 [*-**+*****] 1
92 1 8 ALA H 2 21 PHE QD . . 1.800 6.537 6.335 6.629 4.829 8 10 [****-**+**] 1
93 1 8 ALA HA 1 9 ILE H . . 1.800 3.493 3.423 3.589 1.789 2 10 [*+-*******] 1
94 1 8 ALA HA 1 10 LYS H . . 1.800 4.611 4.566 4.687 2.887 4 10 [***+-*****] 1
95 1 8 ALA HA 2 15 ILE MG . . 1.800 2.673 2.250 3.616 1.816 5 8 "[****+**- 1]" 1
96 1 8 ALA HA 2 21 PHE QD . . 1.800 7.281 7.141 7.378 5.578 5 10 [****+***-*] 1
97 1 8 ALA HA 2 21 PHE QE . . 1.800 5.300 5.189 5.407 3.607 8 10 [*******+*-] 1
98 1 8 ALA HA 2 21 PHE HZ . . 1.800 4.630 4.486 4.811 3.011 5 10 [****+*-***] 1
99 1 8 ALA MB 1 9 ILE H . . 1.800 2.396 2.028 2.513 0.713 9 8 "[* *-*** +*]" 1
100 1 8 ALA MB 1 9 ILE MD . . 1.800 3.198 2.847 3.528 1.728 5 10 [****+*-***] 1
101 1 8 ALA MB 1 9 ILE QG . . 1.800 3.069 2.286 4.582 2.782 2 9 "[-+***** **]" 1
102 1 8 ALA MB 1 9 ILE MG . . 1.800 4.452 2.330 4.819 3.019 5 10 [*-**+*****] 1
103 1 8 ALA MB 1 11 ALA H . . 1.800 4.898 4.768 5.080 3.280 2 10 [*+****-***] 1
104 1 8 ALA MB 2 15 ILE HA . . 1.800 5.093 4.860 5.406 3.606 3 10 [*-+*******] 1
105 1 8 ALA MB 2 15 ILE HB . . 1.800 3.213 2.649 3.725 1.925 3 10 [-*+*******] 1
106 1 8 ALA MB 2 15 ILE MD . . 1.800 4.056 2.903 4.666 2.866 3 10 [**+*-*****] 1
107 1 8 ALA MB 2 15 ILE MG . . 1.800 2.099 1.927 2.265 0.465 1 0 "[ . 1]" 1
108 1 9 ILE H 1 9 ILE MD . . 1.800 3.118 2.034 3.551 1.751 8 9 "[* *****+-*]" 1
109 1 9 ILE H 1 9 ILE QG . . 1.800 2.147 1.866 3.515 1.715 2 1 "[ + . 1]" 1
110 1 9 ILE H 1 9 ILE MG . . 1.800 3.544 2.001 3.777 1.977 4 9 "[* *+*-****]" 1
111 1 9 ILE H 1 10 LYS H . . 1.800 2.602 2.452 2.696 0.896 6 10 [*****+-***] 1
112 1 9 ILE HA 1 9 ILE MD . . 1.800 2.562 2.239 3.488 1.688 2 9 "[*+**** **-]" 1
113 1 9 ILE HA 1 9 ILE QG . . 1.800 3.047 2.782 3.427 1.627 2 10 [*+*****-**] 1
114 1 9 ILE HA 1 9 ILE MG . . 1.800 2.295 2.202 2.465 0.665 2 4 "[ + .- * *]" 1
115 1 9 ILE HA 1 10 LYS H . . 1.800 3.498 3.368 3.561 1.761 5 10 [*-**+*****] 1
116 1 9 ILE HB 1 9 ILE MD . . 1.800 3.211 3.158 3.274 1.474 4 10 [**-+******] 1
117 1 9 ILE HB 1 13 ALA H . . 1.800 5.116 4.830 5.248 3.448 5 10 [*-**+*****] 1
118 1 9 ILE MD 1 9 ILE QG . . 1.800 1.856 1.752 1.919 0.119 2 0 "[ . 1]" 1
119 1 9 ILE MD 1 10 LYS H . . 1.800 4.477 2.095 4.965 3.165 1 9 "[+ ******-*]" 1
120 1 9 ILE MD 1 12 ILE H . . 1.800 5.216 4.972 5.443 3.643 6 10 [*****+-***] 1
121 1 9 ILE MD 1 12 ILE HB . . 1.800 4.953 4.294 5.374 3.574 9 10 [**-*****+*] 1
122 1 9 ILE MD 1 13 ALA H . . 1.800 5.110 4.982 5.226 3.426 3 10 [**+****-**] 1
123 1 9 ILE MD 1 13 ALA MB . . 1.800 4.640 4.477 4.908 3.108 3 10 [**+****-**] 1
124 1 9 ILE MD 2 21 PHE HZ . . 1.800 4.781 4.562 4.948 3.148 9 10 [****-***+*] 1
125 1 9 ILE MD 4 16 ILE MD . . 1.800 2.738 2.428 3.652 1.852 2 10 [-+********] 1
126 1 9 ILE MD 4 16 ILE MG . . 1.800 4.444 4.261 4.695 2.895 2 10 [*+*-******] 1
127 1 9 ILE MD 4 21 PHE H . . 1.800 5.473 5.312 5.657 3.857 3 10 [*-+*******] 1
128 1 9 ILE MD 4 21 PHE HA . . 1.800 5.038 4.180 5.290 3.490 3 10 [*-+*******] 1
129 1 9 ILE MD 4 21 PHE QB . . 1.800 3.035 2.207 3.253 1.453 10 9 "[* **-****+]" 1
130 1 9 ILE MD 4 21 PHE QD . . 1.800 2.682 2.239 3.200 1.400 9 9 [-***.***+*] 1
131 1 9 ILE MD 4 21 PHE QE . . 1.800 3.095 2.792 3.577 1.777 2 10 [-+********] 1
132 1 9 ILE QG 1 9 ILE MG . . 1.800 2.380 2.226 2.487 0.687 1 9 "[+ ******-*]" 1
133 1 9 ILE QG 1 10 LYS H . . 1.800 3.784 3.424 4.058 2.258 8 10 [*-*****+**] 1
134 1 9 ILE MG 1 10 LYS H . . 1.800 3.631 3.556 3.910 2.110 2 10 [*+-*******] 1
135 1 9 ILE MG 1 10 LYS HA . . 1.800 3.838 3.458 5.379 3.579 2 10 [*+*-******] 1
136 1 9 ILE MG 1 10 LYS QB . . 1.800 4.771 4.646 4.951 3.151 2 10 [*+*-******] 1
137 1 9 ILE MG 1 10 LYS QG . . 1.800 3.790 3.447 5.014 3.214 2 10 [*+**-*****] 1
138 1 9 ILE MG 1 11 ALA H . . 1.800 5.027 4.853 5.515 3.715 2 10 [-+********] 1
139 1 9 ILE MG 1 12 ILE HB . . 1.800 4.924 4.108 5.428 3.628 10 10 [**-******+] 1
140 1 9 ILE MG 4 16 ILE MD . . 1.800 2.167 1.916 3.462 1.662 2 1 "[ + . 1]" 1
141 1 9 ILE MG 4 16 ILE MG . . 1.800 3.144 2.637 5.484 3.684 2 10 [*+**-*****] 1
142 1 9 ILE MG 4 21 PHE QB . . 1.800 2.257 1.932 4.464 2.664 2 1 "[ + . 1]" 1
143 1 9 ILE MG 4 21 PHE QD . . 1.800 3.319 2.946 3.806 2.006 2 10 [*+**-*****] 1
144 1 9 ILE MG 4 21 PHE QE . . 1.800 4.297 3.374 4.577 2.777 9 10 [*-******+*] 1
145 1 9 ILE MG 4 21 PHE HZ . . 1.800 5.384 4.265 5.602 3.802 9 10 [*-******+*] 1
146 1 10 LYS H 1 10 LYS QD . . 1.800 4.041 3.778 4.670 2.870 2 10 [*+*****-**] 1
147 1 10 LYS H 1 10 LYS QE . . 1.800 4.717 3.926 5.037 3.237 2 10 [*+*******-] 1
148 1 10 LYS H 1 10 LYS QG . . 1.800 2.645 2.435 3.540 1.740 2 10 [*+******-*] 1
149 1 10 LYS H 1 11 ALA H . . 1.800 2.544 2.190 2.715 0.915 3 9 "[* +-******]" 1
150 1 10 LYS H 1 13 ALA MB . . 1.800 4.934 4.732 5.111 3.311 6 10 [*-***+****] 1
151 1 10 LYS HA 1 10 LYS QD . . 1.800 3.889 2.282 4.206 2.406 4 9 "[* *+*****-]" 1
152 1 10 LYS HA 1 10 LYS QE . . 1.800 4.064 3.599 4.558 2.758 6 10 [*-***+****] 1
153 1 10 LYS HA 1 10 LYS QG . . 1.800 2.318 2.201 2.402 0.602 2 7 "[*+-*.** *1]" 1
154 1 10 LYS HA 1 11 ALA H . . 1.800 3.442 3.372 3.495 1.695 8 10 [*****-*+**] 1
155 1 10 LYS HA 1 12 ILE H . . 1.800 4.450 3.682 4.638 2.838 7 10 [******+-**] 1
156 1 10 LYS HA 1 13 ALA H . . 1.800 3.671 2.796 3.908 2.108 7 10 [*-****+***] 1
157 1 10 LYS HA 1 13 ALA MB . . 1.800 3.221 2.419 3.650 1.850 6 10 [*-***+****] 1
158 1 10 LYS QB 1 10 LYS QD . . 1.800 2.317 2.108 2.727 0.927 2 4 "[ +* * -]" 1
159 1 10 LYS QB 1 10 LYS QE . . 1.800 2.396 2.051 3.511 1.711 6 2 "[ .+ -1]" 1
160 1 10 LYS QB 1 10 LYS QG . . 1.800 2.097 1.993 2.122 0.322 10 0 "[ . 1]" 1
161 1 10 LYS QB 1 10 LYS QZ . . 1.800 3.553 3.362 3.969 2.169 9 10 [********+-] 1
162 1 10 LYS QB 1 11 ALA H . . 1.800 2.920 2.643 3.000 1.200 9 10 [*******-+*] 1
163 1 10 LYS QD 1 10 LYS QG . . 1.800 2.024 1.990 2.110 0.310 6 0 "[ . 1]" 1
164 1 10 LYS QD 1 10 LYS QZ . . 1.800 2.090 2.024 2.160 0.360 10 0 "[ . 1]" 1
165 1 10 LYS QE 1 10 LYS QZ . . 1.800 1.764 1.539 1.841 0.041 1 0 "[ . 1]" 1
166 1 10 LYS QG 1 10 LYS QZ . . 1.800 3.354 3.186 3.447 1.647 4 10 [***+***-**] 1
167 1 11 ALA H 1 11 ALA MB . . 1.800 2.231 2.168 2.298 0.498 9 0 "[ . 1]" 1
168 1 11 ALA H 1 12 ILE H . . 1.800 2.680 2.488 2.865 1.065 10 10 [*****-***+] 1
169 1 11 ALA H 1 15 ILE MD . . 1.800 4.858 4.753 5.085 3.285 2 10 [*+*****-**] 1
170 1 11 ALA HA 1 12 ILE H . . 1.800 3.554 3.342 3.644 1.844 1 10 [+******-**] 1
171 1 11 ALA HA 1 13 ALA H . . 1.800 4.939 4.583 5.110 3.310 8 10 [*-*****+**] 1
172 1 11 ALA HA 1 15 ILE MD . . 1.800 3.200 2.522 3.797 1.997 2 10 [*+*****-**] 1
173 1 12 ILE H 1 12 ILE MD . . 1.800 4.054 2.449 4.525 2.725 5 10 [*-**+*****] 1
174 1 12 ILE H 1 12 ILE QG . . 1.800 3.718 3.562 3.876 2.076 8 10 [**-****+**] 1
175 1 12 ILE H 1 12 ILE MG . . 1.800 2.792 2.151 3.578 1.778 2 9 "[ +****-***]" 1
176 1 12 ILE H 1 13 ALA H . . 1.800 2.831 2.243 2.954 1.154 3 9 "[**+***- **]" 1
177 1 12 ILE HA 1 12 ILE MD . . 1.800 2.876 2.306 3.660 1.860 7 10 [**-***+***] 1
178 1 12 ILE HA 1 12 ILE QG . . 1.800 2.194 1.879 2.381 0.581 3 3 "[ -+ . *1]" 1
179 1 12 ILE HA 1 12 ILE MG . . 1.800 3.090 2.767 3.199 1.399 6 10 [*-***+****] 1
180 1 12 ILE HA 1 13 ALA H . . 1.800 3.568 3.529 3.602 1.802 1 10 [+-********] 1
181 1 12 ILE HA 1 15 ILE H . . 1.800 3.262 3.066 3.472 1.672 8 10 [*-*****+**] 1
182 1 12 ILE HA 1 15 ILE HB . . 1.800 2.286 2.056 2.432 0.632 8 6 "[* *.**+ -]" 1
183 1 12 ILE HA 1 15 ILE QG . . 1.800 3.722 3.635 3.920 2.120 8 10 [*******+*-] 1
184 1 12 ILE HA 1 15 ILE MG . . 1.800 3.608 3.267 3.848 2.048 1 10 [+*-*******] 1
185 1 12 ILE HA 1 16 ILE H . . 1.800 3.598 3.538 3.659 1.859 8 10 [***-***+**] 1
186 1 12 ILE HB 1 12 ILE MD . . 1.800 2.835 2.456 3.259 1.459 5 10 [*-**+*****] 1
187 1 12 ILE HB 1 15 ILE MG . . 1.800 5.540 5.438 5.610 3.810 4 10 [-**+******] 1
188 1 12 ILE MD 1 12 ILE MG . . 1.800 2.391 2.089 3.252 1.452 2 2 "[ +- . 1]" 1
189 1 12 ILE QG 1 13 ALA H . . 1.800 4.403 3.733 4.725 2.925 2 10 [-+********] 1
190 1 12 ILE QG 1 15 ILE MD . . 1.800 3.612 3.250 5.106 3.306 8 10 [*****-*+**] 1
191 1 12 ILE QG 1 15 ILE MG . . 1.800 3.854 3.459 4.130 2.330 9 10 [*-******+*] 1
192 1 12 ILE MG 1 13 ALA H . . 1.800 2.410 2.112 2.971 1.171 2 5 "[-+**. *1]" 1
193 1 12 ILE MG 1 13 ALA HA . . 1.800 3.376 3.128 3.621 1.821 10 10 [*******-*+] 1
194 1 12 ILE MG 1 13 ALA MB . . 1.800 3.166 2.800 3.697 1.897 2 10 [*+***-****] 1
195 1 12 ILE MG 1 16 ILE HB . . 1.800 4.582 3.970 5.212 3.412 10 10 [**-******+] 1
196 1 12 ILE MG 1 16 ILE MG . . 1.800 4.921 4.374 5.160 3.360 10 10 [**-******+] 1
197 1 13 ALA H 1 13 ALA MB . . 1.800 2.217 2.176 2.254 0.454 7 0 "[ . 1]" 1
198 1 13 ALA H 1 14 ALA H . . 1.800 2.693 2.489 2.855 1.055 6 10 [*****+**-*] 1
199 1 13 ALA H 1 16 ILE HB . . 1.800 4.892 4.722 5.146 3.346 6 10 [-****+****] 1
200 1 13 ALA H 4 16 ILE MD . . 1.800 3.983 3.801 4.113 2.313 7 10 [*-****+***] 1
201 1 13 ALA H 4 16 ILE MG . . 1.800 5.159 4.894 5.257 3.457 9 10 [****-***+*] 1
202 1 13 ALA HA 1 14 ALA H . . 1.800 3.347 3.013 3.451 1.651 5 10 [****+-****] 1
203 1 13 ALA HA 1 16 ILE H . . 1.800 3.430 3.367 3.462 1.662 3 10 [**+**-****] 1
204 1 13 ALA HA 1 16 ILE HB . . 1.800 2.371 2.233 2.494 0.694 10 9 "[ ***-****+]" 1
205 1 13 ALA HA 1 16 ILE MD . . 1.800 2.895 2.419 3.820 2.020 6 10 [****-+****] 1
206 1 13 ALA HA 1 16 ILE QG . . 1.800 3.280 2.016 3.692 1.892 4 8 "[***+* *-*1]" 1
207 1 13 ALA HA 1 16 ILE MG . . 1.800 3.583 3.363 3.747 1.947 8 10 [-******+**] 1
208 1 13 ALA HA 1 17 LYS H . . 1.800 4.075 4.034 4.127 2.327 10 10 [******-**+] 1
209 1 13 ALA MB 1 14 ALA H . . 1.800 2.927 2.660 3.505 1.705 6 10 [*****+**-*] 1
210 1 13 ALA MB 1 15 ILE H . . 1.800 4.642 4.352 4.947 3.147 6 10 [*****+*-**] 1
211 1 13 ALA MB 1 16 ILE H . . 1.800 4.712 4.688 4.773 2.973 10 10 [*******-*+] 1
212 1 13 ALA MB 1 16 ILE HB . . 1.800 3.885 3.782 3.957 2.157 10 10 [-********+] 1
213 1 13 ALA MB 1 16 ILE MD . . 1.800 3.864 3.544 4.270 2.470 6 10 [*****+*-**] 1
214 1 13 ALA MB 1 16 ILE MG . . 1.800 4.303 4.105 4.469 2.669 8 10 [-******+**] 1
215 1 14 ALA H 1 14 ALA MB . . 1.800 2.333 2.257 2.488 0.688 6 5 "[ -.+* **]" 1
216 1 14 ALA H 1 15 ILE H . . 1.800 2.256 1.869 2.433 0.633 8 6 "[-** * +*1]" 1
217 1 14 ALA H 1 15 ILE HB . . 1.800 4.220 3.810 4.434 2.634 1 10 [+****-****] 1
218 1 14 ALA H 1 16 ILE MD . . 1.800 5.378 5.100 5.533 3.733 6 10 [****-+****] 1
219 1 14 ALA H 1 16 ILE QG . . 1.800 5.037 3.922 5.403 3.603 9 10 [********+-] 1
220 1 14 ALA HA 1 15 ILE H . . 1.800 3.469 3.426 3.508 1.708 2 10 [*+*****-**] 1
221 1 14 ALA HA 1 16 ILE H . . 1.800 4.562 4.371 4.740 2.940 8 10 [*****-*+**] 1
222 1 14 ALA HA 1 17 LYS H . . 1.800 3.336 3.125 3.720 1.920 10 10 [****-****+] 1
223 1 14 ALA HA 1 17 LYS QB . . 1.800 2.460 2.201 2.972 1.172 10 8 "[*** ** *-+]" 1
224 1 14 ALA MB 1 15 ILE H . . 1.800 2.658 2.537 2.930 1.130 8 10 [*******+*-] 1
225 1 14 ALA MB 1 15 ILE HB . . 1.800 4.540 4.336 4.717 2.917 6 10 [**-**+****] 1
226 1 15 ILE H 1 15 ILE MD . . 1.800 3.268 2.544 3.443 1.643 3 10 [**+****-**] 1
227 1 15 ILE H 1 15 ILE QG . . 1.800 2.474 2.221 3.548 1.748 8 6 "[ ** - *+*1]" 1
228 1 15 ILE H 1 15 ILE MG . . 1.800 3.693 3.551 3.776 1.976 7 10 [******+-**] 1
229 1 15 ILE H 1 16 ILE H . . 1.800 2.681 2.446 2.780 0.980 2 10 [*+*****-**] 1
230 1 15 ILE H 1 16 ILE HB . . 1.800 4.454 4.217 4.522 2.722 10 10 [*******-*+] 1
231 1 15 ILE H 1 16 ILE MD . . 1.800 5.395 4.961 5.630 3.830 10 10 [*******-*+] 1
232 1 15 ILE HA 1 15 ILE MD . . 1.800 3.750 2.880 3.921 2.121 4 10 [***+***-**] 1
233 1 15 ILE HA 1 15 ILE QG . . 1.800 2.399 2.310 2.466 0.666 1 10 [+*-*******] 1
234 1 15 ILE HA 1 15 ILE MG . . 1.800 2.477 2.338 2.645 0.845 3 10 [-*+*******] 1
235 1 15 ILE HA 1 16 ILE H . . 1.800 3.565 3.511 3.609 1.809 7 10 [*****-+***] 1
236 1 15 ILE HA 1 18 ALA H . . 1.800 3.364 3.176 3.523 1.723 6 10 [***-*+****] 1
237 1 15 ILE HA 2 8 ALA MB . . 1.800 5.037 4.731 5.332 3.532 3 10 [-*+*******] 1
238 1 15 ILE HB 1 15 ILE MD . . 1.800 2.360 2.276 2.546 0.746 8 8 "[ ****-*+*1]" 1
239 1 15 ILE HB 1 16 ILE H . . 1.800 2.668 2.556 2.825 1.025 8 10 [**-****+**] 1
240 1 15 ILE HB 1 16 ILE HB . . 1.800 4.938 4.777 5.157 3.357 8 10 [**-****+**] 1
241 1 15 ILE HB 2 8 ALA MB . . 1.800 3.182 2.771 3.629 1.829 2 10 [-+********] 1
242 1 15 ILE MD 1 15 ILE QG . . 1.800 1.860 1.791 1.895 0.095 6 0 "[ . 1]" 1
243 1 15 ILE MD 1 15 ILE MG . . 1.800 2.335 2.136 3.209 1.409 8 3 "[ - * + 1]" 1
244 1 15 ILE MD 1 16 ILE H . . 1.800 4.505 4.341 4.673 2.873 2 10 [*+*****-**] 1
245 1 15 ILE MD 2 7 ALA MB . . 1.800 3.912 2.686 5.569 3.769 8 10 [*****-*+**] 1
246 1 15 ILE MD 2 8 ALA MB . . 1.800 3.478 2.962 4.295 2.495 8 10 [****-**+**] 1
247 1 15 ILE MG 1 16 ILE H . . 1.800 3.240 2.920 3.426 1.626 1 10 [+*-*******] 1
248 1 15 ILE MG 2 7 ALA H . . 1.800 4.964 3.886 5.958 4.158 5 10 [****+-****] 1
249 1 15 ILE MG 2 7 ALA MB . . 1.800 3.146 2.212 4.387 2.587 5 8 "[****+ **-]" 1
250 1 15 ILE MG 2 8 ALA H . . 1.800 3.367 2.752 4.363 2.563 5 10 [****+-****] 1
251 1 15 ILE MG 2 8 ALA HA . . 1.800 2.637 2.106 3.667 1.867 5 8 "[-** +*** *]" 1
252 1 15 ILE MG 2 8 ALA MB . . 1.800 2.091 1.954 2.332 0.532 6 2 "[ .+- 1]" 1
253 1 16 ILE H 1 16 ILE MD . . 1.800 3.575 3.451 3.649 1.849 1 10 [+***-*****] 1
254 1 16 ILE H 1 16 ILE QG . . 1.800 2.156 1.966 2.307 0.507 4 1 "[ +. 1]" 1
255 1 16 ILE H 1 16 ILE MG . . 1.800 3.724 3.678 3.770 1.970 9 10 [*-******+*] 1
256 1 16 ILE H 1 17 LYS H . . 1.800 2.963 2.895 3.029 1.229 5 10 [****+*-***] 1
257 1 16 ILE H 1 21 PHE QE . . 1.800 3.574 3.466 3.677 1.877 4 10 [***+*****-] 1
258 1 16 ILE HA 1 16 ILE MD . . 1.800 3.452 2.446 3.779 1.979 5 10 [****+-****] 1
259 1 16 ILE HA 1 16 ILE QG . . 1.800 2.237 2.015 2.538 0.738 10 2 "[ .- +]" 1
260 1 16 ILE HA 1 16 ILE MG . . 1.800 2.546 2.394 2.666 0.866 4 10 [***+*****-] 1
261 1 16 ILE HA 1 17 LYS H . . 1.800 3.507 3.469 3.553 1.753 5 10 [**-*+*****] 1
262 1 16 ILE HA 1 21 PHE QB . . 1.800 3.995 3.567 4.910 3.110 10 10 [***-*****+] 1
263 1 16 ILE HB 1 16 ILE MD . . 1.800 2.654 2.465 3.250 1.450 10 10 [*******-*+] 1
264 1 16 ILE HB 1 17 LYS H . . 1.800 2.569 2.105 2.723 0.923 7 8 "[***** +-*1]" 1
265 1 16 ILE HB 1 17 LYS QB . . 1.800 4.093 3.864 4.186 2.386 1 10 [+********-] 1
266 1 16 ILE HB 1 18 ALA H . . 1.800 4.911 4.534 5.025 3.225 7 10 [******+**-] 1
267 1 16 ILE HB 1 21 PHE QE . . 1.800 4.695 4.560 4.796 2.996 6 10 [*****+-***] 1
268 1 16 ILE MD 1 16 ILE QG . . 1.800 1.879 1.844 1.901 0.101 9 0 "[ . 1]" 1
269 1 16 ILE MD 1 16 ILE MG . . 1.800 2.017 1.923 2.062 0.262 2 0 "[ . 1]" 1
270 1 16 ILE MD 1 17 LYS H . . 1.800 4.748 4.661 4.838 3.038 1 10 [+******-**] 1
271 1 16 ILE MD 1 21 PHE H . . 1.800 4.815 4.525 5.035 3.235 4 10 [***+***-**] 1
272 1 16 ILE MD 1 21 PHE HA . . 1.800 5.726 5.555 5.854 4.054 7 10 [******+**-] 1
273 1 16 ILE MD 1 21 PHE QB . . 1.800 3.484 3.098 4.589 2.789 6 10 [*****+**-*] 1
274 1 16 ILE MD 1 21 PHE QD . . 1.800 3.749 3.293 4.026 2.226 4 10 [***+*-****] 1
275 1 16 ILE MD 1 21 PHE QE . . 1.800 4.016 3.436 4.285 2.485 4 10 [***+*-****] 1
276 1 16 ILE MD 1 21 PHE HZ . . 1.800 4.866 4.447 5.108 3.308 3 10 [**+******-] 1
277 1 16 ILE MD 4 9 ILE MD . . 1.800 2.601 2.392 2.940 1.140 9 10 [-*******+*] 1
278 1 16 ILE MD 4 9 ILE MG . . 1.800 1.955 1.876 2.018 0.218 10 0 "[ . 1]" 1
279 1 16 ILE MD 4 13 ALA H . . 1.800 4.010 3.870 4.250 2.450 1 10 [+****-****] 1
280 1 16 ILE QG 1 17 LYS H . . 1.800 4.111 3.812 4.234 2.434 5 10 [****+****-] 1
281 1 16 ILE QG 1 21 PHE H . . 1.800 4.259 3.534 5.861 4.061 10 10 [*******-*+] 1
282 1 16 ILE QG 1 21 PHE QD . . 1.800 2.964 2.481 4.419 2.619 10 10 [**-******+] 1
283 1 16 ILE QG 1 21 PHE QE . . 1.800 2.957 2.625 3.590 1.790 6 10 [*****+-***] 1
284 1 16 ILE QG 1 21 PHE HZ . . 1.800 4.000 3.597 4.977 3.177 6 10 [****-+****] 1
285 1 16 ILE MG 1 17 LYS H . . 1.800 3.051 2.903 3.198 1.398 3 10 [**+******-] 1
286 1 16 ILE MG 1 17 LYS HA . . 1.800 3.307 3.075 3.478 1.678 3 10 [**+**-****] 1
287 1 16 ILE MG 1 17 LYS QB . . 1.800 3.862 3.610 4.113 2.313 6 10 [***-*+****] 1
288 1 16 ILE MG 1 17 LYS QD . . 1.800 4.907 4.589 5.115 3.315 8 10 [*******+*-] 1
289 1 16 ILE MG 1 20 GLY H . . 1.800 3.802 3.342 4.217 2.417 6 10 [*****+*-**] 1
290 1 16 ILE MG 1 21 PHE H . . 1.800 3.038 2.486 3.760 1.960 10 10 [*******-*+] 1
291 1 16 ILE MG 1 21 PHE HA . . 1.800 4.783 4.646 4.876 3.076 10 10 [***-*****+] 1
292 1 16 ILE MG 1 21 PHE QB . . 1.800 2.865 2.204 4.587 2.787 6 9 "[*** *+**-*]" 1
293 1 16 ILE MG 1 21 PHE QD . . 1.800 2.801 2.485 3.060 1.260 5 10 [**-*+*****] 1
294 1 16 ILE MG 1 21 PHE QE . . 1.800 4.094 3.990 4.226 2.426 5 10 [****+****-] 1
295 1 16 ILE MG 1 21 PHE HZ . . 1.800 5.701 5.646 5.755 3.955 6 10 [****-+****] 1
296 1 16 ILE MG 4 9 ILE MD . . 1.800 4.368 4.168 4.626 2.826 9 10 [***-****+*] 1
297 1 16 ILE MG 4 9 ILE MG . . 1.800 2.844 2.582 2.954 1.154 3 10 [**+*-*****] 1
298 1 16 ILE MG 4 13 ALA H . . 1.800 5.094 4.741 5.227 3.427 7 10 [****-*+***] 1
299 1 17 LYS H 1 17 LYS QD . . 1.800 4.313 3.664 4.567 2.767 5 10 [****+****-] 1
300 1 17 LYS H 1 17 LYS QE . . 1.800 4.591 4.158 5.480 3.680 7 10 [*****-+***] 1
301 1 17 LYS H 1 17 LYS QG . . 1.800 3.488 1.916 3.896 2.096 1 8 "[+*-** ***1]" 1
302 1 17 LYS H 1 18 ALA H . . 1.800 2.748 2.556 2.876 1.076 8 10 [*******+*-] 1
303 1 17 LYS HA 1 17 LYS QE . . 1.800 3.522 3.014 4.498 2.698 10 10 [****-****+] 1
304 1 17 LYS HA 1 20 GLY H . . 1.800 4.124 3.599 4.572 2.772 8 10 [*****-*+**] 1
305 1 17 LYS QB 1 17 LYS QD . . 1.800 2.557 2.112 2.827 1.027 5 8 "[****+ -**1]" 1
306 1 17 LYS QB 1 17 LYS QE . . 1.800 2.716 2.010 3.552 1.752 3 4 "[ + .*- *]" 1
307 1 17 LYS QB 1 17 LYS QG . . 1.800 2.001 1.959 2.085 0.285 6 0 "[ . 1]" 1
308 1 17 LYS QB 1 17 LYS QZ . . 1.800 3.700 3.048 4.254 2.454 3 10 [*-+*******] 1
309 1 17 LYS QB 1 18 ALA H . . 1.800 2.861 2.338 3.033 1.233 1 10 [+****-****] 1
310 1 17 LYS QD 1 17 LYS QE . . 1.800 2.015 1.884 2.097 0.297 5 0 "[ . 1]" 1
311 1 17 LYS QD 1 17 LYS QZ . . 1.800 2.079 1.922 2.291 0.491 2 0 "[ . 1]" 1
312 1 17 LYS QD 1 18 ALA H . . 1.800 4.716 4.602 4.853 3.053 4 10 [***+-*****] 1
313 1 17 LYS QE 1 17 LYS QG . . 1.800 2.209 1.946 2.725 0.925 2 1 "[ + . 1]" 1
314 1 17 LYS QE 1 17 LYS QZ . . 1.800 1.709 1.372 1.857 0.057 5 0 "[ . 1]" 1
315 1 17 LYS QG 1 17 LYS QZ . . 1.800 3.134 2.248 3.431 1.631 5 9 "[* **+-****]" 1
316 1 17 LYS QG 1 18 ALA H . . 1.800 3.724 3.587 3.887 2.087 6 10 [**-**+****] 1
317 1 18 ALA H 1 18 ALA MB . . 1.800 2.239 2.185 2.305 0.505 9 1 "[ . +1]" 1
318 1 18 ALA H 1 19 GLY H . . 1.800 2.472 2.388 2.608 0.808 6 10 [**-**+****] 1
319 1 18 ALA H 1 19 GLY QA . . 1.800 4.295 4.156 4.424 2.624 6 10 [**-**+****] 1
320 1 18 ALA HA 1 19 GLY H . . 1.800 3.562 3.520 3.615 1.815 4 10 [*-*+******] 1
321 1 18 ALA MB 1 19 GLY H . . 1.800 2.538 2.425 2.680 0.880 6 10 [*****+-***] 1
322 1 18 ALA MB 1 21 PHE QE . . 1.800 4.860 4.618 5.105 3.305 6 10 [****-+****] 1
323 1 19 GLY H 1 20 GLY H . . 1.800 2.822 2.633 2.964 1.164 3 10 [**+**-****] 1
324 1 19 GLY H 1 20 GLY QA . . 1.800 4.632 4.524 4.717 2.917 3 10 [**+**-****] 1
325 1 19 GLY H 1 21 PHE QD . . 1.800 3.835 3.644 4.025 2.225 10 10 [***-*****+] 1
326 1 19 GLY H 1 21 PHE QE . . 1.800 3.354 3.117 3.616 1.816 6 10 [****-+****] 1
327 1 19 GLY H 1 21 PHE HZ . . 1.800 5.453 5.357 5.507 3.707 9 10 [****-***+*] 1
328 1 19 GLY QA 1 20 GLY H . . 1.800 2.704 2.483 2.891 1.091 5 10 [****+****-] 1
329 1 19 GLY QA 1 21 PHE QD . . 1.800 3.016 2.892 3.245 1.445 10 10 [**-******+] 1
330 1 19 GLY QA 1 21 PHE QE . . 1.800 2.817 2.444 3.148 1.348 10 10 [*-*******+] 1
331 1 19 GLY QA 1 21 PHE HZ . . 1.800 4.291 4.002 4.490 2.690 8 10 [*-*****+**] 1
332 1 20 GLY H 1 21 PHE HA . . 1.800 4.919 4.714 5.141 3.341 2 10 [*+*****-**] 1
333 1 20 GLY H 1 21 PHE QB . . 1.800 4.507 4.417 4.620 2.820 5 10 [***-+*****] 1
334 1 20 GLY QA 1 21 PHE H . . 1.800 2.718 2.468 2.945 1.145 10 10 [*******-*+] 1
335 1 21 PHE H 4 9 ILE MD . . 1.800 5.460 5.224 5.637 3.837 9 10 [********+-] 1
336 1 21 PHE HA 4 9 ILE MD . . 1.800 5.155 4.975 5.349 3.549 6 10 [**-**+****] 1
337 1 21 PHE QB 4 9 ILE MD . . 1.800 3.200 2.965 3.629 1.829 6 10 [****-+****] 1
338 1 21 PHE QB 4 9 ILE MG . . 1.800 2.181 1.886 3.139 1.339 6 2 "[ .+ -]" 1
339 1 21 PHE QD 2 4 ALA H . . 1.800 5.275 4.808 5.680 3.880 3 10 [**+******-] 1
340 1 21 PHE QD 2 4 ALA HA . . 1.800 6.474 6.249 6.663 4.863 3 10 [**+******-] 1
341 1 21 PHE QD 2 4 ALA MB . . 1.800 3.724 3.575 3.875 2.075 2 10 [*+*******-] 1
342 1 21 PHE QD 2 5 ALA H . . 1.800 5.129 4.659 5.543 3.743 3 10 [**+**-****] 1
343 1 21 PHE QD 2 5 ALA HA . . 1.800 4.314 3.841 4.662 2.862 6 10 [****-+****] 1
344 1 21 PHE QD 2 5 ALA MB . . 1.800 3.358 2.790 3.965 2.165 3 10 [*-+*******] 1
345 1 21 PHE QD 2 8 ALA H . . 1.800 6.524 6.453 6.646 4.846 4 10 [**-+******] 1
346 1 21 PHE QD 2 8 ALA HA . . 1.800 7.240 7.031 7.407 5.607 5 10 [**-*+*****] 1
347 1 21 PHE QD 4 5 ALA MB . . 1.800 3.196 2.499 3.882 2.082 8 10 [**-****+**] 1
348 1 21 PHE QD 4 9 ILE MD . . 1.800 2.706 2.243 3.092 1.292 6 9 [****.+*-**] 1
349 1 21 PHE QD 4 9 ILE MG . . 1.800 3.231 2.907 3.466 1.666 4 10 [***+-*****] 1
350 1 21 PHE QE 2 2 ALA HA . . 1.800 4.105 2.846 6.357 4.557 3 10 [**+-******] 1
351 1 21 PHE QE 2 3 LYS H . . 1.800 6.073 5.799 6.294 4.494 6 10 [***-*+****] 1
352 1 21 PHE QE 2 4 ALA MB . . 1.800 2.702 2.581 2.851 1.051 9 10 [*******-+*] 1
353 1 21 PHE QE 2 5 ALA HA . . 1.800 2.163 2.034 2.387 0.587 6 2 "[ .+ -]" 1
354 1 21 PHE QE 2 5 ALA MB . . 1.800 2.371 2.155 2.758 0.958 5 6 "[ ***+ *- 1]" 1
355 1 21 PHE QE 2 8 ALA HA . . 1.800 5.237 5.102 5.339 3.539 8 10 [***-***+**] 1
356 1 21 PHE QE 4 9 ILE MD . . 1.800 3.029 2.752 3.345 1.545 5 10 [****+****-] 1
357 1 21 PHE QE 4 9 ILE MG . . 1.800 4.338 4.188 4.571 2.771 4 10 [**-+******] 1
358 1 21 PHE HZ 2 4 ALA H . . 1.800 4.856 4.634 5.080 3.280 6 10 [*****+***-] 1
359 1 21 PHE HZ 2 4 ALA HA . . 1.800 4.629 4.375 4.833 3.033 9 10 [-*******+*] 1
360 1 21 PHE HZ 2 4 ALA MB . . 1.800 2.665 2.375 2.880 1.080 3 10 [*-+*******] 1
361 1 21 PHE HZ 2 5 ALA H . . 1.800 4.247 3.851 4.474 2.674 5 10 [****+-****] 1
362 1 21 PHE HZ 2 5 ALA HA . . 1.800 2.735 2.313 3.359 1.559 2 10 [*+****-***] 1
363 1 21 PHE HZ 2 5 ALA MB . . 1.800 3.879 3.812 3.939 2.139 10 10 [******-**+] 1
364 1 21 PHE HZ 2 8 ALA HA . . 1.800 4.602 4.437 4.795 2.995 5 10 [****+****-] 1
365 1 21 PHE HZ 2 9 ILE MD . . 1.800 4.733 4.648 4.866 3.066 7 10 [******+-**] 1
366 1 21 PHE HZ 4 9 ILE MG . . 1.800 5.407 5.206 5.576 3.776 4 10 [**-+******] 1
367 2 2 ALA H 2 4 ALA H . . 1.800 4.299 3.419 4.775 2.975 6 10 [**-**+****] 1
368 2 2 ALA H 2 5 ALA MB . . 1.800 4.819 4.409 5.516 3.716 3 10 [*-+*******] 1
369 2 2 ALA MB 2 4 ALA MB . . 1.800 4.612 2.526 4.928 3.128 7 10 [*****-+***] 1
370 2 3 LYS H 2 3 LYS QD . . 1.800 3.883 3.492 4.339 2.539 3 10 [**+******-] 1
371 2 3 LYS H 2 3 LYS QE . . 1.800 4.258 3.475 4.988 3.188 3 10 [**+**-****] 1
372 2 3 LYS H 2 3 LYS QG . . 1.800 2.314 2.127 2.838 1.038 3 4 "[- + * * 1]" 1
373 2 3 LYS H 2 4 ALA H . . 1.800 2.600 1.913 2.873 1.073 6 9 "[** *-+****]" 1
374 2 3 LYS H 2 5 ALA H . . 1.800 4.152 3.944 4.315 2.515 6 10 [****-+****] 1
375 2 3 LYS H 2 5 ALA MB . . 1.800 4.716 4.569 4.904 3.104 3 10 [*-+*******] 1
376 2 3 LYS HA 2 3 LYS QD . . 1.800 3.791 2.304 4.163 2.363 5 10 [****+****-] 1
377 2 3 LYS HA 2 3 LYS QE . . 1.800 4.428 3.969 4.696 2.896 2 10 [*+**-*****] 1
378 2 3 LYS HA 2 3 LYS QG . . 1.800 2.448 2.275 2.962 1.162 10 9 "[ ****-***+]" 1
379 2 3 LYS HA 2 4 ALA H . . 1.800 3.436 3.307 3.498 1.698 9 10 [*****-**+*] 1
380 2 3 LYS HA 2 5 ALA H . . 1.800 3.625 2.928 3.914 2.114 9 10 [*****-**+*] 1
381 2 3 LYS HA 2 5 ALA MB . . 1.800 4.425 3.137 4.808 3.008 10 10 [*****-***+] 1
382 2 3 LYS QB 2 3 LYS QD . . 1.800 2.197 2.055 2.381 0.581 6 4 "[ *-+ *]" 1
383 2 3 LYS QB 2 3 LYS QE . . 1.800 3.076 2.073 3.593 1.793 10 7 "[*** . **-+]" 1
384 2 3 LYS QB 2 3 LYS QG . . 1.800 2.075 1.996 2.115 0.315 3 0 "[ . 1]" 1
385 2 3 LYS QB 2 4 ALA H . . 1.800 2.821 2.601 3.245 1.445 6 10 [*****+**-*] 1
386 2 3 LYS QB 2 5 ALA H . . 1.800 4.503 4.343 4.564 2.764 5 10 [****+-****] 1
387 2 3 LYS QD 2 3 LYS QE . . 1.800 2.041 2.013 2.092 0.292 10 0 "[ . 1]" 1
388 2 3 LYS QE 2 3 LYS QG . . 1.800 2.139 2.064 2.285 0.485 5 0 "[ . 1]" 1
389 2 4 ALA H 2 4 ALA MB . . 1.800 2.100 2.031 2.181 0.381 4 0 "[ . 1]" 1
390 2 4 ALA H 2 5 ALA H . . 1.800 2.724 2.644 2.809 1.009 3 10 [**+***-***] 1
391 2 4 ALA H 2 5 ALA MB . . 1.800 4.097 3.939 4.335 2.535 3 10 [**+******-] 1
392 2 4 ALA HA 2 5 ALA H . . 1.800 3.352 3.243 3.526 1.726 6 10 [*****+***-] 1
393 2 4 ALA HA 2 7 ALA H . . 1.800 3.945 3.570 4.364 2.564 8 10 [*****-*+**] 1
394 2 4 ALA MB 2 5 ALA H . . 1.800 3.232 2.913 3.366 1.566 4 10 [***+*-****] 1
395 2 4 ALA MB 2 5 ALA HA . . 1.800 3.816 3.637 3.995 2.195 6 10 [****-+****] 1
396 2 5 ALA H 2 5 ALA MB . . 1.800 2.203 2.125 2.275 0.475 10 0 "[ . 1]" 1
397 2 5 ALA H 2 6 ALA H . . 1.800 2.953 2.836 3.082 1.282 4 10 [***+*****-] 1
398 2 5 ALA H 2 6 ALA HA . . 1.800 5.456 5.378 5.573 3.773 7 10 [******+-**] 1
399 2 5 ALA H 2 7 ALA H . . 1.800 4.437 4.136 4.543 2.743 1 10 [+****-****] 1
400 2 5 ALA H 2 9 ILE MD . . 1.800 5.979 5.639 6.258 4.458 4 10 [*-*+******] 1
401 2 5 ALA HA 2 6 ALA H . . 1.800 3.442 3.037 3.566 1.766 6 10 [*-***+****] 1
402 2 5 ALA HA 2 7 ALA H . . 1.800 4.296 3.695 4.529 2.729 5 10 [****+-****] 1
403 2 5 ALA HA 2 8 ALA H . . 1.800 3.243 3.007 3.395 1.595 3 10 [**+****-**] 1
404 2 5 ALA HA 2 8 ALA MB . . 1.800 2.791 2.493 2.967 1.167 1 10 [+******-**] 1
405 2 5 ALA HA 2 9 ILE H . . 1.800 3.668 3.245 3.897 2.097 7 10 [*****-+***] 1
406 2 5 ALA HA 2 9 ILE MD . . 1.800 3.772 3.218 4.067 2.267 5 10 [*-**+*****] 1
407 2 5 ALA MB 2 6 ALA H . . 1.800 2.851 2.402 3.623 1.823 2 10 [*+-*******] 1
408 2 5 ALA MB 2 6 ALA HA . . 1.800 4.045 3.832 4.443 2.643 2 10 [*+*-******] 1
409 2 5 ALA MB 2 6 ALA MB . . 1.800 4.015 3.750 4.470 2.670 10 10 [***-*****+] 1
410 2 5 ALA MB 2 7 ALA H . . 1.800 4.699 4.286 5.124 3.324 2 10 [*+***-****] 1
411 2 5 ALA MB 2 9 ILE MD . . 1.800 3.338 3.075 3.679 1.879 1 10 [+******-**] 1
412 2 5 ALA MB 2 9 ILE QG . . 1.800 2.852 2.282 3.528 1.728 2 9 "[*+***-* **]" 1
413 2 5 ALA MB 2 9 ILE MG . . 1.800 4.836 4.261 5.388 3.588 2 10 [*+*****-**] 1
414 2 5 ALA MB 3 21 PHE QD . . 1.800 3.177 2.659 3.603 1.803 3 10 [-*+*******] 1
415 2 6 ALA H 2 6 ALA MB . . 1.800 2.272 2.166 2.524 0.724 2 3 "[*+ . -]" 1
416 2 6 ALA H 2 7 ALA H . . 1.800 2.620 1.976 2.934 1.134 3 7 "[ +*****-1]" 1
417 2 6 ALA H 2 10 LYS QG . . 1.800 5.671 5.490 5.812 4.012 4 10 [***+*-****] 1
418 2 6 ALA HA 2 7 ALA H . . 1.800 3.467 3.287 3.543 1.743 10 10 [*****-***+] 1
419 2 6 ALA HA 2 9 ILE H . . 1.800 3.750 3.462 4.093 2.293 6 10 [*****+-***] 1
420 2 6 ALA HA 2 9 ILE MD . . 1.800 5.014 4.281 5.445 3.645 5 10 [*-**+*****] 1
421 2 6 ALA HA 2 9 ILE MG . . 1.800 4.390 4.184 4.526 2.726 5 10 [****+*-***] 1
422 2 6 ALA HA 2 10 LYS H . . 1.800 3.788 3.586 4.009 2.209 1 10 [+*****-***] 1
423 2 7 ALA H 2 7 ALA MB . . 1.800 2.226 2.149 2.322 0.522 6 1 "[ .+ 1]" 1
424 2 7 ALA H 2 8 ALA H . . 1.800 2.789 2.227 3.017 1.217 1 9 "[+**** *-**]" 1
425 2 7 ALA H 2 8 ALA HA . . 1.800 5.358 4.864 5.525 3.725 1 10 [+****-****] 1
426 2 7 ALA H 2 8 ALA MB . . 1.800 4.407 3.987 4.649 2.849 10 10 [*****-***+] 1
427 2 7 ALA H 2 9 ILE H . . 1.800 4.258 3.863 4.507 2.707 5 10 [****+-****] 1
428 2 7 ALA H 2 10 LYS QB . . 1.800 4.878 4.654 4.967 3.167 5 10 [****+****-] 1
429 2 7 ALA HA 2 8 ALA H . . 1.800 3.577 3.516 3.635 1.835 9 10 [*-******+*] 1
430 2 7 ALA HA 2 10 LYS H . . 1.800 3.909 3.534 4.145 2.345 5 10 [*-**+*****] 1
431 2 7 ALA HA 2 11 ALA H . . 1.800 4.264 3.851 4.549 2.749 8 10 [*******+*-] 1
432 2 7 ALA MB 2 8 ALA H . . 1.800 2.802 2.629 2.979 1.179 9 10 [********+-] 1
433 2 8 ALA H 2 8 ALA MB . . 1.800 2.179 2.097 2.248 0.448 5 0 "[ . 1]" 1
434 2 8 ALA H 2 9 ILE H . . 1.800 2.386 2.275 2.515 0.715 10 9 [***-.****+] 1
435 2 8 ALA H 2 9 ILE MD . . 1.800 4.745 4.296 5.130 3.330 5 10 [**-*+*****] 1
436 2 8 ALA H 2 9 ILE MG . . 1.800 5.619 5.533 5.695 3.895 10 10 [****-****+] 1
437 2 8 ALA HA 2 9 ILE H . . 1.800 3.498 3.398 3.581 1.781 3 10 [-*+*******] 1
438 2 8 ALA HA 2 10 LYS H . . 1.800 4.577 4.480 4.648 2.848 10 10 [*******-*+] 1
439 2 8 ALA MB 2 9 ILE H . . 1.800 2.511 2.352 2.659 0.859 10 10 [*******-*+] 1
440 2 8 ALA MB 2 9 ILE MD . . 1.800 3.163 2.815 3.508 1.708 5 10 [**-*+*****] 1
441 2 8 ALA MB 2 9 ILE QG . . 1.800 2.931 2.465 3.676 1.876 7 10 [******+-**] 1
442 2 8 ALA MB 2 9 ILE MG . . 1.800 4.742 4.607 4.910 3.110 7 10 [******+*-*] 1
443 2 8 ALA MB 2 11 ALA H . . 1.800 4.785 4.635 4.873 3.073 5 10 [****+-****] 1
444 2 9 ILE H 2 9 ILE MD . . 1.800 3.204 2.594 3.524 1.724 1 10 [+*-*******] 1
445 2 9 ILE H 2 9 ILE QG . . 1.800 2.030 1.906 2.205 0.405 7 0 "[ . 1]" 1
446 2 9 ILE H 2 9 ILE MG . . 1.800 3.691 3.609 3.769 1.969 4 10 [***+*-****] 1
447 2 9 ILE H 2 10 LYS H . . 1.800 2.570 2.343 2.782 0.982 3 10 [**+******-] 1
448 2 9 ILE HA 2 9 ILE MD . . 1.800 2.339 2.227 2.465 0.665 7 8 "[ **** +**-]" 1
449 2 9 ILE HA 2 9 ILE QG . . 1.800 3.012 2.805 3.234 1.434 7 10 [******+*-*] 1
450 2 9 ILE HA 2 9 ILE MG . . 1.800 2.298 2.058 2.511 0.711 6 5 "[ *+*- *]" 1
451 2 9 ILE HA 2 10 LYS H . . 1.800 3.523 3.492 3.550 1.750 5 10 [*-**+*****] 1
452 2 9 ILE HB 2 9 ILE MD . . 1.800 3.244 3.199 3.278 1.478 10 10 [******-**+] 1
453 2 9 ILE HB 2 13 ALA H . . 1.800 5.173 5.075 5.283 3.483 6 10 [*-***+****] 1
454 2 9 ILE MD 2 9 ILE QG . . 1.800 1.872 1.829 1.887 0.087 3 0 "[ . 1]" 1
455 2 9 ILE MD 2 10 LYS H . . 1.800 4.704 4.465 4.911 3.111 9 10 [**-*****+*] 1
456 2 9 ILE MD 2 12 ILE H . . 1.800 5.169 4.907 5.485 3.685 7 10 [******+**-] 1
457 2 9 ILE MD 2 12 ILE HB . . 1.800 4.921 4.105 5.404 3.604 4 10 [***+***-**] 1
458 2 9 ILE MD 2 13 ALA H . . 1.800 5.087 4.932 5.232 3.432 7 10 [****-*+***] 1
459 2 9 ILE MD 2 13 ALA MB . . 1.800 4.620 4.471 4.798 2.998 8 10 [***-***+**] 1
460 2 9 ILE MD 3 16 ILE MD . . 1.800 2.568 2.282 2.911 1.111 7 9 "[***** +*-*]" 1
461 2 9 ILE MD 3 16 ILE MG . . 1.800 4.299 4.154 4.550 2.750 7 10 [******+**-] 1
462 2 9 ILE MD 3 21 PHE H . . 1.800 5.430 5.296 5.587 3.787 7 10 [*****-+***] 1
463 2 9 ILE MD 3 21 PHE HA . . 1.800 5.112 4.940 5.301 3.501 6 10 [**-**+****] 1
464 2 9 ILE MD 3 21 PHE QB . . 1.800 3.120 2.933 3.459 1.659 2 10 [*+**-*****] 1
465 2 9 ILE MD 3 21 PHE QD . . 1.800 2.650 2.267 2.988 1.188 1 9 "[+***-** **]" 1
466 2 9 ILE MD 3 21 PHE QE . . 1.800 2.926 2.445 3.393 1.593 5 10 [**-*+*****] 1
467 2 9 ILE QG 2 9 ILE MG . . 1.800 2.341 2.139 2.495 0.695 9 7 "[*- ** *+*]" 1
468 2 9 ILE QG 2 10 LYS H . . 1.800 3.839 3.547 3.997 2.197 1 10 [+-********] 1
469 2 9 ILE MG 2 10 LYS H . . 1.800 3.561 3.418 3.656 1.856 10 10 [*****-***+] 1
470 2 9 ILE MG 2 10 LYS HA . . 1.800 3.761 3.507 3.993 2.193 10 10 [****-****+] 1
471 2 9 ILE MG 2 10 LYS QB . . 1.800 4.800 4.707 4.864 3.064 8 10 [****-**+**] 1
472 2 9 ILE MG 2 10 LYS QG . . 1.800 3.781 3.574 3.988 2.188 1 10 [+***-*****] 1
473 2 9 ILE MG 2 11 ALA H . . 1.800 5.058 4.884 5.277 3.477 6 10 [*****+**-*] 1
474 2 9 ILE MG 2 12 ILE HB . . 1.800 5.090 4.294 5.474 3.674 10 10 [*******-*+] 1
475 2 9 ILE MG 3 16 ILE MD . . 1.800 2.041 1.887 2.242 0.442 3 0 "[ . 1]" 1
476 2 9 ILE MG 3 16 ILE MG . . 1.800 2.867 2.533 3.082 1.282 6 10 [****-+****] 1
477 2 9 ILE MG 3 21 PHE QB . . 1.800 2.117 1.894 3.144 1.344 2 1 "[ + . 1]" 1
478 2 9 ILE MG 3 21 PHE QD . . 1.800 3.309 2.986 3.507 1.707 7 10 [******+-**] 1
479 2 9 ILE MG 3 21 PHE QE . . 1.800 4.416 4.224 4.555 2.755 7 10 [*-****+***] 1
480 2 9 ILE MG 3 21 PHE HZ . . 1.800 5.507 5.258 5.635 3.835 3 10 [*-+*******] 1
481 2 10 LYS H 2 10 LYS QD . . 1.800 3.871 3.592 4.336 2.536 7 10 [*****-+***] 1
482 2 10 LYS H 2 10 LYS QE . . 1.800 4.468 3.630 4.826 3.026 8 10 [******-+**] 1
483 2 10 LYS H 2 10 LYS QG . . 1.800 2.495 2.312 2.654 0.854 8 10 [*****-*+**] 1
484 2 10 LYS H 2 11 ALA H . . 1.800 2.640 2.497 2.743 0.943 6 10 [*****+***-] 1
485 2 10 LYS H 2 13 ALA MB . . 1.800 4.940 4.650 5.097 3.297 10 10 [-********+] 1
486 2 10 LYS HA 2 10 LYS QD . . 1.800 3.737 2.152 4.019 2.219 1 9 "[+**** *-**]" 1
487 2 10 LYS HA 2 10 LYS QE . . 1.800 4.407 4.027 4.557 2.757 8 10 [*****-*+**] 1
488 2 10 LYS HA 2 10 LYS QG . . 1.800 2.366 2.190 2.911 1.111 6 7 "[***-.+ **]" 1
489 2 10 LYS HA 2 11 ALA H . . 1.800 3.482 3.415 3.560 1.760 6 10 [*****+***-] 1
490 2 10 LYS HA 2 12 ILE H . . 1.800 4.105 3.742 4.610 2.810 2 10 [*+-*******] 1
491 2 10 LYS HA 2 13 ALA H . . 1.800 3.705 3.515 3.866 2.066 10 10 [*******-*+] 1
492 2 10 LYS HA 2 13 ALA MB . . 1.800 3.396 2.983 3.830 2.030 7 10 [-*****+***] 1
493 2 10 LYS QB 2 10 LYS QD . . 1.800 2.158 2.061 2.355 0.555 6 2 "[ .+- 1]" 1
494 2 10 LYS QB 2 10 LYS QE . . 1.800 3.319 2.082 3.558 1.758 6 9 "[****-+ ***]" 1
495 2 10 LYS QB 2 10 LYS QG . . 1.800 2.107 1.994 2.135 0.335 7 0 "[ . 1]" 1
496 2 10 LYS QB 2 10 LYS QZ . . 1.800 3.784 3.283 4.219 2.419 6 10 [*****+*-**] 1
497 2 10 LYS QB 2 11 ALA H . . 1.800 2.756 2.563 2.973 1.173 2 10 [*+***-****] 1
498 2 10 LYS QD 2 10 LYS QG . . 1.800 2.053 1.952 2.110 0.310 1 0 "[ . 1]" 1
499 2 10 LYS QD 2 10 LYS QZ . . 1.800 2.018 1.538 2.158 0.358 7 0 "[ . 1]" 1
500 2 10 LYS QE 2 10 LYS QZ . . 1.800 1.632 0.963 1.840 0.040 4 0 "[ . 1]" 1
501 2 10 LYS QG 2 10 LYS QZ . . 1.800 3.176 2.767 3.485 1.685 7 10 [******+**-] 1
502 2 11 ALA H 2 11 ALA MB . . 1.800 2.219 2.118 2.274 0.474 7 0 "[ . 1]" 1
503 2 11 ALA H 2 12 ILE H . . 1.800 2.764 2.563 2.934 1.134 1 10 [+*-*******] 1
504 2 11 ALA H 2 15 ILE MD . . 1.800 4.683 4.396 4.960 3.160 5 10 [****+*-***] 1
505 2 11 ALA HA 2 12 ILE H . . 1.800 3.441 3.232 3.643 1.843 2 10 [*+-*******] 1
506 2 11 ALA HA 2 13 ALA H . . 1.800 5.056 4.795 5.216 3.416 7 10 [****-*+***] 1
507 2 11 ALA HA 2 15 ILE MD . . 1.800 2.709 2.259 3.548 1.748 5 7 "[** -+ ***]" 1
508 2 12 ILE H 2 12 ILE MD . . 1.800 4.515 4.361 4.768 2.968 4 10 [***+*****-] 1
509 2 12 ILE H 2 12 ILE QG . . 1.800 3.797 3.646 3.971 2.171 4 10 [***+*****-] 1
510 2 12 ILE H 2 12 ILE MG . . 1.800 2.664 2.147 3.148 1.348 3 7 "[ + *****-]" 1
511 2 12 ILE H 2 13 ALA H . . 1.800 2.537 2.123 2.892 1.092 10 8 "[ ** **-**+]" 1
512 2 12 ILE HA 2 12 ILE MD . . 1.800 2.935 2.354 3.681 1.881 2 10 [*+****-***] 1
513 2 12 ILE HA 2 12 ILE QG . . 1.800 2.208 2.098 2.303 0.503 5 1 "[ + 1]" 1
514 2 12 ILE HA 2 12 ILE MG . . 1.800 3.158 3.075 3.200 1.400 2 10 [*+-*******] 1
515 2 12 ILE HA 2 13 ALA H . . 1.800 3.586 3.506 3.633 1.833 1 10 [+********-] 1
516 2 12 ILE HA 2 15 ILE H . . 1.800 3.368 3.181 3.522 1.722 7 10 [****-*+***] 1
517 2 12 ILE HA 2 15 ILE HB . . 1.800 2.393 2.191 2.526 0.726 4 7 "[* *+.*** -]" 1
518 2 12 ILE HA 2 15 ILE QG . . 1.800 3.811 3.563 4.104 2.304 6 10 [****-+****] 1
519 2 12 ILE HA 2 15 ILE MG . . 1.800 3.555 3.097 3.875 2.075 1 10 [+*-*******] 1
520 2 12 ILE HA 2 16 ILE H . . 1.800 3.619 3.583 3.652 1.852 4 10 [***+**-***] 1
521 2 12 ILE HB 2 12 ILE MD . . 1.800 2.927 2.452 3.238 1.438 3 10 [-*+*******] 1
522 2 12 ILE HB 2 15 ILE MG . . 1.800 5.482 5.315 5.610 3.810 8 10 [**-****+**] 1
523 2 12 ILE MD 2 12 ILE MG . . 1.800 2.145 2.056 2.211 0.411 7 0 "[ . 1]" 1
524 2 12 ILE QG 2 13 ALA H . . 1.800 4.326 3.602 4.674 2.874 5 10 [-***+*****] 1
525 2 12 ILE QG 2 15 ILE MD . . 1.800 4.260 3.081 5.135 3.335 6 10 [****-+****] 1
526 2 12 ILE QG 2 15 ILE MG . . 1.800 3.926 3.729 4.102 2.302 7 10 [*-****+***] 1
527 2 12 ILE MG 2 13 ALA H . . 1.800 2.306 2.239 2.360 0.560 3 6 "[ +*. **-*]" 1
528 2 12 ILE MG 2 13 ALA HA . . 1.800 3.291 2.971 3.481 1.681 2 10 [*+-*******] 1
529 2 12 ILE MG 2 13 ALA MB . . 1.800 3.039 2.829 3.187 1.387 9 10 [*-******+*] 1
530 2 12 ILE MG 2 16 ILE HB . . 1.800 4.614 4.237 5.104 3.304 2 10 [*+-*******] 1
531 2 12 ILE MG 2 16 ILE MG . . 1.800 4.974 4.599 5.264 3.464 1 10 [+*-*******] 1
532 2 13 ALA H 2 13 ALA MB . . 1.800 2.192 2.117 2.273 0.473 10 0 "[ . 1]" 1
533 2 13 ALA H 2 14 ALA H . . 1.800 2.658 2.524 2.771 0.971 2 10 [*+*******-] 1
534 2 13 ALA H 2 16 ILE HB . . 1.800 4.920 4.815 5.111 3.311 2 10 [-+********] 1
535 2 13 ALA H 3 16 ILE MD . . 1.800 4.019 3.720 4.315 2.515 2 10 [*+****-***] 1
536 2 13 ALA H 3 16 ILE MG . . 1.800 5.048 4.595 5.228 3.428 4 10 [***+***-**] 1
537 2 13 ALA HA 2 14 ALA H . . 1.800 3.392 3.012 3.484 1.684 9 10 [*-******+*] 1
538 2 13 ALA HA 2 16 ILE H . . 1.800 3.419 3.370 3.485 1.685 10 10 [-********+] 1
539 2 13 ALA HA 2 16 ILE HB . . 1.800 2.387 2.272 2.558 0.758 3 8 "[ *+ -*****]" 1
540 2 13 ALA HA 2 16 ILE MD . . 1.800 2.785 2.474 3.760 1.960 2 10 [*+*****-**] 1
541 2 13 ALA HA 2 16 ILE QG . . 1.800 3.386 2.038 3.695 1.895 10 9 "[- *******+]" 1
542 2 13 ALA HA 2 16 ILE MG . . 1.800 3.643 3.449 3.841 2.041 3 10 [*-+*******] 1
543 2 13 ALA HA 2 17 LYS H . . 1.800 4.065 3.939 4.202 2.402 3 10 [**+*-*****] 1
544 2 13 ALA MB 2 14 ALA H . . 1.800 2.858 2.586 3.443 1.643 2 10 [*+-*******] 1
545 2 13 ALA MB 2 15 ILE H . . 1.800 4.526 4.337 5.014 3.214 2 10 [*+*****-**] 1
546 2 13 ALA MB 2 16 ILE H . . 1.800 4.681 4.587 4.763 2.963 2 10 [*+***-****] 1
547 2 13 ALA MB 2 16 ILE HB . . 1.800 3.879 3.791 4.005 2.205 3 10 [-*+*******] 1
548 2 13 ALA MB 2 16 ILE MD . . 1.800 3.795 3.554 4.227 2.427 2 10 [*+*****-**] 1
549 2 13 ALA MB 2 16 ILE MG . . 1.800 4.370 3.994 4.589 2.789 3 10 [*-+*******] 1
550 2 14 ALA H 2 14 ALA MB . . 1.800 2.309 2.207 2.500 0.700 2 4 "[ + ** -]" 1
551 2 14 ALA H 2 15 ILE H . . 1.800 2.315 2.032 2.528 0.728 3 6 "[* + . **-*]" 1
552 2 14 ALA H 2 15 ILE HB . . 1.800 4.252 3.941 4.463 2.663 1 10 [+-********] 1
553 2 14 ALA H 2 16 ILE MD . . 1.800 5.392 5.188 5.522 3.722 9 10 [****-***+*] 1
554 2 14 ALA H 2 16 ILE QG . . 1.800 5.161 3.945 5.384 3.584 3 10 [*-+*******] 1
555 2 14 ALA HA 2 15 ILE H . . 1.800 3.440 3.352 3.501 1.701 5 10 [***-+*****] 1
556 2 14 ALA HA 2 16 ILE H . . 1.800 4.614 4.429 4.799 2.999 8 10 [*-*****+**] 1
557 2 14 ALA HA 2 17 LYS H . . 1.800 3.376 3.203 3.560 1.760 1 10 [+*******-*] 1
558 2 14 ALA HA 2 17 LYS QB . . 1.800 2.474 2.281 2.648 0.848 1 9 "[+******* -]" 1
559 2 14 ALA MB 2 15 ILE H . . 1.800 2.735 2.533 2.930 1.130 8 10 [*******+*-] 1
560 2 14 ALA MB 2 15 ILE HB . . 1.800 4.465 4.235 4.620 2.820 4 10 [**-+******] 1
561 2 15 ILE H 2 15 ILE MD . . 1.800 2.740 2.154 3.419 1.619 10 7 "[ ** *- **+]" 1
562 2 15 ILE H 2 15 ILE QG . . 1.800 3.032 2.140 3.622 1.822 3 9 "[* +******-]" 1
563 2 15 ILE H 2 15 ILE MG . . 1.800 3.666 3.524 3.758 1.958 1 10 [+****-****] 1
564 2 15 ILE H 2 16 ILE H . . 1.800 2.577 2.366 2.804 1.004 2 10 [*+*-******] 1
565 2 15 ILE H 2 16 ILE HB . . 1.800 4.359 4.127 4.512 2.712 9 10 [-*******+*] 1
566 2 15 ILE H 2 16 ILE MD . . 1.800 5.267 5.035 5.632 3.832 2 10 [*+*****-**] 1
567 2 15 ILE HA 2 15 ILE MD . . 1.800 3.187 2.585 3.872 2.072 2 10 [*+***-****] 1
568 2 15 ILE HA 2 15 ILE QG . . 1.800 2.396 2.312 2.537 0.737 1 10 [+*****-***] 1
569 2 15 ILE HA 2 15 ILE MG . . 1.800 2.518 2.354 2.717 0.917 3 10 [-*+*******] 1
570 2 15 ILE HA 2 16 ILE H . . 1.800 3.573 3.523 3.651 1.851 8 10 [*-*****+**] 1
571 2 15 ILE HA 2 18 ALA H . . 1.800 3.374 3.258 3.529 1.729 9 10 [-*******+*] 1
572 2 15 ILE HB 2 15 ILE MD . . 1.800 2.391 2.319 2.518 0.718 8 10 [*******+*-] 1
573 2 15 ILE HB 2 16 ILE H . . 1.800 2.706 2.520 2.868 1.068 6 10 [****-+****] 1
574 2 15 ILE HB 2 16 ILE HB . . 1.800 5.003 4.786 5.137 3.337 8 10 [****-**+**] 1
575 2 15 ILE MD 2 15 ILE QG . . 1.800 1.860 1.823 1.887 0.087 10 0 "[ . 1]" 1
576 2 15 ILE MD 2 15 ILE MG . . 1.800 2.857 2.175 3.251 1.451 8 9 [*******+-1] 1
577 2 15 ILE MD 2 16 ILE H . . 1.800 4.302 3.882 4.536 2.736 10 10 [-********+] 1
578 2 15 ILE MG 2 16 ILE H . . 1.800 3.145 2.875 3.373 1.573 2 10 [*+-*******] 1
579 2 16 ILE H 2 16 ILE MD . . 1.800 3.564 3.450 3.691 1.891 4 10 [***+-*****] 1
580 2 16 ILE H 2 16 ILE QG . . 1.800 2.131 1.894 2.221 0.421 10 0 "[ . 1]" 1
581 2 16 ILE H 2 16 ILE MG . . 1.800 3.737 3.695 3.767 1.967 4 10 [*-*+******] 1
582 2 16 ILE H 2 17 LYS H . . 1.800 2.967 2.881 3.046 1.246 5 10 [****+-****] 1
583 2 16 ILE H 2 21 PHE QE . . 1.800 3.563 3.484 3.654 1.854 9 10 [**-*****+*] 1
584 2 16 ILE HA 2 16 ILE MD . . 1.800 3.579 2.331 3.778 1.978 8 10 [*-*****+**] 1
585 2 16 ILE HA 2 16 ILE QG . . 1.800 2.217 2.107 2.541 0.741 2 1 "[ + . 1]" 1
586 2 16 ILE HA 2 16 ILE MG . . 1.800 2.562 2.486 2.601 0.801 6 10 [*-***+****] 1
587 2 16 ILE HA 2 17 LYS H . . 1.800 3.510 3.471 3.584 1.784 5 10 [****+-****] 1
588 2 16 ILE HA 2 21 PHE QB . . 1.800 3.910 3.645 4.874 3.074 2 10 [*+******-*] 1
589 2 16 ILE HB 2 16 ILE MD . . 1.800 2.591 2.468 3.260 1.460 2 10 [*+*******-] 1
590 2 16 ILE HB 2 17 LYS H . . 1.800 2.601 2.119 2.718 0.918 10 9 "[* **-****+]" 1
591 2 16 ILE HB 2 17 LYS QB . . 1.800 4.059 3.865 4.145 2.345 6 10 [*-***+****] 1
592 2 16 ILE HB 2 18 ALA H . . 1.800 4.926 4.453 5.041 3.241 4 10 [*-*+******] 1
593 2 16 ILE HB 2 21 PHE QE . . 1.800 4.720 4.660 4.833 3.033 2 10 [*+*******-] 1
594 2 16 ILE MD 2 16 ILE QG . . 1.800 1.886 1.855 1.905 0.105 4 0 "[ . 1]" 1
595 2 16 ILE MD 2 16 ILE MG . . 1.800 2.035 2.002 2.076 0.276 7 0 "[ . 1]" 1
596 2 16 ILE MD 2 17 LYS H . . 1.800 4.744 4.667 4.821 3.021 4 10 [*-*+******] 1
597 2 16 ILE MD 2 21 PHE H . . 1.800 4.801 4.695 5.007 3.207 9 10 [-*******+*] 1
598 2 16 ILE MD 2 21 PHE HA . . 1.800 5.777 5.570 5.871 4.071 7 10 [*-****+***] 1
599 2 16 ILE MD 2 21 PHE QB . . 1.800 3.377 3.110 4.461 2.661 2 10 [*+******-*] 1
600 2 16 ILE MD 2 21 PHE QD . . 1.800 3.812 3.328 3.943 2.143 3 10 [*-+*******] 1
601 2 16 ILE MD 2 21 PHE QE . . 1.800 4.097 3.378 4.283 2.483 3 10 [*-+*******] 1
602 2 16 ILE MD 2 21 PHE HZ . . 1.800 4.899 4.276 5.110 3.310 9 10 [*-******+*] 1
603 2 16 ILE MD 3 9 ILE MD . . 1.800 2.747 2.386 3.700 1.900 10 10 [*****-***+] 1
604 2 16 ILE MD 3 9 ILE MG . . 1.800 2.293 1.920 3.548 1.748 10 2 "[ . -+]" 1
605 2 16 ILE MD 3 13 ALA H . . 1.800 3.920 3.536 4.305 2.505 5 10 [****+****-] 1
606 2 16 ILE QG 2 17 LYS H . . 1.800 4.135 3.803 4.217 2.417 5 10 [*-**+*****] 1
607 2 16 ILE QG 2 21 PHE H . . 1.800 4.105 3.745 5.852 4.052 2 10 [*+**-*****] 1
608 2 16 ILE QG 2 21 PHE QD . . 1.800 2.798 2.512 4.412 2.612 2 10 [*+*-******] 1
609 2 16 ILE QG 2 21 PHE QE . . 1.800 2.904 2.685 3.686 1.886 2 10 [*+*******-] 1
610 2 16 ILE QG 2 21 PHE HZ . . 1.800 3.883 3.507 4.919 3.119 2 10 [*+**-*****] 1
611 2 16 ILE MG 2 17 LYS H . . 1.800 3.110 2.885 3.235 1.435 7 10 [*-****+***] 1
612 2 16 ILE MG 2 17 LYS HA . . 1.800 3.338 3.083 3.483 1.683 6 10 [*-***+****] 1
613 2 16 ILE MG 2 17 LYS QB . . 1.800 3.895 3.700 4.019 2.219 2 10 [*+**-*****] 1
614 2 16 ILE MG 2 17 LYS QD . . 1.800 4.877 4.645 5.080 3.280 6 10 [*-***+****] 1
615 2 16 ILE MG 2 20 GLY H . . 1.800 3.741 3.448 4.335 2.535 2 10 [*+****-***] 1
616 2 16 ILE MG 2 21 PHE H . . 1.800 2.923 2.606 3.796 1.996 2 10 [*+*****-**] 1
617 2 16 ILE MG 2 21 PHE HA . . 1.800 4.799 4.596 4.879 3.079 4 10 [***+***-**] 1
618 2 16 ILE MG 2 21 PHE QB . . 1.800 2.655 2.170 4.575 2.775 2 8 "[*+***** -]" 1
619 2 16 ILE MG 2 21 PHE QD . . 1.800 2.784 2.504 3.150 1.350 2 10 [*+*****-**] 1
620 2 16 ILE MG 2 21 PHE QE . . 1.800 4.110 3.982 4.219 2.419 5 10 [****+**-**] 1
621 2 16 ILE MG 2 21 PHE HZ . . 1.800 5.691 5.571 5.786 3.986 2 10 [*+**-*****] 1
622 2 16 ILE MG 3 9 ILE MD . . 1.800 4.379 4.116 4.714 2.914 10 10 [*-*******+] 1
623 2 16 ILE MG 3 9 ILE MG . . 1.800 3.395 2.568 5.549 3.749 10 10 [****-****+] 1
624 2 16 ILE MG 3 13 ALA H . . 1.800 5.049 4.789 5.233 3.433 6 10 [****-+****] 1
625 2 17 LYS H 2 17 LYS QD . . 1.800 4.281 3.682 4.585 2.785 5 10 [*-**+*****] 1
626 2 17 LYS H 2 17 LYS QE . . 1.800 4.761 4.118 5.403 3.603 3 10 [**+*****-*] 1
627 2 17 LYS H 2 17 LYS QG . . 1.800 3.666 2.074 3.879 2.079 5 9 "[* **+****-]" 1
628 2 17 LYS H 2 18 ALA H . . 1.800 2.764 2.461 2.881 1.081 1 10 [+-********] 1
629 2 17 LYS HA 2 17 LYS QE . . 1.800 3.430 2.598 4.522 2.722 2 10 [*+****-***] 1
630 2 17 LYS HA 2 20 GLY H . . 1.800 4.244 3.920 4.513 2.713 3 10 [*-+*******] 1
631 2 17 LYS QB 2 17 LYS QD . . 1.800 2.473 2.127 2.842 1.042 5 8 "[* **+* **-]" 1
632 2 17 LYS QB 2 17 LYS QE . . 1.800 2.843 2.077 3.477 1.677 2 8 "[*+**.-** *]" 1
633 2 17 LYS QB 2 17 LYS QG . . 1.800 1.991 1.957 2.051 0.251 2 0 "[ . 1]" 1
634 2 17 LYS QB 2 17 LYS QZ . . 1.800 3.810 3.100 4.145 2.345 4 10 [***+-*****] 1
635 2 17 LYS QB 2 18 ALA H . . 1.800 2.878 2.421 3.023 1.223 10 10 [*-*******+] 1
636 2 17 LYS QD 2 17 LYS QE . . 1.800 1.913 1.765 2.083 0.283 9 0 "[ . 1]" 1
637 2 17 LYS QD 2 17 LYS QZ . . 1.800 2.054 1.870 2.164 0.364 5 0 "[ . 1]" 1
638 2 17 LYS QD 2 18 ALA H . . 1.800 4.765 4.611 5.089 3.289 7 10 [*-****+***] 1
639 2 17 LYS QE 2 17 LYS QG . . 1.800 2.119 1.941 2.597 0.797 5 1 "[ + 1]" 1
640 2 17 LYS QE 2 17 LYS QZ . . 1.800 1.724 1.573 1.789 . 0 0 "[ . 1]" 1
641 2 17 LYS QG 2 17 LYS QZ . . 1.800 3.188 2.392 3.388 1.588 8 10 [****-**+**] 1
642 2 17 LYS QG 2 18 ALA H . . 1.800 3.689 3.525 3.901 2.101 2 10 [-+********] 1
643 2 18 ALA H 2 18 ALA MB . . 1.800 2.264 2.201 2.338 0.538 3 2 "[ + . -1]" 1
644 2 18 ALA H 2 19 GLY H . . 1.800 2.448 2.310 2.582 0.782 2 10 [*+-*******] 1
645 2 18 ALA H 2 19 GLY QA . . 1.800 4.273 4.171 4.409 2.609 2 10 [*+-*******] 1
646 2 18 ALA HA 2 19 GLY H . . 1.800 3.574 3.514 3.602 1.802 1 10 [+*-*******] 1
647 2 18 ALA MB 2 19 GLY H . . 1.800 2.601 2.424 2.831 1.031 8 10 [*****-*+**] 1
648 2 18 ALA MB 2 21 PHE QE . . 1.800 4.876 4.671 5.117 3.317 8 10 [****-**+**] 1
649 2 19 GLY H 2 20 GLY H . . 1.800 2.835 2.706 2.975 1.175 4 10 [*-*+******] 1
650 2 19 GLY H 2 20 GLY QA . . 1.800 4.639 4.521 4.752 2.952 4 10 [**-+******] 1
651 2 19 GLY H 2 21 PHE QD . . 1.800 3.773 3.593 3.948 2.148 2 10 [*+******-*] 1
652 2 19 GLY H 2 21 PHE QE . . 1.800 3.287 3.134 3.508 1.708 2 10 [*+**-*****] 1
653 2 19 GLY H 2 21 PHE HZ . . 1.800 5.476 5.423 5.545 3.745 6 10 [*****+-***] 1
654 2 19 GLY QA 2 20 GLY H . . 1.800 2.758 2.475 2.951 1.151 3 10 [*-+*******] 1
655 2 19 GLY QA 2 21 PHE QD . . 1.800 2.949 2.717 3.173 1.373 2 10 [*+***-****] 1
656 2 19 GLY QA 2 21 PHE QE . . 1.800 2.731 2.493 3.107 1.307 2 10 [*+**-*****] 1
657 2 19 GLY QA 2 21 PHE HZ . . 1.800 4.310 4.057 4.489 2.689 6 10 [*****+*-**] 1
658 2 20 GLY H 2 21 PHE HA . . 1.800 4.920 4.631 5.128 3.328 8 10 [******-+**] 1
659 2 20 GLY H 2 21 PHE QB . . 1.800 4.517 4.404 4.701 2.901 5 10 [****+*-***] 1
660 2 20 GLY QA 2 21 PHE H . . 1.800 2.655 2.529 2.840 1.040 2 10 [*+*-******] 1
661 2 21 PHE H 3 9 ILE MD . . 1.800 5.378 5.160 5.542 3.742 8 10 [*******+-*] 1
662 2 21 PHE HA 3 9 ILE MD . . 1.800 4.886 3.853 5.301 3.501 2 10 [*+******-*] 1
663 2 21 PHE QB 3 9 ILE MD . . 1.800 2.938 2.127 3.448 1.648 2 8 "[-+****** 1]" 1
664 2 21 PHE QB 3 9 ILE MG . . 1.800 2.600 1.922 4.665 2.865 10 3 "[ - . *+]" 1
665 2 21 PHE QD 3 5 ALA MB . . 1.800 3.051 2.518 4.084 2.284 5 10 [**-*+*****] 1
666 2 21 PHE QD 3 9 ILE MD . . 1.800 2.495 2.174 3.052 1.252 4 7 "[ **+-*** 1]" 1
667 2 21 PHE QD 3 9 ILE MG . . 1.800 3.393 3.011 4.085 2.285 10 10 [-********+] 1
668 2 21 PHE QE 3 9 ILE MD . . 1.800 2.978 2.561 3.454 1.654 5 10 [*-**+*****] 1
669 2 21 PHE QE 3 9 ILE MG . . 1.800 4.173 3.379 4.517 2.717 6 10 [*****+***-] 1
670 2 21 PHE HZ 3 9 ILE MG . . 1.800 5.193 4.033 5.613 3.813 6 10 [*****+***-] 1
671 3 2 ALA H 3 4 ALA H . . 1.800 4.330 3.889 4.623 2.823 1 10 [+******-**] 1
672 3 2 ALA H 3 5 ALA MB . . 1.800 4.779 4.438 5.010 3.210 10 10 [*******-*+] 1
673 3 2 ALA HA 4 21 PHE QE . . 1.800 3.682 2.717 5.479 3.679 10 10 [*****-***+] 1
674 3 2 ALA MB 3 4 ALA MB . . 1.800 4.851 4.694 4.957 3.157 10 10 [*******-*+] 1
675 3 3 LYS H 3 3 LYS QD . . 1.800 3.754 3.299 4.087 2.287 5 10 [****+***-*] 1
676 3 3 LYS H 3 3 LYS QE . . 1.800 4.284 3.806 4.616 2.816 2 10 [*+**-*****] 1
677 3 3 LYS H 3 3 LYS QG . . 1.800 2.286 2.143 2.446 0.646 10 4 "[ *- * +]" 1
678 3 3 LYS H 3 4 ALA H . . 1.800 2.585 2.075 2.844 1.044 3 9 [**+****-*1] 1
679 3 3 LYS H 3 5 ALA H . . 1.800 4.031 3.839 4.203 2.403 3 10 [**+******-] 1
680 3 3 LYS H 3 5 ALA MB . . 1.800 4.658 4.510 4.789 2.989 7 10 [******+-**] 1
681 3 3 LYS H 4 21 PHE QE . . 1.800 5.941 5.309 6.374 4.574 5 10 [****+***-*] 1
682 3 3 LYS HA 3 3 LYS QD . . 1.800 3.573 2.196 4.119 2.319 1 8 "[+***-** *]" 1
683 3 3 LYS HA 3 3 LYS QE . . 1.800 4.449 4.081 4.962 3.162 6 10 [*****+*-**] 1
684 3 3 LYS HA 3 3 LYS QG . . 1.800 2.514 2.267 3.144 1.344 8 8 "[* **.*-+**]" 1
685 3 3 LYS HA 3 4 ALA H . . 1.800 3.459 3.360 3.512 1.712 6 10 [*****+***-] 1
686 3 3 LYS HA 3 5 ALA H . . 1.800 3.720 3.570 3.888 2.088 4 10 [***+*****-] 1
687 3 3 LYS HA 3 5 ALA MB . . 1.800 4.555 4.107 4.827 3.027 4 10 [***+*****-] 1
688 3 3 LYS QB 3 3 LYS QD . . 1.800 2.162 2.053 2.394 0.594 9 2 "[ . -+1]" 1
689 3 3 LYS QB 3 3 LYS QE . . 1.800 3.317 2.038 3.788 1.988 8 9 "[ ***-**+**]" 1
690 3 3 LYS QB 3 3 LYS QG . . 1.800 2.059 1.972 2.100 0.300 10 0 "[ . 1]" 1
691 3 3 LYS QB 3 4 ALA H . . 1.800 2.759 2.606 3.058 1.258 10 10 [*****-***+] 1
692 3 3 LYS QB 3 5 ALA H . . 1.800 4.520 4.456 4.570 2.770 10 10 [*-*******+] 1
693 3 3 LYS QD 3 3 LYS QE . . 1.800 1.972 1.615 2.077 0.277 4 0 "[ . 1]" 1
694 3 3 LYS QE 3 3 LYS QG . . 1.800 2.136 1.885 2.335 0.535 1 2 "[+- . 1]" 1
695 3 4 ALA H 3 4 ALA MB . . 1.800 2.088 2.034 2.137 0.337 5 0 "[ . 1]" 1
696 3 4 ALA H 3 5 ALA H . . 1.800 2.653 2.503 2.790 0.990 6 10 [*****+***-] 1
697 3 4 ALA H 3 5 ALA MB . . 1.800 4.104 3.870 4.262 2.462 2 10 [-+********] 1
698 3 4 ALA H 4 21 PHE QD . . 1.800 5.251 4.934 5.753 3.953 5 10 [****+-****] 1
699 3 4 ALA H 4 21 PHE HZ . . 1.800 4.882 4.709 5.107 3.307 8 10 [***-***+**] 1
700 3 4 ALA HA 3 5 ALA H . . 1.800 3.361 3.236 3.497 1.697 5 10 [****+-****] 1
701 3 4 ALA HA 3 7 ALA H . . 1.800 3.922 3.266 4.436 2.636 8 10 [****-**+**] 1
702 3 4 ALA HA 4 21 PHE QD . . 1.800 6.452 6.378 6.621 4.821 10 10 [**-******+] 1
703 3 4 ALA HA 4 21 PHE HZ . . 1.800 4.663 4.285 4.945 3.145 6 10 [****-+****] 1
704 3 4 ALA MB 3 5 ALA H . . 1.800 3.183 2.987 3.385 1.585 6 10 [****-+****] 1
705 3 4 ALA MB 3 5 ALA HA . . 1.800 3.770 3.491 3.985 2.185 2 10 [*+*****-**] 1
706 3 4 ALA MB 4 21 PHE QD . . 1.800 3.740 3.652 3.997 2.197 5 10 [**-*+*****] 1
707 3 4 ALA MB 4 21 PHE QE . . 1.800 2.732 2.529 2.871 1.071 3 10 [**+*-*****] 1
708 3 4 ALA MB 4 21 PHE HZ . . 1.800 2.732 2.319 2.936 1.136 6 10 [****-+****] 1
709 3 5 ALA H 3 5 ALA MB . . 1.800 2.213 2.170 2.266 0.466 4 0 "[ . 1]" 1
710 3 5 ALA H 3 6 ALA H . . 1.800 2.950 2.681 3.175 1.375 10 10 [****-****+] 1
711 3 5 ALA H 3 6 ALA HA . . 1.800 5.470 5.316 5.613 3.813 10 10 [****-****+] 1
712 3 5 ALA H 3 7 ALA H . . 1.800 4.351 4.117 4.493 2.693 3 10 [**+*****-*] 1
713 3 5 ALA H 3 9 ILE MD . . 1.800 5.755 5.017 6.172 4.372 3 10 [**+*****-*] 1
714 3 5 ALA H 4 21 PHE QD . . 1.800 5.040 4.721 5.395 3.595 10 10 [****-****+] 1
715 3 5 ALA H 4 21 PHE HZ . . 1.800 4.204 3.811 4.542 2.742 8 10 [*******+*-] 1
716 3 5 ALA HA 3 6 ALA H . . 1.800 3.523 3.231 3.613 1.813 3 10 [**+*-*****] 1
717 3 5 ALA HA 3 7 ALA H . . 1.800 4.275 3.796 4.751 2.951 5 10 [****+***-*] 1
718 3 5 ALA HA 3 8 ALA H . . 1.800 3.311 2.972 3.935 2.135 5 10 [****+*-***] 1
719 3 5 ALA HA 3 8 ALA MB . . 1.800 2.762 2.335 3.549 1.749 5 10 [-***+*****] 1
720 3 5 ALA HA 3 9 ILE H . . 1.800 3.641 3.421 3.795 1.995 10 10 [******-**+] 1
721 3 5 ALA HA 3 9 ILE MD . . 1.800 3.685 3.305 3.993 2.193 3 10 [**+*****-*] 1
722 3 5 ALA HA 4 21 PHE QD . . 1.800 4.152 3.009 4.642 2.842 2 10 [*+**-*****] 1
723 3 5 ALA HA 4 21 PHE QE . . 1.800 2.144 2.017 2.338 0.538 2 1 "[ + . 1]" 1
724 3 5 ALA HA 4 21 PHE HZ . . 1.800 2.606 2.297 3.433 1.633 5 9 [****+***-1] 1
725 3 5 ALA MB 3 6 ALA H . . 1.800 2.661 2.339 3.357 1.557 5 10 [****+***-*] 1
726 3 5 ALA MB 3 6 ALA HA . . 1.800 4.001 3.815 4.508 2.708 5 10 [****+****-] 1
727 3 5 ALA MB 3 6 ALA MB . . 1.800 3.874 3.515 4.342 2.542 5 10 [****+***-*] 1
728 3 5 ALA MB 3 7 ALA H . . 1.800 4.587 4.277 5.113 3.313 5 10 [****+***-*] 1
729 3 5 ALA MB 3 9 ILE MD . . 1.800 3.104 2.606 3.742 1.942 5 10 [****+****-] 1
730 3 5 ALA MB 3 9 ILE QG . . 1.800 3.341 2.294 4.390 2.590 1 9 "[+-**** ***]" 1
731 3 5 ALA MB 3 9 ILE MG . . 1.800 4.465 3.315 5.316 3.516 5 10 [****+***-*] 1
732 3 5 ALA MB 4 21 PHE QD . . 1.800 3.353 2.549 4.091 2.291 10 10 [*******-*+] 1
733 3 5 ALA MB 4 21 PHE QE . . 1.800 2.438 2.178 3.202 1.402 5 6 "[** +- * *]" 1
734 3 5 ALA MB 4 21 PHE HZ . . 1.800 3.846 3.772 3.942 2.142 5 10 [****+*-***] 1
735 3 6 ALA H 3 6 ALA MB . . 1.800 2.228 2.126 2.387 0.587 5 1 "[ + 1]" 1
736 3 6 ALA H 3 7 ALA H . . 1.800 2.774 2.226 3.020 1.220 9 9 [-***.***+*] 1
737 3 6 ALA H 3 10 LYS QG . . 1.800 5.544 5.177 5.746 3.946 8 10 [*******+-*] 1
738 3 6 ALA HA 3 7 ALA H . . 1.800 3.430 3.207 3.524 1.724 5 10 [****+***-*] 1
739 3 6 ALA HA 3 9 ILE H . . 1.800 3.833 3.636 4.098 2.298 9 10 [-*******+*] 1
740 3 6 ALA HA 3 9 ILE MD . . 1.800 4.509 2.187 5.442 3.642 7 8 "[******+- 1]" 1
741 3 6 ALA HA 3 9 ILE MG . . 1.800 4.414 4.094 4.598 2.798 9 10 [*******-+*] 1
742 3 6 ALA HA 3 10 LYS H . . 1.800 3.677 2.985 3.952 2.152 8 10 [*******+*-] 1
743 3 7 ALA H 3 7 ALA MB . . 1.800 2.246 2.171 2.360 0.560 9 2 "[ . +-]" 1
744 3 7 ALA H 3 8 ALA H . . 1.800 2.685 2.319 2.962 1.162 3 10 [**+*****-*] 1
745 3 7 ALA H 3 8 ALA HA . . 1.800 5.275 4.839 5.518 3.718 5 10 [****+***-*] 1
746 3 7 ALA H 3 8 ALA MB . . 1.800 4.306 3.829 4.619 2.819 5 10 [****+***-*] 1
747 3 7 ALA H 3 9 ILE H . . 1.800 4.301 3.955 4.617 2.817 10 10 [*-*******+] 1
748 3 7 ALA H 3 10 LYS QB . . 1.800 4.779 4.067 4.941 3.141 6 10 [*****+**-*] 1
749 3 7 ALA H 4 15 ILE MG . . 1.800 5.119 4.170 6.176 4.376 8 10 [*******+*-] 1
750 3 7 ALA HA 3 8 ALA H . . 1.800 3.572 3.503 3.651 1.851 4 10 [***+-*****] 1
751 3 7 ALA HA 3 10 LYS H . . 1.800 4.020 3.688 4.597 2.797 10 10 [****-****+] 1
752 3 7 ALA HA 3 11 ALA H . . 1.800 4.400 3.740 4.820 3.020 8 10 [*******+*-] 1
753 3 7 ALA MB 3 8 ALA H . . 1.800 2.779 2.375 3.065 1.265 1 10 [+*******-*] 1
754 3 7 ALA MB 4 15 ILE MD . . 1.800 4.315 3.263 5.297 3.497 8 10 [*-*****+**] 1
755 3 7 ALA MB 4 15 ILE MG . . 1.800 3.420 2.421 4.746 2.946 5 10 [****+****-] 1
756 3 8 ALA H 3 8 ALA MB . . 1.800 2.163 2.005 2.267 0.467 5 0 "[ . 1]" 1
757 3 8 ALA H 3 9 ILE H . . 1.800 2.526 2.275 3.076 1.276 9 9 "[*** -***+*]" 1
758 3 8 ALA H 3 9 ILE MD . . 1.800 4.739 3.883 5.213 3.413 3 10 [**+******-] 1
759 3 8 ALA H 3 9 ILE MG . . 1.800 5.335 4.174 5.668 3.868 2 10 [*+*******-] 1
760 3 8 ALA H 4 15 ILE MG . . 1.800 3.468 2.841 4.349 2.549 5 10 [****+****-] 1
761 3 8 ALA H 4 21 PHE QD . . 1.800 6.500 6.151 6.621 4.821 4 10 [***+-*****] 1
762 3 8 ALA HA 3 9 ILE H . . 1.800 3.524 3.416 3.604 1.804 10 10 [***-*****+] 1
763 3 8 ALA HA 3 10 LYS H . . 1.800 4.568 4.282 4.676 2.876 10 10 [********-+] 1
764 3 8 ALA HA 4 15 ILE MG . . 1.800 2.684 2.141 4.276 2.476 5 5 "[* + -* *]" 1
765 3 8 ALA HA 4 21 PHE QD . . 1.800 7.251 7.029 7.472 5.672 5 10 [*-**+*****] 1
766 3 8 ALA HA 4 21 PHE QE . . 1.800 5.216 5.021 5.347 3.547 5 10 [*-**+*****] 1
767 3 8 ALA HA 4 21 PHE HZ . . 1.800 4.645 4.476 5.059 3.259 5 10 [***-+*****] 1
768 3 8 ALA MB 3 9 ILE H . . 1.800 2.379 2.160 2.618 0.818 6 8 "[-****+* *1]" 1
769 3 8 ALA MB 3 9 ILE MD . . 1.800 3.365 3.113 3.662 1.862 9 10 [******-*+*] 1
770 3 8 ALA MB 3 9 ILE QG . . 1.800 3.149 2.460 4.867 3.067 9 10 [**-*****+*] 1
771 3 8 ALA MB 3 9 ILE MG . . 1.800 4.257 2.399 4.902 3.102 5 10 [****+****-] 1
772 3 8 ALA MB 3 11 ALA H . . 1.800 4.860 4.681 5.109 3.309 10 10 [******-**+] 1
773 3 8 ALA MB 4 15 ILE HA . . 1.800 5.021 4.705 5.360 3.560 8 10 [**-****+**] 1
774 3 8 ALA MB 4 15 ILE HB . . 1.800 3.196 2.924 3.710 1.910 8 10 [**-****+**] 1
775 3 8 ALA MB 4 15 ILE MD . . 1.800 3.377 2.615 4.599 2.799 10 10 [****-****+] 1
776 3 8 ALA MB 4 15 ILE MG . . 1.800 2.095 1.895 2.295 0.495 5 0 "[ . 1]" 1
777 3 9 ILE H 3 9 ILE MD . . 1.800 3.112 2.071 3.637 1.837 3 8 "[**+**-** 1]" 1
778 3 9 ILE H 3 9 ILE QG . . 1.800 2.429 1.930 3.497 1.697 9 4 "[* . -+*]" 1
779 3 9 ILE H 3 9 ILE MG . . 1.800 3.333 1.954 3.755 1.955 5 8 "[-***+*** 1]" 1
780 3 9 ILE H 3 10 LYS H . . 1.800 2.595 2.458 2.730 0.930 6 10 [*****+**-*] 1
781 3 9 ILE HA 3 9 ILE MD . . 1.800 2.845 2.287 3.542 1.742 9 9 "[*****- *+*]" 1
782 3 9 ILE HA 3 9 ILE QG . . 1.800 2.853 2.001 3.392 1.592 10 8 "[ *-**** *+]" 1
783 3 9 ILE HA 3 9 ILE MG . . 1.800 2.409 2.167 2.605 0.805 8 8 "[*-* .**+**]" 1
784 3 9 ILE HA 3 10 LYS H . . 1.800 3.485 3.361 3.549 1.749 6 10 [*****+**-*] 1
785 3 9 ILE HB 3 9 ILE MD . . 1.800 3.049 2.223 3.277 1.477 4 9 "[ **+***-**]" 1
786 3 9 ILE HB 3 13 ALA H . . 1.800 5.070 4.633 5.251 3.451 5 10 [****+***-*] 1
787 3 9 ILE MD 3 9 ILE QG . . 1.800 1.864 1.777 1.914 0.114 9 0 "[ . 1]" 1
788 3 9 ILE MD 3 10 LYS H . . 1.800 4.312 2.036 5.084 3.284 8 8 "[*****-*+ 1]" 1
789 3 9 ILE MD 3 12 ILE H . . 1.800 5.225 4.968 5.528 3.728 1 10 [+********-] 1
790 3 9 ILE MD 3 12 ILE HB . . 1.800 4.806 4.235 5.362 3.562 9 10 [****-***+*] 1
791 3 9 ILE MD 3 13 ALA H . . 1.800 5.085 4.932 5.201 3.401 1 10 [+*-*******] 1
792 3 9 ILE MD 3 13 ALA MB . . 1.800 4.576 4.323 4.844 3.044 10 10 [*****-***+] 1
793 3 9 ILE MD 4 21 PHE HZ . . 1.800 4.759 4.643 4.866 3.066 2 10 [*+**-*****] 1
794 3 9 ILE QG 3 9 ILE MG . . 1.800 2.336 2.202 2.482 0.682 3 6 "[- +**** 1]" 1
795 3 9 ILE QG 3 10 LYS H . . 1.800 3.884 3.327 4.396 2.596 1 10 [+********-] 1
796 3 9 ILE MG 3 10 LYS H . . 1.800 3.604 3.415 3.903 2.103 10 10 [*-*******+] 1
797 3 9 ILE MG 3 10 LYS HA . . 1.800 3.986 3.500 5.406 3.606 9 10 [****-***+*] 1
798 3 9 ILE MG 3 10 LYS QB . . 1.800 4.757 4.608 4.951 3.151 9 10 [*-******+*] 1
799 3 9 ILE MG 3 10 LYS QG . . 1.800 3.980 3.383 5.264 3.464 9 10 [*-******+*] 1
800 3 9 ILE MG 3 11 ALA H . . 1.800 5.036 4.766 5.501 3.701 10 10 [-********+] 1
801 3 9 ILE MG 3 12 ILE HB . . 1.800 4.598 3.519 5.358 3.558 6 10 [*****+*-**] 1
802 3 10 LYS H 3 10 LYS QD . . 1.800 4.051 3.584 4.650 2.850 10 10 [****-****+] 1
803 3 10 LYS H 3 10 LYS QE . . 1.800 4.642 4.108 4.922 3.122 4 10 [***+**-***] 1
804 3 10 LYS H 3 10 LYS QG . . 1.800 2.739 2.403 3.643 1.843 10 10 [****-****+] 1
805 3 10 LYS H 3 11 ALA H . . 1.800 2.571 2.174 2.806 1.006 5 9 [****+***-1] 1
806 3 10 LYS H 3 13 ALA MB . . 1.800 4.936 4.774 5.042 3.242 6 10 [*****+***-] 1
807 3 10 LYS HA 3 10 LYS QD . . 1.800 3.254 2.101 4.142 2.342 5 6 "[*** + -* 1]" 1
808 3 10 LYS HA 3 10 LYS QE . . 1.800 4.060 3.274 4.796 2.996 1 10 [+********-] 1
809 3 10 LYS HA 3 10 LYS QG . . 1.800 2.421 2.203 2.828 1.028 6 7 "[* *-+ ***]" 1
810 3 10 LYS HA 3 11 ALA H . . 1.800 3.449 3.360 3.509 1.709 9 10 [-*******+*] 1
811 3 10 LYS HA 3 12 ILE H . . 1.800 4.425 3.813 4.611 2.811 5 10 [*-**+*****] 1
812 3 10 LYS HA 3 13 ALA H . . 1.800 3.631 2.842 3.925 2.125 8 10 [*******+*-] 1
813 3 10 LYS HA 3 13 ALA MB . . 1.800 3.244 2.508 3.737 1.937 6 10 [*****+***-] 1
814 3 10 LYS QB 3 10 LYS QD . . 1.800 2.359 2.119 2.877 1.077 10 5 "[ - * * *+]" 1
815 3 10 LYS QB 3 10 LYS QE . . 1.800 2.860 2.015 3.815 2.015 4 5 "[*- +.* * 1]" 1
816 3 10 LYS QB 3 10 LYS QG . . 1.800 2.064 1.968 2.128 0.328 3 0 "[ . 1]" 1
817 3 10 LYS QB 3 10 LYS QZ . . 1.800 3.590 2.787 4.119 2.319 6 10 [*****+**-*] 1
818 3 10 LYS QB 3 11 ALA H . . 1.800 2.904 2.653 3.045 1.245 1 10 [+*******-*] 1
819 3 10 LYS QD 3 10 LYS QG . . 1.800 2.023 1.936 2.095 0.295 1 0 "[ . 1]" 1
820 3 10 LYS QD 3 10 LYS QZ . . 1.800 2.118 2.029 2.243 0.443 4 0 "[ . 1]" 1
821 3 10 LYS QE 3 10 LYS QZ . . 1.800 1.772 1.659 1.820 0.020 7 0 "[ . 1]" 1
822 3 10 LYS QG 3 10 LYS QZ . . 1.800 2.997 2.161 3.414 1.614 7 8 "[ **-**+* *]" 1
823 3 11 ALA H 3 11 ALA MB . . 1.800 2.239 2.198 2.321 0.521 1 1 "[+ . 1]" 1
824 3 11 ALA H 3 12 ILE H . . 1.800 2.629 2.462 2.751 0.951 9 10 [-*******+*] 1
825 3 11 ALA H 3 15 ILE MD . . 1.800 4.856 4.596 4.980 3.180 10 10 [*-*******+] 1
826 3 11 ALA HA 3 12 ILE H . . 1.800 3.554 3.320 3.617 1.817 10 10 [*-*******+] 1
827 3 11 ALA HA 3 13 ALA H . . 1.800 4.895 4.573 5.199 3.399 2 10 [*+*******-] 1
828 3 11 ALA HA 3 15 ILE MD . . 1.800 3.282 2.398 3.740 1.940 10 10 [*-*******+] 1
829 3 12 ILE H 3 12 ILE MD . . 1.800 3.721 2.451 4.520 2.720 2 10 [*+*******-] 1
830 3 12 ILE H 3 12 ILE QG . . 1.800 3.479 2.107 3.813 2.013 2 9 "[*+***** -*]" 1
831 3 12 ILE H 3 12 ILE MG . . 1.800 3.126 2.470 3.818 2.018 8 10 [***-***+**] 1
832 3 12 ILE H 3 13 ALA H . . 1.800 2.841 2.504 2.937 1.137 1 10 [+-********] 1
833 3 12 ILE HA 3 12 ILE MD . . 1.800 2.574 2.144 3.151 1.351 4 9 "[***+**** -]" 1
834 3 12 ILE HA 3 12 ILE QG . . 1.800 2.299 1.896 2.986 1.186 8 4 "[ *- +*1]" 1
835 3 12 ILE HA 3 12 ILE MG . . 1.800 2.963 2.392 3.189 1.389 7 10 [******+-**] 1
836 3 12 ILE HA 3 13 ALA H . . 1.800 3.557 3.504 3.612 1.812 2 10 [-+********] 1
837 3 12 ILE HA 3 15 ILE H . . 1.800 3.243 3.036 3.549 1.749 2 10 [-+********] 1
838 3 12 ILE HA 3 15 ILE HB . . 1.800 2.225 2.041 2.568 0.768 2 3 "[ + -.* 1]" 1
839 3 12 ILE HA 3 15 ILE QG . . 1.800 3.762 3.620 4.256 2.456 2 10 [*+**-*****] 1
840 3 12 ILE HA 3 15 ILE MG . . 1.800 3.492 3.277 3.785 1.985 6 10 [*****+***-] 1
841 3 12 ILE HA 3 16 ILE H . . 1.800 3.587 3.521 3.626 1.826 7 10 [******+**-] 1
842 3 12 ILE HB 3 12 ILE MD . . 1.800 2.911 2.418 3.240 1.440 6 10 [*****+***-] 1
843 3 12 ILE HB 3 15 ILE MG . . 1.800 5.550 5.457 5.645 3.845 6 10 [***-*+****] 1
844 3 12 ILE MD 3 12 ILE MG . . 1.800 2.492 2.054 3.251 1.451 10 3 "[- * +]" 1
845 3 12 ILE QG 3 13 ALA H . . 1.800 4.558 4.045 4.787 2.987 5 10 [***-+*****] 1
846 3 12 ILE QG 3 15 ILE MD . . 1.800 3.533 3.131 5.035 3.235 2 10 [*+**-*****] 1
847 3 12 ILE QG 3 15 ILE MG . . 1.800 3.888 3.222 4.924 3.124 8 10 [-******+**] 1
848 3 12 ILE MG 3 13 ALA H . . 1.800 2.671 2.104 3.663 1.863 8 7 "[* -** +**]" 1
849 3 12 ILE MG 3 13 ALA HA . . 1.800 3.359 3.018 3.691 1.891 8 10 [*-*****+**] 1
850 3 12 ILE MG 3 13 ALA MB . . 1.800 3.337 2.678 4.200 2.400 8 10 [*-*****+**] 1
851 3 12 ILE MG 3 16 ILE HB . . 1.800 4.421 4.009 5.086 3.286 6 10 [*****+***-] 1
852 3 12 ILE MG 3 16 ILE MG . . 1.800 4.773 4.461 5.147 3.347 6 10 [*****+***-] 1
853 3 13 ALA H 3 13 ALA MB . . 1.800 2.207 2.189 2.233 0.433 1 0 "[ . 1]" 1
854 3 13 ALA H 3 14 ALA H . . 1.800 2.682 2.623 2.735 0.935 6 10 [*****+*-**] 1
855 3 13 ALA H 3 16 ILE HB . . 1.800 4.922 4.772 5.270 3.470 2 10 [*+**-*****] 1
856 3 13 ALA HA 3 14 ALA H . . 1.800 3.350 2.904 3.469 1.669 1 10 [+****-****] 1
857 3 13 ALA HA 3 16 ILE H . . 1.800 3.383 3.252 3.474 1.674 9 10 [*****-**+*] 1
858 3 13 ALA HA 3 16 ILE HB . . 1.800 2.370 2.243 2.603 0.803 2 7 "[*+ .**-**]" 1
859 3 13 ALA HA 3 16 ILE MD . . 1.800 2.933 2.492 3.853 2.053 6 10 [****-+****] 1
860 3 13 ALA HA 3 16 ILE QG . . 1.800 3.281 1.898 3.700 1.900 9 8 "[* -** **+*]" 1
861 3 13 ALA HA 3 16 ILE MG . . 1.800 3.610 3.532 3.660 1.860 1 10 [+***-*****] 1
862 3 13 ALA HA 3 17 LYS H . . 1.800 4.070 3.922 4.283 2.483 2 10 [*+*****-**] 1
863 3 13 ALA MB 3 14 ALA H . . 1.800 2.937 2.656 3.485 1.685 6 10 [*****+**-*] 1
864 3 13 ALA MB 3 15 ILE H . . 1.800 4.627 4.495 4.996 3.196 6 10 [*****+**-*] 1
865 3 13 ALA MB 3 16 ILE H . . 1.800 4.679 4.638 4.703 2.903 4 10 [-**+******] 1
866 3 13 ALA MB 3 16 ILE HB . . 1.800 3.858 3.760 3.946 2.146 10 10 [****-****+] 1
867 3 13 ALA MB 3 16 ILE MD . . 1.800 3.892 3.617 4.254 2.454 6 10 [****-+****] 1
868 3 13 ALA MB 3 16 ILE MG . . 1.800 4.300 4.144 4.455 2.655 9 10 [*****-**+*] 1
869 3 14 ALA H 3 14 ALA MB . . 1.800 2.310 2.228 2.559 0.759 6 3 "[ * .+- 1]" 1
870 3 14 ALA H 3 15 ILE H . . 1.800 2.241 1.909 2.404 0.604 9 2 "[ . +-]" 1
871 3 14 ALA H 3 15 ILE HB . . 1.800 4.123 3.794 4.325 2.525 4 10 [***+*-****] 1
872 3 14 ALA H 3 16 ILE MD . . 1.800 5.440 5.180 5.611 3.811 2 10 [*+**-*****] 1
873 3 14 ALA H 3 16 ILE QG . . 1.800 5.057 3.949 5.449 3.649 9 10 [*****-**+*] 1
874 3 14 ALA HA 3 15 ILE H . . 1.800 3.458 3.403 3.486 1.686 7 10 [*-****+***] 1
875 3 14 ALA HA 3 16 ILE H . . 1.800 4.580 4.346 4.701 2.901 9 10 [*****-**+*] 1
876 3 14 ALA HA 3 17 LYS H . . 1.800 3.303 3.094 3.679 1.879 2 10 [-+********] 1
877 3 14 ALA HA 3 17 LYS QB . . 1.800 2.456 2.168 3.025 1.225 2 8 "[ +**.****-]" 1
878 3 14 ALA MB 3 15 ILE H . . 1.800 2.671 2.569 2.927 1.127 2 10 [*+******-*] 1
879 3 14 ALA MB 3 15 ILE HB . . 1.800 4.490 4.327 4.668 2.868 6 10 [*****+*-**] 1
880 3 15 ILE H 3 15 ILE MD . . 1.800 3.256 2.404 3.429 1.629 1 10 [+-********] 1
881 3 15 ILE H 3 15 ILE QG . . 1.800 2.522 2.274 3.533 1.733 2 9 "[*+*-* ****]" 1
882 3 15 ILE H 3 15 ILE MG . . 1.800 3.672 3.578 3.746 1.946 6 10 [*****+*-**] 1
883 3 15 ILE H 3 16 ILE H . . 1.800 2.699 2.498 2.836 1.036 5 10 [*-**+*****] 1
884 3 15 ILE H 3 16 ILE HB . . 1.800 4.483 4.221 4.590 2.790 6 10 [*-***+****] 1
885 3 15 ILE H 3 16 ILE MD . . 1.800 5.430 5.142 5.766 3.966 6 10 [*-***+****] 1
886 3 15 ILE HA 3 15 ILE MD . . 1.800 3.734 2.868 3.909 2.109 6 10 [*-***+****] 1
887 3 15 ILE HA 3 15 ILE QG . . 1.800 2.373 2.313 2.464 0.664 4 10 [*-*+******] 1
888 3 15 ILE HA 3 15 ILE MG . . 1.800 2.541 2.424 2.650 0.850 10 10 [******-**+] 1
889 3 15 ILE HA 3 16 ILE H . . 1.800 3.576 3.503 3.637 1.837 10 10 [*****-***+] 1
890 3 15 ILE HA 3 18 ALA H . . 1.800 3.365 3.135 3.540 1.740 6 10 [-****+****] 1
891 3 15 ILE HA 4 8 ALA MB . . 1.800 5.102 4.929 5.410 3.610 5 10 [***-+*****] 1
892 3 15 ILE HB 3 15 ILE MD . . 1.800 2.328 2.251 2.395 0.595 1 8 "[+*- * ****]" 1
893 3 15 ILE HB 3 16 ILE H . . 1.800 2.675 2.579 2.863 1.063 2 10 [*+*****-**] 1
894 3 15 ILE HB 3 16 ILE HB . . 1.800 4.970 4.781 5.388 3.588 2 10 [*+**-*****] 1
895 3 15 ILE HB 4 8 ALA MB . . 1.800 3.384 3.049 3.717 1.917 5 10 [***-+*****] 1
896 3 15 ILE MD 3 15 ILE QG . . 1.800 1.870 1.825 1.897 0.097 2 0 "[ . 1]" 1
897 3 15 ILE MD 3 15 ILE MG . . 1.800 2.336 2.142 3.204 1.404 2 4 "[*+ . -*1]" 1
898 3 15 ILE MD 3 16 ILE H . . 1.800 4.509 4.243 4.661 2.861 10 10 [*-*******+] 1
899 3 15 ILE MD 4 7 ALA MB . . 1.800 4.416 3.447 5.356 3.556 2 10 [*+***-****] 1
900 3 15 ILE MD 4 8 ALA MB . . 1.800 3.544 3.133 4.501 2.701 2 10 [*+*****-**] 1
901 3 15 ILE MG 3 16 ILE H . . 1.800 3.154 2.899 3.358 1.558 6 10 [*****+**-*] 1
902 3 15 ILE MG 4 7 ALA H . . 1.800 5.323 4.575 6.111 4.311 8 10 [*****-*+**] 1
903 3 15 ILE MG 4 7 ALA MB . . 1.800 3.528 2.562 4.616 2.816 8 10 [*****-*+**] 1
904 3 15 ILE MG 4 8 ALA H . . 1.800 3.577 2.916 4.374 2.574 5 10 [****+-****] 1
905 3 15 ILE MG 4 8 ALA HA . . 1.800 2.610 2.122 3.796 1.996 8 6 "[** ** +-1]" 1
906 3 15 ILE MG 4 8 ALA MB . . 1.800 2.058 1.898 2.250 0.450 5 0 "[ . 1]" 1
907 3 16 ILE H 3 16 ILE MD . . 1.800 3.550 3.191 3.677 1.877 3 10 [*-+*******] 1
908 3 16 ILE H 3 16 ILE QG . . 1.800 2.169 2.043 2.283 0.483 3 0 "[ . 1]" 1
909 3 16 ILE H 3 16 ILE MG . . 1.800 3.744 3.680 3.820 2.020 6 10 [*****+***-] 1
910 3 16 ILE H 3 17 LYS H . . 1.800 3.000 2.948 3.101 1.301 2 10 [-+********] 1
911 3 16 ILE H 3 21 PHE QE . . 1.800 3.572 3.499 3.624 1.824 9 10 [***-****+*] 1
912 3 16 ILE HA 3 16 ILE MD . . 1.800 3.430 2.249 3.757 1.957 9 9 "[* ***-**+*]" 1
913 3 16 ILE HA 3 16 ILE QG . . 1.800 2.255 2.061 2.926 1.126 2 2 "[ + .- 1]" 1
914 3 16 ILE HA 3 16 ILE MG . . 1.800 2.565 2.418 2.654 0.854 7 10 [*-****+***] 1
915 3 16 ILE HA 3 17 LYS H . . 1.800 3.502 3.474 3.543 1.743 8 10 [**-****+**] 1
916 3 16 ILE HA 3 21 PHE QB . . 1.800 3.897 3.678 4.767 2.967 2 10 [*+**-*****] 1
917 3 16 ILE HB 3 16 ILE MD . . 1.800 2.673 2.479 3.276 1.476 6 10 [*****+***-] 1
918 3 16 ILE HB 3 17 LYS H . . 1.800 2.577 2.086 2.773 0.973 3 8 "[* +*- ****]" 1
919 3 16 ILE HB 3 17 LYS QB . . 1.800 4.082 3.808 4.189 2.389 10 10 [*-*******+] 1
920 3 16 ILE HB 3 18 ALA H . . 1.800 4.917 4.567 5.051 3.251 8 10 [*-*****+**] 1
921 3 16 ILE HB 3 21 PHE QE . . 1.800 4.705 4.582 4.919 3.119 2 10 [-+********] 1
922 3 16 ILE MD 3 16 ILE QG . . 1.800 1.880 1.862 1.892 0.092 7 0 "[ . 1]" 1
923 3 16 ILE MD 3 16 ILE MG . . 1.800 2.022 1.985 2.074 0.274 1 0 "[ . 1]" 1
924 3 16 ILE MD 3 17 LYS H . . 1.800 4.762 4.592 4.874 3.074 7 10 [*-****+***] 1
925 3 16 ILE MD 3 21 PHE H . . 1.800 4.794 4.352 4.974 3.174 10 10 [*-*******+] 1
926 3 16 ILE MD 3 21 PHE HA . . 1.800 5.740 5.410 5.853 4.053 7 10 [*****-+***] 1
927 3 16 ILE MD 3 21 PHE QB . . 1.800 3.344 2.876 4.379 2.579 2 10 [*+***-****] 1
928 3 16 ILE MD 3 21 PHE QD . . 1.800 3.748 3.049 3.940 2.140 7 10 [*****-+***] 1
929 3 16 ILE MD 3 21 PHE QE . . 1.800 3.944 3.304 4.264 2.464 9 10 [*-******+*] 1
930 3 16 ILE MD 3 21 PHE HZ . . 1.800 4.702 3.639 5.091 3.291 9 10 [*-******+*] 1
931 3 16 ILE QG 3 17 LYS H . . 1.800 4.116 3.783 4.213 2.413 9 10 [*****-**+*] 1
932 3 16 ILE QG 3 21 PHE H . . 1.800 4.284 3.787 5.756 3.956 6 10 [*****+*-**] 1
933 3 16 ILE QG 3 21 PHE QD . . 1.800 3.010 2.428 5.081 3.281 2 10 [*+*******-] 1
934 3 16 ILE QG 3 21 PHE QE . . 1.800 3.003 2.595 4.346 2.546 2 10 [*+*******-] 1
935 3 16 ILE QG 3 21 PHE HZ . . 1.800 3.972 3.467 5.015 3.215 6 10 [****-+****] 1
936 3 16 ILE MG 3 17 LYS H . . 1.800 3.061 2.878 3.159 1.359 1 10 [+****-****] 1
937 3 16 ILE MG 3 17 LYS HA . . 1.800 3.265 2.965 3.442 1.642 1 10 [+-********] 1
938 3 16 ILE MG 3 17 LYS QB . . 1.800 3.834 3.650 4.030 2.230 6 10 [**-**+****] 1
939 3 16 ILE MG 3 17 LYS QD . . 1.800 4.863 4.275 5.108 3.308 1 10 [+****-****] 1
940 3 16 ILE MG 3 20 GLY H . . 1.800 3.833 3.552 4.130 2.330 6 10 [-****+****] 1
941 3 16 ILE MG 3 21 PHE H . . 1.800 3.031 2.760 3.603 1.803 6 10 [*****+*-**] 1
942 3 16 ILE MG 3 21 PHE HA . . 1.800 4.838 4.757 4.981 3.181 6 10 [*****+***-] 1
943 3 16 ILE MG 3 21 PHE QB . . 1.800 2.675 2.286 4.635 2.835 2 9 [*+-******1] 1
944 3 16 ILE MG 3 21 PHE QD . . 1.800 2.845 2.541 3.699 1.899 2 10 [*+*******-] 1
945 3 16 ILE MG 3 21 PHE QE . . 1.800 4.103 3.998 4.260 2.460 2 10 [-+********] 1
946 3 16 ILE MG 3 21 PHE HZ . . 1.800 5.651 5.519 5.784 3.984 6 10 [*****+*-**] 1
947 3 17 LYS H 3 17 LYS QD . . 1.800 4.358 3.632 4.596 2.796 7 10 [*-****+***] 1
948 3 17 LYS H 3 17 LYS QE . . 1.800 4.472 3.730 5.331 3.531 8 10 [*****-*+**] 1
949 3 17 LYS H 3 17 LYS QG . . 1.800 3.506 2.007 3.891 2.091 3 8 "[- +** ****]" 1
950 3 17 LYS H 3 18 ALA H . . 1.800 2.738 2.561 2.895 1.095 8 10 [*-*****+**] 1
951 3 17 LYS HA 3 17 LYS QE . . 1.800 3.454 2.731 4.653 2.853 2 10 [*+-*******] 1
952 3 17 LYS HA 3 20 GLY H . . 1.800 4.077 3.742 4.311 2.511 5 10 [*-**+*****] 1
953 3 17 LYS QB 3 17 LYS QD . . 1.800 2.606 2.144 2.835 1.035 3 9 "[* +**-****]" 1
954 3 17 LYS QB 3 17 LYS QE . . 1.800 2.433 2.024 3.582 1.782 2 4 "[ + *. -* 1]" 1
955 3 17 LYS QB 3 17 LYS QG . . 1.800 2.009 1.979 2.094 0.294 2 0 "[ . 1]" 1
956 3 17 LYS QB 3 17 LYS QZ . . 1.800 3.557 2.949 3.972 2.172 8 10 [-******+**] 1
957 3 17 LYS QB 3 18 ALA H . . 1.800 2.880 2.336 3.077 1.277 10 10 [*-*******+] 1
958 3 17 LYS QD 3 17 LYS QE . . 1.800 1.964 1.691 2.089 0.289 3 0 "[ . 1]" 1
959 3 17 LYS QD 3 17 LYS QZ . . 1.800 2.039 1.928 2.170 0.370 1 0 "[ . 1]" 1
960 3 17 LYS QD 3 18 ALA H . . 1.800 4.740 4.543 5.185 3.385 6 10 [*-***+****] 1
961 3 17 LYS QE 3 17 LYS QG . . 1.800 2.250 1.941 2.668 0.868 1 3 "[+ .*- 1]" 1
962 3 17 LYS QE 3 17 LYS QZ . . 1.800 1.704 1.318 1.839 0.039 3 0 "[ . 1]" 1
963 3 17 LYS QG 3 17 LYS QZ . . 1.800 3.090 2.207 3.423 1.623 6 9 "[ -***+****]" 1
964 3 17 LYS QG 3 18 ALA H . . 1.800 3.748 3.608 3.947 2.147 2 10 [*+**-*****] 1
965 3 18 ALA H 3 18 ALA MB . . 1.800 2.260 2.201 2.334 0.534 9 1 "[ . +1]" 1
966 3 18 ALA H 3 19 GLY H . . 1.800 2.463 2.326 2.614 0.814 6 10 [*****+**-*] 1
967 3 18 ALA H 3 19 GLY QA . . 1.800 4.294 4.194 4.452 2.652 2 10 [*+*******-] 1
968 3 18 ALA HA 3 19 GLY H . . 1.800 3.576 3.517 3.635 1.835 4 10 [***+****-*] 1
969 3 18 ALA MB 3 19 GLY H . . 1.800 2.569 2.477 2.688 0.888 4 10 [**-+******] 1
970 3 18 ALA MB 3 21 PHE QE . . 1.800 4.864 4.670 5.029 3.229 10 10 [*******-*+] 1
971 3 19 GLY H 3 20 GLY H . . 1.800 2.835 2.709 2.920 1.120 1 10 [+**-******] 1
972 3 19 GLY H 3 20 GLY QA . . 1.800 4.621 4.545 4.702 2.902 1 10 [+**-******] 1
973 3 19 GLY H 3 21 PHE QD . . 1.800 3.784 3.658 4.021 2.221 6 10 [*-***+****] 1
974 3 19 GLY H 3 21 PHE QE . . 1.800 3.307 3.101 3.510 1.710 6 10 [*****+*-**] 1
975 3 19 GLY H 3 21 PHE HZ . . 1.800 5.494 5.427 5.579 3.779 10 10 [***-*****+] 1
976 3 19 GLY QA 3 20 GLY H . . 1.800 2.750 2.558 2.948 1.148 5 10 [-***+*****] 1
977 3 19 GLY QA 3 21 PHE QD . . 1.800 2.960 2.444 3.327 1.527 6 10 [*-***+****] 1
978 3 19 GLY QA 3 21 PHE QE . . 1.800 2.739 2.357 2.979 1.179 1 10 [+*******-*] 1
979 3 19 GLY QA 3 21 PHE HZ . . 1.800 4.303 3.903 4.488 2.688 2 10 [*+******-*] 1
980 3 20 GLY H 3 21 PHE HA . . 1.800 4.930 4.673 5.218 3.418 10 10 [-********+] 1
981 3 20 GLY H 3 21 PHE QB . . 1.800 4.524 4.383 4.672 2.872 9 10 [-*******+*] 1
982 3 20 GLY QA 3 21 PHE H . . 1.800 2.718 2.618 2.902 1.102 6 10 [****-+****] 1
983 3 21 PHE QD 4 4 ALA H . . 1.800 5.264 4.701 5.680 3.880 8 10 [*-*****+**] 1
984 3 21 PHE QD 4 4 ALA HA . . 1.800 6.424 6.155 6.618 4.818 9 10 [*-******+*] 1
985 3 21 PHE QD 4 4 ALA MB . . 1.800 3.710 3.343 3.944 2.144 9 10 [*-******+*] 1
986 3 21 PHE QD 4 5 ALA H . . 1.800 4.989 4.669 5.200 3.400 4 10 [*-*+******] 1
987 3 21 PHE QD 4 5 ALA HA . . 1.800 4.262 3.423 4.777 2.977 7 10 [******+-**] 1
988 3 21 PHE QD 4 5 ALA MB . . 1.800 3.062 2.621 3.589 1.789 1 10 [+******-**] 1
989 3 21 PHE QD 4 8 ALA H . . 1.800 6.532 6.361 6.625 4.825 3 10 [**+****-**] 1
990 3 21 PHE QD 4 8 ALA HA . . 1.800 7.301 7.196 7.432 5.632 8 10 [******-+**] 1
991 3 21 PHE QE 4 2 ALA HA . . 1.800 4.062 3.166 5.390 3.590 6 10 [*****+-***] 1
992 3 21 PHE QE 4 3 LYS H . . 1.800 6.088 5.834 6.266 4.466 10 10 [******-**+] 1
993 3 21 PHE QE 4 4 ALA MB . . 1.800 2.659 2.521 2.825 1.025 3 10 [**+*-*****] 1
994 3 21 PHE QE 4 5 ALA HA . . 1.800 2.221 2.042 2.485 0.685 7 2 "[ .-+ 1]" 1
995 3 21 PHE QE 4 5 ALA MB . . 1.800 2.340 2.059 3.069 1.269 8 4 "[*- * + 1]" 1
996 3 21 PHE QE 4 8 ALA HA . . 1.800 5.253 5.126 5.378 3.578 1 10 [+*****-***] 1
997 3 21 PHE HZ 4 4 ALA H . . 1.800 4.863 4.636 5.104 3.304 5 10 [-***+*****] 1
998 3 21 PHE HZ 4 4 ALA HA . . 1.800 4.564 4.136 5.059 3.259 2 10 [*+***-****] 1
999 3 21 PHE HZ 4 4 ALA MB . . 1.800 2.565 2.246 2.831 1.031 2 9 "[*+*-*** **]" 1
1000 3 21 PHE HZ 4 5 ALA H . . 1.800 4.295 3.855 4.464 2.664 9 10 [*****-**+*] 1
1001 3 21 PHE HZ 4 5 ALA HA . . 1.800 2.955 2.486 3.344 1.544 8 10 [-******+**] 1
1002 3 21 PHE HZ 4 5 ALA MB . . 1.800 3.884 3.788 3.951 2.151 8 10 [****-**+**] 1
1003 3 21 PHE HZ 4 8 ALA HA . . 1.800 4.586 4.439 4.809 3.009 8 10 [*-*****+**] 1
1004 3 21 PHE HZ 4 9 ILE MD . . 1.800 4.728 4.622 4.847 3.047 2 10 [-+********] 1
1005 4 2 ALA H 4 4 ALA H . . 1.800 4.370 3.798 5.242 3.442 10 10 [********-+] 1
1006 4 2 ALA H 4 5 ALA MB . . 1.800 4.655 4.354 4.951 3.151 3 10 [**+****-**] 1
1007 4 2 ALA MB 4 4 ALA MB . . 1.800 4.721 3.590 5.014 3.214 6 10 [*****+***-] 1
1008 4 3 LYS H 4 3 LYS QD . . 1.800 3.834 3.444 4.214 2.414 8 10 [*******+-*] 1
1009 4 3 LYS H 4 3 LYS QE . . 1.800 4.068 3.126 5.179 3.379 2 10 [*+*****-**] 1
1010 4 3 LYS H 4 3 LYS QG . . 1.800 2.350 2.156 2.659 0.859 8 7 "[ *-*** +*1]" 1
1011 4 3 LYS H 4 4 ALA H . . 1.800 2.592 2.349 2.784 0.984 3 10 [**+**-****] 1
1012 4 3 LYS H 4 5 ALA H . . 1.800 4.076 3.827 4.321 2.521 10 10 [*****-***+] 1
1013 4 3 LYS H 4 5 ALA MB . . 1.800 4.662 4.554 4.942 3.142 10 10 [****-****+] 1
1014 4 3 LYS HA 4 3 LYS QD . . 1.800 3.794 2.501 3.994 2.194 8 10 [****-**+**] 1
1015 4 3 LYS HA 4 3 LYS QE . . 1.800 4.218 2.237 4.635 2.835 6 9 [****.+*-**] 1
1016 4 3 LYS HA 4 3 LYS QG . . 1.800 2.429 2.225 3.044 1.244 5 8 "[* *-+** **]" 1
1017 4 3 LYS HA 4 4 ALA H . . 1.800 3.443 3.419 3.480 1.680 8 10 [*******+*-] 1
1018 4 3 LYS HA 4 5 ALA H . . 1.800 3.677 3.444 3.929 2.129 1 10 [+********-] 1
1019 4 3 LYS HA 4 5 ALA MB . . 1.800 4.529 4.151 4.782 2.982 1 10 [+****-****] 1
1020 4 3 LYS QB 4 3 LYS QD . . 1.800 2.170 2.070 2.422 0.622 5 2 "[ + -]" 1
1021 4 3 LYS QB 4 3 LYS QE . . 1.800 3.133 2.084 3.481 1.681 4 8 "[***+-** *1]" 1
1022 4 3 LYS QB 4 3 LYS QG . . 1.800 2.067 1.938 2.097 0.297 1 0 "[ . 1]" 1
1023 4 3 LYS QB 4 4 ALA H . . 1.800 2.740 2.555 2.917 1.117 2 10 [-+********] 1
1024 4 3 LYS QB 4 5 ALA H . . 1.800 4.505 4.435 4.601 2.801 2 10 [*+*******-] 1
1025 4 3 LYS QD 4 3 LYS QE . . 1.800 1.931 1.370 2.098 0.298 7 0 "[ . 1]" 1
1026 4 3 LYS QE 4 3 LYS QG . . 1.800 2.076 1.948 2.269 0.469 10 0 "[ . 1]" 1
1027 4 4 ALA H 4 4 ALA MB . . 1.800 2.100 2.058 2.137 0.337 1 0 "[ . 1]" 1
1028 4 4 ALA H 4 5 ALA H . . 1.800 2.703 2.475 2.870 1.070 9 10 [*-******+*] 1
1029 4 4 ALA H 4 5 ALA MB . . 1.800 4.093 3.960 4.200 2.400 8 10 [*-*****+**] 1
1030 4 4 ALA HA 4 5 ALA H . . 1.800 3.362 3.276 3.453 1.653 8 10 [**-****+**] 1
1031 4 4 ALA HA 4 7 ALA H . . 1.800 3.703 3.076 4.477 2.677 5 10 [****+-****] 1
1032 4 4 ALA MB 4 5 ALA H . . 1.800 3.166 2.853 3.314 1.514 10 10 [*****-***+] 1
1033 4 4 ALA MB 4 5 ALA HA . . 1.800 3.835 3.573 4.106 2.306 6 10 [****-+****] 1
1034 4 5 ALA H 4 5 ALA MB . . 1.800 2.214 2.174 2.250 0.450 4 0 "[ . 1]" 1
1035 4 5 ALA H 4 6 ALA H . . 1.800 2.902 2.827 2.994 1.194 1 10 [+******-**] 1
1036 4 5 ALA H 4 6 ALA HA . . 1.800 5.416 5.342 5.475 3.675 3 10 [**+-******] 1
1037 4 5 ALA H 4 7 ALA H . . 1.800 4.433 4.202 4.563 2.763 9 10 [-*******+*] 1
1038 4 5 ALA H 4 9 ILE MD . . 1.800 5.917 5.722 6.148 4.348 2 10 [*+***-****] 1
1039 4 5 ALA HA 4 6 ALA H . . 1.800 3.313 3.062 3.567 1.767 2 10 [*+*****-**] 1
1040 4 5 ALA HA 4 7 ALA H . . 1.800 4.372 4.048 4.658 2.858 8 10 [-******+**] 1
1041 4 5 ALA HA 4 8 ALA H . . 1.800 3.323 3.025 3.739 1.939 8 10 [*-*****+**] 1
1042 4 5 ALA HA 4 8 ALA MB . . 1.800 2.815 2.310 3.081 1.281 6 10 [*-***+****] 1
1043 4 5 ALA HA 4 9 ILE H . . 1.800 3.708 3.440 3.985 2.185 3 10 [*-+*******] 1
1044 4 5 ALA HA 4 9 ILE MD . . 1.800 3.627 3.309 4.065 2.265 2 10 [*+*******-] 1
1045 4 5 ALA MB 4 6 ALA H . . 1.800 3.145 2.472 3.550 1.750 9 10 [-*******+*] 1
1046 4 5 ALA MB 4 6 ALA HA . . 1.800 4.218 3.868 4.470 2.670 8 10 [-******+**] 1
1047 4 5 ALA MB 4 6 ALA MB . . 1.800 4.173 3.750 4.425 2.625 7 10 [-*****+***] 1
1048 4 5 ALA MB 4 7 ALA H . . 1.800 4.887 4.364 5.203 3.403 8 10 [-******+**] 1
1049 4 5 ALA MB 4 9 ILE MD . . 1.800 3.393 3.026 3.576 1.776 8 10 [**-****+**] 1
1050 4 5 ALA MB 4 9 ILE QG . . 1.800 3.213 2.488 4.264 2.464 3 10 [**+*-*****] 1
1051 4 5 ALA MB 4 9 ILE MG . . 1.800 5.027 4.505 5.449 3.649 10 10 [****-****+] 1
1052 4 6 ALA H 4 6 ALA MB . . 1.800 2.353 2.207 2.499 0.699 9 6 "[ -.***+*]" 1
1053 4 6 ALA H 4 7 ALA H . . 1.800 2.384 1.972 2.837 1.037 2 4 "[*+- * 1]" 1
1054 4 6 ALA H 4 10 LYS QG . . 1.800 5.565 5.268 5.735 3.935 3 10 [-*+*******] 1
1055 4 6 ALA HA 4 7 ALA H . . 1.800 3.505 3.376 3.583 1.783 8 10 [-******+**] 1
1056 4 6 ALA HA 4 9 ILE H . . 1.800 3.771 3.568 3.929 2.129 8 10 [*******+*-] 1
1057 4 6 ALA HA 4 9 ILE MD . . 1.800 4.854 4.274 5.437 3.637 5 10 [****+****-] 1
1058 4 6 ALA HA 4 9 ILE MG . . 1.800 4.393 4.018 4.609 2.809 1 10 [+*-*******] 1
1059 4 6 ALA HA 4 10 LYS H . . 1.800 3.882 3.378 4.129 2.329 8 10 [-******+**] 1
1060 4 7 ALA H 4 7 ALA MB . . 1.800 2.191 2.141 2.248 0.448 2 0 "[ . 1]" 1
1061 4 7 ALA H 4 8 ALA H . . 1.800 2.833 2.573 3.001 1.201 6 10 [-****+****] 1
1062 4 7 ALA H 4 8 ALA HA . . 1.800 5.410 5.167 5.564 3.764 6 10 [-****+****] 1
1063 4 7 ALA H 4 8 ALA MB . . 1.800 4.453 4.189 4.594 2.794 6 10 [*-***+****] 1
1064 4 7 ALA H 4 9 ILE H . . 1.800 4.271 4.112 4.382 2.582 5 10 [****+****-] 1
1065 4 7 ALA H 4 10 LYS QB . . 1.800 4.821 4.639 5.023 3.223 1 10 [+******-**] 1
1066 4 7 ALA HA 4 8 ALA H . . 1.800 3.548 3.490 3.597 1.797 7 10 [****-*+***] 1
1067 4 7 ALA HA 4 10 LYS H . . 1.800 3.757 3.501 4.345 2.545 1 10 [+*******-*] 1
1068 4 7 ALA HA 4 11 ALA H . . 1.800 4.293 4.098 4.654 2.854 3 10 [**+**-****] 1
1069 4 7 ALA MB 4 8 ALA H . . 1.800 2.765 2.599 2.955 1.155 1 10 [+********-] 1
1070 4 8 ALA H 4 8 ALA MB . . 1.800 2.178 2.128 2.285 0.485 1 0 "[ . 1]" 1
1071 4 8 ALA H 4 9 ILE H . . 1.800 2.401 2.295 2.509 0.709 3 9 "[ *+**-****]" 1
1072 4 8 ALA H 4 9 ILE MD . . 1.800 4.783 4.449 5.198 3.398 5 10 [****+-****] 1
1073 4 8 ALA H 4 9 ILE MG . . 1.800 5.636 5.576 5.686 3.886 10 10 [**-******+] 1
1074 4 8 ALA HA 4 9 ILE H . . 1.800 3.472 3.422 3.534 1.734 3 10 [**+***-***] 1
1075 4 8 ALA HA 4 10 LYS H . . 1.800 4.582 4.498 4.649 2.849 1 10 [+******-**] 1
1076 4 8 ALA MB 4 9 ILE H . . 1.800 2.510 2.335 2.686 0.886 10 10 [*-*******+] 1
1077 4 8 ALA MB 4 9 ILE MD . . 1.800 3.221 2.943 3.487 1.687 5 10 [****+*-***] 1
1078 4 8 ALA MB 4 9 ILE QG . . 1.800 2.819 2.346 3.158 1.358 6 10 [**-**+****] 1
1079 4 8 ALA MB 4 9 ILE MG . . 1.800 4.692 4.586 4.783 2.983 10 10 [**-******+] 1
1080 4 8 ALA MB 4 11 ALA H . . 1.800 4.827 4.671 5.014 3.214 1 10 [+********-] 1
1081 4 9 ILE H 4 9 ILE MD . . 1.800 3.297 3.035 3.635 1.835 3 10 [**+**-****] 1
1082 4 9 ILE H 4 9 ILE QG . . 1.800 2.029 1.913 2.572 0.772 3 1 "[ + . 1]" 1
1083 4 9 ILE H 4 9 ILE MG . . 1.800 3.691 3.562 3.749 1.949 1 10 [+*-*******] 1
1084 4 9 ILE H 4 10 LYS H . . 1.800 2.501 2.407 2.588 0.788 1 10 [+*-*******] 1
1085 4 9 ILE HA 4 9 ILE MD . . 1.800 2.563 2.273 3.547 1.747 3 9 [**+-*****1] 1
1086 4 9 ILE HA 4 9 ILE QG . . 1.800 2.942 2.028 3.180 1.380 6 9 "[** *-+****]" 1
1087 4 9 ILE HA 4 9 ILE MG . . 1.800 2.251 2.098 2.532 0.732 3 4 "[ +*- *1]" 1
1088 4 9 ILE HA 4 10 LYS H . . 1.800 3.500 3.441 3.553 1.753 9 10 [**-*****+*] 1
1089 4 9 ILE HB 4 9 ILE MD . . 1.800 3.135 2.468 3.244 1.444 4 10 [**-+******] 1
1090 4 9 ILE HB 4 13 ALA H . . 1.800 5.156 5.082 5.260 3.460 5 10 [****+***-*] 1
1091 4 9 ILE MD 4 9 ILE QG . . 1.800 1.848 1.811 1.886 0.086 10 0 "[ . 1]" 1
1092 4 9 ILE MD 4 10 LYS H . . 1.800 4.746 4.568 5.150 3.350 3 10 [**+******-] 1
1093 4 9 ILE MD 4 12 ILE H . . 1.800 5.251 5.064 5.487 3.687 3 10 [**+****-**] 1
1094 4 9 ILE MD 4 12 ILE HB . . 1.800 5.011 4.410 5.352 3.552 6 10 [*****+*-**] 1
1095 4 9 ILE MD 4 13 ALA H . . 1.800 5.138 4.971 5.237 3.437 3 10 [**+*-*****] 1
1096 4 9 ILE MD 4 13 ALA MB . . 1.800 4.657 4.518 4.843 3.043 8 10 [***-***+**] 1
1097 4 9 ILE QG 4 9 ILE MG . . 1.800 2.382 2.297 2.462 0.662 5 9 "[****+* **-]" 1
1098 4 9 ILE QG 4 10 LYS H . . 1.800 3.813 3.616 4.304 2.504 3 10 [**+**-****] 1
1099 4 9 ILE MG 4 10 LYS H . . 1.800 3.584 3.507 3.660 1.860 6 10 [*****+***-] 1
1100 4 9 ILE MG 4 10 LYS HA . . 1.800 3.698 3.448 3.835 2.035 7 10 [-*****+***] 1
1101 4 9 ILE MG 4 10 LYS QB . . 1.800 4.749 4.544 4.848 3.048 7 10 [-*****+***] 1
1102 4 9 ILE MG 4 10 LYS QG . . 1.800 3.686 3.264 3.949 2.149 10 10 [-********+] 1
1103 4 9 ILE MG 4 11 ALA H . . 1.800 4.966 4.701 5.055 3.255 9 10 [**-*****+*] 1
1104 4 9 ILE MG 4 12 ILE HB . . 1.800 4.996 4.435 5.322 3.522 6 10 [*****+*-**] 1
1105 4 10 LYS H 4 10 LYS QD . . 1.800 3.842 3.680 4.091 2.291 7 10 [******+**-] 1
1106 4 10 LYS H 4 10 LYS QE . . 1.800 4.631 4.407 4.861 3.061 1 10 [+****-****] 1
1107 4 10 LYS H 4 10 LYS QG . . 1.800 2.514 2.341 2.739 0.939 3 10 [**+******-] 1
1108 4 10 LYS H 4 11 ALA H . . 1.800 2.590 2.461 2.723 0.923 9 10 [**-*****+*] 1
1109 4 10 LYS H 4 13 ALA MB . . 1.800 4.970 4.858 5.112 3.312 1 10 [+-********] 1
1110 4 10 LYS HA 4 10 LYS QD . . 1.800 3.497 2.137 4.238 2.438 5 8 "[****+ -**1]" 1
1111 4 10 LYS HA 4 10 LYS QE . . 1.800 4.152 3.018 4.529 2.729 9 10 [********+-] 1
1112 4 10 LYS HA 4 10 LYS QG . . 1.800 2.494 2.284 2.943 1.143 6 9 "[ -***+****]" 1
1113 4 10 LYS HA 4 11 ALA H . . 1.800 3.444 3.365 3.496 1.696 9 10 [**-*****+*] 1
1114 4 10 LYS HA 4 12 ILE H . . 1.800 4.497 3.792 4.700 2.900 7 10 [******+**-] 1
1115 4 10 LYS HA 4 13 ALA H . . 1.800 3.823 3.717 3.945 2.145 7 10 [*-****+***] 1
1116 4 10 LYS HA 4 13 ALA MB . . 1.800 3.361 3.045 3.613 1.813 7 10 [*-****+***] 1
1117 4 10 LYS QB 4 10 LYS QD . . 1.800 2.280 2.077 2.859 1.059 10 4 "[- ** +]" 1
1118 4 10 LYS QB 4 10 LYS QE . . 1.800 3.118 2.087 3.604 1.804 6 7 "[ -**.+***1]" 1
1119 4 10 LYS QB 4 10 LYS QG . . 1.800 2.076 1.983 2.126 0.326 5 0 "[ . 1]" 1
1120 4 10 LYS QB 4 10 LYS QZ . . 1.800 3.815 3.433 4.236 2.436 6 10 [-****+****] 1
1121 4 10 LYS QB 4 11 ALA H . . 1.800 2.910 2.664 3.029 1.229 6 10 [*****+***-] 1
1122 4 10 LYS QD 4 10 LYS QG . . 1.800 2.061 1.973 2.115 0.315 6 0 "[ . 1]" 1
1123 4 10 LYS QD 4 10 LYS QZ . . 1.800 2.055 1.879 2.144 0.344 2 0 "[ . 1]" 1
1124 4 10 LYS QE 4 10 LYS QZ . . 1.800 1.763 1.547 1.837 0.037 3 0 "[ . 1]" 1
1125 4 10 LYS QG 4 10 LYS QZ . . 1.800 3.274 3.108 3.415 1.615 5 10 [****+****-] 1
1126 4 11 ALA H 4 11 ALA MB . . 1.800 2.261 2.202 2.358 0.558 3 1 "[ + . 1]" 1
1127 4 11 ALA H 4 12 ILE H . . 1.800 2.704 2.610 2.829 1.029 10 10 [-********+] 1
1128 4 11 ALA H 4 15 ILE MD . . 1.800 4.808 4.469 4.953 3.153 1 10 [+********-] 1
1129 4 11 ALA HA 4 12 ILE H . . 1.800 3.561 3.428 3.605 1.805 8 10 [*******+*-] 1
1130 4 11 ALA HA 4 13 ALA H . . 1.800 4.969 4.871 5.135 3.335 10 10 [-********+] 1
1131 4 11 ALA HA 4 15 ILE MD . . 1.800 3.118 2.301 3.469 1.669 5 10 [****+****-] 1
1132 4 12 ILE H 4 12 ILE MD . . 1.800 4.473 4.395 4.705 2.905 10 10 [****-****+] 1
1133 4 12 ILE H 4 12 ILE QG . . 1.800 3.706 3.561 3.928 2.128 10 10 [*******-*+] 1
1134 4 12 ILE H 4 12 ILE MG . . 1.800 2.668 2.243 2.954 1.154 8 9 [******-+*1] 1
1135 4 12 ILE H 4 13 ALA H . . 1.800 2.804 2.191 2.915 1.115 3 9 [**+*****-1] 1
1136 4 12 ILE HA 4 12 ILE MD . . 1.800 2.835 2.394 3.630 1.830 7 10 [-*****+***] 1
1137 4 12 ILE HA 4 12 ILE QG . . 1.800 2.252 2.095 2.372 0.572 1 5 "[+ -*.* * 1]" 1
1138 4 12 ILE HA 4 12 ILE MG . . 1.800 3.170 3.136 3.214 1.414 10 10 [-********+] 1
1139 4 12 ILE HA 4 13 ALA H . . 1.800 3.536 3.515 3.568 1.768 10 10 [********-+] 1
1140 4 12 ILE HA 4 15 ILE H . . 1.800 3.239 3.146 3.391 1.591 10 10 [********-+] 1
1141 4 12 ILE HA 4 15 ILE HB . . 1.800 2.289 2.161 2.469 0.669 10 5 "[ * .-* *+]" 1
1142 4 12 ILE HA 4 15 ILE QG . . 1.800 3.686 3.603 3.786 1.986 2 10 [*+**-*****] 1
1143 4 12 ILE HA 4 15 ILE MG . . 1.800 3.687 3.437 3.836 2.036 9 10 [*******-+*] 1
1144 4 12 ILE HA 4 16 ILE H . . 1.800 3.609 3.568 3.669 1.869 10 10 [-********+] 1
1145 4 12 ILE HB 4 12 ILE MD . . 1.800 3.082 2.529 3.240 1.440 6 10 [*****+***-] 1
1146 4 12 ILE HB 4 15 ILE MG . . 1.800 5.552 5.433 5.627 3.827 9 10 [*******-+*] 1
1147 4 12 ILE MD 4 12 ILE MG . . 1.800 2.182 2.100 2.356 0.556 8 1 "[ . + 1]" 1
1148 4 12 ILE QG 4 13 ALA H . . 1.800 4.498 3.620 4.735 2.935 3 10 [**+******-] 1
1149 4 12 ILE QG 4 15 ILE MD . . 1.800 3.458 3.160 4.487 2.687 10 10 [****-****+] 1
1150 4 12 ILE QG 4 15 ILE MG . . 1.800 3.955 3.801 4.041 2.241 6 10 [*****+*-**] 1
1151 4 12 ILE MG 4 13 ALA H . . 1.800 2.283 2.144 2.375 0.575 3 5 "[* +-. ** 1]" 1
1152 4 12 ILE MG 4 13 ALA HA . . 1.800 3.347 3.265 3.450 1.650 9 10 [*******-+*] 1
1153 4 12 ILE MG 4 13 ALA MB . . 1.800 3.086 2.815 3.189 1.389 3 10 [**+*****-*] 1
1154 4 12 ILE MG 4 16 ILE HB . . 1.800 4.610 4.333 4.984 3.184 9 10 [*******-+*] 1
1155 4 12 ILE MG 4 16 ILE MG . . 1.800 5.036 4.769 5.199 3.399 2 10 [*+*****-**] 1
1156 4 13 ALA H 4 13 ALA MB . . 1.800 2.225 2.170 2.268 0.468 1 0 "[ . 1]" 1
1157 4 13 ALA H 4 14 ALA H . . 1.800 2.655 2.554 2.749 0.949 9 10 [*****-**+*] 1
1158 4 13 ALA H 4 16 ILE HB . . 1.800 4.889 4.792 5.086 3.286 9 10 [******-*+*] 1
1159 4 13 ALA HA 4 14 ALA H . . 1.800 3.376 2.980 3.463 1.663 8 10 [*******+-*] 1
1160 4 13 ALA HA 4 16 ILE H . . 1.800 3.409 3.352 3.514 1.714 2 10 [*+******-*] 1
1161 4 13 ALA HA 4 16 ILE HB . . 1.800 2.349 2.279 2.453 0.653 2 7 "[ +**- ***]" 1
1162 4 13 ALA HA 4 16 ILE MD . . 1.800 2.800 2.488 3.704 1.904 9 10 [*******-+*] 1
1163 4 13 ALA HA 4 16 ILE QG . . 1.800 3.411 2.076 3.645 1.845 6 9 "[*****+** -]" 1
1164 4 13 ALA HA 4 16 ILE MG . . 1.800 3.627 3.493 3.722 1.922 3 10 [**+***-***] 1
1165 4 13 ALA HA 4 17 LYS H . . 1.800 4.039 3.940 4.208 2.408 9 10 [***-****+*] 1
1166 4 13 ALA MB 4 14 ALA H . . 1.800 2.909 2.708 3.423 1.623 9 10 [********+-] 1
1167 4 13 ALA MB 4 15 ILE H . . 1.800 4.601 4.473 4.951 3.151 9 10 [********+-] 1
1168 4 13 ALA MB 4 16 ILE H . . 1.800 4.690 4.656 4.740 2.940 9 10 [*******-+*] 1
1169 4 13 ALA MB 4 16 ILE HB . . 1.800 3.860 3.798 3.910 2.110 2 10 [-+********] 1
1170 4 13 ALA MB 4 16 ILE MD . . 1.800 3.797 3.495 4.198 2.398 9 10 [****-***+*] 1
1171 4 13 ALA MB 4 16 ILE MG . . 1.800 4.334 4.204 4.432 2.632 2 10 [*+******-*] 1
1172 4 14 ALA H 4 14 ALA MB . . 1.800 2.310 2.231 2.611 0.811 9 3 "[ *- +1]" 1
1173 4 14 ALA H 4 15 ILE H . . 1.800 2.245 1.913 2.429 0.629 10 2 "[- . +]" 1
1174 4 14 ALA H 4 15 ILE HB . . 1.800 4.269 3.873 4.530 2.730 10 10 [********-+] 1
1175 4 14 ALA H 4 16 ILE MD . . 1.800 5.389 5.082 5.543 3.743 10 10 [****-****+] 1
1176 4 14 ALA H 4 16 ILE QG . . 1.800 5.160 3.920 5.396 3.596 6 10 [*****+**-*] 1
1177 4 14 ALA HA 4 15 ILE H . . 1.800 3.470 3.424 3.522 1.722 9 10 [***-****+*] 1
1178 4 14 ALA HA 4 16 ILE H . . 1.800 4.588 4.368 4.739 2.939 5 10 [****+***-*] 1
1179 4 14 ALA HA 4 17 LYS H . . 1.800 3.292 3.109 3.453 1.653 4 10 [*-*+******] 1
1180 4 14 ALA HA 4 17 LYS QB . . 1.800 2.389 2.198 2.656 0.856 9 8 "[ ******+-]" 1
1181 4 14 ALA MB 4 15 ILE H . . 1.800 2.644 2.539 2.726 0.926 5 10 [****+*-***] 1
1182 4 14 ALA MB 4 15 ILE HB . . 1.800 4.569 4.376 4.700 2.900 9 10 [*******-+*] 1
1183 4 15 ILE H 4 15 ILE MD . . 1.800 3.235 2.096 3.403 1.603 8 9 [*******+-1] 1
1184 4 15 ILE H 4 15 ILE QG . . 1.800 2.488 2.253 3.403 1.603 10 9 "[******-* +]" 1
1185 4 15 ILE H 4 15 ILE MG . . 1.800 3.720 3.657 3.777 1.977 7 10 [****-*+***] 1
1186 4 15 ILE H 4 16 ILE H . . 1.800 2.676 2.467 2.759 0.959 5 10 [****+****-] 1
1187 4 15 ILE H 4 16 ILE HB . . 1.800 4.467 4.277 4.557 2.757 1 10 [+********-] 1
1188 4 15 ILE H 4 16 ILE MD . . 1.800 5.409 5.110 5.788 3.988 9 10 [****-***+*] 1
1189 4 15 ILE HA 4 15 ILE MD . . 1.800 3.739 2.910 3.879 2.079 7 10 [******+**-] 1
1190 4 15 ILE HA 4 15 ILE QG . . 1.800 2.384 2.294 2.442 0.642 10 9 "[* -******+]" 1
1191 4 15 ILE HA 4 15 ILE MG . . 1.800 2.434 2.318 2.536 0.736 8 10 [**-****+**] 1
1192 4 15 ILE HA 4 16 ILE H . . 1.800 3.581 3.526 3.629 1.829 3 10 [-*+*******] 1
1193 4 15 ILE HA 4 18 ALA H . . 1.800 3.330 3.239 3.527 1.727 9 10 [*-******+*] 1
1194 4 15 ILE HB 4 15 ILE MD . . 1.800 2.348 2.277 2.460 0.660 10 8 "[** *-***+]" 1
1195 4 15 ILE HB 4 16 ILE H . . 1.800 2.651 2.596 2.734 0.934 3 10 [**+***-***] 1
1196 4 15 ILE HB 4 16 ILE HB . . 1.800 4.935 4.746 5.160 3.360 9 10 [******-*+*] 1
1197 4 15 ILE MD 4 15 ILE QG . . 1.800 1.872 1.812 1.899 0.099 3 0 "[ . 1]" 1
1198 4 15 ILE MD 4 15 ILE MG . . 1.800 2.331 2.120 3.279 1.479 10 4 "[- * *+]" 1
1199 4 15 ILE MD 4 16 ILE H . . 1.800 4.464 3.968 4.572 2.772 3 10 [**+******-] 1
1200 4 15 ILE MG 4 16 ILE H . . 1.800 3.268 3.103 3.450 1.650 9 10 [*******-+*] 1
1201 4 16 ILE H 4 16 ILE MD . . 1.800 3.602 3.375 3.746 1.946 9 10 [****-***+*] 1
1202 4 16 ILE H 4 16 ILE QG . . 1.800 2.185 2.053 2.282 0.482 6 0 "[ . 1]" 1
1203 4 16 ILE H 4 16 ILE MG . . 1.800 3.752 3.685 3.797 1.997 1 10 [+*****-***] 1
1204 4 16 ILE H 4 17 LYS H . . 1.800 2.975 2.918 3.044 1.244 5 10 [****+*-***] 1
1205 4 16 ILE H 4 21 PHE QE . . 1.800 3.589 3.505 3.651 1.851 9 10 [-*******+*] 1
1206 4 16 ILE HA 4 16 ILE MD . . 1.800 3.615 2.743 3.777 1.977 5 10 [****+***-*] 1
1207 4 16 ILE HA 4 16 ILE QG . . 1.800 2.179 2.118 2.288 0.488 9 0 "[ . 1]" 1
1208 4 16 ILE HA 4 16 ILE MG . . 1.800 2.587 2.538 2.653 0.853 7 10 [****-*+***] 1
1209 4 16 ILE HA 4 17 LYS H . . 1.800 3.497 3.468 3.523 1.723 7 10 [**-***+***] 1
1210 4 16 ILE HA 4 21 PHE QB . . 1.800 3.787 3.513 3.951 2.151 1 10 [+*-*******] 1
1211 4 16 ILE HB 4 16 ILE MD . . 1.800 2.576 2.410 3.209 1.409 9 10 [*******-+*] 1
1212 4 16 ILE HB 4 17 LYS H . . 1.800 2.620 2.332 2.700 0.900 7 10 [******+*-*] 1
1213 4 16 ILE HB 4 17 LYS QB . . 1.800 4.128 4.084 4.183 2.383 6 10 [*-***+****] 1
1214 4 16 ILE HB 4 18 ALA H . . 1.800 4.941 4.673 5.039 3.239 3 10 [**+*****-*] 1
1215 4 16 ILE HB 4 21 PHE QE . . 1.800 4.707 4.619 4.855 3.055 5 10 [****+****-] 1
1216 4 16 ILE MD 4 16 ILE QG . . 1.800 1.886 1.865 1.904 0.104 3 0 "[ . 1]" 1
1217 4 16 ILE MD 4 16 ILE MG . . 1.800 2.030 1.968 2.124 0.324 5 0 "[ . 1]" 1
1218 4 16 ILE MD 4 17 LYS H . . 1.800 4.750 4.661 4.865 3.065 9 10 [*******-+*] 1
1219 4 16 ILE MD 4 21 PHE H . . 1.800 4.827 4.692 4.954 3.154 7 10 [-*****+***] 1
1220 4 16 ILE MD 4 21 PHE HA . . 1.800 5.751 5.561 5.835 4.035 10 10 [********-+] 1
1221 4 16 ILE MD 4 21 PHE QB . . 1.800 3.196 2.980 3.352 1.552 5 10 [****+***-*] 1
1222 4 16 ILE MD 4 21 PHE QD . . 1.800 3.767 2.827 4.059 2.259 6 10 [*****+**-*] 1
1223 4 16 ILE MD 4 21 PHE QE . . 1.800 4.093 3.427 4.327 2.527 6 10 [*****+**-*] 1
1224 4 16 ILE MD 4 21 PHE HZ . . 1.800 4.936 4.640 5.087 3.287 2 10 [*+******-*] 1
1225 4 16 ILE QG 4 17 LYS H . . 1.800 4.144 3.925 4.197 2.397 7 10 [******+*-*] 1
1226 4 16 ILE QG 4 21 PHE H . . 1.800 4.049 3.525 5.753 3.953 9 10 [****-***+*] 1
1227 4 16 ILE QG 4 21 PHE QD . . 1.800 2.753 2.510 3.701 1.901 9 10 [***-****+*] 1
1228 4 16 ILE QG 4 21 PHE QE . . 1.800 2.871 2.575 3.236 1.436 9 10 [********+-] 1
1229 4 16 ILE QG 4 21 PHE HZ . . 1.800 3.890 3.505 4.983 3.183 9 10 [****-***+*] 1
1230 4 16 ILE MG 4 17 LYS H . . 1.800 3.070 2.961 3.174 1.374 5 10 [****+-****] 1
1231 4 16 ILE MG 4 17 LYS HA . . 1.800 3.318 3.123 3.472 1.672 8 10 [*******+-*] 1
1232 4 16 ILE MG 4 17 LYS QB . . 1.800 3.840 3.669 4.131 2.331 9 10 [*****-**+*] 1
1233 4 16 ILE MG 4 17 LYS QD . . 1.800 4.934 4.669 5.087 3.287 10 10 [********-+] 1
1234 4 16 ILE MG 4 20 GLY H . . 1.800 3.716 3.345 4.175 2.375 9 10 [-*******+*] 1
1235 4 16 ILE MG 4 21 PHE H . . 1.800 2.937 2.585 3.667 1.867 9 10 [****-***+*] 1
1236 4 16 ILE MG 4 21 PHE HA . . 1.800 4.776 4.509 4.914 3.114 9 10 [**-*****+*] 1
1237 4 16 ILE MG 4 21 PHE QB . . 1.800 2.460 2.204 2.747 0.947 1 8 "[+- ** ****]" 1
1238 4 16 ILE MG 4 21 PHE QD . . 1.800 2.742 2.313 3.198 1.398 5 10 [****+***-*] 1
1239 4 16 ILE MG 4 21 PHE QE . . 1.800 4.115 3.946 4.283 2.483 5 10 [****+***-*] 1
1240 4 16 ILE MG 4 21 PHE HZ . . 1.800 5.702 5.614 5.783 3.983 2 10 [*+**-*****] 1
1241 4 17 LYS H 4 17 LYS QD . . 1.800 4.388 3.698 4.578 2.778 3 10 [**+*****-*] 1
1242 4 17 LYS H 4 17 LYS QE . . 1.800 4.641 4.162 5.434 3.634 8 10 [*******+-*] 1
1243 4 17 LYS H 4 17 LYS QG . . 1.800 3.673 1.947 3.894 2.094 3 9 "[**+****- *]" 1
1244 4 17 LYS H 4 18 ALA H . . 1.800 2.768 2.486 2.836 1.036 4 10 [***+****-*] 1
1245 4 17 LYS HA 4 17 LYS QE . . 1.800 3.450 3.056 4.370 2.570 9 10 [**-*****+*] 1
1246 4 17 LYS HA 4 20 GLY H . . 1.800 4.153 3.836 4.444 2.644 1 10 [+*******-*] 1
1247 4 17 LYS QB 4 17 LYS QD . . 1.800 2.590 2.118 2.802 1.002 3 9 "[-*+***** *]" 1
1248 4 17 LYS QB 4 17 LYS QE . . 1.800 2.572 2.072 3.565 1.765 8 4 "[* . +*-]" 1
1249 4 17 LYS QB 4 17 LYS QG . . 1.800 1.992 1.976 2.071 0.271 9 0 "[ . 1]" 1
1250 4 17 LYS QB 4 17 LYS QZ . . 1.800 3.646 3.013 4.205 2.405 8 10 [*-*****+**] 1
1251 4 17 LYS QB 4 18 ALA H . . 1.800 2.929 2.386 3.081 1.281 8 10 [*******+-*] 1
1252 4 17 LYS QD 4 17 LYS QE . . 1.800 2.031 1.866 2.086 0.286 5 0 "[ . 1]" 1
1253 4 17 LYS QD 4 17 LYS QZ . . 1.800 2.106 2.073 2.213 0.413 2 0 "[ . 1]" 1
1254 4 17 LYS QD 4 18 ALA H . . 1.800 4.721 4.610 4.859 3.059 4 10 [***+-*****] 1
1255 4 17 LYS QE 4 17 LYS QG . . 1.800 2.238 1.988 2.677 0.877 2 2 "[ + . -]" 1
1256 4 17 LYS QE 4 17 LYS QZ . . 1.800 1.772 1.666 1.840 0.040 2 0 "[ . 1]" 1
1257 4 17 LYS QG 4 17 LYS QZ . . 1.800 3.062 1.975 3.416 1.616 7 8 "[* ****+*-1]" 1
1258 4 17 LYS QG 4 18 ALA H . . 1.800 3.671 3.569 3.821 2.021 9 10 [****-***+*] 1
1259 4 18 ALA H 4 18 ALA MB . . 1.800 2.259 2.209 2.347 0.547 4 1 "[ +. 1]" 1
1260 4 18 ALA H 4 19 GLY H . . 1.800 2.449 2.337 2.575 0.775 9 10 [*******-+*] 1
1261 4 18 ALA H 4 19 GLY QA . . 1.800 4.292 4.168 4.377 2.577 3 10 [**+****-**] 1
1262 4 18 ALA HA 4 19 GLY H . . 1.800 3.563 3.520 3.595 1.795 5 10 [****+-****] 1
1263 4 18 ALA MB 4 19 GLY H . . 1.800 2.636 2.573 2.713 0.913 1 10 [+****-****] 1
1264 4 18 ALA MB 4 21 PHE QE . . 1.800 4.867 4.572 5.272 3.472 9 10 [****-***+*] 1
1265 4 19 GLY H 4 20 GLY H . . 1.800 2.785 2.603 2.909 1.109 2 10 [*+******-*] 1
1266 4 19 GLY H 4 20 GLY QA . . 1.800 4.586 4.397 4.687 2.887 2 10 [*+******-*] 1
1267 4 19 GLY H 4 21 PHE QD . . 1.800 3.765 3.604 4.095 2.295 9 10 [**-*****+*] 1
1268 4 19 GLY H 4 21 PHE QE . . 1.800 3.297 3.081 3.687 1.887 9 10 [****-***+*] 1
1269 4 19 GLY H 4 21 PHE HZ . . 1.800 5.465 5.375 5.558 3.758 2 10 [*+*****-**] 1
1270 4 19 GLY QA 4 20 GLY H . . 1.800 2.746 2.567 2.875 1.075 8 10 [-******+**] 1
1271 4 19 GLY QA 4 21 PHE QD . . 1.800 2.990 2.638 3.505 1.705 9 10 [****-***+*] 1
1272 4 19 GLY QA 4 21 PHE QE . . 1.800 2.760 2.377 2.958 1.158 10 10 [****-****+] 1
1273 4 19 GLY QA 4 21 PHE HZ . . 1.800 4.291 3.861 4.505 2.705 1 10 [+*******-*] 1
1274 4 20 GLY H 4 21 PHE HA . . 1.800 4.919 4.532 5.049 3.249 3 10 [-*+*******] 1
1275 4 20 GLY H 4 21 PHE QB . . 1.800 4.506 4.343 4.607 2.807 9 10 [-*******+*] 1
1276 4 20 GLY QA 4 21 PHE H . . 1.800 2.702 2.512 2.913 1.113 3 10 [-*+*******] 1
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