NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
589254 |
2mn6   |
19714 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mn6
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 97
_Distance_constraint_stats_list.Viol_count 948
_Distance_constraint_stats_list.Viol_total 52576.051
_Distance_constraint_stats_list.Viol_max 9.770
_Distance_constraint_stats_list.Viol_rms 2.3323
_Distance_constraint_stats_list.Viol_average_all_restraints 5.4202
_Distance_constraint_stats_list.Viol_average_violations_only 5.5460
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 306.466 8.643 1 10 [+*****-***]
1 13 LEU 565.592 9.136 1 10 [+*****-***]
1 14 ILE 327.122 9.125 10 10 [******-**+]
1 16 ALA 160.502 5.039 2 10 [*+*******-]
1 17 VAL 837.165 8.049 2 10 [*+****-***]
1 18 ILE 53.946 3.004 4 10 [*-*+******]
1 20 VAL 452.049 7.609 2 10 [*+****-***]
1 21 LEU 511.634 7.728 4 10 [***+***-**]
1 22 LEU 0.000 0.000 . 0 "[ . 1]"
1 25 THR 214.588 8.385 8 10 [*****-*+**]
1 28 LEU 343.864 8.539 7 10 [******+**-]
1 30 SER 61.549 6.636 4 10 [**-+******]
1 31 ILE 14.657 1.793 9 10 [****-***+*]
1 33 SER 390.712 9.650 8 10 [*****-*+**]
1 35 LEU 26.120 1.761 1 10 [+**-******]
1 36 GLY 156.363 6.239 6 10 [***-*+****]
1 37 ALA 171.492 6.271 6 10 [*****+-***]
1 39 ILE 190.416 6.708 10 10 [*-*******+]
1 40 LYS 216.537 9.770 9 10 [**-*****+*]
1 43 LYS 180.046 5.528 2 10 [*+**-*****]
1 45 ALA 33.350 3.476 2 10 [*+******-*]
1 46 MET 62.652 3.651 2 10 [*+*****-**]
2 9 ILE 31.403 3.465 2 10 [*+****-***]
2 12 LEU 546.269 8.774 1 10 [+*****-***]
2 15 ILE 1095.044 9.136 1 10 [+***-*****]
2 16 ALA 154.289 5.350 1 10 [+********-]
2 18 ILE 55.883 5.686 5 10 [****+***-*]
2 19 VAL 524.564 8.049 2 10 [*+**-*****]
2 22 LEU 517.637 7.414 4 10 [*-*+******]
2 23 PHE 459.313 8.385 8 10 [*******+*-]
2 24 GLY 71.386 7.684 9 10 [**-*****+*]
2 26 LYS 64.330 7.608 8 10 [*****-*+**]
2 27 LYS 48.197 5.222 9 10 [********+-]
2 28 LEU 14.095 2.043 9 10 [********+-]
2 31 ILE 355.021 9.416 8 10 [****-**+**]
2 34 ASP 47.550 4.911 10 10 [********-+]
2 35 LEU 565.008 9.650 8 10 [***-***+**]
2 37 ALA 60.534 4.478 4 10 [***+**-***]
2 38 SER 100.773 5.932 9 10 [******-*+*]
2 39 ILE 38.013 2.761 7 10 [****-*+***]
2 42 PHE 324.490 9.770 9 10 [*******-+*]
2 45 ALA 161.571 5.528 2 10 [*+**-*****]
2 46 MET 41.451 4.697 8 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 9 ILE MG 2 9 ILE MD 5.000 . 5.000 8.140 7.782 8.465 3.465 2 10 [*+****-***] 1
2 1 9 ILE MG 2 12 LEU HG 6.000 . 6.000 12.555 12.064 13.113 7.113 4 10 [***+**-***] 1
3 1 9 ILE HA 2 12 LEU QD 5.000 . 5.000 10.564 10.289 10.929 5.929 1 10 [+*****-***] 1
4 1 9 ILE HB 2 12 LEU QD 4.500 . 4.500 12.706 12.436 13.143 8.643 1 10 [+******-**] 1
5 1 13 LEU HA 2 12 LEU QD 5.000 . 5.000 11.463 11.105 11.754 6.754 1 10 [+*****-***] 1
6 1 13 LEU HG 2 12 LEU QD . . 4.500 12.760 12.197 13.036 8.536 1 10 [+*****-***] 1
7 1 13 LEU QD 2 12 LEU HG 4.500 . 4.500 13.024 12.389 13.274 8.774 1 10 [+*****-***] 1
8 1 17 VAL QG 2 12 LEU QD 5.000 . 5.000 10.721 10.473 10.869 5.869 8 10 [*****-*+**] 1
9 1 13 LEU QD 2 15 ILE QG 5.000 . 5.000 12.305 12.109 12.488 7.488 1 10 [+****-****] 1
10 1 13 LEU QD 2 15 ILE HB 5.000 . 5.000 13.387 13.192 13.534 8.534 1 10 [+*****-***] 1
11 1 13 LEU QD 2 12 LEU QB 5.000 . 5.000 10.333 9.889 10.534 5.534 1 10 [+*****-***] 1
12 1 9 ILE MG 2 15 ILE MD 6.000 . 6.000 13.181 12.828 13.611 7.611 4 10 [***+*-****] 1
13 1 13 LEU QB 2 15 ILE MD 5.000 . 5.000 13.910 13.784 14.136 9.136 1 10 [+******-**] 1
14 1 14 ILE HB 2 15 ILE MD 5.000 . 5.000 13.356 12.935 13.859 8.859 1 10 [+**-******] 1
15 1 14 ILE QG 2 15 ILE MD 5.000 . 5.000 13.701 13.336 14.097 9.097 1 10 [+**-******] 1
16 1 14 ILE MG 2 15 ILE MD 4.500 . 4.500 11.480 11.106 11.859 7.359 3 10 [**+***-***] 1
17 1 14 ILE HB 2 15 ILE MG 5.000 . 5.000 13.675 13.259 14.125 9.125 10 10 [***-*****+] 1
18 1 17 VAL QG 2 15 ILE MD 4.500 . 4.500 12.362 12.248 12.524 8.024 1 10 [+****-****] 1
19 1 17 VAL QG 2 15 ILE MG 5.000 . 5.000 11.876 11.804 11.947 6.947 1 10 [+*******-*] 1
20 1 16 ALA MB 2 15 ILE MG 5.000 . 5.000 9.953 9.909 10.039 5.039 2 10 [*+*******-] 1
21 1 13 LEU HA 2 16 ALA MB 6.000 . 6.000 9.377 9.202 9.537 3.537 2 10 [*+****-***] 1
22 1 16 ALA MB 2 16 ALA HA 5.500 . 5.500 8.677 8.594 8.809 3.309 2 10 [*+*******-] 1
23 1 17 VAL QG 2 16 ALA MB . . 5.000 8.600 8.553 8.637 3.637 4 10 [***+**-***] 1
24 1 16 ALA MB 2 19 VAL QG 5.000 . 5.000 8.481 8.309 8.811 3.811 2 10 [*+**-*****] 1
25 1 17 VAL QG 2 15 ILE QG 4.500 . 4.500 12.032 11.877 12.181 7.681 1 10 [+******-**] 1
26 1 17 VAL QG 2 15 ILE HA 5.000 . 5.000 12.519 12.373 12.647 7.647 1 10 [+*******-*] 1
27 1 17 VAL QG 2 18 ILE MG 5.000 . 5.000 10.588 10.420 10.686 5.686 5 10 [****+***-*] 1
28 1 17 VAL QG 2 19 VAL QG 4.500 . 4.500 10.139 10.000 10.282 5.782 2 10 [*+**-*****] 1
29 1 17 VAL QG 2 19 VAL HB . . 5.000 12.562 12.469 12.755 7.755 5 10 [****+-****] 1
30 1 18 ILE MG 2 19 VAL QG 6.000 . 6.000 8.931 8.827 9.004 3.004 4 10 [***+-*****] 1
31 1 18 ILE MG 2 22 LEU QD 6.000 . 6.000 8.464 8.272 8.570 2.570 4 10 [*-*+******] 1
32 1 17 VAL HB 2 19 VAL QG 5.000 . 5.000 12.894 12.740 13.049 8.049 2 10 [*+**-*****] 1
33 1 20 VAL QG 2 19 VAL QG . . 4.500 8.722 8.601 8.814 4.314 4 10 [***+*****-] 1
34 1 20 VAL HA 2 19 VAL QG 6.000 . 6.000 10.197 10.046 10.340 4.340 4 10 [***+**-***] 1
35 1 20 VAL QG 2 19 VAL HB 6.000 . 6.000 11.056 10.845 11.350 5.350 5 10 [****+-****] 1
36 1 20 VAL QG 2 22 LEU QD 5.000 . 5.000 9.968 9.897 10.032 5.032 6 10 [*****+-***] 1
37 1 20 VAL QG 2 23 PHE QD 5.000 . 5.000 11.512 11.301 11.713 6.713 2 10 [*+**-*****] 1
38 1 21 LEU QD 2 19 VAL QG . . 5.000 9.655 9.568 9.766 4.766 4 10 [***+***-**] 1
39 1 21 LEU QD 2 22 LEU HA 5.000 . 5.000 12.016 11.820 12.256 7.256 4 10 [***+***-**] 1
40 1 21 LEU QD 2 22 LEU QD 5.000 . 5.000 9.281 9.081 9.444 4.444 4 10 [***+***-**] 1
41 1 21 LEU QD 2 23 PHE QD 5.000 . 5.000 12.501 12.348 12.717 7.717 4 10 [***+***-**] 1
42 1 21 LEU HA 2 22 LEU QD 5.000 . 5.000 12.333 12.216 12.414 7.414 4 10 [**-+******] 1
43 1 20 VAL HA 2 22 LEU QD 6.000 . 6.000 11.716 11.600 11.833 5.833 6 10 [**-**+****] 1
44 1 22 LEU MD2 2 22 LEU QD 6.000 . 6.000 5.403 5.325 5.478 . 0 0 "[ . 1]" 1
45 1 28 LEU QD 2 27 LYS QD 6.000 . 6.000 10.820 10.446 11.222 5.222 9 10 [********+-] 1
46 1 28 LEU QD 2 28 LEU QD 6.000 . 6.000 4.457 4.050 4.896 . 0 0 "[ . 1]" 1
47 1 28 LEU QD 2 28 LEU HG 6.000 . 6.000 7.409 6.905 8.043 2.043 9 10 [********+-] 1
48 1 28 LEU QD 2 31 ILE MG 5.000 . 5.000 9.671 8.931 10.600 5.600 9 10 [**-*****+*] 1
49 1 28 LEU HA 2 31 ILE HB 6.000 . 6.000 13.390 12.298 14.539 8.539 7 10 [****-*+***] 1
50 1 28 LEU QD 2 31 ILE HB 5.000 . 5.000 11.991 11.050 12.931 7.931 7 10 [****-*+***] 1
51 1 31 ILE QG 2 31 ILE MD 6.000 . 6.000 7.466 7.228 7.793 1.793 9 10 [****-***+*] 1
52 1 33 SER HA 2 35 LEU QD 5.000 . 5.000 11.871 11.739 11.953 6.953 10 10 [***-*****+] 1
53 1 33 SER HA 2 35 LEU HG 6.000 . 6.000 15.330 14.868 15.650 9.650 8 10 [*****-*+**] 1
54 1 35 LEU HG 2 35 LEU QD 6.000 . 6.000 6.139 5.927 6.345 0.345 1 0 "[ . 1]" 1
55 1 35 LEU HA 2 35 LEU QD 6.000 . 6.000 7.606 7.388 7.761 1.761 1 10 [+**-******] 1
56 1 35 LEU QB 2 35 LEU QD 6.000 . 6.000 6.860 6.682 7.034 1.034 6 10 [***-*+****] 1
57 1 37 ALA HA 2 35 LEU QD 6.000 . 6.000 12.089 11.954 12.271 6.271 6 10 [****-+****] 1
58 1 39 ILE MG 2 38 SER QB 5.000 . 5.000 10.694 10.267 10.932 5.932 9 10 [****-***+*] 1
59 1 39 ILE MG 2 39 ILE HB 6.000 . 6.000 8.535 8.260 8.761 2.761 7 10 [****-*+***] 1
60 1 39 ILE MG 2 39 ILE QG 6.000 . 6.000 7.267 6.994 7.451 1.451 9 10 [****-***+*] 1
61 1 39 ILE MD 2 42 PHE QD 6.000 . 6.000 7.649 6.369 9.837 3.837 5 9 "[*-**+** **]" 1
62 1 43 LYS HA 2 45 ALA MB 5.000 . 5.000 10.151 9.645 10.528 5.528 2 10 [*+**-*****] 1
63 1 45 ALA HA 2 45 ALA MB 4.500 . 4.500 7.835 7.730 7.976 3.476 2 10 [*+******-*] 1
64 1 46 MET HA 2 45 ALA MB 6.000 . 6.000 9.328 8.897 9.651 3.651 2 10 [*+**-*****] 1
65 1 46 MET ME 2 42 PHE QD 6.000 . 6.000 7.821 6.607 9.225 3.225 6 10 [*****+*-**] 1
66 1 46 MET ME 2 42 PHE QE 6.000 . 6.000 7.108 5.920 8.605 2.605 6 7 "[- ***+* *]" 1
67 1 43 LYS QG 2 46 MET ME 5.000 . 5.000 9.145 8.673 9.697 4.697 8 10 [****-**+**] 1
68 1 16 ALA MB 2 15 ILE HB 6.000 . 6.000 10.439 10.399 10.505 4.505 2 10 [*+**-*****] 1
69 1 17 VAL QG 2 15 ILE H 6.000 . 6.000 11.828 11.711 11.970 5.970 1 10 [+******-**] 1
70 1 17 VAL QG 2 19 VAL H 5.000 . 5.000 11.820 11.727 11.922 6.922 7 10 [******+*-*] 1
71 1 17 VAL QG 2 16 ALA H 6.000 . 6.000 11.275 11.207 11.350 5.350 1 10 [+*******-*] 1
72 1 20 VAL QG 2 23 PHE QE 5.000 . 5.000 12.390 12.160 12.609 7.609 2 10 [*+**-*****] 1
73 1 21 LEU QD 2 23 PHE QE 5.000 . 5.000 12.535 12.369 12.728 7.728 4 10 [***+***-**] 1
74 1 20 VAL HB 2 22 LEU QD 6.000 . 6.000 13.144 13.048 13.236 7.236 4 10 [**-+******] 1
75 1 21 LEU QB 2 22 LEU QD 5.000 . 5.000 11.451 11.324 11.564 6.564 4 10 [**-+******] 1
76 1 21 LEU HG 2 22 LEU QD 5.000 . 5.000 11.391 11.261 11.548 6.548 4 10 [***+****-*] 1
77 1 25 THR MG 2 24 GLY H 5.500 . 5.500 12.639 12.393 13.184 7.684 9 10 [**-*****+*] 1
78 1 25 THR MG 2 23 PHE QD 5.000 . 5.000 12.887 12.412 13.385 8.385 8 10 [*******+*-] 1
79 1 25 THR MG 2 26 LYS HA 5.000 . 5.000 11.433 10.723 12.608 7.608 8 10 [*****-*+**] 1
80 1 28 LEU QD 2 23 PHE QE 5.000 . 5.000 10.062 9.375 10.900 5.900 9 10 [********+-] 1
81 1 28 LEU QD 2 23 PHE QD 5.000 . 5.000 9.044 8.267 9.962 4.962 9 10 [********+-] 1
82 1 30 SER HA 2 31 ILE HA 6.000 . 6.000 12.155 11.725 12.636 6.636 4 10 [**-+******] 1
83 1 33 SER H 2 31 ILE HB 5.000 . 5.000 13.830 13.391 14.416 9.416 8 10 [****-**+**] 1
84 1 33 SER HA 2 35 LEU H 5.000 . 5.000 12.852 12.663 13.012 8.012 5 10 [*-**+*****] 1
85 1 33 SER QB 2 35 LEU H 5.000 . 5.000 11.188 11.068 11.421 6.421 5 10 [****+-****] 1
86 1 36 GLY QA 2 35 LEU QB 5.000 . 5.000 9.774 9.524 9.924 4.924 1 10 [+**-******] 1
87 1 36 GLY H 2 35 LEU QD 5.000 . 5.000 9.772 9.555 9.900 4.900 1 10 [+**-******] 1
88 1 36 GLY QA 2 35 LEU H 5.000 . 5.000 11.091 10.948 11.239 6.239 6 10 [***-*+****] 1
89 1 37 ALA MB 2 38 SER HA 5.000 . 5.000 9.383 9.222 9.577 4.577 10 10 [******-**+] 1
90 1 37 ALA MB 2 34 ASP QB 5.000 . 5.000 9.755 9.635 9.911 4.911 10 10 [********-+] 1
91 1 40 LYS QD 2 37 ALA MB 5.000 . 5.000 9.132 8.843 9.478 4.478 4 10 [**-+******] 1
92 1 37 ALA MB 2 35 LEU QD 6.000 . 6.000 7.922 7.771 8.107 2.107 4 10 [***+**-***] 1
93 1 39 ILE MG 2 42 PHE QB 5.000 . 5.000 10.976 10.164 11.708 6.708 10 10 [*-*******+] 1
94 1 40 LYS HA 2 42 PHE HA 5.000 . 5.000 14.537 14.331 14.770 9.770 9 10 [****-***+*] 1
95 1 40 LYS HA 2 42 PHE QB 5.000 . 5.000 12.985 12.278 13.674 8.674 5 10 [****+**-**] 1
96 1 43 LYS H 2 42 PHE QD 5.000 . 5.000 9.366 8.650 9.943 4.943 3 10 [**+****-**] 1
97 1 43 LYS H 2 45 ALA MB 6.000 . 6.000 10.343 9.646 10.525 4.525 2 10 [*+**-*****] 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 290.452
_Distance_constraint_stats_list.Viol_max 3.034
_Distance_constraint_stats_list.Viol_rms 0.0921
_Distance_constraint_stats_list.Viol_average_all_restraints 2.9045
_Distance_constraint_stats_list.Viol_average_violations_only 2.9045
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 37 ALA 29.045 3.034 1 10 [+*****-***]
2 35 LEU 29.045 3.034 1 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 37 ALA MB 2 35 LEU QD 6.000 . 6.500 9.405 9.255 9.534 3.034 1 10 [+*****-***] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 2498
_Distance_constraint_stats_list.Viol_count 4400
_Distance_constraint_stats_list.Viol_total 17750.654
_Distance_constraint_stats_list.Viol_max 4.475
_Distance_constraint_stats_list.Viol_rms 0.2354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0711
_Distance_constraint_stats_list.Viol_average_violations_only 0.4034
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 SER 73.135 3.898 6 9 "[ **-*+****]"
1 9 ILE 49.640 1.391 2 10 [*+*-******]
1 10 TRP 83.726 2.179 6 10 [***-*+****]
1 11 GLN 64.674 3.898 6 10 [***-*+****]
1 12 LEU 70.301 1.682 7 10 [-*****+***]
1 13 LEU 82.233 1.976 7 10 [***-**+***]
1 14 ILE 35.311 1.026 6 10 [*****+-***]
1 15 ILE 107.029 1.682 7 10 [******+***]
1 16 ALA 46.290 1.143 9 10 [******-*+*]
1 17 VAL 25.655 0.924 9 10 [*****-**+*]
1 18 ILE 30.243 1.026 6 6 "[ -**+ **1]"
1 19 VAL 30.440 1.379 1 10 [+********-]
1 20 VAL 54.420 1.401 1 10 [+*****-***]
1 21 LEU 71.495 2.454 4 10 [***+*-****]
1 22 LEU 36.416 2.170 4 10 [**-+******]
1 23 PHE 62.032 4.475 10 10 [*********+]
1 24 GLY 20.452 1.401 1 9 [+***.-****]
1 25 THR 92.487 2.454 4 10 [-**+******]
1 26 LYS 17.782 2.324 2 6 "[ +-*** *]"
1 27 LYS 50.024 4.475 10 10 [*-*******+]
1 28 LEU 41.212 1.326 4 10 [*-*+******]
1 29 GLY 18.296 0.631 7 4 "[*** . + 1]"
1 30 SER 32.881 2.324 2 10 [*+-*******]
1 31 ILE 69.837 1.460 4 10 [*-*+******]
1 32 GLY 21.617 0.806 8 9 [*****-*+*1]
1 33 SER 20.716 0.790 8 8 "[*-* .**+**]"
1 34 ASP 12.825 0.802 8 10 [*******+-*]
1 35 LEU 24.368 0.909 5 8 "[*** +* ***]"
1 36 GLY 8.222 0.852 3 5 "[ + -** *]"
1 37 ALA 23.309 1.267 10 10 [*******-*+]
1 38 SER 27.830 1.634 5 10 [***-+*****]
1 39 ILE 114.632 2.282 2 10 [*+****-***]
1 40 LYS 45.548 1.267 10 10 [******-**+]
1 41 GLY 10.247 0.997 10 6 "[* ** -*+]"
1 42 PHE 82.265 1.905 5 10 [*-**+*****]
1 43 LYS 82.174 2.282 2 10 [*+********]
1 44 LYS 25.260 1.173 4 10 [***+****-*]
1 45 ALA 36.752 1.190 8 10 [*******+-*]
1 46 MET 16.414 1.822 8 8 "[*** ** +*-]"
1 47 SER 9.616 1.019 7 8 "[****. +-**]"
1 48 ASP 0.650 0.487 9 0 "[ . 1]"
2 8 SER 47.121 3.803 4 8 "[***+.* *-*]"
2 9 ILE 40.373 1.441 3 10 [**+*****-*]
2 10 TRP 81.343 3.803 4 10 [*-*+******]
2 11 GLN 37.965 2.631 4 8 "[***+.*** *]"
2 12 LEU 35.143 1.080 7 10 [***-**+***]
2 13 LEU 67.719 1.904 7 10 [*-****+***]
2 14 ILE 32.988 0.961 6 10 [***-*+****]
2 15 ILE 64.088 1.080 7 10 [******+**-]
2 16 ALA 33.700 0.708 9 10 [********+-]
2 17 VAL 52.621 1.254 8 10 [***-***+**]
2 18 ILE 24.211 0.961 6 6 "[ ***+ -*1]"
2 19 VAL 45.085 1.440 9 10 [*******-+*]
2 20 VAL 59.496 1.573 6 10 [***-*+****]
2 21 LEU 56.294 1.598 9 10 [****-***+*]
2 22 LEU 9.818 1.538 9 5 "[ - ** +*]"
2 23 PHE 28.581 1.338 8 10 [-******+**]
2 24 GLY 25.455 1.573 6 10 [***-*+****]
2 25 THR 56.649 1.692 6 10 [****-+****]
2 26 LYS 17.510 1.850 6 6 "[ * -.+ ***]"
2 27 LYS 17.842 0.963 6 8 "[ ****+* *-]"
2 28 LEU 47.531 1.092 1 8 [+-**.****1]
2 29 GLY 32.017 1.692 6 9 "[*-***+* **]"
2 30 SER 30.084 1.850 6 7 "[** -.+ ***]"
2 31 ILE 65.505 1.092 1 10 [+********-]
2 32 GLY 19.432 0.976 8 7 "[***-. *+*1]"
2 33 SER 18.947 0.821 5 9 "[**- +*****]"
2 34 ASP 23.389 0.972 8 10 [*******+**]
2 35 LEU 24.118 0.976 8 7 "[** ** +*-]"
2 36 GLY 5.398 0.522 10 2 "[ - . +]"
2 37 ALA 30.461 1.004 10 10 [*****-***+]
2 38 SER 28.091 1.593 5 10 [**-*+*****]
2 39 ILE 129.578 2.681 2 10 [*+****-***]
2 40 LYS 42.896 1.033 2 10 [*+****-***]
2 41 GLY 9.358 0.802 5 7 "[* *+- ***]"
2 42 PHE 100.032 2.106 5 10 [****+***-*]
2 43 LYS 89.213 2.681 2 10 [*+*******-]
2 44 LYS 42.884 2.027 4 10 [***+****-*]
2 45 ALA 38.800 1.327 8 10 [*******+-*]
2 46 MET 9.009 1.427 1 5 "[+* .* *-1]"
2 47 SER 38.855 2.027 4 10 [***+****-*]
2 48 ASP 2.668 0.503 9 1 "[ . +1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE H 1 9 ILE HB 3.500 . 3.500 2.610 2.508 2.723 . 0 0 "[ . 1]" 3
2 1 9 ILE H 1 9 ILE QG 4.500 . 4.500 1.965 1.760 2.326 0.040 4 0 "[ . 1]" 3
3 1 9 ILE H 1 9 ILE MG 3.500 . 3.500 3.763 3.740 3.793 0.293 6 0 "[ . 1]" 3
4 1 10 TRP H 1 10 TRP QB 2.800 . 2.800 2.065 2.019 2.146 . 0 0 "[ . 1]" 3
5 1 13 LEU H 1 13 LEU HA 2.800 . 2.800 2.815 2.795 2.853 0.053 7 0 "[ . 1]" 3
6 1 12 LEU QB 1 13 LEU H 3.500 . 3.500 2.655 2.610 2.714 . 0 0 "[ . 1]" 3
7 1 13 LEU H 1 14 ILE H 3.500 . 3.500 2.657 2.509 2.715 . 0 0 "[ . 1]" 3
8 1 13 LEU HA 1 14 ILE H . . 5.500 3.530 3.516 3.545 . 0 0 "[ . 1]" 3
9 1 14 ILE H 1 14 ILE HA . . 2.800 2.771 2.749 2.782 . 0 0 "[ . 1]" 3
10 1 13 LEU QB 1 14 ILE H 3.500 . 3.500 2.661 2.544 2.742 . 0 0 "[ . 1]" 3
11 1 14 ILE H 1 14 ILE QG 3.500 . 3.500 2.681 1.921 3.605 0.105 7 0 "[ . 1]" 3
12 1 14 ILE H 1 15 ILE H 3.500 . 3.500 2.973 2.904 3.024 . 0 0 "[ . 1]" 3
13 1 16 ALA H 1 17 VAL H 3.500 . 3.500 2.653 2.625 2.690 . 0 0 "[ . 1]" 3
14 1 14 ILE HA 1 17 VAL H 3.500 . 4.000 3.813 3.648 3.932 . 0 0 "[ . 1]" 3
15 1 17 VAL H 1 17 VAL HB 2.800 . 2.800 2.294 2.237 2.367 . 0 0 "[ . 1]" 3
16 1 17 VAL H 1 17 VAL QG 2.800 . 3.300 2.546 2.455 2.624 . 0 0 "[ . 1]" 3
17 1 16 ALA MB 1 17 VAL H 2.800 . 2.800 2.610 2.567 2.643 . 0 0 "[ . 1]" 3
18 1 17 VAL QG 1 18 ILE H 3.500 . 3.500 2.888 2.843 2.991 . 0 0 "[ . 1]" 3
19 1 19 VAL H 1 20 VAL H 2.800 . 2.800 2.685 2.626 2.761 . 0 0 "[ . 1]" 3
20 1 18 ILE H 1 19 VAL H 3.500 . 3.500 2.593 2.509 2.623 . 0 0 "[ . 1]" 3
21 1 19 VAL H 1 19 VAL HA 2.800 . 2.800 2.803 2.780 2.816 0.016 5 0 "[ . 1]" 3
22 1 19 VAL H 1 19 VAL HB 3.500 . 3.500 2.113 2.082 2.162 . 0 0 "[ . 1]" 3
23 1 19 VAL H 1 19 VAL QG 2.800 . 3.300 2.746 2.625 2.880 . 0 0 "[ . 1]" 3
24 1 20 VAL H 1 20 VAL HB 3.500 . 3.500 2.695 2.618 2.749 . 0 0 "[ . 1]" 3
25 1 20 VAL H 1 20 VAL QG 3.500 . 3.500 1.884 1.845 1.939 . 0 0 "[ . 1]" 3
26 1 36 GLY H 1 37 ALA MB 4.500 . 4.500 4.222 4.164 4.272 . 0 0 "[ . 1]" 3
27 1 35 LEU QD 1 36 GLY H 4.500 . 4.500 4.328 4.264 4.393 . 0 0 "[ . 1]" 3
28 1 31 ILE H 1 31 ILE QG 3.500 . 3.500 2.931 2.302 4.002 0.502 1 1 "[+ . 1]" 3
29 1 31 ILE H 1 31 ILE MD . . 4.500 4.058 3.761 4.436 . 0 0 "[ . 1]" 3
30 1 31 ILE H 1 31 ILE MG . . 3.500 1.869 1.696 1.995 0.104 7 0 "[ . 1]" 3
31 1 38 SER H 1 38 SER QB . . 2.800 2.464 2.401 2.551 . 0 0 "[ . 1]" 3
32 1 37 ALA H 1 37 ALA MB 2.800 . 2.800 2.227 2.220 2.235 . 0 0 "[ . 1]" 3
33 1 43 LYS H 1 43 LYS HA 2.800 . 2.800 2.859 2.810 2.904 0.104 8 0 "[ . 1]" 3
34 1 43 LYS H 1 43 LYS QB 2.800 . 2.800 2.227 2.062 2.333 . 0 0 "[ . 1]" 3
35 1 43 LYS H 1 43 LYS QG 3.500 . 3.500 3.907 2.578 4.110 0.610 8 8 "[** **- +**]" 3
36 1 39 ILE QG 1 40 LYS H . . 4.500 4.333 4.056 4.523 0.023 9 0 "[ . 1]" 3
37 1 43 LYS QD 1 44 LYS H 5.500 . 5.500 4.018 3.698 4.267 . 0 0 "[ . 1]" 3
38 1 46 MET H 1 46 MET QB 3.500 . 3.500 2.713 2.506 3.173 . 0 0 "[ . 1]" 3
39 1 46 MET H 1 46 MET QG 3.500 . 3.500 2.910 1.919 3.616 0.116 9 0 "[ . 1]" 3
40 1 47 SER HA 1 48 ASP H 3.500 . 3.500 2.305 2.113 2.846 . 0 0 "[ . 1]" 3
41 1 48 ASP H 1 48 ASP QB 3.500 . 3.500 2.730 2.366 3.358 . 0 0 "[ . 1]" 3
42 1 42 PHE H 1 42 PHE QD 4.500 . 4.500 3.232 2.631 3.875 . 0 0 "[ . 1]" 3
43 1 42 PHE H 1 42 PHE HA 2.800 . 2.800 2.844 2.805 2.901 0.101 5 0 "[ . 1]" 3
44 1 42 PHE H 1 42 PHE QB 2.800 . 2.800 2.156 2.034 2.635 . 0 0 "[ . 1]" 3
45 1 20 VAL HB 1 21 LEU H 3.500 . 4.000 2.428 2.304 2.614 . 0 0 "[ . 1]" 3
46 1 21 LEU H 1 21 LEU QB . . 2.800 2.697 2.660 2.767 . 0 0 "[ . 1]" 3
47 1 15 ILE H 1 16 ALA H 3.500 . 3.500 2.616 2.489 2.688 . 0 0 "[ . 1]" 3
48 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.233 2.226 2.247 . 0 0 "[ . 1]" 3
49 1 15 ILE HB 1 16 ALA H 3.500 . 3.500 2.683 2.632 2.740 . 0 0 "[ . 1]" 3
50 1 12 LEU QD 1 16 ALA H 2.800 . 3.300 3.624 3.543 3.681 0.381 8 0 "[ . 1]" 3
51 1 22 LEU H 1 22 LEU QD 3.500 . 3.500 3.711 3.674 3.728 0.228 7 0 "[ . 1]" 3
52 1 19 VAL QG 1 22 LEU H 5.000 . 5.000 4.113 4.000 4.211 . 0 0 "[ . 1]" 3
53 1 21 LEU QD 1 22 LEU H 4.000 . 4.000 3.272 3.119 3.414 . 0 0 "[ . 1]" 3
54 1 40 LYS H 1 40 LYS QB 2.800 . 2.800 2.505 2.425 2.625 . 0 0 "[ . 1]" 3
55 1 40 LYS H 1 40 LYS HA 2.800 . 2.800 2.868 2.845 2.896 0.096 10 0 "[ . 1]" 3
56 1 11 GLN QB 1 12 LEU H . . 5.500 2.796 2.589 2.970 . 0 0 "[ . 1]" 3
57 1 17 VAL H 1 18 ILE H 3.500 . 3.500 2.688 2.645 2.732 . 0 0 "[ . 1]" 3
58 1 31 ILE QG 1 32 GLY H 4.500 . 4.500 2.668 2.234 3.773 . 0 0 "[ . 1]" 3
59 1 44 LYS QB 1 45 ALA H 3.500 . 3.500 3.135 2.806 3.326 . 0 0 "[ . 1]" 3
60 1 8 SER QB 1 9 ILE H 3.500 . 3.500 3.169 2.060 3.845 0.345 3 0 "[ . 1]" 3
61 1 9 ILE H 1 10 TRP H 3.500 . 3.500 2.572 2.255 2.840 . 0 0 "[ . 1]" 3
62 1 10 TRP H 1 12 LEU H 4.500 . 4.500 3.925 3.765 4.148 . 0 0 "[ . 1]" 3
63 1 9 ILE HA 1 10 TRP H 3.500 . 3.500 3.447 3.386 3.525 0.025 4 0 "[ . 1]" 3
64 1 9 ILE MG 1 10 TRP H 3.500 . 3.500 3.803 3.588 3.899 0.399 2 0 "[ . 1]" 3
65 1 11 GLN H 1 11 GLN QG . . 4.500 2.850 2.437 3.554 . 0 0 "[ . 1]" 3
66 1 11 GLN H 1 12 LEU H . . 3.500 2.539 2.482 2.617 . 0 0 "[ . 1]" 3
67 1 8 SER H 1 11 GLN H 6.500 . 6.500 3.947 3.496 4.286 . 0 0 "[ . 1]" 3
68 1 9 ILE MD 1 10 TRP H 5.000 . 5.000 4.383 4.308 4.452 . 0 0 "[ . 1]" 3
69 1 18 ILE H 1 20 VAL H 4.500 . 4.500 4.221 4.155 4.274 . 0 0 "[ . 1]" 3
70 1 16 ALA HA 1 19 VAL H 4.500 . 4.500 3.498 3.417 3.560 . 0 0 "[ . 1]" 3
71 1 17 VAL HA 1 20 VAL H 3.500 . 3.500 3.451 3.364 3.550 0.050 7 0 "[ . 1]" 3
72 1 20 VAL H 1 21 LEU H 2.800 . 2.800 2.854 2.794 2.898 0.098 8 0 "[ . 1]" 3
73 1 21 LEU HG 1 22 LEU H 4.500 . 4.500 2.345 2.169 2.584 . 0 0 "[ . 1]" 3
74 1 35 LEU H 1 35 LEU QB 3.500 . 3.500 2.145 2.104 2.206 . 0 0 "[ . 1]" 3
75 1 10 TRP H 1 13 LEU QB 5.000 . 5.000 4.980 4.806 5.251 0.251 7 0 "[ . 1]" 3
76 1 10 TRP HA 1 13 LEU H 3.500 . 3.500 3.943 3.847 4.029 0.529 9 1 "[ . +1]" 3
77 1 15 ILE H 1 16 ALA MB 4.500 . 4.500 4.292 4.178 4.352 . 0 0 "[ . 1]" 3
78 1 13 LEU HA 1 16 ALA H 3.500 . 3.500 3.718 3.518 3.837 0.337 9 0 "[ . 1]" 3
79 1 16 ALA HA 1 17 VAL H 4.500 . 4.500 3.557 3.545 3.575 . 0 0 "[ . 1]" 3
80 1 18 ILE HB 1 20 VAL H 5.500 . 5.500 5.133 5.093 5.162 . 0 0 "[ . 1]" 3
81 1 39 ILE H 1 39 ILE MG 4.500 . 4.500 2.769 2.360 3.309 . 0 0 "[ . 1]" 3
82 1 39 ILE MG 1 43 LYS H . . 3.500 4.700 4.543 4.877 1.377 7 10 [***-**+***] 3
83 1 17 VAL H 1 19 VAL H 4.500 . 4.500 3.951 3.901 4.003 . 0 0 "[ . 1]" 3
84 1 15 ILE HA 1 19 VAL H 4.500 . 4.500 3.214 3.183 3.242 . 0 0 "[ . 1]" 3
85 1 10 TRP QB 1 13 LEU H 5.500 . 5.500 5.035 4.940 5.092 . 0 0 "[ . 1]" 3
86 1 21 LEU H 1 21 LEU HG 3.500 . 4.000 2.297 2.141 2.475 . 0 0 "[ . 1]" 3
87 1 9 ILE H 1 9 ILE MD 4.500 . 4.500 3.058 2.798 3.401 . 0 0 "[ . 1]" 3
88 1 12 LEU H 1 13 LEU H 2.800 . 2.800 2.666 2.568 2.726 . 0 0 "[ . 1]" 3
89 1 12 LEU H 1 12 LEU QB . . 2.800 2.084 2.012 2.159 . 0 0 "[ . 1]" 3
90 1 13 LEU H 1 13 LEU QB 2.800 . 2.800 2.033 2.012 2.069 . 0 0 "[ . 1]" 3
91 1 13 LEU H 1 13 LEU QD 3.500 . 3.500 3.636 3.590 3.685 0.185 10 0 "[ . 1]" 3
92 1 15 ILE HA 1 18 ILE H 5.500 . 5.500 3.491 3.412 3.563 . 0 0 "[ . 1]" 3
93 1 18 ILE H 1 18 ILE HA 2.800 . 2.800 2.811 2.799 2.832 0.032 8 0 "[ . 1]" 3
94 1 20 VAL H 1 20 VAL HA 2.800 . 2.800 2.791 2.776 2.802 0.002 9 0 "[ . 1]" 3
95 1 37 ALA H 1 37 ALA HA 2.800 . 2.800 2.843 2.833 2.867 0.067 3 0 "[ . 1]" 3
96 1 44 LYS H 1 44 LYS QB 2.800 . 2.800 2.251 2.169 2.345 . 0 0 "[ . 1]" 3
97 1 10 TRP QB 1 10 TRP HE1 4.500 . 4.500 4.426 4.385 4.460 . 0 0 "[ . 1]" 3
98 1 21 LEU H 1 21 LEU QD 3.500 . 3.500 2.091 1.883 2.316 . 0 0 "[ . 1]" 3
99 1 11 GLN H 1 11 GLN QB 3.500 . 3.500 2.431 2.164 2.563 . 0 0 "[ . 1]" 3
100 1 10 TRP H 1 11 GLN H 3.500 . 3.500 3.059 2.963 3.166 . 0 0 "[ . 1]" 3
101 1 9 ILE HA 1 12 LEU H 4.500 . 4.500 3.443 3.310 3.599 . 0 0 "[ . 1]" 3
102 1 17 VAL H 1 20 VAL H 5.500 . 5.500 5.043 4.972 5.178 . 0 0 "[ . 1]" 3
103 1 11 GLN QB 1 11 GLN QE 3.500 . 3.500 3.140 2.716 3.542 0.042 6 0 "[ . 1]" 3
104 1 16 ALA H 1 17 VAL HB 5.500 . 5.500 4.650 4.592 4.735 . 0 0 "[ . 1]" 3
105 1 16 ALA MB 1 19 VAL H 5.500 . 5.500 4.536 4.481 4.569 . 0 0 "[ . 1]" 3
106 1 39 ILE H 1 39 ILE HA 2.800 . 2.800 2.830 2.810 2.855 0.055 2 0 "[ . 1]" 3
107 1 39 ILE H 1 39 ILE QG 3.500 . 3.500 4.021 3.844 4.102 0.602 2 7 "[*+* .***-1]" 3
108 1 11 GLN H 1 11 GLN HA 2.800 . 2.800 2.840 2.817 2.854 0.054 8 0 "[ . 1]" 3
109 1 32 GLY H 1 32 GLY QA 2.800 . 2.800 2.202 2.187 2.210 . 0 0 "[ . 1]" 3
110 1 44 LYS H 1 44 LYS QG 4.500 . 4.500 4.010 3.957 4.076 . 0 0 "[ . 1]" 3
111 1 16 ALA MB 1 18 ILE H 5.500 . 5.500 4.636 4.585 4.673 . 0 0 "[ . 1]" 3
112 1 39 ILE H 1 39 ILE MD 3.500 . 3.500 3.632 2.960 4.357 0.857 5 1 "[ + 1]" 3
113 1 33 SER QB 1 34 ASP H 4.500 . 4.500 2.534 2.409 2.665 . 0 0 "[ . 1]" 3
114 1 12 LEU H 1 12 LEU QD 3.500 . 3.500 2.611 2.384 3.200 . 0 0 "[ . 1]" 3
115 1 41 GLY H 1 41 GLY QA 2.800 . 2.800 2.243 2.228 2.268 . 0 0 "[ . 1]" 3
116 1 47 SER QB 1 48 ASP H 3.500 . 3.500 3.048 2.323 3.987 0.487 9 0 "[ . 1]" 3
117 1 40 LYS H 1 40 LYS QD 5.500 . 5.500 3.897 3.738 4.004 . 0 0 "[ . 1]" 3
118 1 38 SER H 1 39 ILE QG 5.500 . 6.000 6.181 5.949 6.340 0.340 7 0 "[ . 1]" 3
119 1 8 SER QB 1 10 TRP H 4.500 . 4.500 3.109 2.395 4.112 . 0 0 "[ . 1]" 3
120 1 15 ILE H 1 17 VAL H 4.500 . 4.500 4.099 3.984 4.200 . 0 0 "[ . 1]" 3
121 1 21 LEU QB 1 22 LEU H 4.500 . 4.500 3.623 3.544 3.722 . 0 0 "[ . 1]" 3
122 1 37 ALA HA 1 40 LYS H . . 3.500 3.585 3.493 3.684 0.184 8 0 "[ . 1]" 3
123 1 43 LYS H 1 43 LYS QD 4.500 . 4.500 3.893 3.304 4.158 . 0 0 "[ . 1]" 3
124 1 14 ILE H 1 14 ILE MD 2.800 . 2.800 2.943 2.226 3.546 0.746 9 5 "[ ***- +1]" 3
125 1 18 ILE H 1 18 ILE QG 4.500 . 4.500 2.059 1.957 2.172 . 0 0 "[ . 1]" 3
126 1 18 ILE HB 1 19 VAL H 4.500 . 4.500 2.824 2.744 2.936 . 0 0 "[ . 1]" 3
127 1 30 SER QB 1 31 ILE H 3.500 . 3.500 2.259 1.975 2.681 . 0 0 "[ . 1]" 3
128 1 42 PHE QB 1 43 LYS H 2.800 . 2.800 3.176 2.773 3.591 0.791 5 4 "[ *+ -*]" 3
129 1 47 SER H 1 47 SER QB 3.500 . 3.500 3.008 2.817 3.350 . 0 0 "[ . 1]" 3
130 1 18 ILE HA 1 21 LEU H 3.500 . 4.000 3.744 3.605 3.910 . 0 0 "[ . 1]" 3
131 1 20 VAL HA 1 21 LEU H 4.500 . 4.500 3.567 3.551 3.577 . 0 0 "[ . 1]" 3
132 1 17 VAL QG 1 21 LEU H 5.500 . 5.500 4.490 4.389 4.563 . 0 0 "[ . 1]" 3
133 1 31 ILE MG 1 32 GLY H 4.500 . 4.500 3.287 2.103 3.807 . 0 0 "[ . 1]" 3
134 1 11 GLN H 1 14 ILE MD 4.500 . 5.000 4.306 4.001 4.439 . 0 0 "[ . 1]" 3
135 1 8 SER H 1 12 LEU H 5.500 . 5.500 5.076 4.274 6.718 1.218 6 1 "[ .+ 1]" 3
136 1 19 VAL HA 1 22 LEU H 4.500 . 4.500 3.295 3.208 3.416 . 0 0 "[ . 1]" 3
137 1 16 ALA HA 1 20 VAL H 4.500 . 4.500 4.934 4.758 5.218 0.718 9 2 "[ . - +1]" 3
138 1 35 LEU H 1 36 GLY QA 4.500 . 4.500 4.430 4.357 4.473 . 0 0 "[ . 1]" 3
139 1 15 ILE H 1 15 ILE QG 3.500 . 3.500 1.685 1.605 1.786 0.195 6 0 "[ . 1]" 3
140 1 17 VAL HB 1 18 ILE H 3.500 . 3.500 2.740 2.653 2.835 . 0 0 "[ . 1]" 3
141 1 38 SER H 1 39 ILE MD 5.500 . 5.500 5.424 4.587 6.284 0.784 5 1 "[ + 1]" 3
142 1 38 SER H 1 39 ILE MG 6.500 . 6.500 4.542 3.978 5.163 . 0 0 "[ . 1]" 3
143 1 34 ASP H 1 34 ASP QB 3.500 . 3.500 2.210 2.057 2.340 . 0 0 "[ . 1]" 3
144 1 16 ALA MB 1 20 VAL H 5.000 . 5.000 5.127 4.980 5.360 0.360 9 0 "[ . 1]" 3
145 1 35 LEU H 1 35 LEU QD 3.500 . 3.500 2.997 2.745 3.409 . 0 0 "[ . 1]" 3
146 1 10 TRP HA 1 12 LEU H 4.500 . 4.500 4.451 4.332 4.565 0.065 10 0 "[ . 1]" 3
147 1 12 LEU HA 1 15 ILE H 4.500 . 4.500 3.912 3.759 3.974 . 0 0 "[ . 1]" 3
148 1 18 ILE H 1 18 ILE MD 3.500 . 3.500 3.465 3.409 3.508 0.008 8 0 "[ . 1]" 3
149 1 15 ILE HA 1 16 ALA H 3.500 . 3.500 3.538 3.526 3.548 0.048 2 0 "[ . 1]" 3
150 1 8 SER H 1 11 GLN QG 4.500 . 4.500 6.084 4.584 8.398 3.898 6 8 "[ ***-+** *]" 3
151 1 17 VAL HA 1 21 LEU H 4.500 . 4.500 5.259 5.162 5.424 0.924 9 10 [*-******+*] 3
152 1 13 LEU QB 1 17 VAL H 5.500 . 5.500 4.695 4.570 4.841 . 0 0 "[ . 1]" 3
153 1 14 ILE QG 1 17 VAL H 5.500 . 5.500 5.609 5.487 5.800 0.300 7 0 "[ . 1]" 3
154 1 12 LEU H 1 12 LEU HG . . 4.500 3.881 3.529 4.268 . 0 0 "[ . 1]" 3
155 1 22 LEU H 1 22 LEU HG . . 4.500 4.018 3.955 4.077 . 0 0 "[ . 1]" 3
156 1 10 TRP QB 1 11 GLN H 4.500 . 4.500 2.147 2.012 2.258 . 0 0 "[ . 1]" 3
157 1 10 TRP HA 1 11 GLN H 4.500 . 4.500 3.573 3.562 3.583 . 0 0 "[ . 1]" 3
158 1 35 LEU H 1 35 LEU HG 4.500 . 4.500 3.423 3.063 3.867 . 0 0 "[ . 1]" 3
159 1 39 ILE H 1 39 ILE HB 3.500 . 3.500 2.260 2.087 2.421 . 0 0 "[ . 1]" 3
160 1 31 ILE H 1 31 ILE HB 3.500 . 3.500 3.389 2.606 3.646 0.146 5 0 "[ . 1]" 3
161 1 18 ILE H 1 18 ILE HB 3.500 . 3.500 2.541 2.482 2.601 . 0 0 "[ . 1]" 3
162 1 15 ILE H 1 15 ILE HB 2.800 . 2.800 2.869 2.811 2.958 0.158 6 0 "[ . 1]" 3
163 1 15 ILE H 1 15 ILE MG 3.500 . 3.500 3.741 3.705 3.770 0.270 7 0 "[ . 1]" 3
164 1 15 ILE QG 1 16 ALA H 4.500 . 4.500 3.622 3.483 3.691 . 0 0 "[ . 1]" 3
165 1 20 VAL QG 1 21 LEU H 4.000 . 4.000 3.162 3.089 3.250 . 0 0 "[ . 1]" 3
166 1 18 ILE MG 1 19 VAL H 4.500 . 4.500 3.614 3.516 3.751 . 0 0 "[ . 1]" 3
167 1 20 VAL H 1 21 LEU HA 5.500 . 5.500 5.415 5.378 5.451 . 0 0 "[ . 1]" 3
168 1 20 VAL H 1 21 LEU QD 4.500 . 4.500 3.709 3.534 3.910 . 0 0 "[ . 1]" 3
169 1 17 VAL HB 1 20 VAL H 4.500 . 4.500 3.129 3.027 3.260 . 0 0 "[ . 1]" 3
170 1 14 ILE HB 1 17 VAL H 5.500 . 5.500 5.634 5.475 5.885 0.385 7 0 "[ . 1]" 3
171 1 10 TRP H 1 10 TRP HE1 6.500 . 6.500 6.263 5.191 6.687 0.187 6 0 "[ . 1]" 3
172 1 39 ILE MG 1 40 LYS H 3.500 . 3.500 2.332 2.266 2.428 . 0 0 "[ . 1]" 3
173 1 20 VAL H 1 21 LEU HG 4.500 . 5.000 4.487 4.355 4.646 . 0 0 "[ . 1]" 3
174 1 40 LYS H 1 40 LYS QG . . 3.500 2.261 2.154 2.385 . 0 0 "[ . 1]" 3
175 1 16 ALA H 1 17 VAL QG 4.500 . 4.500 4.412 4.300 4.497 . 0 0 "[ . 1]" 3
176 1 16 ALA H 1 19 VAL QG 4.500 . 4.500 4.772 4.684 4.969 0.469 5 0 "[ . 1]" 3
177 1 31 ILE HB 1 32 GLY H 4.500 . 4.500 4.098 3.956 4.328 . 0 0 "[ . 1]" 3
178 1 9 ILE HB 1 10 TRP H 4.500 . 4.500 2.945 2.546 3.117 . 0 0 "[ . 1]" 3
179 1 8 SER H 1 11 GLN QB 4.500 . 4.500 4.792 3.864 6.971 2.471 6 4 "[ *-.+* 1]" 3
180 1 19 VAL H 1 20 VAL QG 4.500 . 4.500 3.737 3.700 3.785 . 0 0 "[ . 1]" 3
181 1 35 LEU QB 1 38 SER H . . 4.500 4.588 4.450 4.723 0.223 9 0 "[ . 1]" 3
182 1 42 PHE QD 1 46 MET ME 3.500 . 3.500 3.792 2.377 4.616 1.116 1 4 "[+* .* -]" 3
183 1 46 MET HA 1 46 MET ME 4.500 . 5.000 4.347 4.142 4.578 . 0 0 "[ . 1]" 3
184 1 43 LYS HA 1 46 MET ME 4.500 . 4.500 3.378 2.344 4.701 0.201 1 0 "[ . 1]" 3
185 1 45 ALA MB 1 46 MET ME 5.500 . 5.500 4.598 3.542 5.165 . 0 0 "[ . 1]" 3
186 1 9 ILE HA 1 9 ILE MG 3.500 . 3.500 2.378 2.332 2.441 . 0 0 "[ . 1]" 3
187 1 9 ILE HB 1 9 ILE MD 3.500 . 3.500 3.237 3.229 3.246 . 0 0 "[ . 1]" 3
188 1 39 ILE QG 1 39 ILE MG 2.800 . 2.800 2.108 2.080 2.268 . 0 0 "[ . 1]" 3
189 1 9 ILE HA 1 9 ILE QG 3.500 . 3.500 2.986 2.899 3.040 . 0 0 "[ . 1]" 3
190 1 9 ILE MD 1 9 ILE MG 3.500 . 3.500 1.950 1.911 1.984 . 0 0 "[ . 1]" 3
191 1 12 LEU HA 1 15 ILE HB 3.500 . 3.500 4.136 3.980 4.542 1.042 6 9 [-****+***1] 3
192 1 13 LEU HA 1 16 ALA MB 3.500 . 3.500 2.608 2.482 2.682 . 0 0 "[ . 1]" 3
193 1 12 LEU MD1 1 13 LEU QB 2.800 . 2.800 1.963 1.953 1.989 . 0 0 "[ . 1]" 3
194 1 28 LEU HG 1 31 ILE QG 6.500 . 7.000 4.831 3.855 7.092 0.092 1 0 "[ . 1]" 3
195 1 9 ILE HA 1 12 LEU HG 4.500 . 4.500 3.228 2.970 3.389 . 0 0 "[ . 1]" 3
196 1 13 LEU HA 1 13 LEU HG 3.500 . 3.500 2.760 2.672 2.921 . 0 0 "[ . 1]" 3
197 1 35 LEU HA 1 35 LEU HG . . 3.500 2.185 2.050 2.349 . 0 0 "[ . 1]" 3
198 1 12 LEU H 1 13 LEU HG 4.500 . 5.000 4.814 4.754 4.941 . 0 0 "[ . 1]" 3
199 1 18 ILE H 1 21 LEU QD 5.500 . 5.500 4.126 4.013 4.260 . 0 0 "[ . 1]" 3
200 1 35 LEU QB 1 35 LEU QD 2.800 . 2.800 1.869 1.860 1.882 . 0 0 "[ . 1]" 3
201 1 13 LEU HA 1 13 LEU QD 3.500 . 4.500 1.941 1.907 1.982 . 0 0 "[ . 1]" 3
202 1 13 LEU QB 1 13 LEU QD 2.800 . 2.800 1.963 1.954 1.990 . 0 0 "[ . 1]" 3
203 1 14 ILE HA 1 14 ILE MG 3.500 . 3.500 2.572 2.372 2.838 . 0 0 "[ . 1]" 3
204 1 14 ILE HA 1 17 VAL QG 3.500 . 3.500 3.377 3.257 3.539 0.039 4 0 "[ . 1]" 3
205 1 14 ILE H 1 14 ILE HB 3.500 . 3.500 2.421 2.165 2.640 . 0 0 "[ . 1]" 3
206 1 14 ILE HB 1 15 ILE HA 4.500 . 4.500 4.537 4.203 5.001 0.501 7 1 "[ . + 1]" 3
207 1 14 ILE HA 1 14 ILE MD 4.500 . 4.500 3.303 2.503 3.850 . 0 0 "[ . 1]" 3
208 1 11 GLN HA 1 14 ILE MD 3.500 . 3.500 2.338 1.914 2.995 . 0 0 "[ . 1]" 3
209 1 10 TRP HE3 1 14 ILE MD 4.500 . 4.500 2.582 2.234 3.086 . 0 0 "[ . 1]" 3
210 1 15 ILE HA 1 15 ILE MG 2.800 . 3.300 2.062 2.032 2.100 . 0 0 "[ . 1]" 3
211 1 15 ILE HA 1 15 ILE QG 3.500 . 3.500 2.668 2.638 2.726 . 0 0 "[ . 1]" 3
212 1 14 ILE HB 1 15 ILE QG 5.500 . 5.500 2.967 2.671 3.291 . 0 0 "[ . 1]" 3
213 1 15 ILE H 1 15 ILE MD 3.500 . 3.500 3.338 3.299 3.393 . 0 0 "[ . 1]" 3
214 1 17 VAL HA 1 18 ILE H 5.500 . 5.500 3.546 3.533 3.553 . 0 0 "[ . 1]" 3
215 1 16 ALA MB 1 17 VAL HA 4.500 . 4.500 3.847 3.828 3.867 . 0 0 "[ . 1]" 3
216 1 17 VAL HA 1 17 VAL QG 2.800 . 3.300 1.919 1.881 1.961 . 0 0 "[ . 1]" 3
217 1 17 VAL HA 1 17 VAL QG 2.800 . 3.300 2.103 2.066 2.143 . 0 0 "[ . 1]" 3
218 1 18 ILE H 1 19 VAL HB 6.500 . 6.500 4.403 4.310 4.482 . 0 0 "[ . 1]" 3
219 1 19 VAL HB 1 20 VAL H 4.500 . 4.500 3.145 3.039 3.283 . 0 0 "[ . 1]" 3
220 1 14 ILE HA 1 17 VAL QG 2.800 . 3.300 2.110 2.088 2.125 . 0 0 "[ . 1]" 3
221 1 16 ALA MB 1 17 VAL QG 5.000 . 5.000 3.003 2.974 3.070 . 0 0 "[ . 1]" 3
222 1 18 ILE HA 1 21 LEU QD . . 4.000 2.043 1.950 2.125 . 0 0 "[ . 1]" 3
223 1 13 LEU H 1 14 ILE HB 5.500 . 5.500 4.497 4.232 4.677 . 0 0 "[ . 1]" 3
224 1 18 ILE HB 1 18 ILE MD 2.800 . 2.800 2.383 2.361 2.402 . 0 0 "[ . 1]" 3
225 1 15 ILE MG 1 16 ALA MB 3.500 . 4.000 4.612 4.550 4.698 0.698 6 10 [*****+***-] 3
226 1 14 ILE HA 1 17 VAL HB 3.500 . 3.500 2.935 2.719 3.199 . 0 0 "[ . 1]" 3
227 1 16 ALA HA 1 19 VAL HB 4.500 . 4.500 2.503 2.391 2.656 . 0 0 "[ . 1]" 3
228 1 16 ALA HA 1 19 VAL QG 3.500 . 4.000 2.989 2.909 3.138 . 0 0 "[ . 1]" 3
229 1 19 VAL HA 1 19 VAL QG 2.800 . 2.800 1.842 1.834 1.854 . 0 0 "[ . 1]" 3
230 1 20 VAL HA 1 20 VAL QG 2.800 . 2.800 2.132 2.105 2.151 . 0 0 "[ . 1]" 3
231 1 20 VAL QG 1 21 LEU H 4.500 . 4.500 3.096 3.028 3.180 . 0 0 "[ . 1]" 3
232 1 16 ALA HA 1 20 VAL QG . . 6.000 4.654 4.468 4.938 . 0 0 "[ . 1]" 3
233 1 17 VAL HA 1 20 VAL QG 4.500 . 4.500 2.221 2.106 2.301 . 0 0 "[ . 1]" 3
234 1 26 LYS HA 1 26 LYS QG 3.500 . 3.500 2.328 2.218 2.426 . 0 0 "[ . 1]" 3
235 1 28 LEU HA 1 31 ILE QG 5.500 . 5.500 3.118 2.109 5.504 0.004 1 0 "[ . 1]" 3
236 1 27 LYS HA 1 27 LYS QB 2.800 . 2.800 2.393 2.292 2.468 . 0 0 "[ . 1]" 3
237 1 41 GLY QA 1 44 LYS QG 6.500 . 6.500 4.314 3.818 5.064 . 0 0 "[ . 1]" 3
238 1 44 LYS HA 1 44 LYS QG . . 3.500 2.374 2.230 2.664 . 0 0 "[ . 1]" 3
239 1 27 LYS HA 1 27 LYS QE 5.500 . 5.500 4.081 1.984 4.853 . 0 0 "[ . 1]" 3
240 1 9 ILE HA 1 13 LEU QD 7.000 . 7.000 5.269 4.999 5.690 . 0 0 "[ . 1]" 3
241 1 30 SER QB 1 31 ILE MG 5.000 . 5.000 2.889 2.419 4.009 . 0 0 "[ . 1]" 3
242 1 30 SER QB 1 31 ILE QG . . 4.500 4.655 4.222 5.429 0.929 1 2 "[+ - . 1]" 3
243 1 33 SER HA 1 33 SER QB 2.800 . 2.800 2.435 2.389 2.503 . 0 0 "[ . 1]" 3
244 1 30 SER QB 1 33 SER H 5.500 . 5.500 4.945 4.698 5.237 . 0 0 "[ . 1]" 3
245 1 29 GLY H 1 30 SER QB 5.500 . 5.500 4.835 4.542 5.027 . 0 0 "[ . 1]" 3
246 1 27 LYS H 1 30 SER QB . . 6.500 5.778 5.323 6.234 . 0 0 "[ . 1]" 3
247 1 31 ILE HA 1 31 ILE QG 3.500 . 3.500 3.107 2.433 3.336 . 0 0 "[ . 1]" 3
248 1 31 ILE HA 1 31 ILE MG 3.500 . 3.500 2.702 2.413 3.217 . 0 0 "[ . 1]" 3
249 1 37 ALA HA 1 38 SER H 3.500 . 3.500 3.452 3.416 3.492 . 0 0 "[ . 1]" 3
250 1 42 PHE QD 1 45 ALA MB 4.500 . 4.500 4.424 3.385 5.220 0.720 8 2 "[ - . + 1]" 3
251 1 45 ALA H 1 45 ALA MB 3.500 . 3.500 2.306 2.265 2.343 . 0 0 "[ . 1]" 3
252 1 40 LYS HA 1 40 LYS QB 2.800 . 2.800 2.177 2.169 2.183 . 0 0 "[ . 1]" 3
253 1 39 ILE MG 1 40 LYS HA 3.500 . 3.500 3.036 2.991 3.127 . 0 0 "[ . 1]" 3
254 1 18 ILE QG 1 19 VAL H . . 4.500 4.035 3.952 4.140 . 0 0 "[ . 1]" 3
255 1 42 PHE QB 1 43 LYS HA 4.500 . 4.500 4.656 4.460 4.744 0.244 9 0 "[ . 1]" 3
256 1 43 LYS HA 1 43 LYS QB . . 2.800 2.466 2.412 2.530 . 0 0 "[ . 1]" 3
257 1 43 LYS HA 1 43 LYS QD 4.500 . 4.500 2.480 1.914 3.884 . 0 0 "[ . 1]" 3
258 1 43 LYS HA 1 43 LYS QG . . 2.800 2.458 2.255 2.883 0.083 8 0 "[ . 1]" 3
259 1 27 LYS H 1 27 LYS QB 3.500 . 3.500 2.343 2.231 2.731 . 0 0 "[ . 1]" 3
260 1 26 LYS QB 1 26 LYS QE 4.500 . 4.500 2.640 1.890 3.642 . 0 0 "[ . 1]" 3
261 1 27 LYS QE 1 27 LYS QG 2.800 . 2.800 2.249 2.133 2.439 . 0 0 "[ . 1]" 3
262 1 44 LYS HA 1 44 LYS QD 4.500 . 4.500 3.314 2.017 3.971 . 0 0 "[ . 1]" 3
263 1 44 LYS HA 1 44 LYS QB 2.800 . 2.800 2.446 2.398 2.484 . 0 0 "[ . 1]" 3
264 1 43 LYS H 1 44 LYS HA 5.500 . 5.500 5.051 4.832 5.231 . 0 0 "[ . 1]" 3
265 1 46 MET HA 1 46 MET QG 3.500 . 3.500 2.606 2.340 3.314 . 0 0 "[ . 1]" 3
266 1 47 SER HA 1 47 SER QB 2.800 . 2.800 2.196 2.153 2.382 . 0 0 "[ . 1]" 3
267 1 26 LYS QB 1 27 LYS HA 5.500 . 5.500 3.909 3.749 4.367 . 0 0 "[ . 1]" 3
268 1 26 LYS QG 1 27 LYS H 4.500 . 4.500 4.197 3.979 4.483 . 0 0 "[ . 1]" 3
269 1 41 GLY QA 1 44 LYS QG 6.500 . 6.500 3.624 3.089 3.915 . 0 0 "[ . 1]" 3
270 1 26 LYS HA 1 26 LYS QB . . 2.800 2.451 2.404 2.509 . 0 0 "[ . 1]" 3
271 1 18 ILE MD 1 19 VAL H 4.500 . 4.500 4.660 4.540 4.753 0.253 9 0 "[ . 1]" 3
272 1 9 ILE HA 1 9 ILE MD 3.500 . 3.500 2.112 2.057 2.227 . 0 0 "[ . 1]" 3
273 1 9 ILE MG 1 10 TRP HA 4.500 . 4.500 3.869 3.696 3.978 . 0 0 "[ . 1]" 3
274 1 9 ILE HA 1 12 LEU MD1 4.500 . 5.000 4.215 3.810 4.503 . 0 0 "[ . 1]" 3
275 1 10 TRP HA 1 13 LEU QD 4.500 . 4.500 3.882 3.648 4.314 . 0 0 "[ . 1]" 3
276 1 15 ILE MG 1 16 ALA HA 3.500 . 3.500 4.057 3.981 4.205 0.705 6 7 "[** *-+** 1]" 3
277 1 13 LEU QD 1 16 ALA H 5.500 . 6.000 4.552 4.363 4.709 . 0 0 "[ . 1]" 3
278 1 42 PHE HA 1 42 PHE QB 2.800 . 2.800 2.168 2.154 2.193 . 0 0 "[ . 1]" 3
279 1 42 PHE HA 1 42 PHE QD 3.500 . 3.500 3.345 2.826 3.720 0.220 5 0 "[ . 1]" 3
280 1 14 ILE HA 1 17 VAL HA 6.500 . 6.500 5.778 5.578 5.973 . 0 0 "[ . 1]" 3
281 1 39 ILE HA 1 39 ILE QG 3.500 . 3.500 2.410 2.210 2.542 . 0 0 "[ . 1]" 3
282 1 39 ILE HA 1 39 ILE MD 3.500 . 3.500 2.236 2.027 3.673 0.173 5 0 "[ . 1]" 3
283 1 39 ILE HA 1 39 ILE MG . . 2.800 3.131 2.971 3.212 0.412 5 0 "[ . 1]" 3
284 1 12 LEU H 1 12 LEU MD2 4.500 . 4.500 2.639 2.397 3.288 . 0 0 "[ . 1]" 3
285 1 22 LEU QB 1 22 LEU MD2 2.800 . 2.800 2.268 2.233 2.287 . 0 0 "[ . 1]" 3
286 1 19 VAL HA 1 22 LEU MD2 6.000 . 6.000 4.282 4.226 4.349 . 0 0 "[ . 1]" 3
287 1 22 LEU H 1 22 LEU MD2 4.500 . 4.500 4.294 4.278 4.319 . 0 0 "[ . 1]" 3
288 1 22 LEU QB 1 22 LEU MD1 2.800 . 2.800 2.090 2.057 2.112 . 0 0 "[ . 1]" 3
289 1 12 LEU QB 1 12 LEU MD1 2.800 . 2.800 2.172 2.080 2.252 . 0 0 "[ . 1]" 3
290 1 22 LEU HA 1 22 LEU MD2 4.000 . 4.000 2.480 2.412 2.577 . 0 0 "[ . 1]" 3
291 1 22 LEU HA 1 22 LEU QB 2.800 . 2.800 2.506 2.497 2.517 . 0 0 "[ . 1]" 3
292 1 19 VAL HA 1 22 LEU MD1 4.500 . 4.500 2.572 2.422 2.667 . 0 0 "[ . 1]" 3
293 1 22 LEU H 1 22 LEU MD1 4.500 . 4.500 4.060 4.002 4.100 . 0 0 "[ . 1]" 3
294 1 21 LEU QB 1 21 LEU QD . . 2.800 1.847 1.804 1.858 . 0 0 "[ . 1]" 3
295 1 40 LYS HA 1 40 LYS QD 4.500 . 4.500 4.266 4.236 4.286 . 0 0 "[ . 1]" 3
296 1 10 TRP HA 1 10 TRP HE3 4.500 . 4.500 3.847 3.262 4.258 . 0 0 "[ . 1]" 3
297 1 9 ILE MG 1 13 LEU HG 5.500 . 5.500 2.876 2.475 3.260 . 0 0 "[ . 1]" 3
298 1 12 LEU H 1 12 LEU MD1 4.500 . 4.500 3.660 3.586 3.718 . 0 0 "[ . 1]" 3
299 1 12 LEU HA 1 12 LEU MD1 3.500 . 3.500 2.569 2.167 2.963 . 0 0 "[ . 1]" 3
300 1 13 LEU QD 1 14 ILE H 4.500 . 4.500 3.984 3.831 4.071 . 0 0 "[ . 1]" 3
301 1 14 ILE HA 1 14 ILE QG . . 3.500 2.287 2.100 2.439 . 0 0 "[ . 1]" 3
302 1 13 LEU H 1 14 ILE MD 4.500 . 4.500 4.566 3.933 5.179 0.679 9 5 "[ ***- +1]" 3
303 1 14 ILE MD 1 15 ILE H 4.500 . 4.500 4.347 4.271 4.479 . 0 0 "[ . 1]" 3
304 1 14 ILE HB 1 16 ALA H 5.500 . 5.500 4.956 4.695 5.187 . 0 0 "[ . 1]" 3
305 1 14 ILE HB 1 15 ILE H 3.500 . 3.500 2.556 2.238 2.984 . 0 0 "[ . 1]" 3
306 1 15 ILE H 1 18 ILE QG 6.500 . 6.500 4.947 4.682 5.084 . 0 0 "[ . 1]" 3
307 1 15 ILE MG 1 16 ALA H 3.500 . 3.500 3.868 3.822 3.944 0.444 6 0 "[ . 1]" 3
308 1 17 VAL HA 1 20 VAL HB 4.500 . 5.000 3.902 3.643 4.117 . 0 0 "[ . 1]" 3
309 1 14 ILE H 1 17 VAL QG 4.500 . 4.500 4.486 4.277 4.648 0.148 4 0 "[ . 1]" 3
310 1 21 LEU H 1 21 LEU QB 3.500 . 3.500 2.627 2.590 2.689 . 0 0 "[ . 1]" 3
311 1 29 GLY QA 1 31 ILE HB 4.500 . 4.500 4.702 4.373 5.089 0.589 3 2 "[- + . 1]" 3
312 1 36 GLY QA 1 39 ILE MD . . 4.500 4.206 3.411 5.016 0.516 3 1 "[ + . 1]" 3
313 1 39 ILE HA 1 42 PHE QD 5.500 . 5.500 2.265 1.874 2.838 . 0 0 "[ . 1]" 3
314 1 39 ILE MD 1 42 PHE QB 5.500 . 5.500 3.975 2.919 6.434 0.934 5 1 "[ + 1]" 3
315 1 46 MET QB 1 47 SER HA 4.500 . 4.500 4.263 4.161 4.410 . 0 0 "[ . 1]" 3
316 1 35 LEU HA 1 37 ALA MB 6.500 . 6.500 4.678 4.596 4.794 . 0 0 "[ . 1]" 3
317 1 35 LEU HA 1 37 ALA H 4.500 . 4.500 4.185 4.009 4.315 . 0 0 "[ . 1]" 3
318 1 35 LEU QD 1 38 SER QB 3.500 . 3.500 3.065 2.461 3.607 0.107 1 0 "[ . 1]" 3
319 1 34 ASP QB 1 35 LEU QD . . 4.500 3.467 2.961 4.023 . 0 0 "[ . 1]" 3
320 1 12 LEU HA 1 15 ILE MD 4.500 . 4.500 3.093 2.867 3.311 . 0 0 "[ . 1]" 3
321 1 31 ILE HA 1 31 ILE MD 4.500 . 4.500 4.079 3.848 4.199 . 0 0 "[ . 1]" 3
322 1 31 ILE MD 1 32 GLY H . . 4.500 4.166 3.926 4.624 0.124 3 0 "[ . 1]" 3
323 1 39 ILE MD 1 40 LYS H 4.000 . 4.500 4.819 4.604 4.942 0.442 3 0 "[ . 1]" 3
324 1 39 ILE MD 1 42 PHE H 4.500 . 4.500 4.990 4.565 6.188 1.688 5 3 "[ -+ *]" 3
325 1 15 ILE HA 1 18 ILE QG 5.000 . 5.000 3.350 3.062 3.526 . 0 0 "[ . 1]" 3
326 1 39 ILE HA 1 42 PHE HA 4.500 . 4.500 3.727 3.688 3.745 . 0 0 "[ . 1]" 3
327 1 43 LYS QB 1 44 LYS HA 4.500 . 4.500 4.049 3.905 4.174 . 0 0 "[ . 1]" 3
328 1 9 ILE MG 1 10 TRP QB 4.500 . 5.000 4.910 4.688 5.124 0.124 7 0 "[ . 1]" 3
329 1 9 ILE MG 1 11 GLN H 5.500 . 5.500 5.442 5.303 5.599 0.099 2 0 "[ . 1]" 3
330 1 10 TRP HA 1 13 LEU QB 3.500 . 3.500 3.305 3.130 3.605 0.105 7 0 "[ . 1]" 3
331 1 16 ALA MB 1 17 VAL HA 4.500 . 4.500 3.869 3.848 3.891 . 0 0 "[ . 1]" 3
332 1 42 PHE QB 1 45 ALA MB 4.500 . 4.500 4.562 3.511 5.284 0.784 8 2 "[ - . + 1]" 3
333 1 34 ASP QB 1 37 ALA MB 4.500 . 4.500 4.634 4.513 4.775 0.275 10 0 "[ . 1]" 3
334 1 37 ALA MB 1 40 LYS QB 4.000 . 4.000 5.000 4.760 5.267 1.267 10 10 [**-******+] 3
335 1 37 ALA HA 1 40 LYS HA 5.500 . 5.500 5.873 5.666 6.050 0.550 10 1 "[ . +]" 3
336 1 36 GLY QA 1 37 ALA HA 5.500 . 5.500 4.044 4.035 4.050 . 0 0 "[ . 1]" 3
337 1 10 TRP H 1 14 ILE MD 6.000 . 6.500 5.473 4.947 5.913 . 0 0 "[ . 1]" 3
338 1 10 TRP HH2 1 14 ILE MD 5.500 . 6.000 4.325 3.841 5.841 . 0 0 "[ . 1]" 3
339 1 8 SER QB 1 9 ILE MG 4.500 . 4.500 5.501 4.913 5.887 1.387 2 9 "[ +******-*]" 3
340 1 9 ILE MG 1 10 TRP HE3 5.500 . 6.000 7.026 6.509 7.391 1.391 2 10 [*+*-******] 3
341 1 39 ILE MD 1 42 PHE QD 4.500 . 4.500 2.868 1.928 5.120 0.620 5 1 "[ + 1]" 3
342 1 35 LEU HA 1 39 ILE MD 5.500 . 5.500 5.214 4.097 6.409 0.909 5 2 "[ - + 1]" 3
343 1 39 ILE MD 1 39 ILE MG 3.500 . 3.500 3.097 1.984 3.250 . 0 0 "[ . 1]" 3
344 1 39 ILE MG 1 42 PHE QD 4.500 . 5.000 4.272 3.759 5.243 0.243 5 0 "[ . 1]" 3
345 1 39 ILE MG 1 42 PHE QB 4.500 . 4.500 5.277 4.473 6.405 1.905 5 7 "[* *+*- **]" 3
346 1 38 SER HA 1 41 GLY QA 5.500 . 5.500 3.787 3.261 4.158 . 0 0 "[ . 1]" 3
347 1 41 GLY QA 1 42 PHE QB . . 4.500 4.230 4.172 4.296 . 0 0 "[ . 1]" 3
348 1 11 GLN HA 1 12 LEU H 4.500 . 4.500 3.002 2.892 3.099 . 0 0 "[ . 1]" 3
349 1 11 GLN HA 1 11 GLN QG 3.500 . 3.500 2.389 2.284 2.486 . 0 0 "[ . 1]" 3
350 1 21 LEU H 1 21 LEU HG 4.000 . 4.500 2.060 1.939 2.250 . 0 0 "[ . 1]" 3
351 1 21 LEU HA 1 21 LEU HG . . 3.500 3.633 3.615 3.648 0.148 9 0 "[ . 1]" 3
352 1 17 VAL HB 1 21 LEU QD 6.500 . 6.500 4.931 4.823 5.135 . 0 0 "[ . 1]" 3
353 1 20 VAL HB 1 21 LEU QD 6.500 . 6.500 3.030 2.844 3.168 . 0 0 "[ . 1]" 3
354 1 16 ALA MB 1 19 VAL HB 5.500 . 5.500 3.852 3.758 3.997 . 0 0 "[ . 1]" 3
355 1 16 ALA HA 1 17 VAL QG . . 5.500 5.001 4.969 5.032 . 0 0 "[ . 1]" 3
356 1 9 ILE HA 1 12 LEU QB 4.500 . 4.500 2.045 1.913 2.226 . 0 0 "[ . 1]" 3
357 1 33 SER QB 1 34 ASP QB 5.500 . 5.500 4.081 3.837 4.371 . 0 0 "[ . 1]" 3
358 1 34 ASP QB 1 35 LEU HG 6.000 . 6.000 4.036 3.629 4.683 . 0 0 "[ . 1]" 3
359 1 31 ILE QG 1 34 ASP QB 6.500 . 6.500 3.698 3.365 3.874 . 0 0 "[ . 1]" 3
360 1 9 ILE MG 1 13 LEU QB 4.500 . 4.500 3.253 2.980 3.515 . 0 0 "[ . 1]" 3
361 1 10 TRP HA 1 10 TRP HH2 7.000 . 7.000 6.752 6.341 7.041 0.041 2 0 "[ . 1]" 3
362 1 11 GLN QB 1 14 ILE H 5.500 . 5.500 4.714 4.640 4.878 . 0 0 "[ . 1]" 3
363 1 26 LYS HA 1 26 LYS QD 4.500 . 4.500 4.069 3.886 4.200 . 0 0 "[ . 1]" 3
364 1 13 LEU QB 1 16 ALA MB 4.500 . 4.500 4.424 4.292 4.513 0.013 1 0 "[ . 1]" 3
365 1 10 TRP HE3 1 13 LEU QD . . 4.500 6.035 5.270 6.476 1.976 7 10 [****-*+***] 3
366 1 14 ILE HB 1 14 ILE MD 3.500 . 3.500 2.362 2.193 2.470 . 0 0 "[ . 1]" 3
367 1 10 TRP QB 1 14 ILE MD 4.500 . 5.000 4.110 3.486 4.622 . 0 0 "[ . 1]" 3
368 1 39 ILE MG 1 43 LYS QG 3.500 . 3.500 5.030 4.392 5.782 2.282 2 10 [*+****-***] 3
369 1 15 ILE QG 1 15 ILE MG 2.800 . 2.800 2.125 2.054 2.166 . 0 0 "[ . 1]" 3
370 1 14 ILE HA 1 17 VAL QG 2.800 . 3.300 1.849 1.839 1.864 . 0 0 "[ . 1]" 3
371 1 21 LEU QB 1 22 LEU MD2 6.500 . 6.500 6.060 6.003 6.148 . 0 0 "[ . 1]" 3
372 1 12 LEU HA 1 12 LEU MD2 4.000 . 4.000 1.929 1.871 2.031 . 0 0 "[ . 1]" 3
373 1 9 ILE HA 1 12 LEU MD2 5.500 . 5.500 3.955 3.494 4.266 . 0 0 "[ . 1]" 3
374 1 28 LEU HG 1 31 ILE MD 6.500 . 6.500 4.359 3.064 6.183 . 0 0 "[ . 1]" 3
375 1 27 LYS HA 1 27 LYS QG 3.500 . 3.500 2.571 2.386 2.905 . 0 0 "[ . 1]" 3
376 1 38 SER HA 1 38 SER QB . . 2.800 2.337 2.308 2.357 . 0 0 "[ . 1]" 3
377 1 22 LEU HA 1 22 LEU HG 4.500 . 4.500 2.413 2.363 2.453 . 0 0 "[ . 1]" 3
378 1 11 GLN HA 1 14 ILE HB 4.500 . 4.500 2.849 2.036 3.363 . 0 0 "[ . 1]" 3
379 1 32 GLY QA 1 33 SER HA 4.500 . 4.500 4.008 3.997 4.020 . 0 0 "[ . 1]" 3
380 1 41 GLY QA 1 44 LYS QE 5.500 . 5.500 5.251 4.733 5.627 0.127 5 0 "[ . 1]" 3
381 1 40 LYS QG 1 41 GLY QA 4.500 . 4.500 3.116 2.949 3.203 . 0 0 "[ . 1]" 3
382 1 8 SER QB 1 12 LEU H 6.000 . 6.000 4.263 3.314 5.255 . 0 0 "[ . 1]" 3
383 1 8 SER QB 1 11 GLN H . . 5.000 3.225 2.743 4.011 . 0 0 "[ . 1]" 3
384 1 8 SER QB 1 11 GLN QE 6.500 . 6.500 3.436 2.439 4.396 . 0 0 "[ . 1]" 3
385 1 8 SER QB 1 10 TRP QB 6.500 . 6.500 3.119 2.428 4.368 . 0 0 "[ . 1]" 3
386 1 9 ILE HB 1 10 TRP HA 5.500 . 5.500 4.186 4.039 4.302 . 0 0 "[ . 1]" 3
387 1 8 SER QB 1 9 ILE HB . . 4.500 5.017 3.949 5.860 1.360 6 5 "[ ***.+- 1]" 3
388 1 10 TRP HA 1 12 LEU H 5.500 . 5.500 4.128 3.991 4.187 . 0 0 "[ . 1]" 3
389 1 9 ILE HB 1 10 TRP QB 5.000 . 5.000 4.168 3.895 4.405 . 0 0 "[ . 1]" 3
390 1 10 TRP H 1 11 GLN HA 6.500 . 6.500 5.540 5.475 5.633 . 0 0 "[ . 1]" 3
391 1 11 GLN HA 1 11 GLN QE 5.500 . 5.500 4.789 4.301 4.974 . 0 0 "[ . 1]" 3
392 1 10 TRP QB 1 11 GLN HA 6.500 . 6.500 3.766 3.685 3.868 . 0 0 "[ . 1]" 3
393 1 11 GLN HA 1 12 LEU HA 4.500 . 4.500 4.834 4.812 4.862 0.362 10 0 "[ . 1]" 3
394 1 11 GLN HA 1 14 ILE HA 6.500 . 7.000 5.237 4.863 5.501 . 0 0 "[ . 1]" 3
395 1 11 GLN HA 1 14 ILE QG 5.500 . 5.500 3.205 2.296 4.134 . 0 0 "[ . 1]" 3
396 1 11 GLN HA 1 12 LEU QB 5.500 . 5.500 5.182 5.111 5.228 . 0 0 "[ . 1]" 3
397 1 11 GLN HA 1 15 ILE QG 6.500 . 6.500 4.396 3.932 4.941 . 0 0 "[ . 1]" 3
398 1 11 GLN QG 1 12 LEU H 6.500 . 6.500 4.212 4.063 4.366 . 0 0 "[ . 1]" 3
399 1 9 ILE HA 1 12 LEU HA 6.500 . 7.000 4.974 4.812 5.189 . 0 0 "[ . 1]" 3
400 1 9 ILE MG 1 13 LEU QD 3.500 . 4.000 3.145 2.808 3.598 . 0 0 "[ . 1]" 3
401 1 11 GLN H 1 12 LEU MD2 6.500 . 6.500 4.314 3.968 5.078 . 0 0 "[ . 1]" 3
402 1 10 TRP HA 1 13 LEU HA 5.500 . 6.000 6.111 5.965 6.365 0.365 7 0 "[ . 1]" 3
403 1 13 LEU HA 1 16 ALA HA 5.500 . 5.500 5.524 5.345 5.620 0.120 9 0 "[ . 1]" 3
404 1 13 LEU HA 1 14 ILE HA 5.500 . 5.500 4.848 4.824 4.892 . 0 0 "[ . 1]" 3
405 1 13 LEU QB 1 14 ILE HA . . 4.500 3.670 3.639 3.709 . 0 0 "[ . 1]" 3
406 1 10 TRP QB 1 13 LEU QB 5.500 . 5.500 4.963 4.842 5.142 . 0 0 "[ . 1]" 3
407 1 10 TRP HA 1 13 LEU HG . . 4.500 5.149 4.835 5.638 1.138 7 8 "[***-* + **]" 3
408 1 10 TRP HH2 1 13 LEU QD 5.500 . 6.000 7.177 6.460 7.871 1.871 7 8 "[**- .*+***]" 3
409 1 10 TRP H 1 13 LEU QD 6.500 . 6.500 5.499 5.223 5.819 . 0 0 "[ . 1]" 3
410 1 13 LEU QD 1 14 ILE HA 5.500 . 5.500 4.304 4.060 4.494 . 0 0 "[ . 1]" 3
411 1 13 LEU QD 1 16 ALA MB 4.500 . 4.500 2.944 2.736 3.078 . 0 0 "[ . 1]" 3
412 1 13 LEU QD 1 14 ILE QG 5.500 . 6.000 4.640 4.277 5.334 . 0 0 "[ . 1]" 3
413 1 13 LEU QD 1 17 VAL QG 4.500 . 4.500 1.953 1.855 2.049 . 0 0 "[ . 1]" 3
414 1 38 SER HA 1 39 ILE HB . . 5.500 5.652 5.552 5.780 0.280 5 0 "[ . 1]" 3
415 1 35 LEU HA 1 39 ILE HB 6.500 . 6.500 4.801 4.597 5.094 . 0 0 "[ . 1]" 3
416 1 39 ILE HB 1 42 PHE QB 6.500 . 6.500 5.541 4.635 6.636 0.136 5 0 "[ . 1]" 3
417 1 39 ILE HB 1 40 LYS QB 4.500 . 4.500 5.330 4.835 5.602 1.102 5 9 "[*** +****-]" 3
418 1 43 LYS QG 1 47 SER QB 5.500 . 6.000 4.031 3.067 5.492 . 0 0 "[ . 1]" 3
419 1 14 ILE HA 1 16 ALA H 6.500 . 6.500 4.678 4.619 4.769 . 0 0 "[ . 1]" 3
420 1 14 ILE HA 1 18 ILE H 5.500 . 5.500 4.421 4.189 4.624 . 0 0 "[ . 1]" 3
421 1 14 ILE HA 1 15 ILE H 5.500 . 5.500 3.586 3.577 3.595 . 0 0 "[ . 1]" 3
422 1 14 ILE HA 1 16 ALA MB 5.500 . 5.500 5.268 5.187 5.336 . 0 0 "[ . 1]" 3
423 1 12 LEU HA 1 14 ILE HB 6.000 . 6.000 4.802 4.656 4.928 . 0 0 "[ . 1]" 3
424 1 11 GLN QB 1 14 ILE HB 5.500 . 6.000 3.951 3.654 4.179 . 0 0 "[ . 1]" 3
425 1 13 LEU QB 1 14 ILE HB 5.500 . 5.500 4.680 4.379 4.958 . 0 0 "[ . 1]" 3
426 1 14 ILE HB 1 16 ALA MB 6.500 . 6.500 6.029 5.896 6.151 . 0 0 "[ . 1]" 3
427 1 14 ILE QG 1 17 VAL QG . . 4.500 4.394 4.154 4.625 0.125 4 0 "[ . 1]" 3
428 1 14 ILE MD 1 16 ALA H 6.000 . 6.000 6.085 5.693 6.397 0.397 5 0 "[ . 1]" 3
429 1 10 TRP HA 1 14 ILE MD 4.500 . 4.500 4.436 3.629 5.338 0.838 6 2 "[ -.+ 1]" 3
430 1 12 LEU HA 1 14 ILE MD 5.500 . 6.000 5.828 5.386 6.051 0.051 7 0 "[ . 1]" 3
431 1 11 GLN QB 1 14 ILE MD 5.500 . 5.500 3.824 2.964 4.736 . 0 0 "[ . 1]" 3
432 1 14 ILE MG 1 18 ILE H 5.500 . 5.500 3.616 3.420 3.842 . 0 0 "[ . 1]" 3
433 1 18 ILE HA 1 18 ILE QG 3.500 . 3.500 2.431 2.397 2.482 . 0 0 "[ . 1]" 3
434 1 18 ILE HA 1 22 LEU HG 6.500 . 7.000 6.077 5.822 6.239 . 0 0 "[ . 1]" 3
435 1 18 ILE HA 1 21 LEU QB 4.500 . 4.500 4.695 4.541 4.883 0.383 3 0 "[ . 1]" 3
436 1 15 ILE HB 1 19 VAL H 7.000 . 7.000 5.709 5.594 5.852 . 0 0 "[ . 1]" 3
437 1 12 LEU H 1 15 ILE HB 5.500 . 5.500 5.301 5.225 5.498 . 0 0 "[ . 1]" 3
438 1 12 LEU QB 1 15 ILE HB 5.500 . 5.500 5.752 5.541 6.072 0.572 6 1 "[ .+ 1]" 3
439 1 15 ILE HB 1 16 ALA MB 4.500 . 4.500 3.922 3.884 3.968 . 0 0 "[ . 1]" 3
440 1 12 LEU HA 1 15 ILE MG 3.500 . 4.000 5.335 5.210 5.550 1.550 6 10 [*****+***-] 3
441 1 16 ALA HA 1 17 VAL HA 6.500 . 6.500 4.849 4.834 4.862 . 0 0 "[ . 1]" 3
442 1 17 VAL HA 1 21 LEU HG 6.500 . 6.500 6.635 6.421 6.991 0.491 9 0 "[ . 1]" 3
443 1 17 VAL HA 1 18 ILE QG 6.500 . 6.500 5.071 5.012 5.155 . 0 0 "[ . 1]" 3
444 1 17 VAL QG 1 18 ILE HA 4.500 . 4.500 2.998 2.934 3.090 . 0 0 "[ . 1]" 3
445 1 18 ILE HB 1 19 VAL HA 6.500 . 6.500 4.285 4.210 4.393 . 0 0 "[ . 1]" 3
446 1 18 ILE HB 1 19 VAL QG 6.500 . 6.500 3.889 3.687 4.150 . 0 0 "[ . 1]" 3
447 1 20 VAL HB 1 21 LEU HA 5.500 . 5.500 4.234 4.144 4.333 . 0 0 "[ . 1]" 3
448 1 16 ALA MB 1 20 VAL HB 5.500 . 6.000 3.902 3.850 3.965 . 0 0 "[ . 1]" 3
449 1 20 VAL HB 1 21 LEU HG 5.500 . 5.500 4.578 4.402 4.724 . 0 0 "[ . 1]" 3
450 1 18 ILE HA 1 21 LEU HA 6.000 . 6.000 6.266 6.129 6.455 0.455 3 0 "[ . 1]" 3
451 1 20 VAL QG 1 21 LEU HA 4.500 . 4.500 3.526 3.444 3.586 . 0 0 "[ . 1]" 3
452 1 20 VAL QG 1 21 LEU QB 4.500 . 4.500 3.928 3.843 4.007 . 0 0 "[ . 1]" 3
453 1 18 ILE HA 1 21 LEU HG 5.500 . 5.500 3.101 2.950 3.355 . 0 0 "[ . 1]" 3
454 1 19 VAL HA 1 21 LEU HG 5.500 . 5.500 4.538 4.438 4.663 . 0 0 "[ . 1]" 3
455 1 21 LEU HG 1 22 LEU QB 6.500 . 6.500 3.516 3.412 3.688 . 0 0 "[ . 1]" 3
456 1 21 LEU HG 1 22 LEU MD2 6.000 . 6.500 5.514 5.428 5.663 . 0 0 "[ . 1]" 3
457 1 17 VAL HA 1 21 LEU QD 5.500 . 6.000 4.533 4.437 4.660 . 0 0 "[ . 1]" 3
458 1 21 LEU QD 1 22 LEU HG 5.500 2.300 6.500 4.339 4.075 4.570 . 0 0 "[ . 1]" 3
459 1 18 ILE MD 1 21 LEU QD 6.500 . 6.500 3.943 3.878 4.004 . 0 0 "[ . 1]" 3
460 1 19 VAL HA 1 22 LEU QB 5.500 . 5.500 2.059 1.951 2.133 . 0 0 "[ . 1]" 3
461 1 18 ILE HB 1 22 LEU MD1 6.000 . 6.500 4.020 3.814 4.210 . 0 0 "[ . 1]" 3
462 1 26 LYS QB 1 26 LYS QD 3.500 . 3.500 2.228 2.101 2.375 . 0 0 "[ . 1]" 3
463 1 27 LYS HA 1 27 LYS QD 4.500 . 4.500 2.949 1.867 4.143 . 0 0 "[ . 1]" 3
464 1 27 LYS QB 1 27 LYS QE 3.500 . 3.500 2.913 2.048 3.789 0.289 10 0 "[ . 1]" 3
465 1 26 LYS QB 1 27 LYS QE 6.000 . 7.000 5.353 3.817 7.296 0.296 9 0 "[ . 1]" 3
466 1 30 SER HA 1 31 ILE HA 4.500 . 4.500 4.728 4.677 4.773 0.273 4 0 "[ . 1]" 3
467 1 30 SER HA 1 31 ILE HB 6.500 . 6.500 6.443 5.826 6.671 0.171 6 0 "[ . 1]" 3
468 1 30 SER HA 1 31 ILE QG 5.500 . 6.000 5.761 5.308 6.428 0.428 3 0 "[ . 1]" 3
469 1 30 SER HA 1 31 ILE MD 6.500 . 7.000 6.938 6.678 7.230 0.230 1 0 "[ . 1]" 3
470 1 30 SER QB 1 32 GLY H 5.500 . 5.500 4.372 4.088 4.729 . 0 0 "[ . 1]" 3
471 1 30 SER QB 1 31 ILE HA 4.500 . 4.500 3.783 3.697 3.957 . 0 0 "[ . 1]" 3
472 1 30 SER QB 1 31 ILE HB 5.000 . 5.000 4.760 3.742 5.178 0.178 6 0 "[ . 1]" 3
473 1 30 SER QB 1 31 ILE MD 5.500 . 5.500 5.349 5.153 5.878 0.378 1 0 "[ . 1]" 3
474 1 30 SER H 1 31 ILE HA 6.500 . 6.500 5.263 5.042 5.400 . 0 0 "[ . 1]" 3
475 1 27 LYS QD 1 31 ILE HB 6.500 . 7.000 4.257 3.477 4.876 . 0 0 "[ . 1]" 3
476 1 31 ILE HB 1 31 ILE MD 3.500 . 3.500 2.396 2.229 2.577 . 0 0 "[ . 1]" 3
477 1 28 LEU QB 1 31 ILE QG 6.500 . 6.500 4.305 3.504 6.223 . 0 0 "[ . 1]" 3
478 1 31 ILE QG 1 31 ILE MG 2.800 . 2.800 2.267 2.117 2.448 . 0 0 "[ . 1]" 3
479 1 11 GLN HA 1 14 ILE MG 5.500 . 6.000 4.031 3.234 4.333 . 0 0 "[ . 1]" 3
480 1 33 SER HA 1 36 GLY QA 5.500 . 5.500 3.372 3.144 3.513 . 0 0 "[ . 1]" 3
481 1 34 ASP QB 1 35 LEU H 4.500 . 4.500 2.386 2.223 2.580 . 0 0 "[ . 1]" 3
482 1 35 LEU HA 1 39 ILE H . . 4.500 4.109 3.990 4.200 . 0 0 "[ . 1]" 3
483 1 35 LEU HA 1 36 GLY QA . . 5.500 4.439 4.409 4.453 . 0 0 "[ . 1]" 3
484 1 35 LEU QB 1 38 SER QB 5.500 . 5.500 3.753 3.607 4.004 . 0 0 "[ . 1]" 3
485 1 35 LEU HG 1 36 GLY H 5.500 . 5.500 4.970 4.878 5.046 . 0 0 "[ . 1]" 3
486 1 35 LEU QD 1 36 GLY QA . . 5.500 4.724 4.580 4.816 . 0 0 "[ . 1]" 3
487 1 31 ILE HB 1 35 LEU QD 6.500 . 6.500 3.233 2.490 4.269 . 0 0 "[ . 1]" 3
488 1 31 ILE QG 1 35 LEU QD 5.500 . 6.000 3.082 1.856 4.049 . 0 0 "[ . 1]" 3
489 1 35 LEU QD 1 39 ILE QG 5.500 . 5.500 5.241 4.607 5.781 0.281 7 0 "[ . 1]" 3
490 1 35 LEU HA 1 36 GLY QA 4.500 . 4.500 3.751 3.744 3.757 . 0 0 "[ . 1]" 3
491 1 36 GLY QA 1 37 ALA MB 4.500 . 4.500 4.107 4.099 4.122 . 0 0 "[ . 1]" 3
492 1 37 ALA HA 1 40 LYS QE 5.500 . 5.500 2.352 2.153 2.581 . 0 0 "[ . 1]" 3
493 1 37 ALA HA 1 40 LYS QG 4.500 . 4.500 2.465 2.292 2.851 . 0 0 "[ . 1]" 3
494 1 37 ALA MB 1 40 LYS QG 5.000 . 5.000 3.542 3.413 3.714 . 0 0 "[ . 1]" 3
495 1 36 GLY QA 1 38 SER HA 6.500 . 6.500 5.963 5.929 6.023 . 0 0 "[ . 1]" 3
496 1 37 ALA MB 1 38 SER HA 4.500 . 4.500 3.824 3.776 3.860 . 0 0 "[ . 1]" 3
497 1 37 ALA MB 1 38 SER QB 4.500 . 4.500 4.351 4.264 4.500 0.000 3 0 "[ . 1]" 3
498 1 38 SER QB 1 39 ILE QG 5.500 . 5.500 5.289 4.997 5.434 . 0 0 "[ . 1]" 3
499 1 36 GLY H 1 39 ILE MD 5.500 . 6.000 5.865 4.788 6.852 0.852 3 2 "[ + . - 1]" 3
500 1 40 LYS HA 1 42 PHE QB 6.500 . 6.500 5.741 5.123 6.730 0.230 5 0 "[ . 1]" 3
501 1 42 PHE HA 1 43 LYS QG 6.000 . 6.000 6.444 5.246 6.706 0.706 8 9 "[*-**** +**]" 3
502 1 42 PHE HA 1 45 ALA HA 6.500 . 6.500 5.864 4.916 6.546 0.046 8 0 "[ . 1]" 3
503 1 42 PHE QB 1 44 LYS H 4.500 . 4.500 4.686 4.578 4.790 0.290 9 0 "[ . 1]" 3
504 1 42 PHE QB 1 43 LYS QD 5.500 . 5.500 5.159 4.362 5.607 0.107 7 0 "[ . 1]" 3
505 1 42 PHE H 1 43 LYS HA 5.500 . 5.500 5.197 5.002 5.299 . 0 0 "[ . 1]" 3
506 1 42 PHE QD 1 43 LYS HA 4.500 . 4.500 3.779 2.920 4.021 . 0 0 "[ . 1]" 3
507 1 43 LYS HA 1 44 LYS HA 4.500 . 4.500 4.712 4.618 4.775 0.275 4 0 "[ . 1]" 3
508 1 43 LYS HA 1 46 MET QG 4.500 . 4.500 4.141 2.141 4.986 0.486 5 0 "[ . 1]" 3
509 1 39 ILE MG 1 43 LYS HA 5.500 . 5.500 6.399 5.982 6.744 1.244 8 9 "[*** ***+*-]" 3
510 1 42 PHE QD 1 43 LYS QG 4.500 . 4.500 4.709 2.664 5.193 0.693 10 2 "[ -. +]" 3
511 1 41 GLY QA 1 45 ALA MB 4.500 . 4.500 5.077 4.624 5.497 0.997 10 5 "[* *- *+]" 3
512 1 45 ALA MB 1 46 MET QG 4.500 . 4.500 2.990 2.573 3.504 . 0 0 "[ . 1]" 3
513 1 44 LYS QD 1 45 ALA MB 5.500 . 5.500 5.831 5.129 6.002 0.502 9 1 "[ . +1]" 3
514 1 44 LYS QE 1 45 ALA MB 6.000 . 6.000 6.811 5.752 7.173 1.173 4 9 "[* *+**-***]" 3
515 1 43 LYS HA 1 46 MET HA 5.500 . 5.500 5.743 5.331 6.154 0.654 3 3 "[ + -* 1]" 3
516 1 45 ALA MB 1 46 MET HA 4.500 . 4.500 4.163 3.957 4.319 . 0 0 "[ . 1]" 3
517 1 42 PHE QD 1 46 MET QG 4.500 . 4.500 4.757 3.743 6.322 1.822 8 3 "[ - +*1]" 3
518 1 46 MET H 1 46 MET ME 5.500 . 5.500 4.209 3.214 5.110 . 0 0 "[ . 1]" 3
519 1 44 LYS HA 1 46 MET ME 6.500 . 7.000 6.648 5.611 7.844 0.844 1 2 "[+- . 1]" 3
520 1 47 SER HA 1 48 ASP QB 5.500 . 5.500 4.041 3.883 4.495 . 0 0 "[ . 1]" 3
521 1 43 LYS QG 1 47 SER HA 5.500 . 6.000 5.067 3.900 7.019 1.019 7 1 "[ . + 1]" 3
522 1 47 SER QB 1 48 ASP HA 5.500 . 5.500 4.406 3.963 5.445 . 0 0 "[ . 1]" 3
523 1 14 ILE MD 1 16 ALA MB 6.500 . 6.500 6.379 5.845 6.811 0.311 5 0 "[ . 1]" 3
524 1 29 GLY H 1 29 GLY QA . . 2.800 2.220 2.204 2.245 . 0 0 "[ . 1]" 3
525 1 27 LYS H 1 27 LYS QG . . 4.000 3.597 2.614 4.254 0.254 2 0 "[ . 1]" 3
526 1 35 LEU QB 1 36 GLY QA 4.500 . 4.500 3.765 3.730 3.820 . 0 0 "[ . 1]" 3
527 1 13 LEU HA 1 17 VAL HA 6.500 . 7.000 5.527 5.362 5.627 . 0 0 "[ . 1]" 3
528 1 21 LEU QB 1 22 LEU MD1 6.500 . 6.500 6.266 6.208 6.317 . 0 0 "[ . 1]" 3
529 1 14 ILE HA 1 18 ILE MG 6.500 . 6.500 6.595 6.437 6.722 0.222 8 0 "[ . 1]" 3
530 1 14 ILE HA 1 15 ILE MG 6.500 . 6.500 6.055 6.003 6.093 . 0 0 "[ . 1]" 3
531 1 20 VAL HA 1 21 LEU QD . . 6.000 4.918 4.807 5.047 . 0 0 "[ . 1]" 3
532 1 19 VAL HA 1 21 LEU QD 6.500 . 6.500 4.838 4.797 4.903 . 0 0 "[ . 1]" 3
533 1 13 LEU QB 1 14 ILE MG 5.500 . 6.000 5.104 4.989 5.210 . 0 0 "[ . 1]" 3
534 1 35 LEU QD 1 39 ILE H 6.500 . 6.500 4.691 4.295 5.116 . 0 0 "[ . 1]" 3
535 1 31 ILE MD 1 35 LEU QD 5.500 . 5.500 3.113 2.320 3.860 . 0 0 "[ . 1]" 3
536 1 33 SER QB 1 37 ALA MB . . 5.500 4.762 4.349 5.244 . 0 0 "[ . 1]" 3
537 1 9 ILE HA 1 12 LEU QD 5.500 . 5.500 3.605 3.363 3.795 . 0 0 "[ . 1]" 3
538 1 12 LEU HG 1 15 ILE MD 6.000 . 6.500 5.758 5.475 6.097 . 0 0 "[ . 1]" 3
539 1 12 LEU HA 1 15 ILE QG 5.500 . 5.500 3.721 3.453 3.892 . 0 0 "[ . 1]" 3
540 1 29 GLY QA 1 31 ILE QG 6.500 . 7.000 4.379 3.881 5.289 . 0 0 "[ . 1]" 3
541 1 10 TRP HA 1 11 GLN HA 5.500 . 5.500 4.691 4.664 4.734 . 0 0 "[ . 1]" 3
542 1 18 ILE MG 1 21 LEU H 5.500 . 5.500 4.613 4.466 4.754 . 0 0 "[ . 1]" 3
543 1 18 ILE MG 1 22 LEU H 5.500 . 5.500 3.985 3.845 4.167 . 0 0 "[ . 1]" 3
544 1 9 ILE QG 1 10 TRP H 6.500 . 7.000 3.935 3.750 4.108 . 0 0 "[ . 1]" 3
545 1 18 ILE QG 1 21 LEU QD 5.500 . 5.500 3.229 3.079 3.341 . 0 0 "[ . 1]" 3
546 1 19 VAL QG 1 20 VAL H . . 4.500 2.952 2.868 3.051 . 0 0 "[ . 1]" 3
547 1 19 VAL HA 1 21 LEU HG 6.000 . 7.000 4.779 4.657 4.917 . 0 0 "[ . 1]" 3
548 1 20 VAL HA 1 21 LEU HG 6.000 . 6.000 5.656 5.520 5.790 . 0 0 "[ . 1]" 3
549 1 36 GLY QA 1 39 ILE HA 6.500 . 6.500 5.169 4.887 5.499 . 0 0 "[ . 1]" 3
550 1 16 ALA MB 1 19 VAL QG 5.000 . 5.000 3.699 3.606 3.778 . 0 0 "[ . 1]" 3
551 1 18 ILE QG 1 21 LEU QB 6.500 . 6.500 6.045 5.874 6.190 . 0 0 "[ . 1]" 3
552 1 15 ILE QG 1 16 ALA MB . . 5.500 4.945 4.823 5.017 . 0 0 "[ . 1]" 3
553 1 20 VAL HA 1 21 LEU QB 5.500 . 5.500 5.455 5.402 5.499 . 0 0 "[ . 1]" 3
554 1 16 ALA MB 1 20 VAL HA 6.500 . 6.500 6.502 6.328 6.774 0.274 9 0 "[ . 1]" 3
555 1 19 VAL HA 1 21 LEU QB 6.500 . 6.500 6.325 6.230 6.403 . 0 0 "[ . 1]" 3
556 1 15 ILE H 1 17 VAL QG 6.500 . 6.500 5.094 4.986 5.264 . 0 0 "[ . 1]" 3
557 1 18 ILE H 1 20 VAL QG 6.500 . 6.500 4.422 4.359 4.496 . 0 0 "[ . 1]" 3
558 1 18 ILE H 1 19 VAL QG . . 5.500 4.507 4.438 4.661 . 0 0 "[ . 1]" 3
559 1 11 GLN QB 1 15 ILE MD 5.500 . 5.500 3.501 3.029 4.146 . 0 0 "[ . 1]" 3
560 1 17 VAL HB 1 18 ILE MD 5.500 . 5.500 4.809 4.685 4.904 . 0 0 "[ . 1]" 3
561 1 15 ILE MD 1 16 ALA HA 6.500 . 6.500 5.611 5.473 5.707 . 0 0 "[ . 1]" 3
562 1 11 GLN HA 1 15 ILE MD . . 5.000 4.908 4.559 5.512 0.512 6 1 "[ .+ 1]" 3
563 1 12 LEU H 1 15 ILE MD 5.500 . 5.500 4.911 4.636 5.213 . 0 0 "[ . 1]" 3
564 1 14 ILE H 1 15 ILE MD 5.500 . 5.500 5.232 5.147 5.305 . 0 0 "[ . 1]" 3
565 1 13 LEU H 1 15 ILE MD 5.500 . 6.000 5.685 5.474 5.854 . 0 0 "[ . 1]" 3
566 1 15 ILE MD 1 16 ALA H 4.500 . 4.500 4.219 4.066 4.340 . 0 0 "[ . 1]" 3
567 1 14 ILE MD 1 15 ILE HA 5.500 . 5.500 5.926 5.772 6.070 0.570 7 5 "[-* . +* *]" 3
568 1 10 TRP HZ2 1 14 ILE MD 6.500 . 7.000 5.522 4.679 6.691 . 0 0 "[ . 1]" 3
569 1 13 LEU QB 1 14 ILE MD 4.500 . 4.500 3.801 2.669 4.720 0.220 6 0 "[ . 1]" 3
570 1 15 ILE HA 1 19 VAL QG 6.000 . 6.000 4.654 4.478 4.888 . 0 0 "[ . 1]" 3
571 1 20 VAL QG 1 21 LEU HG 5.500 . 5.500 4.757 4.635 4.862 . 0 0 "[ . 1]" 3
572 1 19 VAL HB 1 22 LEU MD1 6.000 . 7.000 4.705 4.518 4.797 . 0 0 "[ . 1]" 3
573 1 18 ILE HA 1 22 LEU MD1 6.000 . 6.500 5.134 5.023 5.229 . 0 0 "[ . 1]" 3
574 1 19 VAL QG 1 22 LEU MD1 5.500 . 5.500 2.632 2.455 2.780 . 0 0 "[ . 1]" 3
575 1 31 ILE HB 1 32 GLY QA 4.500 . 4.500 4.764 4.418 5.197 0.697 3 3 "[* + . - 1]" 3
576 1 32 GLY QA 1 35 LEU QB . . 4.500 3.206 3.043 3.411 . 0 0 "[ . 1]" 3
577 1 31 ILE QG 1 32 GLY QA 5.500 . 5.500 2.952 2.725 3.549 . 0 0 "[ . 1]" 3
578 1 12 LEU QB 1 12 LEU MD2 2.800 . 2.800 2.488 2.372 2.624 . 0 0 "[ . 1]" 3
579 1 12 LEU MD1 1 16 ALA H 5.500 . 6.000 4.672 4.186 4.973 . 0 0 "[ . 1]" 3
580 1 12 LEU MD1 1 15 ILE H 6.500 . 6.500 5.438 5.034 5.702 . 0 0 "[ . 1]" 3
581 1 10 TRP H 1 13 LEU QD 5.500 . 6.500 5.027 4.825 5.386 . 0 0 "[ . 1]" 3
582 1 10 TRP HZ2 1 13 LEU QD 6.500 . 7.000 6.900 6.609 7.647 0.647 7 1 "[ . + 1]" 3
583 1 11 GLN H 1 12 LEU MD1 6.500 . 6.500 6.320 6.195 6.491 . 0 0 "[ . 1]" 3
584 1 12 LEU MD1 1 13 LEU HA 5.500 . 5.500 4.911 4.211 5.240 . 0 0 "[ . 1]" 3
585 1 10 TRP QB 1 13 LEU QD . . 4.500 5.425 5.235 5.745 1.245 7 10 [*****-+***] 3
586 1 12 LEU MD1 1 15 ILE HB 5.500 . 5.500 4.659 4.443 4.990 . 0 0 "[ . 1]" 3
587 1 12 LEU MD1 1 16 ALA MB 4.500 . 5.000 3.653 3.236 3.867 . 0 0 "[ . 1]" 3
588 1 9 ILE QG 1 12 LEU MD1 6.000 . 6.500 5.724 5.199 6.075 . 0 0 "[ . 1]" 3
589 1 9 ILE QG 1 13 LEU QD 6.500 . 6.500 5.567 5.239 5.984 . 0 0 "[ . 1]" 3
590 1 14 ILE H 1 15 ILE MG 6.500 . 6.500 6.181 6.123 6.211 . 0 0 "[ . 1]" 3
591 1 12 LEU H 1 15 ILE MG 6.500 . 6.500 7.264 7.112 7.582 1.082 6 10 [*****+***-] 3
592 1 13 LEU H 1 15 ILE MG 6.500 . 6.500 7.208 7.113 7.325 0.825 6 10 [*****+***-] 3
593 1 15 ILE MG 1 17 VAL H 6.500 . 6.500 5.206 5.139 5.274 . 0 0 "[ . 1]" 3
594 1 15 ILE MG 1 19 VAL HB 5.500 . 5.500 4.626 4.421 4.764 . 0 0 "[ . 1]" 3
595 1 15 ILE MG 1 17 VAL HB 6.500 . 6.500 6.339 6.226 6.445 . 0 0 "[ . 1]" 3
596 1 17 VAL HB 1 18 ILE MG 5.500 . 5.500 5.735 5.615 5.807 0.307 4 0 "[ . 1]" 3
597 1 18 ILE MG 1 19 VAL HB . . 6.000 5.097 4.918 5.238 . 0 0 "[ . 1]" 3
598 1 18 ILE MG 1 22 LEU QB 6.500 . 7.000 2.843 2.638 2.985 . 0 0 "[ . 1]" 3
599 1 12 LEU HG 1 15 ILE MG 6.000 . 6.500 7.990 7.880 8.182 1.682 7 10 [*****-+***] 3
600 1 14 ILE QG 1 18 ILE MG 6.500 . 6.500 7.116 6.535 7.526 1.026 6 6 "[ ***+ -*1]" 3
601 1 17 VAL HA 1 18 ILE MG 6.500 . 6.500 6.150 6.143 6.154 . 0 0 "[ . 1]" 3
602 1 14 ILE HA 1 15 ILE MD 6.500 . 6.500 6.238 6.188 6.299 . 0 0 "[ . 1]" 3
603 1 15 ILE HA 1 15 ILE MD 4.500 . 4.500 3.981 3.958 4.010 . 0 0 "[ . 1]" 3
604 1 15 ILE HA 1 18 ILE MD 5.000 . 5.000 2.382 2.270 2.495 . 0 0 "[ . 1]" 3
605 1 18 ILE MD 1 19 VAL HA 5.500 . 5.500 5.920 5.854 5.970 0.470 5 0 "[ . 1]" 3
606 1 14 ILE HA 1 18 ILE MD 5.500 . 5.500 4.446 4.284 4.580 . 0 0 "[ . 1]" 3
607 1 17 VAL HA 1 18 ILE MD 6.500 . 6.500 6.379 6.333 6.407 . 0 0 "[ . 1]" 3
608 1 12 LEU QB 1 15 ILE MD 5.500 . 5.500 4.892 4.629 5.096 . 0 0 "[ . 1]" 3
609 1 15 ILE MD 1 16 ALA MB 5.500 . 5.500 4.907 4.749 5.021 . 0 0 "[ . 1]" 3
610 1 14 ILE QG 1 15 ILE MD 6.000 . 6.000 5.781 5.491 6.066 0.066 10 0 "[ . 1]" 3
611 1 17 VAL H 1 18 ILE MD 5.500 . 5.500 5.127 5.087 5.163 . 0 0 "[ . 1]" 3
612 1 18 ILE HA 1 19 VAL H 4.500 . 4.500 3.476 3.455 3.490 . 0 0 "[ . 1]" 3
613 1 15 ILE HA 1 19 VAL H 6.500 . 6.500 4.476 4.367 4.580 . 0 0 "[ . 1]" 3
614 1 13 LEU H 1 15 ILE HA 6.500 . 6.500 7.331 7.208 7.447 0.947 9 10 [******-*+*] 3
615 1 15 ILE HA 1 17 VAL H 5.500 . 5.500 4.310 4.251 4.386 . 0 0 "[ . 1]" 3
616 1 17 VAL H 1 18 ILE HA 5.500 . 5.500 5.295 5.259 5.333 . 0 0 "[ . 1]" 3
617 1 14 ILE H 1 15 ILE HA 5.500 . 5.500 5.498 5.454 5.539 0.039 6 0 "[ . 1]" 3
618 1 12 LEU HA 1 15 ILE HA 5.500 . 5.500 6.283 6.196 6.432 0.932 6 10 [*****+*-**] 3
619 1 15 ILE HA 1 16 ALA HA 5.500 . 5.500 4.793 4.778 4.807 . 0 0 "[ . 1]" 3
620 1 14 ILE HA 1 15 ILE HA 5.500 . 5.500 4.703 4.667 4.731 . 0 0 "[ . 1]" 3
621 1 17 VAL HA 1 18 ILE HA 5.500 . 5.500 4.799 4.778 4.811 . 0 0 "[ . 1]" 3
622 1 18 ILE HA 1 19 VAL HA 5.500 . 5.500 4.826 4.803 4.845 . 0 0 "[ . 1]" 3
623 1 17 VAL HB 1 18 ILE HA 5.500 . 5.500 4.619 4.501 4.708 . 0 0 "[ . 1]" 3
624 1 15 ILE HA 1 17 VAL HB 6.500 . 6.500 5.130 5.008 5.252 . 0 0 "[ . 1]" 3
625 1 11 GLN QB 1 15 ILE HA 6.500 . 6.500 6.819 6.475 7.217 0.717 6 3 "[ -.+ * 1]" 3
626 1 17 VAL HA 1 19 VAL H 5.500 . 5.500 4.087 3.946 4.194 . 0 0 "[ . 1]" 3
627 1 17 VAL HA 1 18 ILE HB 6.500 . 6.500 5.846 5.803 5.891 . 0 0 "[ . 1]" 3
628 1 17 VAL H 1 18 ILE QG 5.500 . 5.500 4.187 4.019 4.311 . 0 0 "[ . 1]" 3
629 1 13 LEU H 1 15 ILE QG 6.500 . 7.000 5.352 5.160 5.611 . 0 0 "[ . 1]" 3
630 1 15 ILE QG 1 17 VAL H 6.500 . 6.500 5.325 5.219 5.423 . 0 0 "[ . 1]" 3
631 1 12 LEU H 1 15 ILE QG 5.500 . 6.000 3.951 3.854 4.026 . 0 0 "[ . 1]" 3
632 1 14 ILE HA 1 18 ILE QG 5.500 . 5.500 4.055 3.895 4.178 . 0 0 "[ . 1]" 3
633 1 18 ILE QG 1 19 VAL HA 5.500 . 5.500 5.776 5.751 5.803 0.303 5 0 "[ . 1]" 3
634 1 14 ILE HA 1 15 ILE QG 6.500 . 6.500 4.792 4.738 4.854 . 0 0 "[ . 1]" 3
635 1 18 ILE QG 1 19 VAL HB 6.000 . 6.000 5.843 5.764 5.935 . 0 0 "[ . 1]" 3
636 1 17 VAL HB 1 18 ILE QG 5.500 . 5.500 3.452 3.294 3.563 . 0 0 "[ . 1]" 3
637 1 14 ILE MD 1 15 ILE QG 5.500 . 5.500 4.529 4.149 4.995 . 0 0 "[ . 1]" 3
638 1 14 ILE MG 1 15 ILE QG 5.500 . 5.500 2.906 2.251 3.382 . 0 0 "[ . 1]" 3
639 1 14 ILE MG 1 18 ILE QG . . 4.500 3.269 3.003 3.649 . 0 0 "[ . 1]" 3
640 1 14 ILE MD 1 18 ILE QG 6.500 . 6.500 5.794 5.535 6.265 . 0 0 "[ . 1]" 3
641 1 8 SER QB 1 12 LEU HG 6.000 . 7.000 5.539 4.081 6.514 . 0 0 "[ . 1]" 3
642 1 8 SER QB 1 12 LEU QB 5.500 . 5.500 4.782 4.048 5.497 . 0 0 "[ . 1]" 3
643 1 8 SER QB 1 11 GLN QB 6.500 . 6.500 3.825 2.483 5.324 . 0 0 "[ . 1]" 3
644 1 8 SER QB 1 9 ILE QG 6.500 . 6.500 4.650 3.677 5.243 . 0 0 "[ . 1]" 3
645 1 11 GLN HA 1 15 ILE H 6.500 . 6.500 4.514 4.109 4.943 . 0 0 "[ . 1]" 3
646 1 11 GLN HA 1 12 LEU MD1 6.500 . 6.500 6.626 6.353 6.844 0.344 8 0 "[ . 1]" 3
647 1 11 GLN HA 1 15 ILE MG 6.500 . 6.500 6.893 6.480 7.344 0.844 6 4 "[ *.+ *-1]" 3
648 1 12 LEU QB 1 15 ILE H 5.500 . 5.500 5.327 5.128 5.444 . 0 0 "[ . 1]" 3
649 1 11 GLN H 1 12 LEU QB 6.500 . 6.500 4.230 4.164 4.321 . 0 0 "[ . 1]" 3
650 1 9 ILE MG 1 12 LEU QB . . 4.500 3.138 2.915 3.579 . 0 0 "[ . 1]" 3
651 1 10 TRP HE3 1 13 LEU QB 5.500 . 5.500 5.349 4.575 6.041 0.541 7 1 "[ . + 1]" 3
652 1 13 LEU QB 1 17 VAL QG 5.500 . 5.500 3.264 3.001 3.515 . 0 0 "[ . 1]" 3
653 1 13 LEU HA 1 15 ILE H 5.500 . 5.500 4.754 4.500 4.932 . 0 0 "[ . 1]" 3
654 1 12 LEU H 1 13 LEU HA 5.500 . 5.500 5.278 5.200 5.325 . 0 0 "[ . 1]" 3
655 1 13 LEU HA 1 17 VAL QG 4.500 . 4.500 3.474 3.411 3.582 . 0 0 "[ . 1]" 3
656 1 13 LEU HA 1 14 ILE QG 6.500 . 6.500 5.592 5.028 6.324 . 0 0 "[ . 1]" 3
657 1 13 LEU HA 1 14 ILE MD 5.500 . 6.000 5.696 4.742 6.452 0.452 9 0 "[ . 1]" 3
658 1 13 LEU HA 1 14 ILE MG 6.500 . 6.500 6.082 5.918 6.161 . 0 0 "[ . 1]" 3
659 1 12 LEU MD1 1 13 LEU H 4.500 . 4.500 4.586 4.248 4.758 0.258 8 0 "[ . 1]" 3
660 1 16 ALA HA 1 18 ILE H 6.500 . 6.500 4.523 4.393 4.589 . 0 0 "[ . 1]" 3
661 1 15 ILE H 1 16 ALA HA 6.500 . 6.500 5.237 5.132 5.298 . 0 0 "[ . 1]" 3
662 1 16 ALA HA 1 19 VAL HA 5.500 . 5.500 5.267 5.173 5.377 . 0 0 "[ . 1]" 3
663 1 15 ILE HB 1 16 ALA HA 6.500 . 6.500 3.968 3.866 4.014 . 0 0 "[ . 1]" 3
664 1 15 ILE QG 1 16 ALA HA 6.500 . 6.500 5.599 5.517 5.639 . 0 0 "[ . 1]" 3
665 1 12 LEU MD2 1 16 ALA HA 6.500 . 7.000 6.933 6.632 7.371 0.371 7 0 "[ . 1]" 3
666 1 16 ALA HA 1 18 ILE MG 6.500 . 6.500 6.232 6.151 6.320 . 0 0 "[ . 1]" 3
667 1 13 LEU H 1 16 ALA MB 4.500 . 4.500 4.608 4.491 4.712 0.212 6 0 "[ . 1]" 3
668 1 14 ILE H 1 16 ALA MB 5.500 . 5.500 4.794 4.691 4.876 . 0 0 "[ . 1]" 3
669 1 12 LEU H 1 16 ALA MB 6.500 . 6.500 6.054 5.898 6.250 . 0 0 "[ . 1]" 3
670 1 15 ILE HA 1 16 ALA MB 6.500 . 6.500 5.024 5.019 5.034 . 0 0 "[ . 1]" 3
671 1 16 ALA MB 1 19 VAL HA 6.500 . 6.500 6.253 6.174 6.343 . 0 0 "[ . 1]" 3
672 1 16 ALA MB 1 17 VAL HB 5.500 . 5.500 4.468 4.370 4.549 . 0 0 "[ . 1]" 3
673 1 12 LEU QB 1 16 ALA MB 5.500 . 5.500 4.062 3.757 4.428 . 0 0 "[ . 1]" 3
674 1 13 LEU HG 1 16 ALA MB 5.500 . 5.500 4.735 4.526 4.898 . 0 0 "[ . 1]" 3
675 1 16 ALA MB 1 17 VAL QG 4.500 . 4.500 3.387 3.323 3.445 . 0 0 "[ . 1]" 3
676 1 16 ALA MB 1 20 VAL QG 5.000 . 5.000 4.030 3.848 4.301 . 0 0 "[ . 1]" 3
677 1 17 VAL QG 1 20 VAL H 6.500 . 6.500 4.130 4.045 4.207 . 0 0 "[ . 1]" 3
678 1 18 ILE HA 1 20 VAL QG 6.500 . 6.500 4.640 4.589 4.746 . 0 0 "[ . 1]" 3
679 1 18 ILE HA 1 19 VAL QG 6.500 . 6.500 5.052 5.005 5.104 . 0 0 "[ . 1]" 3
680 1 15 ILE HA 1 17 VAL QG 6.000 . 6.000 5.198 5.085 5.255 . 0 0 "[ . 1]" 3
681 1 17 VAL QG 1 18 ILE HB 6.500 . 6.500 4.599 4.532 4.698 . 0 0 "[ . 1]" 3
682 1 21 LEU QD 1 22 LEU QB 6.000 . 6.000 3.914 3.739 4.080 . 0 0 "[ . 1]" 3
683 1 18 ILE MG 1 22 LEU QB 6.000 . 6.000 3.050 2.842 3.232 . 0 0 "[ . 1]" 3
684 1 19 VAL H 1 22 LEU MD1 6.000 . 6.500 4.301 4.156 4.413 . 0 0 "[ . 1]" 3
685 1 18 ILE QG 1 22 LEU MD1 6.500 . 7.000 4.551 4.472 4.635 . 0 0 "[ . 1]" 3
686 1 30 SER HA 1 31 ILE MG 5.500 . 6.000 4.795 4.572 5.060 . 0 0 "[ . 1]" 3
687 1 9 ILE MG 1 12 LEU HA 6.500 . 6.500 5.616 5.410 6.078 . 0 0 "[ . 1]" 3
688 1 9 ILE MG 1 13 LEU HA 6.000 . 6.000 4.406 4.080 4.790 . 0 0 "[ . 1]" 3
689 1 9 ILE MD 1 10 TRP H 6.500 2.800 6.500 4.613 4.508 4.702 . 0 0 "[ . 1]" 3
690 1 21 LEU HA 1 22 LEU QB 6.500 . 6.500 5.077 5.060 5.098 . 0 0 "[ . 1]" 3
691 1 36 GLY QA 1 39 ILE MG 4.500 . 4.500 2.729 2.148 3.252 . 0 0 "[ . 1]" 3
692 1 12 LEU HA 1 12 LEU HG 4.500 . 4.500 3.632 3.593 3.662 . 0 0 "[ . 1]" 3
693 1 38 SER HA 1 39 ILE MD 5.500 . 5.500 5.814 5.156 7.134 1.634 5 2 "[ - + 1]" 3
694 1 38 SER HA 1 39 ILE MG 6.000 . 6.000 5.457 5.234 5.785 . 0 0 "[ . 1]" 3
695 1 14 ILE QG 1 14 ILE MG 2.800 . 2.800 2.202 2.078 2.324 . 0 0 "[ . 1]" 3
696 1 35 LEU HG 1 38 SER H 6.500 . 6.500 5.189 4.914 5.497 . 0 0 "[ . 1]" 3
697 1 37 ALA MB 1 39 ILE H 4.500 . 4.500 4.488 4.290 4.682 0.182 5 0 "[ . 1]" 3
698 1 35 LEU HG 1 36 GLY QA 5.500 . 5.500 5.943 5.775 6.030 0.530 10 4 "[ * -* +]" 3
699 1 9 ILE HB 1 12 LEU HG 6.000 . 7.000 4.899 4.736 5.055 . 0 0 "[ . 1]" 3
700 1 29 GLY QA 1 31 ILE HA 6.500 . 6.500 6.537 6.323 6.777 0.277 7 0 "[ . 1]" 3
701 1 31 ILE HA 1 32 GLY QA 5.500 . 5.500 4.468 4.445 4.497 . 0 0 "[ . 1]" 3
702 1 38 SER HA 1 39 ILE HA 5.500 . 5.500 4.774 4.747 4.827 . 0 0 "[ . 1]" 3
703 1 42 PHE QB 1 43 LYS QB 4.500 . 4.500 4.531 4.255 4.860 0.360 5 0 "[ . 1]" 3
704 1 39 ILE HB 1 39 ILE MD 3.500 . 3.500 2.332 2.279 2.404 . 0 0 "[ . 1]" 3
705 1 39 ILE QG 1 43 LYS H 4.500 . 6.000 4.387 3.590 5.157 . 0 0 "[ . 1]" 3
706 1 34 ASP QB 1 35 LEU HA 5.500 . 5.500 3.852 3.745 4.031 . 0 0 "[ . 1]" 3
707 1 32 GLY H 1 35 LEU QD 6.000 . 6.500 5.013 4.794 5.304 . 0 0 "[ . 1]" 3
708 1 39 ILE MD 1 40 LYS HA 5.500 . 5.500 5.693 5.334 5.925 0.425 4 0 "[ . 1]" 3
709 1 16 ALA HA 1 20 VAL HA 6.000 . 6.000 6.850 6.682 7.143 1.143 9 10 [*****-**+*] 3
710 1 10 TRP QB 1 13 LEU HG 6.000 . 6.500 6.862 6.576 7.228 0.728 7 3 "[ * . + -1]" 3
711 1 8 SER H 1 10 TRP QB 6.500 . 6.500 5.545 4.135 6.602 0.102 6 0 "[ . 1]" 3
712 1 32 GLY QA 1 35 LEU QD . . 4.500 4.014 3.830 4.259 . 0 0 "[ . 1]" 3
713 1 15 ILE HB 1 15 ILE MD 3.500 . 3.500 2.347 2.328 2.381 . 0 0 "[ . 1]" 3
714 1 14 ILE H 1 14 ILE MG 4.500 . 4.500 3.705 3.565 3.777 . 0 0 "[ . 1]" 3
715 1 14 ILE MG 1 15 ILE H 3.500 . 3.500 2.872 2.473 3.213 . 0 0 "[ . 1]" 3
716 1 28 LEU HA 1 31 ILE MG 5.500 . 5.500 3.677 2.763 4.296 . 0 0 "[ . 1]" 3
717 1 14 ILE MG 1 15 ILE HA 4.500 . 4.500 3.049 2.733 3.284 . 0 0 "[ . 1]" 3
718 1 14 ILE MG 1 18 ILE HA 6.000 . 6.000 5.874 5.507 6.308 0.308 7 0 "[ . 1]" 3
719 1 31 ILE MD 1 31 ILE MG 2.800 . 2.800 2.021 1.779 2.246 0.021 10 0 "[ . 1]" 3
720 1 40 LYS HA 1 40 LYS QG 3.500 . 3.500 3.344 3.323 3.362 . 0 0 "[ . 1]" 3
721 1 42 PHE QB 1 43 LYS QG 5.500 . 5.500 5.830 3.888 6.272 0.772 5 6 "[* *+ -**]" 3
722 1 40 LYS HA 1 44 LYS HA 5.500 . 5.500 5.856 5.547 6.043 0.543 2 3 "[ +- . * 1]" 3
723 1 8 SER QB 1 9 ILE HA 5.500 . 5.500 4.623 4.334 4.917 . 0 0 "[ . 1]" 3
724 1 12 LEU MD2 1 15 ILE H 6.000 . 6.000 5.085 4.864 5.359 . 0 0 "[ . 1]" 3
725 1 9 ILE MD 1 12 LEU H 6.000 . 6.000 4.978 4.838 5.159 . 0 0 "[ . 1]" 3
726 1 9 ILE QG 1 10 TRP HA 6.500 2.800 6.500 5.382 5.307 5.435 . 0 0 "[ . 1]" 3
727 1 39 ILE HA 1 40 LYS QG 6.000 . 6.000 5.326 5.247 5.398 . 0 0 "[ . 1]" 3
728 1 45 ALA MB 1 47 SER QB 5.500 . 5.500 6.035 5.596 6.433 0.933 2 7 "[*+**. -**]" 3
729 1 42 PHE HA 1 43 LYS HA 5.500 . 5.500 4.696 4.600 4.771 . 0 0 "[ . 1]" 3
730 1 18 ILE H 1 19 VAL HA 6.500 . 6.500 5.203 5.133 5.230 . 0 0 "[ . 1]" 3
731 1 12 LEU HG 1 16 ALA MB 5.500 . 6.000 6.008 5.844 6.125 0.125 10 0 "[ . 1]" 3
732 1 8 SER H 1 9 ILE QG 6.500 . 7.000 4.992 4.258 5.325 . 0 0 "[ . 1]" 3
733 1 33 SER HA 1 37 ALA MB 6.500 . 6.500 4.713 4.436 4.934 . 0 0 "[ . 1]" 3
734 1 39 ILE MD 1 40 LYS QB 5.500 . 5.500 6.037 5.558 6.162 0.662 8 9 [****.*-+**] 3
735 1 9 ILE MD 1 12 LEU HA 6.500 . 6.500 5.819 5.541 6.157 . 0 0 "[ . 1]" 3
736 1 8 SER QB 1 9 ILE MD 4.500 . 5.000 5.009 4.690 5.268 0.268 7 0 "[ . 1]" 3
737 1 8 SER QB 1 10 TRP HE1 6.500 . 7.000 7.419 6.206 9.179 2.179 6 4 "[ -**.+ 1]" 3
738 1 8 SER H 1 9 ILE MD 6.000 . 7.000 4.980 3.786 5.729 . 0 0 "[ . 1]" 3
739 1 9 ILE MD 1 13 LEU H 5.500 . 5.500 5.242 5.081 5.442 . 0 0 "[ . 1]" 3
740 1 14 ILE MG 1 17 VAL H 5.500 . 5.500 4.873 4.720 5.003 . 0 0 "[ . 1]" 3
741 1 31 ILE MG 1 32 GLY QA 5.500 . 5.500 4.359 2.987 4.893 . 0 0 "[ . 1]" 3
742 1 29 GLY QA 1 31 ILE MG 6.500 . 6.500 5.386 5.160 5.686 . 0 0 "[ . 1]" 3
743 1 9 ILE HA 1 13 LEU H 4.500 . 4.500 3.921 3.728 4.080 . 0 0 "[ . 1]" 3
744 1 8 SER H 1 9 ILE HA 6.500 . 6.500 5.035 4.358 5.485 . 0 0 "[ . 1]" 3
745 1 9 ILE HA 1 11 GLN H 6.500 . 6.500 4.793 4.517 4.953 . 0 0 "[ . 1]" 3
746 1 9 ILE HB 1 13 LEU H 6.500 . 6.500 5.398 5.254 5.543 . 0 0 "[ . 1]" 3
747 1 8 SER H 1 9 ILE HB 6.500 . 6.500 6.573 5.995 6.982 0.482 10 0 "[ . 1]" 3
748 1 9 ILE HB 1 12 LEU H 5.500 . 5.500 5.537 5.472 5.728 0.228 1 0 "[ . 1]" 3
749 1 9 ILE MG 1 13 LEU H 5.500 . 5.500 3.594 3.385 3.911 . 0 0 "[ . 1]" 3
750 1 8 SER H 1 9 ILE MG 6.500 . 6.500 6.455 5.819 6.886 0.386 10 0 "[ . 1]" 3
751 1 10 TRP QB 1 12 LEU H 6.500 . 6.500 4.220 4.126 4.355 . 0 0 "[ . 1]" 3
752 1 11 GLN HA 1 13 LEU H 4.500 . 4.500 4.197 4.057 4.317 . 0 0 "[ . 1]" 3
753 1 8 SER H 1 11 GLN HA . . 6.000 7.378 6.246 9.486 3.486 6 8 "[ ****+*- *]" 3
754 1 11 GLN QB 1 13 LEU H 6.500 . 6.500 4.787 4.686 4.878 . 0 0 "[ . 1]" 3
755 1 8 SER H 1 12 LEU QB 6.500 . 6.500 5.030 4.295 5.775 . 0 0 "[ . 1]" 3
756 1 15 ILE MG 1 19 VAL HA 6.500 . 6.500 5.335 5.223 5.439 . 0 0 "[ . 1]" 3
757 1 18 ILE MG 1 19 VAL HA 6.500 . 6.500 3.595 3.481 3.723 . 0 0 "[ . 1]" 3
758 1 15 ILE MG 1 19 VAL H 5.500 . 5.500 4.403 4.306 4.489 . 0 0 "[ . 1]" 3
759 1 19 VAL HA 1 22 LEU HG 5.500 . 5.500 4.319 4.204 4.421 . 0 0 "[ . 1]" 3
760 1 17 VAL HA 1 20 VAL HA 5.500 . 5.500 5.489 5.312 5.645 0.145 7 0 "[ . 1]" 3
761 1 17 VAL HA 1 19 VAL HA 6.500 . 6.500 6.412 6.346 6.484 . 0 0 "[ . 1]" 3
762 1 17 VAL H 1 21 LEU QD 6.500 . 7.000 5.759 5.659 5.911 . 0 0 "[ . 1]" 3
763 1 17 VAL QG 1 21 LEU HG 4.500 . 4.500 4.948 4.811 5.156 0.656 3 2 "[ + . -1]" 3
764 1 13 LEU H 1 13 LEU HG 4.500 . 4.500 3.586 3.435 3.836 . 0 0 "[ . 1]" 3
765 1 35 LEU HG 1 39 ILE H 6.500 . 6.500 5.956 5.538 6.393 . 0 0 "[ . 1]" 3
766 1 18 ILE QG 1 19 VAL QG 6.000 . 6.000 5.193 5.063 5.391 . 0 0 "[ . 1]" 3
767 1 17 VAL QG 1 18 ILE QG 5.500 . 5.500 3.052 2.909 3.161 . 0 0 "[ . 1]" 3
768 1 44 LYS QB 1 47 SER QB 5.500 . 5.500 4.871 4.332 5.676 0.176 1 0 "[ . 1]" 3
769 1 39 ILE HA 1 40 LYS QB 5.500 . 5.500 5.415 5.380 5.451 . 0 0 "[ . 1]" 3
770 1 9 ILE HB 1 12 LEU QB 6.500 . 6.500 4.628 4.533 4.797 . 0 0 "[ . 1]" 3
771 1 42 PHE HA 1 43 LYS QB 5.500 . 5.500 5.227 5.159 5.463 . 0 0 "[ . 1]" 3
772 1 35 LEU QD 1 38 SER H 5.500 . 5.500 4.746 4.366 4.915 . 0 0 "[ . 1]" 3
773 1 35 LEU QD 1 37 ALA H 6.500 . 6.500 5.546 5.399 5.673 . 0 0 "[ . 1]" 3
774 1 33 SER H 1 35 LEU QD 6.500 . 6.500 5.685 5.498 5.931 . 0 0 "[ . 1]" 3
775 1 39 ILE QG 1 42 PHE QB 6.500 . 6.500 4.547 3.566 5.499 . 0 0 "[ . 1]" 3
776 1 17 VAL QG 1 21 LEU HG 6.500 . 6.500 3.376 3.294 3.476 . 0 0 "[ . 1]" 3
777 1 14 ILE HA 1 18 ILE HA 6.500 . 6.500 6.553 6.302 6.750 0.250 7 0 "[ . 1]" 3
778 1 13 LEU HA 1 17 VAL HB 6.500 . 6.500 5.001 4.816 5.244 . 0 0 "[ . 1]" 3
779 1 41 GLY QA 1 44 LYS QD 6.500 . 6.500 3.634 2.953 4.326 . 0 0 "[ . 1]" 3
780 1 12 LEU MD2 1 13 LEU H 4.500 . 4.500 4.380 4.310 4.555 0.055 6 0 "[ . 1]" 3
781 1 17 VAL QG 1 21 LEU QB 7.000 . 7.000 4.934 4.791 5.134 . 0 0 "[ . 1]" 3
782 1 21 LEU QB 1 22 LEU QB 5.500 . 5.500 4.941 4.889 5.013 . 0 0 "[ . 1]" 3
783 1 18 ILE HA 1 22 LEU MD2 6.500 . 6.500 6.880 6.693 7.008 0.508 3 1 "[ + . 1]" 3
784 1 18 ILE MG 1 22 LEU MD1 6.500 . 7.000 2.574 2.383 2.746 . 0 0 "[ . 1]" 3
785 1 21 LEU QD 1 22 LEU MD2 6.500 . 6.500 4.890 4.697 5.102 . 0 0 "[ . 1]" 3
786 1 39 ILE MG 1 40 LYS QB 4.500 . 4.500 2.991 2.825 3.129 . 0 0 "[ . 1]" 3
787 1 28 LEU QB 1 28 LEU QD . . 2.800 1.867 1.852 1.883 . 0 0 "[ . 1]" 3
788 1 9 ILE MG 1 12 LEU H 4.500 . 4.500 4.539 4.385 4.770 0.270 4 0 "[ . 1]" 3
789 1 35 LEU QB 1 37 ALA H 6.500 . 6.500 4.866 4.802 4.973 . 0 0 "[ . 1]" 3
790 1 33 SER H 1 35 LEU QB 6.500 . 6.500 5.212 5.074 5.401 . 0 0 "[ . 1]" 3
791 1 38 SER HA 1 39 ILE QG 6.000 . 6.000 6.574 6.396 6.653 0.653 2 9 [*+*-.*****] 3
792 1 44 LYS QB 1 45 ALA MB 4.500 . 4.500 4.008 3.766 4.172 . 0 0 "[ . 1]" 3
793 1 36 GLY QA 1 39 ILE QG 5.500 . 5.500 4.363 3.787 4.921 . 0 0 "[ . 1]" 3
794 1 39 ILE HB 1 40 LYS HA 5.500 . 5.500 5.477 5.197 5.626 0.126 5 0 "[ . 1]" 3
795 1 35 LEU H 1 37 ALA MB . . 5.500 5.043 4.949 5.178 . 0 0 "[ . 1]" 3
796 1 34 ASP H 1 37 ALA MB 5.500 . 5.500 5.020 4.916 5.221 . 0 0 "[ . 1]" 3
797 1 37 ALA MB 1 40 LYS QE 6.500 . 6.500 2.514 2.294 2.890 . 0 0 "[ . 1]" 3
798 1 37 ALA HA 1 38 SER QB 6.500 . 6.500 5.442 5.404 5.479 . 0 0 "[ . 1]" 3
799 1 37 ALA HA 1 39 ILE HA 6.500 . 6.500 6.571 6.467 6.728 0.228 5 0 "[ . 1]" 3
800 1 37 ALA HA 1 41 GLY QA 6.500 . 6.500 5.806 5.456 6.122 . 0 0 "[ . 1]" 3
801 1 37 ALA MB 1 40 LYS QD 5.500 . 5.500 4.010 3.685 4.401 . 0 0 "[ . 1]" 3
802 1 20 VAL HA 1 21 LEU HA 5.500 . 5.500 4.659 4.630 4.693 . 0 0 "[ . 1]" 3
803 1 19 VAL HA 1 21 LEU HA 6.500 . 6.500 6.510 6.399 6.616 0.116 7 0 "[ . 1]" 3
804 1 21 LEU H 1 22 LEU HG 6.500 . 6.500 6.173 5.999 6.301 . 0 0 "[ . 1]" 3
805 1 12 LEU MD2 1 13 LEU QB 6.500 . 6.500 5.731 5.674 5.858 . 0 0 "[ . 1]" 3
806 1 12 LEU HG 1 13 LEU H 5.500 . 5.500 5.071 4.962 5.214 . 0 0 "[ . 1]" 3
807 1 33 SER H 1 34 ASP QB 6.500 . 6.500 4.344 4.133 4.448 . 0 0 "[ . 1]" 3
808 1 34 ASP QB 1 37 ALA H . . 5.000 4.940 4.823 5.054 0.054 10 0 "[ . 1]" 3
809 1 34 ASP QB 1 38 SER H 6.500 . 6.500 5.230 5.014 5.390 . 0 0 "[ . 1]" 3
810 1 14 ILE MD 1 17 VAL QG 5.500 . 5.500 4.925 4.118 5.637 0.137 4 0 "[ . 1]" 3
811 1 9 ILE MD 1 11 GLN H 6.500 . 6.500 6.134 5.933 6.289 . 0 0 "[ . 1]" 3
812 1 39 ILE HB 1 40 LYS QG 5.500 . 6.000 5.286 4.828 5.713 . 0 0 "[ . 1]" 3
813 1 14 ILE MG 1 15 ILE MD 4.500 . 4.500 4.260 3.657 4.693 0.193 3 0 "[ . 1]" 3
814 1 14 ILE MD 1 15 ILE MD 5.500 . 5.500 5.344 4.858 5.897 0.397 7 0 "[ . 1]" 3
815 1 14 ILE MG 1 18 ILE MD 4.500 . 4.500 2.513 2.258 2.742 . 0 0 "[ . 1]" 3
816 1 14 ILE MD 1 18 ILE MD 6.500 . 6.500 5.198 4.682 5.693 . 0 0 "[ . 1]" 3
817 1 16 ALA HA 1 18 ILE HA 6.500 . 6.500 6.685 6.612 6.721 0.221 5 0 "[ . 1]" 3
818 1 35 LEU HA 1 35 LEU QD . . 3.500 2.680 2.440 2.869 . 0 0 "[ . 1]" 3
819 1 30 SER HA 1 30 SER QB 2.800 . 2.800 2.247 2.174 2.354 . 0 0 "[ . 1]" 3
820 1 29 GLY QA 1 30 SER HA 4.500 . 4.500 3.994 3.960 4.042 . 0 0 "[ . 1]" 3
821 1 37 ALA HA 1 40 LYS QD 5.500 . 5.500 2.979 2.593 3.463 . 0 0 "[ . 1]" 3
822 1 21 LEU QD 1 22 LEU HA 5.500 . 5.500 3.556 3.225 3.817 . 0 0 "[ . 1]" 3
823 1 31 ILE H 1 32 GLY QA . . 4.500 4.457 4.365 4.519 0.019 6 0 "[ . 1]" 3
824 1 28 LEU QD 1 32 GLY QA 5.500 . 5.500 4.747 4.090 5.218 . 0 0 "[ . 1]" 3
825 1 28 LEU HG 1 32 GLY QA 5.500 . 5.500 5.627 4.650 6.170 0.670 4 3 "[ +*- 1]" 3
826 1 32 GLY QA 1 35 LEU HG 6.500 . 6.500 5.890 5.719 6.032 . 0 0 "[ . 1]" 3
827 1 35 LEU HG 1 38 SER QB . . 5.500 3.646 3.158 4.074 . 0 0 "[ . 1]" 3
828 1 32 GLY H 1 33 SER HA 6.500 . 6.500 5.224 5.102 5.322 . 0 0 "[ . 1]" 3
829 1 31 ILE HA 1 33 SER HA 6.500 . 6.500 6.629 6.477 6.810 0.310 8 0 "[ . 1]" 3
830 1 30 SER HA 1 33 SER HA 6.000 . 6.000 5.952 5.565 6.306 0.306 1 0 "[ . 1]" 3
831 1 33 SER HA 1 34 ASP QB 6.500 . 6.500 5.304 5.218 5.411 . 0 0 "[ . 1]" 3
832 1 32 GLY QA 1 35 LEU HA 5.500 . 5.500 5.655 5.530 5.822 0.322 7 0 "[ . 1]" 3
833 1 32 GLY H 1 35 LEU HG 7.000 . 7.000 7.466 7.018 7.806 0.806 8 4 "[*- . +*1]" 3
834 1 13 LEU HG 1 17 VAL QG 5.500 . 5.500 4.479 4.420 4.522 . 0 0 "[ . 1]" 3
835 1 36 GLY QA 1 40 LYS QB 5.500 . 5.500 5.116 4.768 5.462 . 0 0 "[ . 1]" 3
836 1 33 SER HA 1 35 LEU HA 6.500 . 6.500 6.739 6.617 6.811 0.311 6 0 "[ . 1]" 3
837 1 33 SER HA 1 37 ALA HA 6.500 . 6.500 6.093 5.868 6.373 . 0 0 "[ . 1]" 3
838 1 33 SER QB 1 35 LEU H 6.500 . 6.500 4.904 4.790 5.003 . 0 0 "[ . 1]" 3
839 1 36 GLY H 1 37 ALA HA 6.500 . 6.500 5.198 5.150 5.234 . 0 0 "[ . 1]" 3
840 1 29 GLY H 1 30 SER HA 5.500 2.800 5.500 5.139 5.037 5.271 . 0 0 "[ . 1]" 3
841 1 40 LYS HA 1 41 GLY QA 5.500 . 5.500 4.367 4.317 4.403 . 0 0 "[ . 1]" 3
842 1 39 ILE HA 1 40 LYS HA 5.500 . 5.500 4.692 4.639 4.739 . 0 0 "[ . 1]" 3
843 1 40 LYS HA 1 43 LYS HA 6.000 . 6.000 5.878 5.518 6.259 0.259 8 0 "[ . 1]" 3
844 1 42 PHE H 1 44 LYS HA 6.500 . 6.500 6.600 6.396 6.684 0.184 9 0 "[ . 1]" 3
845 1 44 LYS HA 1 47 SER HA 6.500 . 6.500 5.156 4.218 6.076 . 0 0 "[ . 1]" 3
846 1 43 LYS HA 1 45 ALA HA 6.500 . 6.500 6.206 6.026 6.338 . 0 0 "[ . 1]" 3
847 1 42 PHE HA 1 44 LYS HA 6.500 . 6.500 6.447 6.147 6.710 0.210 2 0 "[ . 1]" 3
848 1 37 ALA HA 1 38 SER HA 5.500 . 5.500 4.754 4.729 4.787 . 0 0 "[ . 1]" 3
849 1 35 LEU HA 1 38 SER HA 5.500 . 5.500 4.827 4.625 4.976 . 0 0 "[ . 1]" 3
850 1 34 ASP H 1 35 LEU QD . . 6.000 4.882 4.561 5.312 . 0 0 "[ . 1]" 3
851 1 11 GLN QG 1 14 ILE MD 5.500 . 5.500 3.369 2.541 4.357 . 0 0 "[ . 1]" 3
852 2 9 ILE H 2 9 ILE HB 3.500 . 3.500 2.666 2.563 2.753 . 0 0 "[ . 1]" 3
853 2 9 ILE H 2 9 ILE QG 4.500 . 4.500 1.949 1.822 2.360 . 0 0 "[ . 1]" 3
854 2 9 ILE H 2 9 ILE MG 3.500 . 3.500 3.771 3.756 3.806 0.306 4 0 "[ . 1]" 3
855 2 10 TRP H 2 10 TRP QB 2.800 . 2.800 2.069 2.017 2.132 . 0 0 "[ . 1]" 3
856 2 13 LEU H 2 13 LEU HA 2.800 . 2.800 2.823 2.804 2.854 0.054 7 0 "[ . 1]" 3
857 2 12 LEU QB 2 13 LEU H 3.500 . 3.500 2.712 2.677 2.814 . 0 0 "[ . 1]" 3
858 2 13 LEU H 2 14 ILE H 3.500 . 3.500 2.653 2.551 2.693 . 0 0 "[ . 1]" 3
859 2 13 LEU HA 2 14 ILE H . . 5.500 3.543 3.517 3.563 . 0 0 "[ . 1]" 3
860 2 14 ILE H 2 14 ILE HA . . 2.800 2.781 2.769 2.791 . 0 0 "[ . 1]" 3
861 2 13 LEU QB 2 14 ILE H 3.500 . 3.500 2.597 2.511 2.668 . 0 0 "[ . 1]" 3
862 2 14 ILE H 2 14 ILE QG 3.500 . 3.500 2.659 1.918 3.496 . 0 0 "[ . 1]" 3
863 2 14 ILE H 2 15 ILE H 3.500 . 3.500 2.838 2.802 2.875 . 0 0 "[ . 1]" 3
864 2 16 ALA H 2 17 VAL H 3.500 . 3.500 2.677 2.620 2.715 . 0 0 "[ . 1]" 3
865 2 14 ILE HA 2 17 VAL H 3.500 . 4.000 3.692 3.594 3.784 . 0 0 "[ . 1]" 3
866 2 17 VAL H 2 17 VAL HB 2.800 . 2.800 2.246 2.179 2.337 . 0 0 "[ . 1]" 3
867 2 17 VAL H 2 17 VAL QG 2.800 . 3.300 2.351 2.173 2.499 . 0 0 "[ . 1]" 3
868 2 16 ALA MB 2 17 VAL H 2.800 . 2.800 2.254 2.201 2.320 . 0 0 "[ . 1]" 3
869 2 17 VAL QG 2 18 ILE H 3.500 . 3.500 3.132 3.048 3.198 . 0 0 "[ . 1]" 3
870 2 19 VAL H 2 20 VAL H 2.800 . 2.800 2.765 2.709 2.841 0.041 7 0 "[ . 1]" 3
871 2 18 ILE H 2 19 VAL H 3.500 . 3.500 2.435 2.351 2.526 . 0 0 "[ . 1]" 3
872 2 19 VAL H 2 19 VAL HA 2.800 . 2.800 2.788 2.760 2.805 0.005 3 0 "[ . 1]" 3
873 2 19 VAL H 2 19 VAL HB 3.500 . 3.500 2.108 2.065 2.178 . 0 0 "[ . 1]" 3
874 2 19 VAL H 2 19 VAL QG 2.800 . 3.300 2.778 2.626 2.896 . 0 0 "[ . 1]" 3
875 2 20 VAL H 2 20 VAL HB 3.500 . 3.500 2.838 2.763 2.870 . 0 0 "[ . 1]" 3
876 2 20 VAL H 2 20 VAL QG 3.500 . 3.500 1.773 1.694 1.820 0.106 6 0 "[ . 1]" 3
877 2 36 GLY H 2 37 ALA MB 4.500 . 4.500 4.415 4.375 4.474 . 0 0 "[ . 1]" 3
878 2 35 LEU QD 2 36 GLY H 4.500 . 4.500 4.215 4.164 4.286 . 0 0 "[ . 1]" 3
879 2 31 ILE H 2 31 ILE QG 3.500 . 3.500 2.823 2.268 4.009 0.509 1 1 "[+ . 1]" 3
880 2 31 ILE H 2 31 ILE MD . . 4.500 4.065 3.796 4.461 . 0 0 "[ . 1]" 3
881 2 31 ILE H 2 31 ILE MG . . 3.500 2.019 1.848 2.248 . 0 0 "[ . 1]" 3
882 2 38 SER H 2 38 SER QB . . 2.800 2.449 2.383 2.512 . 0 0 "[ . 1]" 3
883 2 37 ALA H 2 37 ALA MB 2.800 . 2.800 2.222 2.197 2.240 . 0 0 "[ . 1]" 3
884 2 43 LYS H 2 43 LYS HA 2.800 . 2.800 2.896 2.878 2.911 0.111 8 0 "[ . 1]" 3
885 2 43 LYS H 2 43 LYS QB 2.800 . 2.800 2.261 2.090 2.321 . 0 0 "[ . 1]" 3
886 2 43 LYS H 2 43 LYS QG 3.500 . 3.500 3.916 2.755 4.098 0.598 8 8 "[** *** +*-]" 3
887 2 39 ILE QG 2 40 LYS H . . 4.500 4.351 4.168 4.506 0.006 4 0 "[ . 1]" 3
888 2 43 LYS QD 2 44 LYS H 5.500 . 5.500 4.089 3.786 4.277 . 0 0 "[ . 1]" 3
889 2 46 MET H 2 46 MET QB 3.500 . 3.500 2.532 2.331 3.160 . 0 0 "[ . 1]" 3
890 2 46 MET H 2 46 MET QG 3.500 . 3.500 2.820 2.102 3.379 . 0 0 "[ . 1]" 3
891 2 47 SER HA 2 48 ASP H 3.500 . 3.500 2.345 2.171 2.714 . 0 0 "[ . 1]" 3
892 2 48 ASP H 2 48 ASP QB 3.500 . 3.500 2.556 2.098 2.927 . 0 0 "[ . 1]" 3
893 2 42 PHE H 2 42 PHE QD 4.500 . 4.500 3.179 2.416 3.902 . 0 0 "[ . 1]" 3
894 2 42 PHE H 2 42 PHE HA 2.800 . 2.800 2.827 2.794 2.860 0.060 4 0 "[ . 1]" 3
895 2 42 PHE H 2 42 PHE QB 2.800 . 2.800 2.148 2.025 2.511 . 0 0 "[ . 1]" 3
896 2 20 VAL HB 2 21 LEU H 3.500 . 4.000 2.698 2.566 2.878 . 0 0 "[ . 1]" 3
897 2 21 LEU H 2 21 LEU QB . . 2.800 2.822 2.767 2.869 0.069 5 0 "[ . 1]" 3
898 2 15 ILE H 2 16 ALA H 3.500 . 3.500 2.593 2.541 2.652 . 0 0 "[ . 1]" 3
899 2 16 ALA H 2 16 ALA MB 2.800 . 2.800 2.167 2.150 2.184 . 0 0 "[ . 1]" 3
900 2 15 ILE HB 2 16 ALA H 3.500 . 3.500 2.678 2.601 2.724 . 0 0 "[ . 1]" 3
901 2 12 LEU QD 2 16 ALA H 2.800 . 3.300 3.531 3.454 3.641 0.341 8 0 "[ . 1]" 3
902 2 22 LEU H 2 22 LEU QD 3.500 . 3.500 2.861 2.797 2.930 . 0 0 "[ . 1]" 3
903 2 19 VAL QG 2 22 LEU H 5.000 . 5.000 4.172 4.073 4.251 . 0 0 "[ . 1]" 3
904 2 21 LEU QD 2 22 LEU H 4.000 . 4.000 3.336 3.204 3.445 . 0 0 "[ . 1]" 3
905 2 40 LYS H 2 40 LYS QB 2.800 . 2.800 2.538 2.449 2.633 . 0 0 "[ . 1]" 3
906 2 40 LYS H 2 40 LYS HA 2.800 . 2.800 2.872 2.847 2.900 0.100 10 0 "[ . 1]" 3
907 2 11 GLN QB 2 12 LEU H . . 5.500 2.759 2.597 2.875 . 0 0 "[ . 1]" 3
908 2 17 VAL H 2 18 ILE H 3.500 . 3.500 2.798 2.736 2.867 . 0 0 "[ . 1]" 3
909 2 31 ILE QG 2 32 GLY H 4.500 . 4.500 2.734 2.265 4.032 . 0 0 "[ . 1]" 3
910 2 44 LYS QB 2 45 ALA H 3.500 . 3.500 3.045 2.658 3.269 . 0 0 "[ . 1]" 3
911 2 8 SER QB 2 9 ILE H 3.500 . 3.500 2.773 1.961 3.774 0.274 2 0 "[ . 1]" 3
912 2 9 ILE H 2 10 TRP H 3.500 . 3.500 2.673 2.316 2.860 . 0 0 "[ . 1]" 3
913 2 10 TRP H 2 12 LEU H 4.500 . 4.500 3.910 3.805 4.052 . 0 0 "[ . 1]" 3
914 2 9 ILE HA 2 10 TRP H 3.500 . 3.500 3.493 3.461 3.531 0.031 4 0 "[ . 1]" 3
915 2 9 ILE MG 2 10 TRP H 3.500 . 3.500 3.706 3.422 3.916 0.416 2 0 "[ . 1]" 3
916 2 11 GLN H 2 11 GLN QG . . 4.500 2.890 2.123 3.522 . 0 0 "[ . 1]" 3
917 2 11 GLN H 2 12 LEU H . . 3.500 2.589 2.492 2.701 . 0 0 "[ . 1]" 3
918 2 8 SER H 2 11 GLN H 6.500 . 6.500 3.634 2.988 4.189 . 0 0 "[ . 1]" 3
919 2 9 ILE MD 2 10 TRP H 5.000 . 5.000 4.468 4.425 4.504 . 0 0 "[ . 1]" 3
920 2 18 ILE H 2 20 VAL H 4.500 . 4.500 4.168 4.098 4.244 . 0 0 "[ . 1]" 3
921 2 16 ALA HA 2 19 VAL H 4.500 . 4.500 3.607 3.491 3.653 . 0 0 "[ . 1]" 3
922 2 17 VAL HA 2 20 VAL H 3.500 . 3.500 4.007 3.893 4.162 0.662 2 5 "[-+ .*** 1]" 3
923 2 20 VAL H 2 21 LEU H 2.800 . 2.800 2.815 2.759 2.857 0.057 7 0 "[ . 1]" 3
924 2 21 LEU HG 2 22 LEU H 4.500 . 4.500 2.492 2.322 2.673 . 0 0 "[ . 1]" 3
925 2 35 LEU H 2 35 LEU QB 3.500 . 3.500 2.236 2.054 2.478 . 0 0 "[ . 1]" 3
926 2 10 TRP H 2 13 LEU QB 5.000 . 5.000 4.949 4.774 5.073 0.073 7 0 "[ . 1]" 3
927 2 10 TRP HA 2 13 LEU H 3.500 . 3.500 3.847 3.754 3.967 0.467 9 0 "[ . 1]" 3
928 2 15 ILE H 2 16 ALA MB 4.500 . 4.500 4.232 4.178 4.287 . 0 0 "[ . 1]" 3
929 2 13 LEU HA 2 16 ALA H 3.500 . 3.500 3.364 3.309 3.402 . 0 0 "[ . 1]" 3
930 2 16 ALA HA 2 17 VAL H 4.500 . 4.500 3.490 3.479 3.497 . 0 0 "[ . 1]" 3
931 2 18 ILE HB 2 20 VAL H 5.500 . 5.500 5.086 5.050 5.150 . 0 0 "[ . 1]" 3
932 2 39 ILE H 2 39 ILE MG 4.500 . 4.500 2.717 2.431 3.098 . 0 0 "[ . 1]" 3
933 2 39 ILE MG 2 43 LYS H . . 3.500 4.874 4.705 4.996 1.496 9 10 [**-*****+*] 3
934 2 17 VAL H 2 19 VAL H 4.500 . 4.500 4.190 4.132 4.292 . 0 0 "[ . 1]" 3
935 2 15 ILE HA 2 19 VAL H 4.500 . 4.500 3.245 3.227 3.268 . 0 0 "[ . 1]" 3
936 2 10 TRP QB 2 13 LEU H 5.500 . 5.500 4.994 4.938 5.071 . 0 0 "[ . 1]" 3
937 2 21 LEU H 2 21 LEU HG 3.500 . 4.000 2.353 2.232 2.473 . 0 0 "[ . 1]" 3
938 2 9 ILE H 2 9 ILE MD 4.500 . 4.500 2.998 2.856 3.372 . 0 0 "[ . 1]" 3
939 2 12 LEU H 2 13 LEU H 2.800 . 2.800 2.676 2.585 2.739 . 0 0 "[ . 1]" 3
940 2 12 LEU H 2 12 LEU QB . . 2.800 2.099 2.012 2.342 . 0 0 "[ . 1]" 3
941 2 13 LEU H 2 13 LEU QB 2.800 . 2.800 2.066 2.046 2.086 . 0 0 "[ . 1]" 3
942 2 13 LEU H 2 13 LEU QD 3.500 . 3.500 3.684 3.645 3.703 0.203 10 0 "[ . 1]" 3
943 2 15 ILE HA 2 18 ILE H 5.500 . 5.500 3.453 3.361 3.522 . 0 0 "[ . 1]" 3
944 2 18 ILE H 2 18 ILE HA 2.800 . 2.800 2.880 2.859 2.898 0.098 8 0 "[ . 1]" 3
945 2 20 VAL H 2 20 VAL HA 2.800 . 2.800 2.800 2.790 2.812 0.012 10 0 "[ . 1]" 3
946 2 37 ALA H 2 37 ALA HA 2.800 . 2.800 2.830 2.813 2.837 0.037 6 0 "[ . 1]" 3
947 2 44 LYS H 2 44 LYS QB 2.800 . 2.800 2.272 2.205 2.340 . 0 0 "[ . 1]" 3
948 2 10 TRP QB 2 10 TRP HE1 4.500 . 4.500 4.421 4.381 4.463 . 0 0 "[ . 1]" 3
949 2 21 LEU H 2 21 LEU QD 3.500 . 3.500 1.874 1.738 2.018 0.062 5 0 "[ . 1]" 3
950 2 11 GLN H 2 11 GLN QB 3.500 . 3.500 2.415 2.171 2.532 . 0 0 "[ . 1]" 3
951 2 10 TRP H 2 11 GLN H 3.500 . 3.500 2.979 2.848 3.083 . 0 0 "[ . 1]" 3
952 2 9 ILE HA 2 12 LEU H 4.500 . 4.500 3.490 3.255 3.794 . 0 0 "[ . 1]" 3
953 2 17 VAL H 2 20 VAL H 5.500 . 5.500 5.237 5.175 5.324 . 0 0 "[ . 1]" 3
954 2 11 GLN QB 2 11 GLN QE 3.500 . 3.500 2.995 2.600 3.704 0.204 6 0 "[ . 1]" 3
955 2 16 ALA H 2 17 VAL HB 5.500 . 5.500 4.501 4.427 4.550 . 0 0 "[ . 1]" 3
956 2 16 ALA MB 2 19 VAL H 5.500 . 5.500 4.635 4.559 4.710 . 0 0 "[ . 1]" 3
957 2 39 ILE H 2 39 ILE HA 2.800 . 2.800 2.838 2.825 2.855 0.055 9 0 "[ . 1]" 3
958 2 39 ILE H 2 39 ILE QG 3.500 . 3.500 4.051 3.952 4.110 0.610 2 8 "[*+* .****-]" 3
959 2 11 GLN H 2 11 GLN HA 2.800 . 2.800 2.826 2.799 2.851 0.051 9 0 "[ . 1]" 3
960 2 32 GLY H 2 32 GLY QA 2.800 . 2.800 2.206 2.201 2.214 . 0 0 "[ . 1]" 3
961 2 44 LYS H 2 44 LYS QG 4.500 . 4.500 4.021 3.980 4.078 . 0 0 "[ . 1]" 3
962 2 16 ALA MB 2 18 ILE H 5.500 . 5.500 4.401 4.336 4.458 . 0 0 "[ . 1]" 3
963 2 39 ILE H 2 39 ILE MD 3.500 . 3.500 3.710 3.245 4.345 0.845 5 1 "[ + 1]" 3
964 2 33 SER QB 2 34 ASP H 4.500 . 4.500 2.542 2.442 2.709 . 0 0 "[ . 1]" 3
965 2 12 LEU H 2 12 LEU QD 3.500 . 3.500 2.624 2.416 2.982 . 0 0 "[ . 1]" 3
966 2 41 GLY H 2 41 GLY QA 2.800 . 2.800 2.257 2.216 2.273 . 0 0 "[ . 1]" 3
967 2 47 SER QB 2 48 ASP H 3.500 . 3.500 3.733 3.163 4.003 0.503 9 1 "[ . +1]" 3
968 2 40 LYS H 2 40 LYS QD 5.500 . 5.500 3.869 3.721 4.025 . 0 0 "[ . 1]" 3
969 2 38 SER H 2 39 ILE QG 5.500 . 6.000 5.983 5.828 6.124 0.124 2 0 "[ . 1]" 3
970 2 8 SER QB 2 10 TRP H 4.500 . 4.500 3.162 2.428 5.223 0.723 4 1 "[ +. 1]" 3
971 2 15 ILE H 2 17 VAL H 4.500 . 4.500 4.208 4.156 4.257 . 0 0 "[ . 1]" 3
972 2 21 LEU QB 2 22 LEU H 4.500 . 4.500 3.619 3.565 3.694 . 0 0 "[ . 1]" 3
973 2 37 ALA HA 2 40 LYS H . . 3.500 3.498 3.417 3.578 0.078 8 0 "[ . 1]" 3
974 2 43 LYS H 2 43 LYS QD 4.500 . 4.500 4.030 3.589 4.165 . 0 0 "[ . 1]" 3
975 2 14 ILE H 2 14 ILE MD 2.800 . 2.800 2.895 2.161 3.549 0.749 9 5 "[ *-** +1]" 3
976 2 18 ILE H 2 18 ILE QG 4.500 . 4.500 2.108 2.008 2.338 . 0 0 "[ . 1]" 3
977 2 18 ILE HB 2 19 VAL H 4.500 . 4.500 2.771 2.672 2.818 . 0 0 "[ . 1]" 3
978 2 30 SER QB 2 31 ILE H 3.500 . 3.500 2.480 2.008 2.743 . 0 0 "[ . 1]" 3
979 2 42 PHE QB 2 43 LYS H 2.800 . 2.800 3.221 2.805 3.644 0.844 5 4 "[ *+ -*]" 3
980 2 47 SER H 2 47 SER QB 3.500 . 3.500 2.923 2.754 3.237 . 0 0 "[ . 1]" 3
981 2 18 ILE HA 2 21 LEU H 3.500 . 4.000 3.740 3.645 3.854 . 0 0 "[ . 1]" 3
982 2 20 VAL HA 2 21 LEU H 4.500 . 4.500 3.556 3.543 3.570 . 0 0 "[ . 1]" 3
983 2 17 VAL QG 2 21 LEU H 5.500 . 5.500 5.141 5.019 5.261 . 0 0 "[ . 1]" 3
984 2 31 ILE MG 2 32 GLY H 4.500 . 4.500 3.459 2.199 3.960 . 0 0 "[ . 1]" 3
985 2 11 GLN H 2 14 ILE MD 4.500 . 5.000 4.270 3.943 4.454 . 0 0 "[ . 1]" 3
986 2 8 SER H 2 12 LEU H 5.500 . 5.500 4.541 3.849 6.194 0.694 4 1 "[ +. 1]" 3
987 2 19 VAL HA 2 22 LEU H 4.500 . 4.500 3.443 3.362 3.537 . 0 0 "[ . 1]" 3
988 2 16 ALA HA 2 20 VAL H 4.500 . 4.500 4.709 4.527 4.887 0.387 9 0 "[ . 1]" 3
989 2 35 LEU H 2 36 GLY QA 4.500 . 4.500 4.368 4.295 4.454 . 0 0 "[ . 1]" 3
990 2 15 ILE H 2 15 ILE QG 3.500 . 3.500 1.830 1.766 1.949 0.034 8 0 "[ . 1]" 3
991 2 17 VAL HB 2 18 ILE H 3.500 . 3.500 2.846 2.736 2.925 . 0 0 "[ . 1]" 3
992 2 38 SER H 2 39 ILE MD 5.500 . 5.500 5.293 4.675 5.979 0.479 5 0 "[ . 1]" 3
993 2 38 SER H 2 39 ILE MG 6.500 . 6.500 4.282 3.788 4.731 . 0 0 "[ . 1]" 3
994 2 34 ASP H 2 34 ASP QB 3.500 . 3.500 2.197 2.069 2.415 . 0 0 "[ . 1]" 3
995 2 16 ALA MB 2 20 VAL H 5.000 . 5.000 5.096 4.943 5.266 0.266 9 0 "[ . 1]" 3
996 2 35 LEU H 2 35 LEU QD 3.500 . 3.500 3.114 2.899 3.379 . 0 0 "[ . 1]" 3
997 2 10 TRP HA 2 12 LEU H 4.500 . 4.500 4.452 4.367 4.568 0.068 1 0 "[ . 1]" 3
998 2 12 LEU HA 2 15 ILE H 4.500 . 4.500 3.660 3.435 3.867 . 0 0 "[ . 1]" 3
999 2 18 ILE H 2 18 ILE MD 3.500 . 3.500 3.532 3.473 3.634 0.134 5 0 "[ . 1]" 3
1000 2 15 ILE HA 2 16 ALA H 3.500 . 3.500 3.529 3.521 3.544 0.044 4 0 "[ . 1]" 3
1001 2 8 SER H 2 11 GLN QG 4.500 . 4.500 5.076 3.807 7.131 2.631 4 4 "[ *-+. * 1]" 3
1002 2 17 VAL HA 2 21 LEU H 4.500 . 4.500 5.577 5.533 5.635 1.135 3 10 [**+*-*****] 3
1003 2 13 LEU QB 2 17 VAL H 5.500 . 5.500 4.704 4.608 4.778 . 0 0 "[ . 1]" 3
1004 2 14 ILE QG 2 17 VAL H 5.500 . 5.500 5.518 5.441 5.588 0.088 7 0 "[ . 1]" 3
1005 2 12 LEU H 2 12 LEU HG . . 4.500 3.942 2.872 4.254 . 0 0 "[ . 1]" 3
1006 2 22 LEU H 2 22 LEU HG . . 4.500 2.475 2.391 2.566 . 0 0 "[ . 1]" 3
1007 2 10 TRP QB 2 11 GLN H 4.500 . 4.500 2.167 2.030 2.267 . 0 0 "[ . 1]" 3
1008 2 10 TRP HA 2 11 GLN H 4.500 . 4.500 3.565 3.543 3.583 . 0 0 "[ . 1]" 3
1009 2 35 LEU H 2 35 LEU HG 4.500 . 4.500 3.210 2.228 4.313 . 0 0 "[ . 1]" 3
1010 2 39 ILE H 2 39 ILE HB 3.500 . 3.500 2.275 2.112 2.402 . 0 0 "[ . 1]" 3
1011 2 31 ILE H 2 31 ILE HB 3.500 . 3.500 3.410 2.459 3.662 0.162 10 0 "[ . 1]" 3
1012 2 18 ILE H 2 18 ILE HB 3.500 . 3.500 2.610 2.458 2.662 . 0 0 "[ . 1]" 3
1013 2 15 ILE H 2 15 ILE HB 2.800 . 2.800 2.725 2.668 2.795 . 0 0 "[ . 1]" 3
1014 2 15 ILE H 2 15 ILE MG 3.500 . 3.500 3.770 3.760 3.789 0.289 7 0 "[ . 1]" 3
1015 2 15 ILE QG 2 16 ALA H 4.500 . 4.500 3.765 3.653 3.866 . 0 0 "[ . 1]" 3
1016 2 20 VAL QG 2 21 LEU H 4.000 . 4.000 3.291 3.225 3.374 . 0 0 "[ . 1]" 3
1017 2 18 ILE MG 2 19 VAL H 4.500 . 4.500 3.672 3.455 3.751 . 0 0 "[ . 1]" 3
1018 2 20 VAL H 2 21 LEU HA 5.500 . 5.500 5.377 5.338 5.407 . 0 0 "[ . 1]" 3
1019 2 20 VAL H 2 21 LEU QD 4.500 . 4.500 3.456 3.321 3.535 . 0 0 "[ . 1]" 3
1020 2 17 VAL HB 2 20 VAL H 4.500 . 4.500 3.242 3.064 3.529 . 0 0 "[ . 1]" 3
1021 2 14 ILE HB 2 17 VAL H 5.500 . 5.500 5.696 5.570 5.876 0.376 7 0 "[ . 1]" 3
1022 2 10 TRP H 2 10 TRP HE1 6.500 . 6.500 6.293 5.230 6.637 0.137 6 0 "[ . 1]" 3
1023 2 39 ILE MG 2 40 LYS H 3.500 . 3.500 2.372 2.274 2.437 . 0 0 "[ . 1]" 3
1024 2 20 VAL H 2 21 LEU HG 4.500 . 5.000 4.590 4.459 4.760 . 0 0 "[ . 1]" 3
1025 2 40 LYS H 2 40 LYS QG . . 3.500 2.188 2.057 2.298 . 0 0 "[ . 1]" 3
1026 2 16 ALA H 2 17 VAL QG 4.500 . 4.500 4.239 4.131 4.314 . 0 0 "[ . 1]" 3
1027 2 16 ALA H 2 19 VAL QG 4.500 . 4.500 4.774 4.576 4.931 0.431 5 0 "[ . 1]" 3
1028 2 31 ILE HB 2 32 GLY H 4.500 . 4.500 4.099 3.979 4.276 . 0 0 "[ . 1]" 3
1029 2 9 ILE HB 2 10 TRP H 4.500 . 4.500 2.798 2.486 3.050 . 0 0 "[ . 1]" 3
1030 2 8 SER H 2 11 GLN QB 4.500 . 4.500 3.778 2.713 5.812 1.312 4 2 "[ - +. 1]" 3
1031 2 19 VAL H 2 20 VAL QG 4.500 . 4.500 3.654 3.554 3.737 . 0 0 "[ . 1]" 3
1032 2 35 LEU QB 2 38 SER H . . 4.500 4.670 4.558 4.775 0.275 9 0 "[ . 1]" 3
1033 2 42 PHE QD 2 46 MET ME 3.500 . 3.500 3.656 2.166 4.927 1.427 1 3 "[+- .* 1]" 3
1034 2 46 MET HA 2 46 MET ME 4.500 . 5.000 4.289 4.126 4.406 . 0 0 "[ . 1]" 3
1035 2 43 LYS HA 2 46 MET ME 4.500 . 4.500 2.898 2.022 4.055 . 0 0 "[ . 1]" 3
1036 2 45 ALA MB 2 46 MET ME 5.500 . 5.500 4.975 3.956 5.778 0.278 1 0 "[ . 1]" 3
1037 2 9 ILE HA 2 9 ILE MG 3.500 . 3.500 2.363 2.332 2.399 . 0 0 "[ . 1]" 3
1038 2 9 ILE HB 2 9 ILE MD 3.500 . 3.500 3.238 3.231 3.247 . 0 0 "[ . 1]" 3
1039 2 39 ILE QG 2 39 ILE MG 2.800 . 2.800 2.117 2.095 2.238 . 0 0 "[ . 1]" 3
1040 2 9 ILE HA 2 9 ILE QG 3.500 . 3.500 3.001 2.918 3.054 . 0 0 "[ . 1]" 3
1041 2 9 ILE MD 2 9 ILE MG 3.500 . 3.500 1.921 1.861 1.978 . 0 0 "[ . 1]" 3
1042 2 12 LEU HA 2 15 ILE HB 3.500 . 3.500 3.484 3.319 3.812 0.312 6 0 "[ . 1]" 3
1043 2 13 LEU HA 2 16 ALA MB 3.500 . 3.500 2.412 2.350 2.462 . 0 0 "[ . 1]" 3
1044 2 12 LEU QD 2 13 LEU QB 2.800 . 2.800 1.988 1.978 1.995 . 0 0 "[ . 1]" 3
1045 2 28 LEU HG 2 31 ILE QG 6.500 . 7.000 4.932 3.801 7.484 0.484 3 0 "[ . 1]" 3
1046 2 9 ILE HA 2 12 LEU HG 4.500 . 4.500 3.451 3.043 3.938 . 0 0 "[ . 1]" 3
1047 2 13 LEU HA 2 13 LEU HG 3.500 . 3.500 2.976 2.925 3.041 . 0 0 "[ . 1]" 3
1048 2 35 LEU HA 2 35 LEU HG . . 3.500 2.624 2.164 3.078 . 0 0 "[ . 1]" 3
1049 2 12 LEU H 2 13 LEU HG 4.500 . 5.000 4.975 4.928 5.026 0.026 9 0 "[ . 1]" 3
1050 2 18 ILE H 2 21 LEU QD 5.500 . 5.500 4.128 4.070 4.233 . 0 0 "[ . 1]" 3
1051 2 35 LEU QB 2 35 LEU QD 2.800 . 2.800 1.933 1.909 1.950 . 0 0 "[ . 1]" 3
1052 2 13 LEU HA 2 13 LEU QD 3.500 . 4.500 1.841 1.808 1.865 . 0 0 "[ . 1]" 3
1053 2 13 LEU QB 2 13 LEU QD 2.800 . 2.800 1.989 1.979 1.996 . 0 0 "[ . 1]" 3
1054 2 14 ILE HA 2 14 ILE MG 3.500 . 3.500 2.550 2.382 2.790 . 0 0 "[ . 1]" 3
1055 2 14 ILE HA 2 17 VAL QG 3.500 . 3.500 3.041 2.868 3.158 . 0 0 "[ . 1]" 3
1056 2 14 ILE H 2 14 ILE HB 3.500 . 3.500 2.430 2.197 2.632 . 0 0 "[ . 1]" 3
1057 2 14 ILE HB 2 15 ILE HA 4.500 . 4.500 4.503 4.161 4.910 0.410 7 0 "[ . 1]" 3
1058 2 14 ILE HA 2 14 ILE MD 4.500 . 4.500 3.393 2.727 3.880 . 0 0 "[ . 1]" 3
1059 2 11 GLN HA 2 14 ILE MD 3.500 . 3.500 2.332 1.897 2.956 . 0 0 "[ . 1]" 3
1060 2 10 TRP HE3 2 14 ILE MD 4.500 . 4.500 2.418 2.214 2.846 . 0 0 "[ . 1]" 3
1061 2 15 ILE HA 2 15 ILE MG 2.800 . 3.300 2.056 2.025 2.105 . 0 0 "[ . 1]" 3
1062 2 15 ILE HA 2 15 ILE QG 3.500 . 3.500 2.545 2.507 2.614 . 0 0 "[ . 1]" 3
1063 2 14 ILE HB 2 15 ILE QG 5.500 . 5.500 3.052 2.785 3.335 . 0 0 "[ . 1]" 3
1064 2 15 ILE H 2 15 ILE MD 3.500 . 3.500 3.457 3.420 3.518 0.018 1 0 "[ . 1]" 3
1065 2 17 VAL HA 2 18 ILE H 5.500 . 5.500 3.542 3.519 3.558 . 0 0 "[ . 1]" 3
1066 2 16 ALA MB 2 17 VAL HA 4.500 . 4.500 3.581 3.546 3.621 . 0 0 "[ . 1]" 3
1067 2 17 VAL HA 2 17 VAL QG 2.800 . 3.300 1.992 1.928 2.068 . 0 0 "[ . 1]" 3
1068 2 17 VAL HA 2 17 VAL QG 2.800 . 3.300 2.063 1.994 2.124 . 0 0 "[ . 1]" 3
1069 2 18 ILE H 2 19 VAL HB 6.500 . 6.500 4.227 4.113 4.305 . 0 0 "[ . 1]" 3
1070 2 19 VAL HB 2 20 VAL H 4.500 . 4.500 3.256 3.072 3.556 . 0 0 "[ . 1]" 3
1071 2 14 ILE HA 2 17 VAL QG 2.800 . 3.300 2.068 2.011 2.084 . 0 0 "[ . 1]" 3
1072 2 16 ALA MB 2 17 VAL QG 5.000 . 5.000 2.717 2.629 2.846 . 0 0 "[ . 1]" 3
1073 2 18 ILE HA 2 21 LEU QD . . 4.000 1.928 1.888 2.022 . 0 0 "[ . 1]" 3
1074 2 13 LEU H 2 14 ILE HB 5.500 . 5.500 4.510 4.289 4.620 . 0 0 "[ . 1]" 3
1075 2 18 ILE HB 2 18 ILE MD 2.800 . 2.800 2.391 2.371 2.439 . 0 0 "[ . 1]" 3
1076 2 15 ILE MG 2 16 ALA MB 3.500 . 4.000 4.561 4.487 4.656 0.656 6 9 "[*****+ **-]" 3
1077 2 14 ILE HA 2 17 VAL HB 3.500 . 3.500 2.715 2.592 2.894 . 0 0 "[ . 1]" 3
1078 2 16 ALA HA 2 19 VAL HB 4.500 . 4.500 2.658 2.494 2.900 . 0 0 "[ . 1]" 3
1079 2 16 ALA HA 2 19 VAL QG 3.500 . 4.000 3.153 3.049 3.245 . 0 0 "[ . 1]" 3
1080 2 19 VAL HA 2 19 VAL QG 2.800 . 2.800 1.846 1.823 1.855 . 0 0 "[ . 1]" 3
1081 2 20 VAL HA 2 20 VAL QG 2.800 . 2.800 2.106 2.048 2.127 . 0 0 "[ . 1]" 3
1082 2 20 VAL QG 2 21 LEU H 4.500 . 4.500 3.208 3.155 3.288 . 0 0 "[ . 1]" 3
1083 2 16 ALA HA 2 20 VAL QG . . 6.000 4.110 3.976 4.290 . 0 0 "[ . 1]" 3
1084 2 17 VAL HA 2 20 VAL QG 4.500 . 4.500 2.664 2.427 2.910 . 0 0 "[ . 1]" 3
1085 2 26 LYS HA 2 26 LYS QG 3.500 . 3.500 2.364 2.052 2.474 . 0 0 "[ . 1]" 3
1086 2 28 LEU HA 2 31 ILE QG 5.500 . 5.500 3.074 2.006 5.732 0.232 3 0 "[ . 1]" 3
1087 2 27 LYS HA 2 27 LYS QB 2.800 . 2.800 2.428 2.379 2.468 . 0 0 "[ . 1]" 3
1088 2 41 GLY QA 2 44 LYS QG 6.500 . 6.500 4.189 3.576 4.739 . 0 0 "[ . 1]" 3
1089 2 44 LYS HA 2 44 LYS QG . . 3.500 2.433 2.292 2.701 . 0 0 "[ . 1]" 3
1090 2 27 LYS HA 2 27 LYS QE 5.500 . 5.500 3.540 2.472 4.091 . 0 0 "[ . 1]" 3
1091 2 9 ILE HA 2 13 LEU QD 7.000 . 7.000 5.530 5.346 5.747 . 0 0 "[ . 1]" 3
1092 2 30 SER QB 2 31 ILE MG 5.000 . 5.000 3.236 2.681 4.221 . 0 0 "[ . 1]" 3
1093 2 30 SER QB 2 31 ILE QG . . 4.500 4.721 4.400 5.312 0.812 1 1 "[+ . 1]" 3
1094 2 33 SER HA 2 33 SER QB 2.800 . 2.800 2.288 2.238 2.334 . 0 0 "[ . 1]" 3
1095 2 30 SER QB 2 33 SER H 5.500 . 5.500 4.911 4.746 5.087 . 0 0 "[ . 1]" 3
1096 2 29 GLY H 2 30 SER QB 5.500 . 5.500 5.232 4.949 5.428 . 0 0 "[ . 1]" 3
1097 2 27 LYS H 2 30 SER QB . . 6.500 6.331 5.410 6.934 0.434 2 0 "[ . 1]" 3
1098 2 31 ILE HA 2 31 ILE QG 3.500 . 3.500 3.110 2.310 3.332 . 0 0 "[ . 1]" 3
1099 2 31 ILE HA 2 31 ILE MG 3.500 . 3.500 2.623 2.323 3.212 . 0 0 "[ . 1]" 3
1100 2 37 ALA HA 2 38 SER H 3.500 . 3.500 3.398 3.352 3.447 . 0 0 "[ . 1]" 3
1101 2 42 PHE QD 2 45 ALA MB 4.500 . 4.500 5.032 4.249 5.505 1.005 2 6 "[*+ -. ***]" 3
1102 2 45 ALA H 2 45 ALA MB 3.500 . 3.500 2.323 2.287 2.348 . 0 0 "[ . 1]" 3
1103 2 40 LYS HA 2 40 LYS QB 2.800 . 2.800 2.178 2.174 2.184 . 0 0 "[ . 1]" 3
1104 2 39 ILE MG 2 40 LYS HA 3.500 . 3.500 3.041 2.989 3.082 . 0 0 "[ . 1]" 3
1105 2 18 ILE QG 2 19 VAL H . . 4.500 3.940 3.853 4.128 . 0 0 "[ . 1]" 3
1106 2 42 PHE QB 2 43 LYS HA 4.500 . 4.500 4.669 4.462 4.760 0.260 1 0 "[ . 1]" 3
1107 2 43 LYS HA 2 43 LYS QB . . 2.800 2.466 2.422 2.524 . 0 0 "[ . 1]" 3
1108 2 43 LYS HA 2 43 LYS QD 4.500 . 4.500 2.882 1.964 3.973 . 0 0 "[ . 1]" 3
1109 2 43 LYS HA 2 43 LYS QG . . 2.800 2.293 2.072 2.812 0.012 8 0 "[ . 1]" 3
1110 2 27 LYS H 2 27 LYS QB 3.500 . 3.500 2.391 2.269 2.601 . 0 0 "[ . 1]" 3
1111 2 26 LYS QB 2 26 LYS QE 4.500 . 4.500 2.293 1.927 3.517 . 0 0 "[ . 1]" 3
1112 2 27 LYS QE 2 27 LYS QG 2.800 . 2.800 2.213 2.033 2.360 . 0 0 "[ . 1]" 3
1113 2 44 LYS HA 2 44 LYS QD 4.500 . 4.500 3.335 1.997 4.029 . 0 0 "[ . 1]" 3
1114 2 44 LYS HA 2 44 LYS QB 2.800 . 2.800 2.417 2.366 2.474 . 0 0 "[ . 1]" 3
1115 2 43 LYS H 2 44 LYS HA 5.500 . 5.500 4.920 4.823 5.043 . 0 0 "[ . 1]" 3
1116 2 46 MET HA 2 46 MET QG 3.500 . 3.500 2.517 2.249 3.351 . 0 0 "[ . 1]" 3
1117 2 47 SER HA 2 47 SER QB 2.800 . 2.800 2.191 2.164 2.266 . 0 0 "[ . 1]" 3
1118 2 26 LYS QB 2 27 LYS HA 5.500 . 5.500 3.810 3.642 4.278 . 0 0 "[ . 1]" 3
1119 2 26 LYS QG 2 27 LYS H 4.500 . 4.500 4.137 3.918 4.552 0.052 4 0 "[ . 1]" 3
1120 2 41 GLY QA 2 44 LYS QG 6.500 . 6.500 3.944 3.529 4.216 . 0 0 "[ . 1]" 3
1121 2 26 LYS HA 2 26 LYS QB . . 2.800 2.412 2.346 2.528 . 0 0 "[ . 1]" 3
1122 2 18 ILE MD 2 19 VAL H 4.500 . 4.500 4.575 4.471 4.707 0.207 5 0 "[ . 1]" 3
1123 2 9 ILE HA 2 9 ILE MD 3.500 . 3.500 2.133 2.086 2.203 . 0 0 "[ . 1]" 3
1124 2 9 ILE MG 2 10 TRP HA 4.500 . 4.500 3.747 3.509 3.986 . 0 0 "[ . 1]" 3
1125 2 9 ILE HA 2 12 LEU QD 4.500 . 5.000 3.610 3.223 4.079 . 0 0 "[ . 1]" 3
1126 2 10 TRP HA 2 13 LEU QD 4.500 . 4.500 4.222 4.080 4.466 . 0 0 "[ . 1]" 3
1127 2 15 ILE MG 2 16 ALA HA 3.500 . 3.500 3.921 3.813 4.064 0.564 6 2 "[ .+ - 1]" 3
1128 2 13 LEU QD 2 16 ALA H 5.500 . 6.000 3.977 3.884 4.073 . 0 0 "[ . 1]" 3
1129 2 42 PHE HA 2 42 PHE QB 2.800 . 2.800 2.171 2.149 2.210 . 0 0 "[ . 1]" 3
1130 2 42 PHE HA 2 42 PHE QD 3.500 . 3.500 3.354 2.891 3.734 0.234 5 0 "[ . 1]" 3
1131 2 14 ILE HA 2 17 VAL HA 6.500 . 6.500 5.574 5.465 5.727 . 0 0 "[ . 1]" 3
1132 2 39 ILE HA 2 39 ILE QG 3.500 . 3.500 2.442 2.171 2.574 . 0 0 "[ . 1]" 3
1133 2 39 ILE HA 2 39 ILE MD 3.500 . 3.500 2.188 1.975 3.641 0.141 5 0 "[ . 1]" 3
1134 2 39 ILE HA 2 39 ILE MG . . 2.800 3.160 3.069 3.207 0.407 3 0 "[ . 1]" 3
1135 2 22 LEU QB 2 22 LEU QD 2.800 . 2.800 1.962 1.934 1.986 . 0 0 "[ . 1]" 3
1136 2 19 VAL HA 2 22 LEU QD . . 4.500 2.386 2.258 2.505 . 0 0 "[ . 1]" 3
1137 2 22 LEU HA 2 22 LEU QD . . 4.000 1.966 1.910 2.057 . 0 0 "[ . 1]" 3
1138 2 12 LEU QB 2 12 LEU QD 2.800 . 2.800 2.047 1.995 2.062 . 0 0 "[ . 1]" 3
1139 2 22 LEU HA 2 22 LEU QB 2.800 . 2.800 2.389 2.360 2.410 . 0 0 "[ . 1]" 3
1140 2 21 LEU QB 2 21 LEU QD . . 2.800 1.847 1.804 1.864 . 0 0 "[ . 1]" 3
1141 2 40 LYS HA 2 40 LYS QD 4.500 . 4.500 4.272 4.254 4.284 . 0 0 "[ . 1]" 3
1142 2 10 TRP HA 2 10 TRP HE3 4.500 . 4.500 3.809 3.288 4.145 . 0 0 "[ . 1]" 3
1143 2 9 ILE MG 2 13 LEU HG 5.500 . 5.500 3.376 3.043 3.661 . 0 0 "[ . 1]" 3
1144 2 12 LEU H 2 12 LEU QD 4.500 . 4.500 2.577 2.389 2.884 . 0 0 "[ . 1]" 3
1145 2 12 LEU HA 2 12 LEU QD 3.500 . 3.500 1.887 1.852 1.921 . 0 0 "[ . 1]" 3
1146 2 13 LEU QD 2 14 ILE H 4.500 . 4.500 3.805 3.699 3.894 . 0 0 "[ . 1]" 3
1147 2 14 ILE HA 2 14 ILE QG . . 3.500 2.283 2.066 2.470 . 0 0 "[ . 1]" 3
1148 2 13 LEU H 2 14 ILE MD 4.500 . 4.500 4.537 3.926 5.177 0.677 5 5 "[ *-+* *1]" 3
1149 2 14 ILE MD 2 15 ILE H 4.500 . 4.500 4.341 4.229 4.460 . 0 0 "[ . 1]" 3
1150 2 14 ILE HB 2 16 ALA H 5.500 . 5.500 4.962 4.780 5.148 . 0 0 "[ . 1]" 3
1151 2 14 ILE HB 2 15 ILE H 3.500 . 3.500 2.614 2.321 2.924 . 0 0 "[ . 1]" 3
1152 2 15 ILE H 2 18 ILE QG 6.500 . 6.500 4.936 4.699 5.050 . 0 0 "[ . 1]" 3
1153 2 15 ILE MG 2 16 ALA H 3.500 . 3.500 3.743 3.691 3.809 0.309 6 0 "[ . 1]" 3
1154 2 17 VAL HA 2 20 VAL HB 4.500 . 5.000 4.399 4.291 4.515 . 0 0 "[ . 1]" 3
1155 2 14 ILE H 2 17 VAL QG 4.500 . 4.500 4.312 4.124 4.471 . 0 0 "[ . 1]" 3
1156 2 21 LEU H 2 21 LEU QB 3.500 . 3.500 2.728 2.688 2.768 . 0 0 "[ . 1]" 3
1157 2 29 GLY QA 2 31 ILE HB 4.500 . 4.500 4.654 4.353 5.092 0.592 1 2 "[+ - . 1]" 3
1158 2 36 GLY QA 2 39 ILE MD . . 4.500 4.193 3.418 4.824 0.324 3 0 "[ . 1]" 3
1159 2 39 ILE HA 2 42 PHE QD 5.500 . 5.500 2.464 2.018 2.961 . 0 0 "[ . 1]" 3
1160 2 39 ILE MD 2 42 PHE QB 5.500 . 5.500 4.054 2.977 6.584 1.084 5 1 "[ + 1]" 3
1161 2 46 MET QB 2 47 SER HA 4.500 . 4.500 4.355 4.148 4.552 0.052 1 0 "[ . 1]" 3
1162 2 35 LEU HA 2 37 ALA MB 6.500 . 6.500 5.213 5.111 5.341 . 0 0 "[ . 1]" 3
1163 2 35 LEU HA 2 37 ALA H 4.500 . 4.500 4.590 4.513 4.765 0.265 2 0 "[ . 1]" 3
1164 2 35 LEU QD 2 38 SER QB 3.500 . 3.500 3.457 2.780 3.916 0.416 2 0 "[ . 1]" 3
1165 2 34 ASP QB 2 35 LEU QD . . 4.500 3.448 3.025 3.912 . 0 0 "[ . 1]" 3
1166 2 12 LEU HA 2 15 ILE MD 4.500 . 4.500 2.789 2.555 3.134 . 0 0 "[ . 1]" 3
1167 2 31 ILE HA 2 31 ILE MD 4.500 . 4.500 4.067 3.773 4.171 . 0 0 "[ . 1]" 3
1168 2 31 ILE MD 2 32 GLY H . . 4.500 4.243 3.973 4.876 0.376 3 0 "[ . 1]" 3
1169 2 39 ILE MD 2 40 LYS H 4.000 . 4.500 4.823 4.683 5.044 0.544 5 1 "[ + 1]" 3
1170 2 39 ILE MD 2 42 PHE H 4.500 . 4.500 5.019 4.534 6.509 2.009 5 3 "[ -+ *]" 3
1171 2 15 ILE HA 2 18 ILE QG 5.000 . 5.000 3.448 3.161 3.668 . 0 0 "[ . 1]" 3
1172 2 39 ILE HA 2 42 PHE HA 4.500 . 4.500 3.719 3.703 3.732 . 0 0 "[ . 1]" 3
1173 2 43 LYS QB 2 44 LYS HA 4.500 . 4.500 4.084 3.936 4.278 . 0 0 "[ . 1]" 3
1174 2 9 ILE MG 2 10 TRP QB 4.500 . 5.000 4.789 4.502 5.118 0.118 7 0 "[ . 1]" 3
1175 2 9 ILE MG 2 11 GLN H 5.500 . 5.500 5.428 5.313 5.599 0.099 7 0 "[ . 1]" 3
1176 2 10 TRP HA 2 13 LEU QB 3.500 . 3.500 3.269 3.108 3.482 . 0 0 "[ . 1]" 3
1177 2 16 ALA MB 2 17 VAL HA 4.500 . 4.500 3.592 3.557 3.633 . 0 0 "[ . 1]" 3
1178 2 42 PHE QB 2 45 ALA MB 4.500 . 4.500 4.918 3.939 5.467 0.967 2 4 "[*+ . -* 1]" 3
1179 2 34 ASP QB 2 37 ALA MB 4.500 . 4.500 5.034 4.808 5.262 0.762 2 5 "[ + .* *-*]" 3
1180 2 37 ALA MB 2 40 LYS QB 4.000 . 4.000 4.844 4.676 5.004 1.004 10 10 [**-******+] 3
1181 2 37 ALA HA 2 40 LYS HA 5.500 . 5.500 5.751 5.584 5.891 0.391 9 0 "[ . 1]" 3
1182 2 36 GLY QA 2 37 ALA HA 5.500 . 5.500 3.971 3.959 3.987 . 0 0 "[ . 1]" 3
1183 2 10 TRP H 2 14 ILE MD 6.000 . 6.500 5.432 4.989 5.820 . 0 0 "[ . 1]" 3
1184 2 10 TRP HH2 2 14 ILE MD 5.500 . 6.000 4.174 3.682 5.512 . 0 0 "[ . 1]" 3
1185 2 8 SER QB 2 9 ILE MG 4.500 . 4.500 5.258 4.837 5.941 1.441 3 7 "[**+*. **-]" 3
1186 2 9 ILE MG 2 10 TRP HE3 5.500 . 6.000 6.940 6.298 7.318 1.318 7 9 "[*** -*+***]" 3
1187 2 39 ILE MD 2 42 PHE QD 4.500 . 4.500 2.941 2.216 5.255 0.755 5 1 "[ + 1]" 3
1188 2 35 LEU HA 2 39 ILE MD 5.500 . 5.500 5.168 4.212 6.207 0.707 5 1 "[ + 1]" 3
1189 2 39 ILE MD 2 39 ILE MG 3.500 . 3.500 3.121 2.059 3.254 . 0 0 "[ . 1]" 3
1190 2 39 ILE MG 2 42 PHE QD 4.500 . 5.000 4.510 3.977 5.363 0.363 5 0 "[ . 1]" 3
1191 2 39 ILE MG 2 42 PHE QB 4.500 . 4.500 5.460 4.674 6.606 2.106 5 8 "[* **+*- **]" 3
1192 2 38 SER HA 2 41 GLY QA 5.500 . 5.500 3.739 3.248 4.072 . 0 0 "[ . 1]" 3
1193 2 41 GLY QA 2 42 PHE QB . . 4.500 4.221 4.171 4.285 . 0 0 "[ . 1]" 3
1194 2 11 GLN HA 2 12 LEU H 4.500 . 4.500 3.043 2.937 3.128 . 0 0 "[ . 1]" 3
1195 2 11 GLN HA 2 11 GLN QG 3.500 . 3.500 2.402 2.324 2.534 . 0 0 "[ . 1]" 3
1196 2 21 LEU H 2 21 LEU HG 4.000 . 4.500 2.144 2.058 2.212 . 0 0 "[ . 1]" 3
1197 2 21 LEU HA 2 21 LEU HG . . 3.500 3.678 3.660 3.706 0.206 9 0 "[ . 1]" 3
1198 2 17 VAL HB 2 21 LEU QD 6.500 . 6.500 5.103 4.979 5.287 . 0 0 "[ . 1]" 3
1199 2 20 VAL HB 2 21 LEU QD 6.500 . 6.500 3.154 2.993 3.323 . 0 0 "[ . 1]" 3
1200 2 16 ALA MB 2 19 VAL HB 5.500 . 5.500 4.200 4.037 4.447 . 0 0 "[ . 1]" 3
1201 2 16 ALA HA 2 17 VAL QG . . 5.500 4.796 4.737 4.846 . 0 0 "[ . 1]" 3
1202 2 9 ILE HA 2 12 LEU QB 4.500 . 4.500 2.128 1.933 2.588 . 0 0 "[ . 1]" 3
1203 2 33 SER QB 2 34 ASP QB 5.500 . 5.500 4.192 3.866 4.441 . 0 0 "[ . 1]" 3
1204 2 34 ASP QB 2 35 LEU HG 6.000 . 6.000 4.091 3.094 5.495 . 0 0 "[ . 1]" 3
1205 2 31 ILE QG 2 34 ASP QB 6.500 . 6.500 3.782 3.253 4.112 . 0 0 "[ . 1]" 3
1206 2 9 ILE MG 2 13 LEU QB 4.500 . 4.500 3.205 2.998 3.480 . 0 0 "[ . 1]" 3
1207 2 10 TRP HA 2 10 TRP HH2 7.000 . 7.000 6.716 6.400 6.955 . 0 0 "[ . 1]" 3
1208 2 11 GLN QB 2 14 ILE H 5.500 . 5.500 4.789 4.639 4.981 . 0 0 "[ . 1]" 3
1209 2 26 LYS HA 2 26 LYS QD 4.500 . 4.500 4.098 3.688 4.206 . 0 0 "[ . 1]" 3
1210 2 13 LEU QB 2 16 ALA MB 4.500 . 4.500 4.113 4.067 4.154 . 0 0 "[ . 1]" 3
1211 2 10 TRP HE3 2 13 LEU QD . . 4.500 5.919 5.258 6.404 1.904 7 10 [***-**+***] 3
1212 2 14 ILE HB 2 14 ILE MD 3.500 . 3.500 2.327 2.199 2.409 . 0 0 "[ . 1]" 3
1213 2 10 TRP QB 2 14 ILE MD 4.500 . 5.000 4.021 3.316 4.497 . 0 0 "[ . 1]" 3
1214 2 39 ILE MG 2 43 LYS QG 3.500 . 3.500 5.381 4.722 6.181 2.681 2 10 [*+****-***] 3
1215 2 15 ILE QG 2 15 ILE MG 2.800 . 2.800 2.153 2.100 2.205 . 0 0 "[ . 1]" 3
1216 2 14 ILE HA 2 17 VAL QG 2.800 . 3.300 1.849 1.824 1.861 . 0 0 "[ . 1]" 3
1217 2 21 LEU QB 2 22 LEU QD 6.500 . 6.500 3.819 3.677 3.998 . 0 0 "[ . 1]" 3
1218 2 28 LEU HG 2 31 ILE MD 6.500 . 6.500 4.514 3.067 6.672 0.172 1 0 "[ . 1]" 3
1219 2 27 LYS HA 2 27 LYS QG 3.500 . 3.500 2.656 2.355 2.990 . 0 0 "[ . 1]" 3
1220 2 38 SER HA 2 38 SER QB . . 2.800 2.362 2.338 2.385 . 0 0 "[ . 1]" 3
1221 2 22 LEU HA 2 22 LEU HG 4.500 . 4.500 3.299 3.241 3.351 . 0 0 "[ . 1]" 3
1222 2 11 GLN HA 2 14 ILE HB 4.500 . 4.500 2.897 2.338 3.361 . 0 0 "[ . 1]" 3
1223 2 32 GLY QA 2 33 SER HA 4.500 . 4.500 4.009 3.994 4.020 . 0 0 "[ . 1]" 3
1224 2 41 GLY QA 2 44 LYS QE 5.500 . 5.500 5.189 4.627 5.727 0.227 10 0 "[ . 1]" 3
1225 2 40 LYS QG 2 41 GLY QA 4.500 . 4.500 3.167 2.973 3.235 . 0 0 "[ . 1]" 3
1226 2 8 SER QB 2 12 LEU H 6.000 . 6.000 4.482 3.647 5.350 . 0 0 "[ . 1]" 3
1227 2 8 SER QB 2 11 GLN H . . 5.000 3.587 2.673 5.949 0.949 4 1 "[ +. 1]" 3
1228 2 8 SER QB 2 11 GLN QE 6.500 . 6.500 3.681 2.266 6.013 . 0 0 "[ . 1]" 3
1229 2 8 SER QB 2 10 TRP QB 6.500 . 6.500 3.481 2.629 6.136 . 0 0 "[ . 1]" 3
1230 2 9 ILE HB 2 10 TRP HA 5.500 . 5.500 4.147 4.089 4.202 . 0 0 "[ . 1]" 3
1231 2 8 SER QB 2 9 ILE HB . . 4.500 4.624 3.916 5.696 1.196 2 4 "[ +**. - 1]" 3
1232 2 10 TRP HA 2 12 LEU H 5.500 . 5.500 4.098 3.950 4.217 . 0 0 "[ . 1]" 3
1233 2 9 ILE HB 2 10 TRP QB 5.000 . 5.000 4.049 3.839 4.345 . 0 0 "[ . 1]" 3
1234 2 10 TRP H 2 11 GLN HA 6.500 . 6.500 5.488 5.405 5.577 . 0 0 "[ . 1]" 3
1235 2 11 GLN HA 2 11 GLN QE 5.500 . 5.500 4.619 4.092 4.927 . 0 0 "[ . 1]" 3
1236 2 10 TRP QB 2 11 GLN HA 6.500 . 6.500 3.745 3.656 3.849 . 0 0 "[ . 1]" 3
1237 2 11 GLN HA 2 12 LEU HA 4.500 . 4.500 4.817 4.762 4.846 0.346 2 0 "[ . 1]" 3
1238 2 11 GLN HA 2 14 ILE HA 6.500 . 7.000 5.347 5.122 5.614 . 0 0 "[ . 1]" 3
1239 2 11 GLN HA 2 14 ILE QG 5.500 . 5.500 3.392 2.625 4.310 . 0 0 "[ . 1]" 3
1240 2 11 GLN HA 2 12 LEU QB 5.500 . 5.500 5.218 5.151 5.348 . 0 0 "[ . 1]" 3
1241 2 11 GLN HA 2 15 ILE QG 6.500 . 6.500 4.307 3.897 4.710 . 0 0 "[ . 1]" 3
1242 2 11 GLN QG 2 12 LEU H 6.500 . 6.500 4.242 3.982 4.457 . 0 0 "[ . 1]" 3
1243 2 9 ILE HA 2 12 LEU HA 6.500 . 7.000 5.054 4.797 5.541 . 0 0 "[ . 1]" 3
1244 2 9 ILE MG 2 13 LEU QD 3.500 . 4.000 3.717 3.484 3.925 . 0 0 "[ . 1]" 3
1245 2 11 GLN H 2 12 LEU QD 6.500 . 6.500 4.258 4.000 4.631 . 0 0 "[ . 1]" 3
1246 2 10 TRP HA 2 13 LEU HA 5.500 . 6.000 6.003 5.866 6.171 0.171 9 0 "[ . 1]" 3
1247 2 13 LEU HA 2 16 ALA HA 5.500 . 5.500 5.085 5.011 5.140 . 0 0 "[ . 1]" 3
1248 2 13 LEU HA 2 14 ILE HA 5.500 . 5.500 4.836 4.803 4.865 . 0 0 "[ . 1]" 3
1249 2 13 LEU QB 2 14 ILE HA . . 4.500 3.717 3.696 3.737 . 0 0 "[ . 1]" 3
1250 2 10 TRP QB 2 13 LEU QB 5.500 . 5.500 4.932 4.807 5.072 . 0 0 "[ . 1]" 3
1251 2 10 TRP HA 2 13 LEU HG . . 4.500 5.177 4.858 5.633 1.133 7 8 "[ ****-+ **]" 3
1252 2 10 TRP HH2 2 13 LEU QD 5.500 . 6.000 6.830 6.180 7.672 1.672 7 8 "[**- .*+***]" 3
1253 2 10 TRP H 2 13 LEU QD 6.500 . 6.500 5.956 5.798 6.081 . 0 0 "[ . 1]" 3
1254 2 13 LEU QD 2 14 ILE HA 5.500 . 5.500 3.983 3.827 4.114 . 0 0 "[ . 1]" 3
1255 2 13 LEU QD 2 16 ALA MB 4.500 . 4.500 2.301 2.157 2.394 . 0 0 "[ . 1]" 3
1256 2 13 LEU QD 2 14 ILE QG 5.500 . 6.000 4.371 4.041 4.804 . 0 0 "[ . 1]" 3
1257 2 13 LEU QD 2 17 VAL QG 4.500 . 4.500 1.983 1.929 2.031 . 0 0 "[ . 1]" 3
1258 2 38 SER HA 2 39 ILE HB . . 5.500 5.632 5.524 5.759 0.259 5 0 "[ . 1]" 3
1259 2 35 LEU HA 2 39 ILE HB 6.500 . 6.500 4.743 4.529 4.902 . 0 0 "[ . 1]" 3
1260 2 39 ILE HB 2 42 PHE QB 6.500 . 6.500 5.723 4.803 6.917 0.417 5 0 "[ . 1]" 3
1261 2 39 ILE HB 2 40 LYS QB 4.500 . 4.500 5.345 4.942 5.533 1.033 2 9 "[*+* *****-]" 3
1262 2 43 LYS QG 2 47 SER QB 5.500 . 6.000 5.859 3.942 7.348 1.348 7 3 "[ * - + 1]" 3
1263 2 14 ILE HA 2 16 ALA H 6.500 . 6.500 4.487 4.408 4.555 . 0 0 "[ . 1]" 3
1264 2 14 ILE HA 2 18 ILE H 5.500 . 5.500 4.478 4.245 4.633 . 0 0 "[ . 1]" 3
1265 2 14 ILE HA 2 15 ILE H 5.500 . 5.500 3.563 3.554 3.571 . 0 0 "[ . 1]" 3
1266 2 14 ILE HA 2 16 ALA MB 5.500 . 5.500 4.908 4.839 4.970 . 0 0 "[ . 1]" 3
1267 2 12 LEU HA 2 14 ILE HB 6.000 . 6.000 4.794 4.649 4.941 . 0 0 "[ . 1]" 3
1268 2 11 GLN QB 2 14 ILE HB 5.500 . 6.000 4.023 3.712 4.334 . 0 0 "[ . 1]" 3
1269 2 13 LEU QB 2 14 ILE HB 5.500 . 5.500 4.664 4.405 4.895 . 0 0 "[ . 1]" 3
1270 2 14 ILE HB 2 16 ALA MB 6.500 . 6.500 5.964 5.873 6.032 . 0 0 "[ . 1]" 3
1271 2 14 ILE QG 2 17 VAL QG . . 4.500 4.078 3.886 4.323 . 0 0 "[ . 1]" 3
1272 2 14 ILE MD 2 16 ALA H 6.000 . 6.000 6.018 5.536 6.445 0.445 5 0 "[ . 1]" 3
1273 2 10 TRP HA 2 14 ILE MD 4.500 . 4.500 4.413 3.525 5.186 0.686 6 2 "[ -.+ 1]" 3
1274 2 12 LEU HA 2 14 ILE MD 5.500 . 6.000 5.815 5.345 6.060 0.060 7 0 "[ . 1]" 3
1275 2 11 GLN QB 2 14 ILE MD 5.500 . 5.500 3.918 3.336 4.701 . 0 0 "[ . 1]" 3
1276 2 14 ILE MG 2 18 ILE H 5.500 . 5.500 3.600 3.479 3.723 . 0 0 "[ . 1]" 3
1277 2 18 ILE HA 2 18 ILE QG 3.500 . 3.500 2.493 2.380 2.536 . 0 0 "[ . 1]" 3
1278 2 18 ILE HA 2 22 LEU HG 6.500 . 7.000 4.259 4.019 4.494 . 0 0 "[ . 1]" 3
1279 2 18 ILE HA 2 21 LEU QB 4.500 . 4.500 4.765 4.637 4.891 0.391 3 0 "[ . 1]" 3
1280 2 15 ILE HB 2 19 VAL H 7.000 . 7.000 5.552 5.451 5.598 . 0 0 "[ . 1]" 3
1281 2 12 LEU H 2 15 ILE HB 5.500 . 5.500 4.959 4.877 5.115 . 0 0 "[ . 1]" 3
1282 2 12 LEU QB 2 15 ILE HB 5.500 . 5.500 5.082 4.611 5.406 . 0 0 "[ . 1]" 3
1283 2 15 ILE HB 2 16 ALA MB 4.500 . 4.500 4.037 3.986 4.076 . 0 0 "[ . 1]" 3
1284 2 12 LEU HA 2 15 ILE MG 3.500 . 4.000 4.760 4.633 4.964 0.964 7 10 [-*****+***] 3
1285 2 16 ALA HA 2 17 VAL HA 6.500 . 6.500 4.840 4.814 4.870 . 0 0 "[ . 1]" 3
1286 2 17 VAL HA 2 21 LEU HG 6.500 . 6.500 6.944 6.806 7.077 0.577 3 3 "[ + . -*1]" 3
1287 2 17 VAL HA 2 18 ILE QG 6.500 . 6.500 4.865 4.761 5.035 . 0 0 "[ . 1]" 3
1288 2 17 VAL QG 2 18 ILE HA 4.500 . 4.500 3.298 3.218 3.372 . 0 0 "[ . 1]" 3
1289 2 18 ILE HB 2 19 VAL HA 6.500 . 6.500 4.128 4.057 4.288 . 0 0 "[ . 1]" 3
1290 2 18 ILE HB 2 19 VAL QG 6.500 . 6.500 3.934 3.679 4.308 . 0 0 "[ . 1]" 3
1291 2 20 VAL HB 2 21 LEU HA 5.500 . 5.500 4.126 4.052 4.204 . 0 0 "[ . 1]" 3
1292 2 16 ALA MB 2 20 VAL HB 5.500 . 6.000 4.113 4.067 4.172 . 0 0 "[ . 1]" 3
1293 2 20 VAL HB 2 21 LEU HG 5.500 . 5.500 4.943 4.804 5.127 . 0 0 "[ . 1]" 3
1294 2 18 ILE HA 2 21 LEU HA 6.000 . 6.000 6.302 6.180 6.437 0.437 3 0 "[ . 1]" 3
1295 2 20 VAL QG 2 21 LEU HA 4.500 . 4.500 3.803 3.634 3.878 . 0 0 "[ . 1]" 3
1296 2 20 VAL QG 2 21 LEU QB 4.500 . 4.500 4.322 4.235 4.386 . 0 0 "[ . 1]" 3
1297 2 18 ILE HA 2 21 LEU HG 5.500 . 5.500 3.307 3.117 3.520 . 0 0 "[ . 1]" 3
1298 2 19 VAL HA 2 21 LEU HG 5.500 . 5.500 4.563 4.480 4.657 . 0 0 "[ . 1]" 3
1299 2 21 LEU HG 2 22 LEU QB 6.500 . 6.500 4.297 4.160 4.481 . 0 0 "[ . 1]" 3
1300 2 21 LEU HG 2 22 LEU QD 6.000 . 6.500 2.698 2.568 2.750 . 0 0 "[ . 1]" 3
1301 2 17 VAL HA 2 21 LEU QD 5.500 . 6.000 4.416 4.335 4.525 . 0 0 "[ . 1]" 3
1302 2 21 LEU QD 2 22 LEU HG 5.500 2.300 6.500 3.684 3.572 3.855 . 0 0 "[ . 1]" 3
1303 2 18 ILE MD 2 21 LEU QD 6.500 . 6.500 2.613 2.371 2.792 . 0 0 "[ . 1]" 3
1304 2 19 VAL HA 2 22 LEU QB 5.500 . 5.500 2.521 2.378 2.651 . 0 0 "[ . 1]" 3
1305 2 18 ILE HB 2 22 LEU QD 6.000 . 6.500 3.682 3.435 4.023 . 0 0 "[ . 1]" 3
1306 2 26 LYS QB 2 26 LYS QD 3.500 . 3.500 2.233 2.045 2.314 . 0 0 "[ . 1]" 3
1307 2 27 LYS HA 2 27 LYS QD 4.500 . 4.500 2.192 1.943 2.653 . 0 0 "[ . 1]" 3
1308 2 27 LYS QB 2 27 LYS QE 3.500 . 3.500 2.582 2.034 3.643 0.143 6 0 "[ . 1]" 3
1309 2 26 LYS QB 2 27 LYS QE 6.000 . 7.000 5.493 4.991 5.900 . 0 0 "[ . 1]" 3
1310 2 30 SER HA 2 31 ILE HA 4.500 . 4.500 4.720 4.694 4.757 0.257 10 0 "[ . 1]" 3
1311 2 30 SER HA 2 31 ILE HB 6.500 . 6.500 6.465 5.787 6.668 0.168 10 0 "[ . 1]" 3
1312 2 30 SER HA 2 31 ILE QG 5.500 . 6.000 5.665 5.262 6.429 0.429 1 0 "[ . 1]" 3
1313 2 30 SER HA 2 31 ILE MD 6.500 . 7.000 6.926 6.693 7.255 0.255 1 0 "[ . 1]" 3
1314 2 30 SER QB 2 32 GLY H 5.500 . 5.500 4.501 4.201 4.686 . 0 0 "[ . 1]" 3
1315 2 30 SER QB 2 31 ILE HA 4.500 . 4.500 3.797 3.729 3.889 . 0 0 "[ . 1]" 3
1316 2 30 SER QB 2 31 ILE HB 5.000 . 5.000 4.938 3.682 5.367 0.367 6 0 "[ . 1]" 3
1317 2 30 SER QB 2 31 ILE MD 5.500 . 5.500 5.532 5.293 5.818 0.318 1 0 "[ . 1]" 3
1318 2 30 SER H 2 31 ILE HA 6.500 . 6.500 5.151 4.980 5.413 . 0 0 "[ . 1]" 3
1319 2 27 LYS QD 2 31 ILE HB 6.500 . 7.000 4.235 3.497 5.129 . 0 0 "[ . 1]" 3
1320 2 31 ILE HB 2 31 ILE MD 3.500 . 3.500 2.375 2.329 2.521 . 0 0 "[ . 1]" 3
1321 2 28 LEU QB 2 31 ILE QG 6.500 . 6.500 4.303 3.409 6.481 . 0 0 "[ . 1]" 3
1322 2 31 ILE QG 2 31 ILE MG 2.800 . 2.800 2.256 2.148 2.401 . 0 0 "[ . 1]" 3
1323 2 11 GLN HA 2 14 ILE MG 5.500 . 6.000 4.111 3.447 4.464 . 0 0 "[ . 1]" 3
1324 2 33 SER HA 2 36 GLY QA 5.500 . 5.500 3.330 3.146 3.519 . 0 0 "[ . 1]" 3
1325 2 34 ASP QB 2 35 LEU H 4.500 . 4.500 2.513 2.423 2.567 . 0 0 "[ . 1]" 3
1326 2 35 LEU HA 2 39 ILE H . . 4.500 4.323 4.165 4.607 0.107 1 0 "[ . 1]" 3
1327 2 35 LEU HA 2 36 GLY QA . . 5.500 4.461 4.442 4.473 . 0 0 "[ . 1]" 3
1328 2 35 LEU QB 2 38 SER QB 5.500 . 5.500 4.017 3.811 4.287 . 0 0 "[ . 1]" 3
1329 2 35 LEU HG 2 36 GLY H 5.500 . 5.500 4.714 4.318 5.031 . 0 0 "[ . 1]" 3
1330 2 35 LEU QD 2 36 GLY QA . . 5.500 4.718 4.628 4.777 . 0 0 "[ . 1]" 3
1331 2 31 ILE HB 2 35 LEU QD 6.500 . 6.500 3.448 2.653 4.745 . 0 0 "[ . 1]" 3
1332 2 31 ILE QG 2 35 LEU QD 5.500 . 6.000 3.163 2.077 3.945 . 0 0 "[ . 1]" 3
1333 2 35 LEU QD 2 39 ILE QG 5.500 . 5.500 5.522 4.922 6.087 0.587 6 1 "[ .+ 1]" 3
1334 2 35 LEU HA 2 36 GLY QA 4.500 . 4.500 3.712 3.701 3.723 . 0 0 "[ . 1]" 3
1335 2 36 GLY QA 2 37 ALA MB 4.500 . 4.500 4.036 3.986 4.072 . 0 0 "[ . 1]" 3
1336 2 37 ALA HA 2 40 LYS QE 5.500 . 5.500 2.433 2.298 2.582 . 0 0 "[ . 1]" 3
1337 2 37 ALA HA 2 40 LYS QG 4.500 . 4.500 2.396 2.247 2.723 . 0 0 "[ . 1]" 3
1338 2 37 ALA MB 2 40 LYS QG 5.000 . 5.000 3.438 3.337 3.618 . 0 0 "[ . 1]" 3
1339 2 36 GLY QA 2 38 SER HA 6.500 . 6.500 5.913 5.858 5.961 . 0 0 "[ . 1]" 3
1340 2 37 ALA MB 2 38 SER HA 4.500 . 4.500 4.012 3.982 4.043 . 0 0 "[ . 1]" 3
1341 2 37 ALA MB 2 38 SER QB 4.500 . 4.500 4.552 4.517 4.602 0.102 3 0 "[ . 1]" 3
1342 2 38 SER QB 2 39 ILE QG 5.500 . 5.500 5.410 5.190 5.518 0.018 6 0 "[ . 1]" 3
1343 2 36 GLY H 2 39 ILE MD 5.500 . 6.000 5.816 4.835 6.509 0.509 3 1 "[ + . 1]" 3
1344 2 40 LYS HA 2 42 PHE QB 6.500 . 6.500 5.889 5.083 7.017 0.517 5 1 "[ + 1]" 3
1345 2 42 PHE HA 2 43 LYS QG 6.000 . 6.000 6.291 5.074 6.674 0.674 8 3 "[ * +-1]" 3
1346 2 42 PHE HA 2 45 ALA HA 6.500 . 6.500 6.278 5.434 6.771 0.271 8 0 "[ . 1]" 3
1347 2 42 PHE QB 2 44 LYS H 4.500 . 4.500 4.721 4.545 4.968 0.468 9 0 "[ . 1]" 3
1348 2 42 PHE QB 2 43 LYS QD 5.500 . 5.500 5.154 4.361 5.482 . 0 0 "[ . 1]" 3
1349 2 42 PHE H 2 43 LYS HA 5.500 . 5.500 5.260 5.167 5.333 . 0 0 "[ . 1]" 3
1350 2 42 PHE QD 2 43 LYS HA 4.500 . 4.500 3.934 3.264 4.144 . 0 0 "[ . 1]" 3
1351 2 43 LYS HA 2 44 LYS HA 4.500 . 4.500 4.705 4.589 4.809 0.309 2 0 "[ . 1]" 3
1352 2 43 LYS HA 2 46 MET QG 4.500 . 4.500 3.298 2.106 4.108 . 0 0 "[ . 1]" 3
1353 2 39 ILE MG 2 43 LYS HA 5.500 . 5.500 6.667 6.424 6.943 1.443 2 10 [*+-*******] 3
1354 2 42 PHE QD 2 43 LYS QG 4.500 . 4.500 4.562 2.309 5.041 0.541 9 2 "[ -. +1]" 3
1355 2 41 GLY QA 2 45 ALA MB 4.500 . 4.500 4.876 4.531 5.298 0.798 4 4 "[* +. -*]" 3
1356 2 45 ALA MB 2 46 MET QG 4.500 . 4.500 3.293 3.027 3.584 . 0 0 "[ . 1]" 3
1357 2 44 LYS QD 2 45 ALA MB 5.500 . 5.500 5.519 4.890 5.857 0.357 1 0 "[ . 1]" 3
1358 2 44 LYS QE 2 45 ALA MB 6.000 . 6.000 6.370 5.197 6.995 0.995 1 5 "[+ **- *]" 3
1359 2 43 LYS HA 2 46 MET HA 5.500 . 5.500 5.359 4.930 5.821 0.321 3 0 "[ . 1]" 3
1360 2 45 ALA MB 2 46 MET HA 4.500 . 4.500 4.054 3.892 4.159 . 0 0 "[ . 1]" 3
1361 2 42 PHE QD 2 46 MET QG 4.500 . 4.500 4.208 3.434 5.541 1.041 8 2 "[ . +-1]" 3
1362 2 46 MET H 2 46 MET ME 5.500 . 5.500 4.132 3.383 4.834 . 0 0 "[ . 1]" 3
1363 2 44 LYS HA 2 46 MET ME 6.500 . 7.000 6.521 5.548 7.478 0.478 1 0 "[ . 1]" 3
1364 2 47 SER HA 2 48 ASP QB 5.500 . 5.500 4.335 4.044 4.607 . 0 0 "[ . 1]" 3
1365 2 43 LYS QG 2 47 SER HA 5.500 . 6.000 5.475 3.963 6.972 0.972 7 1 "[ . + 1]" 3
1366 2 47 SER QB 2 48 ASP HA 5.500 . 5.500 4.349 4.099 4.585 . 0 0 "[ . 1]" 3
1367 2 14 ILE MD 2 16 ALA MB 6.500 . 6.500 6.211 5.545 6.749 0.249 5 0 "[ . 1]" 3
1368 2 29 GLY H 2 29 GLY QA . . 2.800 2.187 2.173 2.209 . 0 0 "[ . 1]" 3
1369 2 27 LYS H 2 27 LYS QG . . 4.000 2.512 2.082 3.431 . 0 0 "[ . 1]" 3
1370 2 35 LEU QB 2 36 GLY QA 4.500 . 4.500 3.645 3.580 3.714 . 0 0 "[ . 1]" 3
1371 2 13 LEU HA 2 17 VAL HA 6.500 . 7.000 5.764 5.670 5.835 . 0 0 "[ . 1]" 3
1372 2 14 ILE HA 2 18 ILE MG 6.500 . 6.500 6.546 6.349 6.642 0.142 6 0 "[ . 1]" 3
1373 2 14 ILE HA 2 15 ILE MG 6.500 . 6.500 6.121 6.097 6.135 . 0 0 "[ . 1]" 3
1374 2 20 VAL HA 2 21 LEU QD . . 6.000 4.745 4.611 4.813 . 0 0 "[ . 1]" 3
1375 2 19 VAL HA 2 21 LEU QD 6.500 . 6.500 4.708 4.619 4.828 . 0 0 "[ . 1]" 3
1376 2 13 LEU QB 2 14 ILE MG 5.500 . 6.000 5.125 5.037 5.187 . 0 0 "[ . 1]" 3
1377 2 35 LEU QD 2 39 ILE H 6.500 . 6.500 5.144 4.770 5.497 . 0 0 "[ . 1]" 3
1378 2 31 ILE MD 2 35 LEU QD 5.500 . 5.500 3.122 2.169 3.907 . 0 0 "[ . 1]" 3
1379 2 33 SER QB 2 37 ALA MB . . 5.500 5.049 4.480 5.362 . 0 0 "[ . 1]" 3
1380 2 12 LEU HG 2 15 ILE MD 6.000 . 6.500 5.347 4.903 5.907 . 0 0 "[ . 1]" 3
1381 2 12 LEU HA 2 15 ILE QG 5.500 . 5.500 3.369 2.984 3.843 . 0 0 "[ . 1]" 3
1382 2 29 GLY QA 2 31 ILE QG 6.500 . 7.000 4.424 4.099 5.211 . 0 0 "[ . 1]" 3
1383 2 10 TRP HA 2 11 GLN HA 5.500 . 5.500 4.716 4.685 4.751 . 0 0 "[ . 1]" 3
1384 2 18 ILE MG 2 21 LEU H 5.500 . 5.500 4.419 4.269 4.556 . 0 0 "[ . 1]" 3
1385 2 18 ILE MG 2 22 LEU H 5.500 . 5.500 4.116 3.901 4.451 . 0 0 "[ . 1]" 3
1386 2 9 ILE QG 2 10 TRP H 6.500 . 7.000 3.895 3.773 3.988 . 0 0 "[ . 1]" 3
1387 2 18 ILE QG 2 21 LEU QD 5.500 . 5.500 3.317 3.183 3.397 . 0 0 "[ . 1]" 3
1388 2 19 VAL QG 2 20 VAL H . . 4.500 2.810 2.659 2.958 . 0 0 "[ . 1]" 3
1389 2 19 VAL HA 2 21 LEU HG 6.000 . 7.000 4.802 4.706 4.931 . 0 0 "[ . 1]" 3
1390 2 20 VAL HA 2 21 LEU HG 6.000 . 6.000 5.699 5.624 5.809 . 0 0 "[ . 1]" 3
1391 2 36 GLY QA 2 39 ILE HA 6.500 . 6.500 5.113 4.794 5.355 . 0 0 "[ . 1]" 3
1392 2 16 ALA MB 2 19 VAL QG 5.000 . 5.000 3.959 3.826 4.108 . 0 0 "[ . 1]" 3
1393 2 18 ILE QG 2 21 LEU QB 6.500 . 6.500 6.195 6.026 6.306 . 0 0 "[ . 1]" 3
1394 2 15 ILE QG 2 16 ALA MB . . 5.500 5.078 4.984 5.156 . 0 0 "[ . 1]" 3
1395 2 20 VAL HA 2 21 LEU QB 5.500 . 5.500 5.527 5.492 5.557 0.057 5 0 "[ . 1]" 3
1396 2 16 ALA MB 2 20 VAL HA 6.500 . 6.500 6.510 6.331 6.692 0.192 9 0 "[ . 1]" 3
1397 2 19 VAL HA 2 21 LEU QB 6.500 . 6.500 6.347 6.265 6.462 . 0 0 "[ . 1]" 3
1398 2 15 ILE H 2 17 VAL QG 6.500 . 6.500 4.940 4.822 5.040 . 0 0 "[ . 1]" 3
1399 2 18 ILE H 2 20 VAL QG 6.500 . 6.500 4.252 4.117 4.359 . 0 0 "[ . 1]" 3
1400 2 18 ILE H 2 19 VAL QG . . 5.500 4.421 4.243 4.550 . 0 0 "[ . 1]" 3
1401 2 11 GLN QB 2 15 ILE MD 5.500 . 5.500 3.455 3.092 3.901 . 0 0 "[ . 1]" 3
1402 2 17 VAL HB 2 18 ILE MD 5.500 . 5.500 4.617 4.423 4.844 . 0 0 "[ . 1]" 3
1403 2 15 ILE MD 2 16 ALA HA 6.500 . 6.500 5.848 5.795 5.894 . 0 0 "[ . 1]" 3
1404 2 11 GLN HA 2 15 ILE MD . . 5.000 4.868 4.488 5.301 0.301 6 0 "[ . 1]" 3
1405 2 12 LEU H 2 15 ILE MD 5.500 . 5.500 4.692 4.584 4.873 . 0 0 "[ . 1]" 3
1406 2 14 ILE H 2 15 ILE MD 5.500 . 5.500 5.268 5.189 5.352 . 0 0 "[ . 1]" 3
1407 2 13 LEU H 2 15 ILE MD 5.500 . 6.000 5.535 5.425 5.650 . 0 0 "[ . 1]" 3
1408 2 15 ILE MD 2 16 ALA H 4.500 . 4.500 4.460 4.377 4.532 0.032 1 0 "[ . 1]" 3
1409 2 14 ILE MD 2 15 ILE HA 5.500 . 5.500 5.936 5.754 6.127 0.627 7 5 "[** . +- *]" 3
1410 2 10 TRP HZ2 2 14 ILE MD 6.500 . 7.000 5.432 4.592 6.358 . 0 0 "[ . 1]" 3
1411 2 13 LEU QB 2 14 ILE MD 4.500 . 4.500 3.784 2.578 4.698 0.198 6 0 "[ . 1]" 3
1412 2 15 ILE HA 2 19 VAL QG 6.000 . 6.000 4.368 4.045 4.763 . 0 0 "[ . 1]" 3
1413 2 20 VAL QG 2 21 LEU HG 5.500 . 5.500 4.925 4.812 5.055 . 0 0 "[ . 1]" 3
1414 2 19 VAL HB 2 22 LEU QD 6.000 . 7.000 4.538 4.222 4.734 . 0 0 "[ . 1]" 3
1415 2 18 ILE HA 2 22 LEU QD 6.000 . 6.500 4.244 4.160 4.339 . 0 0 "[ . 1]" 3
1416 2 19 VAL QG 2 22 LEU QD 5.500 . 5.500 2.679 2.422 2.861 . 0 0 "[ . 1]" 3
1417 2 31 ILE HB 2 32 GLY QA 4.500 . 4.500 4.710 4.384 5.211 0.711 3 2 "[- + . 1]" 3
1418 2 32 GLY QA 2 35 LEU QB . . 4.500 2.975 2.756 3.182 . 0 0 "[ . 1]" 3
1419 2 31 ILE QG 2 32 GLY QA 5.500 . 5.500 3.054 2.789 3.865 . 0 0 "[ . 1]" 3
1420 2 12 LEU QD 2 16 ALA H 5.500 . 6.000 4.355 3.955 4.750 . 0 0 "[ . 1]" 3
1421 2 12 LEU QD 2 15 ILE H . . 6.000 4.461 4.215 4.638 . 0 0 "[ . 1]" 3
1422 2 10 TRP H 2 13 LEU QD 5.500 . 6.500 5.394 5.226 5.623 . 0 0 "[ . 1]" 3
1423 2 10 TRP HZ2 2 13 LEU QD 6.500 . 7.000 6.697 6.459 7.524 0.524 7 1 "[ . + 1]" 3
1424 2 12 LEU QD 2 13 LEU HA 5.500 . 5.500 4.693 4.275 5.079 . 0 0 "[ . 1]" 3
1425 2 10 TRP QB 2 13 LEU QD . . 4.500 5.649 5.541 5.808 1.308 7 10 [-*****+***] 3
1426 2 12 LEU QD 2 15 ILE HB 5.500 . 5.500 3.578 3.340 3.883 . 0 0 "[ . 1]" 3
1427 2 12 LEU QD 2 16 ALA MB 4.500 . 5.000 3.932 3.578 4.450 . 0 0 "[ . 1]" 3
1428 2 9 ILE QG 2 12 LEU QD 6.000 . 6.500 5.066 4.523 5.524 . 0 0 "[ . 1]" 3
1429 2 9 ILE QG 2 13 LEU QD 6.500 . 6.500 6.147 5.905 6.363 . 0 0 "[ . 1]" 3
1430 2 14 ILE H 2 15 ILE MG 6.500 . 6.500 6.088 6.055 6.139 . 0 0 "[ . 1]" 3
1431 2 12 LEU H 2 15 ILE MG 6.500 . 6.500 6.869 6.730 7.120 0.620 6 1 "[ .+ 1]" 3
1432 2 13 LEU H 2 15 ILE MG 6.500 . 6.500 6.824 6.724 6.957 0.457 6 0 "[ . 1]" 3
1433 2 15 ILE MG 2 17 VAL H 6.500 . 6.500 5.242 5.190 5.303 . 0 0 "[ . 1]" 3
1434 2 15 ILE MG 2 19 VAL HB 5.500 . 5.500 3.765 3.487 4.038 . 0 0 "[ . 1]" 3
1435 2 15 ILE MG 2 17 VAL HB 6.500 . 6.500 6.266 6.221 6.340 . 0 0 "[ . 1]" 3
1436 2 17 VAL HB 2 18 ILE MG 5.500 . 5.500 5.628 5.470 5.793 0.293 5 0 "[ . 1]" 3
1437 2 18 ILE MG 2 19 VAL HB . . 6.000 5.163 4.708 5.351 . 0 0 "[ . 1]" 3
1438 2 18 ILE MG 2 22 LEU QB 6.500 . 7.000 2.371 2.069 2.660 . 0 0 "[ . 1]" 3
1439 2 12 LEU HG 2 15 ILE MG 6.000 . 6.500 7.200 7.079 7.580 1.080 7 10 [***-**+***] 3
1440 2 14 ILE QG 2 18 ILE MG 6.500 . 6.500 7.032 6.528 7.461 0.961 6 6 "[ ***+ -*1]" 3
1441 2 17 VAL HA 2 18 ILE MG 6.500 . 6.500 6.103 6.073 6.137 . 0 0 "[ . 1]" 3
1442 2 14 ILE HA 2 15 ILE MD 6.500 . 6.500 6.328 6.302 6.394 . 0 0 "[ . 1]" 3
1443 2 15 ILE HA 2 15 ILE MD 4.500 . 4.500 3.909 3.884 3.938 . 0 0 "[ . 1]" 3
1444 2 15 ILE HA 2 18 ILE MD 5.000 . 5.000 2.706 2.464 2.851 . 0 0 "[ . 1]" 3
1445 2 18 ILE MD 2 19 VAL HA 5.500 . 5.500 5.794 5.735 5.853 0.353 5 0 "[ . 1]" 3
1446 2 14 ILE HA 2 18 ILE MD 5.500 . 5.500 4.399 4.319 4.499 . 0 0 "[ . 1]" 3
1447 2 17 VAL HA 2 18 ILE MD 6.500 . 6.500 6.292 6.219 6.408 . 0 0 "[ . 1]" 3
1448 2 12 LEU QB 2 15 ILE MD 5.500 . 5.500 4.602 4.209 4.956 . 0 0 "[ . 1]" 3
1449 2 15 ILE MD 2 16 ALA MB 5.500 . 5.500 5.251 5.172 5.323 . 0 0 "[ . 1]" 3
1450 2 14 ILE QG 2 15 ILE MD 6.000 . 6.000 5.919 5.637 6.186 0.186 1 0 "[ . 1]" 3
1451 2 17 VAL H 2 18 ILE MD 5.500 . 5.500 5.284 5.184 5.426 . 0 0 "[ . 1]" 3
1452 2 18 ILE HA 2 19 VAL H 4.500 . 4.500 3.504 3.483 3.518 . 0 0 "[ . 1]" 3
1453 2 15 ILE HA 2 19 VAL H 6.500 . 6.500 4.146 4.065 4.201 . 0 0 "[ . 1]" 3
1454 2 13 LEU H 2 15 ILE HA 6.500 . 6.500 7.085 7.028 7.180 0.680 6 10 [*****+*-**] 3
1455 2 15 ILE HA 2 17 VAL H 5.500 . 5.500 4.489 4.401 4.575 . 0 0 "[ . 1]" 3
1456 2 17 VAL H 2 18 ILE HA 5.500 . 5.500 5.371 5.322 5.418 . 0 0 "[ . 1]" 3
1457 2 14 ILE H 2 15 ILE HA 5.500 . 5.500 5.409 5.384 5.436 . 0 0 "[ . 1]" 3
1458 2 12 LEU HA 2 15 ILE HA 5.500 . 5.500 5.868 5.642 6.133 0.633 7 1 "[ . + 1]" 3
1459 2 15 ILE HA 2 16 ALA HA 5.500 . 5.500 4.873 4.858 4.888 . 0 0 "[ . 1]" 3
1460 2 14 ILE HA 2 15 ILE HA 5.500 . 5.500 4.738 4.698 4.757 . 0 0 "[ . 1]" 3
1461 2 17 VAL HA 2 18 ILE HA 5.500 . 5.500 4.674 4.647 4.705 . 0 0 "[ . 1]" 3
1462 2 18 ILE HA 2 19 VAL HA 5.500 . 5.500 4.845 4.805 4.874 . 0 0 "[ . 1]" 3
1463 2 17 VAL HB 2 18 ILE HA 5.500 . 5.500 4.674 4.572 4.744 . 0 0 "[ . 1]" 3
1464 2 15 ILE HA 2 17 VAL HB 6.500 . 6.500 5.060 4.970 5.210 . 0 0 "[ . 1]" 3
1465 2 11 GLN QB 2 15 ILE HA 6.500 . 6.500 6.705 6.417 7.048 0.548 6 2 "[ -.+ 1]" 3
1466 2 17 VAL HA 2 19 VAL H 5.500 . 5.500 4.516 4.446 4.638 . 0 0 "[ . 1]" 3
1467 2 17 VAL HA 2 18 ILE HB 6.500 . 6.500 5.997 5.874 6.052 . 0 0 "[ . 1]" 3
1468 2 17 VAL H 2 18 ILE QG 5.500 . 5.500 4.190 4.041 4.424 . 0 0 "[ . 1]" 3
1469 2 13 LEU H 2 15 ILE QG 6.500 . 7.000 5.149 4.965 5.296 . 0 0 "[ . 1]" 3
1470 2 15 ILE QG 2 17 VAL H 6.500 . 6.500 5.521 5.451 5.600 . 0 0 "[ . 1]" 3
1471 2 12 LEU H 2 15 ILE QG 5.500 . 6.000 3.897 3.786 4.020 . 0 0 "[ . 1]" 3
1472 2 14 ILE HA 2 18 ILE QG 5.500 . 5.500 3.983 3.830 4.087 . 0 0 "[ . 1]" 3
1473 2 18 ILE QG 2 19 VAL HA 5.500 . 5.500 5.719 5.680 5.754 0.254 5 0 "[ . 1]" 3
1474 2 14 ILE HA 2 15 ILE QG 6.500 . 6.500 4.873 4.819 4.926 . 0 0 "[ . 1]" 3
1475 2 18 ILE QG 2 19 VAL HB 6.000 . 6.000 5.727 5.636 5.851 . 0 0 "[ . 1]" 3
1476 2 17 VAL HB 2 18 ILE QG 5.500 . 5.500 3.247 3.039 3.508 . 0 0 "[ . 1]" 3
1477 2 14 ILE MD 2 15 ILE QG 5.500 . 5.500 4.570 4.148 5.005 . 0 0 "[ . 1]" 3
1478 2 14 ILE MG 2 15 ILE QG 5.500 . 5.500 3.077 2.466 3.503 . 0 0 "[ . 1]" 3
1479 2 14 ILE MG 2 18 ILE QG . . 4.500 3.115 2.912 3.403 . 0 0 "[ . 1]" 3
1480 2 14 ILE MD 2 18 ILE QG 6.500 . 6.500 5.753 5.515 6.183 . 0 0 "[ . 1]" 3
1481 2 8 SER QB 2 12 LEU HG 6.000 . 7.000 5.604 4.009 6.386 . 0 0 "[ . 1]" 3
1482 2 8 SER QB 2 12 LEU QB 5.500 . 5.500 4.853 4.183 5.329 . 0 0 "[ . 1]" 3
1483 2 8 SER QB 2 11 GLN QB 6.500 . 6.500 4.133 2.849 5.449 . 0 0 "[ . 1]" 3
1484 2 8 SER QB 2 9 ILE QG 6.500 . 6.500 4.037 3.300 5.193 . 0 0 "[ . 1]" 3
1485 2 11 GLN HA 2 15 ILE H 6.500 . 6.500 4.459 4.114 4.834 . 0 0 "[ . 1]" 3
1486 2 11 GLN HA 2 12 LEU QD 6.500 . 6.500 4.819 4.658 5.104 . 0 0 "[ . 1]" 3
1487 2 11 GLN HA 2 15 ILE MG 6.500 . 6.500 6.860 6.492 7.221 0.721 6 2 "[ .+ - 1]" 3
1488 2 12 LEU QB 2 15 ILE H 5.500 . 5.500 5.077 4.859 5.173 . 0 0 "[ . 1]" 3
1489 2 11 GLN H 2 12 LEU QB 6.500 . 6.500 4.303 4.116 4.563 . 0 0 "[ . 1]" 3
1490 2 9 ILE MG 2 12 LEU QB . . 4.500 3.370 3.125 3.863 . 0 0 "[ . 1]" 3
1491 2 10 TRP HE3 2 13 LEU QB 5.500 . 5.500 5.201 4.372 5.966 0.466 7 0 "[ . 1]" 3
1492 2 13 LEU QB 2 17 VAL QG 5.500 . 5.500 3.343 3.123 3.493 . 0 0 "[ . 1]" 3
1493 2 13 LEU HA 2 15 ILE H 5.500 . 5.500 4.508 4.412 4.582 . 0 0 "[ . 1]" 3
1494 2 12 LEU H 2 13 LEU HA 5.500 . 5.500 5.283 5.199 5.338 . 0 0 "[ . 1]" 3
1495 2 13 LEU HA 2 17 VAL QG 4.500 . 4.500 3.692 3.489 3.771 . 0 0 "[ . 1]" 3
1496 2 13 LEU HA 2 14 ILE QG 6.500 . 6.500 5.571 5.082 6.173 . 0 0 "[ . 1]" 3
1497 2 13 LEU HA 2 14 ILE MD 5.500 . 6.000 5.708 4.760 6.463 0.463 5 0 "[ . 1]" 3
1498 2 13 LEU HA 2 14 ILE MG 6.500 . 6.500 6.083 5.948 6.148 . 0 0 "[ . 1]" 3
1499 2 12 LEU QD 2 13 LEU H 4.500 . 4.500 4.006 3.960 4.100 . 0 0 "[ . 1]" 3
1500 2 16 ALA HA 2 18 ILE H 6.500 . 6.500 4.371 4.241 4.529 . 0 0 "[ . 1]" 3
1501 2 15 ILE H 2 16 ALA HA 6.500 . 6.500 5.229 5.179 5.274 . 0 0 "[ . 1]" 3
1502 2 16 ALA HA 2 19 VAL HA 5.500 . 5.500 5.491 5.364 5.606 0.106 5 0 "[ . 1]" 3
1503 2 15 ILE HB 2 16 ALA HA 6.500 . 6.500 4.136 4.079 4.180 . 0 0 "[ . 1]" 3
1504 2 15 ILE QG 2 16 ALA HA 6.500 . 6.500 5.717 5.671 5.751 . 0 0 "[ . 1]" 3
1505 2 12 LEU QD 2 16 ALA HA 6.500 . 7.000 5.264 4.942 5.833 . 0 0 "[ . 1]" 3
1506 2 16 ALA HA 2 18 ILE MG 6.500 . 6.500 6.583 6.380 6.677 0.177 2 0 "[ . 1]" 3
1507 2 13 LEU H 2 16 ALA MB 4.500 . 4.500 4.450 4.372 4.524 0.024 6 0 "[ . 1]" 3
1508 2 14 ILE H 2 16 ALA MB 5.500 . 5.500 4.642 4.585 4.680 . 0 0 "[ . 1]" 3
1509 2 12 LEU H 2 16 ALA MB 6.500 . 6.500 6.067 5.961 6.221 . 0 0 "[ . 1]" 3
1510 2 15 ILE HA 2 16 ALA MB 6.500 . 6.500 5.022 5.010 5.032 . 0 0 "[ . 1]" 3
1511 2 16 ALA MB 2 19 VAL HA 6.500 . 6.500 6.485 6.393 6.561 0.061 5 0 "[ . 1]" 3
1512 2 16 ALA MB 2 17 VAL HB 5.500 . 5.500 4.112 3.979 4.191 . 0 0 "[ . 1]" 3
1513 2 12 LEU QB 2 16 ALA MB 5.500 . 5.500 4.065 3.811 4.274 . 0 0 "[ . 1]" 3
1514 2 13 LEU HG 2 16 ALA MB 5.500 . 5.500 4.448 4.294 4.561 . 0 0 "[ . 1]" 3
1515 2 16 ALA MB 2 17 VAL QG 4.500 . 4.500 2.862 2.738 3.018 . 0 0 "[ . 1]" 3
1516 2 16 ALA MB 2 20 VAL QG 5.000 . 5.000 3.756 3.630 3.946 . 0 0 "[ . 1]" 3
1517 2 17 VAL QG 2 20 VAL H 6.500 . 6.500 4.663 4.529 4.795 . 0 0 "[ . 1]" 3
1518 2 18 ILE HA 2 20 VAL QG 6.500 . 6.500 4.495 4.326 4.640 . 0 0 "[ . 1]" 3
1519 2 18 ILE HA 2 19 VAL QG 6.500 . 6.500 5.082 5.022 5.116 . 0 0 "[ . 1]" 3
1520 2 15 ILE HA 2 17 VAL QG 6.000 . 6.000 5.180 5.134 5.261 . 0 0 "[ . 1]" 3
1521 2 17 VAL QG 2 18 ILE HB 6.500 . 6.500 4.727 4.659 4.792 . 0 0 "[ . 1]" 3
1522 2 21 LEU QD 2 22 LEU QB 6.000 . 6.000 4.480 4.386 4.629 . 0 0 "[ . 1]" 3
1523 2 18 ILE MG 2 22 LEU QB 6.000 . 6.000 4.141 3.901 4.352 . 0 0 "[ . 1]" 3
1524 2 19 VAL H 2 22 LEU QD 6.000 . 6.500 4.118 4.022 4.165 . 0 0 "[ . 1]" 3
1525 2 18 ILE QG 2 22 LEU QD 6.500 . 7.000 2.680 2.557 2.726 . 0 0 "[ . 1]" 3
1526 2 30 SER HA 2 31 ILE MG 5.500 . 6.000 4.936 4.731 5.206 . 0 0 "[ . 1]" 3
1527 2 9 ILE MG 2 12 LEU HA 6.500 . 6.500 5.841 5.611 6.302 . 0 0 "[ . 1]" 3
1528 2 9 ILE MG 2 13 LEU HA 6.000 . 6.000 4.622 4.384 5.045 . 0 0 "[ . 1]" 3
1529 2 9 ILE MD 2 10 TRP H 6.500 2.800 6.500 4.618 4.570 4.684 . 0 0 "[ . 1]" 3
1530 2 21 LEU HA 2 22 LEU QB 6.500 . 6.500 5.316 5.285 5.359 . 0 0 "[ . 1]" 3
1531 2 36 GLY QA 2 39 ILE MG 4.500 . 4.500 2.698 2.213 3.045 . 0 0 "[ . 1]" 3
1532 2 12 LEU HA 2 12 LEU HG 4.500 . 4.500 3.624 3.465 3.666 . 0 0 "[ . 1]" 3
1533 2 38 SER HA 2 39 ILE MD 5.500 . 5.500 5.867 5.440 7.093 1.593 5 2 "[ - + 1]" 3
1534 2 38 SER HA 2 39 ILE MG 6.000 . 6.000 5.367 5.186 5.562 . 0 0 "[ . 1]" 3
1535 2 14 ILE QG 2 14 ILE MG 2.800 . 2.800 2.188 2.026 2.337 . 0 0 "[ . 1]" 3
1536 2 35 LEU HG 2 38 SER H 6.500 . 6.500 5.761 5.200 6.251 . 0 0 "[ . 1]" 3
1537 2 37 ALA MB 2 39 ILE H 4.500 . 4.500 4.559 4.376 4.740 0.240 3 0 "[ . 1]" 3
1538 2 35 LEU HG 2 36 GLY QA 5.500 . 5.500 5.719 5.343 6.022 0.522 10 1 "[ . +]" 3
1539 2 9 ILE HB 2 12 LEU HG 6.000 . 7.000 4.943 4.822 5.280 . 0 0 "[ . 1]" 3
1540 2 29 GLY QA 2 31 ILE HA 6.500 . 6.500 6.651 6.402 6.904 0.404 1 0 "[ . 1]" 3
1541 2 31 ILE HA 2 32 GLY QA 5.500 . 5.500 4.431 4.392 4.459 . 0 0 "[ . 1]" 3
1542 2 38 SER HA 2 39 ILE HA 5.500 . 5.500 4.773 4.738 4.819 . 0 0 "[ . 1]" 3
1543 2 42 PHE QB 2 43 LYS QB 4.500 . 4.500 4.451 4.071 4.727 0.227 10 0 "[ . 1]" 3
1544 2 39 ILE HB 2 39 ILE MD 3.500 . 3.500 2.343 2.310 2.378 . 0 0 "[ . 1]" 3
1545 2 39 ILE QG 2 43 LYS H 4.500 . 6.000 4.511 3.785 5.091 . 0 0 "[ . 1]" 3
1546 2 34 ASP QB 2 35 LEU HA 5.500 . 5.500 3.875 3.728 4.136 . 0 0 "[ . 1]" 3
1547 2 32 GLY H 2 35 LEU QD 6.000 . 6.500 4.862 4.557 5.147 . 0 0 "[ . 1]" 3
1548 2 39 ILE MD 2 40 LYS HA 5.500 . 5.500 5.679 5.478 5.907 0.407 4 0 "[ . 1]" 3
1549 2 16 ALA HA 2 20 VAL HA 6.000 . 6.000 6.534 6.347 6.708 0.708 9 6 "[- ** * +*]" 3
1550 2 10 TRP QB 2 13 LEU HG 6.000 . 6.500 6.979 6.683 7.331 0.831 7 4 "[ - . + **]" 3
1551 2 8 SER H 2 10 TRP QB 6.500 . 6.500 5.030 3.895 6.422 . 0 0 "[ . 1]" 3
1552 2 32 GLY QA 2 35 LEU QD . . 4.500 3.560 3.280 3.810 . 0 0 "[ . 1]" 3
1553 2 15 ILE HB 2 15 ILE MD 3.500 . 3.500 2.402 2.374 2.429 . 0 0 "[ . 1]" 3
1554 2 14 ILE H 2 14 ILE MG 4.500 . 4.500 3.719 3.606 3.776 . 0 0 "[ . 1]" 3
1555 2 14 ILE MG 2 15 ILE H 3.500 . 3.500 3.038 2.613 3.361 . 0 0 "[ . 1]" 3
1556 2 28 LEU HA 2 31 ILE MG 5.500 . 5.500 3.909 2.846 4.486 . 0 0 "[ . 1]" 3
1557 2 14 ILE MG 2 15 ILE HA 4.500 . 4.500 3.168 2.893 3.388 . 0 0 "[ . 1]" 3
1558 2 14 ILE MG 2 18 ILE HA 6.000 . 6.000 5.806 5.462 6.129 0.129 7 0 "[ . 1]" 3
1559 2 31 ILE MD 2 31 ILE MG 2.800 . 2.800 2.049 1.879 2.178 . 0 0 "[ . 1]" 3
1560 2 40 LYS HA 2 40 LYS QG 3.500 . 3.500 3.343 3.334 3.360 . 0 0 "[ . 1]" 3
1561 2 42 PHE QB 2 43 LYS QG 5.500 . 5.500 5.691 3.699 6.136 0.636 9 4 "[ ** -+1]" 3
1562 2 40 LYS HA 2 44 LYS HA 5.500 . 5.500 5.576 5.278 5.809 0.309 8 0 "[ . 1]" 3
1563 2 8 SER QB 2 9 ILE HA 5.500 . 5.500 4.506 3.975 5.139 . 0 0 "[ . 1]" 3
1564 2 9 ILE MD 2 12 LEU H 6.000 . 6.000 5.031 4.806 5.290 . 0 0 "[ . 1]" 3
1565 2 9 ILE QG 2 10 TRP HA 6.500 2.800 6.500 5.374 5.336 5.406 . 0 0 "[ . 1]" 3
1566 2 39 ILE HA 2 40 LYS QG 6.000 . 6.000 5.252 5.146 5.321 . 0 0 "[ . 1]" 3
1567 2 45 ALA MB 2 47 SER QB 5.500 . 5.500 5.884 5.563 6.154 0.654 6 3 "[ .+* -1]" 3
1568 2 42 PHE HA 2 43 LYS HA 5.500 . 5.500 4.631 4.600 4.675 . 0 0 "[ . 1]" 3
1569 2 18 ILE H 2 19 VAL HA 6.500 . 6.500 5.059 4.987 5.132 . 0 0 "[ . 1]" 3
1570 2 12 LEU HG 2 16 ALA MB 5.500 . 6.000 6.133 5.975 6.475 0.475 8 0 "[ . 1]" 3
1571 2 8 SER H 2 9 ILE QG 6.500 . 7.000 5.152 3.713 5.449 . 0 0 "[ . 1]" 3
1572 2 33 SER HA 2 37 ALA MB 6.500 . 6.500 4.617 4.271 4.898 . 0 0 "[ . 1]" 3
1573 2 39 ILE MD 2 40 LYS QB 5.500 . 5.500 6.040 5.695 6.144 0.644 1 9 [+***.*-***] 3
1574 2 9 ILE MD 2 12 LEU HA 6.500 . 6.500 5.966 5.656 6.475 . 0 0 "[ . 1]" 3
1575 2 8 SER QB 2 9 ILE MD 4.500 . 5.000 4.597 3.124 5.367 0.367 3 0 "[ . 1]" 3
1576 2 8 SER QB 2 10 TRP HE1 6.500 . 7.000 7.775 5.556 10.803 3.803 4 6 "[ **+.- * *]" 3
1577 2 8 SER H 2 9 ILE MD 6.000 . 7.000 5.463 4.490 6.040 . 0 0 "[ . 1]" 3
1578 2 9 ILE MD 2 13 LEU H 5.500 . 5.500 5.326 5.083 5.619 0.119 4 0 "[ . 1]" 3
1579 2 14 ILE MG 2 17 VAL H 5.500 . 5.500 4.895 4.821 4.985 . 0 0 "[ . 1]" 3
1580 2 31 ILE MG 2 32 GLY QA 5.500 . 5.500 4.474 2.934 4.958 . 0 0 "[ . 1]" 3
1581 2 29 GLY QA 2 31 ILE MG 6.500 . 6.500 5.461 5.217 5.744 . 0 0 "[ . 1]" 3
1582 2 9 ILE HA 2 13 LEU H 4.500 . 4.500 3.928 3.770 4.273 . 0 0 "[ . 1]" 3
1583 2 8 SER H 2 9 ILE HA 6.500 . 6.500 5.249 4.941 5.699 . 0 0 "[ . 1]" 3
1584 2 9 ILE HA 2 11 GLN H 6.500 . 6.500 4.856 4.611 5.106 . 0 0 "[ . 1]" 3
1585 2 9 ILE HB 2 13 LEU H 6.500 . 6.500 5.495 5.358 5.815 . 0 0 "[ . 1]" 3
1586 2 8 SER H 2 9 ILE HB 6.500 . 6.500 6.458 4.842 6.899 0.399 1 0 "[ . 1]" 3
1587 2 9 ILE HB 2 12 LEU H 5.500 . 5.500 5.516 5.389 5.639 0.139 1 0 "[ . 1]" 3
1588 2 9 ILE MG 2 13 LEU H 5.500 . 5.500 3.766 3.527 4.105 . 0 0 "[ . 1]" 3
1589 2 8 SER H 2 9 ILE MG 6.500 . 6.500 6.506 5.782 6.846 0.346 7 0 "[ . 1]" 3
1590 2 10 TRP QB 2 12 LEU H 6.500 . 6.500 4.273 4.175 4.383 . 0 0 "[ . 1]" 3
1591 2 11 GLN HA 2 13 LEU H 4.500 . 4.500 4.216 4.041 4.318 . 0 0 "[ . 1]" 3
1592 2 8 SER H 2 11 GLN HA . . 6.000 6.431 5.362 8.403 2.403 2 3 "[ + *. - 1]" 3
1593 2 11 GLN QB 2 13 LEU H 6.500 . 6.500 4.771 4.681 4.842 . 0 0 "[ . 1]" 3
1594 2 8 SER H 2 12 LEU QB 6.500 . 6.500 4.967 4.085 6.023 . 0 0 "[ . 1]" 3
1595 2 15 ILE MG 2 19 VAL HA 6.500 . 6.500 4.836 4.776 4.926 . 0 0 "[ . 1]" 3
1596 2 18 ILE MG 2 19 VAL HA 6.500 . 6.500 3.664 3.330 3.764 . 0 0 "[ . 1]" 3
1597 2 15 ILE MG 2 19 VAL H 5.500 . 5.500 3.994 3.868 4.031 . 0 0 "[ . 1]" 3
1598 2 19 VAL HA 2 22 LEU HG 5.500 . 5.500 2.511 2.203 2.747 . 0 0 "[ . 1]" 3
1599 2 17 VAL HA 2 20 VAL HA 5.500 . 5.500 6.148 5.951 6.390 0.890 2 9 [*+*-.*****] 3
1600 2 17 VAL HA 2 19 VAL HA 6.500 . 6.500 6.875 6.797 6.981 0.481 2 0 "[ . 1]" 3
1601 2 17 VAL H 2 21 LEU QD 6.500 . 7.000 5.748 5.704 5.862 . 0 0 "[ . 1]" 3
1602 2 17 VAL QG 2 21 LEU HG 4.500 . 4.500 5.557 5.406 5.754 1.254 8 10 [*******+*-] 3
1603 2 13 LEU H 2 13 LEU HG 4.500 . 4.500 3.965 3.843 4.068 . 0 0 "[ . 1]" 3
1604 2 35 LEU HG 2 39 ILE H 6.500 . 6.500 6.353 5.298 7.281 0.781 6 1 "[ .+ 1]" 3
1605 2 18 ILE QG 2 19 VAL QG 6.000 . 6.000 5.172 4.966 5.442 . 0 0 "[ . 1]" 3
1606 2 17 VAL QG 2 18 ILE QG 5.500 . 5.500 2.918 2.809 2.979 . 0 0 "[ . 1]" 3
1607 2 44 LYS QB 2 47 SER QB 5.500 . 5.500 6.045 5.541 6.458 0.958 8 6 "[ * *. *+-*]" 3
1608 2 39 ILE HA 2 40 LYS QB 5.500 . 5.500 5.399 5.343 5.450 . 0 0 "[ . 1]" 3
1609 2 9 ILE HB 2 12 LEU QB 6.500 . 6.500 4.750 4.604 5.124 . 0 0 "[ . 1]" 3
1610 2 42 PHE HA 2 43 LYS QB 5.500 . 5.500 5.202 5.136 5.446 . 0 0 "[ . 1]" 3
1611 2 35 LEU QD 2 38 SER H 5.500 . 5.500 4.862 4.505 5.149 . 0 0 "[ . 1]" 3
1612 2 35 LEU QD 2 37 ALA H 6.500 . 6.500 5.661 5.587 5.855 . 0 0 "[ . 1]" 3
1613 2 33 SER H 2 35 LEU QD 6.500 . 6.500 5.594 5.396 5.760 . 0 0 "[ . 1]" 3
1614 2 39 ILE QG 2 42 PHE QB 6.500 . 6.500 4.731 3.794 5.714 . 0 0 "[ . 1]" 3
1615 2 17 VAL QG 2 21 LEU HG 6.500 . 6.500 3.980 3.908 4.063 . 0 0 "[ . 1]" 3
1616 2 14 ILE HA 2 18 ILE HA 6.500 . 6.500 6.611 6.300 6.750 0.250 7 0 "[ . 1]" 3
1617 2 13 LEU HA 2 17 VAL HB 6.500 . 6.500 5.190 4.905 5.388 . 0 0 "[ . 1]" 3
1618 2 41 GLY QA 2 44 LYS QD 6.500 . 6.500 3.545 2.918 4.291 . 0 0 "[ . 1]" 3
1619 2 17 VAL QG 2 21 LEU QB 7.000 . 7.000 5.481 5.392 5.619 . 0 0 "[ . 1]" 3
1620 2 21 LEU QB 2 22 LEU QB 5.500 . 5.500 5.262 5.227 5.305 . 0 0 "[ . 1]" 3
1621 2 18 ILE MG 2 22 LEU QD 6.500 . 7.000 2.129 2.064 2.220 . 0 0 "[ . 1]" 3
1622 2 21 LEU QD 2 22 LEU QD 6.500 . 6.500 2.637 2.385 2.832 . 0 0 "[ . 1]" 3
1623 2 39 ILE MG 2 40 LYS QB 4.500 . 4.500 2.983 2.777 3.113 . 0 0 "[ . 1]" 3
1624 2 28 LEU QB 2 28 LEU QD . . 2.800 1.856 1.829 1.886 . 0 0 "[ . 1]" 3
1625 2 9 ILE MG 2 12 LEU H 4.500 . 4.500 4.646 4.492 4.800 0.300 3 0 "[ . 1]" 3
1626 2 35 LEU QB 2 37 ALA H 6.500 . 6.500 5.005 4.876 5.168 . 0 0 "[ . 1]" 3
1627 2 33 SER H 2 35 LEU QB 6.500 . 6.500 5.114 4.890 5.335 . 0 0 "[ . 1]" 3
1628 2 38 SER HA 2 39 ILE QG 6.000 . 6.000 6.583 6.367 6.661 0.661 2 9 [*+*-.*****] 3
1629 2 44 LYS QB 2 45 ALA MB 4.500 . 4.500 3.784 3.583 3.967 . 0 0 "[ . 1]" 3
1630 2 36 GLY QA 2 39 ILE QG 5.500 . 5.500 4.316 3.700 4.772 . 0 0 "[ . 1]" 3
1631 2 39 ILE HB 2 40 LYS HA 5.500 . 5.500 5.503 5.360 5.585 0.085 5 0 "[ . 1]" 3
1632 2 35 LEU H 2 37 ALA MB . . 5.500 5.314 5.119 5.491 . 0 0 "[ . 1]" 3
1633 2 34 ASP H 2 37 ALA MB 5.500 . 5.500 5.207 4.905 5.435 . 0 0 "[ . 1]" 3
1634 2 37 ALA MB 2 40 LYS QE 6.500 . 6.500 2.207 2.044 2.405 . 0 0 "[ . 1]" 3
1635 2 37 ALA HA 2 38 SER QB 6.500 . 6.500 5.419 5.375 5.468 . 0 0 "[ . 1]" 3
1636 2 37 ALA HA 2 39 ILE HA 6.500 . 6.500 6.469 6.364 6.638 0.138 5 0 "[ . 1]" 3
1637 2 37 ALA HA 2 41 GLY QA 6.500 . 6.500 5.949 5.689 6.221 . 0 0 "[ . 1]" 3
1638 2 37 ALA MB 2 40 LYS QD 5.500 . 5.500 3.665 3.437 3.949 . 0 0 "[ . 1]" 3
1639 2 20 VAL HA 2 21 LEU HA 5.500 . 5.500 4.617 4.574 4.655 . 0 0 "[ . 1]" 3
1640 2 19 VAL HA 2 21 LEU HA 6.500 . 6.500 6.613 6.516 6.716 0.216 7 0 "[ . 1]" 3
1641 2 21 LEU H 2 22 LEU HG 6.500 . 6.500 4.043 3.882 4.151 . 0 0 "[ . 1]" 3
1642 2 12 LEU QD 2 13 LEU QB 6.500 . 6.500 5.064 4.951 5.215 . 0 0 "[ . 1]" 3
1643 2 12 LEU HG 2 13 LEU H 5.500 . 5.500 5.116 4.712 5.250 . 0 0 "[ . 1]" 3
1644 2 33 SER H 2 34 ASP QB 6.500 . 6.500 4.406 4.272 4.527 . 0 0 "[ . 1]" 3
1645 2 34 ASP QB 2 37 ALA H . . 5.000 5.222 5.096 5.485 0.485 2 0 "[ . 1]" 3
1646 2 34 ASP QB 2 38 SER H 6.500 . 6.500 5.528 5.220 5.815 . 0 0 "[ . 1]" 3
1647 2 14 ILE MD 2 17 VAL QG 5.500 . 5.500 4.743 4.012 5.384 . 0 0 "[ . 1]" 3
1648 2 9 ILE MD 2 11 GLN H 6.500 . 6.500 6.161 5.940 6.326 . 0 0 "[ . 1]" 3
1649 2 39 ILE HB 2 40 LYS QG 5.500 . 6.000 5.277 5.005 5.570 . 0 0 "[ . 1]" 3
1650 2 14 ILE MG 2 15 ILE MD 4.500 . 4.500 4.427 3.868 4.812 0.312 6 0 "[ . 1]" 3
1651 2 14 ILE MD 2 15 ILE MD 5.500 . 5.500 5.406 4.914 5.860 0.360 7 0 "[ . 1]" 3
1652 2 14 ILE MG 2 18 ILE MD 4.500 . 4.500 2.380 2.235 2.555 . 0 0 "[ . 1]" 3
1653 2 14 ILE MD 2 18 ILE MD 6.500 . 6.500 5.108 4.625 5.529 . 0 0 "[ . 1]" 3
1654 2 16 ALA HA 2 18 ILE HA 6.500 . 6.500 6.673 6.586 6.749 0.249 10 0 "[ . 1]" 3
1655 2 35 LEU HA 2 35 LEU QD . . 3.500 2.187 1.935 2.613 . 0 0 "[ . 1]" 3
1656 2 30 SER HA 2 30 SER QB 2.800 . 2.800 2.247 2.166 2.327 . 0 0 "[ . 1]" 3
1657 2 29 GLY QA 2 30 SER HA 4.500 . 4.500 3.927 3.902 3.959 . 0 0 "[ . 1]" 3
1658 2 37 ALA HA 2 40 LYS QD 5.500 . 5.500 2.769 2.368 3.378 . 0 0 "[ . 1]" 3
1659 2 21 LEU QD 2 22 LEU HA 5.500 . 5.500 3.902 3.766 4.111 . 0 0 "[ . 1]" 3
1660 2 31 ILE H 2 32 GLY QA . . 4.500 4.491 4.435 4.565 0.065 3 0 "[ . 1]" 3
1661 2 28 LEU QD 2 32 GLY QA 5.500 . 5.500 4.756 4.332 5.110 . 0 0 "[ . 1]" 3
1662 2 28 LEU HG 2 32 GLY QA 5.500 . 5.500 5.666 4.963 5.988 0.488 10 0 "[ . 1]" 3
1663 2 32 GLY QA 2 35 LEU HG 6.500 . 6.500 5.097 4.401 5.893 . 0 0 "[ . 1]" 3
1664 2 35 LEU HG 2 38 SER QB . . 5.500 4.424 3.427 5.337 . 0 0 "[ . 1]" 3
1665 2 32 GLY H 2 33 SER HA 6.500 . 6.500 5.202 5.128 5.279 . 0 0 "[ . 1]" 3
1666 2 31 ILE HA 2 33 SER HA 6.500 . 6.500 6.562 6.364 6.743 0.243 2 0 "[ . 1]" 3
1667 2 30 SER HA 2 33 SER HA 6.000 . 6.000 5.728 5.374 6.101 0.101 7 0 "[ . 1]" 3
1668 2 33 SER HA 2 34 ASP QB 6.500 . 6.500 5.297 5.217 5.447 . 0 0 "[ . 1]" 3
1669 2 32 GLY QA 2 35 LEU HA 5.500 . 5.500 5.570 5.342 5.738 0.238 6 0 "[ . 1]" 3
1670 2 32 GLY H 2 35 LEU HG 7.000 . 7.000 6.691 5.552 7.976 0.976 8 4 "[-* . +*1]" 3
1671 2 13 LEU HG 2 17 VAL QG 5.500 . 5.500 4.424 4.354 4.492 . 0 0 "[ . 1]" 3
1672 2 36 GLY QA 2 40 LYS QB 5.500 . 5.500 5.169 4.775 5.558 0.058 1 0 "[ . 1]" 3
1673 2 33 SER HA 2 35 LEU HA 6.500 . 6.500 6.613 6.464 6.743 0.243 6 0 "[ . 1]" 3
1674 2 33 SER HA 2 37 ALA HA 6.500 . 6.500 6.115 5.832 6.329 . 0 0 "[ . 1]" 3
1675 2 33 SER QB 2 35 LEU H 6.500 . 6.500 4.851 4.707 4.973 . 0 0 "[ . 1]" 3
1676 2 36 GLY H 2 37 ALA HA 6.500 . 6.500 5.316 5.269 5.373 . 0 0 "[ . 1]" 3
1677 2 29 GLY H 2 30 SER HA 5.500 2.800 5.500 5.378 5.218 5.529 0.029 2 0 "[ . 1]" 3
1678 2 40 LYS HA 2 41 GLY QA 5.500 . 5.500 4.336 4.301 4.420 . 0 0 "[ . 1]" 3
1679 2 39 ILE HA 2 40 LYS HA 5.500 . 5.500 4.691 4.633 4.728 . 0 0 "[ . 1]" 3
1680 2 40 LYS HA 2 43 LYS HA 6.000 . 6.000 6.110 5.854 6.345 0.345 8 0 "[ . 1]" 3
1681 2 42 PHE H 2 44 LYS HA 6.500 . 6.500 6.624 6.457 6.801 0.301 5 0 "[ . 1]" 3
1682 2 44 LYS HA 2 47 SER HA 6.500 . 6.500 5.804 5.005 6.784 0.284 4 0 "[ . 1]" 3
1683 2 43 LYS HA 2 45 ALA HA 6.500 . 6.500 6.100 5.949 6.313 . 0 0 "[ . 1]" 3
1684 2 42 PHE HA 2 44 LYS HA 6.500 . 6.500 6.605 6.321 6.894 0.394 2 0 "[ . 1]" 3
1685 2 37 ALA HA 2 38 SER HA 5.500 . 5.500 4.659 4.623 4.676 . 0 0 "[ . 1]" 3
1686 2 35 LEU HA 2 38 SER HA 5.500 . 5.500 5.203 5.105 5.316 . 0 0 "[ . 1]" 3
1687 2 34 ASP H 2 35 LEU QD . . 6.000 4.940 4.674 5.242 . 0 0 "[ . 1]" 3
1688 2 11 GLN QG 2 14 ILE MD 5.500 . 5.500 3.394 2.827 4.296 . 0 0 "[ . 1]" 3
1689 1 8 SER H 1 9 ILE H . . 4.000 4.195 3.434 4.537 0.537 10 1 "[ . +]" 3
1690 1 8 SER H 1 11 GLN H 5.500 . 5.500 5.038 3.734 6.910 1.410 6 1 "[ .+ 1]" 3
1691 1 8 SER H 1 10 TRP H 5.500 . 5.500 5.100 4.168 5.806 0.306 4 0 "[ . 1]" 3
1692 1 8 SER H 1 11 GLN QE 5.500 . 5.500 4.915 2.963 7.643 2.143 6 3 "[ -.+* 1]" 3
1693 1 9 ILE H 1 11 GLN H 4.500 . 4.500 4.948 4.806 5.181 0.681 7 3 "[*- . + 1]" 3
1694 1 9 ILE H 1 12 LEU H 4.500 . 4.500 4.955 4.718 5.330 0.830 1 4 "[+ . - **]" 3
1695 1 9 ILE H 1 10 TRP HA 5.500 . 5.500 5.121 4.796 5.406 . 0 0 "[ . 1]" 3
1696 1 9 ILE H 1 10 TRP QB 5.500 . 5.500 4.213 3.959 4.453 . 0 0 "[ . 1]" 3
1697 1 9 ILE H 1 12 LEU QB 5.500 . 5.500 4.343 4.138 4.754 . 0 0 "[ . 1]" 3
1698 1 9 ILE H 1 12 LEU HG 5.500 . 6.000 5.214 4.612 5.815 . 0 0 "[ . 1]" 3
1699 1 10 TRP H 1 11 GLN QE 6.500 . 6.500 5.657 4.998 6.435 . 0 0 "[ . 1]" 3
1700 1 8 SER H 1 10 TRP H 5.500 . 5.500 4.338 3.911 4.573 . 0 0 "[ . 1]" 3
1701 1 9 ILE QG 1 10 TRP H 6.500 . 6.500 3.979 3.774 4.133 . 0 0 "[ . 1]" 3
1702 1 8 SER HA 1 11 GLN H 5.500 . 5.500 5.065 4.377 5.614 0.114 1 0 "[ . 1]" 3
1703 1 11 GLN H 1 11 GLN QE 5.500 . 5.500 3.885 3.335 4.458 . 0 0 "[ . 1]" 3
1704 1 10 TRP HD1 1 11 GLN QE 5.000 . 6.500 6.932 5.691 8.011 1.511 2 5 "[-+* . * *]" 3
1705 1 8 SER HA 1 11 GLN QE 6.500 . 6.500 5.549 4.461 6.151 . 0 0 "[ . 1]" 3
1706 1 19 VAL H 1 22 LEU HG 6.500 . 7.000 6.304 6.164 6.404 . 0 0 "[ . 1]" 3
1707 1 19 VAL H 1 22 LEU QB 7.000 . 7.000 4.136 4.036 4.226 . 0 0 "[ . 1]" 3
1708 1 19 VAL H 1 23 PHE QD 6.500 . 6.500 6.148 6.051 6.366 . 0 0 "[ . 1]" 3
1709 1 20 VAL H 1 24 GLY H 6.500 . 6.500 6.518 5.948 6.794 0.294 1 0 "[ . 1]" 3
1710 1 20 VAL H 1 23 PHE QD 6.500 . 6.500 5.231 5.141 5.367 . 0 0 "[ . 1]" 3
1711 1 20 VAL H 1 22 LEU QB 6.500 . 6.500 4.334 4.298 4.373 . 0 0 "[ . 1]" 3
1712 1 20 VAL H 1 25 THR MG . . 5.500 6.046 5.491 6.445 0.945 1 5 "[+* *. * -1]" 3
1713 1 18 ILE H 1 21 LEU H 6.500 . 6.500 5.541 5.429 5.710 . 0 0 "[ . 1]" 3
1714 1 21 LEU H 1 24 GLY H 6.500 . 6.500 4.875 4.514 5.057 . 0 0 "[ . 1]" 3
1715 1 21 LEU H 1 23 PHE QD 6.500 . 6.500 5.937 5.754 6.121 . 0 0 "[ . 1]" 3
1716 1 21 LEU H 1 25 THR H 6.500 . 6.500 5.114 4.913 5.340 . 0 0 "[ . 1]" 3
1717 1 17 VAL H 1 21 LEU H 6.500 . 6.500 7.134 7.031 7.302 0.802 9 10 [*****-**+*] 3
1718 1 21 LEU H 1 23 PHE HA 7.500 . 7.500 7.133 7.044 7.245 . 0 0 "[ . 1]" 3
1719 1 21 LEU H 1 23 PHE QB 6.500 . 6.500 6.377 6.245 6.581 0.081 9 0 "[ . 1]" 3
1720 1 18 ILE HB 1 21 LEU H 5.500 . 6.000 5.975 5.779 6.183 0.183 3 0 "[ . 1]" 3
1721 1 21 LEU H 1 22 LEU QB 5.500 . 5.500 4.021 3.865 4.108 . 0 0 "[ . 1]" 3
1722 1 22 LEU H 1 24 GLY H 6.500 . 6.500 3.856 3.603 4.022 . 0 0 "[ . 1]" 3
1723 1 22 LEU H 1 23 PHE QD 5.500 . 5.500 4.718 4.522 4.845 . 0 0 "[ . 1]" 3
1724 1 22 LEU H 1 25 THR H 6.500 . 6.500 5.034 4.720 5.185 . 0 0 "[ . 1]" 3
1725 1 22 LEU H 1 23 PHE QB 6.500 . 6.500 5.176 5.092 5.270 . 0 0 "[ . 1]" 3
1726 1 22 LEU H 1 23 PHE HA 6.500 . 6.500 5.309 5.249 5.364 . 0 0 "[ . 1]" 3
1727 1 19 VAL HB 1 22 LEU H 6.500 . 6.500 5.545 5.466 5.634 . 0 0 "[ . 1]" 3
1728 1 23 PHE H 1 23 PHE QE 5.500 . 5.500 4.325 4.205 4.483 . 0 0 "[ . 1]" 3
1729 1 23 PHE H 1 25 THR H 5.500 . 5.500 3.385 3.216 3.738 . 0 0 "[ . 1]" 3
1730 1 20 VAL H 1 23 PHE H 5.000 . 5.000 5.153 5.036 5.259 0.259 5 0 "[ . 1]" 3
1731 1 21 LEU QB 1 23 PHE H 5.500 . 5.500 5.097 5.027 5.179 . 0 0 "[ . 1]" 3
1732 1 20 VAL HB 1 23 PHE H 6.500 . 6.500 5.867 5.685 6.022 . 0 0 "[ . 1]" 3
1733 1 19 VAL HB 1 23 PHE H 6.500 . 6.500 6.384 6.196 6.546 0.046 5 0 "[ . 1]" 3
1734 1 23 PHE H 1 25 THR MG 6.500 . 6.500 6.156 5.341 6.483 . 0 0 "[ . 1]" 3
1735 1 20 VAL QG 1 23 PHE H 5.500 . 5.500 4.743 4.565 4.870 . 0 0 "[ . 1]" 3
1736 1 19 VAL QG 1 23 PHE H 4.500 . 4.500 3.941 3.843 4.030 . 0 0 "[ . 1]" 3
1737 1 24 GLY H 1 25 THR H 4.500 . 4.500 2.775 2.496 2.939 . 0 0 "[ . 1]" 3
1738 1 23 PHE QD 1 24 GLY H 5.500 . 5.500 4.577 4.083 4.714 . 0 0 "[ . 1]" 3
1739 1 23 PHE QE 1 24 GLY H 6.500 . 6.500 6.154 5.724 6.304 . 0 0 "[ . 1]" 3
1740 1 23 PHE HA 1 24 GLY H 4.500 . 4.500 3.102 3.032 3.392 . 0 0 "[ . 1]" 3
1741 1 24 GLY H 1 25 THR HB 6.500 . 6.500 6.190 6.023 6.854 0.354 8 0 "[ . 1]" 3
1742 1 20 VAL HB 1 24 GLY H 6.500 . 6.500 6.301 5.819 6.550 0.050 8 0 "[ . 1]" 3
1743 1 22 LEU QB 1 24 GLY H 5.000 . 5.000 4.421 4.313 4.519 . 0 0 "[ . 1]" 3
1744 1 22 LEU MD2 1 24 GLY H 6.500 . 6.500 5.067 4.925 5.326 . 0 0 "[ . 1]" 3
1745 1 22 LEU HG 1 24 GLY H 6.500 . 6.500 6.387 6.291 6.562 0.062 5 0 "[ . 1]" 3
1746 1 21 LEU QB 1 24 GLY H 6.500 . 6.500 4.503 4.450 4.620 . 0 0 "[ . 1]" 3
1747 1 24 GLY H 1 26 LYS QD 6.500 . 6.500 5.446 4.949 6.197 . 0 0 "[ . 1]" 3
1748 1 24 GLY H 1 26 LYS QB 6.500 . 6.500 5.356 5.095 5.590 . 0 0 "[ . 1]" 3
1749 1 24 GLY H 1 28 LEU QD 5.500 . 6.000 4.566 3.936 5.115 . 0 0 "[ . 1]" 3
1750 1 25 THR H 1 28 LEU H 6.500 . 6.500 4.881 4.681 5.096 . 0 0 "[ . 1]" 3
1751 1 25 THR H 1 29 GLY H 6.500 . 7.000 6.109 5.693 6.563 . 0 0 "[ . 1]" 3
1752 1 23 PHE QB 1 25 THR H 6.500 . 6.500 3.370 2.991 3.668 . 0 0 "[ . 1]" 3
1753 1 20 VAL QG 1 25 THR H . . 4.500 3.432 3.140 3.740 . 0 0 "[ . 1]" 3
1754 1 20 VAL HB 1 25 THR H 6.500 . 6.500 5.426 5.161 5.671 . 0 0 "[ . 1]" 3
1755 1 22 LEU QB 1 25 THR H 6.500 . 7.000 5.578 5.400 5.813 . 0 0 "[ . 1]" 3
1756 1 25 THR H 1 26 LYS QB 6.500 . 6.500 4.677 4.536 4.842 . 0 0 "[ . 1]" 3
1757 1 25 THR H 1 26 LYS QD 6.500 . 6.500 5.712 5.209 6.320 . 0 0 "[ . 1]" 3
1758 1 25 THR H 1 28 LEU QD . . 3.500 2.830 2.493 3.260 . 0 0 "[ . 1]" 3
1759 1 23 PHE QB 1 26 LYS H 6.500 . 6.500 3.177 2.912 3.425 . 0 0 "[ . 1]" 3
1760 1 27 LYS H 1 27 LYS QE . . 5.500 4.843 4.023 5.798 0.298 9 0 "[ . 1]" 3
1761 1 27 LYS H 1 29 GLY QA 6.500 . 6.500 5.614 4.946 6.068 . 0 0 "[ . 1]" 3
1762 1 28 LEU H 1 32 GLY H 6.500 . 6.500 5.373 4.879 5.778 . 0 0 "[ . 1]" 3
1763 1 28 LEU H 1 30 SER H 5.500 . 5.500 4.278 3.828 4.798 . 0 0 "[ . 1]" 3
1764 1 28 LEU H 1 31 ILE H 4.500 . 4.500 5.115 4.834 5.399 0.899 1 6 "[+-* . ***1]" 3
1765 1 27 LYS QG 1 28 LEU H 5.500 . 5.500 4.098 3.015 4.688 . 0 0 "[ . 1]" 3
1766 1 27 LYS QB 1 28 LEU H 3.500 . 3.500 2.725 2.091 3.456 . 0 0 "[ . 1]" 3
1767 1 29 GLY H 1 30 SER H . . 2.800 2.529 2.411 2.697 . 0 0 "[ . 1]" 3
1768 1 29 GLY H 1 33 SER H 5.500 . 5.500 5.675 5.166 6.131 0.631 7 1 "[ . + 1]" 3
1769 1 25 THR HB 1 29 GLY H 5.500 . 5.500 4.800 3.909 5.429 . 0 0 "[ . 1]" 3
1770 1 26 LYS HA 1 29 GLY H 5.500 . 5.500 4.267 3.412 5.459 . 0 0 "[ . 1]" 3
1771 1 27 LYS HA 1 29 GLY H . . 4.500 3.924 3.532 4.320 . 0 0 "[ . 1]" 3
1772 1 25 THR MG 1 29 GLY H 5.500 . 5.500 3.482 2.493 5.438 . 0 0 "[ . 1]" 3
1773 1 27 LYS QG 1 29 GLY H 5.500 . 5.500 5.430 4.601 5.970 0.470 5 0 "[ . 1]" 3
1774 1 27 LYS QB 1 29 GLY H 5.500 . 5.500 4.576 4.283 4.969 . 0 0 "[ . 1]" 3
1775 1 26 LYS QB 1 29 GLY H 5.500 . 6.000 5.176 4.660 5.899 . 0 0 "[ . 1]" 3
1776 1 30 SER H 1 31 ILE H 2.800 . 2.800 2.716 2.430 2.853 0.053 8 0 "[ . 1]" 3
1777 1 30 SER H 1 31 ILE HB 6.000 . 6.000 6.066 5.223 6.417 0.417 2 0 "[ . 1]" 3
1778 1 27 LYS QB 1 30 SER H 5.500 . 5.500 4.824 4.145 5.441 . 0 0 "[ . 1]" 3
1779 1 29 GLY H 1 31 ILE H 4.500 . 4.500 4.457 4.086 4.808 0.308 3 0 "[ . 1]" 3
1780 1 31 ILE H 1 33 SER HA 6.500 . 6.500 7.076 6.932 7.231 0.731 7 8 "[*-* .*+***]" 3
1781 1 29 GLY QA 1 31 ILE H 4.500 . 4.500 4.701 4.375 5.066 0.566 1 3 "[+ * . - 1]" 3
1782 1 28 LEU HA 1 31 ILE H 3.500 . 3.500 4.191 3.743 4.618 1.118 9 7 "[*-**. **+1]" 3
1783 1 27 LYS HA 1 31 ILE H 6.500 . 6.500 3.750 3.451 4.123 . 0 0 "[ . 1]" 3
1784 1 27 LYS QB 1 31 ILE H 5.500 . 5.500 4.497 3.319 5.362 . 0 0 "[ . 1]" 3
1785 1 27 LYS QG 1 31 ILE H 5.500 . 5.500 4.491 3.510 5.368 . 0 0 "[ . 1]" 3
1786 1 28 LEU HG 1 31 ILE H 6.000 . 6.500 6.265 5.899 6.674 0.174 9 0 "[ . 1]" 3
1787 1 28 LEU QB 1 31 ILE H 5.000 . 5.000 5.658 5.261 6.032 1.032 9 6 "[*-* . **+1]" 3
1788 1 31 ILE H 1 34 ASP QB 7.000 . 7.000 5.081 4.778 5.409 . 0 0 "[ . 1]" 3
1789 1 32 GLY H 1 33 SER H 2.800 . 2.800 2.617 2.495 2.730 . 0 0 "[ . 1]" 3
1790 1 29 GLY H 1 32 GLY H 6.500 . 6.500 4.430 3.997 4.693 . 0 0 "[ . 1]" 3
1791 1 30 SER HA 1 32 GLY H 4.500 2.800 4.500 4.356 4.170 4.702 0.202 1 0 "[ . 1]" 3
1792 1 29 GLY QA 1 32 GLY H 4.000 . 4.000 3.950 3.541 4.555 0.555 1 1 "[+ . 1]" 3
1793 1 28 LEU HG 1 32 GLY H 5.500 . 5.500 5.747 5.175 6.074 0.574 4 2 "[ +. - 1]" 3
1794 1 28 LEU QB 1 32 GLY H 6.500 . 6.500 4.681 4.436 4.997 . 0 0 "[ . 1]" 3
1795 1 31 ILE H 1 33 SER H 4.500 . 4.500 4.250 4.075 4.434 . 0 0 "[ . 1]" 3
1796 1 36 GLY H 1 38 SER H 5.500 . 5.500 3.734 3.602 3.819 . 0 0 "[ . 1]" 3
1797 1 31 ILE HB 1 33 SER H 5.500 . 5.500 5.886 5.643 6.290 0.790 8 1 "[ . + 1]" 3
1798 1 38 SER H 1 39 ILE HB 5.500 . 5.500 4.521 4.270 4.752 . 0 0 "[ . 1]" 3
1799 1 33 SER H 1 36 GLY QA 5.500 . 6.000 5.167 4.978 5.386 . 0 0 "[ . 1]" 3
1800 1 30 SER HA 1 33 SER H . . 4.000 3.752 3.502 4.142 0.142 1 0 "[ . 1]" 3
1801 1 36 GLY QA 1 38 SER H . . 4.500 3.774 3.666 3.936 . 0 0 "[ . 1]" 3
1802 1 38 SER H 1 42 PHE QB 6.500 . 6.500 6.434 6.026 7.572 1.072 5 1 "[ + 1]" 3
1803 1 38 SER H 1 40 LYS QB 5.500 . 5.500 5.820 5.552 6.144 0.644 10 3 "[- *. +]" 3
1804 1 33 SER H 1 34 ASP H 2.800 . 2.800 2.571 2.459 2.704 . 0 0 "[ . 1]" 3
1805 1 34 ASP H 1 38 SER H 5.500 . 5.500 6.165 6.027 6.302 0.802 8 10 [*******+-*] 3
1806 1 34 ASP H 1 37 ALA H 4.500 . 4.500 4.724 4.606 4.864 0.364 8 0 "[ . 1]" 3
1807 1 34 ASP H 1 35 LEU H 2.800 . 2.800 2.784 2.663 2.858 0.058 4 0 "[ . 1]" 3
1808 1 34 ASP H 1 36 GLY H 4.500 . 4.500 3.718 3.634 3.819 . 0 0 "[ . 1]" 3
1809 1 31 ILE HA 1 34 ASP H 3.500 . 3.500 3.621 3.473 3.760 0.260 8 0 "[ . 1]" 3
1810 1 31 ILE QG 1 34 ASP H 6.500 . 6.500 5.115 4.674 5.388 . 0 0 "[ . 1]" 3
1811 1 34 ASP H 1 35 LEU HA 5.500 . 5.500 5.338 5.253 5.395 . 0 0 "[ . 1]" 3
1812 1 34 ASP H 1 35 LEU HG 6.000 . 6.500 6.064 5.703 6.491 . 0 0 "[ . 1]" 3
1813 1 34 ASP H 1 35 LEU QB 6.500 . 6.500 4.558 4.386 4.632 . 0 0 "[ . 1]" 3
1814 1 35 LEU H 1 37 ALA H 4.500 . 4.500 4.243 4.185 4.333 . 0 0 "[ . 1]" 3
1815 1 33 SER H 1 35 LEU H 4.500 . 4.500 4.287 4.126 4.385 . 0 0 "[ . 1]" 3
1816 1 35 LEU H 1 38 SER H 5.500 . 5.500 4.705 4.655 4.797 . 0 0 "[ . 1]" 3
1817 1 33 SER HA 1 35 LEU H 4.500 . 4.500 4.859 4.709 4.980 0.480 7 0 "[ . 1]" 3
1818 1 32 GLY QA 1 35 LEU H 3.500 . 3.500 3.779 3.609 3.962 0.462 7 0 "[ . 1]" 3
1819 1 31 ILE HB 1 35 LEU H 5.500 . 5.500 5.062 4.516 5.859 0.359 1 0 "[ . 1]" 3
1820 1 36 GLY H 1 39 ILE H 6.500 . 6.500 4.595 4.492 4.763 . 0 0 "[ . 1]" 3
1821 1 33 SER HA 1 36 GLY H 4.500 . 4.500 3.507 3.352 3.605 . 0 0 "[ . 1]" 3
1822 1 32 GLY QA 1 36 GLY H 4.500 . 4.500 3.688 3.437 3.829 . 0 0 "[ . 1]" 3
1823 1 36 GLY H 1 38 SER QB 5.500 . 5.500 4.720 4.507 4.798 . 0 0 "[ . 1]" 3
1824 1 36 GLY H 1 39 ILE HB 6.500 . 6.500 5.128 4.665 5.680 . 0 0 "[ . 1]" 3
1825 1 36 GLY H 1 39 ILE QG 6.500 . 6.500 4.897 4.447 5.205 . 0 0 "[ . 1]" 3
1826 1 34 ASP QB 1 36 GLY H 6.500 . 6.500 4.297 4.206 4.445 . 0 0 "[ . 1]" 3
1827 1 37 ALA H 1 39 ILE H 5.500 . 5.500 3.985 3.823 4.143 . 0 0 "[ . 1]" 3
1828 1 37 ALA H 1 38 SER QB 5.500 . 5.500 4.458 4.394 4.508 . 0 0 "[ . 1]" 3
1829 1 36 GLY QA 1 39 ILE H . . 3.500 3.228 3.167 3.368 . 0 0 "[ . 1]" 3
1830 1 36 GLY QA 1 40 LYS H . . 4.500 4.377 4.175 4.599 0.099 9 0 "[ . 1]" 3
1831 1 40 LYS H 1 42 PHE QB 6.500 . 6.500 5.307 4.642 6.496 . 0 0 "[ . 1]" 3
1832 1 40 LYS H 1 40 LYS QE 6.500 . 6.500 4.378 4.181 4.498 . 0 0 "[ . 1]" 3
1833 1 38 SER HA 1 41 GLY H 4.500 . 4.500 3.405 3.167 3.647 . 0 0 "[ . 1]" 3
1834 1 41 GLY H 1 42 PHE QB 5.500 . 5.500 4.162 3.860 4.713 . 0 0 "[ . 1]" 3
1835 1 37 ALA HA 1 41 GLY H . . 4.500 4.830 4.581 5.137 0.637 5 3 "[ + -*1]" 3
1836 1 40 LYS QG 1 41 GLY H 5.500 . 5.500 2.638 2.339 2.836 . 0 0 "[ . 1]" 3
1837 1 40 LYS QD 1 41 GLY H 5.500 . 5.500 4.701 4.417 4.891 . 0 0 "[ . 1]" 3
1838 1 39 ILE HB 1 41 GLY H 5.500 . 5.500 5.371 5.023 5.654 0.154 2 0 "[ . 1]" 3
1839 1 39 ILE MD 1 41 GLY H 6.500 . 6.500 4.106 4.033 4.219 . 0 0 "[ . 1]" 3
1840 1 40 LYS HA 1 42 PHE H 4.500 . 4.500 4.487 4.210 4.693 0.193 5 0 "[ . 1]" 3
1841 1 39 ILE MG 1 42 PHE H 4.500 . 4.500 4.989 4.677 5.191 0.691 5 6 "[ *+-* **]" 3
1842 1 39 ILE HB 1 42 PHE H 5.500 . 5.500 5.767 5.493 5.985 0.485 10 0 "[ . 1]" 3
1843 1 42 PHE H 1 43 LYS QG 5.500 . 5.500 6.143 4.715 6.439 0.939 2 9 "[*+**-* ***]" 3
1844 1 42 PHE H 1 43 LYS QD 5.500 . 6.000 5.935 5.334 6.336 0.336 8 0 "[ . 1]" 3
1845 1 42 PHE QR 1 43 LYS H 5.500 . 5.500 2.882 2.555 3.136 . 0 0 "[ . 1]" 3
1846 1 39 ILE MD 1 43 LYS H 6.500 . 6.500 4.999 4.303 5.451 . 0 0 "[ . 1]" 3
1847 1 43 LYS H 1 43 LYS QE 6.500 . 6.500 5.592 4.801 5.886 . 0 0 "[ . 1]" 3
1848 1 44 LYS H 1 45 ALA H 2.800 . 2.800 2.445 2.285 2.536 . 0 0 "[ . 1]" 3
1849 1 44 LYS H 1 46 MET H 6.500 . 6.500 4.004 3.842 4.157 . 0 0 "[ . 1]" 3
1850 1 42 PHE HA 1 44 LYS H 4.500 . 4.500 3.856 3.676 4.115 . 0 0 "[ . 1]" 3
1851 1 44 LYS H 1 45 ALA HA 5.500 . 5.500 5.035 4.844 5.170 . 0 0 "[ . 1]" 3
1852 1 43 LYS H 1 45 ALA H 4.500 . 4.500 4.137 3.935 4.217 . 0 0 "[ . 1]" 3
1853 1 42 PHE QD 1 45 ALA H 6.500 . 6.500 5.111 4.481 5.657 . 0 0 "[ . 1]" 3
1854 1 42 PHE QB 1 45 ALA H 5.500 . 5.500 5.115 4.469 5.546 0.046 8 0 "[ . 1]" 3
1855 1 43 LYS QG 1 45 ALA H 5.500 . 6.000 5.133 4.933 5.359 . 0 0 "[ . 1]" 3
1856 1 44 LYS QD 1 45 ALA H 5.500 . 5.500 5.265 4.920 5.540 0.040 9 0 "[ . 1]" 3
1857 1 45 ALA H 1 46 MET H 2.800 . 2.800 2.315 2.250 2.457 . 0 0 "[ . 1]" 3
1858 1 44 LYS HA 1 46 MET H . . 4.500 3.706 3.377 4.349 . 0 0 "[ . 1]" 3
1859 1 43 LYS QB 1 46 MET H 6.500 . 6.500 4.869 4.634 5.171 . 0 0 "[ . 1]" 3
1860 1 43 LYS QG 1 46 MET H 6.500 . 6.500 4.471 4.073 5.192 . 0 0 "[ . 1]" 3
1861 1 47 SER H 1 48 ASP H 5.500 . 5.500 4.193 3.033 4.558 . 0 0 "[ . 1]" 3
1862 1 45 ALA HA 1 47 SER H 5.500 . 5.500 4.074 3.699 4.773 . 0 0 "[ . 1]" 3
1863 1 44 LYS HA 1 47 SER H 4.500 . 4.500 3.961 3.223 5.451 0.951 1 1 "[+ . 1]" 3
1864 1 46 MET QB 1 47 SER H 4.500 . 4.500 3.814 3.688 3.940 . 0 0 "[ . 1]" 3
1865 1 46 MET QG 1 47 SER H 6.500 . 6.500 4.509 4.196 4.687 . 0 0 "[ . 1]" 3
1866 1 45 ALA MB 1 47 SER H 5.500 . 5.500 4.728 4.474 5.199 . 0 0 "[ . 1]" 3
1867 2 8 SER H 2 9 ILE H . . 4.000 4.175 2.499 4.538 0.538 1 2 "[+ . -1]" 3
1868 2 8 SER H 2 11 GLN H 5.500 . 5.500 4.252 3.060 6.074 0.574 2 1 "[ + . 1]" 3
1869 2 8 SER H 2 10 TRP H 5.500 . 5.500 4.772 4.037 5.567 0.067 2 0 "[ . 1]" 3
1870 2 8 SER H 2 11 GLN QE 5.500 . 5.500 3.956 2.975 5.367 . 0 0 "[ . 1]" 3
1871 2 9 ILE H 2 11 GLN H 4.500 . 4.500 4.812 4.418 5.061 0.561 2 2 "[ + . - 1]" 3
1872 2 9 ILE H 2 12 LEU H 4.500 . 4.500 4.789 4.659 4.933 0.433 7 0 "[ . 1]" 3
1873 2 9 ILE H 2 10 TRP HA 5.500 . 5.500 5.250 4.973 5.423 . 0 0 "[ . 1]" 3
1874 2 9 ILE H 2 10 TRP QB 5.500 . 5.500 4.318 3.880 4.482 . 0 0 "[ . 1]" 3
1875 2 9 ILE H 2 12 LEU QB 5.500 . 5.500 4.263 4.050 4.479 . 0 0 "[ . 1]" 3
1876 2 9 ILE H 2 12 LEU HG 5.500 . 6.000 5.220 4.133 5.625 . 0 0 "[ . 1]" 3
1877 2 10 TRP H 2 11 GLN QE 6.500 . 6.500 5.384 4.570 6.680 0.180 10 0 "[ . 1]" 3
1878 2 8 SER H 2 10 TRP H 5.500 . 5.500 4.182 3.812 4.450 . 0 0 "[ . 1]" 3
1879 2 9 ILE QG 2 10 TRP H 6.500 . 6.500 3.938 3.844 4.021 . 0 0 "[ . 1]" 3
1880 2 8 SER HA 2 11 GLN H 5.500 . 5.500 5.005 4.510 5.305 . 0 0 "[ . 1]" 3
1881 2 11 GLN H 2 11 GLN QE 5.500 . 5.500 3.716 2.911 4.627 . 0 0 "[ . 1]" 3
1882 2 10 TRP HD1 2 11 GLN QE 5.000 . 6.500 6.795 5.157 8.684 2.184 10 5 "[-** . * +]" 3
1883 2 8 SER HA 2 11 GLN QE 6.500 . 6.500 5.317 4.455 6.292 . 0 0 "[ . 1]" 3
1884 2 19 VAL H 2 22 LEU HG 6.500 . 7.000 4.213 4.112 4.354 . 0 0 "[ . 1]" 3
1885 2 19 VAL H 2 22 LEU QB 7.000 . 7.000 4.987 4.812 5.163 . 0 0 "[ . 1]" 3
1886 2 19 VAL H 2 23 PHE QD 6.500 . 6.500 6.447 6.266 6.609 0.109 8 0 "[ . 1]" 3
1887 2 20 VAL H 2 24 GLY H 6.500 . 6.500 6.783 6.479 7.057 0.557 6 1 "[ .+ 1]" 3
1888 2 20 VAL H 2 23 PHE QD 6.500 . 6.500 5.384 5.312 5.457 . 0 0 "[ . 1]" 3
1889 2 20 VAL H 2 22 LEU QB 6.500 . 6.500 4.806 4.744 4.878 . 0 0 "[ . 1]" 3
1890 2 20 VAL H 2 25 THR MG . . 5.500 6.007 5.727 6.258 0.758 9 6 "[- ****+1]" 3
1891 2 18 ILE H 2 21 LEU H 6.500 . 6.500 5.565 5.472 5.646 . 0 0 "[ . 1]" 3
1892 2 21 LEU H 2 24 GLY H 6.500 . 6.500 5.058 4.891 5.222 . 0 0 "[ . 1]" 3
1893 2 21 LEU H 2 23 PHE QD 6.500 . 6.500 6.084 5.997 6.192 . 0 0 "[ . 1]" 3
1894 2 21 LEU H 2 25 THR H 6.500 . 6.500 5.108 4.898 5.341 . 0 0 "[ . 1]" 3
1895 2 17 VAL H 2 21 LEU H 6.500 . 6.500 7.296 7.239 7.355 0.855 7 10 [*****-+***] 3
1896 2 21 LEU H 2 23 PHE HA 7.500 . 7.500 7.123 7.040 7.211 . 0 0 "[ . 1]" 3
1897 2 21 LEU H 2 23 PHE QB 6.500 . 6.500 6.063 5.943 6.250 . 0 0 "[ . 1]" 3
1898 2 18 ILE HB 2 21 LEU H 5.500 . 6.000 5.832 5.670 5.989 . 0 0 "[ . 1]" 3
1899 2 21 LEU H 2 22 LEU QB 5.500 . 5.500 4.445 4.303 4.559 . 0 0 "[ . 1]" 3
1900 2 22 LEU H 2 24 GLY H 6.500 . 6.500 3.905 3.726 4.040 . 0 0 "[ . 1]" 3
1901 2 22 LEU H 2 23 PHE QD 5.500 . 5.500 4.898 4.722 5.006 . 0 0 "[ . 1]" 3
1902 2 22 LEU H 2 25 THR H 6.500 . 6.500 5.027 4.839 5.217 . 0 0 "[ . 1]" 3
1903 2 22 LEU H 2 23 PHE QB 6.500 . 6.500 4.937 4.764 5.023 . 0 0 "[ . 1]" 3
1904 2 22 LEU H 2 23 PHE HA 6.500 . 6.500 5.258 5.123 5.329 . 0 0 "[ . 1]" 3
1905 2 19 VAL HB 2 22 LEU H 6.500 . 6.500 5.720 5.614 5.794 . 0 0 "[ . 1]" 3
1906 2 23 PHE H 2 23 PHE QE 5.500 . 5.500 4.637 4.533 4.762 . 0 0 "[ . 1]" 3
1907 2 23 PHE H 2 25 THR H 5.500 . 5.500 3.535 3.342 3.842 . 0 0 "[ . 1]" 3
1908 2 20 VAL H 2 23 PHE H 5.000 . 5.000 5.169 5.072 5.244 0.244 5 0 "[ . 1]" 3
1909 2 21 LEU QB 2 23 PHE H 5.500 . 5.500 5.091 4.975 5.200 . 0 0 "[ . 1]" 3
1910 2 20 VAL HB 2 23 PHE H 6.500 . 6.500 5.761 5.584 5.945 . 0 0 "[ . 1]" 3
1911 2 19 VAL HB 2 23 PHE H 6.500 . 6.500 6.555 6.390 6.795 0.295 8 0 "[ . 1]" 3
1912 2 23 PHE H 2 25 THR MG 6.500 . 6.500 5.719 5.280 6.303 . 0 0 "[ . 1]" 3
1913 2 20 VAL QG 2 23 PHE H 5.500 . 5.500 4.579 4.336 4.720 . 0 0 "[ . 1]" 3
1914 2 19 VAL QG 2 23 PHE H 4.500 . 4.500 4.064 3.937 4.222 . 0 0 "[ . 1]" 3
1915 2 24 GLY H 2 25 THR H 4.500 . 4.500 2.832 2.712 3.002 . 0 0 "[ . 1]" 3
1916 2 23 PHE QD 2 24 GLY H 5.500 . 5.500 4.736 4.691 4.769 . 0 0 "[ . 1]" 3
1917 2 23 PHE QE 2 24 GLY H 6.500 . 6.500 6.457 6.428 6.498 . 0 0 "[ . 1]" 3
1918 2 23 PHE HA 2 24 GLY H 4.500 . 4.500 3.100 3.033 3.172 . 0 0 "[ . 1]" 3
1919 2 24 GLY H 2 25 THR HB 6.500 . 6.500 6.577 5.918 6.894 0.394 2 0 "[ . 1]" 3
1920 2 20 VAL HB 2 24 GLY H 6.500 . 6.500 6.403 6.010 6.841 0.341 6 0 "[ . 1]" 3
1921 2 22 LEU QB 2 24 GLY H 5.000 . 5.000 4.441 4.351 4.554 . 0 0 "[ . 1]" 3
1922 2 22 LEU QD 2 24 GLY H 6.500 . 6.500 4.944 4.848 5.029 . 0 0 "[ . 1]" 3
1923 2 22 LEU HG 2 24 GLY H 6.500 . 6.500 6.063 5.971 6.144 . 0 0 "[ . 1]" 3
1924 2 21 LEU QB 2 24 GLY H 6.500 . 6.500 4.523 4.424 4.658 . 0 0 "[ . 1]" 3
1925 2 24 GLY H 2 26 LYS QD 6.500 . 6.500 5.493 4.905 6.061 . 0 0 "[ . 1]" 3
1926 2 24 GLY H 2 26 LYS QB 6.500 . 6.500 5.427 5.138 5.738 . 0 0 "[ . 1]" 3
1927 2 24 GLY H 2 28 LEU QD 5.500 . 6.000 5.075 4.773 5.643 . 0 0 "[ . 1]" 3
1928 2 25 THR H 2 28 LEU H 6.500 . 6.500 5.285 4.912 5.857 . 0 0 "[ . 1]" 3
1929 2 25 THR H 2 29 GLY H 6.500 . 7.000 6.467 5.946 7.264 0.264 4 0 "[ . 1]" 3
1930 2 23 PHE QB 2 25 THR H 6.500 . 6.500 3.445 3.273 3.855 . 0 0 "[ . 1]" 3
1931 2 20 VAL QG 2 25 THR H . . 4.500 3.145 2.686 3.534 . 0 0 "[ . 1]" 3
1932 2 20 VAL HB 2 25 THR H 6.500 . 6.500 5.133 4.928 5.414 . 0 0 "[ . 1]" 3
1933 2 22 LEU QB 2 25 THR H 6.500 . 7.000 5.803 5.553 6.036 . 0 0 "[ . 1]" 3
1934 2 25 THR H 2 26 LYS QB 6.500 . 6.500 4.815 4.558 4.984 . 0 0 "[ . 1]" 3
1935 2 25 THR H 2 26 LYS QD 6.500 . 6.500 5.597 5.019 6.132 . 0 0 "[ . 1]" 3
1936 2 25 THR H 2 28 LEU QD . . 3.500 3.328 2.940 3.912 0.412 2 0 "[ . 1]" 3
1937 2 23 PHE QB 2 26 LYS H 6.500 . 6.500 3.202 2.895 3.569 . 0 0 "[ . 1]" 3
1938 2 27 LYS H 2 27 LYS QE . . 5.500 4.856 4.429 5.360 . 0 0 "[ . 1]" 3
1939 2 27 LYS H 2 29 GLY QA 6.500 . 6.500 5.687 5.411 5.935 . 0 0 "[ . 1]" 3
1940 2 28 LEU H 2 32 GLY H 6.500 . 6.500 5.411 4.957 5.735 . 0 0 "[ . 1]" 3
1941 2 28 LEU H 2 30 SER H 5.500 . 5.500 4.502 4.143 5.195 . 0 0 "[ . 1]" 3
1942 2 28 LEU H 2 31 ILE H 4.500 . 4.500 5.121 4.925 5.358 0.858 1 7 "[+** .-***1]" 3
1943 2 27 LYS QG 2 28 LEU H 5.500 . 5.500 4.190 3.973 4.618 . 0 0 "[ . 1]" 3
1944 2 27 LYS QB 2 28 LEU H 3.500 . 3.500 2.554 2.305 3.611 0.111 4 0 "[ . 1]" 3
1945 2 29 GLY H 2 30 SER H . . 2.800 2.856 2.643 3.102 0.302 2 0 "[ . 1]" 3
1946 2 29 GLY H 2 33 SER H 5.500 . 5.500 5.973 5.554 6.321 0.821 5 5 "[ - +** *]" 3
1947 2 25 THR HB 2 29 GLY H 5.500 . 5.500 5.158 4.146 6.858 1.358 6 2 "[ .+ -1]" 3
1948 2 26 LYS HA 2 29 GLY H 5.500 . 5.500 3.917 3.678 4.490 . 0 0 "[ . 1]" 3
1949 2 27 LYS HA 2 29 GLY H . . 4.500 4.371 4.084 4.654 0.154 3 0 "[ . 1]" 3
1950 2 25 THR MG 2 29 GLY H 5.500 . 5.500 5.246 4.218 6.078 0.578 4 1 "[ +. 1]" 3
1951 2 27 LYS QG 2 29 GLY H 5.500 . 5.500 5.876 5.586 6.107 0.607 4 3 "[ *+. - 1]" 3
1952 2 27 LYS QB 2 29 GLY H 5.500 . 5.500 4.659 4.279 5.327 . 0 0 "[ . 1]" 3
1953 2 26 LYS QB 2 29 GLY H 5.500 . 6.000 5.107 4.772 6.024 0.024 4 0 "[ . 1]" 3
1954 2 30 SER H 2 31 ILE H 2.800 . 2.800 2.580 2.344 2.866 0.066 4 0 "[ . 1]" 3
1955 2 30 SER H 2 31 ILE HB 6.000 . 6.000 5.955 5.054 6.465 0.465 4 0 "[ . 1]" 3
1956 2 27 LYS QB 2 30 SER H 5.500 . 5.500 5.134 4.765 6.065 0.565 4 1 "[ +. 1]" 3
1957 2 29 GLY H 2 31 ILE H 4.500 . 4.500 4.614 4.268 5.178 0.678 1 2 "[+ - . 1]" 3
1958 2 31 ILE H 2 33 SER HA 6.500 . 6.500 7.081 6.920 7.159 0.659 7 8 "[*** - +***]" 3
1959 2 29 GLY QA 2 31 ILE H 4.500 . 4.500 4.678 4.310 5.145 0.645 1 2 "[+ - . 1]" 3
1960 2 28 LEU HA 2 31 ILE H 3.500 . 3.500 4.194 3.743 4.592 1.092 1 7 "[+***. **-1]" 3
1961 2 27 LYS HA 2 31 ILE H 6.500 . 6.500 3.838 3.453 4.190 . 0 0 "[ . 1]" 3
1962 2 27 LYS QB 2 31 ILE H 5.500 . 5.500 4.600 4.298 5.326 . 0 0 "[ . 1]" 3
1963 2 27 LYS QG 2 31 ILE H 5.500 . 5.500 5.920 5.643 6.284 0.784 2 4 "[ + ** -]" 3
1964 2 28 LEU HG 2 31 ILE H 6.000 . 6.500 6.470 6.054 6.755 0.255 1 0 "[ . 1]" 3
1965 2 28 LEU QB 2 31 ILE H 5.000 . 5.000 5.554 5.170 5.949 0.949 1 6 "[+ **. **-1]" 3
1966 2 31 ILE H 2 34 ASP QB 7.000 . 7.000 4.970 4.761 5.340 . 0 0 "[ . 1]" 3
1967 2 32 GLY H 2 33 SER H 2.800 . 2.800 2.586 2.491 2.684 . 0 0 "[ . 1]" 3
1968 2 29 GLY H 2 32 GLY H 6.500 . 6.500 4.664 4.360 4.858 . 0 0 "[ . 1]" 3
1969 2 30 SER HA 2 32 GLY H 4.500 2.800 4.500 4.219 4.032 4.537 0.037 1 0 "[ . 1]" 3
1970 2 29 GLY QA 2 32 GLY H 4.000 . 4.000 4.208 3.744 4.675 0.675 1 1 "[+ . 1]" 3
1971 2 28 LEU HG 2 32 GLY H 5.500 . 5.500 5.856 5.451 6.143 0.643 7 2 "[ -. + 1]" 3
1972 2 28 LEU QB 2 32 GLY H 6.500 . 6.500 4.539 4.073 4.918 . 0 0 "[ . 1]" 3
1973 2 31 ILE H 2 33 SER H 4.500 . 4.500 4.297 4.101 4.403 . 0 0 "[ . 1]" 3
1974 2 36 GLY H 2 38 SER H 5.500 . 5.500 3.760 3.657 3.849 . 0 0 "[ . 1]" 3
1975 2 31 ILE HB 2 33 SER H 5.500 . 5.500 5.910 5.710 6.189 0.689 2 3 "[ + . *-1]" 3
1976 2 38 SER H 2 39 ILE HB 5.500 . 5.500 4.250 4.049 4.443 . 0 0 "[ . 1]" 3
1977 2 33 SER H 2 36 GLY QA 5.500 . 6.000 5.242 5.042 5.376 . 0 0 "[ . 1]" 3
1978 2 30 SER HA 2 33 SER H . . 4.000 3.587 3.329 3.918 . 0 0 "[ . 1]" 3
1979 2 36 GLY QA 2 38 SER H . . 4.500 3.587 3.467 3.705 . 0 0 "[ . 1]" 3
1980 2 38 SER H 2 42 PHE QB 6.500 . 6.500 6.503 6.060 7.687 1.187 5 1 "[ + 1]" 3
1981 2 38 SER H 2 40 LYS QB 5.500 . 5.500 5.638 5.217 5.888 0.388 10 0 "[ . 1]" 3
1982 2 33 SER H 2 34 ASP H 2.800 . 2.800 2.671 2.556 2.781 . 0 0 "[ . 1]" 3
1983 2 34 ASP H 2 38 SER H 5.500 . 5.500 6.328 6.150 6.472 0.972 8 10 [***-***+**] 3
1984 2 34 ASP H 2 37 ALA H 4.500 . 4.500 4.881 4.746 5.048 0.548 2 2 "[ + . - 1]" 3
1985 2 34 ASP H 2 35 LEU H 2.800 . 2.800 2.781 2.640 2.886 0.086 5 0 "[ . 1]" 3
1986 2 34 ASP H 2 36 GLY H 4.500 . 4.500 3.877 3.742 4.042 . 0 0 "[ . 1]" 3
1987 2 31 ILE HA 2 34 ASP H 3.500 . 3.500 3.550 3.353 3.736 0.236 2 0 "[ . 1]" 3
1988 2 31 ILE QG 2 34 ASP H 6.500 . 6.500 5.207 4.748 5.497 . 0 0 "[ . 1]" 3
1989 2 34 ASP H 2 35 LEU HA 5.500 . 5.500 5.366 5.263 5.435 . 0 0 "[ . 1]" 3
1990 2 34 ASP H 2 35 LEU HG 6.000 . 6.500 5.747 4.680 6.995 0.495 1 0 "[ . 1]" 3
1991 2 34 ASP H 2 35 LEU QB 6.500 . 6.500 4.631 4.342 4.899 . 0 0 "[ . 1]" 3
1992 2 35 LEU H 2 37 ALA H 4.500 . 4.500 4.413 4.279 4.533 0.033 10 0 "[ . 1]" 3
1993 2 33 SER H 2 35 LEU H 4.500 . 4.500 4.195 4.091 4.296 . 0 0 "[ . 1]" 3
1994 2 35 LEU H 2 38 SER H 5.500 . 5.500 4.855 4.755 4.917 . 0 0 "[ . 1]" 3
1995 2 33 SER HA 2 35 LEU H 4.500 . 4.500 4.596 4.375 4.826 0.326 6 0 "[ . 1]" 3
1996 2 32 GLY QA 2 35 LEU H 3.500 . 3.500 3.655 3.470 3.849 0.349 6 0 "[ . 1]" 3
1997 2 31 ILE HB 2 35 LEU H 5.500 . 5.500 5.138 4.524 6.088 0.588 1 1 "[+ . 1]" 3
1998 2 36 GLY H 2 39 ILE H 6.500 . 6.500 4.632 4.517 4.741 . 0 0 "[ . 1]" 3
1999 2 33 SER HA 2 36 GLY H 4.500 . 4.500 3.383 3.206 3.545 . 0 0 "[ . 1]" 3
2000 2 32 GLY QA 2 36 GLY H 4.500 . 4.500 3.762 3.566 4.018 . 0 0 "[ . 1]" 3
2001 2 36 GLY H 2 38 SER QB 5.500 . 5.500 4.777 4.588 4.900 . 0 0 "[ . 1]" 3
2002 2 36 GLY H 2 39 ILE HB 6.500 . 6.500 5.020 4.556 5.372 . 0 0 "[ . 1]" 3
2003 2 36 GLY H 2 39 ILE QG 6.500 . 6.500 4.873 4.514 5.167 . 0 0 "[ . 1]" 3
2004 2 34 ASP QB 2 36 GLY H 6.500 . 6.500 4.435 4.338 4.528 . 0 0 "[ . 1]" 3
2005 2 37 ALA H 2 39 ILE H 5.500 . 5.500 4.060 3.856 4.227 . 0 0 "[ . 1]" 3
2006 2 37 ALA H 2 38 SER QB 5.500 . 5.500 4.598 4.557 4.644 . 0 0 "[ . 1]" 3
2007 2 36 GLY QA 2 39 ILE H . . 3.500 3.216 3.106 3.307 . 0 0 "[ . 1]" 3
2008 2 36 GLY QA 2 40 LYS H . . 4.500 4.444 4.213 4.636 0.136 10 0 "[ . 1]" 3
2009 2 40 LYS H 2 42 PHE QB 6.500 . 6.500 5.423 4.638 6.668 0.168 5 0 "[ . 1]" 3
2010 2 40 LYS H 2 40 LYS QE 6.500 . 6.500 4.345 4.209 4.465 . 0 0 "[ . 1]" 3
2011 2 38 SER HA 2 41 GLY H 4.500 . 4.500 3.330 3.153 3.533 . 0 0 "[ . 1]" 3
2012 2 41 GLY H 2 42 PHE QB 5.500 . 5.500 4.152 3.809 4.858 . 0 0 "[ . 1]" 3
2013 2 37 ALA HA 2 41 GLY H . . 4.500 4.996 4.542 5.302 0.802 5 5 "[ +- ***]" 3
2014 2 40 LYS QG 2 41 GLY H 5.500 . 5.500 2.732 2.212 2.964 . 0 0 "[ . 1]" 3
2015 2 40 LYS QD 2 41 GLY H 5.500 . 5.500 4.785 4.297 4.992 . 0 0 "[ . 1]" 3
2016 2 39 ILE HB 2 41 GLY H 5.500 . 5.500 5.361 5.092 5.789 0.289 2 0 "[ . 1]" 3
2017 2 39 ILE MD 2 41 GLY H 6.500 . 6.500 4.092 4.028 4.295 . 0 0 "[ . 1]" 3
2018 2 40 LYS HA 2 42 PHE H 4.500 . 4.500 4.672 4.305 5.217 0.717 5 1 "[ + 1]" 3
2019 2 39 ILE MG 2 42 PHE H 4.500 . 4.500 5.162 4.823 5.553 1.053 5 8 "[- **+** **]" 3
2020 2 39 ILE HB 2 42 PHE H 5.500 . 5.500 5.912 5.574 6.211 0.711 10 4 "[ ** -+]" 3
2021 2 42 PHE H 2 43 LYS QG 5.500 . 5.500 6.205 4.790 6.477 0.977 2 9 "[*+**** **-]" 3
2022 2 42 PHE H 2 43 LYS QD 5.500 . 6.000 6.042 5.565 6.354 0.354 8 0 "[ . 1]" 3
2023 2 42 PHE QR 2 43 LYS H 5.500 . 5.500 2.931 2.696 3.282 . 0 0 "[ . 1]" 3
2024 2 39 ILE MD 2 43 LYS H 6.500 . 6.500 5.027 4.351 5.592 . 0 0 "[ . 1]" 3
2025 2 43 LYS H 2 43 LYS QE 6.500 . 6.500 5.683 4.868 5.866 . 0 0 "[ . 1]" 3
2026 2 44 LYS H 2 45 ALA H 2.800 . 2.800 2.422 2.224 2.650 . 0 0 "[ . 1]" 3
2027 2 44 LYS H 2 46 MET H 6.500 . 6.500 3.968 3.829 4.127 . 0 0 "[ . 1]" 3
2028 2 42 PHE HA 2 44 LYS H 4.500 . 4.500 3.944 3.696 4.320 . 0 0 "[ . 1]" 3
2029 2 44 LYS H 2 45 ALA HA 5.500 . 5.500 5.042 4.819 5.266 . 0 0 "[ . 1]" 3
2030 2 43 LYS H 2 45 ALA H 4.500 . 4.500 4.126 3.897 4.248 . 0 0 "[ . 1]" 3
2031 2 42 PHE QD 2 45 ALA H 6.500 . 6.500 5.506 5.194 5.855 . 0 0 "[ . 1]" 3
2032 2 42 PHE QB 2 45 ALA H 5.500 . 5.500 5.318 4.799 5.628 0.128 8 0 "[ . 1]" 3
2033 2 43 LYS QG 2 45 ALA H 5.500 . 6.000 5.073 4.863 5.353 . 0 0 "[ . 1]" 3
2034 2 44 LYS QD 2 45 ALA H 5.500 . 5.500 5.170 4.781 5.472 . 0 0 "[ . 1]" 3
2035 2 45 ALA H 2 46 MET H 2.800 . 2.800 2.293 2.154 2.476 . 0 0 "[ . 1]" 3
2036 2 44 LYS HA 2 46 MET H . . 4.500 3.982 3.602 4.860 0.360 1 0 "[ . 1]" 3
2037 2 43 LYS QB 2 46 MET H 6.500 . 6.500 4.798 4.544 5.079 . 0 0 "[ . 1]" 3
2038 2 43 LYS QG 2 46 MET H 6.500 . 6.500 4.277 3.825 5.014 . 0 0 "[ . 1]" 3
2039 2 47 SER H 2 48 ASP H 5.500 . 5.500 3.871 3.306 4.184 . 0 0 "[ . 1]" 3
2040 2 45 ALA HA 2 47 SER H 5.500 . 5.500 4.110 3.417 5.079 . 0 0 "[ . 1]" 3
2041 2 44 LYS HA 2 47 SER H 4.500 . 4.500 5.584 5.035 6.527 2.027 4 10 [***+*****-] 3
2042 2 46 MET QB 2 47 SER H 4.500 . 4.500 3.827 3.643 3.926 . 0 0 "[ . 1]" 3
2043 2 46 MET QG 2 47 SER H 6.500 . 6.500 4.430 4.264 4.529 . 0 0 "[ . 1]" 3
2044 2 45 ALA MB 2 47 SER H 5.500 . 5.500 4.718 4.326 5.382 . 0 0 "[ . 1]" 3
2045 1 28 LEU HA 1 31 ILE HB 5.000 . 5.500 5.546 5.054 6.227 0.727 7 2 "[- . + 1]" 3
2046 1 30 SER HA 1 33 SER QB 4.500 . 4.500 3.257 2.859 3.807 . 0 0 "[ . 1]" 3
2047 1 31 ILE HA 1 34 ASP QB 4.500 . 4.500 2.862 2.552 3.141 . 0 0 "[ . 1]" 3
2048 1 35 LEU HA 1 38 SER QB 3.500 . 3.500 2.277 2.067 2.406 . 0 0 "[ . 1]" 3
2049 1 35 LEU HA 1 38 SER H 4.500 . 4.500 3.060 2.930 3.180 . 0 0 "[ . 1]" 3
2050 1 36 GLY QA 1 39 ILE HB 4.500 . 4.500 2.906 2.313 3.529 . 0 0 "[ . 1]" 3
2051 1 34 ASP HA 1 37 ALA MB 4.500 . 4.500 3.138 2.928 3.392 . 0 0 "[ . 1]" 3
2052 1 37 ALA HA 1 40 LYS QB 4.500 . 4.500 3.856 3.503 4.234 . 0 0 "[ . 1]" 3
2053 1 39 ILE HA 1 42 PHE QB . . 3.500 3.100 2.101 4.443 0.943 5 1 "[ + 1]" 3
2054 1 40 LYS HA 1 43 LYS H 3.500 . 3.500 3.769 3.594 4.015 0.515 5 1 "[ + 1]" 3
2055 1 41 GLY QA 1 44 LYS QB 4.500 . 4.500 2.633 2.137 3.249 . 0 0 "[ . 1]" 3
2056 1 42 PHE HA 1 45 ALA MB 2.800 . 2.800 3.384 2.554 3.990 1.190 8 6 "[** -. +**]" 3
2057 1 42 PHE HA 1 45 ALA H 3.500 . 3.500 3.756 3.206 4.253 0.753 8 2 "[ . +-1]" 3
2058 1 43 LYS HA 1 46 MET QB 4.500 . 4.500 3.461 2.699 4.696 0.196 6 0 "[ . 1]" 3
2059 1 43 LYS HA 1 46 MET H . . 3.500 3.454 3.144 3.804 0.304 3 0 "[ . 1]" 3
2060 1 44 LYS HA 1 47 SER QB . . 3.500 3.089 2.513 3.971 0.471 1 0 "[ . 1]" 3
2061 1 31 ILE HA 1 33 SER H 4.500 . 4.500 4.335 4.078 4.672 0.172 8 0 "[ . 1]" 3
2062 1 37 ALA HA 1 39 ILE H 4.500 . 4.500 4.213 3.976 4.491 . 0 0 "[ . 1]" 3
2063 1 38 SER HA 1 40 LYS H 4.500 . 4.500 4.280 4.108 4.388 . 0 0 "[ . 1]" 3
2064 1 43 LYS HA 1 45 ALA H 4.500 . 4.500 3.600 3.399 3.933 . 0 0 "[ . 1]" 3
2065 1 29 GLY QA 1 30 SER H 3.500 . 3.500 2.733 2.540 2.883 . 0 0 "[ . 1]" 3
2066 1 30 SER HA 1 31 ILE H 3.500 . 3.500 3.580 3.567 3.590 0.090 8 0 "[ . 1]" 3
2067 1 31 ILE HA 1 32 GLY H 3.500 . 3.500 3.495 3.449 3.523 0.023 1 0 "[ . 1]" 3
2068 1 31 ILE H 1 32 GLY H 2.800 . 2.800 2.570 2.465 2.634 . 0 0 "[ . 1]" 3
2069 1 32 GLY QA 1 33 SER H 3.500 . 3.500 2.753 2.661 2.829 . 0 0 "[ . 1]" 3
2070 1 32 GLY H 1 33 SER H 2.800 . 2.800 2.299 2.224 2.391 . 0 0 "[ . 1]" 3
2071 1 33 SER HA 1 34 ASP H 3.500 . 3.500 3.542 3.528 3.558 0.058 4 0 "[ . 1]" 3
2072 1 34 ASP HA 1 35 LEU H 3.500 . 3.500 3.566 3.557 3.574 0.074 1 0 "[ . 1]" 3
2073 1 35 LEU HA 1 36 GLY H 3.500 . 3.500 3.443 3.405 3.476 . 0 0 "[ . 1]" 3
2074 1 35 LEU QB 1 36 GLY H 4.500 . 4.500 3.037 2.943 3.127 . 0 0 "[ . 1]" 3
2075 1 35 LEU H 1 36 GLY H 2.800 . 2.800 2.539 2.469 2.583 . 0 0 "[ . 1]" 3
2076 1 36 GLY QA 1 37 ALA H 3.500 . 3.500 2.685 2.660 2.719 . 0 0 "[ . 1]" 3
2077 1 36 GLY H 1 37 ALA H 2.800 . 2.800 2.545 2.489 2.597 . 0 0 "[ . 1]" 3
2078 1 37 ALA MB 1 38 SER H 4.500 . 4.500 2.659 2.528 2.815 . 0 0 "[ . 1]" 3
2079 1 38 SER QB 1 39 ILE H 4.500 . 4.500 2.723 2.482 2.940 . 0 0 "[ . 1]" 3
2080 1 38 SER H 1 39 ILE H 2.800 . 2.800 2.506 2.437 2.567 . 0 0 "[ . 1]" 3
2081 1 39 ILE HA 1 40 LYS H 3.500 . 3.500 3.529 3.515 3.546 0.046 4 0 "[ . 1]" 3
2082 1 39 ILE HB 1 40 LYS H 4.500 . 4.500 3.686 3.210 3.942 . 0 0 "[ . 1]" 3
2083 1 40 LYS HA 1 41 GLY H 3.500 . 3.500 3.410 3.346 3.490 . 0 0 "[ . 1]" 3
2084 1 40 LYS QB 1 41 GLY H 4.500 . 4.500 3.678 3.533 3.773 . 0 0 "[ . 1]" 3
2085 1 40 LYS H 1 41 GLY H 2.800 . 2.800 2.452 2.322 2.548 . 0 0 "[ . 1]" 3
2086 1 41 GLY QA 1 42 PHE H 3.500 . 3.500 2.723 2.688 2.805 . 0 0 "[ . 1]" 3
2087 1 41 GLY H 1 42 PHE H 2.800 . 2.800 2.354 2.234 2.459 . 0 0 "[ . 1]" 3
2088 1 42 PHE HA 1 43 LYS H 3.500 . 3.500 3.536 3.500 3.564 0.064 3 0 "[ . 1]" 3
2089 1 42 PHE H 1 43 LYS H 2.800 . 2.800 2.578 2.369 2.699 . 0 0 "[ . 1]" 3
2090 1 43 LYS HA 1 44 LYS H 3.500 . 3.500 3.385 3.341 3.443 . 0 0 "[ . 1]" 3
2091 1 43 LYS QB 1 44 LYS H 4.500 . 4.500 3.141 3.044 3.238 . 0 0 "[ . 1]" 3
2092 1 43 LYS H 1 44 LYS H 2.800 . 2.800 2.491 2.307 2.648 . 0 0 "[ . 1]" 3
2093 1 44 LYS HA 1 45 ALA H 3.500 . 3.500 3.386 3.321 3.478 . 0 0 "[ . 1]" 3
2094 1 45 ALA HA 1 46 MET H 3.500 . 3.500 3.355 3.232 3.500 . 0 0 "[ . 1]" 3
2095 1 45 ALA MB 1 46 MET H 4.500 2.800 4.500 3.054 2.667 3.332 0.133 1 0 "[ . 1]" 3
2096 1 31 ILE HA 1 35 LEU H 4.500 . 4.500 3.815 3.536 4.033 . 0 0 "[ . 1]" 3
2097 1 39 ILE HA 1 43 LYS H 4.500 . 4.500 3.913 3.470 4.171 . 0 0 "[ . 1]" 3
2098 1 38 SER HA 1 39 ILE H 3.500 . 3.500 3.516 3.465 3.563 0.063 5 0 "[ . 1]" 3
2099 1 38 SER HA 1 41 GLY H 3.500 . 3.500 3.468 3.198 3.747 0.247 5 0 "[ . 1]" 3
2100 1 38 SER HA 1 42 PHE H 4.500 . 4.500 4.200 3.947 4.703 0.203 5 0 "[ . 1]" 3
2101 1 39 ILE HA 1 42 PHE H 3.500 . 3.500 3.404 3.105 3.692 0.192 10 0 "[ . 1]" 3
2102 2 28 LEU HA 2 31 ILE HB 5.000 . 5.500 5.409 4.894 6.085 0.585 7 1 "[ . + 1]" 3
2103 2 30 SER HA 2 33 SER QB 4.500 . 4.500 2.965 2.531 3.466 . 0 0 "[ . 1]" 3
2104 2 31 ILE HA 2 34 ASP QB 4.500 . 4.500 2.753 2.468 2.916 . 0 0 "[ . 1]" 3
2105 2 35 LEU HA 2 38 SER QB 3.500 . 3.500 2.461 2.347 2.542 . 0 0 "[ . 1]" 3
2106 2 35 LEU HA 2 38 SER H 4.500 . 4.500 3.404 3.318 3.470 . 0 0 "[ . 1]" 3
2107 2 36 GLY QA 2 39 ILE HB 4.500 . 4.500 2.819 2.185 3.301 . 0 0 "[ . 1]" 3
2108 2 34 ASP HA 2 37 ALA MB 4.500 . 4.500 3.448 3.210 3.691 . 0 0 "[ . 1]" 3
2109 2 37 ALA HA 2 40 LYS QB 4.500 . 4.500 3.721 3.445 3.966 . 0 0 "[ . 1]" 3
2110 2 39 ILE HA 2 42 PHE QB . . 3.500 3.294 2.292 4.699 1.199 5 3 "[ -+ *]" 3
2111 2 40 LYS HA 2 43 LYS H 3.500 . 3.500 3.915 3.728 4.263 0.763 5 1 "[ + 1]" 3
2112 2 41 GLY QA 2 44 LYS QB 4.500 . 4.500 2.527 2.147 2.917 . 0 0 "[ . 1]" 3
2113 2 42 PHE HA 2 45 ALA MB 2.800 . 2.800 3.662 2.896 4.127 1.327 8 9 [**-*.**+**] 3
2114 2 42 PHE HA 2 45 ALA H 3.500 . 3.500 3.973 3.537 4.331 0.831 8 4 "[** . +-1]" 3
2115 2 43 LYS HA 2 46 MET QB 4.500 . 4.500 3.014 2.096 4.326 . 0 0 "[ . 1]" 3
2116 2 43 LYS HA 2 46 MET H . . 3.500 3.216 3.021 3.519 0.019 9 0 "[ . 1]" 3
2117 2 44 LYS HA 2 47 SER QB . . 3.500 4.597 3.978 5.182 1.682 8 9 "[ ****-*+**]" 3
2118 2 31 ILE HA 2 33 SER H 4.500 . 4.500 4.370 4.015 4.728 0.228 2 0 "[ . 1]" 3
2119 2 37 ALA HA 2 39 ILE H 4.500 . 4.500 4.052 3.801 4.322 . 0 0 "[ . 1]" 3
2120 2 38 SER HA 2 40 LYS H 4.500 . 4.500 4.057 3.947 4.172 . 0 0 "[ . 1]" 3
2121 2 43 LYS HA 2 45 ALA H 4.500 . 4.500 3.571 3.457 3.916 . 0 0 "[ . 1]" 3
2122 2 29 GLY QA 2 30 SER H 3.500 . 3.500 2.704 2.495 2.875 . 0 0 "[ . 1]" 3
2123 2 30 SER HA 2 31 ILE H 3.500 . 3.500 3.589 3.573 3.609 0.109 8 0 "[ . 1]" 3
2124 2 31 ILE HA 2 32 GLY H 3.500 . 3.500 3.474 3.442 3.505 0.005 1 0 "[ . 1]" 3
2125 2 31 ILE H 2 32 GLY H 2.800 . 2.800 2.609 2.541 2.699 . 0 0 "[ . 1]" 3
2126 2 32 GLY QA 2 33 SER H 3.500 . 3.500 2.694 2.606 2.774 . 0 0 "[ . 1]" 3
2127 2 32 GLY H 2 33 SER H 2.800 . 2.800 2.326 2.263 2.405 . 0 0 "[ . 1]" 3
2128 2 33 SER HA 2 34 ASP H 3.500 . 3.500 3.559 3.541 3.575 0.075 2 0 "[ . 1]" 3
2129 2 34 ASP HA 2 35 LEU H 3.500 . 3.500 3.551 3.526 3.576 0.076 5 0 "[ . 1]" 3
2130 2 35 LEU HA 2 36 GLY H 3.500 . 3.500 3.469 3.426 3.517 0.017 4 0 "[ . 1]" 3
2131 2 35 LEU QB 2 36 GLY H 4.500 . 4.500 2.843 2.696 2.994 . 0 0 "[ . 1]" 3
2132 2 35 LEU H 2 36 GLY H 2.800 . 2.800 2.478 2.395 2.566 . 0 0 "[ . 1]" 3
2133 2 36 GLY QA 2 37 ALA H 3.500 . 3.500 2.605 2.540 2.658 . 0 0 "[ . 1]" 3
2134 2 36 GLY H 2 37 ALA H 2.800 . 2.800 2.742 2.687 2.814 0.014 10 0 "[ . 1]" 3
2135 2 37 ALA MB 2 38 SER H 4.500 . 4.500 3.015 2.907 3.101 . 0 0 "[ . 1]" 3
2136 2 38 SER QB 2 39 ILE H 4.500 . 4.500 2.854 2.643 3.062 . 0 0 "[ . 1]" 3
2137 2 38 SER H 2 39 ILE H 2.800 . 2.800 2.266 2.188 2.321 . 0 0 "[ . 1]" 3
2138 2 39 ILE HA 2 40 LYS H 3.500 . 3.500 3.490 3.471 3.500 0.000 3 0 "[ . 1]" 3
2139 2 39 ILE HB 2 40 LYS H 4.500 . 4.500 3.721 3.415 3.906 . 0 0 "[ . 1]" 3
2140 2 40 LYS HA 2 41 GLY H 3.500 . 3.500 3.372 3.285 3.516 0.016 2 0 "[ . 1]" 3
2141 2 40 LYS QB 2 41 GLY H 4.500 . 4.500 3.722 3.469 3.816 . 0 0 "[ . 1]" 3
2142 2 40 LYS H 2 41 GLY H 2.800 . 2.800 2.443 2.344 2.548 . 0 0 "[ . 1]" 3
2143 2 41 GLY QA 2 42 PHE H 3.500 . 3.500 2.681 2.573 2.773 . 0 0 "[ . 1]" 3
2144 2 41 GLY H 2 42 PHE H 2.800 . 2.800 2.352 2.181 2.579 . 0 0 "[ . 1]" 3
2145 2 42 PHE HA 2 43 LYS H 3.500 . 3.500 3.530 3.478 3.565 0.065 2 0 "[ . 1]" 3
2146 2 42 PHE H 2 43 LYS H 2.800 . 2.800 2.651 2.545 2.756 . 0 0 "[ . 1]" 3
2147 2 43 LYS HA 2 44 LYS H 3.500 . 3.500 3.345 3.299 3.422 . 0 0 "[ . 1]" 3
2148 2 43 LYS QB 2 44 LYS H 4.500 . 4.500 3.228 3.023 3.352 . 0 0 "[ . 1]" 3
2149 2 43 LYS H 2 44 LYS H 2.800 . 2.800 2.384 2.281 2.531 . 0 0 "[ . 1]" 3
2150 2 44 LYS HA 2 45 ALA H 3.500 . 3.500 3.396 3.293 3.510 0.010 2 0 "[ . 1]" 3
2151 2 45 ALA HA 2 46 MET H 3.500 . 3.500 3.356 3.242 3.551 0.051 1 0 "[ . 1]" 3
2152 2 45 ALA MB 2 46 MET H 4.500 2.800 4.500 3.085 2.521 3.368 0.279 1 0 "[ . 1]" 3
2153 2 31 ILE HA 2 35 LEU H 4.500 . 4.500 3.890 3.634 4.079 . 0 0 "[ . 1]" 3
2154 2 39 ILE HA 2 43 LYS H 4.500 . 4.500 4.030 3.578 4.281 . 0 0 "[ . 1]" 3
2155 2 38 SER HA 2 39 ILE H 3.500 . 3.500 3.469 3.396 3.523 0.023 3 0 "[ . 1]" 3
2156 2 38 SER HA 2 41 GLY H 3.500 . 3.500 3.383 3.188 3.601 0.101 5 0 "[ . 1]" 3
2157 2 38 SER HA 2 42 PHE H 4.500 . 4.500 4.213 4.023 4.599 0.099 5 0 "[ . 1]" 3
2158 2 39 ILE HA 2 42 PHE H 3.500 . 3.500 3.512 3.164 3.830 0.330 10 0 "[ . 1]" 3
2159 1 20 VAL QG 1 24 GLY QA . . 6.000 4.359 3.975 4.698 . 0 0 "[ . 1]" 3
2160 1 20 VAL QG 1 28 LEU HG 5.500 . 5.500 4.326 3.883 4.774 . 0 0 "[ . 1]" 3
2161 1 19 VAL QG 1 28 LEU HG . 2.800 5.500 3.365 3.043 3.623 . 0 0 "[ . 1]" 3
2162 1 20 VAL QG 1 28 LEU QB . . 4.500 3.424 3.228 3.661 . 0 0 "[ . 1]" 3
2163 1 19 VAL QG 1 22 LEU QB 5.500 . 5.500 3.008 2.914 3.080 . 0 0 "[ . 1]" 3
2164 1 19 VAL QG 1 22 LEU HG 5.500 . 5.500 4.809 4.687 4.924 . 0 0 "[ . 1]" 3
2165 1 20 VAL HA 1 28 LEU QD 3.500 . 3.500 1.986 1.774 2.267 0.026 8 0 "[ . 1]" 3
2166 1 20 VAL QG 1 21 LEU HA 5.500 . 6.000 3.378 3.273 3.476 . 0 0 "[ . 1]" 3
2167 1 17 VAL H 1 20 VAL QG 6.500 . 6.500 4.293 4.205 4.477 . 0 0 "[ . 1]" 3
2168 1 21 LEU H 1 25 THR MG 4.500 . 5.000 5.674 4.624 6.185 1.185 4 8 "[***+.** *-]" 3
2169 1 20 VAL HA 1 23 PHE H 4.500 . 4.500 4.116 3.935 4.252 . 0 0 "[ . 1]" 3
2170 1 21 LEU QD 1 25 THR MG 5.500 . 5.500 2.629 2.229 3.001 . 0 0 "[ . 1]" 3
2171 1 25 THR H 1 28 LEU HG 6.500 . 6.500 5.740 5.511 5.985 . 0 0 "[ . 1]" 3
2172 1 28 LEU HG 1 29 GLY H . . 5.000 4.733 4.411 4.960 . 0 0 "[ . 1]" 3
2173 1 20 VAL HA 1 24 GLY QA 6.500 . 6.500 5.471 5.080 5.823 . 0 0 "[ . 1]" 3
2174 1 19 VAL HA 1 22 LEU HA 6.500 . 6.500 4.793 4.681 4.867 . 0 0 "[ . 1]" 3
2175 1 25 THR MG 1 28 LEU QB . . 5.500 2.526 2.045 3.800 . 0 0 "[ . 1]" 3
2176 1 25 THR MG 1 28 LEU HG 6.500 . 6.500 4.778 4.505 5.754 . 0 0 "[ . 1]" 3
2177 1 19 VAL QG 1 25 THR H 6.500 . 6.500 5.058 4.867 5.334 . 0 0 "[ . 1]" 3
2178 1 17 VAL H 1 19 VAL QG 6.500 . 6.500 4.914 4.841 4.959 . 0 0 "[ . 1]" 3
2179 1 22 LEU QB 1 23 PHE HA 5.500 . 5.500 4.098 4.038 4.160 . 0 0 "[ . 1]" 3
2180 1 23 PHE HA 1 26 LYS QD 6.500 . 6.500 4.323 3.577 5.195 . 0 0 "[ . 1]" 3
2181 1 19 VAL QG 1 23 PHE HA . . 6.000 5.610 5.460 5.726 . 0 0 "[ . 1]" 3
2182 1 22 LEU HG 1 23 PHE QB 6.500 . 6.500 6.594 6.543 6.646 0.146 9 0 "[ . 1]" 3
2183 1 23 PHE QB 1 28 LEU HG 6.500 . 6.500 4.900 4.540 5.562 . 0 0 "[ . 1]" 3
2184 1 22 LEU QB 1 25 THR HB 6.500 . 6.500 4.359 3.594 5.112 . 0 0 "[ . 1]" 3
2185 1 22 LEU HA 1 25 THR MG 6.500 . 7.000 8.691 7.426 9.170 2.170 4 9 "[***+-** **]" 3
2186 1 24 GLY QA 1 25 THR MG 5.500 . 5.500 4.739 3.363 5.015 . 0 0 "[ . 1]" 3
2187 1 21 LEU HG 1 25 THR MG 5.500 . 6.000 7.825 6.361 8.454 2.454 4 9 "[***+-** **]" 3
2188 1 25 THR MG 1 26 LYS QB 6.500 . 6.500 5.611 5.463 5.897 . 0 0 "[ . 1]" 3
2189 1 25 THR HB 1 28 LEU QB 6.500 . 6.500 4.170 3.524 4.762 . 0 0 "[ . 1]" 3
2190 1 21 LEU H 1 28 LEU QD 6.500 . 6.500 4.607 4.382 4.879 . 0 0 "[ . 1]" 3
2191 1 23 PHE H 1 28 LEU QD . . 5.500 3.778 3.447 4.411 . 0 0 "[ . 1]" 3
2192 1 20 VAL H 1 28 LEU QD 6.000 . 6.000 3.529 3.310 3.758 . 0 0 "[ . 1]" 3
2193 1 28 LEU QD 1 32 GLY H 5.500 . 5.500 5.307 5.024 5.561 0.061 4 0 "[ . 1]" 3
2194 1 21 LEU HA 1 28 LEU QD 6.500 . 6.500 5.098 4.867 5.361 . 0 0 "[ . 1]" 3
2195 1 24 GLY QA 1 28 LEU QD 5.500 . 5.500 4.709 4.445 5.018 . 0 0 "[ . 1]" 3
2196 2 20 VAL QG 2 24 GLY QA . . 6.000 4.718 4.287 5.212 . 0 0 "[ . 1]" 3
2197 2 20 VAL QG 2 28 LEU HG 5.500 . 5.500 3.530 3.200 3.628 . 0 0 "[ . 1]" 3
2198 2 19 VAL QG 2 28 LEU HG . 2.800 5.500 3.483 3.012 3.933 . 0 0 "[ . 1]" 3
2199 2 20 VAL QG 2 28 LEU QB . . 4.500 3.320 3.112 3.675 . 0 0 "[ . 1]" 3
2200 2 19 VAL QG 2 22 LEU QB 5.500 . 5.500 3.170 3.018 3.249 . 0 0 "[ . 1]" 3
2201 2 19 VAL QG 2 22 LEU HG 5.500 . 5.500 3.800 3.570 3.951 . 0 0 "[ . 1]" 3
2202 2 20 VAL HA 2 28 LEU QD 3.500 . 3.500 1.923 1.780 2.437 0.020 6 0 "[ . 1]" 3
2203 2 20 VAL QG 2 21 LEU HA 5.500 . 6.000 3.648 3.522 3.758 . 0 0 "[ . 1]" 3
2204 2 17 VAL H 2 20 VAL QG 6.500 . 6.500 4.277 4.155 4.375 . 0 0 "[ . 1]" 3
2205 2 21 LEU H 2 25 THR MG 4.500 . 5.000 5.069 4.729 5.495 0.495 9 0 "[ . 1]" 3
2206 2 20 VAL HA 2 23 PHE H 4.500 . 4.500 3.856 3.657 3.989 . 0 0 "[ . 1]" 3
2207 2 21 LEU QD 2 25 THR MG 5.500 . 5.500 2.970 2.472 3.517 . 0 0 "[ . 1]" 3
2208 2 25 THR H 2 28 LEU HG 6.500 . 6.500 6.153 5.555 7.120 0.620 2 1 "[ + . 1]" 3
2209 2 28 LEU HG 2 29 GLY H . . 5.000 4.633 3.988 5.023 0.023 4 0 "[ . 1]" 3
2210 2 20 VAL HA 2 24 GLY QA 6.500 . 6.500 5.777 5.424 6.180 . 0 0 "[ . 1]" 3
2211 2 19 VAL HA 2 22 LEU HA 6.500 . 6.500 5.141 5.045 5.215 . 0 0 "[ . 1]" 3
2212 2 25 THR MG 2 28 LEU QB . . 5.500 4.176 2.966 4.695 . 0 0 "[ . 1]" 3
2213 2 25 THR MG 2 28 LEU HG 6.500 . 6.500 5.712 4.929 6.455 . 0 0 "[ . 1]" 3
2214 2 19 VAL QG 2 25 THR H 6.500 . 6.500 5.537 5.225 5.754 . 0 0 "[ . 1]" 3
2215 2 17 VAL H 2 19 VAL QG 6.500 . 6.500 5.090 4.998 5.160 . 0 0 "[ . 1]" 3
2216 2 22 LEU QB 2 23 PHE HA 5.500 . 5.500 4.000 3.941 4.052 . 0 0 "[ . 1]" 3
2217 2 23 PHE HA 2 26 LYS QD 6.500 . 6.500 4.879 4.134 5.873 . 0 0 "[ . 1]" 3
2218 2 19 VAL QG 2 23 PHE HA . . 6.000 5.618 5.425 5.728 . 0 0 "[ . 1]" 3
2219 2 22 LEU HG 2 23 PHE QB 6.500 . 6.500 6.345 6.211 6.386 . 0 0 "[ . 1]" 3
2220 2 23 PHE QB 2 28 LEU HG 6.500 . 6.500 4.967 4.413 5.899 . 0 0 "[ . 1]" 3
2221 2 22 LEU QB 2 25 THR HB 6.500 . 6.500 4.684 3.772 6.656 0.156 9 0 "[ . 1]" 3
2222 2 22 LEU HA 2 25 THR MG 6.500 . 7.000 7.792 7.262 8.538 1.538 9 5 "[ - ** +*]" 3
2223 2 24 GLY QA 2 25 THR MG 5.500 . 5.500 3.827 2.978 5.004 . 0 0 "[ . 1]" 3
2224 2 21 LEU HG 2 25 THR MG 5.500 . 6.000 6.977 6.513 7.598 1.598 9 10 [***-****+*] 3
2225 2 25 THR MG 2 26 LYS QB 6.500 . 6.500 5.732 5.403 5.854 . 0 0 "[ . 1]" 3
2226 2 25 THR HB 2 28 LEU QB 6.500 . 6.500 4.334 3.692 5.459 . 0 0 "[ . 1]" 3
2227 2 21 LEU H 2 28 LEU QD 6.500 . 6.500 4.664 4.489 4.916 . 0 0 "[ . 1]" 3
2228 2 23 PHE H 2 28 LEU QD . . 5.500 4.215 3.865 4.927 . 0 0 "[ . 1]" 3
2229 2 20 VAL H 2 28 LEU QD 6.000 . 6.000 3.611 3.230 3.900 . 0 0 "[ . 1]" 3
2230 2 28 LEU QD 2 32 GLY H 5.500 . 5.500 5.309 5.039 5.585 0.085 4 0 "[ . 1]" 3
2231 2 21 LEU HA 2 28 LEU QD 6.500 . 6.500 5.129 4.938 5.354 . 0 0 "[ . 1]" 3
2232 2 24 GLY QA 2 28 LEU QD 5.500 . 5.500 5.087 4.757 5.490 . 0 0 "[ . 1]" 3
2233 1 28 LEU HA 1 28 LEU HG 4.500 . 4.500 2.458 2.212 2.778 . 0 0 "[ . 1]" 3
2234 1 28 LEU HA 1 28 LEU QD 3.500 . 3.500 3.039 2.952 3.181 . 0 0 "[ . 1]" 3
2235 1 25 THR H 1 26 LYS QG 6.500 . 6.500 4.716 4.307 5.286 . 0 0 "[ . 1]" 3
2236 1 26 LYS H 1 26 LYS QG 4.500 . 4.500 2.617 2.331 2.993 . 0 0 "[ . 1]" 3
2237 1 25 THR H 1 25 THR MG 3.500 . 3.500 3.610 2.613 3.856 0.356 1 0 "[ . 1]" 3
2238 1 25 THR MG 1 26 LYS H 4.500 . 4.500 4.337 4.309 4.427 . 0 0 "[ . 1]" 3
2239 1 28 LEU H 1 28 LEU QB . . 3.500 2.446 2.221 2.709 . 0 0 "[ . 1]" 3
2240 1 22 LEU MD2 1 23 PHE QE 6.000 . 6.000 1.896 1.833 1.974 . 0 0 "[ . 1]" 3
2241 1 27 LYS QE 1 28 LEU HA 6.000 . 6.500 5.744 3.955 7.826 1.326 4 4 "[ +-* *]" 3
2242 1 28 LEU H 1 28 LEU HG 4.500 . 4.500 2.803 2.216 3.484 . 0 0 "[ . 1]" 3
2243 1 28 LEU H 1 28 LEU QD . . 2.800 1.968 1.677 2.464 0.123 9 0 "[ . 1]" 3
2244 1 25 THR HA 1 25 THR MG 2.800 . 2.800 2.243 2.156 2.366 . 0 0 "[ . 1]" 3
2245 1 25 THR HA 1 26 LYS H 4.500 . 4.500 3.076 2.858 3.231 . 0 0 "[ . 1]" 3
2246 1 25 THR HB 1 26 LYS H 5.500 . 5.500 4.022 3.776 4.438 . 0 0 "[ . 1]" 3
2247 1 25 THR MG 1 26 LYS HA 5.500 . 5.500 4.852 4.476 5.607 0.107 5 0 "[ . 1]" 3
2248 1 22 LEU MD1 1 23 PHE QE 5.000 . 5.600 2.866 2.794 3.008 . 0 0 "[ . 1]" 3
2249 1 23 PHE H 1 23 PHE QB . . 3.500 2.785 2.722 2.845 . 0 0 "[ . 1]" 3
2250 1 27 LYS HA 1 28 LEU H . . 3.500 3.437 3.244 3.533 0.033 9 0 "[ . 1]" 3
2251 1 22 LEU MD1 1 23 PHE QD 6.000 . 6.000 4.199 4.082 4.315 . 0 0 "[ . 1]" 3
2252 1 22 LEU MD1 1 23 PHE HA 6.500 . 6.500 5.730 5.620 5.829 . 0 0 "[ . 1]" 3
2253 1 22 LEU MD2 1 23 PHE QD 6.000 . 6.000 2.762 2.670 2.820 . 0 0 "[ . 1]" 3
2254 1 22 LEU MD2 1 23 PHE HA 6.500 . 6.500 3.841 3.759 4.016 . 0 0 "[ . 1]" 3
2255 1 23 PHE HA 1 23 PHE QE 5.500 . 5.500 4.691 4.613 4.799 . 0 0 "[ . 1]" 3
2256 1 23 PHE HA 1 24 GLY QA 5.500 . 5.500 4.146 4.117 4.213 . 0 0 "[ . 1]" 3
2257 1 23 PHE QB 1 24 GLY H . . 4.500 3.636 3.176 3.741 . 0 0 "[ . 1]" 3
2258 1 23 PHE QB 1 24 GLY QA 5.500 . 5.500 4.355 4.161 4.426 . 0 0 "[ . 1]" 3
2259 1 23 PHE H 1 24 GLY QA 4.500 . 4.500 4.093 3.931 4.184 . 0 0 "[ . 1]" 3
2260 1 25 THR HB 1 26 LYS QB 6.500 . 6.500 5.659 5.332 6.058 . 0 0 "[ . 1]" 3
2261 1 24 GLY H 1 25 THR MG 5.500 . 5.500 5.807 4.657 6.148 0.648 1 8 "[+***.** *-]" 3
2262 1 25 THR MG 1 26 LYS QG 6.500 . 6.500 5.493 5.217 5.893 . 0 0 "[ . 1]" 3
2263 1 25 THR HB 1 26 LYS HA 5.500 . 5.500 4.497 4.299 4.851 . 0 0 "[ . 1]" 3
2264 1 25 THR HA 1 26 LYS HA 4.500 . 4.500 4.771 4.683 4.835 0.335 4 0 "[ . 1]" 3
2265 1 27 LYS HA 1 28 LEU QD 5.500 . 5.500 4.749 4.538 5.044 . 0 0 "[ . 1]" 3
2266 1 27 LYS QE 1 28 LEU H 6.500 . 6.500 4.906 3.285 6.701 0.201 4 0 "[ . 1]" 3
2267 1 28 LEU HA 1 29 GLY H . . 3.500 3.469 3.391 3.516 0.016 3 0 "[ . 1]" 3
2268 1 28 LEU QD 1 29 GLY QA . . 5.500 4.591 4.280 4.767 . 0 0 "[ . 1]" 3
2269 1 22 LEU QB 1 23 PHE QD 6.500 . 6.500 3.195 3.159 3.229 . 0 0 "[ . 1]" 3
2270 1 22 LEU MD1 1 23 PHE HZ 7.000 . 7.000 2.394 2.307 2.479 . 0 0 "[ . 1]" 3
2271 1 24 GLY QA 1 25 THR HA 5.500 . 5.500 4.508 4.462 4.555 . 0 0 "[ . 1]" 3
2272 1 25 THR HA 1 26 LYS QB 6.500 . 6.500 4.930 4.705 5.128 . 0 0 "[ . 1]" 3
2273 1 25 THR HA 1 26 LYS QG 6.500 . 6.500 5.243 4.908 5.606 . 0 0 "[ . 1]" 3
2274 1 25 THR HB 1 26 LYS QG 6.500 . 6.500 5.008 4.440 5.701 . 0 0 "[ . 1]" 3
2275 1 26 LYS HA 1 28 LEU QD 6.500 . 7.000 4.919 4.628 5.138 . 0 0 "[ . 1]" 3
2276 1 26 LYS QB 1 28 LEU QB 6.500 . 6.500 5.813 4.995 6.400 . 0 0 "[ . 1]" 3
2277 1 27 LYS H 1 28 LEU H 3.500 . 3.500 2.224 1.643 2.476 0.157 2 0 "[ . 1]" 3
2278 1 23 PHE H 1 24 GLY H 3.500 . 3.500 2.287 1.929 2.454 . 0 0 "[ . 1]" 3
2279 1 22 LEU QB 1 23 PHE H 3.500 . 3.500 2.653 2.583 2.727 . 0 0 "[ . 1]" 3
2280 1 28 LEU H 1 29 GLY H 3.500 . 3.500 2.618 2.501 2.747 . 0 0 "[ . 1]" 3
2281 1 27 LYS H 1 28 LEU H 3.500 . 3.500 2.469 1.661 2.817 0.139 2 0 "[ . 1]" 3
2282 1 28 LEU QB 1 29 GLY H 4.500 . 4.500 2.882 2.665 3.155 . 0 0 "[ . 1]" 3
2283 1 26 LYS QB 1 27 LYS H 3.500 . 3.500 2.484 1.999 3.465 . 0 0 "[ . 1]" 3
2284 1 22 LEU HA 1 23 PHE H 3.500 . 3.500 3.533 3.522 3.542 0.042 9 0 "[ . 1]" 3
2285 1 28 LEU H 1 29 GLY QA . . 4.500 4.509 4.382 4.624 0.124 3 0 "[ . 1]" 3
2286 1 24 GLY H 1 24 GLY QA 2.800 . 2.800 2.194 2.185 2.233 . 0 0 "[ . 1]" 3
2287 1 22 LEU QD 1 23 PHE H 5.500 . 5.500 3.791 3.719 3.896 . 0 0 "[ . 1]" 3
2288 1 24 GLY QA 1 25 THR H 2.800 . 2.800 2.768 2.676 2.852 0.052 10 0 "[ . 1]" 3
2289 1 23 PHE H 1 23 PHE QD 4.500 . 4.500 3.059 2.891 3.228 . 0 0 "[ . 1]" 3
2290 1 26 LYS QB 1 28 LEU H 5.500 . 5.500 4.426 3.763 4.837 . 0 0 "[ . 1]" 3
2291 1 28 LEU QD 1 29 GLY H 3.500 . 3.500 3.659 3.184 3.943 0.443 4 0 "[ . 1]" 3
2292 1 27 LYS QE 1 31 ILE MD 5.500 . 5.500 5.148 2.213 6.960 1.460 4 4 "[ +*- *]" 3
2293 1 27 LYS QE 1 31 ILE MG 5.500 . 6.000 4.304 3.551 4.905 . 0 0 "[ . 1]" 3
2294 1 27 LYS HA 1 31 ILE MG 4.500 . 5.000 3.325 2.512 3.979 . 0 0 "[ . 1]" 3
2295 1 27 LYS QG 1 31 ILE MG 6.500 . 6.500 2.886 1.937 4.049 . 0 0 "[ . 1]" 3
2296 1 27 LYS QB 1 30 SER QB 6.500 . 6.500 4.701 3.344 5.931 . 0 0 "[ . 1]" 3
2297 1 27 LYS QE 1 30 SER QB 5.500 . 6.000 5.539 3.435 7.542 1.542 1 5 "[+ - . ***1]" 3
2298 1 27 LYS QD 1 30 SER QB 5.500 . 6.000 4.457 2.358 7.371 1.371 9 1 "[ . +1]" 3
2299 1 27 LYS HA 1 29 GLY QA 5.500 . 5.500 5.216 4.879 5.644 0.144 7 0 "[ . 1]" 3
2300 1 27 LYS HA 1 30 SER HA 6.500 . 6.500 5.655 4.991 6.467 . 0 0 "[ . 1]" 3
2301 1 27 LYS HA 1 30 SER QB 5.500 . 5.500 3.544 3.067 4.356 . 0 0 "[ . 1]" 3
2302 1 28 LEU HA 1 30 SER HA 7.000 . 7.000 6.641 6.394 6.993 . 0 0 "[ . 1]" 3
2303 1 26 LYS HA 1 30 SER QB 6.000 . 6.000 6.097 5.101 7.159 1.159 2 5 "[ + **- *]" 3
2304 1 28 LEU HG 1 29 GLY QA 5.500 . 5.500 5.901 5.806 6.014 0.514 2 1 "[ + . 1]" 3
2305 1 28 LEU QB 1 29 GLY QA 5.500 . 5.500 3.666 3.585 3.749 . 0 0 "[ . 1]" 3
2306 1 26 LYS HA 1 27 LYS H 4.500 . 4.500 3.518 3.233 3.581 . 0 0 "[ . 1]" 3
2307 1 26 LYS HA 1 28 LEU H 5.500 . 5.500 4.662 4.244 5.042 . 0 0 "[ . 1]" 3
2308 1 23 PHE HA 1 26 LYS QB 6.500 . 6.500 4.506 4.213 4.716 . 0 0 "[ . 1]" 3
2309 1 26 LYS H 1 26 LYS QB 3.500 . 3.500 2.256 2.128 2.371 . 0 0 "[ . 1]" 3
2310 2 28 LEU HA 2 28 LEU HG 4.500 . 4.500 2.588 2.282 3.244 . 0 0 "[ . 1]" 3
2311 2 28 LEU HA 2 28 LEU QD 3.500 . 3.500 3.100 2.954 3.343 . 0 0 "[ . 1]" 3
2312 2 25 THR H 2 26 LYS QG 6.500 . 6.500 4.695 4.195 5.972 . 0 0 "[ . 1]" 3
2313 2 26 LYS H 2 26 LYS QG 4.500 . 4.500 2.746 2.141 3.503 . 0 0 "[ . 1]" 3
2314 2 25 THR H 2 25 THR MG 3.500 . 3.500 3.025 2.591 3.850 0.350 6 0 "[ . 1]" 3
2315 2 25 THR MG 2 26 LYS H 4.500 . 4.500 4.225 4.046 4.434 . 0 0 "[ . 1]" 3
2316 2 28 LEU H 2 28 LEU QB . . 3.500 2.601 2.397 2.978 . 0 0 "[ . 1]" 3
2317 2 22 LEU QD 2 23 PHE QE . . 5.600 3.815 3.660 3.939 . 0 0 "[ . 1]" 3
2318 2 27 LYS QE 2 28 LEU HA 6.000 . 6.500 6.136 5.320 7.463 0.963 6 3 "[ .+* -1]" 3
2319 2 28 LEU H 2 28 LEU HG 4.500 . 4.500 2.704 1.738 3.847 0.062 9 0 "[ . 1]" 3
2320 2 28 LEU H 2 28 LEU QD . . 2.800 1.913 1.697 2.555 0.103 5 0 "[ . 1]" 3
2321 2 25 THR HA 2 25 THR MG 2.800 . 2.800 2.335 2.124 2.496 . 0 0 "[ . 1]" 3
2322 2 25 THR HA 2 26 LYS H 4.500 . 4.500 3.029 2.511 3.331 . 0 0 "[ . 1]" 3
2323 2 25 THR HB 2 26 LYS H 5.500 . 5.500 4.288 3.739 4.457 . 0 0 "[ . 1]" 3
2324 2 25 THR MG 2 26 LYS HA 5.500 . 5.500 5.181 4.245 5.549 0.049 4 0 "[ . 1]" 3
2325 2 23 PHE H 2 23 PHE QB . . 3.500 2.610 2.554 2.662 . 0 0 "[ . 1]" 3
2326 2 27 LYS HA 2 28 LEU H . . 3.500 3.523 3.153 3.598 0.098 9 0 "[ . 1]" 3
2327 2 22 LEU QD 2 23 PHE QD 6.000 . 6.000 4.438 4.371 4.500 . 0 0 "[ . 1]" 3
2328 2 22 LEU QD 2 23 PHE HA 6.500 . 6.500 5.108 5.047 5.198 . 0 0 "[ . 1]" 3
2329 2 23 PHE HA 2 23 PHE QE 5.500 . 5.500 4.510 4.416 4.611 . 0 0 "[ . 1]" 3
2330 2 23 PHE HA 2 24 GLY QA 5.500 . 5.500 4.155 4.099 4.190 . 0 0 "[ . 1]" 3
2331 2 23 PHE QB 2 24 GLY H . . 4.500 3.634 3.542 3.720 . 0 0 "[ . 1]" 3
2332 2 23 PHE QB 2 24 GLY QA 5.500 . 5.500 4.348 4.308 4.375 . 0 0 "[ . 1]" 3
2333 2 23 PHE H 2 24 GLY QA 4.500 . 4.500 4.217 4.104 4.375 . 0 0 "[ . 1]" 3
2334 2 25 THR HB 2 26 LYS QB 6.500 . 6.500 5.809 5.123 6.170 . 0 0 "[ . 1]" 3
2335 2 24 GLY H 2 25 THR MG 5.500 . 5.500 5.060 4.329 6.009 0.509 6 1 "[ .+ 1]" 3
2336 2 25 THR MG 2 26 LYS QG 6.500 . 6.500 5.061 4.623 5.767 . 0 0 "[ . 1]" 3
2337 2 25 THR HB 2 26 LYS HA 5.500 . 5.500 4.659 4.123 4.984 . 0 0 "[ . 1]" 3
2338 2 25 THR HA 2 26 LYS HA 4.500 . 4.500 4.638 4.381 4.854 0.354 3 0 "[ . 1]" 3
2339 2 27 LYS HA 2 28 LEU QD 5.500 . 5.500 4.717 4.347 4.916 . 0 0 "[ . 1]" 3
2340 2 27 LYS QE 2 28 LEU H 6.500 . 6.500 5.555 4.918 6.426 . 0 0 "[ . 1]" 3
2341 2 28 LEU HA 2 29 GLY H . . 3.500 3.520 3.447 3.553 0.053 3 0 "[ . 1]" 3
2342 2 28 LEU QD 2 29 GLY QA . . 5.500 4.388 3.499 4.675 . 0 0 "[ . 1]" 3
2343 2 22 LEU QB 2 23 PHE QD 6.500 . 6.500 3.393 3.318 3.467 . 0 0 "[ . 1]" 3
2344 2 22 LEU QD 2 23 PHE HZ 7.000 . 7.000 3.899 3.623 4.140 . 0 0 "[ . 1]" 3
2345 2 24 GLY QA 2 25 THR HA 5.500 . 5.500 4.480 4.429 4.544 . 0 0 "[ . 1]" 3
2346 2 25 THR HA 2 26 LYS QB 6.500 . 6.500 5.063 4.777 5.266 . 0 0 "[ . 1]" 3
2347 2 25 THR HA 2 26 LYS QG 6.500 . 6.500 4.987 4.417 5.950 . 0 0 "[ . 1]" 3
2348 2 25 THR HB 2 26 LYS QG 6.500 . 6.500 4.924 3.991 5.556 . 0 0 "[ . 1]" 3
2349 2 26 LYS HA 2 28 LEU QD 6.500 . 7.000 4.768 4.138 5.099 . 0 0 "[ . 1]" 3
2350 2 26 LYS QB 2 28 LEU QB 6.500 . 6.500 6.127 5.584 6.795 0.295 9 0 "[ . 1]" 3
2351 2 27 LYS H 2 28 LEU H 3.500 . 3.500 2.471 1.820 2.624 . 0 0 "[ . 1]" 3
2352 2 23 PHE H 2 24 GLY H 3.500 . 3.500 2.438 2.241 2.634 . 0 0 "[ . 1]" 3
2353 2 22 LEU QB 2 23 PHE H 3.500 . 3.500 2.655 2.572 2.824 . 0 0 "[ . 1]" 3
2354 2 28 LEU H 2 29 GLY H 3.500 . 3.500 2.705 2.128 2.867 . 0 0 "[ . 1]" 3
2355 2 27 LYS H 2 28 LEU H 3.500 . 3.500 2.844 1.975 3.155 . 0 0 "[ . 1]" 3
2356 2 28 LEU QB 2 29 GLY H 4.500 . 4.500 2.635 2.402 3.249 . 0 0 "[ . 1]" 3
2357 2 26 LYS QB 2 27 LYS H 3.500 . 3.500 2.463 2.053 3.634 0.134 4 0 "[ . 1]" 3
2358 2 22 LEU HA 2 23 PHE H 3.500 . 3.500 3.517 3.482 3.534 0.034 7 0 "[ . 1]" 3
2359 2 28 LEU H 2 29 GLY QA . . 4.500 4.569 4.083 4.705 0.205 10 0 "[ . 1]" 3
2360 2 24 GLY H 2 24 GLY QA 2.800 . 2.800 2.189 2.182 2.195 . 0 0 "[ . 1]" 3
2361 2 22 LEU QD 2 23 PHE H 5.500 . 5.500 4.120 4.089 4.170 . 0 0 "[ . 1]" 3
2362 2 24 GLY QA 2 25 THR H 2.800 . 2.800 2.715 2.584 2.853 0.053 6 0 "[ . 1]" 3
2363 2 23 PHE H 2 23 PHE QD 4.500 . 4.500 3.261 3.063 3.393 . 0 0 "[ . 1]" 3
2364 2 26 LYS QB 2 28 LEU H 5.500 . 5.500 4.705 4.395 4.974 . 0 0 "[ . 1]" 3
2365 2 28 LEU QD 2 29 GLY H 3.500 . 3.500 3.368 2.429 3.887 0.387 4 0 "[ . 1]" 3
2366 2 27 LYS QE 2 31 ILE MD 5.500 . 5.500 3.645 2.465 5.457 . 0 0 "[ . 1]" 3
2367 2 27 LYS QE 2 31 ILE MG 5.500 . 6.000 3.135 2.317 4.336 . 0 0 "[ . 1]" 3
2368 2 27 LYS HA 2 31 ILE MG 4.500 . 5.000 3.100 2.662 3.451 . 0 0 "[ . 1]" 3
2369 2 27 LYS QG 2 31 ILE MG 6.500 . 6.500 4.251 3.987 4.460 . 0 0 "[ . 1]" 3
2370 2 27 LYS QB 2 30 SER QB 6.500 . 6.500 5.592 4.864 6.270 . 0 0 "[ . 1]" 3
2371 2 27 LYS QE 2 30 SER QB 5.500 . 6.000 5.871 4.244 6.908 0.908 4 2 "[ +. -1]" 3
2372 2 27 LYS QD 2 30 SER QB 5.500 . 6.000 4.869 4.041 5.652 . 0 0 "[ . 1]" 3
2373 2 27 LYS HA 2 29 GLY QA 5.500 . 5.500 5.461 5.228 5.764 0.264 4 0 "[ . 1]" 3
2374 2 27 LYS HA 2 30 SER HA 6.500 . 6.500 6.325 5.828 6.885 0.385 2 0 "[ . 1]" 3
2375 2 27 LYS HA 2 30 SER QB 5.500 . 5.500 4.216 3.257 4.980 . 0 0 "[ . 1]" 3
2376 2 28 LEU HA 2 30 SER HA 7.000 . 7.000 6.582 6.308 7.005 0.005 4 0 "[ . 1]" 3
2377 2 26 LYS HA 2 30 SER QB 6.000 . 6.000 6.136 5.229 7.077 1.077 6 4 "[ * -.+ *]" 3
2378 2 28 LEU HG 2 29 GLY QA 5.500 . 5.500 5.867 5.448 6.005 0.505 2 1 "[ + . 1]" 3
2379 2 28 LEU QB 2 29 GLY QA 5.500 . 5.500 3.533 3.460 3.661 . 0 0 "[ . 1]" 3
2380 2 26 LYS HA 2 27 LYS H 4.500 . 4.500 3.516 3.080 3.580 . 0 0 "[ . 1]" 3
2381 2 26 LYS HA 2 28 LEU H 5.500 . 5.500 4.714 3.857 5.018 . 0 0 "[ . 1]" 3
2382 2 23 PHE HA 2 26 LYS QB 6.500 . 6.500 4.597 4.413 5.119 . 0 0 "[ . 1]" 3
2383 2 26 LYS H 2 26 LYS QB 3.500 . 3.500 2.413 2.070 2.595 . 0 0 "[ . 1]" 3
2384 1 21 LEU QD 1 25 THR MG 5.500 . 5.500 6.224 5.183 6.705 1.205 2 8 "[*+**.** *-]" 3
2385 1 25 THR MG 1 28 LEU QD . . 4.000 2.633 2.229 3.021 . 0 0 "[ . 1]" 3
2386 1 20 VAL QG 1 24 GLY H 4.500 . 4.500 4.821 4.303 5.085 0.585 1 4 "[+ .- * *]" 3
2387 1 20 VAL QG 1 25 THR HA . . 4.500 3.186 2.702 3.602 . 0 0 "[ . 1]" 3
2388 1 20 VAL HA 1 24 GLY H 4.000 . 4.000 5.051 4.314 5.401 1.401 1 9 [+**-.*****] 3
2389 1 26 LYS QG 1 30 SER QB 6.000 . 6.000 6.898 5.641 8.324 2.324 2 6 "[ +-*** *]" 3
2390 2 21 LEU QD 2 25 THR MG 5.500 . 5.500 5.346 5.019 5.719 0.219 6 0 "[ . 1]" 3
2391 2 25 THR MG 2 28 LEU QD . . 4.000 2.989 2.475 3.571 . 0 0 "[ . 1]" 3
2392 2 20 VAL QG 2 24 GLY H 4.500 . 4.500 4.967 4.452 5.357 0.857 6 5 "[ -*+ **]" 3
2393 2 20 VAL QG 2 25 THR HA . . 4.500 2.563 2.249 2.911 . 0 0 "[ . 1]" 3
2394 2 20 VAL HA 2 24 GLY H 4.000 . 4.000 5.188 4.699 5.573 1.573 6 10 [**-**+****] 3
2395 2 26 LYS QG 2 30 SER QB 6.000 . 6.000 6.907 6.174 7.850 1.850 6 6 "[ * *.+ -**]" 3
2396 1 20 VAL QG 1 25 THR HB 5.500 . 5.500 4.053 3.795 4.303 . 0 0 "[ . 1]" 3
2397 1 20 VAL QG 1 28 LEU H 6.000 . 6.000 5.131 4.573 5.752 . 0 0 "[ . 1]" 3
2398 1 20 VAL QG 1 25 THR MG . . 3.500 2.271 1.796 2.677 0.004 5 0 "[ . 1]" 3
2399 1 19 VAL QG 1 25 THR MG 5.500 . 5.500 5.329 5.005 5.726 0.226 1 0 "[ . 1]" 3
2400 1 19 VAL HA 1 28 LEU QD 6.000 . 6.000 4.504 4.280 4.942 . 0 0 "[ . 1]" 3
2401 1 23 PHE QB 1 28 LEU QD . . 4.500 2.883 2.377 3.889 . 0 0 "[ . 1]" 3
2402 1 23 PHE QD 1 28 LEU QD 5.500 . 5.500 2.333 1.771 3.379 0.029 6 0 "[ . 1]" 3
2403 1 20 VAL HA 1 25 THR H 5.500 . 5.500 3.543 3.328 3.768 . 0 0 "[ . 1]" 3
2404 1 20 VAL HA 1 25 THR MG 5.500 . 5.500 3.899 3.405 4.295 . 0 0 "[ . 1]" 3
2405 1 20 VAL QG 1 28 LEU QD . . 3.300 2.008 1.812 2.345 . 0 0 "[ . 1]" 3
2406 1 19 VAL QG 1 28 LEU QD 4.500 . 4.500 1.964 1.759 2.367 0.041 3 0 "[ . 1]" 3
2407 1 23 PHE HA 1 28 LEU QD 6.000 . 6.000 5.157 4.674 6.029 0.029 9 0 "[ . 1]" 3
2408 1 23 PHE QE 1 27 LYS QE 5.500 . 5.500 6.479 3.041 9.975 4.475 10 5 "[ - *** +]" 3
2409 1 23 PHE QD 1 27 LYS QE 6.500 . 6.500 5.653 2.457 8.674 2.174 10 5 "[ - *** +]" 3
2410 1 23 PHE QE 1 28 LEU QD 5.500 . 5.500 3.653 3.125 4.394 . 0 0 "[ . 1]" 3
2411 1 23 PHE QD 1 31 ILE MG 6.500 . 6.500 6.679 6.174 7.216 0.716 2 4 "[ + ** -]" 3
2412 1 20 VAL QG 1 28 LEU HA 6.500 . 7.000 5.547 5.352 5.897 . 0 0 "[ . 1]" 3
2413 1 23 PHE QD 1 28 LEU HG 6.500 . 6.500 4.045 3.685 4.579 . 0 0 "[ . 1]" 3
2414 1 23 PHE QD 1 31 ILE MD 6.500 . 6.500 6.416 5.588 7.751 1.251 3 2 "[- + . 1]" 3
2415 1 19 VAL HA 1 24 GLY H 6.500 . 6.500 6.346 6.010 6.527 0.027 8 0 "[ . 1]" 3
2416 1 15 ILE MG 1 19 VAL QG 4.500 . 4.500 3.187 3.039 3.396 . 0 0 "[ . 1]" 3
2417 1 19 VAL QG 1 28 LEU QB 6.500 2.800 6.500 4.440 4.242 4.827 . 0 0 "[ . 1]" 3
2418 1 19 VAL HA 1 23 PHE QD 3.500 . 3.500 4.124 3.934 4.407 0.907 5 8 "[* **+ ***-]" 3
2419 1 19 VAL QG 1 23 PHE QE 3.500 . 3.500 1.667 1.649 1.684 0.151 3 0 "[ . 1]" 3
2420 1 19 VAL QG 1 23 PHE HZ 6.500 . 6.500 2.318 2.041 2.451 . 0 0 "[ . 1]" 3
2421 1 19 VAL QG 1 23 PHE QD . . 3.500 2.257 2.022 2.597 . 0 0 "[ . 1]" 3
2422 1 26 LYS H 1 28 LEU QD 3.500 . 3.500 3.424 2.937 3.734 0.234 9 0 "[ . 1]" 3
2423 1 25 THR MG 1 28 LEU H 5.500 . 5.500 4.072 3.409 5.236 . 0 0 "[ . 1]" 3
2424 1 20 VAL HA 1 23 PHE QD 4.500 . 4.500 4.020 3.886 4.169 . 0 0 "[ . 1]" 3
2425 1 25 THR HA 1 28 LEU QB 4.500 . 4.500 2.615 1.982 3.673 . 0 0 "[ . 1]" 3
2426 1 21 LEU HA 1 25 THR MG 4.500 . 4.500 5.562 3.689 6.323 1.823 4 8 "[-**+.** **]" 3
2427 1 22 LEU MD1 1 25 THR H 7.000 . 7.000 7.453 7.310 7.667 0.667 5 3 "[- + * 1]" 3
2428 1 22 LEU HA 1 25 THR H 6.500 . 6.500 6.474 6.326 6.879 0.379 5 0 "[ . 1]" 3
2429 1 20 VAL QG 1 23 PHE QB 5.500 . 5.500 5.178 5.010 5.353 . 0 0 "[ . 1]" 3
2430 1 25 THR MG 1 29 GLY QA 6.000 . 6.000 3.582 3.015 5.114 . 0 0 "[ . 1]" 3
2431 1 25 THR HA 1 28 LEU HG 5.000 . 5.000 4.368 4.114 4.604 . 0 0 "[ . 1]" 3
2432 1 25 THR HA 1 28 LEU QD . . 3.500 1.917 1.818 2.063 . 0 0 "[ . 1]" 3
2433 1 19 VAL QG 1 23 PHE QB 4.500 . 4.500 3.967 3.746 4.234 . 0 0 "[ . 1]" 3
2434 1 22 LEU MD2 1 25 THR H 7.000 . 7.000 6.767 6.516 7.097 0.097 5 0 "[ . 1]" 3
2435 1 19 VAL HA 1 25 THR MG 6.500 . 7.000 7.956 7.482 8.379 1.379 1 9 [+***.**-**] 3
2436 1 25 THR HB 1 28 LEU QD 4.500 . 4.500 4.166 3.807 4.321 . 0 0 "[ . 1]" 3
2437 1 20 VAL HA 1 23 PHE QB . . 4.500 4.735 4.502 4.934 0.434 6 0 "[ . 1]" 3
2438 1 25 THR HB 1 29 GLY QA 5.500 . 5.500 4.857 4.025 5.554 0.054 2 0 "[ . 1]" 3
2439 1 20 VAL HB 1 25 THR MG 6.500 . 6.500 4.917 4.156 5.462 . 0 0 "[ . 1]" 3
2440 1 25 THR HA 1 28 LEU H 6.500 . 6.500 3.310 2.889 3.523 . 0 0 "[ . 1]" 3
2441 1 19 VAL HA 1 23 PHE QE 5.000 . 5.000 3.010 2.831 3.201 . 0 0 "[ . 1]" 3
2442 1 20 VAL HA 1 23 PHE QE 6.500 . 6.500 5.170 4.865 5.447 . 0 0 "[ . 1]" 3
2443 1 19 VAL HA 1 23 PHE HA 6.500 . 6.500 6.594 6.402 6.735 0.235 5 0 "[ . 1]" 3
2444 1 20 VAL HA 1 23 PHE HA . . 5.500 6.749 6.529 6.892 1.392 6 10 [**-**+****] 3
2445 1 19 VAL HA 1 23 PHE QB 6.500 . 6.500 5.570 5.313 5.832 . 0 0 "[ . 1]" 3
2446 1 20 VAL QG 1 23 PHE HA 6.500 . 6.500 6.664 6.468 6.788 0.288 6 0 "[ . 1]" 3
2447 1 20 VAL HB 1 28 LEU QD 5.500 . 5.500 4.000 3.814 4.363 . 0 0 "[ . 1]" 3
2448 2 20 VAL QG 2 25 THR HB 5.500 . 5.500 3.819 3.216 4.310 . 0 0 "[ . 1]" 3
2449 2 20 VAL QG 2 28 LEU H 6.000 . 6.000 4.495 4.222 4.804 . 0 0 "[ . 1]" 3
2450 2 20 VAL QG 2 25 THR MG . . 3.500 1.991 1.849 2.097 . 0 0 "[ . 1]" 3
2451 2 19 VAL QG 2 25 THR MG 5.500 . 5.500 5.833 5.680 6.022 0.522 8 1 "[ . + 1]" 3
2452 2 19 VAL HA 2 28 LEU QD 6.000 . 6.000 5.082 4.585 5.594 . 0 0 "[ . 1]" 3
2453 2 23 PHE QB 2 28 LEU QD . . 4.500 3.221 2.756 4.009 . 0 0 "[ . 1]" 3
2454 2 23 PHE QD 2 28 LEU QD 5.500 . 5.500 3.143 2.629 4.052 . 0 0 "[ . 1]" 3
2455 2 20 VAL HA 2 25 THR H 5.500 . 5.500 3.778 3.417 4.058 . 0 0 "[ . 1]" 3
2456 2 20 VAL HA 2 25 THR MG 5.500 . 5.500 4.222 3.941 4.458 . 0 0 "[ . 1]" 3
2457 2 20 VAL QG 2 28 LEU QD . . 3.300 1.594 1.561 1.652 0.239 9 0 "[ . 1]" 3
2458 2 19 VAL QG 2 28 LEU QD 4.500 . 4.500 2.511 1.958 2.873 . 0 0 "[ . 1]" 3
2459 2 23 PHE HA 2 28 LEU QD 6.000 . 6.000 5.604 5.184 6.294 0.294 9 0 "[ . 1]" 3
2460 2 23 PHE QE 2 27 LYS QE 5.500 . 5.500 4.621 3.498 6.168 0.668 6 1 "[ .+ 1]" 3
2461 2 23 PHE QD 2 27 LYS QE 6.500 . 6.500 4.482 3.544 5.523 . 0 0 "[ . 1]" 3
2462 2 23 PHE QE 2 28 LEU QD 5.500 . 5.500 4.493 4.044 5.108 . 0 0 "[ . 1]" 3
2463 2 23 PHE QD 2 31 ILE MG 6.500 . 6.500 6.094 5.650 6.365 . 0 0 "[ . 1]" 3
2464 2 20 VAL QG 2 28 LEU HA 6.500 . 7.000 5.181 4.953 5.438 . 0 0 "[ . 1]" 3
2465 2 23 PHE QD 2 28 LEU HG 6.500 . 6.500 4.198 3.541 5.220 . 0 0 "[ . 1]" 3
2466 2 23 PHE QD 2 31 ILE MD 6.500 . 6.500 5.626 4.741 7.289 0.789 3 2 "[- + . 1]" 3
2467 2 19 VAL HA 2 24 GLY H 6.500 . 6.500 6.743 6.572 6.943 0.443 8 0 "[ . 1]" 3
2468 2 15 ILE MG 2 19 VAL QG 4.500 . 4.500 2.675 2.435 3.141 . 0 0 "[ . 1]" 3
2469 2 19 VAL QG 2 28 LEU QB 6.500 2.800 6.500 4.819 4.426 5.234 . 0 0 "[ . 1]" 3
2470 2 19 VAL HA 2 23 PHE QD 3.500 . 3.500 4.552 4.237 4.838 1.338 8 10 [*-*****+**] 3
2471 2 19 VAL QG 2 23 PHE QE 3.500 . 3.500 1.960 1.911 2.021 . 0 0 "[ . 1]" 3
2472 2 19 VAL QG 2 23 PHE HZ 6.500 . 6.500 2.985 2.675 3.284 . 0 0 "[ . 1]" 3
2473 2 19 VAL QG 2 23 PHE QD . . 3.500 2.393 2.151 2.703 . 0 0 "[ . 1]" 3
2474 2 26 LYS H 2 28 LEU QD 3.500 . 3.500 3.574 2.659 3.982 0.482 4 0 "[ . 1]" 3
2475 2 25 THR MG 2 28 LEU H 5.500 . 5.500 5.334 4.585 5.816 0.316 2 0 "[ . 1]" 3
2476 2 20 VAL HA 2 23 PHE QD 4.500 . 4.500 3.880 3.691 4.029 . 0 0 "[ . 1]" 3
2477 2 25 THR HA 2 28 LEU QB 4.500 . 4.500 3.656 3.202 5.111 0.611 9 1 "[ . +1]" 3
2478 2 21 LEU HA 2 25 THR MG 4.500 . 4.500 4.233 3.732 5.007 0.507 5 1 "[ + 1]" 3
2479 2 22 LEU QD 2 25 THR H 7.000 . 7.000 6.412 6.209 6.601 . 0 0 "[ . 1]" 3
2480 2 22 LEU HA 2 25 THR H 6.500 . 6.500 6.323 5.980 6.531 0.031 2 0 "[ . 1]" 3
2481 2 20 VAL QG 2 23 PHE QB 5.500 . 5.500 4.608 4.386 4.898 . 0 0 "[ . 1]" 3
2482 2 25 THR MG 2 29 GLY QA 6.000 . 6.000 5.465 4.566 6.522 0.522 4 1 "[ +. 1]" 3
2483 2 25 THR HA 2 28 LEU HG 5.000 . 5.000 4.868 4.354 5.960 0.960 2 1 "[ + . 1]" 3
2484 2 25 THR HA 2 28 LEU QD . . 3.500 2.152 1.798 3.013 0.002 7 0 "[ . 1]" 3
2485 2 19 VAL QG 2 23 PHE QB 4.500 . 4.500 3.960 3.677 4.199 . 0 0 "[ . 1]" 3
2486 2 19 VAL HA 2 25 THR MG 6.500 . 7.000 8.046 7.695 8.440 1.440 9 10 [***-****+*] 3
2487 2 25 THR HB 2 28 LEU QD 4.500 . 4.500 3.870 3.140 4.832 0.332 6 0 "[ . 1]" 3
2488 2 20 VAL HA 2 23 PHE QB . . 4.500 4.133 3.913 4.437 . 0 0 "[ . 1]" 3
2489 2 25 THR HB 2 29 GLY QA 5.500 . 5.500 5.410 4.548 7.192 1.692 6 1 "[ .+ 1]" 3
2490 2 20 VAL HB 2 25 THR MG 6.500 . 6.500 4.091 3.866 4.288 . 0 0 "[ . 1]" 3
2491 2 25 THR HA 2 28 LEU H 6.500 . 6.500 3.975 3.550 4.581 . 0 0 "[ . 1]" 3
2492 2 19 VAL HA 2 23 PHE QE 5.000 . 5.000 3.920 3.618 4.176 . 0 0 "[ . 1]" 3
2493 2 20 VAL HA 2 23 PHE QE 6.500 . 6.500 5.367 5.053 5.635 . 0 0 "[ . 1]" 3
2494 2 19 VAL HA 2 23 PHE HA 6.500 . 6.500 6.836 6.661 7.047 0.547 5 1 "[ + 1]" 3
2495 2 20 VAL HA 2 23 PHE HA . . 5.500 6.429 6.194 6.604 1.104 4 10 [**-+******] 3
2496 2 19 VAL HA 2 23 PHE QB 6.500 . 6.500 5.720 5.458 6.005 . 0 0 "[ . 1]" 3
2497 2 20 VAL QG 2 23 PHE HA 6.500 . 6.500 6.438 6.179 6.612 0.112 4 0 "[ . 1]" 3
2498 2 20 VAL HB 2 28 LEU QD 5.500 . 5.500 3.623 3.548 3.700 . 0 0 "[ . 1]" 3
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