Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609396 | 2n85 RC | 25835 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n85
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 856
_Distance_constraint_stats_list.Viol_count 12968
_Distance_constraint_stats_list.Viol_total 511064.344
_Distance_constraint_stats_list.Viol_max 12.325
_Distance_constraint_stats_list.Viol_rms 1.5199
_Distance_constraint_stats_list.Viol_average_all_restraints 1.4926
_Distance_constraint_stats_list.Viol_average_violations_only 1.9705
_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 1 LYS 1326.811 12.325 5 20 [****+*******-*******]
1 2 PHE 2614.020 10.165 5 20 [****+*******-*******]
1 3 LYS 1459.765 5.779 1 20 [+**********-********]
1 4 TRP 2144.148 12.325 5 20 [****+*******-*******]
1 5 GLY 552.553 3.214 8 20 [*******+***-********]
1 6 LYS 1068.033 5.719 4 20 [-**+****************]
1 7 LEU 1639.577 7.796 9 20 [********+****-******]
1 8 PHE 1094.163 5.021 3 20 [**+**********-******]
1 9 SER 462.736 4.037 7 20 [******+-************]
1 10 THR 310.866 2.941 2 20 [*+*********-********]
1 11 ALA 460.677 3.364 14 20 [*****-*******+******]
1 12 LYS 1794.615 5.471 6 20 [-****+**************]
1 13 LYS 511.644 5.471 6 20 [*****+******-*******]
1 14 LEU 277.955 3.237 19 20 [***************-**+*]
1 15 TYR 756.121 4.636 3 20 [**+************-****]
1 16 LYS 534.442 5.097 11 20 [********-*+*********]
1 17 LYS 399.632 3.848 13 20 [************+*******]
1 18 GLY 839.674 10.385 18 20 [****************-+**]
1 19 LYS 1309.438 11.393 18 20 [****************-+**]
1 20 LYS 631.959 8.771 18 20 [****************-+**]
1 21 LEU 2818.385 10.174 18 20 [***-*************+**]
1 22 SER 1972.177 9.423 13 20 [*****-******+*******]
1 23 LYS 815.391 5.174 12 20 [*-*********+********]
1 24 ASN 1389.636 6.026 15 20 [*-************+*****]
1 25 LYS 1090.266 6.629 13 20 [**-*********+*******]
1 26 ASN 2431.072 9.239 5 20 [****+*******-*******]
1 27 PHE 4459.401 11.393 18 20 [***-*************+**]
1 28 LYS 1917.993 9.423 13 20 [************+*******]
1 29 LYS 1400.401 6.622 11 20 [*****-****+*********]
1 30 ALA 584.006 9.993 12 20 [***********+-*******]
1 31 LEU 564.138 4.735 14 20 [************-+******]
1 32 LYS 1370.491 4.497 14 20 [*******-*****+******]
1 33 PHE 1380.506 4.319 7 20 [-*****+*************]
1 34 GLY 549.068 3.913 11 20 [**********+*-*******]
1 35 LYS 1337.649 4.735 14 20 [-************+******]
1 36 GLN 2007.686 4.575 3 20 [**+****-************]
1 37 LEU 943.418 5.266 6 20 [**-**+**************]
1 38 ALA 481.424 4.357 9 20 [********+***-*******]
1 39 LYS 762.877 3.997 12 20 [***********+***-****]
1 40 ASN 1498.393 5.266 6 20 [*****+*********-****]
1 41 LEU 747.255 5.256 3 20 [**+************-****]
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 1 LYS HA 1 1 LYS QE . . 3.500 4.631 3.605 5.517 2.017 12 19 "[******-****+***** **]" 1
2 1 1 LYS HA 1 2 PHE H . . 3.090 2.368 2.140 2.937 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 2 PHE HA . . 3.500 4.432 4.324 4.618 1.118 9 20 [********+******-****] 1
4 1 1 LYS HA 1 2 PHE QB . . 3.500 4.136 3.769 4.822 1.322 18 13 "[** *.*** 1* -*** +*2]" 1
5 1 1 LYS HA 1 3 LYS QG . . 3.500 6.580 4.919 9.092 5.592 9 20 [********+****-******] 1
6 1 1 LYS HA 1 4 TRP HZ2 . . 3.500 9.175 5.191 15.825 12.325 5 20 [****+*-*************] 1
7 1 1 LYS QB 1 2 PHE H . . 4.130 2.971 2.127 3.845 . 0 0 "[ . 1 . 2]" 1
8 1 1 LYS QB 1 2 PHE HA . . 3.500 4.318 3.880 4.871 1.371 19 19 [***-**************+2] 1
9 1 1 LYS QB 1 2 PHE QB . . 3.500 4.474 3.206 5.179 1.679 8 17 "[***** *+** ** *-****]" 1
10 1 1 LYS QB 1 2 PHE QD . . 3.500 5.337 4.335 6.287 2.787 2 20 [*+***************-**] 1
11 1 1 LYS QB 1 2 PHE QE . . 3.500 7.037 5.803 7.985 4.485 2 20 [*+************-*****] 1
12 1 1 LYS QB 1 3 LYS HA . . 3.500 5.831 4.875 7.225 3.725 18 20 [***************-*+**] 1
13 1 1 LYS QB 1 4 TRP QB . . 3.500 7.941 6.523 9.627 6.127 15 20 [**********-***+*****] 1
14 1 1 LYS QB 1 4 TRP HD1 . . 3.500 7.814 5.081 12.239 8.739 5 20 [****+*****-*********] 1
15 1 1 LYS QB 1 4 TRP HZ2 . . 3.500 8.909 5.563 14.589 11.089 5 20 [****+*****-*********] 1
16 1 1 LYS QD 1 2 PHE H . . 3.500 4.767 3.646 5.885 2.385 1 18 "[+******* **-*******2]" 1
17 1 1 LYS QD 1 2 PHE HA . . 3.500 5.964 4.507 6.743 3.243 19 20 [********-*********+*] 1
18 1 1 LYS QD 1 2 PHE QB . . 3.500 6.030 4.782 7.072 3.572 8 20 [*****-*+************] 1
19 1 1 LYS QD 1 2 PHE QE . . 3.500 8.441 7.285 9.555 6.055 19 20 [***-**************+*] 1
20 1 1 LYS QD 1 3 LYS HA . . 3.500 7.036 4.847 9.279 5.779 1 20 [+-******************] 1
21 1 1 LYS QD 1 4 TRP HD1 . . 3.500 8.872 6.143 13.244 9.744 13 20 [************+*****-*] 1
22 1 1 LYS QE 1 2 PHE H . . 3.500 5.763 4.979 6.623 3.123 1 20 [+*-*****************] 1
23 1 1 LYS QE 1 2 PHE QE . . 3.500 9.174 7.092 10.146 6.646 16 20 [***-***********+****] 1
24 1 1 LYS QE 1 3 LYS QG . . 3.500 6.653 4.280 8.830 5.330 6 20 [**-**+**************] 1
25 1 2 PHE H 1 2 PHE QB . . 3.410 2.520 2.112 3.232 . 0 0 "[ . 1 . 2]" 1
26 1 2 PHE H 1 2 PHE QD . . 3.500 4.035 3.317 4.434 0.934 20 13 "[* * **- **** *. * *+]" 1
27 1 2 PHE H 1 2 PHE QE . . 3.500 6.071 4.415 6.460 2.960 9 20 [***-****+***********] 1
28 1 2 PHE H 1 3 LYS H . . 3.500 4.298 3.521 4.633 1.133 19 17 "[****- ****** ****+*]" 1
29 1 2 PHE H 1 3 LYS HA . . 3.500 5.017 4.539 5.617 2.117 19 20 [******************+-] 1
30 1 2 PHE H 1 3 LYS QD . . 3.500 5.528 3.576 7.343 3.843 18 18 "[***********- *.**+**]" 1
31 1 2 PHE H 1 3 LYS QG . . 3.500 5.452 4.032 6.814 3.314 9 20 [****-***+***********] 1
32 1 2 PHE H 1 4 TRP H . . 3.500 5.878 4.415 6.763 3.263 16 20 [********-******+****] 1
33 1 2 PHE H 1 4 TRP HD1 . . 3.500 6.960 4.063 11.772 8.272 13 20 [-***********+*******] 1
34 1 2 PHE H 1 4 TRP HH2 . . 3.500 8.639 4.995 12.787 9.287 5 20 [**-*+***************] 1
35 1 2 PHE H 1 4 TRP HZ2 . . 3.500 7.682 4.307 13.665 10.165 5 20 [****+*-*************] 1
36 1 2 PHE HA 1 3 LYS H . . 2.910 2.243 2.139 2.442 . 0 0 "[ . 1 . 2]" 1
37 1 2 PHE HA 1 3 LYS QB . . 3.500 4.333 4.028 4.556 1.056 7 20 [******+********-****] 1
38 1 2 PHE HA 1 3 LYS QD . . 3.500 4.971 3.543 6.060 2.560 20 18 "[*********** **.-***+]" 1
39 1 2 PHE HA 1 3 LYS QG . . 3.500 4.286 3.548 5.918 2.418 9 9 "[ - . +1 ***** * *]" 1
40 1 2 PHE HA 1 6 LYS QB . . 3.500 6.176 4.935 7.488 3.988 9 20 [********+***-*******] 1
41 1 2 PHE HA 1 7 LEU QD . . 3.500 6.913 5.945 8.193 4.693 9 20 [******-*+***********] 1
42 1 2 PHE HA 1 7 LEU HG . . 3.500 9.154 7.842 11.296 7.796 9 20 [********+**-********] 1
43 1 2 PHE QB 1 3 LYS H . . 4.700 3.392 2.687 3.970 . 0 0 "[ . 1 . 2]" 1
44 1 2 PHE QB 1 3 LYS HA . . 3.500 4.498 4.296 4.855 1.355 6 20 [*****+******-*******] 1
45 1 2 PHE QB 1 3 LYS QB . . 3.500 4.991 4.267 5.521 2.021 14 20 [*************+***-**] 1
46 1 2 PHE QB 1 4 TRP HA . . 3.500 4.882 4.315 5.735 2.235 5 20 [****+***-***********] 1
47 1 2 PHE QB 1 4 TRP QB . . 3.500 5.526 4.043 6.394 2.894 4 20 [***+****-***********] 1
48 1 2 PHE QB 1 4 TRP HD1 . . 3.500 5.785 2.456 9.314 5.814 5 17 "[ ***+-** ** ********]" 1
49 1 2 PHE QB 1 4 TRP HE3 . . 3.500 5.480 4.037 6.814 3.314 6 20 [*****+***********-**] 1
50 1 2 PHE QB 1 4 TRP HH2 . . 3.500 5.968 3.911 9.283 5.783 5 19 "[****+*- ************]" 1
51 1 2 PHE QB 1 4 TRP HZ2 . . 3.500 5.643 3.213 10.335 6.835 5 19 "[ ***+***********-***]" 1
52 1 2 PHE QB 1 7 LEU QB . . 3.500 6.140 4.906 7.337 3.837 6 20 [***-*+**************] 1
53 1 2 PHE QB 1 7 LEU QD . . 3.500 5.316 3.966 6.529 3.029 6 19 "[***-*+ *************]" 1
54 1 2 PHE QD 1 3 LYS HA . . 3.500 4.949 3.733 5.628 2.128 15 19 "[*-* **********+*****]" 1
55 1 2 PHE QD 1 3 LYS QB . . 3.500 4.738 3.861 5.892 2.392 13 17 "[****** -****+*** **]" 1
56 1 2 PHE QD 1 3 LYS QD . . 3.500 5.973 5.108 6.662 3.162 6 20 [*****+*****-********] 1
57 1 2 PHE QD 1 3 LYS QG . . 3.500 5.470 4.207 6.990 3.490 13 20 [************+***-***] 1
58 1 2 PHE QD 1 4 TRP QB . . 3.500 5.554 4.367 6.890 3.390 8 20 [*******+*****-******] 1
59 1 2 PHE QD 1 4 TRP HE3 . . 3.500 4.896 4.017 6.341 2.841 15 20 [**********-***+*****] 1
60 1 2 PHE QD 1 6 LYS QB . . 3.500 5.232 3.785 6.545 3.045 6 19 "[** **+*-************]" 1
61 1 2 PHE QD 1 6 LYS QD . . 3.500 5.659 4.039 6.835 3.335 7 20 [******+-************] 1
62 1 2 PHE QD 1 6 LYS QG . . 3.500 6.628 5.031 7.861 4.361 9 20 [*****-**+***********] 1
63 1 2 PHE QD 1 7 LEU H . . 3.500 5.676 4.176 6.496 2.996 13 20 [**-*********+*******] 1
64 1 2 PHE QD 1 7 LEU QB . . 3.500 4.990 3.699 5.951 2.451 12 18 "[*- *** ****+********]" 1
65 1 2 PHE QD 1 7 LEU QD . . 5.060 4.250 2.735 5.061 0.001 6 0 "[ . 1 . 2]" 1
66 1 2 PHE QD 1 7 LEU HG . . 3.500 6.189 4.663 7.563 4.063 9 20 [******-*+***********] 1
67 1 2 PHE QE 1 3 LYS H . . 3.500 4.785 4.006 5.982 2.482 13 20 [**********-*+*******] 1
68 1 2 PHE QE 1 3 LYS QB . . 3.500 5.575 4.507 7.334 3.834 13 20 [******-*****+*******] 1
69 1 2 PHE QE 1 4 TRP H . . 3.500 6.630 4.935 8.164 4.664 15 20 [*************-+*****] 1
70 1 2 PHE QE 1 4 TRP QB . . 3.500 6.781 4.329 8.658 5.158 8 20 [*******+*****-******] 1
71 1 2 PHE QE 1 6 LYS QD . . 3.500 5.489 3.499 8.229 4.729 4 18 "[** +* *-************]" 1
72 1 2 PHE QE 1 6 LYS QG . . 3.500 6.425 4.026 9.219 5.719 4 20 [***+*-**************] 1
73 1 2 PHE QE 1 7 LEU H . . 3.500 5.751 3.870 7.325 3.825 4 19 "[**-+************** *]" 1
74 1 2 PHE QE 1 7 LEU QB . . 3.500 4.850 2.856 6.370 2.870 18 16 "[* **-******* ***+ *]" 1
75 1 2 PHE QE 1 7 LEU HG . . 3.500 5.303 3.533 7.816 4.316 4 17 "[* +****** *******-*]" 1
76 1 3 LYS HA 1 3 LYS QD . . 3.070 2.350 1.962 3.031 . 0 0 "[ . 1 . 2]" 1
77 1 3 LYS HA 1 3 LYS QG . . 3.500 2.621 2.220 3.030 . 0 0 "[ . 1 . 2]" 1
78 1 3 LYS HA 1 4 TRP QB . . 3.500 4.308 4.073 4.568 1.068 1 20 [+***********-*******] 1
79 1 3 LYS HA 1 5 GLY H . . 5.440 3.651 3.260 4.041 . 0 0 "[ . 1 . 2]" 1
80 1 3 LYS HA 1 6 LYS QB . . 3.500 4.840 4.290 6.216 2.716 6 20 [*****+-*************] 1
81 1 3 LYS HA 1 6 LYS QD . . 3.500 5.653 4.871 6.535 3.035 14 20 [*****-*******+******] 1
82 1 3 LYS HA 1 6 LYS QG . . 3.500 6.242 3.955 7.382 3.882 14 19 "[*****- ******+******]" 1
83 1 3 LYS HA 1 7 LEU QD . . 3.500 6.921 5.768 7.538 4.038 6 20 [*****+-*************] 1
84 1 3 LYS QB 1 4 TRP HA . . 3.500 4.590 4.477 4.712 1.212 8 20 [*****-*+************] 1
85 1 3 LYS QB 1 5 GLY H . . 3.500 3.342 2.702 4.603 1.103 9 2 "[ . - +1 . 2]" 1
86 1 3 LYS QB 1 7 LEU QD . . 3.500 5.986 4.328 6.752 3.252 6 20 [*****+-*************] 1
87 1 3 LYS QD 1 4 TRP QB . . 3.500 5.522 4.943 6.356 2.856 16 20 [***-***********+****] 1
88 1 3 LYS QD 1 4 TRP HD1 . . 3.500 6.438 5.516 8.602 5.102 13 20 [************+-******] 1
89 1 3 LYS QD 1 5 GLY H . . 3.500 4.393 3.510 5.469 1.969 12 15 "[** **-** **+* *** *]" 1
90 1 3 LYS QG 1 4 TRP HA . . 3.500 6.017 4.951 6.290 2.790 11 20 [********-*+*********] 1
91 1 3 LYS QG 1 4 TRP QB . . 3.500 5.948 4.700 6.460 2.960 11 20 [**********+*-*******] 1
92 1 3 LYS QG 1 4 TRP HD1 . . 3.500 6.997 5.767 8.913 5.413 18 20 [**************-**+**] 1
93 1 3 LYS QG 1 5 GLY H . . 3.500 4.822 3.509 5.850 2.350 7 16 "[******+* **- *. ****]" 1
94 1 3 LYS QG 1 5 GLY QA . . 3.500 5.415 4.001 6.436 2.936 7 20 [******+*-***********] 1
95 1 3 LYS QG 1 6 LYS H . . 3.500 4.673 2.702 5.432 1.932 6 19 "[*****+** ***-*******]" 1
96 1 3 LYS QG 1 6 LYS HA . . 3.500 6.142 4.164 7.150 3.650 6 20 [*****+**-***********] 1
97 1 3 LYS QG 1 7 LEU H . . 3.500 6.445 4.826 7.491 3.991 6 20 [*****+**-***********] 1
98 1 4 TRP H 1 4 TRP QB . . 3.410 2.328 2.172 2.556 . 0 0 "[ . 1 . 2]" 1
99 1 4 TRP H 1 5 GLY H . . 3.680 2.589 2.374 2.768 . 0 0 "[ . 1 . 2]" 1
100 1 4 TRP HA 1 4 TRP HE3 . . 3.380 2.467 2.001 3.328 . 0 0 "[ . 1 . 2]" 1
101 1 4 TRP HA 1 5 GLY H . . 4.650 3.501 3.401 3.562 . 0 0 "[ . 1 . 2]" 1
102 1 4 TRP HA 1 5 GLY QA . . 3.500 4.496 4.475 4.509 1.009 13 20 [******-*****+*******] 1
103 1 4 TRP HA 1 6 LYS QB . . 3.500 4.560 4.232 5.268 1.768 7 20 [******+******-******] 1
104 1 4 TRP HA 1 7 LEU QB . . 3.500 3.357 3.231 3.484 . 0 0 "[ . 1 . 2]" 1
105 1 4 TRP HA 1 7 LEU QD . . 3.500 4.042 3.554 4.216 0.716 16 15 "[* **** *** -**+ ***]" 1
106 1 4 TRP HA 1 7 LEU HG . . 3.500 5.805 3.710 6.121 2.621 19 19 "[**********- ******+*]" 1
107 1 4 TRP QB 1 4 TRP HD1 . . 3.590 2.523 2.495 2.635 . 0 0 "[ . 1 . 2]" 1
108 1 4 TRP QB 1 4 TRP HE3 . . 3.610 2.840 2.523 3.045 . 0 0 "[ . 1 . 2]" 1
109 1 4 TRP QB 1 5 GLY H . . 4.280 2.766 2.427 3.119 . 0 0 "[ . 1 . 2]" 1
110 1 4 TRP QB 1 5 GLY QA . . 3.500 3.679 3.560 3.816 0.316 6 0 "[ . 1 . 2]" 1
111 1 4 TRP QB 1 7 LEU QB . . 3.500 4.490 3.837 4.971 1.471 18 19 "[***** ****-******+**]" 1
112 1 4 TRP QB 1 7 LEU QD . . 3.500 4.980 4.383 5.335 1.835 18 20 [**********-******+**] 1
113 1 4 TRP QB 1 8 PHE H . . 3.500 4.452 3.937 5.045 1.545 18 19 "[***** *******-***+**]" 1
114 1 4 TRP HD1 1 5 GLY H . . 3.500 4.897 4.546 5.352 1.852 10 20 [-********+**********] 1
115 1 4 TRP HD1 1 5 GLY QA . . 3.500 5.943 4.332 6.542 3.042 9 20 [****-***+***********] 1
116 1 4 TRP HD1 1 7 LEU QD . . 3.500 6.896 6.034 7.584 4.084 3 20 [**+********-********] 1
117 1 4 TRP HE3 1 5 GLY H . . 3.500 5.624 5.352 6.066 2.566 14 20 [*-***********+******] 1
118 1 4 TRP HE3 1 7 LEU QD . . 3.670 3.344 2.541 3.668 . 0 0 "[ . 1 . 2]" 1
119 1 4 TRP HE3 1 8 PHE H . . 3.500 4.843 3.966 5.630 2.130 18 19 "[******** *****-**+**]" 1
120 1 4 TRP HZ3 1 7 LEU QB . . 3.500 4.272 3.475 5.027 1.527 1 13 "[+-* . ** 1****. ****]" 1
121 1 4 TRP HZ3 1 7 LEU HG . . 3.500 6.001 4.793 6.977 3.477 1 20 [+********-**********] 1
122 1 4 TRP HZ3 1 8 PHE H . . 3.500 6.631 5.662 7.594 4.094 3 20 [**+*****-***********] 1
123 1 4 TRP HZ3 1 8 PHE QB . . 3.500 7.198 6.234 8.521 5.021 3 20 [**+-****************] 1
124 1 5 GLY H 1 6 LYS H . . 3.660 2.762 2.699 2.811 . 0 0 "[ . 1 . 2]" 1
125 1 5 GLY H 1 6 LYS QB . . 3.500 4.500 4.405 5.014 1.514 6 20 [***-*+**************] 1
126 1 5 GLY H 1 6 LYS QD . . 3.500 6.177 4.894 6.714 3.214 8 20 [*****-*+************] 1
127 1 5 GLY H 1 6 LYS QG . . 3.500 5.760 3.942 6.422 2.922 14 19 "[***** -******+******]" 1
128 1 5 GLY H 1 7 LEU QB . . 3.500 5.532 5.171 5.688 2.188 12 20 [******-****+********] 1
129 1 5 GLY H 1 7 LEU QD . . 3.500 6.383 5.932 6.527 3.027 14 20 [***********-*+******] 1
130 1 5 GLY H 1 8 PHE H . . 3.500 4.877 4.760 4.993 1.493 13 20 [*-**********+*******] 1
131 1 5 GLY H 1 8 PHE QB . . 3.500 4.500 4.415 4.649 1.149 3 20 [**+*******-*********] 1
132 1 5 GLY H 1 8 PHE QD . . 3.500 5.595 3.801 6.407 2.907 13 19 "[** ****-****+*******]" 1
133 1 5 GLY QA 1 6 LYS H . . 3.340 2.779 2.620 2.837 . 0 0 "[ . 1 . 2]" 1
134 1 5 GLY QA 1 6 LYS HA . . 3.500 4.048 4.031 4.057 0.557 11 20 [******-***+*********] 1
135 1 5 GLY QA 1 8 PHE H . . 4.750 3.509 3.349 3.671 . 0 0 "[ . 1 . 2]" 1
136 1 5 GLY QA 1 8 PHE QB . . 3.500 2.456 2.273 2.734 . 0 0 "[ . 1 . 2]" 1
137 1 5 GLY QA 1 9 SER QB . . 3.500 3.855 3.632 4.195 0.695 2 3 "[ + . *- 1 . 2]" 1
138 1 6 LYS H 1 7 LEU QD . . 3.500 5.549 4.902 5.762 2.262 2 20 [*+*********-********] 1
139 1 6 LYS H 1 8 PHE QB . . 3.500 4.664 4.552 4.929 1.429 7 20 [******+*-***********] 1
140 1 6 LYS HA 1 6 LYS QD . . 3.500 3.841 3.512 4.276 0.776 6 4 "[- * .+ 1 *. 2]" 1
141 1 6 LYS HA 1 7 LEU QD . . 3.500 5.859 5.017 5.960 2.460 7 20 [******+****-********] 1
142 1 6 LYS HA 1 9 SER QB . . 3.500 3.293 2.763 4.000 0.500 11 0 "[ . 1 . 2]" 1
143 1 6 LYS QB 1 10 THR HB . . 3.500 5.449 4.813 6.441 2.941 2 20 [*+************-*****] 1
144 1 6 LYS QD 1 7 LEU QD . . 3.500 5.584 4.216 6.469 2.969 2 20 [*+*****-************] 1
145 1 6 LYS QD 1 8 PHE H . . 3.500 6.703 5.562 7.059 3.559 7 20 [******+-************] 1
146 1 6 LYS QD 1 9 SER QB . . 3.500 6.271 5.648 6.874 3.374 1 20 [+*****-*************] 1
147 1 6 LYS QG 1 7 LEU QD . . 3.500 5.309 3.731 6.055 2.555 3 19 "[**+** *****-********]" 1
148 1 6 LYS QG 1 8 PHE H . . 3.500 5.656 4.153 6.025 2.525 13 20 [*****-******+*******] 1
149 1 6 LYS QG 1 9 SER QB . . 3.500 4.687 4.215 5.376 1.876 6 20 [*****+***-**********] 1
150 1 7 LEU H 1 7 LEU HG . . 3.900 3.745 2.270 3.904 0.004 6 0 "[ . 1 . 2]" 1
151 1 7 LEU H 1 8 PHE H . . 3.260 2.690 2.556 2.896 . 0 0 "[ . 1 . 2]" 1
152 1 7 LEU H 1 8 PHE QB . . 3.500 4.381 4.210 4.542 1.042 3 20 [**+**-**************] 1
153 1 7 LEU HA 1 8 PHE H . . 4.320 3.542 3.529 3.567 . 0 0 "[ . 1 . 2]" 1
154 1 7 LEU HA 1 8 PHE HA . . 3.500 4.807 4.782 4.836 1.336 13 20 [********-***+*******] 1
155 1 7 LEU HA 1 8 PHE QD . . 3.500 5.617 4.881 6.234 2.734 17 20 [*************-**+***] 1
156 1 7 LEU HA 1 10 THR H . . 4.420 3.765 3.479 3.950 . 0 0 "[ . 1 . 2]" 1
157 1 7 LEU HA 1 10 THR MG . . 3.500 4.132 3.947 4.400 0.900 20 17 "[* * *******-***** *+]" 1
158 1 7 LEU HA 1 11 ALA MB . . 3.500 4.258 3.911 4.668 1.168 7 18 "[***** +***-***.*****]" 1
159 1 7 LEU QB 1 8 PHE H . . 3.530 2.567 2.306 2.674 . 0 0 "[ . 1 . 2]" 1
160 1 7 LEU QB 1 8 PHE HA . . 3.500 3.737 3.663 3.843 0.343 12 0 "[ . 1 . 2]" 1
161 1 7 LEU QB 1 8 PHE QB . . 3.500 4.069 3.807 4.325 0.825 3 14 "[**+ . ***** *** -**]" 1
162 1 7 LEU QB 1 8 PHE QD . . 5.200 3.384 2.624 4.239 . 0 0 "[ . 1 . 2]" 1
163 1 7 LEU QB 1 11 ALA H . . 3.500 4.802 4.481 4.986 1.486 7 20 [******+****-********] 1
164 1 7 LEU QD 1 8 PHE H . . 5.480 3.826 3.541 4.085 . 0 0 "[ . 1 . 2]" 1
165 1 7 LEU QD 1 8 PHE HA . . 3.500 3.984 3.595 5.093 1.593 12 4 "[ . 1*+ -. *2]" 1
166 1 7 LEU QD 1 8 PHE QB . . 3.500 4.837 4.593 5.220 1.720 11 20 [******-***+*********] 1
167 1 7 LEU QD 1 8 PHE QD . . 4.600 4.142 3.707 4.525 . 0 0 "[ . 1 . 2]" 1
168 1 7 LEU QD 1 10 THR H . . 3.500 4.939 4.447 5.100 1.600 12 20 [*-*********+********] 1
169 1 7 LEU QD 1 10 THR HB . . 3.500 3.763 3.532 4.050 0.550 7 1 "[ . + 1 . 2]" 1
170 1 7 LEU QD 1 11 ALA H . . 3.500 3.709 3.499 4.683 1.183 12 2 "[ . 1-+ . 2]" 1
171 1 7 LEU QD 1 11 ALA HA . . 3.500 4.599 4.275 5.927 2.427 12 20 [***-*******+********] 1
172 1 7 LEU QD 1 12 LYS H . . 3.500 5.534 5.288 6.649 3.149 12 20 [*-*********+********] 1
173 1 7 LEU HG 1 8 PHE H . . 5.430 4.955 4.294 5.095 . 0 0 "[ . 1 . 2]" 1
174 1 7 LEU HG 1 8 PHE HA . . 3.500 6.211 6.085 6.573 3.073 11 20 [******-***+*********] 1
175 1 7 LEU HG 1 8 PHE QB . . 3.500 6.611 6.005 6.877 3.377 3 20 [**+********-********] 1
176 1 7 LEU HG 1 11 ALA H . . 3.500 5.590 5.229 6.664 3.164 12 20 [*******-***+********] 1
177 1 8 PHE H 1 8 PHE QD . . 3.920 2.913 2.269 3.513 . 0 0 "[ . 1 . 2]" 1
178 1 8 PHE HA 1 8 PHE QD . . 3.500 2.691 2.087 2.997 . 0 0 "[ . 1 . 2]" 1
179 1 8 PHE HA 1 9 SER HA . . 3.500 4.789 4.733 4.822 1.322 17 20 [*****-**********+***] 1
180 1 8 PHE HA 1 11 ALA H . . 4.370 3.903 3.737 4.090 . 0 0 "[ . 1 . 2]" 1
181 1 8 PHE HA 1 12 LYS QB . . 3.500 4.453 4.186 4.806 1.306 3 20 [-*+*****************] 1
182 1 8 PHE HA 1 12 LYS QG . . 3.500 5.698 3.934 6.593 3.093 13 19 "[***** *-****+*******]" 1
183 1 8 PHE QB 1 9 SER HA . . 3.500 3.732 3.647 3.817 0.317 2 0 "[ . 1 . 2]" 1
184 1 8 PHE QB 1 9 SER QB . . 3.500 3.847 3.667 4.025 0.525 20 2 "[ . - 1 . +]" 1
185 1 8 PHE QB 1 10 THR H . . 3.500 4.760 4.600 4.923 1.423 7 20 [******+**********-**] 1
186 1 8 PHE QB 1 11 ALA H . . 3.500 5.198 5.002 5.359 1.859 1 20 [+*-*****************] 1
187 1 8 PHE QB 1 11 ALA MB . . 3.500 4.611 4.313 4.760 1.260 1 20 [+*-*****************] 1
188 1 8 PHE QB 1 12 LYS H . . 3.500 4.870 4.736 5.066 1.566 4 20 [*-*+****************] 1
189 1 8 PHE QB 1 12 LYS QB . . 3.500 4.335 4.039 4.684 1.184 13 20 [*-**********+*******] 1
190 1 8 PHE QB 1 12 LYS QD . . 3.500 5.265 3.649 6.503 3.003 17 19 "[** ***-*********+***]" 1
191 1 8 PHE QB 1 12 LYS QE . . 3.500 5.327 3.830 6.467 2.967 8 19 "[** ****+**-*********]" 1
192 1 8 PHE QB 1 12 LYS QG . . 3.500 5.375 4.093 6.469 2.969 13 20 [*******-****+*******] 1
193 1 8 PHE QD 1 12 LYS H . . 3.500 5.531 4.906 5.905 2.405 8 20 [*******+********-***] 1
194 1 8 PHE QD 1 12 LYS QE . . 3.500 4.848 3.668 6.971 3.471 14 19 "[******-*** **+******]" 1
195 1 8 PHE QD 1 12 LYS QG . . 3.500 5.198 3.505 6.089 2.589 3 18 "[**+-* ********** ***]" 1
196 1 9 SER H 1 9 SER QB . . 3.140 2.274 2.073 2.520 . 0 0 "[ . 1 . 2]" 1
197 1 9 SER H 1 10 THR H . . 3.310 2.811 2.619 2.941 . 0 0 "[ . 1 . 2]" 1
198 1 9 SER H 1 12 LYS QG . . 3.500 6.424 5.230 7.105 3.605 13 20 [*****-******+*******] 1
199 1 9 SER HA 1 11 ALA H . . 3.500 4.765 4.403 4.964 1.464 12 20 [*****-*****+********] 1
200 1 9 SER HA 1 12 LYS H . . 4.190 3.748 3.588 3.880 . 0 0 "[ . 1 . 2]" 1
201 1 9 SER HA 1 12 LYS QE . . 3.500 5.060 4.248 6.127 2.627 6 20 [**-**+**************] 1
202 1 9 SER HA 1 12 LYS QG . . 3.500 4.617 3.876 5.103 1.603 13 18 "[***-* * ****+*******]" 1
203 1 9 SER HA 1 13 LYS QB . . 3.500 4.673 4.215 4.988 1.488 10 20 [*********+**-*******] 1
204 1 9 SER QB 1 10 THR H . . 3.820 2.623 2.182 3.316 . 0 0 "[ . 1 . 2]" 1
205 1 9 SER QB 1 10 THR HB . . 3.500 5.039 4.654 6.165 2.665 2 20 [*+************-*****] 1
206 1 9 SER QB 1 11 ALA H . . 3.500 4.975 4.602 5.445 1.945 1 20 [+****-**************] 1
207 1 9 SER QB 1 12 LYS QB . . 3.500 4.498 4.179 4.813 1.313 13 20 [**********-*+*******] 1
208 1 9 SER QB 1 12 LYS QD . . 3.500 5.598 4.586 6.985 3.485 6 20 [*****+****-*********] 1
209 1 9 SER QB 1 12 LYS QE . . 3.500 6.224 5.158 7.537 4.037 7 20 [-*****+*************] 1
210 1 10 THR H 1 10 THR HB . . 3.420 2.705 2.562 3.424 0.004 2 0 "[ . 1 . 2]" 1
211 1 10 THR H 1 10 THR MG . . 4.590 3.695 3.066 3.769 . 0 0 "[ . 1 . 2]" 1
212 1 10 THR H 1 11 ALA H . . 3.250 2.902 2.746 3.029 . 0 0 "[ . 1 . 2]" 1
213 1 10 THR H 1 13 LYS QB . . 3.500 4.751 4.471 4.967 1.467 17 20 [************-***+***] 1
214 1 10 THR HA 1 10 THR MG . . 3.040 2.300 2.076 2.411 . 0 0 "[ . 1 . 2]" 1
215 1 10 THR HA 1 13 LYS H . . 3.750 3.730 3.671 3.752 0.002 6 0 "[ . 1 . 2]" 1
216 1 10 THR HA 1 13 LYS QB . . 3.830 2.851 2.659 3.138 . 0 0 "[ . 1 . 2]" 1
217 1 10 THR HB 1 11 ALA H . . 3.480 2.376 2.173 3.006 . 0 0 "[ . 1 . 2]" 1
218 1 10 THR HB 1 11 ALA MB . . 3.500 3.860 3.692 4.134 0.634 2 2 "[ + . - 1 . 2]" 1
219 1 10 THR HB 1 12 LYS H . . 3.500 5.038 4.799 5.366 1.866 2 20 [*+**************-***] 1
220 1 10 THR MG 1 11 ALA H . . 4.600 3.357 3.105 4.146 . 0 0 "[ . 1 . 2]" 1
221 1 10 THR MG 1 12 LYS H . . 3.500 5.193 4.895 5.790 2.290 2 20 [*+**************-***] 1
222 1 10 THR MG 1 13 LYS H . . 3.500 4.897 4.618 5.268 1.768 2 20 [*+*********-********] 1
223 1 10 THR MG 1 13 LYS QB . . 3.500 3.877 3.729 4.113 0.613 2 2 "[ + . 1 . - 2]" 1
224 1 10 THR MG 1 14 LEU HA . . 3.500 5.345 4.903 6.267 2.767 7 20 [**-***+*************] 1
225 1 11 ALA H 1 11 ALA MB . . 2.890 2.175 2.063 2.239 . 0 0 "[ . 1 . 2]" 1
226 1 11 ALA H 1 12 LYS H . . 3.430 2.855 2.655 2.977 . 0 0 "[ . 1 . 2]" 1
227 1 11 ALA H 1 12 LYS QB . . 3.500 4.514 4.356 4.614 1.114 13 20 [*****-******+*******] 1
228 1 11 ALA H 1 12 LYS QG . . 3.500 6.170 5.017 6.476 2.976 7 20 [*****-+*************] 1
229 1 11 ALA H 1 13 LYS H . . 3.500 4.356 4.023 4.585 1.085 17 20 [*****-**********+***] 1
230 1 11 ALA H 1 13 LYS QB . . 3.500 4.977 4.791 5.285 1.785 17 20 [************-***+***] 1
231 1 11 ALA H 1 14 LEU QB . . 3.500 4.789 4.651 4.901 1.401 16 20 [***************+*-**] 1
232 1 11 ALA HA 1 12 LYS H . . 4.280 3.561 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
233 1 11 ALA HA 1 14 LEU H . . 3.920 3.773 3.424 3.913 . 0 0 "[ . 1 . 2]" 1
234 1 11 ALA HA 1 14 LEU QB . . 3.080 2.820 2.521 2.924 . 0 0 "[ . 1 . 2]" 1
235 1 11 ALA HA 1 14 LEU QD . . 3.470 3.398 3.197 3.452 . 0 0 "[ . 1 . 2]" 1
236 1 11 ALA HA 1 15 TYR H . . 4.900 4.020 3.799 4.229 . 0 0 "[ . 1 . 2]" 1
237 1 11 ALA HA 1 15 TYR QB . . 3.500 4.603 4.167 5.049 1.549 12 20 [***********+****-***] 1
238 1 11 ALA MB 1 12 LYS QE . . 3.500 6.151 5.188 6.864 3.364 14 20 [******-******+******] 1
239 1 11 ALA MB 1 15 TYR QB . . 3.500 4.110 3.811 4.400 0.900 13 14 "[*** ** -*1 *+ ** ***]" 1
240 1 12 LYS H 1 12 LYS QB . . 3.140 2.119 2.042 2.181 . 0 0 "[ . 1 . 2]" 1
241 1 12 LYS H 1 12 LYS QE . . 3.500 5.400 4.880 5.844 2.344 14 20 [**-**********+******] 1
242 1 12 LYS H 1 13 LYS H . . 3.280 2.849 2.732 2.928 . 0 0 "[ . 1 . 2]" 1
243 1 12 LYS H 1 13 LYS QB . . 3.500 4.497 4.432 4.629 1.129 5 20 [*-**+***************] 1
244 1 12 LYS HA 1 12 LYS QE . . 3.500 4.633 3.536 5.029 1.529 2 18 "[*+***- ************]" 1
245 1 12 LYS HA 1 15 TYR H . . 4.180 3.701 3.631 3.777 . 0 0 "[ . 1 . 2]" 1
246 1 12 LYS HA 1 15 TYR QB . . 3.430 2.680 2.555 2.969 . 0 0 "[ . 1 . 2]" 1
247 1 12 LYS HA 1 15 TYR QD . . 4.700 4.132 3.627 4.569 . 0 0 "[ . 1 . 2]" 1
248 1 12 LYS QB 1 12 LYS QE . . 3.500 3.229 3.028 3.516 0.016 7 0 "[ . 1 . 2]" 1
249 1 12 LYS QB 1 13 LYS H . . 3.290 2.428 2.243 2.696 . 0 0 "[ . 1 . 2]" 1
250 1 12 LYS QB 1 15 TYR QB . . 3.500 4.490 4.358 4.755 1.255 12 20 [***********+*-******] 1
251 1 12 LYS QD 1 15 TYR QB . . 3.500 5.151 3.753 5.763 2.263 12 19 "[***** *****+*-******]" 1
252 1 12 LYS QE 1 12 LYS QG . . 3.500 2.304 2.203 2.368 . 0 0 "[ . 1 . 2]" 1
253 1 12 LYS QE 1 13 LYS H . . 3.500 5.876 5.361 6.400 2.900 6 20 [*****+**********-***] 1
254 1 12 LYS QE 1 13 LYS HA . . 3.500 6.476 5.445 7.290 3.790 11 20 [**********+**-******] 1
255 1 12 LYS QE 1 13 LYS QB . . 3.500 6.812 6.004 7.457 3.957 16 20 [***************+-***] 1
256 1 12 LYS QE 1 13 LYS QD . . 3.500 6.303 5.037 8.971 5.471 6 20 [*****+***-**********] 1
257 1 12 LYS QE 1 15 TYR H . . 3.500 7.668 6.779 8.023 4.523 3 20 [**+***-*************] 1
258 1 12 LYS QE 1 15 TYR QB . . 3.500 6.112 4.729 6.628 3.128 3 20 [**+***-*************] 1
259 1 12 LYS QE 1 15 TYR QD . . 3.500 6.260 4.955 7.107 3.607 3 20 [**+****-************] 1
260 1 12 LYS QE 1 15 TYR QE . . 3.500 7.140 5.530 8.136 4.636 3 20 [**+**-**************] 1
261 1 12 LYS QE 1 16 LYS H . . 3.500 6.781 5.580 7.604 4.104 11 20 [*******-**+*********] 1
262 1 12 LYS QE 1 16 LYS QB . . 3.500 5.957 4.738 7.166 3.666 11 20 [**********+**-******] 1
263 1 12 LYS QE 1 16 LYS QD . . 3.500 5.803 3.635 8.597 5.097 11 18 "[* *** **-*+*********]" 1
264 1 12 LYS QE 1 16 LYS QG . . 3.500 5.790 3.687 7.366 3.866 3 19 "[**+****-***** ******]" 1
265 1 12 LYS QG 1 13 LYS H . . 3.500 4.127 3.695 4.401 0.901 6 15 "[****.+ * 1**-** ****]" 1
266 1 12 LYS QG 1 13 LYS HA . . 3.500 4.755 4.074 5.824 2.324 6 20 [*****+***-**********] 1
267 1 12 LYS QG 1 13 LYS QB . . 3.500 5.426 4.985 5.796 2.296 8 20 [*******+*-**********] 1
268 1 12 LYS QG 1 14 LEU H . . 3.500 6.015 5.724 6.355 2.855 14 20 [***********-*+******] 1
269 1 12 LYS QG 1 15 TYR QB . . 3.500 3.851 3.613 4.790 1.290 6 2 "[ .+ - 1 . 2]" 1
270 1 12 LYS QG 1 15 TYR QD . . 3.500 4.230 3.663 5.511 2.011 6 15 "[-***.+** *** ** ***]" 1
271 1 12 LYS QG 1 16 LYS H . . 3.500 4.475 4.013 5.923 2.423 6 20 [*****+**-***********] 1
272 1 12 LYS QG 1 16 LYS QB . . 3.500 4.282 3.623 5.762 2.262 6 9 "[ **.+-* 1* *. * *]" 1
273 1 13 LYS H 1 13 LYS QB . . 3.160 2.079 2.038 2.236 . 0 0 "[ . 1 . 2]" 1
274 1 13 LYS H 1 13 LYS QD . . 3.780 3.305 2.601 3.828 0.048 6 0 "[ . 1 . 2]" 1
275 1 13 LYS H 1 14 LEU H . . 3.250 2.892 2.709 2.996 . 0 0 "[ . 1 . 2]" 1
276 1 13 LYS H 1 15 TYR H . . 3.500 4.173 3.988 4.369 0.869 8 18 "[***** *+***** **-***]" 1
277 1 13 LYS QB 1 14 LEU H . . 3.690 2.342 2.191 2.576 . 0 0 "[ . 1 . 2]" 1
278 1 13 LYS QB 1 15 TYR H . . 3.500 4.545 4.351 4.680 1.180 12 20 [***********+*-******] 1
279 1 13 LYS QG 1 17 LYS H . . 3.500 4.558 3.738 5.885 2.385 5 19 "[****+ ******-*******]" 1
280 1 14 LEU H 1 14 LEU QB . . 3.020 2.071 2.059 2.251 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU H 1 14 LEU QD . . 4.650 3.439 1.949 3.540 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU H 1 14 LEU HG . . 3.270 3.288 3.274 3.511 0.241 12 0 "[ . 1 . 2]" 1
283 1 14 LEU H 1 15 TYR H . . 3.280 2.834 2.777 2.900 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU H 1 15 TYR QB . . 3.500 4.553 4.529 4.577 1.077 18 20 [*****-***********+**] 1
285 1 14 LEU H 1 17 LYS H . . 3.500 4.861 4.714 5.041 1.541 14 20 [*******-*****+******] 1
286 1 14 LEU H 1 17 LYS QG . . 3.500 5.696 3.732 6.737 3.237 19 19 "[************* **-*+*]" 1
287 1 14 LEU HA 1 15 TYR H . . 4.020 3.542 3.514 3.561 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU QB 1 15 TYR H . . 3.570 2.645 2.514 2.788 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU QB 1 15 TYR QB . . 3.500 3.947 3.878 4.040 0.540 14 2 "[ . 1 +.- 2]" 1
290 1 14 LEU QB 1 18 GLY H . . 3.500 4.683 4.574 4.777 1.277 2 20 [*+*******-**********] 1
291 1 14 LEU QD 1 15 TYR H . . 5.500 4.008 3.880 4.132 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU QD 1 17 LYS H . . 3.500 5.015 4.663 5.558 2.058 14 20 [**********-**+******] 1
293 1 14 LEU QD 1 18 GLY H . . 3.500 3.975 3.700 4.507 1.007 12 6 "[ - . 1 + *.*** 2]" 1
294 1 14 LEU HG 1 15 TYR H . . 4.990 4.971 4.889 4.999 0.009 17 0 "[ . 1 . 2]" 1
295 1 15 TYR H 1 15 TYR QB . . 3.130 2.244 2.234 2.253 . 0 0 "[ . 1 . 2]" 1
296 1 15 TYR H 1 16 LYS H . . 3.510 2.922 2.762 3.032 . 0 0 "[ . 1 . 2]" 1
297 1 15 TYR H 1 17 LYS QB . . 3.500 4.858 4.584 5.524 2.024 14 20 [*******-*****+******] 1
298 1 15 TYR HA 1 16 LYS HA . . 3.500 4.802 4.770 4.828 1.328 18 20 [***************-*+**] 1
299 1 15 TYR HA 1 18 GLY QA . . 3.500 3.996 3.390 4.435 0.935 7 10 "[ *** +**** .- *]" 1
300 1 15 TYR HA 1 19 LYS H . . 4.460 4.064 3.691 4.272 . 0 0 "[ . 1 . 2]" 1
301 1 15 TYR QB 1 15 TYR QD . . 3.140 2.137 2.135 2.151 . 0 0 "[ . 1 . 2]" 1
302 1 15 TYR QB 1 16 LYS H . . 3.770 2.198 2.091 2.291 . 0 0 "[ . 1 . 2]" 1
303 1 15 TYR QB 1 16 LYS QB . . 3.500 3.828 3.725 3.899 0.399 6 0 "[ . 1 . 2]" 1
304 1 15 TYR QB 1 16 LYS QG . . 3.500 4.559 3.769 4.861 1.361 19 19 "[******-****** ****+*]" 1
305 1 15 TYR QB 1 17 LYS H . . 3.500 4.696 4.482 4.885 1.385 12 20 [******-****+********] 1
306 1 15 TYR QD 1 16 LYS H . . 4.030 2.616 2.470 3.052 . 0 0 "[ . 1 . 2]" 1
307 1 15 TYR QD 1 16 LYS HA . . 4.210 2.933 2.587 3.821 . 0 0 "[ . 1 . 2]" 1
308 1 15 TYR QD 1 16 LYS QB . . 3.500 3.518 3.409 4.127 0.627 14 1 "[ . 1 +. 2]" 1
309 1 15 TYR QD 1 16 LYS QD . . 3.860 3.461 2.831 3.885 0.025 14 0 "[ . 1 . 2]" 1
310 1 15 TYR QD 1 16 LYS QG . . 3.950 3.113 2.793 3.477 . 0 0 "[ . 1 . 2]" 1
311 1 15 TYR QD 1 17 LYS H . . 3.500 5.117 4.841 5.634 2.134 14 20 [*******-*****+******] 1
312 1 15 TYR QD 1 19 LYS H . . 3.500 4.946 4.739 5.095 1.595 17 20 [*******-********+***] 1
313 1 15 TYR QD 1 19 LYS QB . . 3.500 4.263 3.740 5.440 1.940 14 16 "[** *** ** -*+******]" 1
314 1 15 TYR QD 1 19 LYS QE . . 3.500 5.193 3.480 7.244 3.744 19 19 "[*************-*** +*]" 1
315 1 15 TYR QD 1 19 LYS QG . . 3.500 4.776 3.903 5.197 1.697 13 18 "[**-*********+ ** ***]" 1
316 1 15 TYR QE 1 16 LYS H . . 3.500 4.819 4.755 5.001 1.501 14 20 [**-**********+******] 1
317 1 15 TYR QE 1 16 LYS QD . . 5.410 4.017 3.855 4.408 . 0 0 "[ . 1 . 2]" 1
318 1 15 TYR QE 1 16 LYS QG . . 3.890 3.848 3.641 3.917 0.027 14 0 "[ . 1 . 2]" 1
319 1 15 TYR QE 1 19 LYS QB . . 3.500 4.103 3.543 5.196 1.696 14 11 "[ *** ** *+- ** *]" 1
320 1 15 TYR QE 1 19 LYS QE . . 3.500 4.026 3.452 6.265 2.765 19 4 "[ - . * 1* . +2]" 1
321 1 15 TYR HH 1 19 LYS QG . . 3.500 4.424 3.667 5.141 1.641 18 15 "[** ****-*1* *** +**]" 1
322 1 16 LYS H 1 16 LYS QB . . 3.080 2.053 2.042 2.153 . 0 0 "[ . 1 . 2]" 1
323 1 16 LYS H 1 18 GLY H . . 3.500 4.367 3.935 4.621 1.121 3 18 "[**+********** ** -**]" 1
324 1 16 LYS H 1 19 LYS QG . . 3.500 6.369 5.318 6.876 3.376 18 20 [****************-+**] 1
325 1 16 LYS HA 1 16 LYS QD . . 3.460 2.775 1.987 3.473 0.013 17 0 "[ . 1 . 2]" 1
326 1 16 LYS HA 1 16 LYS QG . . 3.570 2.258 2.002 2.616 . 0 0 "[ . 1 . 2]" 1
327 1 16 LYS HA 1 17 LYS H . . 4.170 3.560 3.538 3.570 . 0 0 "[ . 1 . 2]" 1
328 1 16 LYS HA 1 17 LYS HA . . 3.500 4.824 4.743 4.863 1.363 7 20 [******+**********-**] 1
329 1 16 LYS HA 1 19 LYS H . . 4.290 3.751 3.436 3.986 . 0 0 "[ . 1 . 2]" 1
330 1 16 LYS HA 1 20 LYS QB . . 3.500 4.955 4.446 5.473 1.973 10 20 [*********+*******-**] 1
331 1 16 LYS QB 1 19 LYS QE . . 3.500 6.062 4.628 7.790 4.290 19 20 [*************-****+*] 1
332 1 16 LYS QG 1 19 LYS QE . . 3.500 4.995 3.524 7.209 3.709 11 15 "[*** -* * *+** ** ***]" 1
333 1 17 LYS H 1 18 GLY H . . 3.210 2.866 2.631 2.976 . 0 0 "[ . 1 . 2]" 1
334 1 17 LYS H 1 19 LYS QG . . 3.500 6.976 5.935 7.348 3.848 13 20 [************+***-***] 1
335 1 17 LYS HA 1 18 GLY H . . 3.990 3.557 3.498 3.574 . 0 0 "[ . 1 . 2]" 1
336 1 17 LYS HA 1 18 GLY QA . . 3.500 4.489 4.451 4.514 1.014 18 20 [**-**************+**] 1
337 1 17 LYS QB 1 18 GLY H . . 3.680 2.450 2.182 3.511 . 0 0 "[ . 1 . 2]" 1
338 1 17 LYS QB 1 18 GLY QA . . 3.500 3.599 3.414 4.275 0.775 14 1 "[ . 1 +. 2]" 1
339 1 17 LYS QD 1 18 GLY H . . 3.500 4.694 3.483 5.209 1.709 17 18 "[** *******-** **+***]" 1
340 1 17 LYS QD 1 18 GLY QA . . 3.500 5.137 2.995 5.666 2.166 20 19 "[**-********** *****+]" 1
341 1 17 LYS QG 1 18 GLY QA . . 3.500 4.413 3.182 5.297 1.797 16 11 "[**- .* * ** *+** 2]" 1
342 1 18 GLY H 1 19 LYS H . . 3.370 2.883 2.693 3.006 . 0 0 "[ . 1 . 2]" 1
343 1 18 GLY H 1 19 LYS QB . . 3.500 4.601 4.374 4.984 1.484 17 20 [**-*************+***] 1
344 1 18 GLY H 1 19 LYS QG . . 3.500 6.062 4.383 6.373 2.873 12 20 [***********+*-******] 1
345 1 18 GLY H 1 20 LYS H . . 3.500 4.523 4.130 4.679 1.179 7 20 [******+**********-**] 1
346 1 18 GLY H 1 21 LEU QB . . 3.500 4.543 4.212 5.081 1.581 18 20 [******-**********+**] 1
347 1 18 GLY H 1 21 LEU QD . . 3.500 4.820 3.763 5.866 2.366 1 16 "[+***. **-1* ********]" 1
348 1 18 GLY QA 1 19 LYS H . . 3.830 2.607 2.531 2.761 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLY QA 1 19 LYS HA . . 3.500 4.021 3.980 4.053 0.553 7 19 "[******+*********- **]" 1
350 1 18 GLY QA 1 19 LYS QB . . 3.500 4.271 4.178 4.644 1.144 17 20 [************-***+***] 1
351 1 18 GLY QA 1 20 LYS QB . . 3.500 5.073 4.916 5.641 2.141 7 20 [**-***+*************] 1
352 1 18 GLY QA 1 21 LEU H . . 3.500 3.523 3.296 4.089 0.589 18 1 "[ . 1 . + 2]" 1
353 1 18 GLY QA 1 21 LEU QB . . 3.500 2.637 2.137 3.690 0.190 18 0 "[ . 1 . 2]" 1
354 1 18 GLY QA 1 21 LEU HG . . 3.500 4.830 3.699 5.703 2.203 17 16 "[** *** *****-**+**2]" 1
355 1 18 GLY QA 1 27 PHE HA . . 3.500 10.441 7.790 13.691 10.191 17 20 [***-************+***] 1
356 1 18 GLY QA 1 27 PHE QD . . 3.500 8.096 5.239 12.489 8.989 18 20 [***-*************+**] 1
357 1 18 GLY QA 1 27 PHE QE . . 3.500 8.066 3.868 13.885 10.385 18 19 "[*** **-**********+**]" 1
358 1 18 GLY QA 1 30 ALA MB . . 3.500 10.143 6.939 13.493 9.993 12 20 [*********-*+********] 1
359 1 19 LYS H 1 19 LYS QB . . 3.150 2.172 2.102 2.625 . 0 0 "[ . 1 . 2]" 1
360 1 19 LYS H 1 19 LYS QE . . 3.500 5.047 3.400 5.496 1.996 19 19 "[*************-*** +*]" 1
361 1 19 LYS H 1 19 LYS QG . . 4.200 3.560 1.989 3.770 . 0 0 "[ . 1 . 2]" 1
362 1 19 LYS H 1 20 LYS H . . 3.350 2.896 2.342 2.967 . 0 0 "[ . 1 . 2]" 1
363 1 19 LYS H 1 20 LYS QB . . 3.500 4.702 4.143 4.921 1.421 9 20 [********+********-**] 1
364 1 19 LYS H 1 20 LYS QG . . 3.500 4.868 4.374 5.356 1.856 3 20 [**+**********-******] 1
365 1 19 LYS H 1 22 SER H . . 3.500 4.704 4.514 5.155 1.655 5 20 [****+***********-***] 1
366 1 19 LYS H 1 27 PHE QE . . 3.500 9.964 6.773 14.893 11.393 18 20 [***-*************+**] 1
367 1 19 LYS HA 1 19 LYS QE . . 3.500 4.456 3.494 4.835 1.335 16 15 "[** **** ** ****+- *]" 1
368 1 19 LYS HA 1 20 LYS H . . 3.620 3.567 3.534 3.569 . 0 0 "[ . 1 . 2]" 1
369 1 19 LYS HA 1 20 LYS HA . . 3.500 4.804 4.703 4.873 1.373 18 20 [******-**********+**] 1
370 1 19 LYS HA 1 23 LYS H . . 3.500 4.977 3.975 6.068 2.568 5 19 "[ ***+************-**]" 1
371 1 19 LYS HA 1 23 LYS QG . . 3.500 6.008 4.511 7.600 4.100 10 20 [*****-***+**********] 1
372 1 19 LYS HA 1 27 PHE QE . . 3.500 8.991 4.915 13.015 9.515 13 20 [**-*********+*******] 1
373 1 19 LYS QD 1 20 LYS H . . 3.510 3.551 3.524 3.855 0.345 18 0 "[ . 1 . 2]" 1
374 1 19 LYS QD 1 22 SER H . . 3.500 5.342 4.980 6.305 2.805 14 20 [***********-*+******] 1
375 1 19 LYS QD 1 22 SER QB . . 3.500 4.709 4.111 5.743 2.243 14 20 [***********-*+******] 1
376 1 19 LYS QE 1 19 LYS QG . . 3.500 2.456 2.342 2.557 . 0 0 "[ . 1 . 2]" 1
377 1 19 LYS QE 1 20 LYS H . . 3.500 4.650 4.069 5.341 1.841 18 20 [****************-+**] 1
378 1 19 LYS QE 1 20 LYS HA . . 3.500 5.075 3.885 7.366 3.866 18 16 "[** **** ** -*****+ *]" 1
379 1 19 LYS QE 1 20 LYS QB . . 3.500 5.705 4.778 6.812 3.312 18 20 [******-**********+**] 1
380 1 19 LYS QE 1 22 SER QB . . 3.500 5.595 3.533 6.606 3.106 20 18 "[** **** **-********+]" 1
381 1 19 LYS QE 1 23 LYS H . . 3.500 6.744 4.565 7.943 4.443 7 20 [******+***********-*] 1
382 1 19 LYS QG 1 20 LYS H . . 3.500 4.155 3.933 4.480 0.980 18 18 "[************* -* +**]" 1
383 1 19 LYS QG 1 20 LYS HA . . 3.500 5.054 4.874 5.758 2.258 14 20 [*************+-*****] 1
384 1 19 LYS QG 1 21 LEU H . . 3.500 5.627 5.380 5.848 2.348 19 20 [************-*****+*] 1
385 1 19 LYS QG 1 22 SER H . . 3.500 4.905 4.721 5.312 1.812 7 20 [******+********-****] 1
386 1 19 LYS QG 1 22 SER QB . . 3.500 3.735 3.375 4.258 0.758 14 5 "[ . * 1 +. ** -]" 1
387 1 20 LYS H 1 20 LYS HA . . 3.000 2.780 2.758 2.850 . 0 0 "[ . 1 . 2]" 1
388 1 20 LYS H 1 20 LYS QB . . 3.500 2.322 2.119 2.529 . 0 0 "[ . 1 . 2]" 1
389 1 20 LYS H 1 20 LYS QG . . 4.130 2.506 2.018 3.031 . 0 0 "[ . 1 . 2]" 1
390 1 20 LYS H 1 21 LEU H . . 2.790 2.745 2.520 2.822 0.032 19 0 "[ . 1 . 2]" 1
391 1 20 LYS H 1 21 LEU QD . . 3.500 4.954 3.944 5.695 2.195 17 18 "[** ****-********+ **]" 1
392 1 20 LYS HA 1 22 SER QB . . 3.500 4.909 4.399 5.923 2.423 18 20 [***********-*****+**] 1
393 1 20 LYS HA 1 24 ASN QB . . 3.500 6.298 4.417 8.255 4.755 19 20 [****-*************+*] 1
394 1 20 LYS QB 1 21 LEU H . . 3.370 2.760 2.527 3.476 0.106 16 0 "[ . 1 . 2]" 1
395 1 20 LYS QB 1 27 PHE QE . . 3.500 8.581 3.795 12.271 8.771 18 18 "[***********-* ** +**]" 1
396 1 20 LYS QG 1 27 PHE QB . . 3.500 9.240 5.184 11.722 8.222 11 20 [**********+**-******] 1
397 1 21 LEU H 1 22 SER H . . 3.410 2.472 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
398 1 21 LEU H 1 22 SER QB . . 3.500 4.207 4.031 4.567 1.067 5 20 [**-*+***************] 1
399 1 21 LEU H 1 23 LYS H . . 3.500 4.263 3.866 4.738 1.238 5 19 "[**-*+************ **]" 1
400 1 21 LEU H 1 24 ASN QB . . 3.500 5.858 3.991 8.143 4.643 18 19 [****.****-*******+**] 1
401 1 21 LEU H 1 24 ASN QD . . 3.500 6.615 4.601 9.090 5.590 18 20 [*********-*******+**] 1
402 1 21 LEU H 1 27 PHE QB . . 3.500 7.858 5.334 10.118 6.618 18 20 [*************-***+**] 1
403 1 21 LEU H 1 27 PHE QD . . 3.500 7.733 6.138 10.849 7.349 18 20 [***-*************+**] 1
404 1 21 LEU H 1 27 PHE QE . . 3.500 8.275 5.845 12.562 9.062 18 20 [***-*************+**] 1
405 1 21 LEU HA 1 21 LEU QD . . 3.320 2.523 1.920 3.056 . 0 0 "[ . 1 . 2]" 1
406 1 21 LEU HA 1 22 SER H . . 3.380 3.410 3.391 3.458 0.078 14 0 "[ . 1 . 2]" 1
407 1 21 LEU HA 1 22 SER HA . . 3.500 4.761 4.672 4.900 1.400 13 20 [************+*****-*] 1
408 1 21 LEU HA 1 24 ASN H . . 4.560 3.880 2.991 4.628 0.068 13 0 "[ . 1 . 2]" 1
409 1 21 LEU HA 1 26 ASN QB . . 3.500 7.012 3.715 9.385 5.885 11 19 [-********1+*********] 1
410 1 21 LEU HA 1 26 ASN QD . . 3.500 8.401 5.524 11.422 7.922 9 20 [********+********-**] 1
411 1 21 LEU HA 1 27 PHE QB . . 3.500 6.234 4.021 8.320 4.820 11 20 [**********+**-******] 1
412 1 21 LEU HA 1 27 PHE QD . . 3.500 6.363 3.996 8.939 5.439 18 19 [****-************+*2] 1
413 1 21 LEU QB 1 22 SER H . . 3.550 3.070 2.896 3.119 . 0 0 "[ . 1 . 2]" 1
414 1 21 LEU QB 1 22 SER QB . . 3.500 4.239 4.012 4.498 0.998 5 20 [****+*********-*****] 1
415 1 21 LEU QB 1 26 ASN H . . 3.500 7.853 5.112 9.892 6.392 9 20 [********+********-**] 1
416 1 21 LEU QB 1 26 ASN QB . . 3.500 7.128 3.256 9.733 6.233 9 19 [-*******+1**********] 1
417 1 21 LEU QB 1 26 ASN QD . . 3.500 8.264 4.030 11.744 8.244 9 20 [********+********-**] 1
418 1 21 LEU QB 1 27 PHE H . . 3.500 7.387 5.330 9.035 5.535 13 20 [*********-**+*******] 1
419 1 21 LEU QB 1 27 PHE HA . . 3.500 8.056 5.639 10.366 6.866 12 20 [***-*******+********] 1
420 1 21 LEU QB 1 27 PHE QB . . 3.500 6.296 4.151 8.277 4.777 13 20 [***-********+*******] 1
421 1 21 LEU QB 1 27 PHE HZ . . 3.500 8.376 4.545 13.288 9.788 18 20 [***-*************+**] 1
422 1 21 LEU QD 1 22 SER QB . . 3.500 4.772 3.832 5.419 1.919 5 18 "[****+******** -* ***]" 1
423 1 21 LEU QD 1 23 LYS H . . 3.500 4.923 4.298 5.628 2.128 5 20 [****+*************-*] 1
424 1 21 LEU QD 1 24 ASN H . . 3.500 4.580 3.585 5.858 2.358 17 16 "[* * *** **-**** +***]" 1
425 1 21 LEU QD 1 24 ASN QD . . 3.500 4.480 3.087 7.426 3.926 18 9 "[* .* *1 * **-*+ 2]" 1
426 1 21 LEU QD 1 25 LYS H . . 3.500 6.141 3.743 8.203 4.703 9 19 "[********+**** ***-**]" 1
427 1 21 LEU QD 1 26 ASN H . . 3.500 6.119 3.787 8.936 5.436 9 19 "[-*******+****** ****]" 1
428 1 21 LEU QD 1 26 ASN HA . . 3.500 7.214 4.756 10.317 6.817 9 20 [-*******+***********] 1
429 1 21 LEU QD 1 26 ASN QB . . 3.500 5.481 2.556 8.394 4.894 9 16 "[ **** **+1***** **-*]" 1
430 1 21 LEU QD 1 26 ASN QD . . 3.500 6.288 3.382 10.308 6.808 9 17 "[ *******+1***** **-*]" 1
431 1 21 LEU QD 1 27 PHE H . . 3.500 5.909 4.426 7.703 4.203 13 20 [*-**********+*******] 1
432 1 21 LEU QD 1 27 PHE HA . . 3.500 6.543 4.647 8.631 5.131 17 20 [*-**************+***] 1
433 1 21 LEU QD 1 27 PHE QB . . 3.500 5.217 3.393 7.028 3.528 17 15 "[* **** *****-.*+**2]" 1
434 1 21 LEU QD 1 27 PHE HZ . . 3.500 7.201 3.419 11.503 8.003 18 17 "[****** *** ***.**+*-]" 1
435 1 21 LEU QD 1 28 LYS H . . 3.500 7.120 4.015 9.521 6.021 13 20 [************+-******] 1
436 1 21 LEU QD 1 30 ALA H . . 3.500 8.304 6.729 10.739 7.239 13 20 [*********-**+*******] 1
437 1 21 LEU HG 1 24 ASN H . . 3.500 6.100 4.285 8.208 4.708 18 20 [******-**********+**] 1
438 1 21 LEU HG 1 26 ASN H . . 3.500 8.368 5.538 10.618 7.118 9 20 [********+-**********] 1
439 1 21 LEU HG 1 26 ASN QD . . 3.500 8.611 5.428 12.572 9.072 9 20 [********+-**********] 1
440 1 21 LEU HG 1 27 PHE H . . 3.500 8.080 6.243 10.072 6.572 3 20 [**+***********-*****] 1
441 1 21 LEU HG 1 27 PHE HA . . 3.500 8.916 6.133 12.070 8.570 18 20 [**************-**+**] 1
442 1 21 LEU HG 1 27 PHE QB . . 3.500 7.097 3.595 10.312 6.812 18 19 [******-*******.**+**] 1
443 1 21 LEU HG 1 27 PHE QE . . 3.500 7.668 3.579 13.674 10.174 18 18 "[* *-*************+*2]" 1
444 1 22 SER H 1 22 SER QB . . 3.360 2.195 2.068 2.397 . 0 0 "[ . 1 . 2]" 1
445 1 22 SER H 1 23 LYS H . . 3.470 2.529 2.309 2.879 . 0 0 "[ . 1 . 2]" 1
446 1 22 SER H 1 23 LYS QG . . 3.500 4.640 3.923 6.044 2.544 10 18 "[ *******-+******** *]" 1
447 1 22 SER H 1 27 PHE QB . . 3.500 6.841 4.990 9.546 6.046 13 20 [************+*****-*] 1
448 1 22 SER H 1 27 PHE QD . . 3.500 6.801 4.936 9.469 5.969 18 20 [***************-*+**] 1
449 1 22 SER H 1 27 PHE QE . . 3.500 7.509 5.361 11.068 7.568 18 20 [**********-******+**] 1
450 1 22 SER HA 1 23 LYS HA . . 3.500 4.734 4.545 4.900 1.400 19 20 [************-*****+*] 1
451 1 22 SER HA 1 24 ASN QB . . 3.500 5.149 4.127 7.232 3.732 14 20 [**********-**+******] 1
452 1 22 SER HA 1 25 LYS HA . . 3.500 7.293 6.197 10.129 6.629 13 20 [***********-+*******] 1
453 1 22 SER HA 1 26 ASN QB . . 3.500 7.372 3.118 10.816 7.316 13 16 "[ *-*********+** * *]" 1
454 1 22 SER HA 1 26 ASN QD . . 3.500 8.931 2.366 12.739 9.239 5 19 "[-***+************ **]" 1
455 1 22 SER HA 1 27 PHE H . . 3.500 6.823 4.017 10.908 7.408 13 20 [************+*****-*] 1
456 1 22 SER HA 1 27 PHE HA . . 3.500 7.808 3.971 12.846 9.346 13 19 [*****-***1**+*******] 1
457 1 22 SER HA 1 27 PHE QB . . 3.500 5.587 3.100 9.797 6.297 13 13 "[-* * **1**+** ** *]" 1
458 1 22 SER HA 1 28 LYS H . . 3.500 8.068 6.083 12.923 9.423 13 20 [*******-****+*******] 1
459 1 22 SER HA 1 28 LYS QE . . 3.500 8.949 3.781 12.819 9.319 13 19 [*******-****+******2] 1
460 1 22 SER QB 1 23 LYS H . . 3.500 3.115 2.421 3.690 0.190 11 0 "[ . 1 . 2]" 1
461 1 22 SER QB 1 23 LYS HA . . 3.500 4.394 3.843 4.805 1.305 11 17 "[* **- ***+*********]" 1
462 1 22 SER QB 1 23 LYS QB . . 3.500 4.532 3.715 5.305 1.805 19 16 "[* *******1* *-***+*]" 1
463 1 22 SER QB 1 23 LYS QG . . 3.500 4.367 2.980 5.973 2.473 18 13 "[***-. **** *.**+*2]" 1
464 1 22 SER QB 1 24 ASN H . . 3.500 4.888 4.390 5.976 2.476 18 20 [*-***************+**] 1
465 1 22 SER QB 1 26 ASN QB . . 3.500 8.152 4.636 10.527 7.027 17 20 [-***************+***] 1
466 1 22 SER QB 1 27 PHE H . . 3.500 7.802 4.736 10.116 6.616 17 20 [****************+*-*] 1
467 1 22 SER QB 1 27 PHE HA . . 3.500 8.540 4.340 12.185 8.685 17 20 [****************+*-*] 1
468 1 22 SER QB 1 27 PHE QB . . 3.500 6.329 2.572 9.473 5.973 13 17 "[** ******-**+** ** *]" 1
469 1 22 SER QB 1 27 PHE QD . . 3.500 6.192 1.990 9.567 6.067 13 17 "[ * *********+** **-*]" 1
470 1 22 SER QB 1 27 PHE QE . . 3.500 6.668 2.453 10.493 6.993 13 17 "[-* ** ******+** ****]" 1
471 1 22 SER QB 1 27 PHE HZ . . 3.500 8.339 4.205 12.921 9.421 13 20 [**-*********+*******] 1
472 1 22 SER QB 1 28 LYS QE . . 3.500 8.997 4.138 12.558 9.058 15 20 [*******-******+*****] 1
473 1 23 LYS H 1 23 LYS QB . . 3.140 2.353 2.068 3.105 . 0 0 "[ . 1 . 2]" 1
474 1 23 LYS H 1 23 LYS QG . . 4.220 2.823 2.137 3.907 . 0 0 "[ . 1 . 2]" 1
475 1 23 LYS H 1 24 ASN H . . 3.740 2.743 2.051 3.755 0.015 13 0 "[ . 1 . 2]" 1
476 1 23 LYS H 1 27 PHE QB . . 3.500 6.238 4.330 8.043 4.543 13 20 [*********-**+*******] 1
477 1 23 LYS HA 1 23 LYS QG . . 3.500 2.716 2.160 3.406 . 0 0 "[ . 1 . 2]" 1
478 1 23 LYS HA 1 24 ASN H . . 3.420 3.266 2.253 3.556 0.136 17 0 "[ . 1 . 2]" 1
479 1 23 LYS HA 1 25 LYS H . . 3.500 5.699 3.499 6.722 3.222 1 19 "[+********** *****-**]" 1
480 1 23 LYS HA 1 25 LYS QB . . 3.500 6.650 5.056 7.878 4.378 6 20 [*****+*****-********] 1
481 1 23 LYS HA 1 27 PHE QB . . 3.500 6.037 3.330 7.702 4.202 18 17 "[ **** ***1*****-*+**]" 1
482 1 23 LYS QB 1 24 ASN H . . 4.150 3.288 2.056 3.806 . 0 0 "[ . 1 . 2]" 1
483 1 23 LYS QB 1 25 LYS H . . 3.500 5.533 3.600 6.829 3.329 1 19 "[+***********-**** **]" 1
484 1 23 LYS QB 1 27 PHE QB . . 3.500 6.274 4.828 7.954 4.454 11 20 [*********-+*********] 1
485 1 23 LYS QB 1 27 PHE QD . . 3.500 6.740 4.979 7.981 4.481 13 20 [************+***-***] 1
486 1 23 LYS QD 1 24 ASN H . . 3.500 4.805 3.445 5.841 2.341 20 18 "[*- ************* **+]" 1
487 1 23 LYS QG 1 25 LYS H . . 3.500 6.238 4.161 8.031 4.531 6 20 [*****+******-*******] 1
488 1 23 LYS QG 1 27 PHE QB . . 3.500 6.829 4.840 8.674 5.174 12 20 [*********-*+********] 1
489 1 24 ASN H 1 24 ASN QB . . 3.360 2.314 2.059 2.806 . 0 0 "[ . 1 . 2]" 1
490 1 24 ASN H 1 24 ASN QD . . 3.850 3.578 2.151 3.930 0.080 11 0 "[ . 1 . 2]" 1
491 1 24 ASN H 1 25 LYS H . . 4.420 4.145 1.993 4.608 0.188 19 0 "[ . 1 . 2]" 1
492 1 24 ASN H 1 25 LYS HA . . 3.500 5.237 4.230 5.793 2.293 1 20 [+****************-**] 1
493 1 24 ASN H 1 25 LYS QB . . 3.500 5.727 3.399 6.442 2.942 5 18 "[****+****** **-** **]" 1
494 1 24 ASN H 1 26 ASN H . . 3.500 5.252 4.140 6.131 2.631 9 20 [********+********-**] 1
495 1 24 ASN H 1 26 ASN QB . . 3.500 5.871 4.044 7.162 3.662 13 20 [-***********+*******] 1
496 1 24 ASN H 1 26 ASN QD . . 3.500 7.596 5.944 8.796 5.296 5 20 [**-*+***************] 1
497 1 24 ASN H 1 27 PHE H . . 3.500 5.113 3.703 6.017 2.517 13 19 "[***** ***-**+*******]" 1
498 1 24 ASN H 1 27 PHE QB . . 3.500 4.526 2.688 5.487 1.987 12 16 "[*** * -**1*+*******2]" 1
499 1 24 ASN H 1 27 PHE QD . . 3.500 5.141 4.168 5.562 2.062 19 20 [**********-*******+*] 1
500 1 24 ASN H 1 28 LYS QD . . 3.500 7.306 5.094 9.526 6.026 15 20 [**************+****-] 1
501 1 24 ASN HA 1 25 LYS H . . 3.220 2.403 2.139 3.045 . 0 0 "[ . 1 . 2]" 1
502 1 24 ASN HA 1 26 ASN H . . 3.500 3.821 3.409 4.494 0.994 10 5 "[* * .* + .- 2]" 1
503 1 24 ASN HA 1 27 PHE H . . 3.500 4.594 3.493 5.436 1.936 16 17 "[********-** **+* **]" 1
504 1 24 ASN HA 1 28 LYS H . . 3.500 6.474 5.506 7.593 4.093 11 20 [*******-**+*********] 1
505 1 24 ASN QB 1 25 LYS H . . 3.500 3.265 1.929 3.893 0.393 9 0 "[ . 1 . 2]" 1
506 1 24 ASN QB 1 25 LYS HA . . 3.500 4.526 4.156 4.986 1.486 11 20 [**********+******-**] 1
507 1 24 ASN QB 1 26 ASN H . . 5.290 3.441 2.107 4.908 . 0 0 "[ . 1 . 2]" 1
508 1 24 ASN QB 1 26 ASN HA . . 3.500 5.572 4.556 7.062 3.562 18 20 [***************-*+**] 1
509 1 24 ASN QB 1 26 ASN QD . . 3.500 5.579 3.830 7.187 3.687 18 18 "[** ******* ******+-*]" 1
510 1 24 ASN QB 1 27 PHE H . . 4.700 3.459 2.412 4.504 . 0 0 "[ . 1 . 2]" 1
511 1 24 ASN QB 1 27 PHE HA . . 3.500 5.255 4.206 6.768 3.268 19 20 [******-***********+*] 1
512 1 24 ASN QB 1 27 PHE QB . . 3.500 3.380 2.023 5.246 1.746 19 7 "[* * - ** .* +2]" 1
513 1 24 ASN QB 1 27 PHE QD . . 3.500 4.087 2.064 6.391 2.891 3 8 "[* + ** * -.* *2]" 1
514 1 24 ASN QB 1 27 PHE QE . . 3.500 5.798 3.892 8.115 4.615 3 18 "[**+****-** * *******]" 1
515 1 24 ASN QB 1 28 LYS H . . 3.500 5.400 3.766 6.827 3.327 11 19 "[******* **+*****-***]" 1
516 1 24 ASN QB 1 28 LYS HA . . 3.500 7.620 5.946 8.952 5.452 11 20 [*******-**+*********] 1
517 1 24 ASN QD 1 25 LYS H . . 3.500 4.185 3.393 4.852 1.352 7 13 "[ ****+ ****-** * 2]" 1
518 1 24 ASN QD 1 25 LYS HA . . 3.500 5.952 4.341 6.771 3.271 7 20 [******+***********-*] 1
519 1 24 ASN QD 1 26 ASN H . . 3.500 4.559 2.223 5.295 1.795 6 16 "[* **+*-** ******* *]" 1
520 1 24 ASN QD 1 27 PHE H . . 3.500 4.914 2.328 6.562 3.062 16 17 "[**-*.***** ****+** *]" 1
521 1 24 ASN QD 1 27 PHE QB . . 3.500 4.845 2.090 6.899 3.399 16 16 "[****.*** * ****+*- *]" 1
522 1 24 ASN QD 1 28 LYS H . . 3.500 6.981 4.531 8.423 4.923 10 20 [*********+********-*] 1
523 1 25 LYS H 1 25 LYS QB . . 3.530 2.343 2.045 2.717 . 0 0 "[ . 1 . 2]" 1
524 1 25 LYS H 1 25 LYS QG . . 3.970 2.911 1.950 3.970 0.000 17 0 "[ . 1 . 2]" 1
525 1 25 LYS H 1 26 ASN HA . . 3.500 5.041 4.859 5.327 1.827 7 20 [******+***-*********] 1
526 1 25 LYS H 1 26 ASN QB . . 3.500 4.376 3.991 4.913 1.413 20 18 "[********-**** .****+]" 1
527 1 25 LYS H 1 26 ASN QD . . 3.500 5.479 4.256 6.707 3.207 4 20 [***+******-*********] 1
528 1 25 LYS H 1 27 PHE H . . 3.500 4.184 3.780 4.640 1.140 20 15 "[*****-** ** *.** *+]" 1
529 1 25 LYS H 1 27 PHE QB . . 3.500 5.076 4.555 5.693 2.193 19 20 [********-*********+*] 1
530 1 25 LYS H 1 28 LYS H . . 3.500 5.559 4.991 6.348 2.848 11 20 [*******-**+*********] 1
531 1 25 LYS H 1 28 LYS QD . . 3.500 6.355 5.010 7.470 3.970 16 20 [******-********+****] 1
532 1 25 LYS HA 1 25 LYS QG . . 3.430 2.616 2.095 3.392 . 0 0 "[ . 1 . 2]" 1
533 1 25 LYS HA 1 26 ASN H . . 3.530 3.468 3.358 3.535 0.005 13 0 "[ . 1 . 2]" 1
534 1 25 LYS HA 1 27 PHE QB . . 3.500 4.299 3.548 5.026 1.526 20 19 "[**-******* ********+]" 1
535 1 25 LYS HA 1 28 LYS H . . 5.210 3.680 3.019 4.533 . 0 0 "[ . 1 . 2]" 1
536 1 25 LYS HA 1 28 LYS QE . . 3.500 4.882 3.506 6.591 3.091 15 18 "[*** *******-**+*** *]" 1
537 1 25 LYS QB 1 26 ASN HA . . 3.500 4.049 3.750 4.556 1.056 16 9 "[ **. 1-* **+* *2]" 1
538 1 25 LYS QB 1 26 ASN QB . . 3.500 4.727 4.089 5.405 1.905 3 20 [**+*****-***********] 1
539 1 25 LYS QB 1 26 ASN QD . . 3.500 5.078 3.591 6.174 2.674 3 19 "[**+***** *****-*****]" 1
540 1 25 LYS QB 1 27 PHE H . . 3.500 4.671 4.365 4.965 1.465 16 20 [**********-****+****] 1
541 1 25 LYS QB 1 29 LYS QE . . 3.500 7.154 4.546 9.426 5.926 15 20 [**************+****-] 1
542 1 25 LYS QG 1 26 ASN HA . . 3.500 4.867 3.531 5.843 2.343 19 13 "[** **-**** * . *+*]" 1
543 1 25 LYS QG 1 26 ASN QD . . 3.500 5.752 2.570 7.581 4.081 19 17 "[*********** * .*-*+*]" 1
544 1 25 LYS QG 1 29 LYS QE . . 3.500 7.526 4.671 10.122 6.622 11 20 [**********+*****-***] 1
545 1 26 ASN H 1 26 ASN QB . . 3.240 2.310 2.046 2.695 . 0 0 "[ . 1 . 2]" 1
546 1 26 ASN H 1 26 ASN QD . . 3.500 3.743 2.882 4.366 0.866 4 5 "[* +.* 1 .- *2]" 1
547 1 26 ASN H 1 27 PHE H . . 3.350 2.696 2.433 2.903 . 0 0 "[ . 1 . 2]" 1
548 1 26 ASN H 1 27 PHE HA . . 3.500 5.230 4.826 5.455 1.955 20 20 [*****************-*+] 1
549 1 26 ASN H 1 27 PHE QB . . 3.500 4.378 4.104 4.553 1.053 20 20 [*****************-*+] 1
550 1 26 ASN H 1 28 LYS H . . 3.500 4.442 4.278 4.756 1.256 11 20 [**********+*****-***] 1
551 1 26 ASN H 1 28 LYS QD . . 3.500 6.165 5.324 7.203 3.703 16 20 [*********-*****+****] 1
552 1 26 ASN H 1 28 LYS QG . . 3.500 6.554 5.010 7.574 4.074 18 20 [****************-+**] 1
553 1 26 ASN HA 1 27 PHE H . . 3.630 3.468 3.305 3.562 . 0 0 "[ . 1 . 2]" 1
554 1 26 ASN HA 1 28 LYS QB . . 3.500 4.585 3.914 5.500 2.000 8 19 "[*******+** ******-**]" 1
555 1 26 ASN HA 1 28 LYS QD . . 3.500 6.053 4.171 7.703 4.203 8 20 [*******+******-*****] 1
556 1 26 ASN HA 1 28 LYS QG . . 3.500 6.182 4.537 7.374 3.874 19 20 [***********-******+*] 1
557 1 26 ASN HA 1 29 LYS HA . . 3.500 5.730 5.503 5.910 2.410 13 20 [*****-******+*******] 1
558 1 26 ASN HA 1 29 LYS QB . . 3.500 3.226 3.107 3.497 . 0 0 "[ . 1 . 2]" 1
559 1 26 ASN HA 1 29 LYS QD . . 3.500 4.756 4.321 5.592 2.092 18 20 [**-**************+**] 1
560 1 26 ASN HA 1 29 LYS QE . . 3.500 6.271 5.314 6.783 3.283 15 20 [**************+**-**] 1
561 1 26 ASN HA 1 29 LYS QG . . 3.500 4.886 3.495 5.514 2.014 11 17 "[*******- 1+****** **]" 1
562 1 26 ASN HA 1 30 ALA MB . . 3.500 4.498 4.124 5.019 1.519 6 20 [*****+*-************] 1
563 1 26 ASN QB 1 27 PHE H . . 4.240 2.872 2.323 3.355 . 0 0 "[ . 1 . 2]" 1
564 1 26 ASN QB 1 27 PHE HA . . 3.500 3.924 3.814 4.138 0.638 4 4 "[ +. 1*- . * 2]" 1
565 1 26 ASN QB 1 27 PHE QB . . 3.500 4.238 3.780 4.826 1.326 11 15 "[******- **+**** * 2]" 1
566 1 26 ASN QB 1 28 LYS H . . 3.500 4.732 4.570 4.901 1.401 8 20 [*******+*-**********] 1
567 1 26 ASN QB 1 29 LYS QB . . 3.500 4.294 3.292 4.876 1.376 19 15 "[** ** **** **-** +*]" 1
568 1 26 ASN QB 1 29 LYS QD . . 3.500 5.897 4.654 6.838 3.338 9 20 [********+*-*********] 1
569 1 26 ASN QB 1 30 ALA H . . 3.500 4.300 3.569 5.003 1.503 4 17 "[***+****** -**** **]" 1
570 1 26 ASN QD 1 27 PHE H . . 3.500 5.079 4.702 5.287 1.787 18 20 [**************-**+**] 1
571 1 26 ASN QD 1 29 LYS QB . . 3.500 4.730 3.107 6.153 2.653 8 15 "[ ** . *+*1****-*****]" 1
572 1 26 ASN QD 1 29 LYS QD . . 3.500 5.729 3.632 7.980 4.480 8 19 "[ ******+*****-******]" 1
573 1 26 ASN QD 1 29 LYS QG . . 3.500 5.837 3.945 7.371 3.871 7 18 "[***** +* -**********]" 1
574 1 26 ASN QD 1 30 ALA MB . . 3.500 5.061 4.010 5.722 2.222 8 20 [-******+************] 1
575 1 27 PHE H 1 27 PHE QB . . 3.170 2.086 2.045 2.178 . 0 0 "[ . 1 . 2]" 1
576 1 27 PHE H 1 28 LYS H . . 3.250 2.744 2.572 2.873 . 0 0 "[ . 1 . 2]" 1
577 1 27 PHE H 1 28 LYS QD . . 3.500 5.083 4.198 5.716 2.216 15 20 [**********-***+*****] 1
578 1 27 PHE H 1 28 LYS QG . . 3.500 5.431 3.989 6.425 2.925 15 19 "[*********** **+*-***]" 1
579 1 27 PHE HA 1 28 LYS H . . 4.590 3.517 3.475 3.568 . 0 0 "[ . 1 . 2]" 1
580 1 27 PHE HA 1 28 LYS HA . . 3.500 4.807 4.759 4.848 1.348 1 20 [+*************-*****] 1
581 1 27 PHE HA 1 30 ALA H . . 3.740 3.680 3.357 3.760 0.020 8 0 "[ . 1 . 2]" 1
582 1 27 PHE HA 1 30 ALA MB . . 3.420 2.615 2.405 2.797 . 0 0 "[ . 1 . 2]" 1
583 1 27 PHE HA 1 31 LEU QB . . 3.500 4.320 3.939 5.928 2.428 20 18 "[********** -******+]" 1
584 1 27 PHE QB 1 28 LYS H . . 3.630 2.794 2.335 3.311 . 0 0 "[ . 1 . 2]" 1
585 1 27 PHE QB 1 28 LYS HA . . 3.500 4.058 3.637 4.712 1.212 15 6 "[ . -** + * *2]" 1
586 1 27 PHE QB 1 28 LYS QB . . 3.500 4.398 4.047 4.940 1.440 10 20 [*****-***+**********] 1
587 1 27 PHE QB 1 28 LYS QG . . 3.500 4.463 3.314 6.262 2.762 15 14 "[* ***** **- **+ **2]" 1
588 1 27 PHE QB 1 29 LYS H . . 3.500 5.066 4.632 5.502 2.002 10 20 [*********+*********-] 1
589 1 27 PHE QB 1 30 ALA MB . . 3.500 4.340 3.968 4.573 1.073 6 19 "[*****+** -**********]" 1
590 1 27 PHE QB 1 31 LEU QB . . 3.500 4.452 3.935 5.648 2.148 20 16 "[*-******** **** *+]" 1
591 1 27 PHE QB 1 31 LEU QD . . 3.500 4.531 3.611 5.468 1.968 8 19 [*******+*********-*2] 1
592 1 27 PHE QD 1 28 LYS H . . 4.770 3.948 2.798 4.618 . 0 0 "[ . 1 . 2]" 1
593 1 27 PHE QD 1 28 LYS QB . . 3.500 5.079 3.481 6.002 2.502 12 17 "[******** -*+**.*** *]" 1
594 1 27 PHE QD 1 28 LYS QE . . 3.500 5.964 4.620 8.042 4.542 6 20 [*****+**********-***] 1
595 1 27 PHE QD 1 29 LYS H . . 3.500 5.922 5.211 6.370 2.870 12 20 [***********+**-*****] 1
596 1 27 PHE QD 1 30 ALA H . . 3.500 5.596 4.735 5.796 2.296 5 20 [****+**************-] 1
597 1 27 PHE QD 1 31 LEU H . . 3.500 4.365 3.947 4.990 1.490 3 17 "[**+******** **** *-]" 1
598 1 27 PHE QD 1 31 LEU HA . . 3.500 5.273 4.588 5.851 2.351 1 20 [+***********-*******] 1
599 1 27 PHE QD 1 31 LEU QD . . 4.240 3.266 2.363 4.009 . 0 0 "[ . 1 . 2]" 1
600 1 27 PHE QE 1 28 LYS H . . 3.500 5.856 4.291 6.687 3.187 11 20 [**********+***-*****] 1
601 1 27 PHE QE 1 28 LYS HA . . 3.500 5.642 3.850 6.965 3.465 11 14 "[******* 1+**-.* * *]" 1
602 1 27 PHE QE 1 28 LYS QE . . 3.500 6.962 3.652 9.651 6.151 6 17 "[*****+* ******* *-*]" 1
603 1 27 PHE QE 1 31 LEU H . . 3.500 5.535 5.116 5.889 2.389 3 20 [**+****-************] 1
604 1 27 PHE QE 1 31 LEU HA . . 3.500 5.571 4.995 6.487 2.987 20 20 [************-******+] 1
605 1 27 PHE QE 1 31 LEU QB . . 3.500 3.832 3.320 5.875 2.375 20 4 "[* - .* 1 . +]" 1
606 1 27 PHE QE 1 31 LEU QD . . 3.940 2.960 1.962 3.473 . 0 0 "[ . 1 . 2]" 1
607 1 27 PHE HZ 1 31 LEU QB . . 3.500 5.478 4.633 8.071 4.571 20 20 [****************-**+] 1
608 1 27 PHE HZ 1 31 LEU QD . . 3.500 4.342 3.422 5.269 1.769 11 13 "[**-** * 1+***.* * *]" 1
609 1 28 LYS H 1 28 LYS QB . . 3.080 2.217 2.040 2.618 . 0 0 "[ . 1 . 2]" 1
610 1 28 LYS H 1 28 LYS QD . . 3.480 3.095 2.328 3.585 0.105 6 0 "[ . 1 . 2]" 1
611 1 28 LYS H 1 28 LYS QE . . 3.500 4.723 3.942 5.432 1.932 15 19 "[********** ***+****-]" 1
612 1 28 LYS H 1 28 LYS QG . . 3.810 3.147 1.935 4.016 0.206 6 0 "[ . 1 . 2]" 1
613 1 28 LYS H 1 29 LYS H . . 3.140 2.809 2.595 2.936 . 0 0 "[ . 1 . 2]" 1
614 1 28 LYS H 1 31 LEU QD . . 3.500 5.290 4.458 5.789 2.289 17 20 [****************+**-] 1
615 1 28 LYS HA 1 28 LYS QE . . 3.500 4.351 3.639 5.210 1.710 15 16 "[****** ****-*+ ***]" 1
616 1 28 LYS HA 1 28 LYS QG . . 3.570 2.418 2.015 3.110 . 0 0 "[ . 1 . 2]" 1
617 1 28 LYS HA 1 29 LYS H . . 4.060 3.564 3.548 3.570 . 0 0 "[ . 1 . 2]" 1
618 1 28 LYS HA 1 31 LEU H . . 3.990 3.820 3.613 3.993 0.003 12 0 "[ . 1 . 2]" 1
619 1 28 LYS HA 1 31 LEU QD . . 3.930 3.479 2.918 3.870 . 0 0 "[ . 1 . 2]" 1
620 1 28 LYS HA 1 32 LYS QE . . 3.500 5.706 4.105 6.746 3.246 9 20 [********+-**********] 1
621 1 28 LYS HA 1 32 LYS QG . . 3.500 4.551 3.635 5.480 1.980 7 18 "[******+*** -**.*****]" 1
622 1 28 LYS QB 1 29 LYS QE . . 3.500 5.888 4.390 7.581 4.081 15 20 [**************+**-**] 1
623 1 28 LYS QB 1 31 LEU QD . . 3.500 4.923 4.484 5.229 1.729 13 20 [*****-******+*******] 1
624 1 28 LYS QB 1 32 LYS QE . . 3.500 5.182 3.599 6.458 2.958 9 17 "[* -*****+1***** ****]" 1
625 1 28 LYS QB 1 32 LYS QG . . 3.500 4.544 3.806 5.381 1.881 7 18 "[******+*** -*******2]" 1
626 1 28 LYS QE 1 29 LYS HA . . 3.500 6.842 4.276 7.774 4.274 20 20 [**************-****+] 1
627 1 28 LYS QG 1 29 LYS QE . . 3.500 7.186 5.596 8.321 4.821 3 20 [**+**************-**] 1
628 1 29 LYS HA 1 29 LYS QE . . 3.500 4.172 3.643 4.821 1.321 5 11 "[- * +* ** * * ***2]" 1
629 1 29 LYS HA 1 32 LYS QE . . 3.500 5.940 5.106 6.612 3.112 9 20 [********+****-******] 1
630 1 29 LYS HA 1 32 LYS QG . . 3.500 4.433 3.955 4.990 1.490 7 17 "[******+ -* ********2]" 1
631 1 29 LYS HA 1 33 PHE QB . . 3.500 4.104 3.744 4.594 1.094 6 13 "[*****+** 1 - *.*** 2]" 1
632 1 29 LYS HA 1 33 PHE QD . . 3.500 5.708 4.074 6.280 2.780 3 20 [**+**-**************] 1
633 1 29 LYS QB 1 29 LYS QE . . 3.500 3.523 3.302 3.671 0.171 15 0 "[ . 1 . 2]" 1
634 1 29 LYS QB 1 33 PHE QB . . 3.500 4.219 3.463 4.884 1.384 6 15 "[*****+** 1 * **** *-]" 1
635 1 29 LYS QB 1 33 PHE QD . . 3.500 5.293 3.433 6.005 2.505 3 18 "[-*+** * ************]" 1
636 1 29 LYS QD 1 33 PHE HA . . 3.500 6.925 5.716 7.555 4.055 7 20 [******+*******-*****] 1
637 1 29 LYS QD 1 33 PHE QB . . 3.500 5.041 3.169 5.713 2.213 16 18 "[********-*****.+** *]" 1
638 1 29 LYS QD 1 33 PHE QD . . 3.500 5.818 3.881 6.873 3.373 17 19 [*****-********.*+***] 1
639 1 29 LYS QE 1 30 ALA HA . . 3.500 6.730 4.905 7.784 4.284 10 20 [*********+****-*****] 1
640 1 29 LYS QE 1 32 LYS QB . . 3.500 5.539 4.557 6.493 2.993 5 20 [****+**-************] 1
641 1 29 LYS QE 1 32 LYS QG . . 3.500 6.827 5.540 7.843 4.343 5 20 [****+**-************] 1
642 1 29 LYS QE 1 33 PHE H . . 3.500 6.238 5.307 7.352 3.852 18 20 [**************-**+**] 1
643 1 29 LYS QE 1 33 PHE QB . . 3.500 5.184 3.407 6.807 3.307 18 18 "[**-***********.**+ *]" 1
644 1 29 LYS QE 1 33 PHE QD . . 3.500 5.653 4.008 7.626 4.126 18 20 [*****-***********+**] 1
645 1 29 LYS QG 1 33 PHE QB . . 3.500 3.803 3.356 5.682 2.182 18 4 "[ . -** . + 2]" 1
646 1 30 ALA H 1 33 PHE QB . . 3.500 4.588 4.478 4.751 1.251 20 20 [***************-***+] 1
647 1 30 ALA H 1 33 PHE QD . . 3.500 5.981 4.626 6.419 2.919 14 20 [*****-*******+******] 1
648 1 30 ALA HA 1 34 GLY QA . . 3.500 5.002 4.549 5.441 1.941 8 20 [*******+**-*********] 1
649 1 30 ALA MB 1 33 PHE QB . . 3.500 4.176 3.947 4.466 0.966 11 18 "[***** ****+**** *-**]" 1
650 1 30 ALA MB 1 33 PHE QD . . 5.230 4.923 4.542 5.229 . 0 0 "[ . 1 . 2]" 1
651 1 30 ALA MB 1 34 GLY H . . 3.500 4.500 4.397 4.670 1.170 20 20 [****-**************+] 1
652 1 30 ALA MB 1 34 GLY QA . . 3.500 4.978 4.716 5.260 1.760 8 20 [*******+**-*********] 1
653 1 31 LEU H 1 32 LYS H . . 3.310 2.880 2.681 2.985 . 0 0 "[ . 1 . 2]" 1
654 1 31 LEU H 1 32 LYS QG . . 3.500 5.386 4.903 5.912 2.412 7 20 [******+***-*********] 1
655 1 31 LEU HA 1 31 LEU QD . . 3.360 2.142 2.019 2.317 . 0 0 "[ . 1 . 2]" 1
656 1 31 LEU HA 1 31 LEU HG . . 3.050 3.102 3.078 3.376 0.326 20 0 "[ . 1 . 2]" 1
657 1 31 LEU HA 1 35 LYS QE . . 3.500 7.126 5.922 8.235 4.735 14 20 [*************+*****-] 1
658 1 31 LEU QB 1 32 LYS H . . 3.730 2.158 2.139 2.251 . 0 0 "[ . 1 . 2]" 1
659 1 31 LEU QD 1 32 LYS H . . 3.500 3.534 3.480 3.752 0.252 20 0 "[ . 1 . 2]" 1
660 1 31 LEU QD 1 32 LYS QE . . 3.500 4.817 3.521 5.955 2.455 20 17 "[** *** **1*****-***+]" 1
661 1 31 LEU QD 1 32 LYS QG . . 3.500 3.789 3.575 4.655 1.155 20 2 "[ . - 1 . +]" 1
662 1 31 LEU QD 1 34 GLY H . . 3.500 5.069 4.892 5.183 1.683 7 20 [******+-************] 1
663 1 31 LEU QD 1 35 LYS H . . 3.500 4.210 3.844 5.268 1.768 20 18 "[-****** ******* ***+]" 1
664 1 31 LEU QD 1 35 LYS QE . . 3.500 4.419 3.551 5.580 2.080 14 15 "[** *-*** ** +*** **]" 1
665 1 31 LEU HG 1 32 LYS H . . 3.310 3.352 3.332 3.653 0.343 20 0 "[ . 1 . 2]" 1
666 1 31 LEU HG 1 35 LYS QE . . 3.500 5.292 4.220 7.623 4.123 20 20 [************-******+] 1
667 1 32 LYS H 1 32 LYS QE . . 3.500 4.955 4.108 5.347 1.847 4 20 [**-+****************] 1
668 1 32 LYS H 1 33 PHE H . . 3.190 2.906 2.854 2.998 . 0 0 "[ . 1 . 2]" 1
669 1 32 LYS H 1 33 PHE QB . . 3.500 4.592 4.500 4.681 1.181 11 20 [*****-****+*********] 1
670 1 32 LYS H 1 35 LYS H . . 3.500 4.754 4.694 4.831 1.331 6 20 [***-*+**************] 1
671 1 32 LYS H 1 35 LYS QG . . 3.500 6.146 4.559 6.800 3.300 10 20 [*********+**-*******] 1
672 1 32 LYS HA 1 32 LYS QB . . 2.720 2.504 2.458 2.517 . 0 0 "[ . 1 . 2]" 1
673 1 32 LYS HA 1 32 LYS QE . . 3.500 4.215 3.631 4.800 1.300 14 15 "[***** *- ** *+** **2]" 1
674 1 32 LYS HA 1 33 PHE HA . . 3.500 4.821 4.759 4.858 1.358 16 20 [***************+***-] 1
675 1 32 LYS HA 1 35 LYS H . . 3.940 3.730 3.569 3.871 . 0 0 "[ . 1 . 2]" 1
676 1 32 LYS HA 1 35 LYS QE . . 3.500 5.416 4.527 5.973 2.473 3 20 [**+**************-**] 1
677 1 32 LYS HA 1 36 GLN QB . . 3.500 4.571 4.274 4.726 1.226 6 20 [-****+**************] 1
678 1 32 LYS HA 1 36 GLN QG . . 3.500 5.498 5.057 5.797 2.297 11 20 [-*********+*********] 1
679 1 32 LYS QB 1 32 LYS QE . . 3.500 3.561 3.288 3.757 0.257 11 0 "[ . 1 . 2]" 1
680 1 32 LYS QB 1 33 PHE H . . 3.050 2.510 2.313 2.614 . 0 0 "[ . 1 . 2]" 1
681 1 32 LYS QB 1 33 PHE HA . . 3.500 3.743 3.696 3.773 0.273 20 0 "[ . 1 . 2]" 1
682 1 32 LYS QB 1 33 PHE QB . . 3.500 3.899 3.750 4.107 0.607 6 2 "[ .+ - 1 . 2]" 1
683 1 32 LYS QB 1 36 GLN QG . . 3.500 5.051 4.573 5.342 1.842 11 20 [-*********+*********] 1
684 1 32 LYS QD 1 33 PHE HA . . 3.500 5.504 5.069 6.255 2.755 7 20 [******+-************] 1
685 1 32 LYS QD 1 36 GLN QB . . 3.500 5.087 4.092 6.747 3.247 7 20 [******+-************] 1
686 1 32 LYS QD 1 36 GLN QG . . 3.500 5.144 4.003 6.932 3.432 10 20 [*******-*+**********] 1
687 1 32 LYS QE 1 33 PHE H . . 3.500 6.223 5.984 6.411 2.911 8 20 [**-****+************] 1
688 1 32 LYS QE 1 33 PHE HA . . 3.500 7.296 6.882 7.819 4.319 7 20 [***-**+*************] 1
689 1 32 LYS QE 1 35 LYS H . . 3.500 7.472 6.709 7.997 4.497 14 20 [*****-*******+******] 1
690 1 32 LYS QE 1 35 LYS QB . . 3.500 5.630 4.560 6.336 2.836 14 20 [*****-*******+******] 1
691 1 32 LYS QE 1 35 LYS QG . . 3.500 6.518 4.753 7.604 4.104 14 20 [*****-*******+******] 1
692 1 32 LYS QE 1 36 GLN H . . 3.500 6.945 6.177 7.590 4.090 14 20 [*******-*****+******] 1
693 1 32 LYS QE 1 36 GLN QB . . 3.500 6.449 5.769 7.479 3.979 7 20 [******+-************] 1
694 1 32 LYS QE 1 36 GLN QG . . 3.500 6.196 5.148 7.390 3.890 10 20 [*******-*+**********] 1
695 1 32 LYS QG 1 33 PHE H . . 5.500 4.300 4.106 4.384 . 0 0 "[ . 1 . 2]" 1
696 1 32 LYS QG 1 35 LYS QE . . 3.500 5.814 4.827 6.885 3.385 11 20 [**********+******-**] 1
697 1 32 LYS QG 1 36 GLN QG . . 3.500 5.708 4.592 6.679 3.179 11 20 [**********+****-****] 1
698 1 33 PHE H 1 33 PHE QB . . 3.550 2.200 2.054 2.258 . 0 0 "[ . 1 . 2]" 1
699 1 33 PHE H 1 33 PHE QD . . 3.500 4.044 3.498 4.179 0.679 15 17 "[-**** * ******+** **]" 1
700 1 33 PHE H 1 34 GLY H . . 3.350 2.954 2.793 3.030 . 0 0 "[ . 1 . 2]" 1
701 1 33 PHE H 1 36 GLN QB . . 3.500 5.026 4.858 5.196 1.696 18 20 [-****************+**] 1
702 1 33 PHE H 1 36 GLN QG . . 3.500 6.531 6.208 6.744 3.244 11 20 [-*********+*********] 1
703 1 33 PHE H 1 37 LEU QD . . 3.500 5.787 5.403 6.361 2.861 16 20 [*********-*****+****] 1
704 1 33 PHE HA 1 33 PHE QD . . 3.750 2.234 2.059 2.827 . 0 0 "[ . 1 . 2]" 1
705 1 33 PHE HA 1 34 GLY H . . 4.820 3.573 3.569 3.574 . 0 0 "[ . 1 . 2]" 1
706 1 33 PHE HA 1 34 GLY QA . . 3.500 4.485 4.456 4.503 1.003 10 20 [*********+*****-****] 1
707 1 33 PHE HA 1 35 LYS H . . 3.500 4.533 4.201 4.836 1.336 16 20 [***************+**-*] 1
708 1 33 PHE HA 1 36 GLN QB . . 3.500 3.303 3.162 3.496 . 0 0 "[ . 1 . 2]" 1
709 1 33 PHE HA 1 36 GLN QE . . 3.500 6.968 6.069 7.410 3.910 18 20 [***************-*+**] 1
710 1 33 PHE HA 1 36 GLN QG . . 3.500 4.999 4.852 5.190 1.690 8 20 [-******+************] 1
711 1 33 PHE HA 1 37 LEU QB . . 3.500 4.462 4.183 4.668 1.168 14 20 [*************+*****-] 1
712 1 33 PHE HA 1 37 LEU QD . . 3.500 3.978 3.475 4.792 1.292 15 8 "[ ** 1* +** -*]" 1
713 1 33 PHE QB 1 34 GLY H . . 3.730 2.187 2.075 2.324 . 0 0 "[ . 1 . 2]" 1
714 1 33 PHE QB 1 34 GLY QA . . 3.500 3.582 3.384 3.792 0.292 15 0 "[ . 1 . 2]" 1
715 1 33 PHE QB 1 35 LYS H . . 3.500 4.556 4.405 4.789 1.289 10 20 [*********+********-*] 1
716 1 33 PHE QB 1 36 GLN QG . . 3.500 6.552 6.403 6.780 3.280 8 20 [*******+******-*****] 1
717 1 33 PHE QB 1 37 LEU H . . 3.500 5.252 4.843 5.376 1.876 17 20 [*****-**********+***] 1
718 1 33 PHE QB 1 37 LEU QD . . 3.500 4.062 3.394 4.586 1.086 15 12 "[ -** 1** *+*****]" 1
719 1 33 PHE QB 1 37 LEU HG . . 3.500 6.149 4.470 7.314 3.814 17 20 [*******-********+***] 1
720 1 33 PHE QD 1 34 GLY H . . 3.500 3.719 3.500 4.338 0.838 6 2 "[ .+ - 1 . 2]" 1
721 1 33 PHE QD 1 36 GLN QB . . 3.500 4.224 3.767 4.801 1.301 16 14 "[********-1 * *.+ **2]" 1
722 1 33 PHE QD 1 36 GLN QG . . 3.500 5.825 5.492 6.549 3.049 16 20 [*********-*****+****] 1
723 1 33 PHE QD 1 37 LEU H . . 3.500 4.850 3.913 5.326 1.826 2 19 "[ +*************-****]" 1
724 1 33 PHE QD 1 37 LEU QB . . 3.500 4.121 2.781 4.600 1.100 18 14 "[ ***-***** ***. +*2]" 1
725 1 33 PHE QD 1 37 LEU QD . . 3.500 3.021 1.974 3.420 . 0 0 "[ . 1 . 2]" 1
726 1 33 PHE QE 1 36 GLN QG . . 3.500 6.855 6.448 7.477 3.977 16 20 [************-**+****] 1
727 1 33 PHE QE 1 37 LEU QD . . 3.480 2.675 2.063 3.450 . 0 0 "[ . 1 . 2]" 1
728 1 34 GLY H 1 34 GLY QA . . 2.800 2.192 2.190 2.197 . 0 0 "[ . 1 . 2]" 1
729 1 34 GLY H 1 35 LYS H . . 3.640 2.836 2.733 2.944 . 0 0 "[ . 1 . 2]" 1
730 1 34 GLY H 1 35 LYS QB . . 3.500 4.542 4.454 4.731 1.231 13 20 [************+**-****] 1
731 1 34 GLY H 1 35 LYS QG . . 3.500 6.133 4.764 6.502 3.002 6 20 [*****+******-*******] 1
732 1 34 GLY H 1 36 GLN H . . 3.500 4.675 4.590 4.811 1.311 19 20 [***-**************+*] 1
733 1 34 GLY H 1 36 GLN QB . . 3.500 5.395 5.264 5.500 2.000 19 20 [-*****************+*] 1
734 1 34 GLY H 1 36 GLN QG . . 3.500 7.230 7.023 7.413 3.913 11 20 [-*********+*********] 1
735 1 34 GLY H 1 37 LEU QB . . 3.500 4.357 4.149 4.519 1.019 1 20 [+******-************] 1
736 1 34 GLY H 1 37 LEU QD . . 3.500 4.636 4.458 4.936 1.436 16 20 [*********-*****+****] 1
737 1 34 GLY QA 1 35 LYS H . . 3.550 2.689 2.599 2.775 . 0 0 "[ . 1 . 2]" 1
738 1 34 GLY QA 1 35 LYS QB . . 3.500 4.295 4.213 4.518 1.018 13 20 [*********-**+*******] 1
739 1 34 GLY QA 1 35 LYS QG . . 3.500 5.240 4.154 5.601 2.101 6 20 [*****+******-*******] 1
740 1 34 GLY QA 1 36 GLN QB . . 3.500 5.134 5.033 5.301 1.801 11 20 [-*********+*********] 1
741 1 34 GLY QA 1 36 GLN QG . . 3.500 6.795 6.645 6.972 3.472 11 20 [**********+**-******] 1
742 1 34 GLY QA 1 37 LEU H . . 4.380 3.430 3.295 3.587 . 0 0 "[ . 1 . 2]" 1
743 1 34 GLY QA 1 37 LEU QB . . 3.910 2.384 2.074 2.650 . 0 0 "[ . 1 . 2]" 1
744 1 34 GLY QA 1 37 LEU QD . . 3.500 3.322 3.034 3.491 . 0 0 "[ . 1 . 2]" 1
745 1 34 GLY QA 1 38 ALA H . . 4.910 3.790 3.578 3.971 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLY QA 1 38 ALA MB . . 3.500 4.171 3.906 4.439 0.939 8 19 "[***** *+****-*******]" 1
747 1 35 LYS H 1 35 LYS QB . . 2.870 2.159 2.052 2.314 . 0 0 "[ . 1 . 2]" 1
748 1 35 LYS H 1 35 LYS QD . . 5.210 4.224 3.793 4.627 . 0 0 "[ . 1 . 2]" 1
749 1 35 LYS H 1 35 LYS QE . . 3.500 5.695 4.982 6.001 2.501 14 20 [************-+******] 1
750 1 35 LYS H 1 35 LYS QG . . 4.900 3.681 2.439 4.005 . 0 0 "[ . 1 . 2]" 1
751 1 35 LYS H 1 36 GLN H . . 3.320 2.908 2.788 3.025 . 0 0 "[ . 1 . 2]" 1
752 1 35 LYS H 1 36 GLN QB . . 3.500 4.546 4.404 4.688 1.188 8 20 [*******+**********-*] 1
753 1 35 LYS H 1 36 GLN QG . . 3.500 6.051 5.870 6.289 2.789 8 20 [******-+************] 1
754 1 35 LYS H 1 37 LEU QD . . 3.500 5.377 5.217 5.582 2.082 16 20 [********-******+****] 1
755 1 35 LYS HA 1 35 LYS QE . . 3.500 4.456 3.763 4.808 1.308 5 19 "[****+-****** *******]" 1
756 1 35 LYS HA 1 39 LYS H . . 3.500 4.128 4.008 4.317 0.817 16 20 [*******-*******+****] 1
757 1 35 LYS QB 1 35 LYS QE . . 3.500 3.377 2.540 3.691 0.191 3 0 "[ . 1 . 2]" 1
758 1 35 LYS QB 1 36 GLN QB . . 3.500 3.686 3.599 3.798 0.298 16 0 "[ . 1 . 2]" 1
759 1 35 LYS QB 1 36 GLN QG . . 3.500 4.374 4.048 4.667 1.167 19 20 [******-***********+*] 1
760 1 35 LYS QB 1 39 LYS H . . 3.500 5.112 4.838 5.329 1.829 19 20 [*****************-+*] 1
761 1 35 LYS QD 1 36 GLN QG . . 3.500 5.549 3.696 6.689 3.189 13 18 "[*** ********+ **-***]" 1
762 1 35 LYS QE 1 36 GLN H . . 3.500 5.520 4.690 6.224 2.724 3 20 [**+************-****] 1
763 1 35 LYS QE 1 36 GLN HA . . 3.500 5.731 4.410 7.115 3.615 20 20 [***************-***+] 1
764 1 35 LYS QE 1 38 ALA H . . 3.500 7.279 6.567 7.857 4.357 9 20 [********+******-****] 1
765 1 35 LYS QE 1 39 LYS H . . 3.500 6.369 5.414 7.232 3.732 20 20 [*************-*****+] 1
766 1 35 LYS QE 1 39 LYS HA . . 3.500 6.501 5.337 7.497 3.997 12 20 [***********+****-***] 1
767 1 35 LYS QE 1 39 LYS QB . . 3.500 5.185 3.813 6.927 3.427 20 19 "[************* *-***+]" 1
768 1 35 LYS QG 1 36 GLN QB . . 3.500 5.091 4.190 5.661 2.161 18 20 [*****************+-*] 1
769 1 35 LYS QG 1 36 GLN QG . . 3.500 5.277 4.248 6.362 2.862 20 20 [******************-+] 1
770 1 35 LYS QG 1 39 LYS H . . 3.500 4.821 4.272 6.228 2.728 13 20 [************+*****-*] 1
771 1 36 GLN H 1 36 GLN QB . . 3.140 2.056 2.042 2.109 . 0 0 "[ . 1 . 2]" 1
772 1 36 GLN H 1 36 GLN QG . . 3.970 3.518 3.320 3.642 . 0 0 "[ . 1 . 2]" 1
773 1 36 GLN H 1 37 LEU QD . . 3.500 4.966 4.463 5.599 2.099 16 20 [***************+*-**] 1
774 1 36 GLN HA 1 36 GLN QE . . 3.500 3.626 2.039 4.070 0.570 20 4 "[ . *1* -. +]" 1
775 1 36 GLN HA 1 40 ASN QB . . 3.500 5.525 4.373 6.519 3.019 17 20 [****************+-**] 1
776 1 36 GLN HA 1 40 ASN QD . . 3.500 4.544 3.668 5.992 2.492 7 16 "[***-* + ***** * ****]" 1
777 1 36 GLN QB 1 36 GLN QE . . 3.500 3.566 3.141 3.704 0.204 8 0 "[ . 1 . 2]" 1
778 1 36 GLN QB 1 37 LEU H . . 3.850 2.851 2.562 2.975 . 0 0 "[ . 1 . 2]" 1
779 1 36 GLN QB 1 37 LEU QD . . 3.500 3.869 3.340 4.708 1.208 16 8 "[ ** 1* *+* -*]" 1
780 1 36 GLN QB 1 37 LEU HG . . 3.500 5.758 5.035 6.035 2.535 3 20 [-*+*****************] 1
781 1 36 GLN QB 1 39 LYS QG . . 3.500 5.289 4.339 6.041 2.541 9 20 [********+*****-*****] 1
782 1 36 GLN QB 1 40 ASN QB . . 3.500 5.515 4.298 6.587 3.087 17 20 [****************+-**] 1
783 1 36 GLN QB 1 40 ASN QD . . 3.500 4.556 3.348 6.367 2.867 7 15 "[**- * + ***** * ****]" 1
784 1 36 GLN QE 1 37 LEU QD . . 3.500 6.075 4.821 6.841 3.341 4 20 [*-*+****************] 1
785 1 36 GLN QE 1 39 LYS QD . . 3.500 5.026 3.233 6.077 2.577 13 19 "[-* *********+*******]" 1
786 1 36 GLN QE 1 39 LYS QG . . 3.500 4.762 3.493 6.392 2.892 11 16 "[* **-***+**** ****]" 1
787 1 36 GLN QE 1 40 ASN QB . . 3.500 5.549 3.832 7.201 3.701 8 19 "[* *****+*********-**]" 1
788 1 36 GLN QE 1 40 ASN QD . . 3.500 3.933 2.966 7.185 3.685 7 6 "[ * +* 1 .*- *]" 1
789 1 36 GLN QG 1 37 LEU H . . 3.500 4.581 4.445 4.690 1.190 8 20 [-******+************] 1
790 1 36 GLN QG 1 37 LEU QB . . 3.500 5.863 5.702 6.014 2.514 8 20 [*******+***********-] 1
791 1 36 GLN QG 1 37 LEU QD . . 3.500 5.455 4.946 6.147 2.647 15 20 [************-*+*****] 1
792 1 36 GLN QG 1 37 LEU HG . . 3.500 7.681 7.009 8.075 4.575 3 20 [-*+*****************] 1
793 1 36 GLN QG 1 38 ALA H . . 3.500 6.263 5.976 6.553 3.053 13 20 [-***********+*******] 1
794 1 36 GLN QG 1 39 LYS QB . . 3.500 3.615 3.430 3.833 0.333 13 0 "[ . 1 . 2]" 1
795 1 36 GLN QG 1 39 LYS QD . . 3.500 4.670 3.789 6.026 2.526 7 16 "[** *.*+*-* ********2]" 1
796 1 36 GLN QG 1 39 LYS QG . . 3.500 4.356 3.613 5.064 1.564 11 16 "[-**** ***1+***.* ***]" 1
797 1 36 GLN QG 1 40 ASN QD . . 3.500 4.688 3.472 7.287 3.787 7 16 "[******+ *-** * ****]" 1
798 1 37 LEU H 1 40 ASN QB . . 3.500 5.640 4.744 7.127 3.627 6 20 [*****+*******-******] 1
799 1 37 LEU HA 1 37 LEU QD . . 3.120 2.382 1.877 2.946 . 0 0 "[ . 1 . 2]" 1
800 1 37 LEU HA 1 40 ASN QB . . 3.500 3.683 2.783 5.730 2.230 6 5 "[* *+ 1 . - *]" 1
801 1 37 LEU HA 1 40 ASN QD . . 3.500 4.011 2.199 5.805 2.305 18 11 "[ * . *******-* + 2]" 1
802 1 37 LEU QB 1 40 ASN QB . . 3.500 5.199 4.473 6.940 3.440 6 20 [*****+*******-******] 1
803 1 37 LEU QB 1 40 ASN QD . . 3.500 5.575 4.152 6.916 3.416 2 20 [*+**-***************] 1
804 1 37 LEU QD 1 38 ALA H . . 3.500 3.717 3.406 4.079 0.579 1 1 "[+ . 1 . 2]" 1
805 1 37 LEU QD 1 40 ASN H . . 3.500 4.818 4.295 5.432 1.932 1 20 [+***********-*******] 1
806 1 37 LEU QD 1 40 ASN QB . . 3.500 4.245 3.347 5.843 2.343 5 11 "[* *+* 1* ***-**]" 1
807 1 37 LEU QD 1 40 ASN QD . . 3.500 4.721 3.323 5.855 2.355 18 17 "[** *.*-**********+*2]" 1
808 1 37 LEU QD 1 41 LEU H . . 3.500 5.205 4.213 6.064 2.564 1 20 [+-******************] 1
809 1 37 LEU QD 1 41 LEU QB . . 3.500 5.268 4.154 7.576 4.076 1 20 [+**************-****] 1
810 1 37 LEU HG 1 40 ASN QB . . 3.500 5.781 4.108 8.766 5.266 6 20 [*****+****-*********] 1
811 1 38 ALA H 1 39 LYS H . . 3.310 2.539 2.302 2.744 . 0 0 "[ . 1 . 2]" 1
812 1 38 ALA H 1 40 ASN QB . . 3.500 5.322 4.626 6.838 3.338 6 20 [*****+*******-******] 1
813 1 38 ALA H 1 40 ASN QD . . 3.500 5.738 4.319 6.660 3.160 2 20 [*+****-*************] 1
814 1 38 ALA H 1 41 LEU H . . 3.500 5.205 4.574 5.922 2.422 7 20 [*-****+*************] 1
815 1 38 ALA H 1 41 LEU QB . . 3.500 5.793 4.577 7.153 3.653 9 20 [********+********-**] 1
816 1 38 ALA H 1 41 LEU QD . . 3.500 5.814 4.448 7.146 3.646 7 20 [******+*****-*******] 1
817 1 38 ALA HA 1 39 LYS H . . 4.030 3.486 3.403 3.554 . 0 0 "[ . 1 . 2]" 1
818 1 38 ALA HA 1 40 ASN QB . . 3.500 4.805 4.117 6.257 2.757 6 20 [*****+**********-***] 1
819 1 38 ALA HA 1 40 ASN QD . . 3.500 5.882 2.708 6.668 3.168 11 19 "[****-* ***+*********]" 1
820 1 38 ALA HA 1 41 LEU H . . 4.440 3.343 2.746 4.315 . 0 0 "[ . 1 . 2]" 1
821 1 38 ALA MB 1 40 ASN QD . . 3.500 6.023 3.980 6.564 3.064 11 19 "[****-* ***+*********]" 1
822 1 38 ALA MB 1 41 LEU H . . 5.500 4.397 4.068 4.965 . 0 0 "[ . 1 . 2]" 1
823 1 39 LYS H 1 39 LYS QB . . 2.930 2.145 2.040 2.362 . 0 0 "[ . 1 . 2]" 1
824 1 39 LYS H 1 39 LYS QD . . 5.160 4.309 3.445 4.822 . 0 0 "[ . 1 . 2]" 1
825 1 39 LYS H 1 40 ASN H . . 3.220 2.670 2.461 2.734 . 0 0 "[ . 1 . 2]" 1
826 1 39 LYS H 1 40 ASN QB . . 3.500 4.534 4.218 5.379 1.879 5 20 [****+*****-*********] 1
827 1 39 LYS HA 1 40 ASN HA . . 3.500 4.736 4.520 4.893 1.393 7 20 [*****-+*************] 1
828 1 39 LYS HA 1 40 ASN QD . . 3.500 5.251 4.113 6.000 2.500 3 20 [**+**************-**] 1
829 1 39 LYS HA 1 41 LEU H . . 4.670 4.192 3.549 4.665 . 0 0 "[ . 1 . 2]" 1
830 1 39 LYS QB 1 40 ASN HA . . 3.500 3.980 3.790 4.290 0.790 6 9 "[ * **+* 1 ** . *-2]" 1
831 1 39 LYS QB 1 40 ASN QB . . 3.500 4.175 3.435 4.735 1.235 1 16 "[+ *** ******-**** *2]" 1
832 1 39 LYS QB 1 40 ASN QD . . 3.500 3.468 2.497 4.735 1.235 7 4 "[ * * + 1 . -]" 1
833 1 39 LYS QD 1 40 ASN HA . . 3.500 5.649 4.320 6.571 3.071 2 20 [*+***********-******] 1
834 1 39 LYS QD 1 40 ASN QB . . 3.500 6.151 4.410 6.746 3.246 19 20 [*****-************+*] 1
835 1 39 LYS QD 1 40 ASN QD . . 3.500 5.408 4.093 6.422 2.922 5 20 [****+************-**] 1
836 1 39 LYS QD 1 41 LEU H . . 3.500 6.391 5.072 7.044 3.544 10 20 [******-**+**********] 1
837 1 39 LYS QG 1 40 ASN HA . . 3.500 5.181 3.966 5.954 2.454 6 19 "[*** *+************-*]" 1
838 1 39 LYS QG 1 40 ASN QB . . 3.500 5.613 4.887 6.352 2.852 1 20 [+***-***************] 1
839 1 39 LYS QG 1 40 ASN QD . . 3.500 5.028 3.655 5.962 2.462 3 19 "[* +********-********]" 1
840 1 40 ASN H 1 40 ASN QB . . 3.380 2.268 2.046 3.139 . 0 0 "[ . 1 . 2]" 1
841 1 40 ASN H 1 40 ASN QD . . 3.100 2.808 2.055 3.058 . 0 0 "[ . 1 . 2]" 1
842 1 40 ASN H 1 41 LEU QD . . 3.500 5.130 4.200 5.673 2.173 8 20 [*******+**********-*] 1
843 1 40 ASN HA 1 41 LEU QB . . 3.500 4.865 3.779 5.268 1.768 17 19 "[*-*** **********+***]" 1
844 1 40 ASN HA 1 41 LEU QD . . 3.500 5.500 4.622 5.965 2.465 14 20 [*************+****-*] 1
845 1 40 ASN HA 1 41 LEU HG . . 3.500 6.789 5.697 7.314 3.814 12 20 [***********+***-****] 1
846 1 40 ASN QB 1 41 LEU H . . 5.100 3.029 2.443 4.047 . 0 0 "[ . 1 . 2]" 1
847 1 40 ASN QB 1 41 LEU HA . . 3.500 4.165 3.746 5.551 2.051 6 10 "[** *+* *1 * .- * *]" 1
848 1 40 ASN QB 1 41 LEU QB . . 3.500 4.229 3.599 5.048 1.548 5 13 "[** +** *1 *** **-*]" 1
849 1 40 ASN QB 1 41 LEU QD . . 3.500 4.618 2.730 5.732 2.232 5 16 "[** *+****1***** -* *]" 1
850 1 40 ASN QB 1 41 LEU HG . . 3.500 5.761 3.902 6.987 3.487 20 19 "[*************** -**+]" 1
851 1 40 ASN QD 1 41 LEU HA . . 3.500 6.051 3.623 6.685 3.185 9 18 "[****.* *+**********-]" 1
852 1 40 ASN QD 1 41 LEU QB . . 3.500 5.754 3.122 6.265 2.765 19 19 "[****-* ***********+*]" 1
853 1 40 ASN QD 1 41 LEU QD . . 3.500 6.049 4.190 6.859 3.359 15 20 [******-*******+*****] 1
854 1 40 ASN QD 1 41 LEU HG . . 3.500 7.687 5.475 8.756 5.256 3 20 [**+***-*************] 1
855 1 41 LEU H 1 41 LEU QB . . 2.850 2.339 2.036 2.827 . 0 0 "[ . 1 . 2]" 1
856 1 41 LEU HA 1 41 LEU QD . . 3.500 2.610 2.126 3.161 . 0 0 "[ . 1 . 2]" 1
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