Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573774 | 2mks RC | 19792 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mks
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 489
_Distance_constraint_stats_list.Viol_count 4936
_Distance_constraint_stats_list.Viol_total 377193.000
_Distance_constraint_stats_list.Viol_max 18.792
_Distance_constraint_stats_list.Viol_rms 3.4908
_Distance_constraint_stats_list.Viol_average_all_restraints 1.9284
_Distance_constraint_stats_list.Viol_average_violations_only 3.8208
_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 5 GLU 320.427 16.868 2 20 [*+***************-**]
1 6 ALA 424.717 16.979 6 20 [*****+********-*****]
1 7 ASP 107.718 3.810 17 20 [**-*************+***]
1 8 ARG 1596.091 18.792 20 20 [-******************+]
1 9 PRO 750.365 8.092 18 20 [-****************+**]
1 10 GLY 78.606 3.810 17 20 [***-************+***]
1 11 LYS 543.018 15.500 19 20 [******************+*]
1 12 LEU 1776.294 10.983 12 20 [***********+******-*]
1 13 PHE 416.927 8.092 18 20 [*****************+-*]
1 14 ILE 207.307 5.259 19 20 [-*****************+*]
1 15 GLY 92.824 2.353 2 20 [*+**********-*******]
1 16 GLY 356.139 9.899 5 20 [****+*-*************]
1 17 LEU 227.110 5.648 12 20 [***********+*****-**]
1 18 ASN 539.768 10.983 12 20 [***********+****-***]
1 19 THR 472.797 6.622 18 20 [*****************+**]
1 20 GLU 298.818 5.515 4 20 [***+************-***]
1 21 THR 714.304 15.500 19 20 [***************-**+*]
1 22 ASN 893.796 18.792 20 20 [***************-***+]
1 23 GLU 398.916 6.622 18 20 [***************-*+**]
1 24 LYS 98.582 5.008 15 20 [*****-********+*****]
1 25 ALA 884.788 17.803 19 20 [**-***************+*]
1 26 LEU 1.490 0.356 8 0 "[ . 1 . 2]"
1 27 GLU 60.342 3.554 4 20 [-**+****************]
1 28 ALA 73.575 4.071 8 20 [*******+**-*********]
1 29 VAL 623.696 16.979 6 20 [**-**+**************]
1 30 PHE 50.601 1.447 14 20 [****-********+******]
1 31 GLY 15.785 1.064 1 18 "[+-****** *** *******]"
1 32 LYS 129.228 3.554 4 20 [***+-***************]
1 33 TYR 93.525 4.071 8 20 [*******+******-*****]
1 34 GLY 100.483 5.595 4 20 [***+**********-*****]
1 35 ARG 56.518 2.200 12 20 [-**********+********]
1 36 ILE 17.922 1.379 3 15 "[**+*.*** 1 -****** *]"
1 37 VAL 400.699 14.554 14 20 [********-****+******]
1 38 GLU 760.258 16.534 20 20 [****************-**+]
1 39 VAL 140.715 7.634 20 20 [-******************+]
1 40 LEU 99.945 5.577 8 20 [*******+**-*********]
1 41 LEU 509.122 8.375 1 20 [+*********-*********]
1 42 MET 1595.756 13.733 11 20 [********-*+*********]
1 43 LYS 389.727 5.577 8 20 [*******+-***********]
1 44 ASP 518.557 7.201 18 20 [*****************+*-]
1 45 ARG 596.187 8.375 1 20 [+********-**********]
1 46 GLU 527.436 12.234 14 20 [*************+**-***]
1 47 THR 70.814 2.398 1 20 [+******-************]
1 48 ASN 28.479 1.049 2 17 "[ +***** -**********]"
1 49 LYS 2213.976 17.139 1 20 [+***-***************]
1 50 SER 180.811 4.341 11 20 [****-*****+*********]
1 51 ARG 190.553 5.545 19 20 [*****************-+*]
1 52 GLY 70.870 2.459 15 19 "[********-*****+** **]"
1 53 PHE 371.668 6.206 14 20 [********-****+******]
1 54 ALA 1786.448 12.234 14 20 [****-********+******]
1 55 PHE 161.447 5.545 19 20 [****-*************+*]
1 56 VAL 564.568 6.390 1 20 [+*******************]
1 57 THR 2902.951 17.946 12 20 [********-**+********]
1 58 PHE 329.404 9.190 19 20 [*****************-+*]
1 59 GLU 382.728 6.390 1 20 [+***********-*******]
1 60 SER 210.857 4.983 20 20 [-******************+]
1 61 PRO 1139.797 16.044 6 20 [*****+***********-**]
1 62 ALA 222.712 11.870 10 20 [*********+***-******]
1 63 ASP 41.100 1.581 16 20 [-**************+****]
1 64 ALA 26.227 1.009 20 20 [**************-****+]
1 65 LYS 61.686 1.236 3 20 [**+***********-*****]
1 66 ASP 20.464 0.843 19 20 [****************-*+*]
1 67 ALA 14.995 1.236 3 17 "[ *+********** ***-*2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 7.755 0.415 14 0 "[ . 1 . 2]"
1 70 ASP 7.807 0.415 14 0 "[ . 1 . 2]"
1 71 MET 112.177 2.313 20 20 [********-**********+]
1 72 ASN 433.479 14.554 14 20 [********-****+******]
1 73 GLY 435.767 16.534 20 20 [*************-*****+]
1 74 LYS 592.593 7.528 14 20 [*************+******]
1 75 SER 276.227 6.725 9 20 [********+********-**]
1 76 LEU 1938.826 16.044 6 20 [*****+**********-***]
1 77 ASP 1053.173 13.733 11 20 [*****-****+*********]
1 78 GLY 169.016 5.604 14 20 [*************+***-**]
1 79 LYS 109.685 5.475 5 20 [****+***********-***]
1 80 ALA 2162.260 17.946 12 20 [*********-*+********]
1 81 ILE 178.617 4.167 10 20 [*********+****-*****]
1 82 LYS 469.464 7.264 1 20 [+*************-*****]
1 83 VAL 351.437 8.943 4 20 [***+***********-****]
1 84 GLU 26.714 1.122 10 20 [*****-***+**********]
1 85 GLN 378.624 7.264 1 20 [+*****-*************]
1 86 ALA 9.608 0.875 9 8 "[ *. *+* **- *2]"
1 87 THR 8.730 0.875 9 8 "[ *. *+* **- *2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLU H 1 6 ALA H . . 5.370 3.301 2.019 3.790 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLU HA 1 6 ALA H . . 3.120 2.576 2.110 3.119 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLU QB 1 6 ALA H . . 3.640 3.799 3.357 4.051 0.411 14 0 "[ . 1 . 2]" 1
4 1 5 GLU QB 1 7 ASP H . . 4.260 5.461 3.574 6.811 2.551 4 15 "[ **+*****1 ******- 2]" 1
5 1 5 GLU QB 1 29 VAL QG . . 4.230 18.822 13.816 21.098 16.868 2 20 [*+*****************-] 1
6 1 6 ALA H 1 6 ALA MB . . 3.140 2.511 2.207 2.988 . 0 0 "[ . 1 . 2]" 1
7 1 6 ALA H 1 7 ASP H . . 3.550 3.853 2.149 4.705 1.155 9 11 "[ *-*** +1 ***.** 2]" 1
8 1 6 ALA H 1 7 ASP QB . . 5.500 4.674 3.370 6.355 0.855 9 1 "[ . +1 . 2]" 1
9 1 6 ALA H 1 8 ARG H . . 5.210 6.371 4.179 7.786 2.576 9 14 "[****** *+1* *-* **2]" 1
10 1 6 ALA H 1 29 VAL QG . . 5.500 19.440 15.746 22.479 16.979 6 20 [**-**+**************] 1
11 1 6 ALA HA 1 7 ASP H . . 3.470 2.444 2.065 2.963 . 0 0 "[ . 1 . 2]" 1
12 1 6 ALA HA 1 8 ARG H . . 4.560 5.408 3.605 6.739 2.179 4 12 "[***+** -*1* .* **2]" 1
13 1 6 ALA HA 1 9 PRO QB . . 5.020 9.390 6.902 11.003 5.983 9 20 [********+**********-] 1
14 1 6 ALA MB 1 7 ASP H . . 4.370 3.141 2.062 3.776 . 0 0 "[ . 1 . 2]" 1
15 1 7 ASP H 1 7 ASP QB . . 3.080 2.641 2.069 3.018 . 0 0 "[ . 1 . 2]" 1
16 1 7 ASP H 1 8 ARG H . . 3.270 3.844 2.732 4.612 1.342 18 13 "[******-**1* .* +*2]" 1
17 1 7 ASP HA 1 10 GLY H . . 3.980 6.824 6.041 7.790 3.810 17 20 [*-**************+***] 1
18 1 7 ASP QB 1 8 ARG H . . 3.790 3.670 2.543 4.116 0.326 12 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 8 ARG QB . . 3.220 2.990 2.322 3.240 0.020 14 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 8 ARG QD . . 4.830 4.431 2.048 5.409 0.579 12 1 "[ . 1 + . 2]" 1
21 1 8 ARG H 1 9 PRO QB . . 4.880 5.249 4.126 6.272 1.392 14 12 "[ ** * *** +.*-***]" 1
22 1 8 ARG H 1 10 GLY H . . 3.970 4.657 3.869 5.481 1.511 20 11 "[* -.** 1***** * +]" 1
23 1 8 ARG H 1 11 LYS H . . 5.500 6.637 5.205 8.171 2.671 15 15 "[* -*.*** *** *+* ***]" 1
24 1 8 ARG HA 1 8 ARG QD . . 3.850 4.013 3.416 4.400 0.550 9 1 "[ . +1 . 2]" 1
25 1 8 ARG HA 1 11 LYS H . . 4.760 5.720 3.323 7.442 2.682 15 14 "[****.* * -* *+* ***]" 1
26 1 8 ARG HA 1 11 LYS QB . . 4.160 6.333 3.201 8.309 4.149 11 16 "[****-* ***+ *** ***]" 1
27 1 8 ARG HA 1 12 LEU QD . . 5.300 8.091 6.220 9.372 4.072 8 20 [******-+************] 1
28 1 8 ARG HA 1 25 ALA MB . . 4.620 21.014 19.484 22.423 17.803 19 20 [***********-******+*] 1
29 1 8 ARG QB 1 9 PRO QB . . 5.130 5.199 4.657 5.675 0.545 7 4 "[- . + 1 * * 2]" 1
30 1 8 ARG QB 1 25 ALA MB . . 4.720 18.206 16.278 19.521 14.801 11 20 [**-*******+*********] 1
31 1 8 ARG QD 1 9 PRO HA . . 5.330 5.991 4.586 6.983 1.653 16 10 "[ *** * 1 - *.+ ***]" 1
32 1 8 ARG QD 1 12 LEU H . . 4.150 8.060 4.807 10.892 6.742 8 20 [*******+-***********] 1
33 1 8 ARG QD 1 12 LEU QD . . 3.500 6.363 3.042 9.031 5.531 20 19 "[******** *********-+]" 1
34 1 8 ARG QD 1 22 ASN HA . . 4.530 20.928 17.010 23.322 18.792 20 20 [***-***************+] 1
35 1 8 ARG QD 1 25 ALA MB . . 3.800 17.631 14.454 19.336 15.536 20 20 [***-***************+] 1
36 1 9 PRO HA 1 9 PRO QG . . 3.690 3.522 3.478 3.566 . 0 0 "[ . 1 . 2]" 1
37 1 9 PRO HA 1 11 LYS H . . 5.260 4.110 3.102 4.858 . 0 0 "[ . 1 . 2]" 1
38 1 9 PRO HA 1 12 LEU H . . 3.870 8.293 7.082 9.208 5.338 19 20 [******************+-] 1
39 1 9 PRO HA 1 12 LEU QB . . 3.690 9.124 7.626 10.081 6.391 19 20 [**********-*******+*] 1
40 1 9 PRO HA 1 12 LEU QD . . 3.690 7.099 4.756 8.382 4.692 18 20 [**********-******+**] 1
41 1 9 PRO HA 1 12 LEU HG . . 4.220 9.566 7.010 11.932 7.712 5 20 [****+*****-*********] 1
42 1 9 PRO HA 1 13 PHE H . . 4.620 11.488 8.838 12.712 8.092 18 20 [*****************+*-] 1
43 1 9 PRO QB 1 10 GLY H . . 3.550 3.941 3.848 3.993 0.443 2 0 "[ . 1 . 2]" 1
44 1 9 PRO QG 1 13 PHE H . . 4.810 10.576 8.584 12.570 7.760 4 20 [***+******-*********] 1
45 1 11 LYS H 1 11 LYS QB . . 3.480 2.368 2.121 2.702 . 0 0 "[ . 1 . 2]" 1
46 1 11 LYS H 1 13 PHE H . . 4.850 7.846 7.095 8.397 3.547 18 20 [*****************+*-] 1
47 1 11 LYS HA 1 14 ILE H . . 3.870 8.763 8.485 9.129 5.259 19 20 [-*****************+*] 1
48 1 11 LYS QB 1 12 LEU H . . 3.220 3.095 2.575 3.809 0.589 1 1 "[+ . 1 . 2]" 1
49 1 11 LYS QB 1 12 LEU QD . . 5.500 4.587 4.179 5.461 . 0 0 "[ . 1 . 2]" 1
50 1 11 LYS QB 1 13 PHE H . . 5.500 5.982 5.406 6.674 1.174 18 8 "[** . ***1 * . +-2]" 1
51 1 11 LYS QB 1 21 THR HA . . 4.300 18.401 17.130 19.800 15.500 19 20 [**-***************+*] 1
52 1 12 LEU H 1 12 LEU QB . . 3.520 2.448 2.206 2.806 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU H 1 12 LEU QD . . 3.970 3.493 2.812 3.864 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU H 1 13 PHE H . . 3.610 4.461 4.341 4.620 1.010 4 20 [***+***-************] 1
55 1 12 LEU HA 1 12 LEU QD . . 3.070 2.045 1.955 2.119 . 0 0 "[ . 1 . 2]" 1
56 1 12 LEU HA 1 12 LEU HG . . 3.810 3.342 2.516 3.755 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU HA 1 16 GLY H . . 3.530 12.861 11.680 13.429 9.899 5 20 [****+**-************] 1
58 1 12 LEU QB 1 13 PHE H . . 3.540 2.253 1.889 2.675 . 0 0 "[ . 1 . 2]" 1
59 1 12 LEU QB 1 16 GLY H . . 5.500 10.429 9.010 11.297 5.797 12 20 [*******-***+********] 1
60 1 12 LEU QD 1 13 PHE H . . 4.730 2.644 1.728 3.214 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU QD 1 17 LEU HA . . 5.370 10.330 9.852 11.018 5.648 12 20 [***********+*****-**] 1
62 1 12 LEU QD 1 18 ASN H . . 4.430 11.603 11.127 12.137 7.707 7 20 [******+**********-**] 1
63 1 12 LEU QD 1 18 ASN HA . . 3.150 13.516 12.993 14.133 10.983 12 20 [***-*******+********] 1
64 1 12 LEU QD 1 18 ASN QB . . 4.630 11.739 11.032 12.326 7.696 7 20 [******+**********-**] 1
65 1 12 LEU QD 1 21 THR H . . 4.900 13.633 12.887 14.257 9.357 1 20 [+*-*****************] 1
66 1 12 LEU QD 1 22 ASN H . . 5.500 12.611 11.744 13.376 7.876 4 20 [**-+****************] 1
67 1 13 PHE H 1 13 PHE QB . . 3.140 2.599 2.393 2.728 . 0 0 "[ . 1 . 2]" 1
68 1 13 PHE H 1 14 ILE H . . 3.030 4.230 4.058 4.372 1.342 12 20 [***********+-*******] 1
69 1 13 PHE HA 1 15 GLY H . . 4.180 6.255 5.977 6.533 2.353 2 20 [*+*****************-] 1
70 1 13 PHE QB 1 14 ILE H . . 3.670 3.840 3.659 4.007 0.337 4 0 "[ . 1 . 2]" 1
71 1 13 PHE QB 1 15 GLY H . . 5.500 5.929 5.414 6.455 0.955 2 7 "[*+ .* * * - . *2]" 1
72 1 14 ILE H 1 15 GLY H . . 3.290 4.360 4.155 4.461 1.171 1 20 [+******************-] 1
73 1 14 ILE H 1 15 GLY HA2 . . 5.450 4.952 4.822 5.160 . 0 0 "[ . 1 . 2]" 1
74 1 14 ILE H 1 15 GLY HA3 . . 4.980 5.254 5.057 5.650 0.670 13 2 "[- . 1 + . 2]" 1
75 1 14 ILE H 1 16 GLY H . . 4.250 7.008 5.990 7.559 3.309 1 20 [+**************-****] 1
76 1 15 GLY H 1 16 GLY H . . 3.280 4.022 2.716 4.420 1.140 1 14 "[+**** - ******. * *]" 1
77 1 17 LEU HA 1 18 ASN H . . 2.840 2.411 2.271 2.558 . 0 0 "[ . 1 . 2]" 1
78 1 17 LEU HA 1 18 ASN HA . . 4.330 4.334 3.648 4.490 0.160 13 0 "[ . 1 . 2]" 1
79 1 17 LEU HA 1 18 ASN QB . . 4.770 4.124 3.912 4.313 . 0 0 "[ . 1 . 2]" 1
80 1 17 LEU HA 1 19 THR H . . 5.050 6.493 6.017 6.600 1.550 9 20 [***-****+***********] 1
81 1 17 LEU HA 1 21 THR H . . 5.500 7.228 6.497 8.036 2.536 4 20 [***+**-*************] 1
82 1 17 LEU QB 1 18 ASN H . . 3.790 2.233 1.880 2.516 . 0 0 "[ . 1 . 2]" 1
83 1 17 LEU QB 1 19 THR H . . 4.540 5.503 5.257 5.728 1.188 4 20 [***+*************-**] 1
84 1 17 LEU QB 1 20 GLU H . . 3.430 5.644 4.874 6.591 3.161 2 20 [*+*********-********] 1
85 1 18 ASN H 1 18 ASN QB . . 3.080 2.265 2.068 2.835 . 0 0 "[ . 1 . 2]" 1
86 1 18 ASN H 1 19 THR H . . 3.780 4.581 4.412 4.685 0.905 7 20 [***-**+*************] 1
87 1 18 ASN H 1 20 GLU H . . 4.970 4.954 4.491 5.836 0.866 2 2 "[ + . 1 . - 2]" 1
88 1 18 ASN H 1 21 THR H . . 5.500 5.105 4.475 6.301 0.801 18 1 "[ . 1 . + 2]" 1
89 1 18 ASN HA 1 20 GLU H . . 4.410 4.301 3.910 4.725 0.315 9 0 "[ . 1 . 2]" 1
90 1 18 ASN HA 1 21 THR H . . 4.450 5.694 5.359 6.398 1.948 18 20 [***********-*****+**] 1
91 1 18 ASN QB 1 19 THR H . . 3.440 3.012 2.105 3.353 . 0 0 "[ . 1 . 2]" 1
92 1 19 THR H 1 20 GLU H . . 3.440 2.607 1.789 2.922 . 0 0 "[ . 1 . 2]" 1
93 1 19 THR H 1 21 THR H . . 4.650 4.661 4.406 5.196 0.546 18 1 "[ . 1 . + 2]" 1
94 1 19 THR H 1 22 ASN H . . 5.030 8.899 8.339 9.330 4.300 7 20 [***-**+*************] 1
95 1 19 THR HA 1 21 THR H . . 5.360 4.055 3.729 4.504 . 0 0 "[ . 1 . 2]" 1
96 1 19 THR HA 1 22 ASN H . . 3.870 8.488 8.083 8.887 5.017 18 20 [*******-*********+**] 1
97 1 19 THR HA 1 22 ASN QB . . 3.290 9.201 8.476 9.868 6.578 15 20 [*******-******+*****] 1
98 1 19 THR HA 1 23 GLU H . . 4.890 10.837 9.913 11.512 6.622 18 20 [***-*************+**] 1
99 1 20 GLU H 1 21 THR H . . 3.050 2.492 2.064 3.107 0.057 2 0 "[ . 1 . 2]" 1
100 1 20 GLU H 1 21 THR HA . . 5.310 4.503 4.128 5.099 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLU H 1 22 ASN H . . 4.500 6.631 5.908 7.282 2.782 2 20 [*+*****-************] 1
102 1 20 GLU H 1 23 GLU H . . 5.500 9.961 9.587 10.577 5.077 2 20 [*+*********-********] 1
103 1 20 GLU HA 1 22 ASN H . . 5.170 6.247 5.493 6.657 1.487 19 19 "[******* ***-******+*]" 1
104 1 20 GLU HA 1 23 GLU H . . 3.930 8.798 8.088 9.445 5.515 4 20 [***+*******-********] 1
105 1 21 THR H 1 22 ASN H . . 3.400 4.550 4.254 4.656 1.256 10 20 [***-*****+**********] 1
106 1 21 THR H 1 22 ASN QB . . 5.500 5.939 5.309 6.252 0.752 19 12 "[ ** * *1*** *-* +*]" 1
107 1 21 THR H 1 23 GLU H . . 5.000 7.577 7.121 7.777 2.777 17 20 [***-************+***] 1
108 1 21 THR HA 1 23 GLU H . . 5.310 6.526 6.375 6.668 1.358 17 20 [***-************+***] 1
109 1 21 THR HA 1 24 LYS QB . . 3.760 8.118 7.573 8.768 5.008 15 20 [********-*****+*****] 1
110 1 22 ASN H 1 22 ASN QB . . 3.140 2.902 2.518 3.358 0.218 10 0 "[ . 1 . 2]" 1
111 1 22 ASN H 1 23 GLU H . . 3.480 4.358 4.228 4.470 0.990 15 20 [**************+-****] 1
112 1 22 ASN H 1 24 LYS H . . 4.640 5.185 4.779 5.669 1.029 11 11 "[ * .- * 1+* ***** *]" 1
113 1 22 ASN H 1 25 ALA H . . 5.200 3.488 3.176 3.971 . 0 0 "[ . 1 . 2]" 1
114 1 22 ASN HA 1 25 ALA H . . 4.170 4.684 4.328 5.080 0.910 4 10 "[**-+.* ** * **2]" 1
115 1 22 ASN QB 1 23 GLU H . . 3.530 2.256 2.155 2.451 . 0 0 "[ . 1 . 2]" 1
116 1 23 GLU H 1 23 GLU HB2 . . 3.950 2.615 2.404 2.984 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLU H 1 24 LYS H . . 3.430 2.788 2.480 3.097 . 0 0 "[ . 1 . 2]" 1
118 1 23 GLU H 1 25 ALA H . . 4.810 4.071 3.694 4.450 . 0 0 "[ . 1 . 2]" 1
119 1 24 LYS H 1 24 LYS QB . . 3.370 2.466 2.239 2.745 . 0 0 "[ . 1 . 2]" 1
120 1 24 LYS H 1 25 ALA H . . 3.420 2.880 2.512 3.033 . 0 0 "[ . 1 . 2]" 1
121 1 24 LYS H 1 25 ALA MB . . 5.300 4.547 4.211 4.769 . 0 0 "[ . 1 . 2]" 1
122 1 24 LYS H 1 26 LEU H . . 4.940 4.266 3.870 4.573 . 0 0 "[ . 1 . 2]" 1
123 1 24 LYS H 1 27 GLU H . . 5.410 4.885 4.603 5.155 . 0 0 "[ . 1 . 2]" 1
124 1 24 LYS HA 1 28 ALA H . . 5.110 4.792 4.228 5.407 0.297 13 0 "[ . 1 . 2]" 1
125 1 24 LYS QB 1 25 ALA H . . 3.820 3.633 3.421 3.898 0.078 4 0 "[ . 1 . 2]" 1
126 1 25 ALA H 1 25 ALA MB . . 2.890 2.264 2.185 2.434 . 0 0 "[ . 1 . 2]" 1
127 1 25 ALA H 1 26 LEU H . . 3.600 2.372 2.045 2.573 . 0 0 "[ . 1 . 2]" 1
128 1 25 ALA H 1 27 GLU H . . 5.060 3.951 3.618 4.150 . 0 0 "[ . 1 . 2]" 1
129 1 25 ALA HA 1 28 ALA H . . 3.990 3.429 2.941 3.992 0.002 13 0 "[ . 1 . 2]" 1
130 1 25 ALA HA 1 28 ALA MB . . 3.650 2.964 2.447 3.859 0.209 13 0 "[ . 1 . 2]" 1
131 1 25 ALA MB 1 26 LEU H . . 3.950 2.718 2.326 3.317 . 0 0 "[ . 1 . 2]" 1
132 1 26 LEU H 1 26 LEU HB2 . . 3.470 2.244 1.962 2.532 . 0 0 "[ . 1 . 2]" 1
133 1 26 LEU H 1 26 LEU HB3 . . 3.530 3.494 3.271 3.578 0.048 8 0 "[ . 1 . 2]" 1
134 1 26 LEU H 1 27 GLU H . . 3.470 2.628 2.025 2.904 . 0 0 "[ . 1 . 2]" 1
135 1 26 LEU H 1 28 ALA H . . 4.220 4.109 3.480 4.573 0.353 13 0 "[ . 1 . 2]" 1
136 1 26 LEU HA 1 27 GLU HA . . 5.210 4.882 4.813 4.918 . 0 0 "[ . 1 . 2]" 1
137 1 26 LEU HA 1 28 ALA H . . 4.410 4.092 3.496 4.407 . 0 0 "[ . 1 . 2]" 1
138 1 26 LEU HA 1 29 VAL H . . 3.910 3.028 2.635 3.376 . 0 0 "[ . 1 . 2]" 1
139 1 26 LEU HA 1 29 VAL HB . . 3.430 2.525 2.081 2.920 . 0 0 "[ . 1 . 2]" 1
140 1 26 LEU HA 1 29 VAL QG . . 3.340 2.426 2.088 3.085 . 0 0 "[ . 1 . 2]" 1
141 1 26 LEU HA 1 30 PHE H . . 4.580 4.086 3.661 4.936 0.356 8 0 "[ . 1 . 2]" 1
142 1 26 LEU HB2 1 27 GLU H . . 4.110 2.845 2.636 2.949 . 0 0 "[ . 1 . 2]" 1
143 1 26 LEU HB3 1 27 GLU H . . 4.180 3.412 2.776 3.797 . 0 0 "[ . 1 . 2]" 1
144 1 27 GLU H 1 28 ALA H . . 3.420 2.786 2.609 2.898 . 0 0 "[ . 1 . 2]" 1
145 1 27 GLU H 1 28 ALA MB . . 5.500 4.487 4.393 4.527 . 0 0 "[ . 1 . 2]" 1
146 1 27 GLU H 1 29 VAL H . . 5.160 4.128 3.962 4.463 . 0 0 "[ . 1 . 2]" 1
147 1 27 GLU HA 1 32 LYS QB . . 5.130 8.147 7.468 8.684 3.554 4 20 [-**+****************] 1
148 1 28 ALA H 1 28 ALA MB . . 3.460 2.264 2.194 2.321 . 0 0 "[ . 1 . 2]" 1
149 1 28 ALA H 1 29 VAL H . . 3.500 2.595 2.243 2.855 . 0 0 "[ . 1 . 2]" 1
150 1 28 ALA H 1 29 VAL HB . . 4.840 4.805 4.367 5.124 0.284 11 0 "[ . 1 . 2]" 1
151 1 28 ALA H 1 29 VAL QG . . 4.510 3.987 3.132 4.392 . 0 0 "[ . 1 . 2]" 1
152 1 28 ALA HA 1 29 VAL HA . . 4.880 4.810 4.677 4.962 0.082 2 0 "[ . 1 . 2]" 1
153 1 28 ALA HA 1 31 GLY H . . 5.500 3.805 3.252 4.588 . 0 0 "[ . 1 . 2]" 1
154 1 28 ALA HA 1 32 LYS H . . 5.160 5.294 4.238 6.241 1.081 10 5 "[ * . * +- . *2]" 1
155 1 28 ALA HA 1 33 TYR H . . 4.500 7.698 6.983 8.571 4.071 8 20 [*******+****-*******] 1
156 1 28 ALA MB 1 29 VAL H . . 4.150 2.925 2.468 3.268 . 0 0 "[ . 1 . 2]" 1
157 1 28 ALA MB 1 29 VAL QG . . 5.200 3.414 2.890 3.726 . 0 0 "[ . 1 . 2]" 1
158 1 29 VAL H 1 29 VAL HB . . 3.190 2.480 2.362 2.584 . 0 0 "[ . 1 . 2]" 1
159 1 29 VAL H 1 29 VAL QG . . 3.050 2.328 2.023 2.544 . 0 0 "[ . 1 . 2]" 1
160 1 29 VAL H 1 30 PHE H . . 3.460 2.705 2.398 3.063 . 0 0 "[ . 1 . 2]" 1
161 1 29 VAL H 1 30 PHE HA . . 4.930 5.285 5.038 5.484 0.554 16 6 "[ *- . 1 ** .+ * 2]" 1
162 1 29 VAL H 1 30 PHE QB . . 4.890 4.787 4.255 5.192 0.302 18 0 "[ . 1 . 2]" 1
163 1 29 VAL H 1 31 GLY H . . 5.250 3.971 3.656 4.370 . 0 0 "[ . 1 . 2]" 1
164 1 29 VAL H 1 32 LYS H . . 4.740 6.163 5.486 7.099 2.359 10 20 [*********+**-*******] 1
165 1 29 VAL HA 1 29 VAL QG . . 3.070 2.147 2.111 2.206 . 0 0 "[ . 1 . 2]" 1
166 1 29 VAL HA 1 30 PHE HA . . 4.750 4.547 4.454 4.620 . 0 0 "[ . 1 . 2]" 1
167 1 29 VAL HA 1 31 GLY H . . 4.100 4.839 4.520 5.164 1.064 1 18 "[+-****** *** *******]" 1
168 1 29 VAL HB 1 30 PHE H . . 3.560 2.510 2.194 3.035 . 0 0 "[ . 1 . 2]" 1
169 1 29 VAL QG 1 30 PHE H . . 3.990 3.084 2.854 3.449 . 0 0 "[ . 1 . 2]" 1
170 1 29 VAL QG 1 30 PHE HA . . 4.320 3.262 2.982 3.514 . 0 0 "[ . 1 . 2]" 1
171 1 29 VAL QG 1 30 PHE QB . . 4.950 3.695 3.512 3.891 . 0 0 "[ . 1 . 2]" 1
172 1 29 VAL QG 1 31 GLY H . . 4.940 4.643 4.409 4.902 . 0 0 "[ . 1 . 2]" 1
173 1 30 PHE H 1 30 PHE QB . . 2.990 2.388 2.298 2.473 . 0 0 "[ . 1 . 2]" 1
174 1 30 PHE H 1 31 GLY H . . 3.210 2.415 2.122 2.562 . 0 0 "[ . 1 . 2]" 1
175 1 30 PHE H 1 32 LYS H . . 4.140 4.638 4.054 5.008 0.868 10 10 "[ ***- *+* *. **2]" 1
176 1 30 PHE H 1 33 TYR H . . 5.500 6.113 5.671 6.565 1.065 3 12 "[ *+ ** **** - ***]" 1
177 1 30 PHE HA 1 32 LYS H . . 4.950 3.637 3.244 4.209 . 0 0 "[ . 1 . 2]" 1
178 1 30 PHE QB 1 31 GLY H . . 3.880 3.278 3.100 3.448 . 0 0 "[ . 1 . 2]" 1
179 1 30 PHE QB 1 31 GLY HA2 . . 5.200 4.044 3.867 4.242 . 0 0 "[ . 1 . 2]" 1
180 1 30 PHE QB 1 31 GLY HA3 . . 5.210 4.756 4.602 4.933 . 0 0 "[ . 1 . 2]" 1
181 1 30 PHE QB 1 32 LYS H . . 3.580 4.572 4.221 5.027 1.447 14 20 [*************+*****-] 1
182 1 31 GLY H 1 32 LYS H . . 3.300 2.944 2.717 3.381 0.081 2 0 "[ . 1 . 2]" 1
183 1 31 GLY HA3 1 33 TYR H . . 4.580 4.447 4.251 4.910 0.330 19 0 "[ . 1 . 2]" 1
184 1 32 LYS H 1 32 LYS QB . . 3.450 2.616 2.395 3.162 . 0 0 "[ . 1 . 2]" 1
185 1 32 LYS H 1 33 TYR H . . 3.210 2.623 1.748 3.197 . 0 0 "[ . 1 . 2]" 1
186 1 32 LYS QB 1 33 TYR H . . 3.750 3.947 3.667 4.060 0.310 13 0 "[ . 1 . 2]" 1
187 1 33 TYR H 1 34 GLY H . . 4.760 2.320 1.981 3.221 . 0 0 "[ . 1 . 2]" 1
188 1 33 TYR HA 1 34 GLY H . . 2.840 3.433 2.357 3.649 0.809 9 16 "[*** ****+* **-** **]" 1
189 1 34 GLY H 1 37 VAL H . . 4.640 9.047 8.068 10.235 5.595 4 20 [***+****-***********] 1
190 1 35 ARG H 1 35 ARG HB2 . . 4.180 3.102 2.224 3.927 . 0 0 "[ . 1 . 2]" 1
191 1 35 ARG H 1 35 ARG HB3 . . 3.590 3.500 2.655 4.172 0.582 14 2 "[- . 1 +. 2]" 1
192 1 35 ARG H 1 35 ARG QD . . 5.500 4.434 3.037 5.564 0.064 11 0 "[ . 1 . 2]" 1
193 1 35 ARG H 1 36 ILE H . . 4.960 4.151 3.509 4.612 . 0 0 "[ . 1 . 2]" 1
194 1 35 ARG HA 1 37 VAL H . . 4.350 6.108 5.792 6.550 2.200 12 20 [********-**+********] 1
195 1 35 ARG HB2 1 36 ILE H . . 4.630 4.194 2.790 4.604 . 0 0 "[ . 1 . 2]" 1
196 1 35 ARG HB3 1 35 ARG QD . . 3.550 2.736 2.124 3.549 . 0 0 "[ . 1 . 2]" 1
197 1 35 ARG HB3 1 36 ILE H . . 4.110 3.693 2.166 4.490 0.380 8 0 "[ . 1 . 2]" 1
198 1 35 ARG QD 1 36 ILE HA . . 5.500 6.293 5.672 6.879 1.379 3 15 "[**+*.*** 1 -****** *]" 1
199 1 36 ILE HA 1 38 GLU H . . 4.340 3.712 3.378 3.912 . 0 0 "[ . 1 . 2]" 1
200 1 37 VAL H 1 38 GLU H . . 3.260 1.986 1.752 2.199 . 0 0 "[ . 1 . 2]" 1
201 1 37 VAL HA 1 72 ASN QB . . 4.590 18.460 17.235 19.144 14.554 14 20 [*****-*******+******] 1
202 1 38 GLU H 1 38 GLU QB . . 3.460 2.717 2.374 2.895 . 0 0 "[ . 1 . 2]" 1
203 1 38 GLU H 1 39 VAL H . . 4.480 4.194 3.883 4.384 . 0 0 "[ . 1 . 2]" 1
204 1 38 GLU HA 1 39 VAL H . . 2.840 2.260 2.100 2.435 . 0 0 "[ . 1 . 2]" 1
205 1 38 GLU HA 1 42 MET H . . 5.500 12.087 11.195 12.773 7.273 14 20 [*************+**-***] 1
206 1 38 GLU HA 1 42 MET QB . . 4.420 12.777 11.794 13.386 8.966 8 20 [-******+************] 1
207 1 38 GLU HA 1 73 GLY H . . 5.500 21.130 20.099 22.034 16.534 20 20 [*******-***********+] 1
208 1 38 GLU QB 1 39 VAL H . . 4.050 3.381 2.988 3.968 . 0 0 "[ . 1 . 2]" 1
209 1 38 GLU QB 1 42 MET QB . . 3.810 11.249 10.595 12.239 8.429 20 20 [****-**************+] 1
210 1 39 VAL H 1 40 LEU H . . 4.510 3.990 2.958 4.430 . 0 0 "[ . 1 . 2]" 1
211 1 39 VAL H 1 42 MET QB . . 3.910 10.946 10.272 11.544 7.634 20 20 [-******************+] 1
212 1 39 VAL HA 1 40 LEU H . . 3.010 2.297 2.188 2.558 . 0 0 "[ . 1 . 2]" 1
213 1 39 VAL HA 1 40 LEU QB . . 4.430 4.080 3.836 4.385 . 0 0 "[ . 1 . 2]" 1
214 1 40 LEU H 1 40 LEU QB . . 3.100 2.483 2.130 2.812 . 0 0 "[ . 1 . 2]" 1
215 1 40 LEU H 1 41 LEU H . . 3.490 4.036 3.703 4.339 0.849 9 10 "[ * ****+1- * **]" 1
216 1 40 LEU H 1 41 LEU HA . . 5.200 4.720 4.251 5.305 0.105 7 0 "[ . 1 . 2]" 1
217 1 40 LEU HA 1 40 LEU QB . . 2.800 2.522 2.396 2.582 . 0 0 "[ . 1 . 2]" 1
218 1 40 LEU HA 1 43 LYS H . . 3.750 8.195 7.336 9.327 5.577 8 20 [*******+****-*******] 1
219 1 41 LEU H 1 41 LEU HB3 . . 3.340 2.570 2.394 2.810 . 0 0 "[ . 1 . 2]" 1
220 1 41 LEU H 1 44 ASP H . . 4.860 9.994 9.146 10.628 5.768 11 20 [**********+*-*******] 1
221 1 41 LEU HA 1 44 ASP H . . 3.800 8.889 8.449 9.270 5.470 11 20 [*-********+*********] 1
222 1 41 LEU HA 1 44 ASP QB . . 3.120 9.871 9.274 10.321 7.201 18 20 [*-***************+**] 1
223 1 41 LEU HA 1 45 ARG H . . 4.660 12.591 11.781 13.035 8.375 1 20 [+*******-***********] 1
224 1 42 MET H 1 42 MET QB . . 3.320 2.652 2.401 3.167 . 0 0 "[ . 1 . 2]" 1
225 1 42 MET H 1 43 LYS H . . 3.400 4.508 4.169 4.714 1.314 4 20 [***+****-***********] 1
226 1 42 MET H 1 44 ASP H . . 4.450 7.262 6.664 7.683 3.233 19 20 [********-*********+*] 1
227 1 42 MET HA 1 45 ARG H . . 3.780 8.969 7.687 9.487 5.707 5 20 [****+***-***********] 1
228 1 42 MET HA 1 45 ARG QB . . 3.370 8.957 8.096 10.070 6.700 4 20 [***+****-***********] 1
229 1 42 MET QB 1 43 LYS H . . 3.550 3.058 2.554 3.572 0.022 6 0 "[ . 1 . 2]" 1
230 1 42 MET QB 1 43 LYS HA . . 5.500 4.328 4.143 4.621 . 0 0 "[ . 1 . 2]" 1
231 1 42 MET QB 1 76 LEU QB . . 3.940 12.502 11.710 13.504 9.564 11 20 [**********+**-******] 1
232 1 42 MET QB 1 76 LEU QD . . 3.780 10.362 8.805 11.780 8.000 15 20 [*********-****+*****] 1
233 1 42 MET QB 1 77 ASP H . . 4.580 16.776 14.479 18.313 13.733 11 20 [**********+**-******] 1
234 1 42 MET QB 1 77 ASP QB . . 5.340 13.672 12.176 14.743 9.403 11 20 [**********+******-**] 1
235 1 43 LYS H 1 44 ASP H . . 3.410 4.362 4.222 4.503 1.093 7 20 [******+-************] 1
236 1 43 LYS H 1 45 ARG H . . 4.170 6.862 5.696 7.580 3.410 7 20 [******+-************] 1
237 1 43 LYS HA 1 45 ARG H . . 5.030 6.327 5.926 6.515 1.485 7 20 [******+*-***********] 1
238 1 43 LYS HA 1 46 GLU H . . 3.750 7.204 6.837 7.614 3.864 1 20 [+***********-*******] 1
239 1 43 LYS HA 1 46 GLU QB . . 3.860 7.606 7.018 8.094 4.234 15 20 [*****-********+*****] 1
240 1 43 LYS HA 1 47 THR H . . 5.500 7.290 6.880 7.898 2.398 1 20 [+**********-********] 1
241 1 44 ASP H 1 44 ASP QB . . 2.950 2.237 2.063 2.363 . 0 0 "[ . 1 . 2]" 1
242 1 44 ASP H 1 45 ARG H . . 3.300 4.598 4.498 4.757 1.457 3 20 [-*+*****************] 1
243 1 44 ASP H 1 45 ARG QB . . 4.600 6.078 5.741 6.339 1.739 11 20 [****-*****+*********] 1
244 1 44 ASP HA 1 47 THR H . . 3.900 5.650 5.122 6.126 2.226 7 20 [******+-************] 1
245 1 44 ASP HA 1 48 ASN H . . 5.500 6.091 5.400 6.549 1.049 2 14 "[ +***** * ***.*** -]" 1
246 1 44 ASP QB 1 45 ARG H . . 3.310 3.090 2.541 3.700 0.390 8 0 "[ . 1 . 2]" 1
247 1 45 ARG H 1 45 ARG QB . . 2.950 2.576 2.260 3.087 0.137 19 0 "[ . 1 . 2]" 1
248 1 45 ARG H 1 46 GLU QB . . 4.840 4.234 3.487 5.150 0.310 15 0 "[ . 1 . 2]" 1
249 1 45 ARG H 1 48 ASN H . . 5.290 5.476 4.490 5.954 0.664 2 4 "[ + .* - * . 2]" 1
250 1 45 ARG HA 1 48 ASN H . . 4.110 4.129 3.611 4.557 0.447 7 0 "[ . 1 . 2]" 1
251 1 45 ARG QB 1 46 GLU H . . 3.400 3.554 2.398 3.967 0.567 3 8 "[ + .* 1* * **- *2]" 1
252 1 45 ARG QB 1 49 LYS QE . . 5.500 9.032 7.249 10.328 4.828 19 20 [*************-****+*] 1
253 1 46 GLU H 1 46 GLU QB . . 3.150 2.389 2.056 2.860 . 0 0 "[ . 1 . 2]" 1
254 1 46 GLU H 1 48 ASN H . . 4.520 4.262 2.881 4.661 0.141 2 0 "[ . 1 . 2]" 1
255 1 46 GLU HA 1 49 LYS QB . . 5.220 6.279 5.463 7.185 1.965 1 16 "[+**-** **1* *******2]" 1
256 1 46 GLU HA 1 49 LYS QD . . 3.210 6.014 4.820 6.834 3.624 19 20 [**********-*******+*] 1
257 1 46 GLU HA 1 49 LYS QE . . 3.620 7.002 5.297 8.229 4.609 19 20 [******************+-] 1
258 1 46 GLU HA 1 54 ALA HA . . 5.500 17.103 16.604 17.734 12.234 14 20 [*****-*******+******] 1
259 1 46 GLU QB 1 47 THR H . . 3.810 2.202 1.912 2.462 . 0 0 "[ . 1 . 2]" 1
260 1 46 GLU QB 1 48 ASN H . . 4.960 4.477 4.123 4.920 . 0 0 "[ . 1 . 2]" 1
261 1 47 THR H 1 48 ASN H . . 3.300 2.503 2.067 3.089 . 0 0 "[ . 1 . 2]" 1
262 1 48 ASN H 1 48 ASN QB . . 2.930 3.297 2.811 3.509 0.579 11 3 "[ . 1+ - *2]" 1
263 1 48 ASN H 1 49 LYS QB . . 5.120 4.758 4.240 5.376 0.256 8 0 "[ . 1 . 2]" 1
264 1 48 ASN QB 1 49 LYS HA . . 4.950 4.388 4.038 4.618 . 0 0 "[ . 1 . 2]" 1
265 1 49 LYS H 1 49 LYS QB . . 3.230 2.299 1.969 2.920 . 0 0 "[ . 1 . 2]" 1
266 1 49 LYS H 1 50 SER H . . 4.560 4.668 4.551 4.789 0.229 1 0 "[ . 1 . 2]" 1
267 1 49 LYS H 1 54 ALA MB . . 4.850 11.194 10.124 11.838 6.988 20 20 [*-*****************+] 1
268 1 49 LYS HA 1 49 LYS QD . . 3.960 3.810 2.110 4.471 0.511 15 1 "[ . 1 + 2]" 1
269 1 49 LYS HA 1 50 SER H . . 2.940 2.415 2.270 2.624 . 0 0 "[ . 1 . 2]" 1
270 1 49 LYS QB 1 50 SER H . . 3.280 2.704 2.155 3.014 . 0 0 "[ . 1 . 2]" 1
271 1 49 LYS QB 1 53 PHE H . . 4.450 8.114 7.318 9.019 4.569 14 20 [**-**********+******] 1
272 1 49 LYS QB 1 54 ALA H . . 3.900 11.732 10.829 12.610 8.710 14 20 [*-***********+******] 1
273 1 49 LYS QB 1 54 ALA MB . . 3.560 9.238 8.199 9.736 6.176 20 20 [*-*****************+] 1
274 1 49 LYS QD 1 50 SER H . . 4.050 4.751 3.968 5.300 1.250 1 15 "[+***-* *1* ***** **]" 1
275 1 49 LYS QD 1 53 PHE H . . 5.500 10.109 9.143 11.706 6.206 14 20 [****-********+******] 1
276 1 49 LYS QD 1 54 ALA H . . 4.780 13.744 12.756 15.251 10.471 14 20 [****-********+******] 1
277 1 49 LYS QD 1 54 ALA MB . . 4.410 10.980 10.118 11.733 7.323 14 20 [*-***********+******] 1
278 1 49 LYS QD 1 57 THR MG . . 4.260 19.686 18.739 20.347 16.087 14 20 [******-******+******] 1
279 1 49 LYS QE 1 57 THR MG . . 4.000 20.495 19.272 21.139 17.139 1 20 [+**********-********] 1
280 1 49 LYS QE 1 80 ALA HA . . 4.210 16.951 15.874 18.359 14.149 11 20 [****-*****+*********] 1
281 1 49 LYS QE 1 80 ALA MB . . 3.500 14.136 13.081 15.009 11.509 9 20 [********+**-********] 1
282 1 50 SER H 1 50 SER QB . . 3.870 2.400 2.022 2.800 . 0 0 "[ . 1 . 2]" 1
283 1 50 SER H 1 52 GLY H . . 5.150 5.810 4.567 7.609 2.459 15 8 "[* . -*1* *+* *]" 1
284 1 50 SER H 1 53 PHE H . . 4.240 7.575 6.707 8.459 4.219 11 20 [*-********+*********] 1
285 1 50 SER H 1 54 ALA MB . . 5.160 8.271 6.851 9.501 4.341 11 20 [*-********+*********] 1
286 1 50 SER HA 1 51 ARG H . . 3.120 2.376 2.231 2.557 . 0 0 "[ . 1 . 2]" 1
287 1 50 SER HA 1 51 ARG QB . . 4.970 4.660 4.356 5.041 0.071 8 0 "[ . 1 . 2]" 1
288 1 50 SER QB 1 51 ARG H . . 3.270 3.134 2.482 4.053 0.783 8 2 "[ . + 1- . 2]" 1
289 1 50 SER QB 1 51 ARG QB . . 4.820 4.967 4.399 5.979 1.159 8 3 "[ . + 1* . - 2]" 1
290 1 50 SER QB 1 52 GLY H . . 4.460 3.934 2.111 6.910 2.450 11 8 "[* . **1+ **- *]" 1
291 1 51 ARG H 1 51 ARG QB . . 2.890 2.587 2.253 3.050 0.160 8 0 "[ . 1 . 2]" 1
292 1 51 ARG H 1 52 GLY H . . 3.520 3.340 2.189 4.707 1.187 8 8 "[* . +*1* *-* *]" 1
293 1 51 ARG HA 1 51 ARG QG . . 2.950 2.646 2.291 2.997 0.047 16 0 "[ . 1 . 2]" 1
294 1 51 ARG HA 1 54 ALA MB . . 3.750 7.622 7.006 8.310 4.560 4 20 [***+****-***********] 1
295 1 51 ARG QB 1 52 GLY H . . 3.500 3.087 2.200 3.858 0.358 2 0 "[ . 1 . 2]" 1
296 1 51 ARG QB 1 53 PHE H . . 5.500 3.080 2.674 3.566 . 0 0 "[ . 1 . 2]" 1
297 1 51 ARG QG 1 52 GLY H . . 3.850 4.421 4.148 4.625 0.775 3 13 "[ *+**** ** *- .** *2]" 1
298 1 51 ARG QG 1 53 PHE H . . 5.500 4.913 4.540 5.368 . 0 0 "[ . 1 . 2]" 1
299 1 51 ARG QG 1 55 PHE H . . 4.960 9.152 7.833 10.505 5.545 19 20 [*-****************+*] 1
300 1 52 GLY H 1 53 PHE H . . 2.400 2.903 2.351 3.451 1.051 8 8 "[* . +-1* *** *]" 1
301 1 52 GLY H 1 54 ALA MB . . 5.500 6.080 5.030 7.168 1.668 8 8 "[* . +-1* *** *]" 1
302 1 53 PHE H 1 54 ALA H . . 2.960 4.290 4.223 4.320 1.360 8 20 [-******+************] 1
303 1 53 PHE H 1 54 ALA MB . . 4.470 4.233 3.970 4.491 0.021 17 0 "[ . 1 . 2]" 1
304 1 53 PHE H 1 56 VAL H . . 5.500 10.639 10.151 10.889 5.389 12 20 [***********+****-***] 1
305 1 54 ALA H 1 54 ALA MB . . 3.030 2.745 2.622 2.829 . 0 0 "[ . 1 . 2]" 1
306 1 54 ALA H 1 55 PHE H . . 3.500 4.405 4.298 4.476 0.976 12 20 [****-******+********] 1
307 1 54 ALA H 1 55 PHE QB . . 4.930 4.939 4.575 5.270 0.340 15 0 "[ . 1 . 2]" 1
308 1 54 ALA H 1 56 VAL H . . 5.010 6.685 6.287 6.997 1.987 14 20 [*************+**-***] 1
309 1 54 ALA H 1 57 THR MG . . 5.500 10.938 10.571 11.197 5.697 8 20 [*******+-***********] 1
310 1 54 ALA HA 1 56 VAL H . . 5.020 6.456 5.969 6.635 1.615 12 20 [***********+****-***] 1
311 1 54 ALA HA 1 57 THR H . . 4.010 9.444 8.862 9.736 5.726 1 20 [+******************-] 1
312 1 54 ALA HA 1 57 THR HB . . 3.380 11.462 11.039 11.910 8.530 1 20 [+***************-***] 1
313 1 54 ALA HA 1 57 THR MG . . 3.900 10.245 10.058 10.487 6.587 11 20 [**********+****-****] 1
314 1 54 ALA MB 1 55 PHE H . . 3.330 2.254 2.094 2.575 . 0 0 "[ . 1 . 2]" 1
315 1 54 ALA MB 1 56 VAL H . . 5.470 5.040 4.101 5.340 . 0 0 "[ . 1 . 2]" 1
316 1 54 ALA MB 1 57 THR MG . . 4.520 8.537 8.174 8.725 4.205 3 20 [**+*************-***] 1
317 1 55 PHE H 1 55 PHE QB . . 2.830 2.472 2.343 2.618 . 0 0 "[ . 1 . 2]" 1
318 1 55 PHE H 1 56 VAL H . . 3.240 4.326 4.066 4.426 1.186 1 20 [+***************-***] 1
319 1 55 PHE HA 1 56 VAL H . . 3.560 2.237 1.954 2.343 . 0 0 "[ . 1 . 2]" 1
320 1 55 PHE HA 1 57 THR H . . 4.630 6.168 5.637 6.419 1.789 5 20 [****+***-***********] 1
321 1 55 PHE QB 1 56 VAL H . . 3.390 3.682 3.535 3.848 0.458 17 0 "[ . 1 . 2]" 1
322 1 56 VAL H 1 57 THR H . . 3.290 4.221 3.785 4.425 1.135 5 19 "[****+*** **********-]" 1
323 1 56 VAL H 1 57 THR HA . . 5.500 4.595 4.285 4.881 . 0 0 "[ . 1 . 2]" 1
324 1 56 VAL H 1 57 THR MG . . 5.030 5.526 5.250 5.901 0.871 20 10 "[-** ** * 1 * * * +]" 1
325 1 56 VAL H 1 58 PHE H . . 5.250 6.576 5.873 7.174 1.924 3 20 [**+**************-**] 1
326 1 56 VAL H 1 59 GLU H . . 5.500 10.236 9.870 10.578 5.078 1 20 [+**-****************] 1
327 1 56 VAL HA 1 59 GLU H . . 3.760 8.829 8.489 9.150 5.390 1 20 [+******************-] 1
328 1 56 VAL HA 1 59 GLU QB . . 3.420 9.463 9.237 9.810 6.390 1 20 [+**************-****] 1
329 1 57 THR H 1 57 THR HB . . 3.080 2.796 2.515 3.038 . 0 0 "[ . 1 . 2]" 1
330 1 57 THR H 1 57 THR MG . . 3.240 3.880 3.697 3.970 0.730 10 19 [********-+*********2] 1
331 1 57 THR HA 1 57 THR MG . . 3.680 2.252 2.174 2.393 . 0 0 "[ . 1 . 2]" 1
332 1 57 THR HA 1 59 GLU H . . 5.500 6.341 6.032 6.688 1.188 9 20 [********+***-*******] 1
333 1 57 THR HA 1 59 GLU QB . . 4.940 7.370 7.031 7.849 2.909 9 20 [********+***-*******] 1
334 1 57 THR HA 1 60 SER H . . 4.360 7.551 6.944 8.066 3.706 19 20 [******-***********+*] 1
335 1 57 THR HA 1 60 SER QB . . 4.350 8.945 8.608 9.333 4.983 20 20 [************-******+] 1
336 1 57 THR HA 1 80 ALA HA . . 5.130 20.409 20.014 21.063 15.933 12 20 [***********+****-***] 1
337 1 57 THR HB 1 80 ALA HA . . 5.190 22.383 22.008 23.136 17.946 12 20 [*******-***+********] 1
338 1 57 THR MG 1 58 PHE H . . 4.170 2.625 1.917 3.441 . 0 0 "[ . 1 . 2]" 1
339 1 57 THR MG 1 80 ALA HA . . 3.810 19.202 18.887 19.666 15.856 12 20 [***********+****-***] 1
340 1 57 THR MG 1 80 ALA MB . . 3.650 16.824 16.552 17.194 13.544 4 20 [***+************-***] 1
341 1 57 THR MG 1 83 VAL H . . 5.350 13.560 13.156 14.293 8.943 4 20 [**-+****************] 1
342 1 58 PHE H 1 58 PHE HB2 . . 3.730 2.620 2.100 2.974 . 0 0 "[ . 1 . 2]" 1
343 1 58 PHE H 1 58 PHE HB3 . . 3.860 3.723 3.244 3.916 0.056 15 0 "[ . 1 . 2]" 1
344 1 58 PHE HA 1 61 PRO QB . . 3.780 8.245 7.784 8.742 4.962 15 20 [**-***********+*****] 1
345 1 58 PHE HA 1 61 PRO QD . . 4.670 7.574 7.269 7.872 3.202 15 20 [**-***********+*****] 1
346 1 58 PHE HA 1 76 LEU QD . . 4.670 12.437 11.644 13.860 9.190 19 20 [*****************-+*] 1
347 1 58 PHE HB2 1 59 GLU H . . 4.280 3.847 3.601 4.327 0.047 20 0 "[ . 1 . 2]" 1
348 1 58 PHE HB3 1 59 GLU H . . 3.510 2.748 2.329 3.433 . 0 0 "[ . 1 . 2]" 1
349 1 59 GLU H 1 59 GLU QB . . 2.990 2.078 1.940 2.233 . 0 0 "[ . 1 . 2]" 1
350 1 59 GLU H 1 59 GLU QG . . 4.370 3.875 3.756 4.068 . 0 0 "[ . 1 . 2]" 1
351 1 59 GLU H 1 60 SER H . . 3.360 2.763 2.534 3.013 . 0 0 "[ . 1 . 2]" 1
352 1 59 GLU QB 1 60 SER H . . 2.940 2.719 2.255 3.129 0.189 7 0 "[ . 1 . 2]" 1
353 1 60 SER H 1 60 SER QB . . 3.420 2.483 2.045 2.772 . 0 0 "[ . 1 . 2]" 1
354 1 60 SER H 1 61 PRO QB . . 5.240 6.108 5.777 6.280 1.040 6 20 [*****+***********-**] 1
355 1 60 SER HA 1 63 ASP H . . 3.980 4.819 4.413 5.383 1.403 18 19 "[ *********-******+**]" 1
356 1 60 SER HA 1 63 ASP QB . . 3.930 4.963 4.449 5.511 1.581 16 20 [-**************+****] 1
357 1 60 SER QB 1 61 PRO HA . . 5.150 4.713 4.328 5.194 0.044 10 0 "[ . 1 . 2]" 1
358 1 61 PRO HA 1 61 PRO QD . . 3.760 3.330 3.202 3.436 . 0 0 "[ . 1 . 2]" 1
359 1 61 PRO HA 1 63 ASP H . . 5.090 4.300 3.549 5.042 . 0 0 "[ . 1 . 2]" 1
360 1 61 PRO HA 1 64 ALA H . . 5.150 3.358 2.854 4.233 . 0 0 "[ . 1 . 2]" 1
361 1 61 PRO HA 1 76 LEU QD . . 4.920 15.466 14.577 16.670 11.750 19 20 [*****************-+*] 1
362 1 61 PRO QB 1 62 ALA H . . 3.570 3.462 3.193 3.753 0.183 2 0 "[ . 1 . 2]" 1
363 1 61 PRO QB 1 63 ASP H . . 5.500 5.127 4.730 5.595 0.095 2 0 "[ . 1 . 2]" 1
364 1 61 PRO QB 1 76 LEU QD . . 4.290 15.195 14.380 16.262 11.972 19 20 [*****************-+*] 1
365 1 61 PRO QD 1 62 ALA H . . 4.290 2.711 2.382 3.003 . 0 0 "[ . 1 . 2]" 1
366 1 61 PRO QD 1 62 ALA HA . . 5.190 5.213 4.913 5.474 0.284 9 0 "[ . 1 . 2]" 1
367 1 61 PRO QD 1 76 LEU QB . . 4.340 19.545 18.743 20.384 16.044 6 20 [*****+*-************] 1
368 1 61 PRO QD 1 76 LEU QD . . 3.700 15.695 15.029 16.736 13.036 19 20 [*****************-+*] 1
369 1 62 ALA H 1 62 ALA MB . . 2.990 2.241 2.146 2.349 . 0 0 "[ . 1 . 2]" 1
370 1 62 ALA H 1 63 ASP H . . 3.440 2.576 2.152 2.845 . 0 0 "[ . 1 . 2]" 1
371 1 62 ALA H 1 63 ASP QB . . 5.380 4.432 3.951 4.930 . 0 0 "[ . 1 . 2]" 1
372 1 62 ALA H 1 76 LEU QD . . 5.500 16.368 15.641 17.370 11.870 10 20 [***-*****+**********] 1
373 1 62 ALA HA 1 64 ALA H . . 5.180 4.105 3.896 4.127 . 0 0 "[ . 1 . 2]" 1
374 1 62 ALA MB 1 63 ASP H . . 3.450 2.720 2.286 3.235 . 0 0 "[ . 1 . 2]" 1
375 1 62 ALA MB 1 63 ASP QB . . 4.180 4.243 3.590 4.737 0.557 8 2 "[ . + 1 -. 2]" 1
376 1 62 ALA MB 1 64 ALA H . . 5.350 4.476 4.232 4.806 . 0 0 "[ . 1 . 2]" 1
377 1 63 ASP H 1 63 ASP QB . . 3.150 2.360 2.027 2.719 . 0 0 "[ . 1 . 2]" 1
378 1 63 ASP H 1 64 ALA H . . 3.300 2.539 2.075 2.821 . 0 0 "[ . 1 . 2]" 1
379 1 63 ASP QB 1 64 ALA H . . 4.670 2.761 2.205 3.457 . 0 0 "[ . 1 . 2]" 1
380 1 64 ALA H 1 64 ALA MB . . 3.230 2.267 2.092 2.407 . 0 0 "[ . 1 . 2]" 1
381 1 64 ALA H 1 65 LYS H . . 4.450 2.656 2.248 2.955 . 0 0 "[ . 1 . 2]" 1
382 1 64 ALA H 1 66 ASP H . . 5.500 4.350 4.098 4.794 . 0 0 "[ . 1 . 2]" 1
383 1 64 ALA HA 1 65 LYS H . . 3.020 3.484 3.172 3.631 0.611 1 12 "[+* * **1* *-** **]" 1
384 1 64 ALA HA 1 65 LYS QB . . 4.600 5.445 5.293 5.609 1.009 20 20 [******-************+] 1
385 1 64 ALA MB 1 65 LYS H . . 3.510 2.879 2.294 3.561 0.051 18 0 "[ . 1 . 2]" 1
386 1 65 LYS H 1 65 LYS QB . . 3.260 2.502 2.306 2.892 . 0 0 "[ . 1 . 2]" 1
387 1 65 LYS H 1 66 ASP H . . 4.060 2.593 2.081 2.957 . 0 0 "[ . 1 . 2]" 1
388 1 65 LYS HA 1 66 ASP H . . 2.830 3.608 3.531 3.673 0.843 19 20 [****************-*+*] 1
389 1 65 LYS HA 1 66 ASP HA . . 4.660 4.706 4.578 4.824 0.164 9 0 "[ . 1 . 2]" 1
390 1 65 LYS HA 1 66 ASP QB . . 5.130 5.321 5.202 5.374 0.244 5 0 "[ . 1 . 2]" 1
391 1 65 LYS HA 1 67 ALA H . . 3.940 4.690 4.262 5.176 1.236 3 17 "[ *+********** ***-*2]" 1
392 1 65 LYS QB 1 66 ASP H . . 4.480 2.855 2.287 3.479 . 0 0 "[ . 1 . 2]" 1
393 1 66 ASP H 1 66 ASP QB . . 3.340 2.099 2.032 2.225 . 0 0 "[ . 1 . 2]" 1
394 1 66 ASP HA 1 69 ARG H . . 4.300 3.176 2.884 3.635 . 0 0 "[ . 1 . 2]" 1
395 1 66 ASP QB 1 67 ALA H . . 4.340 2.724 2.514 3.032 . 0 0 "[ . 1 . 2]" 1
396 1 66 ASP QB 1 69 ARG H . . 5.500 4.499 4.423 4.576 . 0 0 "[ . 1 . 2]" 1
397 1 67 ALA H 1 67 ALA MB . . 3.230 2.222 2.168 2.273 . 0 0 "[ . 1 . 2]" 1
398 1 67 ALA H 1 69 ARG H . . 5.080 4.061 3.742 4.375 . 0 0 "[ . 1 . 2]" 1
399 1 68 ALA H 1 68 ALA MB . . 3.630 2.294 2.207 2.530 . 0 0 "[ . 1 . 2]" 1
400 1 68 ALA H 1 69 ARG H . . 3.220 2.573 1.825 2.868 . 0 0 "[ . 1 . 2]" 1
401 1 68 ALA MB 1 69 ARG H . . 4.610 3.204 2.708 3.508 . 0 0 "[ . 1 . 2]" 1
402 1 69 ARG H 1 70 ASP H . . 4.880 2.330 1.944 2.703 . 0 0 "[ . 1 . 2]" 1
403 1 69 ARG HA 1 70 ASP H . . 3.230 3.439 3.079 3.625 0.395 14 0 "[ . 1 . 2]" 1
404 1 69 ARG HA 1 70 ASP HA . . 4.400 4.546 4.193 4.815 0.415 14 0 "[ . 1 . 2]" 1
405 1 70 ASP H 1 70 ASP HB2 . . 4.040 2.848 2.067 3.395 . 0 0 "[ . 1 . 2]" 1
406 1 70 ASP H 1 71 MET H . . 4.440 2.402 1.888 3.080 . 0 0 "[ . 1 . 2]" 1
407 1 70 ASP HB2 1 71 MET H . . 4.050 3.733 2.893 4.085 0.035 7 0 "[ . 1 . 2]" 1
408 1 71 MET H 1 72 ASN HA . . 5.500 5.335 4.883 5.929 0.429 14 0 "[ . 1 . 2]" 1
409 1 71 MET H 1 74 LYS QB . . 5.500 6.536 5.433 7.813 2.313 20 18 "[****.** -**********+]" 1
410 1 71 MET HA 1 72 ASN H . . 3.170 3.205 2.226 3.436 0.266 4 0 "[ . 1 . 2]" 1
411 1 71 MET HA 1 72 ASN QB . . 4.670 5.123 4.636 5.479 0.809 19 11 "[* ** *-1** .***+2]" 1
412 1 71 MET HA 1 73 GLY H . . 4.270 5.930 4.101 6.471 2.201 6 18 "[*****+*- **** ******]" 1
413 1 71 MET QB 1 72 ASN H . . 5.010 3.501 2.622 4.126 . 0 0 "[ . 1 . 2]" 1
414 1 71 MET QB 1 74 LYS H . . 4.530 5.486 4.480 6.591 2.061 13 15 "[***-.* ***+ ******]" 1
415 1 71 MET QB 1 74 LYS QB . . 3.940 5.210 3.631 6.239 2.299 6 16 "[****.+ *******-***]" 1
416 1 72 ASN H 1 72 ASN QB . . 3.450 2.501 1.869 3.133 . 0 0 "[ . 1 . 2]" 1
417 1 72 ASN H 1 73 GLY H . . 3.410 4.409 3.039 4.683 1.273 18 18 "[******** -*** ***+**]" 1
418 1 72 ASN H 1 74 LYS H . . 4.850 4.794 3.918 5.995 1.145 1 2 "[+ . 1 - . 2]" 1
419 1 72 ASN HA 1 75 SER QB . . 3.180 9.136 8.453 9.905 6.725 9 20 [********+**********-] 1
420 1 72 ASN QB 1 73 GLY H . . 3.610 3.098 2.350 4.027 0.417 14 0 "[ . 1 . 2]" 1
421 1 73 GLY H 1 74 LYS H . . 3.120 2.998 1.838 3.533 0.413 20 0 "[ . 1 . 2]" 1
422 1 73 GLY H 1 74 LYS QB . . 4.330 5.124 3.820 5.766 1.436 20 17 "[****.** ****-*****+]" 1
423 1 73 GLY H 1 75 SER QB . . 5.500 8.028 7.168 8.624 3.124 13 20 [************+-******] 1
424 1 74 LYS H 1 74 LYS QB . . 3.190 2.568 2.173 3.010 . 0 0 "[ . 1 . 2]" 1
425 1 74 LYS H 1 77 ASP H . . 5.500 9.894 9.101 10.613 5.113 14 20 [************-+******] 1
426 1 74 LYS HA 1 76 LEU H . . 4.280 6.367 6.075 6.610 2.330 19 20 [************-*****+*] 1
427 1 74 LYS HA 1 77 ASP H . . 4.260 9.001 7.883 10.143 5.883 14 20 [*************+***-**] 1
428 1 74 LYS HA 1 77 ASP QB . . 3.520 10.358 9.488 11.048 7.528 14 20 [*************+***-**] 1
429 1 74 LYS HA 1 78 GLY H . . 4.700 8.655 7.773 10.304 5.604 14 20 [***********-*+******] 1
430 1 74 LYS QB 1 75 SER H . . 3.560 2.226 2.033 2.447 . 0 0 "[ . 1 . 2]" 1
431 1 74 LYS QB 1 75 SER HA . . 5.020 4.426 3.826 4.696 . 0 0 "[ . 1 . 2]" 1
432 1 74 LYS QB 1 75 SER QB . . 5.400 4.278 3.838 4.667 . 0 0 "[ . 1 . 2]" 1
433 1 74 LYS QB 1 77 ASP QB . . 5.440 8.734 7.828 9.559 4.119 14 20 [****-********+******] 1
434 1 75 SER H 1 75 SER QB . . 2.950 2.494 2.106 2.904 . 0 0 "[ . 1 . 2]" 1
435 1 75 SER H 1 76 LEU H . . 3.450 4.473 4.282 4.623 1.173 10 20 [*********+****-*****] 1
436 1 75 SER H 1 76 LEU QB . . 4.980 5.207 4.770 5.803 0.823 14 3 "[ -.* 1 +. 2]" 1
437 1 75 SER H 1 77 ASP H . . 3.920 6.711 5.619 7.935 4.015 14 20 [*************+***-**] 1
438 1 75 SER HA 1 78 GLY H . . 4.190 4.934 4.071 6.209 2.019 14 13 "[-** ** ** +*** **]" 1
439 1 75 SER HA 1 78 GLY QA . . 4.850 5.278 4.085 6.226 1.376 6 9 "[ * *+ ** *** - 2]" 1
440 1 75 SER QB 1 76 LEU H . . 3.440 3.006 2.568 3.497 0.057 15 0 "[ . 1 . 2]" 1
441 1 75 SER QB 1 76 LEU QB . . 5.020 4.789 4.336 5.057 0.037 11 0 "[ . 1 . 2]" 1
442 1 76 LEU H 1 76 LEU QB . . 3.300 2.673 2.332 2.839 . 0 0 "[ . 1 . 2]" 1
443 1 76 LEU H 1 76 LEU QD . . 4.200 3.973 3.765 4.124 . 0 0 "[ . 1 . 2]" 1
444 1 76 LEU H 1 76 LEU HG . . 4.870 4.684 4.434 5.187 0.317 19 0 "[ . 1 . 2]" 1
445 1 76 LEU H 1 78 GLY H . . 5.310 3.339 2.748 4.074 . 0 0 "[ . 1 . 2]" 1
446 1 76 LEU H 1 79 LYS H . . 5.270 2.572 2.342 3.352 . 0 0 "[ . 1 . 2]" 1
447 1 76 LEU HA 1 76 LEU QD . . 3.190 2.349 2.032 3.029 . 0 0 "[ . 1 . 2]" 1
448 1 76 LEU HA 1 76 LEU HG . . 3.890 2.807 2.227 3.780 . 0 0 "[ . 1 . 2]" 1
449 1 76 LEU HA 1 79 LYS H . . 3.790 4.561 4.305 5.991 2.201 18 20 [****************-+**] 1
450 1 76 LEU QB 1 77 ASP H . . 3.630 3.735 2.366 4.061 0.431 10 0 "[ . 1 . 2]" 1
451 1 76 LEU QD 1 77 ASP H . . 5.170 3.014 2.244 4.448 . 0 0 "[ . 1 . 2]" 1
452 1 76 LEU QD 1 77 ASP HA . . 5.500 4.325 3.566 5.185 . 0 0 "[ . 1 . 2]" 1
453 1 76 LEU QD 1 79 LYS H . . 5.480 4.778 4.256 6.257 0.777 18 1 "[ . 1 . + 2]" 1
454 1 76 LEU QD 1 80 ALA H . . 4.340 6.851 5.700 7.642 3.302 18 20 [*********-*******+**] 1
455 1 76 LEU HG 1 77 ASP HA . . 4.970 5.246 3.983 6.865 1.895 15 5 "[ . * 1-* + *2]" 1
456 1 76 LEU HG 1 80 ALA H . . 5.500 8.883 7.255 10.152 4.652 18 20 [****-************+**] 1
457 1 76 LEU HG 1 80 ALA MB . . 4.990 8.685 8.044 9.192 4.202 19 20 [****-*************+*] 1
458 1 77 ASP H 1 77 ASP QB . . 3.460 2.998 2.025 3.533 0.073 12 0 "[ . 1 . 2]" 1
459 1 77 ASP H 1 78 GLY H . . 3.630 2.766 1.665 3.256 . 0 0 "[ . 1 . 2]" 1
460 1 77 ASP HA 1 79 LYS H . . 4.620 4.578 4.340 5.191 0.571 6 1 "[ .+ 1 . 2]" 1
461 1 77 ASP HA 1 80 ALA H . . 3.840 8.850 8.531 9.334 5.494 6 20 [*****+***********-**] 1
462 1 77 ASP HA 1 80 ALA MB . . 4.680 8.983 8.477 9.291 4.611 9 20 [********+********-**] 1
463 1 77 ASP QB 1 78 GLY H . . 4.010 3.733 2.576 4.007 . 0 0 "[ . 1 . 2]" 1
464 1 78 GLY H 1 79 LYS H . . 3.380 2.425 1.922 2.881 . 0 0 "[ . 1 . 2]" 1
465 1 78 GLY QA 1 79 LYS H . . 3.440 2.969 2.763 3.068 . 0 0 "[ . 1 . 2]" 1
466 1 78 GLY QA 1 81 ILE H . . 3.940 7.191 6.516 8.107 4.167 10 20 [*********+*-********] 1
467 1 79 LYS HA 1 82 LYS H . . 4.230 8.846 8.360 9.705 5.475 5 20 [****+*****-*********] 1
468 1 80 ALA H 1 80 ALA MB . . 3.610 2.293 2.170 2.608 . 0 0 "[ . 1 . 2]" 1
469 1 80 ALA HA 1 83 VAL H . . 3.990 8.787 8.141 9.298 5.308 1 20 [+**************-****] 1
470 1 81 ILE H 1 82 LYS H . . 3.430 4.545 4.398 4.649 1.219 19 20 [**************-***+*] 1
471 1 81 ILE H 1 83 VAL H . . 4.800 7.097 5.976 7.545 2.745 11 20 [**********+****-****] 1
472 1 81 ILE HA 1 83 VAL H . . 4.050 6.318 5.476 6.633 2.583 9 20 [********+******-****] 1
473 1 82 LYS HA 1 85 GLN H . . 4.350 9.014 8.497 9.426 5.076 14 20 [*************+*-****] 1
474 1 82 LYS HA 1 85 GLN QB . . 3.570 10.495 10.085 10.834 7.264 1 20 [+***************-***] 1
475 1 82 LYS HA 1 85 GLN QE . . 5.500 11.653 9.421 12.322 6.822 9 20 [********+-**********] 1
476 1 84 GLU H 1 84 GLU HB2 . . 4.200 3.009 2.585 3.937 . 0 0 "[ . 1 . 2]" 1
477 1 84 GLU H 1 84 GLU HG2 . . 4.030 3.082 2.170 3.866 . 0 0 "[ . 1 . 2]" 1
478 1 84 GLU H 1 84 GLU HG3 . . 3.960 3.820 2.317 4.452 0.492 18 0 "[ . 1 . 2]" 1
479 1 84 GLU H 1 85 GLN H . . 3.310 4.336 4.191 4.432 1.122 10 20 [****-****+**********] 1
480 1 84 GLU HA 1 84 GLU HG2 . . 3.370 3.240 2.410 3.908 0.538 6 1 "[ .+ 1 . 2]" 1
481 1 84 GLU HA 1 84 GLU HG3 . . 3.920 3.824 3.331 4.091 0.171 1 0 "[ . 1 . 2]" 1
482 1 84 GLU HG2 1 85 GLN H . . 5.500 4.699 4.113 4.980 . 0 0 "[ . 1 . 2]" 1
483 1 84 GLU HG3 1 85 GLN H . . 5.380 4.449 3.297 4.962 . 0 0 "[ . 1 . 2]" 1
484 1 85 GLN H 1 85 GLN QB . . 2.950 2.578 2.338 3.098 0.148 7 0 "[ . 1 . 2]" 1
485 1 85 GLN HA 1 85 GLN HG2 . . 3.620 2.790 2.216 4.234 0.614 12 2 "[ . - 1 + . 2]" 1
486 1 85 GLN HA 1 85 GLN HG3 . . 3.560 3.336 2.713 3.914 0.354 1 0 "[ . 1 . 2]" 1
487 1 85 GLN QB 1 86 ALA H . . 3.550 3.379 2.517 3.818 0.268 16 0 "[ . 1 . 2]" 1
488 1 86 ALA H 1 86 ALA MB . . 3.040 2.289 2.136 2.565 . 0 0 "[ . 1 . 2]" 1
489 1 86 ALA H 1 87 THR H . . 3.380 3.791 2.875 4.255 0.875 9 8 "[ *. *+* **- *2]" 1
stop_
save_