Project name: d3cfe2efc86c51d [mutate: LN11B]

Status: done

Started: 2026-06-02 03:25:32
Chain sequence(s) A: EVQLVESGGGLVKPGGSLKLSCAASGYTFTSYVMHWVRQAPGKGLEWIGYINPYNDGTKYNEKFQGRVTISSDKSISTAYMELSSLRSEDTAMYYCARGTYYYGTRVFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPATLSLSPGERATLSCRSSKSLQNVNGNTYLYWFQQKPGQSPQLLIYRMSNLNSGVPDRFSGSGSGTEFTLTISSLEPEDFAVYYCMQHLEYPITFGAGTKLEIKSGGGGSEVQLVESGGALVKPGGSLRLSCAASGFTFTEAWMHWVRQAPGKQLEWVAQIKDRSQTYATYYAESVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCRGVYYANAPFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPLSLPVTPGEPASISCRSSQSLVHNTGNTYLSWYLQKPGQSPQSLIYKVSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCGQGTQAPFTFGSGTKVEIKGGGGDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVYTLPPCREEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFDDYAIGWFRQAPGKEREGVSCIRVSDGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGSLYTCVQSIVWPARPYYDMDYWGQGTLVTVSSEPKSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVCTLPPSREEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Mutated residues LN11B
Energy difference between WT (input) and mutated protein (by FoldX) 0.947415 kcal/mol
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:06:44)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:06:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:08)
Show buried residues

Minimal score value
-3.879
Maximal score value
1.5813
Average score
-0.698
Total score value
-765.008

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 E A -2.6267
2 V A -1.3468
3 Q A -1.4132
4 L A 0.0000
5 V A 0.6332
6 E A 0.0000
7 S A -0.2524
8 G A -0.6183
9 G A 0.0992
10 G A 0.8423
11 L A 1.2997
12 V A -0.2916
13 K A -1.9048
14 P A -1.8688
15 G A -1.4899
16 G A -1.1473
17 S A -1.2477
18 L A -1.0766
19 K A -2.1063
20 L A 0.0000
21 S A -0.4159
22 C A 0.0000
23 A A 0.5002
24 A A 0.0000
25 S A -0.5611
26 G A -1.4688
27 Y A -0.6886
28 T A -0.1628
29 F A 0.0000
30 T A -0.2170
31 S A 0.0000
32 Y A 0.5449
33 V A 0.0000
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A 0.0000
40 A A -0.8996
41 P A -0.9456
42 G A -1.4128
43 K A -2.0741
44 G A -1.0477
45 L A 0.0000
46 E A -0.5405
47 W A 0.0000
48 I A 0.0000
49 G A 0.0000
50 Y A 0.0000
51 I A 0.0000
52 N A 0.0000
53 P A 0.0000
54 Y A -0.3320
55 N A -1.5501
56 D A -2.0454
57 G A -1.4001
58 T A -1.1648
59 K A -1.4400
60 Y A -1.4804
61 N A -1.9160
62 E A -3.3627
63 K A -3.1669
64 F A 0.0000
65 Q A -2.7695
66 G A -1.6804
67 R A -1.5698
68 V A 0.0000
69 T A -0.9735
70 I A 0.0000
71 S A -0.7629
72 S A -0.7907
73 D A -0.8974
74 K A -0.9337
75 S A 0.0139
76 I A 1.3243
77 S A 0.2356
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6414
81 M A 0.0000
82 E A -1.5780
83 L A 0.0000
84 S A -1.1346
85 S A -1.1849
86 L A 0.0000
87 R A -2.6052
88 S A -2.0647
89 E A -2.0836
90 D A 0.0000
91 T A -0.3695
92 A A 0.0000
93 M A 0.5822
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 G A 0.0000
100 T A 0.4548
101 Y A 1.0853
102 Y A 0.7383
103 Y A 0.3880
104 G A 0.0000
105 T A -0.2321
106 R A -0.6213
107 V A 0.0000
108 F A 0.0000
109 D A -0.3216
110 Y A -0.1981
111 W A 0.0000
112 G A 0.0000
113 Q A -1.1165
114 G A 0.0000
115 T A 0.4290
116 L A 1.3311
117 V A 0.0000
118 T A 0.2227
119 V A 0.0000
120 S A -1.0161
121 S A -1.5443
122 G A -1.2538
123 G A -1.1546
124 G A -1.1634
125 G A -1.2425
126 S A -1.0214
127 G A -1.6051
128 G A -1.1968
129 G A -1.3322
130 G A -1.1908
131 S A -1.0333
132 G A -1.4818
133 G A -1.6313
134 G A -1.3164
135 G A -1.6193
136 S A -1.1440
137 D A -1.3655
138 I A 0.0000
139 V A 0.7884
140 M A 0.0000
141 T A -0.4682
142 Q A 0.0000
143 S A -0.5497
144 P A -0.2646
145 A A -0.1862
146 T A -0.4486
147 L A -0.1034
148 S A -0.2607
149 L A -0.1835
150 S A -0.8029
151 P A -0.9762
152 G A -1.1299
153 E A 0.0000
154 R A -0.7627
155 A A 0.0000
156 T A -0.0711
157 L A 0.0000
158 S A -0.8650
159 C A 0.0000
160 R A -2.5091
161 S A 0.0000
162 S A -1.1674
163 K A -2.2399
164 S A -1.6462
165 L A 0.0000
166 Q A -1.0631
167 N A -0.5570
168 V A -0.2544
169 N A -0.6158
170 G A -1.0246
171 N A -0.8839
172 T A 0.0000
173 Y A 0.0000
174 L A 0.0000
175 Y A 0.0000
176 W A 0.0000
177 F A 0.0000
178 Q A 0.0000
179 Q A 0.0000
180 K A -1.2432
181 P A -0.8703
182 G A -1.2936
183 Q A -1.7668
184 S A -1.2117
185 P A 0.0000
186 Q A -0.8845
187 L A 0.0000
188 L A 0.0000
189 I A 0.0000
190 Y A -0.3735
191 R A -0.7194
192 M A 0.0000
193 S A -0.3827
194 N A -0.5852
195 L A -0.2232
196 N A 0.0000
197 S A -0.4761
198 G A -0.6631
199 V A -0.4336
200 P A -0.6953
201 D A -0.9249
202 R A -0.8552
203 F A 0.0000
204 S A 0.0000
205 G A 0.0000
206 S A 0.0000
207 G A -0.9207
208 S A -1.0782
209 G A -1.4199
210 T A -2.0162
211 E A -2.5234
212 F A 0.0000
213 T A 0.0000
214 L A 0.0000
215 T A 0.0000
216 I A 0.0000
217 S A 0.0000
218 S A -0.9538
219 L A 0.0000
220 E A -1.8728
221 P A -1.3054
222 E A -1.9860
223 D A 0.0000
224 F A -0.5285
225 A A 0.0000
226 V A -0.2278
227 Y A 0.0000
228 Y A 0.0000
229 C A 0.0000
230 M A 0.0000
231 Q A 0.0000
232 H A 0.0000
233 L A 0.0000
234 E A -1.2413
235 Y A -0.6070
236 P A -1.0766
237 I A 0.0000
238 T A 0.1139
239 F A 0.3935
240 G A 0.0000
241 A A -0.2142
242 G A 0.0000
243 T A 0.0000
244 K A -0.7009
245 L A 0.0000
246 E A -0.4233
247 I A 0.8248
248 K A -0.7886
249 S A -0.7534
250 G A -1.0635
251 G A -1.3142
252 G A -1.4989
253 G A -1.7067
254 S A -1.6363
255 E A -2.3533
256 V A -1.2243
257 Q A -1.2341
258 L A 0.0000
259 V A 0.7475
260 E A 0.0000
261 S A -0.2163
262 G A -0.5613
263 G A 0.2606
264 A A 0.6503
265 L A 1.4232
266 V A -0.1720
267 K A -1.7816
268 P A -1.7259
269 G A -1.4373
270 G A -1.0732
271 S A -1.3795
272 L A -1.1180
273 R A -2.1538
274 L A 0.0000
275 S A -0.4498
276 C A 0.0000
277 A A -0.1944
278 A A 0.0000
279 S A -0.9529
280 G A -1.1188
281 F A 0.0000
282 T A -0.4124
283 F A 0.0000
284 T A -1.3384
285 E A -1.2982
286 A A 0.0000
287 W A -0.3166
288 M A 0.0000
289 H A 0.0000
290 W A 0.0000
291 V A 0.0000
292 R A 0.0000
293 Q A -0.7670
294 A A -1.1188
295 P A -0.8868
296 G A -1.5214
297 K A -2.3912
298 Q A -1.6700
299 L A 0.0000
300 E A -1.1622
301 W A 0.0000
302 V A 0.0000
303 A A 0.0000
304 Q A 0.0000
305 I A 0.0000
306 K A -0.7438
307 D A -1.5243
308 R A -2.3601
309 S A -1.5913
310 Q A -1.4689
311 T A -1.0082
312 Y A -0.5897
313 A A -0.2794
314 T A 0.2153
315 Y A 0.1504
316 Y A -0.6396
317 A A 0.0000
318 E A -2.6296
319 S A -2.0242
320 V A 0.0000
321 K A -2.4153
322 G A -1.7007
323 R A -1.6138
324 F A 0.0000
325 T A -0.7882
326 I A 0.0000
327 S A -0.2552
328 R A -0.9491
329 D A -1.2703
330 D A -1.6460
331 S A -1.4098
332 K A -2.2477
333 N A -1.5986
334 T A -0.9156
335 L A 0.0000
336 Y A -0.5613
337 L A 0.0000
338 Q A -1.2991
339 M A 0.0000
340 N A -1.5094
341 S A -1.2704
342 L A 0.0000
343 K A -2.2237
344 T A -1.9935
345 E A -2.4782
346 D A 0.0000
347 T A -0.3372
348 A A 0.0000
349 V A 0.7192
350 Y A 0.0000
351 Y A 0.0000
352 C A 0.0000
353 R A 0.0000
354 G A 0.0000
355 V A 0.0000
356 Y A 0.0000
357 Y A 0.0859
358 A A -0.0968
359 N A -0.3497
360 A A 0.0000
361 P A -0.0085
362 F A 0.0000
363 D A 0.0000
364 Y A -0.1940
365 W A -0.2274
366 G A 0.0000
367 Q A -1.1242
368 G A 0.0000
369 T A 0.5964
370 L A 1.5813
371 V A 0.0000
372 T A 0.3744
373 V A 0.0000
374 S A -1.0285
375 S A -1.3972
376 G A -1.2329
377 G A -1.1373
378 G A -1.1726
379 G A -1.2509
380 S A -1.0336
381 G A -1.6304
382 G A -1.4773
383 G A -1.3998
384 G A -1.4547
385 S A -1.0669
386 G A -1.5343
387 G A -1.6585
388 G A -1.2713
389 G A -1.5152
390 S A -1.2808
391 D A -1.2578
392 I A 0.0000
393 V A 1.2257
394 M A 0.0000
395 T A 0.4033
396 Q A 0.0000
397 S A -0.0462
398 P A 0.1175
399 L A 1.2662
400 S A 0.2377
401 L A -0.0498
402 P A -0.9670
403 V A 0.0000
404 T A -1.2604
405 P A -1.5472
406 G A -1.3125
407 E A -1.5123
408 P A -1.1226
409 A A 0.0000
410 S A -0.0452
411 I A 0.0000
412 S A 0.0000
413 C A 0.0000
414 R A -0.0696
415 S A 0.0000
416 S A -0.2840
417 Q A -0.7943
418 S A 0.0000
419 L A 0.0000
420 V A -0.8935
421 H A -1.5033
422 N A -1.9387
423 T A -1.3237
424 G A -1.5255
425 N A -0.9391
426 T A -0.5093
427 Y A 0.0000
428 L A 0.0000
429 S A 0.0000
430 W A 0.0000
431 Y A 0.0000
432 L A 0.0000
433 Q A -0.8500
434 K A -1.3517
435 P A -1.0692
436 G A -1.2929
437 Q A -1.7850
438 S A -1.2907
439 P A 0.0000
440 Q A -1.0692
441 S A 0.0000
442 L A 0.0000
443 I A 0.0000
444 Y A 0.0000
445 K A -0.3694
446 V A 0.0000
447 S A -0.3874
448 N A -0.4022
449 R A 0.0000
450 A A 0.0000
451 S A -0.5361
452 G A -1.0822
453 V A 0.0000
454 P A -1.2575
455 D A -2.2913
456 R A -1.6296
457 F A 0.0000
458 S A -0.6067
459 G A 0.0000
460 S A -0.2482
461 G A -0.3469
462 S A -0.2997
463 G A 0.0000
464 T A -0.3048
465 D A 0.0000
466 F A 0.0000
467 T A 0.0000
468 L A 0.0000
469 K A 0.0000
470 I A 0.0000
471 S A -1.5681
472 R A -2.3589
473 V A 0.0000
474 E A -2.0208
475 A A -1.4328
476 E A -2.1698
477 D A 0.0000
478 V A -0.8911
479 G A 0.0000
480 V A -0.1971
481 Y A 0.0000
482 Y A 0.0000
483 C A 0.0000
484 G A 0.0000
485 Q A 0.0000
486 G A -0.5149
487 T A -0.8574
488 Q A -1.2721
489 A A -0.6019
490 P A -0.8989
491 F A 0.0000
492 T A -0.1323
493 F A 0.0000
494 G A 0.0000
495 S A -0.2977
496 G A 0.0000
497 T A 0.0000
498 K A -0.5117
499 V A 0.0000
500 E A -1.4864
501 I A -1.3243
502 K A -2.1329
503 G A -1.7641
504 G A -1.5935
505 G A -2.0289
506 G A -2.1995
507 D A -3.1991
508 K A -3.0458
509 T A -1.8259
510 H A -1.5622
511 T A -0.6337
512 C A 0.3162
513 P A -0.0203
514 P A 0.1251
515 C A 0.6685
516 P A -0.5454
517 A A -0.3209
518 P A -0.9912
519 E A -1.5968
520 A A -0.7352
521 A A -0.5392
522 G A -0.7155
523 G A -0.7708
524 P A 0.0000
525 S A 0.0000
526 V A 0.0000
527 F A 0.0000
528 L A 0.0000
529 F A 0.0000
530 P A 0.0000
531 P A 0.0000
532 K A -1.2094
533 P A 0.0000
534 K A -1.0168
535 D A -1.4059
536 T A 0.0000
537 L A 0.0000
538 Y A 0.1110
539 I A 1.1085
540 T A -0.0948
541 R A -1.7379
542 E A -2.2576
543 P A 0.0000
544 E A -1.6017
545 V A 0.0000
546 T A -0.4308
547 C A 0.0000
548 V A 0.0000
549 V A 0.0000
550 V A 0.0000
551 D A -0.9218
552 V A 0.0000
553 S A -2.1183
554 H A -2.5601
555 E A -2.9467
556 D A -2.5444
557 P A -2.6665
558 E A -3.1622
559 V A -2.0474
560 K A -2.2488
561 F A -1.1810
562 N A -1.0944
563 W A 0.0000
564 Y A -0.6537
565 V A -0.9604
566 D A -2.1982
567 G A -0.9308
568 V A 0.5494
569 E A -0.6644
570 V A -0.5745
571 H A -1.8791
572 N A -2.1744
573 A A -1.9173
574 K A -2.4745
575 T A -2.0703
576 K A -2.4576
577 P A -2.5181
578 R A -3.6969
579 E A -3.5879
580 E A -3.0440
581 Q A 0.0000
582 Y A 0.1528
583 N A -0.2479
584 S A -0.8276
585 T A -1.5272
586 Y A 0.0000
587 R A -2.0914
588 V A 0.0000
589 V A 0.0000
590 S A 0.0000
591 V A 0.0000
592 L A 0.0000
593 T A -1.1578
594 V A 0.0000
595 L A 0.2660
596 H A 0.0000
597 Q A -1.0914
598 D A -1.3672
599 W A 0.0000
600 L A -0.9845
601 N A -1.9012
602 G A 0.0000
603 K A -2.1900
604 E A -2.3074
605 Y A 0.0000
606 K A -1.4121
607 C A 0.0000
608 K A -1.2502
609 V A 0.0000
610 S A -1.4152
611 N A 0.0000
612 K A -2.4681
613 A A -1.3202
614 L A -0.6116
615 A A -0.3791
616 A A -0.4783
617 P A -0.8594
618 I A -0.6914
619 E A -1.5053
620 K A -0.9489
621 T A -1.1232
622 I A 0.0000
623 S A -1.1858
624 K A 0.0000
625 A A -0.6153
626 K A -1.2390
627 G A -1.2786
628 Q A -1.9608
629 P A -1.5336
630 R A -1.8874
631 E A -2.5223
632 P A 0.0000
633 Q A -1.0910
634 V A 0.0000
635 Y A 0.0000
636 T A -0.7567
637 L A 0.0000
638 P A -0.3188
639 P A 0.0000
640 C A -1.3267
641 R A -2.5350
642 E A -2.6120
643 E A 0.0000
644 M A -1.8293
645 T A -1.6358
646 K A -2.2978
647 N A -2.4718
648 Q A -2.1679
649 V A 0.0000
650 S A 0.0000
651 L A 0.0000
652 W A 0.0000
653 C A 0.0000
654 L A 0.0000
655 V A 0.0000
656 K A -0.5627
657 G A -0.9817
658 F A 0.0000
659 Y A 0.0000
660 P A 0.0000
661 S A -0.0883
662 D A -0.3927
663 I A 0.0000
664 A A -0.4166
665 V A 0.0000
666 E A -1.3361
667 W A 0.0000
668 E A -1.8745
669 S A 0.0000
670 N A -1.8460
671 G A -1.7623
672 Q A -2.2761
673 P A -1.9310
674 E A 0.0000
675 N A -2.0837
676 N A -1.5133
677 Y A -1.0680
678 K A -1.0010
679 T A -0.4032
680 T A 0.0000
681 P A 0.0000
682 P A 0.0000
683 V A 0.0546
684 L A -0.1394
685 D A -0.5435
686 S A -1.2426
687 D A -1.9043
688 G A 0.0000
689 S A 0.0000
690 F A -0.0253
691 F A 0.0000
692 L A 0.0000
693 Y A 0.0000
694 S A 0.0000
695 K A 0.0000
696 L A 0.0000
697 T A -0.8282
698 V A 0.0000
699 D A -2.2212
700 K A -2.4342
701 S A -2.1048
702 R A -1.8615
703 W A 0.0000
704 Q A -2.3356
705 Q A -2.1146
706 G A -1.1805
707 N A -0.8093
708 V A 0.2579
709 F A 0.0000
710 S A -1.0961
711 C A 0.0000
712 S A 0.0000
713 V A 0.0000
714 M A 0.0000
715 H A 0.0000
716 E A -0.9945
717 A A -1.4798
718 L A -1.4213
719 H A -1.7916
720 N A -1.4771
721 H A -1.0183
722 Y A -0.7136
723 T A -0.9852
724 Q A -1.5915
725 K A -1.2032
726 S A -0.5658
727 L A 0.0000
728 S A -0.1432
729 L A -0.4084
730 S A -0.7426
731 P A -1.2307
732 G A -1.4374
733 K A -2.0286
1 E B -1.9809
2 V B -1.1486
3 Q B -0.8140
4 L B 0.0000
5 L B 0.0000
6 E B 0.0000
7 S B 0.0000
8 G B -0.5830
9 G B -0.1328
10 G B -0.4594
11 N B -1.2828 mutated: LN11B
12 V B -1.2984
13 Q B -2.1857
14 P B -1.9954
15 G B -1.2349
16 G B -1.2241
17 S B -1.0904
18 L B -0.9932
19 R B -1.3060
20 L B 0.0000
21 S B 0.0000
22 C B 0.0000
23 A B 0.0000
24 A B 0.0000
25 S B -0.6440
26 G B -1.1358
27 F B 0.0000
28 T B 0.0000
29 F B 0.0000
30 D B 0.0000
31 D B 0.0000
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56 G B -1.4810
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167 L B 0.0000
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170 T B 0.0000
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173 P B 0.0000
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199 E B -0.5776
200 V B -0.4446
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204 K B -2.6655
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206 K B -2.9868
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208 R B -3.8780
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211 Q B 0.0000
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331 S B -2.1173
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335 Q B -2.0787
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341 C B 0.0000
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345 H B 0.0000
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347 A B -1.4595
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349 H B -1.7680
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353 T B -0.6858
354 Q B -1.0648
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356 S B -0.4420
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358 S B -0.0700
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361 P B -1.2267
362 G B -1.4234
363 K B -2.0324
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