Project name: Adu1

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	H,C,L,D
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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 minimalization                                        (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:24:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:11)

• Minimal score value: -2.4692
• Maximal score value: 2.0272
• Average score: -0.3092
• Total score value: -411.9082

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	Q	H	-1.0929
2	V	H	0.1737
3	Q	H	-0.5958
4	L	H	0.0000
5	V	H	1.7373
6	E	H	0.0867
7	S	H	-0.2935
8	G	H	-0.3195
9	G	H	-0.2469
10	G	H	-0.0569
11	V	H	0.6598
12	V	H	0.2247
13	Q	H	-0.4681
14	P	H	-0.3217
15	G	H	-0.8137
16	R	H	-1.8523
17	S	H	-0.5186
18	L	H	-0.0672
19	R	H	-1.2723
20	L	H	0.0000
21	S	H	-0.0336
22	C	H	0.0000
23	A	H	0.0282
24	A	H	0.0000
25	S	H	-0.2741
26	G	H	-0.3586
27	F	H	0.2410
28	A	H	0.1154
29	F	H	0.0000
30	S	H	-0.1418
31	S	H	-0.0668
32	Y	H	0.0610
33	G	H	0.0501
34	M	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.1667
40	A	H	-0.0676
41	P	H	-0.3373
42	G	H	-0.8127
43	K	H	-1.8098
44	G	H	-0.4591
45	L	H	0.0000
46	E	H	-0.7351
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	0.0000
52A	F	H	0.2172
53	D	H	-1.7125
54	G	H	-0.4443
55	T	H	-0.2673
56	K	H	-1.1508
57	K	H	-0.9026
58	Y	H	0.2974
59	Y	H	0.2917
60	T	H	-0.2839
61	D	H	-1.8065
62	S	H	-0.4095
63	V	H	0.0000
64	K	H	-1.7838
65	G	H	-0.7720
66	R	H	0.0000
67	F	H	0.0000
68	T	H	-0.0414
69	I	H	0.0000
70	S	H	-0.0902
71	R	H	-0.3200
72	D	H	-0.6279
73	N	H	-0.6508
74	S	H	-0.5925
75	K	H	-1.8620
76	N	H	-1.0572
77	T	H	0.0000
78	L	H	0.0000
79	Y	H	0.1436
80	L	H	0.0000
81	Q	H	-0.4238
82	M	H	0.0000
82A	N	H	-0.6563
82B	T	H	-0.2547
82C	L	H	0.0000
83	R	H	-1.0407
84	A	H	-0.4582
85	E	H	-1.8101
86	D	H	0.0000
87	T	H	-0.0092
88	A	H	0.0000
89	V	H	0.4873
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.2122
95	D	H	0.0000
96	R	H	-0.9807
97	G	H	0.0000
98	I	H	0.3704
99	G	H	-0.4177
100	A	H	-0.3563
100A	R	H	-1.9266
100B	R	H	-0.8492
100C	G	H	-0.1599
100D	P	H	0.0000
100E	Y	H	0.1689
100F	Y	H	0.1554
100G	M	H	0.0000
101	D	H	-0.2883
102	V	H	0.2103
103	W	H	0.1682
104	G	H	0.0000
105	K	H	-1.7000
106	G	H	0.0000
107	T	H	-0.0202
108	T	H	-0.0022
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.0761
113	S	H	-0.1472
114	A	H	-0.0152
115	S	H	-0.2115
116	T	H	-0.2773
117	K	H	-1.2146
118	G	H	-0.3758
119	P	H	-0.0620
120	S	H	-0.0148
121	V	H	0.2101
122	F	H	0.2295
123	P	H	-0.0068
124	L	H	0.0000
125	A	H	0.0035
126	P	H	-0.0474
127	S	H	-0.1712
128	S	H	-0.5413
129	K	H	-1.7768
130	S	H	-0.5333
131	T	H	-0.1469
132	S	H	-0.3091
133	G	H	-0.5887
134	G	H	-0.5627
135	T	H	-0.1864
136	A	H	-0.0116
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.5098
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.2090
148	E	H	-1.0730
149	P	H	-0.4829
150	V	H	0.1475
151	T	H	-0.0018
152	V	H	0.1462
153	S	H	-0.0429
154	W	H	0.0000
155	N	H	-0.2568
156	S	H	-0.3357
157	G	H	-0.4942
158	A	H	0.0128
159	L	H	0.2027
160	T	H	-0.0719
161	S	H	-0.2833
162	G	H	-0.3012
163	V	H	0.2509
164	H	H	-0.0497
165	T	H	-0.0504
166	F	H	0.0000
167	P	H	-0.1538
168	A	H	0.0406
169	V	H	0.3872
170	L	H	0.7136
171	Q	H	-0.0790
172	S	H	-0.2809
173	S	H	-0.2751
174	G	H	-0.1292
175	L	H	0.2321
176	Y	H	0.0000
177	S	H	0.0000
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	0.0185
184	V	H	0.1232
185	P	H	-0.2448
186	S	H	-0.1579
187	S	H	-0.2305
188	S	H	-0.0360
189	L	H	0.1000
190	G	H	-0.4447
191	T	H	-0.3237
192	Q	H	-0.9782
193	T	H	-0.2448
194	Y	H	0.0000
195	I	H	0.1526
196	C	H	0.0000
197	N	H	-0.2670
198	V	H	0.0000
199	N	H	-0.4711
200	H	H	0.0000
201	K	H	-1.8920
202	P	H	-0.4561
203	S	H	-0.3165
204	N	H	-1.5105
205	T	H	-0.5621
206	K	H	-1.6579
207	V	H	-0.0812
208	D	H	-1.0985
209	K	H	-0.8842
210	R	H	-1.8386
211	V	H	0.0000
212	E	H	-1.8390
213	P	H	-0.7381
214	K	H	-1.7581
215	S	H	-0.4198
216	C	H	0.2010
217	D	H	-1.9953
218	K	H	-2.0369
219	T	H	-0.5479
220	H	H	-1.0026
221	T	H	0.0000
222	C	H	0.4811
223	P	H	-0.2053
224	P	H	-0.1696
225	C	H	0.6416
226	P	H	-0.1224
227	A	H	-0.0627
228	P	H	-0.5760
229	E	H	-1.8551
230	A	H	-0.2562
231	A	H	-0.0157
232	G	H	-0.4681
233	G	H	-0.1530
234	P	H	0.0000
235	S	H	-0.0659
236	V	H	0.0000
237	F	H	1.1741
238	L	H	0.5816
239	F	H	1.0579
240	P	H	-0.0125
241	P	H	0.0000
242	K	H	-1.7058
243	P	H	-0.4035
244	K	H	-0.4159
245	D	H	0.0000
246	T	H	0.0000
247	L	H	0.1703
248	M	H	0.5074
249	I	H	1.9956
250	S	H	-0.1722
251	R	H	-1.8106
252	T	H	-0.3910
253	P	H	0.0000
254	E	H	-1.1038
255	V	H	0.0000
256	T	H	0.0099
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	0.0675
261	D	H	-1.0657
262	V	H	0.0000
263	S	H	-0.1030
264	H	H	-0.7422
265	E	H	-1.9513
266	D	H	-0.6552
267	P	H	-0.4209
268	E	H	-1.7787
269	V	H	-0.3694
270	K	H	-1.6079
271	F	H	-0.1352
272	N	H	-0.3667
273	W	H	0.0000
274	Y	H	0.0258
275	V	H	-0.0512
276	D	H	-1.8326
277	G	H	-0.4498
278	V	H	1.4647
279	E	H	-0.8349
280	V	H	-0.0496
281	H	H	-1.1523
282	N	H	-1.4462
283	A	H	-0.5235
284	K	H	-1.7107
285	T	H	-0.6072
286	K	H	-1.3147
287	P	H	-0.7125
288	R	H	-1.6684
289	E	H	-2.3867
290	E	H	-2.1698
291	Q	H	-0.2779
292	Y	H	1.2239
293	N	H	-0.0942
294	S	H	-0.1041
295	T	H	0.0000
296	Y	H	-0.3142
297	R	H	-1.3574
298	V	H	0.0000
299	V	H	0.1857
300	S	H	0.0000
301	V	H	0.1869
302	L	H	0.0000
303	T	H	-0.2013
304	V	H	0.0000
305	L	H	1.1419
306	H	H	-0.1791
307	Q	H	-1.3189
308	D	H	-0.7064
309	W	H	0.0000
310	L	H	0.1475
311	N	H	-1.2259
312	G	H	-0.4356
313	K	H	-0.7732
314	E	H	-1.1375
315	Y	H	0.0000
316	K	H	-0.3695
317	C	H	0.0000
318	K	H	-0.7127
319	V	H	0.0000
320	S	H	-0.0730
321	N	H	0.0000
322	K	H	-1.6977
323	A	H	-0.2898
324	L	H	0.0000
325	P	H	-0.1398
326	A	H	-0.0156
327	P	H	-0.1708
328	I	H	0.0966
329	E	H	-1.7633
330	K	H	-1.0218
331	T	H	-0.1781
332	I	H	0.2986
333	S	H	-0.1590
334	K	H	-0.2018
335	A	H	-0.2971
336	K	H	-1.7765
337	G	H	-0.9907
338	Q	H	-1.3039
339	P	H	-0.4984
340	R	H	-1.0628
341	E	H	-1.1895
342	P	H	0.0000
343	Q	H	-0.3692
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.1768
349	P	H	-0.0643
350	S	H	-0.3609
351	R	H	-2.1297
352	E	H	-1.8959
353	E	H	0.0000
354	M	H	0.2323
355	T	H	-0.1961
356	K	H	-1.1950
357	N	H	-1.5452
358	Q	H	-1.0075
359	V	H	0.0000
360	S	H	0.0000
361	L	H	0.0000
362	T	H	0.0000
363	C	H	0.0000
364	L	H	0.0000
365	V	H	0.0000
366	K	H	-0.1682
367	G	H	0.0000
368	F	H	0.0000
369	Y	H	0.3507
370	P	H	0.0000
371	S	H	-0.2149
372	D	H	-0.7756
373	I	H	0.0000
374	A	H	0.0421
375	V	H	0.1126
376	E	H	-0.4221
377	W	H	0.0000
378	E	H	-0.5857
379	S	H	0.0000
380	N	H	-1.3563
381	G	H	-0.9052
382	Q	H	-1.3262
383	P	H	-0.5905
384	E	H	-0.5575
385	N	H	-1.4078
386	N	H	-0.6962
387	Y	H	0.0228
388	K	H	-0.8079
389	T	H	-0.1730
390	T	H	0.0000
391	P	H	-0.1808
392	P	H	-0.0843
393	V	H	0.3384
394	L	H	0.8727
395	D	H	-0.0721
396	S	H	-0.5631
397	D	H	-1.8652
398	G	H	-0.5324
399	S	H	0.0000
400	F	H	0.3683
401	F	H	0.0000
402	L	H	0.0000
403	Y	H	0.0000
404	S	H	0.0000
405	K	H	0.0000
406	L	H	0.0000
407	T	H	-0.0091
408	V	H	0.0000
409	D	H	-1.3273
410	K	H	-0.7804
411	S	H	-0.4103
412	R	H	-0.6716
413	W	H	0.0000
414	Q	H	-1.4118
415	Q	H	-1.4599
416	G	H	-0.5237
417	N	H	0.0193
418	V	H	1.5806
419	F	H	0.0000
420	S	H	-0.0544
421	C	H	0.0000
422	S	H	0.0000
423	V	H	0.0000
424	M	H	0.0000
425	H	H	0.0000
426	E	H	-0.3661
427	A	H	-0.1459
428	L	H	-0.0563
429	H	H	-1.1856
430	N	H	-1.5076
431	H	H	-0.4448
432	Y	H	0.4650
433	T	H	-0.1195
434	Q	H	-1.1701
435	K	H	-0.6259
436	S	H	-0.2869
437	L	H	0.0000
438	S	H	0.2019
439	L	H	0.4941
440	S	H	-0.1601
441	P	H	-0.3761
442	G	H	-0.5122
1	D	L	-1.7894
2	I	L	0.0000
3	Q	L	-1.1983
4	M	L	0.0000
5	T	L	-0.0918
6	Q	L	-0.1540
7	S	L	-0.1991
8	P	L	-0.1979
9	S	L	-0.2458
10	S	L	-0.2088
11	L	L	0.1977
12	S	L	-0.0951
13	A	L	0.0000
14	S	L	0.2747
15	V	L	1.7085
16	G	L	-0.1611
17	D	L	-1.3413
18	R	L	-2.0369
19	V	L	0.0000
20	T	L	-0.0729
21	I	L	0.0000
22	T	L	-0.0439
23	C	L	0.0000
24	R	L	-1.7894
25	A	L	0.0000
26	S	L	-0.3272
27	Q	L	-1.2566
28	S	L	-0.4426
29	I	L	0.0000
30	S	L	-0.1204
31	S	L	-0.0477
32	Y	L	0.3098
33	L	L	0.0000
34	N	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-0.5343
40	P	L	-0.4251
41	G	L	-0.8134
42	K	L	-1.7804
43	A	L	-0.2983
44	P	L	0.0000
45	K	L	-1.5478
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.2357
50	A	L	0.0556
51	A	L	0.0000
52	S	L	-0.2136
53	S	L	-0.0384
54	L	L	0.4275
55	Q	L	-0.1433
56	S	L	-0.3312
57	G	L	-0.4685
58	V	L	0.0996
59	P	L	-0.1273
60	S	L	-0.2867
61	R	L	-0.3279
62	F	L	0.0000
63	S	L	-0.1475
64	G	L	-0.1588
65	S	L	-0.2945
66	G	L	-0.3619
67	S	L	-0.2868
68	G	L	-0.2002
69	T	L	-0.3548
70	D	L	-1.9534
71	F	L	0.0000
72	T	L	-0.0212
73	L	L	0.0000
74	T	L	-0.0252
75	I	L	0.0000
76	S	L	-0.3197
77	S	L	-0.3157
78	L	L	0.0000
79	Q	L	-0.4400
80	P	L	-0.6494
81	E	L	-1.8654
82	D	L	0.0000
83	F	L	0.2853
84	A	L	0.0000
85	T	L	-0.1898
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	S	L	0.0000
92	Y	L	1.2094
93	S	L	0.1076
94	T	L	-0.0621
95	P	L	-0.0573
96	L	L	0.0000
97	T	L	-0.0114
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-0.4663
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.1776
104	V	L	0.0000
105	E	L	0.0000
106	I	L	0.2482
107	K	L	-1.6903
108	R	L	-2.1183
109	T	L	-0.2220
110	V	L	1.0812
111	A	L	0.2144
112	A	L	0.0156
113	P	L	0.0000
114	S	L	-0.1710
115	V	L	0.0000
116	F	L	0.2798
117	I	L	0.2631
118	F	L	0.0000
119	P	L	-0.0581
120	P	L	0.0000
121	S	L	0.0000
122	D	L	-1.9802
123	E	L	-1.3812
124	Q	L	0.0000
125	L	L	-0.0836
126	K	L	-1.6992
127	S	L	-0.5547
128	G	L	-0.3316
129	T	L	-0.0801
130	A	L	0.0000
131	S	L	0.0000
132	V	L	0.0000
133	V	L	0.0000
134	C	L	0.0000
135	L	L	0.0000
136	L	L	0.0000
137	N	L	0.0000
138	N	L	-0.3234
139	F	L	0.0000
140	Y	L	0.0000
141	P	L	-0.1645
142	R	L	-1.0468
143	E	L	-1.9445
144	A	L	-0.6215
145	K	L	-1.6974
146	V	L	0.0000
147	Q	L	-0.3504
148	W	L	0.0000
149	K	L	-0.3537
150	V	L	0.0000
151	D	L	-0.6598
152	N	L	-1.3947
153	A	L	0.0325
154	L	L	1.1553
155	Q	L	-0.0472
156	S	L	-0.3386
157	G	L	-0.5480
158	N	L	-0.3352
159	S	L	-0.2290
160	Q	L	-1.0476
161	E	L	-1.5135
162	S	L	-0.1659
163	V	L	0.5883
164	T	L	-0.2275
165	E	L	-1.8549
166	Q	L	-0.5862
167	D	L	-0.4713
168	S	L	-0.5895
169	K	L	-1.9207
170	D	L	-1.3369
171	S	L	-0.2599
172	T	L	0.0000
173	Y	L	0.0000
174	S	L	0.0000
175	L	L	0.0000
176	S	L	0.0000
177	S	L	0.0000
178	T	L	-0.0075
179	L	L	0.0000
180	T	L	0.0272
181	L	L	0.2270
182	S	L	-0.1950
183	K	L	-0.7265
184	A	L	-0.2157
185	D	L	-0.7161
186	Y	L	0.0000
187	E	L	-1.2762
188	K	L	-1.9213
189	H	L	-0.8809
190	K	L	-1.8415
191	V	L	0.1937
192	Y	L	0.0000
193	A	L	0.0000
194	C	L	0.0000
195	E	L	-0.2931
196	V	L	0.0000
197	T	L	-0.0669
198	H	L	0.0000
199	Q	L	-1.2339
200	G	L	-0.3681
201	L	L	0.1491
202	S	L	-0.2108
203	S	L	-0.2851
204	P	L	-0.1649
205	V	L	0.3540
206	T	L	-0.1604
207	K	L	-0.8170
208	S	L	-0.2206
209	F	L	0.0000
210	N	L	-0.8436
211	R	L	-1.7373
212	G	L	-1.0394
213	E	L	-1.7718
214	C	L	0.4047
1	Q	C	-1.0951
2	V	C	0.1570
3	Q	C	-0.6240
4	L	C	0.0000
5	V	C	1.7377
6	E	C	0.0889
7	S	C	-0.2902
8	G	C	-0.3035
9	G	C	-0.2461
10	G	C	-0.0111
11	V	C	0.9192
12	V	C	0.2371
13	Q	C	-0.8864
14	P	C	-0.4679
15	G	C	-0.8442
16	R	C	-1.9549
17	S	C	-0.5294
18	L	C	-0.0653
19	R	C	-1.2786
20	L	C	0.0000
21	S	C	-0.0288
22	C	C	0.0000
23	A	C	0.0225
24	A	C	0.0000
25	S	C	-0.2972
26	G	C	-0.3730
27	F	C	0.1943
28	A	C	0.1069
29	F	C	0.0000
30	S	C	-0.1316
31	S	C	-0.0648
32	Y	C	0.0616
33	G	C	0.0504
34	M	C	0.0000
35	H	C	0.0000
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	-0.1648
40	A	C	-0.0667
41	P	C	-0.3372
42	G	C	-0.8128
43	K	C	-1.8096
44	G	C	-0.4582
45	L	C	0.0000
46	E	C	-0.7584
47	W	C	0.0000
48	V	C	0.0000
49	A	C	0.0000
50	V	C	0.0000
51	I	C	0.0000
52	W	C	0.0000
52A	F	C	0.2117
53	D	C	-1.7135
54	G	C	-0.4444
55	T	C	-0.2516
56	K	C	-1.0611
57	K	C	-0.8730
58	Y	C	0.3474
59	Y	C	0.2921
60	T	C	0.0000
61	D	C	-1.8052
62	S	C	-0.4090
63	V	C	0.0000
64	K	C	-1.7839
65	G	C	-0.7722
66	R	C	0.0000
67	F	C	0.0000
68	T	C	-0.0410
69	I	C	0.0000
70	S	C	-0.0905
71	R	C	-0.3314
72	D	C	-0.6919
73	N	C	-0.6444
74	S	C	-0.5944
75	K	C	-1.8209
76	N	C	-0.8276
77	T	C	-0.0891
78	L	C	0.0000
79	Y	C	0.2015
80	L	C	0.0000
81	Q	C	-0.4261
82	M	C	0.0000
82A	N	C	-0.6017
82B	T	C	-0.2361
82C	L	C	0.0000
83	R	C	-1.0455
84	A	C	-0.4556
85	E	C	-1.8095
86	D	C	0.0000
87	T	C	-0.0139
88	A	C	0.0000
89	V	C	0.4847
90	Y	C	0.0000
91	Y	C	0.0000
92	C	C	0.0000
93	A	C	0.0000
94	R	C	-0.2111
95	D	C	0.0000
96	R	C	-0.9858
97	G	C	0.0000
98	I	C	0.3872
99	G	C	-0.4145
100	A	C	-0.3562
100A	R	C	-1.9262
100B	R	C	-0.8431
100C	G	C	-0.1518
100D	P	C	0.0000
100E	Y	C	0.1720
100F	Y	C	0.1559
100G	M	C	0.0000
101	D	C	-0.2902
102	V	C	0.2087
103	W	C	0.1680
104	G	C	0.0000
105	K	C	-1.7000
106	G	C	0.0000
107	T	C	-0.0204
108	T	C	-0.0026
109	V	C	0.0000
110	T	C	0.0936
111	V	C	0.0000
112	S	C	-0.1284
113	S	C	-0.3046
114	A	C	-0.0487
115	S	C	-0.2224
116	T	C	-0.2843
117	K	C	-1.0214
118	G	C	-0.3436
119	P	C	0.0000
120	S	C	-0.0873
121	V	C	0.0000
122	F	C	0.1910
123	P	C	0.0007
124	L	C	0.0000
125	A	C	0.0086
126	P	C	0.0000
127	S	C	-0.0803
128	S	C	-0.2896
129	K	C	-0.4343
130	S	C	0.0000
131	T	C	-0.0186
132	S	C	-0.2038
133	G	C	-0.5606
134	G	C	-0.5623
135	T	C	-0.1792
136	A	C	0.0000
137	A	C	0.0000
138	L	C	0.0000
139	G	C	0.0000
140	C	C	0.0000
141	L	C	0.0000
142	V	C	0.0000
143	K	C	0.0000
144	D	C	-0.6445
145	Y	C	0.0000
146	F	C	0.0000
147	P	C	-0.2512
148	E	C	-1.2949
149	P	C	-0.5591
150	V	C	0.1218
151	T	C	-0.0041
152	V	C	0.1664
153	S	C	-0.0329
154	W	C	0.0000
155	N	C	-0.3751
156	S	C	-0.3568
157	G	C	-0.4942
158	A	C	0.0243
159	L	C	0.2665
160	T	C	-0.0605
161	S	C	-0.2658
162	G	C	-0.1984
163	V	C	0.2933
164	H	C	-0.0645
165	T	C	-0.0705
166	F	C	0.0000
167	P	C	-0.1837
168	A	C	0.0280
169	V	C	0.4730
170	L	C	1.2201
171	Q	C	0.0445
172	S	C	-0.2750
173	S	C	-0.2718
174	G	C	-0.1267
175	L	C	0.1488
176	Y	C	0.0000
177	S	C	0.0000
178	L	C	0.0000
179	S	C	0.0000
180	S	C	0.0000
181	V	C	0.0000
182	V	C	0.0000
183	T	C	-0.0115
184	V	C	0.0000
185	P	C	-0.2741
186	S	C	-0.1505
187	S	C	-0.2302
188	S	C	-0.0306
189	L	C	0.1676
190	G	C	-0.4329
191	T	C	-0.3356
192	Q	C	-1.0292
193	T	C	-0.2300
194	Y	C	0.1895
195	I	C	0.1513
196	C	C	0.0000
197	N	C	-0.3071
198	V	C	0.0000
199	N	C	-0.8203
200	H	C	0.0000
201	K	C	-1.8561
202	P	C	-0.3789
203	S	C	-0.2878
204	N	C	-1.4758
205	T	C	-0.5499
206	K	C	-1.6391
207	V	C	0.2800
208	D	C	-1.0258
209	K	C	-1.0805
210	R	C	-1.8941
211	V	C	0.0000
212	E	C	-1.4760
213	P	C	-0.5291
214	K	C	-1.3545
215	S	C	-0.3789
216	C	C	0.1658
217	D	C	-1.1968
218	K	C	-1.8829
219	T	C	-0.5438
220	H	C	-1.0124
221	T	C	-0.1429
222	C	C	0.4428
223	P	C	-0.2124
224	P	C	-0.1697
225	C	C	0.6416
226	P	C	-0.1163
227	A	C	-0.0324
228	P	C	-0.5722
229	E	C	-1.8552
230	A	C	-0.2606
231	A	C	-0.0138
232	G	C	-0.4855
233	G	C	-0.2483
234	P	C	0.0000
235	S	C	-0.1043
236	V	C	0.0000
237	F	C	1.3626
238	L	C	0.6608
239	F	C	1.4326
240	P	C	0.0426
241	P	C	0.0000
242	K	C	-1.7095
243	P	C	-0.4186
244	K	C	-0.3850
245	D	C	0.0000
246	T	C	0.0000
247	L	C	0.2666
248	M	C	0.6920
249	I	C	2.0272
250	S	C	-0.0139
251	R	C	-0.9400
252	T	C	-0.2323
253	P	C	0.0000
254	E	C	-0.7287
255	V	C	0.0000
256	T	C	-0.0122
257	C	C	0.0000
258	V	C	0.2237
259	V	C	0.0000
260	V	C	-0.0467
261	D	C	-1.0502
262	V	C	0.0000
263	S	C	-0.0881
264	H	C	-0.3414
265	E	C	-0.4317
266	D	C	-0.5150
267	P	C	-0.4427
268	E	C	-1.7802
269	V	C	-0.3771
270	K	C	-1.6061
271	F	C	-0.0751
272	N	C	-0.1211
273	W	C	0.0000
274	Y	C	-0.0172
275	V	C	-0.0194
276	D	C	-1.8249
277	G	C	-0.4559
278	V	C	1.5179
279	E	C	-0.5592
280	V	C	-0.0397
281	H	C	-1.1595
282	N	C	-1.4460
283	A	C	-0.5201
284	K	C	-1.7090
285	T	C	-0.6063
286	K	C	-1.3403
287	P	C	-0.7981
288	R	C	-2.1272
289	E	C	-2.4692
290	E	C	-2.1725
291	Q	C	-0.2117
292	Y	C	1.0815
293	N	C	-0.9998
294	S	C	-0.4239
295	T	C	-0.0468
296	Y	C	0.0000
297	R	C	-0.6226
298	V	C	0.0000
299	V	C	0.2752
300	S	C	0.0000
301	V	C	0.0000
302	L	C	0.0000
303	T	C	-0.1444
304	V	C	0.0000
305	L	C	1.0403
306	H	C	-0.1856
307	Q	C	-1.3031
308	D	C	-0.6396
309	W	C	0.0000
310	L	C	0.0529
311	N	C	-1.2482
312	G	C	-0.4791
313	K	C	-0.8566
314	E	C	-1.2062
315	Y	C	0.0000
316	K	C	-0.4680
317	C	C	0.0000
318	K	C	-0.6907
319	V	C	0.0000
320	S	C	-0.0780
321	N	C	0.0000
322	K	C	-1.3321
323	A	C	-0.1773
324	L	C	0.1316
325	P	C	-0.2163
326	A	C	-0.0200
327	P	C	-0.0415
328	I	C	0.0952
329	E	C	-1.9180
330	K	C	-0.9921
331	T	C	-0.1910
332	I	C	0.2648
333	S	C	-0.1384
334	K	C	-0.1736
335	A	C	-0.3008
336	K	C	-1.7777
337	G	C	-0.9902
338	Q	C	-1.3013
339	P	C	-0.4264
340	R	C	-0.9083
341	E	C	-1.9242
342	P	C	0.0000
343	Q	C	-0.4384
344	V	C	0.0000
345	Y	C	0.0000
346	T	C	-0.0069
347	L	C	0.0000
348	P	C	-0.1046
349	P	C	0.0000
350	S	C	-0.3519
351	R	C	-2.1745
352	E	C	-2.1509
353	E	C	0.0000
354	M	C	0.1781
355	T	C	-0.1981
356	K	C	-1.1548
357	N	C	-1.6100
358	Q	C	-1.3895
359	V	C	0.0000
360	S	C	0.0000
361	L	C	0.0000
362	T	C	0.0000
363	C	C	0.0000
364	L	C	0.0000
365	V	C	0.0000
366	K	C	-0.1847
367	G	C	0.0000
368	F	C	0.0000
369	Y	C	0.1584
370	P	C	0.0000
371	S	C	-0.1863
372	D	C	-0.7187
373	I	C	0.0000
374	A	C	0.0065
375	V	C	0.0000
376	E	C	-0.5052
377	W	C	0.0000
378	E	C	-0.4468
379	S	C	0.0000
380	N	C	-1.3562
381	G	C	-0.9048
382	Q	C	-1.3260
383	P	C	-0.5710
384	E	C	-0.5698
385	N	C	-1.4054
386	N	C	-0.6599
387	Y	C	0.0599
388	K	C	-0.5630
389	T	C	-0.1339
390	T	C	0.0000
391	P	C	-0.1737
392	P	C	-0.1306
393	V	C	0.0000
394	L	C	1.2485
395	D	C	-0.1015
396	S	C	-0.5816
397	D	C	-1.8875
398	G	C	-0.6584
399	S	C	0.0000
400	F	C	0.4100
401	F	C	0.0000
402	L	C	0.0000
403	Y	C	0.0000
404	S	C	0.0000
405	K	C	0.0000
406	L	C	0.0000
407	T	C	-0.0084
408	V	C	0.0000
409	D	C	-1.6112
410	K	C	-0.7460
411	S	C	-0.4102
412	R	C	-0.7988
413	W	C	0.0000
414	Q	C	-1.4116
415	Q	C	-1.4537
416	G	C	-0.4951
417	N	C	-0.0240
418	V	C	1.4625
419	F	C	0.0000
420	S	C	-0.0551
421	C	C	0.0000
422	S	C	0.0000
423	V	C	0.0000
424	M	C	0.0000
425	H	C	0.0000
426	E	C	-0.4685
427	A	C	-0.2477
428	L	C	-0.0999
429	H	C	-1.1895
430	N	C	-1.5504
431	H	C	-0.6839
432	Y	C	0.6483
433	T	C	-0.0299
434	Q	C	-0.9345
435	K	C	-0.7126
436	S	C	-0.3111
437	L	C	0.0000
438	S	C	0.1818
439	L	C	0.4174
440	S	C	-0.1304
1	D	D	-1.7894
2	I	D	0.0000
3	Q	D	-1.1983
4	M	D	0.0000
5	T	D	-0.0919
6	Q	D	-0.1548
7	S	D	-0.2000
8	P	D	-0.1958
9	S	D	-0.2498
10	S	D	-0.1962
11	L	D	0.1763
12	S	D	-0.1699
13	A	D	-0.0326
14	S	D	0.0000
15	V	D	1.1320
16	G	D	-0.4417
17	D	D	-1.5723
18	R	D	-2.0775
19	V	D	0.0000
20	T	D	-0.0728
21	I	D	0.0000
22	T	D	-0.0445
23	C	D	0.0000
24	R	D	-1.7725
25	A	D	0.0000
26	S	D	-0.3042
27	Q	D	-1.2509
28	S	D	-0.4337
29	I	D	0.0000
30	S	D	-0.1195
31	S	D	-0.0509
32	Y	D	0.3060
33	L	D	0.0000
34	N	D	0.0000
35	W	D	0.0000
36	Y	D	0.0000
37	Q	D	0.0000
38	Q	D	0.0000
39	K	D	-0.5942
40	P	D	-0.4370
41	G	D	-0.8131
42	K	D	-1.7803
43	A	D	-0.2985
44	P	D	0.0000
45	K	D	-1.3033
46	L	D	0.0000
47	L	D	0.0000
48	I	D	0.0000
49	Y	D	0.2358
50	A	D	0.0560
51	A	D	0.0000
52	S	D	-0.2138
53	S	D	-0.0385
54	L	D	0.4299
55	Q	D	-0.1429
56	S	D	-0.3311
57	G	D	-0.4716
58	V	D	0.0845
59	P	D	-0.1180
60	S	D	-0.2840
61	R	D	-0.3249
62	F	D	0.0000
63	S	D	-0.1490
64	G	D	-0.1594
65	S	D	-0.2946
66	G	D	-0.3619
67	S	D	-0.2866
68	G	D	-0.1979
69	T	D	-0.3518
70	D	D	-1.9510
71	F	D	0.0000
72	T	D	-0.0211
73	L	D	0.0000
74	T	D	-0.0243
75	I	D	0.0000
76	S	D	-0.3194
77	S	D	-0.3690
78	L	D	0.0000
79	Q	D	-0.5906
80	P	D	-0.6246
81	E	D	-1.5779
82	D	D	0.0000
83	F	D	0.1891
84	A	D	0.0000
85	T	D	-0.1408
86	Y	D	0.0000
87	Y	D	0.0000
88	C	D	0.0000
89	Q	D	0.0000
90	Q	D	0.0000
91	S	D	0.0000
92	Y	D	1.2023
93	S	D	0.1023
94	T	D	-0.0638
95	P	D	-0.0588
96	L	D	0.0000
97	T	D	-0.0136
98	F	D	0.0000
99	G	D	0.0000
100	G	D	-0.4663
101	G	D	0.0000
102	T	D	0.0000
103	K	D	-0.8674
104	V	D	0.0000
105	E	D	0.0000
106	I	D	0.1272
107	K	D	-0.8273
108	R	D	-1.6168
109	T	D	-0.0735
110	V	D	1.1725
111	A	D	0.2351
112	A	D	0.0299
113	P	D	0.0000
114	S	D	-0.1311
115	V	D	0.0000
116	F	D	0.0000
117	I	D	0.0000
118	F	D	0.0000
119	P	D	-0.0802
120	P	D	0.0000
121	S	D	-0.3408
122	D	D	-1.9913
123	E	D	-1.4246
124	Q	D	0.0000
125	L	D	-0.0805
126	K	D	-1.6975
127	S	D	-0.5966
128	G	D	-0.5074
129	T	D	-0.1155
130	A	D	0.0000
131	S	D	0.0000
132	V	D	0.0000
133	V	D	0.0000
134	C	D	0.0000
135	L	D	0.0000
136	L	D	0.0000
137	N	D	0.0000
138	N	D	-0.4263
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	0.0000
142	R	D	-0.8765
143	E	D	-1.9163
144	A	D	-0.6245
145	K	D	-1.6639
146	V	D	-0.1911
147	Q	D	-0.3397
148	W	D	0.0000
149	K	D	-0.3253
150	V	D	0.0000
151	D	D	-0.4901
152	N	D	-1.3247
153	A	D	0.0914
154	L	D	1.5133
155	Q	D	0.0100
156	S	D	-0.3400
157	G	D	-0.5649
158	N	D	-0.4326
159	S	D	-0.2250
160	Q	D	-0.8129
161	E	D	-1.9091
162	S	D	-0.2079
163	V	D	0.8184
164	T	D	-0.1899
165	E	D	-1.8956
166	Q	D	-0.8540
167	D	D	-0.7556
168	S	D	-0.6308
169	K	D	-1.8016
170	D	D	-0.6727
171	S	D	-0.2113
172	T	D	-0.0203
173	Y	D	0.0000
174	S	D	0.0000
175	L	D	0.0000
176	S	D	0.0000
177	S	D	0.0000
178	T	D	0.0000
179	L	D	0.0000
180	T	D	0.0026
181	L	D	0.1588
182	S	D	-0.1987
183	K	D	-0.7381
184	A	D	-0.3550
185	D	D	-1.5769
186	Y	D	0.0000
187	E	D	-1.6391
188	K	D	-1.9998
189	H	D	-0.9361
190	K	D	-1.6557
191	V	D	0.0660
192	Y	D	0.0000
193	A	D	-0.0376
194	C	D	0.0000
195	E	D	-0.4495
196	V	D	0.0000
197	T	D	-0.0350
198	H	D	0.0000
199	Q	D	-1.2369
200	G	D	-0.3945
201	L	D	0.0870
202	S	D	-0.2038
203	S	D	-0.1764
204	P	D	-0.1064
205	V	D	0.2821
206	T	D	-0.1088
207	K	D	-0.3249
208	S	D	-0.0686
209	F	D	-0.0435
210	N	D	-1.2276
211	R	D	-0.6961
212	G	D	-0.8671
213	E	D	-1.7749
214	C	D	0.4087