-
Notifications
You must be signed in to change notification settings - Fork 0
Expand file tree
/
Copy pathafter_nvt.gro
More file actions
579 lines (579 loc) · 38.9 KB
/
Copy pathafter_nvt.gro
File metadata and controls
579 lines (579 loc) · 38.9 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
Martini system from L3K.pdb
21923
1LEU BB 1 1.213 1.987 1.343 0.2643 0.0428 -0.1789
1LEU SC1 2 1.272 1.746 1.562 0.2976 0.1963 -0.0951
2LEU BB 3 1.499 2.231 1.279 -0.0785 -0.1063 -0.3216
2LEU SC1 4 1.479 2.473 1.052 -0.1779 0.2060 0.0329
3LEU BB 5 1.796 2.187 1.456 0.2418 0.1456 0.2937
3LEU SC1 6 1.757 1.860 1.596 -0.1554 -0.1429 -0.1564
4LYS BB 7 2.091 2.225 1.579 -0.0849 0.0039 0.1769
4LYS SC1 8 2.242 1.917 1.541 -0.1881 -0.1178 -0.2775
4LYS SC2 9 2.190 1.638 1.403 0.0037 0.0082 -0.1669
1LEU BB 10 1.034 2.095 5.004 0.2386 -0.2658 -0.1759
1LEU SC1 11 0.765 2.233 5.069 0.2012 -0.0991 -0.0639
2LEU BB 12 1.310 2.082 5.239 0.0272 0.0393 0.1246
2LEU SC1 13 1.453 2.342 5.198 -0.0043 -0.0773 0.1285
3LEU BB 14 1.601 1.886 5.253 0.0477 0.1519 -0.1734
3LEU SC1 15 1.670 1.710 5.522 -0.1148 0.0297 0.0694
4LYS BB 16 1.917 1.997 5.165 0.0104 -0.0419 0.0515
4LYS SC1 17 1.938 2.198 4.896 0.3194 0.1733 -0.1804
4LYS SC2 18 1.784 2.371 4.793 -0.0084 -0.0402 0.1448
1LEU BB 19 1.916 2.369 8.799 0.0681 -0.2625 0.1552
1LEU SC1 20 1.608 2.429 8.780 -0.0659 0.1954 -0.3972
2LEU BB 21 1.984 2.082 8.925 -0.1142 -0.1919 -0.0695
2LEU SC1 22 2.123 2.072 9.231 -0.0504 -0.1262 -0.0166
3LEU BB 23 1.969 1.714 8.878 -0.0407 0.1592 0.2642
3LEU SC1 24 1.708 1.739 9.095 0.2722 0.1746 -0.0786
4LYS BB 25 2.164 1.502 8.733 -0.2709 -0.0766 -0.2539
4LYS SC1 26 2.431 1.648 8.648 0.0960 0.0775 -0.1630
4LYS SC2 27 2.704 1.608 8.682 0.4539 -0.4557 -0.1852
1LEU BB 28 2.038 1.948 12.466 -0.0522 -0.0864 0.0647
1LEU SC1 29 2.073 1.727 12.702 0.0376 0.0531 0.0255
2LEU BB 30 1.722 1.984 12.393 0.2501 0.0724 -0.3488
2LEU SC1 31 1.616 1.701 12.430 -0.0847 0.0779 0.2651
3LEU BB 32 1.450 2.275 12.335 -0.1825 -0.0951 0.3274
3LEU SC1 33 1.344 2.238 12.639 0.1421 -0.1107 0.2588
4LYS BB 34 1.412 2.512 12.128 0.5381 -0.1490 0.0786
4LYS SC1 35 1.103 2.607 12.140 -0.1950 -0.2832 -0.0816
4LYS SC2 36 0.862 2.725 12.209 0.1142 0.1792 0.0321
1LEU BB 37 1.787 5.656 1.695 -0.0324 -0.1407 -0.2526
1LEU SC1 38 2.094 5.752 1.620 0.0874 -0.0433 0.2199
2LEU BB 39 1.833 5.311 1.615 0.1193 0.1160 -0.0322
2LEU SC1 40 2.102 5.290 1.811 0.2047 0.0533 -0.0759
3LEU BB 41 1.789 5.071 1.357 -0.0566 0.0676 -0.2074
3LEU SC1 42 1.460 5.081 1.333 -0.1937 -0.1401 -0.1573
4LYS BB 43 1.944 4.958 1.097 0.1395 -0.1873 0.2878
4LYS SC1 44 1.815 5.254 0.911 -0.2166 -0.0095 -0.2333
4LYS SC2 45 1.677 5.487 0.905 -0.0923 0.2361 0.1263
1LEU BB 46 2.850 4.911 4.662 -0.0900 -0.2463 0.3675
1LEU SC1 47 2.834 4.776 4.332 -0.0032 -0.0585 -0.0621
2LEU BB 48 2.635 5.166 4.642 -0.0028 0.0599 -0.0614
2LEU SC1 49 2.732 5.354 4.452 -0.0892 0.1209 0.4526
3LEU BB 50 2.356 5.177 4.823 -0.1311 0.0837 -0.0297
3LEU SC1 51 2.290 5.064 5.091 -0.0454 0.3246 0.2290
4LYS BB 52 2.091 5.480 4.924 0.1737 -0.0984 0.1136
4LYS SC1 53 2.180 5.719 5.071 -0.1510 0.1435 -0.1333
4LYS SC2 54 2.083 5.929 5.213 0.1410 -0.0112 -0.2442
1LEU BB 55 1.385 6.081 9.274 0.1812 -0.0373 0.4524
1LEU SC1 56 1.430 6.361 9.090 -0.3987 -0.1203 -0.1863
2LEU BB 57 1.464 5.823 9.416 0.2483 0.2994 0.1638
2LEU SC1 58 1.765 5.883 9.522 0.1820 -0.0938 0.0366
3LEU BB 59 1.370 5.463 9.477 -0.2037 -0.1748 -0.0428
3LEU SC1 60 1.612 5.436 9.699 0.0899 0.5677 0.0769
4LYS BB 61 1.366 5.163 9.381 -0.1100 0.0660 0.0068
4LYS SC1 62 1.642 4.987 9.365 0.1020 -0.1046 0.3279
4LYS SC2 63 1.848 5.043 9.542 0.4123 0.0114 -0.0734
1LEU BB 64 1.218 6.051 12.710 -0.1560 0.2075 0.1006
1LEU SC1 65 0.941 5.990 12.724 0.2706 -0.0306 -0.1995
2LEU BB 66 1.467 5.822 12.596 0.1220 0.1446 -0.1219
2LEU SC1 67 1.756 5.901 12.649 -0.0902 -0.4194 -0.1041
3LEU BB 68 1.378 5.497 12.414 0.1528 0.0899 -0.1378
3LEU SC1 69 1.663 5.349 12.497 0.1013 -0.2429 -0.0963
4LYS BB 70 1.273 5.310 12.140 0.2006 -0.1356 0.1066
4LYS SC1 71 1.534 5.163 12.029 -0.3362 0.2385 0.1228
4LYS SC2 72 1.714 4.965 12.008 -0.4075 0.1197 -0.3598
1LEU BB 73 1.058 8.846 1.384 -0.2928 0.0296 0.1340
1LEU SC1 74 1.116 8.897 1.064 -0.2813 0.0330 0.0659
2LEU BB 75 1.335 9.037 1.579 -0.0984 0.2451 -0.6997
2LEU SC1 76 1.218 9.317 1.541 0.0667 0.2808 -0.2362
3LEU BB 77 1.636 9.071 1.480 0.0167 -0.3211 0.3145
3LEU SC1 78 1.553 9.160 1.178 0.1623 -0.3121 0.0174
4LYS BB 79 1.916 9.112 1.614 0.1249 0.1106 0.1740
4LYS SC1 80 2.152 9.373 1.616 -0.1219 0.0891 0.1698
4LYS SC2 81 2.402 9.519 1.627 0.3754 -0.2697 -0.0847
1LEU BB 82 1.614 9.428 4.443 -0.0845 0.2797 -0.1228
1LEU SC1 83 1.861 9.301 4.243 -0.2748 0.0248 -0.1204
2LEU BB 84 1.781 9.288 4.722 -0.0261 -0.0395 0.1678
2LEU SC1 85 1.606 9.152 4.967 -0.2175 0.3321 -0.0621
3LEU BB 86 2.010 9.058 4.722 0.1001 0.0212 0.0479
3LEU SC1 87 1.774 8.827 4.585 -0.2333 0.0506 -0.1335
4LYS BB 88 2.121 8.803 4.956 0.3471 -0.0439 -0.1919
4LYS SC1 89 1.996 8.513 5.029 -0.3882 -0.0709 -0.0270
4LYS SC2 90 1.900 8.270 4.896 0.1107 0.3012 -0.3268
1LEU BB 91 1.602 8.416 9.158 -0.0706 0.0437 0.1258
1LEU SC1 92 1.393 8.213 8.991 0.0982 0.1302 -0.3704
2LEU BB 93 1.536 8.783 8.970 -0.2594 -0.3546 -0.0404
2LEU SC1 94 1.582 8.593 8.691 -0.0166 -0.0639 -0.0573
3LEU BB 95 1.832 9.019 9.027 0.2458 0.2073 -0.3256
3LEU SC1 96 2.141 8.931 9.042 0.0529 0.1123 -0.2027
4LYS BB 97 1.868 9.320 9.091 0.2302 0.4279 -0.0413
4LYS SC1 98 1.895 9.325 9.417 0.2480 0.1694 0.0175
4LYS SC2 99 1.739 9.216 9.620 -0.0083 0.1485 -0.0355
1LEU BB 100 2.752 9.606 12.130 0.2304 0.0628 0.1038
1LEU SC1 101 2.652 9.317 12.204 -0.2271 -0.1239 -0.1422
2LEU BB 102 2.403 9.749 12.287 0.0152 -0.0492 0.1204
2LEU SC1 103 2.463 9.948 12.572 0.0558 -0.0351 -0.0960
3LEU BB 104 2.120 9.611 12.137 -0.0412 -0.0920 0.0135
3LEU SC1 105 2.233 9.428 11.899 0.0456 0.0497 0.0487
4LYS BB 106 1.778 9.543 12.143 0.0279 -0.2432 -0.2535
4LYS SC1 107 1.716 9.492 12.451 0.1569 -0.0660 -0.2813
4LYS SC2 108 1.606 9.310 12.683 -0.2283 0.1127 0.1952
1LEU BB 109 2.484 12.418 1.462 0.0550 -0.0937 0.0821
1LEU SC1 110 2.427 12.293 1.164 -0.0961 0.1643 -0.0988
2LEU BB 111 2.213 12.371 1.685 -0.4258 -0.3486 0.4511
2LEU SC1 112 2.038 12.605 1.578 0.3751 0.2511 0.1474
3LEU BB 113 2.066 12.029 1.678 0.0005 0.4068 -0.1486
3LEU SC1 114 2.044 12.003 1.324 0.1449 -0.2955 0.1207
4LYS BB 115 1.896 11.873 1.962 -0.0552 0.0021 0.2286
4LYS SC1 116 1.953 11.893 2.294 0.2944 0.3472 -0.0319
4LYS SC2 117 1.816 11.798 2.514 -0.0941 0.0744 -0.1785
1LEU BB 118 2.070 12.782 5.880 0.0946 0.2346 0.1908
1LEU SC1 119 2.236 12.561 6.059 0.1218 -0.1492 0.0381
2LEU BB 120 1.927 12.567 5.640 0.1400 0.3146 -0.1107
2LEU SC1 121 1.656 12.412 5.811 0.1514 -0.0079 0.0711
3LEU BB 122 1.954 12.304 5.478 -0.0602 -0.1817 0.1597
3LEU SC1 123 2.267 12.209 5.447 0.3226 -0.0145 -0.1010
4LYS BB 124 1.956 12.267 5.071 0.0153 0.0080 -0.4197
4LYS SC1 125 1.751 12.560 5.126 -0.2165 0.0605 0.0352
4LYS SC2 126 1.540 12.631 5.233 -0.3264 -0.0810 0.2544
1LEU BB 127 1.603 11.765 8.032 0.0817 -0.1353 0.1461
1LEU SC1 128 1.815 11.702 8.272 0.1470 -0.0719 0.0472
2LEU BB 129 1.423 12.065 7.991 0.4215 0.2019 0.4321
2LEU SC1 130 1.108 11.945 8.072 -0.1537 -0.3636 0.1278
3LEU BB 131 1.428 12.352 8.102 0.0679 -0.1512 0.2145
3LEU SC1 132 1.145 12.459 7.978 0.1876 -0.1458 -0.2823
4LYS BB 133 1.525 12.657 8.245 0.0151 0.0219 0.1084
4LYS SC1 134 1.520 12.965 8.090 -0.1451 -0.0775 -0.2681
4LYS SC2 135 1.790 13.102 8.099 -0.1140 0.1952 0.1618
1LEU BB 136 1.820 11.920 11.642 0.2929 0.2530 0.1126
1LEU SC1 137 1.544 11.999 11.810 -0.1746 0.2120 0.0317
2LEU BB 138 2.109 11.941 11.780 -0.1703 -0.1903 -0.1848
2LEU SC1 139 2.034 12.193 11.995 -0.0925 -0.1878 -0.2819
3LEU BB 140 2.446 11.737 11.767 0.1200 0.1102 -0.1473
3LEU SC1 141 2.515 11.687 11.453 -0.0938 -0.1279 -0.3171
4LYS BB 142 2.739 11.772 11.965 0.0461 -0.1542 0.2425
4LYS SC1 143 2.888 11.545 11.760 0.0869 -0.0960 0.2124
4LYS SC2 144 3.088 11.611 11.593 0.0979 -0.0113 -0.3771
1LEU BB 145 6.070 1.715 1.554 0.4057 -0.0823 0.0227
1LEU SC1 146 6.339 1.663 1.629 -0.0789 -0.0059 -0.1740
2LEU BB 147 5.936 1.974 1.821 0.1112 0.2438 -0.1993
2LEU SC1 148 5.983 2.225 1.713 0.0064 -0.0273 -0.0453
3LEU BB 149 5.699 1.934 2.023 0.0075 -0.0356 0.2178
3LEU SC1 150 5.697 1.705 2.216 -0.1677 0.0209 0.2770
4LYS BB 151 5.356 2.101 2.121 0.2367 0.1546 0.0217
4LYS SC1 152 5.293 2.362 2.351 -0.0817 0.0796 -0.2019
4LYS SC2 153 5.125 2.558 2.439 0.2528 0.2575 0.0145
1LEU BB 154 6.103 1.401 5.594 0.0301 0.1786 -0.0030
1LEU SC1 155 5.967 1.699 5.642 -0.0132 -0.0528 -0.3014
2LEU BB 156 5.870 1.314 5.360 -0.0107 -0.0818 -0.1449
2LEU SC1 157 5.620 1.529 5.326 0.1189 0.1996 -0.1240
3LEU BB 158 5.795 1.016 5.179 -0.2669 0.1062 0.2855
3LEU SC1 159 5.525 0.982 5.349 0.1006 0.0986 -0.2878
4LYS BB 160 5.839 0.821 4.894 -0.1135 0.0472 0.1000
4LYS SC1 161 6.081 0.895 4.656 -0.0417 0.1456 -0.0732
4LYS SC2 162 6.204 0.993 4.512 0.1818 0.1159 -0.0706
1LEU BB 163 5.389 2.543 9.282 -0.2887 0.1676 0.1501
1LEU SC1 164 5.688 2.611 9.139 -0.2655 0.0892 0.0316
2LEU BB 165 5.446 2.210 9.316 0.0453 0.2393 -0.0314
2LEU SC1 166 5.558 2.217 9.644 0.1413 -0.0155 0.2232
3LEU BB 167 5.608 1.954 9.208 0.1030 0.3459 -0.2433
3LEU SC1 168 5.706 2.038 8.911 -0.2778 0.0580 0.0078
4LYS BB 169 5.888 1.686 9.314 -0.1771 -0.1437 -0.2928
4LYS SC1 170 5.861 1.487 9.075 0.2321 -0.2833 0.0182
4LYS SC2 171 5.733 1.325 8.964 -0.4085 0.1274 -0.1928
1LEU BB 172 3.572 1.285 12.437 -0.0920 -0.2948 -0.1642
1LEU SC1 173 3.271 1.204 12.397 0.2044 0.0366 0.3100
2LEU BB 174 3.651 1.591 12.317 0.0955 0.1738 0.1950
2LEU SC1 175 3.523 1.520 12.065 -0.1929 -0.0074 0.1517
3LEU BB 176 3.729 1.900 12.469 0.0654 -0.0624 0.1747
3LEU SC1 177 4.028 1.865 12.606 0.1241 -0.1353 0.1073
4LYS BB 178 3.746 2.220 12.418 -0.1990 0.1754 -0.1743
4LYS SC1 179 3.907 2.362 12.624 -0.3162 0.0952 -0.1587
4LYS SC2 180 3.984 2.617 12.721 0.0336 0.3201 -0.0653
1LEU BB 181 5.023 5.791 0.832 -0.1528 -0.3228 -0.1440
1LEU SC1 182 5.093 6.081 0.661 -0.1932 -0.5000 -0.2086
2LEU BB 183 5.138 5.542 0.700 0.2454 0.0324 -0.1444
2LEU SC1 184 5.302 5.690 0.428 0.1082 -0.0772 -0.0090
3LEU BB 185 5.146 5.173 0.776 0.1109 0.1047 0.3027
3LEU SC1 186 4.934 5.141 0.474 -0.6407 -0.0261 -0.0333
4LYS BB 187 5.494 4.992 0.794 0.2262 -0.2024 0.1471
4LYS SC1 188 5.721 4.890 1.049 -0.0899 -0.0101 0.4617
4LYS SC2 189 5.864 4.849 1.267 0.1603 0.0712 -0.1218
1LEU BB 190 5.810 5.291 5.494 0.1885 -0.4002 -0.2028
1LEU SC1 191 6.090 5.331 5.594 -0.1302 -0.1487 0.1588
2LEU BB 192 5.601 5.343 5.178 0.1746 -0.0475 0.2118
2LEU SC1 193 5.734 5.104 5.019 -0.3647 0.1521 0.5530
3LEU BB 194 5.362 5.476 5.029 -0.0439 0.2308 0.1218
3LEU SC1 195 5.510 5.783 5.030 0.0674 -0.1749 0.0765
4LYS BB 196 5.070 5.428 4.843 0.3173 -0.1002 -0.2581
4LYS SC1 197 4.903 5.640 5.070 -0.0789 -0.0525 0.0012
4LYS SC2 198 4.952 5.897 5.124 -0.2329 -0.3909 0.1622
1LEU BB 199 5.720 4.804 8.690 0.3422 -0.0593 0.1903
1LEU SC1 200 6.031 4.874 8.686 0.1601 -0.1417 0.0310
2LEU BB 201 5.574 5.104 8.805 0.1033 -0.1416 -0.1053
2LEU SC1 202 5.847 5.294 8.873 -0.4216 0.2004 -0.0057
3LEU BB 203 5.336 5.331 8.878 -0.3173 -0.1714 0.1780
3LEU SC1 204 5.145 5.291 8.631 0.1986 0.0842 0.1239
4LYS BB 205 5.064 5.178 9.246 -0.2842 0.1840 -0.2599
4LYS SC1 206 5.038 4.858 9.093 -0.2328 0.3960 0.0101
4LYS SC2 207 5.063 4.775 8.852 0.0310 0.0084 0.0338
1LEU BB 208 5.274 4.373 13.116 -0.1756 -0.1197 0.1591
1LEU SC1 209 5.434 4.615 13.311 0.2970 0.1430 0.2907
2LEU BB 210 5.175 4.617 12.846 -0.0230 -0.0182 -0.2057
2LEU SC1 211 5.275 4.904 12.900 -0.0433 0.1039 0.0164
3LEU BB 212 4.851 4.575 12.767 -0.0257 -0.2224 -0.3280
3LEU SC1 213 4.722 4.611 13.086 0.2431 0.4781 -0.1295
4LYS BB 214 4.580 4.760 12.651 0.2744 -0.2335 0.0356
4LYS SC1 215 4.403 4.613 12.439 -0.3439 -0.3352 -0.0398
4LYS SC2 216 4.197 4.391 12.443 -0.1986 0.1834 -0.0789
1LEU BB 217 5.311 9.179 1.749 0.0587 0.1448 0.1390
1LEU SC1 218 5.230 8.951 1.985 0.0734 -0.1554 -0.0098
2LEU BB 219 5.181 9.034 1.476 0.3747 0.1656 -0.0483
2LEU SC1 220 5.052 8.741 1.530 -0.0185 0.3202 0.4110
3LEU BB 221 5.028 9.040 1.151 0.1676 -0.0253 -0.1267
3LEU SC1 222 4.782 9.242 1.214 0.0455 -0.1672 -0.0582
4LYS BB 223 4.996 8.945 0.870 0.1712 -0.2249 -0.1313
4LYS SC1 224 4.923 9.166 0.704 0.2171 0.0951 -0.0326
4LYS SC2 225 4.879 9.340 0.546 0.0428 -0.1248 0.2119
1LEU BB 226 5.100 9.217 4.299 0.0549 0.0324 0.0314
1LEU SC1 227 4.900 9.019 4.179 -0.1059 0.2592 0.2153
2LEU BB 228 5.302 8.950 4.440 0.0452 -0.2447 -0.1513
2LEU SC1 229 5.155 8.683 4.407 -0.1461 0.0681 -0.0940
3LEU BB 230 5.327 8.916 4.792 0.2308 0.1708 -0.4696
3LEU SC1 231 5.303 9.249 4.860 0.1688 -0.0399 0.0160
4LYS BB 232 5.494 8.620 4.951 0.4564 -0.3876 -0.0406
4LYS SC1 233 5.785 8.660 5.071 0.1275 -0.0473 0.4198
4LYS SC2 234 6.039 8.740 5.131 -0.0035 0.0623 0.2339
1LEU BB 235 5.862 8.844 8.492 0.0295 0.2309 -0.1089
1LEU SC1 236 5.811 8.763 8.819 0.1486 0.0019 0.0078
2LEU BB 237 5.524 8.782 8.387 0.1179 0.0525 0.3736
2LEU SC1 238 5.425 9.108 8.382 -0.2706 -0.1907 -0.0951
3LEU BB 239 5.256 8.599 8.441 -0.0768 -0.1693 -0.1985
3LEU SC1 240 5.270 8.313 8.573 -0.1226 0.2252 -0.1055
4LYS BB 241 4.979 8.567 8.261 0.1204 -0.2537 0.2990
4LYS SC1 242 4.784 8.733 8.443 0.1524 -0.0076 0.3020
4LYS SC2 243 4.686 8.928 8.599 0.2398 -0.0537 0.2607
1LEU BB 244 4.844 9.155 11.775 0.0898 -0.1602 -0.1586
1LEU SC1 245 5.092 9.094 12.014 0.1704 -0.2010 -0.1021
2LEU BB 246 4.761 8.814 11.746 -0.0648 -0.0492 0.0142
2LEU SC1 247 4.559 8.779 12.033 -0.0045 0.0828 0.1336
3LEU BB 248 4.993 8.522 11.826 -0.0938 -0.0357 0.1931
3LEU SC1 249 5.033 8.643 12.159 -0.1836 0.0577 -0.0773
4LYS BB 250 4.871 8.187 11.937 -0.0201 -0.0633 -0.1253
4LYS SC1 251 4.810 8.224 12.236 -0.0483 -0.3490 0.0724
4LYS SC2 252 4.912 8.034 12.427 -0.0914 0.1320 0.2016
1LEU BB 253 5.847 12.506 1.266 -0.0896 0.0067 -0.0917
1LEU SC1 254 6.145 12.356 1.401 -0.1475 -0.2846 0.2335
2LEU BB 255 5.573 12.189 1.307 0.0707 0.0432 -0.2583
2LEU SC1 256 5.272 12.274 1.284 -0.1849 -0.0353 -0.2413
3LEU BB 257 5.750 11.915 1.472 -0.3313 0.2576 0.2776
3LEU SC1 258 5.926 12.002 1.703 0.0027 0.1081 -0.1527
4LYS BB 259 5.581 11.590 1.433 -0.0226 -0.0679 0.4361
4LYS SC1 260 5.346 11.734 1.196 -0.3881 0.2523 -0.3098
4LYS SC2 261 5.113 11.707 1.184 -0.0873 -0.4675 0.1400
1LEU BB 262 4.900 11.720 5.498 -0.1428 -0.3215 0.1502
1LEU SC1 263 4.962 12.029 5.478 0.0687 -0.2063 0.0413
2LEU BB 264 5.048 11.579 5.762 -0.3151 0.0597 -0.1442
2LEU SC1 265 4.871 11.384 5.953 0.1787 -0.0425 0.0810
3LEU BB 266 5.291 11.580 6.014 -0.4776 0.1489 -0.0450
3LEU SC1 267 5.521 11.375 5.907 -0.0532 0.0979 0.0343
4LYS BB 268 5.228 11.640 6.373 0.0178 -0.0536 0.1041
4LYS SC1 269 5.399 11.918 6.420 0.1012 0.0662 -0.0965
4LYS SC2 270 5.506 12.038 6.568 -0.1630 -0.1402 0.1816
1LEU BB 271 6.382 12.599 8.427 0.0952 -0.0058 0.0349
1LEU SC1 272 6.439 12.566 8.763 0.0800 0.1144 0.0246
2LEU BB 273 6.024 12.519 8.472 0.0123 -0.2555 0.5376
2LEU SC1 274 5.939 12.813 8.325 0.0758 -0.2808 -0.1257
3LEU BB 275 5.840 12.472 8.715 0.0695 0.1695 -0.2145
3LEU SC1 276 6.006 12.436 8.984 0.0654 0.4725 -0.0131
4LYS BB 277 5.529 12.457 8.865 0.1452 0.1019 0.1243
4LYS SC1 278 5.332 12.147 8.866 0.3334 -0.0494 0.0509
4LYS SC2 279 5.183 11.932 8.991 -0.2446 -0.0931 -0.1228
1LEU BB 280 5.182 12.536 12.115 -0.1207 -0.0674 -0.1882
1LEU SC1 281 5.280 12.738 11.862 0.0792 0.0895 -0.1199
2LEU BB 282 5.377 12.232 12.283 -0.1542 -0.0418 0.2365
2LEU SC1 283 5.623 12.469 12.298 0.2565 -0.2491 -0.2279
3LEU BB 284 5.350 11.952 12.407 -0.1696 -0.0512 0.0683
3LEU SC1 285 5.645 11.879 12.454 -0.2116 -0.2748 -0.1631
4LYS BB 286 5.223 11.567 12.348 -0.0723 -0.2040 -0.0367
4LYS SC1 287 5.323 11.364 12.592 0.0878 -0.0215 -0.1637
4LYS SC2 288 5.434 11.136 12.636 -0.1561 0.1882 -0.2771
1LEU BB 289 9.583 1.491 1.522 -0.2489 0.0363 -0.1585
1LEU SC1 290 9.641 1.829 1.501 0.1212 -0.0244 0.1607
2LEU BB 291 9.254 1.546 1.409 0.0208 0.1413 0.0975
2LEU SC1 292 9.057 1.430 1.657 0.0132 -0.0260 0.2486
3LEU BB 293 9.013 1.413 1.169 -0.0515 -0.5594 0.1109
3LEU SC1 294 8.959 1.130 1.231 -0.0813 0.1032 -0.4749
4LYS BB 295 8.932 1.587 0.833 -0.0537 -0.0091 0.1691
4LYS SC1 296 8.726 1.823 0.945 0.1712 -0.0488 -0.1519
4LYS SC2 297 8.481 1.844 0.918 0.2031 -0.0411 0.0741
1LEU BB 298 7.423 2.046 5.189 -0.1156 0.0138 -0.0926
1LEU SC1 299 7.666 2.251 5.143 0.0009 0.0338 -0.1597
2LEU BB 300 7.505 1.693 5.402 0.0984 0.0801 -0.0766
2LEU SC1 301 7.651 1.847 5.635 -0.0688 -0.2793 0.0014
3LEU BB 302 7.518 1.412 5.214 -0.3569 -0.2318 -0.1501
3LEU SC1 303 7.823 1.303 5.353 0.1374 -0.0821 -0.0693
4LYS BB 304 7.305 1.133 5.138 0.2012 -0.2563 0.0197
4LYS SC1 305 7.500 0.872 5.027 0.0660 0.0071 0.1346
4LYS SC2 306 7.751 0.843 5.154 -0.4993 0.2566 -0.0094
1LEU BB 307 8.693 1.703 9.152 0.2480 -0.0204 -0.0310
1LEU SC1 308 8.819 1.405 9.149 -0.2592 0.1622 0.0172
2LEU BB 309 8.985 1.824 9.311 0.0942 -0.1499 -0.4380
2LEU SC1 310 9.111 1.568 9.458 0.0577 0.0290 -0.1412
3LEU BB 311 9.119 2.124 9.292 -0.0904 0.1221 0.0464
3LEU SC1 312 8.923 2.337 9.463 0.1318 0.1295 0.2043
4LYS BB 313 9.364 2.207 9.581 0.1645 -0.1793 -0.1043
4LYS SC1 314 9.523 1.904 9.585 -0.1843 0.1763 0.2105
4LYS SC2 315 9.552 1.743 9.375 -0.0441 -0.0509 0.0836
1LEU BB 316 8.464 1.349 11.921 0.0111 0.0783 -0.2192
1LEU SC1 317 8.633 1.530 12.155 0.2895 0.0018 0.0781
2LEU BB 318 8.563 1.602 11.685 0.2157 -0.2667 0.0145
2LEU SC1 319 8.804 1.404 11.535 0.2063 0.0558 -0.1453
3LEU BB 320 8.786 1.890 11.755 -0.0974 0.0549 0.0307
3LEU SC1 321 8.907 1.912 11.474 0.0784 -0.0849 0.2828
4LYS BB 322 8.741 2.200 12.000 0.0047 0.0080 -0.0601
4LYS SC1 323 9.067 2.208 12.024 -0.1502 0.0156 0.1522
4LYS SC2 324 9.312 2.170 11.891 -0.2638 0.4656 0.3958
1LEU BB 325 9.270 5.710 1.094 -0.0127 -0.0350 -0.0974
1LEU SC1 326 9.193 5.950 1.373 0.1937 0.1446 0.3426
2LEU BB 327 8.995 5.511 1.085 -0.3340 0.0271 -0.1411
2LEU SC1 328 8.985 5.275 1.351 -0.0648 -0.2632 -0.1792
3LEU BB 329 8.668 5.456 1.042 -0.2420 -0.0559 -0.1141
3LEU SC1 330 8.604 5.652 0.793 0.0714 0.3111 -0.0205
4LYS BB 331 8.475 5.193 0.895 0.1495 -0.1290 0.0517
4LYS SC1 332 8.245 5.080 1.077 0.0442 -0.0815 0.1487
4LYS SC2 333 8.056 4.938 1.171 -0.0916 0.2407 -0.1984
1LEU BB 334 8.657 5.823 5.230 0.0015 -0.1221 -0.3387
1LEU SC1 335 8.833 5.836 5.463 -0.2811 0.2188 -0.1176
2LEU BB 336 8.349 5.585 5.358 -0.0871 0.0798 0.0020
2LEU SC1 337 8.342 5.701 5.668 -0.2370 0.2149 -0.1821
3LEU BB 338 8.346 5.287 5.292 -0.1503 -0.1496 -0.1572
3LEU SC1 339 8.600 5.305 5.082 0.0351 0.3659 0.1028
4LYS BB 340 8.167 4.990 5.170 -0.0051 -0.1744 0.2479
4LYS SC1 341 8.350 4.852 4.912 -0.1044 -0.1080 0.2827
4LYS SC2 342 8.320 4.726 4.656 0.1146 -0.0316 -0.3596
1LEU BB 343 8.891 4.936 8.158 -0.2364 0.1115 0.0191
1LEU SC1 344 8.915 4.767 8.446 -0.0199 -0.0842 0.5208
2LEU BB 345 8.797 5.264 8.072 -0.1026 0.1836 0.0362
2LEU SC1 346 8.560 5.347 8.336 0.1377 -0.2342 0.2362
3LEU BB 347 8.756 5.481 7.834 0.0279 0.1762 0.1361
3LEU SC1 348 9.060 5.634 7.758 -0.0738 -0.1955 0.1467
4LYS BB 349 8.689 5.531 7.473 0.1274 -0.0595 -0.0529
4LYS SC1 350 8.359 5.569 7.402 -0.2730 0.3127 -0.2902
4LYS SC2 351 8.121 5.505 7.512 0.1403 0.0897 0.1403
1LEU BB 352 8.584 5.122 12.400 -0.0243 0.2797 -0.1203
1LEU SC1 353 8.433 4.874 12.480 -0.0904 0.1495 -0.1624
2LEU BB 354 8.856 5.044 12.229 -0.0305 0.0316 -0.0230
2LEU SC1 355 9.059 5.293 12.146 -0.0632 0.0374 -0.4400
3LEU BB 356 8.987 4.793 12.092 -0.0869 -0.2064 0.4891
3LEU SC1 357 8.722 4.617 12.085 0.0564 0.0209 -0.0571
4LYS BB 358 9.127 4.773 11.728 0.0893 -0.0643 -0.0847
4LYS SC1 359 9.286 5.101 11.684 -0.0243 0.0703 0.1766
4LYS SC2 360 9.440 5.271 11.780 -0.0079 0.0612 -0.0316
1LEU BB 361 8.308 9.108 1.555 -0.3717 -0.0898 -0.0181
1LEU SC1 362 8.216 9.186 1.267 -0.2910 -0.1931 0.0715
2LEU BB 363 8.572 8.881 1.381 0.1291 -0.1213 -0.1206
2LEU SC1 364 8.516 8.714 1.149 0.1475 -0.1725 -0.0620
3LEU BB 365 8.895 9.037 1.329 -0.2424 -0.1586 -0.2251
3LEU SC1 366 8.856 9.362 1.282 -0.1131 0.2678 0.2094
4LYS BB 367 9.128 8.871 1.183 -0.2656 -0.0811 -0.2836
4LYS SC1 368 9.107 8.957 0.877 0.2425 0.0133 0.2382
4LYS SC2 369 9.058 9.249 0.813 0.3360 -0.0992 -0.1041
1LEU BB 370 8.959 8.915 4.201 0.4291 0.0950 0.1741
1LEU SC1 371 8.857 9.223 4.188 -0.2675 0.3660 -0.2049
2LEU BB 372 9.089 8.822 4.532 -0.0135 -0.0971 -0.1032
2LEU SC1 373 9.256 8.574 4.587 -0.0543 0.1761 0.0874
3LEU BB 374 9.074 9.007 4.811 -0.1525 0.1937 0.0576
3LEU SC1 375 8.741 9.070 4.776 0.0383 0.1282 -0.0265
4LYS BB 376 9.274 9.008 5.136 -0.2757 -0.0250 -0.0880
4LYS SC1 377 9.190 8.710 5.227 0.3479 0.3385 -0.0112
4LYS SC2 378 9.148 8.441 5.246 0.2197 0.0777 -0.1935
1LEU BB 379 8.875 9.370 8.710 0.0399 -0.0127 -0.0827
1LEU SC1 380 8.685 9.127 8.837 -0.0829 -0.1459 0.1005
2LEU BB 381 9.191 9.121 8.701 0.4140 -0.2254 -0.1258
2LEU SC1 382 9.240 9.082 8.378 0.2485 -0.3493 0.0605
3LEU BB 383 9.126 8.758 8.706 0.2281 -0.0910 0.2424
3LEU SC1 384 9.285 8.686 8.980 0.2872 -0.0704 0.0783
4LYS BB 385 9.119 8.511 8.562 0.1224 -0.2013 0.1159
4LYS SC1 386 9.278 8.252 8.634 -0.0960 0.0075 -0.2553
4LYS SC2 387 9.451 8.066 8.530 -0.0917 0.2012 -0.0971
1LEU BB 388 8.684 7.686 12.628 -0.0430 -0.3696 -0.0915
1LEU SC1 389 8.882 7.413 12.726 0.2833 0.0802 -0.1595
2LEU BB 390 8.828 7.979 12.489 0.1292 0.0239 0.3345
2LEU SC1 391 8.863 7.874 12.159 -0.1767 -0.2686 -0.3094
3LEU BB 392 8.775 8.303 12.441 0.2235 -0.0702 -0.1397
3LEU SC1 393 9.046 8.346 12.275 0.0965 0.0677 -0.0788
4LYS BB 394 8.711 8.631 12.484 -0.0490 -0.2146 -0.1383
4LYS SC1 395 8.772 8.761 12.193 -0.4645 -0.2004 -0.1937
4LYS SC2 396 8.636 8.748 11.980 0.1518 -0.0448 0.0859
1LEU BB 397 9.434 12.338 1.446 0.0864 -0.0933 -0.1227
1LEU SC1 398 9.691 12.562 1.349 -0.0790 0.0275 -0.0213
2LEU BB 399 9.182 12.527 1.307 0.2807 0.2563 -0.1148
2LEU SC1 400 9.306 12.524 1.039 -0.2517 0.2582 0.0384
3LEU BB 401 8.847 12.497 1.218 -0.1394 0.3047 0.1152
3LEU SC1 402 8.843 12.540 0.892 0.2670 -0.0187 0.0291
4LYS BB 403 8.540 12.421 1.314 0.0059 0.1891 -0.0265
4LYS SC1 404 8.411 12.271 1.077 -0.3659 -0.1336 0.3289
4LYS SC2 405 8.226 12.089 1.067 -0.2192 -0.1457 -0.1229
1LEU BB 406 8.929 11.681 6.117 0.1545 0.1309 0.3090
1LEU SC1 407 9.035 11.582 5.827 -0.1404 0.0044 -0.0608
2LEU BB 408 8.943 12.015 6.149 0.1475 -0.1279 -0.1885
2LEU SC1 409 8.621 12.084 6.026 -0.2107 -0.0995 0.0449
3LEU BB 410 9.147 12.287 6.074 -0.0842 -0.2093 0.0136
3LEU SC1 411 9.197 12.419 6.374 -0.2630 0.0580 0.1239
4LYS BB 412 9.106 12.597 5.918 0.0095 0.0137 0.0562
4LYS SC1 413 9.218 12.616 5.635 -0.0656 0.2001 0.0514
4LYS SC2 414 9.268 12.821 5.423 0.0876 -0.1020 -0.1933
1LEU BB 415 8.393 12.190 8.903 0.0937 0.0649 0.0710
1LEU SC1 416 8.168 11.955 8.783 -0.0967 -0.1862 0.2036
2LEU BB 417 8.556 12.170 8.590 -0.0819 -0.0435 0.0133
2LEU SC1 418 8.724 12.476 8.678 0.0122 0.2678 0.3609
3LEU BB 419 8.448 12.315 8.256 0.1835 -0.1868 0.1829
3LEU SC1 420 8.227 12.627 8.221 -0.0097 0.1347 -0.2373
4LYS BB 421 8.660 12.407 8.061 -0.0120 0.1293 -0.1046
4LYS SC1 422 8.933 12.371 8.236 -0.1431 0.0851 -0.0668
4LYS SC2 423 9.153 12.358 8.367 -0.2252 -0.1121 -0.0195
1LEU BB 424 9.188 12.485 10.970 0.2103 0.1381 -0.0741
1LEU SC1 425 9.198 12.289 10.716 -0.1071 0.0615 -0.2024
2LEU BB 426 9.113 12.255 11.224 0.0142 -0.1552 0.0287
2LEU SC1 427 8.846 12.078 11.106 -0.1912 0.1293 0.3348
3LEU BB 428 9.048 12.223 11.582 -0.0262 0.1848 -0.1821
3LEU SC1 429 9.193 12.489 11.659 -0.0796 0.2411 0.2945
4LYS BB 430 9.295 12.023 11.805 0.0464 -0.0124 0.1907
4LYS SC1 431 9.103 11.732 11.854 0.2947 -0.1809 -0.0169
4LYS SC2 432 8.909 11.636 11.932 0.1367 0.1224 -0.2800
1LEU BB 433 12.495 2.427 1.066 0.1210 -0.0244 -0.1580
1LEU SC1 434 12.588 2.145 0.941 -0.0310 0.0249 0.1486
2LEU BB 435 12.132 2.397 1.211 0.0539 0.3844 -0.0672
2LEU SC1 436 12.120 2.052 1.220 -0.1839 0.0429 -0.0169
3LEU BB 437 11.973 2.629 1.442 0.1303 0.2741 0.2554
3LEU SC1 438 11.860 2.874 1.300 -0.0442 0.0573 0.0880
4LYS BB 439 11.764 2.430 1.700 0.2085 -0.1729 -0.3712
4LYS SC1 440 11.746 2.166 1.566 0.0883 -0.1496 -0.0744
4LYS SC2 441 11.715 1.915 1.632 0.0841 -0.4132 -0.2402
1LEU BB 442 12.677 2.177 4.887 0.4130 -0.0544 0.1580
1LEU SC1 443 12.924 2.062 5.088 0.1033 0.1669 -0.0290
2LEU BB 444 12.404 2.400 5.110 0.2705 -0.3431 0.1477
2LEU SC1 445 12.172 2.640 4.986 -0.1574 0.1448 0.0533
3LEU BB 446 12.431 2.323 5.440 0.0034 -0.1964 0.0509
3LEU SC1 447 12.607 2.098 5.479 -0.2240 0.0352 -0.1152
4LYS BB 448 12.325 2.440 5.705 0.2559 0.0202 -0.0171
4LYS SC1 449 12.477 2.269 5.913 -0.1026 0.3501 -0.1262
4LYS SC2 450 12.466 2.097 6.109 -0.4329 0.0216 0.1225
1LEU BB 451 11.940 2.055 7.714 0.2080 0.1987 -0.3872
1LEU SC1 452 12.114 2.316 7.642 -0.2138 0.1922 0.0244
2LEU BB 453 12.046 2.000 8.047 0.1863 -0.4570 -0.0415
2LEU SC1 454 12.361 1.950 7.974 -0.0575 0.0942 0.0358
3LEU BB 455 12.008 2.293 8.262 0.1331 0.2503 -0.0799
3LEU SC1 456 12.245 2.463 8.075 0.1660 -0.5099 -0.2719
4LYS BB 457 12.050 2.259 8.588 -0.1284 0.1498 0.5851
4LYS SC1 458 12.232 2.003 8.692 0.0079 -0.1356 -0.1339
4LYS SC2 459 12.352 1.947 8.949 0.0272 -0.1303 0.1431
1LEU BB 460 11.684 1.237 11.518 -0.1367 0.0325 0.1840
1LEU SC1 461 11.539 1.139 11.784 0.2043 0.1135 -0.0783
2LEU BB 462 11.850 1.558 11.649 0.1098 0.2688 0.1684
2LEU SC1 463 11.890 1.461 11.980 0.1533 -0.1063 -0.1752
3LEU BB 464 11.648 1.824 11.734 -0.1348 -0.0153 -0.2001
3LEU SC1 465 11.358 1.644 11.737 -0.1076 0.0392 -0.2020
4LYS BB 466 11.589 2.154 11.685 -0.1747 0.0502 -0.2705
4LYS SC1 467 11.594 2.222 11.436 -0.0548 0.0553 0.1940
4LYS SC2 468 11.707 2.084 11.225 0.1613 0.0357 0.0493
1LEU BB 469 12.352 4.696 1.797 -0.1431 0.2499 -0.2184
1LEU SC1 470 12.364 4.878 2.067 0.2683 0.2843 -0.1325
2LEU BB 471 12.392 4.902 1.490 -0.2708 -0.1997 -0.1848
2LEU SC1 472 12.432 4.625 1.303 -0.2988 0.2798 -0.0755
3LEU BB 473 12.486 5.234 1.491 -0.1822 -0.1389 0.2133
3LEU SC1 474 12.191 5.250 1.676 0.0755 0.1686 -0.4026
4LYS BB 475 12.482 5.518 1.327 -0.1915 -0.0197 -0.0643
4LYS SC1 476 12.252 5.693 1.211 0.0091 0.3323 0.4061
4LYS SC2 477 12.002 5.768 1.238 0.1615 -0.0787 -0.1714
1LEU BB 478 12.249 5.474 5.470 0.0805 -0.0889 -0.0068
1LEU SC1 479 12.388 5.776 5.457 -0.0871 -0.1777 -0.0014
2LEU BB 480 12.475 5.252 5.609 0.0243 -0.0265 -0.0371
2LEU SC1 481 12.450 5.299 5.940 0.2711 -0.0696 -0.0015
3LEU BB 482 12.823 5.248 5.517 -0.1211 0.1919 -0.3448
3LEU SC1 483 12.827 5.493 5.358 -0.0346 0.0292 0.0629
4LYS BB 484 13.076 5.044 5.457 0.0733 -0.1147 0.0137
4LYS SC1 485 13.111 4.995 5.165 -0.1678 0.2030 -0.1529
4LYS SC2 486 13.171 5.056 4.911 -0.2385 0.1901 0.2433
1LEU BB 487 12.374 6.336 7.685 0.1469 0.0071 -0.2402
1LEU SC1 488 12.672 6.278 7.698 0.1008 -0.1076 0.1817
2LEU BB 489 12.223 6.246 7.995 0.1617 -0.0661 0.2619
2LEU SC1 490 11.939 6.368 8.009 -0.1413 0.0065 -0.0376
3LEU BB 491 12.262 5.948 8.144 0.3522 0.0489 -0.1505
3LEU SC1 492 12.060 5.976 8.419 -0.1464 0.0949 -0.1835
4LYS BB 493 12.428 5.689 8.256 0.1706 0.0540 -0.0940
4LYS SC1 494 12.637 5.846 8.381 -0.2661 -0.3276 -0.1367
4LYS SC2 495 12.850 5.881 8.526 0.0660 -0.2844 -0.1316
1LEU BB 496 13.167 5.270 12.129 -0.2373 -0.4309 -0.2182
1LEU SC1 497 13.394 5.053 12.149 0.2832 -0.2386 0.0499
2LEU BB 498 12.818 5.158 12.203 -0.0109 -0.4029 -0.0835
2LEU SC1 499 12.856 4.889 12.039 -0.1296 0.0941 0.0008
3LEU BB 500 12.620 5.079 12.493 -0.0671 -0.4064 -0.2591
3LEU SC1 501 12.541 5.390 12.552 -0.3955 0.0631 0.2555
4LYS BB 502 12.577 4.854 12.736 -0.3385 0.0989 -0.1730
4LYS SC1 503 12.347 4.708 12.620 -0.1855 0.2133 0.1569
4LYS SC2 504 12.095 4.628 12.591 -0.2770 -0.5113 0.2097
1LEU BB 505 12.840 9.302 2.189 -0.0377 0.1753 0.2599
1LEU SC1 506 12.654 9.146 2.386 -0.0181 0.3906 -0.1022
2LEU BB 507 12.959 8.955 2.040 0.0219 -0.2294 -0.0862
2LEU SC1 508 12.694 8.947 1.800 0.0238 0.0523 -0.1467
3LEU BB 509 12.867 8.613 2.083 0.1052 -0.0571 -0.0930
3LEU SC1 510 12.597 8.704 2.252 0.0089 0.0841 -0.1488
4LYS BB 511 12.775 8.340 1.936 -0.0518 -0.0096 0.0927
4LYS SC1 512 12.644 8.194 2.112 -0.1138 0.0247 -0.1118
4LYS SC2 513 12.590 8.047 2.343 0.0045 -0.2648 0.0322
1LEU BB 514 13.881 8.583 5.881 -0.0415 0.1374 -0.2722
1LEU SC1 515 13.941 8.842 6.083 -0.0376 -0.1094 -0.2121
2LEU BB 516 13.578 8.411 5.669 0.1051 -0.0855 0.0795
2LEU SC1 517 13.720 8.272 5.372 -0.2120 0.0599 0.1290
3LEU BB 518 13.352 8.280 5.771 0.1775 0.1678 0.0110
3LEU SC1 519 13.348 8.120 6.045 -0.0371 -0.3498 -0.0064
4LYS BB 520 12.977 8.209 5.717 -0.0369 -0.4778 0.0437
4LYS SC1 521 12.905 8.501 5.603 0.2304 -0.0917 -0.1314
4LYS SC2 522 12.703 8.669 5.695 0.3163 -0.0668 0.0734
1LEU BB 523 12.353 9.281 8.681 0.2505 -0.0767 0.6811
1LEU SC1 524 12.534 9.146 8.457 -0.0741 -0.0607 -0.1821
2LEU BB 525 12.198 8.977 8.745 -0.3304 0.2903 0.3174
2LEU SC1 526 11.879 8.995 8.625 0.0982 0.1367 -0.1779
3LEU BB 527 12.181 8.622 8.744 0.1046 0.1076 0.0983
3LEU SC1 528 12.415 8.579 8.547 -0.2307 -0.3133 -0.1867
4LYS BB 529 12.176 8.362 8.945 0.1872 0.1736 -0.0811
4LYS SC1 530 12.492 8.199 8.965 -0.0262 -0.0058 0.1596
4LYS SC2 531 12.741 8.197 9.041 0.0376 0.3463 0.1100
1LEU BB 532 12.747 7.943 11.996 0.0342 -0.3997 -0.1878
1LEU SC1 533 12.648 8.268 11.883 -0.5345 0.0120 0.5073
2LEU BB 534 12.779 8.044 12.332 0.1309 -0.2186 0.1864
2LEU SC1 535 12.894 7.883 12.562 -0.2451 0.0366 -0.1116
3LEU BB 536 12.981 8.329 12.416 0.2695 0.2788 -0.0351
3LEU SC1 537 13.188 8.261 12.137 -0.0979 -0.1764 -0.1792
4LYS BB 538 13.092 8.361 12.762 -0.0003 -0.2569 0.1485
4LYS SC1 539 12.953 8.624 12.900 -0.1597 0.1598 -0.0766
4LYS SC2 540 12.822 8.802 12.821 0.2020 0.1887 -0.1918
1LEU BB 541 11.902 12.029 1.575 -0.1108 -0.4681 0.1709
1LEU SC1 542 12.142 12.202 1.491 -0.1171 0.0669 -0.2956
2LEU BB 543 11.761 12.400 1.716 0.2732 -0.0735 0.1640
2LEU SC1 544 11.551 12.368 1.480 -0.1927 0.1734 -0.2376
3LEU BB 545 11.717 12.577 1.981 -0.0598 -0.0817 0.2140
3LEU SC1 546 11.741 12.337 2.204 0.2887 0.2153 -0.1861
4LYS BB 547 11.923 12.804 2.197 -0.3532 -0.3123 -0.1398
4LYS SC1 548 12.184 12.710 2.409 0.1193 0.1926 -0.0472
4LYS SC2 549 12.356 12.808 2.548 -0.0348 -0.1213 0.1585
1LEU BB 550 12.002 12.070 5.340 -0.1285 -0.0070 0.1585
1LEU SC1 551 11.898 11.851 5.586 -0.0309 0.0849 0.0319
2LEU BB 552 11.743 12.141 5.053 -0.2168 0.1090 -0.1337
2LEU SC1 553 11.869 12.104 4.736 -0.0630 0.0515 -0.0936
3LEU BB 554 11.399 12.201 5.093 -0.0950 -0.0390 -0.2317
3LEU SC1 555 11.417 12.281 5.431 0.1210 -0.2124 -0.2135
4LYS BB 556 11.251 12.280 4.787 -0.0771 -0.1791 0.1799
4LYS SC1 557 11.487 12.467 4.674 -0.1244 0.2088 -0.0093
4LYS SC2 558 11.719 12.601 4.623 0.0671 -0.0731 0.0881
1LEU BB 559 12.857 11.558 8.183 -0.0094 -0.0964 0.0478
1LEU SC1 560 12.587 11.424 8.233 0.2505 -0.1194 -0.2320
2LEU BB 561 12.739 11.897 8.069 0.3287 -0.0148 -0.0271
2LEU SC1 562 12.692 11.842 7.715 -0.0473 -0.2851 0.0395
3LEU BB 563 12.489 12.083 8.296 0.0136 -0.1760 0.0481
3LEU SC1 564 12.717 11.975 8.527 0.0504 0.0022 -0.1299
4LYS BB 565 12.366 12.346 8.224 0.2701 0.3956 0.0190
4LYS SC1 566 12.395 12.490 8.516 -0.0571 -0.2594 0.3960
4LYS SC2 567 12.515 12.496 8.752 0.0096 -0.0672 -0.1948
1LEU BB 568 11.845 12.112 12.592 0.1298 0.0614 0.1209
1LEU SC1 569 12.180 12.124 12.716 0.2489 0.3378 0.0457
2LEU BB 570 11.572 11.926 12.399 0.1245 -0.3296 -0.0700
2LEU SC1 571 11.210 11.912 12.369 -0.0761 0.0230 -0.2399
3LEU BB 572 11.589 11.679 12.185 -0.0178 -0.2654 -0.1053
3LEU SC1 573 11.797 11.480 12.324 -0.2142 0.5449 0.0619
4LYS BB 574 11.409 11.495 11.988 0.1447 -0.1173 0.0294
4LYS SC1 575 11.116 11.515 12.068 0.2862 -0.1314 -0.1527
4LYS SC2 576 10.893 11.440 12.159 0.0545 0.0848 0.5280
14.00000 14.00000 14.00000