-
Notifications
You must be signed in to change notification settings - Fork 0
/
crystal.gro
7024 lines (7023 loc) · 309 KB
/
crystal.gro
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
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
4pdz+crysrtalwaters
7020
334SER N 1 2.063 0.523 2.474
334SER H1 2 2.122 0.508 2.554
334SER H2 3 2.002 0.600 2.491
334SER H3 4 2.009 0.441 2.457
334SER CA 5 2.147 0.552 2.356
334SER HA 6 2.201 0.633 2.378
334SER CB 7 2.241 0.436 2.325
334SER HB1 8 2.301 0.459 2.249
334SER HB2 9 2.296 0.414 2.405
334SER OG 10 2.171 0.317 2.289
334SER HG1 11 2.237 0.244 2.270
334SER C 12 2.057 0.574 2.236
334SER O 13 1.939 0.543 2.240
335MET N 14 2.116 0.618 2.128
335MET HN 15 2.214 0.638 2.132
335MET CA 16 2.046 0.639 2.008
335MET HA 17 1.977 0.566 2.001
335MET CB 18 1.974 0.770 2.016
335MET HB1 19 1.901 0.770 1.948
335MET HB2 20 1.935 0.778 2.108
335MET CG 21 2.055 0.891 1.993
335MET HG1 22 2.122 0.890 2.067
335MET HG2 23 2.101 0.872 1.906
335MET SD 24 1.959 1.045 1.988
335MET CE 25 1.810 0.998 2.067
335MET HE1 26 1.748 1.077 2.071
335MET HE2 27 1.767 0.924 2.016
335MET HE3 28 1.830 0.967 2.160
335MET C 29 2.139 0.626 1.887
335MET O 30 2.257 0.649 1.898
336GLU N 31 2.079 0.584 1.778
336GLU HN 32 1.981 0.565 1.782
336GLU CA 33 2.148 0.565 1.654
336GLU HA 34 2.247 0.569 1.670
336GLU CB 35 2.105 0.430 1.601
336GLU HB1 36 2.137 0.359 1.664
336GLU HB2 37 2.006 0.428 1.595
336GLU CG 38 2.156 0.394 1.469
336GLU HG1 39 2.109 0.449 1.401
336GLU HG2 40 2.254 0.414 1.466
336GLU CD 41 2.133 0.248 1.441
336GLU OE1 42 2.032 0.188 1.480
336GLU OE2 43 2.220 0.195 1.379
336GLU C 44 2.104 0.674 1.557
336GLU O 45 1.987 0.701 1.546
337ILE N 46 2.200 0.735 1.490
337ILE HN 47 2.295 0.710 1.510
337ILE CA 48 2.178 0.835 1.390
337ILE HA 49 2.083 0.861 1.404
337ILE CB 50 2.268 0.958 1.400
337ILE HB 51 2.361 0.928 1.377
337ILE CG2 52 2.228 1.066 1.303
337ILE HG21 53 2.289 1.144 1.313
337ILE HG22 54 2.234 1.031 1.209
337ILE HG23 55 2.134 1.094 1.322
337ILE CG1 56 2.271 1.012 1.540
337ILE HG11 57 2.304 0.941 1.601
337ILE HG12 58 2.333 1.090 1.543
337ILE CD 59 2.142 1.057 1.590
337ILE HD1 60 2.152 1.091 1.683
337ILE HD2 61 2.106 1.129 1.532
337ILE HD3 62 2.078 0.980 1.590
337ILE C 63 2.212 0.773 1.258
337ILE O 64 2.317 0.721 1.240
338LEU N 65 2.120 0.781 1.167
338LEU HN 66 2.031 0.821 1.189
338LEU CA 67 2.146 0.734 1.035
338LEU HA 68 2.245 0.743 1.027
338LEU CB 69 2.108 0.592 1.022
338LEU HB1 70 2.134 0.562 0.930
338LEU HB2 71 2.161 0.541 1.090
338LEU CG 72 1.967 0.556 1.042
338LEU HG 73 1.914 0.637 1.015
338LEU CD1 74 1.930 0.439 0.958
338LEU HD11 75 1.834 0.416 0.973
338LEU HD12 76 1.945 0.461 0.862
338LEU HD13 77 1.987 0.361 0.984
338LEU CD2 78 1.940 0.518 1.185
338LEU HD21 79 1.843 0.494 1.195
338LEU HD22 80 1.996 0.439 1.209
338LEU HD23 81 1.962 0.595 1.245
338LEU C 82 2.080 0.814 0.925
338LEU O 83 1.996 0.893 0.951
339GLN N 84 2.126 0.788 0.805
339GLN HN 85 2.197 0.719 0.793
339GLN CA 86 2.074 0.859 0.691
339GLN HA 87 2.005 0.921 0.727
339GLN CB 88 2.182 0.942 0.623
339GLN HB1 89 2.264 0.886 0.612
339GLN HB2 90 2.148 0.970 0.532
339GLN CG 91 2.216 1.067 0.705
339GLN HG1 92 2.133 1.118 0.724
339GLN HG2 93 2.258 1.039 0.791
339GLN CD 94 2.310 1.157 0.636
339GLN OE1 95 2.271 1.229 0.545
339GLN NE2 96 2.436 1.152 0.676
339GLN HE21 97 2.463 1.090 0.749
339GLN HE22 98 2.504 1.211 0.633
339GLN C 99 2.013 0.760 0.593
339GLN O 100 2.067 0.652 0.567
340VAL N 101 1.899 0.796 0.539
340VAL HN 102 1.862 0.886 0.564
340VAL CA 103 1.823 0.713 0.447
340VAL HA 104 1.879 0.634 0.422
340VAL CB 105 1.695 0.665 0.514
340VAL HB 106 1.647 0.746 0.549
340VAL CG1 107 1.603 0.591 0.412
340VAL HG11 108 1.520 0.561 0.459
340VAL HG12 109 1.579 0.653 0.338
340VAL HG13 110 1.651 0.512 0.375
340VAL CG2 111 1.726 0.575 0.631
340VAL HG21 112 1.640 0.545 0.673
340VAL HG22 113 1.778 0.496 0.600
340VAL HG23 114 1.780 0.626 0.698
340VAL C 115 1.790 0.799 0.325
340VAL O 116 1.733 0.906 0.339
341ALA N 117 1.824 0.753 0.206
341ALA HN 118 1.872 0.665 0.201
341ALA CA 119 1.794 0.824 0.080
341ALA HA 120 1.760 0.914 0.104
341ALA CB 121 1.916 0.842 -0.001
341ALA HB1 122 1.893 0.890 -0.085
341ALA HB2 123 1.983 0.895 0.051
341ALA HB3 124 1.955 0.752 -0.023
341ALA C 125 1.692 0.747 -0.000
341ALA O 126 1.709 0.628 -0.030
342LEU N 127 1.583 0.814 -0.033
342LEU HN 128 1.574 0.908 0.001
342LEU CA 129 1.475 0.761 -0.115
342LEU HA 130 1.492 0.663 -0.129
342LEU CB 131 1.341 0.775 -0.045
342LEU HB1 132 1.323 0.873 -0.031
342LEU HB2 133 1.270 0.736 -0.104
342LEU CG 134 1.334 0.706 0.091
342LEU HG 135 1.409 0.743 0.145
342LEU CD1 136 1.194 0.730 0.157
342LEU HD11 137 1.191 0.684 0.246
342LEU HD12 138 1.181 0.828 0.170
342LEU HD13 139 1.122 0.694 0.098
342LEU CD2 140 1.358 0.558 0.083
342LEU HD21 141 1.352 0.518 0.175
342LEU HD22 142 1.289 0.516 0.024
342LEU HD23 143 1.449 0.541 0.045
342LEU C 144 1.474 0.841 -0.247
342LEU O 145 1.512 0.958 -0.252
343HIS N 146 1.427 0.776 -0.353
343HIS HN 147 1.386 0.686 -0.341
343HIS CA 148 1.434 0.837 -0.487
343HIS HA 149 1.463 0.932 -0.477
343HIS CB 150 1.540 0.768 -0.573
343HIS HB1 151 1.524 0.669 -0.570
343HIS HB2 152 1.530 0.800 -0.668
343HIS CD2 153 1.759 0.739 -0.432
343HIS HD2 154 1.731 0.666 -0.370
343HIS CG 155 1.682 0.794 -0.530
343HIS NE2 156 1.882 0.801 -0.434
343HIS HE2 157 1.959 0.780 -0.375
343HIS ND1 158 1.761 0.893 -0.588
343HIS HD1 159 1.732 0.953 -0.662
343HIS CE1 160 1.879 0.895 -0.529
343HIS HE1 161 1.954 0.957 -0.552
343HIS C 162 1.295 0.832 -0.550
343HIS O 163 1.242 0.725 -0.575
344LYS N 164 1.233 0.948 -0.567
344LYS HN 165 1.280 1.031 -0.539
344LYS CA 166 1.100 0.959 -0.626
344LYS HA 167 1.041 0.892 -0.581
344LYS CB 168 1.046 1.099 -0.600
344LYS HB1 169 1.120 1.165 -0.616
344LYS HB2 170 0.971 1.117 -0.664
344LYS CG 171 0.995 1.119 -0.460
344LYS HG1 172 0.903 1.080 -0.458
344LYS HG2 173 1.055 1.065 -0.401
344LYS CD 174 0.990 1.268 -0.407
344LYS HD1 175 0.968 1.269 -0.309
344LYS HD2 176 1.078 1.313 -0.422
344LYS CE 177 0.885 1.347 -0.478
344LYS HE1 178 0.917 1.364 -0.571
344LYS HE2 179 0.801 1.293 -0.481
344LYS NZ 180 0.855 1.481 -0.409
344LYS HZ1 181 0.785 1.530 -0.461
344LYS HZ2 182 0.823 1.464 -0.316
344LYS HZ3 183 0.939 1.536 -0.406
344LYS C 184 1.106 0.929 -0.774
344LYS O 185 1.194 0.980 -0.842
345ARG N 186 1.013 0.848 -0.827
345ARG HN 187 0.948 0.804 -0.766
345ARG CA 188 1.002 0.823 -0.971
345ARG HA 189 1.097 0.820 -1.003
345ARG CB 190 0.930 0.690 -0.994
345ARG HB1 191 0.833 0.706 -0.979
345ARG HB2 192 0.946 0.664 -1.089
345ARG CG 193 0.980 0.574 -0.899
345ARG HG1 194 1.050 0.520 -0.946
345ARG HG2 195 1.018 0.612 -0.815
345ARG CD 196 0.863 0.480 -0.862
345ARG HD1 197 0.783 0.537 -0.840
345ARG HD2 198 0.842 0.423 -0.941
345ARG NE 199 0.883 0.389 -0.747
345ARG HE 200 0.816 0.392 -0.674
345ARG CZ 201 0.986 0.304 -0.735
345ARG NH1 202 1.082 0.301 -0.828
345ARG HH11 203 1.077 0.361 -0.907
345ARG HH12 204 1.158 0.237 -0.819
345ARG NH2 205 0.995 0.223 -0.627
345ARG HH21 206 0.925 0.226 -0.557
345ARG HH22 207 1.072 0.159 -0.619
345ARG C 208 0.929 0.935 -1.049
345ARG O 209 0.948 0.947 -1.170
346ASP N 210 0.851 1.018 -0.980
346ASP HN 211 0.827 0.994 -0.886
346ASP CA 212 0.797 1.142 -1.037
346ASP HA 213 0.865 1.176 -1.101
346ASP CB 214 0.669 1.118 -1.117
346ASP HB1 215 0.638 1.205 -1.156
346ASP HB2 216 0.687 1.053 -1.190
346ASP CG 217 0.559 1.065 -1.033
346ASP OD1 218 0.491 1.148 -0.967
346ASP OD2 219 0.544 0.941 -1.030
346ASP C 220 0.776 1.241 -0.924
346ASP O 221 0.775 1.205 -0.806
347SER N 222 0.753 1.366 -0.961
347SER HN 223 0.738 1.388 -1.058
347SER CA 224 0.750 1.473 -0.861
347SER HA 225 0.832 1.457 -0.805
347SER CB 226 0.756 1.610 -0.927
347SER HB1 227 0.753 1.683 -0.859
347SER HB2 228 0.838 1.619 -0.983
347SER OG 229 0.644 1.625 -1.013
347SER HG1 230 0.648 1.715 -1.057
347SER C 231 0.631 1.465 -0.769
347SER O 232 0.635 1.525 -0.660
348GLY N 233 0.526 1.391 -0.807
348GLY HN 234 0.528 1.344 -0.895
348GLY CA 235 0.410 1.378 -0.722
348GLY HA1 236 0.412 1.454 -0.658
348GLY HA2 237 0.329 1.385 -0.780
348GLY C 238 0.403 1.248 -0.644
348GLY O 239 0.302 1.223 -0.578
349GLU N 240 0.510 1.168 -0.643
349GLU HN 241 0.593 1.196 -0.690
349GLU CA 242 0.507 1.037 -0.572
349GLU HA 243 0.418 0.993 -0.590
349GLU CB 244 0.616 0.946 -0.623
349GLU HB1 245 0.609 0.940 -0.722
349GLU HB2 246 0.704 0.985 -0.598
349GLU CG 247 0.605 0.809 -0.565
349GLU HG1 248 0.619 0.816 -0.466
349GLU HG2 249 0.513 0.775 -0.583
349GLU CD 250 0.703 0.709 -0.618
349GLU OE1 251 0.804 0.745 -0.679
349GLU OE2 252 0.682 0.588 -0.595
349GLU C 253 0.518 1.058 -0.425
349GLU O 254 0.602 1.135 -0.380
350GLN N 255 0.439 0.985 -0.348
350GLN HN 256 0.371 0.925 -0.390
350GLN CA 257 0.449 0.991 -0.204
350GLN HA 258 0.469 1.086 -0.181
350GLN CB 259 0.317 0.951 -0.141
350GLN HB1 260 0.323 0.970 -0.043
350GLN HB2 261 0.245 1.008 -0.181
350GLN CG 262 0.278 0.804 -0.159
350GLN HG1 263 0.283 0.781 -0.256
350GLN HG2 264 0.341 0.747 -0.108
350GLN CD 265 0.138 0.777 -0.110
350GLN OE1 266 0.047 0.857 -0.133
350GLN NE2 267 0.120 0.666 -0.039
350GLN HE21 268 0.197 0.605 -0.021
350GLN HE22 269 0.029 0.643 -0.004
350GLN C 270 0.561 0.900 -0.156
350GLN O 271 0.600 0.807 -0.227
351LEU N 272 0.616 0.931 -0.040
351LEU HN 273 0.587 1.014 0.008
351LEU CA 274 0.719 0.847 0.020
351LEU HA 275 0.775 0.820 -0.058
351LEU CB 276 0.801 0.926 0.120
351LEU HB1 277 0.740 0.953 0.194
351LEU HB2 278 0.872 0.864 0.156
351LEU CG 279 0.870 1.051 0.068
351LEU HG 280 0.800 1.117 0.041
351LEU CD1 281 0.957 1.111 0.174
351LEU HD11 282 1.001 1.193 0.138
351LEU HD12 283 0.901 1.135 0.253
351LEU HD13 284 1.026 1.044 0.201
351LEU CD2 285 0.952 1.023 -0.052
351LEU HD21 286 0.996 1.108 -0.083
351LEU HD22 287 1.023 0.956 -0.029
351LEU HD23 288 0.894 0.987 -0.125
351LEU C 289 0.661 0.723 0.091
351LEU O 290 0.730 0.623 0.105
352GLY N 291 0.538 0.733 0.135
352GLY HN 292 0.487 0.817 0.118
352GLY CA 293 0.474 0.626 0.207
352GLY HA1 294 0.375 0.637 0.193
352GLY HA2 295 0.504 0.540 0.165
352GLY C 296 0.504 0.624 0.357
352GLY O 297 0.536 0.518 0.414
353ILE N 298 0.501 0.739 0.420
353ILE HN 299 0.475 0.821 0.369
353ILE CA 300 0.533 0.753 0.560
353ILE HA 301 0.540 0.660 0.594
353ILE CB 302 0.666 0.834 0.579
353ILE HB 303 0.654 0.928 0.547
353ILE CG2 304 0.703 0.851 0.722
353ILE HG21 305 0.788 0.903 0.729
353ILE HG22 306 0.630 0.901 0.769
353ILE HG23 307 0.715 0.761 0.764
353ILE CG1 308 0.780 0.772 0.498
353ILE HG11 309 0.805 0.685 0.540
353ILE HG12 310 0.747 0.756 0.405
353ILE CD 311 0.905 0.862 0.492
353ILE HD1 312 0.976 0.817 0.437
353ILE HD2 313 0.882 0.949 0.449
353ILE HD3 314 0.939 0.878 0.584
353ILE C 315 0.422 0.827 0.630
353ILE O 316 0.369 0.927 0.577
354LYS N 317 0.384 0.784 0.748
354LYS HN 318 0.420 0.697 0.780
354LYS CA 319 0.292 0.858 0.836
354LYS HA 320 0.241 0.923 0.779
354LYS CB 321 0.193 0.767 0.898
354LYS HB1 322 0.145 0.717 0.825
354LYS HB2 323 0.242 0.702 0.956
354LYS CG 324 0.090 0.833 0.982
354LYS HG1 325 0.134 0.869 1.064
354LYS HG2 326 0.050 0.909 0.929
354LYS CD 327 -0.018 0.731 1.019
354LYS HD1 328 -0.057 0.693 0.935
354LYS HD2 329 0.024 0.658 1.073
354LYS CE 330 -0.130 0.789 1.099
354LYS HE1 331 -0.095 0.814 1.189
354LYS HE2 332 -0.163 0.871 1.052
354LYS NZ 333 -0.247 0.691 1.116
354LYS HZ1 334 -0.319 0.735 1.171
354LYS HZ2 335 -0.283 0.666 1.027
354LYS HZ3 336 -0.214 0.609 1.163
354LYS C 337 0.372 0.929 0.941
354LYS O 338 0.441 0.864 1.019
355LEU N 339 0.368 1.060 0.940
355LEU HN 340 0.309 1.105 0.873
355LEU CA 341 0.446 1.146 1.031
355LEU HA 342 0.513 1.086 1.074
355LEU CB 343 0.514 1.261 0.953
355LEU HB1 344 0.444 1.306 0.897
355LEU HB2 345 0.550 1.327 1.019
355LEU CG 346 0.626 1.228 0.861
355LEU HG 347 0.588 1.172 0.787
355LEU CD1 348 0.689 1.353 0.804
355LEU HD11 349 0.764 1.328 0.743
355LEU HD12 350 0.621 1.405 0.753
355LEU HD13 351 0.725 1.410 0.879
355LEU CD2 352 0.730 1.149 0.933
355LEU HD21 353 0.804 1.128 0.870
355LEU HD22 354 0.765 1.203 1.009
355LEU HD23 355 0.689 1.065 0.967
355LEU C 356 0.351 1.206 1.134
355LEU O 357 0.244 1.253 1.098
356VAL N 358 0.395 1.212 1.259
356VAL HN 359 0.487 1.178 1.278
356VAL CA 360 0.318 1.266 1.368
356VAL HA 361 0.247 1.320 1.323
356VAL CB 362 0.256 1.153 1.454
356VAL HB 363 0.194 1.189 1.523
356VAL CG1 364 0.169 1.067 1.371
356VAL HG11 365 0.131 0.994 1.427
356VAL HG12 366 0.096 1.122 1.332
356VAL HG13 367 0.223 1.026 1.297
356VAL CG2 368 0.366 1.076 1.530
356VAL HG21 369 0.324 1.003 1.585
356VAL HG22 370 0.430 1.036 1.465
356VAL HG23 371 0.415 1.139 1.591
356VAL C 372 0.402 1.358 1.457
356VAL O 373 0.524 1.352 1.461
357ARG N 374 0.330 1.445 1.524
357ARG HN 375 0.235 1.460 1.497
357ARG CA 376 0.384 1.522 1.637
357ARG HA 377 0.484 1.517 1.630
357ARG CB 378 0.336 1.671 1.631
357ARG HB1 379 0.386 1.725 1.699
357ARG HB2 380 0.354 1.708 1.539
357ARG CG 381 0.191 1.696 1.657
357ARG HG1 382 0.137 1.639 1.595
357ARG HG2 383 0.171 1.671 1.752
357ARG CD 384 0.156 1.841 1.635
357ARG HD1 385 0.213 1.898 1.694
357ARG HD2 386 0.172 1.865 1.539
357ARG NE 387 0.015 1.865 1.667
357ARG HE 388 -0.028 1.803 1.732
357ARG CZ 389 -0.061 1.962 1.616
357ARG NH1 390 -0.009 2.047 1.531
357ARG HH11 391 0.087 2.039 1.504
357ARG HH12 392 -0.066 2.120 1.492
357ARG NH2 393 -0.188 1.970 1.650
357ARG HH21 394 -0.227 1.903 1.713
357ARG HH22 395 -0.245 2.042 1.612
357ARG C 396 0.340 1.457 1.765
357ARG O 397 0.242 1.384 1.767
358ARG N 398 0.412 1.491 1.871
358ARG HN 399 0.493 1.548 1.856
358ARG CA 400 0.382 1.451 2.006
358ARG HA 401 0.297 1.398 2.000
358ARG CB 402 0.498 1.369 2.061
358ARG HB1 403 0.582 1.421 2.051
358ARG HB2 404 0.481 1.350 2.158
358ARG CG 405 0.515 1.239 1.992
358ARG HG1 406 0.432 1.185 2.007
358ARG HG2 407 0.525 1.258 1.894
358ARG CD 408 0.636 1.157 2.039
358ARG HD1 409 0.720 1.210 2.025
358ARG HD2 410 0.626 1.135 2.137
358ARG NE 411 0.648 1.031 1.965
358ARG HE 412 0.574 1.010 1.900
358ARG CZ 413 0.747 0.942 1.975
358ARG NH1 414 0.848 0.960 2.061
358ARG HH11 415 0.851 1.041 2.120
358ARG HH12 416 0.921 0.891 2.067
358ARG NH2 417 0.745 0.833 1.898
358ARG HH21 418 0.670 0.819 1.833
358ARG HH22 419 0.818 0.766 1.904
358ARG C 420 0.365 1.575 2.094
358ARG O 421 0.438 1.675 2.082
359THR N 422 0.272 1.572 2.188
359THR HN 423 0.215 1.491 2.198
359THR CA 424 0.253 1.686 2.274
359THR HA 425 0.257 1.766 2.214
359THR CB 426 0.116 1.679 2.342
359THR HB 427 0.109 1.747 2.415
359THR OG1 428 0.098 1.551 2.405
359THR HG1 429 0.008 1.547 2.449
359THR CG2 430 0.007 1.695 2.236
359THR HG21 431 -0.083 1.690 2.279
359THR HG22 432 0.018 1.784 2.191
359THR HG23 433 0.015 1.622 2.168
359THR C 434 0.364 1.698 2.377
359THR O 435 0.396 1.809 2.422
360ASP N 436 0.424 1.583 2.415
360ASP HN 437 0.404 1.499 2.364
360ASP CA 438 0.517 1.578 2.528
360ASP HA 439 0.493 1.660 2.580
360ASP CB 440 0.495 1.447 2.602
360ASP HB1 441 0.545 1.450 2.688
360ASP HB2 442 0.397 1.437 2.621
360ASP CG 443 0.541 1.327 2.523
360ASP OD1 444 0.554 1.332 2.399
360ASP OD2 445 0.564 1.223 2.588
360ASP C 446 0.664 1.589 2.493
360ASP O 447 0.747 1.588 2.582
361GLU N 448 0.698 1.599 2.366
361GLU HN 449 0.629 1.589 2.295
361GLU CA 450 0.836 1.622 2.329
361GLU HA 451 0.872 1.686 2.397
361GLU CB 452 0.922 1.496 2.335
361GLU HB1 453 1.014 1.519 2.306
361GLU HB2 454 0.924 1.463 2.429
361GLU CG 455 0.872 1.387 2.248
361GLU HG1 456 0.785 1.356 2.285
361GLU HG2 457 0.858 1.424 2.156
361GLU CD 458 0.969 1.268 2.240
361GLU OE1 459 1.091 1.287 2.231
361GLU OE2 460 0.921 1.154 2.240
361GLU C 461 0.835 1.682 2.192
361GLU O 462 0.739 1.663 2.116
362PRO N 463 0.937 1.761 2.162
362PRO CD 464 1.054 1.797 2.242
362PRO HD1 465 1.095 1.716 2.283
362PRO HD2 466 1.029 1.862 2.314
362PRO CA 467 0.938 1.823 2.032
362PRO HA 468 0.848 1.860 2.009
362PRO CB 469 1.052 1.925 2.045
362PRO HB1 470 1.098 1.940 1.958
362PRO HB2 471 1.018 2.013 2.080
362PRO CG 472 1.144 1.859 2.146
362PRO HG1 473 1.201 1.789 2.103
362PRO HG2 474 1.202 1.926 2.192
362PRO C 475 0.977 1.721 1.926
362PRO O 476 1.035 1.615 1.953
363GLY N 477 0.954 1.761 1.802
363GLY HN 478 0.904 1.846 1.788
363GLY CA 479 0.999 1.686 1.688
363GLY HA1 480 1.054 1.748 1.632
363GLY HA2 481 1.057 1.612 1.723
363GLY C 482 0.891 1.626 1.603
363GLY O 483 0.773 1.631 1.631
364VAL N 484 0.939 1.561 1.498
364VAL HN 485 1.038 1.557 1.486
364VAL CA 486 0.854 1.496 1.401
364VAL HA 487 0.759 1.509 1.427
364VAL CB 488 0.872 1.557 1.261
364VAL HB 489 0.966 1.543 1.229
364VAL CG1 490 0.779 1.498 1.169
364VAL HG11 491 0.791 1.538 1.078
364VAL HG12 492 0.795 1.399 1.164
364VAL HG13 493 0.685 1.514 1.201
364VAL CG2 494 0.841 1.701 1.263
364VAL HG21 495 0.854 1.739 1.172
364VAL HG22 496 0.746 1.714 1.293
364VAL HG23 497 0.902 1.747 1.328
364VAL C 498 0.895 1.350 1.401
364VAL O 499 1.015 1.319 1.394
365PHE N 500 0.795 1.262 1.413
365PHE HN 501 0.701 1.294 1.410
365PHE CA 502 0.821 1.120 1.429
365PHE HA 503 0.919 1.110 1.415
365PHE CB 504 0.779 1.075 1.569
365PHE HB1 505 0.680 1.090 1.580
365PHE HB2 506 0.799 0.977 1.579
365PHE CG 507 0.849 1.148 1.679
365PHE CD1 508 0.960 1.097 1.737
365PHE HD1 509 0.995 1.008 1.708
365PHE CE1 510 1.027 1.169 1.838
365PHE HE1 511 1.112 1.133 1.877
365PHE CZ 512 0.976 1.287 1.881
365PHE HZ 513 1.022 1.336 1.955
365PHE CD2 514 0.800 1.270 1.725
365PHE HD2 515 0.717 1.309 1.684
365PHE CE2 516 0.865 1.338 1.826
365PHE HE2 517 0.829 1.426 1.859
365PHE C 518 0.749 1.037 1.326
365PHE O 519 0.641 1.070 1.282
366ILE N 520 0.812 0.924 1.293
366ILE HN 521 0.904 0.906 1.329
366ILE CA 522 0.747 0.828 1.207
366ILE HA 523 0.693 0.883 1.144
366ILE CB 524 0.851 0.743 1.130
366ILE HB 525 0.915 0.699 1.193
366ILE CG2 526 0.777 0.631 1.049
366ILE HG21 527 0.844 0.576 0.999
366ILE HG22 528 0.726 0.572 1.112
366ILE HG23 529 0.714 0.673 0.984
366ILE CG1 530 0.933 0.833 1.039
366ILE HG11 531 0.872 0.875 0.972
366ILE HG12 532 0.974 0.905 1.095
366ILE CD 533 1.044 0.761 0.965
366ILE HD1 534 1.094 0.826 0.908
366ILE HD2 535 1.107 0.719 1.032
366ILE HD3 536 1.004 0.689 0.908
366ILE C 537 0.658 0.737 1.290
366ILE O 538 0.705 0.675 1.383
367LEU N 539 0.530 0.731 1.255
367LEU HN 540 0.496 0.791 1.182
367LEU CA 541 0.439 0.640 1.320
367LEU HA 542 0.473 0.632 1.414
367LEU CB 543 0.298 0.698 1.319
367LEU HB1 544 0.304 0.792 1.352
367LEU HB2 545 0.266 0.697 1.225
367LEU CG 546 0.196 0.622 1.407
367LEU HG 547 0.203 0.524 1.389
367LEU CD1 548 0.225 0.641 1.552
367LEU HD11 549 0.157 0.590 1.606
367LEU HD12 550 0.316 0.606 1.573
367LEU HD13 551 0.220 0.738 1.575
367LEU CD2 552 0.056 0.670 1.375
367LEU HD21 553 -0.010 0.621 1.432
367LEU HD22 554 0.050 0.768 1.394
367LEU HD23 555 0.036 0.653 1.279
367LEU C 556 0.442 0.504 1.257
367LEU O 557 0.451 0.403 1.326
368ASP N 558 0.433 0.500 1.125
368ASP HN 559 0.438 0.586 1.074
368ASP CA 560 0.416 0.376 1.050
368ASP HA 561 0.477 0.308 1.091
368ASP CB 562 0.271 0.322 1.061
368ASP HB1 563 0.240 0.335 1.155
368ASP HB2 564 0.214 0.375 0.998
368ASP CG 565 0.259 0.173 1.025
368ASP OD1 566 0.358 0.109 0.983
368ASP OD2 567 0.147 0.120 1.035
368ASP C 568 0.454 0.403 0.905
368ASP O 569 0.463 0.519 0.863
369LEU N 570 0.478 0.295 0.831
369LEU HN 571 0.476 0.205 0.875
369LEU CA 572 0.507 0.300 0.689
369LEU HA 573 0.519 0.397 0.667
369LEU CB 574 0.633 0.222 0.657
369LEU HB1 575 0.619 0.128 0.688
369LEU HB2 576 0.645 0.224 0.558
369LEU CG 577 0.764 0.269 0.718
369LEU HG 578 0.765 0.247 0.815
369LEU CD1 579 0.876 0.200 0.649
369LEU HD11 580 0.963 0.230 0.688
369LEU HD12 581 0.867 0.101 0.661
369LEU HD13 582 0.874 0.222 0.552
369LEU CD2 583 0.782 0.419 0.701
369LEU HD21 584 0.868 0.447 0.742
369LEU HD22 585 0.782 0.442 0.604
369LEU HD23 586 0.706 0.467 0.746
369LEU C 587 0.392 0.241 0.611
369LEU O 588 0.338 0.138 0.652
370LEU N 589 0.361 0.296 0.495
370LEU HN 590 0.415 0.372 0.458
370LEU CA 591 0.248 0.247 0.421
370LEU HA 592 0.183 0.219 0.492
370LEU CB 593 0.187 0.354 0.334
370LEU HB1 594 0.257 0.384 0.270
370LEU HB2 595 0.111 0.313 0.284
370LEU CG 596 0.134 0.478 0.405
370LEU HG 597 0.215 0.531 0.430
370LEU CD1 598 0.050 0.565 0.318
370LEU HD11 599 0.019 0.644 0.370
370LEU HD12 600 0.105 0.596 0.240
370LEU HD13 601 -0.029 0.513 0.285
370LEU CD2 602 0.060 0.448 0.531
370LEU HD21 603 0.028 0.533 0.572
370LEU HD22 604 -0.018 0.389 0.510
370LEU HD23 605 0.121 0.400 0.594
370LEU C 606 0.288 0.130 0.336
370LEU O 607 0.389 0.129 0.275
371GLU N 608 0.198 0.032 0.333
371GLU HN 609 0.119 0.039 0.395
371GLU CA 610 0.206 -0.084 0.247
371GLU HA 611 0.275 -0.143 0.290
371GLU CB 612 0.069 -0.153 0.241
371GLU HB1 613 0.031 -0.157 0.333
371GLU HB2 614 0.009 -0.099 0.181
371GLU CG 615 0.075 -0.293 0.186
371GLU HG1 616 0.111 -0.290 0.093
371GLU HG2 617 0.135 -0.348 0.244
371GLU CD 618 -0.062 -0.357 0.183
371GLU OE1 619 -0.151 -0.311 0.257
371GLU OE2 620 -0.082 -0.453 0.106
371GLU C 621 0.252 -0.048 0.107
371GLU O 622 0.190 0.031 0.039
372GLY N 623 0.364 -0.105 0.067
372GLY HN 624 0.420 -0.154 0.134
372GLY CA 625 0.409 -0.098 -0.070
372GLY HA1 626 0.474 -0.174 -0.081
372GLY HA2 627 0.329 -0.114 -0.127
372GLY C 628 0.476 0.030 -0.115
372GLY O 629 0.513 0.043 -0.227
373GLY N 630 0.487 0.125 -0.025
373GLY HN 631 0.453 0.109 0.067
373GLY CA 632 0.548 0.250 -0.057
373GLY HA1 633 0.507 0.279 -0.144
373GLY HA2 634 0.520 0.313 0.015
373GLY C 635 0.698 0.254 -0.070
373GLY O 636 0.762 0.160 -0.037
374LEU N 637 0.753 0.367 -0.117
374LEU HN 638 0.695 0.444 -0.141
374LEU CA 639 0.897 0.378 -0.133
374LEU HA 640 0.921 0.309 -0.201
374LEU CB 641 0.931 0.521 -0.178
374LEU HB1 642 0.868 0.583 -0.131
374LEU HB2 643 1.025 0.540 -0.148
374LEU CG 644 0.925 0.557 -0.324
374LEU HG 645 0.834 0.541 -0.362
374LEU CD1 646 0.965 0.703 -0.333
374LEU HD11 647 0.963 0.733 -0.429
374LEU HD12 648 0.901 0.758 -0.280
374LEU HD13 649 1.058 0.715 -0.297
374LEU CD2 650 1.019 0.473 -0.403
374LEU HD21 651 1.014 0.498 -0.499
374LEU HD22 652 1.112 0.487 -0.370
374LEU HD23 653 0.994 0.377 -0.392
374LEU C 654 0.969 0.348 -0.005
374LEU O 655 1.072 0.279 -0.008
375ALA N 656 0.924 0.403 0.107
375ALA HN 657 0.841 0.459 0.105
375ALA CA 658 0.993 0.383 0.232
375ALA HA 659 1.089 0.408 0.214
375ALA CB 660 0.933 0.474 0.339
375ALA HB1 661 0.981 0.460 0.426
375ALA HB2 662 0.942 0.569 0.311
375ALA HB3 663 0.836 0.451 0.351
375ALA C 664 0.993 0.236 0.274
375ALA O 665 1.095 0.184 0.321
376ALA N 666 0.879 0.171 0.261
376ALA HN 667 0.799 0.219 0.227
376ALA CA 668 0.869 0.031 0.294
376ALA HA 669 0.901 0.024 0.389
376ALA CB 670 0.725 -0.015 0.289
376ALA HB1 671 0.721 -0.112 0.313
376ALA HB2 672 0.671 0.038 0.355
376ALA HB3 673 0.689 -0.001 0.197
376ALA C 674 0.959 -0.053 0.206
376ALA O 675 1.022 -0.148 0.252
377GLN N 676 0.963 -0.023 0.077
377GLN HN 677 0.905 0.052 0.043
377GLN CA 678 1.047 -0.095 -0.014
377GLN HA 679 1.018 -0.190 -0.003
377GLN CB 680 1.024 -0.052 -0.158
377GLN HB1 681 1.030 0.048 -0.162
377GLN HB2 682 1.094 -0.093 -0.215
377GLN CG 683 0.892 -0.090 -0.214
377GLN HG1 684 0.886 -0.190 -0.216
377GLN HG2 685 0.820 -0.053 -0.156
377GLN CD 686 0.876 -0.037 -0.355
377GLN OE1 687 0.961 -0.060 -0.440
377GLN NE2 688 0.769 0.035 -0.378
377GLN HE21 689 0.703 0.053 -0.305
377GLN HE22 690 0.754 0.073 -0.470
377GLN C 691 1.195 -0.083 0.023
377GLN O 692 1.271 -0.179 0.011
378ASP N 693 1.236 0.037 0.062
378ASP HN 694 1.171 0.113 0.062
378ASP CA 695 1.372 0.063 0.103
378ASP HA 696 1.430 0.029 0.029
378ASP CB 697 1.394 0.211 0.119
378ASP HB1 698 1.383 0.255 0.030
378ASP HB2 699 1.325 0.247 0.182
378ASP CG 700 1.529 0.246 0.173
378ASP OD1 701 1.625 0.254 0.093
378ASP OD2 702 1.541 0.258 0.296
378ASP C 703 1.410 -0.016 0.226
378ASP O 704 1.523 -0.067 0.235
379GLY N 705 1.320 -0.025 0.324
379GLY HN 706 1.238 0.033 0.318
379GLY CA 707 1.334 -0.115 0.438
379GLY HA1 708 1.242 -0.137 0.471
379GLY HA2 709 1.378 -0.199 0.405
379GLY C 710 1.413 -0.063 0.554
379GLY O 711 1.431 -0.135 0.650
380ARG N 712 1.461 0.059 0.552
380ARG HN 713 1.439 0.118 0.474
380ARG CA 714 1.544 0.111 0.660
380ARG HA 715 1.579 0.027 0.703
380ARG CB 716 1.657 0.195 0.607
380ARG HB1 717 1.619 0.264 0.544
380ARG HB2 718 1.702 0.241 0.683
380ARG CG 719 1.758 0.111 0.532
380ARG HG1 720 1.798 0.045 0.595
380ARG HG2 721 1.712 0.063 0.458
380ARG CD 722 1.870 0.193 0.473
380ARG HD1 723 1.905 0.256 0.542
380ARG HD2 724 1.944 0.132 0.443
380ARG NE 725 1.824 0.271 0.358
380ARG HE 726 1.728 0.265 0.333
380ARG CZ 727 1.903 0.350 0.285
380ARG NH1 728 2.030 0.365 0.317
380ARG HH11 729 2.067 0.317 0.396
380ARG HH12 730 2.089 0.424 0.262
380ARG NH2 731 1.853 0.413 0.180
380ARG HH21 732 1.756 0.401 0.155
380ARG HH22 733 1.912 0.472 0.124
380ARG C 734 1.467 0.188 0.767
380ARG O 735 1.504 0.177 0.882
381LEU N 736 1.368 0.264 0.730
381LEU HN 737 1.342 0.267 0.633
381LEU CA 738 1.293 0.344 0.828
381LEU HA 739 1.361 0.388 0.887
381LEU CB 740 1.210 0.448 0.755
381LEU HB1 741 1.150 0.400 0.691
381LEU HB2 742 1.154 0.496 0.823
381LEU CG 743 1.291 0.552 0.678
381LEU HG 744 1.352 0.500 0.617
381LEU CD1 745 1.200 0.641 0.591
381LEU HD11 746 1.255 0.708 0.541
381LEU HD12 747 1.150 0.584 0.525
381LEU HD13 748 1.134 0.689 0.649
381LEU CD2 749 1.378 0.641 0.775
381LEU HD21 750 1.430 0.708 0.721
381LEU HD22 751 1.318 0.690 0.839
381LEU HD23 752 1.442 0.583 0.826
381LEU C 753 1.204 0.258 0.913
381LEU O 754 1.163 0.153 0.869
382SER N 755 1.174 0.306 1.034
382SER HN 756 1.204 0.398 1.059
382SER CA 757 1.098 0.227 1.132
382SER HA 758 1.042 0.164 1.078
382SER CB 759 1.196 0.153 1.223
382SER HB1 760 1.250 0.087 1.171
382SER HB2 761 1.257 0.217 1.270
382SER OG 762 1.129 0.079 1.324
382SER HG1 763 1.196 0.032 1.381
382SER C 764 1.006 0.316 1.216
382SER O 765 1.035 0.434 1.241
383SER N 766 0.897 0.256 1.262
383SER HN 767 0.871 0.167 1.225
383SER CA 768 0.813 0.317 1.364
383SER HA 769 0.769 0.396 1.321
383SER CB 770 0.707 0.215 1.413
383SER HB1 771 0.650 0.183 1.337
383SER HB2 772 0.750 0.137 1.458
383SER OG 773 0.621 0.276 1.506
383SER HG1 774 0.553 0.210 1.537
383SER C 775 0.897 0.368 1.480
383SER O 776 0.984 0.300 1.527
384ASN N 777 0.865 0.490 1.521
384ASN HN 778 0.791 0.535 1.470
384ASN CA 779 0.923 0.569 1.630
384ASN HA 780 0.855 0.642 1.641
384ASN CB 781 0.930 0.486 1.758
384ASN HB1 782 0.973 0.398 1.737
384ASN HB2 783 0.985 0.535 1.826
384ASN CG 784 0.792 0.462 1.814
384ASN OD1 785 0.714 0.556 1.834
384ASN ND2 786 0.758 0.339 1.832
384ASN HD21 787 0.821 0.266 1.808
384ASN HD22 788 0.668 0.318 1.869
384ASN C 789 1.058 0.637 1.600
384ASN O 790 1.111 0.706 1.689
385ASP N 791 1.106 0.628 1.475
385ASP HN 792 1.064 0.564 1.410
385ASP CA 793 1.218 0.709 1.433
385ASP HA 794 1.290 0.690 1.500
385ASP CB 795 1.262 0.672 1.292
385ASP HB1 796 1.181 0.669 1.234
385ASP HB2 797 1.324 0.744 1.259
385ASP CG 798 1.335 0.538 1.278
385ASP OD1 799 1.377 0.483 1.381
385ASP OD2 800 1.353 0.498 1.163
385ASP C 801 1.184 0.854 1.439
385ASP O 802 1.074 0.895 1.398
386ARG N 803 1.276 0.938 1.484
386ARG HN 804 1.359 0.899 1.522
386ARG CA 805 1.264 1.081 1.481
386ARG HA 806 1.165 1.098 1.479
386ARG CB 807 1.324 1.143 1.605
386ARG HB1 808 1.277 1.106 1.685
386ARG HB2 809 1.421 1.119 1.609
386ARG CG 810 1.312 1.289 1.608
386ARG HG1 811 1.362 1.326 1.529
386ARG HG2 812 1.216 1.313 1.600
386ARG CD 813 1.368 1.348 1.733
386ARG HD1 814 1.319 1.311 1.812
386ARG HD2 815 1.465 1.326 1.740
386ARG NE 816 1.355 1.492 1.736
386ARG HE 817 1.311 1.537 1.658
386ARG CZ 818 1.397 1.567 1.834
386ARG NH1 819 1.459 1.509 1.936
386ARG HH11 820 1.473 1.410 1.936
386ARG HH12 821 1.493 1.565 2.012
386ARG NH2 822 1.383 1.698 1.833
386ARG HH21 823 1.340 1.742 1.755
386ARG HH22 824 1.417 1.752 1.909
386ARG C 825 1.333 1.140 1.356
386ARG O 826 1.443 1.112 1.332
387VAL N 827 1.261 1.220 1.279
387VAL HN 828 1.166 1.238 1.302
387VAL CA 829 1.321 1.282 1.158
387VAL HA 830 1.388 1.219 1.119
387VAL CB 831 1.214 1.310 1.051
387VAL HB 832 1.143 1.372 1.085
387VAL CG1 833 1.284 1.371 0.928
387VAL HG11 834 1.217 1.390 0.857
387VAL HG12 835 1.329 1.457 0.955
387VAL HG13 836 1.353 1.307 0.893
387VAL CG2 837 1.140 1.183 1.016
387VAL HG21 838 1.071 1.203 0.946
387VAL HG22 839 1.205 1.116 0.980
387VAL HG23 840 1.096 1.147 1.098
387VAL C 841 1.388 1.412 1.203
387VAL O 842 1.322 1.507 1.242
388LEU N 843 1.520 1.416 1.197
388LEU HN 844 1.568 1.334 1.164
388LEU CA 845 1.600 1.532 1.235
388LEU HA 846 1.547 1.574 1.308
388LEU CB 847 1.738 1.488 1.281
388LEU HB1 848 1.783 1.441 1.204
388LEU HB2 849 1.790 1.570 1.304
388LEU CG 850 1.742 1.395 1.402
388LEU HG 851 1.686 1.313 1.386
388LEU CD1 852 1.889 1.357 1.428
388LEU HD11 853 1.894 1.295 1.507
388LEU HD12 854 1.926 1.310 1.347
388LEU HD13 855 1.942 1.439 1.446
388LEU CD2 856 1.679 1.456 1.519
388LEU HD21 857 1.683 1.392 1.596
388LEU HD22 858 1.727 1.540 1.543
388LEU HD23 859 1.584 1.477 1.499
388LEU C 860 1.615 1.633 1.122
388LEU O 861 1.626 1.752 1.150
389ALA N 862 1.619 1.588 0.999
389ALA HN 863 1.604 1.491 0.983
389ALA CA 864 1.644 1.677 0.883
389ALA HA 865 1.591 1.761 0.896
389ALA CB 866 1.790 1.714 0.873
389ALA HB1 867 1.804 1.774 0.794
389ALA HB2 868 1.818 1.762 0.956
389ALA HB3 869 1.845 1.631 0.862
389ALA C 870 1.600 1.605 0.759
389ALA O 871 1.603 1.481 0.752
390ILE N 872 1.562 1.686 0.663
390ILE HN 873 1.552 1.783 0.684
390ILE CA 874 1.534 1.643 0.527
390ILE HA 875 1.569 1.550 0.525
390ILE CB 876 1.386 1.639 0.497
390ILE HB 877 1.347 1.731 0.507
390ILE CG2 878 1.362 1.597 0.356
390ILE HG21 879 1.264 1.595 0.338
390ILE HG22 880 1.406 1.662 0.294
390ILE HG23 881 1.400 1.506 0.342
390ILE CG1 882 1.315 1.547 0.595
390ILE HG11 883 1.350 1.455 0.582
390ILE HG12 884 1.335 1.578 0.688
390ILE CD 885 1.167 1.544 0.577
390ILE HD1 886 1.127 1.482 0.645
390ILE HD2 887 1.130 1.636 0.591
390ILE HD3 888 1.145 1.513 0.485
390ILE C 889 1.604 1.735 0.425
390ILE O 890 1.587 1.849 0.425
391ASN N 891 1.687 1.673 0.344
391ASN HN 892 1.697 1.574 0.351
391ASN CA 893 1.764 1.744 0.244
391ASN HA 894 1.834 1.680 0.211
391ASN CB 895 1.673 1.781 0.133
391ASN HB1 896 1.590 1.821 0.172
391ASN HB2 897 1.719 1.849 0.076
391ASN CG 898 1.634 1.661 0.045
391ASN OD1 899 1.692 1.561 0.051
391ASN ND2 900 1.535 1.679 -0.038
391ASN HD21 901 1.490 1.768 -0.043
391ASN HD22 902 1.505 1.605 -0.097
391ASN C 903 1.837 1.866 0.301
391ASN O 904 1.845 1.967 0.241
392GLY N 905 1.894 1.846 0.419
392GLY HN 906 1.886 1.756 0.463
392GLY CA 907 1.967 1.953 0.484
392GLY HA1 908 2.027 1.910 0.552
392GLY HA2 909 2.022 1.998 0.414
392GLY C 910 1.879 2.055 0.552
392GLY O 911 1.937 2.144 0.616
393HIS N 912 1.749 2.044 0.546
393HIS HN 913 1.710 1.969 0.492
393HIS CA 914 1.656 2.134 0.615
393HIS HA 915 1.700 2.224 0.621
393HIS CB 916 1.527 2.142 0.535
393HIS HB1 917 1.489 2.050 0.526
393HIS HB2 918 1.462 2.200 0.584
393HIS CD2 919 1.586 2.143 0.282
393HIS HD2 920 1.614 2.048 0.270
393HIS CG 921 1.543 2.198 0.397
393HIS NE2 922 1.584 2.240 0.185
393HIS HE2 923 1.611 2.228 0.090
393HIS ND1 924 1.518 2.329 0.366
393HIS HD1 925 1.488 2.399 0.431
393HIS CE1 926 1.539 2.351 0.238
393HIS HE1 927 1.524 2.437 0.189
393HIS C 928 1.627 2.079 0.754
393HIS O 929 1.584 1.965 0.768
394ASP N 930 1.653 2.159 0.854
394ASP HN 931 1.683 2.252 0.835
394ASP CA 932 1.638 2.117 0.994
394ASP HA 933 1.684 2.028 1.004
394ASP CB 934 1.702 2.225 1.082
394ASP HB1 935 1.797 2.239 1.053
394ASP HB2 936 1.652 2.311 1.070
394ASP CG 937 1.704 2.193 1.226
394ASP OD1 938 1.687 2.082 1.270
394ASP OD2 939 1.717 2.291 1.300
394ASP C 940 1.494 2.095 1.031
394ASP O 941 1.410 2.182 1.009
395LEU N 942 1.465 1.983 1.094
395LEU HN 943 1.539 1.918 1.110
395LEU CA 944 1.333 1.946 1.143
395LEU HA 945 1.276 2.028 1.129
395LEU CB 946 1.274 1.834 1.061
395LEU HB1 947 1.346 1.768 1.044
395LEU HB2 948 1.201 1.792 1.115
395LEU CG 949 1.215 1.878 0.928
395LEU HG 950 1.281 1.938 0.883
395LEU CD1 951 1.185 1.758 0.842
395LEU HD11 952 1.146 1.788 0.755
395LEU HD12 953 1.269 1.707 0.826
395LEU HD13 954 1.119 1.699 0.889
395LEU CD2 955 1.098 1.962 0.942
395LEU HD21 956 1.064 1.987 0.851
395LEU HD22 957 1.027 1.912 0.991
395LEU HD23 958 1.122 2.044 0.992
395LEU C 959 1.334 1.912 1.290
395LEU O 960 1.233 1.862 1.343
396LYS N 961 1.440 1.945 1.363
396LYS HN 962 1.516 1.995 1.322
396LYS CA 963 1.445 1.908 1.507
396LYS HA 964 1.442 1.809 1.511
396LYS CB 965 1.574 1.959 1.568
396LYS HB1 966 1.650 1.919 1.516
396LYS HB2 967 1.576 2.058 1.559
396LYS CG 968 1.599 1.928 1.710
396LYS HG1 969 1.527 1.970 1.765
396LYS HG2 970 1.596 1.828 1.722
396LYS CD 971 1.736 1.982 1.752
396LYS HD1 972 1.807 1.939 1.695
396LYS HD2 973 1.738 2.081 1.738
396LYS CE 974 1.768 1.952 1.900
396LYS HE1 975 1.699 1.995 1.959
396LYS HE2 976 1.768 1.854 1.916
396LYS NZ 977 1.899 2.005 1.936
396LYS HZ1 978 1.917 1.985 2.032
396LYS HZ2 979 1.969 1.963 1.879
396LYS HZ3 980 1.900 2.104 1.922
396LYS C 981 1.325 1.961 1.582
396LYS O 982 1.269 1.893 1.667
397TYR N 983 1.287 2.086 1.554
397TYR HN 984 1.339 2.138 1.486
397TYR CA 985 1.173 2.151 1.618
397TYR HA 986 1.137 2.085 1.684
397TYR CB 987 1.219 2.281 1.688
397TYR HB1 988 1.261 2.341 1.620
397TYR HB2 989 1.139 2.326 1.727
397TYR CG 990 1.317 2.256 1.797
397TYR CD1 991 1.278 2.213 1.923
397TYR HD1 992 1.181 2.198 1.942
397TYR CE1 993 1.372 2.191 2.024
397TYR HE1 994 1.343 2.161 2.115
397TYR CZ 995 1.503 2.210 1.997
397TYR OH 996 1.593 2.186 2.099
397TYR HH 997 1.686 2.204 2.066
397TYR CD2 998 1.454 2.272 1.775