NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
635934 |
6qbj   |
27730 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H1 VAL 1 16.886 9.945 -7.350
2 H2 VAL 1 H2 VAL 1 16.734 8.585 -8.240
3 H3 VAL 1 H3 VAL 1 18.216 9.090 -7.749
4 HA VAL 1 HA VAL 1 16.056 8.204 -5.950
5 HB VAL 1 HB VAL 1 17.552 6.284 -5.389
6 HG11 VAL 1 HG11 VAL 1 15.548 6.036 -6.802
7 HG12 VAL 1 HG12 VAL 1 16.540 6.300 -8.258
8 HG13 VAL 1 HG13 VAL 1 16.827 4.890 -7.224
9 HG21 VAL 1 HG21 VAL 1 19.218 5.489 -6.950
10 HG22 VAL 1 HG22 VAL 1 18.993 6.885 -8.012
11 HG23 VAL 1 HG23 VAL 1 19.697 7.092 -6.388
12 H VAL 2 H VAL 2 16.470 8.217 -3.758
13 HA VAL 2 HA VAL 2 19.041 9.377 -2.765
14 HB VAL 2 HB VAL 2 17.843 10.753 -1.135
15 HG11 VAL 2 HG11 VAL 2 16.900 11.419 -3.942
16 HG12 VAL 2 HG12 VAL 2 17.120 12.529 -2.579
17 HG13 VAL 2 HG13 VAL 2 18.529 11.736 -3.302
18 HG21 VAL 2 HG21 VAL 2 15.703 9.520 -0.953
19 HG22 VAL 2 HG22 VAL 2 15.445 11.223 -1.330
20 HG23 VAL 2 HG23 VAL 2 15.274 10.008 -2.610
21 H PHE 3 H PHE 3 17.869 6.615 -2.890
22 HA PHE 3 HA PHE 3 17.127 4.863 -1.697
23 HB2 PHE 3 HB2 PHE 3 19.693 5.212 -1.075
24 HB3 PHE 3 HB3 PHE 3 19.253 5.634 0.312
25 HD1 PHE 3 HD1 PHE 3 19.186 3.962 2.009
26 HD2 PHE 3 HD2 PHE 3 18.371 2.831 -2.074
27 HE1 PHE 3 HE1 PHE 3 18.998 1.583 2.700
28 HE2 PHE 3 HE2 PHE 3 18.167 0.459 -1.375
29 HZ PHE 3 HZ PHE 3 18.484 -0.171 1.011
30 H TYR 4 H TYR 4 15.484 6.998 -1.271
31 HA TYR 4 HA TYR 4 13.716 7.725 -0.101
32 HB2 TYR 4 HB2 TYR 4 13.522 5.021 1.129
33 HB3 TYR 4 HB3 TYR 4 12.352 5.966 0.817
34 HD1 TYR 4 HD1 TYR 4 11.716 6.621 -1.588
35 HD2 TYR 4 HD2 TYR 4 14.531 3.484 -0.659
36 HE1 TYR 4 HE1 TYR 4 11.479 5.714 -3.901
37 HE2 TYR 4 HE2 TYR 4 14.296 2.586 -2.968
38 HH TYR 4 HH TYR 4 13.298 2.831 -5.013
39 H VAL 5 H VAL 5 16.335 8.110 1.452
40 HA VAL 5 HA VAL 5 16.030 7.705 4.167
41 HB VAL 5 HB VAL 5 17.567 9.602 4.556
42 HG11 VAL 5 HG11 VAL 5 19.460 8.647 3.344
43 HG12 VAL 5 HG12 VAL 5 18.409 7.374 3.984
44 HG13 VAL 5 HG13 VAL 5 18.361 7.777 2.256
45 HG21 VAL 5 HG21 VAL 5 18.568 10.799 2.645
46 HG22 VAL 5 HG22 VAL 5 17.365 10.098 1.551
47 HG23 VAL 5 HG23 VAL 5 16.866 11.213 2.843
48 H ALA 6 H ALA 6 14.558 10.433 2.407
49 HA ALA 6 HA ALA 6 13.556 11.735 4.800
50 HB1 ALA 6 HB1 ALA 6 12.216 13.040 3.187
51 HB2 ALA 6 HB2 ALA 6 13.914 12.940 2.685
52 HB3 ALA 6 HB3 ALA 6 12.688 11.935 1.878
53 H LEU 7 H LEU 7 12.071 9.481 2.420
54 HA LEU 7 HA LEU 7 9.457 9.446 3.506
55 HB2 LEU 7 HB2 LEU 7 10.661 8.286 1.335
56 HB3 LEU 7 HB3 LEU 7 10.704 7.027 2.181
57 HG LEU 7 HG LEU 7 8.101 8.525 1.621
58 HD11 LEU 7 HD11 LEU 7 9.135 7.495 -0.376
59 HD12 LEU 7 HD12 LEU 7 7.639 6.668 0.076
60 HD13 LEU 7 HD13 LEU 7 9.210 5.931 0.465
61 HD21 LEU 7 HD21 LEU 7 6.974 6.415 2.342
62 HD22 LEU 7 HD22 LEU 7 7.778 7.245 3.666
63 HD23 LEU 7 HD23 LEU 7 8.540 5.807 2.933
64 H THR 8 H THR 8 12.269 7.325 4.185
65 HA THR 8 HA THR 8 11.036 5.695 6.155
66 HB THR 8 HB THR 8 13.979 6.402 5.887
67 HG1 THR 8 HG1 THR 8 14.024 4.661 4.484
68 HG21 THR 8 HG21 THR 8 13.624 5.052 7.905
69 HG22 THR 8 HG22 THR 8 14.313 4.026 6.649
70 HG23 THR 8 HG23 THR 8 12.575 3.928 7.008
71 H ALA 9 H ALA 9 11.974 9.020 6.482
72 HA ALA 9 HA ALA 9 12.099 8.779 9.469
73 HB1 ALA 9 HB1 ALA 9 13.639 10.688 9.378
74 HB2 ALA 9 HB2 ALA 9 14.247 9.312 8.437
75 HB3 ALA 9 HB3 ALA 9 13.534 10.708 7.603
76 H VAL 10 H VAL 10 11.456 11.487 7.127
77 HA VAL 10 HA VAL 10 9.651 12.730 9.082
78 HB VAL 10 HB VAL 10 9.311 14.483 7.347
79 HG11 VAL 10 HG11 VAL 10 10.985 14.698 9.121
80 HG12 VAL 10 HG12 VAL 10 12.196 13.888 8.104
81 HG13 VAL 10 HG13 VAL 10 11.532 15.464 7.622
82 HG21 VAL 10 HG21 VAL 10 9.861 13.071 5.316
83 HG22 VAL 10 HG22 VAL 10 10.698 14.631 5.403
84 HG23 VAL 10 HG23 VAL 10 11.569 13.149 5.814
85 H NLE 11 H NLE 11 9.187 10.381 6.694
86 HA NLE 11 HA NLE 11 6.239 10.629 7.114
87 HB2 NLE 11 HB2 NLE 11 7.593 9.527 4.632
88 HB3 NLE 11 HB3 NLE 11 5.863 9.540 4.965
89 HG2 NLE 11 HG2 NLE 11 5.862 12.015 4.996
90 HG3 NLE 11 HG3 NLE 11 7.599 12.023 4.660
91 HD2 NLE 11 HD2 NLE 11 6.407 12.460 2.619
92 HD3 NLE 11 HD3 NLE 11 7.208 10.892 2.493
93 HE1 NLE 11 HE1 NLE 11 4.250 11.279 3.158
94 HE2 NLE 11 HE2 NLE 11 4.890 10.921 1.541
95 HE3 NLE 11 HE3 NLE 11 5.068 9.729 2.836
96 H VAL 12 H VAL 12 8.525 9.179 8.519
97 HA VAL 12 HA VAL 12 9.046 7.131 9.409
98 HB VAL 12 HB VAL 12 7.277 6.417 10.948
99 HG11 VAL 12 HG11 VAL 12 8.712 8.358 11.445
100 HG12 VAL 12 HG12 VAL 12 7.503 9.439 10.719
101 HG13 VAL 12 HG13 VAL 12 7.102 8.497 12.168
102 HG21 VAL 12 HG21 VAL 12 5.479 8.487 9.608
103 HG22 VAL 12 HG22 VAL 12 5.272 6.730 9.463
104 HG23 VAL 12 HG23 VAL 12 5.117 7.511 11.043
105 H ALA 13 H ALA 13 8.740 6.555 6.709
106 HA ALA 13 HA ALA 13 8.557 4.873 5.247
107 HB1 ALA 13 HB1 ALA 13 10.061 3.788 6.904
108 HB2 ALA 13 HB2 ALA 13 8.648 3.013 7.648
109 HB3 ALA 13 HB3 ALA 13 9.095 2.630 5.975
110 H VAL 14 H VAL 14 6.046 6.038 6.153
111 HA VAL 14 HA VAL 14 3.936 4.321 6.557
112 HB VAL 14 HB VAL 14 3.868 6.776 6.613
113 HG11 VAL 14 HG11 VAL 14 3.530 6.684 3.581
114 HG12 VAL 14 HG12 VAL 14 3.459 8.113 4.630
115 HG13 VAL 14 HG13 VAL 14 4.988 7.251 4.423
116 HG21 VAL 14 HG21 VAL 14 1.769 5.481 6.648
117 HG22 VAL 14 HG22 VAL 14 1.588 7.088 5.930
118 HG23 VAL 14 HG23 VAL 14 1.639 5.659 4.883
119 H ALA 15 H ALA 15 5.629 4.595 3.511
120 HA ALA 15 HA ALA 15 3.773 3.494 1.709
121 HB1 ALA 15 HB1 ALA 15 6.794 3.118 1.873
122 HB2 ALA 15 HB2 ALA 15 5.784 2.810 0.445
123 HB3 ALA 15 HB3 ALA 15 5.939 4.460 1.074
124 H LEU 16 H LEU 16 5.598 1.810 4.264
125 HA LEU 16 HA LEU 16 5.116 -0.888 3.402
126 HB2 LEU 16 HB2 LEU 16 6.691 -0.105 5.264
127 HB3 LEU 16 HB3 LEU 16 5.515 0.354 6.159
128 HG LEU 16 HG LEU 16 4.598 -1.934 6.422
129 HD11 LEU 16 HD11 LEU 16 6.997 -2.776 4.738
130 HD12 LEU 16 HD12 LEU 16 5.282 -2.988 4.315
131 HD13 LEU 16 HD13 LEU 16 5.969 -3.879 5.675
132 HD21 LEU 16 HD21 LEU 16 6.264 -1.065 8.005
133 HD22 LEU 16 HD22 LEU 16 7.576 -1.726 7.003
134 HD23 LEU 16 HD23 LEU 16 6.418 -2.816 7.800
135 H TYR 17 H TYR 17 3.243 1.300 5.550
136 HA TYR 17 HA TYR 17 1.154 -0.631 6.086
137 HB2 TYR 17 HB2 TYR 17 0.828 2.312 6.468
138 HB3 TYR 17 HB3 TYR 17 0.031 1.201 7.188
139 HD1 TYR 17 HD1 TYR 17 1.876 -0.773 8.275
140 HD2 TYR 17 HD2 TYR 17 2.342 3.503 7.940
141 HE1 TYR 17 HE1 TYR 17 3.548 -0.806 10.120
142 HE2 TYR 17 HE2 TYR 17 4.016 3.467 9.779
143 HH TYR 17 HH TYR 17 5.156 2.176 11.291
144 H ALA 18 H ALA 18 1.564 1.968 3.678
145 HA ALA 18 HA ALA 18 -1.026 1.761 2.470
146 HB1 ALA 18 HB1 ALA 18 0.041 2.850 0.549
147 HB2 ALA 18 HB2 ALA 18 0.554 3.621 2.063
148 HB3 ALA 18 HB3 ALA 18 1.650 2.510 1.211
149 H TYR 19 H TYR 19 2.081 0.094 1.544
150 HA TYR 19 HA TYR 19 0.962 -1.620 -0.420
151 HB2 TYR 19 HB2 TYR 19 3.461 -1.295 0.259
152 HB3 TYR 19 HB3 TYR 19 3.272 -2.189 1.479
153 HD1 TYR 19 HD1 TYR 19 2.983 -4.663 1.353
154 HD2 TYR 19 HD2 TYR 19 3.329 -2.241 -2.205
155 HE1 TYR 19 HE1 TYR 19 3.413 -6.711 -0.008
156 HE2 TYR 19 HE2 TYR 19 3.766 -4.286 -3.555
157 HH TYR 19 HH TYR 19 3.989 -6.558 -3.542
158 H GLY 20 H GLY 20 1.178 -2.060 3.109
159 HA2 GLY 20 HA2 GLY 20 0.132 -4.662 3.326
160 HA3 GLY 20 HA3 GLY 20 0.101 -3.421 4.580
161 H LEU 21 H LEU 21 -1.685 -2.088 2.115
162 HA LEU 21 HA LEU 21 -4.113 -3.727 2.504
163 HB2 LEU 21 HB2 LEU 21 -5.408 -1.984 3.381
164 HB3 LEU 21 HB3 LEU 21 -4.083 -1.934 4.216
165 HG LEU 21 HG LEU 21 -3.294 -0.059 2.476
166 HD11 LEU 21 HD11 LEU 21 -6.341 0.162 2.414
167 HD12 LEU 21 HD12 LEU 21 -5.331 -0.220 1.009
168 HD13 LEU 21 HD13 LEU 21 -5.191 1.356 1.781
169 HD21 LEU 21 HD21 LEU 21 -5.349 0.387 4.681
170 HD22 LEU 21 HD22 LEU 21 -4.271 1.627 3.995
171 HD23 LEU 21 HD23 LEU 21 -3.587 0.264 4.888
172 H ABA 22 H ABU 22 -2.402 -1.355 0.507
173 HA ABA 22 HA ABU 22 -4.355 -1.489 -1.661
174 HB3 ABA 22 HB3 ABU 22 -2.612 -0.227 -2.908
175 HB2 ABA 22 HB2 ABU 22 -1.514 -0.394 -1.537
176 HG1 ABA 22 HG1 ABU 22 -2.647 1.816 -1.575
177 HG3 ABA 22 HG3 ABU 22 -3.104 0.912 -0.121
178 HG2 ABA 22 HG2 ABU 22 -4.229 1.015 -1.493
179 H PHE 23 H PHE 23 -1.757 -3.539 -0.636
180 HA PHE 23 HA PHE 23 -1.921 -5.057 -3.207
181 HB2 PHE 23 HB2 PHE 23 0.386 -3.672 -2.260
182 HB3 PHE 23 HB3 PHE 23 0.722 -5.123 -1.907
183 HD1 PHE 23 HD1 PHE 23 -0.014 -6.976 -3.895
184 HD2 PHE 23 HD2 PHE 23 1.090 -2.845 -4.460
185 HE1 PHE 23 HE1 PHE 23 0.704 -7.484 -6.216
186 HE2 PHE 23 HE2 PHE 23 1.797 -3.355 -6.783
187 HZ PHE 23 HZ PHE 23 1.609 -5.674 -7.665
188 H ARG 24 H ARG 24 -0.800 -5.245 0.189
189 HA ARG 24 HA ARG 24 -0.568 -7.002 1.630
190 HB2 ARG 24 HB2 ARG 24 -2.769 -7.746 2.356
191 HB3 ARG 24 HB3 ARG 24 -2.634 -6.167 2.207
192 HG2 ARG 24 HG2 ARG 24 -4.732 -6.535 1.255
193 HG3 ARG 24 HG3 ARG 24 -3.888 -6.164 0.060
194 HD2 ARG 24 HD2 ARG 24 -3.662 -8.764 -0.445
195 HD3 ARG 24 HD3 ARG 24 -4.537 -9.052 0.794
196 HE ARG 24 HE ARG 24 -6.495 -8.156 -0.228
197 HH11 ARG 24 HH11 ARG 24 -3.772 -7.645 -2.413
198 HH12 ARG 24 HH12 ARG 24 -4.848 -7.367 -3.760
199 HH21 ARG 24 HH21 ARG 24 -7.713 -7.700 -1.857
200 HH22 ARG 24 HH22 ARG 24 -7.063 -7.388 -3.467
201 H LEU 25 H LEU 25 0.489 -7.851 -0.757
202 HA LEU 25 HA LEU 25 -0.426 -10.356 -1.681
203 HB2 LEU 25 HB2 LEU 25 1.193 -8.674 -2.769
204 HB3 LEU 25 HB3 LEU 25 2.335 -9.071 -1.795
205 HG LEU 25 HG LEU 25 2.481 -11.386 -2.655
206 HD11 LEU 25 HD11 LEU 25 0.150 -11.803 -3.328
207 HD12 LEU 25 HD12 LEU 25 1.222 -12.006 -4.714
208 HD13 LEU 25 HD13 LEU 25 0.253 -10.524 -4.559
209 HD21 LEU 25 HD21 LEU 25 3.331 -10.820 -4.884
210 HD22 LEU 25 HD22 LEU 25 3.783 -9.580 -3.703
211 HD23 LEU 25 HD23 LEU 25 2.457 -9.271 -4.843
212 H NLE 26 H NLE 26 1.767 -9.645 0.971
213 HA NLE 26 HA NLE 26 2.082 -12.496 1.674
214 HB2 NLE 26 HB2 NLE 26 4.545 -12.263 1.798
215 HB3 NLE 26 HB3 NLE 26 3.910 -12.143 0.160
216 HG2 NLE 26 HG2 NLE 26 4.159 -9.666 0.226
217 HG3 NLE 26 HG3 NLE 26 4.729 -9.766 1.894
218 HD2 NLE 26 HD2 NLE 26 6.606 -9.453 0.421
219 HD3 NLE 26 HD3 NLE 26 6.708 -11.060 1.147
220 HE1 NLE 26 HE1 NLE 26 7.296 -11.020 -1.286
221 HE2 NLE 26 HE2 NLE 26 5.930 -12.093 -0.947
222 HE3 NLE 26 HE3 NLE 26 5.644 -10.486 -1.661
223 H GLY 27 H GLY 27 2.824 -12.846 3.799
224 HA2 GLY 27 HA2 GLY 27 2.535 -10.555 5.704
225 HA3 GLY 27 HA3 GLY 27 1.360 -11.874 5.665
226 H ALA 28 H ALA 28 4.591 -12.983 5.161
227 HA ALA 28 HA ALA 28 4.623 -14.507 7.577
228 HB1 ALA 28 HB1 ALA 28 6.896 -13.761 5.682
229 HB2 ALA 28 HB2 ALA 28 6.918 -15.075 6.876
230 HB3 ALA 28 HB3 ALA 28 5.797 -15.151 5.504
231 H SER 29 H SER 29 5.903 -11.306 6.850
232 HA SER 29 HA SER 29 6.801 -10.908 9.669
233 HB2 SER 29 HB2 SER 29 8.660 -10.221 7.382
234 HB3 SER 29 HB3 SER 29 8.941 -10.005 8.891
235 HG SER 29 HG SER 29 9.867 -11.936 8.098
236 H GLY 30 H GLY 30 4.522 -9.728 7.883
237 HA2 GLY 30 HA2 GLY 30 4.875 -6.940 8.655
238 HA3 GLY 30 HA3 GLY 30 5.067 -7.186 6.923
239 HA PRO 31 HA PRO 31 0.625 -6.424 8.389
240 HB2 PRO 31 HB2 PRO 31 0.115 -3.980 7.418
241 HB3 PRO 31 HB3 PRO 31 0.916 -4.166 8.694
242 HG2 PRO 31 HG2 PRO 31 2.315 -3.509 6.146
243 HG3 PRO 31 HG3 PRO 31 2.557 -2.947 7.468
244 HD2 PRO 31 HD2 PRO 31 4.189 -5.045 7.023
245 HD3 PRO 31 HD3 PRO 31 3.708 -4.762 8.442
246 H ASN 32 H ASN 32 -1.012 -7.376 7.360
247 HA ASN 32 HA ASN 32 -1.356 -7.257 4.430
248 HB2 ASN 32 HB2 ASN 32 -0.792 -9.567 4.093
249 HB3 ASN 32 HB3 ASN 32 0.396 -8.989 4.858
250 HD21 ASN 32 HD21 ASN 32 0.699 -9.432 7.234
251 HD22 ASN 32 HD22 ASN 32 -0.066 -10.873 7.873
252 H LYS 33 H LYS 33 -2.973 -6.856 7.121
253 HA LYS 33 HA LYS 33 -5.277 -8.690 6.545
254 HB2 LYS 33 HB2 LYS 33 -4.587 -7.599 9.240
255 HB3 LYS 33 HB3 LYS 33 -5.743 -8.600 8.964
256 HG2 LYS 33 HG2 LYS 33 -2.869 -9.394 8.836
257 HG3 LYS 33 HG3 LYS 33 -3.912 -9.846 9.879
258 HD2 LYS 33 HD2 LYS 33 -5.239 -10.931 7.829
259 HD3 LYS 33 HD3 LYS 33 -4.063 -10.572 6.928
260 HE2 LYS 33 HE2 LYS 33 -2.585 -11.891 8.861
261 HE3 LYS 33 HE3 LYS 33 -3.925 -12.477 9.278
262 HZ1 LYS 33 HZ1 LYS 33 -2.858 -12.616 6.511
263 HZ2 LYS 33 HZ2 LYS 33 -4.300 -13.281 6.954
264 HZ3 LYS 33 HZ3 LYS 33 -2.899 -13.859 7.575
265 H LYS 34 H LYS 34 -4.890 -6.031 5.381
266 HA LYS 34 HA LYS 34 -7.596 -4.935 5.973
267 HB2 LYS 34 HB2 LYS 34 -5.269 -3.064 5.642
268 HB3 LYS 34 HB3 LYS 34 -6.727 -2.624 5.835
269 HG2 LYS 34 HG2 LYS 34 -6.627 -3.876 8.188
270 HG3 LYS 34 HG3 LYS 34 -5.135 -4.106 7.966
271 HD2 LYS 34 HD2 LYS 34 -4.961 -1.469 7.517
272 HD3 LYS 34 HD3 LYS 34 -6.379 -1.322 8.025
273 HE2 LYS 34 HE2 LYS 34 -4.176 -2.396 9.813
274 HE3 LYS 34 HE3 LYS 34 -4.739 -0.957 9.854
275 HZ1 LYS 34 HZ1 LYS 34 -6.411 -3.353 10.401
276 HZ2 LYS 34 HZ2 LYS 34 -6.940 -1.805 10.494
277 HZ3 LYS 34 HZ3 LYS 34 -5.793 -2.344 11.520
278 H GLU 35 H GLU 35 -8.330 -3.491 4.196
279 HA GLU 35 HA GLU 35 -6.992 -3.783 1.583
280 HB2 GLU 35 HB2 GLU 35 -9.859 -4.658 1.795
281 HB3 GLU 35 HB3 GLU 35 -9.096 -4.467 0.463
282 HG2 GLU 35 HG2 GLU 35 -7.353 -6.242 1.412
283 HG3 GLU 35 HG3 GLU 35 -8.320 -6.545 2.542
284 H SER 36 H SER 36 -7.875 -2.345 -0.048
285 HA SER 36 HA SER 36 -8.126 0.306 0.832
286 HB2 SER 36 HB2 SER 36 -8.903 -0.590 -1.951
287 HB3 SER 36 HB3 SER 36 -8.588 0.864 -1.508
288 HG SER 36 HG SER 36 -6.826 -1.293 -1.768
289 H ARG 37 H ARG 37 -9.726 1.876 0.701
290 HA ARG 37 HA ARG 37 -12.606 1.098 0.576
291 HB2 ARG 37 HB2 ARG 37 -11.587 2.762 2.854
292 HB3 ARG 37 HB3 ARG 37 -13.044 2.297 2.692
293 HG2 ARG 37 HG2 ARG 37 -10.835 0.400 3.410
294 HG3 ARG 37 HG3 ARG 37 -11.876 0.957 4.398
295 HD2 ARG 37 HD2 ARG 37 -13.752 -0.271 3.234
296 HD3 ARG 37 HD3 ARG 37 -12.920 -0.545 1.980
297 HE ARG 37 HE ARG 37 -11.446 -1.702 4.136
298 HH11 ARG 37 HH11 ARG 37 -14.323 -2.299 2.228
299 HH12 ARG 37 HH12 ARG 37 -14.229 -4.023 2.457
300 HH21 ARG 37 HH21 ARG 37 -11.431 -3.905 4.448
301 HH22 ARG 37 HH22 ARG 37 -12.622 -4.902 3.668
302 H GLY 38 H GLY 38 -14.026 3.084 0.729
303 HA2 GLY 38 HA2 GLY 38 -13.043 5.704 0.123
304 HA3 GLY 38 HA3 GLY 38 -13.553 4.910 -1.368
305 H ARG 39 H ARG 39 -14.817 7.125 -0.809
306 HA ARG 39 HA ARG 39 -17.554 6.394 0.198
307 HB2 ARG 39 HB2 ARG 39 -16.136 8.965 0.860
308 HB3 ARG 39 HB3 ARG 39 -17.626 8.721 1.188
309 HG2 ARG 39 HG2 ARG 39 -16.910 6.640 2.600
310 HG3 ARG 39 HG3 ARG 39 -15.449 6.944 2.354
311 HD2 ARG 39 HD2 ARG 39 -15.725 9.304 3.400
312 HD3 ARG 39 HD3 ARG 39 -17.241 9.095 3.552
313 HE ARG 39 HE ARG 39 -16.223 6.855 4.881
314 HH11 ARG 39 HH11 ARG 39 -15.864 10.319 5.280
315 HH12 ARG 39 HH12 ARG 39 -15.602 10.185 6.997
316 HH21 ARG 39 HH21 ARG 39 -15.894 6.760 7.078
317 HH22 ARG 39 HH22 ARG 39 -15.625 8.222 7.981
318 H GLY 40 H GLY 40 -16.144 7.058 -2.581
319 HA2 GLY 40 HA2 GLY 40 -18.518 8.322 -3.774
320 HA3 GLY 40 HA3 GLY 40 -17.056 9.314 -3.801
321 HN1 NH2 41 H1 NHE 41 -16.871 5.762 -4.187
322 HN2 NH2 41 H2 NHE 41 -16.435 5.822 -5.882
Start of MODEL 2
1 H1 VAL 1 H1 VAL 1 18.474 6.452 -7.177
2 H2 VAL 1 H2 VAL 1 19.995 6.500 -6.558
3 H3 VAL 1 H3 VAL 1 19.014 7.795 -6.417
4 HA VAL 1 HA VAL 1 17.518 6.636 -4.965
5 HB VAL 1 HB VAL 1 18.159 4.431 -4.039
6 HG11 VAL 1 HG11 VAL 1 16.415 4.649 -5.774
7 HG12 VAL 1 HG12 VAL 1 17.638 4.350 -7.036
8 HG13 VAL 1 HG13 VAL 1 17.263 3.100 -5.838
9 HG21 VAL 1 HG21 VAL 1 19.655 2.928 -5.211
10 HG22 VAL 1 HG22 VAL 1 20.083 4.172 -6.394
11 HG23 VAL 1 HG23 VAL 1 20.567 4.347 -4.689
12 H VAL 2 H VAL 2 17.766 6.633 -2.700
13 HA VAL 2 HA VAL 2 20.462 7.282 -1.583
14 HB VAL 2 HB VAL 2 19.454 9.039 -0.170
15 HG11 VAL 2 HG11 VAL 2 19.076 9.611 -3.129
16 HG12 VAL 2 HG12 VAL 2 19.374 10.780 -1.828
17 HG13 VAL 2 HG13 VAL 2 20.630 9.611 -2.265
18 HG21 VAL 2 HG21 VAL 2 17.059 8.337 -0.252
19 HG22 VAL 2 HG22 VAL 2 17.291 10.028 -0.705
20 HG23 VAL 2 HG23 VAL 2 16.992 8.818 -1.964
21 H PHE 3 H PHE 3 18.927 4.816 -1.590
22 HA PHE 3 HA PHE 3 17.940 3.226 -0.353
23 HB2 PHE 3 HB2 PHE 3 20.426 3.643 0.677
24 HB3 PHE 3 HB3 PHE 3 19.712 4.009 1.955
25 HD1 PHE 3 HD1 PHE 3 19.033 2.296 3.520
26 HD2 PHE 3 HD2 PHE 3 19.664 1.276 -0.623
27 HE1 PHE 3 HE1 PHE 3 18.775 -0.115 4.069
28 HE2 PHE 3 HE2 PHE 3 19.397 -1.130 -0.072
29 HZ PHE 3 HZ PHE 3 18.953 -1.830 2.274
30 H TYR 4 H TYR 4 16.511 5.685 -0.249
31 HA TYR 4 HA TYR 4 14.739 6.706 0.672
32 HB2 TYR 4 HB2 TYR 4 13.917 4.112 1.877
33 HB3 TYR 4 HB3 TYR 4 12.986 5.231 1.376
34 HD1 TYR 4 HD1 TYR 4 12.888 5.893 -1.129
35 HD2 TYR 4 HD2 TYR 4 14.839 2.325 0.318
36 HE1 TYR 4 HE1 TYR 4 12.839 4.926 -3.430
37 HE2 TYR 4 HE2 TYR 4 14.789 1.363 -1.977
38 HH TYR 4 HH TYR 4 14.186 1.685 -4.164
39 H VAL 5 H VAL 5 17.157 6.716 2.511
40 HA VAL 5 HA VAL 5 16.553 6.237 5.147
41 HB VAL 5 HB VAL 5 18.309 7.857 5.784
42 HG11 VAL 5 HG11 VAL 5 20.138 6.695 4.664
43 HG12 VAL 5 HG12 VAL 5 18.858 5.557 5.111
44 HG13 VAL 5 HG13 VAL 5 19.032 6.079 3.423
45 HG21 VAL 5 HG21 VAL 5 19.633 8.995 4.043
46 HG22 VAL 5 HG22 VAL 5 18.447 8.536 2.811
47 HG23 VAL 5 HG23 VAL 5 17.996 9.645 4.126
48 H ALA 6 H ALA 6 15.653 9.270 3.492
49 HA ALA 6 HA ALA 6 14.690 10.565 5.898
50 HB1 ALA 6 HB1 ALA 6 13.676 12.156 4.309
51 HB2 ALA 6 HB2 ALA 6 15.363 11.816 3.887
52 HB3 ALA 6 HB3 ALA 6 14.046 11.067 2.955
53 H LEU 7 H LEU 7 13.054 8.664 3.323
54 HA LEU 7 HA LEU 7 10.390 8.930 4.302
55 HB2 LEU 7 HB2 LEU 7 11.450 7.880 2.064
56 HB3 LEU 7 HB3 LEU 7 11.493 6.537 2.782
57 HG LEU 7 HG LEU 7 8.885 8.102 2.478
58 HD11 LEU 7 HD11 LEU 7 9.858 7.422 0.314
59 HD12 LEU 7 HD12 LEU 7 8.389 6.505 0.670
60 HD13 LEU 7 HD13 LEU 7 9.982 5.744 0.889
61 HD21 LEU 7 HD21 LEU 7 7.812 5.853 2.855
62 HD22 LEU 7 HD22 LEU 7 8.587 6.519 4.284
63 HD23 LEU 7 HD23 LEU 7 9.400 5.229 3.353
64 H THR 8 H THR 8 12.900 6.434 4.914
65 HA THR 8 HA THR 8 11.439 4.865 6.769
66 HB THR 8 HB THR 8 14.446 5.282 6.662
67 HG1 THR 8 HG1 THR 8 14.381 3.595 5.184
68 HG21 THR 8 HG21 THR 8 13.851 3.891 8.593
69 HG22 THR 8 HG22 THR 8 14.500 2.855 7.324
70 HG23 THR 8 HG23 THR 8 12.745 2.919 7.594
71 H ALA 9 H ALA 9 12.722 8.056 7.285
72 HA ALA 9 HA ALA 9 12.700 7.684 10.254
73 HB1 ALA 9 HB1 ALA 9 14.319 9.529 10.288
74 HB2 ALA 9 HB2 ALA 9 14.891 8.167 9.305
75 HB3 ALA 9 HB3 ALA 9 14.264 9.627 8.513
76 H VAL 10 H VAL 10 12.244 10.540 8.049
77 HA VAL 10 HA VAL 10 10.462 11.759 10.043
78 HB VAL 10 HB VAL 10 10.261 13.633 8.403
79 HG11 VAL 10 HG11 VAL 10 11.871 13.659 10.246
80 HG12 VAL 10 HG12 VAL 10 13.082 12.848 9.228
81 HG13 VAL 10 HG13 VAL 10 12.514 14.481 8.816
82 HG21 VAL 10 HG21 VAL 10 10.819 12.308 6.314
83 HG22 VAL 10 HG22 VAL 10 11.711 13.823 6.518
84 HG23 VAL 10 HG23 VAL 10 12.511 12.285 6.867
85 H NLE 11 H NLE 11 9.935 9.645 7.437
86 HA NLE 11 HA NLE 11 6.987 10.096 7.702
87 HB2 NLE 11 HB2 NLE 11 8.448 8.945 5.303
88 HB3 NLE 11 HB3 NLE 11 6.706 9.094 5.496
89 HG2 NLE 11 HG2 NLE 11 6.832 11.521 5.501
90 HG3 NLE 11 HG3 NLE 11 8.599 11.474 5.464
91 HD2 NLE 11 HD2 NLE 11 7.710 11.979 3.256
92 HD3 NLE 11 HD3 NLE 11 8.594 10.454 3.246
93 HE1 NLE 11 HE1 NLE 11 6.494 9.182 3.191
94 HE2 NLE 11 HE2 NLE 11 5.552 10.682 3.384
95 HE3 NLE 11 HE3 NLE 11 6.487 10.393 1.902
96 H VAL 12 H VAL 12 9.129 8.350 9.145
97 HA VAL 12 HA VAL 12 9.453 6.197 9.868
98 HB VAL 12 HB VAL 12 7.601 5.490 11.321
99 HG11 VAL 12 HG11 VAL 12 9.224 7.209 12.014
100 HG12 VAL 12 HG12 VAL 12 8.141 8.479 11.405
101 HG13 VAL 12 HG13 VAL 12 7.632 7.441 12.751
102 HG21 VAL 12 HG21 VAL 12 6.040 7.861 10.203
103 HG22 VAL 12 HG22 VAL 12 5.655 6.158 9.878
104 HG23 VAL 12 HG23 VAL 12 5.563 6.786 11.530
105 H ALA 13 H ALA 13 9.201 5.878 7.162
106 HA ALA 13 HA ALA 13 8.902 4.375 5.534
107 HB1 ALA 13 HB1 ALA 13 10.216 2.984 7.112
108 HB2 ALA 13 HB2 ALA 13 8.702 2.302 7.743
109 HB3 ALA 13 HB3 ALA 13 9.167 2.029 6.054
110 H VAL 14 H VAL 14 6.476 5.711 6.448
111 HA VAL 14 HA VAL 14 4.238 4.220 6.785
112 HB VAL 14 HB VAL 14 4.361 6.650 6.920
113 HG11 VAL 14 HG11 VAL 14 4.021 6.715 3.888
114 HG12 VAL 14 HG12 VAL 14 4.089 8.098 4.996
115 HG13 VAL 14 HG13 VAL 14 5.528 7.103 4.744
116 HG21 VAL 14 HG21 VAL 14 2.163 5.544 6.907
117 HG22 VAL 14 HG22 VAL 14 2.122 7.188 6.251
118 HG23 VAL 14 HG23 VAL 14 2.050 5.801 5.150
119 H ALA 15 H ALA 15 5.812 4.513 3.657
120 HA ALA 15 HA ALA 15 3.769 3.610 1.941
121 HB1 ALA 15 HB1 ALA 15 6.773 3.099 1.823
122 HB2 ALA 15 HB2 ALA 15 5.633 2.950 0.468
123 HB3 ALA 15 HB3 ALA 15 5.926 4.538 1.202
124 H LEU 16 H LEU 16 5.631 1.719 4.291
125 HA LEU 16 HA LEU 16 5.052 -0.909 3.311
126 HB2 LEU 16 HB2 LEU 16 6.668 -0.274 5.191
127 HB3 LEU 16 HB3 LEU 16 5.513 0.178 6.119
128 HG LEU 16 HG LEU 16 4.534 -2.085 6.298
129 HD11 LEU 16 HD11 LEU 16 6.867 -2.946 4.531
130 HD12 LEU 16 HD12 LEU 16 5.140 -3.054 4.119
131 HD13 LEU 16 HD13 LEU 16 5.791 -4.043 5.427
132 HD21 LEU 16 HD21 LEU 16 6.269 -1.350 7.876
133 HD22 LEU 16 HD22 LEU 16 7.531 -2.010 6.812
134 HD23 LEU 16 HD23 LEU 16 6.353 -3.095 7.587
135 H TYR 17 H TYR 17 3.159 1.300 5.421
136 HA TYR 17 HA TYR 17 1.103 -0.704 5.948
137 HB2 TYR 17 HB2 TYR 17 0.756 2.211 6.491
138 HB3 TYR 17 HB3 TYR 17 -0.031 1.061 7.139
139 HD1 TYR 17 HD1 TYR 17 1.478 -0.905 8.346
140 HD2 TYR 17 HD2 TYR 17 2.638 3.195 7.724
141 HE1 TYR 17 HE1 TYR 17 3.233 -1.133 10.105
142 HE2 TYR 17 HE2 TYR 17 4.411 2.966 9.465
143 HH TYR 17 HH TYR 17 5.423 1.569 10.972
144 H ALA 18 H ALA 18 1.518 1.946 3.610
145 HA ALA 18 HA ALA 18 -1.083 1.739 2.388
146 HB1 ALA 18 HB1 ALA 18 -0.009 2.873 0.490
147 HB2 ALA 18 HB2 ALA 18 0.445 3.644 2.022
148 HB3 ALA 18 HB3 ALA 18 1.595 2.577 1.186
149 H TYR 19 H TYR 19 2.073 0.147 1.516
150 HA TYR 19 HA TYR 19 1.047 -1.635 -0.443
151 HB2 TYR 19 HB2 TYR 19 3.500 -1.242 0.241
152 HB3 TYR 19 HB3 TYR 19 3.318 -2.018 1.548
153 HD1 TYR 19 HD1 TYR 19 3.105 -4.486 1.683
154 HD2 TYR 19 HD2 TYR 19 3.478 -2.450 -2.105
155 HE1 TYR 19 HE1 TYR 19 3.655 -6.649 0.568
156 HE2 TYR 19 HE2 TYR 19 4.034 -4.609 -3.211
157 HH TYR 19 HH TYR 19 4.377 -6.849 -2.936
158 H GLY 20 H GLY 20 1.233 -2.026 3.102
159 HA2 GLY 20 HA2 GLY 20 0.163 -4.623 3.312
160 HA3 GLY 20 HA3 GLY 20 0.190 -3.395 4.579
161 H LEU 21 H LEU 21 -1.630 -2.103 2.068
162 HA LEU 21 HA LEU 21 -4.087 -3.641 2.633
163 HB2 LEU 21 HB2 LEU 21 -5.300 -1.829 3.464
164 HB3 LEU 21 HB3 LEU 21 -3.934 -1.762 4.244
165 HG LEU 21 HG LEU 21 -3.192 0.017 2.401
166 HD11 LEU 21 HD11 LEU 21 -5.089 1.419 1.690
167 HD12 LEU 21 HD12 LEU 21 -6.237 0.288 2.433
168 HD13 LEU 21 HD13 LEU 21 -5.292 -0.197 1.014
169 HD21 LEU 21 HD21 LEU 21 -5.180 0.595 4.639
170 HD22 LEU 21 HD22 LEU 21 -4.103 1.784 3.868
171 HD23 LEU 21 HD23 LEU 21 -3.415 0.454 4.808
172 H ABA 22 H ABU 22 -2.437 -1.327 0.488
173 HA ABA 22 HA ABU 22 -4.433 -1.606 -1.631
174 HB3 ABA 22 HB3 ABU 22 -2.776 -0.337 -2.966
175 HB2 ABA 22 HB2 ABU 22 -1.614 -0.442 -1.641
176 HG1 ABA 22 HG1 ABU 22 -2.792 1.747 -1.709
177 HG3 ABA 22 HG3 ABU 22 -3.143 0.892 -0.198
178 HG2 ABA 22 HG2 ABU 22 -4.349 0.921 -1.504
179 H PHE 23 H PHE 23 -1.701 -3.474 -0.591
180 HA PHE 23 HA PHE 23 -1.845 -5.141 -3.074
181 HB2 PHE 23 HB2 PHE 23 0.469 -3.851 -1.928
182 HB3 PHE 23 HB3 PHE 23 0.707 -5.351 -1.684
183 HD1 PHE 23 HD1 PHE 23 -0.111 -6.966 -3.870
184 HD2 PHE 23 HD2 PHE 23 1.446 -2.943 -3.973
185 HE1 PHE 23 HE1 PHE 23 0.732 -7.347 -6.174
186 HE2 PHE 23 HE2 PHE 23 2.286 -3.329 -6.276
187 HZ PHE 23 HZ PHE 23 1.932 -5.531 -7.379
188 H ARG 24 H ARG 24 -0.889 -5.206 0.376
189 HA ARG 24 HA ARG 24 -0.727 -6.918 1.882
190 HB2 ARG 24 HB2 ARG 24 -2.956 -7.641 2.578
191 HB3 ARG 24 HB3 ARG 24 -2.768 -6.060 2.453
192 HG2 ARG 24 HG2 ARG 24 -4.856 -6.306 1.472
193 HG3 ARG 24 HG3 ARG 24 -3.992 -6.017 0.275
194 HD2 ARG 24 HD2 ARG 24 -3.902 -8.636 -0.165
195 HD3 ARG 24 HD3 ARG 24 -4.784 -8.850 1.079
196 HE ARG 24 HE ARG 24 -6.698 -7.889 0.049
197 HH11 ARG 24 HH11 ARG 24 -3.960 -7.553 -2.147
198 HH12 ARG 24 HH12 ARG 24 -5.019 -7.227 -3.498
199 HH21 ARG 24 HH21 ARG 24 -7.904 -7.343 -1.596
200 HH22 ARG 24 HH22 ARG 24 -7.226 -7.108 -3.205
201 H LEU 25 H LEU 25 0.406 -7.794 -0.371
202 HA LEU 25 HA LEU 25 -0.536 -10.263 -1.390
203 HB2 LEU 25 HB2 LEU 25 1.104 -8.522 -2.391
204 HB3 LEU 25 HB3 LEU 25 2.237 -8.996 -1.444
205 HG LEU 25 HG LEU 25 2.345 -11.254 -2.441
206 HD11 LEU 25 HD11 LEU 25 0.007 -11.615 -3.108
207 HD12 LEU 25 HD12 LEU 25 1.054 -11.735 -4.523
208 HD13 LEU 25 HD13 LEU 25 0.099 -10.258 -4.257
209 HD21 LEU 25 HD21 LEU 25 3.162 -10.573 -4.657
210 HD22 LEU 25 HD22 LEU 25 3.660 -9.418 -3.411
211 HD23 LEU 25 HD23 LEU 25 2.319 -9.014 -4.504
212 H NLE 26 H NLE 26 1.523 -9.620 1.354
213 HA NLE 26 HA NLE 26 1.822 -12.472 2.021
214 HB2 NLE 26 HB2 NLE 26 4.261 -12.308 2.227
215 HB3 NLE 26 HB3 NLE 26 3.722 -12.040 0.575
216 HG2 NLE 26 HG2 NLE 26 3.933 -9.507 1.040
217 HG3 NLE 26 HG3 NLE 26 4.677 -9.950 2.577
218 HD2 NLE 26 HD2 NLE 26 6.441 -9.470 1.064
219 HD3 NLE 26 HD3 NLE 26 6.440 -11.224 1.273
220 HE1 NLE 26 HE1 NLE 26 6.779 -10.512 -1.099
221 HE2 NLE 26 HE2 NLE 26 5.316 -11.495 -0.922
222 HE3 NLE 26 HE3 NLE 26 5.188 -9.727 -1.085
223 H GLY 27 H GLY 27 2.347 -12.827 4.213
224 HA2 GLY 27 HA2 GLY 27 1.943 -10.505 6.062
225 HA3 GLY 27 HA3 GLY 27 0.692 -11.734 5.854
226 H ALA 28 H ALA 28 3.824 -13.165 5.837
227 HA ALA 28 HA ALA 28 3.366 -14.544 8.304
228 HB1 ALA 28 HB1 ALA 28 5.929 -14.190 6.690
229 HB2 ALA 28 HB2 ALA 28 5.638 -15.418 7.939
230 HB3 ALA 28 HB3 ALA 28 4.696 -15.450 6.437
231 H SER 29 H SER 29 5.052 -11.536 7.615
232 HA SER 29 HA SER 29 5.679 -11.097 10.502
233 HB2 SER 29 HB2 SER 29 7.824 -10.689 8.406
234 HB3 SER 29 HB3 SER 29 7.968 -10.434 9.928
235 HG SER 29 HG SER 29 8.778 -12.477 9.308
236 H GLY 30 H GLY 30 3.725 -9.794 8.454
237 HA2 GLY 30 HA2 GLY 30 4.259 -7.016 9.147
238 HA3 GLY 30 HA3 GLY 30 4.593 -7.362 7.452
239 HA PRO 31 HA PRO 31 0.135 -6.145 8.483
240 HB2 PRO 31 HB2 PRO 31 -0.103 -3.761 7.277
241 HB3 PRO 31 HB3 PRO 31 0.575 -3.902 8.628
242 HG2 PRO 31 HG2 PRO 31 2.231 -3.572 6.171
243 HG3 PRO 31 HG3 PRO 31 2.410 -2.921 7.461
244 HD2 PRO 31 HD2 PRO 31 3.892 -5.160 7.335
245 HD3 PRO 31 HD3 PRO 31 3.299 -4.742 8.678
246 H ASN 32 H ASN 32 -1.441 -7.152 7.458
247 HA ASN 32 HA ASN 32 -1.709 -7.175 4.522
248 HB2 ASN 32 HB2 ASN 32 -1.233 -9.523 4.322
249 HB3 ASN 32 HB3 ASN 32 -0.050 -8.971 5.103
250 HD21 ASN 32 HD21 ASN 32 0.134 -9.316 7.521
251 HD22 ASN 32 HD22 ASN 32 -0.751 -10.673 8.191
252 H LYS 33 H LYS 33 -3.338 -6.458 7.066
253 HA LYS 33 HA LYS 33 -5.773 -8.157 6.629
254 HB2 LYS 33 HB2 LYS 33 -4.602 -7.362 9.287
255 HB3 LYS 33 HB3 LYS 33 -6.012 -7.931 9.208
256 HG2 LYS 33 HG2 LYS 33 -3.725 -9.619 8.208
257 HG3 LYS 33 HG3 LYS 33 -4.218 -9.678 9.667
258 HD2 LYS 33 HD2 LYS 33 -6.578 -10.277 8.858
259 HD3 LYS 33 HD3 LYS 33 -6.223 -10.159 7.408
260 HE2 LYS 33 HE2 LYS 33 -4.738 -12.237 9.048
261 HE3 LYS 33 HE3 LYS 33 -6.121 -12.537 8.416
262 HZ1 LYS 33 HZ1 LYS 33 -3.793 -11.647 6.792
263 HZ2 LYS 33 HZ2 LYS 33 -5.266 -12.033 6.190
264 HZ3 LYS 33 HZ3 LYS 33 -4.351 -13.175 6.912
265 H LYS 34 H LYS 34 -5.231 -5.625 5.486
266 HA LYS 34 HA LYS 34 -7.787 -4.275 6.155
267 HB2 LYS 34 HB2 LYS 34 -5.324 -2.621 5.673
268 HB3 LYS 34 HB3 LYS 34 -6.734 -2.045 5.896
269 HG2 LYS 34 HG2 LYS 34 -6.640 -3.126 8.311
270 HG3 LYS 34 HG3 LYS 34 -5.208 -3.577 8.044
271 HD2 LYS 34 HD2 LYS 34 -4.685 -1.036 7.396
272 HD3 LYS 34 HD3 LYS 34 -6.035 -0.644 7.946
273 HE2 LYS 34 HE2 LYS 34 -3.940 -1.928 9.727
274 HE3 LYS 34 HE3 LYS 34 -4.230 -0.411 9.657
275 HZ1 LYS 34 HZ1 LYS 34 -6.276 -2.400 10.486
276 HZ2 LYS 34 HZ2 LYS 34 -6.507 -0.780 10.458
277 HZ3 LYS 34 HZ3 LYS 34 -5.423 -1.436 11.485
278 H GLU 35 H GLU 35 -8.470 -2.892 4.289
279 HA GLU 35 HA GLU 35 -7.113 -3.354 1.705
280 HB2 GLU 35 HB2 GLU 35 -10.029 -4.047 1.917
281 HB3 GLU 35 HB3 GLU 35 -9.255 -3.926 0.580
282 HG2 GLU 35 HG2 GLU 35 -7.613 -5.775 1.579
283 HG3 GLU 35 HG3 GLU 35 -8.611 -6.004 2.701
284 H SER 36 H SER 36 -7.884 -1.925 -0.002
285 HA SER 36 HA SER 36 -7.946 0.752 0.718
286 HB2 SER 36 HB2 SER 36 -8.954 -0.196 -1.966
287 HB3 SER 36 HB3 SER 36 -8.396 1.198 -1.629
288 HG SER 36 HG SER 36 -6.831 -0.236 -2.544
289 H ARG 37 H ARG 37 -9.429 2.410 0.685
290 HA ARG 37 HA ARG 37 -12.365 1.866 0.579
291 HB2 ARG 37 HB2 ARG 37 -11.176 3.466 2.819
292 HB3 ARG 37 HB3 ARG 37 -12.683 3.174 2.662
293 HG2 ARG 37 HG2 ARG 37 -10.718 1.047 3.436
294 HG3 ARG 37 HG3 ARG 37 -11.697 1.754 4.400
295 HD2 ARG 37 HD2 ARG 37 -13.688 0.758 3.078
296 HD3 ARG 37 HD3 ARG 37 -12.751 0.176 2.024
297 HE ARG 37 HE ARG 37 -11.921 -0.735 4.668
298 HH11 ARG 37 HH11 ARG 37 -14.115 -1.457 2.035
299 HH12 ARG 37 HH12 ARG 37 -14.277 -3.127 2.506
300 HH21 ARG 37 HH21 ARG 37 -12.187 -2.867 5.225
301 HH22 ARG 37 HH22 ARG 37 -13.206 -3.898 4.264
302 H GLY 38 H GLY 38 -13.618 3.957 0.679
303 HA2 GLY 38 HA2 GLY 38 -12.449 6.488 0.076
304 HA3 GLY 38 HA3 GLY 38 -12.960 5.725 -1.431
305 H ARG 39 H ARG 39 -14.114 7.998 -0.976
306 HA ARG 39 HA ARG 39 -16.915 7.455 -0.022
307 HB2 ARG 39 HB2 ARG 39 -15.390 9.993 0.523
308 HB3 ARG 39 HB3 ARG 39 -16.898 9.844 0.819
309 HG2 ARG 39 HG2 ARG 39 -16.342 7.825 2.376
310 HG3 ARG 39 HG3 ARG 39 -14.857 8.023 2.154
311 HD2 ARG 39 HD2 ARG 39 -15.013 10.457 3.045
312 HD3 ARG 39 HD3 ARG 39 -16.541 10.348 3.173
313 HE ARG 39 HE ARG 39 -15.764 8.153 4.673
314 HH11 ARG 39 HH11 ARG 39 -14.934 11.555 4.829
315 HH12 ARG 39 HH12 ARG 39 -14.652 11.499 6.549
316 HH21 ARG 39 HH21 ARG 39 -15.405 8.157 6.863
317 HH22 ARG 39 HH22 ARG 39 -14.920 9.623 7.665
318 H GLY 40 H GLY 40 -15.386 7.881 -2.786
319 HA2 GLY 40 HA2 GLY 40 -17.682 9.105 -4.146
320 HA3 GLY 40 HA3 GLY 40 -16.210 10.079 -4.183
321 HN1 NH2 41 H1 NHE 41 -16.007 6.515 -4.316
322 HN2 NH2 41 H2 NHE 41 -15.528 6.456 -6.000
Start of MODEL 3
1 H1 VAL 1 H1 VAL 1 17.476 7.732 -8.023
2 H2 VAL 1 H2 VAL 1 19.014 8.071 -7.567
3 H3 VAL 1 H3 VAL 1 17.796 9.041 -7.095
4 HA VAL 1 HA VAL 1 16.838 7.338 -5.727
5 HB VAL 1 HB VAL 1 18.174 5.267 -5.269
6 HG11 VAL 1 HG11 VAL 1 16.089 5.242 -6.580
7 HG12 VAL 1 HG12 VAL 1 17.021 5.468 -8.081
8 HG13 VAL 1 HG13 VAL 1 17.234 4.004 -7.106
9 HG21 VAL 1 HG21 VAL 1 19.679 4.367 -6.934
10 HG22 VAL 1 HG22 VAL 1 19.533 5.804 -7.953
11 HG23 VAL 1 HG23 VAL 1 20.335 5.902 -6.362
12 H VAL 2 H VAL 2 17.263 7.327 -3.565
13 HA VAL 2 HA VAL 2 19.975 8.065 -2.569
14 HB VAL 2 HB VAL 2 19.001 9.567 -0.888
15 HG11 VAL 2 HG11 VAL 2 18.253 10.453 -3.699
16 HG12 VAL 2 HG12 VAL 2 18.624 11.476 -2.301
17 HG13 VAL 2 HG13 VAL 2 19.893 10.473 -3.014
18 HG21 VAL 2 HG21 VAL 2 16.671 8.703 -0.799
19 HG22 VAL 2 HG22 VAL 2 16.722 10.438 -1.107
20 HG23 VAL 2 HG23 VAL 2 16.375 9.325 -2.440
21 H PHE 3 H PHE 3 18.539 5.525 -2.789
22 HA PHE 3 HA PHE 3 17.665 3.768 -1.712
23 HB2 PHE 3 HB2 PHE 3 20.216 4.085 -0.831
24 HB3 PHE 3 HB3 PHE 3 19.610 4.296 0.542
25 HD1 PHE 3 HD1 PHE 3 19.352 2.388 1.954
26 HD2 PHE 3 HD2 PHE 3 19.103 1.887 -2.336
27 HE1 PHE 3 HE1 PHE 3 19.184 -0.081 2.242
28 HE2 PHE 3 HE2 PHE 3 18.915 -0.574 -2.035
29 HZ PHE 3 HZ PHE 3 18.959 -1.566 0.252
30 H TYR 4 H TYR 4 16.202 6.117 -1.214
31 HA TYR 4 HA TYR 4 14.452 6.957 -0.102
32 HB2 TYR 4 HB2 TYR 4 13.831 4.212 0.887
33 HB3 TYR 4 HB3 TYR 4 12.815 5.335 0.608
34 HD1 TYR 4 HD1 TYR 4 12.390 6.249 -1.753
35 HD2 TYR 4 HD2 TYR 4 14.722 2.701 -0.981
36 HE1 TYR 4 HE1 TYR 4 12.124 5.551 -4.135
37 HE2 TYR 4 HE2 TYR 4 14.459 2.007 -3.357
38 HH TYR 4 HH TYR 4 13.570 2.525 -5.404
39 H VAL 5 H VAL 5 17.009 6.740 1.666
40 HA VAL 5 HA VAL 5 16.366 6.096 4.271
41 HB VAL 5 HB VAL 5 18.246 7.462 5.026
42 HG11 VAL 5 HG11 VAL 5 19.977 6.327 3.764
43 HG12 VAL 5 HG12 VAL 5 18.610 5.234 4.004
44 HG13 VAL 5 HG13 VAL 5 18.866 6.003 2.427
45 HG21 VAL 5 HG21 VAL 5 19.628 8.729 3.415
46 HG22 VAL 5 HG22 VAL 5 18.386 8.522 2.164
47 HG23 VAL 5 HG23 VAL 5 18.042 9.471 3.631
48 H ALA 6 H ALA 6 15.611 9.232 2.787
49 HA ALA 6 HA ALA 6 14.740 10.493 5.247
50 HB1 ALA 6 HB1 ALA 6 13.743 12.154 3.716
51 HB2 ALA 6 HB2 ALA 6 15.415 11.777 3.260
52 HB3 ALA 6 HB3 ALA 6 14.063 11.091 2.325
53 H LEU 7 H LEU 7 12.929 8.861 2.586
54 HA LEU 7 HA LEU 7 10.315 9.108 3.673
55 HB2 LEU 7 HB2 LEU 7 11.309 8.129 1.356
56 HB3 LEU 7 HB3 LEU 7 11.338 6.752 2.012
57 HG LEU 7 HG LEU 7 8.762 8.401 1.777
58 HD11 LEU 7 HD11 LEU 7 9.716 7.669 -0.386
59 HD12 LEU 7 HD12 LEU 7 8.208 6.818 -0.027
60 HD13 LEU 7 HD13 LEU 7 9.773 5.990 0.194
61 HD21 LEU 7 HD21 LEU 7 7.623 6.181 2.167
62 HD22 LEU 7 HD22 LEU 7 8.410 6.840 3.586
63 HD23 LEU 7 HD23 LEU 7 9.187 5.519 2.680
64 H THR 8 H THR 8 12.762 6.514 4.074
65 HA THR 8 HA THR 8 11.313 4.852 5.817
66 HB THR 8 HB THR 8 14.316 5.223 5.617
67 HG1 THR 8 HG1 THR 8 14.123 3.588 4.085
68 HG21 THR 8 HG21 THR 8 14.383 2.769 6.173
69 HG22 THR 8 HG22 THR 8 12.660 2.846 6.579
70 HG23 THR 8 HG23 THR 8 13.851 3.763 7.524
71 H ALA 9 H ALA 9 12.644 7.961 6.611
72 HA ALA 9 HA ALA 9 12.531 7.324 9.541
73 HB1 ALA 9 HB1 ALA 9 14.367 8.925 9.799
74 HB2 ALA 9 HB2 ALA 9 14.812 7.601 8.711
75 HB3 ALA 9 HB3 ALA 9 14.404 9.194 8.044
76 H VAL 10 H VAL 10 12.430 10.315 7.465
77 HA VAL 10 HA VAL 10 10.786 11.650 9.511
78 HB VAL 10 HB VAL 10 10.776 13.593 7.984
79 HG11 VAL 10 HG11 VAL 10 12.470 13.330 9.738
80 HG12 VAL 10 HG12 VAL 10 13.529 12.452 8.615
81 HG13 VAL 10 HG13 VAL 10 13.130 14.158 8.326
82 HG21 VAL 10 HG21 VAL 10 11.096 12.316 5.804
83 HG22 VAL 10 HG22 VAL 10 12.135 13.731 6.034
84 HG23 VAL 10 HG23 VAL 10 12.803 12.114 6.273
85 H NLE 11 H NLE 11 10.040 9.639 6.890
86 HA NLE 11 HA NLE 11 7.158 10.270 7.318
87 HB2 NLE 11 HB2 NLE 11 8.380 9.163 4.763
88 HB3 NLE 11 HB3 NLE 11 6.656 9.403 5.096
89 HG2 NLE 11 HG2 NLE 11 7.004 11.845 5.294
90 HG3 NLE 11 HG3 NLE 11 8.729 11.631 4.978
91 HD2 NLE 11 HD2 NLE 11 7.660 12.366 2.957
92 HD3 NLE 11 HD3 NLE 11 8.229 10.712 2.731
93 HE1 NLE 11 HE1 NLE 11 5.932 9.856 2.979
94 HE2 NLE 11 HE2 NLE 11 5.343 11.488 3.382
95 HE3 NLE 11 HE3 NLE 11 5.963 11.132 1.758
96 H VAL 12 H VAL 12 9.178 8.459 8.661
97 HA VAL 12 HA VAL 12 9.452 6.334 9.434
98 HB VAL 12 HB VAL 12 7.571 5.654 10.822
99 HG11 VAL 12 HG11 VAL 12 9.062 7.488 11.520
100 HG12 VAL 12 HG12 VAL 12 7.935 8.667 10.810
101 HG13 VAL 12 HG13 VAL 12 7.422 7.650 12.171
102 HG21 VAL 12 HG21 VAL 12 5.941 7.879 9.528
103 HG22 VAL 12 HG22 VAL 12 5.668 6.143 9.259
104 HG23 VAL 12 HG23 VAL 12 5.458 6.834 10.873
105 H ALA 13 H ALA 13 9.155 6.040 6.630
106 HA ALA 13 HA ALA 13 8.740 4.563 4.995
107 HB1 ALA 13 HB1 ALA 13 10.210 3.138 6.454
108 HB2 ALA 13 HB2 ALA 13 8.749 2.419 7.152
109 HB3 ALA 13 HB3 ALA 13 9.101 2.217 5.426
110 H VAL 14 H VAL 14 6.407 5.881 5.995
111 HA VAL 14 HA VAL 14 4.193 4.381 6.555
112 HB VAL 14 HB VAL 14 4.300 6.815 6.578
113 HG11 VAL 14 HG11 VAL 14 3.820 6.729 3.564
114 HG12 VAL 14 HG12 VAL 14 3.873 8.165 4.602
115 HG13 VAL 14 HG13 VAL 14 5.341 7.217 4.347
116 HG21 VAL 14 HG21 VAL 14 2.122 5.663 6.724
117 HG22 VAL 14 HG22 VAL 14 2.009 7.276 6.010
118 HG23 VAL 14 HG23 VAL 14 1.913 5.843 4.969
119 H ALA 15 H ALA 15 5.635 4.572 3.373
120 HA ALA 15 HA ALA 15 3.612 3.465 1.748
121 HB1 ALA 15 HB1 ALA 15 6.643 3.093 1.632
122 HB2 ALA 15 HB2 ALA 15 5.500 2.799 0.308
123 HB3 ALA 15 HB3 ALA 15 5.717 4.439 0.928
124 H LEU 16 H LEU 16 5.574 1.805 4.205
125 HA LEU 16 HA LEU 16 5.166 -0.910 3.399
126 HB2 LEU 16 HB2 LEU 16 6.691 -0.023 5.260
127 HB3 LEU 16 HB3 LEU 16 5.481 0.406 6.136
128 HG LEU 16 HG LEU 16 4.667 -1.915 6.446
129 HD11 LEU 16 HD11 LEU 16 7.151 -2.684 4.849
130 HD12 LEU 16 HD12 LEU 16 5.462 -2.979 4.374
131 HD13 LEU 16 HD13 LEU 16 6.137 -3.807 5.781
132 HD21 LEU 16 HD21 LEU 16 6.251 -0.906 8.032
133 HD22 LEU 16 HD22 LEU 16 7.619 -1.516 7.072
134 HD23 LEU 16 HD23 LEU 16 6.516 -2.652 7.883
135 H TYR 17 H TYR 17 3.216 1.226 5.534
136 HA TYR 17 HA TYR 17 1.199 -0.809 6.030
137 HB2 TYR 17 HB2 TYR 17 0.780 2.086 6.655
138 HB3 TYR 17 HB3 TYR 17 0.084 0.888 7.313
139 HD1 TYR 17 HD1 TYR 17 1.484 -0.888 8.680
140 HD2 TYR 17 HD2 TYR 17 2.957 2.987 7.518
141 HE1 TYR 17 HE1 TYR 17 3.343 -1.095 10.339
142 HE2 TYR 17 HE2 TYR 17 4.822 2.787 9.160
143 HH TYR 17 HH TYR 17 5.812 1.473 10.755
144 H ALA 18 H ALA 18 1.526 1.908 3.751
145 HA ALA 18 HA ALA 18 -1.097 1.706 2.581
146 HB1 ALA 18 HB1 ALA 18 -0.093 2.936 0.720
147 HB2 ALA 18 HB2 ALA 18 0.441 3.629 2.259
148 HB3 ALA 18 HB3 ALA 18 1.538 2.593 1.317
149 H TYR 19 H TYR 19 2.044 0.132 1.596
150 HA TYR 19 HA TYR 19 0.926 -1.564 -0.411
151 HB2 TYR 19 HB2 TYR 19 3.429 -1.166 0.254
152 HB3 TYR 19 HB3 TYR 19 3.287 -2.117 1.443
153 HD1 TYR 19 HD1 TYR 19 3.216 -4.567 1.231
154 HD2 TYR 19 HD2 TYR 19 3.150 -2.029 -2.261
155 HE1 TYR 19 HE1 TYR 19 3.711 -6.536 -0.220
156 HE2 TYR 19 HE2 TYR 19 3.646 -3.997 -3.702
157 HH TYR 19 HH TYR 19 4.060 -6.245 -3.772
158 H GLY 20 H GLY 20 1.240 -2.022 3.112
159 HA2 GLY 20 HA2 GLY 20 0.112 -4.582 3.388
160 HA3 GLY 20 HA3 GLY 20 0.124 -3.306 4.609
161 H LEU 21 H LEU 21 -1.623 -2.039 2.046
162 HA LEU 21 HA LEU 21 -4.094 -3.579 2.543
163 HB2 LEU 21 HB2 LEU 21 -5.351 -1.746 3.310
164 HB3 LEU 21 HB3 LEU 21 -4.045 -1.745 4.172
165 HG LEU 21 HG LEU 21 -3.135 0.056 2.431
166 HD11 LEU 21 HD11 LEU 21 -4.930 1.536 1.637
167 HD12 LEU 21 HD12 LEU 21 -6.163 0.422 2.269
168 HD13 LEU 21 HD13 LEU 21 -5.133 -0.056 0.904
169 HD21 LEU 21 HD21 LEU 21 -5.224 0.646 4.561
170 HD22 LEU 21 HD22 LEU 21 -4.066 1.817 3.882
171 HD23 LEU 21 HD23 LEU 21 -3.476 0.441 4.824
172 H ABA 22 H ABU 22 -2.366 -1.307 0.430
173 HA ABA 22 HA ABU 22 -4.296 -1.562 -1.743
174 HB3 ABA 22 HB3 ABU 22 -2.513 -0.420 -3.056
175 HB2 ABA 22 HB2 ABU 22 -1.440 -0.513 -1.659
176 HG1 ABA 22 HG1 ABU 22 -2.539 1.708 -1.867
177 HG3 ABA 22 HG3 ABU 22 -3.010 0.916 -0.356
178 HG2 ABA 22 HG2 ABU 22 -4.131 0.934 -1.737
179 H PHE 23 H PHE 23 -1.639 -3.497 -0.612
180 HA PHE 23 HA PHE 23 -1.925 -5.318 -2.976
181 HB2 PHE 23 HB2 PHE 23 0.564 -4.303 -1.717
182 HB3 PHE 23 HB3 PHE 23 0.596 -5.836 -1.945
183 HD1 PHE 23 HD1 PHE 23 0.684 -6.930 -4.099
184 HD2 PHE 23 HD2 PHE 23 0.286 -2.642 -3.800
185 HE1 PHE 23 HE1 PHE 23 1.318 -6.705 -6.492
186 HE2 PHE 23 HE2 PHE 23 0.920 -2.422 -6.196
187 HZ PHE 23 HZ PHE 23 1.439 -4.450 -7.542
188 H ARG 24 H ARG 24 -1.019 -5.150 0.486
189 HA ARG 24 HA ARG 24 -0.905 -6.762 2.107
190 HB2 ARG 24 HB2 ARG 24 -3.145 -7.507 2.750
191 HB3 ARG 24 HB3 ARG 24 -2.998 -5.931 2.540
192 HG2 ARG 24 HG2 ARG 24 -5.031 -6.305 1.479
193 HG3 ARG 24 HG3 ARG 24 -4.118 -6.038 0.314
194 HD2 ARG 24 HD2 ARG 24 -3.920 -8.684 0.025
195 HD3 ARG 24 HD3 ARG 24 -4.895 -8.847 1.207
196 HE ARG 24 HE ARG 24 -6.732 -7.870 -0.013
197 HH11 ARG 24 HH11 ARG 24 -3.868 -7.898 -2.069
198 HH12 ARG 24 HH12 ARG 24 -4.849 -7.829 -3.512
199 HH21 ARG 24 HH21 ARG 24 -7.817 -7.624 -1.743
200 HH22 ARG 24 HH22 ARG 24 -7.080 -7.641 -3.349
201 H LEU 25 H LEU 25 0.319 -7.722 -0.081
202 HA LEU 25 HA LEU 25 -0.633 -10.210 -1.044
203 HB2 LEU 25 HB2 LEU 25 0.996 -8.455 -2.086
204 HB3 LEU 25 HB3 LEU 25 2.152 -8.947 -1.174
205 HG LEU 25 HG LEU 25 2.167 -11.232 -2.174
206 HD11 LEU 25 HD11 LEU 25 -0.193 -11.486 -2.833
207 HD12 LEU 25 HD12 LEU 25 0.839 -11.636 -4.251
208 HD13 LEU 25 HD13 LEU 25 -0.050 -10.126 -3.967
209 HD21 LEU 25 HD21 LEU 25 3.004 -10.560 -4.377
210 HD22 LEU 25 HD22 LEU 25 3.538 -9.424 -3.131
211 HD23 LEU 25 HD23 LEU 25 2.212 -8.976 -4.223
212 H NLE 26 H NLE 26 1.419 -9.530 1.689
213 HA NLE 26 HA NLE 26 1.868 -12.384 2.295
214 HB2 NLE 26 HB2 NLE 26 4.289 -12.116 2.418
215 HB3 NLE 26 HB3 NLE 26 3.704 -11.750 0.803
216 HG2 NLE 26 HG2 NLE 26 3.766 -9.229 1.561
217 HG3 NLE 26 HG3 NLE 26 4.694 -9.828 2.937
218 HD2 NLE 26 HD2 NLE 26 6.285 -9.084 1.362
219 HD3 NLE 26 HD3 NLE 26 6.327 -10.850 1.252
220 HE1 NLE 26 HE1 NLE 26 6.383 -9.749 -0.983
221 HE2 NLE 26 HE2 NLE 26 4.928 -10.748 -0.814
222 HE3 NLE 26 HE3 NLE 26 4.824 -8.980 -0.649
223 H GLY 27 H GLY 27 2.412 -12.777 4.443
224 HA2 GLY 27 HA2 GLY 27 2.078 -10.502 6.379
225 HA3 GLY 27 HA3 GLY 27 1.030 -11.934 6.404
226 H ALA 28 H ALA 28 4.332 -12.673 5.685
227 HA ALA 28 HA ALA 28 4.722 -14.214 8.056
228 HB1 ALA 28 HB1 ALA 28 6.739 -13.156 6.019
229 HB2 ALA 28 HB2 ALA 28 7.017 -14.474 7.181
230 HB3 ALA 28 HB3 ALA 28 5.812 -14.676 5.889
231 H SER 29 H SER 29 5.628 -10.880 7.282
232 HA SER 29 HA SER 29 6.643 -10.408 10.049
233 HB2 SER 29 HB2 SER 29 8.304 -9.570 7.666
234 HB3 SER 29 HB3 SER 29 8.657 -9.344 9.159
235 HG SER 29 HG SER 29 9.680 -11.185 8.274
236 H GLY 30 H GLY 30 4.234 -9.355 8.223
237 HA2 GLY 30 HA2 GLY 30 4.422 -6.558 9.023
238 HA3 GLY 30 HA3 GLY 30 4.710 -6.794 7.302
239 HA PRO 31 HA PRO 31 0.225 -6.034 8.546
240 HB2 PRO 31 HB2 PRO 31 -0.273 -3.698 7.318
241 HB3 PRO 31 HB3 PRO 31 0.491 -3.760 8.628
242 HG2 PRO 31 HG2 PRO 31 1.971 -3.359 6.070
243 HG3 PRO 31 HG3 PRO 31 2.172 -2.659 7.327
244 HD2 PRO 31 HD2 PRO 31 3.820 -4.770 7.185
245 HD3 PRO 31 HD3 PRO 31 3.255 -4.373 8.547
246 H ASN 32 H ASN 32 -1.458 -7.011 7.602
247 HA ASN 32 HA ASN 32 -1.746 -7.238 4.678
248 HB2 ASN 32 HB2 ASN 32 -1.251 -9.596 4.638
249 HB3 ASN 32 HB3 ASN 32 -0.050 -8.936 5.306
250 HD21 ASN 32 HD21 ASN 32 0.386 -9.173 7.661
251 HD22 ASN 32 HD22 ASN 32 -0.466 -10.445 8.523
252 H LYS 33 H LYS 33 -3.427 -6.336 7.109
253 HA LYS 33 HA LYS 33 -5.893 -7.940 6.555
254 HB2 LYS 33 HB2 LYS 33 -4.870 -7.374 9.341
255 HB3 LYS 33 HB3 LYS 33 -6.307 -7.845 9.114
256 HG2 LYS 33 HG2 LYS 33 -4.028 -9.601 8.271
257 HG3 LYS 33 HG3 LYS 33 -4.741 -9.737 9.624
258 HD2 LYS 33 HD2 LYS 33 -6.940 -10.202 8.516
259 HD3 LYS 33 HD3 LYS 33 -6.477 -9.878 7.124
260 HE2 LYS 33 HE2 LYS 33 -5.278 -12.277 8.515
261 HE3 LYS 33 HE3 LYS 33 -6.502 -12.349 7.566
262 HZ1 LYS 33 HZ1 LYS 33 -3.837 -11.337 6.713
263 HZ2 LYS 33 HZ2 LYS 33 -5.154 -11.354 5.743
264 HZ3 LYS 33 HZ3 LYS 33 -4.522 -12.760 6.296
265 H LYS 34 H LYS 34 -5.225 -5.452 5.513
266 HA LYS 34 HA LYS 34 -7.829 -4.158 6.050
267 HB2 LYS 34 HB2 LYS 34 -5.389 -2.443 5.735
268 HB3 LYS 34 HB3 LYS 34 -6.828 -1.886 5.782
269 HG2 LYS 34 HG2 LYS 34 -7.015 -2.926 8.212
270 HG3 LYS 34 HG3 LYS 34 -5.537 -3.319 8.140
271 HD2 LYS 34 HD2 LYS 34 -5.033 -0.757 7.570
272 HD3 LYS 34 HD3 LYS 34 -6.477 -0.429 7.847
273 HE2 LYS 34 HE2 LYS 34 -4.673 -1.577 10.017
274 HE3 LYS 34 HE3 LYS 34 -5.017 -0.079 9.845
275 HZ1 LYS 34 HZ1 LYS 34 -7.096 -2.146 10.355
276 HZ2 LYS 34 HZ2 LYS 34 -7.382 -0.541 10.247
277 HZ3 LYS 34 HZ3 LYS 34 -6.473 -1.130 11.454
278 H GLU 35 H GLU 35 -8.443 -2.787 4.134
279 HA GLU 35 HA GLU 35 -6.992 -3.286 1.606
280 HB2 GLU 35 HB2 GLU 35 -9.887 -4.078 1.790
281 HB3 GLU 35 HB3 GLU 35 -9.126 -3.942 0.446
282 HG2 GLU 35 HG2 GLU 35 -7.405 -5.724 1.422
283 HG3 GLU 35 HG3 GLU 35 -8.373 -5.993 2.572
284 H SER 36 H SER 36 -7.836 -1.942 -0.199
285 HA SER 36 HA SER 36 -8.186 0.747 0.449
286 HB2 SER 36 HB2 SER 36 -8.877 -0.499 -2.303
287 HB3 SER 36 HB3 SER 36 -8.611 1.014 -1.931
288 HG SER 36 HG SER 36 -6.815 -0.041 -2.769
289 H ARG 37 H ARG 37 -9.844 2.259 0.190
290 HA ARG 37 HA ARG 37 -12.692 1.340 0.082
291 HB2 ARG 37 HB2 ARG 37 -11.703 3.000 2.388
292 HB3 ARG 37 HB3 ARG 37 -13.181 2.627 2.172
293 HG2 ARG 37 HG2 ARG 37 -11.139 0.580 2.951
294 HG3 ARG 37 HG3 ARG 37 -12.159 1.223 3.902
295 HD2 ARG 37 HD2 ARG 37 -14.083 0.177 2.545
296 HD3 ARG 37 HD3 ARG 37 -13.158 -0.290 1.451
297 HE ARG 37 HE ARG 37 -13.129 -1.384 4.217
298 HH11 ARG 37 HH11 ARG 37 -11.875 -1.852 0.975
299 HH12 ARG 37 HH12 ARG 37 -11.898 -3.575 1.116
300 HH21 ARG 37 HH21 ARG 37 -12.869 -3.556 4.395
301 HH22 ARG 37 HH22 ARG 37 -12.297 -4.501 3.064
302 H GLY 38 H GLY 38 -14.181 3.281 0.229
303 HA2 GLY 38 HA2 GLY 38 -13.235 5.912 -0.477
304 HA3 GLY 38 HA3 GLY 38 -13.892 5.079 -1.883
305 H ARG 39 H ARG 39 -15.114 7.320 -1.235
306 HA ARG 39 HA ARG 39 -17.689 6.605 0.151
307 HB2 ARG 39 HB2 ARG 39 -16.129 9.153 0.588
308 HB3 ARG 39 HB3 ARG 39 -17.585 9.001 1.054
309 HG2 ARG 39 HG2 ARG 39 -16.885 6.914 2.449
310 HG3 ARG 39 HG3 ARG 39 -15.438 7.097 2.051
311 HD2 ARG 39 HD2 ARG 39 -15.395 9.466 3.065
312 HD3 ARG 39 HD3 ARG 39 -16.914 9.440 3.318
313 HE ARG 39 HE ARG 39 -16.090 7.141 4.670
314 HH11 ARG 39 HH11 ARG 39 -15.264 10.540 4.907
315 HH12 ARG 39 HH12 ARG 39 -14.935 10.433 6.614
316 HH21 ARG 39 HH21 ARG 39 -15.677 7.082 6.850
317 HH22 ARG 39 HH22 ARG 39 -15.167 8.524 7.681
318 H GLY 40 H GLY 40 -16.725 7.234 -2.827
319 HA2 GLY 40 HA2 GLY 40 -19.309 8.207 -3.688
320 HA3 GLY 40 HA3 GLY 40 -18.103 9.492 -3.784
321 HN1 NH2 41 H1 NHE 41 -16.268 6.801 -4.537
322 HN2 NH2 41 H2 NHE 41 -16.544 6.778 -6.257
Start of MODEL 4
1 H1 VAL 1 H1 VAL 1 18.400 9.854 -7.683
2 H2 VAL 1 H2 VAL 1 17.468 11.024 -7.032
3 H3 VAL 1 H3 VAL 1 16.784 9.877 -7.974
4 HA VAL 1 HA VAL 1 16.310 9.475 -5.639
5 HB VAL 1 HB VAL 1 17.183 7.144 -5.432
6 HG11 VAL 1 HG11 VAL 1 15.046 7.663 -6.540
7 HG12 VAL 1 HG12 VAL 1 15.881 7.777 -8.110
8 HG13 VAL 1 HG13 VAL 1 15.838 6.241 -7.226
9 HG21 VAL 1 HG21 VAL 1 18.317 6.060 -7.270
10 HG22 VAL 1 HG22 VAL 1 18.406 7.563 -8.196
11 HG23 VAL 1 HG23 VAL 1 19.335 7.379 -6.687
12 H VAL 2 H VAL 2 16.990 9.031 -3.543
13 HA VAL 2 HA VAL 2 19.861 9.475 -2.836
14 HB VAL 2 HB VAL 2 19.183 10.921 -0.958
15 HG11 VAL 2 HG11 VAL 2 18.239 12.053 -3.613
16 HG12 VAL 2 HG12 VAL 2 18.825 12.948 -2.199
17 HG13 VAL 2 HG13 VAL 2 19.935 11.903 -3.101
18 HG21 VAL 2 HG21 VAL 2 16.799 10.214 -0.704
19 HG22 VAL 2 HG22 VAL 2 16.980 11.963 -0.860
20 HG23 VAL 2 HG23 VAL 2 16.412 11.015 -2.244
21 H PHE 3 H PHE 3 18.319 7.034 -3.038
22 HA PHE 3 HA PHE 3 17.395 5.288 -1.977
23 HB2 PHE 3 HB2 PHE 3 19.958 5.192 -1.393
24 HB3 PHE 3 HB3 PHE 3 19.639 5.657 0.017
25 HD1 PHE 3 HD1 PHE 3 19.442 3.984 1.685
26 HD2 PHE 3 HD2 PHE 3 18.173 3.075 -2.338
27 HE1 PHE 3 HE1 PHE 3 18.884 1.665 2.379
28 HE2 PHE 3 HE2 PHE 3 17.600 0.765 -1.634
29 HZ PHE 3 HZ PHE 3 17.952 0.056 0.725
30 H TYR 4 H TYR 4 16.009 7.541 -1.395
31 HA TYR 4 HA TYR 4 14.250 8.277 -0.204
32 HB2 TYR 4 HB2 TYR 4 13.852 5.477 0.728
33 HB3 TYR 4 HB3 TYR 4 12.750 6.517 0.463
34 HD1 TYR 4 HD1 TYR 4 12.317 7.476 -1.899
35 HD2 TYR 4 HD2 TYR 4 14.808 4.030 -1.146
36 HE1 TYR 4 HE1 TYR 4 12.142 6.817 -4.300
37 HE2 TYR 4 HE2 TYR 4 14.633 3.378 -3.542
38 HH TYR 4 HH TYR 4 13.766 3.896 -5.598
39 H VAL 5 H VAL 5 16.809 8.357 1.453
40 HA VAL 5 HA VAL 5 16.392 7.734 4.115
41 HB VAL 5 HB VAL 5 18.003 9.528 4.700
42 HG11 VAL 5 HG11 VAL 5 19.890 8.560 3.492
43 HG12 VAL 5 HG12 VAL 5 18.753 7.299 3.990
44 HG13 VAL 5 HG13 VAL 5 18.796 7.835 2.298
45 HG21 VAL 5 HG21 VAL 5 19.114 10.822 2.940
46 HG22 VAL 5 HG22 VAL 5 17.981 10.211 1.724
47 HG23 VAL 5 HG23 VAL 5 17.410 11.264 3.041
48 H ALA 6 H ALA 6 15.032 10.596 2.518
49 HA ALA 6 HA ALA 6 13.986 11.763 4.969
50 HB1 ALA 6 HB1 ALA 6 12.706 13.185 3.401
51 HB2 ALA 6 HB2 ALA 6 14.421 13.110 2.962
52 HB3 ALA 6 HB3 ALA 6 13.225 12.171 2.039
53 H LEU 7 H LEU 7 12.470 9.816 2.333
54 HA LEU 7 HA LEU 7 9.853 9.712 3.371
55 HB2 LEU 7 HB2 LEU 7 11.068 8.778 1.119
56 HB3 LEU 7 HB3 LEU 7 11.110 7.426 1.831
57 HG LEU 7 HG LEU 7 8.515 8.965 1.360
58 HD11 LEU 7 HD11 LEU 7 9.615 8.140 -0.696
59 HD12 LEU 7 HD12 LEU 7 8.111 7.267 -0.375
60 HD13 LEU 7 HD13 LEU 7 9.674 6.500 -0.013
61 HD21 LEU 7 HD21 LEU 7 7.398 6.762 1.833
62 HD22 LEU 7 HD22 LEU 7 8.118 7.508 3.252
63 HD23 LEU 7 HD23 LEU 7 8.950 6.150 2.448
64 H THR 8 H THR 8 12.586 7.458 3.893
65 HA THR 8 HA THR 8 11.261 5.643 5.615
66 HB THR 8 HB THR 8 14.219 6.306 5.440
67 HG1 THR 8 HG1 THR 8 14.212 4.675 3.905
68 HG21 THR 8 HG21 THR 8 12.794 3.775 6.390
69 HG22 THR 8 HG22 THR 8 13.869 4.816 7.354
70 HG23 THR 8 HG23 THR 8 14.528 3.878 6.015
71 H ALA 9 H ALA 9 12.281 8.875 6.384
72 HA ALA 9 HA ALA 9 12.243 8.254 9.320
73 HB1 ALA 9 HB1 ALA 9 13.962 9.973 9.563
74 HB2 ALA 9 HB2 ALA 9 14.493 8.692 8.457
75 HB3 ALA 9 HB3 ALA 9 13.960 10.257 7.809
76 H VAL 10 H VAL 10 11.868 11.193 7.192
77 HA VAL 10 HA VAL 10 10.144 12.417 9.243
78 HB VAL 10 HB VAL 10 9.973 14.346 7.751
79 HG11 VAL 10 HG11 VAL 10 11.770 14.177 9.424
80 HG12 VAL 10 HG12 VAL 10 12.833 13.414 8.223
81 HG13 VAL 10 HG13 VAL 10 12.285 15.088 7.994
82 HG21 VAL 10 HG21 VAL 10 10.275 13.130 5.541
83 HG22 VAL 10 HG22 VAL 10 11.237 14.602 5.747
84 HG23 VAL 10 HG23 VAL 10 12.010 13.024 5.933
85 H NLE 11 H NLE 11 9.583 10.343 6.619
86 HA NLE 11 HA NLE 11 6.647 10.686 7.065
87 HB2 NLE 11 HB2 NLE 11 7.963 9.691 4.516
88 HB3 NLE 11 HB3 NLE 11 6.233 9.751 4.849
89 HG2 NLE 11 HG2 NLE 11 6.340 12.222 5.048
90 HG3 NLE 11 HG3 NLE 11 8.074 12.174 4.715
91 HD2 NLE 11 HD2 NLE 11 6.937 12.800 2.702
92 HD3 NLE 11 HD3 NLE 11 7.631 11.193 2.477
93 HE1 NLE 11 HE1 NLE 11 5.410 10.160 2.762
94 HE2 NLE 11 HE2 NLE 11 4.703 11.748 3.157
95 HE3 NLE 11 HE3 NLE 11 5.330 11.427 1.527
96 H VAL 12 H VAL 12 8.834 9.109 8.410
97 HA VAL 12 HA VAL 12 9.296 7.038 9.248
98 HB VAL 12 HB VAL 12 7.471 6.270 10.685
99 HG11 VAL 12 HG11 VAL 12 8.861 8.199 11.315
100 HG12 VAL 12 HG12 VAL 12 7.679 9.298 10.570
101 HG13 VAL 12 HG13 VAL 12 7.219 8.305 11.967
102 HG21 VAL 12 HG21 VAL 12 5.709 8.366 9.343
103 HG22 VAL 12 HG22 VAL 12 5.532 6.612 9.123
104 HG23 VAL 12 HG23 VAL 12 5.297 7.333 10.722
105 H ALA 13 H ALA 13 8.990 6.596 6.456
106 HA ALA 13 HA ALA 13 8.715 4.993 4.911
107 HB1 ALA 13 HB1 ALA 13 10.328 3.837 6.445
108 HB2 ALA 13 HB2 ALA 13 8.960 3.005 7.202
109 HB3 ALA 13 HB3 ALA 13 9.331 2.727 5.490
110 H VAL 14 H VAL 14 6.270 6.102 5.944
111 HA VAL 14 HA VAL 14 4.231 4.375 6.570
112 HB VAL 14 HB VAL 14 4.150 6.830 6.602
113 HG11 VAL 14 HG11 VAL 14 3.497 6.686 3.626
114 HG12 VAL 14 HG12 VAL 14 3.496 8.129 4.656
115 HG13 VAL 14 HG13 VAL 14 5.018 7.302 4.313
116 HG21 VAL 14 HG21 VAL 14 2.086 5.527 6.899
117 HG22 VAL 14 HG22 VAL 14 1.800 7.108 6.161
118 HG23 VAL 14 HG23 VAL 14 1.758 5.650 5.154
119 H ALA 15 H ALA 15 5.630 4.610 3.394
120 HA ALA 15 HA ALA 15 3.686 3.430 1.752
121 HB1 ALA 15 HB1 ALA 15 6.713 3.077 1.742
122 HB2 ALA 15 HB2 ALA 15 5.618 2.740 0.384
123 HB3 ALA 15 HB3 ALA 15 5.806 4.402 0.972
124 H LEU 16 H LEU 16 5.608 1.858 4.284
125 HA LEU 16 HA LEU 16 5.232 -0.885 3.635
126 HB2 LEU 16 HB2 LEU 16 6.627 0.058 5.529
127 HB3 LEU 16 HB3 LEU 16 5.389 0.634 6.272
128 HG LEU 16 HG LEU 16 4.435 -1.596 6.763
129 HD11 LEU 16 HD11 LEU 16 6.938 -2.658 5.381
130 HD12 LEU 16 HD12 LEU 16 5.256 -2.906 4.854
131 HD13 LEU 16 HD13 LEU 16 5.820 -3.624 6.368
132 HD21 LEU 16 HD21 LEU 16 6.004 -0.525 8.327
133 HD22 LEU 16 HD22 LEU 16 7.369 -1.323 7.515
134 HD23 LEU 16 HD23 LEU 16 6.143 -2.289 8.370
135 H TYR 17 H TYR 17 3.140 1.306 5.566
136 HA TYR 17 HA TYR 17 1.106 -0.717 6.006
137 HB2 TYR 17 HB2 TYR 17 0.651 2.190 6.485
138 HB3 TYR 17 HB3 TYR 17 -0.075 1.022 7.167
139 HD1 TYR 17 HD1 TYR 17 1.425 -0.774 8.533
140 HD2 TYR 17 HD2 TYR 17 2.616 3.252 7.561
141 HE1 TYR 17 HE1 TYR 17 3.165 -0.852 10.322
142 HE2 TYR 17 HE2 TYR 17 4.360 3.174 9.339
143 HH TYR 17 HH TYR 17 5.340 1.919 10.987
144 H ALA 18 H ALA 18 1.554 1.920 3.659
145 HA ALA 18 HA ALA 18 -1.012 1.747 2.395
146 HB1 ALA 18 HB1 ALA 18 0.085 2.869 0.524
147 HB2 ALA 18 HB2 ALA 18 0.609 3.600 2.053
148 HB3 ALA 18 HB3 ALA 18 1.685 2.486 1.179
149 H TYR 19 H TYR 19 2.109 0.074 1.509
150 HA TYR 19 HA TYR 19 0.991 -1.643 -0.467
151 HB2 TYR 19 HB2 TYR 19 3.492 -1.328 0.205
152 HB3 TYR 19 HB3 TYR 19 3.297 -2.207 1.440
153 HD1 TYR 19 HD1 TYR 19 2.916 -4.683 1.336
154 HD2 TYR 19 HD2 TYR 19 3.427 -2.307 -2.233
155 HE1 TYR 19 HE1 TYR 19 3.297 -6.757 0.002
156 HE2 TYR 19 HE2 TYR 19 3.828 -4.379 -3.551
157 HH TYR 19 HH TYR 19 3.958 -6.658 -3.518
158 H GLY 20 H GLY 20 1.250 -2.068 3.063
159 HA2 GLY 20 HA2 GLY 20 0.162 -4.650 3.309
160 HA3 GLY 20 HA3 GLY 20 0.183 -3.404 4.558
161 H LEU 21 H LEU 21 -1.638 -2.089 2.084
162 HA LEU 21 HA LEU 21 -4.070 -3.687 2.565
163 HB2 LEU 21 HB2 LEU 21 -5.352 -1.911 3.421
164 HB3 LEU 21 HB3 LEU 21 -4.038 -1.909 4.267
165 HG LEU 21 HG LEU 21 -3.179 -0.042 2.539
166 HD11 LEU 21 HD11 LEU 21 -5.026 1.436 1.852
167 HD12 LEU 21 HD12 LEU 21 -6.219 0.282 2.481
168 HD13 LEU 21 HD13 LEU 21 -5.226 -0.134 1.074
169 HD21 LEU 21 HD21 LEU 21 -5.221 0.456 4.747
170 HD22 LEU 21 HD22 LEU 21 -4.095 1.660 4.074
171 HD23 LEU 21 HD23 LEU 21 -3.465 0.265 4.958
172 H ABA 22 H ABU 22 -2.413 -1.318 0.507
173 HA ABA 22 HA ABU 22 -4.427 -1.465 -1.601
174 HB3 ABA 22 HB3 ABU 22 -2.724 -0.217 -2.913
175 HB2 ABA 22 HB2 ABU 22 -1.572 -0.392 -1.588
176 HG1 ABA 22 HG1 ABU 22 -2.681 1.831 -1.598
177 HG3 ABA 22 HG3 ABU 22 -3.079 0.946 -0.115
178 HG2 ABA 22 HG2 ABU 22 -4.267 1.049 -1.434
179 H PHE 23 H PHE 23 -1.788 -3.507 -0.652
180 HA PHE 23 HA PHE 23 -2.048 -5.046 -3.202
181 HB2 PHE 23 HB2 PHE 23 0.248 -3.625 -2.451
182 HB3 PHE 23 HB3 PHE 23 0.633 -4.996 -1.894
183 HD1 PHE 23 HD1 PHE 23 -0.467 -7.022 -3.859
184 HD2 PHE 23 HD2 PHE 23 1.417 -3.192 -4.508
185 HE1 PHE 23 HE1 PHE 23 0.302 -7.774 -6.087
186 HE2 PHE 23 HE2 PHE 23 2.186 -3.956 -6.738
187 HZ PHE 23 HZ PHE 23 1.634 -6.249 -7.532
188 H ARG 24 H ARG 24 -0.748 -5.234 0.137
189 HA ARG 24 HA ARG 24 -0.452 -6.994 1.563
190 HB2 ARG 24 HB2 ARG 24 -2.598 -7.676 2.466
191 HB3 ARG 24 HB3 ARG 24 -2.452 -6.103 2.285
192 HG2 ARG 24 HG2 ARG 24 -4.627 -6.446 1.497
193 HG3 ARG 24 HG3 ARG 24 -3.873 -6.115 0.239
194 HD2 ARG 24 HD2 ARG 24 -3.722 -8.717 -0.242
195 HD3 ARG 24 HD3 ARG 24 -4.474 -8.986 1.075
196 HE ARG 24 HE ARG 24 -6.516 -8.164 0.226
197 HH11 ARG 24 HH11 ARG 24 -4.005 -7.537 -2.167
198 HH12 ARG 24 HH12 ARG 24 -5.191 -7.228 -3.412
199 HH21 ARG 24 HH21 ARG 24 -7.906 -7.648 -1.320
200 HH22 ARG 24 HH22 ARG 24 -7.360 -7.298 -2.953
201 H LEU 25 H LEU 25 0.417 -7.868 -0.876
202 HA LEU 25 HA LEU 25 -0.634 -10.310 -1.782
203 HB2 LEU 25 HB2 LEU 25 1.094 -8.659 -2.845
204 HB3 LEU 25 HB3 LEU 25 2.221 -9.260 -1.975
205 HG LEU 25 HG LEU 25 2.014 -11.516 -3.010
206 HD11 LEU 25 HD11 LEU 25 -0.374 -11.563 -3.601
207 HD12 LEU 25 HD12 LEU 25 0.602 -11.767 -5.056
208 HD13 LEU 25 HD13 LEU 25 -0.150 -10.194 -4.714
209 HD21 LEU 25 HD21 LEU 25 2.840 -10.881 -5.230
210 HD22 LEU 25 HD22 LEU 25 3.515 -9.824 -3.978
211 HD23 LEU 25 HD23 LEU 25 2.200 -9.236 -5.016
212 H NLE 26 H NLE 26 1.512 -9.769 0.900
213 HA NLE 26 HA NLE 26 1.717 -12.631 1.557
214 HB2 NLE 26 HB2 NLE 26 4.140 -12.609 1.663
215 HB3 NLE 26 HB3 NLE 26 3.614 -12.162 0.050
216 HG2 NLE 26 HG2 NLE 26 3.890 -9.658 0.975
217 HG3 NLE 26 HG3 NLE 26 4.860 -10.449 2.215
218 HD2 NLE 26 HD2 NLE 26 6.398 -9.754 0.570
219 HD3 NLE 26 HD3 NLE 26 6.220 -11.492 0.292
220 HE1 NLE 26 HE1 NLE 26 6.204 -10.194 -1.831
221 HE2 NLE 26 HE2 NLE 26 4.647 -11.007 -1.598
222 HE3 NLE 26 HE3 NLE 26 4.803 -9.268 -1.264
223 H GLY 27 H GLY 27 2.543 -12.971 3.743
224 HA2 GLY 27 HA2 GLY 27 2.183 -10.656 5.608
225 HA3 GLY 27 HA3 GLY 27 1.046 -12.009 5.609
226 H ALA 28 H ALA 28 4.347 -12.956 5.105
227 HA ALA 28 HA ALA 28 4.414 -14.498 7.510
228 HB1 ALA 28 HB1 ALA 28 5.623 -15.084 5.441
229 HB2 ALA 28 HB2 ALA 28 6.673 -13.657 5.639
230 HB3 ALA 28 HB3 ALA 28 6.731 -14.980 6.822
231 H SER 29 H SER 29 5.607 -11.244 6.829
232 HA SER 29 HA SER 29 6.555 -10.895 9.643
233 HB2 SER 29 HB2 SER 29 8.357 -10.160 7.326
234 HB3 SER 29 HB3 SER 29 8.677 -9.980 8.834
235 HG SER 29 HG SER 29 9.580 -11.893 7.980
236 H GLY 30 H GLY 30 4.255 -9.654 7.904
237 HA2 GLY 30 HA2 GLY 30 4.603 -6.903 8.788
238 HA3 GLY 30 HA3 GLY 30 4.803 -7.075 7.047
239 HA PRO 31 HA PRO 31 0.338 -6.371 8.473
240 HB2 PRO 31 HB2 PRO 31 -0.192 -3.965 7.401
241 HB3 PRO 31 HB3 PRO 31 0.555 -4.105 8.716
242 HG2 PRO 31 HG2 PRO 31 2.052 -3.474 6.222
243 HG3 PRO 31 HG3 PRO 31 2.236 -2.891 7.544
244 HD2 PRO 31 HD2 PRO 31 3.912 -4.967 7.187
245 HD3 PRO 31 HD3 PRO 31 3.370 -4.684 8.583
246 H ASN 32 H ASN 32 -1.227 -7.448 7.458
247 HA ASN 32 HA ASN 32 -1.465 -7.506 4.506
248 HB2 ASN 32 HB2 ASN 32 -0.761 -9.790 4.360
249 HB3 ASN 32 HB3 ASN 32 0.338 -9.113 5.167
250 HD21 ASN 32 HD21 ASN 32 0.595 -9.502 7.521
251 HD22 ASN 32 HD22 ASN 32 -0.221 -10.893 8.219
252 H LYS 33 H LYS 33 -3.233 -6.985 7.060
253 HA LYS 33 HA LYS 33 -5.601 -8.595 6.202
254 HB2 LYS 33 HB2 LYS 33 -4.758 -8.288 9.077
255 HB3 LYS 33 HB3 LYS 33 -6.148 -8.815 8.713
256 HG2 LYS 33 HG2 LYS 33 -3.713 -10.343 7.838
257 HG3 LYS 33 HG3 LYS 33 -4.493 -10.662 9.129
258 HD2 LYS 33 HD2 LYS 33 -6.606 -11.104 7.804
259 HD3 LYS 33 HD3 LYS 33 -6.034 -10.647 6.489
260 HE2 LYS 33 HE2 LYS 33 -4.819 -13.087 7.807
261 HE3 LYS 33 HE3 LYS 33 -5.981 -13.155 6.787
262 HZ1 LYS 33 HZ1 LYS 33 -3.342 -11.942 6.155
263 HZ2 LYS 33 HZ2 LYS 33 -4.595 -12.009 5.106
264 HZ3 LYS 33 HZ3 LYS 33 -3.892 -13.387 5.638
265 H LYS 34 H LYS 34 -4.982 -6.032 5.431
266 HA LYS 34 HA LYS 34 -7.563 -4.748 6.117
267 HB2 LYS 34 HB2 LYS 34 -5.108 -3.026 5.846
268 HB3 LYS 34 HB3 LYS 34 -6.535 -2.498 6.042
269 HG2 LYS 34 HG2 LYS 34 -6.564 -3.833 8.338
270 HG3 LYS 34 HG3 LYS 34 -5.089 -4.177 8.133
271 HD2 LYS 34 HD2 LYS 34 -4.684 -1.553 7.828
272 HD3 LYS 34 HD3 LYS 34 -6.097 -1.305 8.295
273 HE2 LYS 34 HE2 LYS 34 -4.071 -2.665 10.099
274 HE3 LYS 34 HE3 LYS 34 -4.497 -1.183 10.197
275 HZ1 LYS 34 HZ1 LYS 34 -6.409 -3.430 10.561
276 HZ2 LYS 34 HZ2 LYS 34 -6.790 -1.846 10.722
277 HZ3 LYS 34 HZ3 LYS 34 -5.738 -2.545 11.753
278 H GLU 35 H GLU 35 -8.230 -3.270 4.345
279 HA GLU 35 HA GLU 35 -6.960 -3.709 1.706
280 HB2 GLU 35 HB2 GLU 35 -9.869 -4.386 2.021
281 HB3 GLU 35 HB3 GLU 35 -9.110 -4.342 0.674
282 HG2 GLU 35 HG2 GLU 35 -7.501 -6.186 1.702
283 HG3 GLU 35 HG3 GLU 35 -8.445 -6.321 2.887
284 H SER 36 H SER 36 -7.822 -2.232 0.041
285 HA SER 36 HA SER 36 -8.213 0.436 0.848
286 HB2 SER 36 HB2 SER 36 -9.057 -0.620 -1.862
287 HB3 SER 36 HB3 SER 36 -8.808 0.856 -1.493
288 HG SER 36 HG SER 36 -6.965 -0.139 -2.429
289 H ARG 37 H ARG 37 -9.951 1.784 1.058
290 HA ARG 37 HA ARG 37 -12.756 0.748 0.898
291 HB2 ARG 37 HB2 ARG 37 -11.852 2.364 3.246
292 HB3 ARG 37 HB3 ARG 37 -13.268 1.760 3.082
293 HG2 ARG 37 HG2 ARG 37 -10.867 0.082 3.686
294 HG3 ARG 37 HG3 ARG 37 -11.964 0.484 4.703
295 HD2 ARG 37 HD2 ARG 37 -13.697 -0.858 3.317
296 HD3 ARG 37 HD3 ARG 37 -12.663 -1.154 2.238
297 HE ARG 37 HE ARG 37 -11.490 -2.003 4.717
298 HH11 ARG 37 HH11 ARG 37 -13.957 -3.018 2.445
299 HH12 ARG 37 HH12 ARG 37 -13.812 -4.694 2.898
300 HH21 ARG 37 HH21 ARG 37 -11.398 -4.153 5.284
301 HH22 ARG 37 HH22 ARG 37 -12.386 -5.313 4.446
302 H GLY 38 H GLY 38 -14.325 2.638 1.325
303 HA2 GLY 38 HA2 GLY 38 -13.505 5.345 0.817
304 HA3 GLY 38 HA3 GLY 38 -14.192 4.633 -0.645
305 H ARG 39 H ARG 39 -15.435 6.754 0.258
306 HA ARG 39 HA ARG 39 -17.980 5.823 1.562
307 HB2 ARG 39 HB2 ARG 39 -16.601 8.427 2.180
308 HB3 ARG 39 HB3 ARG 39 -18.028 8.108 2.665
309 HG2 ARG 39 HG2 ARG 39 -17.083 5.971 3.851
310 HG3 ARG 39 HG3 ARG 39 -15.671 6.358 3.472
311 HD2 ARG 39 HD2 ARG 39 -15.905 8.617 4.707
312 HD3 ARG 39 HD3 ARG 39 -17.402 8.364 4.970
313 HE ARG 39 HE ARG 39 -16.120 6.076 6.044
314 HH11 ARG 39 HH11 ARG 39 -16.188 9.516 6.713
315 HH12 ARG 39 HH12 ARG 39 -15.894 9.283 8.416
316 HH21 ARG 39 HH21 ARG 39 -15.760 5.850 8.225
317 HH22 ARG 39 HH22 ARG 39 -15.658 7.258 9.241
318 H GLY 40 H GLY 40 -17.007 6.627 -1.332
319 HA2 GLY 40 HA2 GLY 40 -19.596 7.704 -2.173
320 HA3 GLY 40 HA3 GLY 40 -18.259 8.846 -2.352
321 HN1 NH2 41 H1 NHE 41 -17.660 5.368 -2.867
322 HN2 NH2 41 H2 NHE 41 -17.500 5.500 -4.604
Start of MODEL 5
1 H1 VAL 1 H1 VAL 1 18.980 9.124 -7.236
2 H2 VAL 1 H2 VAL 1 17.883 10.277 -6.884
3 H3 VAL 1 H3 VAL 1 17.457 9.021 -7.839
4 HA VAL 1 HA VAL 1 16.542 8.764 -5.616
5 HB VAL 1 HB VAL 1 17.472 6.516 -5.043
6 HG11 VAL 1 HG11 VAL 1 15.575 6.809 -6.585
7 HG12 VAL 1 HG12 VAL 1 16.700 6.863 -7.966
8 HG13 VAL 1 HG13 VAL 1 16.562 5.396 -6.981
9 HG21 VAL 1 HG21 VAL 1 19.003 5.376 -6.521
10 HG22 VAL 1 HG22 VAL 1 19.199 6.806 -7.543
11 HG23 VAL 1 HG23 VAL 1 19.817 6.803 -5.872
12 H VAL 2 H VAL 2 16.828 8.470 -3.390
13 HA VAL 2 HA VAL 2 19.469 9.219 -2.198
14 HB VAL 2 HB VAL 2 18.323 10.677 -0.577
15 HG11 VAL 2 HG11 VAL 2 17.785 11.572 -3.427
16 HG12 VAL 2 HG12 VAL 2 18.005 12.592 -1.994
17 HG13 VAL 2 HG13 VAL 2 19.362 11.631 -2.605
18 HG21 VAL 2 HG21 VAL 2 16.015 9.737 -0.698
19 HG22 VAL 2 HG22 VAL 2 16.051 11.484 -0.943
20 HG23 VAL 2 HG23 VAL 2 15.840 10.409 -2.336
21 H PHE 3 H PHE 3 18.076 6.625 -2.505
22 HA PHE 3 HA PHE 3 17.165 4.870 -1.432
23 HB2 PHE 3 HB2 PHE 3 19.658 5.105 -0.539
24 HB3 PHE 3 HB3 PHE 3 19.092 5.526 0.806
25 HD1 PHE 3 HD1 PHE 3 18.728 3.851 2.462
26 HD2 PHE 3 HD2 PHE 3 18.432 2.781 -1.707
27 HE1 PHE 3 HE1 PHE 3 18.403 1.469 3.092
28 HE2 PHE 3 HE2 PHE 3 18.094 0.404 -1.073
29 HZ PHE 3 HZ PHE 3 18.078 -0.255 1.327
30 H TYR 4 H TYR 4 15.601 7.123 -1.104
31 HA TYR 4 HA TYR 4 13.766 7.917 -0.082
32 HB2 TYR 4 HB2 TYR 4 13.268 5.147 0.897
33 HB3 TYR 4 HB3 TYR 4 12.196 6.197 0.561
34 HD1 TYR 4 HD1 TYR 4 11.882 7.129 -1.818
35 HD2 TYR 4 HD2 TYR 4 14.338 3.692 -0.928
36 HE1 TYR 4 HE1 TYR 4 11.851 6.477 -4.226
37 HE2 TYR 4 HE2 TYR 4 14.306 3.046 -3.331
38 HH TYR 4 HH TYR 4 13.575 3.576 -5.438
39 H VAL 5 H VAL 5 16.167 8.152 1.697
40 HA VAL 5 HA VAL 5 15.637 7.667 4.372
41 HB VAL 5 HB VAL 5 17.107 9.599 4.921
42 HG11 VAL 5 HG11 VAL 5 19.115 8.647 3.892
43 HG12 VAL 5 HG12 VAL 5 18.023 7.379 4.468
44 HG13 VAL 5 HG13 VAL 5 18.121 7.743 2.734
45 HG21 VAL 5 HG21 VAL 5 18.282 10.790 3.114
46 HG22 VAL 5 HG22 VAL 5 17.220 10.057 1.904
47 HG23 VAL 5 HG23 VAL 5 16.564 11.182 3.115
48 H ALA 6 H ALA 6 14.340 10.459 2.558
49 HA ALA 6 HA ALA 6 13.143 11.721 4.866
50 HB1 ALA 6 HB1 ALA 6 11.926 13.038 3.162
51 HB2 ALA 6 HB2 ALA 6 13.655 12.937 2.790
52 HB3 ALA 6 HB3 ALA 6 12.492 11.938 1.889
53 H LEU 7 H LEU 7 11.834 9.490 2.375
54 HA LEU 7 HA LEU 7 9.149 9.370 3.267
55 HB2 LEU 7 HB2 LEU 7 10.580 8.225 1.218
56 HB3 LEU 7 HB3 LEU 7 10.578 6.977 2.093
57 HG LEU 7 HG LEU 7 8.011 8.393 1.251
58 HD11 LEU 7 HD11 LEU 7 9.250 7.325 -0.601
59 HD12 LEU 7 HD12 LEU 7 7.741 6.467 -0.264
60 HD13 LEU 7 HD13 LEU 7 9.288 5.793 0.296
61 HD21 LEU 7 HD21 LEU 7 6.861 6.301 1.957
62 HD22 LEU 7 HD22 LEU 7 7.545 7.182 3.314
63 HD23 LEU 7 HD23 LEU 7 8.378 5.731 2.692
64 H THR 8 H THR 8 11.969 7.346 4.142
65 HA THR 8 HA THR 8 10.663 5.725 6.081
66 HB THR 8 HB THR 8 13.603 6.408 5.765
67 HG1 THR 8 HG1 THR 8 13.587 4.542 4.514
68 HG21 THR 8 HG21 THR 8 12.245 4.057 7.164
69 HG22 THR 8 HG22 THR 8 13.352 5.245 7.893
70 HG23 THR 8 HG23 THR 8 13.962 4.094 6.704
71 H ALA 9 H ALA 9 11.622 9.051 6.418
72 HA ALA 9 HA ALA 9 11.645 8.803 9.407
73 HB1 ALA 9 HB1 ALA 9 13.229 10.663 9.392
74 HB2 ALA 9 HB2 ALA 9 13.834 9.297 8.437
75 HB3 ALA 9 HB3 ALA 9 13.174 10.727 7.618
76 H VAL 10 H VAL 10 11.116 11.542 7.064
77 HA VAL 10 HA VAL 10 9.300 12.819 8.974
78 HB VAL 10 HB VAL 10 8.930 14.519 7.206
79 HG11 VAL 10 HG11 VAL 10 10.654 14.785 8.928
80 HG12 VAL 10 HG12 VAL 10 11.839 13.954 7.896
81 HG13 VAL 10 HG13 VAL 10 11.153 15.516 7.394
82 HG21 VAL 10 HG21 VAL 10 9.427 13.058 5.199
83 HG22 VAL 10 HG22 VAL 10 10.259 14.621 5.223
84 HG23 VAL 10 HG23 VAL 10 11.148 13.152 5.648
85 H NLE 11 H NLE 11 8.846 10.464 6.555
86 HA NLE 11 HA NLE 11 5.895 10.659 6.995
87 HB2 NLE 11 HB2 NLE 11 7.279 9.580 4.515
88 HB3 NLE 11 HB3 NLE 11 5.545 9.569 4.843
89 HG2 NLE 11 HG2 NLE 11 5.561 12.071 4.936
90 HG3 NLE 11 HG3 NLE 11 7.278 12.050 4.520
91 HD2 NLE 11 HD2 NLE 11 6.061 12.515 2.526
92 HD3 NLE 11 HD3 NLE 11 6.726 10.886 2.373
93 HE1 NLE 11 HE1 NLE 11 4.510 9.910 2.853
94 HE2 NLE 11 HE2 NLE 11 3.847 11.532 3.173
95 HE3 NLE 11 HE3 NLE 11 4.376 11.088 1.539
96 H VAL 12 H VAL 12 8.177 9.253 8.433
97 HA VAL 12 HA VAL 12 8.700 7.232 9.374
98 HB VAL 12 HB VAL 12 6.914 6.507 10.877
99 HG11 VAL 12 HG11 VAL 12 8.283 8.497 11.370
100 HG12 VAL 12 HG12 VAL 12 7.061 9.530 10.599
101 HG13 VAL 12 HG13 VAL 12 6.655 8.603 12.056
102 HG21 VAL 12 HG21 VAL 12 5.095 8.500 9.453
103 HG22 VAL 12 HG22 VAL 12 4.940 6.736 9.340
104 HG23 VAL 12 HG23 VAL 12 4.724 7.544 10.899
105 H ALA 13 H ALA 13 8.446 6.623 6.659
106 HA ALA 13 HA ALA 13 8.323 4.925 5.215
107 HB1 ALA 13 HB1 ALA 13 9.794 3.846 6.921
108 HB2 ALA 13 HB2 ALA 13 8.364 3.066 7.619
109 HB3 ALA 13 HB3 ALA 13 8.859 2.691 5.958
110 H VAL 14 H VAL 14 5.783 6.090 6.064
111 HA VAL 14 HA VAL 14 3.700 4.331 6.463
112 HB VAL 14 HB VAL 14 3.577 6.784 6.517
113 HG11 VAL 14 HG11 VAL 14 3.220 6.673 3.489
114 HG12 VAL 14 HG12 VAL 14 3.118 8.101 4.535
115 HG13 VAL 14 HG13 VAL 14 4.670 7.280 4.318
116 HG21 VAL 14 HG21 VAL 14 1.527 5.409 6.568
117 HG22 VAL 14 HG22 VAL 14 1.280 7.010 5.853
118 HG23 VAL 14 HG23 VAL 14 1.377 5.584 4.804
119 H ALA 15 H ALA 15 5.393 4.678 3.413
120 HA ALA 15 HA ALA 15 3.567 3.464 1.644
121 HB1 ALA 15 HB1 ALA 15 6.608 3.318 1.730
122 HB2 ALA 15 HB2 ALA 15 5.590 2.885 0.339
123 HB3 ALA 15 HB3 ALA 15 5.616 4.558 0.917
124 H LEU 16 H LEU 16 5.509 1.899 4.189
125 HA LEU 16 HA LEU 16 5.157 -0.827 3.302
126 HB2 LEU 16 HB2 LEU 16 6.779 -0.010 5.081
127 HB3 LEU 16 HB3 LEU 16 5.638 0.430 6.035
128 HG LEU 16 HG LEU 16 4.809 -1.853 6.408
129 HD11 LEU 16 HD11 LEU 16 7.066 -2.708 4.544
130 HD12 LEU 16 HD12 LEU 16 5.323 -2.935 4.265
131 HD13 LEU 16 HD13 LEU 16 6.121 -3.800 5.580
132 HD21 LEU 16 HD21 LEU 16 6.607 -0.934 7.821
133 HD22 LEU 16 HD22 LEU 16 7.827 -1.612 6.720
134 HD23 LEU 16 HD23 LEU 16 6.753 -2.690 7.642
135 H TYR 17 H TYR 17 3.301 1.226 5.602
136 HA TYR 17 HA TYR 17 1.276 -0.780 6.106
137 HB2 TYR 17 HB2 TYR 17 0.955 2.152 6.622
138 HB3 TYR 17 HB3 TYR 17 0.094 1.031 7.245
139 HD1 TYR 17 HD1 TYR 17 1.517 -1.013 8.460
140 HD2 TYR 17 HD2 TYR 17 2.781 3.085 7.992
141 HE1 TYR 17 HE1 TYR 17 3.121 -1.285 10.348
142 HE2 TYR 17 HE2 TYR 17 4.388 2.810 9.868
143 HH TYR 17 HH TYR 17 5.240 1.388 11.454
144 H ALA 18 H ALA 18 1.547 1.908 3.769
145 HA ALA 18 HA ALA 18 -1.053 1.619 2.603
146 HB1 ALA 18 HB1 ALA 18 -0.100 2.838 0.720
147 HB2 ALA 18 HB2 ALA 18 0.457 3.560 2.243
148 HB3 ALA 18 HB3 ALA 18 1.546 2.519 1.295
149 H TYR 19 H TYR 19 2.101 0.030 1.664
150 HA TYR 19 HA TYR 19 0.999 -1.650 -0.349
151 HB2 TYR 19 HB2 TYR 19 3.500 -1.340 0.384
152 HB3 TYR 19 HB3 TYR 19 3.288 -2.299 1.548
153 HD1 TYR 19 HD1 TYR 19 3.032 -4.755 1.281
154 HD2 TYR 19 HD2 TYR 19 3.333 -2.138 -2.140
155 HE1 TYR 19 HE1 TYR 19 3.463 -6.722 -0.196
156 HE2 TYR 19 HE2 TYR 19 3.765 -4.102 -3.606
157 HH TYR 19 HH TYR 19 4.000 -6.371 -3.720
158 H GLY 20 H GLY 20 1.172 -2.112 3.178
159 HA2 GLY 20 HA2 GLY 20 -0.010 -4.675 3.371
160 HA3 GLY 20 HA3 GLY 20 0.012 -3.435 4.626
161 H LEU 21 H LEU 21 -1.647 -2.028 2.082
162 HA LEU 21 HA LEU 21 -4.187 -3.476 2.512
163 HB2 LEU 21 HB2 LEU 21 -5.348 -1.626 3.341
164 HB3 LEU 21 HB3 LEU 21 -4.010 -1.602 4.149
165 HG LEU 21 HG LEU 21 -3.168 0.122 2.268
166 HD11 LEU 21 HD11 LEU 21 -5.005 1.608 1.569
167 HD12 LEU 21 HD12 LEU 21 -6.196 0.522 2.313
168 HD13 LEU 21 HD13 LEU 21 -5.266 -0.001 0.898
169 HD21 LEU 21 HD21 LEU 21 -5.080 0.822 4.527
170 HD22 LEU 21 HD22 LEU 21 -3.960 1.946 3.721
171 HD23 LEU 21 HD23 LEU 21 -3.321 0.593 4.664
172 H ABA 22 H ABU 22 -2.293 -1.370 0.417
173 HA ABA 22 HA ABU 22 -4.248 -1.494 -1.770
174 HB3 ABA 22 HB3 ABU 22 -2.457 -0.308 -3.024
175 HB2 ABA 22 HB2 ABU 22 -1.383 -0.459 -1.631
176 HG1 ABA 22 HG1 ABU 22 -2.463 1.777 -1.765
177 HG3 ABA 22 HG3 ABU 22 -2.949 0.938 -0.283
178 HG2 ABA 22 HG2 ABU 22 -4.064 1.017 -1.666
179 H PHE 23 H PHE 23 -1.765 -3.580 -0.601
180 HA PHE 23 HA PHE 23 -1.897 -5.214 -3.104
181 HB2 PHE 23 HB2 PHE 23 0.484 -3.966 -1.966
182 HB3 PHE 23 HB3 PHE 23 0.695 -5.494 -1.905
183 HD1 PHE 23 HD1 PHE 23 0.235 -6.985 -4.016
184 HD2 PHE 23 HD2 PHE 23 0.817 -2.713 -4.127
185 HE1 PHE 23 HE1 PHE 23 0.934 -7.142 -6.395
186 HE2 PHE 23 HE2 PHE 23 1.511 -2.873 -6.507
187 HZ PHE 23 HZ PHE 23 1.577 -5.087 -7.642
188 H ARG 24 H ARG 24 -0.766 -5.284 0.299
189 HA ARG 24 HA ARG 24 -0.446 -7.017 1.745
190 HB2 ARG 24 HB2 ARG 24 -2.587 -7.825 2.597
191 HB3 ARG 24 HB3 ARG 24 -2.464 -6.238 2.482
192 HG2 ARG 24 HG2 ARG 24 -4.615 -6.566 1.662
193 HG3 ARG 24 HG3 ARG 24 -3.861 -6.214 0.410
194 HD2 ARG 24 HD2 ARG 24 -3.696 -8.816 -0.103
195 HD3 ARG 24 HD3 ARG 24 -4.461 -9.097 1.206
196 HE ARG 24 HE ARG 24 -6.494 -8.225 0.358
197 HH11 ARG 24 HH11 ARG 24 -3.960 -7.686 -2.029
198 HH12 ARG 24 HH12 ARG 24 -5.131 -7.390 -3.292
199 HH21 ARG 24 HH21 ARG 24 -7.873 -7.673 -1.216
200 HH22 ARG 24 HH22 ARG 24 -7.297 -7.394 -2.849
201 H LEU 25 H LEU 25 0.561 -7.825 -0.597
202 HA LEU 25 HA LEU 25 -0.284 -10.306 -1.617
203 HB2 LEU 25 HB2 LEU 25 1.383 -8.598 -2.585
204 HB3 LEU 25 HB3 LEU 25 2.474 -9.005 -1.562
205 HG LEU 25 HG LEU 25 2.683 -11.304 -2.452
206 HD11 LEU 25 HD11 LEU 25 0.393 -11.720 -3.260
207 HD12 LEU 25 HD12 LEU 25 1.544 -11.899 -4.584
208 HD13 LEU 25 HD13 LEU 25 0.562 -10.422 -4.465
209 HD21 LEU 25 HD21 LEU 25 3.647 -10.704 -4.622
210 HD22 LEU 25 HD22 LEU 25 4.028 -9.476 -3.406
211 HD23 LEU 25 HD23 LEU 25 2.762 -9.161 -4.610
212 H NLE 26 H NLE 26 1.795 -9.669 1.150
213 HA NLE 26 HA NLE 26 2.003 -12.526 1.843
214 HB2 NLE 26 HB2 NLE 26 4.433 -12.483 1.960
215 HB3 NLE 26 HB3 NLE 26 3.887 -12.110 0.332
216 HG2 NLE 26 HG2 NLE 26 4.202 -9.595 0.990
217 HG3 NLE 26 HG3 NLE 26 5.028 -10.214 2.420
218 HD2 NLE 26 HD2 NLE 26 6.733 -9.718 0.869
219 HD3 NLE 26 HD3 NLE 26 6.589 -11.479 0.831
220 HE1 NLE 26 HE1 NLE 26 6.825 -10.495 -1.443
221 HE2 NLE 26 HE2 NLE 26 5.263 -11.313 -1.279
222 HE3 NLE 26 HE3 NLE 26 5.353 -9.538 -1.188
223 H GLY 27 H GLY 27 2.677 -12.883 4.019
224 HA2 GLY 27 HA2 GLY 27 2.361 -10.541 5.863
225 HA3 GLY 27 HA3 GLY 27 1.169 -11.841 5.812
226 H ALA 28 H ALA 28 4.154 -13.363 5.474
227 HA ALA 28 HA ALA 28 4.134 -14.409 8.147
228 HB1 ALA 28 HB1 ALA 28 4.988 -15.640 6.190
229 HB2 ALA 28 HB2 ALA 28 6.319 -14.467 6.020
230 HB3 ALA 28 HB3 ALA 28 6.222 -15.508 7.456
231 H SER 29 H SER 29 5.647 -11.568 6.803
232 HA SER 29 HA SER 29 6.960 -10.898 9.400
233 HB2 SER 29 HB2 SER 29 8.485 -10.620 6.801
234 HB3 SER 29 HB3 SER 29 8.999 -10.232 8.210
235 HG SER 29 HG SER 29 9.702 -12.307 7.571
236 H GLY 30 H GLY 30 4.489 -9.797 7.862
237 HA2 GLY 30 HA2 GLY 30 5.002 -6.997 8.341
238 HA3 GLY 30 HA3 GLY 30 5.012 -7.342 6.614
239 HA PRO 31 HA PRO 31 0.703 -6.453 8.404
240 HB2 PRO 31 HB2 PRO 31 0.165 -4.014 7.446
241 HB3 PRO 31 HB3 PRO 31 1.051 -4.195 8.668
242 HG2 PRO 31 HG2 PRO 31 2.283 -3.581 6.025
243 HG3 PRO 31 HG3 PRO 31 2.622 -3.008 7.322
244 HD2 PRO 31 HD2 PRO 31 4.190 -5.138 6.782
245 HD3 PRO 31 HD3 PRO 31 3.821 -4.825 8.229
246 H ASN 32 H ASN 32 -1.044 -7.344 7.471
247 HA ASN 32 HA ASN 32 -1.361 -7.480 4.526
248 HB2 ASN 32 HB2 ASN 32 -0.854 -9.831 4.473
249 HB3 ASN 32 HB3 ASN 32 0.332 -9.184 5.175
250 HD21 ASN 32 HD21 ASN 32 0.726 -9.469 7.518
251 HD22 ASN 32 HD22 ASN 32 -0.148 -10.739 8.357
252 H LYS 33 H LYS 33 -3.073 -6.674 7.017
253 HA LYS 33 HA LYS 33 -5.495 -8.342 6.428
254 HB2 LYS 33 HB2 LYS 33 -4.501 -7.647 9.180
255 HB3 LYS 33 HB3 LYS 33 -5.919 -8.188 8.982
256 HG2 LYS 33 HG2 LYS 33 -3.574 -9.888 8.188
257 HG3 LYS 33 HG3 LYS 33 -4.276 -9.990 9.559
258 HD2 LYS 33 HD2 LYS 33 -6.504 -10.496 8.363
259 HD3 LYS 33 HD3 LYS 33 -5.899 -10.379 6.993
260 HE2 LYS 33 HE2 LYS 33 -4.821 -12.518 8.848
261 HE3 LYS 33 HE3 LYS 33 -6.028 -12.762 7.909
262 HZ1 LYS 33 HZ1 LYS 33 -3.379 -11.873 6.882
263 HZ2 LYS 33 HZ2 LYS 33 -4.678 -12.228 5.955
264 HZ3 LYS 33 HZ3 LYS 33 -3.958 -13.399 6.836
265 H LYS 34 H LYS 34 -4.894 -5.780 5.361
266 HA LYS 34 HA LYS 34 -7.484 -4.481 6.029
267 HB2 LYS 34 HB2 LYS 34 -5.046 -2.765 5.637
268 HB3 LYS 34 HB3 LYS 34 -6.470 -2.231 5.836
269 HG2 LYS 34 HG2 LYS 34 -6.436 -3.511 8.184
270 HG3 LYS 34 HG3 LYS 34 -4.950 -3.788 7.963
271 HD2 LYS 34 HD2 LYS 34 -4.697 -1.152 7.558
272 HD3 LYS 34 HD3 LYS 34 -6.115 -0.973 8.062
273 HE2 LYS 34 HE2 LYS 34 -3.945 -2.121 9.840
274 HE3 LYS 34 HE3 LYS 34 -4.511 -0.687 9.923
275 HZ1 LYS 34 HZ1 LYS 34 -6.175 -3.108 10.382
276 HZ2 LYS 34 HZ2 LYS 34 -6.719 -1.567 10.514
277 HZ3 LYS 34 HZ3 LYS 34 -5.576 -2.125 11.536
278 H GLU 35 H GLU 35 -8.161 -2.993 4.254
279 HA GLU 35 HA GLU 35 -6.997 -3.476 1.586
280 HB2 GLU 35 HB2 GLU 35 -9.898 -4.143 1.980
281 HB3 GLU 35 HB3 GLU 35 -9.181 -4.088 0.610
282 HG2 GLU 35 HG2 GLU 35 -7.550 -5.945 1.565
283 HG3 GLU 35 HG3 GLU 35 -8.450 -6.085 2.786
284 H SER 36 H SER 36 -7.891 -2.003 -0.051
285 HA SER 36 HA SER 36 -8.318 0.685 0.850
286 HB2 SER 36 HB2 SER 36 -8.899 -0.282 -1.959
287 HB3 SER 36 HB3 SER 36 -8.766 1.198 -1.503
288 HG SER 36 HG SER 36 -6.745 -0.767 -1.601
289 H ARG 37 H ARG 37 -10.139 2.038 0.736
290 HA ARG 37 HA ARG 37 -12.870 0.825 0.551
291 HB2 ARG 37 HB2 ARG 37 -12.104 2.551 2.878
292 HB3 ARG 37 HB3 ARG 37 -13.491 1.899 2.695
293 HG2 ARG 37 HG2 ARG 37 -11.053 0.294 3.372
294 HG3 ARG 37 HG3 ARG 37 -12.168 0.685 4.366
295 HD2 ARG 37 HD2 ARG 37 -13.862 -0.718 3.033
296 HD3 ARG 37 HD3 ARG 37 -12.861 -0.960 1.905
297 HE ARG 37 HE ARG 37 -11.557 -1.833 4.301
298 HH11 ARG 37 HH11 ARG 37 -14.114 -2.848 2.131
299 HH12 ARG 37 HH12 ARG 37 -13.897 -4.534 2.519
300 HH21 ARG 37 HH21 ARG 37 -11.375 -3.999 4.789
301 HH22 ARG 37 HH22 ARG 37 -12.363 -5.160 3.954
302 H GLY 38 H GLY 38 -14.584 2.546 0.820
303 HA2 GLY 38 HA2 GLY 38 -14.075 5.314 0.314
304 HA3 GLY 38 HA3 GLY 38 -14.506 4.514 -1.199
305 H ARG 39 H ARG 39 -16.141 6.417 -0.557
306 HA ARG 39 HA ARG 39 -18.648 5.178 0.553
307 HB2 ARG 39 HB2 ARG 39 -17.727 7.985 1.119
308 HB3 ARG 39 HB3 ARG 39 -19.144 7.485 1.491
309 HG2 ARG 39 HG2 ARG 39 -18.037 5.615 2.945
310 HG3 ARG 39 HG3 ARG 39 -16.661 6.166 2.652
311 HD2 ARG 39 HD2 ARG 39 -17.328 8.478 3.610
312 HD3 ARG 39 HD3 ARG 39 -18.788 8.023 3.805
313 HE ARG 39 HE ARG 39 -17.587 6.067 5.263
314 HH11 ARG 39 HH11 ARG 39 -17.110 9.541 5.325
315 HH12 ARG 39 HH12 ARG 39 -16.681 9.542 7.015
316 HH21 ARG 39 HH21 ARG 39 -17.054 6.147 7.419
317 HH22 ARG 39 HH22 ARG 39 -16.661 7.670 8.164
318 H GLY 40 H GLY 40 -17.491 6.043 -2.283
319 HA2 GLY 40 HA2 GLY 40 -20.057 7.209 -3.301
320 HA3 GLY 40 HA3 GLY 40 -18.512 7.973 -3.673
321 HN1 NH2 41 H1 NHE 41 -18.632 4.434 -3.577
322 HN2 NH2 41 H2 NHE 41 -18.572 4.218 -5.316
Start of MODEL 6
1 H1 VAL 1 H1 VAL 1 18.661 8.873 -6.226
2 H2 VAL 1 H2 VAL 1 17.665 10.101 -5.824
3 H3 VAL 1 H3 VAL 1 17.114 8.893 -6.777
4 HA VAL 1 HA VAL 1 16.258 8.673 -4.528
5 HB VAL 1 HB VAL 1 17.030 6.356 -4.010
6 HG11 VAL 1 HG11 VAL 1 15.127 6.806 -5.506
7 HG12 VAL 1 HG12 VAL 1 16.223 6.790 -6.912
8 HG13 VAL 1 HG13 VAL 1 15.997 5.329 -5.935
9 HG21 VAL 1 HG21 VAL 1 19.372 6.483 -4.885
10 HG22 VAL 1 HG22 VAL 1 18.443 5.127 -5.533
11 HG23 VAL 1 HG23 VAL 1 18.722 6.552 -6.543
12 H VAL 2 H VAL 2 16.620 8.240 -2.313
13 HA VAL 2 HA VAL 2 19.337 8.841 -1.214
14 HB VAL 2 HB VAL 2 18.314 10.220 0.548
15 HG11 VAL 2 HG11 VAL 2 19.271 11.266 -1.479
16 HG12 VAL 2 HG12 VAL 2 17.653 11.291 -2.217
17 HG13 VAL 2 HG13 VAL 2 17.975 12.224 -0.743
18 HG21 VAL 2 HG21 VAL 2 15.977 9.350 0.500
19 HG22 VAL 2 HG22 VAL 2 16.048 11.109 0.344
20 HG23 VAL 2 HG23 VAL 2 15.736 10.115 -1.090
21 H PHE 3 H PHE 3 17.961 6.304 -1.634
22 HA PHE 3 HA PHE 3 17.098 4.461 -0.689
23 HB2 PHE 3 HB2 PHE 3 19.574 4.616 0.189
24 HB3 PHE 3 HB3 PHE 3 19.049 5.035 1.556
25 HD1 PHE 3 HD1 PHE 3 18.948 3.327 3.184
26 HD2 PHE 3 HD2 PHE 3 18.070 2.336 -0.924
27 HE1 PHE 3 HE1 PHE 3 18.600 0.953 3.826
28 HE2 PHE 3 HE2 PHE 3 17.702 -0.030 -0.272
29 HZ PHE 3 HZ PHE 3 17.966 -0.727 2.102
30 H TYR 4 H TYR 4 15.517 6.700 -0.182
31 HA TYR 4 HA TYR 4 13.676 7.399 0.908
32 HB2 TYR 4 HB2 TYR 4 13.168 4.562 1.659
33 HB3 TYR 4 HB3 TYR 4 12.103 5.638 1.394
34 HD1 TYR 4 HD1 TYR 4 11.702 6.650 -0.911
35 HD2 TYR 4 HD2 TYR 4 14.334 3.291 -0.261
36 HE1 TYR 4 HE1 TYR 4 11.648 6.127 -3.351
37 HE2 TYR 4 HE2 TYR 4 14.284 2.777 -2.696
38 HH TYR 4 HH TYR 4 13.473 3.376 -4.752
39 H VAL 5 H VAL 5 16.114 7.366 2.734
40 HA VAL 5 HA VAL 5 15.415 6.591 5.329
41 HB VAL 5 HB VAL 5 17.131 8.127 6.160
42 HG11 VAL 5 HG11 VAL 5 19.021 7.128 5.001
43 HG12 VAL 5 HG12 VAL 5 17.741 5.924 5.220
44 HG13 VAL 5 HG13 VAL 5 17.995 6.671 3.629
45 HG21 VAL 5 HG21 VAL 5 18.489 9.480 4.608
46 HG22 VAL 5 HG22 VAL 5 17.350 9.149 3.293
47 HG23 VAL 5 HG23 VAL 5 16.838 10.090 4.713
48 H ALA 6 H ALA 6 14.522 9.652 3.757
49 HA ALA 6 HA ALA 6 13.407 10.871 6.127
50 HB1 ALA 6 HB1 ALA 6 12.388 12.434 4.506
51 HB2 ALA 6 HB2 ALA 6 14.105 12.168 4.156
52 HB3 ALA 6 HB3 ALA 6 12.862 11.373 3.163
53 H LEU 7 H LEU 7 11.884 9.046 3.412
54 HA LEU 7 HA LEU 7 9.209 9.131 4.336
55 HB2 LEU 7 HB2 LEU 7 10.409 8.132 2.129
56 HB3 LEU 7 HB3 LEU 7 10.448 6.789 2.842
57 HG LEU 7 HG LEU 7 7.845 8.316 2.371
58 HD11 LEU 7 HD11 LEU 7 8.951 7.514 0.308
59 HD12 LEU 7 HD12 LEU 7 7.449 6.635 0.620
60 HD13 LEU 7 HD13 LEU 7 9.015 5.868 0.977
61 HD21 LEU 7 HD21 LEU 7 6.731 6.124 2.812
62 HD22 LEU 7 HD22 LEU 7 7.459 6.827 4.245
63 HD23 LEU 7 HD23 LEU 7 8.282 5.480 3.408
64 H THR 8 H THR 8 11.805 6.803 4.973
65 HA THR 8 HA THR 8 10.295 5.067 6.694
66 HB THR 8 HB THR 8 13.321 5.248 6.630
67 HG1 THR 8 HG1 THR 8 12.719 5.156 4.507
68 HG21 THR 8 HG21 THR 8 13.139 2.755 6.748
69 HG22 THR 8 HG22 THR 8 11.378 2.899 6.901
70 HG23 THR 8 HG23 THR 8 12.450 3.520 8.178
71 H ALA 9 H ALA 9 11.293 8.206 7.417
72 HA ALA 9 HA ALA 9 11.306 7.619 10.356
73 HB1 ALA 9 HB1 ALA 9 13.074 9.293 10.633
74 HB2 ALA 9 HB2 ALA 9 13.605 7.965 9.582
75 HB3 ALA 9 HB3 ALA 9 13.155 9.529 8.873
76 H VAL 10 H VAL 10 11.221 10.603 8.273
77 HA VAL 10 HA VAL 10 9.453 11.885 10.236
78 HB VAL 10 HB VAL 10 9.519 13.851 8.764
79 HG11 VAL 10 HG11 VAL 10 11.191 13.529 10.543
80 HG12 VAL 10 HG12 VAL 10 12.265 12.696 9.399
81 HG13 VAL 10 HG13 VAL 10 11.861 14.409 9.159
82 HG21 VAL 10 HG21 VAL 10 9.853 12.611 6.571
83 HG22 VAL 10 HG22 VAL 10 10.920 14.000 6.833
84 HG23 VAL 10 HG23 VAL 10 11.546 12.362 7.062
85 H NLE 11 H NLE 11 8.874 9.918 7.527
86 HA NLE 11 HA NLE 11 5.959 10.518 7.813
87 HB2 NLE 11 HB2 NLE 11 7.264 9.345 5.337
88 HB3 NLE 11 HB3 NLE 11 5.552 9.671 5.594
89 HG2 NLE 11 HG2 NLE 11 6.107 12.122 5.870
90 HG3 NLE 11 HG3 NLE 11 7.778 11.740 5.441
91 HD2 NLE 11 HD2 NLE 11 6.738 12.573 3.479
92 HD3 NLE 11 HD3 NLE 11 6.964 10.839 3.233
93 HE1 NLE 11 HE1 NLE 11 4.563 10.449 3.699
94 HE2 NLE 11 HE2 NLE 11 4.346 12.174 4.086
95 HE3 NLE 11 HE3 NLE 11 4.748 11.672 2.433
96 H VAL 12 H VAL 12 7.838 8.779 9.344
97 HA VAL 12 HA VAL 12 8.018 6.682 10.229
98 HB VAL 12 HB VAL 12 5.989 6.085 11.465
99 HG11 VAL 12 HG11 VAL 12 7.510 7.861 12.243
100 HG12 VAL 12 HG12 VAL 12 6.525 9.077 11.404
101 HG13 VAL 12 HG13 VAL 12 5.834 8.138 12.742
102 HG21 VAL 12 HG21 VAL 12 4.594 8.359 9.985
103 HG22 VAL 12 HG22 VAL 12 4.256 6.635 9.730
104 HG23 VAL 12 HG23 VAL 12 3.944 7.374 11.309
105 H ALA 13 H ALA 13 8.088 6.237 7.506
106 HA ALA 13 HA ALA 13 8.020 4.625 5.965
107 HB1 ALA 13 HB1 ALA 13 9.127 3.371 7.822
108 HB2 ALA 13 HB2 ALA 13 7.551 2.678 8.250
109 HB3 ALA 13 HB3 ALA 13 8.271 2.331 6.667
110 H VAL 14 H VAL 14 5.531 6.004 6.392
111 HA VAL 14 HA VAL 14 3.201 4.569 6.366
112 HB VAL 14 HB VAL 14 3.334 6.978 6.277
113 HG11 VAL 14 HG11 VAL 14 3.891 6.733 3.286
114 HG12 VAL 14 HG12 VAL 14 3.573 8.222 4.192
115 HG13 VAL 14 HG13 VAL 14 5.043 7.303 4.518
116 HG21 VAL 14 HG21 VAL 14 1.200 5.840 5.744
117 HG22 VAL 14 HG22 VAL 14 1.364 7.424 4.967
118 HG23 VAL 14 HG23 VAL 14 1.590 5.948 4.012
119 H ALA 15 H ALA 15 5.454 4.607 3.630
120 HA ALA 15 HA ALA 15 3.823 3.431 1.650
121 HB1 ALA 15 HB1 ALA 15 6.819 3.160 2.151
122 HB2 ALA 15 HB2 ALA 15 5.981 2.754 0.638
123 HB3 ALA 15 HB3 ALA 15 6.009 4.432 1.202
124 H LEU 16 H LEU 16 5.476 1.840 4.392
125 HA LEU 16 HA LEU 16 5.167 -0.877 3.482
126 HB2 LEU 16 HB2 LEU 16 6.613 0.011 5.452
127 HB3 LEU 16 HB3 LEU 16 5.345 0.298 6.292
128 HG LEU 16 HG LEU 16 4.643 -2.115 6.287
129 HD11 LEU 16 HD11 LEU 16 7.359 -2.536 4.964
130 HD12 LEU 16 HD12 LEU 16 5.774 -2.907 4.246
131 HD13 LEU 16 HD13 LEU 16 6.336 -3.816 5.654
132 HD21 LEU 16 HD21 LEU 16 5.913 -1.151 8.145
133 HD22 LEU 16 HD22 LEU 16 7.443 -1.529 7.319
134 HD23 LEU 16 HD23 LEU 16 6.373 -2.839 7.872
135 H TYR 17 H TYR 17 3.163 1.239 5.548
136 HA TYR 17 HA TYR 17 1.089 -0.730 6.006
137 HB2 TYR 17 HB2 TYR 17 0.825 2.223 6.444
138 HB3 TYR 17 HB3 TYR 17 -0.115 1.148 7.021
139 HD1 TYR 17 HD1 TYR 17 0.591 -0.513 8.787
140 HD2 TYR 17 HD2 TYR 17 3.209 2.635 7.426
141 HE1 TYR 17 HE1 TYR 17 2.055 -0.853 10.779
142 HE2 TYR 17 HE2 TYR 17 4.656 2.303 9.410
143 HH TYR 17 HH TYR 17 4.995 1.118 11.344
144 H ALA 18 H ALA 18 1.480 1.955 3.665
145 HA ALA 18 HA ALA 18 -1.054 1.692 2.374
146 HB1 ALA 18 HB1 ALA 18 0.055 2.853 0.509
147 HB2 ALA 18 HB2 ALA 18 0.482 3.602 2.060
148 HB3 ALA 18 HB3 ALA 18 1.647 2.543 1.233
149 H TYR 19 H TYR 19 2.117 0.114 1.537
150 HA TYR 19 HA TYR 19 1.136 -1.645 -0.469
151 HB2 TYR 19 HB2 TYR 19 3.566 -1.217 0.317
152 HB3 TYR 19 HB3 TYR 19 3.352 -2.066 1.577
153 HD1 TYR 19 HD1 TYR 19 3.181 -4.547 1.556
154 HD2 TYR 19 HD2 TYR 19 3.707 -2.264 -2.071
155 HE1 TYR 19 HE1 TYR 19 3.949 -6.602 0.364
156 HE2 TYR 19 HE2 TYR 19 4.480 -4.313 -3.251
157 HH TYR 19 HH TYR 19 4.978 -6.534 -3.067
158 H GLY 20 H GLY 20 1.276 -2.064 3.074
159 HA2 GLY 20 HA2 GLY 20 0.118 -4.645 3.243
160 HA3 GLY 20 HA3 GLY 20 0.223 -3.444 4.529
161 H LEU 21 H LEU 21 -1.595 -2.055 2.041
162 HA LEU 21 HA LEU 21 -4.084 -3.518 2.667
163 HB2 LEU 21 HB2 LEU 21 -5.242 -1.667 3.507
164 HB3 LEU 21 HB3 LEU 21 -3.877 -1.624 4.263
165 HG LEU 21 HG LEU 21 -3.118 0.093 2.340
166 HD11 LEU 21 HD11 LEU 21 -4.996 1.541 1.666
167 HD12 LEU 21 HD12 LEU 21 -6.152 0.454 2.464
168 HD13 LEU 21 HD13 LEU 21 -5.261 -0.080 1.029
169 HD21 LEU 21 HD21 LEU 21 -4.996 0.807 4.630
170 HD22 LEU 21 HD22 LEU 21 -3.900 1.927 3.785
171 HD23 LEU 21 HD23 LEU 21 -3.234 0.597 4.740
172 H ABA 22 H ABU 22 -2.414 -1.280 0.460
173 HA ABA 22 HA ABU 22 -4.452 -1.536 -1.616
174 HB3 ABA 22 HB3 ABU 22 -2.765 -0.385 -3.018
175 HB2 ABA 22 HB2 ABU 22 -1.584 -0.502 -1.711
176 HG1 ABA 22 HG1 ABU 22 -2.661 1.734 -1.815
177 HG3 ABA 22 HG3 ABU 22 -3.036 0.935 -0.279
178 HG2 ABA 22 HG2 ABU 22 -4.253 0.987 -1.574
179 H PHE 23 H PHE 23 -1.795 -3.511 -0.563
180 HA PHE 23 HA PHE 23 -2.177 -5.294 -2.932
181 HB2 PHE 23 HB2 PHE 23 0.314 -4.016 -2.112
182 HB3 PHE 23 HB3 PHE 23 0.519 -5.529 -1.952
183 HD1 PHE 23 HD1 PHE 23 -0.068 -7.192 -3.868
184 HD2 PHE 23 HD2 PHE 23 0.285 -2.927 -4.416
185 HE1 PHE 23 HE1 PHE 23 0.291 -7.533 -6.303
186 HE2 PHE 23 HE2 PHE 23 0.645 -3.272 -6.850
187 HZ PHE 23 HZ PHE 23 0.650 -5.574 -7.796
188 H ARG 24 H ARG 24 -0.928 -5.164 0.423
189 HA ARG 24 HA ARG 24 -0.558 -6.803 1.965
190 HB2 ARG 24 HB2 ARG 24 -2.657 -7.744 2.804
191 HB3 ARG 24 HB3 ARG 24 -2.619 -6.149 2.674
192 HG2 ARG 24 HG2 ARG 24 -4.735 -6.574 1.840
193 HG3 ARG 24 HG3 ARG 24 -3.985 -6.223 0.581
194 HD2 ARG 24 HD2 ARG 24 -3.732 -8.837 0.144
195 HD3 ARG 24 HD3 ARG 24 -4.508 -9.100 1.447
196 HE ARG 24 HE ARG 24 -6.549 -8.280 0.556
197 HH11 ARG 24 HH11 ARG 24 -4.003 -7.797 -1.827
198 HH12 ARG 24 HH12 ARG 24 -5.167 -7.549 -3.107
199 HH21 ARG 24 HH21 ARG 24 -7.917 -7.772 -1.038
200 HH22 ARG 24 HH22 ARG 24 -7.335 -7.546 -2.678
201 H LEU 25 H LEU 25 0.622 -7.607 -0.213
202 HA LEU 25 HA LEU 25 -0.068 -10.072 -1.340
203 HB2 LEU 25 HB2 LEU 25 1.707 -8.281 -2.055
204 HB3 LEU 25 HB3 LEU 25 2.698 -8.833 -1.009
205 HG LEU 25 HG LEU 25 2.742 -11.114 -2.087
206 HD11 LEU 25 HD11 LEU 25 0.538 -11.108 -3.208
207 HD12 LEU 25 HD12 LEU 25 1.831 -11.319 -4.390
208 HD13 LEU 25 HD13 LEU 25 1.045 -9.735 -4.221
209 HD21 LEU 25 HD21 LEU 25 4.040 -10.407 -4.050
210 HD22 LEU 25 HD22 LEU 25 4.419 -9.416 -2.634
211 HD23 LEU 25 HD23 LEU 25 3.370 -8.763 -3.912
212 H NLE 26 H NLE 26 1.890 -9.470 1.541
213 HA NLE 26 HA NLE 26 1.793 -12.270 2.382
214 HB2 NLE 26 HB2 NLE 26 4.208 -12.527 2.609
215 HB3 NLE 26 HB3 NLE 26 3.755 -12.259 0.931
216 HG2 NLE 26 HG2 NLE 26 4.444 -9.826 1.189
217 HG3 NLE 26 HG3 NLE 26 4.964 -10.202 2.835
218 HD2 NLE 26 HD2 NLE 26 6.911 -10.217 1.478
219 HD3 NLE 26 HD3 NLE 26 6.570 -11.903 1.878
220 HE1 NLE 26 HE1 NLE 26 7.246 -11.594 -0.498
221 HE2 NLE 26 HE2 NLE 26 5.604 -12.248 -0.388
222 HE3 NLE 26 HE3 NLE 26 5.855 -10.524 -0.758
223 H GLY 27 H GLY 27 2.634 -12.532 4.610
224 HA2 GLY 27 HA2 GLY 27 2.261 -10.049 6.256
225 HA3 GLY 27 HA3 GLY 27 1.120 -11.397 6.305
226 H ALA 28 H ALA 28 4.220 -12.759 6.149
227 HA ALA 28 HA ALA 28 4.112 -13.627 8.887
228 HB1 ALA 28 HB1 ALA 28 5.097 -14.954 7.060
229 HB2 ALA 28 HB2 ALA 28 6.394 -13.746 6.870
230 HB3 ALA 28 HB3 ALA 28 6.263 -14.691 8.368
231 H SER 29 H SER 29 5.510 -10.782 7.463
232 HA SER 29 HA SER 29 6.859 -10.005 10.016
233 HB2 SER 29 HB2 SER 29 8.271 -9.710 7.357
234 HB3 SER 29 HB3 SER 29 8.830 -9.305 8.743
235 HG SER 29 HG SER 29 9.552 -11.370 8.067
236 H GLY 30 H GLY 30 4.323 -8.991 8.423
237 HA2 GLY 30 HA2 GLY 30 4.697 -6.182 8.933
238 HA3 GLY 30 HA3 GLY 30 4.852 -6.510 7.209
239 HA PRO 31 HA PRO 31 0.394 -5.722 8.637
240 HB2 PRO 31 HB2 PRO 31 -0.171 -3.434 7.344
241 HB3 PRO 31 HB3 PRO 31 0.575 -3.441 8.665
242 HG2 PRO 31 HG2 PRO 31 2.070 -3.024 6.128
243 HG3 PRO 31 HG3 PRO 31 2.246 -2.320 7.392
244 HD2 PRO 31 HD2 PRO 31 3.950 -4.394 7.227
245 HD3 PRO 31 HD3 PRO 31 3.398 -3.996 8.591
246 H ASN 32 H ASN 32 -1.218 -6.841 7.716
247 HA ASN 32 HA ASN 32 -1.408 -7.243 4.790
248 HB2 ASN 32 HB2 ASN 32 -0.718 -9.538 4.917
249 HB3 ASN 32 HB3 ASN 32 0.381 -8.768 5.630
250 HD21 ASN 32 HD21 ASN 32 0.619 -8.847 8.028
251 HD22 ASN 32 HD22 ASN 32 -0.186 -10.150 8.886
252 H LYS 33 H LYS 33 -3.218 -6.474 7.271
253 HA LYS 33 HA LYS 33 -5.551 -8.224 6.589
254 HB2 LYS 33 HB2 LYS 33 -4.707 -7.558 9.400
255 HB3 LYS 33 HB3 LYS 33 -6.083 -8.167 9.111
256 HG2 LYS 33 HG2 LYS 33 -3.600 -9.720 8.443
257 HG3 LYS 33 HG3 LYS 33 -4.401 -9.898 9.750
258 HD2 LYS 33 HD2 LYS 33 -6.493 -10.492 8.357
259 HD3 LYS 33 HD3 LYS 33 -5.778 -10.310 7.047
260 HE2 LYS 33 HE2 LYS 33 -4.751 -12.435 8.949
261 HE3 LYS 33 HE3 LYS 33 -5.852 -12.718 7.895
262 HZ1 LYS 33 HZ1 LYS 33 -3.173 -11.667 7.146
263 HZ2 LYS 33 HZ2 LYS 33 -4.358 -12.050 6.090
264 HZ3 LYS 33 HZ3 LYS 33 -3.667 -13.216 7.000
265 H LYS 34 H LYS 34 -4.983 -5.691 5.563
266 HA LYS 34 HA LYS 34 -7.580 -4.390 6.169
267 HB2 LYS 34 HB2 LYS 34 -5.126 -2.678 5.816
268 HB3 LYS 34 HB3 LYS 34 -6.558 -2.137 5.940
269 HG2 LYS 34 HG2 LYS 34 -6.647 -3.323 8.314
270 HG3 LYS 34 HG3 LYS 34 -5.167 -3.668 8.176
271 HD2 LYS 34 HD2 LYS 34 -4.732 -1.087 7.730
272 HD3 LYS 34 HD3 LYS 34 -6.175 -0.790 8.069
273 HE2 LYS 34 HE2 LYS 34 -4.312 -2.010 10.129
274 HE3 LYS 34 HE3 LYS 34 -4.712 -0.519 10.065
275 HZ1 LYS 34 HZ1 LYS 34 -6.691 -2.697 10.482
276 HZ2 LYS 34 HZ2 LYS 34 -7.054 -1.101 10.462
277 HZ3 LYS 34 HZ3 LYS 34 -6.099 -1.710 11.634
278 H GLU 35 H GLU 35 -8.230 -2.957 4.368
279 HA GLU 35 HA GLU 35 -7.017 -3.473 1.729
280 HB2 GLU 35 HB2 GLU 35 -9.928 -4.111 2.081
281 HB3 GLU 35 HB3 GLU 35 -9.185 -4.086 0.726
282 HG2 GLU 35 HG2 GLU 35 -7.589 -5.940 1.745
283 HG3 GLU 35 HG3 GLU 35 -8.516 -6.054 2.948
284 H SER 36 H SER 36 -7.823 -1.971 0.085
285 HA SER 36 HA SER 36 -8.132 0.698 0.906
286 HB2 SER 36 HB2 SER 36 -8.970 -0.297 -1.825
287 HB3 SER 36 HB3 SER 36 -8.633 1.158 -1.442
288 HG SER 36 HG SER 36 -6.840 0.060 -2.349
289 H ARG 37 H ARG 37 -9.829 2.152 0.979
290 HA ARG 37 HA ARG 37 -12.662 1.204 0.817
291 HB2 ARG 37 HB2 ARG 37 -11.719 2.826 3.155
292 HB3 ARG 37 HB3 ARG 37 -13.161 2.317 2.972
293 HG2 ARG 37 HG2 ARG 37 -10.889 0.476 3.621
294 HG3 ARG 37 HG3 ARG 37 -11.963 0.954 4.622
295 HD2 ARG 37 HD2 ARG 37 -13.778 -0.272 3.269
296 HD3 ARG 37 HD3 ARG 37 -12.801 -0.584 2.137
297 HE ARG 37 HE ARG 37 -11.704 -1.590 4.639
298 HH11 ARG 37 HH11 ARG 37 -13.923 -2.406 2.054
299 HH12 ARG 37 HH12 ARG 37 -13.772 -4.119 2.341
300 HH21 ARG 37 HH21 ARG 37 -11.584 -3.788 4.969
301 HH22 ARG 37 HH22 ARG 37 -12.459 -4.871 3.927
302 H GLY 38 H GLY 38 -14.202 3.077 1.064
303 HA2 GLY 38 HA2 GLY 38 -13.431 5.777 0.514
304 HA3 GLY 38 HA3 GLY 38 -13.894 4.980 -0.992
305 H ARG 39 H ARG 39 -15.389 6.987 -0.544
306 HA ARG 39 HA ARG 39 -17.986 6.060 0.653
307 HB2 ARG 39 HB2 ARG 39 -16.888 8.846 0.947
308 HB3 ARG 39 HB3 ARG 39 -18.307 8.441 1.401
309 HG2 ARG 39 HG2 ARG 39 -17.216 6.647 2.969
310 HG3 ARG 39 HG3 ARG 39 -15.831 7.132 2.595
311 HD2 ARG 39 HD2 ARG 39 -16.425 9.531 3.404
312 HD3 ARG 39 HD3 ARG 39 -17.874 9.107 3.690
313 HE ARG 39 HE ARG 39 -16.383 7.231 5.160
314 HH11 ARG 39 HH11 ARG 39 -16.723 10.720 5.183
315 HH12 ARG 39 HH12 ARG 39 -16.358 10.835 6.883
316 HH21 ARG 39 HH21 ARG 39 -15.940 7.450 7.329
317 HH22 ARG 39 HH22 ARG 39 -15.933 9.028 8.061
318 H GLY 40 H GLY 40 -16.898 6.272 -2.216
319 HA2 GLY 40 HA2 GLY 40 -19.330 6.771 -3.528
320 HA3 GLY 40 HA3 GLY 40 -18.429 8.287 -3.602
321 HN1 NH2 41 H1 NHE 41 -15.769 6.676 -3.834
322 HN2 NH2 41 H2 NHE 41 -15.787 6.142 -5.501
Start of MODEL 7
1 H1 VAL 1 H1 VAL 1 19.689 9.389 -5.986
2 H2 VAL 1 H2 VAL 1 18.916 10.800 -5.719
3 H3 VAL 1 H3 VAL 1 18.164 9.611 -6.549
4 HA VAL 1 HA VAL 1 17.302 9.770 -4.296
5 HB VAL 1 HB VAL 1 17.647 7.426 -3.547
6 HG11 VAL 1 HG11 VAL 1 15.886 8.023 -5.168
7 HG12 VAL 1 HG12 VAL 1 16.998 7.649 -6.510
8 HG13 VAL 1 HG13 VAL 1 16.496 6.378 -5.383
9 HG21 VAL 1 HG21 VAL 1 19.994 7.055 -4.328
10 HG22 VAL 1 HG22 VAL 1 18.862 5.818 -4.880
11 HG23 VAL 1 HG23 VAL 1 19.410 7.063 -6.011
12 H VAL 2 H VAL 2 17.612 9.479 -2.042
13 HA VAL 2 HA VAL 2 20.404 9.576 -0.988
14 HB VAL 2 HB VAL 2 19.681 11.183 0.749
15 HG11 VAL 2 HG11 VAL 2 20.921 11.916 -1.253
16 HG12 VAL 2 HG12 VAL 2 19.385 12.275 -2.069
17 HG13 VAL 2 HG13 VAL 2 19.850 13.170 -0.610
18 HG21 VAL 2 HG21 VAL 2 17.201 10.859 0.609
19 HG22 VAL 2 HG22 VAL 2 17.691 12.552 0.469
20 HG23 VAL 2 HG23 VAL 2 17.209 11.655 -0.982
21 H PHE 3 H PHE 3 18.773 7.345 -1.348
22 HA PHE 3 HA PHE 3 17.600 5.665 -0.441
23 HB2 PHE 3 HB2 PHE 3 20.130 5.478 0.352
24 HB3 PHE 3 HB3 PHE 3 19.670 5.796 1.754
25 HD1 PHE 3 HD1 PHE 3 19.153 3.968 3.205
26 HD2 PHE 3 HD2 PHE 3 18.507 3.526 -1.038
27 HE1 PHE 3 HE1 PHE 3 18.480 1.600 3.549
28 HE2 PHE 3 HE2 PHE 3 17.810 1.170 -0.686
29 HZ PHE 3 HZ PHE 3 17.797 0.203 1.607
30 H TYR 4 H TYR 4 16.129 7.776 0.068
31 HA TYR 4 HA TYR 4 14.204 8.332 1.099
32 HB2 TYR 4 HB2 TYR 4 13.979 5.536 2.079
33 HB3 TYR 4 HB3 TYR 4 12.831 6.452 1.627
34 HD1 TYR 4 HD1 TYR 4 12.668 7.273 -0.849
35 HD2 TYR 4 HD2 TYR 4 15.250 4.064 0.452
36 HE1 TYR 4 HE1 TYR 4 12.871 6.473 -3.204
37 HE2 TYR 4 HE2 TYR 4 15.467 3.284 -1.901
38 HH TYR 4 HH TYR 4 14.860 3.622 -4.085
39 H VAL 5 H VAL 5 16.579 8.734 2.920
40 HA VAL 5 HA VAL 5 16.032 8.075 5.567
41 HB VAL 5 HB VAL 5 17.436 10.028 6.221
42 HG11 VAL 5 HG11 VAL 5 19.486 9.172 5.191
43 HG12 VAL 5 HG12 VAL 5 18.418 7.849 5.687
44 HG13 VAL 5 HG13 VAL 5 18.537 8.296 3.974
45 HG21 VAL 5 HG21 VAL 5 18.572 11.353 4.511
46 HG22 VAL 5 HG22 VAL 5 17.622 10.592 3.226
47 HG23 VAL 5 HG23 VAL 5 16.831 11.635 4.430
48 H ALA 6 H ALA 6 14.486 10.728 3.802
49 HA ALA 6 HA ALA 6 13.240 11.860 6.193
50 HB1 ALA 6 HB1 ALA 6 11.971 13.198 4.553
51 HB2 ALA 6 HB2 ALA 6 13.710 13.234 4.212
52 HB3 ALA 6 HB3 ALA 6 12.632 12.224 3.223
53 H LEU 7 H LEU 7 12.012 9.852 3.456
54 HA LEU 7 HA LEU 7 9.362 9.551 4.361
55 HB2 LEU 7 HB2 LEU 7 10.671 8.801 2.139
56 HB3 LEU 7 HB3 LEU 7 10.912 7.450 2.800
57 HG LEU 7 HG LEU 7 8.110 8.591 2.363
58 HD11 LEU 7 HD11 LEU 7 9.332 8.036 0.284
59 HD12 LEU 7 HD12 LEU 7 7.977 6.932 0.551
60 HD13 LEU 7 HD13 LEU 7 9.636 6.395 0.897
61 HD21 LEU 7 HD21 LEU 7 7.357 6.203 2.693
62 HD22 LEU 7 HD22 LEU 7 7.893 7.004 4.161
63 HD23 LEU 7 HD23 LEU 7 8.971 5.837 3.342
64 H THR 8 H THR 8 12.222 7.552 4.991
65 HA THR 8 HA THR 8 10.878 5.574 6.607
66 HB THR 8 HB THR 8 13.869 6.085 6.599
67 HG1 THR 8 HG1 THR 8 13.350 6.029 4.482
68 HG21 THR 8 HG21 THR 8 13.942 3.571 6.593
69 HG22 THR 8 HG22 THR 8 12.176 3.544 6.775
70 HG23 THR 8 HG23 THR 8 13.208 4.218 8.059
71 H ALA 9 H ALA 9 11.487 8.764 7.443
72 HA ALA 9 HA ALA 9 11.599 8.092 10.363
73 HB1 ALA 9 HB1 ALA 9 13.098 10.001 10.683
74 HB2 ALA 9 HB2 ALA 9 13.815 8.808 9.582
75 HB3 ALA 9 HB3 ALA 9 13.121 10.308 8.934
76 H VAL 10 H VAL 10 11.120 11.124 8.421
77 HA VAL 10 HA VAL 10 9.159 12.046 10.392
78 HB VAL 10 HB VAL 10 8.945 14.058 8.978
79 HG11 VAL 10 HG11 VAL 10 10.579 13.924 10.808
80 HG12 VAL 10 HG12 VAL 10 11.806 13.299 9.686
81 HG13 VAL 10 HG13 VAL 10 11.161 14.942 9.483
82 HG21 VAL 10 HG21 VAL 10 9.522 13.008 6.753
83 HG22 VAL 10 HG22 VAL 10 10.393 14.503 7.123
84 HG23 VAL 10 HG23 VAL 10 11.217 12.948 7.293
85 H NLE 11 H NLE 11 8.880 10.164 7.566
86 HA NLE 11 HA NLE 11 5.904 10.407 7.756
87 HB2 NLE 11 HB2 NLE 11 7.429 9.446 5.321
88 HB3 NLE 11 HB3 NLE 11 5.690 9.647 5.497
89 HG2 NLE 11 HG2 NLE 11 6.020 12.112 5.815
90 HG3 NLE 11 HG3 NLE 11 7.752 11.886 5.547
91 HD2 NLE 11 HD2 NLE 11 6.816 12.667 3.506
92 HD3 NLE 11 HD3 NLE 11 7.268 10.977 3.267
93 HE1 NLE 11 HE1 NLE 11 4.902 10.294 3.464
94 HE2 NLE 11 HE2 NLE 11 4.435 11.966 3.859
95 HE3 NLE 11 HE3 NLE 11 5.063 11.569 2.248
96 H VAL 12 H VAL 12 7.971 8.769 9.255
97 HA VAL 12 HA VAL 12 8.326 6.659 10.043
98 HB VAL 12 HB VAL 12 6.365 5.822 11.222
99 HG11 VAL 12 HG11 VAL 12 7.634 7.761 12.077
100 HG12 VAL 12 HG12 VAL 12 6.505 8.858 11.254
101 HG13 VAL 12 HG13 VAL 12 5.927 7.793 12.550
102 HG21 VAL 12 HG21 VAL 12 4.726 7.944 9.768
103 HG22 VAL 12 HG22 VAL 12 4.607 6.198 9.467
104 HG23 VAL 12 HG23 VAL 12 4.179 6.854 11.054
105 H ALA 13 H ALA 13 8.401 6.369 7.241
106 HA ALA 13 HA ALA 13 8.355 4.866 5.586
107 HB1 ALA 13 HB1 ALA 13 9.718 3.600 7.227
108 HB2 ALA 13 HB2 ALA 13 8.255 2.749 7.762
109 HB3 ALA 13 HB3 ALA 13 8.839 2.554 6.099
110 H VAL 14 H VAL 14 5.857 6.003 6.197
111 HA VAL 14 HA VAL 14 3.585 4.522 6.316
112 HB VAL 14 HB VAL 14 3.640 6.927 6.207
113 HG11 VAL 14 HG11 VAL 14 4.051 6.694 3.193
114 HG12 VAL 14 HG12 VAL 14 3.764 8.177 4.117
115 HG13 VAL 14 HG13 VAL 14 5.262 7.276 4.360
116 HG21 VAL 14 HG21 VAL 14 1.507 5.748 5.781
117 HG22 VAL 14 HG22 VAL 14 1.602 7.343 5.017
118 HG23 VAL 14 HG23 VAL 14 1.800 5.884 4.031
119 H ALA 15 H ALA 15 5.653 4.546 3.452
120 HA ALA 15 HA ALA 15 3.949 3.416 1.536
121 HB1 ALA 15 HB1 ALA 15 6.930 2.950 1.989
122 HB2 ALA 15 HB2 ALA 15 6.041 2.635 0.483
123 HB3 ALA 15 HB3 ALA 15 6.202 4.297 1.080
124 H LEU 16 H LEU 16 5.622 1.721 4.221
125 HA LEU 16 HA LEU 16 5.053 -0.965 3.343
126 HB2 LEU 16 HB2 LEU 16 6.670 -0.253 5.210
127 HB3 LEU 16 HB3 LEU 16 5.512 0.234 6.111
128 HG LEU 16 HG LEU 16 4.500 -2.047 6.301
129 HD11 LEU 16 HD11 LEU 16 6.961 -2.915 4.721
130 HD12 LEU 16 HD12 LEU 16 5.269 -3.068 4.194
131 HD13 LEU 16 HD13 LEU 16 5.846 -4.004 5.575
132 HD21 LEU 16 HD21 LEU 16 6.101 -1.239 7.969
133 HD22 LEU 16 HD22 LEU 16 7.451 -1.883 7.006
134 HD23 LEU 16 HD23 LEU 16 6.256 -2.986 7.729
135 H TYR 17 H TYR 17 3.308 1.283 5.504
136 HA TYR 17 HA TYR 17 1.199 -0.590 6.144
137 HB2 TYR 17 HB2 TYR 17 1.140 2.373 6.617
138 HB3 TYR 17 HB3 TYR 17 0.182 1.359 7.260
139 HD1 TYR 17 HD1 TYR 17 0.928 -0.421 8.899
140 HD2 TYR 17 HD2 TYR 17 3.617 2.619 7.431
141 HE1 TYR 17 HE1 TYR 17 2.540 -0.946 10.731
142 HE2 TYR 17 HE2 TYR 17 5.209 2.106 9.260
143 HH TYR 17 HH TYR 17 5.652 0.798 11.090
144 H ALA 18 H ALA 18 1.527 2.019 3.732
145 HA ALA 18 HA ALA 18 -1.124 1.810 2.630
146 HB1 ALA 18 HB1 ALA 18 -0.098 2.913 0.674
147 HB2 ALA 18 HB2 ALA 18 0.395 3.700 2.186
148 HB3 ALA 18 HB3 ALA 18 1.523 2.619 1.339
149 H TYR 19 H TYR 19 1.984 0.217 1.603
150 HA TYR 19 HA TYR 19 0.870 -1.472 -0.375
151 HB2 TYR 19 HB2 TYR 19 3.363 -1.073 0.258
152 HB3 TYR 19 HB3 TYR 19 3.238 -2.009 1.460
153 HD1 TYR 19 HD1 TYR 19 3.145 -4.468 1.279
154 HD2 TYR 19 HD2 TYR 19 3.146 -1.961 -2.235
155 HE1 TYR 19 HE1 TYR 19 3.682 -6.449 -0.142
156 HE2 TYR 19 HE2 TYR 19 3.674 -3.939 -3.649
157 HH TYR 19 HH TYR 19 4.118 -6.180 -3.687
158 H GLY 20 H GLY 20 1.141 -2.002 3.139
159 HA2 GLY 20 HA2 GLY 20 0.167 -4.632 3.314
160 HA3 GLY 20 HA3 GLY 20 0.083 -3.406 4.580
161 H LEU 21 H LEU 21 -1.706 -2.124 2.089
162 HA LEU 21 HA LEU 21 -4.062 -3.863 2.376
163 HB2 LEU 21 HB2 LEU 21 -5.500 -2.181 3.211
164 HB3 LEU 21 HB3 LEU 21 -4.244 -2.229 4.165
165 HG LEU 21 HG LEU 21 -3.308 -0.195 2.732
166 HD11 LEU 21 HD11 LEU 21 -5.145 -0.192 1.025
167 HD12 LEU 21 HD12 LEU 21 -5.122 1.294 1.972
168 HD13 LEU 21 HD13 LEU 21 -6.329 0.040 2.324
169 HD21 LEU 21 HD21 LEU 21 -5.602 0.035 4.725
170 HD22 LEU 21 HD22 LEU 21 -4.458 1.331 4.296
171 HD23 LEU 21 HD23 LEU 21 -3.873 -0.121 5.114
172 H ABA 22 H ABU 22 -2.397 -1.356 0.515
173 HA ABA 22 HA ABU 22 -4.239 -1.496 -1.734
174 HB3 ABA 22 HB3 ABU 22 -2.383 -0.313 -2.925
175 HB2 ABA 22 HB2 ABU 22 -1.381 -0.466 -1.478
176 HG1 ABA 22 HG1 ABU 22 -2.463 1.761 -1.631
177 HG3 ABA 22 HG3 ABU 22 -3.057 0.893 -0.204
178 HG2 ABA 22 HG2 ABU 22 -4.065 0.995 -1.664
179 H PHE 23 H PHE 23 -1.660 -3.550 -0.621
180 HA PHE 23 HA PHE 23 -1.856 -5.190 -3.115
181 HB2 PHE 23 HB2 PHE 23 0.552 -3.896 -2.061
182 HB3 PHE 23 HB3 PHE 23 0.791 -5.410 -2.070
183 HD1 PHE 23 HD1 PHE 23 1.023 -6.765 -4.078
184 HD2 PHE 23 HD2 PHE 23 -0.118 -2.614 -4.333
185 HE1 PHE 23 HE1 PHE 23 1.476 -6.792 -6.520
186 HE2 PHE 23 HE2 PHE 23 0.334 -2.644 -6.779
187 HZ PHE 23 HZ PHE 23 1.133 -4.732 -7.873
188 H ARG 24 H ARG 24 -0.802 -5.192 0.306
189 HA ARG 24 HA ARG 24 -0.509 -6.886 1.811
190 HB2 ARG 24 HB2 ARG 24 -2.667 -7.816 2.473
191 HB3 ARG 24 HB3 ARG 24 -2.644 -6.229 2.331
192 HG2 ARG 24 HG2 ARG 24 -4.678 -6.729 1.321
193 HG3 ARG 24 HG3 ARG 24 -3.827 -6.311 0.147
194 HD2 ARG 24 HD2 ARG 24 -3.428 -8.901 -0.330
195 HD3 ARG 24 HD3 ARG 24 -4.323 -9.228 0.883
196 HE ARG 24 HE ARG 24 -6.295 -8.444 -0.200
197 HH11 ARG 24 HH11 ARG 24 -3.540 -7.805 -2.310
198 HH12 ARG 24 HH12 ARG 24 -4.592 -7.567 -3.686
199 HH21 ARG 24 HH21 ARG 24 -7.492 -8.007 -1.868
200 HH22 ARG 24 HH22 ARG 24 -6.803 -7.676 -3.455
201 H LEU 25 H LEU 25 0.752 -7.671 -0.433
202 HA LEU 25 HA LEU 25 0.068 -10.169 -1.508
203 HB2 LEU 25 HB2 LEU 25 1.758 -8.391 -2.332
204 HB3 LEU 25 HB3 LEU 25 2.789 -8.816 -1.260
205 HG LEU 25 HG LEU 25 3.026 -11.117 -2.199
206 HD11 LEU 25 HD11 LEU 25 0.806 -11.441 -3.212
207 HD12 LEU 25 HD12 LEU 25 2.056 -11.586 -4.448
208 HD13 LEU 25 HD13 LEU 25 1.098 -10.093 -4.335
209 HD21 LEU 25 HD21 LEU 25 4.182 -10.454 -4.255
210 HD22 LEU 25 HD22 LEU 25 4.491 -9.291 -2.954
211 HD23 LEU 25 HD23 LEU 25 3.338 -8.888 -4.244
212 H NLE 26 H NLE 26 1.991 -9.488 1.364
213 HA NLE 26 HA NLE 26 2.119 -12.295 2.184
214 HB2 NLE 26 HB2 NLE 26 4.658 -12.116 2.469
215 HB3 NLE 26 HB3 NLE 26 4.038 -12.409 0.850
216 HG2 NLE 26 HG2 NLE 26 4.408 -10.098 0.194
217 HG3 NLE 26 HG3 NLE 26 4.886 -9.652 1.844
218 HD2 NLE 26 HD2 NLE 26 6.881 -11.018 1.705
219 HD3 NLE 26 HD3 NLE 26 6.350 -11.747 0.177
220 HE1 NLE 26 HE1 NLE 26 8.072 -9.998 -0.188
221 HE2 NLE 26 HE2 NLE 26 6.533 -9.582 -0.970
222 HE3 NLE 26 HE3 NLE 26 6.999 -8.789 0.554
223 H GLY 27 H GLY 27 2.892 -12.560 4.340
224 HA2 GLY 27 HA2 GLY 27 2.549 -10.129 6.071
225 HA3 GLY 27 HA3 GLY 27 1.549 -11.578 6.213
226 H ALA 28 H ALA 28 4.756 -12.534 5.614
227 HA ALA 28 HA ALA 28 5.087 -13.658 8.220
228 HB1 ALA 28 HB1 ALA 28 6.040 -14.613 6.158
229 HB2 ALA 28 HB2 ALA 28 7.113 -13.203 5.984
230 HB3 ALA 28 HB3 ALA 28 7.305 -14.309 7.361
231 H SER 29 H SER 29 6.014 -10.519 6.976
232 HA SER 29 HA SER 29 7.322 -9.780 9.560
233 HB2 SER 29 HB2 SER 29 8.645 -9.131 6.917
234 HB3 SER 29 HB3 SER 29 9.144 -8.672 8.322
235 HG SER 29 HG SER 29 8.924 -11.371 7.450
236 H GLY 30 H GLY 30 4.648 -9.000 8.049
237 HA2 GLY 30 HA2 GLY 30 4.677 -6.219 8.797
238 HA3 GLY 30 HA3 GLY 30 4.839 -6.376 7.050
239 HA PRO 31 HA PRO 31 0.360 -6.246 8.579
240 HB2 PRO 31 HB2 PRO 31 -0.470 -3.890 7.594
241 HB3 PRO 31 HB3 PRO 31 0.310 -3.980 8.897
242 HG2 PRO 31 HG2 PRO 31 1.681 -3.094 6.407
243 HG3 PRO 31 HG3 PRO 31 1.816 -2.536 7.746
244 HD2 PRO 31 HD2 PRO 31 3.722 -4.383 7.298
245 HD3 PRO 31 HD3 PRO 31 3.173 -4.208 8.710
246 H ASN 32 H ASN 32 -1.275 -7.214 7.537
247 HA ASN 32 HA ASN 32 -1.422 -7.399 4.588
248 HB2 ASN 32 HB2 ASN 32 -0.720 -9.719 4.578
249 HB3 ASN 32 HB3 ASN 32 0.393 -8.949 5.268
250 HD21 ASN 32 HD21 ASN 32 0.802 -9.143 7.621
251 HD22 ASN 32 HD22 ASN 32 0.027 -10.455 8.494
252 H LYS 33 H LYS 33 -3.269 -6.723 6.995
253 HA LYS 33 HA LYS 33 -5.494 -8.664 6.459
254 HB2 LYS 33 HB2 LYS 33 -4.634 -7.667 9.162
255 HB3 LYS 33 HB3 LYS 33 -5.977 -8.386 8.990
256 HG2 LYS 33 HG2 LYS 33 -3.430 -9.849 8.350
257 HG3 LYS 33 HG3 LYS 33 -4.150 -9.935 9.715
258 HD2 LYS 33 HD2 LYS 33 -6.285 -10.755 8.477
259 HD3 LYS 33 HD3 LYS 33 -5.606 -10.723 7.140
260 HE2 LYS 33 HE2 LYS 33 -4.415 -12.518 9.276
261 HE3 LYS 33 HE3 LYS 33 -5.564 -12.995 8.355
262 HZ1 LYS 33 HZ1 LYS 33 -3.388 -13.538 7.424
263 HZ2 LYS 33 HZ2 LYS 33 -3.004 -11.960 7.244
264 HZ3 LYS 33 HZ3 LYS 33 -4.226 -12.609 6.377
265 H LYS 34 H LYS 34 -5.051 -5.998 5.361
266 HA LYS 34 HA LYS 34 -7.830 -5.021 5.739
267 HB2 LYS 34 HB2 LYS 34 -5.542 -3.063 5.650
268 HB3 LYS 34 HB3 LYS 34 -7.018 -2.649 5.571
269 HG2 LYS 34 HG2 LYS 34 -7.340 -3.755 7.947
270 HG3 LYS 34 HG3 LYS 34 -5.848 -4.053 8.008
271 HD2 LYS 34 HD2 LYS 34 -5.427 -1.477 7.520
272 HD3 LYS 34 HD3 LYS 34 -6.903 -1.208 7.669
273 HE2 LYS 34 HE2 LYS 34 -5.301 -2.340 9.989
274 HE3 LYS 34 HE3 LYS 34 -5.641 -0.844 9.809
275 HZ1 LYS 34 HZ1 LYS 34 -7.732 -2.939 10.070
276 HZ2 LYS 34 HZ2 LYS 34 -8.026 -1.332 9.952
277 HZ3 LYS 34 HZ3 LYS 34 -7.242 -1.928 11.250
278 H GLU 35 H GLU 35 -8.445 -3.599 3.880
279 HA GLU 35 HA GLU 35 -6.903 -3.952 1.384
280 HB2 GLU 35 HB2 GLU 35 -9.783 -4.796 1.391
281 HB3 GLU 35 HB3 GLU 35 -8.893 -4.689 0.129
282 HG2 GLU 35 HG2 GLU 35 -7.291 -6.449 1.292
283 HG3 GLU 35 HG3 GLU 35 -8.330 -6.651 2.387
284 H SER 36 H SER 36 -7.734 -2.534 -0.362
285 HA SER 36 HA SER 36 -8.135 0.126 0.449
286 HB2 SER 36 HB2 SER 36 -8.798 -0.858 -2.334
287 HB3 SER 36 HB3 SER 36 -8.544 0.604 -1.917
288 HG SER 36 HG SER 36 -6.729 -1.360 -2.366
289 H ARG 37 H ARG 37 -9.838 1.559 0.434
290 HA ARG 37 HA ARG 37 -12.656 0.603 0.138
291 HB2 ARG 37 HB2 ARG 37 -11.840 2.190 2.545
292 HB3 ARG 37 HB3 ARG 37 -13.260 1.635 2.297
293 HG2 ARG 37 HG2 ARG 37 -10.954 -0.131 3.012
294 HG3 ARG 37 HG3 ARG 37 -12.083 0.295 3.976
295 HD2 ARG 37 HD2 ARG 37 -13.803 -0.991 2.583
296 HD3 ARG 37 HD3 ARG 37 -12.815 -1.209 1.442
297 HE ARG 37 HE ARG 37 -11.608 -2.261 3.846
298 HH11 ARG 37 HH11 ARG 37 -13.967 -3.072 1.390
299 HH12 ARG 37 HH12 ARG 37 -13.773 -4.788 1.638
300 HH21 ARG 37 HH21 ARG 37 -11.455 -4.460 4.154
301 HH22 ARG 37 HH22 ARG 37 -12.362 -5.543 3.142
302 H GLY 38 H GLY 38 -14.177 2.527 0.524
303 HA2 GLY 38 HA2 GLY 38 -13.281 5.216 -0.041
304 HA3 GLY 38 HA3 GLY 38 -14.058 4.481 -1.449
305 H ARG 39 H ARG 39 -15.299 6.625 -0.596
306 HA ARG 39 HA ARG 39 -17.647 5.750 1.062
307 HB2 ARG 39 HB2 ARG 39 -16.621 8.526 1.360
308 HB3 ARG 39 HB3 ARG 39 -17.650 7.804 2.255
309 HG2 ARG 39 HG2 ARG 39 -15.612 6.132 2.821
310 HG3 ARG 39 HG3 ARG 39 -14.687 7.167 2.148
311 HD2 ARG 39 HD2 ARG 39 -14.661 8.195 4.286
312 HD3 ARG 39 HD3 ARG 39 -15.746 9.039 3.641
313 HE ARG 39 HE ARG 39 -17.088 6.750 4.745
314 HH11 ARG 39 HH11 ARG 39 -15.416 9.606 5.892
315 HH12 ARG 39 HH12 ARG 39 -16.161 9.521 7.466
316 HH21 ARG 39 HH21 ARG 39 -17.977 6.680 6.779
317 HH22 ARG 39 HH22 ARG 39 -17.573 7.904 7.947
318 H GLY 40 H GLY 40 -17.279 6.044 -1.908
319 HA2 GLY 40 HA2 GLY 40 -19.886 7.019 -2.540
320 HA3 GLY 40 HA3 GLY 40 -18.711 8.273 -2.944
321 HN1 NH2 41 H1 NHE 41 -16.642 6.106 -3.765
322 HN2 NH2 41 H2 NHE 41 -17.238 5.555 -5.314
Start of MODEL 8
1 H1 VAL 1 H1 VAL 1 18.848 8.497 -7.423
2 H2 VAL 1 H2 VAL 1 17.706 9.661 -7.346
3 H3 VAL 1 H3 VAL 1 17.334 8.205 -7.988
4 HA VAL 1 HA VAL 1 16.410 8.432 -5.764
5 HB VAL 1 HB VAL 1 17.460 6.411 -4.685
6 HG11 VAL 1 HG11 VAL 1 15.497 6.267 -6.148
7 HG12 VAL 1 HG12 VAL 1 16.555 6.050 -7.566
8 HG13 VAL 1 HG13 VAL 1 16.533 4.840 -6.270
9 HG21 VAL 1 HG21 VAL 1 19.761 6.575 -5.672
10 HG22 VAL 1 HG22 VAL 1 18.983 5.007 -5.911
11 HG23 VAL 1 HG23 VAL 1 19.073 6.146 -7.261
12 H VAL 2 H VAL 2 16.663 8.710 -3.550
13 HA VAL 2 HA VAL 2 19.333 9.591 -2.513
14 HB VAL 2 HB VAL 2 18.219 11.174 -1.020
15 HG11 VAL 2 HG11 VAL 2 19.087 11.940 -3.206
16 HG12 VAL 2 HG12 VAL 2 17.470 11.719 -3.915
17 HG13 VAL 2 HG13 VAL 2 17.723 12.908 -2.623
18 HG21 VAL 2 HG21 VAL 2 15.955 10.147 -0.879
19 HG22 VAL 2 HG22 VAL 2 15.892 11.852 -1.329
20 HG23 VAL 2 HG23 VAL 2 15.646 10.610 -2.569
21 H PHE 3 H PHE 3 17.874 6.993 -2.564
22 HA PHE 3 HA PHE 3 16.927 5.380 -1.346
23 HB2 PHE 3 HB2 PHE 3 19.606 5.477 -0.844
24 HB3 PHE 3 HB3 PHE 3 19.210 5.663 0.586
25 HD1 PHE 3 HD1 PHE 3 18.632 3.759 1.980
26 HD2 PHE 3 HD2 PHE 3 18.316 3.440 -2.310
27 HE1 PHE 3 HE1 PHE 3 18.140 1.329 2.190
28 HE2 PHE 3 HE2 PHE 3 17.813 1.017 -2.095
29 HZ PHE 3 HZ PHE 3 17.723 -0.040 0.155
30 H TYR 4 H TYR 4 15.460 7.479 -0.798
31 HA TYR 4 HA TYR 4 13.666 8.033 0.434
32 HB2 TYR 4 HB2 TYR 4 13.769 5.348 1.708
33 HB3 TYR 4 HB3 TYR 4 12.509 6.154 1.369
34 HD1 TYR 4 HD1 TYR 4 11.929 6.751 -1.118
35 HD2 TYR 4 HD2 TYR 4 14.849 3.782 0.028
36 HE1 TYR 4 HE1 TYR 4 11.837 5.764 -3.408
37 HE2 TYR 4 HE2 TYR 4 14.755 2.805 -2.257
38 HH TYR 4 HH TYR 4 13.832 2.939 -4.351
39 H VAL 5 H VAL 5 16.256 8.726 1.822
40 HA VAL 5 HA VAL 5 16.213 8.412 4.560
41 HB VAL 5 HB VAL 5 17.464 10.577 4.717
42 HG11 VAL 5 HG11 VAL 5 19.406 9.774 3.453
43 HG12 VAL 5 HG12 VAL 5 18.606 8.458 4.328
44 HG13 VAL 5 HG13 VAL 5 18.378 8.621 2.576
45 HG21 VAL 5 HG21 VAL 5 18.146 11.738 2.685
46 HG22 VAL 5 HG22 VAL 5 17.115 10.701 1.687
47 HG23 VAL 5 HG23 VAL 5 16.392 11.828 2.857
48 H ALA 6 H ALA 6 14.094 10.673 2.852
49 HA ALA 6 HA ALA 6 13.116 11.807 5.412
50 HB1 ALA 6 HB1 ALA 6 11.714 13.202 3.947
51 HB2 ALA 6 HB2 ALA 6 13.422 13.287 3.478
52 HB3 ALA 6 HB3 ALA 6 12.285 12.310 2.520
53 H LEU 7 H LEU 7 11.826 9.764 2.736
54 HA LEU 7 HA LEU 7 9.197 9.482 3.679
55 HB2 LEU 7 HB2 LEU 7 10.513 8.614 1.480
56 HB3 LEU 7 HB3 LEU 7 10.668 7.281 2.205
57 HG LEU 7 HG LEU 7 7.955 8.568 1.656
58 HD11 LEU 7 HD11 LEU 7 9.162 7.735 -0.340
59 HD12 LEU 7 HD12 LEU 7 7.721 6.767 -0.002
60 HD13 LEU 7 HD13 LEU 7 9.328 6.138 0.426
61 HD21 LEU 7 HD21 LEU 7 7.003 6.311 2.206
62 HD22 LEU 7 HD22 LEU 7 7.629 7.176 3.603
63 HD23 LEU 7 HD23 LEU 7 8.583 5.849 2.880
64 H THR 8 H THR 8 12.019 7.359 4.266
65 HA THR 8 HA THR 8 10.693 5.512 5.992
66 HB THR 8 HB THR 8 13.659 6.101 5.694
67 HG1 THR 8 HG1 THR 8 13.539 4.510 4.116
68 HG21 THR 8 HG21 THR 8 13.387 4.544 7.548
69 HG22 THR 8 HG22 THR 8 13.897 3.624 6.138
70 HG23 THR 8 HG23 THR 8 12.191 3.593 6.634
71 H ALA 9 H ALA 9 11.528 8.731 6.727
72 HA ALA 9 HA ALA 9 11.774 8.127 9.656
73 HB1 ALA 9 HB1 ALA 9 13.368 9.987 9.783
74 HB2 ALA 9 HB2 ALA 9 13.937 8.719 8.679
75 HB3 ALA 9 HB3 ALA 9 13.259 10.224 8.025
76 H VAL 10 H VAL 10 11.292 11.173 7.749
77 HA VAL 10 HA VAL 10 9.506 12.164 9.844
78 HB VAL 10 HB VAL 10 9.314 14.205 8.488
79 HG11 VAL 10 HG11 VAL 10 11.099 13.927 10.163
80 HG12 VAL 10 HG12 VAL 10 12.182 13.272 8.915
81 HG13 VAL 10 HG13 VAL 10 11.611 14.951 8.811
82 HG21 VAL 10 HG21 VAL 10 9.617 13.191 6.206
83 HG22 VAL 10 HG22 VAL 10 10.652 14.590 6.524
84 HG23 VAL 10 HG23 VAL 10 11.339 12.961 6.590
85 H NLE 11 H NLE 11 8.973 10.369 6.992
86 HA NLE 11 HA NLE 11 6.019 10.722 7.350
87 HB2 NLE 11 HB2 NLE 11 7.483 9.721 4.893
88 HB3 NLE 11 HB3 NLE 11 5.737 9.816 5.100
89 HG2 NLE 11 HG2 NLE 11 5.847 12.265 5.315
90 HG3 NLE 11 HG3 NLE 11 7.607 12.219 5.168
91 HD2 NLE 11 HD2 NLE 11 6.647 12.886 3.061
92 HD3 NLE 11 HD3 NLE 11 7.431 11.315 2.881
93 HE1 NLE 11 HE1 NLE 11 5.250 10.182 2.880
94 HE2 NLE 11 HE2 NLE 11 4.424 11.718 3.251
95 HE3 NLE 11 HE3 NLE 11 5.235 11.490 1.687
96 H VAL 12 H VAL 12 8.041 9.071 8.846
97 HA VAL 12 HA VAL 12 8.309 7.012 9.762
98 HB VAL 12 HB VAL 12 6.313 6.284 10.955
99 HG11 VAL 12 HG11 VAL 12 7.623 8.229 11.724
100 HG12 VAL 12 HG12 VAL 12 6.536 9.314 10.831
101 HG13 VAL 12 HG13 VAL 12 5.912 8.335 12.173
102 HG21 VAL 12 HG21 VAL 12 4.739 8.370 9.381
103 HG22 VAL 12 HG22 VAL 12 4.588 6.614 9.154
104 HG23 VAL 12 HG23 VAL 12 4.155 7.347 10.706
105 H ALA 13 H ALA 13 8.363 6.596 6.954
106 HA ALA 13 HA ALA 13 8.284 5.015 5.375
107 HB1 ALA 13 HB1 ALA 13 9.660 3.816 7.082
108 HB2 ALA 13 HB2 ALA 13 8.191 3.001 7.651
109 HB3 ALA 13 HB3 ALA 13 8.771 2.730 5.997
110 H VAL 14 H VAL 14 5.792 6.196 5.966
111 HA VAL 14 HA VAL 14 3.550 4.687 6.256
112 HB VAL 14 HB VAL 14 3.575 7.087 6.029
113 HG11 VAL 14 HG11 VAL 14 3.782 6.704 3.011
114 HG12 VAL 14 HG12 VAL 14 3.544 8.229 3.880
115 HG13 VAL 14 HG13 VAL 14 5.065 7.353 4.060
116 HG21 VAL 14 HG21 VAL 14 1.455 7.400 4.939
117 HG22 VAL 14 HG22 VAL 14 1.621 5.879 4.043
118 HG23 VAL 14 HG23 VAL 14 1.442 5.859 5.812
119 H ALA 15 H ALA 15 5.498 4.633 3.318
120 HA ALA 15 HA ALA 15 3.772 3.339 1.526
121 HB1 ALA 15 HB1 ALA 15 6.788 3.058 1.869
122 HB2 ALA 15 HB2 ALA 15 5.857 2.619 0.419
123 HB3 ALA 15 HB3 ALA 15 5.943 4.314 0.930
124 H LEU 16 H LEU 16 5.526 1.871 4.274
125 HA LEU 16 HA LEU 16 5.203 -0.889 3.545
126 HB2 LEU 16 HB2 LEU 16 6.654 0.032 5.422
127 HB3 LEU 16 HB3 LEU 16 5.430 0.542 6.228
128 HG LEU 16 HG LEU 16 4.533 -1.728 6.639
129 HD11 LEU 16 HD11 LEU 16 7.026 -2.670 5.154
130 HD12 LEU 16 HD12 LEU 16 5.339 -2.935 4.657
131 HD13 LEU 16 HD13 LEU 16 5.953 -3.704 6.122
132 HD21 LEU 16 HD21 LEU 16 6.109 -0.695 8.217
133 HD22 LEU 16 HD22 LEU 16 7.478 -1.412 7.336
134 HD23 LEU 16 HD23 LEU 16 6.301 -2.454 8.170
135 H TYR 17 H TYR 17 3.221 1.240 5.630
136 HA TYR 17 HA TYR 17 1.168 -0.730 6.104
137 HB2 TYR 17 HB2 TYR 17 0.808 2.195 6.592
138 HB3 TYR 17 HB3 TYR 17 0.035 1.058 7.271
139 HD1 TYR 17 HD1 TYR 17 1.133 -0.567 8.920
140 HD2 TYR 17 HD2 TYR 17 3.186 2.875 7.334
141 HE1 TYR 17 HE1 TYR 17 2.869 -0.766 10.704
142 HE2 TYR 17 HE2 TYR 17 4.909 2.682 9.109
143 HH TYR 17 HH TYR 17 5.629 1.511 10.941
144 H ALA 18 H ALA 18 1.517 1.940 3.764
145 HA ALA 18 HA ALA 18 -1.068 1.724 2.556
146 HB1 ALA 18 HB1 ALA 18 -0.010 2.893 0.674
147 HB2 ALA 18 HB2 ALA 18 0.485 3.621 2.215
148 HB3 ALA 18 HB3 ALA 18 1.601 2.552 1.335
149 H TYR 19 H TYR 19 2.066 0.110 1.587
150 HA TYR 19 HA TYR 19 0.907 -1.541 -0.426
151 HB2 TYR 19 HB2 TYR 19 3.443 -1.188 0.274
152 HB3 TYR 19 HB3 TYR 19 3.272 -2.244 1.351
153 HD1 TYR 19 HD1 TYR 19 3.066 -4.677 0.865
154 HD2 TYR 19 HD2 TYR 19 3.200 -1.752 -2.307
155 HE1 TYR 19 HE1 TYR 19 3.526 -6.485 -0.796
156 HE2 TYR 19 HE2 TYR 19 3.652 -3.557 -3.957
157 HH TYR 19 HH TYR 19 3.980 -5.795 -4.282
158 H GLY 20 H GLY 20 1.218 -2.044 3.083
159 HA2 GLY 20 HA2 GLY 20 0.130 -4.638 3.295
160 HA3 GLY 20 HA3 GLY 20 0.144 -3.403 4.555
161 H LEU 21 H LEU 21 -1.643 -2.063 2.071
162 HA LEU 21 HA LEU 21 -4.091 -3.649 2.504
163 HB2 LEU 21 HB2 LEU 21 -5.367 -1.862 3.364
164 HB3 LEU 21 HB3 LEU 21 -4.061 -1.906 4.230
165 HG LEU 21 HG LEU 21 -3.140 -0.017 2.578
166 HD11 LEU 21 HD11 LEU 21 -5.123 -0.030 1.043
167 HD12 LEU 21 HD12 LEU 21 -4.945 1.511 1.877
168 HD13 LEU 21 HD13 LEU 21 -6.171 0.348 2.422
169 HD21 LEU 21 HD21 LEU 21 -5.232 0.470 4.736
170 HD22 LEU 21 HD22 LEU 21 -4.068 1.668 4.120
171 HD23 LEU 21 HD23 LEU 21 -3.486 0.243 4.989
172 H ABA 22 H ABU 22 -2.341 -1.359 0.466
173 HA ABA 22 HA ABU 22 -4.306 -1.493 -1.701
174 HB3 ABA 22 HB3 ABU 22 -2.521 -0.315 -2.978
175 HB2 ABA 22 HB2 ABU 22 -1.439 -0.462 -1.590
176 HG1 ABA 22 HG1 ABU 22 -2.522 1.771 -1.711
177 HG3 ABA 22 HG3 ABU 22 -3.014 0.925 -0.234
178 HG2 ABA 22 HG2 ABU 22 -4.124 1.010 -1.619
179 H PHE 23 H PHE 23 -1.679 -3.501 -0.629
180 HA PHE 23 HA PHE 23 -2.004 -5.231 -3.052
181 HB2 PHE 23 HB2 PHE 23 0.510 -4.147 -1.945
182 HB3 PHE 23 HB3 PHE 23 0.591 -5.679 -2.088
183 HD1 PHE 23 HD1 PHE 23 0.637 -6.886 -4.188
184 HD2 PHE 23 HD2 PHE 23 0.010 -2.620 -4.099
185 HE1 PHE 23 HE1 PHE 23 1.074 -6.771 -6.631
186 HE2 PHE 23 HE2 PHE 23 0.448 -2.508 -6.545
187 HZ PHE 23 HZ PHE 23 0.979 -4.582 -7.812
188 H ARG 24 H ARG 24 -1.005 -5.160 0.385
189 HA ARG 24 HA ARG 24 -0.823 -6.818 1.947
190 HB2 ARG 24 HB2 ARG 24 -3.037 -7.665 2.582
191 HB3 ARG 24 HB3 ARG 24 -2.913 -6.077 2.461
192 HG2 ARG 24 HG2 ARG 24 -4.956 -6.411 1.424
193 HG3 ARG 24 HG3 ARG 24 -4.069 -6.076 0.253
194 HD2 ARG 24 HD2 ARG 24 -3.875 -8.702 -0.188
195 HD3 ARG 24 HD3 ARG 24 -4.806 -8.934 1.015
196 HE ARG 24 HE ARG 24 -6.698 -7.989 -0.095
197 HH11 ARG 24 HH11 ARG 24 -3.884 -7.646 -2.195
198 HH12 ARG 24 HH12 ARG 24 -4.903 -7.326 -3.580
199 HH21 ARG 24 HH21 ARG 24 -7.835 -7.492 -1.753
200 HH22 ARG 24 HH22 ARG 24 -7.129 -7.225 -3.349
201 H LEU 25 H LEU 25 0.470 -7.668 -0.171
202 HA LEU 25 HA LEU 25 -0.176 -10.143 -1.313
203 HB2 LEU 25 HB2 LEU 25 1.604 -8.430 -2.007
204 HB3 LEU 25 HB3 LEU 25 2.506 -8.788 -0.794
205 HG LEU 25 HG LEU 25 2.882 -11.126 -1.587
206 HD11 LEU 25 HD11 LEU 25 0.817 -11.497 -2.888
207 HD12 LEU 25 HD12 LEU 25 2.238 -11.703 -3.915
208 HD13 LEU 25 HD13 LEU 25 1.284 -10.207 -4.022
209 HD21 LEU 25 HD21 LEU 25 4.317 -10.515 -3.474
210 HD22 LEU 25 HD22 LEU 25 4.423 -9.305 -2.185
211 HD23 LEU 25 HD23 LEU 25 3.465 -8.963 -3.641
212 H NLE 26 H NLE 26 1.683 -9.503 1.639
213 HA NLE 26 HA NLE 26 1.694 -12.303 2.507
214 HB2 NLE 26 HB2 NLE 26 4.163 -12.436 2.579
215 HB3 NLE 26 HB3 NLE 26 3.539 -12.309 0.939
216 HG2 NLE 26 HG2 NLE 26 4.091 -9.823 0.990
217 HG3 NLE 26 HG3 NLE 26 4.872 -10.093 2.559
218 HD2 NLE 26 HD2 NLE 26 6.424 -11.715 1.495
219 HD3 NLE 26 HD3 NLE 26 5.607 -11.479 -0.064
220 HE1 NLE 26 HE1 NLE 26 7.669 -10.144 0.041
221 HE2 NLE 26 HE2 NLE 26 6.249 -9.081 -0.045
222 HE3 NLE 26 HE3 NLE 26 7.089 -9.323 1.507
223 H GLY 27 H GLY 27 2.596 -12.547 4.665
224 HA2 GLY 27 HA2 GLY 27 2.357 -10.062 6.331
225 HA3 GLY 27 HA3 GLY 27 1.195 -11.387 6.434
226 H ALA 28 H ALA 28 4.411 -12.574 6.073
227 HA ALA 28 HA ALA 28 4.416 -13.770 8.669
228 HB1 ALA 28 HB1 ALA 28 5.571 -14.708 6.702
229 HB2 ALA 28 HB2 ALA 28 6.705 -13.334 6.701
230 HB3 ALA 28 HB3 ALA 28 6.692 -14.481 8.056
231 H SER 29 H SER 29 5.673 -10.676 7.582
232 HA SER 29 HA SER 29 6.576 -9.966 10.335
233 HB2 SER 29 HB2 SER 29 8.433 -9.475 7.994
234 HB3 SER 29 HB3 SER 29 8.707 -9.116 9.473
235 HG SER 29 HG SER 29 8.655 -11.346 10.047
236 H GLY 30 H GLY 30 4.261 -9.051 8.494
237 HA2 GLY 30 HA2 GLY 30 4.527 -6.203 8.973
238 HA3 GLY 30 HA3 GLY 30 4.731 -6.596 7.269
239 HA PRO 31 HA PRO 31 0.243 -5.865 8.622
240 HB2 PRO 31 HB2 PRO 31 -0.319 -3.537 7.404
241 HB3 PRO 31 HB3 PRO 31 0.417 -3.583 8.732
242 HG2 PRO 31 HG2 PRO 31 1.924 -3.076 6.216
243 HG3 PRO 31 HG3 PRO 31 2.088 -2.409 7.504
244 HD2 PRO 31 HD2 PRO 31 3.805 -4.469 7.284
245 HD3 PRO 31 HD3 PRO 31 3.248 -4.104 8.657
246 H ASN 32 H ASN 32 -1.364 -6.909 7.632
247 HA ASN 32 HA ASN 32 -1.609 -7.080 4.697
248 HB2 ASN 32 HB2 ASN 32 -1.016 -9.405 4.592
249 HB3 ASN 32 HB3 ASN 32 0.146 -8.748 5.322
250 HD21 ASN 32 HD21 ASN 32 0.392 -8.949 7.741
251 HD22 ASN 32 HD22 ASN 32 -0.387 -10.321 8.507
252 H LYS 33 H LYS 33 -3.295 -6.520 7.356
253 HA LYS 33 HA LYS 33 -5.603 -8.353 6.783
254 HB2 LYS 33 HB2 LYS 33 -4.982 -7.164 9.455
255 HB3 LYS 33 HB3 LYS 33 -6.148 -8.154 9.181
256 HG2 LYS 33 HG2 LYS 33 -3.287 -9.010 9.182
257 HG3 LYS 33 HG3 LYS 33 -4.371 -9.394 10.207
258 HD2 LYS 33 HD2 LYS 33 -5.656 -10.538 8.162
259 HD3 LYS 33 HD3 LYS 33 -4.446 -10.241 7.286
260 HE2 LYS 33 HE2 LYS 33 -3.066 -11.502 9.341
261 HE3 LYS 33 HE3 LYS 33 -4.430 -12.058 9.707
262 HZ1 LYS 33 HZ1 LYS 33 -3.341 -13.505 8.104
263 HZ2 LYS 33 HZ2 LYS 33 -3.224 -12.299 7.007
264 HZ3 LYS 33 HZ3 LYS 33 -4.697 -12.929 7.389
265 H LYS 34 H LYS 34 -5.094 -5.717 5.572
266 HA LYS 34 HA LYS 34 -7.786 -4.519 6.030
267 HB2 LYS 34 HB2 LYS 34 -5.351 -2.767 5.783
268 HB3 LYS 34 HB3 LYS 34 -6.790 -2.241 5.851
269 HG2 LYS 34 HG2 LYS 34 -6.974 -3.369 8.230
270 HG3 LYS 34 HG3 LYS 34 -5.509 -3.782 8.149
271 HD2 LYS 34 HD2 LYS 34 -4.938 -1.230 7.674
272 HD3 LYS 34 HD3 LYS 34 -6.370 -0.859 7.974
273 HE2 LYS 34 HE2 LYS 34 -4.637 -2.174 10.093
274 HE3 LYS 34 HE3 LYS 34 -4.900 -0.655 9.993
275 HZ1 LYS 34 HZ1 LYS 34 -7.083 -2.631 10.394
276 HZ2 LYS 34 HZ2 LYS 34 -7.288 -1.008 10.350
277 HZ3 LYS 34 HZ3 LYS 34 -6.422 -1.692 11.550
278 H GLU 35 H GLU 35 -8.428 -3.138 4.197
279 HA GLU 35 HA GLU 35 -7.011 -3.514 1.636
280 HB2 GLU 35 HB2 GLU 35 -9.895 -4.336 1.783
281 HB3 GLU 35 HB3 GLU 35 -9.078 -4.215 0.471
282 HG2 GLU 35 HG2 GLU 35 -7.426 -5.999 1.527
283 HG3 GLU 35 HG3 GLU 35 -8.418 -6.220 2.657
284 H SER 36 H SER 36 -7.995 -2.139 -0.101
285 HA SER 36 HA SER 36 -8.548 0.551 0.790
286 HB2 SER 36 HB2 SER 36 -8.934 -0.482 -2.034
287 HB3 SER 36 HB3 SER 36 -8.984 1.007 -1.604
288 HG SER 36 HG SER 36 -6.738 -0.723 -1.305
289 H ARG 37 H ARG 37 -10.423 1.757 0.747
290 HA ARG 37 HA ARG 37 -13.085 0.468 0.306
291 HB2 ARG 37 HB2 ARG 37 -12.557 2.051 2.792
292 HB3 ARG 37 HB3 ARG 37 -13.892 1.344 2.467
293 HG2 ARG 37 HG2 ARG 37 -11.424 -0.175 3.219
294 HG3 ARG 37 HG3 ARG 37 -12.621 0.104 4.158
295 HD2 ARG 37 HD2 ARG 37 -14.145 -1.302 2.611
296 HD3 ARG 37 HD3 ARG 37 -13.034 -1.453 1.580
297 HE ARG 37 HE ARG 37 -12.018 -2.350 4.148
298 HH11 ARG 37 HH11 ARG 37 -13.979 -3.430 1.451
299 HH12 ARG 37 HH12 ARG 37 -13.638 -5.112 1.765
300 HH21 ARG 37 HH21 ARG 37 -11.665 -4.517 4.510
301 HH22 ARG 37 HH22 ARG 37 -12.337 -5.696 3.423
302 H GLY 38 H GLY 38 -14.849 2.233 0.701
303 HA2 GLY 38 HA2 GLY 38 -14.184 5.003 0.208
304 HA3 GLY 38 HA3 GLY 38 -14.801 4.223 -1.249
305 H ARG 39 H ARG 39 -16.211 6.257 -0.453
306 HA ARG 39 HA ARG 39 -18.677 5.222 0.930
307 HB2 ARG 39 HB2 ARG 39 -17.452 7.943 1.339
308 HB3 ARG 39 HB3 ARG 39 -18.872 7.600 1.840
309 HG2 ARG 39 HG2 ARG 39 -17.844 5.619 3.206
310 HG3 ARG 39 HG3 ARG 39 -16.449 6.024 2.795
311 HD2 ARG 39 HD2 ARG 39 -16.756 8.369 3.827
312 HD3 ARG 39 HD3 ARG 39 -18.252 8.108 4.092
313 HE ARG 39 HE ARG 39 -16.949 5.962 5.401
314 HH11 ARG 39 HH11 ARG 39 -17.071 9.450 5.723
315 HH12 ARG 39 HH12 ARG 39 -16.805 9.393 7.445
316 HH21 ARG 39 HH21 ARG 39 -16.628 5.961 7.603
317 HH22 ARG 39 HH22 ARG 39 -16.561 7.465 8.474
318 H GLY 40 H GLY 40 -17.738 6.095 -2.040
319 HA2 GLY 40 HA2 GLY 40 -20.454 6.834 -2.883
320 HA3 GLY 40 HA3 GLY 40 -19.256 8.119 -3.075
321 HN1 NH2 41 H1 NHE 41 -18.263 4.733 -3.572
322 HN2 NH2 41 H2 NHE 41 -18.133 4.868 -5.315
Start of MODEL 9
1 H1 VAL 1 H1 VAL 1 18.303 8.563 -7.128
2 H2 VAL 1 H2 VAL 1 17.148 9.684 -6.867
3 H3 VAL 1 H3 VAL 1 16.740 8.239 -7.511
4 HA VAL 1 HA VAL 1 16.095 8.363 -5.185
5 HB VAL 1 HB VAL 1 17.258 6.340 -4.319
6 HG11 VAL 1 HG11 VAL 1 15.230 6.181 -5.709
7 HG12 VAL 1 HG12 VAL 1 16.243 6.034 -7.169
8 HG13 VAL 1 HG13 VAL 1 16.308 4.794 -5.906
9 HG21 VAL 1 HG21 VAL 1 19.496 6.632 -5.394
10 HG22 VAL 1 HG22 VAL 1 18.769 5.050 -5.691
11 HG23 VAL 1 HG23 VAL 1 18.758 6.268 -6.974
12 H VAL 2 H VAL 2 16.685 8.448 -2.973
13 HA VAL 2 HA VAL 2 19.374 9.583 -2.301
14 HB VAL 2 HB VAL 2 18.328 11.057 -0.644
15 HG11 VAL 2 HG11 VAL 2 18.841 11.907 -2.910
16 HG12 VAL 2 HG12 VAL 2 17.170 11.555 -3.408
17 HG13 VAL 2 HG13 VAL 2 17.487 12.750 -2.137
18 HG21 VAL 2 HG21 VAL 2 16.195 9.829 -0.243
19 HG22 VAL 2 HG22 VAL 2 15.933 11.529 -0.641
20 HG23 VAL 2 HG23 VAL 2 15.637 10.286 -1.870
21 H PHE 3 H PHE 3 18.187 6.846 -2.168
22 HA PHE 3 HA PHE 3 17.504 5.185 -0.835
23 HB2 PHE 3 HB2 PHE 3 20.161 5.439 -0.571
24 HB3 PHE 3 HB3 PHE 3 19.912 5.816 0.865
25 HD1 PHE 3 HD1 PHE 3 19.825 4.084 2.531
26 HD2 PHE 3 HD2 PHE 3 18.693 3.165 -1.530
27 HE1 PHE 3 HE1 PHE 3 19.548 1.692 3.144
28 HE2 PHE 3 HE2 PHE 3 18.401 0.779 -0.909
29 HZ PHE 3 HZ PHE 3 18.828 0.040 1.431
30 H TYR 4 H TYR 4 15.908 7.182 -0.281
31 HA TYR 4 HA TYR 4 14.163 7.673 1.032
32 HB2 TYR 4 HB2 TYR 4 14.511 5.085 2.443
33 HB3 TYR 4 HB3 TYR 4 13.189 5.780 2.102
34 HD1 TYR 4 HD1 TYR 4 12.498 6.182 -0.404
35 HD2 TYR 4 HD2 TYR 4 15.645 3.493 0.827
36 HE1 TYR 4 HE1 TYR 4 12.425 5.063 -2.636
37 HE2 TYR 4 HE2 TYR 4 15.570 2.382 -1.399
38 HH TYR 4 HH TYR 4 14.600 2.339 -3.475
39 H VAL 5 H VAL 5 16.791 8.592 2.231
40 HA VAL 5 HA VAL 5 16.837 8.538 5.002
41 HB VAL 5 HB VAL 5 18.003 10.745 4.907
42 HG11 VAL 5 HG11 VAL 5 19.931 9.928 3.634
43 HG12 VAL 5 HG12 VAL 5 19.232 8.655 4.648
44 HG13 VAL 5 HG13 VAL 5 18.931 8.658 2.900
45 HG21 VAL 5 HG21 VAL 5 18.543 11.762 2.760
46 HG22 VAL 5 HG22 VAL 5 17.525 10.598 1.899
47 HG23 VAL 5 HG23 VAL 5 16.794 11.785 3.003
48 H ALA 6 H ALA 6 14.495 10.346 3.144
49 HA ALA 6 HA ALA 6 13.475 11.653 5.630
50 HB1 ALA 6 HB1 ALA 6 12.146 13.028 4.086
51 HB2 ALA 6 HB2 ALA 6 13.877 13.122 3.711
52 HB3 ALA 6 HB3 ALA 6 12.801 12.130 2.700
53 H LEU 7 H LEU 7 12.329 9.548 2.925
54 HA LEU 7 HA LEU 7 9.678 9.274 3.807
55 HB2 LEU 7 HB2 LEU 7 11.070 8.354 1.649
56 HB3 LEU 7 HB3 LEU 7 11.129 7.029 2.384
57 HG LEU 7 HG LEU 7 8.488 8.452 1.781
58 HD11 LEU 7 HD11 LEU 7 9.694 7.650 -0.222
59 HD12 LEU 7 HD12 LEU 7 8.213 6.727 0.055
60 HD13 LEU 7 HD13 LEU 7 9.788 6.019 0.485
61 HD21 LEU 7 HD21 LEU 7 7.442 6.209 2.228
62 HD22 LEU 7 HD22 LEU 7 8.062 7.002 3.667
63 HD23 LEU 7 HD23 LEU 7 8.989 5.669 2.922
64 H THR 8 H THR 8 12.508 7.193 4.599
65 HA THR 8 HA THR 8 11.052 5.412 6.322
66 HB THR 8 HB THR 8 14.035 5.971 6.236
67 HG1 THR 8 HG1 THR 8 14.039 4.295 4.738
68 HG21 THR 8 HG21 THR 8 12.463 3.509 7.129
69 HG22 THR 8 HG22 THR 8 13.532 4.510 8.138
70 HG23 THR 8 HG23 THR 8 14.215 3.535 6.841
71 H ALA 9 H ALA 9 11.978 8.662 6.896
72 HA ALA 9 HA ALA 9 12.190 8.237 9.855
73 HB1 ALA 9 HB1 ALA 9 13.714 10.163 9.831
74 HB2 ALA 9 HB2 ALA 9 14.298 8.851 8.788
75 HB3 ALA 9 HB3 ALA 9 13.548 10.288 8.065
76 H VAL 10 H VAL 10 11.517 11.135 7.773
77 HA VAL 10 HA VAL 10 9.686 12.167 9.822
78 HB VAL 10 HB VAL 10 9.337 14.073 8.276
79 HG11 VAL 10 HG11 VAL 10 11.055 14.112 10.030
80 HG12 VAL 10 HG12 VAL 10 12.244 13.420 8.904
81 HG13 VAL 10 HG13 VAL 10 11.559 15.033 8.606
82 HG21 VAL 10 HG21 VAL 10 9.837 12.878 6.108
83 HG22 VAL 10 HG22 VAL 10 10.703 14.406 6.331
84 HG23 VAL 10 HG23 VAL 10 11.554 12.874 6.576
85 H NLE 11 H NLE 11 9.287 10.136 7.108
86 HA NLE 11 HA NLE 11 6.314 10.321 7.431
87 HB2 NLE 11 HB2 NLE 11 7.883 9.325 5.036
88 HB3 NLE 11 HB3 NLE 11 6.134 9.268 5.217
89 HG2 NLE 11 HG2 NLE 11 5.982 11.695 5.245
90 HG3 NLE 11 HG3 NLE 11 7.744 11.846 5.210
91 HD2 NLE 11 HD2 NLE 11 6.812 12.263 3.002
92 HD3 NLE 11 HD3 NLE 11 7.846 10.834 2.984
93 HE1 NLE 11 HE1 NLE 11 5.892 9.358 2.916
94 HE2 NLE 11 HE2 NLE 11 4.797 10.748 3.133
95 HE3 NLE 11 HE3 NLE 11 5.747 10.578 1.643
96 H VAL 12 H VAL 12 8.601 8.734 8.856
97 HA VAL 12 HA VAL 12 9.065 6.624 9.615
98 HB VAL 12 HB VAL 12 7.281 5.808 11.072
99 HG11 VAL 12 HG11 VAL 12 8.710 7.702 11.733
100 HG12 VAL 12 HG12 VAL 12 7.507 8.838 11.083
101 HG13 VAL 12 HG13 VAL 12 7.094 7.785 12.450
102 HG21 VAL 12 HG21 VAL 12 5.495 7.972 9.877
103 HG22 VAL 12 HG22 VAL 12 5.291 6.230 9.600
104 HG23 VAL 12 HG23 VAL 12 5.121 6.893 11.232
105 H ALA 13 H ALA 13 8.773 6.274 6.863
106 HA ALA 13 HA ALA 13 8.504 4.759 5.248
107 HB1 ALA 13 HB1 ALA 13 10.011 3.458 6.733
108 HB2 ALA 13 HB2 ALA 13 8.594 2.667 7.450
109 HB3 ALA 13 HB3 ALA 13 8.971 2.434 5.733
110 H VAL 14 H VAL 14 6.088 5.957 6.134
111 HA VAL 14 HA VAL 14 3.862 4.440 6.513
112 HB VAL 14 HB VAL 14 3.914 6.863 6.432
113 HG11 VAL 14 HG11 VAL 14 3.721 6.650 3.397
114 HG12 VAL 14 HG12 VAL 14 3.674 8.125 4.380
115 HG13 VAL 14 HG13 VAL 14 5.166 7.181 4.290
116 HG21 VAL 14 HG21 VAL 14 1.685 7.237 5.623
117 HG22 VAL 14 HG22 VAL 14 1.725 5.758 4.646
118 HG23 VAL 14 HG23 VAL 14 1.764 5.659 6.421
119 H ALA 15 H ALA 15 5.577 4.576 3.440
120 HA ALA 15 HA ALA 15 3.712 3.426 1.694
121 HB1 ALA 15 HB1 ALA 15 6.739 3.081 1.800
122 HB2 ALA 15 HB2 ALA 15 5.700 2.762 0.394
123 HB3 ALA 15 HB3 ALA 15 5.856 4.414 1.018
124 H LEU 16 H LEU 16 5.588 1.768 4.235
125 HA LEU 16 HA LEU 16 5.167 -0.939 3.384
126 HB2 LEU 16 HB2 LEU 16 6.703 -0.125 5.253
127 HB3 LEU 16 HB3 LEU 16 5.511 0.334 6.133
128 HG LEU 16 HG LEU 16 4.619 -1.959 6.429
129 HD11 LEU 16 HD11 LEU 16 7.064 -2.812 4.815
130 HD12 LEU 16 HD12 LEU 16 5.362 -3.032 4.341
131 HD13 LEU 16 HD13 LEU 16 6.004 -3.900 5.738
132 HD21 LEU 16 HD21 LEU 16 6.248 -1.031 8.016
133 HD22 LEU 16 HD22 LEU 16 7.585 -1.686 7.045
134 HD23 LEU 16 HD23 LEU 16 6.438 -2.784 7.848
135 H TYR 17 H TYR 17 3.211 1.240 5.429
136 HA TYR 17 HA TYR 17 1.187 -0.790 5.983
137 HB2 TYR 17 HB2 TYR 17 0.907 2.112 6.635
138 HB3 TYR 17 HB3 TYR 17 0.104 0.960 7.258
139 HD1 TYR 17 HD1 TYR 17 1.064 -0.649 8.934
140 HD2 TYR 17 HD2 TYR 17 3.412 2.541 7.244
141 HE1 TYR 17 HE1 TYR 17 2.802 -0.976 10.701
142 HE2 TYR 17 HE2 TYR 17 5.136 2.231 9.005
143 HH TYR 17 HH TYR 17 5.761 1.043 10.860
144 H ALA 18 H ALA 18 1.523 1.953 3.734
145 HA ALA 18 HA ALA 18 -1.094 1.785 2.559
146 HB1 ALA 18 HB1 ALA 18 -0.049 2.962 0.675
147 HB2 ALA 18 HB2 ALA 18 0.475 3.674 2.214
148 HB3 ALA 18 HB3 ALA 18 1.568 2.603 1.308
149 H TYR 19 H TYR 19 2.023 0.199 1.540
150 HA TYR 19 HA TYR 19 0.920 -1.548 -0.408
151 HB2 TYR 19 HB2 TYR 19 3.400 -1.147 0.180
152 HB3 TYR 19 HB3 TYR 19 3.277 -1.958 1.475
153 HD1 TYR 19 HD1 TYR 19 3.144 -4.423 1.548
154 HD2 TYR 19 HD2 TYR 19 3.254 -2.280 -2.201
155 HE1 TYR 19 HE1 TYR 19 3.690 -6.543 0.344
156 HE2 TYR 19 HE2 TYR 19 3.804 -4.394 -3.394
157 HH TYR 19 HH TYR 19 4.208 -6.636 -3.201
158 H GLY 20 H GLY 20 1.213 -1.960 3.126
159 HA2 GLY 20 HA2 GLY 20 0.177 -4.531 3.448
160 HA3 GLY 20 HA3 GLY 20 0.092 -3.221 4.629
161 H LEU 21 H LEU 21 -1.690 -2.035 2.112
162 HA LEU 21 HA LEU 21 -4.068 -3.738 2.478
163 HB2 LEU 21 HB2 LEU 21 -5.456 -2.014 3.300
164 HB3 LEU 21 HB3 LEU 21 -4.190 -2.005 4.204
165 HG LEU 21 HG LEU 21 -3.295 -0.086 2.530
166 HD11 LEU 21 HD11 LEU 21 -5.296 -0.192 1.015
167 HD12 LEU 21 HD12 LEU 21 -5.148 1.370 1.822
168 HD13 LEU 21 HD13 LEU 21 -6.336 0.185 2.401
169 HD21 LEU 21 HD21 LEU 21 -5.383 0.330 4.706
170 HD22 LEU 21 HD22 LEU 21 -4.275 1.571 4.074
171 HD23 LEU 21 HD23 LEU 21 -3.625 0.172 4.940
172 H ABA 22 H ABU 22 -2.383 -1.343 0.489
173 HA ABA 22 HA ABU 22 -4.270 -1.579 -1.734
174 HB3 ABA 22 HB3 ABU 22 -2.501 -0.343 -2.973
175 HB2 ABA 22 HB2 ABU 22 -1.445 -0.446 -1.560
176 HG1 ABA 22 HG1 ABU 22 -4.169 0.939 -1.666
177 HG3 ABA 22 HG3 ABU 22 -2.590 1.747 -1.704
178 HG2 ABA 22 HG2 ABU 22 -3.106 0.887 -0.244
179 H PHE 23 H PHE 23 -1.665 -3.516 -0.555
180 HA PHE 23 HA PHE 23 -1.762 -5.244 -2.997
181 HB2 PHE 23 HB2 PHE 23 0.595 -3.992 -1.769
182 HB3 PHE 23 HB3 PHE 23 0.787 -5.521 -1.779
183 HD1 PHE 23 HD1 PHE 23 1.033 -6.875 -3.804
184 HD2 PHE 23 HD2 PHE 23 0.286 -2.632 -4.021
185 HE1 PHE 23 HE1 PHE 23 1.746 -6.872 -6.184
186 HE2 PHE 23 HE2 PHE 23 1.003 -2.630 -6.405
187 HZ PHE 23 HZ PHE 23 1.735 -4.750 -7.484
188 H ARG 24 H ARG 24 -0.955 -5.121 0.480
189 HA ARG 24 HA ARG 24 -0.889 -6.712 2.111
190 HB2 ARG 24 HB2 ARG 24 -3.141 -7.508 2.617
191 HB3 ARG 24 HB3 ARG 24 -3.037 -5.936 2.364
192 HG2 ARG 24 HG2 ARG 24 -4.980 -6.448 1.191
193 HG3 ARG 24 HG3 ARG 24 -4.002 -6.147 0.084
194 HD2 ARG 24 HD2 ARG 24 -3.670 -8.773 -0.182
195 HD3 ARG 24 HD3 ARG 24 -4.666 -8.987 0.971
196 HE ARG 24 HE ARG 24 -6.517 -8.264 -0.315
197 HH11 ARG 24 HH11 ARG 24 -3.595 -7.741 -2.218
198 HH12 ARG 24 HH12 ARG 24 -4.528 -7.488 -3.673
199 HH21 ARG 24 HH21 ARG 24 -7.577 -7.791 -2.082
200 HH22 ARG 24 HH22 ARG 24 -6.754 -7.529 -3.616
201 H LEU 25 H LEU 25 0.497 -7.704 -0.026
202 HA LEU 25 HA LEU 25 -0.284 -10.303 -0.837
203 HB2 LEU 25 HB2 LEU 25 1.363 -8.611 -1.926
204 HB3 LEU 25 HB3 LEU 25 2.452 -8.957 -0.889
205 HG LEU 25 HG LEU 25 2.598 -11.338 -1.617
206 HD11 LEU 25 HD11 LEU 25 0.313 -11.733 -2.436
207 HD12 LEU 25 HD12 LEU 25 1.469 -12.007 -3.741
208 HD13 LEU 25 HD13 LEU 25 0.527 -10.498 -3.699
209 HD21 LEU 25 HD21 LEU 25 3.603 -10.892 -3.813
210 HD22 LEU 25 HD22 LEU 25 4.027 -9.628 -2.647
211 HD23 LEU 25 HD23 LEU 25 2.786 -9.312 -3.880
212 H NLE 26 H NLE 26 1.777 -9.299 1.850
213 HA NLE 26 HA NLE 26 1.936 -12.015 2.944
214 HB2 NLE 26 HB2 NLE 26 4.357 -12.100 3.003
215 HB3 NLE 26 HB3 NLE 26 3.822 -11.921 1.337
216 HG2 NLE 26 HG2 NLE 26 4.308 -9.423 1.528
217 HG3 NLE 26 HG3 NLE 26 5.008 -9.753 3.124
218 HD2 NLE 26 HD2 NLE 26 6.624 -11.341 2.049
219 HD3 NLE 26 HD3 NLE 26 5.943 -10.919 0.466
220 HE1 NLE 26 HE1 NLE 26 7.991 -9.628 0.885
221 HE2 NLE 26 HE2 NLE 26 6.592 -8.536 0.836
222 HE3 NLE 26 HE3 NLE 26 7.312 -8.993 2.397
223 H GLY 27 H GLY 27 2.801 -12.038 5.152
224 HA2 GLY 27 HA2 GLY 27 3.345 -9.577 6.589
225 HA3 GLY 27 HA3 GLY 27 1.662 -10.037 6.732
226 H ALA 28 H ALA 28 4.460 -12.292 6.722
227 HA ALA 28 HA ALA 28 3.787 -13.524 9.226
228 HB1 ALA 28 HB1 ALA 28 5.188 -14.592 7.501
229 HB2 ALA 28 HB2 ALA 28 6.452 -13.363 7.754
230 HB3 ALA 28 HB3 ALA 28 6.041 -14.502 9.053
231 H SER 29 H SER 29 5.472 -10.566 8.490
232 HA SER 29 HA SER 29 5.777 -9.906 11.376
233 HB2 SER 29 HB2 SER 29 8.069 -9.360 9.477
234 HB3 SER 29 HB3 SER 29 8.030 -9.022 10.985
235 HG SER 29 HG SER 29 7.890 -11.265 11.499
236 H GLY 30 H GLY 30 3.793 -9.014 9.268
237 HA2 GLY 30 HA2 GLY 30 4.009 -6.140 9.595
238 HA3 GLY 30 HA3 GLY 30 4.454 -6.642 7.966
239 HA PRO 31 HA PRO 31 -0.146 -5.764 8.654
240 HB2 PRO 31 HB2 PRO 31 -0.514 -3.549 7.191
241 HB3 PRO 31 HB3 PRO 31 0.099 -3.488 8.581
242 HG2 PRO 31 HG2 PRO 31 1.854 -3.261 6.182
243 HG3 PRO 31 HG3 PRO 31 1.908 -2.470 7.403
244 HD2 PRO 31 HD2 PRO 31 3.574 -4.568 7.584
245 HD3 PRO 31 HD3 PRO 31 2.879 -4.062 8.845
246 H ASN 32 H ASN 32 -1.565 -7.033 7.663
247 HA ASN 32 HA ASN 32 -1.621 -7.385 4.726
248 HB2 ASN 32 HB2 ASN 32 -0.945 -9.682 4.827
249 HB3 ASN 32 HB3 ASN 32 0.121 -8.941 5.618
250 HD21 ASN 32 HD21 ASN 32 0.142 -9.021 8.076
251 HD22 ASN 32 HD22 ASN 32 -0.674 -10.379 8.823
252 H LYS 33 H LYS 33 -3.511 -6.702 7.210
253 HA LYS 33 HA LYS 33 -5.725 -8.641 6.598
254 HB2 LYS 33 HB2 LYS 33 -5.187 -7.380 9.262
255 HB3 LYS 33 HB3 LYS 33 -6.366 -8.342 9.000
256 HG2 LYS 33 HG2 LYS 33 -3.527 -9.308 8.932
257 HG3 LYS 33 HG3 LYS 33 -4.531 -9.529 10.092
258 HD2 LYS 33 HD2 LYS 33 -6.069 -10.774 8.314
259 HD3 LYS 33 HD3 LYS 33 -4.958 -10.657 7.291
260 HE2 LYS 33 HE2 LYS 33 -3.322 -11.876 8.939
261 HE3 LYS 33 HE3 LYS 33 -4.421 -11.946 10.003
262 HZ1 LYS 33 HZ1 LYS 33 -4.333 -13.987 8.689
263 HZ2 LYS 33 HZ2 LYS 33 -4.742 -13.192 7.324
264 HZ3 LYS 33 HZ3 LYS 33 -5.817 -13.322 8.552
265 H LYS 34 H LYS 34 -5.195 -5.917 5.441
266 HA LYS 34 HA LYS 34 -7.961 -4.839 5.732
267 HB2 LYS 34 HB2 LYS 34 -5.572 -3.002 5.730
268 HB3 LYS 34 HB3 LYS 34 -7.028 -2.518 5.658
269 HG2 LYS 34 HG2 LYS 34 -7.428 -3.721 7.975
270 HG3 LYS 34 HG3 LYS 34 -5.944 -4.062 8.051
271 HD2 LYS 34 HD2 LYS 34 -5.418 -1.499 7.720
272 HD3 LYS 34 HD3 LYS 34 -6.894 -1.171 7.787
273 HE2 LYS 34 HE2 LYS 34 -5.496 -2.455 10.156
274 HE3 LYS 34 HE3 LYS 34 -5.756 -0.939 10.014
275 HZ1 LYS 34 HZ1 LYS 34 -7.953 -2.938 10.059
276 HZ2 LYS 34 HZ2 LYS 34 -8.167 -1.316 9.975
277 HZ3 LYS 34 HZ3 LYS 34 -7.501 -1.988 11.302
278 H GLU 35 H GLU 35 -8.498 -3.361 3.944
279 HA GLU 35 HA GLU 35 -7.002 -3.681 1.417
280 HB2 GLU 35 HB2 GLU 35 -9.842 -4.630 1.704
281 HB3 GLU 35 HB3 GLU 35 -9.370 -4.114 0.339
282 HG2 GLU 35 HG2 GLU 35 -7.374 -5.769 0.452
283 HG3 GLU 35 HG3 GLU 35 -7.894 -6.365 1.750
284 H SER 36 H SER 36 -7.871 -2.239 -0.296
285 HA SER 36 HA SER 36 -8.293 0.454 0.612
286 HB2 SER 36 HB2 SER 36 -8.761 -0.518 -2.218
287 HB3 SER 36 HB3 SER 36 -8.684 0.966 -1.767
288 HG SER 36 HG SER 36 -6.595 -0.956 -1.572
289 H ARG 37 H ARG 37 -10.091 1.764 0.607
290 HA ARG 37 HA ARG 37 -12.815 0.654 0.089
291 HB2 ARG 37 HB2 ARG 37 -12.222 2.120 2.637
292 HB3 ARG 37 HB3 ARG 37 -13.609 1.555 2.261
293 HG2 ARG 37 HG2 ARG 37 -11.311 -0.224 2.991
294 HG3 ARG 37 HG3 ARG 37 -12.501 0.117 3.916
295 HD2 ARG 37 HD2 ARG 37 -14.110 -1.075 2.302
296 HD3 ARG 37 HD3 ARG 37 -13.020 -1.234 1.245
297 HE ARG 37 HE ARG 37 -12.178 -2.413 3.794
298 HH11 ARG 37 HH11 ARG 37 -13.842 -3.092 0.784
299 HH12 ARG 37 HH12 ARG 37 -13.566 -4.809 0.917
300 HH21 ARG 37 HH21 ARG 37 -11.889 -4.620 3.903
301 HH22 ARG 37 HH22 ARG 37 -12.452 -5.631 2.607
302 H GLY 38 H GLY 38 -14.492 2.447 0.363
303 HA2 GLY 38 HA2 GLY 38 -13.713 5.201 -0.101
304 HA3 GLY 38 HA3 GLY 38 -14.230 4.403 -1.588
305 H ARG 39 H ARG 39 -15.673 6.441 -1.057
306 HA ARG 39 HA ARG 39 -18.234 5.580 0.258
307 HB2 ARG 39 HB2 ARG 39 -16.921 8.263 0.662
308 HB3 ARG 39 HB3 ARG 39 -18.361 7.968 1.129
309 HG2 ARG 39 HG2 ARG 39 -17.453 5.986 2.553
310 HG3 ARG 39 HG3 ARG 39 -16.024 6.326 2.180
311 HD2 ARG 39 HD2 ARG 39 -16.258 8.687 3.180
312 HD3 ARG 39 HD3 ARG 39 -17.770 8.498 3.404
313 HE ARG 39 HE ARG 39 -16.739 6.306 4.778
314 HH11 ARG 39 HH11 ARG 39 -16.245 9.770 5.014
315 HH12 ARG 39 HH12 ARG 39 -15.934 9.700 6.728
316 HH21 ARG 39 HH21 ARG 39 -16.357 6.293 6.966
317 HH22 ARG 39 HH22 ARG 39 -16.001 7.778 7.799
318 H GLY 40 H GLY 40 -17.419 5.767 -2.632
319 HA2 GLY 40 HA2 GLY 40 -19.920 6.602 -3.664
320 HA3 GLY 40 HA3 GLY 40 -18.791 7.936 -3.915
321 HN1 NH2 41 H1 NHE 41 -16.494 5.880 -4.384
322 HN2 NH2 41 H2 NHE 41 -16.814 5.307 -6.006
Start of MODEL 10
1 H1 VAL 1 H1 VAL 1 18.336 8.687 -6.795
2 H2 VAL 1 H2 VAL 1 17.364 9.935 -6.399
3 H3 VAL 1 H3 VAL 1 16.781 8.721 -7.324
4 HA VAL 1 HA VAL 1 15.956 8.550 -5.061
5 HB VAL 1 HB VAL 1 16.700 6.233 -4.514
6 HG11 VAL 1 HG11 VAL 1 14.792 6.692 -6.007
7 HG12 VAL 1 HG12 VAL 1 15.879 6.630 -7.416
8 HG13 VAL 1 HG13 VAL 1 15.633 5.191 -6.414
9 HG21 VAL 1 HG21 VAL 1 19.037 6.311 -5.413
10 HG22 VAL 1 HG22 VAL 1 18.084 4.959 -6.031
11 HG23 VAL 1 HG23 VAL 1 18.371 6.364 -7.065
12 H VAL 2 H VAL 2 16.370 8.086 -2.832
13 HA VAL 2 HA VAL 2 19.051 8.951 -1.806
14 HB VAL 2 HB VAL 2 17.948 10.333 -0.120
15 HG11 VAL 2 HG11 VAL 2 18.668 11.348 -2.263
16 HG12 VAL 2 HG12 VAL 2 17.016 11.147 -2.895
17 HG13 VAL 2 HG13 VAL 2 17.314 12.197 -1.499
18 HG21 VAL 2 HG21 VAL 2 15.734 9.210 0.028
19 HG22 VAL 2 HG22 VAL 2 15.580 10.943 -0.264
20 HG23 VAL 2 HG23 VAL 2 15.325 9.804 -1.598
21 H PHE 3 H PHE 3 17.753 6.259 -2.027
22 HA PHE 3 HA PHE 3 16.988 4.488 -0.885
23 HB2 PHE 3 HB2 PHE 3 19.494 4.667 -0.280
24 HB3 PHE 3 HB3 PHE 3 19.138 5.287 1.090
25 HD1 PHE 3 HD1 PHE 3 20.074 3.651 2.523
26 HD2 PHE 3 HD2 PHE 3 17.206 2.403 -0.455
27 HE1 PHE 3 HE1 PHE 3 19.989 1.388 3.537
28 HE2 PHE 3 HE2 PHE 3 17.109 0.166 0.580
29 HZ PHE 3 HZ PHE 3 18.500 -0.356 2.573
30 H TYR 4 H TYR 4 15.374 6.628 -0.493
31 HA TYR 4 HA TYR 4 13.589 7.397 0.625
32 HB2 TYR 4 HB2 TYR 4 13.304 4.645 1.738
33 HB3 TYR 4 HB3 TYR 4 12.157 5.637 1.497
34 HD1 TYR 4 HD1 TYR 4 11.558 6.508 -0.853
35 HD2 TYR 4 HD2 TYR 4 14.232 3.190 -0.160
36 HE1 TYR 4 HE1 TYR 4 11.285 5.785 -3.225
37 HE2 TYR 4 HE2 TYR 4 13.958 2.474 -2.528
38 HH TYR 4 HH TYR 4 12.969 2.910 -4.549
39 H VAL 5 H VAL 5 16.107 7.793 2.254
40 HA VAL 5 HA VAL 5 15.636 7.479 4.989
41 HB VAL 5 HB VAL 5 17.151 9.396 5.375
42 HG11 VAL 5 HG11 VAL 5 19.121 8.380 4.350
43 HG12 VAL 5 HG12 VAL 5 18.027 7.142 4.985
44 HG13 VAL 5 HG13 VAL 5 18.100 7.450 3.239
45 HG21 VAL 5 HG21 VAL 5 18.284 10.488 3.474
46 HG22 VAL 5 HG22 VAL 5 17.162 9.720 2.340
47 HG23 VAL 5 HG23 VAL 5 16.575 10.908 3.524
48 H ALA 6 H ALA 6 14.322 10.095 2.959
49 HA ALA 6 HA ALA 6 13.164 11.556 5.182
50 HB1 ALA 6 HB1 ALA 6 11.979 12.781 3.390
51 HB2 ALA 6 HB2 ALA 6 13.709 12.628 3.036
52 HB3 ALA 6 HB3 ALA 6 12.534 11.592 2.192
53 H LEU 7 H LEU 7 11.752 9.301 2.749
54 HA LEU 7 HA LEU 7 9.101 9.315 3.690
55 HB2 LEU 7 HB2 LEU 7 10.377 8.107 1.626
56 HB3 LEU 7 HB3 LEU 7 10.437 6.863 2.502
57 HG LEU 7 HG LEU 7 7.802 8.247 1.818
58 HD11 LEU 7 HD11 LEU 7 8.955 7.237 -0.124
59 HD12 LEU 7 HD12 LEU 7 7.476 6.356 0.279
60 HD13 LEU 7 HD13 LEU 7 9.058 5.686 0.741
61 HD21 LEU 7 HD21 LEU 7 6.742 6.097 2.513
62 HD22 LEU 7 HD22 LEU 7 7.438 6.983 3.858
63 HD23 LEU 7 HD23 LEU 7 8.304 5.570 3.188
64 H THR 8 H THR 8 11.829 7.244 4.635
65 HA THR 8 HA THR 8 10.427 5.595 6.504
66 HB THR 8 HB THR 8 13.411 6.178 6.474
67 HG1 THR 8 HG1 THR 8 12.884 5.574 4.441
68 HG21 THR 8 HG21 THR 8 13.560 3.747 7.104
69 HG22 THR 8 HG22 THR 8 11.796 3.722 7.313
70 HG23 THR 8 HG23 THR 8 12.817 4.734 8.362
71 H ALA 9 H ALA 9 11.308 8.896 6.877
72 HA ALA 9 HA ALA 9 11.205 8.677 9.869
73 HB1 ALA 9 HB1 ALA 9 12.846 10.500 9.930
74 HB2 ALA 9 HB2 ALA 9 13.479 9.084 9.070
75 HB3 ALA 9 HB3 ALA 9 12.934 10.504 8.155
76 H VAL 10 H VAL 10 10.946 11.361 7.424
77 HA VAL 10 HA VAL 10 9.063 12.757 9.181
78 HB VAL 10 HB VAL 10 8.958 14.483 7.427
79 HG11 VAL 10 HG11 VAL 10 10.624 14.581 9.241
80 HG12 VAL 10 HG12 VAL 10 11.783 13.682 8.238
81 HG13 VAL 10 HG13 VAL 10 11.241 15.300 7.745
82 HG21 VAL 10 HG21 VAL 10 9.448 12.998 5.426
83 HG22 VAL 10 HG22 VAL 10 10.383 14.498 5.511
84 HG23 VAL 10 HG23 VAL 10 11.145 12.968 5.961
85 H NLE 11 H NLE 11 8.649 10.370 6.817
86 HA NLE 11 HA NLE 11 5.695 10.785 6.981
87 HB2 NLE 11 HB2 NLE 11 7.163 9.491 4.661
88 HB3 NLE 11 HB3 NLE 11 5.421 9.682 4.844
89 HG2 NLE 11 HG2 NLE 11 5.654 12.145 4.782
90 HG3 NLE 11 HG3 NLE 11 7.405 11.979 4.608
91 HD2 NLE 11 HD2 NLE 11 6.467 12.438 2.453
92 HD3 NLE 11 HD3 NLE 11 7.100 10.790 2.456
93 HE1 NLE 11 HE1 NLE 11 4.825 9.879 2.635
94 HE2 NLE 11 HE2 NLE 11 4.155 11.519 2.822
95 HE3 NLE 11 HE3 NLE 11 4.897 11.022 1.287
96 H VAL 12 H VAL 12 7.710 9.314 8.675
97 HA VAL 12 HA VAL 12 8.037 7.306 9.718
98 HB VAL 12 HB VAL 12 6.061 6.676 11.017
99 HG11 VAL 12 HG11 VAL 12 7.442 8.625 11.630
100 HG12 VAL 12 HG12 VAL 12 6.360 9.684 10.700
101 HG13 VAL 12 HG13 VAL 12 5.750 8.808 12.118
102 HG21 VAL 12 HG21 VAL 12 3.922 7.791 10.766
103 HG22 VAL 12 HG22 VAL 12 4.495 8.704 9.359
104 HG23 VAL 12 HG23 VAL 12 4.286 6.945 9.255
105 H ALA 13 H ALA 13 8.115 6.644 7.029
106 HA ALA 13 HA ALA 13 8.135 4.915 5.618
107 HB1 ALA 13 HB1 ALA 13 9.315 3.848 7.541
108 HB2 ALA 13 HB2 ALA 13 7.777 3.118 8.042
109 HB3 ALA 13 HB3 ALA 13 8.493 2.691 6.478
110 H VAL 14 H VAL 14 5.561 6.186 6.044
111 HA VAL 14 HA VAL 14 3.329 4.621 6.183
112 HB VAL 14 HB VAL 14 3.334 7.040 5.989
113 HG11 VAL 14 HG11 VAL 14 3.655 6.675 2.978
114 HG12 VAL 14 HG12 VAL 14 3.371 8.191 3.848
115 HG13 VAL 14 HG13 VAL 14 4.897 7.328 4.070
116 HG21 VAL 14 HG21 VAL 14 1.253 7.317 4.823
117 HG22 VAL 14 HG22 VAL 14 1.486 5.808 3.924
118 HG23 VAL 14 HG23 VAL 14 1.237 5.768 5.684
119 H ALA 15 H ALA 15 5.478 4.619 3.373
120 HA ALA 15 HA ALA 15 3.816 3.364 1.475
121 HB1 ALA 15 HB1 ALA 15 6.822 3.105 1.919
122 HB2 ALA 15 HB2 ALA 15 5.949 2.650 0.440
123 HB3 ALA 15 HB3 ALA 15 5.990 4.346 0.947
124 H LEU 16 H LEU 16 5.546 1.845 4.221
125 HA LEU 16 HA LEU 16 5.117 -0.904 3.421
126 HB2 LEU 16 HB2 LEU 16 6.716 -0.091 5.227
127 HB3 LEU 16 HB3 LEU 16 5.567 0.448 6.118
128 HG LEU 16 HG LEU 16 4.601 -1.792 6.532
129 HD11 LEU 16 HD11 LEU 16 6.951 -2.805 4.871
130 HD12 LEU 16 HD12 LEU 16 5.225 -2.979 4.471
131 HD13 LEU 16 HD13 LEU 16 5.890 -3.813 5.879
132 HD21 LEU 16 HD21 LEU 16 6.435 -2.635 7.925
133 HD22 LEU 16 HD22 LEU 16 6.321 -0.870 8.028
134 HD23 LEU 16 HD23 LEU 16 7.596 -1.619 7.040
135 H TYR 17 H TYR 17 3.333 1.307 5.583
136 HA TYR 17 HA TYR 17 1.229 -0.532 6.245
137 HB2 TYR 17 HB2 TYR 17 1.090 2.452 6.509
138 HB3 TYR 17 HB3 TYR 17 0.148 1.457 7.209
139 HD1 TYR 17 HD1 TYR 17 0.830 -0.006 9.105
140 HD2 TYR 17 HD2 TYR 17 3.616 2.720 7.254
141 HE1 TYR 17 HE1 TYR 17 2.406 -0.298 11.017
142 HE2 TYR 17 HE2 TYR 17 5.173 2.440 9.160
143 HH TYR 17 HH TYR 17 5.557 1.405 11.171
144 H ALA 18 H ALA 18 1.525 1.988 3.734
145 HA ALA 18 HA ALA 18 -1.089 1.704 2.605
146 HB1 ALA 18 HB1 ALA 18 -0.071 2.801 0.648
147 HB2 ALA 18 HB2 ALA 18 0.419 3.606 2.151
148 HB3 ALA 18 HB3 ALA 18 1.552 2.524 1.311
149 H TYR 19 H TYR 19 2.047 0.117 1.594
150 HA TYR 19 HA TYR 19 0.925 -1.563 -0.380
151 HB2 TYR 19 HB2 TYR 19 3.433 -1.226 0.298
152 HB3 TYR 19 HB3 TYR 19 3.264 -2.201 1.458
153 HD1 TYR 19 HD1 TYR 19 3.034 -4.663 1.161
154 HD2 TYR 19 HD2 TYR 19 3.241 -1.995 -2.228
155 HE1 TYR 19 HE1 TYR 19 3.472 -6.601 -0.349
156 HE2 TYR 19 HE2 TYR 19 3.679 -3.930 -3.726
157 HH TYR 19 HH TYR 19 3.965 -6.192 -3.874
158 H GLY 20 H GLY 20 1.150 -2.092 3.137
159 HA2 GLY 20 HA2 GLY 20 0.110 -4.704 3.288
160 HA3 GLY 20 HA3 GLY 20 0.050 -3.483 4.558
161 H LEU 21 H LEU 21 -1.703 -2.122 2.093
162 HA LEU 21 HA LEU 21 -4.117 -3.788 2.319
163 HB2 LEU 21 HB2 LEU 21 -5.481 -2.086 3.288
164 HB3 LEU 21 HB3 LEU 21 -4.253 -2.340 4.234
165 HG LEU 21 HG LEU 21 -3.128 -0.242 3.012
166 HD11 LEU 21 HD11 LEU 21 -4.936 0.098 1.338
167 HD12 LEU 21 HD12 LEU 21 -4.828 1.461 2.449
168 HD13 LEU 21 HD13 LEU 21 -6.119 0.258 2.651
169 HD21 LEU 21 HD21 LEU 21 -5.386 -0.039 5.048
170 HD22 LEU 21 HD22 LEU 21 -4.141 1.197 4.743
171 HD23 LEU 21 HD23 LEU 21 -3.673 -0.377 5.396
172 H ABA 22 H ABU 22 -2.265 -1.502 0.490
173 HA ABA 22 HA ABU 22 -4.209 -1.392 -1.727
174 HB3 ABA 22 HB3 ABU 22 -2.338 -0.209 -2.880
175 HB2 ABA 22 HB2 ABU 22 -1.321 -0.452 -1.458
176 HG1 ABA 22 HG1 ABU 22 -3.939 1.129 -1.563
177 HG3 ABA 22 HG3 ABU 22 -2.305 1.814 -1.488
178 HG2 ABA 22 HG2 ABU 22 -2.947 0.911 -0.106
179 H PHE 23 H PHE 23 -1.663 -3.507 -0.663
180 HA PHE 23 HA PHE 23 -1.944 -5.150 -3.151
181 HB2 PHE 23 HB2 PHE 23 0.582 -4.233 -1.864
182 HB3 PHE 23 HB3 PHE 23 0.595 -5.719 -2.303
183 HD1 PHE 23 HD1 PHE 23 0.594 -6.505 -4.587
184 HD2 PHE 23 HD2 PHE 23 0.276 -2.301 -3.681
185 HE1 PHE 23 HE1 PHE 23 1.154 -5.957 -6.943
186 HE2 PHE 23 HE2 PHE 23 0.837 -1.754 -6.042
187 HZ PHE 23 HZ PHE 23 1.279 -3.580 -7.673
188 H ARG 24 H ARG 24 -0.945 -5.177 0.286
189 HA ARG 24 HA ARG 24 -0.696 -6.865 1.790
190 HB2 ARG 24 HB2 ARG 24 -2.843 -7.783 2.466
191 HB3 ARG 24 HB3 ARG 24 -2.833 -6.195 2.311
192 HG2 ARG 24 HG2 ARG 24 -4.872 -6.714 1.317
193 HG3 ARG 24 HG3 ARG 24 -4.027 -6.306 0.135
194 HD2 ARG 24 HD2 ARG 24 -3.604 -8.901 -0.305
195 HD3 ARG 24 HD3 ARG 24 -4.505 -9.216 0.905
196 HE ARG 24 HE ARG 24 -6.479 -8.379 -0.194
197 HH11 ARG 24 HH11 ARG 24 -3.716 -7.958 -2.345
198 HH12 ARG 24 HH12 ARG 24 -4.759 -7.918 -3.747
199 HH21 ARG 24 HH21 ARG 24 -7.653 -8.152 -1.873
200 HH22 ARG 24 HH22 ARG 24 -6.984 -8.005 -3.501
201 H LEU 25 H LEU 25 0.484 -7.618 -0.554
202 HA LEU 25 HA LEU 25 -0.217 -10.231 -1.434
203 HB2 LEU 25 HB2 LEU 25 1.241 -8.274 -2.516
204 HB3 LEU 25 HB3 LEU 25 2.459 -8.813 -1.742
205 HG LEU 25 HG LEU 25 2.295 -11.077 -2.859
206 HD11 LEU 25 HD11 LEU 25 -0.107 -11.131 -3.424
207 HD12 LEU 25 HD12 LEU 25 0.861 -11.246 -4.893
208 HD13 LEU 25 HD13 LEU 25 0.088 -9.704 -4.467
209 HD21 LEU 25 HD21 LEU 25 3.063 -10.291 -5.057
210 HD22 LEU 25 HD22 LEU 25 3.745 -9.305 -3.755
211 HD23 LEU 25 HD23 LEU 25 2.399 -8.675 -4.726
212 H NLE 26 H NLE 26 1.656 -9.252 1.271
213 HA NLE 26 HA NLE 26 2.238 -12.008 2.069
214 HB2 NLE 26 HB2 NLE 26 4.597 -11.596 2.522
215 HB3 NLE 26 HB3 NLE 26 4.248 -11.381 0.810
216 HG2 NLE 26 HG2 NLE 26 4.229 -8.888 1.143
217 HG3 NLE 26 HG3 NLE 26 4.579 -9.135 2.856
218 HD2 NLE 26 HD2 NLE 26 6.620 -8.550 1.777
219 HD3 NLE 26 HD3 NLE 26 6.732 -10.251 2.234
220 HE1 NLE 26 HE1 NLE 26 7.651 -9.784 -0.037
221 HE2 NLE 26 HE2 NLE 26 6.300 -10.926 -0.107
222 HE3 NLE 26 HE3 NLE 26 6.051 -9.222 -0.564
223 H GLY 27 H GLY 27 2.934 -12.088 4.372
224 HA2 GLY 27 HA2 GLY 27 2.143 -9.725 6.024
225 HA3 GLY 27 HA3 GLY 27 1.194 -11.211 6.113
226 H ALA 28 H ALA 28 4.389 -12.221 5.787
227 HA ALA 28 HA ALA 28 4.591 -13.007 8.554
228 HB1 ALA 28 HB1 ALA 28 5.463 -14.343 6.668
229 HB2 ALA 28 HB2 ALA 28 6.651 -13.067 6.307
230 HB3 ALA 28 HB3 ALA 28 6.740 -13.962 7.837
231 H SER 29 H SER 29 5.568 -10.107 6.941
232 HA SER 29 HA SER 29 7.209 -9.202 9.274
233 HB2 SER 29 HB2 SER 29 8.155 -8.751 6.439
234 HB3 SER 29 HB3 SER 29 8.890 -8.318 7.723
235 HG SER 29 HG SER 29 9.168 -10.496 8.356
236 H GLY 30 H GLY 30 4.384 -8.477 8.066
237 HA2 GLY 30 HA2 GLY 30 4.447 -5.709 8.734
238 HA3 GLY 30 HA3 GLY 30 4.483 -5.861 6.977
239 HA PRO 31 HA PRO 31 0.092 -5.884 8.769
240 HB2 PRO 31 HB2 PRO 31 -0.879 -3.598 7.719
241 HB3 PRO 31 HB3 PRO 31 -0.124 -3.634 9.035
242 HG2 PRO 31 HG2 PRO 31 1.231 -2.666 6.582
243 HG3 PRO 31 HG3 PRO 31 1.344 -2.140 7.942
244 HD2 PRO 31 HD2 PRO 31 3.327 -3.887 7.405
245 HD3 PRO 31 HD3 PRO 31 2.805 -3.752 8.832
246 H ASN 32 H ASN 32 -1.591 -6.855 7.791
247 HA ASN 32 HA ASN 32 -1.806 -7.132 4.851
248 HB2 ASN 32 HB2 ASN 32 -1.162 -9.479 4.901
249 HB3 ASN 32 HB3 ASN 32 -0.003 -8.687 5.495
250 HD21 ASN 32 HD21 ASN 32 0.582 -8.837 7.780
251 HD22 ASN 32 HD22 ASN 32 -0.146 -10.094 8.760
252 H LYS 33 H LYS 33 -3.494 -6.621 7.556
253 HA LYS 33 HA LYS 33 -5.713 -8.565 7.059
254 HB2 LYS 33 HB2 LYS 33 -5.222 -7.046 9.594
255 HB3 LYS 33 HB3 LYS 33 -6.326 -8.110 9.422
256 HG2 LYS 33 HG2 LYS 33 -3.420 -8.847 9.459
257 HG3 LYS 33 HG3 LYS 33 -4.433 -9.083 10.603
258 HD2 LYS 33 HD2 LYS 33 -5.802 -10.581 8.888
259 HD3 LYS 33 HD3 LYS 33 -4.695 -10.406 7.866
260 HE2 LYS 33 HE2 LYS 33 -2.973 -11.341 9.638
261 HE3 LYS 33 HE3 LYS 33 -4.107 -11.523 10.643
262 HZ1 LYS 33 HZ1 LYS 33 -3.712 -13.565 9.392
263 HZ2 LYS 33 HZ2 LYS 33 -4.115 -12.850 7.983
264 HZ3 LYS 33 HZ3 LYS 33 -5.250 -13.082 9.139
265 H LYS 34 H LYS 34 -5.211 -5.878 5.733
266 HA LYS 34 HA LYS 34 -7.994 -4.820 5.926
267 HB2 LYS 34 HB2 LYS 34 -5.594 -2.996 5.886
268 HB3 LYS 34 HB3 LYS 34 -7.043 -2.496 5.735
269 HG2 LYS 34 HG2 LYS 34 -7.545 -3.511 8.103
270 HG3 LYS 34 HG3 LYS 34 -6.090 -3.931 8.249
271 HD2 LYS 34 HD2 LYS 34 -5.384 -1.437 7.785
272 HD3 LYS 34 HD3 LYS 34 -6.830 -1.006 7.760
273 HE2 LYS 34 HE2 LYS 34 -5.650 -2.232 10.275
274 HE3 LYS 34 HE3 LYS 34 -5.750 -0.711 10.019
275 HZ1 LYS 34 HZ1 LYS 34 -8.141 -2.474 10.082
276 HZ2 LYS 34 HZ2 LYS 34 -8.180 -0.849 9.885
277 HZ3 LYS 34 HZ3 LYS 34 -7.648 -1.491 11.285
278 H GLU 35 H GLU 35 -8.558 -3.509 4.064
279 HA GLU 35 HA GLU 35 -6.937 -3.787 1.608
280 HB2 GLU 35 HB2 GLU 35 -9.806 -4.687 1.602
281 HB3 GLU 35 HB3 GLU 35 -8.991 -4.433 0.314
282 HG2 GLU 35 HG2 GLU 35 -7.254 -6.195 1.200
283 HG3 GLU 35 HG3 GLU 35 -8.172 -6.530 2.364
284 H SER 36 H SER 36 -7.581 -2.283 -0.039
285 HA SER 36 HA SER 36 -8.125 0.333 0.933
286 HB2 SER 36 HB2 SER 36 -8.208 -0.503 -1.981
287 HB3 SER 36 HB3 SER 36 -8.208 0.959 -1.477
288 HG SER 36 HG SER 36 -6.184 -0.905 -0.714
289 H ARG 37 H ARG 37 -9.821 1.746 0.693
290 HA ARG 37 HA ARG 37 -12.536 0.763 -0.093
291 HB2 ARG 37 HB2 ARG 37 -12.138 2.284 2.457
292 HB3 ARG 37 HB3 ARG 37 -13.486 1.721 1.973
293 HG2 ARG 37 HG2 ARG 37 -11.288 -0.051 2.977
294 HG3 ARG 37 HG3 ARG 37 -12.557 0.331 3.771
295 HD2 ARG 37 HD2 ARG 37 -14.019 -0.905 2.072
296 HD3 ARG 37 HD3 ARG 37 -12.850 -1.105 1.107
297 HE ARG 37 HE ARG 37 -11.948 -2.221 3.564
298 HH11 ARG 37 HH11 ARG 37 -14.278 -2.935 1.048
299 HH12 ARG 37 HH12 ARG 37 -14.205 -4.653 1.340
300 HH21 ARG 37 HH21 ARG 37 -11.941 -4.421 3.914
301 HH22 ARG 37 HH22 ARG 37 -12.891 -5.463 2.900
302 H GLY 38 H GLY 38 -14.134 2.687 0.061
303 HA2 GLY 38 HA2 GLY 38 -13.106 5.360 -0.444
304 HA3 GLY 38 HA3 GLY 38 -13.657 4.561 -1.918
305 H ARG 39 H ARG 39 -14.905 6.751 -1.455
306 HA ARG 39 HA ARG 39 -17.581 6.156 -0.224
307 HB2 ARG 39 HB2 ARG 39 -16.027 8.710 0.156
308 HB3 ARG 39 HB3 ARG 39 -17.510 8.588 0.555
309 HG2 ARG 39 HG2 ARG 39 -16.887 6.575 2.092
310 HG3 ARG 39 HG3 ARG 39 -15.420 6.746 1.781
311 HD2 ARG 39 HD2 ARG 39 -15.426 9.152 2.689
312 HD3 ARG 39 HD3 ARG 39 -16.961 9.160 2.807
313 HE ARG 39 HE ARG 39 -16.170 6.909 4.334
314 HH11 ARG 39 HH11 ARG 39 -15.730 10.381 4.494
315 HH12 ARG 39 HH12 ARG 39 -15.668 10.387 6.237
316 HH21 ARG 39 HH21 ARG 39 -16.100 6.988 6.557
317 HH22 ARG 39 HH22 ARG 39 -15.871 8.510 7.367
318 H GLY 40 H GLY 40 -16.558 6.289 -3.110
319 HA2 GLY 40 HA2 GLY 40 -18.945 7.150 -4.306
320 HA3 GLY 40 HA3 GLY 40 -17.849 8.530 -4.399
321 HN1 NH2 41 H1 NHE 41 -15.448 6.588 -4.773
322 HN2 NH2 41 H2 NHE 41 -15.608 6.084 -6.441
Start of MODEL 11
1 H1 VAL 1 H1 VAL 1 18.978 8.390 -7.815
2 H2 VAL 1 H2 VAL 1 18.144 9.739 -7.434
3 H3 VAL 1 H3 VAL 1 17.413 8.548 -8.281
4 HA VAL 1 HA VAL 1 16.674 8.543 -5.982
5 HB VAL 1 HB VAL 1 17.227 6.192 -5.363
6 HG11 VAL 1 HG11 VAL 1 15.307 6.751 -6.803
7 HG12 VAL 1 HG12 VAL 1 16.327 6.540 -8.250
8 HG13 VAL 1 HG13 VAL 1 16.002 5.169 -7.176
9 HG21 VAL 1 HG21 VAL 1 19.523 6.017 -6.348
10 HG22 VAL 1 HG22 VAL 1 18.427 4.735 -6.869
11 HG23 VAL 1 HG23 VAL 1 18.800 6.063 -7.975
12 H VAL 2 H VAL 2 17.113 8.240 -3.766
13 HA VAL 2 HA VAL 2 19.939 8.591 -2.850
14 HB VAL 2 HB VAL 2 19.188 10.193 -1.144
15 HG11 VAL 2 HG11 VAL 2 20.139 10.979 -3.289
16 HG12 VAL 2 HG12 VAL 2 18.494 11.150 -3.942
17 HG13 VAL 2 HG13 VAL 2 19.011 12.133 -2.560
18 HG21 VAL 2 HG21 VAL 2 16.767 9.605 -1.014
19 HG22 VAL 2 HG22 VAL 2 17.030 11.328 -1.298
20 HG23 VAL 2 HG23 VAL 2 16.524 10.286 -2.640
21 H PHE 3 H PHE 3 18.359 6.212 -3.040
22 HA PHE 3 HA PHE 3 17.460 4.469 -1.968
23 HB2 PHE 3 HB2 PHE 3 20.024 4.773 -1.040
24 HB3 PHE 3 HB3 PHE 3 19.372 4.861 0.315
25 HD1 PHE 3 HD1 PHE 3 18.672 2.864 1.522
26 HD2 PHE 3 HD2 PHE 3 19.330 2.687 -2.739
27 HE1 PHE 3 HE1 PHE 3 18.452 0.389 1.585
28 HE2 PHE 3 HE2 PHE 3 19.104 0.215 -2.671
29 HZ PHE 3 HZ PHE 3 18.665 -0.938 -0.510
30 H TYR 4 H TYR 4 16.016 6.825 -1.451
31 HA TYR 4 HA TYR 4 14.250 7.617 -0.309
32 HB2 TYR 4 HB2 TYR 4 13.650 4.811 0.484
33 HB3 TYR 4 HB3 TYR 4 12.619 5.934 0.268
34 HD1 TYR 4 HD1 TYR 4 12.247 7.034 -2.029
35 HD2 TYR 4 HD2 TYR 4 14.563 3.435 -1.471
36 HE1 TYR 4 HE1 TYR 4 12.035 6.514 -4.460
37 HE2 TYR 4 HE2 TYR 4 14.349 2.920 -3.897
38 HH TYR 4 HH TYR 4 13.497 3.582 -5.917
39 H VAL 5 H VAL 5 16.701 7.647 1.391
40 HA VAL 5 HA VAL 5 16.138 7.010 4.067
41 HB VAL 5 HB VAL 5 17.820 8.679 4.717
42 HG11 VAL 5 HG11 VAL 5 19.702 7.641 3.581
43 HG12 VAL 5 HG12 VAL 5 18.471 6.422 3.948
44 HG13 VAL 5 HG13 VAL 5 18.647 7.035 2.289
45 HG21 VAL 5 HG21 VAL 5 19.079 9.936 3.013
46 HG22 VAL 5 HG22 VAL 5 17.924 9.446 1.762
47 HG23 VAL 5 HG23 VAL 5 17.410 10.496 3.105
48 H ALA 6 H ALA 6 15.107 9.950 2.339
49 HA ALA 6 HA ALA 6 14.047 11.295 4.654
50 HB1 ALA 6 HB1 ALA 6 12.895 12.695 2.977
51 HB2 ALA 6 HB2 ALA 6 14.599 12.453 2.552
52 HB3 ALA 6 HB3 ALA 6 13.332 11.547 1.693
53 H LEU 7 H LEU 7 12.455 9.233 2.162
54 HA LEU 7 HA LEU 7 9.838 9.257 3.238
55 HB2 LEU 7 HB2 LEU 7 10.954 8.163 1.039
56 HB3 LEU 7 HB3 LEU 7 11.100 6.873 1.842
57 HG LEU 7 HG LEU 7 8.401 8.236 1.408
58 HD11 LEU 7 HD11 LEU 7 9.438 7.339 -0.650
59 HD12 LEU 7 HD12 LEU 7 8.010 6.403 -0.190
60 HD13 LEU 7 HD13 LEU 7 9.633 5.755 0.133
61 HD21 LEU 7 HD21 LEU 7 7.446 5.997 2.061
62 HD22 LEU 7 HD22 LEU 7 8.166 6.884 3.395
63 HD23 LEU 7 HD23 LEU 7 9.059 5.529 2.646
64 H THR 8 H THR 8 12.596 7.121 3.899
65 HA THR 8 HA THR 8 11.358 5.362 5.753
66 HB THR 8 HB THR 8 14.294 6.143 5.615
67 HG1 THR 8 HG1 THR 8 13.635 5.444 3.621
68 HG21 THR 8 HG21 THR 8 14.650 3.763 6.326
69 HG22 THR 8 HG22 THR 8 12.904 3.621 6.628
70 HG23 THR 8 HG23 THR 8 13.898 4.749 7.581
71 H ALA 9 H ALA 9 12.474 8.653 6.299
72 HA ALA 9 HA ALA 9 12.336 8.237 9.266
73 HB1 ALA 9 HB1 ALA 9 14.067 9.962 9.409
74 HB2 ALA 9 HB2 ALA 9 14.596 8.600 8.402
75 HB3 ALA 9 HB3 ALA 9 14.084 10.119 7.639
76 H VAL 10 H VAL 10 12.004 11.029 6.947
77 HA VAL 10 HA VAL 10 10.298 12.405 8.917
78 HB VAL 10 HB VAL 10 10.224 14.270 7.344
79 HG11 VAL 10 HG11 VAL 10 11.997 14.100 9.046
80 HG12 VAL 10 HG12 VAL 10 13.042 13.251 7.886
81 HG13 VAL 10 HG13 VAL 10 12.558 14.933 7.587
82 HG21 VAL 10 HG21 VAL 10 10.494 12.961 5.191
83 HG22 VAL 10 HG22 VAL 10 11.532 14.386 5.349
84 HG23 VAL 10 HG23 VAL 10 12.215 12.776 5.606
85 H NLE 11 H NLE 11 9.689 10.164 6.485
86 HA NLE 11 HA NLE 11 6.766 10.681 6.834
87 HB2 NLE 11 HB2 NLE 11 8.030 9.348 4.420
88 HB3 NLE 11 HB3 NLE 11 6.317 9.628 4.706
89 HG2 NLE 11 HG2 NLE 11 6.633 12.056 4.580
90 HG3 NLE 11 HG3 NLE 11 8.378 11.848 4.388
91 HD2 NLE 11 HD2 NLE 11 7.383 12.312 2.240
92 HD3 NLE 11 HD3 NLE 11 8.052 10.681 2.249
93 HE1 NLE 11 HE1 NLE 11 5.800 9.716 2.462
94 HE2 NLE 11 HE2 NLE 11 5.095 11.345 2.628
95 HE3 NLE 11 HE3 NLE 11 5.842 10.841 1.098
96 H VAL 12 H VAL 12 8.895 9.065 8.317
97 HA VAL 12 HA VAL 12 9.277 6.989 9.204
98 HB VAL 12 HB VAL 12 7.440 6.345 10.701
99 HG11 VAL 12 HG11 VAL 12 8.993 8.171 11.260
100 HG12 VAL 12 HG12 VAL 12 7.872 9.348 10.540
101 HG13 VAL 12 HG13 VAL 12 7.387 8.407 11.964
102 HG21 VAL 12 HG21 VAL 12 5.354 7.574 10.791
103 HG22 VAL 12 HG22 VAL 12 5.801 8.555 9.383
104 HG23 VAL 12 HG23 VAL 12 5.484 6.818 9.195
105 H ALA 13 H ALA 13 9.011 6.459 6.507
106 HA ALA 13 HA ALA 13 8.702 4.846 4.994
107 HB1 ALA 13 HB1 ALA 13 10.163 3.640 6.605
108 HB2 ALA 13 HB2 ALA 13 8.718 2.926 7.349
109 HB3 ALA 13 HB3 ALA 13 9.124 2.557 5.662
110 H VAL 14 H VAL 14 6.287 6.143 5.830
111 HA VAL 14 HA VAL 14 4.087 4.654 6.382
112 HB VAL 14 HB VAL 14 4.114 7.057 6.225
113 HG11 VAL 14 HG11 VAL 14 3.872 6.767 3.198
114 HG12 VAL 14 HG12 VAL 14 3.810 8.268 4.140
115 HG13 VAL 14 HG13 VAL 14 5.316 7.349 4.059
116 HG21 VAL 14 HG21 VAL 14 1.866 7.424 5.472
117 HG22 VAL 14 HG22 VAL 14 1.880 5.940 4.502
118 HG23 VAL 14 HG23 VAL 14 1.955 5.847 6.276
119 H ALA 15 H ALA 15 5.641 4.624 3.232
120 HA ALA 15 HA ALA 15 3.670 3.429 1.632
121 HB1 ALA 15 HB1 ALA 15 6.695 3.061 1.593
122 HB2 ALA 15 HB2 ALA 15 5.583 2.690 0.259
123 HB3 ALA 15 HB3 ALA 15 5.780 4.366 0.800
124 H LEU 16 H LEU 16 5.597 1.876 4.179
125 HA LEU 16 HA LEU 16 5.210 -0.864 3.453
126 HB2 LEU 16 HB2 LEU 16 6.731 0.061 5.281
127 HB3 LEU 16 HB3 LEU 16 5.531 0.540 6.142
128 HG LEU 16 HG LEU 16 4.686 -1.761 6.535
129 HD11 LEU 16 HD11 LEU 16 6.131 -3.695 5.942
130 HD12 LEU 16 HD12 LEU 16 7.160 -2.620 4.971
131 HD13 LEU 16 HD13 LEU 16 5.468 -2.910 4.506
132 HD21 LEU 16 HD21 LEU 16 6.520 -2.472 8.001
133 HD22 LEU 16 HD22 LEU 16 6.280 -0.720 8.089
134 HD23 LEU 16 HD23 LEU 16 7.641 -1.380 7.154
135 H TYR 17 H TYR 17 3.283 1.263 5.606
136 HA TYR 17 HA TYR 17 1.260 -0.733 6.139
137 HB2 TYR 17 HB2 TYR 17 0.810 2.170 6.638
138 HB3 TYR 17 HB3 TYR 17 0.152 0.995 7.372
139 HD1 TYR 17 HD1 TYR 17 1.441 -0.491 9.017
140 HD2 TYR 17 HD2 TYR 17 3.153 3.009 7.198
141 HE1 TYR 17 HE1 TYR 17 3.313 -0.540 10.672
142 HE2 TYR 17 HE2 TYR 17 5.025 2.972 8.844
143 HH TYR 17 HH TYR 17 5.948 1.891 10.638
144 H ALA 18 H ALA 18 1.566 1.913 3.774
145 HA ALA 18 HA ALA 18 -1.064 1.727 2.650
146 HB1 ALA 18 HB1 ALA 18 -0.073 2.899 0.745
147 HB2 ALA 18 HB2 ALA 18 0.505 3.611 2.264
148 HB3 ALA 18 HB3 ALA 18 1.563 2.533 1.325
149 H TYR 19 H TYR 19 2.027 0.120 1.573
150 HA TYR 19 HA TYR 19 0.878 -1.572 -0.393
151 HB2 TYR 19 HB2 TYR 19 3.380 -1.231 0.198
152 HB3 TYR 19 HB3 TYR 19 3.242 -2.096 1.450
153 HD1 TYR 19 HD1 TYR 19 3.021 -4.567 1.402
154 HD2 TYR 19 HD2 TYR 19 3.196 -2.247 -2.235
155 HE1 TYR 19 HE1 TYR 19 3.476 -6.642 0.094
156 HE2 TYR 19 HE2 TYR 19 3.654 -4.320 -3.534
157 HH TYR 19 HH TYR 19 3.958 -6.585 -3.455
158 H GLY 20 H GLY 20 1.152 -2.030 3.121
159 HA2 GLY 20 HA2 GLY 20 0.099 -4.612 3.415
160 HA3 GLY 20 HA3 GLY 20 0.016 -3.310 4.604
161 H LEU 21 H LEU 21 -1.719 -2.081 2.084
162 HA LEU 21 HA LEU 21 -4.113 -3.770 2.357
163 HB2 LEU 21 HB2 LEU 21 -5.517 -2.049 3.212
164 HB3 LEU 21 HB3 LEU 21 -4.291 -2.189 4.179
165 HG LEU 21 HG LEU 21 -3.225 -0.152 2.815
166 HD11 LEU 21 HD11 LEU 21 -5.040 -0.012 1.095
167 HD12 LEU 21 HD12 LEU 21 -4.963 1.443 2.089
168 HD13 LEU 21 HD13 LEU 21 -6.226 0.232 2.391
169 HD21 LEU 21 HD21 LEU 21 -5.526 0.128 4.793
170 HD22 LEU 21 HD22 LEU 21 -4.320 1.381 4.412
171 HD23 LEU 21 HD23 LEU 21 -3.811 -0.121 5.194
172 H ABA 22 H ABU 22 -2.331 -1.410 0.477
173 HA ABA 22 HA ABU 22 -4.205 -1.459 -1.775
174 HB3 ABA 22 HB3 ABU 22 -2.335 -0.296 -2.946
175 HB2 ABA 22 HB2 ABU 22 -1.338 -0.471 -1.500
176 HG1 ABA 22 HG1 ABU 22 -3.996 1.035 -1.681
177 HG3 ABA 22 HG3 ABU 22 -2.383 1.774 -1.647
178 HG2 ABA 22 HG2 ABU 22 -2.989 0.913 -0.221
179 H PHE 23 H PHE 23 -1.696 -3.555 -0.626
180 HA PHE 23 HA PHE 23 -1.953 -5.228 -3.095
181 HB2 PHE 23 HB2 PHE 23 0.527 -4.144 -1.946
182 HB3 PHE 23 HB3 PHE 23 0.622 -5.685 -2.016
183 HD1 PHE 23 HD1 PHE 23 0.289 -7.001 -4.152
184 HD2 PHE 23 HD2 PHE 23 0.589 -2.700 -4.079
185 HE1 PHE 23 HE1 PHE 23 0.874 -7.002 -6.566
186 HE2 PHE 23 HE2 PHE 23 1.172 -2.703 -6.496
187 HZ PHE 23 HZ PHE 23 1.319 -4.853 -7.741
188 H ARG 24 H ARG 24 -0.919 -5.231 0.335
189 HA ARG 24 HA ARG 24 -0.760 -6.900 1.880
190 HB2 ARG 24 HB2 ARG 24 -2.961 -7.638 2.589
191 HB3 ARG 24 HB3 ARG 24 -2.859 -6.065 2.352
192 HG2 ARG 24 HG2 ARG 24 -4.914 -6.517 1.372
193 HG3 ARG 24 HG3 ARG 24 -4.051 -6.219 0.177
194 HD2 ARG 24 HD2 ARG 24 -3.796 -8.841 -0.164
195 HD3 ARG 24 HD3 ARG 24 -4.663 -9.064 1.089
196 HE ARG 24 HE ARG 24 -6.642 -8.304 0.019
197 HH11 ARG 24 HH11 ARG 24 -3.942 -7.730 -2.179
198 HH12 ARG 24 HH12 ARG 24 -5.034 -7.493 -3.524
199 HH21 ARG 24 HH21 ARG 24 -7.872 -7.901 -1.587
200 HH22 ARG 24 HH22 ARG 24 -7.256 -7.574 -3.209
201 H LEU 25 H LEU 25 0.337 -7.802 -0.467
202 HA LEU 25 HA LEU 25 -0.514 -10.383 -1.281
203 HB2 LEU 25 HB2 LEU 25 0.991 -8.631 -2.465
204 HB3 LEU 25 HB3 LEU 25 2.185 -8.986 -1.543
205 HG LEU 25 HG LEU 25 2.339 -11.315 -2.393
206 HD11 LEU 25 HD11 LEU 25 -0.011 -11.768 -2.979
207 HD12 LEU 25 HD12 LEU 25 1.012 -11.956 -4.405
208 HD13 LEU 25 HD13 LEU 25 0.029 -10.486 -4.213
209 HD21 LEU 25 HD21 LEU 25 3.086 -10.742 -4.659
210 HD22 LEU 25 HD22 LEU 25 3.578 -9.504 -3.494
211 HD23 LEU 25 HD23 LEU 25 2.202 -9.200 -4.576
212 H NLE 26 H NLE 26 1.527 -9.446 1.368
213 HA NLE 26 HA NLE 26 2.134 -12.233 2.130
214 HB2 NLE 26 HB2 NLE 26 4.533 -11.757 2.328
215 HB3 NLE 26 HB3 NLE 26 3.967 -11.596 0.670
216 HG2 NLE 26 HG2 NLE 26 3.863 -9.051 1.065
217 HG3 NLE 26 HG3 NLE 26 4.633 -9.350 2.624
218 HD2 NLE 26 HD2 NLE 26 6.337 -8.682 1.117
219 HD3 NLE 26 HD3 NLE 26 6.569 -10.412 1.389
220 HE1 NLE 26 HE1 NLE 26 5.538 -10.907 -0.810
221 HE2 NLE 26 HE2 NLE 26 5.169 -9.180 -1.039
222 HE3 NLE 26 HE3 NLE 26 6.853 -9.738 -1.003
223 H GLY 27 H GLY 27 2.627 -12.488 4.309
224 HA2 GLY 27 HA2 GLY 27 2.216 -10.144 6.134
225 HA3 GLY 27 HA3 GLY 27 1.139 -11.542 6.179
226 H ALA 28 H ALA 28 4.223 -12.752 5.603
227 HA ALA 28 HA ALA 28 4.573 -13.766 8.279
228 HB1 ALA 28 HB1 ALA 28 5.247 -14.980 6.233
229 HB2 ALA 28 HB2 ALA 28 6.463 -13.726 5.884
230 HB3 ALA 28 HB3 ALA 28 6.621 -14.747 7.327
231 H SER 29 H SER 29 5.504 -10.771 6.859
232 HA SER 29 HA SER 29 7.496 -10.184 9.020
233 HB2 SER 29 HB2 SER 29 7.989 -9.410 6.141
234 HB3 SER 29 HB3 SER 29 8.945 -9.174 7.324
235 HG SER 29 HG SER 29 9.234 -11.412 7.611
236 H GLY 30 H GLY 30 4.538 -9.086 7.987
237 HA2 GLY 30 HA2 GLY 30 4.723 -6.565 9.216
238 HA3 GLY 30 HA3 GLY 30 5.059 -6.300 7.508
239 HA PRO 31 HA PRO 31 0.529 -5.514 8.574
240 HB2 PRO 31 HB2 PRO 31 0.894 -3.453 6.458
241 HB3 PRO 31 HB3 PRO 31 0.085 -3.361 7.659
242 HG2 PRO 31 HG2 PRO 31 2.457 -2.321 8.193
243 HG3 PRO 31 HG3 PRO 31 1.864 -3.187 9.272
244 HD2 PRO 31 HD2 PRO 31 4.050 -4.271 7.556
245 HD3 PRO 31 HD3 PRO 31 3.822 -4.438 9.028
246 H ASN 32 H ASN 32 -1.027 -6.726 7.762
247 HA ASN 32 HA ASN 32 -1.421 -7.129 4.858
248 HB2 ASN 32 HB2 ASN 32 -0.997 -9.509 4.979
249 HB3 ASN 32 HB3 ASN 32 0.245 -8.838 5.547
250 HD21 ASN 32 HD21 ASN 32 0.819 -8.979 7.824
251 HD22 ASN 32 HD22 ASN 32 -0.027 -10.128 8.850
252 H LYS 33 H LYS 33 -2.883 -6.523 7.771
253 HA LYS 33 HA LYS 33 -5.173 -8.381 7.498
254 HB2 LYS 33 HB2 LYS 33 -4.533 -6.560 9.795
255 HB3 LYS 33 HB3 LYS 33 -5.676 -7.590 9.834
256 HG2 LYS 33 HG2 LYS 33 -2.810 -8.485 9.714
257 HG3 LYS 33 HG3 LYS 33 -3.683 -8.455 10.990
258 HD2 LYS 33 HD2 LYS 33 -5.343 -10.099 9.745
259 HD3 LYS 33 HD3 LYS 33 -4.393 -10.172 8.569
260 HE2 LYS 33 HE2 LYS 33 -2.482 -10.981 10.160
261 HE3 LYS 33 HE3 LYS 33 -3.403 -10.843 11.373
262 HZ1 LYS 33 HZ1 LYS 33 -3.420 -13.116 10.530
263 HZ2 LYS 33 HZ2 LYS 33 -4.049 -12.644 9.100
264 HZ3 LYS 33 HZ3 LYS 33 -4.936 -12.517 10.469
265 H LYS 34 H LYS 34 -4.813 -5.808 5.853
266 HA LYS 34 HA LYS 34 -7.623 -4.839 6.080
267 HB2 LYS 34 HB2 LYS 34 -5.249 -2.969 6.001
268 HB3 LYS 34 HB3 LYS 34 -6.660 -2.483 5.627
269 HG2 LYS 34 HG2 LYS 34 -7.492 -3.279 7.978
270 HG3 LYS 34 HG3 LYS 34 -6.089 -3.703 8.357
271 HD2 LYS 34 HD2 LYS 34 -5.209 -1.333 7.974
272 HD3 LYS 34 HD3 LYS 34 -6.563 -0.845 7.411
273 HE2 LYS 34 HE2 LYS 34 -6.765 -0.198 9.731
274 HE3 LYS 34 HE3 LYS 34 -7.811 -1.295 9.507
275 HZ1 LYS 34 HZ1 LYS 34 -5.124 -1.881 10.649
276 HZ2 LYS 34 HZ2 LYS 34 -6.350 -2.961 10.524
277 HZ3 LYS 34 HZ3 LYS 34 -6.489 -1.678 11.518
278 H GLU 35 H GLU 35 -8.265 -3.579 4.195
279 HA GLU 35 HA GLU 35 -6.800 -4.077 1.665
280 HB2 GLU 35 HB2 GLU 35 -9.718 -4.775 1.820
281 HB3 GLU 35 HB3 GLU 35 -8.858 -4.808 0.536
282 HG2 GLU 35 HG2 GLU 35 -7.327 -6.568 1.830
283 HG3 GLU 35 HG3 GLU 35 -8.380 -6.642 2.916
284 H SER 36 H SER 36 -7.703 -2.726 -0.116
285 HA SER 36 HA SER 36 -7.993 0.005 0.690
286 HB2 SER 36 HB2 SER 36 -8.489 -1.078 -2.096
287 HB3 SER 36 HB3 SER 36 -8.409 0.420 -1.735
288 HG SER 36 HG SER 36 -6.317 -1.388 -1.031
289 H ARG 37 H ARG 37 -9.667 1.424 0.674
290 HA ARG 37 HA ARG 37 -12.489 0.532 0.256
291 HB2 ARG 37 HB2 ARG 37 -11.693 2.019 2.738
292 HB3 ARG 37 HB3 ARG 37 -13.135 1.563 2.419
293 HG2 ARG 37 HG2 ARG 37 -10.974 -0.379 3.147
294 HG3 ARG 37 HG3 ARG 37 -12.101 0.101 4.094
295 HD2 ARG 37 HD2 ARG 37 -13.852 -0.990 2.538
296 HD3 ARG 37 HD3 ARG 37 -12.781 -1.341 1.502
297 HE ARG 37 HE ARG 37 -11.856 -2.446 3.977
298 HH11 ARG 37 HH11 ARG 37 -14.348 -3.030 1.586
299 HH12 ARG 37 HH12 ARG 37 -14.418 -4.735 1.940
300 HH21 ARG 37 HH21 ARG 37 -12.006 -4.630 4.388
301 HH22 ARG 37 HH22 ARG 37 -13.107 -5.611 3.471
302 H GLY 38 H GLY 38 -13.983 2.513 0.579
303 HA2 GLY 38 HA2 GLY 38 -12.941 5.162 0.068
304 HA3 GLY 38 HA3 GLY 38 -13.595 4.435 -1.401
305 H ARG 39 H ARG 39 -14.767 6.628 -0.770
306 HA ARG 39 HA ARG 39 -17.389 6.005 0.565
307 HB2 ARG 39 HB2 ARG 39 -15.844 8.572 0.877
308 HB3 ARG 39 HB3 ARG 39 -17.301 8.419 1.364
309 HG2 ARG 39 HG2 ARG 39 -16.534 6.416 2.857
310 HG3 ARG 39 HG3 ARG 39 -15.096 6.621 2.449
311 HD2 ARG 39 HD2 ARG 39 -15.103 9.030 3.348
312 HD3 ARG 39 HD3 ARG 39 -16.627 8.997 3.576
313 HE ARG 39 HE ARG 39 -15.678 6.780 5.056
314 HH11 ARG 39 HH11 ARG 39 -15.296 10.262 5.156
315 HH12 ARG 39 HH12 ARG 39 -15.100 10.284 6.888
316 HH21 ARG 39 HH21 ARG 39 -15.440 6.882 7.269
317 HH22 ARG 39 HH22 ARG 39 -15.179 8.416 8.045
318 H GLY 40 H GLY 40 -16.391 6.323 -2.392
319 HA2 GLY 40 HA2 GLY 40 -18.825 7.052 -3.539
320 HA3 GLY 40 HA3 GLY 40 -17.893 8.551 -3.487
321 HN1 NH2 41 H1 NHE 41 -15.288 6.908 -3.994
322 HN2 NH2 41 H2 NHE 41 -15.378 6.565 -5.709
Start of MODEL 12
1 H1 VAL 1 H1 VAL 1 19.572 7.881 -6.941
2 H2 VAL 1 H2 VAL 1 18.451 9.066 -6.905
3 H3 VAL 1 H3 VAL 1 18.154 7.700 -7.749
4 HA VAL 1 HA VAL 1 16.913 7.716 -5.676
5 HB VAL 1 HB VAL 1 17.664 5.560 -4.715
6 HG11 VAL 1 HG11 VAL 1 16.144 5.644 -6.658
7 HG12 VAL 1 HG12 VAL 1 17.545 5.511 -7.753
8 HG13 VAL 1 HG13 VAL 1 17.158 4.196 -6.632
9 HG21 VAL 1 HG21 VAL 1 20.133 5.754 -5.046
10 HG22 VAL 1 HG22 VAL 1 19.452 4.260 -5.694
11 HG23 VAL 1 HG23 VAL 1 19.891 5.569 -6.802
12 H VAL 2 H VAL 2 16.902 7.599 -3.373
13 HA VAL 2 HA VAL 2 19.375 8.515 -1.950
14 HB VAL 2 HB VAL 2 18.022 9.921 -0.487
15 HG11 VAL 2 HG11 VAL 2 19.073 10.897 -2.510
16 HG12 VAL 2 HG12 VAL 2 17.545 10.672 -3.393
17 HG13 VAL 2 HG13 VAL 2 17.614 11.757 -1.990
18 HG21 VAL 2 HG21 VAL 2 15.815 8.800 -0.655
19 HG22 VAL 2 HG22 VAL 2 15.708 10.523 -1.018
20 HG23 VAL 2 HG23 VAL 2 15.665 9.349 -2.344
21 H PHE 3 H PHE 3 18.070 5.852 -2.369
22 HA PHE 3 HA PHE 3 17.157 4.072 -1.368
23 HB2 PHE 3 HB2 PHE 3 19.680 4.444 -0.363
24 HB3 PHE 3 HB3 PHE 3 18.994 4.509 0.972
25 HD1 PHE 3 HD1 PHE 3 18.511 2.470 2.178
26 HD2 PHE 3 HD2 PHE 3 18.905 2.361 -2.119
27 HE1 PHE 3 HE1 PHE 3 18.360 -0.012 2.222
28 HE2 PHE 3 HE2 PHE 3 18.738 -0.116 -2.075
29 HZ PHE 3 HZ PHE 3 18.468 -1.306 0.096
30 H TYR 4 H TYR 4 15.554 6.264 -0.918
31 HA TYR 4 HA TYR 4 13.681 6.928 0.111
32 HB2 TYR 4 HB2 TYR 4 13.311 4.156 1.131
33 HB3 TYR 4 HB3 TYR 4 12.196 5.158 0.787
34 HD1 TYR 4 HD1 TYR 4 11.729 5.932 -1.596
35 HD2 TYR 4 HD2 TYR 4 14.511 2.763 -0.676
36 HE1 TYR 4 HE1 TYR 4 11.681 5.192 -3.977
37 HE2 TYR 4 HE2 TYR 4 14.472 2.033 -3.054
38 HH TYR 4 HH TYR 4 13.629 2.415 -5.151
39 H VAL 5 H VAL 5 16.179 7.035 1.963
40 HA VAL 5 HA VAL 5 15.473 6.496 4.595
41 HB VAL 5 HB VAL 5 17.168 8.099 5.318
42 HG11 VAL 5 HG11 VAL 5 19.072 7.059 4.230
43 HG12 VAL 5 HG12 VAL 5 17.808 5.853 4.514
44 HG13 VAL 5 HG13 VAL 5 18.061 6.508 2.881
45 HG21 VAL 5 HG21 VAL 5 18.514 9.362 3.665
46 HG22 VAL 5 HG22 VAL 5 17.345 8.960 2.396
47 HG23 VAL 5 HG23 VAL 5 16.866 9.974 3.776
48 H ALA 6 H ALA 6 14.590 9.458 2.828
49 HA ALA 6 HA ALA 6 13.447 10.811 5.110
50 HB1 ALA 6 HB1 ALA 6 12.448 12.273 3.381
51 HB2 ALA 6 HB2 ALA 6 14.171 11.989 3.075
52 HB3 ALA 6 HB3 ALA 6 12.942 11.131 2.115
53 H LEU 7 H LEU 7 12.026 8.706 2.568
54 HA LEU 7 HA LEU 7 9.309 8.924 3.366
55 HB2 LEU 7 HB2 LEU 7 10.663 7.583 1.350
56 HB3 LEU 7 HB3 LEU 7 10.394 6.361 2.199
57 HG LEU 7 HG LEU 7 8.165 8.233 1.274
58 HD11 LEU 7 HD11 LEU 7 9.245 6.944 -0.535
59 HD12 LEU 7 HD12 LEU 7 7.583 6.401 -0.258
60 HD13 LEU 7 HD13 LEU 7 8.945 5.434 0.354
61 HD21 LEU 7 HD21 LEU 7 6.600 6.430 1.934
62 HD22 LEU 7 HD22 LEU 7 7.417 7.128 3.323
63 HD23 LEU 7 HD23 LEU 7 7.948 5.546 2.700
64 H THR 8 H THR 8 11.846 6.578 4.293
65 HA THR 8 HA THR 8 10.326 5.089 6.165
66 HB THR 8 HB THR 8 13.335 5.490 6.071
67 HG1 THR 8 HG1 THR 8 13.258 3.712 4.691
68 HG21 THR 8 HG21 THR 8 13.383 3.098 6.860
69 HG22 THR 8 HG22 THR 8 11.630 3.191 7.138
70 HG23 THR 8 HG23 THR 8 12.753 4.205 8.076
71 H ALA 9 H ALA 9 11.509 8.320 6.574
72 HA ALA 9 HA ALA 9 11.373 8.064 9.561
73 HB1 ALA 9 HB1 ALA 9 13.176 9.711 9.651
74 HB2 ALA 9 HB2 ALA 9 13.666 8.272 8.736
75 HB3 ALA 9 HB3 ALA 9 13.243 9.769 7.877
76 H VAL 10 H VAL 10 11.342 10.840 7.210
77 HA VAL 10 HA VAL 10 9.593 12.331 9.034
78 HB VAL 10 HB VAL 10 9.618 14.117 7.323
79 HG11 VAL 10 HG11 VAL 10 11.249 14.052 9.163
80 HG12 VAL 10 HG12 VAL 10 12.359 13.088 8.164
81 HG13 VAL 10 HG13 VAL 10 11.948 14.752 7.698
82 HG21 VAL 10 HG21 VAL 10 10.022 12.668 5.283
83 HG22 VAL 10 HG22 VAL 10 11.094 14.068 5.438
84 HG23 VAL 10 HG23 VAL 10 11.695 12.456 5.851
85 H NLE 11 H NLE 11 9.010 10.146 6.475
86 HA NLE 11 HA NLE 11 6.087 10.755 6.698
87 HB2 NLE 11 HB2 NLE 11 7.486 9.299 4.440
88 HB3 NLE 11 HB3 NLE 11 5.751 9.562 4.605
89 HG2 NLE 11 HG2 NLE 11 6.077 12.007 4.465
90 HG3 NLE 11 HG3 NLE 11 7.821 11.774 4.312
91 HD2 NLE 11 HD2 NLE 11 6.886 12.195 2.131
92 HD3 NLE 11 HD3 NLE 11 7.502 10.542 2.194
93 HE1 NLE 11 HE1 NLE 11 5.218 9.655 2.384
94 HE2 NLE 11 HE2 NLE 11 4.560 11.307 2.525
95 HE3 NLE 11 HE3 NLE 11 5.304 10.762 1.007
96 H VAL 12 H VAL 12 7.978 9.197 8.457
97 HA VAL 12 HA VAL 12 8.114 7.257 9.632
98 HB VAL 12 HB VAL 12 6.083 6.823 10.896
99 HG11 VAL 12 HG11 VAL 12 7.513 8.781 11.408
100 HG12 VAL 12 HG12 VAL 12 6.490 9.795 10.371
101 HG13 VAL 12 HG13 VAL 12 5.812 9.038 11.826
102 HG21 VAL 12 HG21 VAL 12 4.372 7.017 9.067
103 HG22 VAL 12 HG22 VAL 12 3.991 7.981 10.498
104 HG23 VAL 12 HG23 VAL 12 4.638 8.774 9.049
105 H ALA 13 H ALA 13 8.169 6.474 6.924
106 HA ALA 13 HA ALA 13 8.078 4.690 5.591
107 HB1 ALA 13 HB1 ALA 13 9.212 3.626 7.556
108 HB2 ALA 13 HB2 ALA 13 7.635 3.001 8.077
109 HB3 ALA 13 HB3 ALA 13 8.323 2.485 6.529
110 H VAL 14 H VAL 14 5.587 6.139 6.006
111 HA VAL 14 HA VAL 14 3.285 4.638 6.188
112 HB VAL 14 HB VAL 14 3.396 7.071 6.002
113 HG11 VAL 14 HG11 VAL 14 3.578 6.694 2.980
114 HG12 VAL 14 HG12 VAL 14 3.423 8.219 3.869
115 HG13 VAL 14 HG13 VAL 14 4.905 7.267 4.015
116 HG21 VAL 14 HG21 VAL 14 1.286 7.406 4.885
117 HG22 VAL 14 HG22 VAL 14 1.437 5.866 4.017
118 HG23 VAL 14 HG23 VAL 14 1.247 5.883 5.786
119 H ALA 15 H ALA 15 5.416 4.653 3.357
120 HA ALA 15 HA ALA 15 3.740 3.378 1.487
121 HB1 ALA 15 HB1 ALA 15 6.755 3.177 1.873
122 HB2 ALA 15 HB2 ALA 15 5.865 2.700 0.411
123 HB3 ALA 15 HB3 ALA 15 5.880 4.396 0.912
124 H LEU 16 H LEU 16 5.478 1.896 4.235
125 HA LEU 16 HA LEU 16 5.171 -0.857 3.396
126 HB2 LEU 16 HB2 LEU 16 6.714 0.035 5.239
127 HB3 LEU 16 HB3 LEU 16 5.515 0.445 6.135
128 HG LEU 16 HG LEU 16 4.710 -1.883 6.415
129 HD11 LEU 16 HD11 LEU 16 6.205 -3.757 5.731
130 HD12 LEU 16 HD12 LEU 16 7.192 -2.612 4.798
131 HD13 LEU 16 HD13 LEU 16 5.501 -2.927 4.339
132 HD21 LEU 16 HD21 LEU 16 6.558 -2.627 7.845
133 HD22 LEU 16 HD22 LEU 16 6.284 -0.886 8.015
134 HD23 LEU 16 HD23 LEU 16 7.657 -1.478 7.050
135 H TYR 17 H TYR 17 3.303 1.235 5.624
136 HA TYR 17 HA TYR 17 1.238 -0.706 6.141
137 HB2 TYR 17 HB2 TYR 17 0.955 2.233 6.622
138 HB3 TYR 17 HB3 TYR 17 0.129 1.126 7.293
139 HD1 TYR 17 HD1 TYR 17 1.267 -0.688 8.792
140 HD2 TYR 17 HD2 TYR 17 3.237 2.936 7.529
141 HE1 TYR 17 HE1 TYR 17 2.979 -0.983 10.583
142 HE2 TYR 17 HE2 TYR 17 4.930 2.651 9.317
143 HH TYR 17 HH TYR 17 5.657 1.354 11.064
144 H ALA 18 H ALA 18 1.538 1.932 3.760
145 HA ALA 18 HA ALA 18 -1.062 1.680 2.593
146 HB1 ALA 18 HB1 ALA 18 -0.037 2.822 0.675
147 HB2 ALA 18 HB2 ALA 18 0.460 3.587 2.198
148 HB3 ALA 18 HB3 ALA 18 1.584 2.517 1.327
149 H TYR 19 H TYR 19 2.079 0.075 1.605
150 HA TYR 19 HA TYR 19 0.944 -1.620 -0.366
151 HB2 TYR 19 HB2 TYR 19 3.449 -1.317 0.260
152 HB3 TYR 19 HB3 TYR 19 3.280 -2.193 1.498
153 HD1 TYR 19 HD1 TYR 19 3.027 -4.657 1.426
154 HD2 TYR 19 HD2 TYR 19 3.211 -2.311 -2.194
155 HE1 TYR 19 HE1 TYR 19 3.404 -6.732 0.093
156 HE2 TYR 19 HE2 TYR 19 3.593 -4.383 -3.517
157 HH TYR 19 HH TYR 19 3.835 -6.657 -3.464
158 H GLY 20 H GLY 20 1.164 -2.074 3.156
159 HA2 GLY 20 HA2 GLY 20 0.055 -4.653 3.372
160 HA3 GLY 20 HA3 GLY 20 0.035 -3.404 4.621
161 H LEU 21 H LEU 21 -1.681 -2.101 2.071
162 HA LEU 21 HA LEU 21 -4.123 -3.709 2.410
163 HB2 LEU 21 HB2 LEU 21 -5.474 -1.923 3.193
164 HB3 LEU 21 HB3 LEU 21 -4.238 -2.024 4.155
165 HG LEU 21 HG LEU 21 -3.176 -0.086 2.626
166 HD11 LEU 21 HD11 LEU 21 -5.089 -0.030 0.994
167 HD12 LEU 21 HD12 LEU 21 -4.907 1.489 1.873
168 HD13 LEU 21 HD13 LEU 21 -6.186 0.347 2.333
169 HD21 LEU 21 HD21 LEU 21 -5.375 0.344 4.689
170 HD22 LEU 21 HD22 LEU 21 -4.167 1.549 4.184
171 HD23 LEU 21 HD23 LEU 21 -3.647 0.083 5.024
172 H ABA 22 H ABU 22 -2.383 -1.278 0.513
173 HA ABA 22 HA ABU 22 -4.207 -1.375 -1.742
174 HB3 ABA 22 HB3 ABU 22 -2.356 -0.187 -2.912
175 HB2 ABA 22 HB2 ABU 22 -1.329 -0.402 -1.493
176 HG1 ABA 22 HG1 ABU 22 -3.978 1.128 -1.570
177 HG3 ABA 22 HG3 ABU 22 -2.359 1.857 -1.580
178 HG2 ABA 22 HG2 ABU 22 -2.922 0.978 -0.149
179 H PHE 23 H PHE 23 -1.708 -3.490 -0.620
180 HA PHE 23 HA PHE 23 -2.021 -5.143 -3.091
181 HB2 PHE 23 HB2 PHE 23 0.511 -4.148 -1.958
182 HB3 PHE 23 HB3 PHE 23 0.551 -5.686 -2.079
183 HD1 PHE 23 HD1 PHE 23 0.068 -6.922 -4.248
184 HD2 PHE 23 HD2 PHE 23 0.611 -2.648 -4.052
185 HE1 PHE 23 HE1 PHE 23 0.562 -6.875 -6.681
186 HE2 PHE 23 HE2 PHE 23 1.102 -2.603 -6.490
187 HZ PHE 23 HZ PHE 23 1.079 -4.716 -7.805
188 H ARG 24 H ARG 24 -1.011 -5.178 0.346
189 HA ARG 24 HA ARG 24 -0.891 -6.868 1.879
190 HB2 ARG 24 HB2 ARG 24 -3.120 -7.596 2.540
191 HB3 ARG 24 HB3 ARG 24 -2.978 -6.020 2.358
192 HG2 ARG 24 HG2 ARG 24 -5.032 -6.398 1.336
193 HG3 ARG 24 HG3 ARG 24 -4.144 -6.072 0.165
194 HD2 ARG 24 HD2 ARG 24 -3.930 -8.690 -0.255
195 HD3 ARG 24 HD3 ARG 24 -4.851 -8.930 0.959
196 HE ARG 24 HE ARG 24 -6.766 -8.036 -0.148
197 HH11 ARG 24 HH11 ARG 24 -3.977 -7.622 -2.270
198 HH12 ARG 24 HH12 ARG 24 -5.014 -7.369 -3.654
199 HH21 ARG 24 HH21 ARG 24 -7.925 -7.612 -1.801
200 HH22 ARG 24 HH22 ARG 24 -7.243 -7.346 -3.408
201 H LEU 25 H LEU 25 0.260 -7.751 -0.417
202 HA LEU 25 HA LEU 25 -0.729 -10.246 -1.349
203 HB2 LEU 25 HB2 LEU 25 0.920 -8.421 -2.387
204 HB3 LEU 25 HB3 LEU 25 2.081 -9.114 -1.648
205 HG LEU 25 HG LEU 25 1.685 -11.297 -2.844
206 HD11 LEU 25 HD11 LEU 25 -0.721 -11.128 -3.346
207 HD12 LEU 25 HD12 LEU 25 0.192 -11.259 -4.849
208 HD13 LEU 25 HD13 LEU 25 -0.436 -9.678 -4.334
209 HD21 LEU 25 HD21 LEU 25 2.470 -10.503 -5.034
210 HD22 LEU 25 HD22 LEU 25 3.264 -9.622 -3.719
211 HD23 LEU 25 HD23 LEU 25 1.953 -8.848 -4.636
212 H NLE 26 H NLE 26 1.290 -9.549 1.341
213 HA NLE 26 HA NLE 26 1.642 -12.366 2.057
214 HB2 NLE 26 HB2 NLE 26 4.069 -12.155 2.393
215 HB3 NLE 26 HB3 NLE 26 3.623 -11.961 0.701
216 HG2 NLE 26 HG2 NLE 26 3.856 -9.477 0.925
217 HG3 NLE 26 HG3 NLE 26 4.268 -9.679 2.630
218 HD2 NLE 26 HD2 NLE 26 6.286 -9.310 1.399
219 HD3 NLE 26 HD3 NLE 26 6.293 -10.976 1.983
220 HE1 NLE 26 HE1 NLE 26 5.702 -11.795 -0.270
221 HE2 NLE 26 HE2 NLE 26 5.534 -10.119 -0.853
222 HE3 NLE 26 HE3 NLE 26 7.122 -10.743 -0.363
223 H GLY 27 H GLY 27 2.335 -12.602 4.296
224 HA2 GLY 27 HA2 GLY 27 1.968 -10.190 6.039
225 HA3 GLY 27 HA3 GLY 27 0.927 -11.605 6.215
226 H ALA 28 H ALA 28 3.921 -12.902 5.537
227 HA ALA 28 HA ALA 28 4.468 -13.643 8.273
228 HB1 ALA 28 HB1 ALA 28 4.904 -15.106 6.331
229 HB2 ALA 28 HB2 ALA 28 6.133 -13.961 5.737
230 HB3 ALA 28 HB3 ALA 28 6.380 -14.823 7.270
231 H SER 29 H SER 29 5.400 -10.880 6.433
232 HA SER 29 HA SER 29 7.540 -10.113 8.383
233 HB2 SER 29 HB2 SER 29 7.935 -9.773 5.404
234 HB3 SER 29 HB3 SER 29 8.954 -9.420 6.506
235 HG SER 29 HG SER 29 9.138 -11.617 7.104
236 H GLY 30 H GLY 30 4.593 -9.083 7.577
237 HA2 GLY 30 HA2 GLY 30 5.034 -6.342 8.202
238 HA3 GLY 30 HA3 GLY 30 4.905 -6.494 6.452
239 HA PRO 31 HA PRO 31 0.707 -5.899 8.549
240 HB2 PRO 31 HB2 PRO 31 -0.032 -3.543 7.487
241 HB3 PRO 31 HB3 PRO 31 0.882 -3.621 8.699
242 HG2 PRO 31 HG2 PRO 31 2.023 -3.028 6.019
243 HG3 PRO 31 HG3 PRO 31 2.367 -2.405 7.290
244 HD2 PRO 31 HD2 PRO 31 4.039 -4.442 6.766
245 HD3 PRO 31 HD3 PRO 31 3.679 -4.132 8.212
246 H ASN 32 H ASN 32 -1.180 -6.678 7.751
247 HA ASN 32 HA ASN 32 -1.589 -7.155 4.852
248 HB2 ASN 32 HB2 ASN 32 -1.208 -9.548 5.109
249 HB3 ASN 32 HB3 ASN 32 0.055 -8.834 5.578
250 HD21 ASN 32 HD21 ASN 32 0.798 -8.940 7.782
251 HD22 ASN 32 HD22 ASN 32 -0.035 -9.968 8.936
252 H LYS 33 H LYS 33 -3.131 -6.183 7.507
253 HA LYS 33 HA LYS 33 -5.408 -8.111 7.462
254 HB2 LYS 33 HB2 LYS 33 -4.719 -6.137 9.609
255 HB3 LYS 33 HB3 LYS 33 -5.873 -7.148 9.737
256 HG2 LYS 33 HG2 LYS 33 -3.017 -8.066 9.667
257 HG3 LYS 33 HG3 LYS 33 -3.892 -7.959 10.936
258 HD2 LYS 33 HD2 LYS 33 -5.558 -9.659 9.781
259 HD3 LYS 33 HD3 LYS 33 -4.593 -9.820 8.620
260 HE2 LYS 33 HE2 LYS 33 -2.706 -10.527 10.306
261 HE3 LYS 33 HE3 LYS 33 -3.669 -10.337 11.482
262 HZ1 LYS 33 HZ1 LYS 33 -5.161 -12.061 10.601
263 HZ2 LYS 33 HZ2 LYS 33 -3.641 -12.646 10.737
264 HZ3 LYS 33 HZ3 LYS 33 -4.228 -12.238 9.267
265 H LYS 34 H LYS 34 -4.997 -5.501 5.749
266 HA LYS 34 HA LYS 34 -7.822 -4.538 5.932
267 HB2 LYS 34 HB2 LYS 34 -5.459 -2.660 5.849
268 HB3 LYS 34 HB3 LYS 34 -6.892 -2.183 5.598
269 HG2 LYS 34 HG2 LYS 34 -7.565 -3.055 7.955
270 HG3 LYS 34 HG3 LYS 34 -6.150 -3.544 8.221
271 HD2 LYS 34 HD2 LYS 34 -5.228 -1.171 7.885
272 HD3 LYS 34 HD3 LYS 34 -6.622 -0.620 7.514
273 HE2 LYS 34 HE2 LYS 34 -6.531 -0.159 9.895
274 HE3 LYS 34 HE3 LYS 34 -7.639 -1.199 9.700
275 HZ1 LYS 34 HZ1 LYS 34 -4.868 -1.970 10.477
276 HZ2 LYS 34 HZ2 LYS 34 -6.153 -2.989 10.417
277 HZ3 LYS 34 HZ3 LYS 34 -6.113 -1.787 11.512
278 H GLU 35 H GLU 35 -8.363 -3.154 4.010
279 HA GLU 35 HA GLU 35 -6.849 -3.733 1.530
280 HB2 GLU 35 HB2 GLU 35 -9.779 -4.385 1.633
281 HB3 GLU 35 HB3 GLU 35 -8.933 -4.364 0.337
282 HG2 GLU 35 HG2 GLU 35 -7.398 -6.184 1.518
283 HG3 GLU 35 HG3 GLU 35 -8.413 -6.295 2.633
284 H SER 36 H SER 36 -7.412 -2.300 -0.246
285 HA SER 36 HA SER 36 -7.916 0.390 0.316
286 HB2 SER 36 HB2 SER 36 -8.459 -0.831 -2.400
287 HB3 SER 36 HB3 SER 36 -8.253 0.662 -2.083
288 HG SER 36 HG SER 36 -6.340 -0.465 -2.778
289 H ARG 37 H ARG 37 -9.638 1.769 0.116
290 HA ARG 37 HA ARG 37 -12.392 0.794 -0.452
291 HB2 ARG 37 HB2 ARG 37 -11.894 2.499 1.962
292 HB3 ARG 37 HB3 ARG 37 -13.276 1.939 1.550
293 HG2 ARG 37 HG2 ARG 37 -11.104 0.188 2.643
294 HG3 ARG 37 HG3 ARG 37 -12.334 0.682 3.443
295 HD2 ARG 37 HD2 ARG 37 -13.896 -0.656 1.922
296 HD3 ARG 37 HD3 ARG 37 -12.783 -0.953 0.924
297 HE ARG 37 HE ARG 37 -11.884 -1.874 3.508
298 HH11 ARG 37 HH11 ARG 37 -14.013 -2.810 0.882
299 HH12 ARG 37 HH12 ARG 37 -13.887 -4.505 1.258
300 HH21 ARG 37 HH21 ARG 37 -11.801 -4.054 3.954
301 HH22 ARG 37 HH22 ARG 37 -12.632 -5.185 2.930
302 H GLY 38 H GLY 38 -13.932 2.777 -0.419
303 HA2 GLY 38 HA2 GLY 38 -12.840 5.386 -1.075
304 HA3 GLY 38 HA3 GLY 38 -13.434 4.537 -2.503
305 H ARG 39 H ARG 39 -14.600 6.824 -2.031
306 HA ARG 39 HA ARG 39 -17.268 6.299 -0.743
307 HB2 ARG 39 HB2 ARG 39 -15.628 8.809 -0.464
308 HB3 ARG 39 HB3 ARG 39 -17.115 8.774 -0.061
309 HG2 ARG 39 HG2 ARG 39 -16.596 6.790 1.547
310 HG3 ARG 39 HG3 ARG 39 -15.122 6.854 1.214
311 HD2 ARG 39 HD2 ARG 39 -14.969 9.281 2.043
312 HD3 ARG 39 HD3 ARG 39 -16.499 9.392 2.178
313 HE ARG 39 HE ARG 39 -15.890 7.154 3.771
314 HH11 ARG 39 HH11 ARG 39 -15.059 10.558 3.807
315 HH12 ARG 39 HH12 ARG 39 -14.940 10.605 5.545
316 HH21 ARG 39 HH21 ARG 39 -15.743 7.290 5.986
317 HH22 ARG 39 HH22 ARG 39 -15.320 8.798 6.739
318 H GLY 40 H GLY 40 -16.068 6.766 -3.719
319 HA2 GLY 40 HA2 GLY 40 -18.617 7.565 -4.812
320 HA3 GLY 40 HA3 GLY 40 -17.475 8.905 -4.881
321 HN1 NH2 41 H1 NHE 41 -15.783 5.908 -5.328
322 HN2 NH2 41 H2 NHE 41 -15.755 5.970 -7.073
Start of MODEL 13
1 H1 VAL 1 H1 VAL 1 19.171 9.020 -7.025
2 H2 VAL 1 H2 VAL 1 18.074 10.152 -6.607
3 H3 VAL 1 H3 VAL 1 17.626 8.904 -7.563
4 HA VAL 1 HA VAL 1 16.814 8.601 -5.306
5 HB VAL 1 HB VAL 1 17.827 6.358 -4.805
6 HG11 VAL 1 HG11 VAL 1 15.815 6.634 -6.190
7 HG12 VAL 1 HG12 VAL 1 16.827 6.739 -7.653
8 HG13 VAL 1 HG13 VAL 1 16.795 5.251 -6.691
9 HG21 VAL 1 HG21 VAL 1 20.099 6.698 -5.807
10 HG22 VAL 1 HG22 VAL 1 19.262 5.263 -6.404
11 HG23 VAL 1 HG23 VAL 1 19.352 6.703 -7.426
12 H VAL 2 H VAL 2 17.165 8.364 -3.112
13 HA VAL 2 HA VAL 2 19.869 8.966 -1.994
14 HB VAL 2 HB VAL 2 18.848 10.478 -0.326
15 HG11 VAL 2 HG11 VAL 2 19.939 11.379 -2.349
16 HG12 VAL 2 HG12 VAL 2 18.359 11.439 -3.163
17 HG13 VAL 2 HG13 VAL 2 18.657 12.427 -1.721
18 HG21 VAL 2 HG21 VAL 2 16.475 9.702 -0.445
19 HG22 VAL 2 HG22 VAL 2 16.639 11.448 -0.655
20 HG23 VAL 2 HG23 VAL 2 16.339 10.421 -2.068
21 H PHE 3 H PHE 3 18.415 6.457 -2.286
22 HA PHE 3 HA PHE 3 17.456 4.716 -1.232
23 HB2 PHE 3 HB2 PHE 3 19.926 4.809 -0.389
24 HB3 PHE 3 HB3 PHE 3 19.455 5.390 0.942
25 HD1 PHE 3 HD1 PHE 3 19.459 3.835 2.704
26 HD2 PHE 3 HD2 PHE 3 18.174 2.527 -1.204
27 HE1 PHE 3 HE1 PHE 3 19.052 1.552 3.595
28 HE2 PHE 3 HE2 PHE 3 17.748 0.257 -0.302
29 HZ PHE 3 HZ PHE 3 18.188 -0.236 2.097
30 H TYR 4 H TYR 4 15.918 6.972 -0.915
31 HA TYR 4 HA TYR 4 14.055 7.751 0.069
32 HB2 TYR 4 HB2 TYR 4 13.595 5.018 1.162
33 HB3 TYR 4 HB3 TYR 4 12.510 6.038 0.780
34 HD1 TYR 4 HD1 TYR 4 12.049 6.742 -1.612
35 HD2 TYR 4 HD2 TYR 4 14.783 3.557 -0.608
36 HE1 TYR 4 HE1 TYR 4 11.974 5.928 -3.969
37 HE2 TYR 4 HE2 TYR 4 14.716 2.755 -2.963
38 HH TYR 4 HH TYR 4 13.863 3.083 -5.064
39 H VAL 5 H VAL 5 16.506 7.886 1.937
40 HA VAL 5 HA VAL 5 15.905 7.289 4.541
41 HB VAL 5 HB VAL 5 17.496 9.056 5.255
42 HG11 VAL 5 HG11 VAL 5 19.443 8.064 4.157
43 HG12 VAL 5 HG12 VAL 5 18.258 6.825 4.599
44 HG13 VAL 5 HG13 VAL 5 18.405 7.346 2.910
45 HG21 VAL 5 HG21 VAL 5 18.751 10.331 3.569
46 HG22 VAL 5 HG22 VAL 5 17.661 9.769 2.292
47 HG23 VAL 5 HG23 VAL 5 17.057 10.821 3.592
48 H ALA 6 H ALA 6 14.726 10.266 2.967
49 HA ALA 6 HA ALA 6 13.626 11.385 5.407
50 HB1 ALA 6 HB1 ALA 6 12.467 12.915 3.852
51 HB2 ALA 6 HB2 ALA 6 14.187 12.765 3.449
52 HB3 ALA 6 HB3 ALA 6 12.967 11.914 2.472
53 H LEU 7 H LEU 7 12.212 9.427 2.747
54 HA LEU 7 HA LEU 7 9.523 9.390 3.659
55 HB2 LEU 7 HB2 LEU 7 10.782 8.445 1.459
56 HB3 LEU 7 HB3 LEU 7 10.864 7.105 2.182
57 HG LEU 7 HG LEU 7 8.217 8.534 1.663
58 HD11 LEU 7 HD11 LEU 7 9.367 7.704 -0.364
59 HD12 LEU 7 HD12 LEU 7 7.893 6.784 -0.037
60 HD13 LEU 7 HD13 LEU 7 9.479 6.083 0.358
61 HD21 LEU 7 HD21 LEU 7 7.173 6.309 2.171
62 HD22 LEU 7 HD22 LEU 7 7.858 7.102 3.582
63 HD23 LEU 7 HD23 LEU 7 8.741 5.757 2.808
64 H THR 8 H THR 8 12.229 7.115 4.245
65 HA THR 8 HA THR 8 10.835 5.405 6.041
66 HB THR 8 HB THR 8 13.843 5.764 5.955
67 HG1 THR 8 HG1 THR 8 13.797 4.364 4.199
68 HG21 THR 8 HG21 THR 8 12.058 3.301 6.300
69 HG22 THR 8 HG22 THR 8 13.075 4.031 7.563
70 HG23 THR 8 HG23 THR 8 13.827 3.271 6.165
71 H ALA 9 H ALA 9 11.767 8.606 6.703
72 HA ALA 9 HA ALA 9 11.909 8.059 9.650
73 HB1 ALA 9 HB1 ALA 9 13.578 9.835 9.820
74 HB2 ALA 9 HB2 ALA 9 14.133 8.539 8.744
75 HB3 ALA 9 HB3 ALA 9 13.547 10.069 8.059
76 H VAL 10 H VAL 10 11.578 11.062 7.620
77 HA VAL 10 HA VAL 10 9.792 12.200 9.641
78 HB VAL 10 HB VAL 10 9.593 14.139 8.105
79 HG11 VAL 10 HG11 VAL 10 11.272 14.053 9.890
80 HG12 VAL 10 HG12 VAL 10 12.433 13.284 8.785
81 HG13 VAL 10 HG13 VAL 10 11.869 14.942 8.481
82 HG21 VAL 10 HG21 VAL 10 10.055 12.928 5.935
83 HG22 VAL 10 HG22 VAL 10 11.003 14.401 6.188
84 HG23 VAL 10 HG23 VAL 10 11.760 12.822 6.432
85 H NLE 11 H NLE 11 9.256 10.271 6.862
86 HA NLE 11 HA NLE 11 6.305 10.660 7.201
87 HB2 NLE 11 HB2 NLE 11 7.727 9.494 4.794
88 HB3 NLE 11 HB3 NLE 11 5.994 9.711 4.996
89 HG2 NLE 11 HG2 NLE 11 6.244 12.149 5.047
90 HG3 NLE 11 HG3 NLE 11 8.002 12.003 4.952
91 HD2 NLE 11 HD2 NLE 11 7.129 12.592 2.785
92 HD3 NLE 11 HD3 NLE 11 7.845 10.981 2.722
93 HE1 NLE 11 HE1 NLE 11 5.616 9.946 2.725
94 HE2 NLE 11 HE2 NLE 11 4.851 11.538 2.965
95 HE3 NLE 11 HE3 NLE 11 5.701 11.171 1.450
96 H VAL 12 H VAL 12 8.373 9.005 8.710
97 HA VAL 12 HA VAL 12 8.693 6.927 9.587
98 HB VAL 12 HB VAL 12 6.769 6.246 10.940
99 HG11 VAL 12 HG11 VAL 12 8.229 8.105 11.627
100 HG12 VAL 12 HG12 VAL 12 7.138 9.261 10.833
101 HG13 VAL 12 HG13 VAL 12 6.568 8.297 12.210
102 HG21 VAL 12 HG21 VAL 12 4.917 6.686 9.299
103 HG22 VAL 12 HG22 VAL 12 4.653 7.424 10.886
104 HG23 VAL 12 HG23 VAL 12 5.177 8.429 9.523
105 H ALA 13 H ALA 13 8.586 6.469 6.836
106 HA ALA 13 HA ALA 13 8.435 4.852 5.301
107 HB1 ALA 13 HB1 ALA 13 9.761 3.643 7.044
108 HB2 ALA 13 HB2 ALA 13 8.261 2.889 7.614
109 HB3 ALA 13 HB3 ALA 13 8.843 2.572 5.969
110 H VAL 14 H VAL 14 5.980 6.140 5.918
111 HA VAL 14 HA VAL 14 3.679 4.706 6.163
112 HB VAL 14 HB VAL 14 3.808 7.110 5.960
113 HG11 VAL 14 HG11 VAL 14 4.018 6.735 2.941
114 HG12 VAL 14 HG12 VAL 14 3.833 8.265 3.817
115 HG13 VAL 14 HG13 VAL 14 5.319 7.329 4.001
116 HG21 VAL 14 HG21 VAL 14 1.709 7.517 4.868
117 HG22 VAL 14 HG22 VAL 14 1.816 5.998 3.959
118 HG23 VAL 14 HG23 VAL 14 1.630 5.971 5.728
119 H ALA 15 H ALA 15 5.684 4.564 3.270
120 HA ALA 15 HA ALA 15 3.939 3.367 1.431
121 HB1 ALA 15 HB1 ALA 15 6.921 2.899 1.874
122 HB2 ALA 15 HB2 ALA 15 6.015 2.516 0.395
123 HB3 ALA 15 HB3 ALA 15 6.191 4.205 0.906
124 H LEU 16 H LEU 16 5.613 1.775 4.179
125 HA LEU 16 HA LEU 16 5.037 -0.952 3.431
126 HB2 LEU 16 HB2 LEU 16 6.660 -0.232 5.232
127 HB3 LEU 16 HB3 LEU 16 5.556 0.440 6.092
128 HG LEU 16 HG LEU 16 4.406 -1.679 6.612
129 HD11 LEU 16 HD11 LEU 16 5.484 -3.839 6.039
130 HD12 LEU 16 HD12 LEU 16 6.631 -2.985 4.985
131 HD13 LEU 16 HD13 LEU 16 4.895 -3.005 4.598
132 HD21 LEU 16 HD21 LEU 16 6.153 -2.626 8.035
133 HD22 LEU 16 HD22 LEU 16 6.225 -0.858 8.050
134 HD23 LEU 16 HD23 LEU 16 7.407 -1.782 7.096
135 H TYR 17 H TYR 17 3.349 1.348 5.582
136 HA TYR 17 HA TYR 17 1.215 -0.465 6.235
137 HB2 TYR 17 HB2 TYR 17 1.134 2.490 6.700
138 HB3 TYR 17 HB3 TYR 17 0.286 1.441 7.428
139 HD1 TYR 17 HD1 TYR 17 1.440 -0.499 8.802
140 HD2 TYR 17 HD2 TYR 17 3.482 3.076 7.518
141 HE1 TYR 17 HE1 TYR 17 3.257 -0.930 10.457
142 HE2 TYR 17 HE2 TYR 17 5.287 2.647 9.161
143 HH TYR 17 HH TYR 17 6.079 1.257 10.800
144 H ALA 18 H ALA 18 1.589 1.984 3.698
145 HA ALA 18 HA ALA 18 -1.102 1.755 2.652
146 HB1 ALA 18 HB1 ALA 18 -0.112 2.792 0.648
147 HB2 ALA 18 HB2 ALA 18 0.390 3.641 2.123
148 HB3 ALA 18 HB3 ALA 18 1.520 2.541 1.302
149 H TYR 19 H TYR 19 2.008 0.140 1.623
150 HA TYR 19 HA TYR 19 0.908 -1.530 -0.358
151 HB2 TYR 19 HB2 TYR 19 3.388 -1.202 0.267
152 HB3 TYR 19 HB3 TYR 19 3.239 -2.062 1.525
153 HD1 TYR 19 HD1 TYR 19 3.003 -4.537 1.491
154 HD2 TYR 19 HD2 TYR 19 3.290 -2.240 -2.153
155 HE1 TYR 19 HE1 TYR 19 3.459 -6.624 0.204
156 HE2 TYR 19 HE2 TYR 19 3.754 -4.324 -3.429
157 HH TYR 19 HH TYR 19 4.022 -6.595 -3.334
158 H GLY 20 H GLY 20 1.112 -2.112 3.144
159 HA2 GLY 20 HA2 GLY 20 0.121 -4.751 3.210
160 HA3 GLY 20 HA3 GLY 20 0.080 -3.585 4.533
161 H LEU 21 H LEU 21 -1.714 -2.209 2.074
162 HA LEU 21 HA LEU 21 -4.105 -3.914 2.337
163 HB2 LEU 21 HB2 LEU 21 -5.490 -2.247 3.229
164 HB3 LEU 21 HB3 LEU 21 -4.209 -2.221 4.128
165 HG LEU 21 HG LEU 21 -3.400 -0.222 2.532
166 HD11 LEU 21 HD11 LEU 21 -5.376 -0.360 0.978
167 HD12 LEU 21 HD12 LEU 21 -5.307 1.177 1.839
168 HD13 LEU 21 HD13 LEU 21 -6.450 -0.078 2.359
169 HD21 LEU 21 HD21 LEU 21 -5.547 0.036 4.677
170 HD22 LEU 21 HD22 LEU 21 -4.481 1.343 4.107
171 HD23 LEU 21 HD23 LEU 21 -3.790 -0.053 4.945
172 H ABA 22 H ABU 22 -2.418 -1.345 0.569
173 HA ABA 22 HA ABU 22 -4.239 -1.366 -1.692
174 HB3 ABA 22 HB3 ABU 22 -2.439 -0.020 -2.770
175 HB2 ABA 22 HB2 ABU 22 -1.408 -0.284 -1.360
176 HG1 ABA 22 HG1 ABU 22 -4.133 1.114 -1.352
177 HG3 ABA 22 HG3 ABU 22 -2.552 1.922 -1.294
178 HG2 ABA 22 HG2 ABU 22 -3.078 0.915 0.064
179 H PHE 23 H PHE 23 -1.632 -3.434 -0.729
180 HA PHE 23 HA PHE 23 -1.941 -4.955 -3.295
181 HB2 PHE 23 HB2 PHE 23 0.572 -4.331 -1.833
182 HB3 PHE 23 HB3 PHE 23 0.470 -5.810 -2.302
183 HD1 PHE 23 HD1 PHE 23 0.246 -6.528 -4.663
184 HD2 PHE 23 HD2 PHE 23 0.859 -2.403 -3.561
185 HE1 PHE 23 HE1 PHE 23 1.025 -6.030 -6.968
186 HE2 PHE 23 HE2 PHE 23 1.644 -1.908 -5.870
187 HZ PHE 23 HZ PHE 23 1.731 -3.722 -7.572
188 H ARG 24 H ARG 24 -0.976 -5.295 0.149
189 HA ARG 24 HA ARG 24 -0.930 -7.121 1.513
190 HB2 ARG 24 HB2 ARG 24 -3.132 -7.737 2.259
191 HB3 ARG 24 HB3 ARG 24 -2.968 -6.164 2.114
192 HG2 ARG 24 HG2 ARG 24 -5.093 -6.494 1.193
193 HG3 ARG 24 HG3 ARG 24 -4.264 -6.133 -0.011
194 HD2 ARG 24 HD2 ARG 24 -4.091 -8.716 -0.558
195 HD3 ARG 24 HD3 ARG 24 -4.896 -9.027 0.722
196 HE ARG 24 HE ARG 24 -6.908 -8.226 -0.201
197 HH11 ARG 24 HH11 ARG 24 -4.303 -7.395 -2.423
198 HH12 ARG 24 HH12 ARG 24 -5.430 -7.094 -3.723
199 HH21 ARG 24 HH21 ARG 24 -8.234 -7.688 -1.804
200 HH22 ARG 24 HH22 ARG 24 -7.613 -7.265 -3.392
201 H LEU 25 H LEU 25 -0.097 -7.835 -1.087
202 HA LEU 25 HA LEU 25 -1.094 -10.350 -1.963
203 HB2 LEU 25 HB2 LEU 25 0.332 -8.549 -3.179
204 HB3 LEU 25 HB3 LEU 25 1.601 -8.987 -2.402
205 HG LEU 25 HG LEU 25 1.629 -11.242 -3.432
206 HD11 LEU 25 HD11 LEU 25 -0.774 -11.647 -3.785
207 HD12 LEU 25 HD12 LEU 25 0.081 -11.732 -5.326
208 HD13 LEU 25 HD13 LEU 25 -0.859 -10.280 -4.921
209 HD21 LEU 25 HD21 LEU 25 2.137 -10.515 -5.715
210 HD22 LEU 25 HD22 LEU 25 2.750 -9.345 -4.536
211 HD23 LEU 25 HD23 LEU 25 1.267 -8.988 -5.447
212 H NLE 26 H NLE 26 0.942 -9.614 0.652
213 HA NLE 26 HA NLE 26 1.525 -12.411 1.312
214 HB2 NLE 26 HB2 NLE 26 3.920 -11.942 1.680
215 HB3 NLE 26 HB3 NLE 26 3.460 -11.760 -0.010
216 HG2 NLE 26 HG2 NLE 26 3.360 -9.246 0.336
217 HG3 NLE 26 HG3 NLE 26 3.902 -9.498 1.996
218 HD2 NLE 26 HD2 NLE 26 5.780 -8.828 0.688
219 HD3 NLE 26 HD3 NLE 26 6.012 -10.526 1.119
220 HE1 NLE 26 HE1 NLE 26 5.352 -11.216 -1.157
221 HE2 NLE 26 HE2 NLE 26 4.948 -9.533 -1.572
222 HE3 NLE 26 HE3 NLE 26 6.631 -9.997 -1.251
223 H GLY 27 H GLY 27 2.186 -12.620 3.565
224 HA2 GLY 27 HA2 GLY 27 1.615 -10.287 5.351
225 HA3 GLY 27 HA3 GLY 27 0.596 -11.728 5.435
226 H ALA 28 H ALA 28 3.609 -12.997 4.875
227 HA ALA 28 HA ALA 28 4.063 -13.757 7.620
228 HB1 ALA 28 HB1 ALA 28 4.589 -15.191 5.677
229 HB2 ALA 28 HB2 ALA 28 5.829 -14.027 5.146
230 HB3 ALA 28 HB3 ALA 28 6.023 -14.905 6.677
231 H SER 29 H SER 29 4.990 -10.939 5.886
232 HA SER 29 HA SER 29 7.033 -10.162 7.931
233 HB2 SER 29 HB2 SER 29 7.532 -9.714 4.984
234 HB3 SER 29 HB3 SER 29 8.493 -9.363 6.140
235 HG SER 29 HG SER 29 8.721 -11.575 6.674
236 H GLY 30 H GLY 30 4.086 -9.225 7.111
237 HA2 GLY 30 HA2 GLY 30 4.425 -6.499 7.843
238 HA3 GLY 30 HA3 GLY 30 4.256 -6.577 6.090
239 HA PRO 31 HA PRO 31 0.059 -6.328 8.282
240 HB2 PRO 31 HB2 PRO 31 -0.666 -3.955 6.871
241 HB3 PRO 31 HB3 PRO 31 -0.558 -4.135 8.345
242 HG2 PRO 31 HG2 PRO 31 1.459 -2.665 7.254
243 HG3 PRO 31 HG3 PRO 31 1.590 -3.357 8.598
244 HD2 PRO 31 HD2 PRO 31 2.941 -4.490 6.233
245 HD3 PRO 31 HD3 PRO 31 3.343 -4.521 7.672
246 H ASN 32 H ASN 32 -1.833 -7.135 7.365
247 HA ASN 32 HA ASN 32 -2.116 -7.431 4.439
248 HB2 ASN 32 HB2 ASN 32 -1.675 -9.828 4.494
249 HB3 ASN 32 HB3 ASN 32 -0.437 -9.113 5.023
250 HD21 ASN 32 HD21 ASN 32 0.272 -9.315 7.253
251 HD22 ASN 32 HD22 ASN 32 -0.510 -10.492 8.294
252 H LYS 33 H LYS 33 -3.785 -6.538 6.916
253 HA LYS 33 HA LYS 33 -6.154 -8.356 6.586
254 HB2 LYS 33 HB2 LYS 33 -5.357 -6.984 9.125
255 HB3 LYS 33 HB3 LYS 33 -6.609 -7.882 8.998
256 HG2 LYS 33 HG2 LYS 33 -3.841 -9.019 8.841
257 HG3 LYS 33 HG3 LYS 33 -4.812 -9.145 10.037
258 HD2 LYS 33 HD2 LYS 33 -6.477 -10.359 8.347
259 HD3 LYS 33 HD3 LYS 33 -5.382 -10.345 7.293
260 HE2 LYS 33 HE2 LYS 33 -3.788 -11.584 8.991
261 HE3 LYS 33 HE3 LYS 33 -4.907 -11.597 10.032
262 HZ1 LYS 33 HZ1 LYS 33 -6.338 -12.919 8.552
263 HZ2 LYS 33 HZ2 LYS 33 -4.893 -13.652 8.741
264 HZ3 LYS 33 HZ3 LYS 33 -5.220 -12.854 7.357
265 H LYS 34 H LYS 34 -5.547 -5.760 5.220
266 HA LYS 34 HA LYS 34 -8.272 -4.599 5.478
267 HB2 LYS 34 HB2 LYS 34 -5.819 -2.844 5.462
268 HB3 LYS 34 HB3 LYS 34 -7.230 -2.288 5.186
269 HG2 LYS 34 HG2 LYS 34 -7.923 -3.197 7.571
270 HG3 LYS 34 HG3 LYS 34 -6.492 -3.622 7.818
271 HD2 LYS 34 HD2 LYS 34 -5.688 -1.201 7.344
272 HD3 LYS 34 HD3 LYS 34 -7.137 -0.740 7.046
273 HE2 LYS 34 HE2 LYS 34 -6.987 -0.201 9.387
274 HE3 LYS 34 HE3 LYS 34 -7.958 -1.375 9.325
275 HZ1 LYS 34 HZ1 LYS 34 -5.059 -1.750 9.898
276 HZ2 LYS 34 HZ2 LYS 34 -6.191 -2.932 9.970
277 HZ3 LYS 34 HZ3 LYS 34 -6.236 -1.690 11.024
278 H GLU 35 H GLU 35 -8.732 -3.162 3.585
279 HA GLU 35 HA GLU 35 -7.218 -3.731 1.099
280 HB2 GLU 35 HB2 GLU 35 -10.179 -4.245 1.134
281 HB3 GLU 35 HB3 GLU 35 -9.275 -4.320 -0.117
282 HG2 GLU 35 HG2 GLU 35 -7.925 -6.207 1.151
283 HG3 GLU 35 HG3 GLU 35 -8.968 -6.201 2.260
284 H SER 36 H SER 36 -7.679 -2.206 -0.600
285 HA SER 36 HA SER 36 -7.935 0.462 0.122
286 HB2 SER 36 HB2 SER 36 -8.535 -0.491 -2.684
287 HB3 SER 36 HB3 SER 36 -8.087 0.924 -2.266
288 HG SER 36 HG SER 36 -6.364 -0.448 -2.981
289 H ARG 37 H ARG 37 -9.474 2.075 -0.088
290 HA ARG 37 HA ARG 37 -12.343 1.395 -0.580
291 HB2 ARG 37 HB2 ARG 37 -11.568 2.977 1.845
292 HB3 ARG 37 HB3 ARG 37 -13.007 2.550 1.495
293 HG2 ARG 37 HG2 ARG 37 -10.943 0.592 2.428
294 HG3 ARG 37 HG3 ARG 37 -12.089 1.156 3.296
295 HD2 ARG 37 HD2 ARG 37 -13.828 0.005 1.853
296 HD3 ARG 37 HD3 ARG 37 -12.827 -0.324 0.747
297 HE ARG 37 HE ARG 37 -11.572 -1.542 2.881
298 HH11 ARG 37 HH11 ARG 37 -14.705 -1.893 1.351
299 HH12 ARG 37 HH12 ARG 37 -14.864 -3.557 1.844
300 HH21 ARG 37 HH21 ARG 37 -11.880 -3.647 3.547
301 HH22 ARG 37 HH22 ARG 37 -13.285 -4.526 3.024
302 H GLY 38 H GLY 38 -13.705 3.436 -0.406
303 HA2 GLY 38 HA2 GLY 38 -12.573 6.035 -0.899
304 HA3 GLY 38 HA3 GLY 38 -13.175 5.321 -2.398
305 H ARG 39 H ARG 39 -14.401 7.523 -1.845
306 HA ARG 39 HA ARG 39 -17.052 6.869 -0.579
307 HB2 ARG 39 HB2 ARG 39 -15.571 9.467 -0.246
308 HB3 ARG 39 HB3 ARG 39 -17.049 9.296 0.180
309 HG2 ARG 39 HG2 ARG 39 -16.260 7.289 1.707
310 HG3 ARG 39 HG3 ARG 39 -14.824 7.622 1.401
311 HD2 ARG 39 HD2 ARG 39 -15.135 10.032 2.287
312 HD3 ARG 39 HD3 ARG 39 -16.660 9.825 2.431
313 HE ARG 39 HE ARG 39 -15.397 7.734 3.946
314 HH11 ARG 39 HH11 ARG 39 -15.944 11.192 4.116
315 HH12 ARG 39 HH12 ARG 39 -15.930 11.202 5.860
316 HH21 ARG 39 HH21 ARG 39 -15.395 7.819 6.172
317 HH22 ARG 39 HH22 ARG 39 -15.620 9.341 6.984
318 H GLY 40 H GLY 40 -16.001 7.173 -3.522
319 HA2 GLY 40 HA2 GLY 40 -18.502 7.982 -4.617
320 HA3 GLY 40 HA3 GLY 40 -17.398 9.353 -4.730
321 HN1 NH2 41 H1 NHE 41 -15.115 7.144 -5.195
322 HN2 NH2 41 H2 NHE 41 -15.336 6.793 -6.894
Start of MODEL 14
1 H1 VAL 1 H1 VAL 1 17.636 12.339 -5.541
2 H2 VAL 1 H2 VAL 1 17.472 11.368 -6.843
3 H3 VAL 1 H3 VAL 1 18.944 11.576 -6.149
4 HA VAL 1 HA VAL 1 16.632 10.292 -4.847
5 HB VAL 1 HB VAL 1 18.015 8.200 -4.897
6 HG11 VAL 1 HG11 VAL 1 16.059 8.537 -6.351
7 HG12 VAL 1 HG12 VAL 1 17.109 9.222 -7.618
8 HG13 VAL 1 HG13 VAL 1 17.301 7.534 -7.109
9 HG21 VAL 1 HG21 VAL 1 20.234 9.171 -5.532
10 HG22 VAL 1 HG22 VAL 1 19.701 7.865 -6.594
11 HG23 VAL 1 HG23 VAL 1 19.581 9.539 -7.150
12 H VAL 2 H VAL 2 16.872 9.596 -2.762
13 HA VAL 2 HA VAL 2 19.439 10.087 -1.319
14 HB VAL 2 HB VAL 2 18.230 10.962 0.629
15 HG11 VAL 2 HG11 VAL 2 19.237 12.510 -1.018
16 HG12 VAL 2 HG12 VAL 2 17.663 12.642 -1.838
17 HG13 VAL 2 HG13 VAL 2 17.847 13.199 -0.165
18 HG21 VAL 2 HG21 VAL 2 15.961 10.023 0.215
19 HG22 VAL 2 HG22 VAL 2 15.928 11.769 0.475
20 HG23 VAL 2 HG23 VAL 2 15.765 11.126 -1.170
21 H PHE 3 H PHE 3 18.186 7.669 -2.433
22 HA PHE 3 HA PHE 3 17.359 5.632 -1.983
23 HB2 PHE 3 HB2 PHE 3 19.813 5.883 -0.629
24 HB3 PHE 3 HB3 PHE 3 18.994 5.288 0.479
25 HD1 PHE 3 HD1 PHE 3 17.986 2.973 0.363
26 HD2 PHE 3 HD2 PHE 3 20.169 4.658 -2.957
27 HE1 PHE 3 HE1 PHE 3 18.124 0.726 -0.693
28 HE2 PHE 3 HE2 PHE 3 20.310 2.410 -4.005
29 HZ PHE 3 HZ PHE 3 19.284 0.442 -2.878
30 H TYR 4 H TYR 4 15.660 7.598 -0.993
31 HA TYR 4 HA TYR 4 13.811 7.978 0.207
32 HB2 TYR 4 HB2 TYR 4 13.432 5.033 0.445
33 HB3 TYR 4 HB3 TYR 4 12.315 6.095 0.459
34 HD1 TYR 4 HD1 TYR 4 11.765 7.548 -1.567
35 HD2 TYR 4 HD2 TYR 4 14.473 4.192 -1.750
36 HE1 TYR 4 HE1 TYR 4 11.548 7.502 -4.054
37 HE2 TYR 4 HE2 TYR 4 14.258 4.151 -4.230
38 HH TYR 4 HH TYR 4 13.296 5.111 -6.075
39 H VAL 5 H VAL 5 16.324 7.707 1.960
40 HA VAL 5 HA VAL 5 15.529 6.691 4.487
41 HB VAL 5 HB VAL 5 17.264 8.018 5.504
42 HG11 VAL 5 HG11 VAL 5 19.172 7.145 4.289
43 HG12 VAL 5 HG12 VAL 5 17.857 5.957 4.277
44 HG13 VAL 5 HG13 VAL 5 18.198 6.921 2.824
45 HG21 VAL 5 HG21 VAL 5 18.709 9.535 4.160
46 HG22 VAL 5 HG22 VAL 5 17.527 9.474 2.841
47 HG23 VAL 5 HG23 VAL 5 17.088 10.176 4.412
48 H ALA 6 H ALA 6 14.784 9.851 3.059
49 HA ALA 6 HA ALA 6 13.661 11.043 5.414
50 HB1 ALA 6 HB1 ALA 6 12.627 12.604 3.799
51 HB2 ALA 6 HB2 ALA 6 14.338 12.331 3.431
52 HB3 ALA 6 HB3 ALA 6 13.081 11.537 2.455
53 H LEU 7 H LEU 7 12.103 9.206 2.730
54 HA LEU 7 HA LEU 7 9.449 9.202 3.736
55 HB2 LEU 7 HB2 LEU 7 10.596 8.244 1.491
56 HB3 LEU 7 HB3 LEU 7 10.735 6.907 2.211
57 HG LEU 7 HG LEU 7 8.046 8.294 1.800
58 HD11 LEU 7 HD11 LEU 7 9.129 7.464 -0.266
59 HD12 LEU 7 HD12 LEU 7 7.682 6.527 0.124
60 HD13 LEU 7 HD13 LEU 7 9.291 5.851 0.462
61 HD21 LEU 7 HD21 LEU 7 7.061 6.047 2.349
62 HD22 LEU 7 HD22 LEU 7 7.764 6.871 3.731
63 HD23 LEU 7 HD23 LEU 7 8.656 5.536 2.947
64 H THR 8 H THR 8 12.163 6.977 4.279
65 HA THR 8 HA THR 8 10.871 5.132 6.008
66 HB THR 8 HB THR 8 13.831 5.816 5.931
67 HG1 THR 8 HG1 THR 8 13.156 5.308 3.877
68 HG21 THR 8 HG21 THR 8 13.381 4.276 7.768
69 HG22 THR 8 HG22 THR 8 14.097 3.372 6.431
70 HG23 THR 8 HG23 THR 8 12.346 3.272 6.723
71 H ALA 9 H ALA 9 12.019 8.356 6.777
72 HA ALA 9 HA ALA 9 11.866 7.746 9.711
73 HB1 ALA 9 HB1 ALA 9 13.637 9.411 9.983
74 HB2 ALA 9 HB2 ALA 9 14.142 8.109 8.889
75 HB3 ALA 9 HB3 ALA 9 13.676 9.689 8.227
76 H VAL 10 H VAL 10 11.671 10.738 7.633
77 HA VAL 10 HA VAL 10 9.994 12.005 9.685
78 HB VAL 10 HB VAL 10 9.931 13.965 8.218
79 HG11 VAL 10 HG11 VAL 10 11.705 13.676 9.896
80 HG12 VAL 10 HG12 VAL 10 12.733 12.871 8.690
81 HG13 VAL 10 HG13 VAL 10 12.278 14.575 8.484
82 HG21 VAL 10 HG21 VAL 10 10.169 12.780 5.994
83 HG22 VAL 10 HG22 VAL 10 11.236 14.174 6.227
84 HG23 VAL 10 HG23 VAL 10 11.889 12.538 6.387
85 H NLE 11 H NLE 11 9.309 10.012 7.028
86 HA NLE 11 HA NLE 11 6.394 10.575 7.418
87 HB2 NLE 11 HB2 NLE 11 7.669 9.330 4.966
88 HB3 NLE 11 HB3 NLE 11 5.956 9.631 5.233
89 HG2 NLE 11 HG2 NLE 11 6.346 12.064 5.273
90 HG3 NLE 11 HG3 NLE 11 8.081 11.807 5.064
91 HD2 NLE 11 HD2 NLE 11 7.123 12.437 2.951
92 HD3 NLE 11 HD3 NLE 11 7.701 10.771 2.857
93 HE1 NLE 11 HE1 NLE 11 5.401 9.922 3.018
94 HE2 NLE 11 HE2 NLE 11 4.785 11.571 3.296
95 HE3 NLE 11 HE3 NLE 11 5.497 11.132 1.730
96 H VAL 12 H VAL 12 8.423 8.846 8.880
97 HA VAL 12 HA VAL 12 8.728 6.737 9.701
98 HB VAL 12 HB VAL 12 6.833 6.058 11.102
99 HG11 VAL 12 HG11 VAL 12 8.384 7.840 11.792
100 HG12 VAL 12 HG12 VAL 12 7.307 9.060 11.080
101 HG13 VAL 12 HG13 VAL 12 6.755 8.071 12.447
102 HG21 VAL 12 HG21 VAL 12 4.935 6.618 9.554
103 HG22 VAL 12 HG22 VAL 12 4.759 7.311 11.173
104 HG23 VAL 12 HG23 VAL 12 5.265 8.341 9.822
105 H ALA 13 H ALA 13 8.576 6.340 6.986
106 HA ALA 13 HA ALA 13 8.343 4.795 5.396
107 HB1 ALA 13 HB1 ALA 13 9.682 3.498 7.053
108 HB2 ALA 13 HB2 ALA 13 8.180 2.770 7.656
109 HB3 ALA 13 HB3 ALA 13 8.699 2.478 5.985
110 H VAL 14 H VAL 14 5.908 6.110 6.061
111 HA VAL 14 HA VAL 14 3.612 4.675 6.336
112 HB VAL 14 HB VAL 14 3.732 7.085 6.159
113 HG11 VAL 14 HG11 VAL 14 3.843 6.751 3.129
114 HG12 VAL 14 HG12 VAL 14 3.696 8.265 4.037
115 HG13 VAL 14 HG13 VAL 14 5.185 7.322 4.153
116 HG21 VAL 14 HG21 VAL 14 1.599 7.489 5.122
117 HG22 VAL 14 HG22 VAL 14 1.688 5.974 4.206
118 HG23 VAL 14 HG23 VAL 14 1.552 5.941 5.980
119 H ALA 15 H ALA 15 5.513 4.637 3.356
120 HA ALA 15 HA ALA 15 3.680 3.410 1.604
121 HB1 ALA 15 HB1 ALA 15 6.712 3.145 1.768
122 HB2 ALA 15 HB2 ALA 15 5.705 2.730 0.363
123 HB3 ALA 15 HB3 ALA 15 5.802 4.413 0.908
124 H LEU 16 H LEU 16 5.513 1.901 4.249
125 HA LEU 16 HA LEU 16 5.214 -0.855 3.485
126 HB2 LEU 16 HB2 LEU 16 6.682 0.114 5.353
127 HB3 LEU 16 HB3 LEU 16 5.442 0.528 6.197
128 HG LEU 16 HG LEU 16 4.679 -1.815 6.509
129 HD11 LEU 16 HD11 LEU 16 6.267 -3.658 5.961
130 HD12 LEU 16 HD12 LEU 16 7.260 -2.509 5.039
131 HD13 LEU 16 HD13 LEU 16 5.605 -2.895 4.509
132 HD21 LEU 16 HD21 LEU 16 6.478 -2.448 8.053
133 HD22 LEU 16 HD22 LEU 16 6.139 -0.713 8.148
134 HD23 LEU 16 HD23 LEU 16 7.576 -1.285 7.272
135 H TYR 17 H TYR 17 3.259 1.253 5.618
136 HA TYR 17 HA TYR 17 1.199 -0.704 6.120
137 HB2 TYR 17 HB2 TYR 17 0.893 2.246 6.541
138 HB3 TYR 17 HB3 TYR 17 0.036 1.147 7.195
139 HD1 TYR 17 HD1 TYR 17 0.981 -0.498 8.905
140 HD2 TYR 17 HD2 TYR 17 3.255 2.839 7.390
141 HE1 TYR 17 HE1 TYR 17 2.583 -0.710 10.810
142 HE2 TYR 17 HE2 TYR 17 4.845 2.632 9.285
143 HH TYR 17 HH TYR 17 5.387 1.492 11.197
144 H ALA 18 H ALA 18 1.545 1.946 3.741
145 HA ALA 18 HA ALA 18 -1.037 1.709 2.542
146 HB1 ALA 18 HB1 ALA 18 -0.009 2.853 0.642
147 HB2 ALA 18 HB2 ALA 18 0.535 3.591 2.161
148 HB3 ALA 18 HB3 ALA 18 1.615 2.500 1.262
149 H TYR 19 H TYR 19 2.083 0.074 1.569
150 HA TYR 19 HA TYR 19 0.947 -1.616 -0.409
151 HB2 TYR 19 HB2 TYR 19 3.455 -1.300 0.251
152 HB3 TYR 19 HB3 TYR 19 3.275 -2.216 1.460
153 HD1 TYR 19 HD1 TYR 19 2.971 -4.686 1.288
154 HD2 TYR 19 HD2 TYR 19 3.310 -2.201 -2.226
155 HE1 TYR 19 HE1 TYR 19 3.389 -6.709 -0.111
156 HE2 TYR 19 HE2 TYR 19 3.731 -4.221 -3.614
157 HH TYR 19 HH TYR 19 3.957 -6.496 -3.642
158 H GLY 20 H GLY 20 1.171 -2.073 3.117
159 HA2 GLY 20 HA2 GLY 20 0.086 -4.669 3.308
160 HA3 GLY 20 HA3 GLY 20 0.081 -3.441 4.576
161 H LEU 21 H LEU 21 -1.681 -2.071 2.107
162 HA LEU 21 HA LEU 21 -4.134 -3.674 2.439
163 HB2 LEU 21 HB2 LEU 21 -5.432 -1.897 3.337
164 HB3 LEU 21 HB3 LEU 21 -4.180 -2.073 4.260
165 HG LEU 21 HG LEU 21 -3.087 -0.098 2.813
166 HD11 LEU 21 HD11 LEU 21 -4.984 0.102 1.196
167 HD12 LEU 21 HD12 LEU 21 -4.788 1.563 2.162
168 HD13 LEU 21 HD13 LEU 21 -6.087 0.415 2.550
169 HD21 LEU 21 HD21 LEU 21 -5.258 0.305 4.911
170 HD22 LEU 21 HD22 LEU 21 -4.020 1.497 4.448
171 HD23 LEU 21 HD23 LEU 21 -3.535 -0.018 5.219
172 H ABA 22 H ABU 22 -2.285 -1.461 0.474
173 HA ABA 22 HA ABU 22 -4.265 -1.462 -1.710
174 HB3 ABA 22 HB3 ABU 22 -2.476 -0.239 -2.925
175 HB2 ABA 22 HB2 ABU 22 -1.405 -0.425 -1.534
176 HG1 ABA 22 HG1 ABU 22 -4.084 1.053 -1.553
177 HG3 ABA 22 HG3 ABU 22 -2.479 1.809 -1.596
178 HG2 ABA 22 HG2 ABU 22 -2.998 0.922 -0.153
179 H PHE 23 H PHE 23 -1.722 -3.547 -0.632
180 HA PHE 23 HA PHE 23 -1.942 -5.143 -3.153
181 HB2 PHE 23 HB2 PHE 23 0.504 -4.010 -1.995
182 HB3 PHE 23 HB3 PHE 23 0.656 -5.548 -2.086
183 HD1 PHE 23 HD1 PHE 23 0.088 -6.827 -4.289
184 HD2 PHE 23 HD2 PHE 23 0.798 -2.579 -4.062
185 HE1 PHE 23 HE1 PHE 23 0.678 -6.798 -6.701
186 HE2 PHE 23 HE2 PHE 23 1.385 -2.551 -6.477
187 HZ PHE 23 HZ PHE 23 1.329 -4.661 -7.798
188 H ARG 24 H ARG 24 -0.808 -5.270 0.249
189 HA ARG 24 HA ARG 24 -0.540 -7.021 1.687
190 HB2 ARG 24 HB2 ARG 24 -2.702 -7.801 2.491
191 HB3 ARG 24 HB3 ARG 24 -2.585 -6.217 2.357
192 HG2 ARG 24 HG2 ARG 24 -4.716 -6.583 1.489
193 HG3 ARG 24 HG3 ARG 24 -3.923 -6.205 0.260
194 HD2 ARG 24 HD2 ARG 24 -3.719 -8.802 -0.266
195 HD3 ARG 24 HD3 ARG 24 -4.528 -9.098 1.011
196 HE ARG 24 HE ARG 24 -6.544 -8.242 0.090
197 HH11 ARG 24 HH11 ARG 24 -3.943 -7.599 -2.206
198 HH12 ARG 24 HH12 ARG 24 -5.092 -7.276 -3.483
199 HH21 ARG 24 HH21 ARG 24 -7.848 -7.750 -1.450
200 HH22 ARG 24 HH22 ARG 24 -7.290 -7.349 -3.076
201 H LEU 25 H LEU 25 0.420 -7.814 -0.749
202 HA LEU 25 HA LEU 25 -0.467 -10.391 -1.585
203 HB2 LEU 25 HB2 LEU 25 0.923 -8.561 -2.822
204 HB3 LEU 25 HB3 LEU 25 2.188 -8.960 -2.023
205 HG LEU 25 HG LEU 25 2.245 -11.257 -2.985
206 HD11 LEU 25 HD11 LEU 25 -0.150 -11.660 -3.396
207 HD12 LEU 25 HD12 LEU 25 0.749 -11.785 -4.909
208 HD13 LEU 25 HD13 LEU 25 -0.197 -10.319 -4.566
209 HD21 LEU 25 HD21 LEU 25 2.813 -10.582 -5.273
210 HD22 LEU 25 HD22 LEU 25 3.411 -9.401 -4.097
211 HD23 LEU 25 HD23 LEU 25 1.955 -9.039 -5.050
212 H NLE 26 H NLE 26 1.710 -9.474 0.940
213 HA NLE 26 HA NLE 26 2.391 -12.261 1.624
214 HB2 NLE 26 HB2 NLE 26 4.783 -11.729 1.819
215 HB3 NLE 26 HB3 NLE 26 4.206 -11.573 0.162
216 HG2 NLE 26 HG2 NLE 26 4.102 -9.076 0.451
217 HG3 NLE 26 HG3 NLE 26 4.691 -9.264 2.105
218 HD2 NLE 26 HD2 NLE 26 6.524 -8.595 0.734
219 HD3 NLE 26 HD3 NLE 26 6.801 -10.271 1.216
220 HE1 NLE 26 HE1 NLE 26 6.102 -11.051 -1.022
221 HE2 NLE 26 HE2 NLE 26 5.675 -9.385 -1.486
222 HE3 NLE 26 HE3 NLE 26 7.366 -9.822 -1.176
223 H GLY 27 H GLY 27 3.105 -12.490 3.814
224 HA2 GLY 27 HA2 GLY 27 2.549 -10.202 5.660
225 HA3 GLY 27 HA3 GLY 27 1.495 -11.619 5.660
226 H ALA 28 H ALA 28 4.693 -12.675 5.170
227 HA ALA 28 HA ALA 28 4.871 -13.838 7.799
228 HB1 ALA 28 HB1 ALA 28 5.773 -14.892 5.757
229 HB2 ALA 28 HB2 ALA 28 6.958 -13.571 5.590
230 HB3 ALA 28 HB3 ALA 28 7.036 -14.672 6.981
231 H SER 29 H SER 29 5.952 -10.771 6.557
232 HA SER 29 HA SER 29 7.488 -10.155 9.049
233 HB2 SER 29 HB2 SER 29 8.677 -9.566 6.331
234 HB3 SER 29 HB3 SER 29 9.338 -9.290 7.701
235 HG SER 29 HG SER 29 9.408 -11.538 8.151
236 H GLY 30 H GLY 30 4.815 -9.118 7.694
237 HA2 GLY 30 HA2 GLY 30 5.121 -6.358 8.454
238 HA3 GLY 30 HA3 GLY 30 5.170 -6.516 6.700
239 HA PRO 31 HA PRO 31 0.810 -6.076 8.500
240 HB2 PRO 31 HB2 PRO 31 0.055 -3.702 7.495
241 HB3 PRO 31 HB3 PRO 31 0.909 -3.800 8.748
242 HG2 PRO 31 HG2 PRO 31 2.164 -3.070 6.152
243 HG3 PRO 31 HG3 PRO 31 2.415 -2.481 7.460
244 HD2 PRO 31 HD2 PRO 31 4.183 -4.453 6.956
245 HD3 PRO 31 HD3 PRO 31 3.739 -4.204 8.391
246 H ASN 32 H ASN 32 -0.854 -7.089 7.591
247 HA ASN 32 HA ASN 32 -1.339 -7.133 4.677
248 HB2 ASN 32 HB2 ASN 32 -0.764 -9.462 4.458
249 HB3 ASN 32 HB3 ASN 32 0.463 -8.794 5.081
250 HD21 ASN 32 HD21 ASN 32 1.031 -9.105 7.394
251 HD22 ASN 32 HD22 ASN 32 0.371 -10.510 8.203
252 H LYS 33 H LYS 33 -2.794 -6.607 7.427
253 HA LYS 33 HA LYS 33 -5.067 -8.542 7.169
254 HB2 LYS 33 HB2 LYS 33 -4.328 -7.068 9.665
255 HB3 LYS 33 HB3 LYS 33 -5.414 -8.169 9.574
256 HG2 LYS 33 HG2 LYS 33 -2.491 -8.775 9.378
257 HG3 LYS 33 HG3 LYS 33 -3.429 -9.139 10.545
258 HD2 LYS 33 HD2 LYS 33 -4.792 -10.614 8.808
259 HD3 LYS 33 HD3 LYS 33 -3.758 -10.287 7.742
260 HE2 LYS 33 HE2 LYS 33 -1.917 -11.197 9.519
261 HE3 LYS 33 HE3 LYS 33 -3.084 -11.707 10.349
262 HZ1 LYS 33 HZ1 LYS 33 -3.895 -13.039 8.425
263 HZ2 LYS 33 HZ2 LYS 33 -2.349 -13.408 8.789
264 HZ3 LYS 33 HZ3 LYS 33 -2.664 -12.455 7.504
265 H LYS 34 H LYS 34 -4.707 -5.877 5.801
266 HA LYS 34 HA LYS 34 -7.473 -4.864 6.233
267 HB2 LYS 34 HB2 LYS 34 -5.097 -3.004 6.048
268 HB3 LYS 34 HB3 LYS 34 -6.546 -2.514 5.883
269 HG2 LYS 34 HG2 LYS 34 -7.061 -3.463 8.274
270 HG3 LYS 34 HG3 LYS 34 -5.613 -3.887 8.435
271 HD2 LYS 34 HD2 LYS 34 -4.834 -1.463 8.053
272 HD3 LYS 34 HD3 LYS 34 -6.278 -0.987 7.775
273 HE2 LYS 34 HE2 LYS 34 -6.076 -0.518 10.140
274 HE3 LYS 34 HE3 LYS 34 -7.114 -1.633 10.024
275 HZ1 LYS 34 HZ1 LYS 34 -4.249 -2.196 10.608
276 HZ2 LYS 34 HZ2 LYS 34 -5.451 -3.309 10.630
277 HZ3 LYS 34 HZ3 LYS 34 -5.432 -2.105 11.726
278 H GLU 35 H GLU 35 -8.156 -3.500 4.392
279 HA GLU 35 HA GLU 35 -6.771 -3.931 1.816
280 HB2 GLU 35 HB2 GLU 35 -9.672 -4.683 2.011
281 HB3 GLU 35 HB3 GLU 35 -8.847 -4.644 0.702
282 HG2 GLU 35 HG2 GLU 35 -7.253 -6.435 1.847
283 HG3 GLU 35 HG3 GLU 35 -8.249 -6.568 2.983
284 H SER 36 H SER 36 -7.632 -2.522 0.124
285 HA SER 36 HA SER 36 -8.039 0.167 1.000
286 HB2 SER 36 HB2 SER 36 -8.453 -0.848 -1.826
287 HB3 SER 36 HB3 SER 36 -8.405 0.641 -1.419
288 HG SER 36 HG SER 36 -6.292 -1.156 -0.745
289 H ARG 37 H ARG 37 -9.771 1.538 0.951
290 HA ARG 37 HA ARG 37 -12.546 0.491 0.537
291 HB2 ARG 37 HB2 ARG 37 -11.884 2.156 2.932
292 HB3 ARG 37 HB3 ARG 37 -13.259 1.511 2.651
293 HG2 ARG 37 HG2 ARG 37 -10.871 -0.095 3.491
294 HG3 ARG 37 HG3 ARG 37 -12.060 0.287 4.403
295 HD2 ARG 37 HD2 ARG 37 -13.634 -1.131 2.935
296 HD3 ARG 37 HD3 ARG 37 -12.543 -1.363 1.896
297 HE ARG 37 HE ARG 37 -11.483 -2.207 4.446
298 HH11 ARG 37 HH11 ARG 37 -13.645 -3.294 1.910
299 HH12 ARG 37 HH12 ARG 37 -13.408 -4.974 2.302
300 HH21 ARG 37 HH21 ARG 37 -11.279 -4.370 4.929
301 HH22 ARG 37 HH22 ARG 37 -12.082 -5.559 3.947
302 H GLY 38 H GLY 38 -14.152 2.391 0.768
303 HA2 GLY 38 HA2 GLY 38 -13.292 5.078 0.189
304 HA3 GLY 38 HA3 GLY 38 -13.816 4.267 -1.287
305 H ARG 39 H ARG 39 -15.172 6.382 -0.783
306 HA ARG 39 HA ARG 39 -17.821 5.592 0.401
307 HB2 ARG 39 HB2 ARG 39 -16.478 8.265 0.779
308 HB3 ARG 39 HB3 ARG 39 -17.958 8.028 1.153
309 HG2 ARG 39 HG2 ARG 39 -17.206 6.096 2.731
310 HG3 ARG 39 HG3 ARG 39 -15.748 6.368 2.430
311 HD2 ARG 39 HD2 ARG 39 -15.957 8.786 3.294
312 HD3 ARG 39 HD3 ARG 39 -17.486 8.660 3.429
313 HE ARG 39 HE ARG 39 -16.578 6.507 4.979
314 HH11 ARG 39 HH11 ARG 39 -16.138 9.984 5.078
315 HH12 ARG 39 HH12 ARG 39 -15.973 10.004 6.811
316 HH21 ARG 39 HH21 ARG 39 -16.380 6.608 7.189
317 HH22 ARG 39 HH22 ARG 39 -16.110 8.140 7.969
318 H GLY 40 H GLY 40 -16.674 5.886 -2.476
319 HA2 GLY 40 HA2 GLY 40 -19.069 6.379 -3.793
320 HA3 GLY 40 HA3 GLY 40 -18.269 7.953 -3.755
321 HN1 NH2 41 H1 NHE 41 -15.504 6.649 -4.049
322 HN2 NH2 41 H2 NHE 41 -15.448 6.168 -5.731
Start of MODEL 15
1 H1 VAL 1 H1 VAL 1 16.974 10.527 -7.061
2 H2 VAL 1 H2 VAL 1 16.526 9.257 -7.987
3 H3 VAL 1 H3 VAL 1 18.087 9.419 -7.504
4 HA VAL 1 HA VAL 1 15.802 8.960 -5.700
5 HB VAL 1 HB VAL 1 16.892 6.750 -5.210
6 HG11 VAL 1 HG11 VAL 1 14.830 6.950 -6.532
7 HG12 VAL 1 HG12 VAL 1 15.791 7.067 -8.028
8 HG13 VAL 1 HG13 VAL 1 15.834 5.591 -7.048
9 HG21 VAL 1 HG21 VAL 1 19.121 7.141 -6.287
10 HG22 VAL 1 HG22 VAL 1 18.306 5.676 -6.839
11 HG23 VAL 1 HG23 VAL 1 18.324 7.104 -7.881
12 H VAL 2 H VAL 2 16.252 8.709 -3.514
13 HA VAL 2 HA VAL 2 18.976 9.429 -2.510
14 HB VAL 2 HB VAL 2 17.954 10.802 -0.737
15 HG11 VAL 2 HG11 VAL 2 18.844 11.848 -2.794
16 HG12 VAL 2 HG12 VAL 2 17.215 11.813 -3.506
17 HG13 VAL 2 HG13 VAL 2 17.532 12.778 -2.052
18 HG21 VAL 2 HG21 VAL 2 15.643 9.865 -0.730
19 HG22 VAL 2 HG22 VAL 2 15.662 11.623 -0.903
20 HG23 VAL 2 HG23 VAL 2 15.350 10.609 -2.321
21 H PHE 3 H PHE 3 17.670 6.865 -2.860
22 HA PHE 3 HA PHE 3 16.873 5.013 -1.897
23 HB2 PHE 3 HB2 PHE 3 19.434 5.452 -0.917
24 HB3 PHE 3 HB3 PHE 3 18.756 5.287 0.411
25 HD1 PHE 3 HD1 PHE 3 17.941 3.097 1.239
26 HD2 PHE 3 HD2 PHE 3 19.177 3.574 -2.865
27 HE1 PHE 3 HE1 PHE 3 17.866 0.631 0.925
28 HE2 PHE 3 HE2 PHE 3 19.102 1.109 -3.175
29 HZ PHE 3 HZ PHE 3 18.442 -0.364 -1.281
30 H TYR 4 H TYR 4 15.271 7.201 -1.221
31 HA TYR 4 HA TYR 4 13.495 7.821 0.010
32 HB2 TYR 4 HB2 TYR 4 13.129 4.949 0.713
33 HB3 TYR 4 HB3 TYR 4 12.012 6.000 0.596
34 HD1 TYR 4 HD1 TYR 4 11.470 7.183 -1.633
35 HD2 TYR 4 HD2 TYR 4 14.019 3.712 -1.340
36 HE1 TYR 4 HE1 TYR 4 11.178 6.757 -4.074
37 HE2 TYR 4 HE2 TYR 4 13.726 3.290 -3.776
38 HH TYR 4 HH TYR 4 12.750 3.991 -5.727
39 H VAL 5 H VAL 5 16.036 7.903 1.628
40 HA VAL 5 HA VAL 5 15.579 7.102 4.281
41 HB VAL 5 HB VAL 5 17.257 8.745 4.974
42 HG11 VAL 5 HG11 VAL 5 19.114 7.833 3.696
43 HG12 VAL 5 HG12 VAL 5 17.921 6.566 4.023
44 HG13 VAL 5 HG13 VAL 5 18.020 7.297 2.407
45 HG21 VAL 5 HG21 VAL 5 18.438 10.134 3.297
46 HG22 VAL 5 HG22 VAL 5 17.201 9.746 2.090
47 HG23 VAL 5 HG23 VAL 5 16.781 10.677 3.546
48 H ALA 6 H ALA 6 14.495 10.159 2.782
49 HA ALA 6 HA ALA 6 13.458 11.286 5.232
50 HB1 ALA 6 HB1 ALA 6 12.785 11.873 2.313
51 HB2 ALA 6 HB2 ALA 6 12.363 12.887 3.709
52 HB3 ALA 6 HB3 ALA 6 14.065 12.651 3.272
53 H LEU 7 H LEU 7 11.943 9.380 2.599
54 HA LEU 7 HA LEU 7 9.275 9.407 3.564
55 HB2 LEU 7 HB2 LEU 7 10.431 8.423 1.351
56 HB3 LEU 7 HB3 LEU 7 10.589 7.098 2.088
57 HG LEU 7 HG LEU 7 7.858 8.414 1.725
58 HD11 LEU 7 HD11 LEU 7 8.921 7.747 -0.402
59 HD12 LEU 7 HD12 LEU 7 7.529 6.724 -0.034
60 HD13 LEU 7 HD13 LEU 7 9.174 6.105 0.231
61 HD21 LEU 7 HD21 LEU 7 6.972 6.106 2.170
62 HD22 LEU 7 HD22 LEU 7 7.675 6.874 3.583
63 HD23 LEU 7 HD23 LEU 7 8.598 5.623 2.705
64 H THR 8 H THR 8 11.982 7.196 4.196
65 HA THR 8 HA THR 8 10.665 5.418 5.992
66 HB THR 8 HB THR 8 13.636 6.062 5.876
67 HG1 THR 8 HG1 THR 8 12.969 5.506 3.846
68 HG21 THR 8 HG21 THR 8 13.169 4.575 7.758
69 HG22 THR 8 HG22 THR 8 13.865 3.625 6.444
70 HG23 THR 8 HG23 THR 8 12.114 3.561 6.743
71 H ALA 9 H ALA 9 11.756 8.671 6.588
72 HA ALA 9 HA ALA 9 11.756 8.216 9.548
73 HB1 ALA 9 HB1 ALA 9 13.370 10.068 9.635
74 HB2 ALA 9 HB2 ALA 9 13.951 8.732 8.623
75 HB3 ALA 9 HB3 ALA 9 13.323 10.208 7.864
76 H VAL 10 H VAL 10 11.355 11.164 7.471
77 HA VAL 10 HA VAL 10 9.525 12.291 9.468
78 HB VAL 10 HB VAL 10 9.368 14.235 7.899
79 HG11 VAL 10 HG11 VAL 10 10.908 14.182 9.800
80 HG12 VAL 10 HG12 VAL 10 12.153 13.405 8.796
81 HG13 VAL 10 HG13 VAL 10 11.609 15.059 8.435
82 HG21 VAL 10 HG21 VAL 10 9.985 13.028 5.771
83 HG22 VAL 10 HG22 VAL 10 10.931 14.491 6.092
84 HG23 VAL 10 HG23 VAL 10 11.650 12.900 6.384
85 H NLE 11 H NLE 11 9.054 10.391 6.642
86 HA NLE 11 HA NLE 11 6.107 10.838 6.908
87 HB2 NLE 11 HB2 NLE 11 7.418 9.432 4.580
88 HB3 NLE 11 HB3 NLE 11 5.754 9.952 4.757
89 HG2 NLE 11 HG2 NLE 11 6.523 12.346 4.782
90 HG3 NLE 11 HG3 NLE 11 8.178 11.787 4.515
91 HD2 NLE 11 HD2 NLE 11 7.313 12.503 2.417
92 HD3 NLE 11 HD3 NLE 11 7.480 10.747 2.360
93 HE1 NLE 11 HE1 NLE 11 5.041 10.483 2.662
94 HE2 NLE 11 HE2 NLE 11 4.864 12.243 2.873
95 HE3 NLE 11 HE3 NLE 11 5.371 11.576 1.309
96 H VAL 12 H VAL 12 8.062 9.217 8.553
97 HA VAL 12 HA VAL 12 8.267 7.213 9.595
98 HB VAL 12 HB VAL 12 6.257 6.633 10.852
99 HG11 VAL 12 HG11 VAL 12 7.662 8.559 11.494
100 HG12 VAL 12 HG12 VAL 12 6.614 9.638 10.548
101 HG13 VAL 12 HG13 VAL 12 5.965 8.768 11.952
102 HG21 VAL 12 HG21 VAL 12 4.521 6.935 9.058
103 HG22 VAL 12 HG22 VAL 12 4.147 7.780 10.567
104 HG23 VAL 12 HG23 VAL 12 4.757 8.691 9.174
105 H ALA 13 H ALA 13 8.327 6.618 6.858
106 HA ALA 13 HA ALA 13 8.226 4.946 5.379
107 HB1 ALA 13 HB1 ALA 13 9.515 3.815 7.186
108 HB2 ALA 13 HB2 ALA 13 8.004 3.093 7.779
109 HB3 ALA 13 HB3 ALA 13 8.606 2.689 6.159
110 H VAL 14 H VAL 14 5.741 6.244 5.860
111 HA VAL 14 HA VAL 14 3.451 4.792 6.127
112 HB VAL 14 HB VAL 14 3.531 7.181 5.805
113 HG11 VAL 14 HG11 VAL 14 3.875 6.680 2.816
114 HG12 VAL 14 HG12 VAL 14 3.626 8.241 3.615
115 HG13 VAL 14 HG13 VAL 14 5.120 7.346 3.900
116 HG21 VAL 14 HG21 VAL 14 1.472 7.488 4.598
117 HG22 VAL 14 HG22 VAL 14 1.654 5.931 3.770
118 HG23 VAL 14 HG23 VAL 14 1.385 5.984 5.528
119 H ALA 15 H ALA 15 5.489 4.613 3.239
120 HA ALA 15 HA ALA 15 3.763 3.270 1.476
121 HB1 ALA 15 HB1 ALA 15 6.782 3.028 1.813
122 HB2 ALA 15 HB2 ALA 15 5.851 2.530 0.384
123 HB3 ALA 15 HB3 ALA 15 5.918 4.241 0.836
124 H LEU 16 H LEU 16 5.530 1.896 4.255
125 HA LEU 16 HA LEU 16 5.242 -0.890 3.614
126 HB2 LEU 16 HB2 LEU 16 6.666 0.150 5.476
127 HB3 LEU 16 HB3 LEU 16 5.411 0.616 6.262
128 HG LEU 16 HG LEU 16 4.615 -1.724 6.645
129 HD11 LEU 16 HD11 LEU 16 6.217 -3.582 6.256
130 HD12 LEU 16 HD12 LEU 16 7.275 -2.476 5.355
131 HD13 LEU 16 HD13 LEU 16 5.656 -2.877 4.734
132 HD21 LEU 16 HD21 LEU 16 6.344 -2.274 8.299
133 HD22 LEU 16 HD22 LEU 16 5.983 -0.541 8.301
134 HD23 LEU 16 HD23 LEU 16 7.468 -1.134 7.522
135 H TYR 17 H TYR 17 3.262 1.281 5.642
136 HA TYR 17 HA TYR 17 1.195 -0.640 6.201
137 HB2 TYR 17 HB2 TYR 17 0.887 2.323 6.496
138 HB3 TYR 17 HB3 TYR 17 0.051 1.254 7.217
139 HD1 TYR 17 HD1 TYR 17 0.963 -0.195 9.070
140 HD2 TYR 17 HD2 TYR 17 3.334 2.893 7.210
141 HE1 TYR 17 HE1 TYR 17 2.580 -0.275 10.969
142 HE2 TYR 17 HE2 TYR 17 4.940 2.810 9.096
143 HH TYR 17 HH TYR 17 5.467 1.848 11.108
144 H ALA 18 H ALA 18 1.516 1.955 3.759
145 HA ALA 18 HA ALA 18 -1.083 1.699 2.605
146 HB1 ALA 18 HB1 ALA 18 -0.079 2.887 0.703
147 HB2 ALA 18 HB2 ALA 18 0.429 3.618 2.237
148 HB3 ALA 18 HB3 ALA 18 1.549 2.572 1.336
149 H TYR 19 H TYR 19 2.050 0.120 1.585
150 HA TYR 19 HA TYR 19 0.903 -1.546 -0.419
151 HB2 TYR 19 HB2 TYR 19 3.421 -1.195 0.216
152 HB3 TYR 19 HB3 TYR 19 3.273 -2.155 1.392
153 HD1 TYR 19 HD1 TYR 19 3.024 -4.623 1.130
154 HD2 TYR 19 HD2 TYR 19 3.236 -1.998 -2.291
155 HE1 TYR 19 HE1 TYR 19 3.460 -6.582 -0.357
156 HE2 TYR 19 HE2 TYR 19 3.675 -3.954 -3.767
157 HH TYR 19 HH TYR 19 3.946 -6.220 -3.888
158 H GLY 20 H GLY 20 1.200 -2.028 3.097
159 HA2 GLY 20 HA2 GLY 20 0.138 -4.623 3.320
160 HA3 GLY 20 HA3 GLY 20 0.121 -3.380 4.573
161 H LEU 21 H LEU 21 -1.669 -2.085 2.060
162 HA LEU 21 HA LEU 21 -4.074 -3.742 2.457
163 HB2 LEU 21 HB2 LEU 21 -5.429 -2.008 3.290
164 HB3 LEU 21 HB3 LEU 21 -4.137 -1.975 4.169
165 HG LEU 21 HG LEU 21 -3.304 -0.076 2.448
166 HD11 LEU 21 HD11 LEU 21 -5.336 -0.229 0.971
167 HD12 LEU 21 HD12 LEU 21 -5.190 1.348 1.749
168 HD13 LEU 21 HD13 LEU 21 -6.353 0.159 2.367
169 HD21 LEU 21 HD21 LEU 21 -5.364 0.354 4.648
170 HD22 LEU 21 HD22 LEU 21 -4.280 1.597 3.982
171 HD23 LEU 21 HD23 LEU 21 -3.601 0.220 4.858
172 H ABA 22 H ABU 22 -2.429 -1.286 0.484
173 HA ABA 22 HA ABU 22 -4.336 -1.466 -1.708
174 HB3 ABA 22 HB3 ABU 22 -2.588 -0.188 -2.937
175 HB2 ABA 22 HB2 ABU 22 -1.497 -0.356 -1.561
176 HG1 ABA 22 HG1 ABU 22 -4.222 1.040 -1.516
177 HG3 ABA 22 HG3 ABU 22 -2.643 1.849 -1.600
178 HG2 ABA 22 HG2 ABU 22 -3.093 0.944 -0.146
179 H PHE 23 H PHE 23 -1.713 -3.464 -0.661
180 HA PHE 23 HA PHE 23 -1.957 -5.112 -3.142
181 HB2 PHE 23 HB2 PHE 23 0.512 -4.023 -1.950
182 HB3 PHE 23 HB3 PHE 23 0.625 -5.559 -2.088
183 HD1 PHE 23 HD1 PHE 23 0.289 -6.784 -4.280
184 HD2 PHE 23 HD2 PHE 23 0.593 -2.492 -4.017
185 HE1 PHE 23 HE1 PHE 23 0.911 -6.683 -6.683
186 HE2 PHE 23 HE2 PHE 23 1.215 -2.393 -6.424
187 HZ PHE 23 HZ PHE 23 1.379 -4.487 -7.756
188 H ARG 24 H ARG 24 -0.973 -5.126 0.300
189 HA ARG 24 HA ARG 24 -0.809 -6.796 1.843
190 HB2 ARG 24 HB2 ARG 24 -3.023 -7.600 2.487
191 HB3 ARG 24 HB3 ARG 24 -2.916 -6.017 2.316
192 HG2 ARG 24 HG2 ARG 24 -4.955 -6.430 1.280
193 HG3 ARG 24 HG3 ARG 24 -4.067 -6.089 0.113
194 HD2 ARG 24 HD2 ARG 24 -3.807 -8.703 -0.304
195 HD3 ARG 24 HD3 ARG 24 -4.719 -8.960 0.909
196 HE ARG 24 HE ARG 24 -6.654 -8.122 -0.193
197 HH11 ARG 24 HH11 ARG 24 -3.878 -7.593 -2.305
198 HH12 ARG 24 HH12 ARG 24 -4.922 -7.307 -3.678
199 HH21 ARG 24 HH21 ARG 24 -7.828 -7.666 -1.837
200 HH22 ARG 24 HH22 ARG 24 -7.149 -7.340 -3.434
201 H LEU 25 H LEU 25 0.419 -7.661 -0.396
202 HA LEU 25 HA LEU 25 -0.510 -10.201 -1.306
203 HB2 LEU 25 HB2 LEU 25 0.932 -8.346 -2.476
204 HB3 LEU 25 HB3 LEU 25 2.184 -8.833 -1.721
205 HG LEU 25 HG LEU 25 2.134 -11.085 -2.773
206 HD11 LEU 25 HD11 LEU 25 -0.270 -11.426 -3.124
207 HD12 LEU 25 HD12 LEU 25 0.556 -11.481 -4.680
208 HD13 LEU 25 HD13 LEU 25 -0.344 -10.021 -4.213
209 HD21 LEU 25 HD21 LEU 25 2.648 -10.355 -5.058
210 HD22 LEU 25 HD22 LEU 25 3.315 -9.222 -3.871
211 HD23 LEU 25 HD23 LEU 25 1.837 -8.801 -4.763
212 H NLE 26 H NLE 26 1.643 -9.392 1.288
213 HA NLE 26 HA NLE 26 2.054 -12.211 1.981
214 HB2 NLE 26 HB2 NLE 26 4.468 -12.045 2.180
215 HB3 NLE 26 HB3 NLE 26 3.967 -11.724 0.525
216 HG2 NLE 26 HG2 NLE 26 4.202 -9.230 1.013
217 HG3 NLE 26 HG3 NLE 26 4.812 -9.662 2.613
218 HD2 NLE 26 HD2 NLE 26 6.707 -9.199 1.266
219 HD3 NLE 26 HD3 NLE 26 6.679 -10.949 1.496
220 HE1 NLE 26 HE1 NLE 26 5.757 -11.242 -0.792
221 HE2 NLE 26 HE2 NLE 26 5.674 -9.475 -0.991
222 HE3 NLE 26 HE3 NLE 26 7.246 -10.284 -0.838
223 H GLY 27 H GLY 27 2.753 -12.490 4.183
224 HA2 GLY 27 HA2 GLY 27 2.339 -10.140 5.994
225 HA3 GLY 27 HA3 GLY 27 1.210 -11.498 6.000
226 H ALA 28 H ALA 28 4.406 -12.648 5.564
227 HA ALA 28 HA ALA 28 4.467 -13.901 8.148
228 HB1 ALA 28 HB1 ALA 28 5.464 -14.870 6.110
229 HB2 ALA 28 HB2 ALA 28 6.660 -13.550 6.057
230 HB3 ALA 28 HB3 ALA 28 6.669 -14.710 7.401
231 H SER 29 H SER 29 5.674 -10.806 7.067
232 HA SER 29 HA SER 29 6.989 -10.271 9.697
233 HB2 SER 29 HB2 SER 29 8.442 -9.638 7.122
234 HB3 SER 29 HB3 SER 29 8.967 -9.400 8.554
235 HG SER 29 HG SER 29 8.971 -11.667 8.952
236 H GLY 30 H GLY 30 4.472 -9.157 8.090
237 HA2 GLY 30 HA2 GLY 30 4.779 -6.394 8.869
238 HA3 GLY 30 HA3 GLY 30 4.985 -6.582 7.127
239 HA PRO 31 HA PRO 31 0.527 -5.925 8.555
240 HB2 PRO 31 HB2 PRO 31 -0.061 -3.561 7.423
241 HB3 PRO 31 HB3 PRO 31 0.715 -3.649 8.725
242 HG2 PRO 31 HG2 PRO 31 2.155 -3.080 6.181
243 HG3 PRO 31 HG3 PRO 31 2.349 -2.446 7.477
244 HD2 PRO 31 HD2 PRO 31 4.055 -4.509 7.166
245 HD3 PRO 31 HD3 PRO 31 3.532 -4.186 8.559
246 H ASN 32 H ASN 32 -1.156 -6.860 7.594
247 HA ASN 32 HA ASN 32 -1.507 -6.987 4.671
248 HB2 ASN 32 HB2 ASN 32 -1.043 -9.353 4.536
249 HB3 ASN 32 HB3 ASN 32 0.196 -8.717 5.168
250 HD21 ASN 32 HD21 ASN 32 0.673 -8.957 7.525
251 HD22 ASN 32 HD22 ASN 32 -0.048 -10.325 8.345
252 H LYS 33 H LYS 33 -3.084 -6.241 7.261
253 HA LYS 33 HA LYS 33 -5.338 -8.206 7.114
254 HB2 LYS 33 HB2 LYS 33 -4.676 -6.501 9.478
255 HB3 LYS 33 HB3 LYS 33 -5.748 -7.620 9.468
256 HG2 LYS 33 HG2 LYS 33 -2.818 -8.211 9.416
257 HG3 LYS 33 HG3 LYS 33 -3.799 -8.491 10.571
258 HD2 LYS 33 HD2 LYS 33 -5.081 -10.108 8.892
259 HD3 LYS 33 HD3 LYS 33 -3.993 -9.861 7.857
260 HE2 LYS 33 HE2 LYS 33 -2.260 -10.604 9.840
261 HE3 LYS 33 HE3 LYS 33 -3.487 -11.111 10.578
262 HZ1 LYS 33 HZ1 LYS 33 -2.790 -11.955 7.816
263 HZ2 LYS 33 HZ2 LYS 33 -4.084 -12.540 8.645
264 HZ3 LYS 33 HZ3 LYS 33 -2.566 -12.856 9.164
265 H LYS 34 H LYS 34 -4.986 -5.574 5.577
266 HA LYS 34 HA LYS 34 -7.802 -4.642 5.887
267 HB2 LYS 34 HB2 LYS 34 -5.468 -2.728 5.765
268 HB3 LYS 34 HB3 LYS 34 -6.904 -2.265 5.484
269 HG2 LYS 34 HG2 LYS 34 -7.588 -3.138 7.857
270 HG3 LYS 34 HG3 LYS 34 -6.156 -3.548 8.141
271 HD2 LYS 34 HD2 LYS 34 -5.351 -1.141 7.758
272 HD3 LYS 34 HD3 LYS 34 -6.757 -0.672 7.323
273 HE2 LYS 34 HE2 LYS 34 -6.777 -0.115 9.682
274 HE3 LYS 34 HE3 LYS 34 -7.815 -1.223 9.499
275 HZ1 LYS 34 HZ1 LYS 34 -5.033 -1.797 10.391
276 HZ2 LYS 34 HZ2 LYS 34 -6.246 -2.895 10.326
277 HZ3 LYS 34 HZ3 LYS 34 -6.323 -1.655 11.377
278 H GLU 35 H GLU 35 -8.455 -3.300 4.013
279 HA GLU 35 HA GLU 35 -6.989 -3.697 1.484
280 HB2 GLU 35 HB2 GLU 35 -9.876 -4.529 1.596
281 HB3 GLU 35 HB3 GLU 35 -9.032 -4.436 0.304
282 HG2 GLU 35 HG2 GLU 35 -7.405 -6.202 1.431
283 HG3 GLU 35 HG3 GLU 35 -8.408 -6.388 2.553
284 H SER 36 H SER 36 -7.829 -2.262 -0.237
285 HA SER 36 HA SER 36 -8.403 0.381 0.548
286 HB2 SER 36 HB2 SER 36 -9.014 -0.666 -2.221
287 HB3 SER 36 HB3 SER 36 -8.800 0.802 -1.812
288 HG SER 36 HG SER 36 -6.895 -0.226 -2.643
289 H ARG 37 H ARG 37 -10.241 1.678 0.484
290 HA ARG 37 HA ARG 37 -12.958 0.436 0.261
291 HB2 ARG 37 HB2 ARG 37 -12.280 2.263 2.535
292 HB3 ARG 37 HB3 ARG 37 -13.644 1.560 2.346
293 HG2 ARG 37 HG2 ARG 37 -11.175 0.072 3.157
294 HG3 ARG 37 HG3 ARG 37 -12.342 0.454 4.097
295 HD2 ARG 37 HD2 ARG 37 -13.922 -1.075 2.730
296 HD3 ARG 37 HD3 ARG 37 -12.840 -1.328 1.686
297 HE ARG 37 HE ARG 37 -11.872 -2.003 4.370
298 HH11 ARG 37 HH11 ARG 37 -13.512 -3.299 1.556
299 HH12 ARG 37 HH12 ARG 37 -13.139 -4.946 1.987
300 HH21 ARG 37 HH21 ARG 37 -11.485 -4.133 4.885
301 HH22 ARG 37 HH22 ARG 37 -12.012 -5.394 3.810
302 H GLY 38 H GLY 38 -14.674 2.257 0.515
303 HA2 GLY 38 HA2 GLY 38 -14.000 4.927 -0.413
304 HA3 GLY 38 HA3 GLY 38 -14.724 3.939 -1.684
305 H ARG 39 H ARG 39 -16.063 6.092 -1.160
306 HA ARG 39 HA ARG 39 -18.411 5.400 0.588
307 HB2 ARG 39 HB2 ARG 39 -17.018 8.069 0.505
308 HB3 ARG 39 HB3 ARG 39 -18.402 7.897 1.167
309 HG2 ARG 39 HG2 ARG 39 -17.366 6.057 2.714
310 HG3 ARG 39 HG3 ARG 39 -15.995 6.312 2.141
311 HD2 ARG 39 HD2 ARG 39 -16.083 8.786 2.845
312 HD3 ARG 39 HD3 ARG 39 -17.570 8.674 3.246
313 HE ARG 39 HE ARG 39 -16.292 6.652 4.763
314 HH11 ARG 39 HH11 ARG 39 -16.221 10.152 4.582
315 HH12 ARG 39 HH12 ARG 39 -15.849 10.326 6.275
316 HH21 ARG 39 HH21 ARG 39 -15.831 6.946 6.924
317 HH22 ARG 39 HH22 ARG 39 -15.635 8.553 7.561
318 H GLY 40 H GLY 40 -17.851 5.648 -2.534
319 HA2 GLY 40 HA2 GLY 40 -20.563 6.405 -3.191
320 HA3 GLY 40 HA3 GLY 40 -19.443 7.701 -3.610
321 HN1 NH2 41 H1 NHE 41 -17.392 5.315 -4.310
322 HN2 NH2 41 H2 NHE 41 -17.939 4.872 -5.910
Start of MODEL 16
1 H1 VAL 1 H1 VAL 1 19.536 9.290 -5.206
2 H2 VAL 1 H2 VAL 1 19.370 7.962 -6.144
3 H3 VAL 1 H3 VAL 1 20.715 8.165 -5.224
4 HA VAL 1 HA VAL 1 17.987 7.803 -4.167
5 HB VAL 1 HB VAL 1 18.795 5.633 -3.263
6 HG11 VAL 1 HG11 VAL 1 18.448 4.357 -5.278
7 HG12 VAL 1 HG12 VAL 1 17.361 5.752 -5.265
8 HG13 VAL 1 HG13 VAL 1 18.811 5.756 -6.302
9 HG21 VAL 1 HG21 VAL 1 21.265 5.959 -3.467
10 HG22 VAL 1 HG22 VAL 1 20.686 4.472 -4.221
11 HG23 VAL 1 HG23 VAL 1 21.109 5.855 -5.239
12 H VAL 2 H VAL 2 17.784 7.635 -1.908
13 HA VAL 2 HA VAL 2 20.122 8.444 -0.221
14 HB VAL 2 HB VAL 2 18.655 9.809 1.181
15 HG11 VAL 2 HG11 VAL 2 19.940 10.857 -0.659
16 HG12 VAL 2 HG12 VAL 2 18.514 10.723 -1.714
17 HG13 VAL 2 HG13 VAL 2 18.453 11.732 -0.256
18 HG21 VAL 2 HG21 VAL 2 16.453 8.762 0.712
19 HG22 VAL 2 HG22 VAL 2 16.425 10.505 0.446
20 HG23 VAL 2 HG23 VAL 2 16.497 9.411 -0.945
21 H PHE 3 H PHE 3 18.824 5.842 -0.892
22 HA PHE 3 HA PHE 3 17.770 4.045 -0.090
23 HB2 PHE 3 HB2 PHE 3 20.181 4.360 1.291
24 HB3 PHE 3 HB3 PHE 3 19.290 4.133 2.470
25 HD1 PHE 3 HD1 PHE 3 18.243 1.937 2.978
26 HD2 PHE 3 HD2 PHE 3 20.219 2.616 -0.795
27 HE1 PHE 3 HE1 PHE 3 18.126 -0.495 2.473
28 HE2 PHE 3 HE2 PHE 3 20.100 0.189 -1.297
29 HZ PHE 3 HZ PHE 3 19.051 -1.370 0.334
30 H TYR 4 H TYR 4 16.182 6.266 0.368
31 HA TYR 4 HA TYR 4 14.233 6.897 1.275
32 HB2 TYR 4 HB2 TYR 4 13.668 4.093 2.066
33 HB3 TYR 4 HB3 TYR 4 12.652 5.143 1.594
34 HD1 TYR 4 HD1 TYR 4 12.669 6.060 -0.828
35 HD2 TYR 4 HD2 TYR 4 15.007 2.656 0.426
36 HE1 TYR 4 HE1 TYR 4 12.996 5.398 -3.212
37 HE2 TYR 4 HE2 TYR 4 15.338 2.003 -1.951
38 HH TYR 4 HH TYR 4 14.916 2.517 -4.144
39 H VAL 5 H VAL 5 16.545 6.870 3.300
40 HA VAL 5 HA VAL 5 15.580 6.163 5.844
41 HB VAL 5 HB VAL 5 17.288 7.599 6.808
42 HG11 VAL 5 HG11 VAL 5 19.227 6.532 5.815
43 HG12 VAL 5 HG12 VAL 5 17.883 5.382 5.878
44 HG13 VAL 5 HG13 VAL 5 18.324 6.150 4.338
45 HG21 VAL 5 HG21 VAL 5 18.840 8.898 5.372
46 HG22 VAL 5 HG22 VAL 5 17.758 8.664 3.987
47 HG23 VAL 5 HG23 VAL 5 17.222 9.595 5.404
48 H ALA 6 H ALA 6 15.015 9.231 4.132
49 HA ALA 6 HA ALA 6 13.774 10.585 6.351
50 HB1 ALA 6 HB1 ALA 6 13.477 10.992 3.338
51 HB2 ALA 6 HB2 ALA 6 12.959 12.128 4.601
52 HB3 ALA 6 HB3 ALA 6 14.682 11.766 4.395
53 H LEU 7 H LEU 7 12.365 8.745 3.591
54 HA LEU 7 HA LEU 7 9.639 8.913 4.343
55 HB2 LEU 7 HB2 LEU 7 10.947 7.818 2.249
56 HB3 LEU 7 HB3 LEU 7 10.921 6.500 3.005
57 HG LEU 7 HG LEU 7 8.368 8.043 2.345
58 HD11 LEU 7 HD11 LEU 7 9.578 7.191 0.363
59 HD12 LEU 7 HD12 LEU 7 8.054 6.327 0.609
60 HD13 LEU 7 HD13 LEU 7 9.593 5.561 1.069
61 HD21 LEU 7 HD21 LEU 7 7.219 5.853 2.762
62 HD22 LEU 7 HD22 LEU 7 7.852 6.602 4.219
63 HD23 LEU 7 HD23 LEU 7 8.728 5.235 3.474
64 H THR 8 H THR 8 12.154 6.568 5.247
65 HA THR 8 HA THR 8 10.586 4.866 6.896
66 HB THR 8 HB THR 8 13.567 5.420 7.090
67 HG1 THR 8 HG1 THR 8 13.063 4.799 5.027
68 HG21 THR 8 HG21 THR 8 12.880 4.036 8.977
69 HG22 THR 8 HG22 THR 8 13.671 3.009 7.780
70 HG23 THR 8 HG23 THR 8 11.897 3.002 7.911
71 H ALA 9 H ALA 9 11.825 8.063 7.658
72 HA ALA 9 HA ALA 9 11.343 7.588 10.579
73 HB1 ALA 9 HB1 ALA 9 13.158 9.181 10.966
74 HB2 ALA 9 HB2 ALA 9 13.703 7.810 9.979
75 HB3 ALA 9 HB3 ALA 9 13.385 9.379 9.214
76 H VAL 10 H VAL 10 11.481 10.476 8.354
77 HA VAL 10 HA VAL 10 9.654 11.915 10.151
78 HB VAL 10 HB VAL 10 9.786 13.773 8.544
79 HG11 VAL 10 HG11 VAL 10 11.336 13.591 10.440
80 HG12 VAL 10 HG12 VAL 10 12.482 12.677 9.436
81 HG13 VAL 10 HG13 VAL 10 12.101 14.367 9.044
82 HG21 VAL 10 HG21 VAL 10 10.270 12.419 6.456
83 HG22 VAL 10 HG22 VAL 10 11.319 13.821 6.716
84 HG23 VAL 10 HG23 VAL 10 11.926 12.200 7.073
85 H NLE 11 H NLE 11 9.172 9.756 7.586
86 HA NLE 11 HA NLE 11 6.255 10.398 7.681
87 HB2 NLE 11 HB2 NLE 11 7.652 9.093 5.326
88 HB3 NLE 11 HB3 NLE 11 5.954 9.528 5.470
89 HG2 NLE 11 HG2 NLE 11 6.602 11.947 5.609
90 HG3 NLE 11 HG3 NLE 11 8.293 11.477 5.392
91 HD2 NLE 11 HD2 NLE 11 7.505 12.211 3.279
92 HD3 NLE 11 HD3 NLE 11 7.709 10.462 3.178
93 HE1 NLE 11 HE1 NLE 11 5.264 10.148 3.386
94 HE2 NLE 11 HE2 NLE 11 5.047 11.899 3.626
95 HE3 NLE 11 HE3 NLE 11 5.626 11.273 2.069
96 H VAL 12 H VAL 12 8.110 8.631 9.303
97 HA VAL 12 HA VAL 12 8.303 6.503 10.130
98 HB VAL 12 HB VAL 12 6.291 5.891 11.392
99 HG11 VAL 12 HG11 VAL 12 7.855 7.616 12.192
100 HG12 VAL 12 HG12 VAL 12 6.871 8.873 11.413
101 HG13 VAL 12 HG13 VAL 12 6.195 7.900 12.735
102 HG21 VAL 12 HG21 VAL 12 4.906 8.230 10.005
103 HG22 VAL 12 HG22 VAL 12 4.530 6.518 9.715
104 HG23 VAL 12 HG23 VAL 12 4.265 7.222 11.317
105 H ALA 13 H ALA 13 8.347 6.081 7.426
106 HA ALA 13 HA ALA 13 8.236 4.504 5.856
107 HB1 ALA 13 HB1 ALA 13 9.302 3.166 7.671
108 HB2 ALA 13 HB2 ALA 13 7.703 2.528 8.101
109 HB3 ALA 13 HB3 ALA 13 8.396 2.185 6.506
110 H VAL 14 H VAL 14 5.781 5.944 6.301
111 HA VAL 14 HA VAL 14 3.411 4.614 6.305
112 HB VAL 14 HB VAL 14 3.661 7.023 6.158
113 HG11 VAL 14 HG11 VAL 14 4.073 6.691 3.153
114 HG12 VAL 14 HG12 VAL 14 3.897 8.206 4.049
115 HG13 VAL 14 HG13 VAL 14 5.323 7.200 4.315
116 HG21 VAL 14 HG21 VAL 14 1.671 7.527 4.898
117 HG22 VAL 14 HG22 VAL 14 1.786 6.005 3.995
118 HG23 VAL 14 HG23 VAL 14 1.461 5.985 5.743
119 H ALA 15 H ALA 15 5.590 4.545 3.503
120 HA ALA 15 HA ALA 15 3.851 3.423 1.585
121 HB1 ALA 15 HB1 ALA 15 6.854 3.046 1.966
122 HB2 ALA 15 HB2 ALA 15 5.941 2.697 0.483
123 HB3 ALA 15 HB3 ALA 15 6.057 4.364 1.072
124 H LEU 16 H LEU 16 5.562 1.764 4.254
125 HA LEU 16 HA LEU 16 5.116 -0.944 3.361
126 HB2 LEU 16 HB2 LEU 16 6.689 -0.201 5.225
127 HB3 LEU 16 HB3 LEU 16 5.517 0.296 6.118
128 HG LEU 16 HG LEU 16 4.549 -1.956 6.415
129 HD11 LEU 16 HD11 LEU 16 5.863 -3.947 5.707
130 HD12 LEU 16 HD12 LEU 16 6.937 -2.892 4.763
131 HD13 LEU 16 HD13 LEU 16 5.221 -3.058 4.324
132 HD21 LEU 16 HD21 LEU 16 6.347 -2.850 7.817
133 HD22 LEU 16 HD22 LEU 16 6.231 -1.091 7.984
134 HD23 LEU 16 HD23 LEU 16 7.530 -1.801 7.000
135 H TYR 17 H TYR 17 3.277 1.242 5.502
136 HA TYR 17 HA TYR 17 1.198 -0.694 6.065
137 HB2 TYR 17 HB2 TYR 17 1.020 2.242 6.636
138 HB3 TYR 17 HB3 TYR 17 0.155 1.153 7.274
139 HD1 TYR 17 HD1 TYR 17 1.107 -0.656 8.810
140 HD2 TYR 17 HD2 TYR 17 3.475 2.662 7.395
141 HE1 TYR 17 HE1 TYR 17 2.839 -1.139 10.542
142 HE2 TYR 17 HE2 TYR 17 5.194 2.178 9.113
143 HH TYR 17 HH TYR 17 5.822 0.827 10.851
144 H ALA 18 H ALA 18 1.518 1.990 3.734
145 HA ALA 18 HA ALA 18 -1.103 1.783 2.580
146 HB1 ALA 18 HB1 ALA 18 -0.055 2.912 0.657
147 HB2 ALA 18 HB2 ALA 18 0.433 3.674 2.183
148 HB3 ALA 18 HB3 ALA 18 1.559 2.599 1.326
149 H TYR 19 H TYR 19 2.017 0.182 1.575
150 HA TYR 19 HA TYR 19 0.879 -1.521 -0.392
151 HB2 TYR 19 HB2 TYR 19 3.387 -1.115 0.271
152 HB3 TYR 19 HB3 TYR 19 3.252 -2.106 1.420
153 HD1 TYR 19 HD1 TYR 19 3.102 -4.567 1.099
154 HD2 TYR 19 HD2 TYR 19 3.208 -1.854 -2.259
155 HE1 TYR 19 HE1 TYR 19 3.647 -6.465 -0.429
156 HE2 TYR 19 HE2 TYR 19 3.751 -3.750 -3.776
157 HH TYR 19 HH TYR 19 4.161 -5.992 -3.943
158 H GLY 20 H GLY 20 1.171 -1.984 3.125
159 HA2 GLY 20 HA2 GLY 20 0.166 -4.585 3.405
160 HA3 GLY 20 HA3 GLY 20 0.076 -3.298 4.611
161 H LEU 21 H LEU 21 -1.691 -2.069 2.109
162 HA LEU 21 HA LEU 21 -4.070 -3.781 2.436
163 HB2 LEU 21 HB2 LEU 21 -5.477 -2.041 3.233
164 HB3 LEU 21 HB3 LEU 21 -4.244 -2.107 4.189
165 HG LEU 21 HG LEU 21 -3.236 -0.143 2.640
166 HD11 LEU 21 HD11 LEU 21 -5.176 -0.144 1.040
167 HD12 LEU 21 HD12 LEU 21 -5.012 1.384 1.905
168 HD13 LEU 21 HD13 LEU 21 -6.257 0.217 2.396
169 HD21 LEU 21 HD21 LEU 21 -5.413 0.241 4.735
170 HD22 LEU 21 HD22 LEU 21 -4.243 1.474 4.205
171 HD23 LEU 21 HD23 LEU 21 -3.673 0.026 5.043
172 H ABA 22 H ABU 22 -2.396 -1.326 0.505
173 HA ABA 22 HA ABU 22 -4.249 -1.507 -1.735
174 HB3 ABA 22 HB3 ABU 22 -2.409 -0.330 -2.949
175 HB2 ABA 22 HB2 ABU 22 -1.386 -0.477 -1.521
176 HG1 ABA 22 HG1 ABU 22 -2.442 1.756 -1.670
177 HG3 ABA 22 HG3 ABU 22 -3.037 0.905 -0.233
178 HG2 ABA 22 HG2 ABU 22 -4.055 1.012 -1.685
179 H PHE 23 H PHE 23 -1.656 -3.518 -0.595
180 HA PHE 23 HA PHE 23 -1.835 -5.208 -3.059
181 HB2 PHE 23 HB2 PHE 23 0.574 -4.005 -1.883
182 HB3 PHE 23 HB3 PHE 23 0.745 -5.533 -1.923
183 HD1 PHE 23 HD1 PHE 23 0.876 -6.871 -3.974
184 HD2 PHE 23 HD2 PHE 23 0.231 -2.612 -4.114
185 HE1 PHE 23 HE1 PHE 23 1.503 -6.858 -6.376
186 HE2 PHE 23 HE2 PHE 23 0.857 -2.600 -6.521
187 HZ PHE 23 HZ PHE 23 1.499 -4.721 -7.652
188 H ARG 24 H ARG 24 -0.941 -5.169 0.406
189 HA ARG 24 HA ARG 24 -0.781 -6.834 1.967
190 HB2 ARG 24 HB2 ARG 24 -3.000 -7.682 2.534
191 HB3 ARG 24 HB3 ARG 24 -2.924 -6.099 2.359
192 HG2 ARG 24 HG2 ARG 24 -4.913 -6.569 1.251
193 HG3 ARG 24 HG3 ARG 24 -3.989 -6.199 0.118
194 HD2 ARG 24 HD2 ARG 24 -3.642 -8.813 -0.282
195 HD3 ARG 24 HD3 ARG 24 -4.617 -9.083 0.880
196 HE ARG 24 HE ARG 24 -6.497 -8.203 -0.326
197 HH11 ARG 24 HH11 ARG 24 -3.610 -7.844 -2.319
198 HH12 ARG 24 HH12 ARG 24 -4.579 -7.676 -3.765
199 HH21 ARG 24 HH21 ARG 24 -7.575 -7.855 -2.047
200 HH22 ARG 24 HH22 ARG 24 -6.817 -7.663 -3.631
201 H LEU 25 H LEU 25 0.550 -7.690 -0.205
202 HA LEU 25 HA LEU 25 -0.295 -10.129 -1.312
203 HB2 LEU 25 HB2 LEU 25 1.514 -8.324 -2.057
204 HB3 LEU 25 HB3 LEU 25 2.549 -9.045 -1.174
205 HG LEU 25 HG LEU 25 2.283 -11.210 -2.452
206 HD11 LEU 25 HD11 LEU 25 -0.010 -10.946 -3.323
207 HD12 LEU 25 HD12 LEU 25 1.128 -11.099 -4.662
208 HD13 LEU 25 HD13 LEU 25 0.482 -9.499 -4.232
209 HD21 LEU 25 HD21 LEU 25 3.433 -10.411 -4.468
210 HD22 LEU 25 HD22 LEU 25 4.030 -9.573 -3.027
211 HD23 LEU 25 HD23 LEU 25 2.906 -8.747 -4.127
212 H NLE 26 H NLE 26 1.629 -9.591 1.554
213 HA NLE 26 HA NLE 26 1.749 -12.436 2.237
214 HB2 NLE 26 HB2 NLE 26 4.182 -12.495 2.458
215 HB3 NLE 26 HB3 NLE 26 3.707 -12.165 0.799
216 HG2 NLE 26 HG2 NLE 26 4.137 -9.668 1.291
217 HG3 NLE 26 HG3 NLE 26 4.791 -10.182 2.848
218 HD2 NLE 26 HD2 NLE 26 6.643 -9.865 1.405
219 HD3 NLE 26 HD3 NLE 26 6.464 -11.615 1.582
220 HE1 NLE 26 HE1 NLE 26 6.950 -10.916 -0.764
221 HE2 NLE 26 HE2 NLE 26 5.383 -11.733 -0.654
222 HE3 NLE 26 HE3 NLE 26 5.456 -9.960 -0.787
223 H GLY 27 H GLY 27 2.465 -12.779 4.443
224 HA2 GLY 27 HA2 GLY 27 2.156 -10.392 6.238
225 HA3 GLY 27 HA3 GLY 27 1.058 -11.771 6.313
226 H ALA 28 H ALA 28 4.224 -12.917 5.765
227 HA ALA 28 HA ALA 28 4.447 -14.073 8.381
228 HB1 ALA 28 HB1 ALA 28 6.628 -14.861 7.554
229 HB2 ALA 28 HB2 ALA 28 5.367 -15.090 6.329
230 HB3 ALA 28 HB3 ALA 28 6.529 -13.748 6.173
231 H SER 29 H SER 29 5.577 -11.012 7.115
232 HA SER 29 HA SER 29 6.899 -10.312 9.701
233 HB2 SER 29 HB2 SER 29 8.338 -9.803 7.089
234 HB3 SER 29 HB3 SER 29 8.862 -9.466 8.507
235 HG SER 29 HG SER 29 8.910 -11.696 9.047
236 H GLY 30 H GLY 30 4.339 -9.357 8.122
237 HA2 GLY 30 HA2 GLY 30 4.620 -6.546 8.714
238 HA3 GLY 30 HA3 GLY 30 4.749 -6.833 6.982
239 HA PRO 31 HA PRO 31 0.331 -6.174 8.553
240 HB2 PRO 31 HB2 PRO 31 -0.299 -3.833 7.401
241 HB3 PRO 31 HB3 PRO 31 0.500 -3.897 8.694
242 HG2 PRO 31 HG2 PRO 31 1.894 -3.333 6.125
243 HG3 PRO 31 HG3 PRO 31 2.108 -2.694 7.413
244 HD2 PRO 31 HD2 PRO 31 3.820 -4.745 7.082
245 HD3 PRO 31 HD3 PRO 31 3.318 -4.417 8.484
246 H ASN 32 H ASN 32 -1.362 -7.151 7.642
247 HA ASN 32 HA ASN 32 -1.641 -7.466 4.706
248 HB2 ASN 32 HB2 ASN 32 -1.152 -9.833 4.817
249 HB3 ASN 32 HB3 ASN 32 0.042 -9.127 5.445
250 HD21 ASN 32 HD21 ASN 32 0.520 -9.269 7.759
251 HD22 ASN 32 HD22 ASN 32 -0.338 -10.456 8.728
252 H LYS 33 H LYS 33 -3.336 -6.784 7.406
253 HA LYS 33 HA LYS 33 -5.623 -8.652 6.923
254 HB2 LYS 33 HB2 LYS 33 -5.107 -7.062 9.403
255 HB3 LYS 33 HB3 LYS 33 -6.254 -8.088 9.264
256 HG2 LYS 33 HG2 LYS 33 -3.388 -8.950 9.349
257 HG3 LYS 33 HG3 LYS 33 -4.412 -9.089 10.499
258 HD2 LYS 33 HD2 LYS 33 -5.848 -10.593 8.840
259 HD3 LYS 33 HD3 LYS 33 -4.729 -10.515 7.822
260 HE2 LYS 33 HE2 LYS 33 -3.065 -11.444 9.669
261 HE3 LYS 33 HE3 LYS 33 -4.234 -11.551 10.648
262 HZ1 LYS 33 HZ1 LYS 33 -4.213 -12.962 8.033
263 HZ2 LYS 33 HZ2 LYS 33 -5.397 -13.111 9.156
264 HZ3 LYS 33 HZ3 LYS 33 -3.889 -13.645 9.479
265 H LYS 34 H LYS 34 -5.072 -5.953 5.540
266 HA LYS 34 HA LYS 34 -7.837 -4.833 5.787
267 HB2 LYS 34 HB2 LYS 34 -5.320 -3.159 5.883
268 HB3 LYS 34 HB3 LYS 34 -6.670 -2.528 5.520
269 HG2 LYS 34 HG2 LYS 34 -7.666 -3.363 7.752
270 HG3 LYS 34 HG3 LYS 34 -6.373 -4.057 8.138
271 HD2 LYS 34 HD2 LYS 34 -5.090 -1.876 8.113
272 HD3 LYS 34 HD3 LYS 34 -6.252 -1.089 7.476
273 HE2 LYS 34 HE2 LYS 34 -6.537 -0.625 9.853
274 HE3 LYS 34 HE3 LYS 34 -7.782 -1.381 9.372
275 HZ1 LYS 34 HZ1 LYS 34 -5.510 -2.765 10.707
276 HZ2 LYS 34 HZ2 LYS 34 -6.941 -3.461 10.313
277 HZ3 LYS 34 HZ3 LYS 34 -6.886 -2.291 11.446
278 H GLU 35 H GLU 35 -8.418 -3.440 4.001
279 HA GLU 35 HA GLU 35 -6.941 -3.694 1.472
280 HB2 GLU 35 HB2 GLU 35 -9.794 -4.626 1.512
281 HB3 GLU 35 HB3 GLU 35 -8.960 -4.406 0.223
282 HG2 GLU 35 HG2 GLU 35 -7.258 -6.174 1.193
283 HG3 GLU 35 HG3 GLU 35 -8.232 -6.484 2.321
284 H SER 36 H SER 36 -7.544 -2.123 -0.078
285 HA SER 36 HA SER 36 -8.035 0.427 0.802
286 HB2 SER 36 HB2 SER 36 -8.577 -0.361 -2.060
287 HB3 SER 36 HB3 SER 36 -8.213 1.045 -1.539
288 HG SER 36 HG SER 36 -6.391 -0.077 -2.328
289 H ARG 37 H ARG 37 -9.648 1.958 0.614
290 HA ARG 37 HA ARG 37 -12.478 1.174 0.087
291 HB2 ARG 37 HB2 ARG 37 -11.840 2.775 2.528
292 HB3 ARG 37 HB3 ARG 37 -13.225 2.208 2.171
293 HG2 ARG 37 HG2 ARG 37 -10.975 0.464 3.111
294 HG3 ARG 37 HG3 ARG 37 -12.174 0.899 3.978
295 HD2 ARG 37 HD2 ARG 37 -13.773 -0.474 2.650
296 HD3 ARG 37 HD3 ARG 37 -12.875 -0.551 1.416
297 HE ARG 37 HE ARG 37 -11.193 -1.748 3.206
298 HH11 ARG 37 HH11 ARG 37 -14.429 -2.443 2.064
299 HH12 ARG 37 HH12 ARG 37 -14.287 -4.144 2.417
300 HH21 ARG 37 HH21 ARG 37 -11.141 -3.893 3.776
301 HH22 ARG 37 HH22 ARG 37 -12.455 -4.943 3.337
302 H GLY 38 H GLY 38 -13.890 3.282 0.328
303 HA2 GLY 38 HA2 GLY 38 -12.681 5.824 -0.349
304 HA3 GLY 38 HA3 GLY 38 -13.346 5.030 -1.776
305 H ARG 39 H ARG 39 -14.441 7.283 -1.447
306 HA ARG 39 HA ARG 39 -17.069 6.967 -0.014
307 HB2 ARG 39 HB2 ARG 39 -15.385 9.462 -0.157
308 HB3 ARG 39 HB3 ARG 39 -16.866 9.529 0.261
309 HG2 ARG 39 HG2 ARG 39 -16.350 7.768 2.137
310 HG3 ARG 39 HG3 ARG 39 -14.883 7.807 1.801
311 HD2 ARG 39 HD2 ARG 39 -14.754 10.324 2.280
312 HD3 ARG 39 HD3 ARG 39 -16.291 10.449 2.348
313 HE ARG 39 HE ARG 39 -15.561 8.465 4.287
314 HH11 ARG 39 HH11 ARG 39 -15.324 11.932 3.828
315 HH12 ARG 39 HH12 ARG 39 -15.410 12.256 5.539
316 HH21 ARG 39 HH21 ARG 39 -15.682 8.953 6.455
317 HH22 ARG 39 HH22 ARG 39 -15.601 10.608 6.980
318 H GLY 40 H GLY 40 -15.975 7.003 -3.076
319 HA2 GLY 40 HA2 GLY 40 -18.581 7.700 -4.157
320 HA3 GLY 40 HA3 GLY 40 -17.377 8.939 -4.510
321 HN1 NH2 41 H1 NHE 41 -15.969 5.744 -4.484
322 HN2 NH2 41 H2 NHE 41 -15.985 5.531 -6.222
Start of MODEL 17
1 H1 VAL 1 H1 VAL 1 19.306 8.956 -6.576
2 H2 VAL 1 H2 VAL 1 18.937 7.505 -7.233
3 H3 VAL 1 H3 VAL 1 20.330 7.702 -6.386
4 HA VAL 1 HA VAL 1 17.614 7.913 -5.252
5 HB VAL 1 HB VAL 1 18.105 5.871 -3.979
6 HG11 VAL 1 HG11 VAL 1 17.689 4.261 -5.706
7 HG12 VAL 1 HG12 VAL 1 16.799 5.745 -6.069
8 HG13 VAL 1 HG13 VAL 1 18.290 5.351 -6.967
9 HG21 VAL 1 HG21 VAL 1 20.602 5.869 -4.056
10 HG22 VAL 1 HG22 VAL 1 19.883 4.338 -4.561
11 HG23 VAL 1 HG23 VAL 1 20.526 5.443 -5.782
12 H VAL 2 H VAL 2 17.558 7.976 -2.897
13 HA VAL 2 HA VAL 2 20.058 8.915 -1.531
14 HB VAL 2 HB VAL 2 18.680 10.249 -0.008
15 HG11 VAL 2 HG11 VAL 2 19.710 11.290 -2.000
16 HG12 VAL 2 HG12 VAL 2 18.204 11.029 -2.908
17 HG13 VAL 2 HG13 VAL 2 18.218 12.100 -1.494
18 HG21 VAL 2 HG21 VAL 2 16.495 9.070 -0.218
19 HG22 VAL 2 HG22 VAL 2 16.353 10.806 -0.507
20 HG23 VAL 2 HG23 VAL 2 16.331 9.687 -1.880
21 H PHE 3 H PHE 3 19.010 6.243 -1.977
22 HA PHE 3 HA PHE 3 18.038 4.420 -1.131
23 HB2 PHE 3 HB2 PHE 3 20.569 4.697 -0.104
24 HB3 PHE 3 HB3 PHE 3 19.886 4.633 1.225
25 HD1 PHE 3 HD1 PHE 3 19.101 2.516 2.186
26 HD2 PHE 3 HD2 PHE 3 19.978 2.784 -2.029
27 HE1 PHE 3 HE1 PHE 3 18.808 0.058 1.963
28 HE2 PHE 3 HE2 PHE 3 19.681 0.330 -2.248
29 HZ PHE 3 HZ PHE 3 19.088 -1.036 -0.254
30 H TYR 4 H TYR 4 16.362 6.466 -0.543
31 HA TYR 4 HA TYR 4 14.465 6.967 0.547
32 HB2 TYR 4 HB2 TYR 4 14.219 4.158 1.471
33 HB3 TYR 4 HB3 TYR 4 13.083 5.098 1.049
34 HD1 TYR 4 HD1 TYR 4 12.785 5.870 -1.397
35 HD2 TYR 4 HD2 TYR 4 15.552 2.771 -0.222
36 HE1 TYR 4 HE1 TYR 4 12.947 5.104 -3.768
37 HE2 TYR 4 HE2 TYR 4 15.717 2.016 -2.585
38 HH TYR 4 HH TYR 4 15.031 2.354 -4.746
39 H VAL 5 H VAL 5 16.985 7.153 2.348
40 HA VAL 5 HA VAL 5 16.277 6.389 4.965
41 HB VAL 5 HB VAL 5 18.014 7.852 5.795
42 HG11 VAL 5 HG11 VAL 5 19.893 6.885 4.614
43 HG12 VAL 5 HG12 VAL 5 18.596 5.684 4.734
44 HG13 VAL 5 HG13 VAL 5 18.888 6.526 3.198
45 HG21 VAL 5 HG21 VAL 5 19.386 9.244 4.260
46 HG22 VAL 5 HG22 VAL 5 18.178 9.017 2.982
47 HG23 VAL 5 HG23 VAL 5 17.758 9.884 4.476
48 H ALA 6 H ALA 6 15.487 9.456 3.338
49 HA ALA 6 HA ALA 6 14.329 10.720 5.658
50 HB1 ALA 6 HB1 ALA 6 13.867 11.188 2.675
51 HB2 ALA 6 HB2 ALA 6 13.381 12.278 3.989
52 HB3 ALA 6 HB3 ALA 6 15.100 11.974 3.688
53 H LEU 7 H LEU 7 12.888 8.825 2.967
54 HA LEU 7 HA LEU 7 10.176 8.894 3.780
55 HB2 LEU 7 HB2 LEU 7 11.467 7.844 1.674
56 HB3 LEU 7 HB3 LEU 7 11.561 6.533 2.452
57 HG LEU 7 HG LEU 7 8.893 7.873 1.814
58 HD11 LEU 7 HD11 LEU 7 8.676 6.073 0.146
59 HD12 LEU 7 HD12 LEU 7 10.272 5.437 0.603
60 HD13 LEU 7 HD13 LEU 7 10.127 7.036 -0.160
61 HD21 LEU 7 HD21 LEU 7 7.928 5.592 2.327
62 HD22 LEU 7 HD22 LEU 7 8.489 6.480 3.735
63 HD23 LEU 7 HD23 LEU 7 9.487 5.158 3.064
64 H THR 8 H THR 8 12.804 6.662 4.653
65 HA THR 8 HA THR 8 11.318 4.954 6.395
66 HB THR 8 HB THR 8 14.306 5.524 6.428
67 HG1 THR 8 HG1 THR 8 13.708 4.893 4.395
68 HG21 THR 8 HG21 THR 8 13.716 4.147 8.352
69 HG22 THR 8 HG22 THR 8 14.450 3.115 7.123
70 HG23 THR 8 HG23 THR 8 12.686 3.105 7.340
71 H ALA 9 H ALA 9 12.592 8.164 7.023
72 HA ALA 9 HA ALA 9 12.343 7.733 9.978
73 HB1 ALA 9 HB1 ALA 9 14.116 9.407 10.183
74 HB2 ALA 9 HB2 ALA 9 14.632 8.039 9.176
75 HB3 ALA 9 HB3 ALA 9 14.186 9.581 8.416
76 H VAL 10 H VAL 10 12.226 10.616 7.753
77 HA VAL 10 HA VAL 10 10.456 11.983 9.660
78 HB VAL 10 HB VAL 10 10.444 13.854 8.054
79 HG11 VAL 10 HG11 VAL 10 12.083 13.717 9.877
80 HG12 VAL 10 HG12 VAL 10 13.212 12.843 8.817
81 HG13 VAL 10 HG13 VAL 10 12.757 14.522 8.451
82 HG21 VAL 10 HG21 VAL 10 10.863 12.539 5.940
83 HG22 VAL 10 HG22 VAL 10 11.910 13.949 6.162
84 HG23 VAL 10 HG23 VAL 10 12.547 12.329 6.480
85 H NLE 11 H NLE 11 9.906 9.846 7.076
86 HA NLE 11 HA NLE 11 6.979 10.423 7.304
87 HB2 NLE 11 HB2 NLE 11 8.299 9.104 4.917
88 HB3 NLE 11 HB3 NLE 11 6.607 9.539 5.118
89 HG2 NLE 11 HG2 NLE 11 7.261 11.961 5.200
90 HG3 NLE 11 HG3 NLE 11 8.942 11.485 4.921
91 HD2 NLE 11 HD2 NLE 11 8.063 12.190 2.830
92 HD3 NLE 11 HD3 NLE 11 8.270 10.438 2.748
93 HE1 NLE 11 HE1 NLE 11 6.140 11.229 1.714
94 HE2 NLE 11 HE2 NLE 11 5.838 10.118 3.058
95 HE3 NLE 11 HE3 NLE 11 5.623 11.871 3.285
96 H VAL 12 H VAL 12 8.981 8.638 8.811
97 HA VAL 12 HA VAL 12 9.198 6.509 9.630
98 HB VAL 12 HB VAL 12 7.274 5.934 11.036
99 HG11 VAL 12 HG11 VAL 12 8.906 7.648 11.714
100 HG12 VAL 12 HG12 VAL 12 7.879 8.910 10.999
101 HG13 VAL 12 HG13 VAL 12 7.290 7.950 12.370
102 HG21 VAL 12 HG21 VAL 12 5.816 8.277 9.736
103 HG22 VAL 12 HG22 VAL 12 5.406 6.568 9.480
104 HG23 VAL 12 HG23 VAL 12 5.262 7.282 11.094
105 H ALA 13 H ALA 13 8.994 6.091 6.904
106 HA ALA 13 HA ALA 13 8.638 4.554 5.326
107 HB1 ALA 13 HB1 ALA 13 9.944 3.179 6.916
108 HB2 ALA 13 HB2 ALA 13 8.429 2.559 7.605
109 HB3 ALA 13 HB3 ALA 13 8.846 2.213 5.917
110 H VAL 14 H VAL 14 6.315 6.015 6.050
111 HA VAL 14 HA VAL 14 3.935 4.776 6.406
112 HB VAL 14 HB VAL 14 4.216 7.154 6.195
113 HG11 VAL 14 HG11 VAL 14 4.259 6.804 3.165
114 HG12 VAL 14 HG12 VAL 14 4.249 8.326 4.071
115 HG13 VAL 14 HG13 VAL 14 5.658 7.266 4.165
116 HG21 VAL 14 HG21 VAL 14 2.108 7.715 5.183
117 HG22 VAL 14 HG22 VAL 14 2.071 6.195 4.273
118 HG23 VAL 14 HG23 VAL 14 1.954 6.178 6.048
119 H ALA 15 H ALA 15 5.698 4.606 3.340
120 HA ALA 15 HA ALA 15 3.692 3.517 1.689
121 HB1 ALA 15 HB1 ALA 15 6.708 3.076 1.643
122 HB2 ALA 15 HB2 ALA 15 5.587 2.787 0.295
123 HB3 ALA 15 HB3 ALA 15 5.832 4.437 0.898
124 H LEU 16 H LEU 16 5.542 1.853 4.223
125 HA LEU 16 HA LEU 16 5.101 -0.847 3.322
126 HB2 LEU 16 HB2 LEU 16 6.723 -0.058 5.139
127 HB3 LEU 16 HB3 LEU 16 5.566 0.349 6.088
128 HG LEU 16 HG LEU 16 4.717 -1.956 6.336
129 HD11 LEU 16 HD11 LEU 16 6.090 -3.860 5.502
130 HD12 LEU 16 HD12 LEU 16 7.072 -2.721 4.553
131 HD13 LEU 16 HD13 LEU 16 5.347 -2.953 4.181
132 HD21 LEU 16 HD21 LEU 16 6.614 -2.825 7.625
133 HD22 LEU 16 HD22 LEU 16 6.421 -1.082 7.874
134 HD23 LEU 16 HD23 LEU 16 7.710 -1.686 6.809
135 H TYR 17 H TYR 17 3.277 1.267 5.571
136 HA TYR 17 HA TYR 17 1.220 -0.684 6.132
137 HB2 TYR 17 HB2 TYR 17 0.841 2.246 6.558
138 HB3 TYR 17 HB3 TYR 17 0.107 1.111 7.287
139 HD1 TYR 17 HD1 TYR 17 1.274 -0.413 8.986
140 HD2 TYR 17 HD2 TYR 17 3.211 2.981 7.184
141 HE1 TYR 17 HE1 TYR 17 3.056 -0.492 10.735
142 HE2 TYR 17 HE2 TYR 17 4.986 2.914 8.924
143 HH TYR 17 HH TYR 17 5.771 1.851 10.789
144 H ALA 18 H ALA 18 1.549 1.937 3.733
145 HA ALA 18 HA ALA 18 -1.059 1.691 2.565
146 HB1 ALA 18 HB1 ALA 18 -0.052 2.838 0.650
147 HB2 ALA 18 HB2 ALA 18 0.468 3.599 2.166
148 HB3 ALA 18 HB3 ALA 18 1.577 2.528 1.279
149 H TYR 19 H TYR 19 2.074 0.090 1.600
150 HA TYR 19 HA TYR 19 1.003 -1.633 -0.373
151 HB2 TYR 19 HB2 TYR 19 3.474 -1.318 0.304
152 HB3 TYR 19 HB3 TYR 19 3.280 -2.135 1.586
153 HD1 TYR 19 HD1 TYR 19 2.981 -4.605 1.627
154 HD2 TYR 19 HD2 TYR 19 3.423 -2.433 -2.079
155 HE1 TYR 19 HE1 TYR 19 3.463 -6.739 0.427
156 HE2 TYR 19 HE2 TYR 19 3.911 -4.563 -3.268
157 HH TYR 19 HH TYR 19 4.173 -6.823 -3.085
158 H GLY 20 H GLY 20 1.151 -2.088 3.159
159 HA2 GLY 20 HA2 GLY 20 0.056 -4.683 3.322
160 HA3 GLY 20 HA3 GLY 20 0.044 -3.457 4.592
161 H LEU 21 H LEU 21 -1.689 -2.118 2.072
162 HA LEU 21 HA LEU 21 -4.135 -3.713 2.430
163 HB2 LEU 21 HB2 LEU 21 -5.462 -1.916 3.243
164 HB3 LEU 21 HB3 LEU 21 -4.219 -2.036 4.186
165 HG LEU 21 HG LEU 21 -3.148 -0.110 2.640
166 HD11 LEU 21 HD11 LEU 21 -5.096 -0.027 1.050
167 HD12 LEU 21 HD12 LEU 21 -4.863 1.490 1.918
168 HD13 LEU 21 HD13 LEU 21 -6.153 0.376 2.415
169 HD21 LEU 21 HD21 LEU 21 -5.298 0.352 4.746
170 HD22 LEU 21 HD22 LEU 21 -4.082 1.540 4.216
171 HD23 LEU 21 HD23 LEU 21 -3.568 0.065 5.046
172 H ABA 22 H ABU 22 -2.387 -1.315 0.506
173 HA ABA 22 HA ABU 22 -4.247 -1.430 -1.735
174 HB3 ABA 22 HB3 ABU 22 -2.413 -0.244 -2.930
175 HB2 ABA 22 HB2 ABU 22 -1.368 -0.446 -1.522
176 HG1 ABA 22 HG1 ABU 22 -2.382 1.811 -1.607
177 HG3 ABA 22 HG3 ABU 22 -2.954 0.945 -0.172
178 HG2 ABA 22 HG2 ABU 22 -4.008 1.100 -1.595
179 H PHE 23 H PHE 23 -1.717 -3.505 -0.597
180 HA PHE 23 HA PHE 23 -1.862 -5.112 -3.117
181 HB2 PHE 23 HB2 PHE 23 0.497 -3.887 -1.963
182 HB3 PHE 23 HB3 PHE 23 0.699 -5.403 -1.783
183 HD1 PHE 23 HD1 PHE 23 -0.063 -6.957 -3.955
184 HD2 PHE 23 HD2 PHE 23 1.305 -2.867 -4.049
185 HE1 PHE 23 HE1 PHE 23 0.719 -7.270 -6.292
186 HE2 PHE 23 HE2 PHE 23 2.079 -3.181 -6.386
187 HZ PHE 23 HZ PHE 23 1.793 -5.384 -7.509
188 H ARG 24 H ARG 24 -0.899 -5.232 0.331
189 HA ARG 24 HA ARG 24 -0.707 -6.970 1.798
190 HB2 ARG 24 HB2 ARG 24 -2.910 -7.734 2.505
191 HB3 ARG 24 HB3 ARG 24 -2.775 -6.151 2.375
192 HG2 ARG 24 HG2 ARG 24 -4.863 -6.494 1.405
193 HG3 ARG 24 HG3 ARG 24 -4.010 -6.129 0.217
194 HD2 ARG 24 HD2 ARG 24 -3.801 -8.731 -0.288
195 HD3 ARG 24 HD3 ARG 24 -4.690 -9.012 0.940
196 HE ARG 24 HE ARG 24 -6.632 -8.083 -0.092
197 HH11 ARG 24 HH11 ARG 24 -3.891 -7.634 -2.271
198 HH12 ARG 24 HH12 ARG 24 -4.961 -7.372 -3.628
199 HH21 ARG 24 HH21 ARG 24 -7.830 -7.649 -1.720
200 HH22 ARG 24 HH22 ARG 24 -7.180 -7.362 -3.337
201 H LEU 25 H LEU 25 0.398 -7.789 -0.533
202 HA LEU 25 HA LEU 25 -0.504 -10.276 -1.534
203 HB2 LEU 25 HB2 LEU 25 1.203 -8.475 -2.463
204 HB3 LEU 25 HB3 LEU 25 2.312 -9.114 -1.593
205 HG LEU 25 HG LEU 25 2.095 -11.336 -2.751
206 HD11 LEU 25 HD11 LEU 25 -0.252 -11.234 -3.502
207 HD12 LEU 25 HD12 LEU 25 0.819 -11.403 -4.894
208 HD13 LEU 25 HD13 LEU 25 0.113 -9.817 -4.513
209 HD21 LEU 25 HD21 LEU 25 3.086 -10.579 -4.873
210 HD22 LEU 25 HD22 LEU 25 3.720 -9.652 -3.503
211 HD23 LEU 25 HD23 LEU 25 2.497 -8.927 -4.571
212 H NLE 26 H NLE 26 1.572 -9.566 1.169
213 HA NLE 26 HA NLE 26 1.845 -12.368 1.988
214 HB2 NLE 26 HB2 NLE 26 4.289 -12.289 2.086
215 HB3 NLE 26 HB3 NLE 26 3.713 -12.074 0.440
216 HG2 NLE 26 HG2 NLE 26 4.032 -9.534 0.779
217 HG3 NLE 26 HG3 NLE 26 4.796 -9.931 2.320
218 HD2 NLE 26 HD2 NLE 26 6.550 -9.600 0.766
219 HD3 NLE 26 HD3 NLE 26 6.470 -11.345 1.031
220 HE1 NLE 26 HE1 NLE 26 6.793 -10.740 -1.367
221 HE2 NLE 26 HE2 NLE 26 5.273 -11.618 -1.134
222 HE3 NLE 26 HE3 NLE 26 5.257 -9.852 -1.350
223 H GLY 27 H GLY 27 2.691 -12.541 4.181
224 HA2 GLY 27 HA2 GLY 27 2.397 -10.067 5.850
225 HA3 GLY 27 HA3 GLY 27 1.275 -11.420 6.017
226 H ALA 28 H ALA 28 4.347 -12.746 5.494
227 HA ALA 28 HA ALA 28 4.608 -13.634 8.219
228 HB1 ALA 28 HB1 ALA 28 6.670 -14.688 7.393
229 HB2 ALA 28 HB2 ALA 28 5.333 -14.948 6.259
230 HB3 ALA 28 HB3 ALA 28 6.585 -13.733 5.899
231 H SER 29 H SER 29 5.781 -10.774 6.625
232 HA SER 29 HA SER 29 7.440 -9.995 8.986
233 HB2 SER 29 HB2 SER 29 8.536 -9.684 6.185
234 HB3 SER 29 HB3 SER 29 9.254 -9.302 7.497
235 HG SER 29 HG SER 29 9.279 -11.502 8.157
236 H GLY 30 H GLY 30 4.735 -9.008 7.680
237 HA2 GLY 30 HA2 GLY 30 5.141 -6.253 8.323
238 HA3 GLY 30 HA3 GLY 30 5.092 -6.430 6.569
239 HA PRO 31 HA PRO 31 0.794 -5.814 8.560
240 HB2 PRO 31 HB2 PRO 31 0.477 -3.448 6.866
241 HB3 PRO 31 HB3 PRO 31 0.154 -3.590 8.288
242 HG2 PRO 31 HG2 PRO 31 2.489 -2.333 8.018
243 HG3 PRO 31 HG3 PRO 31 2.332 -3.290 9.176
244 HD2 PRO 31 HD2 PRO 31 3.874 -4.149 6.760
245 HD3 PRO 31 HD3 PRO 31 4.200 -4.317 8.205
246 H ASN 32 H ASN 32 -1.006 -6.749 7.659
247 HA ASN 32 HA ASN 32 -1.350 -7.026 4.734
248 HB2 ASN 32 HB2 ASN 32 -0.849 -9.395 4.745
249 HB3 ASN 32 HB3 ASN 32 0.373 -8.699 5.335
250 HD21 ASN 32 HD21 ASN 32 0.957 -8.895 7.616
251 HD22 ASN 32 HD22 ASN 32 0.176 -10.131 8.587
252 H LYS 33 H LYS 33 -2.988 -6.217 7.300
253 HA LYS 33 HA LYS 33 -5.237 -8.191 7.078
254 HB2 LYS 33 HB2 LYS 33 -4.442 -6.673 9.534
255 HB3 LYS 33 HB3 LYS 33 -5.630 -7.663 9.496
256 HG2 LYS 33 HG2 LYS 33 -2.799 -8.607 9.236
257 HG3 LYS 33 HG3 LYS 33 -3.702 -8.765 10.480
258 HD2 LYS 33 HD2 LYS 33 -5.356 -10.143 8.901
259 HD3 LYS 33 HD3 LYS 33 -4.313 -10.079 7.799
260 HE2 LYS 33 HE2 LYS 33 -2.564 -11.144 9.487
261 HE3 LYS 33 HE3 LYS 33 -3.665 -11.247 10.539
262 HZ1 LYS 33 HZ1 LYS 33 -3.890 -12.535 7.871
263 HZ2 LYS 33 HZ2 LYS 33 -4.996 -12.689 9.069
264 HZ3 LYS 33 HZ3 LYS 33 -3.493 -13.299 9.256
265 H LYS 34 H LYS 34 -4.899 -5.505 5.672
266 HA LYS 34 HA LYS 34 -7.742 -4.690 5.999
267 HB2 LYS 34 HB2 LYS 34 -5.552 -2.615 5.911
268 HB3 LYS 34 HB3 LYS 34 -7.034 -2.270 5.726
269 HG2 LYS 34 HG2 LYS 34 -7.484 -3.358 8.092
270 HG3 LYS 34 HG3 LYS 34 -5.993 -3.554 8.280
271 HD2 LYS 34 HD2 LYS 34 -5.607 -1.017 7.930
272 HD3 LYS 34 HD3 LYS 34 -7.110 -0.787 7.659
273 HE2 LYS 34 HE2 LYS 34 -7.017 -0.347 10.030
274 HE3 LYS 34 HE3 LYS 34 -7.813 -1.645 9.897
275 HZ1 LYS 34 HZ1 LYS 34 -4.891 -1.634 10.470
276 HZ2 LYS 34 HZ2 LYS 34 -5.843 -2.968 10.467
277 HZ3 LYS 34 HZ3 LYS 34 -6.065 -1.806 11.588
278 H GLU 35 H GLU 35 -8.367 -3.216 4.128
279 HA GLU 35 HA GLU 35 -6.883 -3.650 1.614
280 HB2 GLU 35 HB2 GLU 35 -9.778 -4.439 1.671
281 HB3 GLU 35 HB3 GLU 35 -8.898 -4.375 0.401
282 HG2 GLU 35 HG2 GLU 35 -7.338 -6.160 1.583
283 HG3 GLU 35 HG3 GLU 35 -8.364 -6.306 2.691
284 H SER 36 H SER 36 -7.417 -2.117 -0.014
285 HA SER 36 HA SER 36 -7.865 0.487 0.732
286 HB2 SER 36 HB2 SER 36 -8.447 -0.488 -2.074
287 HB3 SER 36 HB3 SER 36 -8.163 0.972 -1.658
288 HG SER 36 HG SER 36 -6.295 -0.105 -2.394
289 H ARG 37 H ARG 37 -9.435 2.019 0.575
290 HA ARG 37 HA ARG 37 -12.293 1.297 0.105
291 HB2 ARG 37 HB2 ARG 37 -11.558 2.902 2.521
292 HB3 ARG 37 HB3 ARG 37 -12.971 2.390 2.190
293 HG2 ARG 37 HG2 ARG 37 -10.783 0.565 3.116
294 HG3 ARG 37 HG3 ARG 37 -11.953 1.054 3.990
295 HD2 ARG 37 HD2 ARG 37 -13.625 -0.251 2.664
296 HD3 ARG 37 HD3 ARG 37 -12.716 -0.401 1.446
297 HE ARG 37 HE ARG 37 -11.127 -1.635 3.308
298 HH11 ARG 37 HH11 ARG 37 -14.356 -2.191 2.078
299 HH12 ARG 37 HH12 ARG 37 -14.310 -3.893 2.455
300 HH21 ARG 37 HH21 ARG 37 -11.193 -3.785 3.899
301 HH22 ARG 37 HH22 ARG 37 -12.545 -4.772 3.426
302 H GLY 38 H GLY 38 -13.643 3.428 0.360
303 HA2 GLY 38 HA2 GLY 38 -12.366 5.930 -0.382
304 HA3 GLY 38 HA3 GLY 38 -13.176 5.163 -1.750
305 H ARG 39 H ARG 39 -14.098 7.505 -1.249
306 HA ARG 39 HA ARG 39 -16.667 7.262 0.295
307 HB2 ARG 39 HB2 ARG 39 -14.853 9.664 0.329
308 HB3 ARG 39 HB3 ARG 39 -16.279 9.693 0.922
309 HG2 ARG 39 HG2 ARG 39 -15.598 7.694 2.478
310 HG3 ARG 39 HG3 ARG 39 -14.172 7.767 1.980
311 HD2 ARG 39 HD2 ARG 39 -13.970 10.225 2.744
312 HD3 ARG 39 HD3 ARG 39 -15.473 10.292 3.077
313 HE ARG 39 HE ARG 39 -14.463 8.075 4.570
314 HH11 ARG 39 HH11 ARG 39 -14.172 11.566 4.554
315 HH12 ARG 39 HH12 ARG 39 -13.900 11.646 6.275
316 HH21 ARG 39 HH21 ARG 39 -14.123 8.247 6.763
317 HH22 ARG 39 HH22 ARG 39 -13.871 9.808 7.485
318 H GLY 40 H GLY 40 -15.920 7.208 -2.715
319 HA2 GLY 40 HA2 GLY 40 -18.354 8.194 -3.697
320 HA3 GLY 40 HA3 GLY 40 -17.193 9.501 -3.936
321 HN1 NH2 41 H1 NHE 41 -14.943 7.457 -4.502
322 HN2 NH2 41 H2 NHE 41 -15.301 6.901 -6.121
Start of MODEL 18
1 H1 VAL 1 H1 VAL 1 19.466 7.823 -6.148
2 H2 VAL 1 H2 VAL 1 18.438 9.088 -6.101
3 H3 VAL 1 H3 VAL 1 17.943 7.668 -6.743
4 HA VAL 1 HA VAL 1 17.000 7.996 -4.541
5 HB VAL 1 HB VAL 1 17.749 5.896 -3.445
6 HG11 VAL 1 HG11 VAL 1 16.871 4.387 -5.096
7 HG12 VAL 1 HG12 VAL 1 15.959 5.899 -5.140
8 HG13 VAL 1 HG13 VAL 1 17.162 5.541 -6.406
9 HG21 VAL 1 HG21 VAL 1 20.148 5.866 -4.152
10 HG22 VAL 1 HG22 VAL 1 19.285 4.367 -4.509
11 HG23 VAL 1 HG23 VAL 1 19.626 5.507 -5.818
12 H VAL 2 H VAL 2 17.298 8.083 -2.260
13 HA VAL 2 HA VAL 2 20.008 8.841 -1.240
14 HB VAL 2 HB VAL 2 18.966 10.429 0.322
15 HG11 VAL 2 HG11 VAL 2 19.932 11.210 -1.816
16 HG12 VAL 2 HG12 VAL 2 18.325 11.112 -2.570
17 HG13 VAL 2 HG13 VAL 2 18.616 12.242 -1.234
18 HG21 VAL 2 HG21 VAL 2 16.634 9.536 0.365
19 HG22 VAL 2 HG22 VAL 2 16.698 11.264 0.000
20 HG23 VAL 2 HG23 VAL 2 16.402 10.103 -1.307
21 H PHE 3 H PHE 3 18.698 6.292 -1.372
22 HA PHE 3 HA PHE 3 17.707 4.601 -0.296
23 HB2 PHE 3 HB2 PHE 3 20.272 4.719 0.455
24 HB3 PHE 3 HB3 PHE 3 19.789 5.067 1.840
25 HD1 PHE 3 HD1 PHE 3 19.451 3.282 3.394
26 HD2 PHE 3 HD2 PHE 3 18.830 2.545 -0.812
27 HE1 PHE 3 HE1 PHE 3 18.990 0.887 3.876
28 HE2 PHE 3 HE2 PHE 3 18.352 0.159 -0.323
29 HZ PHE 3 HZ PHE 3 18.430 -0.674 2.020
30 H TYR 4 H TYR 4 16.162 6.757 0.143
31 HA TYR 4 HA TYR 4 14.280 7.364 1.210
32 HB2 TYR 4 HB2 TYR 4 14.052 4.647 2.376
33 HB3 TYR 4 HB3 TYR 4 12.910 5.539 1.872
34 HD1 TYR 4 HD1 TYR 4 12.724 6.171 -0.665
35 HD2 TYR 4 HD2 TYR 4 15.271 3.031 0.852
36 HE1 TYR 4 HE1 TYR 4 12.879 5.181 -2.951
37 HE2 TYR 4 HE2 TYR 4 15.422 2.049 -1.427
38 HH TYR 4 HH TYR 4 14.787 2.220 -3.622
39 H VAL 5 H VAL 5 16.789 7.734 2.961
40 HA VAL 5 HA VAL 5 16.204 7.204 5.640
41 HB VAL 5 HB VAL 5 17.817 8.947 6.253
42 HG11 VAL 5 HG11 VAL 5 19.749 7.949 5.167
43 HG12 VAL 5 HG12 VAL 5 18.559 6.696 5.554
44 HG13 VAL 5 HG13 VAL 5 18.732 7.270 3.882
45 HG21 VAL 5 HG21 VAL 5 19.054 10.191 4.513
46 HG22 VAL 5 HG22 VAL 5 17.904 9.645 3.282
47 HG23 VAL 5 HG23 VAL 5 17.373 10.710 4.606
48 H ALA 6 H ALA 6 15.112 10.056 3.804
49 HA ALA 6 HA ALA 6 13.864 11.343 6.088
50 HB1 ALA 6 HB1 ALA 6 13.402 11.673 3.085
51 HB2 ALA 6 HB2 ALA 6 12.823 12.767 4.358
52 HB3 ALA 6 HB3 ALA 6 14.564 12.584 4.077
53 H LEU 7 H LEU 7 12.572 9.309 3.409
54 HA LEU 7 HA LEU 7 9.856 9.303 4.148
55 HB2 LEU 7 HB2 LEU 7 11.297 8.190 2.126
56 HB3 LEU 7 HB3 LEU 7 11.251 6.898 2.936
57 HG LEU 7 HG LEU 7 8.725 8.392 2.081
58 HD11 LEU 7 HD11 LEU 7 8.510 6.578 0.425
59 HD12 LEU 7 HD12 LEU 7 10.034 5.859 0.995
60 HD13 LEU 7 HD13 LEU 7 10.032 7.452 0.206
61 HD21 LEU 7 HD21 LEU 7 7.562 6.215 2.554
62 HD22 LEU 7 HD22 LEU 7 8.125 7.042 4.000
63 HD23 LEU 7 HD23 LEU 7 9.041 5.646 3.363
64 H THR 8 H THR 8 12.500 7.196 5.224
65 HA THR 8 HA THR 8 10.937 5.467 6.905
66 HB THR 8 HB THR 8 13.918 6.031 7.095
67 HG1 THR 8 HG1 THR 8 13.479 5.478 5.011
68 HG21 THR 8 HG21 THR 8 12.230 3.587 7.808
69 HG22 THR 8 HG22 THR 8 13.225 4.564 8.915
70 HG23 THR 8 HG23 THR 8 14.002 3.576 7.679
71 H ALA 9 H ALA 9 11.884 8.742 7.478
72 HA ALA 9 HA ALA 9 11.688 8.377 10.451
73 HB1 ALA 9 HB1 ALA 9 13.381 10.133 10.623
74 HB2 ALA 9 HB2 ALA 9 13.976 8.768 9.656
75 HB3 ALA 9 HB3 ALA 9 13.458 10.266 8.852
76 H VAL 10 H VAL 10 11.320 11.038 7.985
77 HA VAL 10 HA VAL 10 9.463 12.436 9.822
78 HB VAL 10 HB VAL 10 9.341 14.187 8.091
79 HG11 VAL 10 HG11 VAL 10 10.938 14.311 9.953
80 HG12 VAL 10 HG12 VAL 10 12.160 13.464 8.982
81 HG13 VAL 10 HG13 VAL 10 11.581 15.071 8.489
82 HG21 VAL 10 HG21 VAL 10 9.951 12.736 6.089
83 HG22 VAL 10 HG22 VAL 10 10.802 14.284 6.217
84 HG23 VAL 10 HG23 VAL 10 11.632 12.793 6.674
85 H NLE 11 H NLE 11 9.165 10.108 7.373
86 HA NLE 11 HA NLE 11 6.194 10.429 7.456
87 HB2 NLE 11 HB2 NLE 11 7.837 9.393 5.120
88 HB3 NLE 11 HB3 NLE 11 6.077 9.423 5.223
89 HG2 NLE 11 HG2 NLE 11 6.081 11.881 5.327
90 HG3 NLE 11 HG3 NLE 11 7.846 11.900 5.295
91 HD2 NLE 11 HD2 NLE 11 7.033 12.435 3.104
92 HD3 NLE 11 HD3 NLE 11 7.851 10.871 3.048
93 HE1 NLE 11 HE1 NLE 11 5.737 10.954 1.707
94 HE2 NLE 11 HE2 NLE 11 5.697 9.701 2.956
95 HE3 NLE 11 HE3 NLE 11 4.820 11.234 3.201
96 H VAL 12 H VAL 12 8.354 8.816 8.977
97 HA VAL 12 HA VAL 12 8.790 6.681 9.719
98 HB VAL 12 HB VAL 12 6.959 5.922 11.170
99 HG11 VAL 12 HG11 VAL 12 8.524 7.711 11.832
100 HG12 VAL 12 HG12 VAL 12 7.389 8.930 11.213
101 HG13 VAL 12 HG13 VAL 12 6.927 7.888 12.573
102 HG21 VAL 12 HG21 VAL 12 5.323 8.218 10.001
103 HG22 VAL 12 HG22 VAL 12 4.998 6.497 9.712
104 HG23 VAL 12 HG23 VAL 12 4.877 7.157 11.350
105 H ALA 13 H ALA 13 8.622 6.279 7.043
106 HA ALA 13 HA ALA 13 8.414 4.726 5.451
107 HB1 ALA 13 HB1 ALA 13 9.772 3.439 7.055
108 HB2 ALA 13 HB2 ALA 13 8.291 2.723 7.730
109 HB3 ALA 13 HB3 ALA 13 8.753 2.397 6.049
110 H VAL 14 H VAL 14 5.992 6.028 6.076
111 HA VAL 14 HA VAL 14 3.655 4.651 6.249
112 HB VAL 14 HB VAL 14 3.845 7.055 6.038
113 HG11 VAL 14 HG11 VAL 14 4.102 6.660 3.025
114 HG12 VAL 14 HG12 VAL 14 3.946 8.194 3.895
115 HG13 VAL 14 HG13 VAL 14 5.403 7.216 4.103
116 HG21 VAL 14 HG21 VAL 14 1.781 7.496 4.900
117 HG22 VAL 14 HG22 VAL 14 1.878 5.974 3.995
118 HG23 VAL 14 HG23 VAL 14 1.649 5.954 5.759
119 H ALA 15 H ALA 15 5.717 4.512 3.386
120 HA ALA 15 HA ALA 15 3.985 3.359 1.509
121 HB1 ALA 15 HB1 ALA 15 6.959 2.861 1.969
122 HB2 ALA 15 HB2 ALA 15 6.063 2.513 0.476
123 HB3 ALA 15 HB3 ALA 15 6.247 4.190 1.022
124 H LEU 16 H LEU 16 5.615 1.717 4.251
125 HA LEU 16 HA LEU 16 5.041 -0.992 3.460
126 HB2 LEU 16 HB2 LEU 16 6.621 -0.292 5.318
127 HB3 LEU 16 HB3 LEU 16 5.486 0.347 6.162
128 HG LEU 16 HG LEU 16 4.337 -1.804 6.576
129 HD11 LEU 16 HD11 LEU 16 5.470 -3.931 5.990
130 HD12 LEU 16 HD12 LEU 16 6.651 -3.031 5.011
131 HD13 LEU 16 HD13 LEU 16 4.933 -3.066 4.547
132 HD21 LEU 16 HD21 LEU 16 6.047 -2.769 8.037
133 HD22 LEU 16 HD22 LEU 16 6.068 -1.000 8.117
134 HD23 LEU 16 HD23 LEU 16 7.315 -1.858 7.184
135 H TYR 17 H TYR 17 3.286 1.303 5.570
136 HA TYR 17 HA TYR 17 1.142 -0.527 6.167
137 HB2 TYR 17 HB2 TYR 17 1.039 2.435 6.615
138 HB3 TYR 17 HB3 TYR 17 0.147 1.393 7.299
139 HD1 TYR 17 HD1 TYR 17 1.061 -0.367 8.915
140 HD2 TYR 17 HD2 TYR 17 3.491 2.844 7.371
141 HE1 TYR 17 HE1 TYR 17 2.779 -0.804 10.675
142 HE2 TYR 17 HE2 TYR 17 5.184 2.425 9.131
143 HH TYR 17 HH TYR 17 5.781 1.140 10.932
144 H ALA 18 H ALA 18 1.548 2.021 3.709
145 HA ALA 18 HA ALA 18 -1.100 1.839 2.584
146 HB1 ALA 18 HB1 ALA 18 -0.036 2.901 0.624
147 HB2 ALA 18 HB2 ALA 18 0.444 3.704 2.131
148 HB3 ALA 18 HB3 ALA 18 1.573 2.600 1.315
149 H TYR 19 H TYR 19 1.998 0.219 1.560
150 HA TYR 19 HA TYR 19 0.883 -1.463 -0.417
151 HB2 TYR 19 HB2 TYR 19 3.369 -1.079 0.192
152 HB3 TYR 19 HB3 TYR 19 3.247 -1.973 1.431
153 HD1 TYR 19 HD1 TYR 19 3.071 -4.450 1.333
154 HD2 TYR 19 HD2 TYR 19 3.261 -2.046 -2.250
155 HE1 TYR 19 HE1 TYR 19 3.620 -6.481 -0.009
156 HE2 TYR 19 HE2 TYR 19 3.819 -4.074 -3.581
157 HH TYR 19 HH TYR 19 4.196 -6.326 -3.541
158 H GLY 20 H GLY 20 1.153 -2.004 3.091
159 HA2 GLY 20 HA2 GLY 20 0.217 -4.650 3.247
160 HA3 GLY 20 HA3 GLY 20 0.154 -3.439 4.527
161 H LEU 21 H LEU 21 -1.704 -2.152 2.093
162 HA LEU 21 HA LEU 21 -4.029 -3.935 2.384
163 HB2 LEU 21 HB2 LEU 21 -5.497 -2.275 3.243
164 HB3 LEU 21 HB3 LEU 21 -4.265 -2.348 4.200
165 HG LEU 21 HG LEU 21 -3.307 -0.280 2.779
166 HD11 LEU 21 HD11 LEU 21 -5.191 -0.263 1.109
167 HD12 LEU 21 HD12 LEU 21 -5.118 1.221 2.060
168 HD13 LEU 21 HD13 LEU 21 -6.334 -0.017 2.442
169 HD21 LEU 21 HD21 LEU 21 -5.571 -0.075 4.808
170 HD22 LEU 21 HD22 LEU 21 -4.428 1.224 4.383
171 HD23 LEU 21 HD23 LEU 21 -3.837 -0.242 5.172
172 H ABA 22 H ABU 22 -2.431 -1.353 0.551
173 HA ABA 22 HA ABU 22 -4.300 -1.482 -1.677
174 HB3 ABA 22 HB3 ABU 22 -2.501 -0.215 -2.862
175 HB2 ABA 22 HB2 ABU 22 -1.458 -0.400 -1.450
176 HG1 ABA 22 HG1 ABU 22 -2.567 1.813 -1.495
177 HG3 ABA 22 HG3 ABU 22 -3.118 0.892 -0.085
178 HG2 ABA 22 HG2 ABU 22 -4.160 1.033 -1.517
179 H PHE 23 H PHE 23 -1.668 -3.500 -0.649
180 HA PHE 23 HA PHE 23 -1.826 -5.057 -3.199
181 HB2 PHE 23 HB2 PHE 23 0.497 -3.705 -2.155
182 HB3 PHE 23 HB3 PHE 23 0.800 -5.193 -1.933
183 HD1 PHE 23 HD1 PHE 23 0.253 -6.903 -3.972
184 HD2 PHE 23 HD2 PHE 23 0.973 -2.668 -4.362
185 HE1 PHE 23 HE1 PHE 23 0.949 -7.238 -6.332
186 HE2 PHE 23 HE2 PHE 23 1.664 -3.006 -6.723
187 HZ PHE 23 HZ PHE 23 1.656 -5.290 -7.710
188 H ARG 24 H ARG 24 -0.834 -5.159 0.233
189 HA ARG 24 HA ARG 24 -0.609 -6.872 1.725
190 HB2 ARG 24 HB2 ARG 24 -2.802 -7.723 2.350
191 HB3 ARG 24 HB3 ARG 24 -2.733 -6.138 2.200
192 HG2 ARG 24 HG2 ARG 24 -4.767 -6.593 1.147
193 HG3 ARG 24 HG3 ARG 24 -3.876 -6.196 -0.004
194 HD2 ARG 24 HD2 ARG 24 -3.505 -8.794 -0.457
195 HD3 ARG 24 HD3 ARG 24 -4.453 -9.101 0.719
196 HE ARG 24 HE ARG 24 -6.368 -8.205 -0.438
197 HH11 ARG 24 HH11 ARG 24 -3.519 -7.866 -2.495
198 HH12 ARG 24 HH12 ARG 24 -4.515 -7.786 -3.929
199 HH21 ARG 24 HH21 ARG 24 -7.478 -7.954 -2.154
200 HH22 ARG 24 HH22 ARG 24 -6.751 -7.804 -3.756
201 H LEU 25 H LEU 25 0.625 -7.683 -0.555
202 HA LEU 25 HA LEU 25 -0.124 -10.203 -1.560
203 HB2 LEU 25 HB2 LEU 25 1.526 -8.425 -2.481
204 HB3 LEU 25 HB3 LEU 25 2.612 -8.857 -1.466
205 HG LEU 25 HG LEU 25 2.828 -11.133 -2.416
206 HD11 LEU 25 HD11 LEU 25 0.544 -11.549 -3.226
207 HD12 LEU 25 HD12 LEU 25 1.682 -11.670 -4.568
208 HD13 LEU 25 HD13 LEU 25 0.686 -10.209 -4.388
209 HD21 LEU 25 HD21 LEU 25 3.773 -10.474 -4.585
210 HD22 LEU 25 HD22 LEU 25 4.170 -9.289 -3.330
211 HD23 LEU 25 HD23 LEU 25 2.894 -8.929 -4.514
212 H NLE 26 H NLE 26 1.702 -9.478 1.322
213 HA NLE 26 HA NLE 26 2.079 -12.323 1.999
214 HB2 NLE 26 HB2 NLE 26 4.476 -12.074 2.354
215 HB3 NLE 26 HB3 NLE 26 4.057 -11.721 0.685
216 HG2 NLE 26 HG2 NLE 26 4.059 -9.187 1.461
217 HG3 NLE 26 HG3 NLE 26 4.888 -9.804 2.889
218 HD2 NLE 26 HD2 NLE 26 6.593 -9.079 1.431
219 HD3 NLE 26 HD3 NLE 26 6.609 -10.841 1.290
220 HE1 NLE 26 HE1 NLE 26 6.824 -9.709 -0.917
221 HE2 NLE 26 HE2 NLE 26 5.335 -10.667 -0.854
222 HE3 NLE 26 HE3 NLE 26 5.266 -8.901 -0.662
223 H GLY 27 H GLY 27 2.464 -12.677 4.215
224 HA2 GLY 27 HA2 GLY 27 1.812 -10.375 6.034
225 HA3 GLY 27 HA3 GLY 27 0.830 -11.841 5.952
226 H ALA 28 H ALA 28 3.917 -13.022 5.728
227 HA ALA 28 HA ALA 28 4.051 -13.842 8.496
228 HB1 ALA 28 HB1 ALA 28 6.136 -14.930 7.780
229 HB2 ALA 28 HB2 ALA 28 4.840 -15.227 6.609
230 HB3 ALA 28 HB3 ALA 28 6.107 -14.027 6.250
231 H SER 29 H SER 29 5.070 -10.949 6.972
232 HA SER 29 HA SER 29 6.945 -10.237 9.198
233 HB2 SER 29 HB2 SER 29 7.601 -9.615 6.315
234 HB3 SER 29 HB3 SER 29 8.486 -9.313 7.539
235 HG SER 29 HG SER 29 8.755 -11.534 7.960
236 H GLY 30 H GLY 30 4.039 -9.227 8.003
237 HA2 GLY 30 HA2 GLY 30 4.210 -6.644 9.122
238 HA3 GLY 30 HA3 GLY 30 4.478 -6.460 7.391
239 HA PRO 31 HA PRO 31 -0.085 -6.023 8.618
240 HB2 PRO 31 HB2 PRO 31 -0.032 -3.650 6.869
241 HB3 PRO 31 HB3 PRO 31 -0.696 -3.803 8.160
242 HG2 PRO 31 HG2 PRO 31 1.638 -2.590 8.526
243 HG3 PRO 31 HG3 PRO 31 1.216 -3.594 9.570
244 HD2 PRO 31 HD2 PRO 31 3.291 -4.352 7.560
245 HD3 PRO 31 HD3 PRO 31 3.238 -4.631 9.031
246 H ASN 32 H ASN 32 -1.610 -7.119 7.538
247 HA ASN 32 HA ASN 32 -1.750 -7.202 4.590
248 HB2 ASN 32 HB2 ASN 32 -1.138 -9.532 4.453
249 HB3 ASN 32 HB3 ASN 32 -0.006 -8.866 5.221
250 HD21 ASN 32 HD21 ASN 32 0.285 -9.179 7.570
251 HD22 ASN 32 HD22 ASN 32 -0.530 -10.532 8.337
252 H LYS 33 H LYS 33 -3.520 -6.808 7.255
253 HA LYS 33 HA LYS 33 -5.759 -8.670 6.541
254 HB2 LYS 33 HB2 LYS 33 -5.195 -7.551 9.261
255 HB3 LYS 33 HB3 LYS 33 -6.363 -8.515 8.957
256 HG2 LYS 33 HG2 LYS 33 -3.508 -9.421 8.828
257 HG3 LYS 33 HG3 LYS 33 -4.523 -9.763 9.945
258 HD2 LYS 33 HD2 LYS 33 -6.000 -10.891 8.043
259 HD3 LYS 33 HD3 LYS 33 -4.873 -10.651 7.049
260 HE2 LYS 33 HE2 LYS 33 -3.241 -11.960 8.671
261 HE3 LYS 33 HE3 LYS 33 -4.407 -12.218 9.623
262 HZ1 LYS 33 HZ1 LYS 33 -4.447 -13.103 6.785
263 HZ2 LYS 33 HZ2 LYS 33 -5.621 -13.436 7.878
264 HZ3 LYS 33 HZ3 LYS 33 -4.125 -14.059 8.066
265 H LYS 34 H LYS 34 -5.276 -5.944 5.473
266 HA LYS 34 HA LYS 34 -8.084 -5.002 5.690
267 HB2 LYS 34 HB2 LYS 34 -5.798 -3.038 5.814
268 HB3 LYS 34 HB3 LYS 34 -7.267 -2.620 5.603
269 HG2 LYS 34 HG2 LYS 34 -7.809 -3.801 7.910
270 HG3 LYS 34 HG3 LYS 34 -6.328 -4.056 8.118
271 HD2 LYS 34 HD2 LYS 34 -5.855 -1.520 7.866
272 HD3 LYS 34 HD3 LYS 34 -7.354 -1.232 7.599
273 HE2 LYS 34 HE2 LYS 34 -7.281 -0.890 9.978
274 HE3 LYS 34 HE3 LYS 34 -8.070 -2.185 9.808
275 HZ1 LYS 34 HZ1 LYS 34 -5.147 -2.172 10.376
276 HZ2 LYS 34 HZ2 LYS 34 -6.087 -3.513 10.330
277 HZ3 LYS 34 HZ3 LYS 34 -6.319 -2.391 11.488
278 H GLU 35 H GLU 35 -8.629 -3.570 3.855
279 HA GLU 35 HA GLU 35 -6.956 -3.778 1.430
280 HB2 GLU 35 HB2 GLU 35 -9.808 -4.706 1.273
281 HB3 GLU 35 HB3 GLU 35 -8.878 -4.509 0.056
282 HG2 GLU 35 HG2 GLU 35 -7.259 -6.272 1.185
283 HG3 GLU 35 HG3 GLU 35 -8.321 -6.558 2.239
284 H SER 36 H SER 36 -7.615 -2.242 -0.239
285 HA SER 36 HA SER 36 -8.116 0.329 0.673
286 HB2 SER 36 HB2 SER 36 -8.602 -0.503 -2.194
287 HB3 SER 36 HB3 SER 36 -8.384 0.940 -1.690
288 HG SER 36 HG SER 36 -6.447 0.003 -2.422
289 H ARG 37 H ARG 37 -9.767 1.826 0.516
290 HA ARG 37 HA ARG 37 -12.576 0.949 0.012
291 HB2 ARG 37 HB2 ARG 37 -11.877 2.480 2.499
292 HB3 ARG 37 HB3 ARG 37 -13.300 2.021 2.133
293 HG2 ARG 37 HG2 ARG 37 -11.170 0.088 2.973
294 HG3 ARG 37 HG3 ARG 37 -12.337 0.556 3.857
295 HD2 ARG 37 HD2 ARG 37 -14.028 -0.585 2.363
296 HD3 ARG 37 HD3 ARG 37 -13.030 -0.763 1.214
297 HE ARG 37 HE ARG 37 -11.879 -2.071 3.494
298 HH11 ARG 37 HH11 ARG 37 -14.355 -2.533 1.059
299 HH12 ARG 37 HH12 ARG 37 -14.241 -4.270 1.137
300 HH21 ARG 37 HH21 ARG 37 -11.826 -4.295 3.584
301 HH22 ARG 37 HH22 ARG 37 -12.827 -5.233 2.515
302 H GLY 38 H GLY 38 -14.094 2.841 0.180
303 HA2 GLY 38 HA2 GLY 38 -13.166 5.526 -0.363
304 HA3 GLY 38 HA3 GLY 38 -13.710 4.713 -1.834
305 H ARG 39 H ARG 39 -15.103 6.814 -1.388
306 HA ARG 39 HA ARG 39 -17.674 6.065 -0.026
307 HB2 ARG 39 HB2 ARG 39 -16.390 8.769 0.248
308 HB3 ARG 39 HB3 ARG 39 -17.783 8.416 0.810
309 HG2 ARG 39 HG2 ARG 39 -16.634 6.515 2.218
310 HG3 ARG 39 HG3 ARG 39 -15.270 6.987 1.757
311 HD2 ARG 39 HD2 ARG 39 -15.760 9.368 2.702
312 HD3 ARG 39 HD3 ARG 39 -17.182 8.939 3.101
313 HE ARG 39 HE ARG 39 -15.518 6.994 4.319
314 HH11 ARG 39 HH11 ARG 39 -16.046 10.445 4.610
315 HH12 ARG 39 HH12 ARG 39 -15.576 10.469 6.289
316 HH21 ARG 39 HH21 ARG 39 -14.935 7.093 6.462
317 HH22 ARG 39 HH22 ARG 39 -14.964 8.616 7.303
318 H GLY 40 H GLY 40 -16.930 6.052 -2.902
319 HA2 GLY 40 HA2 GLY 40 -19.397 6.980 -3.954
320 HA3 GLY 40 HA3 GLY 40 -18.181 8.207 -4.316
321 HN1 NH2 41 H1 NHE 41 -16.057 5.932 -4.656
322 HN2 NH2 41 H2 NHE 41 -16.445 5.283 -6.235
Start of MODEL 19
1 H1 VAL 1 H1 VAL 1 17.927 7.736 -8.021
2 H2 VAL 1 H2 VAL 1 17.064 9.085 -7.714
3 H3 VAL 1 H3 VAL 1 16.313 7.766 -8.320
4 HA VAL 1 HA VAL 1 15.832 8.027 -5.966
5 HB VAL 1 HB VAL 1 16.560 5.796 -5.138
6 HG11 VAL 1 HG11 VAL 1 15.215 4.502 -6.665
7 HG12 VAL 1 HG12 VAL 1 14.481 6.092 -6.429
8 HG13 VAL 1 HG13 VAL 1 15.364 5.729 -7.935
9 HG21 VAL 1 HG21 VAL 1 17.677 4.205 -6.572
10 HG22 VAL 1 HG22 VAL 1 17.875 5.400 -7.862
11 HG23 VAL 1 HG23 VAL 1 18.752 5.583 -6.322
12 H VAL 2 H VAL 2 16.537 7.994 -3.793
13 HA VAL 2 HA VAL 2 19.434 8.507 -3.253
14 HB VAL 2 HB VAL 2 18.813 10.239 -1.614
15 HG11 VAL 2 HG11 VAL 2 19.522 10.851 -3.901
16 HG12 VAL 2 HG12 VAL 2 17.817 10.916 -4.403
17 HG13 VAL 2 HG13 VAL 2 18.427 12.037 -3.173
18 HG21 VAL 2 HG21 VAL 2 16.434 9.604 -1.190
19 HG22 VAL 2 HG22 VAL 2 16.619 11.304 -1.635
20 HG23 VAL 2 HG23 VAL 2 16.013 10.147 -2.832
21 H PHE 3 H PHE 3 17.883 6.100 -3.043
22 HA PHE 3 HA PHE 3 16.987 4.534 -1.725
23 HB2 PHE 3 HB2 PHE 3 19.656 4.516 -1.378
24 HB3 PHE 3 HB3 PHE 3 19.393 4.896 0.055
25 HD1 PHE 3 HD1 PHE 3 18.866 3.214 1.719
26 HD2 PHE 3 HD2 PHE 3 18.163 2.378 -2.454
27 HE1 PHE 3 HE1 PHE 3 18.269 0.869 2.285
28 HE2 PHE 3 HE2 PHE 3 17.563 0.037 -1.884
29 HZ PHE 3 HZ PHE 3 17.609 -0.719 0.486
30 H TYR 4 H TYR 4 15.653 6.787 -1.166
31 HA TYR 4 HA TYR 4 13.962 7.483 0.152
32 HB2 TYR 4 HB2 TYR 4 13.842 4.792 1.392
33 HB3 TYR 4 HB3 TYR 4 12.662 5.693 1.014
34 HD1 TYR 4 HD1 TYR 4 12.192 6.289 -1.506
35 HD2 TYR 4 HD2 TYR 4 14.830 3.117 -0.228
36 HE1 TYR 4 HE1 TYR 4 12.086 5.271 -3.783
37 HE2 TYR 4 HE2 TYR 4 14.724 2.109 -2.498
38 HH TYR 4 HH TYR 4 13.874 2.278 -4.620
39 H VAL 5 H VAL 5 16.645 7.914 1.465
40 HA VAL 5 HA VAL 5 16.667 7.390 4.175
41 HB VAL 5 HB VAL 5 18.220 9.320 4.430
42 HG11 VAL 5 HG11 VAL 5 19.965 8.395 2.988
43 HG12 VAL 5 HG12 VAL 5 19.014 7.105 3.741
44 HG13 VAL 5 HG13 VAL 5 18.753 7.518 2.036
45 HG21 VAL 5 HG21 VAL 5 18.949 10.584 2.474
46 HG22 VAL 5 HG22 VAL 5 17.728 9.805 1.456
47 HG23 VAL 5 HG23 VAL 5 17.237 10.892 2.776
48 H ALA 6 H ALA 6 14.723 9.937 2.725
49 HA ALA 6 HA ALA 6 13.995 11.028 5.386
50 HB1 ALA 6 HB1 ALA 6 13.024 11.707 2.575
51 HB2 ALA 6 HB2 ALA 6 12.600 12.573 4.066
52 HB3 ALA 6 HB3 ALA 6 14.279 12.568 3.497
53 H LEU 7 H LEU 7 12.408 9.182 2.725
54 HA LEU 7 HA LEU 7 9.830 9.030 3.848
55 HB2 LEU 7 HB2 LEU 7 11.002 8.117 1.524
56 HB3 LEU 7 HB3 LEU 7 10.939 6.757 2.200
57 HG LEU 7 HG LEU 7 8.475 8.515 1.802
58 HD11 LEU 7 HD11 LEU 7 7.874 6.873 0.078
59 HD12 LEU 7 HD12 LEU 7 9.360 5.953 0.407
60 HD13 LEU 7 HD13 LEU 7 9.452 7.591 -0.276
61 HD21 LEU 7 HD21 LEU 7 7.155 6.465 2.320
62 HD22 LEU 7 HD22 LEU 7 8.029 7.080 3.719
63 HD23 LEU 7 HD23 LEU 7 8.651 5.655 2.845
64 H THR 8 H THR 8 12.566 6.738 4.160
65 HA THR 8 HA THR 8 11.238 4.910 5.921
66 HB THR 8 HB THR 8 14.211 5.318 5.451
67 HG1 THR 8 HG1 THR 8 13.894 3.785 3.839
68 HG21 THR 8 HG21 THR 8 12.632 2.877 6.392
69 HG22 THR 8 HG22 THR 8 13.925 3.721 7.277
70 HG23 THR 8 HG23 THR 8 14.311 2.821 5.814
71 H ALA 9 H ALA 9 12.353 8.053 6.658
72 HA ALA 9 HA ALA 9 12.793 7.357 9.543
73 HB1 ALA 9 HB1 ALA 9 14.487 9.121 9.579
74 HB2 ALA 9 HB2 ALA 9 14.885 7.877 8.378
75 HB3 ALA 9 HB3 ALA 9 14.226 9.439 7.852
76 H VAL 10 H VAL 10 12.318 10.494 7.787
77 HA VAL 10 HA VAL 10 10.724 11.503 10.018
78 HB VAL 10 HB VAL 10 10.411 13.536 8.627
79 HG11 VAL 10 HG11 VAL 10 12.257 13.323 10.229
80 HG12 VAL 10 HG12 VAL 10 13.291 12.617 8.967
81 HG13 VAL 10 HG13 VAL 10 12.723 14.295 8.824
82 HG21 VAL 10 HG21 VAL 10 10.631 12.465 6.356
83 HG22 VAL 10 HG22 VAL 10 11.645 13.894 6.599
84 HG23 VAL 10 HG23 VAL 10 12.372 12.283 6.673
85 H NLE 11 H NLE 11 9.908 9.756 7.178
86 HA NLE 11 HA NLE 11 7.009 10.177 7.795
87 HB2 NLE 11 HB2 NLE 11 8.127 9.073 5.210
88 HB3 NLE 11 HB3 NLE 11 6.453 9.447 5.595
89 HG2 NLE 11 HG2 NLE 11 7.065 11.872 5.797
90 HG3 NLE 11 HG3 NLE 11 8.722 11.462 5.337
91 HD2 NLE 11 HD2 NLE 11 7.642 12.295 3.391
92 HD3 NLE 11 HD3 NLE 11 7.887 10.562 3.160
93 HE1 NLE 11 HE1 NLE 11 5.654 11.353 2.374
94 HE2 NLE 11 HE2 NLE 11 5.502 10.137 3.651
95 HE3 NLE 11 HE3 NLE 11 5.259 11.861 4.028
96 H VAL 12 H VAL 12 9.165 8.342 8.996
97 HA VAL 12 HA VAL 12 9.477 6.180 9.660
98 HB VAL 12 HB VAL 12 7.671 5.448 11.142
99 HG11 VAL 12 HG11 VAL 12 9.282 7.180 11.829
100 HG12 VAL 12 HG12 VAL 12 8.170 8.444 11.260
101 HG13 VAL 12 HG13 VAL 12 7.701 7.379 12.601
102 HG21 VAL 12 HG21 VAL 12 6.049 7.810 10.096
103 HG22 VAL 12 HG22 VAL 12 5.683 6.107 9.755
104 HG23 VAL 12 HG23 VAL 12 5.621 6.709 11.418
105 H ALA 13 H ALA 13 9.116 5.966 6.929
106 HA ALA 13 HA ALA 13 8.756 4.520 5.270
107 HB1 ALA 13 HB1 ALA 13 10.161 3.082 6.748
108 HB2 ALA 13 HB2 ALA 13 8.680 2.357 7.405
109 HB3 ALA 13 HB3 ALA 13 9.078 2.161 5.688
110 H VAL 14 H VAL 14 6.424 5.857 6.174
111 HA VAL 14 HA VAL 14 4.127 4.467 6.567
112 HB VAL 14 HB VAL 14 4.310 6.883 6.544
113 HG11 VAL 14 HG11 VAL 14 4.077 6.747 3.507
114 HG12 VAL 14 HG12 VAL 14 4.071 8.203 4.516
115 HG13 VAL 14 HG13 VAL 14 5.537 7.220 4.409
116 HG21 VAL 14 HG21 VAL 14 2.091 7.409 5.794
117 HG22 VAL 14 HG22 VAL 14 2.025 5.959 4.775
118 HG23 VAL 14 HG23 VAL 14 2.093 5.806 6.546
119 H ALA 15 H ALA 15 5.766 4.543 3.457
120 HA ALA 15 HA ALA 15 3.782 3.519 1.751
121 HB1 ALA 15 HB1 ALA 15 6.790 3.017 1.763
122 HB2 ALA 15 HB2 ALA 15 5.697 2.774 0.384
123 HB3 ALA 15 HB3 ALA 15 5.959 4.407 1.023
124 H LEU 16 H LEU 16 5.606 1.759 4.246
125 HA LEU 16 HA LEU 16 5.083 -0.920 3.371
126 HB2 LEU 16 HB2 LEU 16 6.659 -0.177 5.242
127 HB3 LEU 16 HB3 LEU 16 5.485 0.301 6.135
128 HG LEU 16 HG LEU 16 4.526 -1.964 6.401
129 HD11 LEU 16 HD11 LEU 16 5.848 -3.939 5.663
130 HD12 LEU 16 HD12 LEU 16 6.917 -2.864 4.732
131 HD13 LEU 16 HD13 LEU 16 5.200 -3.031 4.293
132 HD21 LEU 16 HD21 LEU 16 6.328 -2.875 7.786
133 HD22 LEU 16 HD22 LEU 16 6.203 -1.120 7.986
134 HD23 LEU 16 HD23 LEU 16 7.507 -1.807 6.989
135 H TYR 17 H TYR 17 3.212 1.282 5.502
136 HA TYR 17 HA TYR 17 1.139 -0.684 6.030
137 HB2 TYR 17 HB2 TYR 17 0.875 2.242 6.587
138 HB3 TYR 17 HB3 TYR 17 0.034 1.123 7.217
139 HD1 TYR 17 HD1 TYR 17 1.080 -0.676 8.756
140 HD2 TYR 17 HD2 TYR 17 3.200 2.834 7.449
141 HE1 TYR 17 HE1 TYR 17 2.799 -1.046 10.528
142 HE2 TYR 17 HE2 TYR 17 4.919 2.474 9.212
143 HH TYR 17 HH TYR 17 5.608 1.143 10.945
144 H ALA 18 H ALA 18 1.536 1.959 3.679
145 HA ALA 18 HA ALA 18 -1.077 1.763 2.488
146 HB1 ALA 18 HB1 ALA 18 -0.013 2.872 0.570
147 HB2 ALA 18 HB2 ALA 18 0.467 3.649 2.091
148 HB3 ALA 18 HB3 ALA 18 1.596 2.562 1.250
149 H TYR 19 H TYR 19 2.052 0.150 1.549
150 HA TYR 19 HA TYR 19 0.972 -1.590 -0.410
151 HB2 TYR 19 HB2 TYR 19 3.448 -1.202 0.258
152 HB3 TYR 19 HB3 TYR 19 3.286 -2.072 1.507
153 HD1 TYR 19 HD1 TYR 19 3.111 -4.544 1.455
154 HD2 TYR 19 HD2 TYR 19 3.341 -2.223 -2.179
155 HE1 TYR 19 HE1 TYR 19 3.659 -6.608 0.164
156 HE2 TYR 19 HE2 TYR 19 3.897 -4.283 -3.459
157 HH TYR 19 HH TYR 19 4.295 -6.533 -3.361
158 H GLY 20 H GLY 20 1.188 -2.025 3.122
159 HA2 GLY 20 HA2 GLY 20 0.155 -4.634 3.323
160 HA3 GLY 20 HA3 GLY 20 0.128 -3.401 4.586
161 H LEU 21 H LEU 21 -1.667 -2.122 2.077
162 HA LEU 21 HA LEU 21 -4.078 -3.763 2.492
163 HB2 LEU 21 HB2 LEU 21 -5.415 -2.005 3.324
164 HB3 LEU 21 HB3 LEU 21 -4.130 -2.043 4.223
165 HG LEU 21 HG LEU 21 -3.206 -0.117 2.596
166 HD11 LEU 21 HD11 LEU 21 -5.208 -0.152 1.073
167 HD12 LEU 21 HD12 LEU 21 -5.024 1.391 1.908
168 HD13 LEU 21 HD13 LEU 21 -6.240 0.223 2.465
169 HD21 LEU 21 HD21 LEU 21 -5.305 0.303 4.765
170 HD22 LEU 21 HD22 LEU 21 -4.157 1.526 4.170
171 HD23 LEU 21 HD23 LEU 21 -3.556 0.094 5.015
172 H ABA 22 H ABU 22 -2.425 -1.319 0.521
173 HA ABA 22 HA ABU 22 -4.329 -1.507 -1.678
174 HB3 ABA 22 HB3 ABU 22 -2.581 -0.248 -2.914
175 HB2 ABA 22 HB2 ABU 22 -1.484 -0.419 -1.544
176 HG1 ABA 22 HG1 ABU 22 -2.579 1.801 -1.581
177 HG3 ABA 22 HG3 ABU 22 -3.067 0.909 -0.131
178 HG2 ABA 22 HG2 ABU 22 -4.176 1.033 -1.514
179 H PHE 23 H PHE 23 -1.727 -3.498 -0.584
180 HA PHE 23 HA PHE 23 -1.858 -5.136 -3.089
181 HB2 PHE 23 HB2 PHE 23 0.508 -3.938 -1.856
182 HB3 PHE 23 HB3 PHE 23 0.691 -5.457 -1.806
183 HD1 PHE 23 HD1 PHE 23 1.462 -6.715 -3.665
184 HD2 PHE 23 HD2 PHE 23 -0.256 -2.811 -4.287
185 HE1 PHE 23 HE1 PHE 23 2.193 -6.775 -6.035
186 HE2 PHE 23 HE2 PHE 23 0.480 -2.870 -6.661
187 HZ PHE 23 HZ PHE 23 1.707 -4.850 -7.537
188 H ARG 24 H ARG 24 -0.883 -5.209 0.355
189 HA ARG 24 HA ARG 24 -0.728 -6.900 1.870
190 HB2 ARG 24 HB2 ARG 24 -2.922 -7.627 2.589
191 HB3 ARG 24 HB3 ARG 24 -2.827 -6.056 2.355
192 HG2 ARG 24 HG2 ARG 24 -4.895 -6.523 1.390
193 HG3 ARG 24 HG3 ARG 24 -4.042 -6.214 0.190
194 HD2 ARG 24 HD2 ARG 24 -3.751 -8.826 -0.163
195 HD3 ARG 24 HD3 ARG 24 -4.594 -9.072 1.101
196 HE ARG 24 HE ARG 24 -6.596 -8.354 0.064
197 HH11 ARG 24 HH11 ARG 24 -3.930 -7.726 -2.154
198 HH12 ARG 24 HH12 ARG 24 -5.026 -7.533 -3.501
199 HH21 ARG 24 HH21 ARG 24 -7.868 -7.918 -1.580
200 HH22 ARG 24 HH22 ARG 24 -7.227 -7.654 -3.196
201 H LEU 25 H LEU 25 0.318 -7.778 -0.537
202 HA LEU 25 HA LEU 25 -0.540 -10.343 -1.363
203 HB2 LEU 25 HB2 LEU 25 0.917 -8.633 -2.582
204 HB3 LEU 25 HB3 LEU 25 2.119 -8.880 -1.633
205 HG LEU 25 HG LEU 25 2.440 -11.214 -2.391
206 HD11 LEU 25 HD11 LEU 25 0.126 -11.848 -2.969
207 HD12 LEU 25 HD12 LEU 25 1.179 -12.039 -4.371
208 HD13 LEU 25 HD13 LEU 25 0.097 -10.631 -4.266
209 HD21 LEU 25 HD21 LEU 25 3.172 -10.683 -4.668
210 HD22 LEU 25 HD22 LEU 25 3.546 -9.352 -3.563
211 HD23 LEU 25 HD23 LEU 25 2.165 -9.217 -4.673
212 H NLE 26 H NLE 26 1.606 -9.463 1.253
213 HA NLE 26 HA NLE 26 2.022 -12.272 2.037
214 HB2 NLE 26 HB2 NLE 26 4.461 -11.991 2.202
215 HB3 NLE 26 HB3 NLE 26 3.877 -11.866 0.546
216 HG2 NLE 26 HG2 NLE 26 4.039 -9.349 0.709
217 HG3 NLE 26 HG3 NLE 26 4.670 -9.533 2.349
218 HD2 NLE 26 HD2 NLE 26 6.510 -9.143 0.875
219 HD3 NLE 26 HD3 NLE 26 6.614 -10.816 1.431
220 HE1 NLE 26 HE1 NLE 26 5.473 -9.936 -1.267
221 HE2 NLE 26 HE2 NLE 26 7.122 -10.541 -1.004
222 HE3 NLE 26 HE3 NLE 26 5.740 -11.614 -0.736
223 H GLY 27 H GLY 27 2.685 -12.531 4.193
224 HA2 GLY 27 HA2 GLY 27 2.325 -10.174 6.011
225 HA3 GLY 27 HA3 GLY 27 1.235 -11.563 6.065
226 H ALA 28 H ALA 28 4.473 -12.543 5.476
227 HA ALA 28 HA ALA 28 4.707 -13.906 7.982
228 HB1 ALA 28 HB1 ALA 28 6.950 -14.488 7.141
229 HB2 ALA 28 HB2 ALA 28 5.729 -14.674 5.869
230 HB3 ALA 28 HB3 ALA 28 6.810 -13.257 5.868
231 H SER 29 H SER 29 5.687 -10.684 7.031
232 HA SER 29 HA SER 29 6.966 -10.171 9.684
233 HB2 SER 29 HB2 SER 29 8.373 -9.342 7.139
234 HB3 SER 29 HB3 SER 29 8.889 -9.135 8.583
235 HG SER 29 HG SER 29 9.031 -11.407 8.883
236 H GLY 30 H GLY 30 4.388 -9.151 8.086
237 HA2 GLY 30 HA2 GLY 30 4.537 -6.396 8.952
238 HA3 GLY 30 HA3 GLY 30 4.795 -6.528 7.216
239 HA PRO 31 HA PRO 31 0.287 -6.013 8.516
240 HB2 PRO 31 HB2 PRO 31 -0.313 -3.672 7.337
241 HB3 PRO 31 HB3 PRO 31 0.417 -3.731 8.664
242 HG2 PRO 31 HG2 PRO 31 1.940 -3.164 6.167
243 HG3 PRO 31 HG3 PRO 31 2.075 -2.508 7.458
244 HD2 PRO 31 HD2 PRO 31 3.832 -4.522 7.266
245 HD3 PRO 31 HD3 PRO 31 3.224 -4.214 8.629
246 H ASN 32 H ASN 32 -1.351 -6.999 7.511
247 HA ASN 32 HA ASN 32 -1.595 -7.145 4.577
248 HB2 ASN 32 HB2 ASN 32 -1.056 -9.496 4.468
249 HB3 ASN 32 HB3 ASN 32 0.130 -8.837 5.160
250 HD21 ASN 32 HD21 ASN 32 0.530 -9.101 7.518
251 HD22 ASN 32 HD22 ASN 32 -0.279 -10.426 8.338
252 H LYS 33 H LYS 33 -3.281 -6.510 7.176
253 HA LYS 33 HA LYS 33 -5.616 -8.325 6.657
254 HB2 LYS 33 HB2 LYS 33 -4.827 -7.245 9.338
255 HB3 LYS 33 HB3 LYS 33 -6.074 -8.130 9.105
256 HG2 LYS 33 HG2 LYS 33 -3.298 -9.220 8.829
257 HG3 LYS 33 HG3 LYS 33 -4.283 -9.506 9.985
258 HD2 LYS 33 HD2 LYS 33 -5.913 -10.505 8.126
259 HD3 LYS 33 HD3 LYS 33 -4.798 -10.350 7.101
260 HE2 LYS 33 HE2 LYS 33 -3.232 -11.782 8.689
261 HE3 LYS 33 HE3 LYS 33 -4.400 -11.966 9.654
262 HZ1 LYS 33 HZ1 LYS 33 -5.728 -13.067 7.914
263 HZ2 LYS 33 HZ2 LYS 33 -4.281 -13.806 8.076
264 HZ3 LYS 33 HZ3 LYS 33 -4.548 -12.813 6.809
265 H LYS 34 H LYS 34 -5.152 -5.771 5.425
266 HA LYS 34 HA LYS 34 -7.832 -4.572 5.891
267 HB2 LYS 34 HB2 LYS 34 -5.308 -2.917 5.760
268 HB3 LYS 34 HB3 LYS 34 -6.678 -2.283 5.443
269 HG2 LYS 34 HG2 LYS 34 -7.505 -2.992 7.805
270 HG3 LYS 34 HG3 LYS 34 -6.165 -3.622 8.125
271 HD2 LYS 34 HD2 LYS 34 -4.956 -1.406 7.755
272 HD3 LYS 34 HD3 LYS 34 -6.236 -0.706 7.242
273 HE2 LYS 34 HE2 LYS 34 -6.221 -0.082 9.587
274 HE3 LYS 34 HE3 LYS 34 -7.459 -0.951 9.367
275 HZ1 LYS 34 HZ1 LYS 34 -4.909 -2.078 10.410
276 HZ2 LYS 34 HZ2 LYS 34 -6.329 -2.891 10.307
277 HZ3 LYS 34 HZ3 LYS 34 -6.179 -1.632 11.329
278 H GLU 35 H GLU 35 -8.474 -3.236 4.016
279 HA GLU 35 HA GLU 35 -7.036 -3.651 1.473
280 HB2 GLU 35 HB2 GLU 35 -9.935 -4.410 1.553
281 HB3 GLU 35 HB3 GLU 35 -9.056 -4.363 0.278
282 HG2 GLU 35 HG2 GLU 35 -7.536 -6.188 1.430
283 HG3 GLU 35 HG3 GLU 35 -8.537 -6.300 2.571
284 H SER 36 H SER 36 -7.579 -2.063 -0.112
285 HA SER 36 HA SER 36 -8.024 0.520 0.755
286 HB2 SER 36 HB2 SER 36 -8.569 -0.280 -2.106
287 HB3 SER 36 HB3 SER 36 -8.195 1.124 -1.592
288 HG SER 36 HG SER 36 -6.392 -0.048 -2.377
289 H ARG 37 H ARG 37 -9.644 2.062 0.604
290 HA ARG 37 HA ARG 37 -12.476 1.231 0.125
291 HB2 ARG 37 HB2 ARG 37 -11.751 2.771 2.592
292 HB3 ARG 37 HB3 ARG 37 -13.168 2.267 2.255
293 HG2 ARG 37 HG2 ARG 37 -10.969 0.409 3.080
294 HG3 ARG 37 HG3 ARG 37 -12.137 0.851 3.977
295 HD2 ARG 37 HD2 ARG 37 -13.808 -0.377 2.563
296 HD3 ARG 37 HD3 ARG 37 -12.870 -0.501 1.364
297 HE ARG 37 HE ARG 37 -11.360 -1.792 3.284
298 HH11 ARG 37 HH11 ARG 37 -14.480 -2.302 1.777
299 HH12 ARG 37 HH12 ARG 37 -14.438 -4.022 2.052
300 HH21 ARG 37 HH21 ARG 37 -11.433 -3.979 3.718
301 HH22 ARG 37 HH22 ARG 37 -12.729 -4.946 3.079
302 H GLY 38 H GLY 38 -13.961 3.150 0.389
303 HA2 GLY 38 HA2 GLY 38 -13.012 5.834 -0.125
304 HA3 GLY 38 HA3 GLY 38 -13.679 5.082 -1.578
305 H ARG 39 H ARG 39 -15.004 7.200 -0.935
306 HA ARG 39 HA ARG 39 -17.448 6.427 0.644
307 HB2 ARG 39 HB2 ARG 39 -16.067 9.098 0.737
308 HB3 ARG 39 HB3 ARG 39 -17.464 8.873 1.355
309 HG2 ARG 39 HG2 ARG 39 -16.435 6.959 2.823
310 HG3 ARG 39 HG3 ARG 39 -15.057 7.268 2.294
311 HD2 ARG 39 HD2 ARG 39 -15.207 9.698 3.136
312 HD3 ARG 39 HD3 ARG 39 -16.697 9.531 3.504
313 HE ARG 39 HE ARG 39 -15.396 7.452 4.925
314 HH11 ARG 39 HH11 ARG 39 -15.396 10.956 4.943
315 HH12 ARG 39 HH12 ARG 39 -15.044 11.040 6.648
316 HH21 ARG 39 HH21 ARG 39 -14.964 7.631 7.101
317 HH22 ARG 39 HH22 ARG 39 -14.805 9.202 7.831
318 H GLY 40 H GLY 40 -16.751 6.839 -2.441
319 HA2 GLY 40 HA2 GLY 40 -19.402 7.308 -3.260
320 HA3 GLY 40 HA3 GLY 40 -18.590 8.872 -3.349
321 HN1 NH2 41 H1 NHE 41 -15.974 7.297 -4.192
322 HN2 NH2 41 H2 NHE 41 -16.283 6.974 -5.884
Start of MODEL 20
1 H1 VAL 1 H1 VAL 1 17.431 8.093 -8.230
2 H2 VAL 1 H2 VAL 1 16.593 9.464 -7.966
3 H3 VAL 1 H3 VAL 1 15.824 8.150 -8.556
4 HA VAL 1 HA VAL 1 15.308 8.465 -6.219
5 HB VAL 1 HB VAL 1 15.971 6.246 -5.326
6 HG11 VAL 1 HG11 VAL 1 14.651 4.942 -6.865
7 HG12 VAL 1 HG12 VAL 1 13.940 6.550 -6.697
8 HG13 VAL 1 HG13 VAL 1 14.866 6.131 -8.160
9 HG21 VAL 1 HG21 VAL 1 17.109 4.607 -6.687
10 HG22 VAL 1 HG22 VAL 1 17.368 5.766 -7.997
11 HG23 VAL 1 HG23 VAL 1 18.199 5.971 -6.435
12 H VAL 2 H VAL 2 16.018 8.347 -4.000
13 HA VAL 2 HA VAL 2 18.857 9.162 -3.506
14 HB VAL 2 HB VAL 2 18.069 10.873 -1.928
15 HG11 VAL 2 HG11 VAL 2 18.612 11.478 -4.266
16 HG12 VAL 2 HG12 VAL 2 16.892 11.323 -4.692
17 HG13 VAL 2 HG13 VAL 2 17.413 12.549 -3.523
18 HG21 VAL 2 HG21 VAL 2 15.804 9.964 -1.391
19 HG22 VAL 2 HG22 VAL 2 15.756 11.652 -1.907
20 HG23 VAL 2 HG23 VAL 2 15.263 10.378 -3.035
21 H PHE 3 H PHE 3 17.521 6.570 -3.128
22 HA PHE 3 HA PHE 3 16.887 5.002 -1.658
23 HB2 PHE 3 HB2 PHE 3 19.466 5.261 -1.301
24 HB3 PHE 3 HB3 PHE 3 19.209 6.039 -0.017
25 HD1 PHE 3 HD1 PHE 3 19.373 4.835 1.997
26 HD2 PHE 3 HD2 PHE 3 17.823 2.824 -1.490
27 HE1 PHE 3 HE1 PHE 3 19.139 2.727 3.304
28 HE2 PHE 3 HE2 PHE 3 17.567 0.734 -0.180
29 HZ PHE 3 HZ PHE 3 18.225 0.676 2.215
30 H TYR 4 H TYR 4 15.306 7.230 -1.405
31 HA TYR 4 HA TYR 4 13.594 8.064 -0.183
32 HB2 TYR 4 HB2 TYR 4 13.500 5.341 1.040
33 HB3 TYR 4 HB3 TYR 4 12.300 6.284 0.892
34 HD1 TYR 4 HD1 TYR 4 11.447 7.084 -1.409
35 HD2 TYR 4 HD2 TYR 4 14.290 3.872 -0.913
36 HE1 TYR 4 HE1 TYR 4 10.957 6.288 -3.719
37 HE2 TYR 4 HE2 TYR 4 13.807 3.088 -3.224
38 HH TYR 4 HH TYR 4 12.589 3.428 -5.136
39 H VAL 5 H VAL 5 16.099 8.739 1.115
40 HA VAL 5 HA VAL 5 16.099 8.502 3.893
41 HB VAL 5 HB VAL 5 17.593 10.501 3.902
42 HG11 VAL 5 HG11 VAL 5 19.382 9.466 2.604
43 HG12 VAL 5 HG12 VAL 5 18.480 8.257 3.536
44 HG13 VAL 5 HG13 VAL 5 18.213 8.408 1.787
45 HG21 VAL 5 HG21 VAL 5 18.288 11.535 1.819
46 HG22 VAL 5 HG22 VAL 5 17.137 10.567 0.885
47 HG23 VAL 5 HG23 VAL 5 16.549 11.788 2.038
48 H ALA 6 H ALA 6 13.676 10.201 2.317
49 HA ALA 6 HA ALA 6 12.985 11.596 4.870
50 HB1 ALA 6 HB1 ALA 6 11.743 13.234 3.540
51 HB2 ALA 6 HB2 ALA 6 13.457 13.200 3.074
52 HB3 ALA 6 HB3 ALA 6 12.236 12.420 2.038
53 H LEU 7 H LEU 7 11.715 9.590 2.190
54 HA LEU 7 HA LEU 7 9.034 9.393 3.209
55 HB2 LEU 7 HB2 LEU 7 10.214 8.709 0.867
56 HB3 LEU 7 HB3 LEU 7 10.410 7.329 1.463
57 HG LEU 7 HG LEU 7 7.654 8.628 1.276
58 HD11 LEU 7 HD11 LEU 7 7.311 7.099 -0.618
59 HD12 LEU 7 HD12 LEU 7 8.963 6.467 -0.427
60 HD13 LEU 7 HD13 LEU 7 8.698 8.156 -0.914
61 HD21 LEU 7 HD21 LEU 7 6.772 6.321 1.581
62 HD22 LEU 7 HD22 LEU 7 7.580 6.923 3.020
63 HD23 LEU 7 HD23 LEU 7 8.415 5.754 1.966
64 H THR 8 H THR 8 11.893 7.199 3.465
65 HA THR 8 HA THR 8 10.630 5.323 5.245
66 HB THR 8 HB THR 8 13.589 5.860 4.790
67 HG1 THR 8 HG1 THR 8 13.353 4.216 3.252
68 HG21 THR 8 HG21 THR 8 12.123 3.357 5.767
69 HG22 THR 8 HG22 THR 8 13.257 4.337 6.720
70 HG23 THR 8 HG23 THR 8 13.841 3.437 5.322
71 H ALA 9 H ALA 9 12.170 8.419 5.822
72 HA ALA 9 HA ALA 9 12.573 7.821 8.704
73 HB1 ALA 9 HB1 ALA 9 14.068 9.757 8.640
74 HB2 ALA 9 HB2 ALA 9 14.490 8.582 7.383
75 HB3 ALA 9 HB3 ALA 9 13.626 10.069 6.951
76 H VAL 10 H VAL 10 11.521 10.829 6.952
77 HA VAL 10 HA VAL 10 10.296 11.827 9.393
78 HB VAL 10 HB VAL 10 9.813 13.109 6.695
79 HG11 VAL 10 HG11 VAL 10 8.710 14.052 8.796
80 HG12 VAL 10 HG12 VAL 10 10.321 14.220 9.520
81 HG13 VAL 10 HG13 VAL 10 9.876 15.155 8.073
82 HG21 VAL 10 HG21 VAL 10 12.257 12.745 6.628
83 HG22 VAL 10 HG22 VAL 10 11.928 14.416 7.028
84 HG23 VAL 10 HG23 VAL 10 12.415 13.299 8.318
85 H NLE 11 H NLE 11 9.092 10.477 6.335
86 HA NLE 11 HA NLE 11 6.290 10.533 7.274
87 HB2 NLE 11 HB2 NLE 11 7.347 9.263 4.731
88 HB3 NLE 11 HB3 NLE 11 5.687 9.647 5.148
89 HG2 NLE 11 HG2 NLE 11 6.320 12.103 5.170
90 HG3 NLE 11 HG3 NLE 11 7.933 11.636 4.624
91 HD2 NLE 11 HD2 NLE 11 6.813 12.280 2.665
92 HD3 NLE 11 HD3 NLE 11 6.838 10.517 2.614
93 HE1 NLE 11 HE1 NLE 11 4.647 11.410 1.918
94 HE2 NLE 11 HE2 NLE 11 4.460 10.481 3.413
95 HE3 NLE 11 HE3 NLE 11 4.472 12.256 3.472
96 H VAL 12 H VAL 12 8.616 8.842 8.447
97 HA VAL 12 HA VAL 12 9.084 6.758 9.220
98 HB VAL 12 HB VAL 12 7.424 5.991 10.846
99 HG11 VAL 12 HG11 VAL 12 8.961 7.847 11.357
100 HG12 VAL 12 HG12 VAL 12 7.742 9.011 10.799
101 HG13 VAL 12 HG13 VAL 12 7.419 7.987 12.211
102 HG21 VAL 12 HG21 VAL 12 5.591 8.193 9.807
103 HG22 VAL 12 HG22 VAL 12 5.311 6.459 9.564
104 HG23 VAL 12 HG23 VAL 12 5.321 7.129 11.199
105 H ALA 13 H ALA 13 8.625 6.372 6.545
106 HA ALA 13 HA ALA 13 8.281 4.813 4.988
107 HB1 ALA 13 HB1 ALA 13 9.793 3.534 6.494
108 HB2 ALA 13 HB2 ALA 13 8.372 2.777 7.241
109 HB3 ALA 13 HB3 ALA 13 8.723 2.503 5.525
110 H VAL 14 H VAL 14 5.964 6.130 5.766
111 HA VAL 14 HA VAL 14 3.603 4.790 6.070
112 HB VAL 14 HB VAL 14 3.795 7.185 5.747
113 HG11 VAL 14 HG11 VAL 14 4.069 6.648 2.757
114 HG12 VAL 14 HG12 VAL 14 3.863 8.219 3.541
115 HG13 VAL 14 HG13 VAL 14 5.339 7.298 3.820
116 HG21 VAL 14 HG21 VAL 14 1.722 7.576 4.600
117 HG22 VAL 14 HG22 VAL 14 1.812 6.010 3.777
118 HG23 VAL 14 HG23 VAL 14 1.591 6.083 5.537
119 H ALA 15 H ALA 15 5.595 4.556 3.157
120 HA ALA 15 HA ALA 15 3.844 3.281 1.384
121 HB1 ALA 15 HB1 ALA 15 6.842 2.889 1.791
122 HB2 ALA 15 HB2 ALA 15 5.921 2.418 0.346
123 HB3 ALA 15 HB3 ALA 15 6.060 4.131 0.779
124 H LEU 16 H LEU 16 5.564 1.780 4.168
125 HA LEU 16 HA LEU 16 5.018 -0.958 3.409
126 HB2 LEU 16 HB2 LEU 16 6.697 -0.179 5.170
127 HB3 LEU 16 HB3 LEU 16 5.586 0.359 6.098
128 HG LEU 16 HG LEU 16 4.588 -1.865 6.503
129 HD11 LEU 16 HD11 LEU 16 5.798 -3.910 5.764
130 HD12 LEU 16 HD12 LEU 16 6.841 -2.910 4.731
131 HD13 LEU 16 HD13 LEU 16 5.098 -3.031 4.404
132 HD21 LEU 16 HD21 LEU 16 6.442 -2.793 7.811
133 HD22 LEU 16 HD22 LEU 16 6.384 -1.028 7.955
134 HD23 LEU 16 HD23 LEU 16 7.601 -1.791 6.908
135 H TYR 17 H TYR 17 3.360 1.310 5.627
136 HA TYR 17 HA TYR 17 1.218 -0.456 6.342
137 HB2 TYR 17 HB2 TYR 17 1.085 2.534 6.494
138 HB3 TYR 17 HB3 TYR 17 0.179 1.556 7.267
139 HD1 TYR 17 HD1 TYR 17 0.971 0.168 9.197
140 HD2 TYR 17 HD2 TYR 17 3.591 2.928 7.162
141 HE1 TYR 17 HE1 TYR 17 2.566 0.080 11.112
142 HE2 TYR 17 HE2 TYR 17 5.172 2.845 9.062
143 HH TYR 17 HH TYR 17 5.620 1.972 11.132
144 H ALA 18 H ALA 18 1.530 2.026 3.781
145 HA ALA 18 HA ALA 18 -1.110 1.759 2.702
146 HB1 ALA 18 HB1 ALA 18 -0.128 2.868 0.734
147 HB2 ALA 18 HB2 ALA 18 0.394 3.656 2.237
148 HB3 ALA 18 HB3 ALA 18 1.509 2.580 1.365
149 H TYR 19 H TYR 19 1.988 0.181 1.604
150 HA TYR 19 HA TYR 19 0.856 -1.484 -0.371
151 HB2 TYR 19 HB2 TYR 19 3.355 -1.101 0.255
152 HB3 TYR 19 HB3 TYR 19 3.233 -2.061 1.439
153 HD1 TYR 19 HD1 TYR 19 2.970 -4.542 1.175
154 HD2 TYR 19 HD2 TYR 19 3.285 -1.902 -2.225
155 HE1 TYR 19 HE1 TYR 19 3.519 -6.486 -0.292
156 HE2 TYR 19 HE2 TYR 19 3.836 -3.841 -3.683
157 HH TYR 19 HH TYR 19 4.175 -6.094 -3.793
158 H GLY 20 H GLY 20 1.126 -2.031 3.132
159 HA2 GLY 20 HA2 GLY 20 0.161 -4.670 3.296
160 HA3 GLY 20 HA3 GLY 20 0.070 -3.440 4.559
161 H LEU 21 H LEU 21 -1.720 -2.122 2.112
162 HA LEU 21 HA LEU 21 -4.053 -3.912 2.287
163 HB2 LEU 21 HB2 LEU 21 -5.531 -2.278 3.158
164 HB3 LEU 21 HB3 LEU 21 -4.305 -2.364 4.138
165 HG LEU 21 HG LEU 21 -3.338 -0.261 2.819
166 HD11 LEU 21 HD11 LEU 21 -5.126 -0.190 1.066
167 HD12 LEU 21 HD12 LEU 21 -5.144 1.253 2.078
168 HD13 LEU 21 HD13 LEU 21 -6.349 -0.025 2.339
169 HD21 LEU 21 HD21 LEU 21 -5.684 -0.129 4.762
170 HD22 LEU 21 HD22 LEU 21 -4.535 1.189 4.421
171 HD23 LEU 21 HD23 LEU 21 -3.964 -0.296 5.187
172 H ABA 22 H ABU 22 -2.369 -1.348 0.542
173 HA ABA 22 HA ABU 22 -4.189 -1.385 -1.732
174 HB3 ABA 22 HB3 ABU 22 -2.351 -0.105 -2.831
175 HB2 ABA 22 HB2 ABU 22 -1.349 -0.333 -1.394
176 HG1 ABA 22 HG1 ABU 22 -2.457 1.886 -1.415
177 HG3 ABA 22 HG3 ABU 22 -3.039 0.930 -0.042
178 HG2 ABA 22 HG2 ABU 22 -4.050 1.104 -1.494
179 H PHE 23 H PHE 23 -1.650 -3.482 -0.678
180 HA PHE 23 HA PHE 23 -1.813 -5.020 -3.243
181 HB2 PHE 23 HB2 PHE 23 0.630 -4.021 -1.893
182 HB3 PHE 23 HB3 PHE 23 0.736 -5.525 -2.239
183 HD1 PHE 23 HD1 PHE 23 0.720 -6.448 -4.512
184 HD2 PHE 23 HD2 PHE 23 0.479 -2.206 -3.787
185 HE1 PHE 23 HE1 PHE 23 1.387 -6.007 -6.868
186 HE2 PHE 23 HE2 PHE 23 1.153 -1.766 -6.143
187 HZ PHE 23 HZ PHE 23 1.609 -3.665 -7.683
188 H ARG 24 H ARG 24 -0.789 -5.186 0.185
189 HA ARG 24 HA ARG 24 -0.489 -6.928 1.604
190 HB2 ARG 24 HB2 ARG 24 -2.601 -7.869 2.332
191 HB3 ARG 24 HB3 ARG 24 -2.611 -6.279 2.212
192 HG2 ARG 24 HG2 ARG 24 -4.680 -6.803 1.273
193 HG3 ARG 24 HG3 ARG 24 -3.887 -6.358 0.080
194 HD2 ARG 24 HD2 ARG 24 -3.448 -8.925 -0.456
195 HD3 ARG 24 HD3 ARG 24 -4.247 -9.304 0.800
196 HE ARG 24 HE ARG 24 -6.312 -8.605 -0.140
197 HH11 ARG 24 HH11 ARG 24 -3.725 -7.778 -2.396
198 HH12 ARG 24 HH12 ARG 24 -4.851 -7.618 -3.714
199 HH21 ARG 24 HH21 ARG 24 -7.656 -8.173 -1.778
200 HH22 ARG 24 HH22 ARG 24 -7.027 -7.842 -3.379
201 H LEU 25 H LEU 25 0.575 -7.597 -0.856
202 HA LEU 25 HA LEU 25 -0.039 -10.243 -1.717
203 HB2 LEU 25 HB2 LEU 25 1.257 -8.327 -2.904
204 HB3 LEU 25 HB3 LEU 25 2.505 -8.593 -2.025
205 HG LEU 25 HG LEU 25 2.843 -10.880 -2.925
206 HD11 LEU 25 HD11 LEU 25 0.535 -11.545 -3.444
207 HD12 LEU 25 HD12 LEU 25 1.516 -11.609 -4.908
208 HD13 LEU 25 HD13 LEU 25 0.405 -10.244 -4.652
209 HD21 LEU 25 HD21 LEU 25 3.459 -10.210 -5.209
210 HD22 LEU 25 HD22 LEU 25 3.881 -8.954 -4.036
211 HD23 LEU 25 HD23 LEU 25 2.446 -8.753 -5.067
212 H NLE 26 H NLE 26 1.950 -9.115 0.888
213 HA NLE 26 HA NLE 26 2.564 -11.824 1.809
214 HB2 NLE 26 HB2 NLE 26 4.961 -11.396 2.071
215 HB3 NLE 26 HB3 NLE 26 4.474 -11.338 0.381
216 HG2 NLE 26 HG2 NLE 26 4.473 -8.809 0.510
217 HG3 NLE 26 HG3 NLE 26 5.018 -8.934 2.186
218 HD2 NLE 26 HD2 NLE 26 6.927 -8.466 0.835
219 HD3 NLE 26 HD3 NLE 26 7.074 -10.136 1.388
220 HE1 NLE 26 HE1 NLE 26 6.064 -9.284 -1.371
221 HE2 NLE 26 HE2 NLE 26 7.713 -9.828 -1.008
222 HE3 NLE 26 HE3 NLE 26 6.360 -10.955 -0.834
223 H GLY 27 H GLY 27 3.376 -11.804 4.049
224 HA2 GLY 27 HA2 GLY 27 2.751 -9.375 5.658
225 HA3 GLY 27 HA3 GLY 27 1.654 -10.756 5.743
226 H ALA 28 H ALA 28 4.922 -11.802 5.461
227 HA ALA 28 HA ALA 28 4.915 -12.950 8.087
228 HB1 ALA 28 HB1 ALA 28 7.170 -13.713 7.465
229 HB2 ALA 28 HB2 ALA 28 6.036 -13.948 6.124
230 HB3 ALA 28 HB3 ALA 28 7.190 -12.592 6.085
231 H SER 29 H SER 29 5.858 -9.778 7.090
232 HA SER 29 HA SER 29 6.893 -9.128 9.800
233 HB2 SER 29 HB2 SER 29 8.563 -8.480 7.349
234 HB3 SER 29 HB3 SER 29 8.840 -7.912 8.763
235 HG SER 29 HG SER 29 8.494 -10.637 8.880
236 H GLY 30 H GLY 30 4.389 -8.415 8.183
237 HA2 GLY 30 HA2 GLY 30 4.241 -5.692 9.015
238 HA3 GLY 30 HA3 GLY 30 4.466 -5.731 7.267
239 HA PRO 31 HA PRO 31 -0.109 -5.942 8.647
240 HB2 PRO 31 HB2 PRO 31 -0.542 -3.579 6.951
241 HB3 PRO 31 HB3 PRO 31 -1.102 -3.856 8.269
242 HG2 PRO 31 HG2 PRO 31 0.991 -2.238 8.532
243 HG3 PRO 31 HG3 PRO 31 0.803 -3.305 9.590
244 HD2 PRO 31 HD2 PRO 31 2.884 -3.690 7.474
245 HD3 PRO 31 HD3 PRO 31 2.960 -3.940 8.945
246 H ASN 32 H ASN 32 -1.589 -7.082 7.502
247 HA ASN 32 HA ASN 32 -1.558 -7.250 4.545
248 HB2 ASN 32 HB2 ASN 32 -0.776 -9.550 4.519
249 HB3 ASN 32 HB3 ASN 32 0.284 -8.726 5.229
250 HD21 ASN 32 HD21 ASN 32 0.698 -8.939 7.562
251 HD22 ASN 32 HD22 ASN 32 -0.009 -10.306 8.411
252 H LYS 33 H LYS 33 -3.524 -6.793 6.955
253 HA LYS 33 HA LYS 33 -5.634 -8.800 6.230
254 HB2 LYS 33 HB2 LYS 33 -5.159 -7.701 8.976
255 HB3 LYS 33 HB3 LYS 33 -6.296 -8.694 8.646
256 HG2 LYS 33 HG2 LYS 33 -3.428 -9.532 8.563
257 HG3 LYS 33 HG3 LYS 33 -4.452 -9.895 9.669
258 HD2 LYS 33 HD2 LYS 33 -5.887 -11.046 7.749
259 HD3 LYS 33 HD3 LYS 33 -4.744 -10.814 6.778
260 HE2 LYS 33 HE2 LYS 33 -3.123 -12.097 8.392
261 HE3 LYS 33 HE3 LYS 33 -4.255 -12.298 9.399
262 HZ1 LYS 33 HZ1 LYS 33 -5.544 -13.598 7.767
263 HZ2 LYS 33 HZ2 LYS 33 -4.041 -14.216 7.928
264 HZ3 LYS 33 HZ3 LYS 33 -4.422 -13.328 6.608
265 H LYS 34 H LYS 34 -5.205 -6.016 5.231
266 HA LYS 34 HA LYS 34 -8.023 -5.161 5.450
267 HB2 LYS 34 HB2 LYS 34 -5.791 -3.144 5.580
268 HB3 LYS 34 HB3 LYS 34 -7.275 -2.767 5.401
269 HG2 LYS 34 HG2 LYS 34 -7.710 -3.998 7.728
270 HG3 LYS 34 HG3 LYS 34 -6.219 -4.203 7.868
271 HD2 LYS 34 HD2 LYS 34 -5.875 -1.623 7.564
272 HD3 LYS 34 HD3 LYS 34 -7.404 -1.422 7.440
273 HE2 LYS 34 HE2 LYS 34 -7.151 -1.094 9.805
274 HE3 LYS 34 HE3 LYS 34 -7.845 -2.444 9.703
275 HZ1 LYS 34 HZ1 LYS 34 -4.889 -2.195 9.986
276 HZ2 LYS 34 HZ2 LYS 34 -5.710 -3.606 10.020
277 HZ3 LYS 34 HZ3 LYS 34 -5.921 -2.510 11.202
278 H GLU 35 H GLU 35 -8.559 -3.644 3.625
279 HA GLU 35 HA GLU 35 -6.942 -4.011 1.163
280 HB2 GLU 35 HB2 GLU 35 -9.854 -4.712 1.088
281 HB3 GLU 35 HB3 GLU 35 -8.901 -4.713 -0.126
282 HG2 GLU 35 HG2 GLU 35 -7.505 -6.555 1.138
283 HG3 GLU 35 HG3 GLU 35 -8.559 -6.611 2.231
284 H SER 36 H SER 36 -7.657 -2.554 -0.591
285 HA SER 36 HA SER 36 -8.334 0.103 0.205
286 HB2 SER 36 HB2 SER 36 -8.601 -0.920 -2.633
287 HB3 SER 36 HB3 SER 36 -8.563 0.566 -2.186
288 HG SER 36 HG SER 36 -6.492 -1.275 -2.283
289 H ARG 37 H ARG 37 -10.197 1.309 0.037
290 HA ARG 37 HA ARG 37 -12.813 0.060 -0.674
291 HB2 ARG 37 HB2 ARG 37 -12.505 1.592 1.887
292 HB3 ARG 37 HB3 ARG 37 -13.827 0.967 1.404
293 HG2 ARG 37 HG2 ARG 37 -11.537 -0.710 2.356
294 HG3 ARG 37 HG3 ARG 37 -12.809 -0.395 3.180
295 HD2 ARG 37 HD2 ARG 37 -14.242 -1.672 1.480
296 HD3 ARG 37 HD3 ARG 37 -13.062 -1.826 0.518
297 HE ARG 37 HE ARG 37 -12.394 -2.894 3.164
298 HH11 ARG 37 HH11 ARG 37 -13.844 -3.762 0.038
299 HH12 ARG 37 HH12 ARG 37 -13.466 -5.430 0.218
300 HH21 ARG 37 HH21 ARG 37 -11.947 -5.108 3.328
301 HH22 ARG 37 HH22 ARG 37 -12.290 -6.128 1.960
302 H GLY 38 H GLY 38 -14.581 1.808 -0.559
303 HA2 GLY 38 HA2 GLY 38 -13.836 4.575 -1.035
304 HA3 GLY 38 HA3 GLY 38 -14.242 3.727 -2.529
305 H ARG 39 H ARG 39 -15.745 5.766 -2.104
306 HA ARG 39 HA ARG 39 -18.358 4.872 -0.911
307 HB2 ARG 39 HB2 ARG 39 -17.249 7.649 -0.621
308 HB3 ARG 39 HB3 ARG 39 -18.628 7.207 -0.089
309 HG2 ARG 39 HG2 ARG 39 -17.402 5.431 1.398
310 HG3 ARG 39 HG3 ARG 39 -16.053 5.949 0.938
311 HD2 ARG 39 HD2 ARG 39 -16.687 8.345 1.780
312 HD3 ARG 39 HD3 ARG 39 -18.065 7.837 2.223
313 HE ARG 39 HE ARG 39 -16.326 6.036 3.497
314 HH11 ARG 39 HH11 ARG 39 -16.818 9.502 3.591
315 HH12 ARG 39 HH12 ARG 39 -16.233 9.635 5.228
316 HH21 ARG 39 HH21 ARG 39 -15.595 6.270 5.580
317 HH22 ARG 39 HH22 ARG 39 -15.566 7.842 6.323
318 H GLY 40 H GLY 40 -17.232 5.239 -3.816
319 HA2 GLY 40 HA2 GLY 40 -19.657 5.681 -5.118
320 HA3 GLY 40 HA3 GLY 40 -18.889 7.270 -5.055
321 HN1 NH2 41 H1 NHE 41 -16.099 5.920 -5.368
322 HN2 NH2 41 H2 NHE 41 -16.042 5.515 -7.070
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