Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653872 | 7asy RC | 34567 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 28 HT1 ARG 28 25.008 -6.312 -1.808
2 H2 ARG 28 HT2 ARG 28 24.045 -6.983 -0.592
3 H3 ARG 28 HT3 ARG 28 25.725 -6.930 -0.405
4 HA ARG 28 HA ARG 28 24.674 -5.238 0.930
5 HB2 ARG 28 HB2 ARG 28 26.881 -4.732 0.131
6 HB3 ARG 28 HB1 ARG 28 26.264 -4.269 -1.449
7 HG2 ARG 28 HG2 ARG 28 25.135 -2.732 0.770
8 HG3 ARG 28 HG1 ARG 28 26.877 -2.545 0.567
9 HD2 ARG 28 HD2 ARG 28 24.853 -2.216 -1.644
10 HD3 ARG 28 HD1 ARG 28 25.528 -0.884 -0.707
11 HE ARG 28 HE ARG 28 27.583 -2.475 -1.853
12 HH11 ARG 28 HH11 ARG 28 25.219 -0.035 -2.634
13 HH12 ARG 28 HH12 ARG 28 26.131 0.605 -3.960
14 HH21 ARG 28 HH21 ARG 28 28.788 -1.637 -3.594
15 HH22 ARG 28 HH22 ARG 28 28.159 -0.305 -4.505
16 H ARG 29 HN ARG 29 22.843 -4.181 1.207
17 HA ARG 29 HA ARG 29 21.202 -3.495 -1.094
18 HB2 ARG 29 HB2 ARG 29 20.592 -3.220 1.856
19 HB3 ARG 29 HB1 ARG 29 19.441 -3.062 0.535
20 HG2 ARG 29 HG2 ARG 29 19.771 -5.411 -0.042
21 HG3 ARG 29 HG1 ARG 29 20.937 -5.571 1.272
22 HD2 ARG 29 HD2 ARG 29 19.155 -4.921 2.867
23 HD3 ARG 29 HD1 ARG 29 18.007 -4.906 1.528
24 HE ARG 29 HE ARG 29 19.143 -7.393 1.444
25 HH11 ARG 29 HH11 ARG 29 17.438 -5.531 3.843
26 HH12 ARG 29 HH12 ARG 29 16.757 -6.919 4.623
27 HH21 ARG 29 HH21 ARG 29 18.253 -9.228 2.466
28 HH22 ARG 29 HH22 ARG 29 17.223 -9.021 3.842
29 H CYS 30 HN CYS 30 21.233 -1.546 -1.976
30 HA CYS 30 HA CYS 30 22.539 0.642 -0.565
31 HB2 CYS 30 HB2 CYS 30 22.923 -0.116 -3.051
32 HB3 CYS 30 HB1 CYS 30 21.493 0.860 -3.365
33 HG CYS 30 HG CYS 30 24.279 2.097 -1.813
34 H LEU 31 HN LEU 31 21.087 2.620 -2.276
35 HA LEU 31 HA LEU 31 19.259 3.576 -0.446
36 HB2 LEU 31 HB2 LEU 31 19.506 4.003 -3.411
37 HB3 LEU 31 HB1 LEU 31 18.271 4.815 -2.471
38 HG LEU 31 HG LEU 31 20.143 6.300 -2.795
39 HD11 LEU 31 HD11 LEU 31 20.665 6.856 -0.481
40 HD12 LEU 31 HD12 LEU 31 20.073 5.280 0.040
41 HD13 LEU 31 HD13 LEU 31 18.960 6.448 -0.669
42 HD21 LEU 31 HD21 LEU 31 21.822 4.179 -1.462
43 HD22 LEU 31 HD22 LEU 31 22.366 5.791 -1.925
44 HD23 LEU 31 HD23 LEU 31 21.884 4.634 -3.165
45 H PHE 32 HN PHE 32 18.833 1.103 -2.831
46 HA PHE 32 HA PHE 32 16.067 1.114 -3.162
47 HB2 PHE 32 HB2 PHE 32 17.751 -1.384 -2.977
48 HB3 PHE 32 HB1 PHE 32 16.274 -1.148 -3.904
49 HD1 PHE 32 HD1 PHE 32 16.330 0.473 -5.852
50 HD2 PHE 32 HD2 PHE 32 19.839 -0.962 -3.921
51 HE1 PHE 32 HE1 PHE 32 17.667 1.106 -7.819
52 HE2 PHE 32 HE2 PHE 32 21.183 -0.333 -5.883
53 HZ PHE 32 HZ PHE 32 20.097 0.703 -7.835
54 H LEU 33 HN LEU 33 17.946 0.413 -0.429
55 HA LEU 33 HA LEU 33 16.541 -1.462 1.006
56 HB2 LEU 33 HB2 LEU 33 18.704 -0.213 1.587
57 HB3 LEU 33 HB1 LEU 33 17.666 1.035 2.253
58 HG LEU 33 HG LEU 33 16.646 -0.923 3.647
59 HD11 LEU 33 HD11 LEU 33 18.340 -2.640 4.189
60 HD12 LEU 33 HD12 LEU 33 19.336 -2.033 2.864
61 HD13 LEU 33 HD13 LEU 33 17.755 -2.741 2.528
62 HD21 LEU 33 HD21 LEU 33 18.305 -0.527 5.399
63 HD22 LEU 33 HD22 LEU 33 17.858 0.973 4.585
64 HD23 LEU 33 HD23 LEU 33 19.394 0.190 4.210
65 H SER 34 HN SER 34 16.047 2.070 1.099
66 HA SER 34 HA SER 34 13.629 1.792 2.646
67 HB2 SER 34 HB2 SER 34 15.094 3.724 2.999
68 HB3 SER 34 HB1 SER 34 14.853 4.228 1.328
69 HG SER 34 HG SER 34 13.449 5.385 2.615
70 H LEU 35 HN LEU 35 14.467 2.074 -0.705
71 HA LEU 35 HA LEU 35 11.988 3.026 -1.678
72 HB2 LEU 35 HB2 LEU 35 14.205 2.981 -2.900
73 HB3 LEU 35 HB1 LEU 35 13.945 1.266 -3.152
74 HG LEU 35 HG LEU 35 13.374 2.887 -5.060
75 HD11 LEU 35 HD11 LEU 35 12.708 0.413 -4.644
76 HD12 LEU 35 HD12 LEU 35 11.924 1.336 -5.929
77 HD13 LEU 35 HD13 LEU 35 11.097 1.087 -4.391
78 HD21 LEU 35 HD21 LEU 35 10.876 3.220 -3.400
79 HD22 LEU 35 HD22 LEU 35 11.144 3.825 -5.035
80 HD23 LEU 35 HD23 LEU 35 12.080 4.476 -3.690
81 H PHE 36 HN PHE 36 13.151 -0.134 -0.784
82 HA PHE 36 HA PHE 36 11.048 -1.599 -2.064
83 HB2 PHE 36 HB2 PHE 36 13.236 -2.619 -1.585
84 HB3 PHE 36 HB1 PHE 36 12.948 -2.430 0.142
85 HD1 PHE 36 HD1 PHE 36 11.681 -4.118 -2.906
86 HD2 PHE 36 HD2 PHE 36 11.800 -4.064 1.348
87 HE1 PHE 36 HE1 PHE 36 10.600 -6.328 -2.851
88 HE2 PHE 36 HE2 PHE 36 10.719 -6.272 1.410
89 HZ PHE 36 HZ PHE 36 10.118 -7.408 -0.692
90 H SER 37 HN SER 37 11.309 0.194 0.828
91 HA SER 37 HA SER 37 9.428 -1.234 2.411
92 HB2 SER 37 HB2 SER 37 11.041 0.309 3.418
93 HB3 SER 37 HB1 SER 37 10.291 1.663 2.573
94 HG SER 37 HG SER 37 8.970 1.777 4.188
95 H PHE 38 HN PHE 38 9.131 1.047 -0.166
96 HA PHE 38 HA PHE 38 6.500 1.956 0.449
97 HB2 PHE 38 HB2 PHE 38 8.063 1.972 -2.140
98 HB3 PHE 38 HB1 PHE 38 6.503 2.760 -1.921
99 HD1 PHE 38 HD1 PHE 38 10.059 2.993 -1.426
100 HD2 PHE 38 HD2 PHE 38 6.304 4.639 -0.291
101 HE1 PHE 38 HE1 PHE 38 11.199 5.007 -0.593
102 HE2 PHE 38 HE2 PHE 38 7.437 6.657 0.544
103 HZ PHE 38 HZ PHE 38 9.888 6.843 0.394
104 H LEU 39 HN LEU 39 7.813 -0.744 -1.359
105 HA LEU 39 HA LEU 39 5.457 -1.474 -2.728
106 HB2 LEU 39 HB2 LEU 39 7.891 -3.035 -1.901
107 HB3 LEU 39 HB1 LEU 39 6.575 -3.766 -2.802
108 HG LEU 39 HG LEU 39 6.985 -1.872 -4.512
109 HD11 LEU 39 HD11 LEU 39 8.395 -0.393 -3.449
110 HD12 LEU 39 HD12 LEU 39 9.525 -1.329 -4.432
111 HD13 LEU 39 HD13 LEU 39 9.347 -1.679 -2.709
112 HD21 LEU 39 HD21 LEU 39 9.002 -4.079 -4.101
113 HD22 LEU 39 HD22 LEU 39 8.755 -3.185 -5.602
114 HD23 LEU 39 HD23 LEU 39 7.468 -4.210 -4.964
115 H ILE 40 HN ILE 40 6.456 -1.869 0.547
116 HA ILE 40 HA ILE 40 4.590 -4.012 1.107
117 HB ILE 40 HB ILE 40 6.240 -2.357 3.025
118 HG12 ILE 40 HG12 ILE 40 6.744 -5.144 1.963
119 HG13 ILE 40 HG11 ILE 40 7.562 -3.698 1.377
120 HG21 ILE 40 HG21 ILE 40 5.779 -4.134 4.631
121 HG22 ILE 40 HG22 ILE 40 4.779 -4.964 3.438
122 HG23 ILE 40 HG23 ILE 40 4.280 -3.392 4.068
123 HD11 ILE 40 HD11 ILE 40 8.966 -4.890 2.934
124 HD12 ILE 40 HD12 ILE 40 7.704 -4.823 4.163
125 HD13 ILE 40 HD13 ILE 40 8.486 -3.338 3.621
126 H VAL 41 HN VAL 41 4.968 -0.622 2.163
127 HA VAL 41 HA VAL 41 2.541 -0.477 3.567
128 HB VAL 41 HB VAL 41 4.488 1.166 3.657
129 HG11 VAL 41 HG11 VAL 41 4.569 1.563 1.205
130 HG12 VAL 41 HG12 VAL 41 4.475 3.042 2.160
131 HG13 VAL 41 HG13 VAL 41 3.038 2.431 1.336
132 HG21 VAL 41 HG21 VAL 41 1.662 2.196 3.460
133 HG22 VAL 41 HG22 VAL 41 3.005 3.073 4.194
134 HG23 VAL 41 HG23 VAL 41 2.457 1.550 4.896
135 H ALA 42 HN ALA 42 3.236 -0.357 0.187
136 HA ALA 42 HA ALA 42 1.112 1.119 -0.817
137 HB1 ALA 42 HB1 ALA 42 1.384 -0.160 -2.879
138 HB2 ALA 42 HB2 ALA 42 2.358 -1.351 -2.017
139 HB3 ALA 42 HB3 ALA 42 2.945 0.301 -2.204
140 H GLY 43 HN GLY 43 1.197 -2.201 0.342
141 HA2 GLY 43 HA2 GLY 43 -1.451 -2.839 -0.563
142 HA3 GLY 43 HA1 GLY 43 -0.468 -3.791 0.540
143 H ALA 44 HN ALA 44 -0.060 -1.541 2.373
144 HA ALA 44 HA ALA 44 -2.406 -1.920 3.970
145 HB1 ALA 44 HB1 ALA 44 -0.181 -1.779 4.976
146 HB2 ALA 44 HB2 ALA 44 -1.257 -0.541 5.622
147 HB3 ALA 44 HB3 ALA 44 -0.035 -0.111 4.425
148 H THR 45 HN THR 45 -1.180 0.579 1.869
149 HA THR 45 HA THR 45 -2.985 2.620 2.769
150 HB THR 45 HB THR 45 -2.241 3.880 0.789
151 HG1 THR 45 HG1 THR 45 -1.957 2.229 -0.710
152 HG21 THR 45 HG21 THR 45 0.043 2.534 2.240
153 HG22 THR 45 HG22 THR 45 -0.873 3.920 2.830
154 HG23 THR 45 HG23 THR 45 0.121 4.071 1.381
155 H THR 46 HN THR 46 -3.085 0.033 0.466
156 HA THR 46 HA THR 46 -5.174 1.004 -1.177
157 HB THR 46 HB THR 46 -4.465 -1.878 -0.586
158 HG1 THR 46 HG1 THR 46 -3.383 0.059 -2.322
159 HG21 THR 46 HG21 THR 46 -5.527 -2.370 -2.717
160 HG22 THR 46 HG22 THR 46 -5.897 -0.662 -2.952
161 HG23 THR 46 HG23 THR 46 -6.674 -1.560 -1.648
162 H LEU 47 HN LEU 47 -5.118 -0.870 1.807
163 HA LEU 47 HA LEU 47 -7.814 -1.601 1.917
164 HB2 LEU 47 HB2 LEU 47 -5.804 -2.273 3.417
165 HB3 LEU 47 HB1 LEU 47 -6.224 -0.856 4.357
166 HG LEU 47 HG LEU 47 -7.125 -2.977 5.281
167 HD11 LEU 47 HD11 LEU 47 -9.314 -2.143 5.790
168 HD12 LEU 47 HD12 LEU 47 -9.287 -1.086 4.380
169 HD13 LEU 47 HD13 LEU 47 -8.188 -0.787 5.726
170 HD21 LEU 47 HD21 LEU 47 -8.844 -2.976 2.803
171 HD22 LEU 47 HD22 LEU 47 -9.002 -4.068 4.179
172 HD23 LEU 47 HD23 LEU 47 -7.558 -4.126 3.168
173 H PHE 48 HN PHE 48 -6.156 1.295 3.108
174 HA PHE 48 HA PHE 48 -8.462 2.506 4.228
175 HB2 PHE 48 HB2 PHE 48 -5.753 3.539 3.419
176 HB3 PHE 48 HB1 PHE 48 -7.000 4.621 4.031
177 HD1 PHE 48 HD1 PHE 48 -4.577 2.058 4.861
178 HD2 PHE 48 HD2 PHE 48 -7.812 4.393 6.343
179 HE1 PHE 48 HE1 PHE 48 -3.928 1.488 7.165
180 HE2 PHE 48 HE2 PHE 48 -7.167 3.828 8.649
181 HZ PHE 48 HZ PHE 48 -5.223 2.374 9.063
182 H CYS 49 HN CYS 49 -6.730 3.059 1.167
183 HA CYS 49 HA CYS 49 -8.477 5.027 0.173
184 HB2 CYS 49 HB2 CYS 49 -6.705 3.092 -1.333
185 HB3 CYS 49 HB1 CYS 49 -7.468 4.517 -2.031
186 HG CYS 49 HG CYS 49 -5.604 5.161 0.673
187 H LEU 50 HN LEU 50 -8.753 1.592 0.349
188 HA LEU 50 HA LEU 50 -10.501 1.081 -1.775
189 HB2 LEU 50 HB2 LEU 50 -9.319 -0.448 0.101
190 HB3 LEU 50 HB1 LEU 50 -10.946 -0.396 0.753
191 HG LEU 50 HG LEU 50 -11.728 -1.178 -1.545
192 HD11 LEU 50 HD11 LEU 50 -8.758 -1.532 -1.802
193 HD12 LEU 50 HD12 LEU 50 -9.874 -0.743 -2.918
194 HD13 LEU 50 HD13 LEU 50 -9.905 -2.497 -2.735
195 HD21 LEU 50 HD21 LEU 50 -11.202 -3.519 -1.042
196 HD22 LEU 50 HD22 LEU 50 -11.690 -2.635 0.404
197 HD23 LEU 50 HD23 LEU 50 -9.986 -2.991 0.122
198 H LEU 51 HN LEU 51 -11.277 1.695 1.649
199 HA LEU 51 HA LEU 51 -14.070 1.807 1.278
200 HB2 LEU 51 HB2 LEU 51 -12.517 3.215 3.444
201 HB3 LEU 51 HB1 LEU 51 -14.183 2.671 3.507
202 HG LEU 51 HG LEU 51 -11.766 0.864 3.388
203 HD11 LEU 51 HD11 LEU 51 -13.616 1.505 5.681
204 HD12 LEU 51 HD12 LEU 51 -11.950 2.060 5.513
205 HD13 LEU 51 HD13 LEU 51 -12.291 0.341 5.706
206 HD21 LEU 51 HD21 LEU 51 -13.378 -0.921 3.882
207 HD22 LEU 51 HD22 LEU 51 -13.706 -0.147 2.332
208 HD23 LEU 51 HD23 LEU 51 -14.698 0.241 3.739
209 H HIS 52 HN HIS 52 -11.538 4.126 0.825
210 HA HIS 52 HA HIS 52 -13.169 6.464 0.907
211 HB2 HIS 52 HB2 HIS 52 -10.681 6.434 1.243
212 HB3 HIS 52 HB1 HIS 52 -10.504 6.109 -0.478
213 HD1 HIS 52 HD1 HIS 52 -11.206 8.821 1.950
214 HD2 HIS 52 HD2 HIS 52 -11.135 8.302 -2.172
215 HE1 HIS 52 HE1 HIS 52 -11.243 11.141 0.980
216 HE2 HIS 52 HE2 HIS 52 -11.142 10.804 -1.514
217 H PHE 53 HN PHE 53 -12.487 4.062 -1.476
218 HA PHE 53 HA PHE 53 -13.372 5.716 -3.692
219 HB2 PHE 53 HB2 PHE 53 -11.540 3.979 -3.883
220 HB3 PHE 53 HB1 PHE 53 -12.793 2.752 -3.727
221 HD1 PHE 53 HD1 PHE 53 -11.368 5.341 -5.877
222 HD2 PHE 53 HD2 PHE 53 -14.354 2.330 -5.518
223 HE1 PHE 53 HE1 PHE 53 -11.776 5.462 -8.301
224 HE2 PHE 53 HE2 PHE 53 -14.766 2.443 -7.940
225 HZ PHE 53 HZ PHE 53 -13.477 4.011 -9.335
226 H GLY 54 HN GLY 54 -14.649 3.310 -1.532
227 HA2 GLY 54 HA2 GLY 54 -17.000 3.158 -1.134
228 HA3 GLY 54 HA1 GLY 54 -17.281 3.652 -2.797
229 H VAL 55 HN VAL 55 -14.886 1.254 -2.029
230 HA VAL 55 HA VAL 55 -16.252 -0.690 -3.667
231 HB VAL 55 HB VAL 55 -13.749 -1.158 -2.057
232 HG11 VAL 55 HG11 VAL 55 -14.777 -2.369 -4.624
233 HG12 VAL 55 HG12 VAL 55 -14.773 -3.140 -3.036
234 HG13 VAL 55 HG13 VAL 55 -13.247 -2.767 -3.840
235 HG21 VAL 55 HG21 VAL 55 -13.422 0.881 -3.337
236 HG22 VAL 55 HG22 VAL 55 -13.980 0.074 -4.802
237 HG23 VAL 55 HG23 VAL 55 -12.476 -0.435 -4.034
238 H ILE 56 HN ILE 56 -18.105 -0.617 -2.020
239 HA ILE 56 HA ILE 56 -17.619 -2.642 0.069
240 HB ILE 56 HB ILE 56 -19.847 -0.630 0.167
241 HG12 ILE 56 HG12 ILE 56 -17.798 0.672 0.100
242 HG13 ILE 56 HG11 ILE 56 -18.444 0.690 1.735
243 HG21 ILE 56 HG21 ILE 56 -19.820 -1.158 2.561
244 HG22 ILE 56 HG22 ILE 56 -18.511 -2.308 2.283
245 HG23 ILE 56 HG23 ILE 56 -20.100 -2.591 1.570
246 HD11 ILE 56 HD11 ILE 56 -16.087 -0.860 0.702
247 HD12 ILE 56 HD12 ILE 56 -16.816 -1.140 2.283
248 HD13 ILE 56 HD13 ILE 56 -16.104 0.428 1.907
249 H GLY 57 HN GLY 57 -18.133 -4.374 -1.293
250 HA2 GLY 57 HA2 GLY 57 -21.002 -4.769 -1.651
251 HA3 GLY 57 HA1 GLY 57 -20.017 -4.844 -3.103
252 HA PRO 58 HA PRO 58 -19.280 -9.128 -2.384
253 HB2 PRO 58 HB2 PRO 58 -16.677 -9.423 -3.160
254 HB3 PRO 58 HB1 PRO 58 -18.020 -9.240 -4.292
255 HG2 PRO 58 HG2 PRO 58 -16.074 -7.189 -3.312
256 HG3 PRO 58 HG1 PRO 58 -16.699 -7.448 -4.952
257 HD2 PRO 58 HD2 PRO 58 -17.648 -5.498 -3.348
258 HD3 PRO 58 HD1 PRO 58 -18.685 -6.357 -4.505
259 H GLN 59 HN GLN 59 -16.263 -7.430 -1.506
260 HA GLN 59 HA GLN 59 -14.928 -7.525 0.326
261 HB2 GLN 59 HB2 GLN 59 -17.523 -8.259 1.692
262 HB3 GLN 59 HB1 GLN 59 -16.036 -7.830 2.529
263 HG2 GLN 59 HG2 GLN 59 -16.098 -5.616 1.484
264 HG3 GLN 59 HG1 GLN 59 -17.605 -6.050 0.675
265 HE21 GLN 59 HE21 GLN 59 -19.494 -6.223 1.881
266 HE22 GLN 59 HE22 GLN 59 -19.633 -5.566 3.473
267 H ARG 60 HN ARG 60 -13.494 -9.123 0.028
268 HA ARG 60 HA ARG 60 -14.175 -11.887 0.067
269 HB2 ARG 60 HB2 ARG 60 -12.269 -11.006 -1.221
270 HB3 ARG 60 HB1 ARG 60 -11.463 -10.564 0.278
271 HG2 ARG 60 HG2 ARG 60 -10.516 -12.602 -0.551
272 HG3 ARG 60 HG1 ARG 60 -11.431 -12.954 0.917
273 HD2 ARG 60 HD2 ARG 60 -13.285 -13.782 -0.396
274 HD3 ARG 60 HD1 ARG 60 -12.468 -13.327 -1.891
275 HE ARG 60 HE ARG 60 -10.852 -15.098 -0.390
276 HH11 ARG 60 HH11 ARG 60 -13.725 -15.020 -2.359
277 HH12 ARG 60 HH12 ARG 60 -13.574 -16.666 -2.875
278 HH21 ARG 60 HH21 ARG 60 -10.642 -17.267 -1.068
279 HH22 ARG 60 HH22 ARG 60 -11.819 -17.944 -2.142
Start of MODEL 2
1 H1 ARG 28 HT1 ARG 28 23.948 -1.896 6.195
2 H2 ARG 28 HT2 ARG 28 25.248 -1.182 7.007
3 H3 ARG 28 HT3 ARG 28 25.087 -0.988 5.336
4 HA ARG 28 HA ARG 28 23.228 0.060 7.388
5 HB2 ARG 28 HB2 ARG 28 25.383 1.250 7.320
6 HB3 ARG 28 HB1 ARG 28 25.196 1.492 5.590
7 HG2 ARG 28 HG2 ARG 28 22.975 2.471 7.250
8 HG3 ARG 28 HG1 ARG 28 24.513 3.309 7.455
9 HD2 ARG 28 HD2 ARG 28 24.604 3.577 4.971
10 HD3 ARG 28 HD1 ARG 28 22.969 2.920 4.889
11 HE ARG 28 HE ARG 28 22.946 5.043 6.695
12 HH11 ARG 28 HH11 ARG 28 23.457 4.497 3.293
13 HH12 ARG 28 HH12 ARG 28 22.884 6.063 2.825
14 HH21 ARG 28 HH21 ARG 28 22.194 7.106 6.088
15 HH22 ARG 28 HH22 ARG 28 22.168 7.545 4.413
16 H ARG 29 HN ARG 29 21.228 -0.029 6.594
17 HA ARG 29 HA ARG 29 20.567 -0.352 3.893
18 HB2 ARG 29 HB2 ARG 29 18.907 0.751 6.168
19 HB3 ARG 29 HB1 ARG 29 18.263 0.297 4.596
20 HG2 ARG 29 HG2 ARG 29 19.676 -1.587 6.472
21 HG3 ARG 29 HG1 ARG 29 17.925 -1.420 6.338
22 HD2 ARG 29 HD2 ARG 29 18.013 -2.108 4.012
23 HD3 ARG 29 HD1 ARG 29 19.771 -2.202 4.086
24 HE ARG 29 HE ARG 29 18.786 -3.871 6.069
25 HH11 ARG 29 HH11 ARG 29 18.677 -3.636 2.594
26 HH12 ARG 29 HH12 ARG 29 18.531 -5.345 2.353
27 HH21 ARG 29 HH21 ARG 29 18.594 -6.125 5.761
28 HH22 ARG 29 HH22 ARG 29 18.485 -6.759 4.153
29 H CYS 30 HN CYS 30 20.737 1.023 2.273
30 HA CYS 30 HA CYS 30 20.934 3.882 2.851
31 HB2 CYS 30 HB2 CYS 30 21.574 2.433 0.276
32 HB3 CYS 30 HB1 CYS 30 21.980 4.097 0.678
33 HG CYS 30 HG CYS 30 23.732 1.393 1.176
34 H LEU 31 HN LEU 31 20.351 4.446 -0.023
35 HA LEU 31 HA LEU 31 17.740 5.320 0.198
36 HB2 LEU 31 HB2 LEU 31 19.407 4.685 -2.226
37 HB3 LEU 31 HB1 LEU 31 17.804 5.381 -2.349
38 HG LEU 31 HG LEU 31 19.494 7.109 -2.561
39 HD11 LEU 31 HD11 LEU 31 18.043 7.280 0.075
40 HD12 LEU 31 HD12 LEU 31 17.389 7.713 -1.505
41 HD13 LEU 31 HD13 LEU 31 18.726 8.637 -0.820
42 HD21 LEU 31 HD21 LEU 31 20.999 7.670 -0.727
43 HD22 LEU 31 HD22 LEU 31 21.291 6.029 -1.302
44 HD23 LEU 31 HD23 LEU 31 20.404 6.293 0.200
45 H PHE 32 HN PHE 32 18.895 2.152 -0.511
46 HA PHE 32 HA PHE 32 16.750 1.076 -1.943
47 HB2 PHE 32 HB2 PHE 32 18.428 -0.332 0.147
48 HB3 PHE 32 HB1 PHE 32 17.497 -1.101 -1.134
49 HD1 PHE 32 HD1 PHE 32 18.339 -1.257 -3.350
50 HD2 PHE 32 HD2 PHE 32 20.462 0.947 -0.393
51 HE1 PHE 32 HE1 PHE 32 20.296 -1.156 -4.837
52 HE2 PHE 32 HE2 PHE 32 22.423 1.053 -1.876
53 HZ PHE 32 HZ PHE 32 22.350 -0.007 -4.091
54 H LEU 33 HN LEU 33 16.952 2.174 1.255
55 HA LEU 33 HA LEU 33 15.153 0.622 2.665
56 HB2 LEU 33 HB2 LEU 33 16.641 2.649 3.364
57 HB3 LEU 33 HB1 LEU 33 15.220 3.601 2.974
58 HG LEU 33 HG LEU 33 13.962 2.055 4.600
59 HD11 LEU 33 HD11 LEU 33 15.657 0.332 4.792
60 HD12 LEU 33 HD12 LEU 33 15.370 1.084 6.362
61 HD13 LEU 33 HD13 LEU 33 16.808 1.507 5.430
62 HD21 LEU 33 HD21 LEU 33 14.444 4.396 5.061
63 HD22 LEU 33 HD22 LEU 33 16.062 3.966 5.617
64 HD23 LEU 33 HD23 LEU 33 14.646 3.419 6.516
65 H SER 34 HN SER 34 14.494 3.561 0.771
66 HA SER 34 HA SER 34 11.767 3.751 1.182
67 HB2 SER 34 HB2 SER 34 13.325 4.444 -1.319
68 HB3 SER 34 HB1 SER 34 11.697 5.009 -0.947
69 HG SER 34 HG SER 34 13.397 5.480 1.106
70 H LEU 35 HN LEU 35 13.504 1.834 -1.238
71 HA LEU 35 HA LEU 35 11.249 0.944 -2.676
72 HB2 LEU 35 HB2 LEU 35 13.765 -0.658 -2.280
73 HB3 LEU 35 HB1 LEU 35 12.679 -0.673 -3.656
74 HG LEU 35 HG LEU 35 14.199 1.813 -2.964
75 HD11 LEU 35 HD11 LEU 35 15.635 -0.332 -3.110
76 HD12 LEU 35 HD12 LEU 35 16.114 1.092 -4.040
77 HD13 LEU 35 HD13 LEU 35 15.286 -0.247 -4.839
78 HD21 LEU 35 HD21 LEU 35 13.183 0.641 -5.555
79 HD22 LEU 35 HD22 LEU 35 13.997 2.194 -5.369
80 HD23 LEU 35 HD23 LEU 35 12.413 1.936 -4.638
81 H PHE 36 HN PHE 36 13.241 -0.856 -0.365
82 HA PHE 36 HA PHE 36 11.600 -3.076 -0.103
83 HB2 PHE 36 HB2 PHE 36 14.031 -2.622 0.687
84 HB3 PHE 36 HB1 PHE 36 13.268 -2.056 2.173
85 HD1 PHE 36 HD1 PHE 36 13.760 -4.979 -0.015
86 HD2 PHE 36 HD2 PHE 36 12.348 -3.574 3.746
87 HE1 PHE 36 HE1 PHE 36 13.618 -7.298 0.792
88 HE2 PHE 36 HE2 PHE 36 12.204 -5.891 4.561
89 HZ PHE 36 HZ PHE 36 12.839 -7.757 3.083
90 H SER 37 HN SER 37 11.022 0.076 0.989
91 HA SER 37 HA SER 37 9.137 -0.869 3.041
92 HB2 SER 37 HB2 SER 37 9.144 1.435 3.893
93 HB3 SER 37 HB1 SER 37 10.782 0.785 3.823
94 HG SER 37 HG SER 37 10.915 2.773 2.917
95 H PHE 38 HN PHE 38 9.342 0.444 -0.094
96 HA PHE 38 HA PHE 38 6.775 1.733 -0.119
97 HB2 PHE 38 HB2 PHE 38 8.557 2.496 -1.606
98 HB3 PHE 38 HB1 PHE 38 8.602 0.919 -2.389
99 HD1 PHE 38 HD1 PHE 38 7.146 0.400 -4.152
100 HD2 PHE 38 HD2 PHE 38 6.493 3.908 -1.832
101 HE1 PHE 38 HE1 PHE 38 5.460 1.158 -5.777
102 HE2 PHE 38 HE2 PHE 38 4.806 4.671 -3.452
103 HZ PHE 38 HZ PHE 38 4.288 3.295 -5.427
104 H LEU 39 HN LEU 39 8.051 -1.411 -1.074
105 HA LEU 39 HA LEU 39 5.720 -2.301 -2.420
106 HB2 LEU 39 HB2 LEU 39 8.100 -3.687 -1.235
107 HB3 LEU 39 HB1 LEU 39 6.751 -4.616 -1.865
108 HG LEU 39 HG LEU 39 7.128 -3.224 -4.029
109 HD11 LEU 39 HD11 LEU 39 9.677 -2.800 -4.193
110 HD12 LEU 39 HD12 LEU 39 9.592 -2.711 -2.430
111 HD13 LEU 39 HD13 LEU 39 8.646 -1.596 -3.417
112 HD21 LEU 39 HD21 LEU 39 7.500 -5.630 -3.847
113 HD22 LEU 39 HD22 LEU 39 9.092 -5.338 -3.147
114 HD23 LEU 39 HD23 LEU 39 8.761 -4.867 -4.814
115 H ILE 40 HN ILE 40 6.538 -2.009 0.908
116 HA ILE 40 HA ILE 40 4.564 -3.928 1.805
117 HB ILE 40 HB ILE 40 6.206 -1.947 3.392
118 HG12 ILE 40 HG12 ILE 40 6.551 -4.935 3.074
119 HG13 ILE 40 HG11 ILE 40 7.493 -3.734 2.197
120 HG21 ILE 40 HG21 ILE 40 4.121 -2.578 4.522
121 HG22 ILE 40 HG22 ILE 40 5.535 -3.231 5.350
122 HG23 ILE 40 HG23 ILE 40 4.544 -4.281 4.336
123 HD11 ILE 40 HD11 ILE 40 8.740 -4.588 4.080
124 HD12 ILE 40 HD12 ILE 40 7.441 -4.126 5.180
125 HD13 ILE 40 HD13 ILE 40 8.358 -2.885 4.327
126 H VAL 41 HN VAL 41 4.963 -0.397 1.793
127 HA VAL 41 HA VAL 41 2.455 0.110 3.053
128 HB VAL 41 HB VAL 41 4.436 1.697 2.988
129 HG11 VAL 41 HG11 VAL 41 3.319 2.393 0.274
130 HG12 VAL 41 HG12 VAL 41 4.832 1.528 0.553
131 HG13 VAL 41 HG13 VAL 41 4.653 3.191 1.108
132 HG21 VAL 41 HG21 VAL 41 3.020 3.689 2.975
133 HG22 VAL 41 HG22 VAL 41 2.238 2.354 3.821
134 HG23 VAL 41 HG23 VAL 41 1.736 2.776 2.185
135 H ALA 42 HN ALA 42 3.454 -0.511 -0.190
136 HA ALA 42 HA ALA 42 1.483 0.750 -1.682
137 HB1 ALA 42 HB1 ALA 42 1.929 -0.904 -3.408
138 HB2 ALA 42 HB2 ALA 42 2.745 -1.934 -2.232
139 HB3 ALA 42 HB3 ALA 42 3.433 -0.366 -2.660
140 H GLY 43 HN GLY 43 1.335 -2.201 0.203
141 HA2 GLY 43 HA2 GLY 43 -1.262 -2.948 -0.837
142 HA3 GLY 43 HA1 GLY 43 -0.381 -3.752 0.454
143 H ALA 44 HN ALA 44 0.001 -1.211 1.916
144 HA ALA 44 HA ALA 44 -2.469 -1.281 3.390
145 HB1 ALA 44 HB1 ALA 44 -1.358 0.219 4.945
146 HB2 ALA 44 HB2 ALA 44 -0.037 0.455 3.800
147 HB3 ALA 44 HB3 ALA 44 -0.300 -1.130 4.528
148 H THR 45 HN THR 45 -1.107 0.665 0.907
149 HA THR 45 HA THR 45 -2.687 3.010 1.440
150 HB THR 45 HB THR 45 -1.899 3.761 -0.808
151 HG1 THR 45 HG1 THR 45 -1.508 1.974 -1.981
152 HG21 THR 45 HG21 THR 45 0.539 3.844 -0.174
153 HG22 THR 45 HG22 THR 45 0.144 2.798 1.189
154 HG23 THR 45 HG23 THR 45 -0.579 4.400 1.070
155 H THR 46 HN THR 46 -3.034 0.080 -0.385
156 HA THR 46 HA THR 46 -5.160 0.998 -2.069
157 HB THR 46 HB THR 46 -4.397 -1.842 -1.358
158 HG1 THR 46 HG1 THR 46 -3.158 -1.752 -3.240
159 HG21 THR 46 HG21 THR 46 -6.661 -1.625 -2.297
160 HG22 THR 46 HG22 THR 46 -5.566 -2.445 -3.413
161 HG23 THR 46 HG23 THR 46 -5.995 -0.755 -3.680
162 H LEU 47 HN LEU 47 -5.047 -1.190 0.740
163 HA LEU 47 HA LEU 47 -7.798 -1.568 1.002
164 HB2 LEU 47 HB2 LEU 47 -6.169 -2.968 2.135
165 HB3 LEU 47 HB1 LEU 47 -5.636 -1.611 3.106
166 HG LEU 47 HG LEU 47 -8.506 -2.327 3.306
167 HD11 LEU 47 HD11 LEU 47 -6.323 -4.015 4.523
168 HD12 LEU 47 HD12 LEU 47 -7.472 -4.530 3.288
169 HD13 LEU 47 HD13 LEU 47 -8.041 -4.120 4.906
170 HD21 LEU 47 HD21 LEU 47 -6.391 -1.610 5.335
171 HD22 LEU 47 HD22 LEU 47 -8.121 -1.763 5.643
172 HD23 LEU 47 HD23 LEU 47 -7.523 -0.483 4.587
173 H PHE 48 HN PHE 48 -5.726 1.020 2.156
174 HA PHE 48 HA PHE 48 -7.591 2.181 3.944
175 HB2 PHE 48 HB2 PHE 48 -5.155 2.653 3.986
176 HB3 PHE 48 HB1 PHE 48 -5.318 3.526 2.467
177 HD1 PHE 48 HD1 PHE 48 -6.041 3.573 6.057
178 HD2 PHE 48 HD2 PHE 48 -6.305 5.717 2.391
179 HE1 PHE 48 HE1 PHE 48 -6.557 5.632 7.302
180 HE2 PHE 48 HE2 PHE 48 -6.821 7.779 3.628
181 HZ PHE 48 HZ PHE 48 -6.947 7.739 6.087
182 H CYS 49 HN CYS 49 -6.570 3.261 0.695
183 HA CYS 49 HA CYS 49 -8.526 5.241 0.409
184 HB2 CYS 49 HB2 CYS 49 -7.122 3.631 -1.733
185 HB3 CYS 49 HB1 CYS 49 -8.025 5.116 -2.012
186 HG CYS 49 HG CYS 49 -4.892 4.837 -1.426
187 H LEU 50 HN LEU 50 -8.654 1.795 -0.142
188 HA LEU 50 HA LEU 50 -10.893 1.618 -1.786
189 HB2 LEU 50 HB2 LEU 50 -9.229 -0.178 -0.634
190 HB3 LEU 50 HB1 LEU 50 -10.665 -0.414 0.347
191 HG LEU 50 HG LEU 50 -11.922 -0.703 -1.866
192 HD11 LEU 50 HD11 LEU 50 -10.431 -1.553 -3.700
193 HD12 LEU 50 HD12 LEU 50 -9.068 -0.882 -2.800
194 HD13 LEU 50 HD13 LEU 50 -10.340 0.184 -3.400
195 HD21 LEU 50 HD21 LEU 50 -11.229 -3.060 -2.046
196 HD22 LEU 50 HD22 LEU 50 -11.470 -2.558 -0.373
197 HD23 LEU 50 HD23 LEU 50 -9.837 -2.714 -1.021
198 H LEU 51 HN LEU 51 -10.735 1.605 1.771
199 HA LEU 51 HA LEU 51 -13.579 1.567 2.065
200 HB2 LEU 51 HB2 LEU 51 -11.247 1.837 3.904
201 HB3 LEU 51 HB1 LEU 51 -12.825 2.333 4.486
202 HG LEU 51 HG LEU 51 -12.276 0.032 5.146
203 HD11 LEU 51 HD11 LEU 51 -14.350 -1.015 4.418
204 HD12 LEU 51 HD12 LEU 51 -14.528 0.198 3.150
205 HD13 LEU 51 HD13 LEU 51 -14.610 0.676 4.846
206 HD21 LEU 51 HD21 LEU 51 -12.175 -1.743 3.477
207 HD22 LEU 51 HD22 LEU 51 -10.877 -0.574 3.237
208 HD23 LEU 51 HD23 LEU 51 -12.293 -0.547 2.186
209 H HIS 52 HN HIS 52 -11.192 4.015 1.643
210 HA HIS 52 HA HIS 52 -12.550 6.198 2.801
211 HB2 HIS 52 HB2 HIS 52 -10.169 6.291 2.241
212 HB3 HIS 52 HB1 HIS 52 -10.554 6.163 0.527
213 HD1 HIS 52 HD1 HIS 52 -10.945 8.302 -0.694
214 HD2 HIS 52 HD2 HIS 52 -11.116 8.787 3.430
215 HE1 HIS 52 HE1 HIS 52 -11.129 10.781 -0.315
216 HE2 HIS 52 HE2 HIS 52 -11.261 11.051 2.186
217 H PHE 53 HN PHE 53 -12.835 4.622 -0.314
218 HA PHE 53 HA PHE 53 -14.311 6.702 -1.582
219 HB2 PHE 53 HB2 PHE 53 -14.083 3.754 -2.210
220 HB3 PHE 53 HB1 PHE 53 -14.934 4.912 -3.227
221 HD1 PHE 53 HD1 PHE 53 -13.307 7.177 -3.492
222 HD2 PHE 53 HD2 PHE 53 -12.089 3.117 -3.117
223 HE1 PHE 53 HE1 PHE 53 -11.204 7.705 -4.654
224 HE2 PHE 53 HE2 PHE 53 -9.983 3.636 -4.277
225 HZ PHE 53 HZ PHE 53 -9.539 5.933 -5.047
226 H GLY 54 HN GLY 54 -15.104 4.705 0.944
227 HA2 GLY 54 HA2 GLY 54 -17.101 4.485 2.080
228 HA3 GLY 54 HA1 GLY 54 -17.864 5.469 0.840
229 H VAL 55 HN VAL 55 -16.080 2.682 -0.148
230 HA VAL 55 HA VAL 55 -18.239 1.538 -1.516
231 HB VAL 55 HB VAL 55 -15.729 0.139 -0.578
232 HG11 VAL 55 HG11 VAL 55 -17.445 -1.421 -1.298
233 HG12 VAL 55 HG12 VAL 55 -16.140 -1.360 -2.483
234 HG13 VAL 55 HG13 VAL 55 -17.660 -0.522 -2.800
235 HG21 VAL 55 HG21 VAL 55 -15.226 2.163 -1.862
236 HG22 VAL 55 HG22 VAL 55 -16.271 1.595 -3.164
237 HG23 VAL 55 HG23 VAL 55 -14.802 0.706 -2.761
238 H ILE 56 HN ILE 56 -16.706 0.544 1.545
239 HA ILE 56 HA ILE 56 -19.054 -1.138 2.105
240 HB ILE 56 HB ILE 56 -16.454 -1.170 3.616
241 HG12 ILE 56 HG12 ILE 56 -15.976 -1.678 1.265
242 HG13 ILE 56 HG11 ILE 56 -15.804 -3.119 2.260
243 HG21 ILE 56 HG21 ILE 56 -18.696 -3.167 3.374
244 HG22 ILE 56 HG22 ILE 56 -18.341 -2.153 4.774
245 HG23 ILE 56 HG23 ILE 56 -17.206 -3.412 4.285
246 HD11 ILE 56 HD11 ILE 56 -16.904 -3.637 0.169
247 HD12 ILE 56 HD12 ILE 56 -18.156 -2.441 0.507
248 HD13 ILE 56 HD13 ILE 56 -18.011 -3.877 1.521
249 H GLY 57 HN GLY 57 -20.241 0.830 2.638
250 HA2 GLY 57 HA2 GLY 57 -19.481 2.470 4.841
251 HA3 GLY 57 HA1 GLY 57 -21.068 2.413 4.089
252 HA PRO 58 HA PRO 58 -21.496 0.839 8.461
253 HB2 PRO 58 HB2 PRO 58 -24.214 1.917 7.916
254 HB3 PRO 58 HB1 PRO 58 -23.191 2.110 9.344
255 HG2 PRO 58 HG2 PRO 58 -23.513 4.118 7.628
256 HG3 PRO 58 HG1 PRO 58 -21.936 3.808 8.379
257 HD2 PRO 58 HD2 PRO 58 -22.879 3.168 5.613
258 HD3 PRO 58 HD1 PRO 58 -21.290 3.747 6.157
259 H GLN 59 HN GLN 59 -21.376 -1.311 7.741
260 HA GLN 59 HA GLN 59 -23.425 -2.544 6.197
261 HB2 GLN 59 HB2 GLN 59 -22.291 -4.663 6.836
262 HB3 GLN 59 HB1 GLN 59 -21.199 -3.462 6.160
263 HG2 GLN 59 HG2 GLN 59 -20.449 -2.874 8.407
264 HG3 GLN 59 HG1 GLN 59 -21.544 -4.078 9.086
265 HE21 GLN 59 HE21 GLN 59 -18.603 -3.541 7.324
266 HE22 GLN 59 HE22 GLN 59 -17.991 -5.152 7.451
267 H ARG 60 HN ARG 60 -24.689 -4.432 6.982
268 HA ARG 60 HA ARG 60 -26.378 -3.686 9.100
269 HB2 ARG 60 HB2 ARG 60 -26.048 -6.412 7.834
270 HB3 ARG 60 HB1 ARG 60 -27.417 -5.887 8.802
271 HG2 ARG 60 HG2 ARG 60 -27.994 -4.227 7.128
272 HG3 ARG 60 HG1 ARG 60 -26.589 -4.688 6.166
273 HD2 ARG 60 HD2 ARG 60 -27.513 -6.957 5.940
274 HD3 ARG 60 HD1 ARG 60 -28.931 -6.458 6.860
275 HE ARG 60 HE ARG 60 -28.917 -4.686 4.846
276 HH11 ARG 60 HH11 ARG 60 -28.615 -8.157 4.890
277 HH12 ARG 60 HH12 ARG 60 -29.350 -8.370 3.336
278 HH21 ARG 60 HH21 ARG 60 -29.884 -4.956 2.798
279 HH22 ARG 60 HH22 ARG 60 -30.072 -6.550 2.148
Start of MODEL 3
1 H1 ARG 28 HT1 ARG 28 21.849 -10.903 -1.323
2 H2 ARG 28 HT2 ARG 28 23.063 -11.090 -0.162
3 H3 ARG 28 HT3 ARG 28 23.322 -10.091 -1.502
4 HA ARG 28 HA ARG 28 21.298 -9.625 0.606
5 HB2 ARG 28 HB2 ARG 28 23.462 -9.278 1.567
6 HB3 ARG 28 HB1 ARG 28 24.030 -8.424 0.139
7 HG2 ARG 28 HG2 ARG 28 21.694 -7.257 1.522
8 HG3 ARG 28 HG1 ARG 28 23.236 -7.195 2.380
9 HD2 ARG 28 HD2 ARG 28 22.761 -6.196 -0.429
10 HD3 ARG 28 HD1 ARG 28 22.830 -5.179 1.010
11 HE ARG 28 HE ARG 28 25.180 -6.733 0.806
12 HH11 ARG 28 HH11 ARG 28 23.587 -3.997 -0.651
13 HH12 ARG 28 HH12 ARG 28 25.061 -3.250 -1.166
14 HH21 ARG 28 HH21 ARG 28 27.126 -5.756 0.134
15 HH22 ARG 28 HH22 ARG 28 27.074 -4.249 -0.720
16 H ARG 29 HN ARG 29 19.780 -8.185 0.100
17 HA ARG 29 HA ARG 29 19.582 -7.144 -2.533
18 HB2 ARG 29 HB2 ARG 29 18.026 -6.451 -0.034
19 HB3 ARG 29 HB1 ARG 29 17.592 -5.944 -1.660
20 HG2 ARG 29 HG2 ARG 29 17.281 -8.267 -2.315
21 HG3 ARG 29 HG1 ARG 29 17.756 -8.794 -0.700
22 HD2 ARG 29 HD2 ARG 29 15.320 -8.783 -0.979
23 HD3 ARG 29 HD1 ARG 29 15.846 -7.648 0.263
24 HE ARG 29 HE ARG 29 15.687 -6.175 -2.049
25 HH11 ARG 29 HH11 ARG 29 13.496 -8.125 -0.165
26 HH12 ARG 29 HH12 ARG 29 12.096 -7.205 -0.606
27 HH21 ARG 29 HH21 ARG 29 13.847 -4.959 -2.633
28 HH22 ARG 29 HH22 ARG 29 12.295 -5.407 -2.007
29 H CYS 30 HN CYS 30 20.444 -5.358 -3.349
30 HA CYS 30 HA CYS 30 22.104 -3.663 -1.813
31 HB2 CYS 30 HB2 CYS 30 22.334 -2.348 -3.890
32 HB3 CYS 30 HB1 CYS 30 22.551 -4.073 -4.172
33 HG CYS 30 HG CYS 30 20.172 -4.490 -5.430
34 H LEU 31 HN LEU 31 21.268 -1.185 -3.258
35 HA LEU 31 HA LEU 31 20.028 0.183 -1.254
36 HB2 LEU 31 HB2 LEU 31 20.109 0.627 -4.213
37 HB3 LEU 31 HB1 LEU 31 19.218 1.726 -3.178
38 HG LEU 31 HG LEU 31 21.478 2.550 -3.699
39 HD11 LEU 31 HD11 LEU 31 22.150 3.072 -1.403
40 HD12 LEU 31 HD12 LEU 31 21.056 1.826 -0.804
41 HD13 LEU 31 HD13 LEU 31 20.409 3.242 -1.633
42 HD21 LEU 31 HD21 LEU 31 22.422 0.129 -2.163
43 HD22 LEU 31 HD22 LEU 31 23.437 1.452 -2.738
44 HD23 LEU 31 HD23 LEU 31 22.621 0.400 -3.894
45 H PHE 32 HN PHE 32 18.479 -1.918 -3.560
46 HA PHE 32 HA PHE 32 15.865 -0.949 -3.477
47 HB2 PHE 32 HB2 PHE 32 16.877 -3.785 -3.731
48 HB3 PHE 32 HB1 PHE 32 15.190 -3.331 -3.948
49 HD1 PHE 32 HD1 PHE 32 15.109 -1.046 -5.557
50 HD2 PHE 32 HD2 PHE 32 17.918 -4.239 -5.711
51 HE1 PHE 32 HE1 PHE 32 15.547 -0.541 -7.925
52 HE2 PHE 32 HE2 PHE 32 18.363 -3.739 -8.078
53 HZ PHE 32 HZ PHE 32 17.178 -1.888 -9.188
54 H LEU 33 HN LEU 33 17.735 -2.388 -1.036
55 HA LEU 33 HA LEU 33 15.922 -3.712 0.571
56 HB2 LEU 33 HB2 LEU 33 18.499 -3.301 0.786
57 HB3 LEU 33 HB1 LEU 33 18.011 -1.932 1.768
58 HG LEU 33 HG LEU 33 16.693 -3.584 3.183
59 HD11 LEU 33 HD11 LEU 33 17.479 -5.918 3.079
60 HD12 LEU 33 HD12 LEU 33 18.372 -5.530 1.607
61 HD13 LEU 33 HD13 LEU 33 16.610 -5.427 1.626
62 HD21 LEU 33 HD21 LEU 33 19.695 -3.860 3.065
63 HD22 LEU 33 HD22 LEU 33 18.671 -4.271 4.441
64 HD23 LEU 33 HD23 LEU 33 18.803 -2.595 3.910
65 H SER 34 HN SER 34 16.752 -0.251 0.580
66 HA SER 34 HA SER 34 14.723 0.334 2.555
67 HB2 SER 34 HB2 SER 34 16.827 1.587 2.585
68 HB3 SER 34 HB1 SER 34 16.510 2.181 0.954
69 HG SER 34 HG SER 34 15.925 3.626 2.733
70 H LEU 35 HN LEU 35 15.037 0.362 -0.892
71 HA LEU 35 HA LEU 35 12.947 2.167 -1.496
72 HB2 LEU 35 HB2 LEU 35 14.767 1.304 -3.050
73 HB3 LEU 35 HB1 LEU 35 13.830 -0.172 -3.183
74 HG LEU 35 HG LEU 35 13.619 1.583 -5.043
75 HD11 LEU 35 HD11 LEU 35 12.126 -0.446 -4.404
76 HD12 LEU 35 HD12 LEU 35 11.566 0.728 -5.597
77 HD13 LEU 35 HD13 LEU 35 10.966 0.799 -3.939
78 HD21 LEU 35 HD21 LEU 35 11.960 3.313 -4.699
79 HD22 LEU 35 HD22 LEU 35 13.287 3.520 -3.555
80 HD23 LEU 35 HD23 LEU 35 11.759 2.824 -3.017
81 H PHE 36 HN PHE 36 13.032 -1.190 -0.609
82 HA PHE 36 HA PHE 36 10.444 -1.916 -1.502
83 HB2 PHE 36 HB2 PHE 36 12.195 -3.564 -0.965
84 HB3 PHE 36 HB1 PHE 36 12.108 -3.101 0.731
85 HD1 PHE 36 HD1 PHE 36 10.108 -4.536 -2.042
86 HD2 PHE 36 HD2 PHE 36 10.594 -4.132 2.166
87 HE1 PHE 36 HE1 PHE 36 8.346 -6.214 -1.682
88 HE2 PHE 36 HE2 PHE 36 8.832 -5.810 2.534
89 HZ PHE 36 HZ PHE 36 7.705 -6.854 0.609
90 H SER 37 HN SER 37 11.532 -0.019 1.119
91 HA SER 37 HA SER 37 9.550 -0.508 3.039
92 HB2 SER 37 HB2 SER 37 11.051 2.054 2.452
93 HB3 SER 37 HB1 SER 37 10.125 1.734 3.919
94 HG SER 37 HG SER 37 12.534 1.300 3.846
95 H PHE 38 HN PHE 38 9.502 1.390 0.108
96 HA PHE 38 HA PHE 38 7.090 2.803 0.748
97 HB2 PHE 38 HB2 PHE 38 8.611 2.435 -1.837
98 HB3 PHE 38 HB1 PHE 38 7.150 3.410 -1.706
99 HD1 PHE 38 HD1 PHE 38 10.706 3.251 -1.105
100 HD2 PHE 38 HD2 PHE 38 7.150 5.436 -0.279
101 HE1 PHE 38 HE1 PHE 38 12.060 5.180 -0.395
102 HE2 PHE 38 HE2 PHE 38 8.497 7.370 0.431
103 HZ PHE 38 HZ PHE 38 10.956 7.242 0.373
104 H LEU 39 HN LEU 39 7.895 -0.182 -0.899
105 HA LEU 39 HA LEU 39 5.388 -0.590 -2.148
106 HB2 LEU 39 HB2 LEU 39 7.657 -2.401 -1.395
107 HB3 LEU 39 HB1 LEU 39 6.168 -3.061 -2.048
108 HG LEU 39 HG LEU 39 6.557 -1.417 -4.006
109 HD11 LEU 39 HD11 LEU 39 9.142 -1.330 -2.527
110 HD12 LEU 39 HD12 LEU 39 8.246 -0.017 -3.292
111 HD13 LEU 39 HD13 LEU 39 9.127 -1.180 -4.284
112 HD21 LEU 39 HD21 LEU 39 6.739 -3.859 -4.172
113 HD22 LEU 39 HD22 LEU 39 8.405 -3.769 -3.600
114 HD23 LEU 39 HD23 LEU 39 7.963 -3.046 -5.147
115 H ILE 40 HN ILE 40 6.450 -0.895 1.100
116 HA ILE 40 HA ILE 40 4.501 -2.811 1.948
117 HB ILE 40 HB ILE 40 6.093 -0.830 3.585
118 HG12 ILE 40 HG12 ILE 40 6.560 -3.783 3.137
119 HG13 ILE 40 HG11 ILE 40 7.430 -2.506 2.291
120 HG21 ILE 40 HG21 ILE 40 5.530 -2.232 5.499
121 HG22 ILE 40 HG22 ILE 40 4.550 -3.268 4.463
122 HG23 ILE 40 HG23 ILE 40 4.072 -1.593 4.741
123 HD11 ILE 40 HD11 ILE 40 7.464 -3.038 5.252
124 HD12 ILE 40 HD12 ILE 40 8.288 -1.701 4.450
125 HD13 ILE 40 HD13 ILE 40 8.762 -3.365 4.105
126 H VAL 41 HN VAL 41 4.767 0.729 2.155
127 HA VAL 41 HA VAL 41 2.232 1.033 3.440
128 HB VAL 41 HB VAL 41 4.259 2.664 3.447
129 HG11 VAL 41 HG11 VAL 41 4.335 2.899 0.979
130 HG12 VAL 41 HG12 VAL 41 4.194 4.438 1.829
131 HG13 VAL 41 HG13 VAL 41 2.780 3.732 1.046
132 HG21 VAL 41 HG21 VAL 41 1.426 3.660 3.172
133 HG22 VAL 41 HG22 VAL 41 2.759 4.555 3.901
134 HG23 VAL 41 HG23 VAL 41 2.188 3.063 4.647
135 H ALA 42 HN ALA 42 3.335 0.900 0.146
136 HA ALA 42 HA ALA 42 1.240 2.176 -1.174
137 HB1 ALA 42 HB1 ALA 42 3.323 1.447 -2.261
138 HB2 ALA 42 HB2 ALA 42 1.890 0.903 -3.133
139 HB3 ALA 42 HB3 ALA 42 2.792 -0.230 -2.126
140 H GLY 43 HN GLY 43 1.469 -1.079 0.138
141 HA2 GLY 43 HA2 GLY 43 -1.031 -1.930 -1.027
142 HA3 GLY 43 HA1 GLY 43 -0.058 -2.825 0.132
143 H ALA 44 HN ALA 44 -0.005 -0.444 1.940
144 HA ALA 44 HA ALA 44 -2.436 -1.072 3.362
145 HB1 ALA 44 HB1 ALA 44 -0.271 -0.831 4.524
146 HB2 ALA 44 HB2 ALA 44 -1.510 0.252 5.160
147 HB3 ALA 44 HB3 ALA 44 -0.255 0.879 4.091
148 H THR 45 HN THR 45 -1.286 1.433 1.283
149 HA THR 45 HA THR 45 -3.202 3.408 2.143
150 HB THR 45 HB THR 45 -2.434 4.675 0.124
151 HG1 THR 45 HG1 THR 45 -0.971 2.283 -0.240
152 HG21 THR 45 HG21 THR 45 -0.136 5.072 0.963
153 HG22 THR 45 HG22 THR 45 -0.294 3.649 1.994
154 HG23 THR 45 HG23 THR 45 -1.340 5.045 2.252
155 H THR 46 HN THR 46 -3.002 0.915 -0.288
156 HA THR 46 HA THR 46 -5.202 1.856 -1.860
157 HB THR 46 HB THR 46 -3.986 -0.912 -1.748
158 HG1 THR 46 HG1 THR 46 -2.408 0.023 -2.791
159 HG21 THR 46 HG21 THR 46 -6.246 -0.870 -2.727
160 HG22 THR 46 HG22 THR 46 -5.012 -1.238 -3.935
161 HG23 THR 46 HG23 THR 46 -5.720 0.376 -3.861
162 H LEU 47 HN LEU 47 -4.801 -0.743 0.536
163 HA LEU 47 HA LEU 47 -7.455 -1.653 0.501
164 HB2 LEU 47 HB2 LEU 47 -5.333 -2.676 1.576
165 HB3 LEU 47 HB1 LEU 47 -5.736 -1.681 2.962
166 HG LEU 47 HG LEU 47 -7.739 -3.601 1.808
167 HD11 LEU 47 HD11 LEU 47 -5.665 -4.218 3.908
168 HD12 LEU 47 HD12 LEU 47 -5.697 -4.870 2.270
169 HD13 LEU 47 HD13 LEU 47 -6.986 -5.273 3.404
170 HD21 LEU 47 HD21 LEU 47 -7.342 -2.346 4.522
171 HD22 LEU 47 HD22 LEU 47 -8.556 -3.570 4.151
172 HD23 LEU 47 HD23 LEU 47 -8.625 -1.994 3.364
173 H PHE 48 HN PHE 48 -5.863 0.897 2.331
174 HA PHE 48 HA PHE 48 -8.044 1.472 4.054
175 HB2 PHE 48 HB2 PHE 48 -5.757 2.141 4.602
176 HB3 PHE 48 HB1 PHE 48 -5.715 3.205 3.201
177 HD1 PHE 48 HD1 PHE 48 -7.263 2.672 6.506
178 HD2 PHE 48 HD2 PHE 48 -6.631 5.382 3.286
179 HE1 PHE 48 HE1 PHE 48 -8.146 4.509 7.884
180 HE2 PHE 48 HE2 PHE 48 -7.514 7.223 4.658
181 HZ PHE 48 HZ PHE 48 -8.267 6.792 6.959
182 H CYS 49 HN CYS 49 -6.933 2.889 0.993
183 HA CYS 49 HA CYS 49 -8.957 4.889 0.906
184 HB2 CYS 49 HB2 CYS 49 -8.119 5.449 -1.220
185 HB3 CYS 49 HB1 CYS 49 -6.716 4.860 -0.338
186 HG CYS 49 HG CYS 49 -8.322 3.471 -2.969
187 H LEU 50 HN LEU 50 -8.825 1.557 -0.014
188 HA LEU 50 HA LEU 50 -10.965 1.595 -1.884
189 HB2 LEU 50 HB2 LEU 50 -9.101 -0.277 -0.957
190 HB3 LEU 50 HB1 LEU 50 -10.671 -0.944 -0.540
191 HG LEU 50 HG LEU 50 -11.335 -0.585 -2.952
192 HD11 LEU 50 HD11 LEU 50 -9.308 -0.502 -4.498
193 HD12 LEU 50 HD12 LEU 50 -8.419 0.101 -3.096
194 HD13 LEU 50 HD13 LEU 50 -9.798 1.005 -3.722
195 HD21 LEU 50 HD21 LEU 50 -10.693 -2.777 -2.037
196 HD22 LEU 50 HD22 LEU 50 -9.009 -2.439 -2.444
197 HD23 LEU 50 HD23 LEU 50 -10.212 -2.592 -3.724
198 H LEU 51 HN LEU 51 -10.787 1.310 1.594
199 HA LEU 51 HA LEU 51 -13.347 0.239 2.059
200 HB2 LEU 51 HB2 LEU 51 -11.636 2.038 3.775
201 HB3 LEU 51 HB1 LEU 51 -13.101 1.250 4.332
202 HG LEU 51 HG LEU 51 -10.640 -0.198 3.348
203 HD11 LEU 51 HD11 LEU 51 -10.194 0.963 5.436
204 HD12 LEU 51 HD12 LEU 51 -10.290 -0.778 5.699
205 HD13 LEU 51 HD13 LEU 51 -11.642 0.258 6.154
206 HD21 LEU 51 HD21 LEU 51 -12.708 -1.449 3.001
207 HD22 LEU 51 HD22 LEU 51 -13.142 -1.214 4.694
208 HD23 LEU 51 HD23 LEU 51 -11.729 -2.180 4.273
209 H HIS 52 HN HIS 52 -12.305 3.404 1.157
210 HA HIS 52 HA HIS 52 -14.684 4.757 2.036
211 HB2 HIS 52 HB2 HIS 52 -12.469 5.634 0.173
212 HB3 HIS 52 HB1 HIS 52 -13.767 6.677 0.746
213 HD1 HIS 52 HD1 HIS 52 -13.845 6.887 3.491
214 HD2 HIS 52 HD2 HIS 52 -10.273 5.665 1.756
215 HE1 HIS 52 HE1 HIS 52 -12.080 7.274 5.241
216 HE2 HIS 52 HE2 HIS 52 -9.930 6.497 4.180
217 H PHE 53 HN PHE 53 -13.632 3.135 -0.863
218 HA PHE 53 HA PHE 53 -15.555 4.284 -2.618
219 HB2 PHE 53 HB2 PHE 53 -13.856 1.801 -2.762
220 HB3 PHE 53 HB1 PHE 53 -15.025 2.195 -4.016
221 HD1 PHE 53 HD1 PHE 53 -11.824 3.050 -2.514
222 HD2 PHE 53 HD2 PHE 53 -14.697 4.127 -5.461
223 HE1 PHE 53 HE1 PHE 53 -10.157 4.494 -3.603
224 HE2 PHE 53 HE2 PHE 53 -13.037 5.574 -6.556
225 HZ PHE 53 HZ PHE 53 -10.763 5.761 -5.627
226 H GLY 54 HN GLY 54 -15.896 2.201 -0.036
227 HA2 GLY 54 HA2 GLY 54 -17.718 1.054 0.771
228 HA3 GLY 54 HA1 GLY 54 -18.656 1.769 -0.530
229 H VAL 55 HN VAL 55 -15.807 -0.111 -1.190
230 HA VAL 55 HA VAL 55 -16.997 -1.800 -3.033
231 HB VAL 55 HB VAL 55 -15.020 -3.298 -2.691
232 HG11 VAL 55 HG11 VAL 55 -14.433 -0.349 -2.945
233 HG12 VAL 55 HG12 VAL 55 -14.936 -1.425 -4.248
234 HG13 VAL 55 HG13 VAL 55 -13.373 -1.658 -3.466
235 HG21 VAL 55 HG21 VAL 55 -14.318 -1.282 -0.557
236 HG22 VAL 55 HG22 VAL 55 -13.251 -2.548 -1.165
237 HG23 VAL 55 HG23 VAL 55 -14.724 -2.979 -0.298
238 H ILE 56 HN ILE 56 -16.812 -2.081 0.439
239 HA ILE 56 HA ILE 56 -17.745 -4.828 0.428
240 HB ILE 56 HB ILE 56 -17.388 -2.987 2.792
241 HG12 ILE 56 HG12 ILE 56 -15.267 -3.189 1.620
242 HG13 ILE 56 HG11 ILE 56 -15.209 -4.133 3.105
243 HG21 ILE 56 HG21 ILE 56 -17.583 -5.989 2.595
244 HG22 ILE 56 HG22 ILE 56 -18.803 -4.899 3.256
245 HG23 ILE 56 HG23 ILE 56 -17.249 -5.081 4.070
246 HD11 ILE 56 HD11 ILE 56 -14.158 -5.343 1.309
247 HD12 ILE 56 HD12 ILE 56 -15.612 -5.200 0.320
248 HD13 ILE 56 HD13 ILE 56 -15.639 -6.169 1.794
249 H GLY 57 HN GLY 57 -19.820 -5.238 0.088
250 HA2 GLY 57 HA2 GLY 57 -21.825 -3.241 0.870
251 HA3 GLY 57 HA1 GLY 57 -22.077 -4.562 -0.262
252 HA PRO 58 HA PRO 58 -24.104 -5.732 3.756
253 HB2 PRO 58 HB2 PRO 58 -26.132 -7.109 2.520
254 HB3 PRO 58 HB1 PRO 58 -26.207 -5.395 2.940
255 HG2 PRO 58 HG2 PRO 58 -25.581 -6.677 0.313
256 HG3 PRO 58 HG1 PRO 58 -26.570 -5.245 0.655
257 HD2 PRO 58 HD2 PRO 58 -24.053 -5.046 -0.273
258 HD3 PRO 58 HD1 PRO 58 -24.726 -3.868 0.873
259 H GLN 59 HN GLN 59 -24.146 -7.870 0.889
260 HA GLN 59 HA GLN 59 -23.637 -10.077 0.640
261 HB2 GLN 59 HB2 GLN 59 -21.495 -9.351 2.648
262 HB3 GLN 59 HB1 GLN 59 -21.502 -10.800 1.652
263 HG2 GLN 59 HG2 GLN 59 -21.434 -9.369 -0.361
264 HG3 GLN 59 HG1 GLN 59 -21.310 -7.957 0.688
265 HE21 GLN 59 HE21 GLN 59 -19.306 -7.376 -0.122
266 HE22 GLN 59 HE22 GLN 59 -17.867 -8.260 0.241
267 H ARG 60 HN ARG 60 -25.752 -9.723 2.340
268 HA ARG 60 HA ARG 60 -27.012 -10.750 3.927
269 HB2 ARG 60 HB2 ARG 60 -26.449 -12.724 2.562
270 HB3 ARG 60 HB1 ARG 60 -25.015 -12.987 3.543
271 HG2 ARG 60 HG2 ARG 60 -26.370 -13.435 5.484
272 HG3 ARG 60 HG1 ARG 60 -27.838 -13.046 4.586
273 HD2 ARG 60 HD2 ARG 60 -25.940 -15.315 3.995
274 HD3 ARG 60 HD1 ARG 60 -27.523 -15.460 4.757
275 HE ARG 60 HE ARG 60 -27.491 -14.231 2.130
276 HH11 ARG 60 HH11 ARG 60 -27.914 -17.142 3.998
277 HH12 ARG 60 HH12 ARG 60 -28.808 -17.959 2.759
278 HH21 ARG 60 HH21 ARG 60 -28.663 -15.298 0.496
279 HH22 ARG 60 HH22 ARG 60 -29.233 -16.911 0.767
Start of MODEL 4
1 H1 ARG 28 HT1 ARG 28 26.551 -0.729 1.408
2 H2 ARG 28 HT2 ARG 28 25.864 -1.725 2.588
3 H3 ARG 28 HT3 ARG 28 27.274 -0.856 2.932
4 HA ARG 28 HA ARG 28 25.335 0.156 3.959
5 HB2 ARG 28 HB2 ARG 28 27.216 1.582 3.337
6 HB3 ARG 28 HB1 ARG 28 26.582 1.743 1.704
7 HG2 ARG 28 HG2 ARG 28 24.776 2.565 3.889
8 HG3 ARG 28 HG1 ARG 28 26.202 3.568 3.625
9 HD2 ARG 28 HD2 ARG 28 24.293 2.774 1.434
10 HD3 ARG 28 HD1 ARG 28 24.141 4.268 2.356
11 HE ARG 28 HE ARG 28 26.709 3.839 1.089
12 HH11 ARG 28 HH11 ARG 28 23.535 5.261 0.857
13 HH12 ARG 28 HH12 ARG 28 24.001 6.420 -0.342
14 HH21 ARG 28 HH21 ARG 28 27.332 5.364 -0.487
15 HH22 ARG 28 HH22 ARG 28 26.160 6.480 -1.106
16 H ARG 29 HN ARG 29 23.195 0.037 3.836
17 HA ARG 29 HA ARG 29 21.770 -0.408 1.449
18 HB2 ARG 29 HB2 ARG 29 20.874 0.537 4.174
19 HB3 ARG 29 HB1 ARG 29 19.753 0.204 2.862
20 HG2 ARG 29 HG2 ARG 29 21.695 -1.823 3.943
21 HG3 ARG 29 HG1 ARG 29 20.036 -1.645 4.520
22 HD2 ARG 29 HD2 ARG 29 20.827 -2.220 1.665
23 HD3 ARG 29 HD1 ARG 29 20.281 -3.428 2.827
24 HE ARG 29 HE ARG 29 18.291 -1.563 2.805
25 HH11 ARG 29 HH11 ARG 29 19.867 -3.490 0.364
26 HH12 ARG 29 HH12 ARG 29 18.464 -3.585 -0.648
27 HH21 ARG 29 HH21 ARG 29 16.443 -1.683 1.478
28 HH22 ARG 29 HH22 ARG 29 16.519 -2.556 -0.016
29 H CYS 30 HN CYS 30 21.353 0.968 -0.133
30 HA CYS 30 HA CYS 30 21.592 3.831 0.369
31 HB2 CYS 30 HB2 CYS 30 21.497 2.223 -2.187
32 HB3 CYS 30 HB1 CYS 30 21.556 3.982 -2.147
33 HG CYS 30 HG CYS 30 23.975 2.211 -0.546
34 H LEU 31 HN LEU 31 19.982 4.377 -2.089
35 HA LEU 31 HA LEU 31 17.614 5.165 -0.953
36 HB2 LEU 31 HB2 LEU 31 18.344 4.522 -3.790
37 HB3 LEU 31 HB1 LEU 31 16.729 5.062 -3.376
38 HG LEU 31 HG LEU 31 18.117 6.908 -4.184
39 HD11 LEU 31 HD11 LEU 31 16.348 7.382 -2.581
40 HD12 LEU 31 HD12 LEU 31 17.716 8.472 -2.355
41 HD13 LEU 31 HD13 LEU 31 17.472 7.122 -1.247
42 HD21 LEU 31 HD21 LEU 31 19.851 6.352 -1.775
43 HD22 LEU 31 HD22 LEU 31 20.016 7.714 -2.884
44 HD23 LEU 31 HD23 LEU 31 20.299 6.072 -3.457
45 H PHE 32 HN PHE 32 18.497 1.987 -1.977
46 HA PHE 32 HA PHE 32 15.996 0.841 -2.452
47 HB2 PHE 32 HB2 PHE 32 18.526 -0.336 -1.296
48 HB3 PHE 32 HB1 PHE 32 17.103 -1.304 -1.664
49 HD1 PHE 32 HD1 PHE 32 16.625 -1.984 -3.872
50 HD2 PHE 32 HD2 PHE 32 19.710 0.853 -3.134
51 HE1 PHE 32 HE1 PHE 32 17.386 -2.212 -6.202
52 HE2 PHE 32 HE2 PHE 32 20.477 0.630 -5.462
53 HZ PHE 32 HZ PHE 32 19.308 -0.918 -7.000
54 H LEU 33 HN LEU 33 17.349 2.059 0.408
55 HA LEU 33 HA LEU 33 16.255 0.537 2.436
56 HB2 LEU 33 HB2 LEU 33 17.804 2.650 2.455
57 HB3 LEU 33 HB1 LEU 33 16.293 3.527 2.611
58 HG LEU 33 HG LEU 33 15.814 2.064 4.642
59 HD11 LEU 33 HD11 LEU 33 17.413 0.308 4.244
60 HD12 LEU 33 HD12 LEU 33 17.826 1.139 5.745
61 HD13 LEU 33 HD13 LEU 33 18.744 1.466 4.274
62 HD21 LEU 33 HD21 LEU 33 18.173 3.941 4.744
63 HD22 LEU 33 HD22 LEU 33 17.160 3.468 6.107
64 HD23 LEU 33 HD23 LEU 33 16.476 4.417 4.787
65 H SER 34 HN SER 34 14.800 3.204 0.610
66 HA SER 34 HA SER 34 12.262 2.848 1.994
67 HB2 SER 34 HB2 SER 34 13.034 5.136 1.579
68 HB3 SER 34 HB1 SER 34 13.081 4.819 -0.155
69 HG SER 34 HG SER 34 10.841 4.551 -0.120
70 H LEU 35 HN LEU 35 13.826 1.874 -0.889
71 HA LEU 35 HA LEU 35 11.509 1.467 -2.499
72 HB2 LEU 35 HB2 LEU 35 13.857 1.701 -3.358
73 HB3 LEU 35 HB1 LEU 35 14.200 0.111 -2.709
74 HG LEU 35 HG LEU 35 13.686 0.357 -5.226
75 HD11 LEU 35 HD11 LEU 35 13.801 -1.719 -3.686
76 HD12 LEU 35 HD12 LEU 35 13.100 -1.865 -5.299
77 HD13 LEU 35 HD13 LEU 35 12.048 -1.746 -3.887
78 HD21 LEU 35 HD21 LEU 35 10.868 0.289 -4.148
79 HD22 LEU 35 HD22 LEU 35 11.352 0.186 -5.840
80 HD23 LEU 35 HD23 LEU 35 11.621 1.676 -4.936
81 H PHE 36 HN PHE 36 13.176 -0.364 -0.065
82 HA PHE 36 HA PHE 36 11.805 -2.839 -0.675
83 HB2 PHE 36 HB2 PHE 36 14.156 -2.709 0.249
84 HB3 PHE 36 HB1 PHE 36 13.452 -2.183 1.774
85 HD1 PHE 36 HD1 PHE 36 13.614 -4.982 -0.632
86 HD2 PHE 36 HD2 PHE 36 12.516 -3.729 3.285
87 HE1 PHE 36 HE1 PHE 36 13.292 -7.332 0.027
88 HE2 PHE 36 HE2 PHE 36 12.194 -6.076 3.950
89 HZ PHE 36 HZ PHE 36 12.602 -7.884 2.319
90 H SER 37 HN SER 37 11.142 -0.012 1.049
91 HA SER 37 HA SER 37 9.176 -1.364 2.764
92 HB2 SER 37 HB2 SER 37 10.742 0.116 3.947
93 HB3 SER 37 HB1 SER 37 10.255 1.464 2.918
94 HG SER 37 HG SER 37 8.460 0.017 4.570
95 H PHE 38 HN PHE 38 9.349 -0.040 -0.190
96 HA PHE 38 HA PHE 38 6.945 1.565 -0.142
97 HB2 PHE 38 HB2 PHE 38 8.811 2.126 -1.657
98 HB3 PHE 38 HB1 PHE 38 8.601 0.585 -2.481
99 HD1 PHE 38 HD1 PHE 38 6.832 0.248 -4.053
100 HD2 PHE 38 HD2 PHE 38 7.155 3.910 -1.908
101 HE1 PHE 38 HE1 PHE 38 5.211 1.284 -5.585
102 HE2 PHE 38 HE2 PHE 38 5.532 4.952 -3.436
103 HZ PHE 38 HZ PHE 38 4.557 3.638 -5.277
104 H LEU 39 HN LEU 39 7.951 -1.603 -1.354
105 HA LEU 39 HA LEU 39 5.488 -2.306 -2.538
106 HB2 LEU 39 HB2 LEU 39 7.900 -3.811 -1.618
107 HB3 LEU 39 HB1 LEU 39 6.464 -4.706 -2.077
108 HG LEU 39 HG LEU 39 7.910 -4.658 -3.959
109 HD11 LEU 39 HD11 LEU 39 5.545 -4.296 -4.476
110 HD12 LEU 39 HD12 LEU 39 6.598 -3.490 -5.637
111 HD13 LEU 39 HD13 LEU 39 5.793 -2.553 -4.379
112 HD21 LEU 39 HD21 LEU 39 9.107 -2.597 -2.974
113 HD22 LEU 39 HD22 LEU 39 7.984 -1.674 -3.976
114 HD23 LEU 39 HD23 LEU 39 9.089 -2.829 -4.724
115 H ILE 40 HN ILE 40 6.497 -2.126 0.717
116 HA ILE 40 HA ILE 40 4.548 -4.018 1.719
117 HB ILE 40 HB ILE 40 6.522 -2.180 3.066
118 HG12 ILE 40 HG12 ILE 40 7.546 -4.239 3.831
119 HG13 ILE 40 HG11 ILE 40 6.239 -5.191 3.138
120 HG21 ILE 40 HG21 ILE 40 4.523 -2.192 4.445
121 HG22 ILE 40 HG22 ILE 40 5.806 -3.126 5.216
122 HG23 ILE 40 HG23 ILE 40 4.482 -3.955 4.397
123 HD11 ILE 40 HD11 ILE 40 8.326 -5.252 1.826
124 HD12 ILE 40 HD12 ILE 40 8.172 -3.517 1.553
125 HD13 ILE 40 HD13 ILE 40 6.954 -4.622 0.914
126 H VAL 41 HN VAL 41 5.077 -0.499 1.894
127 HA VAL 41 HA VAL 41 2.643 0.027 3.263
128 HB VAL 41 HB VAL 41 4.757 1.513 3.088
129 HG11 VAL 41 HG11 VAL 41 4.735 1.618 0.609
130 HG12 VAL 41 HG12 VAL 41 4.743 3.204 1.380
131 HG13 VAL 41 HG13 VAL 41 3.247 2.564 0.699
132 HG21 VAL 41 HG21 VAL 41 1.999 2.714 2.876
133 HG22 VAL 41 HG22 VAL 41 3.427 3.527 3.515
134 HG23 VAL 41 HG23 VAL 41 2.767 2.120 4.348
135 H ALA 42 HN ALA 42 3.434 -0.486 -0.051
136 HA ALA 42 HA ALA 42 1.425 0.963 -1.340
137 HB1 ALA 42 HB1 ALA 42 3.292 -0.107 -2.514
138 HB2 ALA 42 HB2 ALA 42 1.736 -0.555 -3.213
139 HB3 ALA 42 HB3 ALA 42 2.594 -1.690 -2.171
140 H GLY 43 HN GLY 43 1.315 -2.148 0.290
141 HA2 GLY 43 HA2 GLY 43 -1.330 -2.786 -0.670
142 HA3 GLY 43 HA1 GLY 43 -0.420 -3.666 0.549
143 H ALA 44 HN ALA 44 -0.012 -1.027 1.994
144 HA ALA 44 HA ALA 44 -2.403 -1.228 3.609
145 HB1 ALA 44 HB1 ALA 44 0.018 0.534 3.968
146 HB2 ALA 44 HB2 ALA 44 -0.185 -1.079 4.652
147 HB3 ALA 44 HB3 ALA 44 -1.246 0.234 5.162
148 H THR 45 HN THR 45 -1.073 0.919 1.229
149 HA THR 45 HA THR 45 -2.694 3.184 1.887
150 HB THR 45 HB THR 45 -1.979 4.047 -0.346
151 HG1 THR 45 HG1 THR 45 -1.424 2.516 -1.705
152 HG21 THR 45 HG21 THR 45 0.258 2.964 1.370
153 HG22 THR 45 HG22 THR 45 -0.645 4.448 1.681
154 HG23 THR 45 HG23 THR 45 0.368 4.316 0.243
155 H THR 46 HN THR 46 -2.840 0.675 -0.626
156 HA THR 46 HA THR 46 -5.121 1.618 -1.951
157 HB THR 46 HB THR 46 -4.209 -1.253 -1.667
158 HG1 THR 46 HG1 THR 46 -2.975 -0.846 -3.470
159 HG21 THR 46 HG21 THR 46 -6.492 -1.084 -2.510
160 HG22 THR 46 HG22 THR 46 -5.394 -1.594 -3.793
161 HG23 THR 46 HG23 THR 46 -5.968 0.072 -3.734
162 H LEU 47 HN LEU 47 -4.774 -0.603 0.777
163 HA LEU 47 HA LEU 47 -7.425 -1.437 1.001
164 HB2 LEU 47 HB2 LEU 47 -5.307 -2.234 2.236
165 HB3 LEU 47 HB1 LEU 47 -5.645 -0.944 3.373
166 HG LEU 47 HG LEU 47 -7.737 -3.002 2.744
167 HD11 LEU 47 HD11 LEU 47 -6.942 -4.322 4.635
168 HD12 LEU 47 HD12 LEU 47 -5.555 -3.245 4.811
169 HD13 LEU 47 HD13 LEU 47 -5.724 -4.237 3.362
170 HD21 LEU 47 HD21 LEU 47 -7.154 -1.238 5.121
171 HD22 LEU 47 HD22 LEU 47 -8.435 -2.449 5.056
172 HD23 LEU 47 HD23 LEU 47 -8.479 -1.061 3.968
173 H PHE 48 HN PHE 48 -5.807 1.420 2.305
174 HA PHE 48 HA PHE 48 -8.021 2.327 3.842
175 HB2 PHE 48 HB2 PHE 48 -5.703 3.025 4.305
176 HB3 PHE 48 HB1 PHE 48 -5.658 3.881 2.768
177 HD1 PHE 48 HD1 PHE 48 -6.713 6.010 2.503
178 HD2 PHE 48 HD2 PHE 48 -7.077 3.853 6.154
179 HE1 PHE 48 HE1 PHE 48 -7.600 8.025 3.601
180 HE2 PHE 48 HE2 PHE 48 -7.966 5.865 7.259
181 HZ PHE 48 HZ PHE 48 -8.219 7.956 5.984
182 H CYS 49 HN CYS 49 -6.631 3.555 0.795
183 HA CYS 49 HA CYS 49 -8.574 5.446 0.223
184 HB2 CYS 49 HB2 CYS 49 -6.453 5.283 -0.989
185 HB3 CYS 49 HB1 CYS 49 -6.980 3.775 -1.730
186 HG CYS 49 HG CYS 49 -7.919 4.923 -3.812
187 H LEU 50 HN LEU 50 -8.717 1.987 -0.118
188 HA LEU 50 HA LEU 50 -10.914 1.938 -1.945
189 HB2 LEU 50 HB2 LEU 50 -9.132 0.080 -1.044
190 HB3 LEU 50 HB1 LEU 50 -10.580 -0.379 -0.167
191 HG LEU 50 HG LEU 50 -11.761 -0.379 -2.431
192 HD11 LEU 50 HD11 LEU 50 -8.890 -0.171 -3.289
193 HD12 LEU 50 HD12 LEU 50 -10.255 0.832 -3.781
194 HD13 LEU 50 HD13 LEU 50 -10.150 -0.841 -4.327
195 HD21 LEU 50 HD21 LEU 50 -10.948 -2.626 -2.969
196 HD22 LEU 50 HD22 LEU 50 -11.186 -2.422 -1.232
197 HD23 LEU 50 HD23 LEU 50 -9.558 -2.376 -1.912
198 H LEU 51 HN LEU 51 -10.628 1.477 1.568
199 HA LEU 51 HA LEU 51 -13.347 1.023 2.077
200 HB2 LEU 51 HB2 LEU 51 -11.199 2.196 3.839
201 HB3 LEU 51 HB1 LEU 51 -12.791 1.737 4.411
202 HG LEU 51 HG LEU 51 -10.798 -0.166 3.174
203 HD11 LEU 51 HD11 LEU 51 -10.002 0.648 5.322
204 HD12 LEU 51 HD12 LEU 51 -10.522 -1.032 5.448
205 HD13 LEU 51 HD13 LEU 51 -11.554 0.259 6.062
206 HD21 LEU 51 HD21 LEU 51 -12.313 -1.897 4.032
207 HD22 LEU 51 HD22 LEU 51 -13.096 -0.867 2.834
208 HD23 LEU 51 HD23 LEU 51 -13.439 -0.642 4.549
209 H HIS 52 HN HIS 52 -11.616 3.932 1.397
210 HA HIS 52 HA HIS 52 -13.311 5.820 2.598
211 HB2 HIS 52 HB2 HIS 52 -11.072 6.354 1.697
212 HB3 HIS 52 HB1 HIS 52 -11.684 6.117 0.064
213 HD1 HIS 52 HD1 HIS 52 -11.625 8.558 2.862
214 HD2 HIS 52 HD2 HIS 52 -13.391 8.171 -0.880
215 HE1 HIS 52 HE1 HIS 52 -12.521 10.840 2.303
216 HE2 HIS 52 HE2 HIS 52 -13.515 10.601 -0.001
217 H PHE 53 HN PHE 53 -13.539 4.074 -0.436
218 HA PHE 53 HA PHE 53 -15.788 5.658 -1.347
219 HB2 PHE 53 HB2 PHE 53 -14.537 3.158 -2.504
220 HB3 PHE 53 HB1 PHE 53 -15.803 4.106 -3.276
221 HD1 PHE 53 HD1 PHE 53 -15.215 6.675 -3.547
222 HD2 PHE 53 HD2 PHE 53 -12.363 3.543 -3.120
223 HE1 PHE 53 HE1 PHE 53 -13.509 8.087 -4.618
224 HE2 PHE 53 HE2 PHE 53 -10.652 4.952 -4.188
225 HZ PHE 53 HZ PHE 53 -11.224 7.228 -4.939
226 H GLY 54 HN GLY 54 -15.361 3.123 0.781
227 HA2 GLY 54 HA2 GLY 54 -16.860 1.784 1.897
228 HA3 GLY 54 HA1 GLY 54 -18.141 2.731 1.155
229 H VAL 55 HN VAL 55 -15.815 1.159 -0.865
230 HA VAL 55 HA VAL 55 -17.696 -0.203 -2.398
231 HB VAL 55 HB VAL 55 -15.755 -1.554 -3.237
232 HG11 VAL 55 HG11 VAL 55 -14.596 0.361 -4.249
233 HG12 VAL 55 HG12 VAL 55 -15.374 1.435 -3.086
234 HG13 VAL 55 HG13 VAL 55 -16.348 0.564 -4.270
235 HG21 VAL 55 HG21 VAL 55 -13.519 -1.009 -2.462
236 HG22 VAL 55 HG22 VAL 55 -14.494 -1.615 -1.123
237 HG23 VAL 55 HG23 VAL 55 -14.182 0.114 -1.274
238 H ILE 56 HN ILE 56 -15.976 -1.205 0.489
239 HA ILE 56 HA ILE 56 -17.462 -3.752 0.419
240 HB ILE 56 HB ILE 56 -14.772 -3.264 1.704
241 HG12 ILE 56 HG12 ILE 56 -14.617 -3.313 -0.743
242 HG13 ILE 56 HG11 ILE 56 -13.883 -4.749 -0.041
243 HG21 ILE 56 HG21 ILE 56 -16.069 -4.891 2.934
244 HG22 ILE 56 HG22 ILE 56 -14.770 -5.704 2.060
245 HG23 ILE 56 HG23 ILE 56 -16.423 -5.773 1.448
246 HD11 ILE 56 HD11 ILE 56 -16.636 -4.623 -1.250
247 HD12 ILE 56 HD12 ILE 56 -15.831 -6.060 -0.621
248 HD13 ILE 56 HD13 ILE 56 -15.191 -5.245 -2.047
249 H GLY 57 HN GLY 57 -18.910 -3.986 1.981
250 HA2 GLY 57 HA2 GLY 57 -18.451 -2.618 4.553
251 HA3 GLY 57 HA1 GLY 57 -20.002 -2.482 3.740
252 HA PRO 58 HA PRO 58 -21.179 -6.194 5.845
253 HB2 PRO 58 HB2 PRO 58 -23.260 -7.020 4.387
254 HB3 PRO 58 HB1 PRO 58 -23.319 -5.495 5.280
255 HG2 PRO 58 HG2 PRO 58 -22.827 -5.966 2.367
256 HG3 PRO 58 HG1 PRO 58 -23.817 -4.720 3.147
257 HD2 PRO 58 HD2 PRO 58 -21.250 -4.320 2.220
258 HD3 PRO 58 HD1 PRO 58 -22.024 -3.346 3.487
259 H GLN 59 HN GLN 59 -19.195 -6.353 3.447
260 HA GLN 59 HA GLN 59 -18.038 -7.967 2.347
261 HB2 GLN 59 HB2 GLN 59 -19.497 -9.839 4.222
262 HB3 GLN 59 HB1 GLN 59 -18.092 -10.255 3.250
263 HG2 GLN 59 HG2 GLN 59 -16.761 -8.611 4.472
264 HG3 GLN 59 HG1 GLN 59 -18.169 -8.205 5.453
265 HE21 GLN 59 HE21 GLN 59 -17.164 -8.802 7.359
266 HE22 GLN 59 HE22 GLN 59 -16.862 -10.451 7.773
267 H ARG 60 HN ARG 60 -18.387 -10.185 1.137
268 HA ARG 60 HA ARG 60 -19.357 -11.186 -0.659
269 HB2 ARG 60 HB2 ARG 60 -21.852 -10.642 0.960
270 HB3 ARG 60 HB1 ARG 60 -21.790 -11.691 -0.451
271 HG2 ARG 60 HG2 ARG 60 -20.132 -13.103 0.727
272 HG3 ARG 60 HG1 ARG 60 -20.338 -12.089 2.157
273 HD2 ARG 60 HD2 ARG 60 -21.691 -14.121 2.297
274 HD3 ARG 60 HD1 ARG 60 -22.700 -12.676 2.252
275 HE ARG 60 HE ARG 60 -22.232 -13.985 -0.296
276 HH11 ARG 60 HH11 ARG 60 -24.330 -13.572 2.455
277 HH12 ARG 60 HH12 ARG 60 -25.732 -14.177 1.637
278 HH21 ARG 60 HH21 ARG 60 -24.073 -14.778 -1.380
279 HH22 ARG 60 HH22 ARG 60 -25.589 -14.859 -0.543
Start of MODEL 5
1 H1 ARG 28 HT1 ARG 28 25.292 -5.217 -3.308
2 H2 ARG 28 HT2 ARG 28 26.568 -5.103 -2.203
3 H3 ARG 28 HT3 ARG 28 26.162 -3.772 -3.167
4 HA ARG 28 HA ARG 28 24.435 -4.981 -1.085
5 HB2 ARG 28 HB2 ARG 28 24.904 -3.040 0.251
6 HB3 ARG 28 HB1 ARG 28 26.439 -3.751 -0.227
7 HG2 ARG 28 HG2 ARG 28 27.020 -1.689 -0.833
8 HG3 ARG 28 HG1 ARG 28 25.961 -1.927 -2.226
9 HD2 ARG 28 HD2 ARG 28 25.333 0.138 -1.218
10 HD3 ARG 28 HD1 ARG 28 24.080 -1.037 -0.822
11 HE ARG 28 HE ARG 28 26.122 -0.835 1.182
12 HH11 ARG 28 HH11 ARG 28 23.133 0.527 0.016
13 HH12 ARG 28 HH12 ARG 28 22.687 1.189 1.555
14 HH21 ARG 28 HH21 ARG 28 25.542 0.030 3.208
15 HH22 ARG 28 HH22 ARG 28 24.057 0.909 3.367
16 H ARG 29 HN ARG 29 22.364 -4.211 -0.986
17 HA ARG 29 HA ARG 29 21.330 -2.911 -3.301
18 HB2 ARG 29 HB2 ARG 29 20.165 -4.567 -1.631
19 HB3 ARG 29 HB1 ARG 29 19.785 -3.098 -0.741
20 HG2 ARG 29 HG2 ARG 29 18.545 -2.214 -2.564
21 HG3 ARG 29 HG1 ARG 29 19.098 -3.500 -3.639
22 HD2 ARG 29 HD2 ARG 29 17.926 -5.144 -2.216
23 HD3 ARG 29 HD1 ARG 29 17.316 -3.818 -1.227
24 HE ARG 29 HE ARG 29 16.319 -3.035 -3.467
25 HH11 ARG 29 HH11 ARG 29 16.710 -6.360 -2.494
26 HH12 ARG 29 HH12 ARG 29 15.368 -6.924 -3.432
27 HH21 ARG 29 HH21 ARG 29 14.554 -3.773 -4.704
28 HH22 ARG 29 HH22 ARG 29 14.144 -5.455 -4.688
29 H CYS 30 HN CYS 30 21.372 -0.827 -3.714
30 HA CYS 30 HA CYS 30 22.195 1.065 -1.726
31 HB2 CYS 30 HB2 CYS 30 22.738 0.994 -4.271
32 HB3 CYS 30 HB1 CYS 30 21.194 1.821 -4.453
33 HG CYS 30 HG CYS 30 22.179 4.158 -4.109
34 H LEU 31 HN LEU 31 20.567 3.242 -2.980
35 HA LEU 31 HA LEU 31 18.689 3.667 -1.060
36 HB2 LEU 31 HB2 LEU 31 18.848 4.562 -3.912
37 HB3 LEU 31 HB1 LEU 31 17.475 5.021 -2.924
38 HG LEU 31 HG LEU 31 19.198 6.774 -3.001
39 HD11 LEU 31 HD11 LEU 31 18.928 5.517 -0.275
40 HD12 LEU 31 HD12 LEU 31 17.732 6.558 -1.046
41 HD13 LEU 31 HD13 LEU 31 19.317 7.202 -0.621
42 HD21 LEU 31 HD21 LEU 31 21.176 5.389 -3.250
43 HD22 LEU 31 HD22 LEU 31 20.941 4.727 -1.633
44 HD23 LEU 31 HD23 LEU 31 21.335 6.433 -1.837
45 H PHE 32 HN PHE 32 18.395 1.502 -3.762
46 HA PHE 32 HA PHE 32 15.641 1.269 -4.027
47 HB2 PHE 32 HB2 PHE 32 17.746 -0.900 -4.214
48 HB3 PHE 32 HB1 PHE 32 16.088 -1.063 -4.782
49 HD1 PHE 32 HD1 PHE 32 15.371 -0.061 -6.826
50 HD2 PHE 32 HD2 PHE 32 19.310 0.606 -5.358
51 HE1 PHE 32 HE1 PHE 32 16.021 0.876 -9.006
52 HE2 PHE 32 HE2 PHE 32 19.966 1.545 -7.535
53 HZ PHE 32 HZ PHE 32 18.321 1.681 -9.362
54 H LEU 33 HN LEU 33 17.632 0.451 -1.399
55 HA LEU 33 HA LEU 33 16.304 -1.673 -0.193
56 HB2 LEU 33 HB2 LEU 33 18.517 -0.386 0.401
57 HB3 LEU 33 HB1 LEU 33 17.457 0.555 1.435
58 HG LEU 33 HG LEU 33 16.727 -1.698 2.433
59 HD11 LEU 33 HD11 LEU 33 19.267 -2.524 1.036
60 HD12 LEU 33 HD12 LEU 33 17.646 -3.152 0.740
61 HD13 LEU 33 HD13 LEU 33 18.443 -3.463 2.282
62 HD21 LEU 33 HD21 LEU 33 19.536 -0.682 2.849
63 HD22 LEU 33 HD22 LEU 33 18.639 -1.710 3.966
64 HD23 LEU 33 HD23 LEU 33 18.080 -0.071 3.633
65 H SER 34 HN SER 34 15.915 1.813 0.465
66 HA SER 34 HA SER 34 13.694 1.483 2.188
67 HB2 SER 34 HB2 SER 34 15.102 3.487 2.258
68 HB3 SER 34 HB1 SER 34 14.583 3.923 0.630
69 HG SER 34 HG SER 34 12.945 3.735 2.940
70 H LEU 35 HN LEU 35 14.015 1.720 -1.259
71 HA LEU 35 HA LEU 35 11.391 2.521 -1.901
72 HB2 LEU 35 HB2 LEU 35 13.329 2.532 -3.467
73 HB3 LEU 35 HB1 LEU 35 13.257 0.783 -3.520
74 HG LEU 35 HG LEU 35 12.218 2.138 -5.455
75 HD11 LEU 35 HD11 LEU 35 10.381 0.093 -4.286
76 HD12 LEU 35 HD12 LEU 35 12.007 -0.346 -4.807
77 HD13 LEU 35 HD13 LEU 35 10.864 0.338 -5.966
78 HD21 LEU 35 HD21 LEU 35 9.904 2.770 -5.173
79 HD22 LEU 35 HD22 LEU 35 10.899 3.652 -4.014
80 HD23 LEU 35 HD23 LEU 35 9.938 2.271 -3.483
81 H PHE 36 HN PHE 36 12.824 -0.631 -1.267
82 HA PHE 36 HA PHE 36 10.603 -2.178 -2.099
83 HB2 PHE 36 HB2 PHE 36 12.864 -3.118 -1.845
84 HB3 PHE 36 HB1 PHE 36 12.777 -2.861 -0.107
85 HD1 PHE 36 HD1 PHE 36 11.328 -4.765 -2.920
86 HD2 PHE 36 HD2 PHE 36 11.701 -4.412 1.304
87 HE1 PHE 36 HE1 PHE 36 10.320 -6.994 -2.649
88 HE2 PHE 36 HE2 PHE 36 10.694 -6.639 1.584
89 HZ PHE 36 HZ PHE 36 9.996 -7.931 -0.394
90 H SER 37 HN SER 37 11.232 -0.320 0.725
91 HA SER 37 HA SER 37 9.369 -1.727 2.416
92 HB2 SER 37 HB2 SER 37 11.301 -0.587 3.404
93 HB3 SER 37 HB1 SER 37 10.720 0.957 2.784
94 HG SER 37 HG SER 37 9.578 -0.679 4.786
95 H PHE 38 HN PHE 38 9.114 0.556 -0.056
96 HA PHE 38 HA PHE 38 6.779 1.913 0.958
97 HB2 PHE 38 HB2 PHE 38 8.276 3.130 -0.507
98 HB3 PHE 38 HB1 PHE 38 8.092 1.916 -1.767
99 HD1 PHE 38 HD1 PHE 38 6.549 2.254 -3.442
100 HD2 PHE 38 HD2 PHE 38 6.082 4.322 0.247
101 HE1 PHE 38 HE1 PHE 38 4.669 3.522 -4.397
102 HE2 PHE 38 HE2 PHE 38 4.200 5.595 -0.700
103 HZ PHE 38 HZ PHE 38 3.492 5.194 -3.025
104 H LEU 39 HN LEU 39 7.482 -0.735 -1.246
105 HA LEU 39 HA LEU 39 4.879 -0.996 -2.321
106 HB2 LEU 39 HB2 LEU 39 7.196 -2.894 -2.070
107 HB3 LEU 39 HB1 LEU 39 5.673 -3.393 -2.783
108 HG LEU 39 HG LEU 39 6.012 -1.378 -4.368
109 HD11 LEU 39 HD11 LEU 39 8.556 -1.086 -4.707
110 HD12 LEU 39 HD12 LEU 39 8.667 -1.640 -3.033
111 HD13 LEU 39 HD13 LEU 39 7.751 -0.184 -3.422
112 HD21 LEU 39 HD21 LEU 39 7.384 -2.745 -5.871
113 HD22 LEU 39 HD22 LEU 39 6.133 -3.705 -5.081
114 HD23 LEU 39 HD23 LEU 39 7.802 -3.802 -4.522
115 H ILE 40 HN ILE 40 6.148 -1.689 0.748
116 HA ILE 40 HA ILE 40 4.286 -3.805 1.393
117 HB ILE 40 HB ILE 40 6.094 -2.224 3.227
118 HG12 ILE 40 HG12 ILE 40 6.511 -4.987 2.070
119 HG13 ILE 40 HG11 ILE 40 7.257 -3.531 1.418
120 HG21 ILE 40 HG21 ILE 40 4.651 -4.836 3.665
121 HG22 ILE 40 HG22 ILE 40 4.213 -3.283 4.379
122 HG23 ILE 40 HG23 ILE 40 5.744 -4.050 4.805
123 HD11 ILE 40 HD11 ILE 40 7.668 -4.643 4.184
124 HD12 ILE 40 HD12 ILE 40 8.413 -3.181 3.540
125 HD13 ILE 40 HD13 ILE 40 8.799 -4.750 2.836
126 H VAL 41 HN VAL 41 4.771 -0.422 2.403
127 HA VAL 41 HA VAL 41 2.424 -0.315 3.991
128 HB VAL 41 HB VAL 41 4.480 1.244 4.060
129 HG11 VAL 41 HG11 VAL 41 4.337 1.895 1.672
130 HG12 VAL 41 HG12 VAL 41 4.356 3.270 2.776
131 HG13 VAL 41 HG13 VAL 41 2.840 2.757 2.034
132 HG21 VAL 41 HG21 VAL 41 1.700 2.401 4.236
133 HG22 VAL 41 HG22 VAL 41 3.145 3.062 4.999
134 HG23 VAL 41 HG23 VAL 41 2.526 1.489 5.500
135 H ALA 42 HN ALA 42 3.010 -0.028 0.618
136 HA ALA 42 HA ALA 42 0.960 1.618 -0.251
137 HB1 ALA 42 HB1 ALA 42 2.703 0.739 -1.721
138 HB2 ALA 42 HB2 ALA 42 1.095 0.427 -2.375
139 HB3 ALA 42 HB3 ALA 42 1.998 -0.873 -1.598
140 H GLY 43 HN GLY 43 0.858 -1.770 0.714
141 HA2 GLY 43 HA2 GLY 43 -1.842 -2.191 -0.138
142 HA3 GLY 43 HA1 GLY 43 -0.903 -3.249 0.903
143 H ALA 44 HN ALA 44 -0.328 -1.134 2.844
144 HA ALA 44 HA ALA 44 -2.692 -1.429 4.438
145 HB1 ALA 44 HB1 ALA 44 -0.190 0.162 4.989
146 HB2 ALA 44 HB2 ALA 44 -0.449 -1.528 5.420
147 HB3 ALA 44 HB3 ALA 44 -1.432 -0.268 6.165
148 H THR 45 HN THR 45 -1.346 1.058 2.418
149 HA THR 45 HA THR 45 -3.006 3.162 3.498
150 HB THR 45 HB THR 45 -2.130 4.500 1.573
151 HG1 THR 45 HG1 THR 45 -1.007 1.991 0.959
152 HG21 THR 45 HG21 THR 45 0.175 4.614 2.407
153 HG22 THR 45 HG22 THR 45 -0.058 3.085 3.254
154 HG23 THR 45 HG23 THR 45 -0.986 4.507 3.729
155 H THR 46 HN THR 46 -2.920 1.192 0.551
156 HA THR 46 HA THR 46 -5.135 2.421 -0.706
157 HB THR 46 HB THR 46 -5.219 0.337 -2.093
158 HG1 THR 46 HG1 THR 46 -3.770 -0.606 -0.019
159 HG21 THR 46 HG21 THR 46 -2.503 1.605 -1.723
160 HG22 THR 46 HG22 THR 46 -3.801 2.201 -2.757
161 HG23 THR 46 HG23 THR 46 -3.008 0.671 -3.130
162 H LEU 47 HN LEU 47 -4.851 -0.520 1.271
163 HA LEU 47 HA LEU 47 -7.397 -1.515 1.110
164 HB2 LEU 47 HB2 LEU 47 -5.512 -2.531 2.365
165 HB3 LEU 47 HB1 LEU 47 -5.739 -1.337 3.627
166 HG LEU 47 HG LEU 47 -8.070 -3.042 2.896
167 HD11 LEU 47 HD11 LEU 47 -5.748 -3.992 4.569
168 HD12 LEU 47 HD12 LEU 47 -6.246 -4.648 3.010
169 HD13 LEU 47 HD13 LEU 47 -7.304 -4.806 4.412
170 HD21 LEU 47 HD21 LEU 47 -8.455 -2.879 5.332
171 HD22 LEU 47 HD22 LEU 47 -8.363 -1.303 4.547
172 HD23 LEU 47 HD23 LEU 47 -6.991 -1.907 5.475
173 H PHE 48 HN PHE 48 -6.279 1.245 2.973
174 HA PHE 48 HA PHE 48 -8.849 1.617 4.251
175 HB2 PHE 48 HB2 PHE 48 -6.790 2.146 5.475
176 HB3 PHE 48 HB1 PHE 48 -6.374 3.355 4.266
177 HD1 PHE 48 HD1 PHE 48 -7.142 5.546 4.458
178 HD2 PHE 48 HD2 PHE 48 -8.922 2.482 6.814
179 HE1 PHE 48 HE1 PHE 48 -8.379 7.249 5.731
180 HE2 PHE 48 HE2 PHE 48 -10.163 4.180 8.091
181 HZ PHE 48 HZ PHE 48 -9.894 6.566 7.549
182 H CYS 49 HN CYS 49 -6.829 3.575 2.057
183 HA CYS 49 HA CYS 49 -8.916 5.438 1.512
184 HB2 CYS 49 HB2 CYS 49 -6.320 4.954 0.043
185 HB3 CYS 49 HB1 CYS 49 -7.360 6.361 -0.149
186 HG CYS 49 HG CYS 49 -6.517 7.708 1.897
187 H LEU 50 HN LEU 50 -7.269 3.158 -0.693
188 HA LEU 50 HA LEU 50 -8.813 3.456 -2.918
189 HB2 LEU 50 HB2 LEU 50 -6.789 1.991 -2.637
190 HB3 LEU 50 HB1 LEU 50 -7.844 0.777 -1.937
191 HG LEU 50 HG LEU 50 -9.163 0.929 -4.141
192 HD11 LEU 50 HD11 LEU 50 -7.676 1.583 -6.060
193 HD12 LEU 50 HD12 LEU 50 -6.606 2.332 -4.872
194 HD13 LEU 50 HD13 LEU 50 -8.258 2.918 -5.065
195 HD21 LEU 50 HD21 LEU 50 -6.363 -0.193 -4.128
196 HD22 LEU 50 HD22 LEU 50 -7.666 -0.670 -5.216
197 HD23 LEU 50 HD23 LEU 50 -7.799 -0.990 -3.487
198 H LEU 51 HN LEU 51 -9.452 1.020 -0.379
199 HA LEU 51 HA LEU 51 -11.878 0.131 -1.501
200 HB2 LEU 51 HB2 LEU 51 -10.895 -0.018 1.346
201 HB3 LEU 51 HB1 LEU 51 -12.291 -0.880 0.729
202 HG LEU 51 HG LEU 51 -9.431 -1.274 -0.162
203 HD11 LEU 51 HD11 LEU 51 -11.283 -3.032 1.443
204 HD12 LEU 51 HD12 LEU 51 -9.862 -2.182 2.050
205 HD13 LEU 51 HD13 LEU 51 -9.676 -3.481 0.872
206 HD21 LEU 51 HD21 LEU 51 -10.344 -3.180 -1.440
207 HD22 LEU 51 HD22 LEU 51 -10.932 -1.624 -2.023
208 HD23 LEU 51 HD23 LEU 51 -11.974 -2.644 -1.032
209 H HIS 52 HN HIS 52 -11.138 2.865 0.510
210 HA HIS 52 HA HIS 52 -13.710 3.300 1.589
211 HB2 HIS 52 HB2 HIS 52 -11.769 4.426 2.516
212 HB3 HIS 52 HB1 HIS 52 -11.489 5.267 0.996
213 HD1 HIS 52 HD1 HIS 52 -12.408 7.556 0.896
214 HD2 HIS 52 HD2 HIS 52 -14.411 5.210 3.680
215 HE1 HIS 52 HE1 HIS 52 -14.052 9.096 2.014
216 HE2 HIS 52 HE2 HIS 52 -15.301 7.639 3.645
217 H PHE 53 HN PHE 53 -12.265 4.104 -1.495
218 HA PHE 53 HA PHE 53 -14.374 5.884 -2.292
219 HB2 PHE 53 HB2 PHE 53 -12.236 4.533 -3.954
220 HB3 PHE 53 HB1 PHE 53 -13.288 5.836 -4.499
221 HD1 PHE 53 HD1 PHE 53 -10.116 5.103 -3.309
222 HD2 PHE 53 HD2 PHE 53 -13.241 7.958 -2.860
223 HE1 PHE 53 HE1 PHE 53 -8.488 6.750 -2.480
224 HE2 PHE 53 HE2 PHE 53 -11.617 9.612 -2.033
225 HZ PHE 53 HZ PHE 53 -9.233 9.011 -1.859
226 H GLY 54 HN GLY 54 -14.040 2.527 -2.119
227 HA2 GLY 54 HA2 GLY 54 -15.442 0.818 -2.745
228 HA3 GLY 54 HA1 GLY 54 -16.621 2.046 -3.180
229 H VAL 55 HN VAL 55 -13.451 2.025 -4.611
230 HA VAL 55 HA VAL 55 -14.387 2.088 -7.237
231 HB VAL 55 HB VAL 55 -12.062 1.582 -7.918
232 HG11 VAL 55 HG11 VAL 55 -12.697 3.866 -7.366
233 HG12 VAL 55 HG12 VAL 55 -11.032 3.548 -6.875
234 HG13 VAL 55 HG13 VAL 55 -12.319 3.576 -5.668
235 HG21 VAL 55 HG21 VAL 55 -11.470 -0.040 -6.225
236 HG22 VAL 55 HG22 VAL 55 -11.628 1.179 -4.959
237 HG23 VAL 55 HG23 VAL 55 -10.344 1.316 -6.161
238 H ILE 56 HN ILE 56 -13.859 -0.596 -5.123
239 HA ILE 56 HA ILE 56 -14.103 -2.476 -7.372
240 HB ILE 56 HB ILE 56 -13.378 -3.141 -4.520
241 HG12 ILE 56 HG12 ILE 56 -11.667 -1.672 -5.453
242 HG13 ILE 56 HG11 ILE 56 -11.048 -3.314 -5.328
243 HG21 ILE 56 HG21 ILE 56 -14.306 -4.993 -5.805
244 HG22 ILE 56 HG22 ILE 56 -12.591 -5.248 -5.479
245 HG23 ILE 56 HG23 ILE 56 -13.115 -4.718 -7.077
246 HD11 ILE 56 HD11 ILE 56 -12.024 -1.960 -7.833
247 HD12 ILE 56 HD12 ILE 56 -11.471 -3.631 -7.727
248 HD13 ILE 56 HD13 ILE 56 -10.349 -2.309 -7.404
249 H GLY 57 HN GLY 57 -16.092 -3.150 -7.787
250 HA2 GLY 57 HA2 GLY 57 -17.759 -4.211 -5.695
251 HA3 GLY 57 HA1 GLY 57 -18.386 -2.721 -6.377
252 HA PRO 58 HA PRO 58 -20.440 -5.163 -9.445
253 HB2 PRO 58 HB2 PRO 58 -20.058 -2.917 -11.323
254 HB3 PRO 58 HB1 PRO 58 -21.555 -3.635 -10.720
255 HG2 PRO 58 HG2 PRO 58 -20.742 -1.214 -9.911
256 HG3 PRO 58 HG1 PRO 58 -21.566 -2.335 -8.810
257 HD2 PRO 58 HD2 PRO 58 -18.648 -1.695 -9.031
258 HD3 PRO 58 HD1 PRO 58 -19.643 -1.939 -7.578
259 H GLN 59 HN GLN 59 -19.048 -6.789 -10.020
260 HA GLN 59 HA GLN 59 -16.978 -6.162 -12.014
261 HB2 GLN 59 HB2 GLN 59 -17.258 -8.570 -10.208
262 HB3 GLN 59 HB1 GLN 59 -15.968 -8.325 -11.376
263 HG2 GLN 59 HG2 GLN 59 -15.236 -6.340 -10.157
264 HG3 GLN 59 HG1 GLN 59 -16.532 -6.585 -8.986
265 HE21 GLN 59 HE21 GLN 59 -15.108 -6.801 -7.274
266 HE22 GLN 59 HE22 GLN 59 -14.120 -8.203 -7.060
267 H ARG 60 HN ARG 60 -16.846 -7.294 -13.932
268 HA ARG 60 HA ARG 60 -18.751 -9.401 -14.513
269 HB2 ARG 60 HB2 ARG 60 -20.070 -7.408 -14.988
270 HB3 ARG 60 HB1 ARG 60 -18.789 -6.775 -16.012
271 HG2 ARG 60 HG2 ARG 60 -19.104 -8.642 -17.560
272 HG3 ARG 60 HG1 ARG 60 -20.396 -9.267 -16.533
273 HD2 ARG 60 HD2 ARG 60 -21.715 -7.279 -16.917
274 HD3 ARG 60 HD1 ARG 60 -20.399 -6.549 -17.839
275 HE ARG 60 HE ARG 60 -21.065 -8.988 -19.034
276 HH11 ARG 60 HH11 ARG 60 -22.455 -5.836 -18.503
277 HH12 ARG 60 HH12 ARG 60 -23.426 -5.883 -19.937
278 HH21 ARG 60 HH21 ARG 60 -22.339 -9.055 -20.921
279 HH22 ARG 60 HH22 ARG 60 -23.358 -7.711 -21.311
Start of MODEL 6
1 H1 ARG 28 HT1 ARG 28 23.144 -10.731 -2.816
2 H2 ARG 28 HT2 ARG 28 22.676 -9.595 -3.979
3 H3 ARG 28 HT3 ARG 28 21.505 -10.378 -3.043
4 HA ARG 28 HA ARG 28 22.264 -9.304 -1.061
5 HB2 ARG 28 HB2 ARG 28 24.653 -9.213 -1.720
6 HB3 ARG 28 HB1 ARG 28 24.267 -7.940 -2.874
7 HG2 ARG 28 HG2 ARG 28 23.408 -7.419 -0.113
8 HG3 ARG 28 HG1 ARG 28 25.152 -7.510 -0.358
9 HD2 ARG 28 HD2 ARG 28 24.989 -5.832 -2.132
10 HD3 ARG 28 HD1 ARG 28 23.244 -5.742 -1.898
11 HE ARG 28 HE ARG 28 24.270 -5.191 0.561
12 HH11 ARG 28 HH11 ARG 28 24.750 -3.875 -2.630
13 HH12 ARG 28 HH12 ARG 28 25.102 -2.279 -2.059
14 HH21 ARG 28 HH21 ARG 28 24.732 -3.093 1.323
15 HH22 ARG 28 HH22 ARG 28 25.092 -1.833 0.189
16 H ARG 29 HN ARG 29 20.474 -8.127 -0.773
17 HA ARG 29 HA ARG 29 19.269 -6.556 -2.774
18 HB2 ARG 29 HB2 ARG 29 18.926 -6.338 0.226
19 HB3 ARG 29 HB1 ARG 29 17.832 -5.686 -0.987
20 HG2 ARG 29 HG2 ARG 29 17.801 -8.218 -1.774
21 HG3 ARG 29 HG1 ARG 29 18.215 -8.478 -0.079
22 HD2 ARG 29 HD2 ARG 29 15.855 -6.888 -1.075
23 HD3 ARG 29 HD1 ARG 29 15.786 -8.548 -0.486
24 HE ARG 29 HE ARG 29 16.962 -7.013 1.509
25 HH11 ARG 29 HH11 ARG 29 13.901 -7.236 -0.139
26 HH12 ARG 29 HH12 ARG 29 12.985 -6.660 1.212
27 HH21 ARG 29 HH21 ARG 29 15.763 -6.250 3.295
28 HH22 ARG 29 HH22 ARG 29 14.042 -6.099 3.163
29 H CYS 30 HN CYS 30 19.902 -4.686 -3.572
30 HA CYS 30 HA CYS 30 21.939 -3.154 -2.191
31 HB2 CYS 30 HB2 CYS 30 20.761 -2.960 -4.961
32 HB3 CYS 30 HB1 CYS 30 21.966 -1.833 -4.347
33 HG CYS 30 HG CYS 30 23.887 -3.883 -3.927
34 H LEU 31 HN LEU 31 21.107 -0.697 -3.648
35 HA LEU 31 HA LEU 31 19.979 0.735 -1.611
36 HB2 LEU 31 HB2 LEU 31 19.906 1.173 -4.584
37 HB3 LEU 31 HB1 LEU 31 19.230 2.335 -3.460
38 HG LEU 31 HG LEU 31 21.463 3.006 -4.155
39 HD11 LEU 31 HD11 LEU 31 20.741 3.608 -1.918
40 HD12 LEU 31 HD12 LEU 31 22.477 3.298 -1.949
41 HD13 LEU 31 HD13 LEU 31 21.378 2.089 -1.286
42 HD21 LEU 31 HD21 LEU 31 22.342 0.748 -4.631
43 HD22 LEU 31 HD22 LEU 31 22.443 0.444 -2.896
44 HD23 LEU 31 HD23 LEU 31 23.430 1.709 -3.629
45 H PHE 32 HN PHE 32 18.366 -1.387 -3.811
46 HA PHE 32 HA PHE 32 15.766 -0.385 -3.753
47 HB2 PHE 32 HB2 PHE 32 16.647 -3.280 -3.804
48 HB3 PHE 32 HB1 PHE 32 15.044 -2.694 -4.235
49 HD1 PHE 32 HD1 PHE 32 14.737 -1.319 -6.262
50 HD2 PHE 32 HD2 PHE 32 18.463 -3.146 -5.321
51 HE1 PHE 32 HE1 PHE 32 15.476 -0.999 -8.587
52 HE2 PHE 32 HE2 PHE 32 19.210 -2.828 -7.644
53 HZ PHE 32 HZ PHE 32 17.716 -1.753 -9.281
54 H LEU 33 HN LEU 33 17.646 -1.724 -1.268
55 HA LEU 33 HA LEU 33 15.854 -2.969 0.418
56 HB2 LEU 33 HB2 LEU 33 18.456 -2.446 0.568
57 HB3 LEU 33 HB1 LEU 33 17.894 -1.128 1.580
58 HG LEU 33 HG LEU 33 18.536 -3.008 2.957
59 HD11 LEU 33 HD11 LEU 33 15.536 -2.729 2.883
60 HD12 LEU 33 HD12 LEU 33 16.652 -1.647 3.716
61 HD13 LEU 33 HD13 LEU 33 16.494 -3.324 4.238
62 HD21 LEU 33 HD21 LEU 33 17.386 -5.157 2.818
63 HD22 LEU 33 HD22 LEU 33 18.233 -4.782 1.317
64 HD23 LEU 33 HD23 LEU 33 16.483 -4.586 1.415
65 H SER 34 HN SER 34 16.762 0.482 0.418
66 HA SER 34 HA SER 34 14.688 1.143 2.302
67 HB2 SER 34 HB2 SER 34 16.810 2.370 2.311
68 HB3 SER 34 HB1 SER 34 16.500 2.937 0.670
69 HG SER 34 HG SER 34 15.773 4.098 2.887
70 H LEU 35 HN LEU 35 14.621 0.459 -0.921
71 HA LEU 35 HA LEU 35 12.619 2.455 -1.633
72 HB2 LEU 35 HB2 LEU 35 14.472 1.731 -3.196
73 HB3 LEU 35 HB1 LEU 35 13.671 0.175 -3.309
74 HG LEU 35 HG LEU 35 13.299 1.873 -5.193
75 HD11 LEU 35 HD11 LEU 35 11.968 -0.258 -4.484
76 HD12 LEU 35 HD12 LEU 35 11.337 0.828 -5.725
77 HD13 LEU 35 HD13 LEU 35 10.713 0.913 -4.076
78 HD21 LEU 35 HD21 LEU 35 11.502 3.465 -4.865
79 HD22 LEU 35 HD22 LEU 35 12.821 3.804 -3.745
80 HD23 LEU 35 HD23 LEU 35 11.362 2.997 -3.171
81 H PHE 36 HN PHE 36 12.895 -0.912 -0.792
82 HA PHE 36 HA PHE 36 10.334 -1.741 -1.695
83 HB2 PHE 36 HB2 PHE 36 12.271 -3.257 -1.191
84 HB3 PHE 36 HB1 PHE 36 11.988 -2.963 0.520
85 HD1 PHE 36 HD1 PHE 36 10.388 -4.288 -2.552
86 HD2 PHE 36 HD2 PHE 36 10.440 -4.237 1.703
87 HE1 PHE 36 HE1 PHE 36 8.761 -6.132 -2.514
88 HE2 PHE 36 HE2 PHE 36 8.811 -6.082 1.749
89 HZ PHE 36 HZ PHE 36 7.970 -7.031 -0.363
90 H SER 37 HN SER 37 11.370 0.100 0.987
91 HA SER 37 HA SER 37 9.407 -0.572 2.887
92 HB2 SER 37 HB2 SER 37 9.940 1.608 3.917
93 HB3 SER 37 HB1 SER 37 11.400 0.723 3.474
94 HG SER 37 HG SER 37 11.850 2.582 2.559
95 H PHE 38 HN PHE 38 9.331 1.466 0.064
96 HA PHE 38 HA PHE 38 6.894 2.812 0.758
97 HB2 PHE 38 HB2 PHE 38 8.500 3.876 -0.738
98 HB3 PHE 38 HB1 PHE 38 8.339 2.554 -1.889
99 HD1 PHE 38 HD1 PHE 38 6.694 2.605 -3.544
100 HD2 PHE 38 HD2 PHE 38 6.464 5.309 -0.265
101 HE1 PHE 38 HE1 PHE 38 4.862 3.803 -4.667
102 HE2 PHE 38 HE2 PHE 38 4.630 6.512 -1.383
103 HZ PHE 38 HZ PHE 38 3.831 5.763 -3.588
104 H LEU 39 HN LEU 39 7.771 -0.089 -0.978
105 HA LEU 39 HA LEU 39 5.221 -0.485 -2.200
106 HB2 LEU 39 HB2 LEU 39 7.622 -2.234 -1.763
107 HB3 LEU 39 HB1 LEU 39 6.140 -2.882 -2.445
108 HG LEU 39 HG LEU 39 6.373 -0.998 -4.194
109 HD11 LEU 39 HD11 LEU 39 8.006 0.404 -3.368
110 HD12 LEU 39 HD12 LEU 39 8.917 -0.578 -4.518
111 HD13 LEU 39 HD13 LEU 39 9.000 -0.933 -2.790
112 HD21 LEU 39 HD21 LEU 39 6.686 -3.384 -4.671
113 HD22 LEU 39 HD22 LEU 39 8.364 -3.266 -4.140
114 HD23 LEU 39 HD23 LEU 39 7.828 -2.386 -5.571
115 H ILE 40 HN ILE 40 6.587 -1.208 0.903
116 HA ILE 40 HA ILE 40 4.734 -3.256 1.629
117 HB ILE 40 HB ILE 40 6.446 -1.488 3.382
118 HG12 ILE 40 HG12 ILE 40 6.889 -4.364 2.570
119 HG13 ILE 40 HG11 ILE 40 7.614 -3.002 1.723
120 HG21 ILE 40 HG21 ILE 40 4.978 -4.034 4.058
121 HG22 ILE 40 HG22 ILE 40 4.549 -2.416 4.610
122 HG23 ILE 40 HG23 ILE 40 6.065 -3.150 5.129
123 HD11 ILE 40 HD11 ILE 40 9.170 -4.009 3.293
124 HD12 ILE 40 HD12 ILE 40 8.044 -3.708 4.616
125 HD13 ILE 40 HD13 ILE 40 8.782 -2.354 3.760
126 H VAL 41 HN VAL 41 4.909 0.242 2.189
127 HA VAL 41 HA VAL 41 2.522 0.296 3.778
128 HB VAL 41 HB VAL 41 4.502 1.998 3.748
129 HG11 VAL 41 HG11 VAL 41 4.238 2.523 1.326
130 HG12 VAL 41 HG12 VAL 41 4.207 3.937 2.379
131 HG13 VAL 41 HG13 VAL 41 2.702 3.303 1.712
132 HG21 VAL 41 HG21 VAL 41 2.589 2.156 5.230
133 HG22 VAL 41 HG22 VAL 41 1.626 2.885 3.944
134 HG23 VAL 41 HG23 VAL 41 3.011 3.752 4.608
135 H ALA 42 HN ALA 42 3.271 0.496 0.405
136 HA ALA 42 HA ALA 42 1.043 1.859 -0.571
137 HB1 ALA 42 HB1 ALA 42 3.003 1.286 -1.932
138 HB2 ALA 42 HB2 ALA 42 1.500 0.772 -2.696
139 HB3 ALA 42 HB3 ALA 42 2.527 -0.411 -1.889
140 H GLY 43 HN GLY 43 1.487 -1.590 0.124
141 HA2 GLY 43 HA2 GLY 43 -1.035 -2.438 -0.824
142 HA3 GLY 43 HA1 GLY 43 -0.020 -3.310 0.315
143 H ALA 44 HN ALA 44 0.024 -1.248 2.320
144 HA ALA 44 HA ALA 44 -2.400 -1.913 3.674
145 HB1 ALA 44 HB1 ALA 44 -0.251 0.060 4.443
146 HB2 ALA 44 HB2 ALA 44 -0.282 -1.652 4.868
147 HB3 ALA 44 HB3 ALA 44 -1.517 -0.564 5.501
148 H THR 45 HN THR 45 -1.206 0.915 1.972
149 HA THR 45 HA THR 45 -3.315 2.653 2.825
150 HB THR 45 HB THR 45 -2.492 4.174 1.047
151 HG1 THR 45 HG1 THR 45 -0.820 3.534 -0.270
152 HG21 THR 45 HG21 THR 45 -1.452 4.319 3.211
153 HG22 THR 45 HG22 THR 45 -0.198 4.474 1.979
154 HG23 THR 45 HG23 THR 45 -0.399 2.953 2.846
155 H THR 46 HN THR 46 -2.923 0.310 0.321
156 HA THR 46 HA THR 46 -4.802 1.262 -1.542
157 HB THR 46 HB THR 46 -3.966 -1.583 -0.948
158 HG1 THR 46 HG1 THR 46 -3.107 0.290 -2.923
159 HG21 THR 46 HG21 THR 46 -6.102 -1.537 -2.139
160 HG22 THR 46 HG22 THR 46 -4.808 -2.105 -3.194
161 HG23 THR 46 HG23 THR 46 -5.413 -0.455 -3.349
162 H LEU 47 HN LEU 47 -5.160 -1.040 1.152
163 HA LEU 47 HA LEU 47 -7.912 -1.520 0.751
164 HB2 LEU 47 HB2 LEU 47 -6.081 -1.875 3.109
165 HB3 LEU 47 HB1 LEU 47 -7.790 -2.242 3.216
166 HG LEU 47 HG LEU 47 -6.530 -4.269 2.820
167 HD11 LEU 47 HD11 LEU 47 -7.677 -5.092 0.836
168 HD12 LEU 47 HD12 LEU 47 -8.051 -3.437 0.355
169 HD13 LEU 47 HD13 LEU 47 -8.754 -4.107 1.828
170 HD21 LEU 47 HD21 LEU 47 -4.588 -3.259 1.725
171 HD22 LEU 47 HD22 LEU 47 -5.562 -2.953 0.287
172 HD23 LEU 47 HD23 LEU 47 -5.233 -4.611 0.795
173 H PHE 48 HN PHE 48 -6.154 0.859 2.655
174 HA PHE 48 HA PHE 48 -8.281 1.856 4.175
175 HB2 PHE 48 HB2 PHE 48 -5.902 2.405 4.579
176 HB3 PHE 48 HB1 PHE 48 -5.890 3.377 3.111
177 HD1 PHE 48 HD1 PHE 48 -6.878 5.552 3.053
178 HD2 PHE 48 HD2 PHE 48 -7.141 3.145 6.553
179 HE1 PHE 48 HE1 PHE 48 -7.630 7.511 4.339
180 HE2 PHE 48 HE2 PHE 48 -7.893 5.099 7.845
181 HZ PHE 48 HZ PHE 48 -8.127 7.286 6.745
182 H CYS 49 HN CYS 49 -7.023 2.944 1.029
183 HA CYS 49 HA CYS 49 -9.106 4.892 0.698
184 HB2 CYS 49 HB2 CYS 49 -7.105 3.807 -1.293
185 HB3 CYS 49 HB1 CYS 49 -8.145 5.203 -1.554
186 HG CYS 49 HG CYS 49 -5.226 5.524 -0.761
187 H LEU 50 HN LEU 50 -8.713 1.546 -0.033
188 HA LEU 50 HA LEU 50 -10.397 1.219 -2.223
189 HB2 LEU 50 HB2 LEU 50 -8.936 -0.458 -0.714
190 HB3 LEU 50 HB1 LEU 50 -10.533 -0.836 -0.094
191 HG LEU 50 HG LEU 50 -11.217 -1.216 -2.521
192 HD11 LEU 50 HD11 LEU 50 -8.231 -1.033 -2.806
193 HD12 LEU 50 HD12 LEU 50 -9.466 -0.140 -3.692
194 HD13 LEU 50 HD13 LEU 50 -9.257 -1.869 -3.972
195 HD21 LEU 50 HD21 LEU 50 -10.887 -3.046 -0.957
196 HD22 LEU 50 HD22 LEU 50 -9.149 -3.015 -1.260
197 HD23 LEU 50 HD23 LEU 50 -10.261 -3.480 -2.548
198 H LEU 51 HN LEU 51 -11.185 1.265 1.234
199 HA LEU 51 HA LEU 51 -14.000 0.900 0.744
200 HB2 LEU 51 HB2 LEU 51 -12.462 1.562 3.251
201 HB3 LEU 51 HB1 LEU 51 -14.192 1.285 3.206
202 HG LEU 51 HG LEU 51 -12.146 -0.770 2.366
203 HD11 LEU 51 HD11 LEU 51 -11.870 -0.269 4.727
204 HD12 LEU 51 HD12 LEU 51 -12.611 -1.856 4.513
205 HD13 LEU 51 HD13 LEU 51 -13.603 -0.477 4.989
206 HD21 LEU 51 HD21 LEU 51 -14.019 -2.323 2.544
207 HD22 LEU 51 HD22 LEU 51 -14.363 -1.049 1.373
208 HD23 LEU 51 HD23 LEU 51 -15.092 -0.993 2.977
209 H HIS 52 HN HIS 52 -11.828 3.575 1.137
210 HA HIS 52 HA HIS 52 -13.747 5.522 1.893
211 HB2 HIS 52 HB2 HIS 52 -11.276 5.775 2.176
212 HB3 HIS 52 HB1 HIS 52 -11.140 5.979 0.433
213 HD1 HIS 52 HD1 HIS 52 -11.184 8.330 -0.337
214 HD2 HIS 52 HD2 HIS 52 -13.074 7.869 3.336
215 HE1 HIS 52 HE1 HIS 52 -11.832 10.651 0.383
216 HE2 HIS 52 HE2 HIS 52 -12.964 10.350 2.613
217 H PHE 53 HN PHE 53 -12.677 4.258 -1.198
218 HA PHE 53 HA PHE 53 -14.329 6.227 -2.605
219 HB2 PHE 53 HB2 PHE 53 -12.175 4.331 -3.501
220 HB3 PHE 53 HB1 PHE 53 -13.276 5.068 -4.661
221 HD1 PHE 53 HD1 PHE 53 -10.700 5.775 -2.118
222 HD2 PHE 53 HD2 PHE 53 -13.007 7.312 -5.347
223 HE1 PHE 53 HE1 PHE 53 -9.278 7.783 -2.173
224 HE2 PHE 53 HE2 PHE 53 -11.587 9.321 -5.410
225 HZ PHE 53 HZ PHE 53 -9.731 9.566 -3.831
226 H GLY 54 HN GLY 54 -14.448 3.046 -1.458
227 HA2 GLY 54 HA2 GLY 54 -16.051 1.413 -1.636
228 HA3 GLY 54 HA1 GLY 54 -17.079 2.623 -2.388
229 H VAL 55 HN VAL 55 -13.976 1.798 -3.736
230 HA VAL 55 HA VAL 55 -14.902 1.339 -6.307
231 HB VAL 55 HB VAL 55 -12.424 0.119 -5.083
232 HG11 VAL 55 HG11 VAL 55 -13.103 0.797 -7.943
233 HG12 VAL 55 HG12 VAL 55 -12.986 -0.822 -7.255
234 HG13 VAL 55 HG13 VAL 55 -11.548 0.192 -7.372
235 HG21 VAL 55 HG21 VAL 55 -12.512 2.525 -4.676
236 HG22 VAL 55 HG22 VAL 55 -12.787 2.812 -6.394
237 HG23 VAL 55 HG23 VAL 55 -11.257 2.125 -5.849
238 H ILE 56 HN ILE 56 -14.719 -0.845 -3.595
239 HA ILE 56 HA ILE 56 -15.499 -3.098 -5.315
240 HB ILE 56 HB ILE 56 -14.559 -3.162 -2.446
241 HG12 ILE 56 HG12 ILE 56 -12.774 -2.425 -3.957
242 HG13 ILE 56 HG11 ILE 56 -12.450 -4.045 -3.351
243 HG21 ILE 56 HG21 ILE 56 -15.988 -5.040 -2.983
244 HG22 ILE 56 HG22 ILE 56 -14.316 -5.579 -2.831
245 HG23 ILE 56 HG23 ILE 56 -15.038 -5.383 -4.429
246 HD11 ILE 56 HD11 ILE 56 -13.274 -4.972 -5.475
247 HD12 ILE 56 HD12 ILE 56 -11.891 -3.900 -5.688
248 HD13 ILE 56 HD13 ILE 56 -13.514 -3.331 -6.074
249 H GLY 57 HN GLY 57 -17.631 -3.317 -5.496
250 HA2 GLY 57 HA2 GLY 57 -19.322 -2.698 -3.162
251 HA3 GLY 57 HA1 GLY 57 -19.870 -2.712 -4.832
252 HA PRO 58 HA PRO 58 -21.444 -6.807 -4.386
253 HB2 PRO 58 HB2 PRO 58 -20.092 -7.565 -6.911
254 HB3 PRO 58 HB1 PRO 58 -21.807 -7.617 -6.494
255 HG2 PRO 58 HG2 PRO 58 -20.854 -5.762 -8.160
256 HG3 PRO 58 HG1 PRO 58 -22.134 -5.380 -6.993
257 HD2 PRO 58 HD2 PRO 58 -19.211 -4.745 -6.880
258 HD3 PRO 58 HD1 PRO 58 -20.602 -3.751 -6.396
259 H GLN 59 HN GLN 59 -20.842 -9.036 -4.078
260 HA GLN 59 HA GLN 59 -19.541 -10.531 -2.941
261 HB2 GLN 59 HB2 GLN 59 -17.759 -11.454 -4.267
262 HB3 GLN 59 HB1 GLN 59 -19.071 -10.987 -5.337
263 HG2 GLN 59 HG2 GLN 59 -17.864 -8.988 -5.985
264 HG3 GLN 59 HG1 GLN 59 -16.567 -9.384 -4.858
265 HE21 GLN 59 HE21 GLN 59 -16.725 -12.245 -5.462
266 HE22 GLN 59 HE22 GLN 59 -15.988 -12.444 -7.011
267 H ARG 60 HN ARG 60 -16.674 -10.769 -2.914
268 HA ARG 60 HA ARG 60 -15.881 -8.368 -1.415
269 HB2 ARG 60 HB2 ARG 60 -15.445 -11.218 -0.502
270 HB3 ARG 60 HB1 ARG 60 -14.861 -9.776 0.318
271 HG2 ARG 60 HG2 ARG 60 -17.204 -9.060 0.645
272 HG3 ARG 60 HG1 ARG 60 -17.735 -10.578 -0.081
273 HD2 ARG 60 HD2 ARG 60 -16.544 -11.814 1.681
274 HD3 ARG 60 HD1 ARG 60 -16.071 -10.283 2.418
275 HE ARG 60 HE ARG 60 -18.920 -10.839 2.067
276 HH11 ARG 60 HH11 ARG 60 -16.167 -10.508 4.177
277 HH12 ARG 60 HH12 ARG 60 -17.122 -10.398 5.617
278 HH21 ARG 60 HH21 ARG 60 -20.185 -10.696 3.956
279 HH22 ARG 60 HH22 ARG 60 -19.407 -10.505 5.493
Start of MODEL 7
1 H1 ARG 28 HT1 ARG 28 26.253 -0.781 2.400
2 H2 ARG 28 HT2 ARG 28 25.349 -1.788 3.412
3 H3 ARG 28 HT3 ARG 28 26.668 -0.930 4.033
4 HA ARG 28 HA ARG 28 24.584 0.085 4.685
5 HB2 ARG 28 HB2 ARG 28 26.520 1.526 4.443
6 HB3 ARG 28 HB1 ARG 28 26.246 1.664 2.713
7 HG2 ARG 28 HG2 ARG 28 24.009 2.503 4.439
8 HG3 ARG 28 HG1 ARG 28 25.462 3.502 4.506
9 HD2 ARG 28 HD2 ARG 28 24.017 2.728 1.973
10 HD3 ARG 28 HD1 ARG 28 23.819 4.268 2.810
11 HE ARG 28 HE ARG 28 26.551 3.698 2.176
12 HH11 ARG 28 HH11 ARG 28 23.557 4.943 0.898
13 HH12 ARG 28 HH12 ARG 28 24.330 5.925 -0.301
14 HH21 ARG 28 HH21 ARG 28 27.574 4.988 0.602
15 HH22 ARG 28 HH22 ARG 28 26.612 5.952 -0.469
16 H ARG 29 HN ARG 29 22.519 0.478 4.228
17 HA ARG 29 HA ARG 29 21.505 -0.163 1.616
18 HB2 ARG 29 HB2 ARG 29 20.076 0.883 4.068
19 HB3 ARG 29 HB1 ARG 29 19.297 0.250 2.624
20 HG2 ARG 29 HG2 ARG 29 20.203 -1.941 3.033
21 HG3 ARG 29 HG1 ARG 29 21.138 -1.336 4.402
22 HD2 ARG 29 HD2 ARG 29 18.128 -1.313 4.214
23 HD3 ARG 29 HD1 ARG 29 19.075 -2.523 5.078
24 HE ARG 29 HE ARG 29 19.778 0.033 6.008
25 HH11 ARG 29 HH11 ARG 29 17.112 -2.211 6.078
26 HH12 ARG 29 HH12 ARG 29 16.507 -1.643 7.599
27 HH21 ARG 29 HH21 ARG 29 18.988 0.785 8.013
28 HH22 ARG 29 HH22 ARG 29 17.572 0.058 8.698
29 H CYS 30 HN CYS 30 21.281 1.217 -0.008
30 HA CYS 30 HA CYS 30 21.594 4.061 0.476
31 HB2 CYS 30 HB2 CYS 30 22.734 2.678 -1.395
32 HB3 CYS 30 HB1 CYS 30 21.187 2.799 -2.224
33 HG CYS 30 HG CYS 30 21.279 5.388 -2.804
34 H LEU 31 HN LEU 31 20.096 4.697 -2.026
35 HA LEU 31 HA LEU 31 17.759 5.669 -0.982
36 HB2 LEU 31 HB2 LEU 31 18.142 4.785 -3.828
37 HB3 LEU 31 HB1 LEU 31 17.021 5.999 -3.242
38 HG LEU 31 HG LEU 31 19.938 6.197 -3.745
39 HD11 LEU 31 HD11 LEU 31 17.613 8.084 -3.937
40 HD12 LEU 31 HD12 LEU 31 18.332 7.165 -5.260
41 HD13 LEU 31 HD13 LEU 31 19.260 8.436 -4.462
42 HD21 LEU 31 HD21 LEU 31 18.550 7.640 -1.492
43 HD22 LEU 31 HD22 LEU 31 20.029 8.225 -2.251
44 HD23 LEU 31 HD23 LEU 31 20.024 6.673 -1.413
45 H PHE 32 HN PHE 32 18.396 2.447 -2.171
46 HA PHE 32 HA PHE 32 15.815 1.529 -2.641
47 HB2 PHE 32 HB2 PHE 32 18.235 0.078 -1.561
48 HB3 PHE 32 HB1 PHE 32 16.744 -0.736 -2.027
49 HD1 PHE 32 HD1 PHE 32 15.990 -0.632 -4.407
50 HD2 PHE 32 HD2 PHE 32 19.820 0.743 -3.164
51 HE1 PHE 32 HE1 PHE 32 16.779 -0.739 -6.735
52 HE2 PHE 32 HE2 PHE 32 20.615 0.642 -5.489
53 HZ PHE 32 HZ PHE 32 19.080 -0.099 -7.283
54 H LEU 33 HN LEU 33 17.277 2.474 0.269
55 HA LEU 33 HA LEU 33 16.134 0.964 2.249
56 HB2 LEU 33 HB2 LEU 33 17.732 2.964 2.409
57 HB3 LEU 33 HB1 LEU 33 16.294 3.966 2.395
58 HG LEU 33 HG LEU 33 15.537 2.546 4.417
59 HD11 LEU 33 HD11 LEU 33 17.178 0.787 4.232
60 HD12 LEU 33 HD12 LEU 33 17.419 1.663 5.744
61 HD13 LEU 33 HD13 LEU 33 18.491 1.956 4.374
62 HD21 LEU 33 HD21 LEU 33 16.180 4.907 4.534
63 HD22 LEU 33 HD22 LEU 33 17.874 4.437 4.674
64 HD23 LEU 33 HD23 LEU 33 16.733 4.013 5.950
65 H SER 34 HN SER 34 14.739 3.850 0.704
66 HA SER 34 HA SER 34 12.214 3.490 2.056
67 HB2 SER 34 HB2 SER 34 13.022 5.750 1.587
68 HB3 SER 34 HB1 SER 34 13.020 5.409 -0.143
69 HG SER 34 HG SER 34 10.628 4.908 1.116
70 H LEU 35 HN LEU 35 13.648 2.295 -0.773
71 HA LEU 35 HA LEU 35 11.261 2.008 -2.334
72 HB2 LEU 35 HB2 LEU 35 13.586 2.136 -3.270
73 HB3 LEU 35 HB1 LEU 35 13.881 0.536 -2.620
74 HG LEU 35 HG LEU 35 13.303 0.761 -5.114
75 HD11 LEU 35 HD11 LEU 35 11.552 -1.192 -3.691
76 HD12 LEU 35 HD12 LEU 35 13.306 -1.292 -3.540
77 HD13 LEU 35 HD13 LEU 35 12.550 -1.415 -5.130
78 HD21 LEU 35 HD21 LEU 35 11.350 2.228 -4.818
79 HD22 LEU 35 HD22 LEU 35 10.518 0.930 -3.963
80 HD23 LEU 35 HD23 LEU 35 10.941 0.735 -5.663
81 H PHE 36 HN PHE 36 13.099 -0.037 -0.132
82 HA PHE 36 HA PHE 36 11.641 -2.422 -0.655
83 HB2 PHE 36 HB2 PHE 36 13.914 -2.396 0.332
84 HB3 PHE 36 HB1 PHE 36 13.253 -1.676 1.796
85 HD1 PHE 36 HD1 PHE 36 13.330 -4.716 -0.282
86 HD2 PHE 36 HD2 PHE 36 12.133 -2.994 3.422
87 HE1 PHE 36 HE1 PHE 36 12.872 -6.963 0.609
88 HE2 PHE 36 HE2 PHE 36 11.674 -5.237 4.320
89 HZ PHE 36 HZ PHE 36 12.056 -7.227 2.916
90 H SER 37 HN SER 37 11.210 0.277 1.526
91 HA SER 37 HA SER 37 9.163 -1.042 3.077
92 HB2 SER 37 HB2 SER 37 10.611 0.622 4.143
93 HB3 SER 37 HB1 SER 37 10.036 1.857 3.024
94 HG SER 37 HG SER 37 8.424 0.435 4.881
95 H PHE 38 HN PHE 38 9.254 0.410 0.066
96 HA PHE 38 HA PHE 38 6.620 1.597 0.157
97 HB2 PHE 38 HB2 PHE 38 8.387 2.558 -1.271
98 HB3 PHE 38 HB1 PHE 38 8.435 1.068 -2.207
99 HD1 PHE 38 HD1 PHE 38 7.017 0.764 -4.024
100 HD2 PHE 38 HD2 PHE 38 6.198 3.864 -1.227
101 HE1 PHE 38 HE1 PHE 38 5.258 1.632 -5.508
102 HE2 PHE 38 HE2 PHE 38 4.438 4.739 -2.704
103 HZ PHE 38 HZ PHE 38 3.961 3.627 -4.841
104 H LEU 39 HN LEU 39 8.112 -1.299 -1.247
105 HA LEU 39 HA LEU 39 5.825 -2.250 -2.577
106 HB2 LEU 39 HB2 LEU 39 8.329 -3.535 -1.562
107 HB3 LEU 39 HB1 LEU 39 7.028 -4.539 -2.182
108 HG LEU 39 HG LEU 39 7.187 -3.007 -4.277
109 HD11 LEU 39 HD11 LEU 39 9.670 -2.352 -4.537
110 HD12 LEU 39 HD12 LEU 39 9.691 -2.393 -2.772
111 HD13 LEU 39 HD13 LEU 39 8.598 -1.295 -3.616
112 HD21 LEU 39 HD21 LEU 39 9.356 -4.997 -3.608
113 HD22 LEU 39 HD22 LEU 39 8.896 -4.473 -5.228
114 HD23 LEU 39 HD23 LEU 39 7.755 -5.384 -4.238
115 H ILE 40 HN ILE 40 6.743 -2.286 0.753
116 HA ILE 40 HA ILE 40 4.942 -4.386 1.531
117 HB ILE 40 HB ILE 40 6.325 -2.312 3.239
118 HG12 ILE 40 HG12 ILE 40 7.095 -5.194 2.750
119 HG13 ILE 40 HG11 ILE 40 7.827 -3.830 1.909
120 HG21 ILE 40 HG21 ILE 40 4.994 -4.908 4.002
121 HG22 ILE 40 HG22 ILE 40 4.374 -3.291 4.335
122 HG23 ILE 40 HG23 ILE 40 5.870 -3.837 5.094
123 HD11 ILE 40 HD11 ILE 40 9.209 -4.611 3.757
124 HD12 ILE 40 HD12 ILE 40 7.889 -4.293 4.883
125 HD13 ILE 40 HD13 ILE 40 8.655 -2.958 4.020
126 H VAL 41 HN VAL 41 4.988 -0.846 1.865
127 HA VAL 41 HA VAL 41 2.429 -0.686 3.084
128 HB VAL 41 HB VAL 41 4.221 1.075 3.220
129 HG11 VAL 41 HG11 VAL 41 4.357 2.734 1.442
130 HG12 VAL 41 HG12 VAL 41 3.234 1.789 0.462
131 HG13 VAL 41 HG13 VAL 41 4.825 1.138 0.857
132 HG21 VAL 41 HG21 VAL 41 1.961 1.522 3.975
133 HG22 VAL 41 HG22 VAL 41 1.474 1.955 2.335
134 HG23 VAL 41 HG23 VAL 41 2.636 2.957 3.204
135 H ALA 42 HN ALA 42 3.488 -0.997 -0.175
136 HA ALA 42 HA ALA 42 1.470 0.221 -1.625
137 HB1 ALA 42 HB1 ALA 42 3.494 -0.771 -2.613
138 HB2 ALA 42 HB2 ALA 42 2.022 -1.295 -3.430
139 HB3 ALA 42 HB3 ALA 42 2.838 -2.379 -2.304
140 H GLY 43 HN GLY 43 1.422 -2.808 0.133
141 HA2 GLY 43 HA2 GLY 43 -1.104 -3.641 -1.006
142 HA3 GLY 43 HA1 GLY 43 -0.221 -4.450 0.280
143 H ALA 44 HN ALA 44 -0.028 -1.894 1.809
144 HA ALA 44 HA ALA 44 -2.552 -2.169 3.190
145 HB1 ALA 44 HB1 ALA 44 -0.458 -2.025 4.447
146 HB2 ALA 44 HB2 ALA 44 -1.563 -0.718 4.876
147 HB3 ALA 44 HB3 ALA 44 -0.190 -0.401 3.814
148 H THR 45 HN THR 45 -1.135 0.012 0.917
149 HA THR 45 HA THR 45 -2.678 2.313 1.539
150 HB THR 45 HB THR 45 -2.087 3.058 -0.785
151 HG1 THR 45 HG1 THR 45 -0.941 1.734 -2.084
152 HG21 THR 45 HG21 THR 45 0.217 2.044 0.885
153 HG22 THR 45 HG22 THR 45 -0.649 3.557 1.148
154 HG23 THR 45 HG23 THR 45 0.292 3.325 -0.325
155 H THR 46 HN THR 46 -3.351 -0.598 -0.195
156 HA THR 46 HA THR 46 -5.444 0.322 -1.851
157 HB THR 46 HB THR 46 -5.072 -2.437 -0.667
158 HG1 THR 46 HG1 THR 46 -4.305 -1.480 -3.237
159 HG21 THR 46 HG21 THR 46 -6.431 -3.196 -2.561
160 HG22 THR 46 HG22 THR 46 -6.661 -1.522 -3.068
161 HG23 THR 46 HG23 THR 46 -7.333 -2.080 -1.536
162 H LEU 47 HN LEU 47 -5.532 -1.287 1.325
163 HA LEU 47 HA LEU 47 -8.325 -1.101 1.653
164 HB2 LEU 47 HB2 LEU 47 -6.052 -1.479 3.585
165 HB3 LEU 47 HB1 LEU 47 -7.714 -1.396 4.127
166 HG LEU 47 HG LEU 47 -7.037 -3.703 3.966
167 HD11 LEU 47 HD11 LEU 47 -8.868 -3.016 1.674
168 HD12 LEU 47 HD12 LEU 47 -9.350 -3.146 3.366
169 HD13 LEU 47 HD13 LEU 47 -8.761 -4.568 2.504
170 HD21 LEU 47 HD21 LEU 47 -6.330 -4.720 1.879
171 HD22 LEU 47 HD22 LEU 47 -5.232 -3.415 2.327
172 HD23 LEU 47 HD23 LEU 47 -6.434 -3.161 1.061
173 H PHE 48 HN PHE 48 -5.678 1.055 2.472
174 HA PHE 48 HA PHE 48 -7.098 2.819 4.141
175 HB2 PHE 48 HB2 PHE 48 -4.628 2.766 3.953
176 HB3 PHE 48 HB1 PHE 48 -4.754 3.442 2.333
177 HD1 PHE 48 HD1 PHE 48 -5.275 4.125 5.915
178 HD2 PHE 48 HD2 PHE 48 -5.109 5.760 1.990
179 HE1 PHE 48 HE1 PHE 48 -5.239 6.394 6.866
180 HE2 PHE 48 HE2 PHE 48 -5.070 8.032 2.933
181 HZ PHE 48 HZ PHE 48 -5.135 8.351 5.374
182 H CYS 49 HN CYS 49 -6.501 2.865 0.647
183 HA CYS 49 HA CYS 49 -8.024 5.266 0.242
184 HB2 CYS 49 HB2 CYS 49 -6.154 4.699 -1.238
185 HB3 CYS 49 HB1 CYS 49 -6.990 3.235 -1.748
186 HG CYS 49 HG CYS 49 -9.170 4.764 -2.846
187 H LEU 50 HN LEU 50 -8.692 1.894 0.385
188 HA LEU 50 HA LEU 50 -11.013 1.778 -1.206
189 HB2 LEU 50 HB2 LEU 50 -9.519 -0.052 0.092
190 HB3 LEU 50 HB1 LEU 50 -10.876 0.057 1.198
191 HG LEU 50 HG LEU 50 -12.357 -0.368 -0.848
192 HD11 LEU 50 HD11 LEU 50 -11.115 -1.713 -2.606
193 HD12 LEU 50 HD12 LEU 50 -9.637 -1.006 -1.949
194 HD13 LEU 50 HD13 LEU 50 -10.883 0.035 -2.637
195 HD21 LEU 50 HD21 LEU 50 -12.016 -2.791 -0.694
196 HD22 LEU 50 HD22 LEU 50 -11.984 -2.026 0.895
197 HD23 LEU 50 HD23 LEU 50 -10.476 -2.519 0.123
198 H LEU 51 HN LEU 51 -10.446 2.847 2.065
199 HA LEU 51 HA LEU 51 -13.098 2.767 3.014
200 HB2 LEU 51 HB2 LEU 51 -10.889 4.666 3.812
201 HB3 LEU 51 HB1 LEU 51 -12.338 4.321 4.737
202 HG LEU 51 HG LEU 51 -10.196 2.292 4.097
203 HD11 LEU 51 HD11 LEU 51 -10.734 3.794 6.654
204 HD12 LEU 51 HD12 LEU 51 -9.353 4.032 5.583
205 HD13 LEU 51 HD13 LEU 51 -9.553 2.503 6.438
206 HD21 LEU 51 HD21 LEU 51 -11.335 0.924 5.770
207 HD22 LEU 51 HD22 LEU 51 -12.407 1.311 4.424
208 HD23 LEU 51 HD23 LEU 51 -12.568 2.170 5.956
209 H HIS 52 HN HIS 52 -11.463 4.940 0.881
210 HA HIS 52 HA HIS 52 -13.304 7.122 1.223
211 HB2 HIS 52 HB2 HIS 52 -11.234 6.602 -0.920
212 HB3 HIS 52 HB1 HIS 52 -12.134 8.102 -0.728
213 HD1 HIS 52 HD1 HIS 52 -9.246 6.214 0.609
214 HD2 HIS 52 HD2 HIS 52 -11.392 9.645 1.549
215 HE1 HIS 52 HE1 HIS 52 -7.831 7.456 2.276
216 HE2 HIS 52 HE2 HIS 52 -9.164 9.513 2.856
217 H PHE 53 HN PHE 53 -13.151 4.268 -0.727
218 HA PHE 53 HA PHE 53 -14.937 5.163 -2.769
219 HB2 PHE 53 HB2 PHE 53 -13.857 2.482 -1.951
220 HB3 PHE 53 HB1 PHE 53 -15.144 2.601 -3.148
221 HD1 PHE 53 HD1 PHE 53 -14.694 3.266 -5.370
222 HD2 PHE 53 HD2 PHE 53 -11.659 3.544 -2.399
223 HE1 PHE 53 HE1 PHE 53 -13.019 3.685 -7.125
224 HE2 PHE 53 HE2 PHE 53 -9.980 3.963 -4.147
225 HZ PHE 53 HZ PHE 53 -10.670 4.036 -6.524
226 H GLY 54 HN GLY 54 -15.396 4.403 0.448
227 HA2 GLY 54 HA2 GLY 54 -17.294 4.192 1.721
228 HA3 GLY 54 HA1 GLY 54 -18.208 4.656 0.295
229 H VAL 55 HN VAL 55 -16.133 1.898 0.096
230 HA VAL 55 HA VAL 55 -18.218 0.173 -0.672
231 HB VAL 55 HB VAL 55 -16.490 -1.659 -0.301
232 HG11 VAL 55 HG11 VAL 55 -15.148 -0.956 -2.232
233 HG12 VAL 55 HG12 VAL 55 -15.762 0.687 -2.055
234 HG13 VAL 55 HG13 VAL 55 -16.864 -0.625 -2.473
235 HG21 VAL 55 HG21 VAL 55 -15.207 -0.497 1.442
236 HG22 VAL 55 HG22 VAL 55 -14.715 0.716 0.260
237 HG23 VAL 55 HG23 VAL 55 -14.193 -0.958 0.075
238 H ILE 56 HN ILE 56 -16.944 1.014 2.430
239 HA ILE 56 HA ILE 56 -18.781 -0.912 3.670
240 HB ILE 56 HB ILE 56 -16.016 -0.253 4.678
241 HG12 ILE 56 HG12 ILE 56 -16.623 -3.056 4.239
242 HG13 ILE 56 HG11 ILE 56 -16.821 -2.124 2.760
243 HG21 ILE 56 HG21 ILE 56 -16.492 -1.925 6.422
244 HG22 ILE 56 HG22 ILE 56 -18.148 -2.053 5.827
245 HG23 ILE 56 HG23 ILE 56 -17.572 -0.534 6.515
246 HD11 ILE 56 HD11 ILE 56 -14.546 -1.267 3.006
247 HD12 ILE 56 HD12 ILE 56 -14.584 -3.028 2.922
248 HD13 ILE 56 HD13 ILE 56 -14.352 -2.225 4.475
249 H GLY 57 HN GLY 57 -16.622 1.682 4.733
250 HA2 GLY 57 HA2 GLY 57 -18.031 3.823 5.191
251 HA3 GLY 57 HA1 GLY 57 -18.817 2.765 6.354
252 HA PRO 58 HA PRO 58 -15.289 4.825 8.538
253 HB2 PRO 58 HB2 PRO 58 -16.653 5.558 10.743
254 HB3 PRO 58 HB1 PRO 58 -16.674 6.523 9.262
255 HG2 PRO 58 HG2 PRO 58 -18.707 4.576 10.282
256 HG3 PRO 58 HG1 PRO 58 -18.956 6.177 9.563
257 HD2 PRO 58 HD2 PRO 58 -19.255 3.857 8.170
258 HD3 PRO 58 HD1 PRO 58 -18.750 5.383 7.418
259 H GLN 59 HN GLN 59 -16.922 2.023 8.754
260 HA GLN 59 HA GLN 59 -16.469 1.166 11.410
261 HB2 GLN 59 HB2 GLN 59 -18.043 0.067 9.833
262 HB3 GLN 59 HB1 GLN 59 -16.668 -0.521 8.908
263 HG2 GLN 59 HG2 GLN 59 -17.532 -2.261 10.338
264 HG3 GLN 59 HG1 GLN 59 -15.910 -1.797 10.850
265 HE21 GLN 59 HE21 GLN 59 -16.207 -2.571 12.927
266 HE22 GLN 59 HE22 GLN 59 -17.223 -1.777 14.077
267 H ARG 60 HN ARG 60 -14.393 1.623 12.064
268 HA ARG 60 HA ARG 60 -12.167 1.312 12.385
269 HB2 ARG 60 HB2 ARG 60 -12.925 -1.057 12.582
270 HB3 ARG 60 HB1 ARG 60 -12.588 -1.269 10.869
271 HG2 ARG 60 HG2 ARG 60 -10.213 -0.631 11.352
272 HG3 ARG 60 HG1 ARG 60 -10.620 -0.696 13.068
273 HD2 ARG 60 HD2 ARG 60 -10.819 -2.960 11.085
274 HD3 ARG 60 HD1 ARG 60 -9.616 -2.787 12.362
275 HE ARG 60 HE ARG 60 -11.840 -2.775 13.798
276 HH11 ARG 60 HH11 ARG 60 -10.920 -4.820 11.130
277 HH12 ARG 60 HH12 ARG 60 -11.835 -6.179 11.689
278 HH21 ARG 60 HH21 ARG 60 -13.049 -4.559 14.539
279 HH22 ARG 60 HH22 ARG 60 -13.047 -6.031 13.626
Start of MODEL 8
1 H1 ARG 28 HT1 ARG 28 26.091 -4.253 0.083
2 H2 ARG 28 HT2 ARG 28 25.336 -5.477 0.975
3 H3 ARG 28 HT3 ARG 28 26.868 -4.924 1.428
4 HA ARG 28 HA ARG 28 25.103 -4.071 2.867
5 HB2 ARG 28 HB2 ARG 28 25.784 -1.689 2.723
6 HB3 ARG 28 HB1 ARG 28 27.147 -2.796 2.667
7 HG2 ARG 28 HG2 ARG 28 27.793 -1.501 0.954
8 HG3 ARG 28 HG1 ARG 28 26.672 -2.503 0.032
9 HD2 ARG 28 HD2 ARG 28 24.928 -0.841 0.261
10 HD3 ARG 28 HD1 ARG 28 25.944 0.119 1.338
11 HE ARG 28 HE ARG 28 27.268 -0.250 -1.117
12 HH11 ARG 28 HH11 ARG 28 24.549 1.449 0.248
13 HH12 ARG 28 HH12 ARG 28 24.619 2.746 -0.899
14 HH21 ARG 28 HH21 ARG 28 27.375 1.456 -2.623
15 HH22 ARG 28 HH22 ARG 28 26.226 2.750 -2.531
16 H ARG 29 HN ARG 29 23.152 -3.108 3.110
17 HA ARG 29 HA ARG 29 21.357 -3.080 0.949
18 HB2 ARG 29 HB2 ARG 29 19.895 -1.755 2.597
19 HB3 ARG 29 HB1 ARG 29 20.388 -3.376 3.066
20 HG2 ARG 29 HG2 ARG 29 22.186 -1.209 3.919
21 HG3 ARG 29 HG1 ARG 29 20.587 -1.221 4.664
22 HD2 ARG 29 HD2 ARG 29 22.555 -3.509 4.606
23 HD3 ARG 29 HD1 ARG 29 22.166 -2.502 6.001
24 HE ARG 29 HE ARG 29 19.783 -3.606 5.097
25 HH11 ARG 29 HH11 ARG 29 22.806 -4.705 6.442
26 HH12 ARG 29 HH12 ARG 29 22.112 -6.106 7.184
27 HH21 ARG 29 HH21 ARG 29 18.862 -5.445 6.071
28 HH22 ARG 29 HH22 ARG 29 19.869 -6.530 6.971
29 H CYS 30 HN CYS 30 21.174 -1.660 -0.645
30 HA CYS 30 HA CYS 30 22.393 0.977 -0.331
31 HB2 CYS 30 HB2 CYS 30 22.814 -0.718 -2.296
32 HB3 CYS 30 HB1 CYS 30 21.316 -0.049 -2.932
33 HG CYS 30 HG CYS 30 24.380 1.262 -2.883
34 H LEU 31 HN LEU 31 20.813 1.973 -2.646
35 HA LEU 31 HA LEU 31 18.942 3.498 -1.324
36 HB2 LEU 31 HB2 LEU 31 19.179 2.673 -4.200
37 HB3 LEU 31 HB1 LEU 31 17.879 3.719 -3.662
38 HG LEU 31 HG LEU 31 19.721 5.008 -4.619
39 HD11 LEU 31 HD11 LEU 31 19.406 5.364 -1.643
40 HD12 LEU 31 HD12 LEU 31 18.396 6.070 -2.904
41 HD13 LEU 31 HD13 LEU 31 20.081 6.565 -2.744
42 HD21 LEU 31 HD21 LEU 31 21.389 3.877 -2.372
43 HD22 LEU 31 HD22 LEU 31 21.894 5.109 -3.529
44 HD23 LEU 31 HD23 LEU 31 21.550 3.470 -4.080
45 H PHE 32 HN PHE 32 18.669 0.224 -2.375
46 HA PHE 32 HA PHE 32 15.912 -0.072 -2.635
47 HB2 PHE 32 HB2 PHE 32 17.943 -2.024 -1.528
48 HB3 PHE 32 HB1 PHE 32 16.295 -2.447 -1.981
49 HD1 PHE 32 HD1 PHE 32 15.732 -2.914 -4.207
50 HD2 PHE 32 HD2 PHE 32 19.516 -1.194 -3.297
51 HE1 PHE 32 HE1 PHE 32 16.466 -3.316 -6.521
52 HE2 PHE 32 HE2 PHE 32 20.258 -1.593 -5.609
53 HZ PHE 32 HZ PHE 32 18.732 -2.653 -7.224
54 H LEU 33 HN LEU 33 17.792 0.654 0.087
55 HA LEU 33 HA LEU 33 16.460 -0.432 2.240
56 HB2 LEU 33 HB2 LEU 33 18.550 1.183 2.004
57 HB3 LEU 33 HB1 LEU 33 17.354 2.415 2.358
58 HG LEU 33 HG LEU 33 18.533 1.764 4.376
59 HD11 LEU 33 HD11 LEU 33 16.631 1.198 5.798
60 HD12 LEU 33 HD12 LEU 33 15.691 0.760 4.370
61 HD13 LEU 33 HD13 LEU 33 16.208 2.431 4.609
62 HD21 LEU 33 HD21 LEU 33 18.395 -0.479 5.280
63 HD22 LEU 33 HD22 LEU 33 19.134 -0.506 3.679
64 HD23 LEU 33 HD23 LEU 33 17.455 -1.006 3.883
65 H SER 34 HN SER 34 15.821 2.704 0.679
66 HA SER 34 HA SER 34 13.375 3.030 2.205
67 HB2 SER 34 HB2 SER 34 14.618 4.792 0.083
68 HB3 SER 34 HB1 SER 34 13.229 5.219 1.083
69 HG SER 34 HG SER 34 14.657 4.898 2.918
70 H LEU 35 HN LEU 35 14.288 1.785 -0.853
71 HA LEU 35 HA LEU 35 11.785 2.288 -2.170
72 HB2 LEU 35 HB2 LEU 35 13.997 2.003 -3.332
73 HB3 LEU 35 HB1 LEU 35 13.930 0.302 -2.920
74 HG LEU 35 HG LEU 35 13.229 1.047 -5.288
75 HD11 LEU 35 HD11 LEU 35 12.017 -0.894 -5.508
76 HD12 LEU 35 HD12 LEU 35 11.196 -0.683 -3.963
77 HD13 LEU 35 HD13 LEU 35 12.888 -1.179 -4.000
78 HD21 LEU 35 HD21 LEU 35 11.697 2.834 -4.574
79 HD22 LEU 35 HD22 LEU 35 10.666 1.628 -3.801
80 HD23 LEU 35 HD23 LEU 35 10.883 1.611 -5.551
81 H PHE 36 HN PHE 36 13.135 -0.240 -0.200
82 HA PHE 36 HA PHE 36 11.298 -2.288 -0.917
83 HB2 PHE 36 HB2 PHE 36 13.503 -2.722 0.130
84 HB3 PHE 36 HB1 PHE 36 12.918 -1.994 1.622
85 HD1 PHE 36 HD1 PHE 36 12.534 -4.852 -0.672
86 HD2 PHE 36 HD2 PHE 36 11.546 -3.206 3.126
87 HE1 PHE 36 HE1 PHE 36 11.667 -7.040 0.046
88 HE2 PHE 36 HE2 PHE 36 10.678 -5.390 3.851
89 HZ PHE 36 HZ PHE 36 10.738 -7.310 2.312
90 H SER 37 HN SER 37 11.072 0.472 1.112
91 HA SER 37 HA SER 37 9.035 -0.533 2.855
92 HB2 SER 37 HB2 SER 37 10.483 1.309 3.559
93 HB3 SER 37 HB1 SER 37 9.867 2.313 2.247
94 HG SER 37 HG SER 37 8.330 1.250 4.385
95 H PHE 38 HN PHE 38 9.078 1.214 -0.195
96 HA PHE 38 HA PHE 38 6.362 1.981 -0.218
97 HB2 PHE 38 HB2 PHE 38 8.276 1.493 -2.507
98 HB3 PHE 38 HB1 PHE 38 6.687 2.229 -2.681
99 HD1 PHE 38 HD1 PHE 38 10.092 2.870 -2.294
100 HD2 PHE 38 HD2 PHE 38 6.272 4.297 -1.075
101 HE1 PHE 38 HE1 PHE 38 11.074 5.075 -1.813
102 HE2 PHE 38 HE2 PHE 38 7.247 6.506 -0.593
103 HZ PHE 38 HZ PHE 38 9.651 6.896 -0.964
104 H LEU 39 HN LEU 39 7.968 -1.011 -1.016
105 HA LEU 39 HA LEU 39 5.802 -2.150 -2.482
106 HB2 LEU 39 HB2 LEU 39 8.320 -3.199 -1.267
107 HB3 LEU 39 HB1 LEU 39 7.087 -4.335 -1.786
108 HG LEU 39 HG LEU 39 7.213 -3.116 -4.054
109 HD11 LEU 39 HD11 LEU 39 8.424 -1.198 -3.653
110 HD12 LEU 39 HD12 LEU 39 9.656 -2.270 -4.323
111 HD13 LEU 39 HD13 LEU 39 9.555 -2.018 -2.578
112 HD21 LEU 39 HD21 LEU 39 8.026 -5.396 -3.644
113 HD22 LEU 39 HD22 LEU 39 9.566 -4.740 -3.088
114 HD23 LEU 39 HD23 LEU 39 9.070 -4.521 -4.765
115 H ILE 40 HN ILE 40 6.540 -1.821 0.880
116 HA ILE 40 HA ILE 40 4.684 -3.894 1.699
117 HB ILE 40 HB ILE 40 6.173 -1.858 3.363
118 HG12 ILE 40 HG12 ILE 40 6.741 -4.804 2.993
119 HG13 ILE 40 HG11 ILE 40 7.573 -3.533 2.104
120 HG21 ILE 40 HG21 ILE 40 5.574 -3.230 5.271
121 HG22 ILE 40 HG22 ILE 40 4.696 -4.342 4.223
122 HG23 ILE 40 HG23 ILE 40 4.118 -2.690 4.434
123 HD11 ILE 40 HD11 ILE 40 8.900 -4.304 3.979
124 HD12 ILE 40 HD12 ILE 40 7.590 -3.905 5.091
125 HD13 ILE 40 HD13 ILE 40 8.419 -2.623 4.207
126 H VAL 41 HN VAL 41 4.889 -0.347 1.924
127 HA VAL 41 HA VAL 41 2.386 0.020 3.165
128 HB VAL 41 HB VAL 41 4.219 1.735 3.034
129 HG11 VAL 41 HG11 VAL 41 3.119 2.237 0.272
130 HG12 VAL 41 HG12 VAL 41 4.675 1.482 0.621
131 HG13 VAL 41 HG13 VAL 41 4.383 3.156 1.091
132 HG21 VAL 41 HG21 VAL 41 1.467 2.605 2.158
133 HG22 VAL 41 HG22 VAL 41 2.689 3.649 2.883
134 HG23 VAL 41 HG23 VAL 41 1.994 2.324 3.817
135 H ALA 42 HN ALA 42 3.270 -0.669 -0.086
136 HA ALA 42 HA ALA 42 1.221 0.454 -1.567
137 HB1 ALA 42 HB1 ALA 42 2.482 -2.247 -2.018
138 HB2 ALA 42 HB2 ALA 42 3.164 -0.704 -2.530
139 HB3 ALA 42 HB3 ALA 42 1.642 -1.267 -3.219
140 H GLY 43 HN GLY 43 1.143 -2.310 0.565
141 HA2 GLY 43 HA2 GLY 43 -1.430 -3.231 -0.385
142 HA3 GLY 43 HA1 GLY 43 -0.532 -3.868 0.984
143 H ALA 44 HN ALA 44 -0.214 -1.239 2.227
144 HA ALA 44 HA ALA 44 -2.709 -1.200 3.657
145 HB1 ALA 44 HB1 ALA 44 -0.586 -0.946 4.835
146 HB2 ALA 44 HB2 ALA 44 -1.625 0.457 5.087
147 HB3 ALA 44 HB3 ALA 44 -0.272 0.552 3.960
148 H THR 45 HN THR 45 -1.272 0.608 1.090
149 HA THR 45 HA THR 45 -2.854 2.970 1.400
150 HB THR 45 HB THR 45 -2.102 3.500 -0.925
151 HG1 THR 45 HG1 THR 45 -1.251 1.973 -2.112
152 HG21 THR 45 HG21 THR 45 0.038 2.645 1.027
153 HG22 THR 45 HG22 THR 45 -0.751 4.221 0.951
154 HG23 THR 45 HG23 THR 45 0.302 3.697 -0.363
155 H THR 46 HN THR 46 -3.329 -0.132 -0.022
156 HA THR 46 HA THR 46 -5.484 0.660 -1.765
157 HB THR 46 HB THR 46 -4.739 -2.125 -0.853
158 HG1 THR 46 HG1 THR 46 -3.868 -0.618 -3.113
159 HG21 THR 46 HG21 THR 46 -6.308 -1.135 -3.236
160 HG22 THR 46 HG22 THR 46 -6.961 -1.988 -1.837
161 HG23 THR 46 HG23 THR 46 -5.855 -2.813 -2.937
162 H LEU 47 HN LEU 47 -5.305 -1.416 1.129
163 HA LEU 47 HA LEU 47 -8.027 -1.744 1.533
164 HB2 LEU 47 HB2 LEU 47 -6.383 -3.068 2.705
165 HB3 LEU 47 HB1 LEU 47 -5.776 -1.650 3.538
166 HG LEU 47 HG LEU 47 -8.640 -2.281 3.954
167 HD11 LEU 47 HD11 LEU 47 -6.431 -3.949 5.150
168 HD12 LEU 47 HD12 LEU 47 -7.669 -4.510 4.025
169 HD13 LEU 47 HD13 LEU 47 -8.124 -3.977 5.644
170 HD21 LEU 47 HD21 LEU 47 -7.554 -0.385 5.053
171 HD22 LEU 47 HD22 LEU 47 -6.383 -1.479 5.789
172 HD23 LEU 47 HD23 LEU 47 -8.087 -1.586 6.229
173 H PHE 48 HN PHE 48 -6.016 1.004 2.236
174 HA PHE 48 HA PHE 48 -7.917 2.234 4.024
175 HB2 PHE 48 HB2 PHE 48 -5.530 2.648 4.322
176 HB3 PHE 48 HB1 PHE 48 -5.430 3.345 2.709
177 HD1 PHE 48 HD1 PHE 48 -5.974 5.604 2.321
178 HD2 PHE 48 HD2 PHE 48 -6.855 3.820 6.083
179 HE1 PHE 48 HE1 PHE 48 -6.485 7.824 3.247
180 HE2 PHE 48 HE2 PHE 48 -7.369 6.039 7.018
181 HZ PHE 48 HZ PHE 48 -7.181 8.044 5.599
182 H CYS 49 HN CYS 49 -6.561 3.300 0.900
183 HA CYS 49 HA CYS 49 -8.388 5.324 0.403
184 HB2 CYS 49 HB2 CYS 49 -6.901 3.591 -1.575
185 HB3 CYS 49 HB1 CYS 49 -7.730 5.089 -1.984
186 HG CYS 49 HG CYS 49 -5.463 6.313 -1.817
187 H LEU 50 HN LEU 50 -8.528 1.935 -0.665
188 HA LEU 50 HA LEU 50 -10.770 1.998 -2.243
189 HB2 LEU 50 HB2 LEU 50 -9.180 0.039 -1.441
190 HB3 LEU 50 HB1 LEU 50 -10.500 -0.266 -0.327
191 HG LEU 50 HG LEU 50 -12.010 -0.311 -2.392
192 HD11 LEU 50 HD11 LEU 50 -10.710 -1.034 -4.453
193 HD12 LEU 50 HD12 LEU 50 -9.288 -0.357 -3.656
194 HD13 LEU 50 HD13 LEU 50 -10.662 0.680 -4.041
195 HD21 LEU 50 HD21 LEU 50 -9.899 -2.440 -2.055
196 HD22 LEU 50 HD22 LEU 50 -11.451 -2.643 -2.866
197 HD23 LEU 50 HD23 LEU 50 -11.398 -2.312 -1.136
198 H LEU 51 HN LEU 51 -10.739 1.386 1.275
199 HA LEU 51 HA LEU 51 -13.558 1.368 1.529
200 HB2 LEU 51 HB2 LEU 51 -11.440 1.897 3.615
201 HB3 LEU 51 HB1 LEU 51 -13.129 1.570 3.952
202 HG LEU 51 HG LEU 51 -11.240 -0.364 2.607
203 HD11 LEU 51 HD11 LEU 51 -10.618 0.014 4.930
204 HD12 LEU 51 HD12 LEU 51 -11.316 -1.591 4.718
205 HD13 LEU 51 HD13 LEU 51 -12.277 -0.299 5.436
206 HD21 LEU 51 HD21 LEU 51 -13.565 -0.677 1.945
207 HD22 LEU 51 HD22 LEU 51 -14.053 -0.717 3.639
208 HD23 LEU 51 HD23 LEU 51 -13.025 -1.992 2.987
209 H HIS 52 HN HIS 52 -11.223 3.918 1.407
210 HA HIS 52 HA HIS 52 -12.754 5.911 2.727
211 HB2 HIS 52 HB2 HIS 52 -10.295 6.048 2.358
212 HB3 HIS 52 HB1 HIS 52 -10.600 6.300 0.643
213 HD1 HIS 52 HD1 HIS 52 -10.912 7.999 3.973
214 HD2 HIS 52 HD2 HIS 52 -11.399 8.870 -0.060
215 HE1 HIS 52 HE1 HIS 52 -11.163 10.498 3.850
216 HE2 HIS 52 HE2 HIS 52 -11.363 11.010 1.391
217 H PHE 53 HN PHE 53 -12.472 4.895 -0.643
218 HA PHE 53 HA PHE 53 -14.074 7.016 -1.682
219 HB2 PHE 53 HB2 PHE 53 -13.184 4.373 -2.830
220 HB3 PHE 53 HB1 PHE 53 -14.201 5.497 -3.725
221 HD1 PHE 53 HD1 PHE 53 -13.305 7.879 -4.044
222 HD2 PHE 53 HD2 PHE 53 -10.879 4.583 -2.884
223 HE1 PHE 53 HE1 PHE 53 -11.303 9.090 -4.808
224 HE2 PHE 53 HE2 PHE 53 -8.873 5.787 -3.644
225 HZ PHE 53 HZ PHE 53 -9.082 8.044 -4.606
226 H GLY 54 HN GLY 54 -14.819 4.265 0.094
227 HA2 GLY 54 HA2 GLY 54 -16.830 3.360 0.741
228 HA3 GLY 54 HA1 GLY 54 -17.609 4.731 -0.034
229 H VAL 55 HN VAL 55 -15.490 2.676 -1.856
230 HA VAL 55 HA VAL 55 -17.315 2.156 -3.884
231 HB VAL 55 HB VAL 55 -15.782 0.321 -4.578
232 HG11 VAL 55 HG11 VAL 55 -13.837 1.766 -4.987
233 HG12 VAL 55 HG12 VAL 55 -14.462 2.922 -3.811
234 HG13 VAL 55 HG13 VAL 55 -15.358 2.600 -5.295
235 HG21 VAL 55 HG21 VAL 55 -13.705 -0.017 -3.309
236 HG22 VAL 55 HG22 VAL 55 -15.130 -0.484 -2.381
237 HG23 VAL 55 HG23 VAL 55 -14.319 1.044 -2.042
238 H ILE 56 HN ILE 56 -16.870 0.555 -0.837
239 HA ILE 56 HA ILE 56 -18.452 -1.748 -1.665
240 HB ILE 56 HB ILE 56 -17.339 -1.162 1.078
241 HG12 ILE 56 HG12 ILE 56 -15.504 -1.238 -0.527
242 HG13 ILE 56 HG11 ILE 56 -15.495 -2.694 0.460
243 HG21 ILE 56 HG21 ILE 56 -19.124 -2.800 1.075
244 HG22 ILE 56 HG22 ILE 56 -17.581 -3.591 1.393
245 HG23 ILE 56 HG23 ILE 56 -18.319 -3.709 -0.205
246 HD11 ILE 56 HD11 ILE 56 -15.022 -3.267 -1.818
247 HD12 ILE 56 HD12 ILE 56 -16.477 -2.439 -2.372
248 HD13 ILE 56 HD13 ILE 56 -16.612 -3.897 -1.388
249 H GLY 57 HN GLY 57 -20.576 -1.648 -1.616
250 HA2 GLY 57 HA2 GLY 57 -22.148 -1.115 0.591
251 HA3 GLY 57 HA1 GLY 57 -22.021 0.411 -0.272
252 HA PRO 58 HA PRO 58 -25.145 -0.994 -3.073
253 HB2 PRO 58 HB2 PRO 58 -24.479 0.099 -5.422
254 HB3 PRO 58 HB1 PRO 58 -24.911 1.106 -4.035
255 HG2 PRO 58 HG2 PRO 58 -22.202 0.424 -5.110
256 HG3 PRO 58 HG1 PRO 58 -22.816 1.984 -4.536
257 HD2 PRO 58 HD2 PRO 58 -21.263 0.290 -3.030
258 HD3 PRO 58 HD1 PRO 58 -22.392 1.476 -2.345
259 H GLN 59 HN GLN 59 -22.319 -2.472 -3.005
260 HA GLN 59 HA GLN 59 -21.862 -3.691 -5.451
261 HB2 GLN 59 HB2 GLN 59 -20.365 -3.823 -3.494
262 HB3 GLN 59 HB1 GLN 59 -21.517 -4.881 -2.694
263 HG2 GLN 59 HG2 GLN 59 -19.713 -6.167 -3.610
264 HG3 GLN 59 HG1 GLN 59 -21.204 -6.541 -4.471
265 HE21 GLN 59 HE21 GLN 59 -18.074 -5.058 -4.658
266 HE22 GLN 59 HE22 GLN 59 -18.039 -4.864 -6.374
267 H ARG 60 HN ARG 60 -22.780 -5.320 -6.568
268 HA ARG 60 HA ARG 60 -24.751 -7.035 -5.272
269 HB2 ARG 60 HB2 ARG 60 -26.326 -6.667 -7.220
270 HB3 ARG 60 HB1 ARG 60 -26.193 -5.338 -6.077
271 HG2 ARG 60 HG2 ARG 60 -24.644 -4.200 -7.618
272 HG3 ARG 60 HG1 ARG 60 -24.866 -5.515 -8.775
273 HD2 ARG 60 HD2 ARG 60 -27.298 -5.020 -8.789
274 HD3 ARG 60 HD1 ARG 60 -26.986 -3.636 -7.742
275 HE ARG 60 HE ARG 60 -25.350 -3.384 -9.980
276 HH11 ARG 60 HH11 ARG 60 -28.750 -3.380 -9.212
277 HH12 ARG 60 HH12 ARG 60 -29.177 -2.338 -10.529
278 HH21 ARG 60 HH21 ARG 60 -25.904 -2.017 -11.717
279 HH22 ARG 60 HH22 ARG 60 -27.560 -1.566 -11.954
Start of MODEL 9
1 H1 ARG 28 HT1 ARG 28 26.297 -0.039 2.346
2 H2 ARG 28 HT2 ARG 28 27.127 0.942 3.445
3 H3 ARG 28 HT3 ARG 28 26.576 1.591 1.984
4 HA ARG 28 HA ARG 28 24.861 0.554 4.162
5 HB2 ARG 28 HB2 ARG 28 24.202 2.957 4.406
6 HB3 ARG 28 HB1 ARG 28 25.860 2.616 4.870
7 HG2 ARG 28 HG2 ARG 28 26.129 4.545 3.674
8 HG3 ARG 28 HG1 ARG 28 26.391 3.339 2.416
9 HD2 ARG 28 HD2 ARG 28 24.083 3.600 1.668
10 HD3 ARG 28 HD1 ARG 28 23.783 4.772 2.950
11 HE ARG 28 HE ARG 28 25.934 5.415 1.113
12 HH11 ARG 28 HH11 ARG 28 22.574 5.814 1.950
13 HH12 ARG 28 HH12 ARG 28 22.390 7.277 1.041
14 HH21 ARG 28 HH21 ARG 28 25.699 7.341 -0.083
15 HH22 ARG 28 HH22 ARG 28 24.165 8.146 -0.111
16 H ARG 29 HN ARG 29 22.632 0.722 3.805
17 HA ARG 29 HA ARG 29 21.829 0.442 1.074
18 HB2 ARG 29 HB2 ARG 29 20.212 0.639 3.623
19 HB3 ARG 29 HB1 ARG 29 19.527 0.288 2.043
20 HG2 ARG 29 HG2 ARG 29 21.621 -1.400 3.392
21 HG3 ARG 29 HG1 ARG 29 19.886 -1.713 3.465
22 HD2 ARG 29 HD2 ARG 29 21.605 -1.661 0.987
23 HD3 ARG 29 HD1 ARG 29 20.903 -3.088 1.751
24 HE ARG 29 HE ARG 29 19.008 -1.064 0.916
25 HH11 ARG 29 HH11 ARG 29 20.694 -4.002 0.093
26 HH12 ARG 29 HH12 ARG 29 19.548 -4.471 -1.117
27 HH21 ARG 29 HH21 ARG 29 17.494 -1.675 -0.675
28 HH22 ARG 29 HH22 ARG 29 17.730 -3.148 -1.556
29 H CYS 30 HN CYS 30 21.404 2.054 -0.276
30 HA CYS 30 HA CYS 30 21.251 4.752 0.702
31 HB2 CYS 30 HB2 CYS 30 22.389 3.835 -1.470
32 HB3 CYS 30 HB1 CYS 30 20.780 3.999 -2.162
33 HG CYS 30 HG CYS 30 21.237 6.811 -0.726
34 H LEU 31 HN LEU 31 19.529 5.651 -1.516
35 HA LEU 31 HA LEU 31 17.147 5.984 -0.161
36 HB2 LEU 31 HB2 LEU 31 17.881 6.198 -3.060
37 HB3 LEU 31 HB1 LEU 31 16.231 6.471 -2.534
38 HG LEU 31 HG LEU 31 17.551 8.558 -2.804
39 HD11 LEU 31 HD11 LEU 31 16.638 7.966 0.007
40 HD12 LEU 31 HD12 LEU 31 15.618 8.503 -1.329
41 HD13 LEU 31 HD13 LEU 31 16.867 9.571 -0.689
42 HD21 LEU 31 HD21 LEU 31 19.129 7.475 -0.467
43 HD22 LEU 31 HD22 LEU 31 19.234 9.119 -1.100
44 HD23 LEU 31 HD23 LEU 31 19.733 7.755 -2.101
45 H PHE 32 HN PHE 32 18.216 3.266 -1.999
46 HA PHE 32 HA PHE 32 15.786 2.115 -2.758
47 HB2 PHE 32 HB2 PHE 32 18.301 0.703 -1.833
48 HB3 PHE 32 HB1 PHE 32 16.990 -0.032 -2.748
49 HD1 PHE 32 HD1 PHE 32 16.632 0.564 -5.099
50 HD2 PHE 32 HD2 PHE 32 19.929 2.091 -2.883
51 HE1 PHE 32 HE1 PHE 32 17.740 1.211 -7.199
52 HE2 PHE 32 HE2 PHE 32 21.041 2.742 -4.978
53 HZ PHE 32 HZ PHE 32 19.947 2.302 -7.139
54 H LEU 33 HN LEU 33 17.146 2.647 0.295
55 HA LEU 33 HA LEU 33 16.228 0.637 1.925
56 HB2 LEU 33 HB2 LEU 33 17.607 2.763 2.448
57 HB3 LEU 33 HB1 LEU 33 16.053 3.533 2.711
58 HG LEU 33 HG LEU 33 15.612 1.620 4.385
59 HD11 LEU 33 HD11 LEU 33 17.443 0.179 3.751
60 HD12 LEU 33 HD12 LEU 33 17.668 0.726 5.413
61 HD13 LEU 33 HD13 LEU 33 18.608 1.455 4.109
62 HD21 LEU 33 HD21 LEU 33 16.758 2.857 6.163
63 HD22 LEU 33 HD22 LEU 33 15.945 3.941 5.034
64 HD23 LEU 33 HD23 LEU 33 17.694 3.729 4.949
65 H SER 34 HN SER 34 14.516 3.668 1.150
66 HA SER 34 HA SER 34 12.080 2.801 2.371
67 HB2 SER 34 HB2 SER 34 12.647 5.121 0.510
68 HB3 SER 34 HB1 SER 34 11.126 4.867 1.366
69 HG SER 34 HG SER 34 13.515 5.843 2.282
70 H LEU 35 HN LEU 35 13.451 2.637 -0.820
71 HA LEU 35 HA LEU 35 11.130 2.230 -2.332
72 HB2 LEU 35 HB2 LEU 35 13.403 2.662 -3.251
73 HB3 LEU 35 HB1 LEU 35 13.869 1.037 -2.788
74 HG LEU 35 HG LEU 35 13.237 1.523 -5.248
75 HD11 LEU 35 HD11 LEU 35 13.573 -0.692 -3.961
76 HD12 LEU 35 HD12 LEU 35 12.793 -0.718 -5.544
77 HD13 LEU 35 HD13 LEU 35 11.818 -0.829 -4.079
78 HD21 LEU 35 HD21 LEU 35 10.900 1.243 -5.796
79 HD22 LEU 35 HD22 LEU 35 11.097 2.641 -4.741
80 HD23 LEU 35 HD23 LEU 35 10.480 1.124 -4.088
81 H PHE 36 HN PHE 36 12.957 0.103 -0.264
82 HA PHE 36 HA PHE 36 11.776 -2.330 -1.177
83 HB2 PHE 36 HB2 PHE 36 13.938 -2.370 -0.078
84 HB3 PHE 36 HB1 PHE 36 13.251 -1.655 1.376
85 HD1 PHE 36 HD1 PHE 36 13.089 -4.670 -0.785
86 HD2 PHE 36 HD2 PHE 36 12.410 -3.003 3.070
87 HE1 PHE 36 HE1 PHE 36 12.642 -6.921 0.105
88 HE2 PHE 36 HE2 PHE 36 11.962 -5.248 3.968
89 HZ PHE 36 HZ PHE 36 12.078 -7.211 2.485
90 H SER 37 HN SER 37 11.031 0.005 1.343
91 HA SER 37 HA SER 37 8.889 -1.648 2.403
92 HB2 SER 37 HB2 SER 37 10.241 -0.349 3.976
93 HB3 SER 37 HB1 SER 37 9.789 1.144 3.154
94 HG SER 37 HG SER 37 7.598 -0.280 3.838
95 H PHE 38 HN PHE 38 9.245 0.380 -0.181
96 HA PHE 38 HA PHE 38 6.734 1.764 -0.051
97 HB2 PHE 38 HB2 PHE 38 8.733 2.597 -1.318
98 HB3 PHE 38 HB1 PHE 38 8.486 1.291 -2.472
99 HD1 PHE 38 HD1 PHE 38 6.859 1.450 -4.172
100 HD2 PHE 38 HD2 PHE 38 7.004 4.372 -1.082
101 HE1 PHE 38 HE1 PHE 38 5.288 2.860 -5.437
102 HE2 PHE 38 HE2 PHE 38 5.432 5.787 -2.340
103 HZ PHE 38 HZ PHE 38 4.583 5.041 -4.523
104 H LEU 39 HN LEU 39 7.917 -1.228 -1.432
105 HA LEU 39 HA LEU 39 5.548 -1.746 -2.967
106 HB2 LEU 39 HB2 LEU 39 7.999 -3.313 -2.259
107 HB3 LEU 39 HB1 LEU 39 6.619 -4.135 -2.962
108 HG LEU 39 HG LEU 39 8.136 -3.661 -4.722
109 HD11 LEU 39 HD11 LEU 39 5.785 -3.264 -5.269
110 HD12 LEU 39 HD12 LEU 39 6.855 -2.206 -6.188
111 HD13 LEU 39 HD13 LEU 39 5.964 -1.572 -4.805
112 HD21 LEU 39 HD21 LEU 39 9.282 -1.687 -5.039
113 HD22 LEU 39 HD22 LEU 39 9.211 -1.811 -3.278
114 HD23 LEU 39 HD23 LEU 39 8.103 -0.737 -4.133
115 H ILE 40 HN ILE 40 6.696 -2.484 0.245
116 HA ILE 40 HA ILE 40 4.701 -4.474 0.791
117 HB ILE 40 HB ILE 40 6.428 -2.919 2.724
118 HG12 ILE 40 HG12 ILE 40 6.822 -5.705 1.614
119 HG13 ILE 40 HG11 ILE 40 7.673 -4.279 1.026
120 HG21 ILE 40 HG21 ILE 40 4.872 -5.475 3.104
121 HG22 ILE 40 HG22 ILE 40 4.447 -3.898 3.773
122 HG23 ILE 40 HG23 ILE 40 5.920 -4.712 4.299
123 HD11 ILE 40 HD11 ILE 40 9.053 -5.563 2.551
124 HD12 ILE 40 HD12 ILE 40 7.828 -5.411 3.811
125 HD13 ILE 40 HD13 ILE 40 8.678 -3.978 3.231
126 H VAL 41 HN VAL 41 5.181 -1.078 1.732
127 HA VAL 41 HA VAL 41 2.828 -0.846 3.260
128 HB VAL 41 HB VAL 41 4.817 0.757 3.209
129 HG11 VAL 41 HG11 VAL 41 4.744 2.606 1.670
130 HG12 VAL 41 HG12 VAL 41 3.275 1.976 0.923
131 HG13 VAL 41 HG13 VAL 41 4.797 1.099 0.756
132 HG21 VAL 41 HG21 VAL 41 3.422 2.682 3.818
133 HG22 VAL 41 HG22 VAL 41 2.815 1.182 4.519
134 HG23 VAL 41 HG23 VAL 41 2.020 1.881 3.109
135 H ALA 42 HN ALA 42 3.375 -0.876 -0.137
136 HA ALA 42 HA ALA 42 1.216 0.618 -1.083
137 HB1 ALA 42 HB1 ALA 42 2.444 -1.848 -2.314
138 HB2 ALA 42 HB2 ALA 42 3.023 -0.194 -2.516
139 HB3 ALA 42 HB3 ALA 42 1.443 -0.659 -3.149
140 H GLY 43 HN GLY 43 1.354 -2.622 0.222
141 HA2 GLY 43 HA2 GLY 43 -1.291 -3.349 -0.660
142 HA3 GLY 43 HA1 GLY 43 -0.272 -4.256 0.449
143 H ALA 44 HN ALA 44 0.066 -1.755 2.102
144 HA ALA 44 HA ALA 44 -2.250 -2.199 3.776
145 HB1 ALA 44 HB1 ALA 44 -1.090 -0.789 5.397
146 HB2 ALA 44 HB2 ALA 44 0.135 -0.400 4.188
147 HB3 ALA 44 HB3 ALA 44 -0.029 -2.055 4.778
148 H THR 45 HN THR 45 -0.856 0.451 1.900
149 HA THR 45 HA THR 45 -2.629 2.474 2.700
150 HB THR 45 HB THR 45 -1.968 3.656 0.649
151 HG1 THR 45 HG1 THR 45 -1.648 1.232 -0.315
152 HG21 THR 45 HG21 THR 45 -0.448 3.704 2.563
153 HG22 THR 45 HG22 THR 45 0.455 3.713 1.048
154 HG23 THR 45 HG23 THR 45 0.333 2.229 1.993
155 H THR 46 HN THR 46 -3.028 -0.208 0.573
156 HA THR 46 HA THR 46 -5.159 0.799 -1.007
157 HB THR 46 HB THR 46 -4.509 -2.075 -0.321
158 HG1 THR 46 HG1 THR 46 -3.473 -0.238 -2.164
159 HG21 THR 46 HG21 THR 46 -6.155 -0.898 -2.566
160 HG22 THR 46 HG22 THR 46 -6.770 -1.832 -1.202
161 HG23 THR 46 HG23 THR 46 -5.724 -2.600 -2.397
162 H LEU 47 HN LEU 47 -5.044 -1.078 1.993
163 HA LEU 47 HA LEU 47 -7.781 -1.584 2.257
164 HB2 LEU 47 HB2 LEU 47 -6.019 -2.677 3.585
165 HB3 LEU 47 HB1 LEU 47 -5.729 -1.171 4.432
166 HG LEU 47 HG LEU 47 -8.494 -2.250 4.527
167 HD11 LEU 47 HD11 LEU 47 -6.190 -3.461 6.047
168 HD12 LEU 47 HD12 LEU 47 -7.204 -4.270 4.852
169 HD13 LEU 47 HD13 LEU 47 -7.896 -3.747 6.387
170 HD21 LEU 47 HD21 LEU 47 -7.913 -0.155 5.637
171 HD22 LEU 47 HD22 LEU 47 -6.664 -0.984 6.565
172 HD23 LEU 47 HD23 LEU 47 -8.362 -1.391 6.814
173 H PHE 48 HN PHE 48 -5.893 1.267 3.013
174 HA PHE 48 HA PHE 48 -8.018 2.532 4.495
175 HB2 PHE 48 HB2 PHE 48 -5.324 3.468 3.521
176 HB3 PHE 48 HB1 PHE 48 -6.462 4.554 4.309
177 HD1 PHE 48 HD1 PHE 48 -4.003 1.969 4.759
178 HD2 PHE 48 HD2 PHE 48 -7.166 4.089 6.662
179 HE1 PHE 48 HE1 PHE 48 -3.174 1.229 6.954
180 HE2 PHE 48 HE2 PHE 48 -6.341 3.353 8.861
181 HZ PHE 48 HZ PHE 48 -4.344 1.930 9.012
182 H CYS 49 HN CYS 49 -6.418 3.185 1.378
183 HA CYS 49 HA CYS 49 -8.130 5.252 0.570
184 HB2 CYS 49 HB2 CYS 49 -6.524 3.323 -1.115
185 HB3 CYS 49 HB1 CYS 49 -7.263 4.806 -1.710
186 HG CYS 49 HG CYS 49 -5.698 6.485 -0.099
187 H LEU 50 HN LEU 50 -8.567 1.831 0.587
188 HA LEU 50 HA LEU 50 -10.377 1.433 -1.473
189 HB2 LEU 50 HB2 LEU 50 -9.302 -0.175 0.346
190 HB3 LEU 50 HB1 LEU 50 -10.860 0.052 1.117
191 HG LEU 50 HG LEU 50 -11.877 -0.674 -1.118
192 HD11 LEU 50 HD11 LEU 50 -8.993 -1.409 -1.523
193 HD12 LEU 50 HD12 LEU 50 -10.045 -0.477 -2.588
194 HD13 LEU 50 HD13 LEU 50 -10.309 -2.209 -2.385
195 HD21 LEU 50 HD21 LEU 50 -10.260 -2.641 0.500
196 HD22 LEU 50 HD22 LEU 50 -11.602 -3.045 -0.571
197 HD23 LEU 50 HD23 LEU 50 -11.888 -2.076 0.875
198 H LEU 51 HN LEU 51 -10.961 2.608 1.809
199 HA LEU 51 HA LEU 51 -13.774 2.604 1.693
200 HB2 LEU 51 HB2 LEU 51 -11.776 4.111 3.351
201 HB3 LEU 51 HB1 LEU 51 -13.492 4.436 3.498
202 HG LEU 51 HG LEU 51 -13.851 2.038 4.077
203 HD11 LEU 51 HD11 LEU 51 -11.914 0.693 4.725
204 HD12 LEU 51 HD12 LEU 51 -10.838 1.961 4.138
205 HD13 LEU 51 HD13 LEU 51 -11.881 1.097 3.009
206 HD21 LEU 51 HD21 LEU 51 -13.690 3.721 5.819
207 HD22 LEU 51 HD22 LEU 51 -11.933 3.567 5.830
208 HD23 LEU 51 HD23 LEU 51 -12.940 2.215 6.346
209 H HIS 52 HN HIS 52 -11.382 4.887 0.564
210 HA HIS 52 HA HIS 52 -13.154 7.078 0.195
211 HB2 HIS 52 HB2 HIS 52 -10.466 6.456 -1.040
212 HB3 HIS 52 HB1 HIS 52 -11.325 7.977 -1.265
213 HD1 HIS 52 HD1 HIS 52 -9.314 6.064 1.216
214 HD2 HIS 52 HD2 HIS 52 -11.366 9.670 0.990
215 HE1 HIS 52 HE1 HIS 52 -8.574 7.385 3.223
216 HE2 HIS 52 HE2 HIS 52 -9.887 9.531 3.108
217 H PHE 53 HN PHE 53 -12.787 4.157 -1.469
218 HA PHE 53 HA PHE 53 -13.701 5.214 -4.022
219 HB2 PHE 53 HB2 PHE 53 -12.831 2.500 -3.076
220 HB3 PHE 53 HB1 PHE 53 -13.690 2.686 -4.601
221 HD1 PHE 53 HD1 PHE 53 -12.694 4.237 -6.347
222 HD2 PHE 53 HD2 PHE 53 -10.541 2.884 -2.935
223 HE1 PHE 53 HE1 PHE 53 -10.575 4.799 -7.465
224 HE2 PHE 53 HE2 PHE 53 -8.418 3.442 -4.047
225 HZ PHE 53 HZ PHE 53 -8.440 4.394 -6.330
226 H GLY 54 HN GLY 54 -15.080 4.192 -1.146
227 HA2 GLY 54 HA2 GLY 54 -17.259 3.812 -0.527
228 HA3 GLY 54 HA1 GLY 54 -17.724 4.424 -2.108
229 H VAL 55 HN VAL 55 -15.565 1.743 -1.977
230 HA VAL 55 HA VAL 55 -17.471 0.068 -3.336
231 HB VAL 55 HB VAL 55 -15.573 -1.639 -3.186
232 HG11 VAL 55 HG11 VAL 55 -16.043 -0.323 -5.187
233 HG12 VAL 55 HG12 VAL 55 -14.307 -0.538 -4.967
234 HG13 VAL 55 HG13 VAL 55 -15.064 1.001 -4.556
235 HG21 VAL 55 HG21 VAL 55 -14.132 0.799 -2.149
236 HG22 VAL 55 HG22 VAL 55 -13.344 -0.671 -2.723
237 HG23 VAL 55 HG23 VAL 55 -14.380 -0.727 -1.299
238 H ILE 56 HN ILE 56 -17.555 0.841 -0.304
239 HA ILE 56 HA ILE 56 -17.790 -1.875 0.777
240 HB ILE 56 HB ILE 56 -17.529 0.804 2.127
241 HG12 ILE 56 HG12 ILE 56 -15.586 -0.341 3.218
242 HG13 ILE 56 HG11 ILE 56 -15.886 -1.737 2.190
243 HG21 ILE 56 HG21 ILE 56 -18.231 -1.840 3.392
244 HG22 ILE 56 HG22 ILE 56 -19.219 -0.378 3.367
245 HG23 ILE 56 HG23 ILE 56 -17.712 -0.409 4.282
246 HD11 ILE 56 HD11 ILE 56 -15.357 -0.478 0.225
247 HD12 ILE 56 HD12 ILE 56 -14.060 -0.264 1.402
248 HD13 ILE 56 HD13 ILE 56 -15.249 1.015 1.160
249 H GLY 57 HN GLY 57 -19.559 1.055 0.136
250 HA2 GLY 57 HA2 GLY 57 -21.816 1.443 -0.043
251 HA3 GLY 57 HA1 GLY 57 -22.054 -0.295 0.048
252 HA PRO 58 HA PRO 58 -23.087 1.873 4.176
253 HB2 PRO 58 HB2 PRO 58 -25.570 2.842 3.863
254 HB3 PRO 58 HB1 PRO 58 -24.143 3.784 3.414
255 HG2 PRO 58 HG2 PRO 58 -26.002 2.214 1.673
256 HG3 PRO 58 HG1 PRO 58 -25.286 3.812 1.392
257 HD2 PRO 58 HD2 PRO 58 -24.325 1.483 0.298
258 HD3 PRO 58 HD1 PRO 58 -23.336 2.926 0.589
259 H GLN 59 HN GLN 59 -23.477 0.162 5.435
260 HA GLN 59 HA GLN 59 -25.821 -1.519 4.828
261 HB2 GLN 59 HB2 GLN 59 -24.629 -3.360 5.970
262 HB3 GLN 59 HB1 GLN 59 -23.774 -2.780 4.547
263 HG2 GLN 59 HG2 GLN 59 -22.264 -1.497 5.964
264 HG3 GLN 59 HG1 GLN 59 -23.126 -2.059 7.396
265 HE21 GLN 59 HE21 GLN 59 -22.522 -4.081 4.617
266 HE22 GLN 59 HE22 GLN 59 -21.383 -5.129 5.383
267 H ARG 60 HN ARG 60 -24.472 0.659 7.007
268 HA ARG 60 HA ARG 60 -26.233 -0.290 9.171
269 HB2 ARG 60 HB2 ARG 60 -23.703 1.354 9.348
270 HB3 ARG 60 HB1 ARG 60 -24.749 0.980 10.710
271 HG2 ARG 60 HG2 ARG 60 -23.368 -1.092 9.023
272 HG3 ARG 60 HG1 ARG 60 -22.735 -0.459 10.543
273 HD2 ARG 60 HD2 ARG 60 -24.678 -1.288 11.730
274 HD3 ARG 60 HD1 ARG 60 -25.399 -1.839 10.217
275 HE ARG 60 HE ARG 60 -22.991 -3.119 10.335
276 HH11 ARG 60 HH11 ARG 60 -25.762 -2.894 12.439
277 HH12 ARG 60 HH12 ARG 60 -25.540 -4.475 13.110
278 HH21 ARG 60 HH21 ARG 60 -22.694 -5.200 11.212
279 HH22 ARG 60 HH22 ARG 60 -23.797 -5.788 12.410
Start of MODEL 10
1 H1 ARG 28 HT1 ARG 28 26.244 -4.533 0.888
2 H2 ARG 28 HT2 ARG 28 27.519 -3.780 1.707
3 H3 ARG 28 HT3 ARG 28 26.819 -3.033 0.361
4 HA ARG 28 HA ARG 28 25.425 -3.582 2.917
5 HB2 ARG 28 HB2 ARG 28 25.631 -1.268 3.434
6 HB3 ARG 28 HB1 ARG 28 27.241 -1.812 2.982
7 HG2 ARG 28 HG2 ARG 28 27.218 -0.655 0.982
8 HG3 ARG 28 HG1 ARG 28 25.456 -0.583 0.924
9 HD2 ARG 28 HD2 ARG 28 27.340 1.030 2.623
10 HD3 ARG 28 HD1 ARG 28 26.168 1.605 1.434
11 HE ARG 28 HE ARG 28 24.640 0.349 3.297
12 HH11 ARG 28 HH11 ARG 28 27.049 2.864 3.428
13 HH12 ARG 28 HH12 ARG 28 26.340 3.651 4.797
14 HH21 ARG 28 HH21 ARG 28 23.701 1.378 5.106
15 HH22 ARG 28 HH22 ARG 28 24.440 2.805 5.753
16 H ARG 29 HN ARG 29 23.397 -2.320 3.060
17 HA ARG 29 HA ARG 29 21.991 -2.409 0.503
18 HB2 ARG 29 HB2 ARG 29 20.967 -2.085 3.334
19 HB3 ARG 29 HB1 ARG 29 19.945 -2.151 1.904
20 HG2 ARG 29 HG2 ARG 29 20.782 -4.413 1.430
21 HG3 ARG 29 HG1 ARG 29 21.752 -4.344 2.902
22 HD2 ARG 29 HD2 ARG 29 19.753 -4.142 4.250
23 HD3 ARG 29 HD1 ARG 29 18.751 -4.086 2.801
24 HE ARG 29 HE ARG 29 19.753 -6.418 2.401
25 HH11 ARG 29 HH11 ARG 29 19.024 -5.066 5.528
26 HH12 ARG 29 HH12 ARG 29 18.729 -6.604 6.267
27 HH21 ARG 29 HH21 ARG 29 19.365 -8.448 3.365
28 HH22 ARG 29 HH22 ARG 29 18.919 -8.527 5.037
29 H CYS 30 HN CYS 30 21.756 -0.619 -0.643
30 HA CYS 30 HA CYS 30 22.314 1.945 0.605
31 HB2 CYS 30 HB2 CYS 30 22.421 2.800 -1.707
32 HB3 CYS 30 HB1 CYS 30 23.489 1.422 -1.460
33 HG CYS 30 HG CYS 30 21.156 -0.225 -2.499
34 H LEU 31 HN LEU 31 20.844 3.330 -1.571
35 HA LEU 31 HA LEU 31 18.600 4.126 -0.183
36 HB2 LEU 31 HB2 LEU 31 19.192 4.220 -3.136
37 HB3 LEU 31 HB1 LEU 31 17.797 4.997 -2.418
38 HG LEU 31 HG LEU 31 19.505 6.649 -2.763
39 HD11 LEU 31 HD11 LEU 31 19.342 5.933 0.159
40 HD12 LEU 31 HD12 LEU 31 18.169 6.892 -0.744
41 HD13 LEU 31 HD13 LEU 31 19.806 7.502 -0.500
42 HD21 LEU 31 HD21 LEU 31 21.715 6.527 -1.866
43 HD22 LEU 31 HD22 LEU 31 21.421 5.043 -2.773
44 HD23 LEU 31 HD23 LEU 31 21.349 5.030 -1.009
45 H PHE 32 HN PHE 32 19.036 1.289 -2.081
46 HA PHE 32 HA PHE 32 16.419 0.719 -2.875
47 HB2 PHE 32 HB2 PHE 32 18.342 -0.597 -3.631
48 HB3 PHE 32 HB1 PHE 32 18.607 -1.185 -1.993
49 HD1 PHE 32 HD1 PHE 32 16.392 -1.356 -4.925
50 HD2 PHE 32 HD2 PHE 32 17.320 -2.980 -1.101
51 HE1 PHE 32 HE1 PHE 32 14.912 -3.267 -5.381
52 HE2 PHE 32 HE2 PHE 32 15.842 -4.895 -1.553
53 HZ PHE 32 HZ PHE 32 14.645 -5.049 -3.694
54 H LEU 33 HN LEU 33 17.828 0.866 0.206
55 HA LEU 33 HA LEU 33 16.376 -0.945 1.724
56 HB2 LEU 33 HB2 LEU 33 18.327 0.724 2.307
57 HB3 LEU 33 HB1 LEU 33 17.009 1.777 2.785
58 HG LEU 33 HG LEU 33 16.221 -0.181 4.256
59 HD11 LEU 33 HD11 LEU 33 17.608 -1.909 3.285
60 HD12 LEU 33 HD12 LEU 33 18.027 -1.680 4.984
61 HD13 LEU 33 HD13 LEU 33 19.067 -1.016 3.721
62 HD21 LEU 33 HD21 LEU 33 17.150 1.882 5.147
63 HD22 LEU 33 HD22 LEU 33 18.786 1.280 4.880
64 HD23 LEU 33 HD23 LEU 33 17.739 0.493 6.062
65 H SER 34 HN SER 34 15.611 2.426 0.908
66 HA SER 34 HA SER 34 13.084 2.360 2.265
67 HB2 SER 34 HB2 SER 34 14.372 4.448 2.053
68 HB3 SER 34 HB1 SER 34 14.180 4.386 0.300
69 HG SER 34 HG SER 34 11.770 4.168 1.237
70 H LEU 35 HN LEU 35 14.177 2.006 -1.067
71 HA LEU 35 HA LEU 35 11.737 2.217 -2.390
72 HB2 LEU 35 HB2 LEU 35 13.896 2.088 -3.543
73 HB3 LEU 35 HB1 LEU 35 14.070 0.413 -3.051
74 HG LEU 35 HG LEU 35 11.836 0.065 -4.340
75 HD11 LEU 35 HD11 LEU 35 11.598 1.567 -6.261
76 HD12 LEU 35 HD12 LEU 35 12.870 2.599 -5.605
77 HD13 LEU 35 HD13 LEU 35 11.348 2.413 -4.734
78 HD21 LEU 35 HD21 LEU 35 13.065 -0.659 -6.181
79 HD22 LEU 35 HD22 LEU 35 14.226 -0.692 -4.850
80 HD23 LEU 35 HD23 LEU 35 14.253 0.635 -6.012
81 H PHE 36 HN PHE 36 13.191 -0.520 -0.720
82 HA PHE 36 HA PHE 36 11.160 -2.382 -1.503
83 HB2 PHE 36 HB2 PHE 36 13.477 -3.057 -0.918
84 HB3 PHE 36 HB1 PHE 36 13.174 -2.574 0.747
85 HD1 PHE 36 HD1 PHE 36 12.193 -4.957 -1.897
86 HD2 PHE 36 HD2 PHE 36 12.065 -4.008 2.250
87 HE1 PHE 36 HE1 PHE 36 11.324 -7.208 -1.413
88 HE2 PHE 36 HE2 PHE 36 11.196 -6.257 2.742
89 HZ PHE 36 HZ PHE 36 10.826 -7.861 0.909
90 H SER 37 HN SER 37 11.395 0.058 0.855
91 HA SER 37 HA SER 37 9.564 -1.127 2.741
92 HB2 SER 37 HB2 SER 37 10.613 1.706 2.531
93 HB3 SER 37 HB1 SER 37 9.687 1.058 3.885
94 HG SER 37 HG SER 37 11.991 -0.308 3.098
95 H PHE 38 HN PHE 38 9.399 1.098 0.039
96 HA PHE 38 HA PHE 38 6.823 2.138 0.557
97 HB2 PHE 38 HB2 PHE 38 8.433 1.873 -1.984
98 HB3 PHE 38 HB1 PHE 38 6.846 2.634 -1.944
99 HD1 PHE 38 HD1 PHE 38 10.288 3.201 -1.752
100 HD2 PHE 38 HD2 PHE 38 6.589 4.517 -0.109
101 HE1 PHE 38 HE1 PHE 38 11.334 5.336 -1.118
102 HE2 PHE 38 HE2 PHE 38 7.629 6.653 0.528
103 HZ PHE 38 HZ PHE 38 10.003 7.067 0.024
104 H LEU 39 HN LEU 39 7.936 -0.691 -1.260
105 HA LEU 39 HA LEU 39 5.519 -1.406 -2.436
106 HB2 LEU 39 HB2 LEU 39 7.427 -3.486 -1.460
107 HB3 LEU 39 HB1 LEU 39 6.539 -3.396 -2.962
108 HG LEU 39 HG LEU 39 8.794 -1.516 -2.374
109 HD11 LEU 39 HD11 LEU 39 8.934 -4.178 -3.790
110 HD12 LEU 39 HD12 LEU 39 9.641 -3.814 -2.216
111 HD13 LEU 39 HD13 LEU 39 10.238 -2.997 -3.661
112 HD21 LEU 39 HD21 LEU 39 7.132 -2.286 -4.722
113 HD22 LEU 39 HD22 LEU 39 8.777 -1.694 -4.972
114 HD23 LEU 39 HD23 LEU 39 7.589 -0.680 -4.150
115 H ILE 40 HN ILE 40 6.671 -1.744 0.818
116 HA ILE 40 HA ILE 40 4.831 -3.765 1.639
117 HB ILE 40 HB ILE 40 6.312 -1.752 3.338
118 HG12 ILE 40 HG12 ILE 40 7.063 -4.611 2.699
119 HG13 ILE 40 HG11 ILE 40 7.749 -3.212 1.877
120 HG21 ILE 40 HG21 ILE 40 4.404 -2.799 4.471
121 HG22 ILE 40 HG22 ILE 40 5.943 -3.315 5.163
122 HG23 ILE 40 HG23 ILE 40 5.056 -4.392 4.083
123 HD11 ILE 40 HD11 ILE 40 9.246 -4.015 3.594
124 HD12 ILE 40 HD12 ILE 40 7.978 -3.844 4.810
125 HD13 ILE 40 HD13 ILE 40 8.638 -2.413 4.016
126 H VAL 41 HN VAL 41 4.960 -0.240 2.163
127 HA VAL 41 HA VAL 41 2.437 -0.107 3.450
128 HB VAL 41 HB VAL 41 4.326 1.617 3.549
129 HG11 VAL 41 HG11 VAL 41 4.590 1.869 1.115
130 HG12 VAL 41 HG12 VAL 41 4.292 3.406 1.927
131 HG13 VAL 41 HG13 VAL 41 2.992 2.612 1.036
132 HG21 VAL 41 HG21 VAL 41 2.763 3.464 3.922
133 HG22 VAL 41 HG22 VAL 41 2.155 1.953 4.600
134 HG23 VAL 41 HG23 VAL 41 1.500 2.563 3.080
135 H ALA 42 HN ALA 42 3.404 -0.256 0.153
136 HA ALA 42 HA ALA 42 1.346 1.062 -1.161
137 HB1 ALA 42 HB1 ALA 42 1.855 -0.347 -3.074
138 HB2 ALA 42 HB2 ALA 42 2.732 -1.470 -2.035
139 HB3 ALA 42 HB3 ALA 42 3.341 0.168 -2.276
140 H GLY 43 HN GLY 43 1.359 -2.052 0.426
141 HA2 GLY 43 HA2 GLY 43 -1.166 -2.873 -0.716
142 HA3 GLY 43 HA1 GLY 43 -0.258 -3.718 0.528
143 H ALA 44 HN ALA 44 -0.049 -1.550 2.365
144 HA ALA 44 HA ALA 44 -2.555 -1.824 3.689
145 HB1 ALA 44 HB1 ALA 44 -0.227 -0.021 4.337
146 HB2 ALA 44 HB2 ALA 44 -0.460 -1.668 4.927
147 HB3 ALA 44 HB3 ALA 44 -1.578 -0.390 5.408
148 H THR 45 HN THR 45 -1.253 0.473 1.481
149 HA THR 45 HA THR 45 -2.997 2.640 2.212
150 HB THR 45 HB THR 45 -2.207 3.661 0.058
151 HG1 THR 45 HG1 THR 45 -0.192 1.765 -0.169
152 HG21 THR 45 HG21 THR 45 0.126 3.979 0.820
153 HG22 THR 45 HG22 THR 45 -0.098 2.669 1.979
154 HG23 THR 45 HG23 THR 45 -1.045 4.150 2.126
155 H THR 46 HN THR 46 -3.186 -0.130 0.160
156 HA THR 46 HA THR 46 -5.180 0.819 -1.626
157 HB THR 46 HB THR 46 -4.564 -2.035 -0.834
158 HG1 THR 46 HG1 THR 46 -2.879 -1.824 -2.090
159 HG21 THR 46 HG21 THR 46 -6.753 -1.778 -1.921
160 HG22 THR 46 HG22 THR 46 -5.611 -2.633 -2.958
161 HG23 THR 46 HG23 THR 46 -5.983 -0.936 -3.264
162 H LEU 47 HN LEU 47 -5.319 -1.072 1.376
163 HA LEU 47 HA LEU 47 -8.113 -1.464 1.365
164 HB2 LEU 47 HB2 LEU 47 -6.050 -1.512 3.553
165 HB3 LEU 47 HB1 LEU 47 -7.745 -1.812 3.871
166 HG LEU 47 HG LEU 47 -7.608 -3.695 2.177
167 HD11 LEU 47 HD11 LEU 47 -5.610 -3.086 1.005
168 HD12 LEU 47 HD12 LEU 47 -5.328 -4.619 1.829
169 HD13 LEU 47 HD13 LEU 47 -4.668 -3.125 2.494
170 HD21 LEU 47 HD21 LEU 47 -5.929 -3.868 4.675
171 HD22 LEU 47 HD22 LEU 47 -6.593 -5.238 3.786
172 HD23 LEU 47 HD23 LEU 47 -7.676 -4.091 4.575
173 H PHE 48 HN PHE 48 -6.085 1.166 2.401
174 HA PHE 48 HA PHE 48 -8.130 2.484 3.932
175 HB2 PHE 48 HB2 PHE 48 -5.784 2.797 4.508
176 HB3 PHE 48 HB1 PHE 48 -5.459 3.471 2.915
177 HD1 PHE 48 HD1 PHE 48 -5.892 5.743 2.433
178 HD2 PHE 48 HD2 PHE 48 -7.200 4.053 6.114
179 HE1 PHE 48 HE1 PHE 48 -6.401 7.995 3.283
180 HE2 PHE 48 HE2 PHE 48 -7.710 6.302 6.969
181 HZ PHE 48 HZ PHE 48 -7.305 8.278 5.555
182 H CYS 49 HN CYS 49 -6.812 2.747 0.674
183 HA CYS 49 HA CYS 49 -8.325 5.107 0.040
184 HB2 CYS 49 HB2 CYS 49 -6.177 4.672 -1.048
185 HB3 CYS 49 HB1 CYS 49 -6.820 3.194 -1.755
186 HG CYS 49 HG CYS 49 -6.716 6.063 -3.124
187 H LEU 50 HN LEU 50 -8.869 1.692 -0.106
188 HA LEU 50 HA LEU 50 -10.956 1.802 -2.070
189 HB2 LEU 50 HB2 LEU 50 -9.501 -0.220 -0.679
190 HB3 LEU 50 HB1 LEU 50 -11.216 -0.526 -0.466
191 HG LEU 50 HG LEU 50 -11.434 -0.360 -2.984
192 HD11 LEU 50 HD11 LEU 50 -9.478 0.790 -3.604
193 HD12 LEU 50 HD12 LEU 50 -9.256 -0.863 -4.180
194 HD13 LEU 50 HD13 LEU 50 -8.448 -0.324 -2.707
195 HD21 LEU 50 HD21 LEU 50 -10.640 -2.633 -3.351
196 HD22 LEU 50 HD22 LEU 50 -11.436 -2.495 -1.783
197 HD23 LEU 50 HD23 LEU 50 -9.676 -2.547 -1.877
198 H LEU 51 HN LEU 51 -10.814 1.747 1.456
199 HA LEU 51 HA LEU 51 -13.606 1.453 1.862
200 HB2 LEU 51 HB2 LEU 51 -11.435 2.549 3.646
201 HB3 LEU 51 HB1 LEU 51 -13.091 2.306 4.168
202 HG LEU 51 HG LEU 51 -11.229 0.126 3.216
203 HD11 LEU 51 HD11 LEU 51 -11.208 -0.583 5.550
204 HD12 LEU 51 HD12 LEU 51 -12.191 0.813 5.989
205 HD13 LEU 51 HD13 LEU 51 -10.555 1.046 5.372
206 HD21 LEU 51 HD21 LEU 51 -13.558 -0.372 2.717
207 HD22 LEU 51 HD22 LEU 51 -14.006 -0.012 4.385
208 HD23 LEU 51 HD23 LEU 51 -12.969 -1.393 4.029
209 H HIS 52 HN HIS 52 -11.598 4.157 1.087
210 HA HIS 52 HA HIS 52 -13.309 6.210 2.048
211 HB2 HIS 52 HB2 HIS 52 -10.895 6.531 1.515
212 HB3 HIS 52 HB1 HIS 52 -11.286 6.374 -0.194
213 HD1 HIS 52 HD1 HIS 52 -11.855 8.483 -1.377
214 HD2 HIS 52 HD2 HIS 52 -12.248 8.849 2.743
215 HE1 HIS 52 HE1 HIS 52 -12.372 10.909 -0.965
216 HE2 HIS 52 HE2 HIS 52 -12.688 11.089 1.529
217 H PHE 53 HN PHE 53 -13.179 4.347 -0.904
218 HA PHE 53 HA PHE 53 -15.115 6.056 -2.236
219 HB2 PHE 53 HB2 PHE 53 -13.639 3.562 -3.061
220 HB3 PHE 53 HB1 PHE 53 -14.940 4.238 -4.035
221 HD1 PHE 53 HD1 PHE 53 -11.471 4.329 -3.315
222 HD2 PHE 53 HD2 PHE 53 -14.701 6.694 -4.751
223 HE1 PHE 53 HE1 PHE 53 -9.868 5.864 -4.376
224 HE2 PHE 53 HE2 PHE 53 -13.106 8.235 -5.815
225 HZ PHE 53 HZ PHE 53 -10.686 7.821 -5.629
226 H GLY 54 HN GLY 54 -15.119 3.370 -0.163
227 HA2 GLY 54 HA2 GLY 54 -16.850 2.137 0.711
228 HA3 GLY 54 HA1 GLY 54 -17.953 3.233 -0.110
229 H VAL 55 HN VAL 55 -15.545 1.516 -1.927
230 HA VAL 55 HA VAL 55 -17.337 0.434 -3.752
231 HB VAL 55 HB VAL 55 -15.396 -1.228 -4.225
232 HG11 VAL 55 HG11 VAL 55 -15.886 0.709 -5.602
233 HG12 VAL 55 HG12 VAL 55 -14.143 0.542 -5.388
234 HG13 VAL 55 HG13 VAL 55 -15.032 1.757 -4.470
235 HG21 VAL 55 HG21 VAL 55 -14.042 0.701 -2.339
236 HG22 VAL 55 HG22 VAL 55 -13.224 -0.478 -3.363
237 HG23 VAL 55 HG23 VAL 55 -14.286 -1.024 -2.067
238 H ILE 56 HN ILE 56 -15.580 -1.369 -1.206
239 HA ILE 56 HA ILE 56 -17.621 -3.469 -1.394
240 HB ILE 56 HB ILE 56 -14.850 -3.471 -0.205
241 HG12 ILE 56 HG12 ILE 56 -14.692 -5.478 -1.815
242 HG13 ILE 56 HG11 ILE 56 -16.179 -4.859 -2.525
243 HG21 ILE 56 HG21 ILE 56 -16.965 -5.609 -0.003
244 HG22 ILE 56 HG22 ILE 56 -16.240 -4.703 1.325
245 HG23 ILE 56 HG23 ILE 56 -15.262 -5.837 0.394
246 HD11 ILE 56 HD11 ILE 56 -14.167 -4.158 -3.739
247 HD12 ILE 56 HD12 ILE 56 -13.606 -3.317 -2.294
248 HD13 ILE 56 HD13 ILE 56 -15.082 -2.792 -3.103
249 H GLY 57 HN GLY 57 -19.190 -3.502 0.054
250 HA2 GLY 57 HA2 GLY 57 -18.989 -1.872 2.456
251 HA3 GLY 57 HA1 GLY 57 -20.435 -2.666 1.852
252 HA PRO 58 HA PRO 58 -20.179 -6.209 4.473
253 HB2 PRO 58 HB2 PRO 58 -19.047 -7.905 2.292
254 HB3 PRO 58 HB1 PRO 58 -20.427 -8.210 3.355
255 HG2 PRO 58 HG2 PRO 58 -20.813 -7.473 0.832
256 HG3 PRO 58 HG1 PRO 58 -21.844 -6.839 2.129
257 HD2 PRO 58 HD2 PRO 58 -19.628 -5.505 0.643
258 HD3 PRO 58 HD1 PRO 58 -21.142 -4.821 1.268
259 H GLN 59 HN GLN 59 -17.368 -6.267 2.278
260 HA GLN 59 HA GLN 59 -15.164 -6.663 2.625
261 HB2 GLN 59 HB2 GLN 59 -15.594 -4.490 3.892
262 HB3 GLN 59 HB1 GLN 59 -15.592 -5.465 5.357
263 HG2 GLN 59 HG2 GLN 59 -13.419 -4.721 5.259
264 HG3 GLN 59 HG1 GLN 59 -13.317 -6.311 4.506
265 HE21 GLN 59 HE21 GLN 59 -14.701 -3.523 2.926
266 HE22 GLN 59 HE22 GLN 59 -13.460 -3.337 1.741
267 H ARG 60 HN ARG 60 -15.582 -8.963 2.663
268 HA ARG 60 HA ARG 60 -15.352 -11.063 3.496
269 HB2 ARG 60 HB2 ARG 60 -13.148 -10.225 4.165
270 HB3 ARG 60 HB1 ARG 60 -13.825 -9.624 5.673
271 HG2 ARG 60 HG2 ARG 60 -14.349 -11.901 6.360
272 HG3 ARG 60 HG1 ARG 60 -13.705 -12.516 4.838
273 HD2 ARG 60 HD2 ARG 60 -11.503 -11.625 5.405
274 HD3 ARG 60 HD1 ARG 60 -12.145 -10.988 6.918
275 HE ARG 60 HE ARG 60 -12.691 -13.475 7.344
276 HH11 ARG 60 HH11 ARG 60 -9.895 -12.271 5.647
277 HH12 ARG 60 HH12 ARG 60 -8.894 -13.617 6.080
278 HH21 ARG 60 HH21 ARG 60 -11.380 -15.250 7.916
279 HH22 ARG 60 HH22 ARG 60 -9.739 -15.310 7.368
Start of MODEL 11
1 H1 ARG 28 HT1 ARG 28 25.532 -3.876 5.298
2 H2 ARG 28 HT2 ARG 28 25.817 -3.101 3.822
3 H3 ARG 28 HT3 ARG 28 24.684 -4.354 3.914
4 HA ARG 28 HA ARG 28 23.310 -3.021 5.398
5 HB2 ARG 28 HB2 ARG 28 25.012 -1.623 6.387
6 HB3 ARG 28 HB1 ARG 28 25.429 -0.942 4.821
7 HG2 ARG 28 HG2 ARG 28 22.773 -0.347 4.992
8 HG3 ARG 28 HG1 ARG 28 23.286 -0.224 6.675
9 HD2 ARG 28 HD2 ARG 28 24.765 1.110 4.424
10 HD3 ARG 28 HD1 ARG 28 23.437 1.895 5.278
11 HE ARG 28 HE ARG 28 25.611 0.879 6.919
12 HH11 ARG 28 HH11 ARG 28 24.160 3.605 5.304
13 HH12 ARG 28 HH12 ARG 28 25.006 4.781 6.254
14 HH21 ARG 28 HH21 ARG 28 26.730 2.422 8.172
15 HH22 ARG 28 HH22 ARG 28 26.468 4.109 7.883
16 H ARG 29 HN ARG 29 21.521 -2.433 4.339
17 HA ARG 29 HA ARG 29 21.635 -2.039 1.485
18 HB2 ARG 29 HB2 ARG 29 19.288 -1.966 3.394
19 HB3 ARG 29 HB1 ARG 29 19.167 -1.943 1.641
20 HG2 ARG 29 HG2 ARG 29 20.250 -4.164 1.576
21 HG3 ARG 29 HG1 ARG 29 20.244 -4.183 3.341
22 HD2 ARG 29 HD2 ARG 29 18.358 -5.441 2.465
23 HD3 ARG 29 HD1 ARG 29 17.802 -4.010 3.330
24 HE ARG 29 HE ARG 29 17.969 -3.224 0.715
25 HH11 ARG 29 HH11 ARG 29 16.311 -5.760 2.436
26 HH12 ARG 29 HH12 ARG 29 14.969 -5.802 1.341
27 HH21 ARG 29 HH21 ARG 29 16.205 -3.275 -0.733
28 HH22 ARG 29 HH22 ARG 29 14.910 -4.390 -0.459
29 H CYS 30 HN CYS 30 21.908 -0.126 0.549
30 HA CYS 30 HA CYS 30 21.956 2.280 2.067
31 HB2 CYS 30 HB2 CYS 30 22.515 3.370 -0.059
32 HB3 CYS 30 HB1 CYS 30 23.483 1.922 0.192
33 HG CYS 30 HG CYS 30 22.440 0.439 -1.753
34 H LEU 31 HN LEU 31 20.907 3.936 -0.163
35 HA LEU 31 HA LEU 31 18.465 4.645 0.860
36 HB2 LEU 31 HB2 LEU 31 19.662 4.998 -1.867
37 HB3 LEU 31 HB1 LEU 31 18.065 5.617 -1.497
38 HG LEU 31 HG LEU 31 19.798 7.347 -1.300
39 HD11 LEU 31 HD11 LEU 31 17.761 7.476 0.057
40 HD12 LEU 31 HD12 LEU 31 19.147 8.201 0.871
41 HD13 LEU 31 HD13 LEU 31 18.579 6.602 1.353
42 HD21 LEU 31 HD21 LEU 31 20.885 5.627 0.932
43 HD22 LEU 31 HD22 LEU 31 21.425 7.256 0.524
44 HD23 LEU 31 HD23 LEU 31 21.667 5.935 -0.619
45 H PHE 32 HN PHE 32 19.145 2.033 -1.347
46 HA PHE 32 HA PHE 32 16.641 1.659 -2.504
47 HB2 PHE 32 HB2 PHE 32 18.849 -0.243 -1.770
48 HB3 PHE 32 HB1 PHE 32 17.336 -0.849 -2.436
49 HD1 PHE 32 HD1 PHE 32 16.548 0.310 -4.646
50 HD2 PHE 32 HD2 PHE 32 20.552 0.329 -3.210
51 HE1 PHE 32 HE1 PHE 32 17.358 0.766 -6.924
52 HE2 PHE 32 HE2 PHE 32 21.370 0.789 -5.484
53 HZ PHE 32 HZ PHE 32 19.774 1.009 -7.345
54 H LEU 33 HN LEU 33 17.616 1.342 0.726
55 HA LEU 33 HA LEU 33 15.983 -0.605 1.801
56 HB2 LEU 33 HB2 LEU 33 17.763 0.928 2.893
57 HB3 LEU 33 HB1 LEU 33 16.429 2.032 3.166
58 HG LEU 33 HG LEU 33 15.289 0.006 4.321
59 HD11 LEU 33 HD11 LEU 33 16.844 -1.698 3.617
60 HD12 LEU 33 HD12 LEU 33 16.915 -1.523 5.372
61 HD13 LEU 33 HD13 LEU 33 18.185 -0.827 4.364
62 HD21 LEU 33 HD21 LEU 33 17.656 1.404 5.564
63 HD22 LEU 33 HD22 LEU 33 16.354 0.599 6.442
64 HD23 LEU 33 HD23 LEU 33 16.010 2.031 5.472
65 H SER 34 HN SER 34 15.241 2.818 1.214
66 HA SER 34 HA SER 34 12.612 2.747 2.239
67 HB2 SER 34 HB2 SER 34 13.793 4.614 0.169
68 HB3 SER 34 HB1 SER 34 12.313 4.893 1.085
69 HG SER 34 HG SER 34 14.944 5.165 1.849
70 H LEU 35 HN LEU 35 13.949 2.140 -0.956
71 HA LEU 35 HA LEU 35 11.604 2.156 -2.458
72 HB2 LEU 35 HB2 LEU 35 13.789 2.049 -3.494
73 HB3 LEU 35 HB1 LEU 35 14.089 0.472 -2.789
74 HG LEU 35 HG LEU 35 12.052 -0.318 -4.131
75 HD11 LEU 35 HD11 LEU 35 11.584 0.959 -6.157
76 HD12 LEU 35 HD12 LEU 35 12.667 2.238 -5.607
77 HD13 LEU 35 HD13 LEU 35 11.189 1.889 -4.711
78 HD21 LEU 35 HD21 LEU 35 13.455 -1.021 -5.815
79 HD22 LEU 35 HD22 LEU 35 14.603 -0.593 -4.543
80 HD23 LEU 35 HD23 LEU 35 14.317 0.518 -5.883
81 H PHE 36 HN PHE 36 13.213 -0.643 -0.945
82 HA PHE 36 HA PHE 36 11.210 -2.510 -1.585
83 HB2 PHE 36 HB2 PHE 36 13.576 -3.006 -0.845
84 HB3 PHE 36 HB1 PHE 36 13.060 -2.644 0.798
85 HD1 PHE 36 HD1 PHE 36 12.871 -5.026 -1.960
86 HD2 PHE 36 HD2 PHE 36 11.570 -4.133 1.993
87 HE1 PHE 36 HE1 PHE 36 12.106 -7.349 -1.691
88 HE2 PHE 36 HE2 PHE 36 10.804 -6.454 2.269
89 HZ PHE 36 HZ PHE 36 11.092 -8.074 0.417
90 H SER 37 HN SER 37 11.555 -0.252 1.064
91 HA SER 37 HA SER 37 9.521 -1.426 2.701
92 HB2 SER 37 HB2 SER 37 10.756 1.337 2.780
93 HB3 SER 37 HB1 SER 37 9.713 0.656 4.027
94 HG SER 37 HG SER 37 11.490 -1.141 3.787
95 H PHE 38 HN PHE 38 9.431 0.370 -0.131
96 HA PHE 38 HA PHE 38 6.986 1.802 0.423
97 HB2 PHE 38 HB2 PHE 38 8.662 2.743 -1.108
98 HB3 PHE 38 HB1 PHE 38 8.460 1.366 -2.184
99 HD1 PHE 38 HD1 PHE 38 6.642 1.244 -3.705
100 HD2 PHE 38 HD2 PHE 38 6.838 4.385 -0.839
101 HE1 PHE 38 HE1 PHE 38 4.844 2.435 -4.891
102 HE2 PHE 38 HE2 PHE 38 5.040 5.579 -2.020
103 HZ PHE 38 HZ PHE 38 4.042 4.604 -4.050
104 H LEU 39 HN LEU 39 7.951 -1.138 -1.260
105 HA LEU 39 HA LEU 39 5.479 -1.675 -2.501
106 HB2 LEU 39 HB2 LEU 39 7.775 -3.433 -1.679
107 HB3 LEU 39 HB1 LEU 39 6.344 -4.087 -2.458
108 HG LEU 39 HG LEU 39 6.842 -2.347 -4.312
109 HD11 LEU 39 HD11 LEU 39 8.471 -0.984 -3.404
110 HD12 LEU 39 HD12 LEU 39 9.413 -2.078 -4.421
111 HD13 LEU 39 HD13 LEU 39 9.334 -2.337 -2.675
112 HD21 LEU 39 HD21 LEU 39 7.035 -4.753 -4.623
113 HD22 LEU 39 HD22 LEU 39 8.631 -4.738 -3.872
114 HD23 LEU 39 HD23 LEU 39 8.373 -3.919 -5.412
115 H ILE 40 HN ILE 40 6.601 -2.103 0.751
116 HA ILE 40 HA ILE 40 4.629 -4.022 1.528
117 HB ILE 40 HB ILE 40 6.273 -2.166 3.256
118 HG12 ILE 40 HG12 ILE 40 6.736 -5.079 2.595
119 HG13 ILE 40 HG11 ILE 40 7.572 -3.748 1.801
120 HG21 ILE 40 HG21 ILE 40 5.752 -3.703 5.072
121 HG22 ILE 40 HG22 ILE 40 4.756 -4.669 3.985
122 HG23 ILE 40 HG23 ILE 40 4.276 -3.021 4.390
123 HD11 ILE 40 HD11 ILE 40 7.692 -4.404 4.737
124 HD12 ILE 40 HD12 ILE 40 8.538 -3.078 3.936
125 HD13 ILE 40 HD13 ILE 40 8.941 -4.750 3.540
126 H VAL 41 HN VAL 41 5.009 -0.530 2.160
127 HA VAL 41 HA VAL 41 2.552 -0.213 3.494
128 HB VAL 41 HB VAL 41 4.526 1.417 3.441
129 HG11 VAL 41 HG11 VAL 41 4.503 3.147 1.762
130 HG12 VAL 41 HG12 VAL 41 3.105 2.413 0.975
131 HG13 VAL 41 HG13 VAL 41 4.657 1.575 0.978
132 HG21 VAL 41 HG21 VAL 41 1.711 2.449 3.102
133 HG22 VAL 41 HG22 VAL 41 3.053 3.365 3.789
134 HG23 VAL 41 HG23 VAL 41 2.463 1.917 4.606
135 H ALA 42 HN ALA 42 3.329 -0.512 0.157
136 HA ALA 42 HA ALA 42 1.271 0.879 -1.083
137 HB1 ALA 42 HB1 ALA 42 3.147 -0.149 -2.281
138 HB2 ALA 42 HB2 ALA 42 1.593 -0.614 -2.975
139 HB3 ALA 42 HB3 ALA 42 2.476 -1.746 -1.951
140 H GLY 43 HN GLY 43 1.291 -2.485 0.084
141 HA2 GLY 43 HA2 GLY 43 -1.344 -3.102 -0.712
142 HA3 GLY 43 HA1 GLY 43 -0.425 -3.946 0.526
143 H ALA 44 HN ALA 44 -0.112 -1.352 2.017
144 HA ALA 44 HA ALA 44 -2.519 -1.613 3.581
145 HB1 ALA 44 HB1 ALA 44 -0.159 0.227 3.951
146 HB2 ALA 44 HB2 ALA 44 -0.347 -1.371 4.672
147 HB3 ALA 44 HB3 ALA 44 -1.442 -0.065 5.126
148 H THR 45 HN THR 45 -1.014 0.897 1.582
149 HA THR 45 HA THR 45 -2.849 2.950 2.111
150 HB THR 45 HB THR 45 -2.101 3.932 -0.049
151 HG1 THR 45 HG1 THR 45 -1.790 1.811 -1.074
152 HG21 THR 45 HG21 THR 45 -0.812 4.272 2.020
153 HG22 THR 45 HG22 THR 45 0.225 4.246 0.593
154 HG23 THR 45 HG23 THR 45 0.143 2.836 1.650
155 H THR 46 HN THR 46 -2.932 0.266 -0.146
156 HA THR 46 HA THR 46 -5.066 1.140 -1.752
157 HB THR 46 HB THR 46 -4.365 -1.719 -1.054
158 HG1 THR 46 HG1 THR 46 -2.557 -1.059 -2.014
159 HG21 THR 46 HG21 THR 46 -5.778 -0.563 -3.462
160 HG22 THR 46 HG22 THR 46 -6.557 -1.441 -2.145
161 HG23 THR 46 HG23 THR 46 -5.400 -2.265 -3.193
162 H LEU 47 HN LEU 47 -4.977 -0.683 1.271
163 HA LEU 47 HA LEU 47 -7.696 -1.350 1.428
164 HB2 LEU 47 HB2 LEU 47 -5.577 -1.989 2.899
165 HB3 LEU 47 HB1 LEU 47 -6.173 -0.684 3.905
166 HG LEU 47 HG LEU 47 -6.956 -2.850 4.709
167 HD11 LEU 47 HD11 LEU 47 -8.372 -0.895 5.059
168 HD12 LEU 47 HD12 LEU 47 -9.336 -2.356 4.848
169 HD13 LEU 47 HD13 LEU 47 -9.184 -1.202 3.524
170 HD21 LEU 47 HD21 LEU 47 -8.334 -3.089 2.037
171 HD22 LEU 47 HD22 LEU 47 -8.508 -4.197 3.399
172 HD23 LEU 47 HD23 LEU 47 -6.954 -4.044 2.578
173 H PHE 48 HN PHE 48 -5.925 1.436 2.749
174 HA PHE 48 HA PHE 48 -8.075 2.715 3.984
175 HB2 PHE 48 HB2 PHE 48 -5.491 3.721 2.817
176 HB3 PHE 48 HB1 PHE 48 -6.665 4.837 3.507
177 HD1 PHE 48 HD1 PHE 48 -5.085 1.579 4.438
178 HD2 PHE 48 HD2 PHE 48 -6.273 5.478 5.665
179 HE1 PHE 48 HE1 PHE 48 -4.168 1.149 6.680
180 HE2 PHE 48 HE2 PHE 48 -5.359 5.054 7.909
181 HZ PHE 48 HZ PHE 48 -4.304 2.888 8.419
182 H CYS 49 HN CYS 49 -6.738 3.219 0.723
183 HA CYS 49 HA CYS 49 -8.664 5.102 -0.098
184 HB2 CYS 49 HB2 CYS 49 -7.029 3.191 -1.780
185 HB3 CYS 49 HB1 CYS 49 -7.888 4.604 -2.384
186 HG CYS 49 HG CYS 49 -5.692 5.949 -2.302
187 H LEU 50 HN LEU 50 -8.765 1.662 0.177
188 HA LEU 50 HA LEU 50 -10.876 1.183 -1.675
189 HB2 LEU 50 HB2 LEU 50 -9.150 -0.386 -0.238
190 HB3 LEU 50 HB1 LEU 50 -10.697 -0.700 0.533
191 HG LEU 50 HG LEU 50 -10.402 -2.327 -1.158
192 HD11 LEU 50 HD11 LEU 50 -12.660 -1.403 -0.998
193 HD12 LEU 50 HD12 LEU 50 -12.285 -1.955 -2.630
194 HD13 LEU 50 HD13 LEU 50 -12.256 -0.233 -2.255
195 HD21 LEU 50 HD21 LEU 50 -8.662 -1.026 -2.381
196 HD22 LEU 50 HD22 LEU 50 -9.971 -0.143 -3.167
197 HD23 LEU 50 HD23 LEU 50 -9.809 -1.883 -3.413
198 H LEU 51 HN LEU 51 -10.742 1.990 1.741
199 HA LEU 51 HA LEU 51 -13.560 1.529 2.147
200 HB2 LEU 51 HB2 LEU 51 -11.507 2.870 3.906
201 HB3 LEU 51 HB1 LEU 51 -13.149 2.494 4.388
202 HG LEU 51 HG LEU 51 -11.092 0.434 3.592
203 HD11 LEU 51 HD11 LEU 51 -11.009 -0.104 5.983
204 HD12 LEU 51 HD12 LEU 51 -12.049 1.280 6.320
205 HD13 LEU 51 HD13 LEU 51 -10.437 1.531 5.651
206 HD21 LEU 51 HD21 LEU 51 -13.371 -0.296 3.180
207 HD22 LEU 51 HD22 LEU 51 -13.836 0.169 4.816
208 HD23 LEU 51 HD23 LEU 51 -12.695 -1.153 4.566
209 H HIS 52 HN HIS 52 -11.548 4.161 1.177
210 HA HIS 52 HA HIS 52 -13.390 6.242 1.885
211 HB2 HIS 52 HB2 HIS 52 -10.956 6.233 0.096
212 HB3 HIS 52 HB1 HIS 52 -11.887 7.676 0.481
213 HD1 HIS 52 HD1 HIS 52 -8.861 6.316 1.395
214 HD2 HIS 52 HD2 HIS 52 -12.113 7.616 3.632
215 HE1 HIS 52 HE1 HIS 52 -7.947 6.807 3.686
216 HE2 HIS 52 HE2 HIS 52 -9.940 7.555 5.035
217 H PHE 53 HN PHE 53 -12.502 4.638 -1.173
218 HA PHE 53 HA PHE 53 -14.712 6.040 -2.494
219 HB2 PHE 53 HB2 PHE 53 -12.436 6.045 -3.536
220 HB3 PHE 53 HB1 PHE 53 -12.583 4.305 -3.753
221 HD1 PHE 53 HD1 PHE 53 -14.576 7.381 -4.456
222 HD2 PHE 53 HD2 PHE 53 -13.236 3.583 -5.825
223 HE1 PHE 53 HE1 PHE 53 -15.724 7.755 -6.599
224 HE2 PHE 53 HE2 PHE 53 -14.381 3.948 -7.972
225 HZ PHE 53 HZ PHE 53 -15.627 6.037 -8.361
226 H GLY 54 HN GLY 54 -13.697 2.866 -1.476
227 HA2 GLY 54 HA2 GLY 54 -15.069 1.012 -1.143
228 HA3 GLY 54 HA1 GLY 54 -16.361 1.847 -1.988
229 H VAL 55 HN VAL 55 -14.467 2.406 -4.260
230 HA VAL 55 HA VAL 55 -13.964 1.528 -6.288
231 HB VAL 55 HB VAL 55 -13.414 -0.987 -4.706
232 HG11 VAL 55 HG11 VAL 55 -13.688 -1.505 -7.052
233 HG12 VAL 55 HG12 VAL 55 -11.979 -1.595 -6.624
234 HG13 VAL 55 HG13 VAL 55 -12.597 -0.194 -7.500
235 HG21 VAL 55 HG21 VAL 55 -12.085 0.886 -3.928
236 HG22 VAL 55 HG22 VAL 55 -11.592 1.252 -5.581
237 HG23 VAL 55 HG23 VAL 55 -11.069 -0.249 -4.817
238 H ILE 56 HN ILE 56 -15.265 -1.448 -4.859
239 HA ILE 56 HA ILE 56 -16.872 -1.994 -7.136
240 HB ILE 56 HB ILE 56 -16.846 -3.235 -4.386
241 HG12 ILE 56 HG12 ILE 56 -15.966 -5.191 -5.880
242 HG13 ILE 56 HG11 ILE 56 -15.620 -3.916 -7.042
243 HG21 ILE 56 HG21 ILE 56 -18.410 -4.066 -6.824
244 HG22 ILE 56 HG22 ILE 56 -19.063 -3.525 -5.276
245 HG23 ILE 56 HG23 ILE 56 -18.195 -5.058 -5.382
246 HD11 ILE 56 HD11 ILE 56 -13.708 -4.589 -5.590
247 HD12 ILE 56 HD12 ILE 56 -14.589 -3.911 -4.220
248 HD13 ILE 56 HD13 ILE 56 -14.095 -2.872 -5.555
249 H GLY 57 HN GLY 57 -18.695 -1.029 -7.654
250 HA2 GLY 57 HA2 GLY 57 -20.477 -0.115 -5.480
251 HA3 GLY 57 HA1 GLY 57 -20.220 0.820 -6.946
252 HA PRO 58 HA PRO 58 -24.115 -1.558 -7.637
253 HB2 PRO 58 HB2 PRO 58 -25.140 0.273 -9.395
254 HB3 PRO 58 HB1 PRO 58 -25.362 0.359 -7.645
255 HG2 PRO 58 HG2 PRO 58 -23.402 1.808 -9.380
256 HG3 PRO 58 HG1 PRO 58 -24.361 2.421 -8.020
257 HD2 PRO 58 HD2 PRO 58 -21.759 1.787 -7.753
258 HD3 PRO 58 HD1 PRO 58 -22.928 1.521 -6.442
259 H GLN 59 HN GLN 59 -24.597 -2.911 -9.306
260 HA GLN 59 HA GLN 59 -23.059 -2.594 -11.797
261 HB2 GLN 59 HB2 GLN 59 -23.610 -5.167 -10.309
262 HB3 GLN 59 HB1 GLN 59 -22.843 -5.057 -11.888
263 HG2 GLN 59 HG2 GLN 59 -20.968 -3.875 -10.941
264 HG3 GLN 59 HG1 GLN 59 -21.754 -3.832 -9.363
265 HE21 GLN 59 HE21 GLN 59 -20.075 -4.920 -8.365
266 HE22 GLN 59 HE22 GLN 59 -19.786 -6.607 -8.610
267 H ARG 60 HN ARG 60 -24.665 -1.871 -13.105
268 HA ARG 60 HA ARG 60 -26.853 -3.747 -13.626
269 HB2 ARG 60 HB2 ARG 60 -27.690 -1.934 -12.127
270 HB3 ARG 60 HB1 ARG 60 -27.268 -0.763 -13.368
271 HG2 ARG 60 HG2 ARG 60 -29.606 -1.200 -13.513
272 HG3 ARG 60 HG1 ARG 60 -28.824 -1.933 -14.914
273 HD2 ARG 60 HD2 ARG 60 -30.504 -3.425 -13.957
274 HD3 ARG 60 HD1 ARG 60 -28.887 -4.113 -13.818
275 HE ARG 60 HE ARG 60 -29.761 -2.647 -11.495
276 HH11 ARG 60 HH11 ARG 60 -29.686 -5.744 -13.094
277 HH12 ARG 60 HH12 ARG 60 -29.903 -6.647 -11.633
278 HH21 ARG 60 HH21 ARG 60 -30.042 -3.831 -9.566
279 HH22 ARG 60 HH22 ARG 60 -30.104 -5.561 -9.628
Start of MODEL 12
1 H1 ARG 28 HT1 ARG 28 26.630 -2.404 -3.123
2 H2 ARG 28 HT2 ARG 28 26.221 -3.219 -1.698
3 H3 ARG 28 HT3 ARG 28 27.758 -2.533 -1.868
4 HA ARG 28 HA ARG 28 26.386 -1.185 -0.436
5 HB2 ARG 28 HB2 ARG 28 28.063 -0.029 -1.715
6 HB3 ARG 28 HB1 ARG 28 27.040 -0.013 -3.143
7 HG2 ARG 28 HG2 ARG 28 25.938 1.298 -0.740
8 HG3 ARG 28 HG1 ARG 28 27.325 2.082 -1.498
9 HD2 ARG 28 HD2 ARG 28 24.773 1.296 -2.902
10 HD3 ARG 28 HD1 ARG 28 25.181 2.925 -2.368
11 HE ARG 28 HE ARG 28 27.243 2.000 -4.016
12 HH11 ARG 28 HH11 ARG 28 23.877 2.876 -4.240
13 HH12 ARG 28 HH12 ARG 28 23.988 3.387 -5.891
14 HH21 ARG 28 HH21 ARG 28 27.394 2.673 -6.192
15 HH22 ARG 28 HH22 ARG 28 25.984 3.270 -7.000
16 H ARG 29 HN ARG 29 24.400 -0.631 0.142
17 HA ARG 29 HA ARG 29 22.259 -0.833 -1.858
18 HB2 ARG 29 HB2 ARG 29 20.754 -0.992 0.156
19 HB3 ARG 29 HB1 ARG 29 21.874 -2.330 -0.044
20 HG2 ARG 29 HG2 ARG 29 22.621 -0.034 1.710
21 HG3 ARG 29 HG1 ARG 29 21.505 -1.266 2.300
22 HD2 ARG 29 HD2 ARG 29 24.296 -1.739 1.254
23 HD3 ARG 29 HD1 ARG 29 23.796 -1.784 2.944
24 HE ARG 29 HE ARG 29 22.310 -3.604 1.317
25 HH11 ARG 29 HH11 ARG 29 25.307 -3.161 3.042
26 HH12 ARG 29 HH12 ARG 29 25.582 -4.857 3.256
27 HH21 ARG 29 HH21 ARG 29 22.667 -5.839 1.597
28 HH22 ARG 29 HH22 ARG 29 24.084 -6.378 2.435
29 H CYS 30 HN CYS 30 21.442 0.996 -2.613
30 HA CYS 30 HA CYS 30 21.859 3.460 -1.095
31 HB2 CYS 30 HB2 CYS 30 21.367 4.616 -3.230
32 HB3 CYS 30 HB1 CYS 30 22.718 3.497 -3.363
33 HG CYS 30 HG CYS 30 19.761 3.471 -4.931
34 H LEU 31 HN LEU 31 19.784 4.797 -2.754
35 HA LEU 31 HA LEU 31 17.735 4.991 -0.963
36 HB2 LEU 31 HB2 LEU 31 17.782 5.414 -3.935
37 HB3 LEU 31 HB1 LEU 31 16.336 5.715 -2.994
38 HG LEU 31 HG LEU 31 17.547 7.786 -3.393
39 HD11 LEU 31 HD11 LEU 31 17.725 8.579 -1.099
40 HD12 LEU 31 HD12 LEU 31 17.741 6.915 -0.514
41 HD13 LEU 31 HD13 LEU 31 16.302 7.556 -1.307
42 HD21 LEU 31 HD21 LEU 31 19.797 6.860 -3.631
43 HD22 LEU 31 HD22 LEU 31 19.831 6.493 -1.906
44 HD23 LEU 31 HD23 LEU 31 19.763 8.169 -2.449
45 H PHE 32 HN PHE 32 18.221 2.447 -3.288
46 HA PHE 32 HA PHE 32 15.656 1.446 -3.588
47 HB2 PHE 32 HB2 PHE 32 18.284 -0.033 -3.374
48 HB3 PHE 32 HB1 PHE 32 16.771 -0.806 -3.834
49 HD1 PHE 32 HD1 PHE 32 15.539 1.060 -5.648
50 HD2 PHE 32 HD2 PHE 32 19.647 0.037 -5.220
51 HE1 PHE 32 HE1 PHE 32 15.933 1.678 -7.996
52 HE2 PHE 32 HE2 PHE 32 20.050 0.657 -7.567
53 HZ PHE 32 HZ PHE 32 18.192 1.478 -8.958
54 H LEU 33 HN LEU 33 17.582 1.620 -0.795
55 HA LEU 33 HA LEU 33 16.595 -0.541 0.709
56 HB2 LEU 33 HB2 LEU 33 18.527 1.327 1.074
57 HB3 LEU 33 HB1 LEU 33 17.281 1.948 2.144
58 HG LEU 33 HG LEU 33 17.211 -0.333 3.226
59 HD11 LEU 33 HD11 LEU 33 19.686 -0.690 1.549
60 HD12 LEU 33 HD12 LEU 33 18.210 -1.655 1.493
61 HD13 LEU 33 HD13 LEU 33 19.250 -1.714 2.917
62 HD21 LEU 33 HD21 LEU 33 19.802 1.208 3.342
63 HD22 LEU 33 HD22 LEU 33 19.229 0.063 4.556
64 HD23 LEU 33 HD23 LEU 33 18.340 1.558 4.265
65 H SER 34 HN SER 34 15.637 2.888 0.624
66 HA SER 34 HA SER 34 13.345 2.386 2.317
67 HB2 SER 34 HB2 SER 34 14.194 4.896 0.847
68 HB3 SER 34 HB1 SER 34 12.900 4.797 2.041
69 HG SER 34 HG SER 34 14.451 4.219 3.590
70 H LEU 35 HN LEU 35 14.022 2.007 -0.916
71 HA LEU 35 HA LEU 35 11.437 2.774 -1.952
72 HB2 LEU 35 HB2 LEU 35 13.575 2.941 -3.254
73 HB3 LEU 35 HB1 LEU 35 13.633 1.190 -3.287
74 HG LEU 35 HG LEU 35 12.753 2.442 -5.358
75 HD11 LEU 35 HD11 LEU 35 10.900 0.310 -4.392
76 HD12 LEU 35 HD12 LEU 35 12.606 -0.044 -4.667
77 HD13 LEU 35 HD13 LEU 35 11.602 0.549 -5.994
78 HD21 LEU 35 HD21 LEU 35 11.179 3.894 -4.130
79 HD22 LEU 35 HD22 LEU 35 10.245 2.468 -3.678
80 HD23 LEU 35 HD23 LEU 35 10.385 2.930 -5.374
81 H PHE 36 HN PHE 36 13.084 -0.153 -0.946
82 HA PHE 36 HA PHE 36 11.139 -1.964 -1.982
83 HB2 PHE 36 HB2 PHE 36 13.459 -2.649 -1.511
84 HB3 PHE 36 HB1 PHE 36 13.189 -2.374 0.207
85 HD1 PHE 36 HD1 PHE 36 12.236 -4.479 -2.671
86 HD2 PHE 36 HD2 PHE 36 12.133 -3.997 1.557
87 HE1 PHE 36 HE1 PHE 36 11.445 -6.797 -2.430
88 HE2 PHE 36 HE2 PHE 36 11.343 -6.314 1.806
89 HZ PHE 36 HZ PHE 36 10.988 -7.714 -0.191
90 H SER 37 HN SER 37 11.460 -0.115 0.939
91 HA SER 37 HA SER 37 9.542 -1.630 2.447
92 HB2 SER 37 HB2 SER 37 11.305 -0.384 3.597
93 HB3 SER 37 HB1 SER 37 10.694 1.129 2.929
94 HG SER 37 HG SER 37 9.326 1.188 4.507
95 H PHE 38 HN PHE 38 9.258 0.456 -0.118
96 HA PHE 38 HA PHE 38 6.829 1.784 0.722
97 HB2 PHE 38 HB2 PHE 38 8.462 2.870 -0.810
98 HB3 PHE 38 HB1 PHE 38 8.093 1.652 -2.025
99 HD1 PHE 38 HD1 PHE 38 6.046 1.720 -3.276
100 HD2 PHE 38 HD2 PHE 38 6.829 4.585 -0.228
101 HE1 PHE 38 HE1 PHE 38 4.189 3.106 -4.107
102 HE2 PHE 38 HE2 PHE 38 4.973 5.975 -1.054
103 HZ PHE 38 HZ PHE 38 3.657 5.243 -2.994
104 H LEU 39 HN LEU 39 7.750 -0.954 -1.290
105 HA LEU 39 HA LEU 39 5.210 -1.417 -2.445
106 HB2 LEU 39 HB2 LEU 39 7.615 -3.161 -1.987
107 HB3 LEU 39 HB1 LEU 39 6.151 -3.795 -2.715
108 HG LEU 39 HG LEU 39 6.430 -1.885 -4.429
109 HD11 LEU 39 HD11 LEU 39 9.008 -1.833 -2.944
110 HD12 LEU 39 HD12 LEU 39 8.042 -0.493 -3.567
111 HD13 LEU 39 HD13 LEU 39 8.994 -1.485 -4.675
112 HD21 LEU 39 HD21 LEU 39 8.412 -4.160 -4.358
113 HD22 LEU 39 HD22 LEU 39 7.921 -3.253 -5.789
114 HD23 LEU 39 HD23 LEU 39 6.750 -4.262 -4.938
115 H ILE 40 HN ILE 40 6.441 -1.954 0.695
116 HA ILE 40 HA ILE 40 4.634 -4.094 1.387
117 HB ILE 40 HB ILE 40 6.359 -2.352 3.156
118 HG12 ILE 40 HG12 ILE 40 6.803 -5.201 2.250
119 HG13 ILE 40 HG11 ILE 40 7.555 -3.804 1.486
120 HG21 ILE 40 HG21 ILE 40 4.892 -4.910 3.783
121 HG22 ILE 40 HG22 ILE 40 4.479 -3.303 4.382
122 HG23 ILE 40 HG23 ILE 40 5.995 -4.063 4.867
123 HD11 ILE 40 HD11 ILE 40 7.913 -4.622 4.360
124 HD12 ILE 40 HD12 ILE 40 8.706 -3.270 3.551
125 HD13 ILE 40 HD13 ILE 40 9.055 -4.926 3.052
126 H VAL 41 HN VAL 41 4.962 -0.673 2.338
127 HA VAL 41 HA VAL 41 2.604 -0.541 3.853
128 HB VAL 41 HB VAL 41 4.498 1.149 3.815
129 HG11 VAL 41 HG11 VAL 41 4.607 1.485 1.403
130 HG12 VAL 41 HG12 VAL 41 4.312 3.007 2.245
131 HG13 VAL 41 HG13 VAL 41 2.988 2.184 1.420
132 HG21 VAL 41 HG21 VAL 41 3.003 3.046 4.322
133 HG22 VAL 41 HG22 VAL 41 2.477 1.543 5.080
134 HG23 VAL 41 HG23 VAL 41 1.655 2.139 3.638
135 H ALA 42 HN ALA 42 3.128 -0.563 0.456
136 HA ALA 42 HA ALA 42 0.951 0.842 -0.529
137 HB1 ALA 42 HB1 ALA 42 2.141 -1.687 -1.661
138 HB2 ALA 42 HB2 ALA 42 2.750 -0.054 -1.931
139 HB3 ALA 42 HB3 ALA 42 1.159 -0.514 -2.536
140 H GLY 43 HN GLY 43 1.118 -2.600 0.377
141 HA2 GLY 43 HA2 GLY 43 -1.531 -3.250 -0.287
142 HA3 GLY 43 HA1 GLY 43 -0.534 -4.113 0.874
143 H ALA 44 HN ALA 44 -0.195 -1.696 2.539
144 HA ALA 44 HA ALA 44 -2.608 -2.018 4.097
145 HB1 ALA 44 HB1 ALA 44 -0.116 -0.406 4.628
146 HB2 ALA 44 HB2 ALA 44 -0.469 -2.026 5.230
147 HB3 ALA 44 HB3 ALA 44 -1.433 -0.653 5.772
148 H THR 45 HN THR 45 -1.182 0.400 2.024
149 HA THR 45 HA THR 45 -2.949 2.511 2.891
150 HB THR 45 HB THR 45 -1.998 3.792 0.991
151 HG1 THR 45 HG1 THR 45 -1.528 1.543 -0.085
152 HG21 THR 45 HG21 THR 45 0.323 3.880 1.840
153 HG22 THR 45 HG22 THR 45 0.020 2.405 2.760
154 HG23 THR 45 HG23 THR 45 -0.871 3.879 3.139
155 H THR 46 HN THR 46 -2.985 -0.013 0.540
156 HA THR 46 HA THR 46 -4.873 1.132 -1.255
157 HB THR 46 HB THR 46 -4.257 -1.792 -0.777
158 HG1 THR 46 HG1 THR 46 -2.836 0.207 -1.952
159 HG21 THR 46 HG21 THR 46 -5.108 -2.086 -3.076
160 HG22 THR 46 HG22 THR 46 -5.572 -0.385 -3.106
161 HG23 THR 46 HG23 THR 46 -6.352 -1.491 -1.976
162 H LEU 47 HN LEU 47 -5.153 -1.098 1.491
163 HA LEU 47 HA LEU 47 -7.872 -1.660 1.300
164 HB2 LEU 47 HB2 LEU 47 -6.220 -2.786 2.797
165 HB3 LEU 47 HB1 LEU 47 -6.270 -1.379 3.842
166 HG LEU 47 HG LEU 47 -8.845 -2.745 3.231
167 HD11 LEU 47 HD11 LEU 47 -7.350 -4.605 3.717
168 HD12 LEU 47 HD12 LEU 47 -8.479 -4.343 5.045
169 HD13 LEU 47 HD13 LEU 47 -6.808 -3.797 5.188
170 HD21 LEU 47 HD21 LEU 47 -8.837 -0.717 4.568
171 HD22 LEU 47 HD22 LEU 47 -7.682 -1.438 5.688
172 HD23 LEU 47 HD23 LEU 47 -9.311 -2.100 5.554
173 H PHE 48 HN PHE 48 -6.221 1.137 2.618
174 HA PHE 48 HA PHE 48 -8.567 2.229 3.867
175 HB2 PHE 48 HB2 PHE 48 -5.736 2.975 3.593
176 HB3 PHE 48 HB1 PHE 48 -6.846 4.342 3.626
177 HD1 PHE 48 HD1 PHE 48 -5.765 1.339 5.494
178 HD2 PHE 48 HD2 PHE 48 -7.837 5.052 5.626
179 HE1 PHE 48 HE1 PHE 48 -5.886 1.178 7.946
180 HE2 PHE 48 HE2 PHE 48 -7.962 4.900 8.078
181 HZ PHE 48 HZ PHE 48 -6.986 2.961 9.241
182 H CYS 49 HN CYS 49 -6.590 3.246 1.081
183 HA CYS 49 HA CYS 49 -8.260 5.292 0.199
184 HB2 CYS 49 HB2 CYS 49 -5.971 5.011 -0.608
185 HB3 CYS 49 HB1 CYS 49 -6.426 3.520 -1.427
186 HG CYS 49 HG CYS 49 -6.625 6.635 -2.493
187 H LEU 50 HN LEU 50 -8.618 1.870 -0.086
188 HA LEU 50 HA LEU 50 -10.335 1.840 -2.352
189 HB2 LEU 50 HB2 LEU 50 -9.036 -0.073 -0.964
190 HB3 LEU 50 HB1 LEU 50 -10.650 -0.276 -0.310
191 HG LEU 50 HG LEU 50 -11.447 -0.449 -2.722
192 HD11 LEU 50 HD11 LEU 50 -8.472 -0.548 -3.101
193 HD12 LEU 50 HD12 LEU 50 -9.659 0.444 -3.949
194 HD13 LEU 50 HD13 LEU 50 -9.588 -1.294 -4.247
195 HD21 LEU 50 HD21 LEU 50 -10.823 -2.803 -2.881
196 HD22 LEU 50 HD22 LEU 50 -11.263 -2.375 -1.227
197 HD23 LEU 50 HD23 LEU 50 -9.566 -2.558 -1.668
198 H LEU 51 HN LEU 51 -10.976 1.681 1.147
199 HA LEU 51 HA LEU 51 -13.802 1.664 0.868
200 HB2 LEU 51 HB2 LEU 51 -12.100 2.446 3.238
201 HB3 LEU 51 HB1 LEU 51 -13.825 2.133 3.288
202 HG LEU 51 HG LEU 51 -11.741 0.082 2.533
203 HD11 LEU 51 HD11 LEU 51 -11.512 0.749 4.867
204 HD12 LEU 51 HD12 LEU 51 -12.162 -0.885 4.735
205 HD13 LEU 51 HD13 LEU 51 -13.233 0.460 5.126
206 HD21 LEU 51 HD21 LEU 51 -13.567 -1.514 2.786
207 HD22 LEU 51 HD22 LEU 51 -13.945 -0.317 1.546
208 HD23 LEU 51 HD23 LEU 51 -14.682 -0.195 3.144
209 H HIS 52 HN HIS 52 -11.420 4.183 0.934
210 HA HIS 52 HA HIS 52 -13.374 6.266 1.450
211 HB2 HIS 52 HB2 HIS 52 -10.404 6.275 0.957
212 HB3 HIS 52 HB1 HIS 52 -11.338 7.767 0.994
213 HD1 HIS 52 HD1 HIS 52 -11.435 8.838 3.212
214 HD2 HIS 52 HD2 HIS 52 -10.830 4.739 3.513
215 HE1 HIS 52 HE1 HIS 52 -11.158 8.378 5.668
216 HE2 HIS 52 HE2 HIS 52 -10.690 5.907 5.816
217 H PHE 53 HN PHE 53 -12.624 4.462 -1.183
218 HA PHE 53 HA PHE 53 -12.836 6.653 -3.109
219 HB2 PHE 53 HB2 PHE 53 -11.175 4.733 -3.371
220 HB3 PHE 53 HB1 PHE 53 -12.562 3.718 -3.751
221 HD1 PHE 53 HD1 PHE 53 -10.353 6.355 -4.931
222 HD2 PHE 53 HD2 PHE 53 -13.839 4.073 -5.800
223 HE1 PHE 53 HE1 PHE 53 -10.234 7.073 -7.283
224 HE2 PHE 53 HE2 PHE 53 -13.725 4.786 -8.151
225 HZ PHE 53 HZ PHE 53 -11.905 6.297 -8.893
226 H GLY 54 HN GLY 54 -14.684 4.072 -1.716
227 HA2 GLY 54 HA2 GLY 54 -17.001 3.848 -1.733
228 HA3 GLY 54 HA1 GLY 54 -17.086 5.090 -2.971
229 H VAL 55 HN VAL 55 -14.975 2.346 -3.342
230 HA VAL 55 HA VAL 55 -16.115 1.638 -5.829
231 HB VAL 55 HB VAL 55 -14.692 -0.484 -5.527
232 HG11 VAL 55 HG11 VAL 55 -14.030 1.456 -6.875
233 HG12 VAL 55 HG12 VAL 55 -12.647 0.727 -6.059
234 HG13 VAL 55 HG13 VAL 55 -13.353 2.217 -5.435
235 HG21 VAL 55 HG21 VAL 55 -12.852 -0.119 -3.826
236 HG22 VAL 55 HG22 VAL 55 -14.422 -0.605 -3.193
237 HG23 VAL 55 HG23 VAL 55 -13.911 1.079 -3.084
238 H ILE 56 HN ILE 56 -17.005 0.844 -2.638
239 HA ILE 56 HA ILE 56 -18.230 -1.685 -3.261
240 HB ILE 56 HB ILE 56 -18.367 0.071 -0.816
241 HG12 ILE 56 HG12 ILE 56 -17.205 -1.940 0.200
242 HG13 ILE 56 HG11 ILE 56 -17.031 -2.568 -1.434
243 HG21 ILE 56 HG21 ILE 56 -20.491 -1.022 -0.952
244 HG22 ILE 56 HG22 ILE 56 -19.528 -1.848 0.272
245 HG23 ILE 56 HG23 ILE 56 -19.729 -2.568 -1.325
246 HD11 ILE 56 HD11 ILE 56 -15.004 -1.464 -0.648
247 HD12 ILE 56 HD12 ILE 56 -15.905 0.039 -0.437
248 HD13 ILE 56 HD13 ILE 56 -15.692 -0.644 -2.050
249 H GLY 57 HN GLY 57 -19.754 1.143 -1.803
250 HA2 GLY 57 HA2 GLY 57 -21.759 2.187 -2.220
251 HA3 GLY 57 HA1 GLY 57 -21.613 1.615 -3.875
252 HA PRO 58 HA PRO 58 -25.187 -0.526 -1.658
253 HB2 PRO 58 HB2 PRO 58 -27.082 0.121 -3.511
254 HB3 PRO 58 HB1 PRO 58 -26.730 1.111 -2.091
255 HG2 PRO 58 HG2 PRO 58 -25.798 1.449 -4.913
256 HG3 PRO 58 HG1 PRO 58 -26.363 2.677 -3.766
257 HD2 PRO 58 HD2 PRO 58 -23.742 2.277 -4.268
258 HD3 PRO 58 HD1 PRO 58 -24.334 2.767 -2.668
259 H GLN 59 HN GLN 59 -25.658 -2.597 -2.114
260 HA GLN 59 HA GLN 59 -24.801 -3.650 -4.708
261 HB2 GLN 59 HB2 GLN 59 -25.502 -5.118 -2.160
262 HB3 GLN 59 HB1 GLN 59 -24.841 -5.845 -3.619
263 HG2 GLN 59 HG2 GLN 59 -23.458 -3.818 -1.876
264 HG3 GLN 59 HG1 GLN 59 -23.137 -5.549 -1.908
265 HE21 GLN 59 HE21 GLN 59 -22.762 -2.529 -3.568
266 HE22 GLN 59 HE22 GLN 59 -21.609 -3.076 -4.734
267 H ARG 60 HN ARG 60 -27.190 -2.227 -4.757
268 HA ARG 60 HA ARG 60 -29.064 -4.367 -5.464
269 HB2 ARG 60 HB2 ARG 60 -29.732 -1.945 -3.785
270 HB3 ARG 60 HB1 ARG 60 -30.940 -2.979 -4.534
271 HG2 ARG 60 HG2 ARG 60 -30.218 -4.862 -3.219
272 HG3 ARG 60 HG1 ARG 60 -28.883 -3.922 -2.549
273 HD2 ARG 60 HD2 ARG 60 -31.801 -3.250 -2.199
274 HD3 ARG 60 HD1 ARG 60 -30.826 -4.122 -1.016
275 HE ARG 60 HE ARG 60 -29.395 -2.040 -1.011
276 HH11 ARG 60 HH11 ARG 60 -32.805 -1.968 -1.732
277 HH12 ARG 60 HH12 ARG 60 -33.013 -0.332 -1.200
278 HH21 ARG 60 HH21 ARG 60 -29.661 0.112 -0.311
279 HH22 ARG 60 HH22 ARG 60 -31.226 0.849 -0.394
Start of MODEL 13
1 H1 ARG 28 HT1 ARG 28 26.961 2.333 1.936
2 H2 ARG 28 HT2 ARG 28 26.545 0.897 2.726
3 H3 ARG 28 HT3 ARG 28 27.655 1.959 3.432
4 HA ARG 28 HA ARG 28 25.528 2.139 4.522
5 HB2 ARG 28 HB2 ARG 28 26.936 4.148 4.332
6 HB3 ARG 28 HB1 ARG 28 26.183 4.534 2.790
7 HG2 ARG 28 HG2 ARG 28 24.011 4.327 4.415
8 HG3 ARG 28 HG1 ARG 28 25.223 4.975 5.519
9 HD2 ARG 28 HD2 ARG 28 24.361 6.142 2.873
10 HD3 ARG 28 HD1 ARG 28 24.041 6.796 4.479
11 HE ARG 28 HE ARG 28 26.788 6.607 4.253
12 HH11 ARG 28 HH11 ARG 28 24.197 8.285 2.631
13 HH12 ARG 28 HH12 ARG 28 25.181 9.640 2.187
14 HH21 ARG 28 HH21 ARG 28 28.089 8.388 3.673
15 HH22 ARG 28 HH22 ARG 28 27.394 9.698 2.777
16 H ARG 29 HN ARG 29 23.561 1.317 4.153
17 HA ARG 29 HA ARG 29 22.291 1.150 1.672
18 HB2 ARG 29 HB2 ARG 29 21.107 1.167 4.456
19 HB3 ARG 29 HB1 ARG 29 20.207 0.749 3.003
20 HG2 ARG 29 HG2 ARG 29 21.566 -1.174 2.623
21 HG3 ARG 29 HG1 ARG 29 22.683 -0.701 3.905
22 HD2 ARG 29 HD2 ARG 29 19.776 -1.383 4.322
23 HD3 ARG 29 HD1 ARG 29 21.113 -2.504 4.569
24 HE ARG 29 HE ARG 29 21.530 -0.145 6.067
25 HH11 ARG 29 HH11 ARG 29 19.571 -3.030 6.009
26 HH12 ARG 29 HH12 ARG 29 19.347 -3.065 7.726
27 HH21 ARG 29 HH21 ARG 29 21.241 -0.188 8.328
28 HH22 ARG 29 HH22 ARG 29 20.295 -1.450 9.044
29 H CYS 30 HN CYS 30 21.470 2.692 0.431
30 HA CYS 30 HA CYS 30 20.936 5.301 1.626
31 HB2 CYS 30 HB2 CYS 30 21.269 4.520 -1.275
32 HB3 CYS 30 HB1 CYS 30 21.058 6.162 -0.678
33 HG CYS 30 HG CYS 30 23.578 6.588 -0.561
34 H LEU 31 HN LEU 31 19.403 6.064 -0.788
35 HA LEU 31 HA LEU 31 16.858 6.058 0.198
36 HB2 LEU 31 HB2 LEU 31 17.852 6.202 -2.636
37 HB3 LEU 31 HB1 LEU 31 16.158 6.393 -2.237
38 HG LEU 31 HG LEU 31 17.203 8.563 -2.527
39 HD11 LEU 31 HD11 LEU 31 15.411 8.390 -0.894
40 HD12 LEU 31 HD12 LEU 31 16.602 9.591 -0.393
41 HD13 LEU 31 HD13 LEU 31 16.581 7.999 0.367
42 HD21 LEU 31 HD21 LEU 31 19.021 7.843 -0.229
43 HD22 LEU 31 HD22 LEU 31 18.997 9.356 -1.135
44 HD23 LEU 31 HD23 LEU 31 19.506 7.863 -1.924
45 H PHE 32 HN PHE 32 18.473 3.403 -1.292
46 HA PHE 32 HA PHE 32 16.322 1.962 -2.336
47 HB2 PHE 32 HB2 PHE 32 18.710 1.348 -2.638
48 HB3 PHE 32 HB1 PHE 32 18.767 0.838 -0.954
49 HD1 PHE 32 HD1 PHE 32 17.086 0.157 -4.190
50 HD2 PHE 32 HD2 PHE 32 18.149 -1.323 -0.345
51 HE1 PHE 32 HE1 PHE 32 16.329 -2.089 -4.850
52 HE2 PHE 32 HE2 PHE 32 17.395 -3.573 -0.998
53 HZ PHE 32 HZ PHE 32 16.473 -3.952 -3.256
54 H LEU 33 HN LEU 33 17.100 2.749 0.868
55 HA LEU 33 HA LEU 33 15.935 0.586 2.259
56 HB2 LEU 33 HB2 LEU 33 17.392 2.810 2.932
57 HB3 LEU 33 HB1 LEU 33 15.800 3.220 3.549
58 HG LEU 33 HG LEU 33 15.800 1.055 4.810
59 HD11 LEU 33 HD11 LEU 33 17.981 -0.039 5.150
60 HD12 LEU 33 HD12 LEU 33 18.668 0.989 3.893
61 HD13 LEU 33 HD13 LEU 33 17.405 -0.173 3.488
62 HD21 LEU 33 HD21 LEU 33 17.339 1.841 6.551
63 HD22 LEU 33 HD22 LEU 33 16.349 3.152 5.909
64 HD23 LEU 33 HD23 LEU 33 18.032 2.993 5.409
65 H SER 34 HN SER 34 14.634 3.527 0.871
66 HA SER 34 HA SER 34 12.083 3.287 2.181
67 HB2 SER 34 HB2 SER 34 11.422 5.194 0.785
68 HB3 SER 34 HB1 SER 34 12.980 5.491 1.557
69 HG SER 34 HG SER 34 13.357 4.287 -0.809
70 H LEU 35 HN LEU 35 13.306 2.720 -1.109
71 HA LEU 35 HA LEU 35 10.850 2.003 -2.274
72 HB2 LEU 35 HB2 LEU 35 13.376 0.682 -3.154
73 HB3 LEU 35 HB1 LEU 35 12.061 1.325 -4.117
74 HG LEU 35 HG LEU 35 13.775 3.219 -2.577
75 HD11 LEU 35 HD11 LEU 35 15.187 1.501 -3.820
76 HD12 LEU 35 HD12 LEU 35 15.488 3.207 -4.169
77 HD13 LEU 35 HD13 LEU 35 14.550 2.226 -5.297
78 HD21 LEU 35 HD21 LEU 35 11.755 3.975 -3.794
79 HD22 LEU 35 HD22 LEU 35 12.469 3.377 -5.293
80 HD23 LEU 35 HD23 LEU 35 13.242 4.695 -4.412
81 H PHE 36 HN PHE 36 13.418 -0.000 -0.880
82 HA PHE 36 HA PHE 36 12.173 -2.483 -1.304
83 HB2 PHE 36 HB2 PHE 36 14.611 -2.003 -0.737
84 HB3 PHE 36 HB1 PHE 36 14.089 -1.854 0.940
85 HD1 PHE 36 HD1 PHE 36 14.356 -4.177 -1.913
86 HD2 PHE 36 HD2 PHE 36 13.641 -3.763 2.262
87 HE1 PHE 36 HE1 PHE 36 14.542 -6.615 -1.643
88 HE2 PHE 36 HE2 PHE 36 13.827 -6.201 2.539
89 HZ PHE 36 HZ PHE 36 14.278 -7.631 0.586
90 H SER 37 HN SER 37 11.279 0.017 0.725
91 HA SER 37 HA SER 37 9.793 -1.825 2.482
92 HB2 SER 37 HB2 SER 37 9.770 -0.016 4.167
93 HB3 SER 37 HB1 SER 37 11.415 -0.493 3.747
94 HG SER 37 HG SER 37 11.130 1.790 3.802
95 H PHE 38 HN PHE 38 9.509 0.237 -0.071
96 HA PHE 38 HA PHE 38 6.984 1.452 0.639
97 HB2 PHE 38 HB2 PHE 38 8.590 2.648 -0.798
98 HB3 PHE 38 HB1 PHE 38 8.448 1.380 -2.012
99 HD1 PHE 38 HD1 PHE 38 6.646 1.342 -3.542
100 HD2 PHE 38 HD2 PHE 38 6.644 4.111 -0.310
101 HE1 PHE 38 HE1 PHE 38 4.755 2.536 -4.570
102 HE2 PHE 38 HE2 PHE 38 4.754 5.309 -1.332
103 HZ PHE 38 HZ PHE 38 3.815 4.534 -3.466
104 H LEU 39 HN LEU 39 8.132 -1.186 -1.413
105 HA LEU 39 HA LEU 39 5.697 -1.799 -2.665
106 HB2 LEU 39 HB2 LEU 39 8.178 -3.362 -2.059
107 HB3 LEU 39 HB1 LEU 39 6.781 -4.178 -2.736
108 HG LEU 39 HG LEU 39 6.901 -2.348 -4.572
109 HD11 LEU 39 HD11 LEU 39 8.437 -0.821 -3.752
110 HD12 LEU 39 HD12 LEU 39 9.401 -1.768 -4.888
111 HD13 LEU 39 HD13 LEU 39 9.514 -2.082 -3.154
112 HD21 LEU 39 HD21 LEU 39 9.007 -4.500 -4.376
113 HD22 LEU 39 HD22 LEU 39 8.472 -3.705 -5.857
114 HD23 LEU 39 HD23 LEU 39 7.354 -4.722 -4.949
115 H ILE 40 HN ILE 40 6.669 -2.139 0.561
116 HA ILE 40 HA ILE 40 4.935 -4.355 1.206
117 HB ILE 40 HB ILE 40 6.544 -2.478 2.947
118 HG12 ILE 40 HG12 ILE 40 7.893 -4.500 3.392
119 HG13 ILE 40 HG11 ILE 40 6.883 -5.411 2.277
120 HG21 ILE 40 HG21 ILE 40 4.496 -3.246 4.101
121 HG22 ILE 40 HG22 ILE 40 5.973 -3.869 4.835
122 HG23 ILE 40 HG23 ILE 40 4.992 -4.914 3.808
123 HD11 ILE 40 HD11 ILE 40 9.064 -4.713 1.340
124 HD12 ILE 40 HD12 ILE 40 8.555 -3.033 1.503
125 HD13 ILE 40 HD13 ILE 40 7.680 -4.119 0.423
126 H VAL 41 HN VAL 41 4.992 -0.849 1.815
127 HA VAL 41 HA VAL 41 2.462 -0.831 3.142
128 HB VAL 41 HB VAL 41 4.288 0.906 3.424
129 HG11 VAL 41 HG11 VAL 41 4.281 2.797 1.869
130 HG12 VAL 41 HG12 VAL 41 3.151 1.932 0.826
131 HG13 VAL 41 HG13 VAL 41 4.781 1.302 1.078
132 HG21 VAL 41 HG21 VAL 41 2.695 2.750 3.745
133 HG22 VAL 41 HG22 VAL 41 2.060 1.217 4.345
134 HG23 VAL 41 HG23 VAL 41 1.494 1.863 2.805
135 H ALA 42 HN ALA 42 3.479 -0.761 -0.143
136 HA ALA 42 HA ALA 42 1.453 0.612 -1.425
137 HB1 ALA 42 HB1 ALA 42 1.934 -0.769 -3.379
138 HB2 ALA 42 HB2 ALA 42 2.812 -1.912 -2.362
139 HB3 ALA 42 HB3 ALA 42 3.422 -0.271 -2.573
140 H GLY 43 HN GLY 43 1.418 -2.584 0.002
141 HA2 GLY 43 HA2 GLY 43 -1.158 -3.269 -1.124
142 HA3 GLY 43 HA1 GLY 43 -0.239 -4.215 0.038
143 H ALA 44 HN ALA 44 0.037 -1.747 1.745
144 HA ALA 44 HA ALA 44 -2.357 -2.177 3.286
145 HB1 ALA 44 HB1 ALA 44 -0.177 -1.955 4.379
146 HB2 ALA 44 HB2 ALA 44 -1.311 -0.726 4.941
147 HB3 ALA 44 HB3 ALA 44 -0.049 -0.300 3.784
148 H THR 45 HN THR 45 -1.119 0.261 1.124
149 HA THR 45 HA THR 45 -2.743 2.424 1.883
150 HB THR 45 HB THR 45 -2.339 3.312 -0.388
151 HG1 THR 45 HG1 THR 45 -2.235 1.700 -1.804
152 HG21 THR 45 HG21 THR 45 0.123 2.068 0.844
153 HG22 THR 45 HG22 THR 45 -0.631 3.573 1.369
154 HG23 THR 45 HG23 THR 45 0.085 3.460 -0.237
155 H THR 46 HN THR 46 -3.410 -0.444 0.050
156 HA THR 46 HA THR 46 -5.683 0.408 -1.363
157 HB THR 46 HB THR 46 -5.091 -2.362 -0.299
158 HG1 THR 46 HG1 THR 46 -3.446 -1.862 -1.667
159 HG21 THR 46 HG21 THR 46 -6.897 -1.470 -2.551
160 HG22 THR 46 HG22 THR 46 -7.433 -2.066 -0.980
161 HG23 THR 46 HG23 THR 46 -6.569 -3.138 -2.081
162 H LEU 47 HN LEU 47 -5.274 -0.842 1.908
163 HA LEU 47 HA LEU 47 -7.982 -1.205 2.547
164 HB2 LEU 47 HB2 LEU 47 -5.894 -1.948 3.831
165 HB3 LEU 47 HB1 LEU 47 -5.865 -0.330 4.502
166 HG LEU 47 HG LEU 47 -8.280 -2.108 4.769
167 HD11 LEU 47 HD11 LEU 47 -5.934 -1.900 6.652
168 HD12 LEU 47 HD12 LEU 47 -6.378 -3.315 5.696
169 HD13 LEU 47 HD13 LEU 47 -7.449 -2.745 6.977
170 HD21 LEU 47 HD21 LEU 47 -7.273 0.295 6.288
171 HD22 LEU 47 HD22 LEU 47 -8.671 -0.674 6.753
172 HD23 LEU 47 HD23 LEU 47 -8.686 0.220 5.236
173 H PHE 48 HN PHE 48 -5.852 1.604 2.939
174 HA PHE 48 HA PHE 48 -7.712 3.278 4.220
175 HB2 PHE 48 HB2 PHE 48 -5.283 3.883 2.537
176 HB3 PHE 48 HB1 PHE 48 -6.222 5.137 3.339
177 HD1 PHE 48 HD1 PHE 48 -3.756 2.525 3.735
178 HD2 PHE 48 HD2 PHE 48 -6.331 5.203 5.810
179 HE1 PHE 48 HE1 PHE 48 -2.452 2.178 5.793
180 HE2 PHE 48 HE2 PHE 48 -5.033 4.862 7.871
181 HZ PHE 48 HZ PHE 48 -3.089 3.348 7.865
182 H CYS 49 HN CYS 49 -6.722 3.217 0.792
183 HA CYS 49 HA CYS 49 -8.626 5.097 -0.081
184 HB2 CYS 49 HB2 CYS 49 -7.257 2.898 -1.643
185 HB3 CYS 49 HB1 CYS 49 -8.115 4.264 -2.348
186 HG CYS 49 HG CYS 49 -5.592 5.056 -2.722
187 H LEU 50 HN LEU 50 -8.891 1.733 0.646
188 HA LEU 50 HA LEU 50 -11.006 0.932 -0.958
189 HB2 LEU 50 HB2 LEU 50 -9.567 -0.278 0.942
190 HB3 LEU 50 HB1 LEU 50 -11.017 0.046 1.876
191 HG LEU 50 HG LEU 50 -12.283 -1.108 -0.039
192 HD11 LEU 50 HD11 LEU 50 -9.443 -1.873 -0.656
193 HD12 LEU 50 HD12 LEU 50 -10.641 -1.158 -1.737
194 HD13 LEU 50 HD13 LEU 50 -10.830 -2.825 -1.190
195 HD21 LEU 50 HD21 LEU 50 -11.975 -2.088 2.179
196 HD22 LEU 50 HD22 LEU 50 -10.396 -2.704 1.692
197 HD23 LEU 50 HD23 LEU 50 -11.857 -3.315 0.918
198 H LEU 51 HN LEU 51 -11.074 2.640 2.140
199 HA LEU 51 HA LEU 51 -13.946 2.701 2.246
200 HB2 LEU 51 HB2 LEU 51 -11.957 4.314 3.844
201 HB3 LEU 51 HB1 LEU 51 -13.650 4.074 4.226
202 HG LEU 51 HG LEU 51 -11.565 1.890 4.191
203 HD11 LEU 51 HD11 LEU 51 -11.187 3.481 6.003
204 HD12 LEU 51 HD12 LEU 51 -11.761 1.933 6.620
205 HD13 LEU 51 HD13 LEU 51 -12.865 3.303 6.515
206 HD21 LEU 51 HD21 LEU 51 -13.304 0.549 5.278
207 HD22 LEU 51 HD22 LEU 51 -13.798 1.071 3.668
208 HD23 LEU 51 HD23 LEU 51 -14.443 1.882 5.095
209 H HIS 52 HN HIS 52 -11.445 4.686 0.926
210 HA HIS 52 HA HIS 52 -12.813 7.152 0.845
211 HB2 HIS 52 HB2 HIS 52 -10.362 6.871 0.490
212 HB3 HIS 52 HB1 HIS 52 -10.705 6.146 -1.078
213 HD1 HIS 52 HD1 HIS 52 -10.472 9.403 0.670
214 HD2 HIS 52 HD2 HIS 52 -11.670 7.965 -3.040
215 HE1 HIS 52 HE1 HIS 52 -10.648 11.427 -0.811
216 HE2 HIS 52 HE2 HIS 52 -11.448 10.542 -3.030
217 H PHE 53 HN PHE 53 -12.644 4.449 -1.434
218 HA PHE 53 HA PHE 53 -14.510 5.812 -3.223
219 HB2 PHE 53 HB2 PHE 53 -12.926 3.259 -3.519
220 HB3 PHE 53 HB1 PHE 53 -14.091 3.824 -4.713
221 HD1 PHE 53 HD1 PHE 53 -13.604 5.693 -6.138
222 HD2 PHE 53 HD2 PHE 53 -10.827 4.440 -3.168
223 HE1 PHE 53 HE1 PHE 53 -11.860 7.072 -7.193
224 HE2 PHE 53 HE2 PHE 53 -9.077 5.815 -4.217
225 HZ PHE 53 HZ PHE 53 -9.594 7.134 -6.233
226 H GLY 54 HN GLY 54 -14.510 3.517 -0.716
227 HA2 GLY 54 HA2 GLY 54 -16.204 2.293 0.235
228 HA3 GLY 54 HA1 GLY 54 -17.320 3.226 -0.751
229 H VAL 55 HN VAL 55 -14.767 1.353 -2.198
230 HA VAL 55 HA VAL 55 -16.383 0.011 -3.997
231 HB VAL 55 HB VAL 55 -14.475 -1.629 -4.207
232 HG11 VAL 55 HG11 VAL 55 -14.592 0.360 -5.587
233 HG12 VAL 55 HG12 VAL 55 -12.920 0.048 -5.121
234 HG13 VAL 55 HG13 VAL 55 -13.838 1.317 -4.311
235 HG21 VAL 55 HG21 VAL 55 -13.176 0.165 -2.159
236 HG22 VAL 55 HG22 VAL 55 -12.432 -1.198 -2.995
237 HG23 VAL 55 HG23 VAL 55 -13.742 -1.475 -1.848
238 H ILE 56 HN ILE 56 -15.545 -0.856 -0.703
239 HA ILE 56 HA ILE 56 -17.122 -3.327 -0.986
240 HB ILE 56 HB ILE 56 -15.134 -2.664 1.187
241 HG12 ILE 56 HG12 ILE 56 -14.006 -2.943 -0.970
242 HG13 ILE 56 HG11 ILE 56 -13.656 -4.299 0.095
243 HG21 ILE 56 HG21 ILE 56 -15.326 -5.054 1.745
244 HG22 ILE 56 HG22 ILE 56 -16.591 -5.220 0.528
245 HG23 ILE 56 HG23 ILE 56 -16.852 -4.193 1.938
246 HD11 ILE 56 HD11 ILE 56 -15.646 -4.298 -2.163
247 HD12 ILE 56 HD12 ILE 56 -15.293 -5.658 -1.097
248 HD13 ILE 56 HD13 ILE 56 -14.048 -5.040 -2.181
249 H GLY 57 HN GLY 57 -16.903 -0.273 0.587
250 HA2 GLY 57 HA2 GLY 57 -18.475 0.856 1.843
251 HA3 GLY 57 HA1 GLY 57 -19.556 -0.512 1.628
252 HA PRO 58 HA PRO 58 -18.252 -0.562 6.053
253 HB2 PRO 58 HB2 PRO 58 -20.685 -0.708 7.160
254 HB3 PRO 58 HB1 PRO 58 -20.027 0.831 6.588
255 HG2 PRO 58 HG2 PRO 58 -21.996 -0.997 5.268
256 HG3 PRO 58 HG1 PRO 58 -22.017 0.771 5.385
257 HD2 PRO 58 HD2 PRO 58 -21.153 -0.618 3.177
258 HD3 PRO 58 HD1 PRO 58 -20.619 1.023 3.590
259 H GLN 59 HN GLN 59 -19.221 -2.712 3.871
260 HA GLN 59 HA GLN 59 -20.245 -4.836 5.490
261 HB2 GLN 59 HB2 GLN 59 -18.998 -4.954 2.737
262 HB3 GLN 59 HB1 GLN 59 -19.957 -6.219 3.494
263 HG2 GLN 59 HG2 GLN 59 -20.960 -3.470 2.792
264 HG3 GLN 59 HG1 GLN 59 -21.220 -4.927 1.833
265 HE21 GLN 59 HE21 GLN 59 -22.642 -6.495 2.571
266 HE22 GLN 59 HE22 GLN 59 -23.782 -6.188 3.833
267 H ARG 60 HN ARG 60 -17.214 -3.487 5.239
268 HA ARG 60 HA ARG 60 -16.014 -5.679 6.675
269 HB2 ARG 60 HB2 ARG 60 -15.763 -6.101 4.121
270 HB3 ARG 60 HB1 ARG 60 -14.568 -4.815 4.188
271 HG2 ARG 60 HG2 ARG 60 -14.419 -7.207 5.992
272 HG3 ARG 60 HG1 ARG 60 -13.738 -7.215 4.365
273 HD2 ARG 60 HD2 ARG 60 -12.295 -5.354 4.924
274 HD3 ARG 60 HD1 ARG 60 -13.031 -5.226 6.519
275 HE ARG 60 HE ARG 60 -12.109 -7.767 6.470
276 HH11 ARG 60 HH11 ARG 60 -10.637 -4.680 5.799
277 HH12 ARG 60 HH12 ARG 60 -9.060 -5.176 6.316
278 HH21 ARG 60 HH21 ARG 60 -10.040 -8.425 7.158
279 HH22 ARG 60 HH22 ARG 60 -8.721 -7.305 7.089
Start of MODEL 14
1 H1 ARG 28 HT1 ARG 28 26.320 -4.599 -1.094
2 H2 ARG 28 HT2 ARG 28 25.498 -3.773 -2.320
3 H3 ARG 28 HT3 ARG 28 24.677 -4.903 -1.367
4 HA ARG 28 HA ARG 28 24.925 -3.544 0.575
5 HB2 ARG 28 HB2 ARG 28 27.087 -2.545 -0.023
6 HB3 ARG 28 HB1 ARG 28 26.316 -1.626 -1.307
7 HG2 ARG 28 HG2 ARG 28 25.153 -1.247 1.363
8 HG3 ARG 28 HG1 ARG 28 26.811 -0.676 1.172
9 HD2 ARG 28 HD2 ARG 28 26.099 0.619 -0.810
10 HD3 ARG 28 HD1 ARG 28 24.437 0.098 -0.530
11 HE ARG 28 HE ARG 28 25.150 1.231 1.826
12 HH11 ARG 28 HH11 ARG 28 25.255 2.308 -1.486
13 HH12 ARG 28 HH12 ARG 28 25.033 3.978 -1.084
14 HH21 ARG 28 HH21 ARG 28 24.859 3.425 2.364
15 HH22 ARG 28 HH22 ARG 28 24.807 4.613 1.104
16 H ARG 29 HN ARG 29 22.812 -3.188 0.790
17 HA ARG 29 HA ARG 29 21.085 -2.355 -1.246
18 HB2 ARG 29 HB2 ARG 29 20.729 -2.066 1.745
19 HB3 ARG 29 HB1 ARG 29 19.445 -1.954 0.547
20 HG2 ARG 29 HG2 ARG 29 19.818 -4.278 -0.082
21 HG3 ARG 29 HG1 ARG 29 21.123 -4.394 1.101
22 HD2 ARG 29 HD2 ARG 29 19.526 -3.904 2.895
23 HD3 ARG 29 HD1 ARG 29 18.227 -3.805 1.708
24 HE ARG 29 HE ARG 29 19.355 -6.283 1.350
25 HH11 ARG 29 HH11 ARG 29 17.850 -4.570 3.986
26 HH12 ARG 29 HH12 ARG 29 17.237 -6.005 4.736
27 HH21 ARG 29 HH21 ARG 29 18.546 -8.176 2.330
28 HH22 ARG 29 HH22 ARG 29 17.631 -8.054 3.795
29 H CYS 30 HN CYS 30 20.905 -0.459 -2.208
30 HA CYS 30 HA CYS 30 22.015 1.905 -0.897
31 HB2 CYS 30 HB2 CYS 30 21.244 1.412 -3.780
32 HB3 CYS 30 HB1 CYS 30 21.910 2.922 -3.168
33 HG CYS 30 HG CYS 30 23.461 0.013 -3.842
34 H LEU 31 HN LEU 31 20.464 3.629 -2.768
35 HA LEU 31 HA LEU 31 18.485 4.518 -1.071
36 HB2 LEU 31 HB2 LEU 31 18.812 4.793 -4.048
37 HB3 LEU 31 HB1 LEU 31 17.498 5.571 -3.188
38 HG LEU 31 HG LEU 31 19.322 7.134 -3.572
39 HD11 LEU 31 HD11 LEU 31 19.091 6.353 -0.670
40 HD12 LEU 31 HD12 LEU 31 17.980 7.399 -1.556
41 HD13 LEU 31 HD13 LEU 31 19.646 7.911 -1.284
42 HD21 LEU 31 HD21 LEU 31 21.503 6.836 -2.542
43 HD22 LEU 31 HD22 LEU 31 21.162 5.513 -3.657
44 HD23 LEU 31 HD23 LEU 31 21.014 5.259 -1.918
45 H PHE 32 HN PHE 32 18.378 1.840 -3.249
46 HA PHE 32 HA PHE 32 15.620 1.623 -3.684
47 HB2 PHE 32 HB2 PHE 32 17.692 -0.569 -3.424
48 HB3 PHE 32 HB1 PHE 32 16.069 -0.790 -4.068
49 HD1 PHE 32 HD1 PHE 32 15.422 0.420 -6.168
50 HD2 PHE 32 HD2 PHE 32 19.438 0.237 -4.771
51 HE1 PHE 32 HE1 PHE 32 16.225 1.033 -8.410
52 HE2 PHE 32 HE2 PHE 32 20.248 0.851 -7.010
53 HZ PHE 32 HZ PHE 32 18.642 1.251 -8.834
54 H LEU 33 HN LEU 33 17.463 1.239 -0.868
55 HA LEU 33 HA LEU 33 16.172 -0.658 0.645
56 HB2 LEU 33 HB2 LEU 33 18.201 0.847 1.179
57 HB3 LEU 33 HB1 LEU 33 17.018 1.986 1.792
58 HG LEU 33 HG LEU 33 16.204 0.038 3.275
59 HD11 LEU 33 HD11 LEU 33 17.956 -1.597 3.815
60 HD12 LEU 33 HD12 LEU 33 18.940 -0.962 2.496
61 HD13 LEU 33 HD13 LEU 33 17.397 -1.746 2.149
62 HD21 LEU 33 HD21 LEU 33 17.893 0.565 4.968
63 HD22 LEU 33 HD22 LEU 33 17.342 2.014 4.130
64 HD23 LEU 33 HD23 LEU 33 18.905 1.304 3.727
65 H SER 34 HN SER 34 15.372 2.805 0.435
66 HA SER 34 HA SER 34 13.102 2.680 2.102
67 HB2 SER 34 HB2 SER 34 14.250 4.787 1.630
68 HB3 SER 34 HB1 SER 34 13.791 4.674 -0.068
69 HG SER 34 HG SER 34 11.797 4.591 1.904
70 H LEU 35 HN LEU 35 13.490 2.362 -1.394
71 HA LEU 35 HA LEU 35 10.760 2.414 -2.074
72 HB2 LEU 35 HB2 LEU 35 12.534 2.677 -3.726
73 HB3 LEU 35 HB1 LEU 35 13.064 1.027 -3.451
74 HG LEU 35 HG LEU 35 10.649 0.395 -4.190
75 HD11 LEU 35 HD11 LEU 35 9.788 2.688 -4.217
76 HD12 LEU 35 HD12 LEU 35 9.685 1.932 -5.806
77 HD13 LEU 35 HD13 LEU 35 10.956 3.108 -5.469
78 HD21 LEU 35 HD21 LEU 35 12.476 1.442 -6.323
79 HD22 LEU 35 HD22 LEU 35 11.461 -0.002 -6.343
80 HD23 LEU 35 HD23 LEU 35 12.906 0.050 -5.330
81 H PHE 36 HN PHE 36 12.920 -0.264 -1.247
82 HA PHE 36 HA PHE 36 11.015 -2.317 -1.692
83 HB2 PHE 36 HB2 PHE 36 13.500 -2.639 -1.630
84 HB3 PHE 36 HB1 PHE 36 13.441 -2.405 0.113
85 HD1 PHE 36 HD1 PHE 36 12.154 -4.558 -2.619
86 HD2 PHE 36 HD2 PHE 36 13.005 -4.195 1.535
87 HE1 PHE 36 HE1 PHE 36 11.701 -6.958 -2.321
88 HE2 PHE 36 HE2 PHE 36 12.554 -6.594 1.840
89 HZ PHE 36 HZ PHE 36 11.901 -7.979 -0.089
90 H SER 37 HN SER 37 11.345 -0.003 0.748
91 HA SER 37 HA SER 37 9.982 -1.626 2.760
92 HB2 SER 37 HB2 SER 37 11.876 -0.276 3.522
93 HB3 SER 37 HB1 SER 37 11.093 1.185 2.921
94 HG SER 37 HG SER 37 10.079 1.273 4.745
95 H PHE 38 HN PHE 38 9.436 1.058 0.590
96 HA PHE 38 HA PHE 38 6.879 1.737 1.756
97 HB2 PHE 38 HB2 PHE 38 8.325 3.456 0.697
98 HB3 PHE 38 HB1 PHE 38 8.112 2.651 -0.853
99 HD1 PHE 38 HD1 PHE 38 6.232 3.075 -2.192
100 HD2 PHE 38 HD2 PHE 38 6.314 4.443 1.838
101 HE1 PHE 38 HE1 PHE 38 4.199 4.400 -2.603
102 HE2 PHE 38 HE2 PHE 38 4.282 5.771 1.433
103 HZ PHE 38 HZ PHE 38 3.231 5.762 -0.794
104 H LEU 39 HN LEU 39 8.104 -0.299 -0.770
105 HA LEU 39 HA LEU 39 5.719 -0.589 -2.265
106 HB2 LEU 39 HB2 LEU 39 8.366 -1.693 -2.264
107 HB3 LEU 39 HB1 LEU 39 7.197 -2.993 -2.431
108 HG LEU 39 HG LEU 39 6.181 -1.535 -4.309
109 HD11 LEU 39 HD11 LEU 39 7.228 0.517 -4.077
110 HD12 LEU 39 HD12 LEU 39 8.123 -0.226 -5.405
111 HD13 LEU 39 HD13 LEU 39 8.803 -0.215 -3.775
112 HD21 LEU 39 HD21 LEU 39 7.720 -2.494 -5.941
113 HD22 LEU 39 HD22 LEU 39 7.344 -3.661 -4.673
114 HD23 LEU 39 HD23 LEU 39 8.892 -2.815 -4.663
115 H ILE 40 HN ILE 40 6.765 -1.853 0.752
116 HA ILE 40 HA ILE 40 5.016 -4.133 0.778
117 HB ILE 40 HB ILE 40 6.417 -2.776 3.085
118 HG12 ILE 40 HG12 ILE 40 7.242 -5.250 1.556
119 HG13 ILE 40 HG11 ILE 40 7.913 -3.649 1.260
120 HG21 ILE 40 HG21 ILE 40 6.066 -4.893 4.259
121 HG22 ILE 40 HG22 ILE 40 5.174 -5.514 2.871
122 HG23 ILE 40 HG23 ILE 40 4.533 -4.154 3.794
123 HD11 ILE 40 HD11 ILE 40 8.087 -5.180 3.845
124 HD12 ILE 40 HD12 ILE 40 8.774 -3.586 3.537
125 HD13 ILE 40 HD13 ILE 40 9.379 -4.991 2.660
126 H VAL 41 HN VAL 41 5.041 -0.981 2.439
127 HA VAL 41 HA VAL 41 2.511 -1.317 3.660
128 HB VAL 41 HB VAL 41 4.307 0.341 4.341
129 HG11 VAL 41 HG11 VAL 41 4.300 2.528 3.303
130 HG12 VAL 41 HG12 VAL 41 3.082 2.000 2.142
131 HG13 VAL 41 HG13 VAL 41 4.698 1.291 2.110
132 HG21 VAL 41 HG21 VAL 41 2.070 0.340 5.317
133 HG22 VAL 41 HG22 VAL 41 1.494 1.379 4.013
134 HG23 VAL 41 HG23 VAL 41 2.693 1.982 5.157
135 H ALA 42 HN ALA 42 3.481 -0.427 0.482
136 HA ALA 42 HA ALA 42 1.401 1.162 -0.413
137 HB1 ALA 42 HB1 ALA 42 1.902 0.333 -2.646
138 HB2 ALA 42 HB2 ALA 42 2.801 -1.020 -1.957
139 HB3 ALA 42 HB3 ALA 42 3.390 0.629 -1.746
140 H GLY 43 HN GLY 43 1.461 -2.280 0.214
141 HA2 GLY 43 HA2 GLY 43 -1.040 -2.827 -1.088
142 HA3 GLY 43 HA1 GLY 43 -0.157 -3.912 -0.023
143 H ALA 44 HN ALA 44 -0.017 -2.073 2.192
144 HA ALA 44 HA ALA 44 -2.520 -2.669 3.415
145 HB1 ALA 44 HB1 ALA 44 -0.426 -2.642 4.681
146 HB2 ALA 44 HB2 ALA 44 -1.611 -1.532 5.371
147 HB3 ALA 44 HB3 ALA 44 -0.278 -0.907 4.399
148 H THR 45 HN THR 45 -1.058 0.241 2.072
149 HA THR 45 HA THR 45 -2.935 2.106 3.009
150 HB THR 45 HB THR 45 -2.179 3.550 1.140
151 HG1 THR 45 HG1 THR 45 -1.624 2.391 -0.568
152 HG21 THR 45 HG21 THR 45 -0.882 3.502 3.193
153 HG22 THR 45 HG22 THR 45 0.195 3.657 1.805
154 HG23 THR 45 HG23 THR 45 0.021 2.101 2.616
155 H THR 46 HN THR 46 -3.098 -0.257 0.502
156 HA THR 46 HA THR 46 -5.075 0.869 -1.143
157 HB THR 46 HB THR 46 -4.598 -2.056 -0.538
158 HG1 THR 46 HG1 THR 46 -2.852 -0.619 -1.493
159 HG21 THR 46 HG21 THR 46 -6.005 -0.729 -2.860
160 HG22 THR 46 HG22 THR 46 -6.773 -1.678 -1.586
161 HG23 THR 46 HG23 THR 46 -5.663 -2.454 -2.716
162 H LEU 47 HN LEU 47 -5.270 -0.926 1.872
163 HA LEU 47 HA LEU 47 -8.046 -1.408 1.856
164 HB2 LEU 47 HB2 LEU 47 -5.992 -1.234 4.042
165 HB3 LEU 47 HB1 LEU 47 -7.682 -1.507 4.406
166 HG LEU 47 HG LEU 47 -6.483 -3.609 4.403
167 HD11 LEU 47 HD11 LEU 47 -8.789 -3.645 3.639
168 HD12 LEU 47 HD12 LEU 47 -7.829 -4.852 2.784
169 HD13 LEU 47 HD13 LEU 47 -8.261 -3.341 1.985
170 HD21 LEU 47 HD21 LEU 47 -5.780 -3.009 1.533
171 HD22 LEU 47 HD22 LEU 47 -5.392 -4.481 2.424
172 HD23 LEU 47 HD23 LEU 47 -4.661 -2.946 2.894
173 H PHE 48 HN PHE 48 -6.097 1.249 3.133
174 HA PHE 48 HA PHE 48 -8.216 2.644 4.373
175 HB2 PHE 48 HB2 PHE 48 -5.481 3.458 3.414
176 HB3 PHE 48 HB1 PHE 48 -6.592 4.632 4.114
177 HD1 PHE 48 HD1 PHE 48 -4.465 1.738 4.760
178 HD2 PHE 48 HD2 PHE 48 -7.159 4.556 6.465
179 HE1 PHE 48 HE1 PHE 48 -3.721 1.080 7.010
180 HE2 PHE 48 HE2 PHE 48 -6.418 3.906 8.719
181 HZ PHE 48 HZ PHE 48 -4.697 2.175 8.997
182 H CYS 49 HN CYS 49 -6.677 3.015 1.193
183 HA CYS 49 HA CYS 49 -8.374 5.141 0.358
184 HB2 CYS 49 HB2 CYS 49 -6.672 3.253 -1.283
185 HB3 CYS 49 HB1 CYS 49 -7.410 4.736 -1.879
186 HG CYS 49 HG CYS 49 -4.758 5.338 -1.571
187 H LEU 50 HN LEU 50 -8.703 1.707 0.404
188 HA LEU 50 HA LEU 50 -10.462 1.276 -1.714
189 HB2 LEU 50 HB2 LEU 50 -9.343 -0.315 0.139
190 HB3 LEU 50 HB1 LEU 50 -10.965 -0.215 0.796
191 HG LEU 50 HG LEU 50 -11.784 -0.944 -1.505
192 HD11 LEU 50 HD11 LEU 50 -10.017 -2.296 -2.734
193 HD12 LEU 50 HD12 LEU 50 -8.830 -1.387 -1.793
194 HD13 LEU 50 HD13 LEU 50 -9.927 -0.541 -2.883
195 HD21 LEU 50 HD21 LEU 50 -11.771 -2.433 0.423
196 HD22 LEU 50 HD22 LEU 50 -10.083 -2.838 0.113
197 HD23 LEU 50 HD23 LEU 50 -11.328 -3.306 -1.044
198 H LEU 51 HN LEU 51 -11.104 2.363 1.588
199 HA LEU 51 HA LEU 51 -13.935 2.299 1.358
200 HB2 LEU 51 HB2 LEU 51 -12.018 3.581 3.269
201 HB3 LEU 51 HB1 LEU 51 -13.726 3.966 3.346
202 HG LEU 51 HG LEU 51 -14.208 1.538 3.655
203 HD11 LEU 51 HD11 LEU 51 -11.212 1.329 3.908
204 HD12 LEU 51 HD12 LEU 51 -12.201 0.623 2.631
205 HD13 LEU 51 HD13 LEU 51 -12.371 0.055 4.292
206 HD21 LEU 51 HD21 LEU 51 -13.484 1.461 5.984
207 HD22 LEU 51 HD22 LEU 51 -14.089 3.061 5.556
208 HD23 LEU 51 HD23 LEU 51 -12.353 2.779 5.682
209 H HIS 52 HN HIS 52 -11.496 4.642 0.526
210 HA HIS 52 HA HIS 52 -13.042 6.960 0.391
211 HB2 HIS 52 HB2 HIS 52 -10.629 7.049 0.186
212 HB3 HIS 52 HB1 HIS 52 -10.683 6.106 -1.300
213 HD1 HIS 52 HD1 HIS 52 -11.276 7.338 -3.463
214 HD2 HIS 52 HD2 HIS 52 -11.373 9.759 -0.088
215 HE1 HIS 52 HE1 HIS 52 -11.428 9.694 -4.330
216 HE2 HIS 52 HE2 HIS 52 -11.573 11.135 -2.269
217 H PHE 53 HN PHE 53 -12.718 4.283 -1.850
218 HA PHE 53 HA PHE 53 -14.458 5.614 -3.787
219 HB2 PHE 53 HB2 PHE 53 -12.966 2.987 -3.954
220 HB3 PHE 53 HB1 PHE 53 -13.927 3.690 -5.251
221 HD1 PHE 53 HD1 PHE 53 -10.780 3.791 -3.450
222 HD2 PHE 53 HD2 PHE 53 -13.172 5.726 -6.390
223 HE1 PHE 53 HE1 PHE 53 -8.808 5.042 -4.225
224 HE2 PHE 53 HE2 PHE 53 -11.204 6.980 -7.171
225 HZ PHE 53 HZ PHE 53 -9.019 6.640 -6.088
226 H GLY 54 HN GLY 54 -14.468 3.122 -1.383
227 HA2 GLY 54 HA2 GLY 54 -16.358 2.186 -0.382
228 HA3 GLY 54 HA1 GLY 54 -17.340 2.830 -1.688
229 H VAL 55 HN VAL 55 -15.379 1.621 -3.646
230 HA VAL 55 HA VAL 55 -15.616 -0.135 -5.081
231 HB VAL 55 HB VAL 55 -14.552 -2.139 -4.233
232 HG11 VAL 55 HG11 VAL 55 -13.171 -0.261 -4.896
233 HG12 VAL 55 HG12 VAL 55 -12.428 -1.128 -3.553
234 HG13 VAL 55 HG13 VAL 55 -13.262 0.399 -3.263
235 HG21 VAL 55 HG21 VAL 55 -14.808 -0.833 -1.536
236 HG22 VAL 55 HG22 VAL 55 -13.779 -2.223 -1.874
237 HG23 VAL 55 HG23 VAL 55 -15.527 -2.357 -2.054
238 H ILE 56 HN ILE 56 -18.142 0.417 -3.706
239 HA ILE 56 HA ILE 56 -19.392 -2.179 -4.192
240 HB ILE 56 HB ILE 56 -19.491 -0.702 -1.603
241 HG12 ILE 56 HG12 ILE 56 -19.968 -3.251 -0.984
242 HG13 ILE 56 HG11 ILE 56 -19.248 -3.515 -2.568
243 HG21 ILE 56 HG21 ILE 56 -21.776 -0.500 -2.219
244 HG22 ILE 56 HG22 ILE 56 -21.667 -1.845 -1.083
245 HG23 ILE 56 HG23 ILE 56 -21.827 -2.160 -2.812
246 HD11 ILE 56 HD11 ILE 56 -17.237 -2.358 -1.860
247 HD12 ILE 56 HD12 ILE 56 -17.611 -3.696 -0.777
248 HD13 ILE 56 HD13 ILE 56 -17.961 -2.039 -0.285
249 H GLY 57 HN GLY 57 -21.243 -2.029 -5.316
250 HA2 GLY 57 HA2 GLY 57 -23.107 -1.113 -6.312
251 HA3 GLY 57 HA1 GLY 57 -22.973 0.241 -5.201
252 HA PRO 58 HA PRO 58 -21.789 1.644 -9.504
253 HB2 PRO 58 HB2 PRO 58 -23.674 3.542 -9.821
254 HB3 PRO 58 HB1 PRO 58 -23.984 1.842 -10.193
255 HG2 PRO 58 HG2 PRO 58 -24.727 3.415 -7.755
256 HG3 PRO 58 HG1 PRO 58 -25.698 2.247 -8.671
257 HD2 PRO 58 HD2 PRO 58 -24.405 1.631 -6.349
258 HD3 PRO 58 HD1 PRO 58 -24.736 0.443 -7.626
259 H GLN 59 HN GLN 59 -22.021 2.914 -6.389
260 HA GLN 59 HA GLN 59 -21.106 5.578 -7.033
261 HB2 GLN 59 HB2 GLN 59 -20.900 5.773 -4.517
262 HB3 GLN 59 HB1 GLN 59 -22.515 5.448 -5.133
263 HG2 GLN 59 HG2 GLN 59 -22.294 3.105 -4.550
264 HG3 GLN 59 HG1 GLN 59 -20.643 3.382 -3.996
265 HE21 GLN 59 HE21 GLN 59 -21.319 5.974 -2.819
266 HE22 GLN 59 HE22 GLN 59 -22.177 5.624 -1.361
267 H ARG 60 HN ARG 60 -19.248 4.544 -8.266
268 HA ARG 60 HA ARG 60 -17.045 3.712 -6.545
269 HB2 ARG 60 HB2 ARG 60 -15.864 3.420 -8.797
270 HB3 ARG 60 HB1 ARG 60 -17.194 2.330 -8.434
271 HG2 ARG 60 HG2 ARG 60 -18.682 3.663 -9.830
272 HG3 ARG 60 HG1 ARG 60 -17.361 4.781 -10.178
273 HD2 ARG 60 HD2 ARG 60 -17.709 3.161 -11.993
274 HD3 ARG 60 HD1 ARG 60 -16.111 3.011 -11.263
275 HE ARG 60 HE ARG 60 -18.204 1.232 -10.287
276 HH11 ARG 60 HH11 ARG 60 -15.362 1.691 -12.252
277 HH12 ARG 60 HH12 ARG 60 -15.020 -0.002 -12.380
278 HH21 ARG 60 HH21 ARG 60 -17.762 -0.999 -10.451
279 HH22 ARG 60 HH22 ARG 60 -16.386 -1.532 -11.358
Start of MODEL 15
1 H1 ARG 28 HT1 ARG 28 25.817 2.479 3.386
2 H2 ARG 28 HT2 ARG 28 26.831 3.815 3.610
3 H3 ARG 28 HT3 ARG 28 26.204 3.479 2.076
4 HA ARG 28 HA ARG 28 24.637 4.282 4.458
5 HB2 ARG 28 HB2 ARG 28 25.976 6.107 3.460
6 HB3 ARG 28 HB1 ARG 28 25.237 5.781 1.898
7 HG2 ARG 28 HG2 ARG 28 23.050 6.135 3.491
8 HG3 ARG 28 HG1 ARG 28 24.208 7.266 4.194
9 HD2 ARG 28 HD2 ARG 28 24.607 8.148 1.881
10 HD3 ARG 28 HD1 ARG 28 23.265 7.142 1.331
11 HE ARG 28 HE ARG 28 22.341 8.675 3.461
12 HH11 ARG 28 HH11 ARG 28 23.541 9.156 0.224
13 HH12 ARG 28 HH12 ARG 28 22.617 10.597 -0.042
14 HH21 ARG 28 HH21 ARG 28 21.123 10.572 3.119
15 HH22 ARG 28 HH22 ARG 28 21.246 11.404 1.604
16 H ARG 29 HN ARG 29 22.614 3.555 4.408
17 HA ARG 29 HA ARG 29 21.559 2.201 2.140
18 HB2 ARG 29 HB2 ARG 29 19.622 1.797 3.445
19 HB3 ARG 29 HB1 ARG 29 20.983 1.707 4.546
20 HG2 ARG 29 HG2 ARG 29 19.169 4.092 4.238
21 HG3 ARG 29 HG1 ARG 29 19.033 2.867 5.499
22 HD2 ARG 29 HD2 ARG 29 21.282 3.445 6.290
23 HD3 ARG 29 HD1 ARG 29 21.400 4.680 5.037
24 HE ARG 29 HE ARG 29 19.143 4.940 6.830
25 HH11 ARG 29 HH11 ARG 29 22.437 5.844 6.136
26 HH12 ARG 29 HH12 ARG 29 22.380 7.279 7.103
27 HH21 ARG 29 HH21 ARG 29 19.062 6.827 8.102
28 HH22 ARG 29 HH22 ARG 29 20.462 7.838 8.219
29 H CYS 30 HN CYS 30 20.677 3.070 0.392
30 HA CYS 30 HA CYS 30 19.806 5.856 0.530
31 HB2 CYS 30 HB2 CYS 30 20.472 4.155 -1.876
32 HB3 CYS 30 HB1 CYS 30 20.014 5.854 -1.930
33 HG CYS 30 HG CYS 30 22.597 5.305 0.097
34 H LEU 31 HN LEU 31 18.385 5.627 -2.007
35 HA LEU 31 HA LEU 31 15.782 5.509 -1.121
36 HB2 LEU 31 HB2 LEU 31 16.951 5.121 -3.866
37 HB3 LEU 31 HB1 LEU 31 15.222 5.146 -3.585
38 HG LEU 31 HG LEU 31 15.959 7.312 -4.366
39 HD11 LEU 31 HD11 LEU 31 14.131 7.254 -2.751
40 HD12 LEU 31 HD12 LEU 31 15.093 8.723 -2.585
41 HD13 LEU 31 HD13 LEU 31 15.289 7.405 -1.430
42 HD21 LEU 31 HD21 LEU 31 17.538 8.682 -3.151
43 HD22 LEU 31 HD22 LEU 31 18.299 7.157 -3.604
44 HD23 LEU 31 HD23 LEU 31 17.756 7.413 -1.945
45 H PHE 32 HN PHE 32 17.881 2.898 -1.958
46 HA PHE 32 HA PHE 32 16.124 0.882 -2.668
47 HB2 PHE 32 HB2 PHE 32 18.612 0.682 -2.603
48 HB3 PHE 32 HB1 PHE 32 18.530 0.601 -0.846
49 HD1 PHE 32 HD1 PHE 32 17.824 -1.171 -3.976
50 HD2 PHE 32 HD2 PHE 32 17.797 -1.388 0.274
51 HE1 PHE 32 HE1 PHE 32 17.532 -3.610 -4.107
52 HE2 PHE 32 HE2 PHE 32 17.506 -3.830 0.151
53 HZ PHE 32 HZ PHE 32 17.393 -4.945 -2.042
54 H LEU 33 HN LEU 33 16.503 2.517 0.306
55 HA LEU 33 HA LEU 33 15.221 0.520 1.939
56 HB2 LEU 33 HB2 LEU 33 16.700 2.989 2.331
57 HB3 LEU 33 HB1 LEU 33 15.257 2.932 3.336
58 HG LEU 33 HG LEU 33 17.298 2.067 4.461
59 HD11 LEU 33 HD11 LEU 33 15.070 1.365 5.181
60 HD12 LEU 33 HD12 LEU 33 16.250 0.070 5.382
61 HD13 LEU 33 HD13 LEU 33 15.118 0.030 4.030
62 HD21 LEU 33 HD21 LEU 33 18.224 -0.064 3.810
63 HD22 LEU 33 HD22 LEU 33 18.313 1.055 2.449
64 HD23 LEU 33 HD23 LEU 33 17.071 -0.197 2.483
65 H SER 34 HN SER 34 14.332 3.508 0.317
66 HA SER 34 HA SER 34 11.770 3.694 1.604
67 HB2 SER 34 HB2 SER 34 12.839 5.122 -0.840
68 HB3 SER 34 HB1 SER 34 11.357 5.536 0.022
69 HG SER 34 HG SER 34 12.812 5.756 1.916
70 H LEU 35 HN LEU 35 13.008 2.274 -1.341
71 HA LEU 35 HA LEU 35 10.406 1.890 -2.524
72 HB2 LEU 35 HB2 LEU 35 12.876 0.401 -3.338
73 HB3 LEU 35 HB1 LEU 35 11.515 0.895 -4.326
74 HG LEU 35 HG LEU 35 13.122 3.070 -3.127
75 HD11 LEU 35 HD11 LEU 35 14.689 1.196 -3.925
76 HD12 LEU 35 HD12 LEU 35 14.973 2.837 -4.515
77 HD13 LEU 35 HD13 LEU 35 14.169 1.653 -5.548
78 HD21 LEU 35 HD21 LEU 35 11.183 3.458 -4.609
79 HD22 LEU 35 HD22 LEU 35 12.027 2.601 -5.899
80 HD23 LEU 35 HD23 LEU 35 12.683 4.111 -5.267
81 H PHE 36 HN PHE 36 12.901 -0.272 -1.217
82 HA PHE 36 HA PHE 36 11.502 -2.659 -1.419
83 HB2 PHE 36 HB2 PHE 36 13.959 -2.257 -0.837
84 HB3 PHE 36 HB1 PHE 36 13.412 -2.041 0.824
85 HD1 PHE 36 HD1 PHE 36 13.315 -4.464 -1.995
86 HD2 PHE 36 HD2 PHE 36 13.161 -3.875 2.218
87 HE1 PHE 36 HE1 PHE 36 13.384 -6.901 -1.655
88 HE2 PHE 36 HE2 PHE 36 13.230 -6.310 2.565
89 HZ PHE 36 HZ PHE 36 13.340 -7.826 0.622
90 H SER 37 HN SER 37 10.954 -0.027 0.693
91 HA SER 37 HA SER 37 9.363 -1.697 2.513
92 HB2 SER 37 HB2 SER 37 9.366 0.215 4.032
93 HB3 SER 37 HB1 SER 37 11.018 -0.178 3.559
94 HG SER 37 HG SER 37 10.238 2.132 3.484
95 H PHE 38 HN PHE 38 9.111 0.474 -0.091
96 HA PHE 38 HA PHE 38 6.540 1.558 0.507
97 HB2 PHE 38 HB2 PHE 38 8.062 2.713 -1.013
98 HB3 PHE 38 HB1 PHE 38 8.022 1.348 -2.122
99 HD1 PHE 38 HD1 PHE 38 6.520 1.356 -3.872
100 HD2 PHE 38 HD2 PHE 38 5.770 3.820 -0.484
101 HE1 PHE 38 HE1 PHE 38 4.592 2.354 -5.030
102 HE2 PHE 38 HE2 PHE 38 3.839 4.821 -1.636
103 HZ PHE 38 HZ PHE 38 3.249 4.089 -3.911
104 H LEU 39 HN LEU 39 7.696 -1.180 -1.415
105 HA LEU 39 HA LEU 39 5.251 -1.887 -2.587
106 HB2 LEU 39 HB2 LEU 39 7.741 -3.416 -1.922
107 HB3 LEU 39 HB1 LEU 39 6.340 -4.251 -2.567
108 HG LEU 39 HG LEU 39 6.477 -2.488 -4.473
109 HD11 LEU 39 HD11 LEU 39 9.088 -2.198 -3.061
110 HD12 LEU 39 HD12 LEU 39 8.041 -0.954 -3.747
111 HD13 LEU 39 HD13 LEU 39 9.000 -1.985 -4.810
112 HD21 LEU 39 HD21 LEU 39 8.528 -4.684 -4.181
113 HD22 LEU 39 HD22 LEU 39 8.049 -3.920 -5.697
114 HD23 LEU 39 HD23 LEU 39 6.879 -4.870 -4.781
115 H ILE 40 HN ILE 40 6.420 -2.261 0.632
116 HA ILE 40 HA ILE 40 4.528 -4.331 1.346
117 HB ILE 40 HB ILE 40 6.332 -2.661 3.106
118 HG12 ILE 40 HG12 ILE 40 6.688 -5.533 2.237
119 HG13 ILE 40 HG11 ILE 40 7.438 -4.179 1.399
120 HG21 ILE 40 HG21 ILE 40 4.413 -3.553 4.320
121 HG22 ILE 40 HG22 ILE 40 5.901 -4.361 4.812
122 HG23 ILE 40 HG23 ILE 40 4.777 -5.171 3.722
123 HD11 ILE 40 HD11 ILE 40 8.664 -3.593 3.407
124 HD12 ILE 40 HD12 ILE 40 8.974 -5.268 2.948
125 HD13 ILE 40 HD13 ILE 40 7.880 -4.907 4.284
126 H VAL 41 HN VAL 41 5.041 -0.922 2.257
127 HA VAL 41 HA VAL 41 2.649 -0.679 3.737
128 HB VAL 41 HB VAL 41 4.653 0.865 3.852
129 HG11 VAL 41 HG11 VAL 41 3.357 2.132 1.442
130 HG12 VAL 41 HG12 VAL 41 4.872 1.230 1.424
131 HG13 VAL 41 HG13 VAL 41 4.757 2.739 2.328
132 HG21 VAL 41 HG21 VAL 41 2.563 1.366 4.995
133 HG22 VAL 41 HG22 VAL 41 1.927 2.118 3.532
134 HG23 VAL 41 HG23 VAL 41 3.300 2.841 4.371
135 H ALA 42 HN ALA 42 3.302 -0.630 0.361
136 HA ALA 42 HA ALA 42 1.253 0.973 -0.628
137 HB1 ALA 42 HB1 ALA 42 3.047 0.065 -2.021
138 HB2 ALA 42 HB2 ALA 42 1.460 -0.299 -2.698
139 HB3 ALA 42 HB3 ALA 42 2.364 -1.552 -1.849
140 H GLY 43 HN GLY 43 1.201 -2.394 0.431
141 HA2 GLY 43 HA2 GLY 43 -1.447 -2.937 -0.455
142 HA3 GLY 43 HA1 GLY 43 -0.535 -3.876 0.719
143 H ALA 44 HN ALA 44 -0.111 -1.563 2.473
144 HA ALA 44 HA ALA 44 -2.595 -1.750 3.932
145 HB1 ALA 44 HB1 ALA 44 -0.476 -1.893 5.120
146 HB2 ALA 44 HB2 ALA 44 -1.408 -0.504 5.677
147 HB3 ALA 44 HB3 ALA 44 -0.047 -0.270 4.580
148 H THR 45 HN THR 45 -0.983 0.567 1.905
149 HA THR 45 HA THR 45 -2.602 2.803 2.734
150 HB THR 45 HB THR 45 -1.553 3.982 0.810
151 HG1 THR 45 HG1 THR 45 -1.194 1.651 -0.176
152 HG21 THR 45 HG21 THR 45 -0.456 4.070 2.960
153 HG22 THR 45 HG22 THR 45 0.766 3.916 1.696
154 HG23 THR 45 HG23 THR 45 0.319 2.514 2.667
155 H THR 46 HN THR 46 -2.600 0.429 0.154
156 HA THR 46 HA THR 46 -4.606 1.693 -1.426
157 HB THR 46 HB THR 46 -3.761 -1.212 -1.387
158 HG1 THR 46 HG1 THR 46 -2.930 0.184 -3.529
159 HG21 THR 46 HG21 THR 46 -4.730 -1.306 -3.635
160 HG22 THR 46 HG22 THR 46 -5.268 0.366 -3.477
161 HG23 THR 46 HG23 THR 46 -5.951 -0.882 -2.436
162 H LEU 47 HN LEU 47 -4.634 -0.910 0.978
163 HA LEU 47 HA LEU 47 -7.339 -1.590 0.789
164 HB2 LEU 47 HB2 LEU 47 -5.397 -2.720 2.079
165 HB3 LEU 47 HB1 LEU 47 -5.814 -1.624 3.379
166 HG LEU 47 HG LEU 47 -6.785 -3.887 3.640
167 HD11 LEU 47 HD11 LEU 47 -8.965 -3.178 4.316
168 HD12 LEU 47 HD12 LEU 47 -8.898 -1.781 3.243
169 HD13 LEU 47 HD13 LEU 47 -7.828 -1.870 4.641
170 HD21 LEU 47 HD21 LEU 47 -8.409 -3.150 1.209
171 HD22 LEU 47 HD22 LEU 47 -8.645 -4.574 2.220
172 HD23 LEU 47 HD23 LEU 47 -7.161 -4.394 1.283
173 H PHE 48 HN PHE 48 -5.700 0.790 2.844
174 HA PHE 48 HA PHE 48 -7.959 1.649 4.273
175 HB2 PHE 48 HB2 PHE 48 -5.627 2.147 4.933
176 HB3 PHE 48 HB1 PHE 48 -5.480 3.230 3.551
177 HD1 PHE 48 HD1 PHE 48 -7.225 2.706 6.765
178 HD2 PHE 48 HD2 PHE 48 -6.269 5.448 3.654
179 HE1 PHE 48 HE1 PHE 48 -8.083 4.559 8.139
180 HE2 PHE 48 HE2 PHE 48 -7.124 7.306 5.022
181 HZ PHE 48 HZ PHE 48 -8.033 6.862 7.268
182 H CYS 49 HN CYS 49 -6.347 3.188 1.485
183 HA CYS 49 HA CYS 49 -8.296 5.181 1.102
184 HB2 CYS 49 HB2 CYS 49 -6.047 5.365 0.167
185 HB3 CYS 49 HB1 CYS 49 -6.352 3.985 -0.882
186 HG CYS 49 HG CYS 49 -8.197 5.245 -2.487
187 H LEU 50 HN LEU 50 -8.237 1.846 0.216
188 HA LEU 50 HA LEU 50 -9.879 1.791 -2.020
189 HB2 LEU 50 HB2 LEU 50 -8.662 -0.104 -0.610
190 HB3 LEU 50 HB1 LEU 50 -10.267 -0.291 0.070
191 HG LEU 50 HG LEU 50 -11.102 -0.534 -2.318
192 HD11 LEU 50 HD11 LEU 50 -9.249 -1.410 -3.849
193 HD12 LEU 50 HD12 LEU 50 -8.136 -0.589 -2.752
194 HD13 LEU 50 HD13 LEU 50 -9.367 0.334 -3.617
195 HD21 LEU 50 HD21 LEU 50 -10.460 -2.886 -2.434
196 HD22 LEU 50 HD22 LEU 50 -10.869 -2.424 -0.781
197 HD23 LEU 50 HD23 LEU 50 -9.179 -2.603 -1.255
198 H LEU 51 HN LEU 51 -10.774 1.841 1.409
199 HA LEU 51 HA LEU 51 -13.569 1.654 0.969
200 HB2 LEU 51 HB2 LEU 51 -12.011 2.723 3.323
201 HB3 LEU 51 HB1 LEU 51 -13.745 2.457 3.322
202 HG LEU 51 HG LEU 51 -11.695 0.280 2.899
203 HD11 LEU 51 HD11 LEU 51 -12.262 -0.418 5.185
204 HD12 LEU 51 HD12 LEU 51 -13.244 1.036 5.374
205 HD13 LEU 51 HD13 LEU 51 -11.501 1.173 5.144
206 HD21 LEU 51 HD21 LEU 51 -14.666 0.168 3.411
207 HD22 LEU 51 HD22 LEU 51 -13.586 -1.221 3.285
208 HD23 LEU 51 HD23 LEU 51 -13.861 -0.188 1.882
209 H HIS 52 HN HIS 52 -11.312 4.317 1.061
210 HA HIS 52 HA HIS 52 -13.418 6.311 1.100
211 HB2 HIS 52 HB2 HIS 52 -10.413 6.547 0.872
212 HB3 HIS 52 HB1 HIS 52 -11.509 7.925 0.904
213 HD1 HIS 52 HD1 HIS 52 -9.851 5.438 3.082
214 HD2 HIS 52 HD2 HIS 52 -12.786 8.360 3.419
215 HE1 HIS 52 HE1 HIS 52 -10.159 5.800 5.551
216 HE2 HIS 52 HE2 HIS 52 -11.947 7.564 5.733
217 H PHE 53 HN PHE 53 -12.239 4.325 -1.222
218 HA PHE 53 HA PHE 53 -12.282 6.320 -3.360
219 HB2 PHE 53 HB2 PHE 53 -10.477 4.558 -3.246
220 HB3 PHE 53 HB1 PHE 53 -11.718 3.364 -3.618
221 HD1 PHE 53 HD1 PHE 53 -9.875 6.276 -4.913
222 HD2 PHE 53 HD2 PHE 53 -12.555 3.097 -5.820
223 HE1 PHE 53 HE1 PHE 53 -9.564 6.704 -7.317
224 HE2 PHE 53 HE2 PHE 53 -12.249 3.518 -8.224
225 HZ PHE 53 HZ PHE 53 -10.745 5.334 -8.972
226 H GLY 54 HN GLY 54 -14.205 3.817 -1.955
227 HA2 GLY 54 HA2 GLY 54 -16.452 3.380 -2.303
228 HA3 GLY 54 HA1 GLY 54 -16.445 4.552 -3.611
229 H VAL 55 HN VAL 55 -14.154 1.927 -3.512
230 HA VAL 55 HA VAL 55 -14.594 1.049 -6.087
231 HB VAL 55 HB VAL 55 -13.522 -1.100 -5.387
232 HG11 VAL 55 HG11 VAL 55 -12.189 0.821 -6.080
233 HG12 VAL 55 HG12 VAL 55 -11.371 -0.089 -4.809
234 HG13 VAL 55 HG13 VAL 55 -12.185 1.427 -4.424
235 HG21 VAL 55 HG21 VAL 55 -12.696 -1.299 -3.093
236 HG22 VAL 55 HG22 VAL 55 -14.458 -1.243 -3.135
237 HG23 VAL 55 HG23 VAL 55 -13.542 0.187 -2.657
238 H ILE 56 HN ILE 56 -16.176 -0.013 -3.111
239 HA ILE 56 HA ILE 56 -18.091 -1.510 -4.770
240 HB ILE 56 HB ILE 56 -17.194 -2.261 -1.988
241 HG12 ILE 56 HG12 ILE 56 -15.466 -2.717 -3.671
242 HG13 ILE 56 HG11 ILE 56 -16.157 -4.214 -3.054
243 HG21 ILE 56 HG21 ILE 56 -18.533 -4.293 -2.350
244 HG22 ILE 56 HG22 ILE 56 -19.100 -3.630 -3.882
245 HG23 ILE 56 HG23 ILE 56 -19.518 -2.830 -2.368
246 HD11 ILE 56 HD11 ILE 56 -15.811 -4.334 -5.447
247 HD12 ILE 56 HD12 ILE 56 -16.820 -2.907 -5.683
248 HD13 ILE 56 HD13 ILE 56 -17.533 -4.398 -5.068
249 H GLY 57 HN GLY 57 -17.573 0.434 -1.902
250 HA2 GLY 57 HA2 GLY 57 -19.026 2.030 -1.012
251 HA3 GLY 57 HA1 GLY 57 -20.285 1.443 -2.088
252 HA PRO 58 HA PRO 58 -21.606 0.187 2.163
253 HB2 PRO 58 HB2 PRO 58 -24.162 -0.028 0.663
254 HB3 PRO 58 HB1 PRO 58 -23.831 0.742 2.218
255 HG2 PRO 58 HG2 PRO 58 -24.241 2.211 0.035
256 HG3 PRO 58 HG1 PRO 58 -23.020 2.681 1.235
257 HD2 PRO 58 HD2 PRO 58 -22.654 1.378 -1.434
258 HD3 PRO 58 HD1 PRO 58 -21.675 2.636 -0.649
259 H GLN 59 HN GLN 59 -20.768 -1.828 2.377
260 HA GLN 59 HA GLN 59 -21.544 -3.967 0.582
261 HB2 GLN 59 HB2 GLN 59 -19.216 -3.756 1.410
262 HB3 GLN 59 HB1 GLN 59 -19.792 -4.047 3.046
263 HG2 GLN 59 HG2 GLN 59 -20.528 -6.269 2.421
264 HG3 GLN 59 HG1 GLN 59 -20.031 -5.982 0.754
265 HE21 GLN 59 HE21 GLN 59 -17.835 -5.909 0.253
266 HE22 GLN 59 HE22 GLN 59 -16.635 -6.557 1.314
267 H ARG 60 HN ARG 60 -23.316 -5.130 0.881
268 HA ARG 60 HA ARG 60 -24.561 -5.197 3.525
269 HB2 ARG 60 HB2 ARG 60 -26.475 -6.269 2.208
270 HB3 ARG 60 HB1 ARG 60 -26.127 -4.576 1.889
271 HG2 ARG 60 HG2 ARG 60 -24.792 -5.310 -0.094
272 HG3 ARG 60 HG1 ARG 60 -25.387 -6.947 0.191
273 HD2 ARG 60 HD2 ARG 60 -27.688 -6.151 -0.055
274 HD3 ARG 60 HD1 ARG 60 -27.092 -4.515 -0.335
275 HE ARG 60 HE ARG 60 -26.444 -6.757 -2.137
276 HH11 ARG 60 HH11 ARG 60 -27.513 -3.487 -1.579
277 HH12 ARG 60 HH12 ARG 60 -27.608 -3.094 -3.263
278 HH21 ARG 60 HH21 ARG 60 -26.568 -6.249 -4.357
279 HH22 ARG 60 HH22 ARG 60 -27.071 -4.663 -4.842
Start of MODEL 16
1 H1 ARG 28 HT1 ARG 28 22.602 -7.989 1.680
2 H2 ARG 28 HT2 ARG 28 24.004 -8.015 2.624
3 H3 ARG 28 HT3 ARG 28 24.083 -7.523 1.008
4 HA ARG 28 HA ARG 28 22.695 -6.113 3.213
5 HB2 ARG 28 HB2 ARG 28 25.284 -6.050 2.945
6 HB3 ARG 28 HB1 ARG 28 24.958 -5.049 1.540
7 HG2 ARG 28 HG2 ARG 28 23.975 -4.415 4.313
8 HG3 ARG 28 HG1 ARG 28 25.476 -3.793 3.630
9 HD2 ARG 28 HD2 ARG 28 24.133 -2.795 1.772
10 HD3 ARG 28 HD1 ARG 28 22.675 -3.299 2.627
11 HE ARG 28 HE ARG 28 24.634 -1.382 3.714
12 HH11 ARG 28 HH11 ARG 28 21.365 -2.527 3.312
13 HH12 ARG 28 HH12 ARG 28 20.665 -1.230 4.223
14 HH21 ARG 28 HH21 ARG 28 23.720 0.322 4.913
15 HH22 ARG 28 HH22 ARG 28 22.005 0.387 5.134
16 H ARG 29 HN ARG 29 20.724 -5.801 2.192
17 HA ARG 29 HA ARG 29 20.351 -5.122 -0.492
18 HB2 ARG 29 HB2 ARG 29 18.674 -4.373 1.909
19 HB3 ARG 29 HB1 ARG 29 18.149 -4.236 0.237
20 HG2 ARG 29 HG2 ARG 29 18.381 -6.661 -0.027
21 HG3 ARG 29 HG1 ARG 29 18.884 -6.787 1.660
22 HD2 ARG 29 HD2 ARG 29 16.722 -5.865 2.363
23 HD3 ARG 29 HD1 ARG 29 16.223 -5.759 0.674
24 HE ARG 29 HE ARG 29 17.016 -8.403 1.354
25 HH11 ARG 29 HH11 ARG 29 14.402 -6.121 1.687
26 HH12 ARG 29 HH12 ARG 29 13.185 -7.344 1.835
27 HH21 ARG 29 HH21 ARG 29 15.420 -10.017 1.551
28 HH22 ARG 29 HH22 ARG 29 13.762 -9.558 1.756
29 H CYS 30 HN CYS 30 20.984 -3.392 -1.576
30 HA CYS 30 HA CYS 30 22.158 -1.160 -0.273
31 HB2 CYS 30 HB2 CYS 30 22.431 -0.254 -2.560
32 HB3 CYS 30 HB1 CYS 30 22.998 -1.914 -2.420
33 HG CYS 30 HG CYS 30 21.775 -2.568 -4.579
34 H LEU 31 HN LEU 31 21.182 0.800 -2.260
35 HA LEU 31 HA LEU 31 19.390 2.191 -0.696
36 HB2 LEU 31 HB2 LEU 31 20.001 2.329 -3.634
37 HB3 LEU 31 HB1 LEU 31 18.852 3.421 -2.882
38 HG LEU 31 HG LEU 31 21.033 4.480 -3.100
39 HD11 LEU 31 HD11 LEU 31 20.378 3.818 -0.233
40 HD12 LEU 31 HD12 LEU 31 19.635 5.094 -1.198
41 HD13 LEU 31 HD13 LEU 31 21.348 5.184 -0.786
42 HD21 LEU 31 HD21 LEU 31 22.977 3.663 -1.873
43 HD22 LEU 31 HD22 LEU 31 22.426 2.468 -3.048
44 HD23 LEU 31 HD23 LEU 31 22.059 2.255 -1.337
45 H PHE 32 HN PHE 32 18.732 -0.316 -3.039
46 HA PHE 32 HA PHE 32 16.042 0.159 -3.568
47 HB2 PHE 32 HB2 PHE 32 17.691 -2.345 -3.428
48 HB3 PHE 32 HB1 PHE 32 15.952 -2.454 -3.676
49 HD1 PHE 32 HD1 PHE 32 15.029 -0.877 -5.588
50 HD2 PHE 32 HD2 PHE 32 19.048 -2.237 -5.275
51 HE1 PHE 32 HE1 PHE 32 15.342 -0.489 -7.997
52 HE2 PHE 32 HE2 PHE 32 19.371 -1.849 -7.684
53 HZ PHE 32 HZ PHE 32 17.516 -0.974 -9.048
54 H LEU 33 HN LEU 33 17.572 -0.705 -0.667
55 HA LEU 33 HA LEU 33 15.771 -2.188 0.765
56 HB2 LEU 33 HB2 LEU 33 18.037 -1.302 1.489
57 HB3 LEU 33 HB1 LEU 33 17.227 0.204 1.881
58 HG LEU 33 HG LEU 33 15.693 -1.390 3.334
59 HD11 LEU 33 HD11 LEU 33 17.086 -3.177 4.348
60 HD12 LEU 33 HD12 LEU 33 18.283 -2.905 3.079
61 HD13 LEU 33 HD13 LEU 33 16.666 -3.472 2.660
62 HD21 LEU 33 HD21 LEU 33 17.027 0.477 4.178
63 HD22 LEU 33 HD22 LEU 33 18.466 -0.542 4.164
64 HD23 LEU 33 HD23 LEU 33 17.127 -0.921 5.248
65 H SER 34 HN SER 34 15.859 1.373 0.581
66 HA SER 34 HA SER 34 13.483 1.791 2.034
67 HB2 SER 34 HB2 SER 34 14.784 3.572 -0.041
68 HB3 SER 34 HB1 SER 34 13.549 4.078 1.111
69 HG SER 34 HG SER 34 15.241 3.100 2.673
70 H LEU 35 HN LEU 35 14.111 1.231 -1.368
71 HA LEU 35 HA LEU 35 11.573 1.950 -2.360
72 HB2 LEU 35 HB2 LEU 35 13.608 1.626 -3.749
73 HB3 LEU 35 HB1 LEU 35 13.514 -0.097 -3.447
74 HG LEU 35 HG LEU 35 12.644 0.852 -5.692
75 HD11 LEU 35 HD11 LEU 35 12.404 -1.466 -4.622
76 HD12 LEU 35 HD12 LEU 35 11.319 -1.031 -5.945
77 HD13 LEU 35 HD13 LEU 35 10.745 -0.974 -4.277
78 HD21 LEU 35 HD21 LEU 35 10.308 1.478 -5.718
79 HD22 LEU 35 HD22 LEU 35 11.207 2.591 -4.686
80 HD23 LEU 35 HD23 LEU 35 10.215 1.323 -3.963
81 H PHE 36 HN PHE 36 12.805 -0.963 -0.869
82 HA PHE 36 HA PHE 36 10.572 -2.609 -1.572
83 HB2 PHE 36 HB2 PHE 36 12.725 -3.629 -1.083
84 HB3 PHE 36 HB1 PHE 36 12.708 -2.953 0.542
85 HD1 PHE 36 HD1 PHE 36 10.886 -5.286 -1.696
86 HD2 PHE 36 HD2 PHE 36 11.773 -4.149 2.308
87 HE1 PHE 36 HE1 PHE 36 9.756 -7.312 -0.875
88 HE2 PHE 36 HE2 PHE 36 10.646 -6.173 3.136
89 HZ PHE 36 HZ PHE 36 9.642 -7.758 1.551
90 H SER 37 HN SER 37 11.546 -0.820 1.329
91 HA SER 37 HA SER 37 9.403 -1.629 2.963
92 HB2 SER 37 HB2 SER 37 9.982 0.319 4.358
93 HB3 SER 37 HB1 SER 37 11.423 -0.575 3.873
94 HG SER 37 HG SER 37 10.887 1.985 3.481
95 H PHE 38 HN PHE 38 9.481 0.413 0.259
96 HA PHE 38 HA PHE 38 7.286 2.111 1.004
97 HB2 PHE 38 HB2 PHE 38 9.010 2.846 -0.602
98 HB3 PHE 38 HB1 PHE 38 8.500 1.586 -1.719
99 HD1 PHE 38 HD1 PHE 38 6.722 1.936 -3.200
100 HD2 PHE 38 HD2 PHE 38 7.380 4.668 -0.006
101 HE1 PHE 38 HE1 PHE 38 5.069 3.473 -4.180
102 HE2 PHE 38 HE2 PHE 38 5.728 6.211 -0.980
103 HZ PHE 38 HZ PHE 38 4.570 5.613 -3.069
104 H LEU 39 HN LEU 39 7.699 -0.860 -0.847
105 HA LEU 39 HA LEU 39 5.081 -0.973 -1.907
106 HB2 LEU 39 HB2 LEU 39 7.286 -2.936 -1.490
107 HB3 LEU 39 HB1 LEU 39 5.689 -3.553 -1.868
108 HG LEU 39 HG LEU 39 6.908 -3.433 -3.900
109 HD11 LEU 39 HD11 LEU 39 4.579 -2.685 -4.054
110 HD12 LEU 39 HD12 LEU 39 5.608 -1.878 -5.237
111 HD13 LEU 39 HD13 LEU 39 5.101 -1.022 -3.782
112 HD21 LEU 39 HD21 LEU 39 8.511 -1.727 -2.842
113 HD22 LEU 39 HD22 LEU 39 7.431 -0.515 -3.532
114 HD23 LEU 39 HD23 LEU 39 8.243 -1.676 -4.585
115 H ILE 40 HN ILE 40 6.326 -1.513 1.226
116 HA ILE 40 HA ILE 40 4.305 -3.309 2.154
117 HB ILE 40 HB ILE 40 6.169 -1.502 3.703
118 HG12 ILE 40 HG12 ILE 40 6.324 -4.480 3.208
119 HG13 ILE 40 HG11 ILE 40 7.232 -3.282 2.291
120 HG21 ILE 40 HG21 ILE 40 4.471 -3.796 4.677
121 HG22 ILE 40 HG22 ILE 40 4.180 -2.087 5.006
122 HG23 ILE 40 HG23 ILE 40 5.624 -2.876 5.642
123 HD11 ILE 40 HD11 ILE 40 7.463 -3.816 5.243
124 HD12 ILE 40 HD12 ILE 40 8.350 -2.578 4.355
125 HD13 ILE 40 HD13 ILE 40 8.618 -4.283 3.996
126 H VAL 41 HN VAL 41 4.794 0.198 2.294
127 HA VAL 41 HA VAL 41 2.355 0.621 3.772
128 HB VAL 41 HB VAL 41 4.521 2.085 3.780
129 HG11 VAL 41 HG11 VAL 41 4.484 2.482 1.330
130 HG12 VAL 41 HG12 VAL 41 4.510 3.963 2.285
131 HG13 VAL 41 HG13 VAL 41 3.004 3.422 1.543
132 HG21 VAL 41 HG21 VAL 41 3.196 4.045 4.437
133 HG22 VAL 41 HG22 VAL 41 2.549 2.552 5.119
134 HG23 VAL 41 HG23 VAL 41 1.761 3.302 3.730
135 H ALA 42 HN ALA 42 3.310 0.441 0.464
136 HA ALA 42 HA ALA 42 1.286 1.995 -0.722
137 HB1 ALA 42 HB1 ALA 42 1.791 0.758 -2.773
138 HB2 ALA 42 HB2 ALA 42 2.735 -0.403 -1.839
139 HB3 ALA 42 HB3 ALA 42 3.262 1.277 -1.950
140 H GLY 43 HN GLY 43 1.359 -1.337 0.393
141 HA2 GLY 43 HA2 GLY 43 -1.186 -2.010 -0.777
142 HA3 GLY 43 HA1 GLY 43 -0.262 -2.992 0.350
143 H ALA 44 HN ALA 44 -0.088 -0.684 2.242
144 HA ALA 44 HA ALA 44 -2.574 -1.219 3.621
145 HB1 ALA 44 HB1 ALA 44 -0.476 -1.235 4.863
146 HB2 ALA 44 HB2 ALA 44 -1.563 0.011 5.478
147 HB3 ALA 44 HB3 ALA 44 -0.204 0.456 4.445
148 H THR 45 HN THR 45 -1.108 1.384 1.831
149 HA THR 45 HA THR 45 -2.978 3.385 2.728
150 HB THR 45 HB THR 45 -1.968 4.784 0.915
151 HG1 THR 45 HG1 THR 45 -0.778 3.838 -0.550
152 HG21 THR 45 HG21 THR 45 -0.090 3.438 2.856
153 HG22 THR 45 HG22 THR 45 -1.035 4.902 3.131
154 HG23 THR 45 HG23 THR 45 0.288 4.912 1.964
155 H THR 46 HN THR 46 -2.399 1.648 -0.326
156 HA THR 46 HA THR 46 -4.535 2.715 -1.774
157 HB THR 46 HB THR 46 -3.331 -0.051 -2.013
158 HG1 THR 46 HG1 THR 46 -1.917 1.855 -2.279
159 HG21 THR 46 HG21 THR 46 -5.478 0.074 -3.151
160 HG22 THR 46 HG22 THR 46 -4.169 0.035 -4.332
161 HG23 THR 46 HG23 THR 46 -4.982 1.557 -3.968
162 H LEU 47 HN LEU 47 -4.392 -0.366 0.015
163 HA LEU 47 HA LEU 47 -7.038 -1.140 -0.362
164 HB2 LEU 47 HB2 LEU 47 -5.010 -2.388 0.690
165 HB3 LEU 47 HB1 LEU 47 -5.573 -1.697 2.197
166 HG LEU 47 HG LEU 47 -6.332 -4.027 1.827
167 HD11 LEU 47 HD11 LEU 47 -8.604 -2.054 1.862
168 HD12 LEU 47 HD12 LEU 47 -7.597 -2.455 3.252
169 HD13 LEU 47 HD13 LEU 47 -8.610 -3.693 2.510
170 HD21 LEU 47 HD21 LEU 47 -6.579 -3.934 -0.604
171 HD22 LEU 47 HD22 LEU 47 -7.948 -2.838 -0.423
172 HD23 LEU 47 HD23 LEU 47 -8.058 -4.492 0.177
173 H PHE 48 HN PHE 48 -5.600 0.814 2.231
174 HA PHE 48 HA PHE 48 -7.799 1.112 3.880
175 HB2 PHE 48 HB2 PHE 48 -5.603 1.935 4.512
176 HB3 PHE 48 HB1 PHE 48 -5.648 3.135 3.224
177 HD1 PHE 48 HD1 PHE 48 -7.210 2.131 6.421
178 HD2 PHE 48 HD2 PHE 48 -6.673 5.225 3.548
179 HE1 PHE 48 HE1 PHE 48 -8.240 3.743 7.970
180 HE2 PHE 48 HE2 PHE 48 -7.702 6.842 5.092
181 HZ PHE 48 HZ PHE 48 -8.486 6.102 7.306
182 H CYS 49 HN CYS 49 -6.770 3.523 1.460
183 HA CYS 49 HA CYS 49 -9.143 5.014 1.543
184 HB2 CYS 49 HB2 CYS 49 -7.050 5.899 0.629
185 HB3 CYS 49 HB1 CYS 49 -7.137 4.756 -0.707
186 HG CYS 49 HG CYS 49 -9.933 6.195 -0.960
187 H LEU 50 HN LEU 50 -8.379 2.060 -0.076
188 HA LEU 50 HA LEU 50 -10.301 2.172 -2.148
189 HB2 LEU 50 HB2 LEU 50 -8.289 0.495 -1.577
190 HB3 LEU 50 HB1 LEU 50 -9.621 -0.455 -0.948
191 HG LEU 50 HG LEU 50 -10.714 -0.165 -3.229
192 HD11 LEU 50 HD11 LEU 50 -9.521 1.637 -4.156
193 HD12 LEU 50 HD12 LEU 50 -8.981 0.215 -5.050
194 HD13 LEU 50 HD13 LEU 50 -7.963 0.903 -3.782
195 HD21 LEU 50 HD21 LEU 50 -8.110 -1.678 -3.046
196 HD22 LEU 50 HD22 LEU 50 -9.400 -1.977 -4.210
197 HD23 LEU 50 HD23 LEU 50 -9.681 -2.254 -2.491
198 H LEU 51 HN LEU 51 -10.496 1.375 1.233
199 HA LEU 51 HA LEU 51 -12.969 -0.018 1.145
200 HB2 LEU 51 HB2 LEU 51 -11.684 1.489 3.424
201 HB3 LEU 51 HB1 LEU 51 -13.026 0.372 3.575
202 HG LEU 51 HG LEU 51 -10.276 -0.398 2.597
203 HD11 LEU 51 HD11 LEU 51 -10.192 0.291 4.927
204 HD12 LEU 51 HD12 LEU 51 -10.004 -1.457 4.786
205 HD13 LEU 51 HD13 LEU 51 -11.545 -0.776 5.306
206 HD21 LEU 51 HD21 LEU 51 -12.654 -2.071 3.402
207 HD22 LEU 51 HD22 LEU 51 -11.069 -2.683 2.929
208 HD23 LEU 51 HD23 LEU 51 -12.070 -1.827 1.756
209 H HIS 52 HN HIS 52 -12.088 3.353 1.305
210 HA HIS 52 HA HIS 52 -14.801 4.190 1.918
211 HB2 HIS 52 HB2 HIS 52 -12.363 5.859 1.268
212 HB3 HIS 52 HB1 HIS 52 -13.891 6.457 1.906
213 HD1 HIS 52 HD1 HIS 52 -10.735 4.772 2.910
214 HD2 HIS 52 HD2 HIS 52 -14.334 5.907 4.647
215 HE1 HIS 52 HE1 HIS 52 -10.372 4.581 5.390
216 HE2 HIS 52 HE2 HIS 52 -12.589 5.196 6.419
217 H PHE 53 HN PHE 53 -13.374 3.088 -0.785
218 HA PHE 53 HA PHE 53 -14.444 5.059 -2.637
219 HB2 PHE 53 HB2 PHE 53 -12.495 2.904 -2.761
220 HB3 PHE 53 HB1 PHE 53 -13.613 2.853 -4.120
221 HD1 PHE 53 HD1 PHE 53 -11.375 5.167 -2.260
222 HD2 PHE 53 HD2 PHE 53 -13.256 4.222 -5.958
223 HE1 PHE 53 HE1 PHE 53 -10.092 6.952 -3.364
224 HE2 PHE 53 HE2 PHE 53 -11.977 6.004 -7.070
225 HZ PHE 53 HZ PHE 53 -10.399 7.369 -5.786
226 H GLY 54 HN GLY 54 -15.478 2.231 -1.068
227 HA2 GLY 54 HA2 GLY 54 -17.601 1.288 -1.116
228 HA3 GLY 54 HA1 GLY 54 -17.983 2.288 -2.510
229 H VAL 55 HN VAL 55 -15.096 0.825 -3.149
230 HA VAL 55 HA VAL 55 -16.358 -1.069 -4.944
231 HB VAL 55 HB VAL 55 -14.006 -1.499 -5.718
232 HG11 VAL 55 HG11 VAL 55 -15.448 0.089 -6.865
233 HG12 VAL 55 HG12 VAL 55 -13.780 0.662 -6.859
234 HG13 VAL 55 HG13 VAL 55 -14.958 1.363 -5.749
235 HG21 VAL 55 HG21 VAL 55 -13.366 0.772 -3.837
236 HG22 VAL 55 HG22 VAL 55 -12.257 0.055 -5.006
237 HG23 VAL 55 HG23 VAL 55 -12.850 -0.903 -3.650
238 H ILE 56 HN ILE 56 -15.023 -1.109 -1.826
239 HA ILE 56 HA ILE 56 -14.864 -4.046 -1.905
240 HB ILE 56 HB ILE 56 -13.149 -2.231 -0.213
241 HG12 ILE 56 HG12 ILE 56 -12.467 -2.187 -2.567
242 HG13 ILE 56 HG11 ILE 56 -11.277 -3.036 -1.589
243 HG21 ILE 56 HG21 ILE 56 -13.179 -5.233 -0.489
244 HG22 ILE 56 HG22 ILE 56 -13.664 -4.301 0.928
245 HG23 ILE 56 HG23 ILE 56 -11.978 -4.305 0.409
246 HD11 ILE 56 HD11 ILE 56 -13.371 -4.336 -3.316
247 HD12 ILE 56 HD12 ILE 56 -12.143 -5.169 -2.365
248 HD13 ILE 56 HD13 ILE 56 -11.665 -4.148 -3.720
249 H GLY 57 HN GLY 57 -14.721 -1.622 0.659
250 HA2 GLY 57 HA2 GLY 57 -16.176 -1.193 2.410
251 HA3 GLY 57 HA1 GLY 57 -17.333 -2.283 1.662
252 HA PRO 58 HA PRO 58 -15.645 -4.341 5.483
253 HB2 PRO 58 HB2 PRO 58 -18.032 -5.098 6.503
254 HB3 PRO 58 HB1 PRO 58 -17.343 -3.495 6.792
255 HG2 PRO 58 HG2 PRO 58 -19.428 -4.328 4.809
256 HG3 PRO 58 HG1 PRO 58 -19.401 -2.907 5.871
257 HD2 PRO 58 HD2 PRO 58 -18.716 -2.786 3.252
258 HD3 PRO 58 HD1 PRO 58 -17.974 -1.742 4.483
259 H GLN 59 HN GLN 59 -17.228 -5.186 2.678
260 HA GLN 59 HA GLN 59 -17.548 -7.121 1.535
261 HB2 GLN 59 HB2 GLN 59 -15.112 -7.353 2.344
262 HB3 GLN 59 HB1 GLN 59 -15.750 -8.490 3.523
263 HG2 GLN 59 HG2 GLN 59 -16.604 -9.895 1.738
264 HG3 GLN 59 HG1 GLN 59 -16.028 -8.741 0.537
265 HE21 GLN 59 HE21 GLN 59 -14.689 -10.223 -0.454
266 HE22 GLN 59 HE22 GLN 59 -13.233 -10.799 0.276
267 H ARG 60 HN ARG 60 -19.038 -6.485 4.139
268 HA ARG 60 HA ARG 60 -20.316 -9.123 4.382
269 HB2 ARG 60 HB2 ARG 60 -19.633 -7.208 6.616
270 HB3 ARG 60 HB1 ARG 60 -20.759 -8.545 6.799
271 HG2 ARG 60 HG2 ARG 60 -17.880 -8.855 5.976
272 HG3 ARG 60 HG1 ARG 60 -18.473 -9.023 7.629
273 HD2 ARG 60 HD2 ARG 60 -19.954 -10.841 6.894
274 HD3 ARG 60 HD1 ARG 60 -19.313 -10.687 5.258
275 HE ARG 60 HE ARG 60 -17.126 -11.087 6.879
276 HH11 ARG 60 HH11 ARG 60 -20.056 -12.818 6.123
277 HH12 ARG 60 HH12 ARG 60 -19.355 -14.379 6.391
278 HH21 ARG 60 HH21 ARG 60 -16.197 -13.139 7.235
279 HH22 ARG 60 HH22 ARG 60 -17.162 -14.561 7.024
Start of MODEL 17
1 H1 ARG 28 HT1 ARG 28 27.000 4.571 2.445
2 H2 ARG 28 HT2 ARG 28 26.209 4.524 0.951
3 H3 ARG 28 HT3 ARG 28 25.907 3.327 2.105
4 HA ARG 28 HA ARG 28 24.884 4.899 3.571
5 HB2 ARG 28 HB2 ARG 28 26.265 6.834 2.929
6 HB3 ARG 28 HB1 ARG 28 25.451 6.898 1.372
7 HG2 ARG 28 HG2 ARG 28 23.454 6.952 3.375
8 HG3 ARG 28 HG1 ARG 28 24.701 8.115 3.826
9 HD2 ARG 28 HD2 ARG 28 24.564 9.010 1.478
10 HD3 ARG 28 HD1 ARG 28 23.146 7.985 1.249
11 HE ARG 28 HE ARG 28 22.317 9.299 3.330
12 HH11 ARG 28 HH11 ARG 28 24.225 10.562 0.699
13 HH12 ARG 28 HH12 ARG 28 23.590 12.167 0.840
14 HH21 ARG 28 HH21 ARG 28 21.476 11.411 3.519
15 HH22 ARG 28 HH22 ARG 28 22.029 12.649 2.442
16 H ARG 29 HN ARG 29 23.201 3.476 3.155
17 HA ARG 29 HA ARG 29 21.814 3.224 0.742
18 HB2 ARG 29 HB2 ARG 29 20.763 2.846 3.556
19 HB3 ARG 29 HB1 ARG 29 20.023 2.212 2.091
20 HG2 ARG 29 HG2 ARG 29 21.640 0.606 1.802
21 HG3 ARG 29 HG1 ARG 29 22.851 1.507 2.714
22 HD2 ARG 29 HD2 ARG 29 22.175 -0.399 4.005
23 HD3 ARG 29 HD1 ARG 29 21.552 1.058 4.779
24 HE ARG 29 HE ARG 29 19.538 0.154 3.130
25 HH11 ARG 29 HH11 ARG 29 21.343 -1.081 5.841
26 HH12 ARG 29 HH12 ARG 29 20.046 -2.073 6.419
27 HH21 ARG 29 HH21 ARG 29 17.824 -1.148 3.883
28 HH22 ARG 29 HH22 ARG 29 18.046 -2.111 5.306
29 H CYS 30 HN CYS 30 20.640 4.665 -0.325
30 HA CYS 30 HA CYS 30 19.597 6.987 1.115
31 HB2 CYS 30 HB2 CYS 30 19.957 6.540 -1.853
32 HB3 CYS 30 HB1 CYS 30 19.416 8.038 -1.104
33 HG CYS 30 HG CYS 30 21.950 8.661 -1.718
34 H LEU 31 HN LEU 31 17.817 7.598 -1.151
35 HA LEU 31 HA LEU 31 15.376 6.962 -0.190
36 HB2 LEU 31 HB2 LEU 31 16.019 7.153 -3.125
37 HB3 LEU 31 HB1 LEU 31 14.480 7.496 -2.357
38 HG LEU 31 HG LEU 31 16.071 9.238 -1.031
39 HD11 LEU 31 HD11 LEU 31 17.365 8.669 -3.652
40 HD12 LEU 31 HD12 LEU 31 18.093 9.080 -2.097
41 HD13 LEU 31 HD13 LEU 31 17.317 10.332 -3.068
42 HD21 LEU 31 HD21 LEU 31 13.938 9.716 -2.097
43 HD22 LEU 31 HD22 LEU 31 14.718 9.706 -3.679
44 HD23 LEU 31 HD23 LEU 31 15.139 10.943 -2.495
45 H PHE 32 HN PHE 32 17.451 4.843 -2.023
46 HA PHE 32 HA PHE 32 15.666 2.986 -3.027
47 HB2 PHE 32 HB2 PHE 32 18.381 2.455 -1.800
48 HB3 PHE 32 HB1 PHE 32 17.501 1.337 -2.836
49 HD1 PHE 32 HD1 PHE 32 17.197 1.834 -5.219
50 HD2 PHE 32 HD2 PHE 32 19.558 4.322 -2.698
51 HE1 PHE 32 HE1 PHE 32 18.225 2.865 -7.204
52 HE2 PHE 32 HE2 PHE 32 20.590 5.355 -4.678
53 HZ PHE 32 HZ PHE 32 19.929 4.623 -6.935
54 H LEU 33 HN LEU 33 16.354 3.740 0.213
55 HA LEU 33 HA LEU 33 15.769 1.290 1.488
56 HB2 LEU 33 HB2 LEU 33 16.684 3.740 2.281
57 HB3 LEU 33 HB1 LEU 33 15.041 3.780 2.893
58 HG LEU 33 HG LEU 33 16.515 3.015 4.633
59 HD11 LEU 33 HD11 LEU 33 14.303 2.001 4.562
60 HD12 LEU 33 HD12 LEU 33 15.502 0.864 5.180
61 HD13 LEU 33 HD13 LEU 33 14.915 0.714 3.524
62 HD21 LEU 33 HD21 LEU 33 17.858 0.996 4.410
63 HD22 LEU 33 HD22 LEU 33 18.332 2.206 3.217
64 HD23 LEU 33 HD23 LEU 33 17.343 0.828 2.731
65 H SER 34 HN SER 34 13.760 4.175 0.894
66 HA SER 34 HA SER 34 11.382 3.116 1.966
67 HB2 SER 34 HB2 SER 34 11.682 5.518 1.608
68 HB3 SER 34 HB1 SER 34 11.755 5.265 -0.136
69 HG SER 34 HG SER 34 9.536 4.693 1.541
70 H LEU 35 HN LEU 35 13.001 2.570 -0.998
71 HA LEU 35 HA LEU 35 10.888 1.863 -2.695
72 HB2 LEU 35 HB2 LEU 35 13.481 2.118 -3.075
73 HB3 LEU 35 HB1 LEU 35 13.499 0.397 -2.755
74 HG LEU 35 HG LEU 35 12.314 1.865 -5.079
75 HD11 LEU 35 HD11 LEU 35 13.487 -0.182 -6.155
76 HD12 LEU 35 HD12 LEU 35 14.285 -0.317 -4.584
77 HD13 LEU 35 HD13 LEU 35 14.458 1.157 -5.540
78 HD21 LEU 35 HD21 LEU 35 11.234 -0.252 -5.776
79 HD22 LEU 35 HD22 LEU 35 10.490 0.457 -4.344
80 HD23 LEU 35 HD23 LEU 35 11.576 -0.922 -4.181
81 H PHE 36 HN PHE 36 13.021 -0.292 -0.827
82 HA PHE 36 HA PHE 36 11.561 -2.639 -1.292
83 HB2 PHE 36 HB2 PHE 36 13.955 -2.374 -0.427
84 HB3 PHE 36 HB1 PHE 36 13.234 -2.134 1.162
85 HD1 PHE 36 HD1 PHE 36 13.701 -4.542 -1.582
86 HD2 PHE 36 HD2 PHE 36 12.355 -3.952 2.412
87 HE1 PHE 36 HE1 PHE 36 13.600 -6.979 -1.260
88 HE2 PHE 36 HE2 PHE 36 12.253 -6.388 2.742
89 HZ PHE 36 HZ PHE 36 12.877 -7.905 0.906
90 H SER 37 HN SER 37 10.981 -0.018 0.853
91 HA SER 37 HA SER 37 9.203 -1.591 2.552
92 HB2 SER 37 HB2 SER 37 10.655 0.025 3.666
93 HB3 SER 37 HB1 SER 37 9.994 1.329 2.680
94 HG SER 37 HG SER 37 8.205 1.327 3.841
95 H PHE 38 HN PHE 38 9.072 0.230 -0.280
96 HA PHE 38 HA PHE 38 6.462 1.346 0.016
97 HB2 PHE 38 HB2 PHE 38 8.181 2.227 -1.560
98 HB3 PHE 38 HB1 PHE 38 7.990 0.771 -2.531
99 HD1 PHE 38 HD1 PHE 38 6.093 0.470 -3.955
100 HD2 PHE 38 HD2 PHE 38 6.387 3.882 -1.430
101 HE1 PHE 38 HE1 PHE 38 4.247 1.535 -5.185
102 HE2 PHE 38 HE2 PHE 38 4.542 4.953 -2.654
103 HZ PHE 38 HZ PHE 38 3.469 3.779 -4.535
104 H LEU 39 HN LEU 39 7.763 -1.602 -1.425
105 HA LEU 39 HA LEU 39 5.408 -2.512 -2.648
106 HB2 LEU 39 HB2 LEU 39 7.842 -3.930 -1.600
107 HB3 LEU 39 HB1 LEU 39 6.516 -4.810 -2.337
108 HG LEU 39 HG LEU 39 6.885 -3.240 -4.356
109 HD11 LEU 39 HD11 LEU 39 8.307 -1.593 -3.601
110 HD12 LEU 39 HD12 LEU 39 9.427 -2.688 -4.414
111 HD13 LEU 39 HD13 LEU 39 9.275 -2.723 -2.655
112 HD21 LEU 39 HD21 LEU 39 7.388 -5.637 -4.355
113 HD22 LEU 39 HD22 LEU 39 8.959 -5.308 -3.626
114 HD23 LEU 39 HD23 LEU 39 8.602 -4.726 -5.252
115 H ILE 40 HN ILE 40 6.484 -2.606 0.660
116 HA ILE 40 HA ILE 40 4.510 -4.553 1.476
117 HB ILE 40 HB ILE 40 6.289 -2.797 3.173
118 HG12 ILE 40 HG12 ILE 40 6.638 -5.715 2.473
119 HG13 ILE 40 HG11 ILE 40 7.448 -4.412 1.609
120 HG21 ILE 40 HG21 ILE 40 4.678 -5.246 3.884
121 HG22 ILE 40 HG22 ILE 40 4.335 -3.591 4.388
122 HG23 ILE 40 HG23 ILE 40 5.793 -4.401 4.959
123 HD11 ILE 40 HD11 ILE 40 7.746 -5.015 4.542
124 HD12 ILE 40 HD12 ILE 40 8.588 -3.748 3.647
125 HD13 ILE 40 HD13 ILE 40 8.896 -5.445 3.275
126 H VAL 41 HN VAL 41 5.083 -1.099 2.160
127 HA VAL 41 HA VAL 41 2.715 -0.665 3.596
128 HB VAL 41 HB VAL 41 4.723 0.876 3.471
129 HG11 VAL 41 HG11 VAL 41 4.847 0.954 1.002
130 HG12 VAL 41 HG12 VAL 41 4.791 2.554 1.741
131 HG13 VAL 41 HG13 VAL 41 3.347 1.881 0.984
132 HG21 VAL 41 HG21 VAL 41 1.978 2.069 3.105
133 HG22 VAL 41 HG22 VAL 41 3.373 2.905 3.786
134 HG23 VAL 41 HG23 VAL 41 2.685 1.512 4.622
135 H ALA 42 HN ALA 42 3.279 -1.013 0.221
136 HA ALA 42 HA ALA 42 1.267 0.471 -0.947
137 HB1 ALA 42 HB1 ALA 42 2.158 -2.290 -1.771
138 HB2 ALA 42 HB2 ALA 42 2.973 -0.784 -2.193
139 HB3 ALA 42 HB3 ALA 42 1.345 -1.103 -2.791
140 H GLY 43 HN GLY 43 1.047 -2.830 0.366
141 HA2 GLY 43 HA2 GLY 43 -1.712 -3.151 -0.240
142 HA3 GLY 43 HA1 GLY 43 -0.777 -4.137 0.874
143 H ALA 44 HN ALA 44 -0.041 -1.586 2.349
144 HA ALA 44 HA ALA 44 -2.297 -1.656 4.156
145 HB1 ALA 44 HB1 ALA 44 0.016 -1.696 5.000
146 HB2 ALA 44 HB2 ALA 44 -0.911 -0.343 5.646
147 HB3 ALA 44 HB3 ALA 44 0.263 -0.073 4.356
148 H THR 45 HN THR 45 -0.978 0.478 1.749
149 HA THR 45 HA THR 45 -2.527 2.765 2.593
150 HB THR 45 HB THR 45 -1.676 3.845 0.546
151 HG1 THR 45 HG1 THR 45 -0.348 1.361 0.091
152 HG21 THR 45 HG21 THR 45 -0.322 3.875 2.601
153 HG22 THR 45 HG22 THR 45 0.684 3.871 1.153
154 HG23 THR 45 HG23 THR 45 0.477 2.389 2.085
155 H THR 46 HN THR 46 -2.855 0.110 0.380
156 HA THR 46 HA THR 46 -4.976 1.282 -1.164
157 HB THR 46 HB THR 46 -4.167 -1.626 -0.968
158 HG1 THR 46 HG1 THR 46 -3.413 -0.361 -3.234
159 HG21 THR 46 HG21 THR 46 -6.397 -1.287 -1.927
160 HG22 THR 46 HG22 THR 46 -5.253 -1.831 -3.154
161 HG23 THR 46 HG23 THR 46 -5.728 -0.134 -3.083
162 H LEU 47 HN LEU 47 -4.787 -1.190 1.387
163 HA LEU 47 HA LEU 47 -7.447 -1.920 1.520
164 HB2 LEU 47 HB2 LEU 47 -5.367 -2.763 2.829
165 HB3 LEU 47 HB1 LEU 47 -5.800 -1.538 4.002
166 HG LEU 47 HG LEU 47 -6.598 -3.838 4.553
167 HD11 LEU 47 HD11 LEU 47 -8.868 -1.911 4.132
168 HD12 LEU 47 HD12 LEU 47 -7.666 -1.743 5.410
169 HD13 LEU 47 HD13 LEU 47 -8.720 -3.156 5.370
170 HD21 LEU 47 HD21 LEU 47 -8.506 -4.750 3.359
171 HD22 LEU 47 HD22 LEU 47 -7.126 -4.563 2.275
172 HD23 LEU 47 HD23 LEU 47 -8.455 -3.406 2.219
173 H PHE 48 HN PHE 48 -5.859 0.929 2.823
174 HA PHE 48 HA PHE 48 -8.217 1.811 4.245
175 HB2 PHE 48 HB2 PHE 48 -6.002 2.262 5.171
176 HB3 PHE 48 HB1 PHE 48 -5.572 3.183 3.733
177 HD1 PHE 48 HD1 PHE 48 -6.247 5.442 3.471
178 HD2 PHE 48 HD2 PHE 48 -7.705 3.136 6.738
179 HE1 PHE 48 HE1 PHE 48 -7.120 7.488 4.521
180 HE2 PHE 48 HE2 PHE 48 -8.581 5.178 7.794
181 HZ PHE 48 HZ PHE 48 -8.279 7.360 6.690
182 H CYS 49 HN CYS 49 -6.241 3.260 1.652
183 HA CYS 49 HA CYS 49 -7.920 5.357 1.006
184 HB2 CYS 49 HB2 CYS 49 -5.626 5.134 0.164
185 HB3 CYS 49 HB1 CYS 49 -6.131 3.801 -0.869
186 HG CYS 49 HG CYS 49 -7.920 5.455 -2.353
187 H LEU 50 HN LEU 50 -7.902 2.092 -0.404
188 HA LEU 50 HA LEU 50 -9.733 2.380 -2.418
189 HB2 LEU 50 HB2 LEU 50 -8.425 0.298 -1.566
190 HB3 LEU 50 HB1 LEU 50 -9.875 -0.020 -0.633
191 HG LEU 50 HG LEU 50 -11.131 0.115 -2.861
192 HD11 LEU 50 HD11 LEU 50 -9.608 -0.555 -4.789
193 HD12 LEU 50 HD12 LEU 50 -8.279 0.042 -3.791
194 HD13 LEU 50 HD13 LEU 50 -9.573 1.136 -4.284
195 HD21 LEU 50 HD21 LEU 50 -10.591 -2.210 -3.407
196 HD22 LEU 50 HD22 LEU 50 -10.743 -1.976 -1.666
197 HD23 LEU 50 HD23 LEU 50 -9.146 -2.112 -2.401
198 H LEU 51 HN LEU 51 -10.359 2.254 1.023
199 HA LEU 51 HA LEU 51 -13.121 1.748 0.943
200 HB2 LEU 51 HB2 LEU 51 -11.588 3.385 2.963
201 HB3 LEU 51 HB1 LEU 51 -13.180 2.687 3.197
202 HG LEU 51 HG LEU 51 -10.647 1.101 2.769
203 HD11 LEU 51 HD11 LEU 51 -10.655 2.276 4.915
204 HD12 LEU 51 HD12 LEU 51 -10.824 0.533 5.126
205 HD13 LEU 51 HD13 LEU 51 -12.233 1.581 5.287
206 HD21 LEU 51 HD21 LEU 51 -12.650 -0.040 1.958
207 HD22 LEU 51 HD22 LEU 51 -13.433 0.219 3.517
208 HD23 LEU 51 HD23 LEU 51 -12.012 -0.819 3.407
209 H HIS 52 HN HIS 52 -11.479 4.884 1.413
210 HA HIS 52 HA HIS 52 -13.924 6.295 0.751
211 HB2 HIS 52 HB2 HIS 52 -11.186 7.403 1.406
212 HB3 HIS 52 HB1 HIS 52 -12.693 8.311 1.344
213 HD1 HIS 52 HD1 HIS 52 -10.515 6.675 3.668
214 HD2 HIS 52 HD2 HIS 52 -14.621 7.250 3.385
215 HE1 HIS 52 HE1 HIS 52 -11.411 6.276 5.984
216 HE2 HIS 52 HE2 HIS 52 -13.888 6.707 5.805
217 H PHE 53 HN PHE 53 -11.782 4.794 -1.103
218 HA PHE 53 HA PHE 53 -10.914 6.702 -2.979
219 HB2 PHE 53 HB2 PHE 53 -9.991 4.415 -2.807
220 HB3 PHE 53 HB1 PHE 53 -11.508 3.767 -3.420
221 HD1 PHE 53 HD1 PHE 53 -8.487 5.667 -4.269
222 HD2 PHE 53 HD2 PHE 53 -12.056 3.881 -5.749
223 HE1 PHE 53 HE1 PHE 53 -7.647 5.901 -6.569
224 HE2 PHE 53 HE2 PHE 53 -11.222 4.112 -8.052
225 HZ PHE 53 HZ PHE 53 -9.015 5.123 -8.465
226 H GLY 54 HN GLY 54 -13.967 5.119 -2.511
227 HA2 GLY 54 HA2 GLY 54 -16.013 5.831 -3.404
228 HA3 GLY 54 HA1 GLY 54 -15.137 6.778 -4.597
229 H VAL 55 HN VAL 55 -14.353 3.438 -4.032
230 HA VAL 55 HA VAL 55 -14.461 2.646 -6.672
231 HB VAL 55 HB VAL 55 -14.692 0.298 -5.782
232 HG11 VAL 55 HG11 VAL 55 -12.592 2.056 -4.516
233 HG12 VAL 55 HG12 VAL 55 -12.516 1.338 -6.125
234 HG13 VAL 55 HG13 VAL 55 -12.496 0.304 -4.697
235 HG21 VAL 55 HG21 VAL 55 -14.680 1.713 -3.116
236 HG22 VAL 55 HG22 VAL 55 -14.580 -0.030 -3.371
237 HG23 VAL 55 HG23 VAL 55 -16.048 0.843 -3.810
238 H ILE 56 HN ILE 56 -17.038 2.658 -4.271
239 HA ILE 56 HA ILE 56 -18.932 1.941 -6.412
240 HB ILE 56 HB ILE 56 -19.317 1.333 -3.486
241 HG12 ILE 56 HG12 ILE 56 -17.475 -0.021 -4.388
242 HG13 ILE 56 HG11 ILE 56 -18.887 -1.017 -4.055
243 HG21 ILE 56 HG21 ILE 56 -21.392 1.619 -4.669
244 HG22 ILE 56 HG22 ILE 56 -21.154 -0.095 -4.328
245 HG23 ILE 56 HG23 ILE 56 -20.855 0.533 -5.950
246 HD11 ILE 56 HD11 ILE 56 -19.446 -1.038 -6.419
247 HD12 ILE 56 HD12 ILE 56 -17.809 -1.637 -6.149
248 HD13 ILE 56 HD13 ILE 56 -18.060 -0.004 -6.766
249 H GLY 57 HN GLY 57 -19.476 4.020 -6.950
250 HA2 GLY 57 HA2 GLY 57 -21.418 5.307 -5.305
251 HA3 GLY 57 HA1 GLY 57 -19.899 6.191 -5.301
252 HA PRO 58 HA PRO 58 -20.729 8.179 -9.146
253 HB2 PRO 58 HB2 PRO 58 -18.442 6.870 -10.499
254 HB3 PRO 58 HB1 PRO 58 -18.763 8.587 -10.241
255 HG2 PRO 58 HG2 PRO 58 -16.871 7.318 -8.850
256 HG3 PRO 58 HG1 PRO 58 -17.881 8.568 -8.100
257 HD2 PRO 58 HD2 PRO 58 -18.062 5.590 -7.868
258 HD3 PRO 58 HD1 PRO 58 -18.286 6.834 -6.620
259 H GLN 59 HN GLN 59 -20.378 4.753 -9.131
260 HA GLN 59 HA GLN 59 -21.206 4.262 -11.819
261 HB2 GLN 59 HB2 GLN 59 -21.361 2.401 -9.441
262 HB3 GLN 59 HB1 GLN 59 -21.395 1.944 -11.139
263 HG2 GLN 59 HG2 GLN 59 -19.058 3.332 -9.862
264 HG3 GLN 59 HG1 GLN 59 -19.220 1.578 -9.933
265 HE21 GLN 59 HE21 GLN 59 -17.400 1.330 -11.203
266 HE22 GLN 59 HE22 GLN 59 -17.353 1.792 -12.866
267 H ARG 60 HN ARG 60 -22.841 5.403 -9.145
268 HA ARG 60 HA ARG 60 -25.426 4.439 -10.185
269 HB2 ARG 60 HB2 ARG 60 -24.938 3.586 -7.931
270 HB3 ARG 60 HB1 ARG 60 -24.726 5.231 -7.351
271 HG2 ARG 60 HG2 ARG 60 -27.067 5.712 -7.833
272 HG3 ARG 60 HG1 ARG 60 -27.284 4.066 -8.435
273 HD2 ARG 60 HD2 ARG 60 -26.501 4.845 -5.628
274 HD3 ARG 60 HD1 ARG 60 -28.091 4.282 -6.141
275 HE ARG 60 HE ARG 60 -26.503 2.260 -6.910
276 HH11 ARG 60 HH11 ARG 60 -26.769 3.997 -3.899
277 HH12 ARG 60 HH12 ARG 60 -26.294 2.643 -2.929
278 HH21 ARG 60 HH21 ARG 60 -25.879 0.473 -5.640
279 HH22 ARG 60 HH22 ARG 60 -25.785 0.641 -3.918
Start of MODEL 18
1 H1 ARG 28 HT1 ARG 28 26.447 3.963 1.354
2 H2 ARG 28 HT2 ARG 28 26.426 2.488 2.181
3 H3 ARG 28 HT3 ARG 28 27.251 3.811 2.835
4 HA ARG 28 HA ARG 28 25.166 3.468 3.980
5 HB2 ARG 28 HB2 ARG 28 24.366 5.720 3.876
6 HB3 ARG 28 HB1 ARG 28 26.101 5.778 3.598
7 HG2 ARG 28 HG2 ARG 28 25.875 6.517 1.477
8 HG3 ARG 28 HG1 ARG 28 24.412 5.579 1.186
9 HD2 ARG 28 HD2 ARG 28 24.670 8.205 2.636
10 HD3 ARG 28 HD1 ARG 28 23.796 7.876 1.139
11 HE ARG 28 HE ARG 28 22.848 6.387 3.419
12 HH11 ARG 28 HH11 ARG 28 22.582 9.337 1.583
13 HH12 ARG 28 HH12 ARG 28 20.977 9.687 2.132
14 HH21 ARG 28 HH21 ARG 28 20.731 6.845 4.150
15 HH22 ARG 28 HH22 ARG 28 19.927 8.272 3.590
16 H ARG 29 HN ARG 29 22.812 3.701 3.882
17 HA ARG 29 HA ARG 29 21.761 2.664 1.340
18 HB2 ARG 29 HB2 ARG 29 20.406 2.614 4.040
19 HB3 ARG 29 HB1 ARG 29 19.956 1.709 2.599
20 HG2 ARG 29 HG2 ARG 29 22.017 0.414 2.760
21 HG3 ARG 29 HG1 ARG 29 22.479 1.326 4.198
22 HD2 ARG 29 HD2 ARG 29 20.362 0.531 5.271
23 HD3 ARG 29 HD1 ARG 29 20.121 -0.520 3.877
24 HE ARG 29 HE ARG 29 22.590 -0.742 5.443
25 HH11 ARG 29 HH11 ARG 29 19.587 -2.105 4.324
26 HH12 ARG 29 HH12 ARG 29 19.964 -3.707 4.864
27 HH21 ARG 29 HH21 ARG 29 23.096 -2.847 6.156
28 HH22 ARG 29 HH22 ARG 29 21.961 -4.128 5.903
29 H CYS 30 HN CYS 30 20.718 4.075 0.107
30 HA CYS 30 HA CYS 30 19.683 6.516 1.336
31 HB2 CYS 30 HB2 CYS 30 19.612 7.363 -1.030
32 HB3 CYS 30 HB1 CYS 30 21.218 6.957 -0.437
33 HG CYS 30 HG CYS 30 21.006 4.331 -1.717
34 H LEU 31 HN LEU 31 18.051 7.019 -1.087
35 HA LEU 31 HA LEU 31 15.561 6.518 -0.200
36 HB2 LEU 31 HB2 LEU 31 14.878 6.534 -2.698
37 HB3 LEU 31 HB1 LEU 31 15.579 7.959 -1.968
38 HG LEU 31 HG LEU 31 16.354 7.318 -4.315
39 HD11 LEU 31 HD11 LEU 31 17.567 8.724 -2.358
40 HD12 LEU 31 HD12 LEU 31 18.204 8.540 -3.991
41 HD13 LEU 31 HD13 LEU 31 18.798 7.504 -2.694
42 HD21 LEU 31 HD21 LEU 31 17.922 5.279 -2.751
43 HD22 LEU 31 HD22 LEU 31 18.173 5.696 -4.447
44 HD23 LEU 31 HD23 LEU 31 16.663 4.939 -3.938
45 H PHE 32 HN PHE 32 17.638 4.107 -1.538
46 HA PHE 32 HA PHE 32 15.745 2.282 -2.505
47 HB2 PHE 32 HB2 PHE 32 18.449 1.806 -1.240
48 HB3 PHE 32 HB1 PHE 32 17.493 0.540 -2.001
49 HD1 PHE 32 HD1 PHE 32 16.628 1.253 -4.451
50 HD2 PHE 32 HD2 PHE 32 20.113 2.732 -2.506
51 HE1 PHE 32 HE1 PHE 32 17.601 1.827 -6.637
52 HE2 PHE 32 HE2 PHE 32 21.090 3.309 -4.688
53 HZ PHE 32 HZ PHE 32 19.831 2.866 -6.757
54 H LEU 33 HN LEU 33 16.421 3.304 0.666
55 HA LEU 33 HA LEU 33 15.659 1.018 2.136
56 HB2 LEU 33 HB2 LEU 33 16.687 3.487 2.738
57 HB3 LEU 33 HB1 LEU 33 15.042 3.633 3.330
58 HG LEU 33 HG LEU 33 16.480 2.935 5.132
59 HD11 LEU 33 HD11 LEU 33 14.221 2.019 5.109
60 HD12 LEU 33 HD12 LEU 33 15.363 0.883 5.827
61 HD13 LEU 33 HD13 LEU 33 14.787 0.631 4.179
62 HD21 LEU 33 HD21 LEU 33 17.727 0.842 5.062
63 HD22 LEU 33 HD22 LEU 33 18.264 1.946 3.794
64 HD23 LEU 33 HD23 LEU 33 17.215 0.586 3.394
65 H SER 34 HN SER 34 13.874 3.914 1.121
66 HA SER 34 HA SER 34 11.375 2.917 2.143
67 HB2 SER 34 HB2 SER 34 10.412 4.946 1.117
68 HB3 SER 34 HB1 SER 34 11.818 5.326 2.111
69 HG SER 34 HG SER 34 12.343 4.799 -0.552
70 H LEU 35 HN LEU 35 13.107 2.834 -0.853
71 HA LEU 35 HA LEU 35 10.995 2.338 -2.634
72 HB2 LEU 35 HB2 LEU 35 13.339 2.903 -3.272
73 HB3 LEU 35 HB1 LEU 35 13.830 1.297 -2.773
74 HG LEU 35 HG LEU 35 13.484 1.768 -5.280
75 HD11 LEU 35 HD11 LEU 35 13.691 -0.450 -3.949
76 HD12 LEU 35 HD12 LEU 35 13.174 -0.476 -5.636
77 HD13 LEU 35 HD13 LEU 35 11.982 -0.629 -4.344
78 HD21 LEU 35 HD21 LEU 35 11.242 1.432 -6.122
79 HD22 LEU 35 HD22 LEU 35 11.272 2.830 -5.047
80 HD23 LEU 35 HD23 LEU 35 10.613 1.295 -4.479
81 H PHE 36 HN PHE 36 12.748 0.262 -0.428
82 HA PHE 36 HA PHE 36 11.614 -2.171 -1.486
83 HB2 PHE 36 HB2 PHE 36 13.862 -2.131 -0.451
84 HB3 PHE 36 HB1 PHE 36 13.128 -1.709 1.093
85 HD1 PHE 36 HD1 PHE 36 13.043 -4.325 -1.549
86 HD2 PHE 36 HD2 PHE 36 12.526 -3.384 2.569
87 HE1 PHE 36 HE1 PHE 36 12.760 -6.716 -1.043
88 HE2 PHE 36 HE2 PHE 36 12.242 -5.774 3.082
89 HZ PHE 36 HZ PHE 36 12.360 -7.442 1.276
90 H SER 37 HN SER 37 11.058 -0.042 1.276
91 HA SER 37 HA SER 37 9.005 -1.735 2.383
92 HB2 SER 37 HB2 SER 37 8.673 0.105 3.996
93 HB3 SER 37 HB1 SER 37 10.374 -0.342 3.867
94 HG SER 37 HG SER 37 9.174 1.807 2.458
95 H PHE 38 HN PHE 38 9.099 0.159 -0.275
96 HA PHE 38 HA PHE 38 6.561 1.490 -0.045
97 HB2 PHE 38 HB2 PHE 38 8.394 2.378 -1.457
98 HB3 PHE 38 HB1 PHE 38 8.255 0.967 -2.500
99 HD1 PHE 38 HD1 PHE 38 6.737 0.937 -4.266
100 HD2 PHE 38 HD2 PHE 38 6.385 3.910 -1.243
101 HE1 PHE 38 HE1 PHE 38 5.034 2.095 -5.611
102 HE2 PHE 38 HE2 PHE 38 4.680 5.075 -2.581
103 HZ PHE 38 HZ PHE 38 4.011 4.174 -4.772
104 H LEU 39 HN LEU 39 7.787 -1.445 -1.576
105 HA LEU 39 HA LEU 39 5.379 -2.127 -2.912
106 HB2 LEU 39 HB2 LEU 39 7.829 -3.676 -2.127
107 HB3 LEU 39 HB1 LEU 39 6.461 -4.469 -2.887
108 HG LEU 39 HG LEU 39 6.758 -2.679 -4.740
109 HD11 LEU 39 HD11 LEU 39 9.285 -2.457 -3.160
110 HD12 LEU 39 HD12 LEU 39 8.263 -1.173 -3.809
111 HD13 LEU 39 HD13 LEU 39 9.268 -2.135 -4.895
112 HD21 LEU 39 HD21 LEU 39 8.793 -4.873 -4.342
113 HD22 LEU 39 HD22 LEU 39 8.400 -4.094 -5.875
114 HD23 LEU 39 HD23 LEU 39 7.186 -5.066 -5.044
115 H ILE 40 HN ILE 40 6.609 -2.703 0.308
116 HA ILE 40 HA ILE 40 4.605 -4.660 0.973
117 HB ILE 40 HB ILE 40 6.452 -3.119 2.802
118 HG12 ILE 40 HG12 ILE 40 6.732 -5.937 1.740
119 HG13 ILE 40 HG11 ILE 40 7.587 -4.546 1.076
120 HG21 ILE 40 HG21 ILE 40 5.963 -4.868 4.432
121 HG22 ILE 40 HG22 ILE 40 4.854 -5.631 3.292
122 HG23 ILE 40 HG23 ILE 40 4.488 -4.034 3.945
123 HD11 ILE 40 HD11 ILE 40 9.011 -5.811 2.569
124 HD12 ILE 40 HD12 ILE 40 7.843 -5.618 3.877
125 HD13 ILE 40 HD13 ILE 40 8.688 -4.210 3.234
126 H VAL 41 HN VAL 41 5.228 -1.273 1.905
127 HA VAL 41 HA VAL 41 2.920 -0.970 3.482
128 HB VAL 41 HB VAL 41 4.951 0.576 3.386
129 HG11 VAL 41 HG11 VAL 41 4.891 2.431 1.854
130 HG12 VAL 41 HG12 VAL 41 3.387 1.845 1.143
131 HG13 VAL 41 HG13 VAL 41 4.878 0.926 0.934
132 HG21 VAL 41 HG21 VAL 41 2.192 1.794 3.350
133 HG22 VAL 41 HG22 VAL 41 3.633 2.530 4.049
134 HG23 VAL 41 HG23 VAL 41 2.980 1.045 4.739
135 H ALA 42 HN ALA 42 3.369 -1.007 0.067
136 HA ALA 42 HA ALA 42 1.256 0.557 -0.836
137 HB1 ALA 42 HB1 ALA 42 2.301 -2.003 -2.043
138 HB2 ALA 42 HB2 ALA 42 2.948 -0.385 -2.321
139 HB3 ALA 42 HB3 ALA 42 1.323 -0.792 -2.872
140 H GLY 43 HN GLY 43 1.267 -2.894 0.033
141 HA2 GLY 43 HA2 GLY 43 -1.448 -3.375 -0.549
142 HA3 GLY 43 HA1 GLY 43 -0.450 -4.335 0.533
143 H ALA 44 HN ALA 44 0.081 -1.825 2.134
144 HA ALA 44 HA ALA 44 -2.175 -2.136 3.912
145 HB1 ALA 44 HB1 ALA 44 0.259 -0.375 4.184
146 HB2 ALA 44 HB2 ALA 44 0.119 -2.028 4.783
147 HB3 ALA 44 HB3 ALA 44 -0.904 -0.757 5.454
148 H THR 45 HN THR 45 -0.766 0.435 1.927
149 HA THR 45 HA THR 45 -2.562 2.472 2.735
150 HB THR 45 HB THR 45 -1.791 3.714 0.771
151 HG1 THR 45 HG1 THR 45 0.028 1.914 -0.137
152 HG21 THR 45 HG21 THR 45 0.577 3.799 1.285
153 HG22 THR 45 HG22 THR 45 0.494 2.218 2.063
154 HG23 THR 45 HG23 THR 45 -0.345 3.597 2.776
155 H THR 46 HN THR 46 -2.787 -0.159 0.521
156 HA THR 46 HA THR 46 -4.792 0.797 -1.203
157 HB THR 46 HB THR 46 -4.314 -2.060 -0.327
158 HG1 THR 46 HG1 THR 46 -2.820 -0.377 -1.808
159 HG21 THR 46 HG21 THR 46 -5.357 -2.648 -2.470
160 HG22 THR 46 HG22 THR 46 -5.679 -0.942 -2.780
161 HG23 THR 46 HG23 THR 46 -6.473 -1.758 -1.434
162 H LEU 47 HN LEU 47 -5.050 -1.222 1.721
163 HA LEU 47 HA LEU 47 -7.822 -1.436 1.808
164 HB2 LEU 47 HB2 LEU 47 -6.129 -2.690 3.190
165 HB3 LEU 47 HB1 LEU 47 -5.981 -1.266 4.195
166 HG LEU 47 HG LEU 47 -7.459 -3.159 5.049
167 HD11 LEU 47 HD11 LEU 47 -8.752 -0.447 4.844
168 HD12 LEU 47 HD12 LEU 47 -7.439 -0.850 5.949
169 HD13 LEU 47 HD13 LEU 47 -8.998 -1.659 6.101
170 HD21 LEU 47 HD21 LEU 47 -9.744 -3.230 4.241
171 HD22 LEU 47 HD22 LEU 47 -8.621 -3.606 2.934
172 HD23 LEU 47 HD23 LEU 47 -9.373 -2.014 3.019
173 H PHE 48 HN PHE 48 -5.701 1.072 3.116
174 HA PHE 48 HA PHE 48 -7.666 2.505 4.535
175 HB2 PHE 48 HB2 PHE 48 -5.271 2.840 4.909
176 HB3 PHE 48 HB1 PHE 48 -5.092 3.491 3.284
177 HD1 PHE 48 HD1 PHE 48 -5.579 5.751 2.809
178 HD2 PHE 48 HD2 PHE 48 -6.577 4.108 6.606
179 HE1 PHE 48 HE1 PHE 48 -6.043 8.013 3.662
180 HE2 PHE 48 HE2 PHE 48 -7.044 6.366 7.465
181 HZ PHE 48 HZ PHE 48 -6.764 8.321 5.998
182 H CYS 49 HN CYS 49 -6.227 3.223 1.348
183 HA CYS 49 HA CYS 49 -8.016 5.322 0.744
184 HB2 CYS 49 HB2 CYS 49 -5.818 5.072 -0.334
185 HB3 CYS 49 HB1 CYS 49 -6.385 3.615 -1.144
186 HG CYS 49 HG CYS 49 -6.475 6.621 -2.261
187 H LEU 50 HN LEU 50 -8.301 1.892 0.491
188 HA LEU 50 HA LEU 50 -10.147 1.632 -1.583
189 HB2 LEU 50 HB2 LEU 50 -8.914 -0.128 -0.033
190 HB3 LEU 50 HB1 LEU 50 -10.432 -0.074 0.844
191 HG LEU 50 HG LEU 50 -11.569 -0.609 -1.367
192 HD11 LEU 50 HD11 LEU 50 -9.966 -1.872 -2.922
193 HD12 LEU 50 HD12 LEU 50 -8.689 -0.959 -2.115
194 HD13 LEU 50 HD13 LEU 50 -9.967 -0.110 -2.985
195 HD21 LEU 50 HD21 LEU 50 -9.665 -2.647 -0.216
196 HD22 LEU 50 HD22 LEU 50 -11.110 -2.992 -1.166
197 HD23 LEU 50 HD23 LEU 50 -11.258 -2.249 0.427
198 H LEU 51 HN LEU 51 -10.524 2.895 1.604
199 HA LEU 51 HA LEU 51 -13.354 2.567 1.796
200 HB2 LEU 51 HB2 LEU 51 -11.583 4.544 3.235
201 HB3 LEU 51 HB1 LEU 51 -13.204 4.067 3.703
202 HG LEU 51 HG LEU 51 -10.802 2.236 3.667
203 HD11 LEU 51 HD11 LEU 51 -10.632 3.948 5.400
204 HD12 LEU 51 HD12 LEU 51 -10.925 2.355 6.098
205 HD13 LEU 51 HD13 LEU 51 -12.241 3.522 5.982
206 HD21 LEU 51 HD21 LEU 51 -12.915 1.070 3.258
207 HD22 LEU 51 HD22 LEU 51 -13.600 1.799 4.709
208 HD23 LEU 51 HD23 LEU 51 -12.253 0.669 4.842
209 H HIS 52 HN HIS 52 -11.215 5.012 0.510
210 HA HIS 52 HA HIS 52 -13.101 7.102 0.281
211 HB2 HIS 52 HB2 HIS 52 -10.591 6.576 -1.322
212 HB3 HIS 52 HB1 HIS 52 -11.493 8.087 -1.324
213 HD1 HIS 52 HD1 HIS 52 -8.517 6.931 -0.032
214 HD2 HIS 52 HD2 HIS 52 -11.775 8.811 1.737
215 HE1 HIS 52 HE1 HIS 52 -7.634 7.953 2.089
216 HE2 HIS 52 HE2 HIS 52 -9.623 9.080 3.148
217 H PHE 53 HN PHE 53 -12.156 4.479 -1.887
218 HA PHE 53 HA PHE 53 -13.554 5.354 -4.163
219 HB2 PHE 53 HB2 PHE 53 -12.737 2.594 -3.259
220 HB3 PHE 53 HB1 PHE 53 -13.494 2.906 -4.816
221 HD1 PHE 53 HD1 PHE 53 -10.453 3.114 -2.862
222 HD2 PHE 53 HD2 PHE 53 -12.316 4.237 -6.518
223 HE1 PHE 53 HE1 PHE 53 -8.247 3.625 -3.825
224 HE2 PHE 53 HE2 PHE 53 -10.114 4.749 -7.488
225 HZ PHE 53 HZ PHE 53 -8.075 4.443 -6.141
226 H GLY 54 HN GLY 54 -14.662 4.032 -1.208
227 HA2 GLY 54 HA2 GLY 54 -16.799 3.681 -0.433
228 HA3 GLY 54 HA1 GLY 54 -17.391 4.389 -1.928
229 H VAL 55 HN VAL 55 -15.242 1.671 -2.051
230 HA VAL 55 HA VAL 55 -16.937 0.125 -3.639
231 HB VAL 55 HB VAL 55 -15.416 -1.767 -3.156
232 HG11 VAL 55 HG11 VAL 55 -13.389 -0.735 -4.081
233 HG12 VAL 55 HG12 VAL 55 -14.047 0.861 -3.719
234 HG13 VAL 55 HG13 VAL 55 -14.847 -0.174 -4.900
235 HG21 VAL 55 HG21 VAL 55 -14.177 0.166 -1.201
236 HG22 VAL 55 HG22 VAL 55 -13.428 -1.339 -1.735
237 HG23 VAL 55 HG23 VAL 55 -14.941 -1.379 -0.829
238 H ILE 56 HN ILE 56 -16.914 0.570 -0.237
239 HA ILE 56 HA ILE 56 -18.685 -1.760 0.113
240 HB ILE 56 HB ILE 56 -17.187 -0.275 2.274
241 HG12 ILE 56 HG12 ILE 56 -15.602 -1.425 0.823
242 HG13 ILE 56 HG11 ILE 56 -15.724 -2.268 2.362
243 HG21 ILE 56 HG21 ILE 56 -17.795 -2.225 3.656
244 HG22 ILE 56 HG22 ILE 56 -18.753 -2.852 2.316
245 HG23 ILE 56 HG23 ILE 56 -19.203 -1.330 3.086
246 HD11 ILE 56 HD11 ILE 56 -17.190 -3.928 1.326
247 HD12 ILE 56 HD12 ILE 56 -15.625 -3.834 0.519
248 HD13 ILE 56 HD13 ILE 56 -17.043 -3.087 -0.216
249 H GLY 57 HN GLY 57 -20.754 -1.182 0.036
250 HA2 GLY 57 HA2 GLY 57 -21.976 0.483 1.900
251 HA3 GLY 57 HA1 GLY 57 -21.693 1.456 0.465
252 HA PRO 58 HA PRO 58 -25.433 -0.230 -1.179
253 HB2 PRO 58 HB2 PRO 58 -25.113 0.157 -3.814
254 HB3 PRO 58 HB1 PRO 58 -25.279 1.513 -2.692
255 HG2 PRO 58 HG2 PRO 58 -22.811 0.382 -3.949
256 HG3 PRO 58 HG1 PRO 58 -23.258 2.077 -3.686
257 HD2 PRO 58 HD2 PRO 58 -21.545 0.655 -2.068
258 HD3 PRO 58 HD1 PRO 58 -22.477 2.068 -1.537
259 H GLN 59 HN GLN 59 -24.846 -2.438 -0.475
260 HA GLN 59 HA GLN 59 -24.000 -4.161 -2.708
261 HB2 GLN 59 HB2 GLN 59 -24.015 -4.764 0.255
262 HB3 GLN 59 HB1 GLN 59 -23.436 -5.838 -1.010
263 HG2 GLN 59 HG2 GLN 59 -21.647 -4.315 -1.544
264 HG3 GLN 59 HG1 GLN 59 -22.264 -3.137 -0.387
265 HE21 GLN 59 HE21 GLN 59 -19.662 -4.474 -0.530
266 HE22 GLN 59 HE22 GLN 59 -19.456 -5.266 0.991
267 H ARG 60 HN ARG 60 -24.984 -6.442 -2.522
268 HA ARG 60 HA ARG 60 -27.882 -6.108 -2.391
269 HB2 ARG 60 HB2 ARG 60 -26.134 -8.264 -3.577
270 HB3 ARG 60 HB1 ARG 60 -27.888 -8.367 -3.522
271 HG2 ARG 60 HG2 ARG 60 -28.071 -6.374 -4.898
272 HG3 ARG 60 HG1 ARG 60 -26.314 -6.209 -4.914
273 HD2 ARG 60 HD2 ARG 60 -27.812 -8.603 -5.970
274 HD3 ARG 60 HD1 ARG 60 -27.255 -7.259 -6.967
275 HE ARG 60 HE ARG 60 -24.974 -7.975 -5.855
276 HH11 ARG 60 HH11 ARG 60 -27.507 -9.988 -7.148
277 HH12 ARG 60 HH12 ARG 60 -26.431 -11.260 -7.621
278 HH21 ARG 60 HH21 ARG 60 -23.549 -9.642 -6.477
279 HH22 ARG 60 HH22 ARG 60 -24.180 -11.064 -7.240
Start of MODEL 19
1 H1 ARG 28 HT1 ARG 28 24.334 -5.813 4.713
2 H2 ARG 28 HT2 ARG 28 25.998 -5.583 4.906
3 H3 ARG 28 HT3 ARG 28 25.324 -5.617 3.356
4 HA ARG 28 HA ARG 28 24.786 -3.569 5.428
5 HB2 ARG 28 HB2 ARG 28 27.056 -3.429 4.454
6 HB3 ARG 28 HB1 ARG 28 26.351 -3.375 2.844
7 HG2 ARG 28 HG2 ARG 28 25.051 -1.315 3.954
8 HG3 ARG 28 HG1 ARG 28 26.534 -1.274 4.909
9 HD2 ARG 28 HD2 ARG 28 27.667 -1.506 2.542
10 HD3 ARG 28 HD1 ARG 28 26.134 -0.826 1.987
11 HE ARG 28 HE ARG 28 26.611 1.049 3.566
12 HH11 ARG 28 HH11 ARG 28 29.195 -0.901 2.272
13 HH12 ARG 28 HH12 ARG 28 30.388 0.345 2.432
14 HH21 ARG 28 HH21 ARG 28 28.178 2.695 3.779
15 HH22 ARG 28 HH22 ARG 28 29.810 2.387 3.288
16 H ARG 29 HN ARG 29 22.630 -3.207 5.213
17 HA ARG 29 HA ARG 29 21.291 -3.379 2.689
18 HB2 ARG 29 HB2 ARG 29 20.255 -1.977 5.153
19 HB3 ARG 29 HB1 ARG 29 19.323 -2.712 3.855
20 HG2 ARG 29 HG2 ARG 29 21.033 -4.208 5.833
21 HG3 ARG 29 HG1 ARG 29 19.278 -4.040 5.913
22 HD2 ARG 29 HD2 ARG 29 19.062 -5.204 3.779
23 HD3 ARG 29 HD1 ARG 29 20.816 -5.348 3.669
24 HE ARG 29 HE ARG 29 20.159 -6.515 6.057
25 HH11 ARG 29 HH11 ARG 29 19.248 -6.995 2.726
26 HH12 ARG 29 HH12 ARG 29 18.964 -8.693 2.916
27 HH21 ARG 29 HH21 ARG 29 19.787 -8.748 6.314
28 HH22 ARG 29 HH22 ARG 29 19.268 -9.689 4.955
29 H CYS 30 HN CYS 30 21.400 -1.902 1.134
30 HA CYS 30 HA CYS 30 22.228 0.816 1.833
31 HB2 CYS 30 HB2 CYS 30 22.175 -0.561 -0.860
32 HB3 CYS 30 HB1 CYS 30 22.798 1.056 -0.550
33 HG CYS 30 HG CYS 30 24.536 -1.550 -0.693
34 H LEU 31 HN LEU 31 21.298 1.779 -0.802
35 HA LEU 31 HA LEU 31 18.977 3.062 -0.108
36 HB2 LEU 31 HB2 LEU 31 19.816 2.282 -2.895
37 HB3 LEU 31 HB1 LEU 31 18.741 3.598 -2.458
38 HG LEU 31 HG LEU 31 20.908 4.315 -1.036
39 HD11 LEU 31 HD11 LEU 31 21.875 2.541 -3.220
40 HD12 LEU 31 HD12 LEU 31 22.528 2.798 -1.600
41 HD13 LEU 31 HD13 LEU 31 22.782 4.007 -2.858
42 HD21 LEU 31 HD21 LEU 31 20.452 4.897 -3.952
43 HD22 LEU 31 HD22 LEU 31 21.382 5.884 -2.824
44 HD23 LEU 31 HD23 LEU 31 19.644 5.686 -2.599
45 H PHE 32 HN PHE 32 19.370 -0.186 -1.225
46 HA PHE 32 HA PHE 32 16.865 -0.721 -2.326
47 HB2 PHE 32 HB2 PHE 32 18.601 -2.557 -0.657
48 HB3 PHE 32 HB1 PHE 32 17.279 -3.072 -1.700
49 HD1 PHE 32 HD1 PHE 32 17.527 -3.121 -4.093
50 HD2 PHE 32 HD2 PHE 32 20.699 -1.775 -1.594
51 HE1 PHE 32 HE1 PHE 32 19.089 -3.295 -5.987
52 HE2 PHE 32 HE2 PHE 32 22.266 -1.945 -3.485
53 HZ PHE 32 HZ PHE 32 21.461 -2.706 -5.685
54 H LEU 33 HN LEU 33 17.759 0.038 0.852
55 HA LEU 33 HA LEU 33 15.846 -1.274 2.400
56 HB2 LEU 33 HB2 LEU 33 17.909 0.280 2.989
57 HB3 LEU 33 HB1 LEU 33 16.667 1.517 3.056
58 HG LEU 33 HG LEU 33 15.445 -0.041 4.688
59 HD11 LEU 33 HD11 LEU 33 18.206 -1.241 4.798
60 HD12 LEU 33 HD12 LEU 33 16.742 -2.047 4.233
61 HD13 LEU 33 HD13 LEU 33 16.892 -1.576 5.927
62 HD21 LEU 33 HD21 LEU 33 16.749 0.801 6.577
63 HD22 LEU 33 HD22 LEU 33 16.515 2.047 5.352
64 HD23 LEU 33 HD23 LEU 33 18.067 1.220 5.483
65 H SER 34 HN SER 34 15.750 1.997 0.997
66 HA SER 34 HA SER 34 13.220 2.737 1.875
67 HB2 SER 34 HB2 SER 34 14.611 3.527 -0.695
68 HB3 SER 34 HB1 SER 34 13.244 4.374 0.027
69 HG SER 34 HG SER 34 15.375 5.246 0.526
70 H LEU 35 HN LEU 35 14.086 1.376 -1.305
71 HA LEU 35 HA LEU 35 11.528 1.193 -2.370
72 HB2 LEU 35 HB2 LEU 35 13.570 -0.943 -2.872
73 HB3 LEU 35 HB1 LEU 35 12.419 -0.234 -3.989
74 HG LEU 35 HG LEU 35 14.552 1.522 -2.882
75 HD11 LEU 35 HD11 LEU 35 15.480 -0.773 -3.637
76 HD12 LEU 35 HD12 LEU 35 16.238 0.706 -4.236
77 HD13 LEU 35 HD13 LEU 35 15.118 -0.192 -5.265
78 HD21 LEU 35 HD21 LEU 35 13.241 1.264 -5.587
79 HD22 LEU 35 HD22 LEU 35 14.387 2.515 -5.106
80 HD23 LEU 35 HD23 LEU 35 12.803 2.426 -4.334
81 H PHE 36 HN PHE 36 13.369 -1.302 -0.648
82 HA PHE 36 HA PHE 36 11.340 -3.246 -0.632
83 HB2 PHE 36 HB2 PHE 36 13.878 -3.449 -0.142
84 HB3 PHE 36 HB1 PHE 36 13.436 -3.033 1.511
85 HD1 PHE 36 HD1 PHE 36 12.946 -5.518 -1.175
86 HD2 PHE 36 HD2 PHE 36 12.463 -4.621 2.957
87 HE1 PHE 36 HE1 PHE 36 12.385 -7.872 -0.733
88 HE2 PHE 36 HE2 PHE 36 11.903 -6.974 3.406
89 HZ PHE 36 HZ PHE 36 11.875 -8.608 1.553
90 H SER 37 HN SER 37 11.429 -0.306 0.902
91 HA SER 37 HA SER 37 9.709 -1.214 3.112
92 HB2 SER 37 HB2 SER 37 11.700 0.020 3.842
93 HB3 SER 37 HB1 SER 37 11.249 1.377 2.809
94 HG SER 37 HG SER 37 9.896 2.016 4.281
95 H PHE 38 HN PHE 38 9.733 0.435 0.139
96 HA PHE 38 HA PHE 38 7.482 2.152 0.636
97 HB2 PHE 38 HB2 PHE 38 9.152 1.446 -1.736
98 HB3 PHE 38 HB1 PHE 38 7.548 2.112 -2.028
99 HD1 PHE 38 HD1 PHE 38 10.923 2.889 -1.515
100 HD2 PHE 38 HD2 PHE 38 6.997 4.292 -0.661
101 HE1 PHE 38 HE1 PHE 38 11.811 5.158 -1.179
102 HE2 PHE 38 HE2 PHE 38 7.877 6.564 -0.326
103 HZ PHE 38 HZ PHE 38 10.287 7.000 -0.585
104 H LEU 39 HN LEU 39 7.982 -1.038 -0.783
105 HA LEU 39 HA LEU 39 5.447 -1.414 -1.897
106 HB2 LEU 39 HB2 LEU 39 7.529 -3.280 -0.825
107 HB3 LEU 39 HB1 LEU 39 5.972 -3.910 -1.334
108 HG LEU 39 HG LEU 39 6.463 -2.694 -3.566
109 HD11 LEU 39 HD11 LEU 39 9.034 -2.752 -3.901
110 HD12 LEU 39 HD12 LEU 39 9.081 -2.586 -2.143
111 HD13 LEU 39 HD13 LEU 39 8.288 -1.354 -3.125
112 HD21 LEU 39 HD21 LEU 39 7.692 -4.631 -4.392
113 HD22 LEU 39 HD22 LEU 39 6.415 -5.130 -3.281
114 HD23 LEU 39 HD23 LEU 39 8.093 -5.097 -2.739
115 H ILE 40 HN ILE 40 6.411 -1.187 1.354
116 HA ILE 40 HA ILE 40 4.376 -2.782 2.546
117 HB ILE 40 HB ILE 40 6.161 -0.603 3.627
118 HG12 ILE 40 HG12 ILE 40 7.188 -2.428 4.879
119 HG13 ILE 40 HG11 ILE 40 6.000 -3.560 4.248
120 HG21 ILE 40 HG21 ILE 40 4.073 -0.454 4.850
121 HG22 ILE 40 HG22 ILE 40 5.326 -1.163 5.871
122 HG23 ILE 40 HG23 ILE 40 4.098 -2.195 5.139
123 HD11 ILE 40 HD11 ILE 40 6.911 -3.328 2.028
124 HD12 ILE 40 HD12 ILE 40 8.200 -3.738 3.161
125 HD13 ILE 40 HD13 ILE 40 8.026 -2.079 2.585
126 H VAL 41 HN VAL 41 4.679 0.649 1.740
127 HA VAL 41 HA VAL 41 2.075 1.265 2.840
128 HB VAL 41 HB VAL 41 4.188 2.819 2.689
129 HG11 VAL 41 HG11 VAL 41 2.821 3.513 0.095
130 HG12 VAL 41 HG12 VAL 41 4.349 2.640 0.219
131 HG13 VAL 41 HG13 VAL 41 4.233 4.299 0.804
132 HG21 VAL 41 HG21 VAL 41 2.733 4.778 2.802
133 HG22 VAL 41 HG22 VAL 41 2.057 3.428 3.715
134 HG23 VAL 41 HG23 VAL 41 1.403 3.836 2.128
135 H ALA 42 HN ALA 42 3.454 0.435 -0.230
136 HA ALA 42 HA ALA 42 1.548 1.498 -1.976
137 HB1 ALA 42 HB1 ALA 42 3.689 0.545 -2.707
138 HB2 ALA 42 HB2 ALA 42 2.327 -0.153 -3.582
139 HB3 ALA 42 HB3 ALA 42 3.107 -1.067 -2.291
140 H GLY 43 HN GLY 43 1.556 -1.487 -0.103
141 HA2 GLY 43 HA2 GLY 43 -0.904 -2.428 -1.304
142 HA3 GLY 43 HA1 GLY 43 -0.023 -3.192 0.010
143 H ALA 44 HN ALA 44 -0.008 -0.471 1.385
144 HA ALA 44 HA ALA 44 -2.463 -0.899 2.846
145 HB1 ALA 44 HB1 ALA 44 -1.611 0.827 4.358
146 HB2 ALA 44 HB2 ALA 44 -0.282 1.147 3.244
147 HB3 ALA 44 HB3 ALA 44 -0.400 -0.417 4.049
148 H THR 45 HN THR 45 -1.230 1.347 0.483
149 HA THR 45 HA THR 45 -3.108 3.426 0.895
150 HB THR 45 HB THR 45 -2.529 4.087 -1.473
151 HG1 THR 45 HG1 THR 45 -0.427 2.247 -1.425
152 HG21 THR 45 HG21 THR 45 -1.312 4.977 0.451
153 HG22 THR 45 HG22 THR 45 -0.232 4.737 -0.922
154 HG23 THR 45 HG23 THR 45 -0.225 3.589 0.416
155 H THR 46 HN THR 46 -3.222 0.409 -0.833
156 HA THR 46 HA THR 46 -5.435 0.976 -2.501
157 HB THR 46 HB THR 46 -4.517 -1.700 -1.425
158 HG1 THR 46 HG1 THR 46 -2.931 -0.548 -2.672
159 HG21 THR 46 HG21 THR 46 -6.277 -1.016 -3.784
160 HG22 THR 46 HG22 THR 46 -6.791 -1.806 -2.293
161 HG23 THR 46 HG23 THR 46 -5.678 -2.627 -3.388
162 H LEU 47 HN LEU 47 -5.223 -0.756 0.610
163 HA LEU 47 HA LEU 47 -8.022 -1.100 0.879
164 HB2 LEU 47 HB2 LEU 47 -5.734 -1.269 2.823
165 HB3 LEU 47 HB1 LEU 47 -7.393 -1.530 3.318
166 HG LEU 47 HG LEU 47 -7.527 -3.385 1.630
167 HD11 LEU 47 HD11 LEU 47 -4.556 -2.900 1.470
168 HD12 LEU 47 HD12 LEU 47 -5.727 -2.725 0.162
169 HD13 LEU 47 HD13 LEU 47 -5.388 -4.320 0.835
170 HD21 LEU 47 HD21 LEU 47 -6.285 -4.979 3.007
171 HD22 LEU 47 HD22 LEU 47 -7.176 -3.828 4.001
172 HD23 LEU 47 HD23 LEU 47 -5.436 -3.646 3.788
173 H PHE 48 HN PHE 48 -5.822 1.456 1.737
174 HA PHE 48 HA PHE 48 -7.414 2.776 3.648
175 HB2 PHE 48 HB2 PHE 48 -5.032 3.272 3.347
176 HB3 PHE 48 HB1 PHE 48 -5.360 3.926 1.746
177 HD1 PHE 48 HD1 PHE 48 -6.011 6.159 1.465
178 HD2 PHE 48 HD2 PHE 48 -6.013 4.430 5.353
179 HE1 PHE 48 HE1 PHE 48 -6.381 8.383 2.450
180 HE2 PHE 48 HE2 PHE 48 -6.384 6.651 6.346
181 HZ PHE 48 HZ PHE 48 -6.565 8.633 4.889
182 H CYS 49 HN CYS 49 -7.133 3.208 0.131
183 HA CYS 49 HA CYS 49 -9.161 5.254 0.093
184 HB2 CYS 49 HB2 CYS 49 -7.845 3.750 -2.177
185 HB3 CYS 49 HB1 CYS 49 -8.891 5.155 -2.359
186 HG CYS 49 HG CYS 49 -6.229 5.582 -0.345
187 H LEU 50 HN LEU 50 -9.015 1.802 -0.521
188 HA LEU 50 HA LEU 50 -11.528 1.568 -1.808
189 HB2 LEU 50 HB2 LEU 50 -9.427 -0.122 -1.271
190 HB3 LEU 50 HB1 LEU 50 -10.695 -0.754 -0.238
191 HG LEU 50 HG LEU 50 -12.165 -0.776 -2.325
192 HD11 LEU 50 HD11 LEU 50 -10.777 -1.008 -4.435
193 HD12 LEU 50 HD12 LEU 50 -9.472 -0.234 -3.532
194 HD13 LEU 50 HD13 LEU 50 -10.989 0.623 -3.801
195 HD21 LEU 50 HD21 LEU 50 -11.265 -2.915 -3.065
196 HD22 LEU 50 HD22 LEU 50 -11.214 -2.794 -1.306
197 HD23 LEU 50 HD23 LEU 50 -9.740 -2.570 -2.248
198 H LEU 51 HN LEU 51 -10.582 0.725 1.528
199 HA LEU 51 HA LEU 51 -13.156 0.162 2.454
200 HB2 LEU 51 HB2 LEU 51 -10.767 1.182 3.989
201 HB3 LEU 51 HB1 LEU 51 -12.206 0.492 4.714
202 HG LEU 51 HG LEU 51 -10.365 -1.003 2.847
203 HD11 LEU 51 HD11 LEU 51 -10.557 -1.087 5.855
204 HD12 LEU 51 HD12 LEU 51 -9.213 -0.438 4.914
205 HD13 LEU 51 HD13 LEU 51 -9.581 -2.162 4.853
206 HD21 LEU 51 HD21 LEU 51 -11.571 -2.973 3.676
207 HD22 LEU 51 HD22 LEU 51 -12.640 -1.851 2.836
208 HD23 LEU 51 HD23 LEU 51 -12.642 -1.920 4.598
209 H HIS 52 HN HIS 52 -11.557 3.199 1.946
210 HA HIS 52 HA HIS 52 -12.965 4.852 3.687
211 HB2 HIS 52 HB2 HIS 52 -11.035 5.642 2.423
212 HB3 HIS 52 HB1 HIS 52 -11.928 5.479 0.916
213 HD1 HIS 52 HD1 HIS 52 -12.902 7.593 0.097
214 HD2 HIS 52 HD2 HIS 52 -12.446 7.608 4.228
215 HE1 HIS 52 HE1 HIS 52 -13.639 9.878 0.846
216 HE2 HIS 52 HE2 HIS 52 -13.447 9.829 3.358
217 H PHE 53 HN PHE 53 -13.808 3.803 0.399
218 HA PHE 53 HA PHE 53 -16.299 5.260 0.446
219 HB2 PHE 53 HB2 PHE 53 -15.241 3.229 -1.530
220 HB3 PHE 53 HB1 PHE 53 -16.702 4.187 -1.748
221 HD1 PHE 53 HD1 PHE 53 -13.175 4.050 -2.215
222 HD2 PHE 53 HD2 PHE 53 -16.456 6.726 -1.775
223 HE1 PHE 53 HE1 PHE 53 -11.841 5.849 -3.237
224 HE2 PHE 53 HE2 PHE 53 -15.130 8.527 -2.797
225 HZ PHE 53 HZ PHE 53 -12.813 8.082 -3.538
226 H GLY 54 HN GLY 54 -15.218 2.232 1.540
227 HA2 GLY 54 HA2 GLY 54 -16.404 0.659 2.765
228 HA3 GLY 54 HA1 GLY 54 -17.887 1.521 2.380
229 H VAL 55 HN VAL 55 -15.680 0.546 -0.123
230 HA VAL 55 HA VAL 55 -17.596 -0.763 -1.660
231 HB VAL 55 HB VAL 55 -14.623 -1.294 -1.709
232 HG11 VAL 55 HG11 VAL 55 -15.909 -2.883 -3.023
233 HG12 VAL 55 HG12 VAL 55 -15.007 -1.798 -4.082
234 HG13 VAL 55 HG13 VAL 55 -16.738 -1.560 -3.844
235 HG21 VAL 55 HG21 VAL 55 -15.056 1.101 -1.803
236 HG22 VAL 55 HG22 VAL 55 -16.205 0.854 -3.117
237 HG23 VAL 55 HG23 VAL 55 -14.495 0.506 -3.366
238 H ILE 56 HN ILE 56 -15.659 -1.913 0.978
239 HA ILE 56 HA ILE 56 -16.255 -4.706 0.411
240 HB ILE 56 HB ILE 56 -14.768 -3.518 2.757
241 HG12 ILE 56 HG12 ILE 56 -13.628 -3.007 0.652
242 HG13 ILE 56 HG11 ILE 56 -12.723 -4.208 1.567
243 HG21 ILE 56 HG21 ILE 56 -14.943 -6.352 1.743
244 HG22 ILE 56 HG22 ILE 56 -15.647 -5.724 3.233
245 HG23 ILE 56 HG23 ILE 56 -13.894 -5.797 3.048
246 HD11 ILE 56 HD11 ILE 56 -13.631 -5.971 0.131
247 HD12 ILE 56 HD12 ILE 56 -12.750 -4.753 -0.790
248 HD13 ILE 56 HD13 ILE 56 -14.514 -4.753 -0.790
249 H GLY 57 HN GLY 57 -18.009 -5.681 1.160
250 HA2 GLY 57 HA2 GLY 57 -18.971 -5.671 3.740
251 HA3 GLY 57 HA1 GLY 57 -19.823 -4.364 2.933
252 HA PRO 58 HA PRO 58 -22.706 -7.134 1.081
253 HB2 PRO 58 HB2 PRO 58 -22.627 -6.661 -1.604
254 HB3 PRO 58 HB1 PRO 58 -23.369 -5.553 -0.444
255 HG2 PRO 58 HG2 PRO 58 -20.656 -5.439 -1.704
256 HG3 PRO 58 HG1 PRO 58 -21.821 -4.128 -1.437
257 HD2 PRO 58 HD2 PRO 58 -19.697 -4.503 0.179
258 HD3 PRO 58 HD1 PRO 58 -21.254 -3.908 0.793
259 H GLN 59 HN GLN 59 -19.477 -7.240 -0.225
260 HA GLN 59 HA GLN 59 -19.892 -10.070 -0.934
261 HB2 GLN 59 HB2 GLN 59 -18.197 -9.820 -2.681
262 HB3 GLN 59 HB1 GLN 59 -19.539 -8.715 -2.944
263 HG2 GLN 59 HG2 GLN 59 -18.230 -6.880 -2.031
264 HG3 GLN 59 HG1 GLN 59 -16.890 -7.982 -1.715
265 HE21 GLN 59 HE21 GLN 59 -15.682 -8.778 -3.440
266 HE22 GLN 59 HE22 GLN 59 -15.724 -8.045 -5.003
267 H ARG 60 HN ARG 60 -17.920 -11.407 -0.786
268 HA ARG 60 HA ARG 60 -15.880 -10.391 1.043
269 HB2 ARG 60 HB2 ARG 60 -17.632 -11.431 2.450
270 HB3 ARG 60 HB1 ARG 60 -17.430 -12.936 1.562
271 HG2 ARG 60 HG2 ARG 60 -15.089 -13.038 2.332
272 HG3 ARG 60 HG1 ARG 60 -15.366 -11.579 3.284
273 HD2 ARG 60 HD2 ARG 60 -17.130 -12.743 4.531
274 HD3 ARG 60 HD1 ARG 60 -16.821 -14.203 3.592
275 HE ARG 60 HE ARG 60 -14.458 -13.268 4.869
276 HH11 ARG 60 HH11 ARG 60 -17.438 -14.983 5.440
277 HH12 ARG 60 HH12 ARG 60 -16.817 -15.876 6.788
278 HH21 ARG 60 HH21 ARG 60 -13.631 -14.439 6.640
279 HH22 ARG 60 HH22 ARG 60 -14.651 -15.566 7.471
Start of MODEL 20
1 H1 ARG 28 HT1 ARG 28 26.211 -1.758 -1.140
2 H2 ARG 28 HT2 ARG 28 25.543 -2.862 -0.046
3 H3 ARG 28 HT3 ARG 28 27.130 -2.316 0.166
4 HA ARG 28 HA ARG 28 25.633 -1.247 1.719
5 HB2 ARG 28 HB2 ARG 28 27.621 -0.041 0.907
6 HB3 ARG 28 HB1 ARG 28 26.684 0.601 -0.436
7 HG2 ARG 28 HG2 ARG 28 25.463 1.148 2.144
8 HG3 ARG 28 HG1 ARG 28 27.088 1.816 1.997
9 HD2 ARG 28 HD2 ARG 28 26.427 2.899 -0.115
10 HD3 ARG 28 HD1 ARG 28 24.790 2.270 0.085
11 HE ARG 28 HE ARG 28 25.107 3.611 2.363
12 HH11 ARG 28 HH11 ARG 28 25.853 4.512 -0.921
13 HH12 ARG 28 HH12 ARG 28 25.592 6.202 -0.651
14 HH21 ARG 28 HH21 ARG 28 24.763 5.832 2.726
15 HH22 ARG 28 HH22 ARG 28 24.974 6.954 1.423
16 H ARG 29 HN ARG 29 23.450 -1.478 1.783
17 HA ARG 29 HA ARG 29 21.663 -0.962 -0.296
18 HB2 ARG 29 HB2 ARG 29 21.222 -0.831 2.694
19 HB3 ARG 29 HB1 ARG 29 19.930 -0.797 1.501
20 HG2 ARG 29 HG2 ARG 29 21.902 -3.052 1.799
21 HG3 ARG 29 HG1 ARG 29 20.298 -3.021 2.532
22 HD2 ARG 29 HD2 ARG 29 19.291 -2.840 0.305
23 HD3 ARG 29 HD1 ARG 29 20.897 -2.878 -0.423
24 HE ARG 29 HE ARG 29 20.774 -5.152 1.081
25 HH11 ARG 29 HH11 ARG 29 18.830 -3.786 -1.468
26 HH12 ARG 29 HH12 ARG 29 18.323 -5.324 -2.080
27 HH21 ARG 29 HH21 ARG 29 20.114 -7.180 0.281
28 HH22 ARG 29 HH22 ARG 29 19.053 -7.254 -1.086
29 H CYS 30 HN CYS 30 21.182 0.866 -1.278
30 HA CYS 30 HA CYS 30 21.744 3.399 0.071
31 HB2 CYS 30 HB2 CYS 30 21.249 2.799 -2.851
32 HB3 CYS 30 HB1 CYS 30 21.643 4.384 -2.194
33 HG CYS 30 HG CYS 30 23.873 3.200 -3.511
34 H LEU 31 HN LEU 31 20.057 4.803 -1.912
35 HA LEU 31 HA LEU 31 17.841 5.396 -0.443
36 HB2 LEU 31 HB2 LEU 31 17.961 5.417 -3.450
37 HB3 LEU 31 HB1 LEU 31 16.938 6.410 -2.429
38 HG LEU 31 HG LEU 31 19.344 7.133 -1.470
39 HD11 LEU 31 HD11 LEU 31 19.813 6.037 -4.187
40 HD12 LEU 31 HD12 LEU 31 20.887 6.100 -2.789
41 HD13 LEU 31 HD13 LEU 31 20.614 7.548 -3.756
42 HD21 LEU 31 HD21 LEU 31 17.573 8.606 -2.239
43 HD22 LEU 31 HD22 LEU 31 18.007 8.269 -3.915
44 HD23 LEU 31 HD23 LEU 31 19.142 9.116 -2.863
45 H PHE 32 HN PHE 32 18.304 2.656 -2.537
46 HA PHE 32 HA PHE 32 15.675 1.925 -3.089
47 HB2 PHE 32 HB2 PHE 32 17.743 0.855 -4.029
48 HB3 PHE 32 HB1 PHE 32 17.956 0.028 -2.490
49 HD1 PHE 32 HD1 PHE 32 15.955 0.229 -5.547
50 HD2 PHE 32 HD2 PHE 32 16.531 -1.808 -1.855
51 HE1 PHE 32 HE1 PHE 32 14.497 -1.592 -6.329
52 HE2 PHE 32 HE2 PHE 32 15.076 -3.634 -2.631
53 HZ PHE 32 HZ PHE 32 14.071 -3.533 -4.887
54 H LEU 33 HN LEU 33 17.341 1.997 -0.134
55 HA LEU 33 HA LEU 33 16.172 -0.048 1.343
56 HB2 LEU 33 HB2 LEU 33 18.057 1.661 1.925
57 HB3 LEU 33 HB1 LEU 33 16.739 2.641 2.539
58 HG LEU 33 HG LEU 33 16.122 0.519 3.913
59 HD11 LEU 33 HD11 LEU 33 18.105 -0.817 4.517
60 HD12 LEU 33 HD12 LEU 33 19.013 -0.006 3.240
61 HD13 LEU 33 HD13 LEU 33 17.631 -1.023 2.832
62 HD21 LEU 33 HD21 LEU 33 16.882 2.624 4.877
63 HD22 LEU 33 HD22 LEU 33 18.557 2.176 4.560
64 HD23 LEU 33 HD23 LEU 33 17.600 1.251 5.717
65 H SER 34 HN SER 34 15.096 3.312 0.895
66 HA SER 34 HA SER 34 12.713 2.927 2.449
67 HB2 SER 34 HB2 SER 34 13.500 5.194 0.604
68 HB3 SER 34 HB1 SER 34 12.145 5.215 1.732
69 HG SER 34 HG SER 34 13.915 4.678 3.338
70 H LEU 35 HN LEU 35 13.552 2.860 -0.956
71 HA LEU 35 HA LEU 35 10.974 3.007 -2.046
72 HB2 LEU 35 HB2 LEU 35 13.028 3.220 -3.372
73 HB3 LEU 35 HB1 LEU 35 13.389 1.527 -3.095
74 HG LEU 35 HG LEU 35 11.063 1.131 -4.223
75 HD11 LEU 35 HD11 LEU 35 10.557 2.791 -5.943
76 HD12 LEU 35 HD12 LEU 35 11.828 3.837 -5.312
77 HD13 LEU 35 HD13 LEU 35 10.412 3.477 -4.324
78 HD21 LEU 35 HD21 LEU 35 13.294 2.031 -6.007
79 HD22 LEU 35 HD22 LEU 35 12.179 0.679 -6.216
80 HD23 LEU 35 HD23 LEU 35 13.446 0.598 -4.989
81 H PHE 36 HN PHE 36 12.910 0.184 -1.097
82 HA PHE 36 HA PHE 36 11.064 -1.777 -1.875
83 HB2 PHE 36 HB2 PHE 36 13.448 -2.207 -1.306
84 HB3 PHE 36 HB1 PHE 36 13.062 -1.938 0.391
85 HD1 PHE 36 HD1 PHE 36 12.426 -4.142 -2.506
86 HD2 PHE 36 HD2 PHE 36 12.110 -3.640 1.709
87 HE1 PHE 36 HE1 PHE 36 11.827 -6.516 -2.272
88 HE2 PHE 36 HE2 PHE 36 11.510 -6.013 1.951
89 HZ PHE 36 HZ PHE 36 11.372 -7.457 -0.050
90 H SER 37 HN SER 37 11.188 0.294 0.904
91 HA SER 37 HA SER 37 9.427 -1.237 2.549
92 HB2 SER 37 HB2 SER 37 10.966 0.408 3.520
93 HB3 SER 37 HB1 SER 37 10.132 1.706 2.665
94 HG SER 37 HG SER 37 8.207 0.957 3.852
95 H PHE 38 HN PHE 38 8.997 0.898 -0.101
96 HA PHE 38 HA PHE 38 6.308 1.682 0.512
97 HB2 PHE 38 HB2 PHE 38 7.787 3.049 -0.926
98 HB3 PHE 38 HB1 PHE 38 7.785 1.765 -2.129
99 HD1 PHE 38 HD1 PHE 38 5.965 1.478 -3.625
100 HD2 PHE 38 HD2 PHE 38 5.719 4.315 -0.462
101 HE1 PHE 38 HE1 PHE 38 3.950 2.447 -4.655
102 HE2 PHE 38 HE2 PHE 38 3.704 5.288 -1.485
103 HZ PHE 38 HZ PHE 38 2.816 4.353 -3.584
104 H LEU 39 HN LEU 39 7.841 -0.900 -1.294
105 HA LEU 39 HA LEU 39 5.567 -1.811 -2.688
106 HB2 LEU 39 HB2 LEU 39 8.135 -3.126 -1.854
107 HB3 LEU 39 HB1 LEU 39 6.881 -4.031 -2.683
108 HG LEU 39 HG LEU 39 7.053 -2.164 -4.475
109 HD11 LEU 39 HD11 LEU 39 9.530 -1.403 -4.515
110 HD12 LEU 39 HD12 LEU 39 9.460 -1.711 -2.776
111 HD13 LEU 39 HD13 LEU 39 8.369 -0.535 -3.510
112 HD21 LEU 39 HD21 LEU 39 9.283 -4.158 -4.075
113 HD22 LEU 39 HD22 LEU 39 8.861 -3.371 -5.597
114 HD23 LEU 39 HD23 LEU 39 7.724 -4.484 -4.835
115 H ILE 40 HN ILE 40 6.707 -2.322 0.569
116 HA ILE 40 HA ILE 40 4.975 -4.538 1.127
117 HB ILE 40 HB ILE 40 6.416 -2.708 3.053
118 HG12 ILE 40 HG12 ILE 40 7.206 -5.456 2.068
119 HG13 ILE 40 HG11 ILE 40 7.880 -3.954 1.441
120 HG21 ILE 40 HG21 ILE 40 6.082 -4.471 4.691
121 HG22 ILE 40 HG22 ILE 40 5.219 -5.441 3.497
122 HG23 ILE 40 HG23 ILE 40 4.529 -3.919 4.062
123 HD11 ILE 40 HD11 ILE 40 8.099 -4.955 4.270
124 HD12 ILE 40 HD12 ILE 40 8.754 -3.432 3.666
125 HD13 ILE 40 HD13 ILE 40 9.375 -4.965 3.052
126 H VAL 41 HN VAL 41 4.965 -1.089 2.021
127 HA VAL 41 HA VAL 41 2.500 -1.176 3.402
128 HB VAL 41 HB VAL 41 4.244 0.648 3.579
129 HG11 VAL 41 HG11 VAL 41 4.559 1.013 1.171
130 HG12 VAL 41 HG12 VAL 41 4.134 2.503 2.015
131 HG13 VAL 41 HG13 VAL 41 2.918 1.652 1.061
132 HG21 VAL 41 HG21 VAL 41 1.388 1.486 3.086
133 HG22 VAL 41 HG22 VAL 41 2.593 2.418 3.973
134 HG23 VAL 41 HG23 VAL 41 2.046 0.864 4.600
135 H ALA 42 HN ALA 42 3.295 -1.074 0.057
136 HA ALA 42 HA ALA 42 1.152 0.223 -1.099
137 HB1 ALA 42 HB1 ALA 42 1.557 -1.148 -3.075
138 HB2 ALA 42 HB2 ALA 42 2.525 -2.263 -2.112
139 HB3 ALA 42 HB3 ALA 42 3.074 -0.606 -2.359
140 H GLY 43 HN GLY 43 1.253 -2.938 0.393
141 HA2 GLY 43 HA2 GLY 43 -1.337 -3.719 -0.640
142 HA3 GLY 43 HA1 GLY 43 -0.355 -4.619 0.505
143 H ALA 44 HN ALA 44 -0.083 -2.226 2.255
144 HA ALA 44 HA ALA 44 -2.482 -2.676 3.792
145 HB1 ALA 44 HB1 ALA 44 -0.283 -2.540 4.871
146 HB2 ALA 44 HB2 ALA 44 -1.405 -1.335 5.504
147 HB3 ALA 44 HB3 ALA 44 -0.147 -0.856 4.364
148 H THR 45 HN THR 45 -0.899 0.203 2.407
149 HA THR 45 HA THR 45 -2.804 2.082 3.062
150 HB THR 45 HB THR 45 -0.700 2.791 2.177
151 HG1 THR 45 HG1 THR 45 -1.506 4.433 0.997
152 HG21 THR 45 HG21 THR 45 0.181 2.135 0.188
153 HG22 THR 45 HG22 THR 45 -1.399 1.997 -0.585
154 HG23 THR 45 HG23 THR 45 -0.844 0.739 0.516
155 H THR 46 HN THR 46 -2.970 -0.416 0.697
156 HA THR 46 HA THR 46 -4.829 0.631 -1.100
157 HB THR 46 HB THR 46 -4.570 -2.235 -0.166
158 HG1 THR 46 HG1 THR 46 -3.142 -0.636 -1.935
159 HG21 THR 46 HG21 THR 46 -5.866 -1.097 -2.647
160 HG22 THR 46 HG22 THR 46 -6.710 -1.835 -1.284
161 HG23 THR 46 HG23 THR 46 -5.644 -2.812 -2.297
162 H LEU 47 HN LEU 47 -5.350 -1.145 1.927
163 HA LEU 47 HA LEU 47 -8.158 -1.187 1.823
164 HB2 LEU 47 HB2 LEU 47 -6.657 -2.549 3.325
165 HB3 LEU 47 HB1 LEU 47 -6.459 -1.116 4.315
166 HG LEU 47 HG LEU 47 -9.203 -2.195 3.762
167 HD11 LEU 47 HD11 LEU 47 -9.047 -3.546 5.785
168 HD12 LEU 47 HD12 LEU 47 -7.342 -3.121 5.948
169 HD13 LEU 47 HD13 LEU 47 -7.883 -4.086 4.574
170 HD21 LEU 47 HD21 LEU 47 -9.114 -0.028 4.794
171 HD22 LEU 47 HD22 LEU 47 -7.955 -0.596 5.994
172 HD23 LEU 47 HD23 LEU 47 -9.610 -1.205 6.009
173 H PHE 48 HN PHE 48 -5.884 1.136 3.211
174 HA PHE 48 HA PHE 48 -7.705 2.786 4.529
175 HB2 PHE 48 HB2 PHE 48 -5.015 3.323 3.288
176 HB3 PHE 48 HB1 PHE 48 -5.921 4.587 4.111
177 HD1 PHE 48 HD1 PHE 48 -3.970 1.541 4.504
178 HD2 PHE 48 HD2 PHE 48 -6.303 4.475 6.518
179 HE1 PHE 48 HE1 PHE 48 -3.056 0.783 6.660
180 HE2 PHE 48 HE2 PHE 48 -5.393 3.723 8.677
181 HZ PHE 48 HZ PHE 48 -3.768 1.876 8.749
182 H CYS 49 HN CYS 49 -6.358 3.162 1.250
183 HA CYS 49 HA CYS 49 -8.024 5.383 0.613
184 HB2 CYS 49 HB2 CYS 49 -5.866 5.040 -0.491
185 HB3 CYS 49 HB1 CYS 49 -6.454 3.540 -1.199
186 HG CYS 49 HG CYS 49 -6.291 5.754 -3.057
187 H LEU 50 HN LEU 50 -8.434 1.962 0.485
188 HA LEU 50 HA LEU 50 -10.276 1.644 -1.560
189 HB2 LEU 50 HB2 LEU 50 -9.162 -0.029 0.202
190 HB3 LEU 50 HB1 LEU 50 -10.741 0.129 0.951
191 HG LEU 50 HG LEU 50 -11.710 -0.509 -1.324
192 HD11 LEU 50 HD11 LEU 50 -8.803 -1.124 -1.749
193 HD12 LEU 50 HD12 LEU 50 -9.889 -0.185 -2.776
194 HD13 LEU 50 HD13 LEU 50 -10.083 -1.934 -2.653
195 HD21 LEU 50 HD21 LEU 50 -11.345 -2.906 -0.918
196 HD22 LEU 50 HD22 LEU 50 -11.714 -2.028 0.567
197 HD23 LEU 50 HD23 LEU 50 -10.054 -2.506 0.214
198 H LEU 51 HN LEU 51 -10.780 2.779 1.740
199 HA LEU 51 HA LEU 51 -13.573 2.706 1.803
200 HB2 LEU 51 HB2 LEU 51 -11.516 4.369 3.204
201 HB3 LEU 51 HB1 LEU 51 -13.217 4.743 3.404
202 HG LEU 51 HG LEU 51 -12.394 3.362 5.242
203 HD11 LEU 51 HD11 LEU 51 -14.289 1.891 3.418
204 HD12 LEU 51 HD12 LEU 51 -14.721 3.130 4.596
205 HD13 LEU 51 HD13 LEU 51 -14.073 1.582 5.141
206 HD21 LEU 51 HD21 LEU 51 -11.682 1.062 4.869
207 HD22 LEU 51 HD22 LEU 51 -10.611 2.194 4.043
208 HD23 LEU 51 HD23 LEU 51 -11.817 1.292 3.126
209 H HIS 52 HN HIS 52 -11.365 5.126 0.505
210 HA HIS 52 HA HIS 52 -13.502 6.962 -0.128
211 HB2 HIS 52 HB2 HIS 52 -10.561 6.981 -0.827
212 HB3 HIS 52 HB1 HIS 52 -11.685 8.273 -1.236
213 HD1 HIS 52 HD1 HIS 52 -11.911 10.077 0.452
214 HD2 HIS 52 HD2 HIS 52 -10.362 6.591 2.100
215 HE1 HIS 52 HE1 HIS 52 -11.323 10.660 2.827
216 HE2 HIS 52 HE2 HIS 52 -10.465 8.513 3.827
217 H PHE 53 HN PHE 53 -12.080 4.241 -1.580
218 HA PHE 53 HA PHE 53 -12.336 4.904 -4.312
219 HB2 PHE 53 HB2 PHE 53 -11.090 2.922 -3.243
220 HB3 PHE 53 HB1 PHE 53 -12.655 2.118 -3.209
221 HD1 PHE 53 HD1 PHE 53 -9.931 3.312 -5.315
222 HD2 PHE 53 HD2 PHE 53 -13.746 1.428 -5.265
223 HE1 PHE 53 HE1 PHE 53 -9.595 2.580 -7.639
224 HE2 PHE 53 HE2 PHE 53 -13.417 0.692 -7.590
225 HZ PHE 53 HZ PHE 53 -11.339 1.267 -8.779
226 H GLY 54 HN GLY 54 -14.613 3.962 -1.887
227 HA2 GLY 54 HA2 GLY 54 -16.934 4.286 -2.048
228 HA3 GLY 54 HA1 GLY 54 -16.788 4.323 -3.799
229 H VAL 55 HN VAL 55 -15.075 1.745 -2.489
230 HA VAL 55 HA VAL 55 -16.647 -0.220 -3.714
231 HB VAL 55 HB VAL 55 -15.359 -1.846 -2.282
232 HG11 VAL 55 HG11 VAL 55 -13.219 -1.397 -3.363
233 HG12 VAL 55 HG12 VAL 55 -13.734 0.252 -3.720
234 HG13 VAL 55 HG13 VAL 55 -14.555 -1.111 -4.478
235 HG21 VAL 55 HG21 VAL 55 -15.077 -0.455 -0.310
236 HG22 VAL 55 HG22 VAL 55 -14.097 0.686 -1.231
237 HG23 VAL 55 HG23 VAL 55 -13.506 -0.950 -0.940
238 H ILE 56 HN ILE 56 -16.639 1.046 -0.439
239 HA ILE 56 HA ILE 56 -19.175 -0.336 0.065
240 HB ILE 56 HB ILE 56 -16.889 -0.259 2.037
241 HG12 ILE 56 HG12 ILE 56 -18.051 -2.794 0.967
242 HG13 ILE 56 HG11 ILE 56 -16.928 -1.900 -0.050
243 HG21 ILE 56 HG21 ILE 56 -19.064 -0.103 3.117
244 HG22 ILE 56 HG22 ILE 56 -18.328 -1.677 3.427
245 HG23 ILE 56 HG23 ILE 56 -19.619 -1.525 2.234
246 HD11 ILE 56 HD11 ILE 56 -15.258 -2.005 1.745
247 HD12 ILE 56 HD12 ILE 56 -15.758 -3.597 1.178
248 HD13 ILE 56 HD13 ILE 56 -16.381 -2.969 2.704
249 H GLY 57 HN GLY 57 -20.553 1.321 0.299
250 HA2 GLY 57 HA2 GLY 57 -20.293 3.120 2.492
251 HA3 GLY 57 HA1 GLY 57 -19.970 3.939 0.973
252 HA PRO 58 HA PRO 58 -24.225 4.736 0.209
253 HB2 PRO 58 HB2 PRO 58 -24.010 3.286 -2.381
254 HB3 PRO 58 HB1 PRO 58 -24.560 4.934 -2.055
255 HG2 PRO 58 HG2 PRO 58 -22.167 4.494 -3.130
256 HG3 PRO 58 HG1 PRO 58 -22.400 5.770 -1.920
257 HD2 PRO 58 HD2 PRO 58 -21.167 3.064 -1.612
258 HD3 PRO 58 HD1 PRO 58 -20.700 4.609 -0.870
259 H GLN 59 HN GLN 59 -23.084 1.470 -0.372
260 HA GLN 59 HA GLN 59 -25.673 0.257 -0.367
261 HB2 GLN 59 HB2 GLN 59 -24.454 -1.860 -0.255
262 HB3 GLN 59 HB1 GLN 59 -23.753 -0.802 -1.471
263 HG2 GLN 59 HG2 GLN 59 -21.929 -0.244 -0.024
264 HG3 GLN 59 HG1 GLN 59 -22.668 -1.118 1.316
265 HE21 GLN 59 HE21 GLN 59 -22.671 -2.285 -1.975
266 HE22 GLN 59 HE22 GLN 59 -21.593 -3.608 -1.713
267 H ARG 60 HN ARG 60 -25.701 -1.791 1.322
268 HA ARG 60 HA ARG 60 -25.320 -0.635 4.002
269 HB2 ARG 60 HB2 ARG 60 -27.444 -1.902 4.631
270 HB3 ARG 60 HB1 ARG 60 -27.640 -0.445 3.667
271 HG2 ARG 60 HG2 ARG 60 -27.902 -1.798 1.656
272 HG3 ARG 60 HG1 ARG 60 -27.680 -3.266 2.610
273 HD2 ARG 60 HD2 ARG 60 -29.907 -1.255 2.901
274 HD3 ARG 60 HD1 ARG 60 -30.040 -2.871 2.209
275 HE ARG 60 HE ARG 60 -29.026 -3.077 4.818
276 HH11 ARG 60 HH11 ARG 60 -31.970 -2.240 3.151
277 HH12 ARG 60 HH12 ARG 60 -32.999 -2.733 4.453
278 HH21 ARG 60 HH21 ARG 60 -30.375 -3.729 6.537
279 HH22 ARG 60 HH22 ARG 60 -32.093 -3.580 6.377