Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
618867 | 5xdi RC | 36068 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 -7.245 -1.082 5.279
2 H2 PHE 1 HT2 PHE 1 -6.055 0.109 5.436
3 H3 PHE 1 HT3 PHE 1 -5.652 -1.520 5.643
4 HA PHE 1 HA PHE 1 -4.904 -0.712 3.503
5 HB2 PHE 1 HB2 PHE 1 -7.148 -2.733 3.509
6 HB3 PHE 1 HB1 PHE 1 -6.160 -2.413 2.088
7 HD1 PHE 1 HD1 PHE 1 -6.212 -3.834 5.458
8 HD2 PHE 1 HD2 PHE 1 -3.873 -3.142 1.971
9 HE1 PHE 1 HE1 PHE 1 -4.542 -5.453 6.264
10 HE2 PHE 1 HE2 PHE 1 -2.198 -4.758 2.772
11 HZ PHE 1 HZ PHE 1 -2.532 -5.918 4.918
12 H GLN 2 HN GLN 2 -5.227 0.449 1.691
13 HA GLN 2 HA GLN 2 -7.916 1.399 1.025
14 HB2 GLN 2 HB2 GLN 2 -5.550 3.216 1.506
15 HB3 GLN 2 HB1 GLN 2 -7.044 3.729 0.738
16 HG2 GLN 2 HG2 GLN 2 -8.256 3.116 2.814
17 HG3 GLN 2 HG1 GLN 2 -6.701 2.763 3.566
18 HE21 GLN 2 HE21 GLN 2 -5.301 4.451 4.054
19 HE22 GLN 2 HE22 GLN 2 -5.827 6.096 4.109
20 H CYS 3 HN CYS 3 -4.565 1.055 0.153
21 HA CYS 3 HA CYS 3 -5.081 1.622 -2.668
22 HB2 CYS 3 HB2 CYS 3 -3.175 2.733 -1.655
23 HB3 CYS 3 HB1 CYS 3 -2.526 1.197 -1.100
24 H GLY 4 HN GLY 4 -3.700 0.202 -4.200
25 HA2 GLY 4 HA2 GLY 4 -3.274 -1.792 -5.225
26 HA3 GLY 4 HA1 GLY 4 -3.058 -2.473 -3.630
27 H ARG 5 HN ARG 5 -3.895 -4.359 -4.744
28 HA ARG 5 HA ARG 5 -6.661 -4.453 -5.501
29 HB2 ARG 5 HB2 ARG 5 -6.236 -6.909 -5.775
30 HB3 ARG 5 HB1 ARG 5 -5.141 -5.884 -6.692
31 HG2 ARG 5 HG2 ARG 5 -3.660 -6.182 -4.503
32 HG3 ARG 5 HG1 ARG 5 -4.593 -7.679 -4.405
33 HD2 ARG 5 HD2 ARG 5 -3.972 -8.154 -6.750
34 HD3 ARG 5 HD1 ARG 5 -2.949 -6.718 -6.733
35 HE ARG 5 HE ARG 5 -2.250 -8.419 -4.590
36 HH11 ARG 5 HH11 ARG 5 -1.939 -8.232 -8.084
37 HH12 ARG 5 HH12 ARG 5 -0.491 -9.182 -8.120
38 HH21 ARG 5 HH21 ARG 5 0.405 -9.988 -6.184
39 HH22 ARG 5 HH22 ARG 5 -0.353 -9.658 -4.662
40 H GLN 6 HN GLN 6 -5.052 -4.628 -2.515
41 HA GLN 6 HA GLN 6 -6.612 -6.526 -1.103
42 HB2 GLN 6 HB2 GLN 6 -4.438 -4.957 -0.501
43 HB3 GLN 6 HB1 GLN 6 -5.707 -4.200 0.450
44 HG2 GLN 6 HG2 GLN 6 -4.976 -7.132 0.564
45 HG3 GLN 6 HG1 GLN 6 -4.445 -5.908 1.716
46 HE21 GLN 6 HE21 GLN 6 -7.119 -7.811 0.572
47 HE22 GLN 6 HE22 GLN 6 -8.172 -7.511 1.909
48 H ALA 7 HN ALA 7 -7.218 -3.419 -2.296
49 HA ALA 7 HA ALA 7 -9.775 -3.195 -0.876
50 HB1 ALA 7 HB1 ALA 7 -9.483 -0.772 -0.869
51 HB2 ALA 7 HB2 ALA 7 -7.907 -0.963 -1.639
52 HB3 ALA 7 HB3 ALA 7 -8.170 -1.574 -0.006
53 H GLY 8 HN GLY 8 -7.897 -2.576 -3.759
54 HA2 GLY 8 HA2 GLY 8 -9.469 -3.267 -5.764
55 HA3 GLY 8 HA1 GLY 8 -10.243 -1.760 -5.299
56 H GLY 9 HN GLY 9 -8.757 0.157 -5.171
57 HA2 GLY 9 HA2 GLY 9 -6.276 0.276 -6.474
58 HA3 GLY 9 HA1 GLY 9 -7.524 0.605 -7.665
59 H ALA 10 HN ALA 10 -6.135 1.693 -4.594
60 HA ALA 10 HA ALA 10 -6.866 4.449 -5.277
61 HB1 ALA 10 HB1 ALA 10 -8.653 3.636 -3.802
62 HB2 ALA 10 HB2 ALA 10 -7.708 4.910 -3.031
63 HB3 ALA 10 HB3 ALA 10 -7.453 3.226 -2.576
64 H ARG 11 HN ARG 11 -5.928 5.845 -3.181
65 HA ARG 11 HA ARG 11 -3.218 4.918 -2.543
66 HB2 ARG 11 HB2 ARG 11 -3.910 7.515 -3.924
67 HB3 ARG 11 HB1 ARG 11 -2.398 7.283 -3.059
68 HG2 ARG 11 HG2 ARG 11 -1.803 5.455 -4.552
69 HG3 ARG 11 HG1 ARG 11 -3.337 5.641 -5.404
70 HD2 ARG 11 HD2 ARG 11 -1.331 7.870 -5.155
71 HD3 ARG 11 HD1 ARG 11 -1.300 6.708 -6.480
72 HE ARG 11 HE ARG 11 -3.878 7.826 -6.269
73 HH11 ARG 11 HH11 ARG 11 -0.643 8.742 -7.286
74 HH12 ARG 11 HH12 ARG 11 -1.209 9.936 -8.406
75 HH21 ARG 11 HH21 ARG 11 -4.596 9.393 -7.741
76 HH22 ARG 11 HH22 ARG 11 -3.445 10.303 -8.663
77 H CYS 12 HN CYS 12 -2.238 6.072 -0.718
78 HA CYS 12 HA CYS 12 -4.262 6.772 1.233
79 HB2 CYS 12 HB2 CYS 12 -1.306 6.332 1.416
80 HB3 CYS 12 HB1 CYS 12 -2.206 7.007 2.768
81 H SER 13 HN SER 13 -1.382 8.483 1.881
82 HA SER 13 HA SER 13 -2.787 10.958 2.030
83 HB2 SER 13 HB2 SER 13 -1.074 10.267 3.701
84 HB3 SER 13 HB1 SER 13 0.166 10.439 2.460
85 HG SER 13 HG SER 13 -1.148 12.363 3.924
86 H ASN 14 HN ASN 14 0.247 10.243 0.361
87 HA ASN 14 HA ASN 14 -0.605 11.837 -1.948
88 HB2 ASN 14 HB2 ASN 14 1.891 12.313 -0.305
89 HB3 ASN 14 HB1 ASN 14 1.715 12.909 -1.952
90 HD21 ASN 14 HD21 ASN 14 0.239 14.552 -2.381
91 HD22 ASN 14 HD22 ASN 14 -0.425 15.537 -1.126
92 H GLY 15 HN GLY 15 1.917 11.771 -3.275
93 HA2 GLY 15 HA2 GLY 15 1.855 9.102 -4.318
94 HA3 GLY 15 HA1 GLY 15 2.935 10.396 -4.821
95 H LEU 16 HN LEU 16 2.335 8.360 -1.998
96 HA LEU 16 HA LEU 16 5.149 8.343 -1.276
97 HB2 LEU 16 HB2 LEU 16 3.987 6.805 0.627
98 HB3 LEU 16 HB1 LEU 16 4.067 8.551 0.715
99 HG LEU 16 HG LEU 16 1.737 8.493 -0.426
100 HD11 LEU 16 HD11 LEU 16 0.393 6.588 -0.128
101 HD12 LEU 16 HD12 LEU 16 1.650 5.758 0.788
102 HD13 LEU 16 HD13 LEU 16 1.863 6.049 -0.938
103 HD21 LEU 16 HD21 LEU 16 2.115 7.603 2.414
104 HD22 LEU 16 HD22 LEU 16 0.628 8.266 1.742
105 HD23 LEU 16 HD23 LEU 16 2.077 9.265 1.825
106 H CYS 17 HN CYS 17 3.453 5.513 -0.382
107 HA CYS 17 HA CYS 17 4.490 3.909 -2.594
108 HB2 CYS 17 HB2 CYS 17 5.623 2.334 -1.089
109 HB3 CYS 17 HB1 CYS 17 6.291 3.946 -0.863
110 H CYS 18 HN CYS 18 3.701 1.618 -2.438
111 HA CYS 18 HA CYS 18 1.252 1.301 -0.877
112 HB2 CYS 18 HB2 CYS 18 0.562 2.235 -3.026
113 HB3 CYS 18 HB1 CYS 18 1.402 0.944 -3.874
114 H SER 19 HN SER 19 1.452 -0.486 0.235
115 HA SER 19 HA SER 19 3.438 -2.416 -0.070
116 HB2 SER 19 HB2 SER 19 0.835 -2.499 1.445
117 HB3 SER 19 HB1 SER 19 2.055 -3.764 1.554
118 HG SER 19 HG SER 19 2.869 -1.121 1.935
119 H GLN 20 HN GLN 20 3.371 -4.618 -0.493
120 HA GLN 20 HA GLN 20 2.668 -5.470 -2.934
121 HB2 GLN 20 HB2 GLN 20 3.002 -7.039 -0.407
122 HB3 GLN 20 HB1 GLN 20 2.745 -7.831 -1.954
123 HG2 GLN 20 HG2 GLN 20 4.762 -6.798 -2.835
124 HG3 GLN 20 HG1 GLN 20 5.008 -5.953 -1.308
125 HE21 GLN 20 HE21 GLN 20 5.129 -9.010 -2.950
126 HE22 GLN 20 HE22 GLN 20 6.025 -9.857 -1.739
127 H PHE 21 HN PHE 21 0.584 -5.766 -0.137
128 HA PHE 21 HA PHE 21 -1.476 -7.164 -1.619
129 HB2 PHE 21 HB2 PHE 21 -1.320 -6.136 1.207
130 HB3 PHE 21 HB1 PHE 21 -2.770 -6.874 0.544
131 HD1 PHE 21 HD1 PHE 21 -2.870 -9.218 0.078
132 HD2 PHE 21 HD2 PHE 21 0.636 -7.426 1.676
133 HE1 PHE 21 HE1 PHE 21 -2.010 -11.456 0.675
134 HE2 PHE 21 HE2 PHE 21 1.513 -9.655 2.279
135 HZ PHE 21 HZ PHE 21 0.186 -11.672 1.776
136 H GLY 22 HN GLY 22 -0.922 -4.022 -0.225
137 HA2 GLY 22 HA2 GLY 22 -1.866 -2.242 -1.827
138 HA3 GLY 22 HA1 GLY 22 -3.401 -2.985 -1.393
139 H TYR 23 HN TYR 23 -0.516 -2.183 0.514
140 HA TYR 23 HA TYR 23 -2.236 -0.470 2.180
141 HB2 TYR 23 HB2 TYR 23 -1.062 -2.723 3.109
142 HB3 TYR 23 HB1 TYR 23 0.221 -1.558 3.431
143 HD1 TYR 23 HD1 TYR 23 -1.986 -3.222 5.172
144 HD2 TYR 23 HD2 TYR 23 -1.286 0.858 4.187
145 HE1 TYR 23 HE1 TYR 23 -3.188 -2.531 7.206
146 HE2 TYR 23 HE2 TYR 23 -2.488 1.562 6.218
147 HH TYR 23 HH TYR 23 -3.296 -0.591 8.713
148 H CYS 24 HN CYS 24 -1.842 1.509 1.592
149 HA CYS 24 HA CYS 24 0.844 2.364 0.878
150 HB2 CYS 24 HB2 CYS 24 -0.456 4.564 0.408
151 HB3 CYS 24 HB1 CYS 24 -0.728 3.190 -0.653
152 H GLY 25 HN GLY 25 1.939 4.045 1.831
153 HA2 GLY 25 HA2 GLY 25 1.001 5.449 4.129
154 HA3 GLY 25 HA1 GLY 25 2.070 4.129 4.581
155 H SER 26 HN SER 26 3.067 6.303 5.389
156 HA SER 26 HA SER 26 5.261 6.937 3.557
157 HB2 SER 26 HB2 SER 26 5.004 9.427 4.261
158 HB3 SER 26 HB1 SER 26 3.915 8.813 3.022
159 HG SER 26 HG SER 26 3.163 10.039 5.106
160 H THR 27 HN THR 27 4.356 5.869 6.461
161 HA THR 27 HA THR 27 6.855 6.529 7.718
162 HB THR 27 HB THR 27 5.882 8.478 8.515
163 HG1 THR 27 HG1 THR 27 6.349 6.586 10.236
164 HG21 THR 27 HG21 THR 27 3.328 7.059 9.276
165 HG22 THR 27 HG22 THR 27 3.553 7.911 7.747
166 HG23 THR 27 HG23 THR 27 3.640 8.796 9.270
167 HA PRO 28 HA PRO 28 4.661 3.076 10.270
168 HB2 PRO 28 HB2 PRO 28 2.429 1.997 8.767
169 HB3 PRO 28 HB1 PRO 28 2.387 2.846 10.321
170 HG2 PRO 28 HG2 PRO 28 1.292 3.864 8.070
171 HG3 PRO 28 HG1 PRO 28 1.966 4.874 9.366
172 HD2 PRO 28 HD2 PRO 28 3.292 4.000 6.798
173 HD3 PRO 28 HD1 PRO 28 3.188 5.632 7.500
174 HA PRO 29 HA PRO 29 6.404 -0.587 8.240
175 HB2 PRO 29 HB2 PRO 29 4.066 -2.344 8.787
176 HB3 PRO 29 HB1 PRO 29 5.754 -2.522 9.302
177 HG2 PRO 29 HG2 PRO 29 3.913 -1.845 11.051
178 HG3 PRO 29 HG1 PRO 29 5.511 -1.067 11.079
179 HD2 PRO 29 HD2 PRO 29 2.937 -0.024 9.955
180 HD3 PRO 29 HD1 PRO 29 4.128 0.801 10.982
181 H TYR 30 HN TYR 30 5.125 1.053 6.478
182 HA TYR 30 HA TYR 30 4.379 -0.755 4.291
183 HB2 TYR 30 HB2 TYR 30 2.956 1.887 4.546
184 HB3 TYR 30 HB1 TYR 30 2.487 0.467 3.624
185 HD1 TYR 30 HD1 TYR 30 1.672 2.393 6.388
186 HD2 TYR 30 HD2 TYR 30 2.039 -1.679 5.218
187 HE1 TYR 30 HE1 TYR 30 0.170 1.730 8.222
188 HE2 TYR 30 HE2 TYR 30 0.540 -2.353 7.048
189 HH TYR 30 HH TYR 30 -0.210 -1.491 9.221
190 H CYS 31 HN CYS 31 5.634 2.219 5.540
191 HA CYS 31 HA CYS 31 7.249 2.629 3.151
192 HB2 CYS 31 HB2 CYS 31 5.100 4.353 3.931
193 HB3 CYS 31 HB1 CYS 31 6.625 5.209 4.133
194 H GLY 32 HN GLY 32 8.825 1.658 4.466
195 HA2 GLY 32 HA2 GLY 32 10.785 3.137 5.536
196 HA3 GLY 32 HA1 GLY 32 9.688 2.971 6.905
197 H ALA 33 HN ALA 33 8.843 0.635 7.125
198 HA ALA 33 HA ALA 33 10.614 -1.501 6.390
199 HB1 ALA 33 HB1 ALA 33 10.465 -0.738 9.319
200 HB2 ALA 33 HB2 ALA 33 11.882 -0.564 8.284
201 HB3 ALA 33 HB3 ALA 33 11.257 -2.170 8.659
202 H GLY 34 HN GLY 34 9.024 -2.737 5.655
203 HA2 GLY 34 HA2 GLY 34 7.343 -4.176 7.381
204 HA3 GLY 34 HA1 GLY 34 6.407 -2.871 6.667
205 H GLN 35 HN GLN 35 5.769 -2.982 4.585
206 HA GLN 35 HA GLN 35 6.680 -5.212 2.920
207 HB2 GLN 35 HB2 GLN 35 4.206 -5.533 2.242
208 HB3 GLN 35 HB1 GLN 35 4.749 -6.227 3.759
209 HG2 GLN 35 HG2 GLN 35 3.725 -4.412 4.995
210 HG3 GLN 35 HG1 GLN 35 3.260 -3.618 3.494
211 HE21 GLN 35 HE21 GLN 35 2.629 -6.250 5.666
212 HE22 GLN 35 HE22 GLN 35 1.100 -6.704 5.003
213 H CYS 36 HN CYS 36 7.650 -2.823 2.487
214 HA CYS 36 HA CYS 36 6.075 -1.170 0.742
215 HB2 CYS 36 HB2 CYS 36 8.206 0.069 0.421
216 HB3 CYS 36 HB1 CYS 36 7.794 -0.166 2.117
217 H GLN 37 HN GLN 37 5.584 -1.660 -1.296
218 HA GLN 37 HA GLN 37 7.346 -3.394 -2.859
219 HB2 GLN 37 HB2 GLN 37 4.811 -3.750 -2.607
220 HB3 GLN 37 HB1 GLN 37 4.632 -2.381 -3.692
221 HG2 GLN 37 HG2 GLN 37 6.094 -3.653 -5.317
222 HG3 GLN 37 HG1 GLN 37 5.876 -5.050 -4.264
223 HE21 GLN 37 HE21 GLN 37 3.875 -6.048 -4.158
224 HE22 GLN 37 HE22 GLN 37 2.617 -5.733 -5.299
225 H SER 38 HN SER 38 5.689 -0.247 -3.135
226 HA SER 38 HA SER 38 7.013 0.430 -5.590
227 HB2 SER 38 HB2 SER 38 5.198 2.027 -3.785
228 HB3 SER 38 HB1 SER 38 5.824 2.620 -5.323
229 HG SER 38 HG SER 38 4.065 0.456 -4.855
230 H GLN 39 HN GLN 39 7.034 1.914 -2.377
231 HA GLN 39 HA GLN 39 9.852 2.629 -2.724
232 HB2 GLN 39 HB2 GLN 39 7.598 4.516 -2.598
233 HB3 GLN 39 HB1 GLN 39 8.901 4.878 -1.474
234 HG2 GLN 39 HG2 GLN 39 10.492 4.877 -3.339
235 HG3 GLN 39 HG1 GLN 39 9.168 4.540 -4.453
236 HE21 GLN 39 HE21 GLN 39 10.655 6.908 -2.394
237 HE22 GLN 39 HE22 GLN 39 9.800 8.278 -3.008
238 H CYS 40 HN CYS 40 10.978 3.078 -0.762
239 HA CYS 40 HA CYS 40 9.578 2.298 1.702
240 HB2 CYS 40 HB2 CYS 40 11.361 0.641 0.394
241 HB3 CYS 40 HB1 CYS 40 12.366 1.416 1.614
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 -6.367 -3.102 1.794
2 H2 PHE 1 HT2 PHE 1 -5.839 -1.728 0.963
3 H3 PHE 1 HT3 PHE 1 -7.436 -2.257 0.793
4 HA PHE 1 HA PHE 1 -7.882 -1.780 3.096
5 HB2 PHE 1 HB2 PHE 1 -5.069 -0.662 3.142
6 HB3 PHE 1 HB1 PHE 1 -6.226 -0.595 4.465
7 HD1 PHE 1 HD1 PHE 1 -3.881 -2.692 2.617
8 HD2 PHE 1 HD2 PHE 1 -6.738 -2.578 5.769
9 HE1 PHE 1 HE1 PHE 1 -3.025 -4.837 3.469
10 HE2 PHE 1 HE2 PHE 1 -5.889 -4.724 6.623
11 HZ PHE 1 HZ PHE 1 -4.031 -5.856 5.472
12 H GLN 2 HN GLN 2 -5.719 0.322 1.272
13 HA GLN 2 HA GLN 2 -7.888 2.185 0.690
14 HB2 GLN 2 HB2 GLN 2 -5.399 2.922 2.231
15 HB3 GLN 2 HB1 GLN 2 -6.316 4.118 1.326
16 HG2 GLN 2 HG2 GLN 2 -8.293 3.624 2.673
17 HG3 GLN 2 HG1 GLN 2 -7.375 2.424 3.579
18 HE21 GLN 2 HE21 GLN 2 -5.799 3.104 5.031
19 HE22 GLN 2 HE22 GLN 2 -5.721 4.730 5.608
20 H CYS 3 HN CYS 3 -5.190 0.488 -0.219
21 HA CYS 3 HA CYS 3 -5.007 1.854 -2.789
22 HB2 CYS 3 HB2 CYS 3 -3.236 2.935 -1.514
23 HB3 CYS 3 HB1 CYS 3 -2.626 1.379 -0.970
24 H GLY 4 HN GLY 4 -3.779 0.535 -4.390
25 HA2 GLY 4 HA2 GLY 4 -3.223 -1.414 -5.460
26 HA3 GLY 4 HA1 GLY 4 -2.950 -2.120 -3.881
27 H ARG 5 HN ARG 5 -3.745 -4.082 -4.585
28 HA ARG 5 HA ARG 5 -6.480 -4.316 -5.505
29 HB2 ARG 5 HB2 ARG 5 -5.938 -6.795 -5.557
30 HB3 ARG 5 HB1 ARG 5 -4.998 -5.771 -6.628
31 HG2 ARG 5 HG2 ARG 5 -3.254 -5.770 -4.725
32 HG3 ARG 5 HG1 ARG 5 -4.147 -7.177 -4.133
33 HD2 ARG 5 HD2 ARG 5 -3.904 -8.208 -6.356
34 HD3 ARG 5 HD1 ARG 5 -2.920 -6.833 -6.855
35 HE ARG 5 HE ARG 5 -1.795 -7.921 -4.535
36 HH11 ARG 5 HH11 ARG 5 -2.247 -8.833 -7.896
37 HH12 ARG 5 HH12 ARG 5 -0.846 -9.850 -7.928
38 HH21 ARG 5 HH21 ARG 5 0.445 -10.089 -6.063
39 HH22 ARG 5 HH22 ARG 5 0.035 -9.257 -4.601
40 H GLN 6 HN GLN 6 -4.926 -4.310 -2.476
41 HA GLN 6 HA GLN 6 -6.502 -6.183 -1.039
42 HB2 GLN 6 HB2 GLN 6 -4.324 -4.681 -0.431
43 HB3 GLN 6 HB1 GLN 6 -5.573 -3.779 0.411
44 HG2 GLN 6 HG2 GLN 6 -5.114 -6.741 0.770
45 HG3 GLN 6 HG1 GLN 6 -4.396 -5.506 1.797
46 HE21 GLN 6 HE21 GLN 6 -7.286 -7.203 0.941
47 HE22 GLN 6 HE22 GLN 6 -8.260 -6.641 2.252
48 H ALA 7 HN ALA 7 -7.018 -2.974 -2.159
49 HA ALA 7 HA ALA 7 -9.440 -2.584 -0.574
50 HB1 ALA 7 HB1 ALA 7 -9.347 -0.283 -1.375
51 HB2 ALA 7 HB2 ALA 7 -7.967 -0.691 -2.394
52 HB3 ALA 7 HB3 ALA 7 -7.817 -0.758 -0.639
53 H GLY 8 HN GLY 8 -8.297 -3.011 -3.844
54 HA2 GLY 8 HA2 GLY 8 -9.755 -4.192 -5.411
55 HA3 GLY 8 HA1 GLY 8 -11.093 -3.253 -4.768
56 H GLY 9 HN GLY 9 -9.908 -0.715 -4.751
57 HA2 GLY 9 HA2 GLY 9 -8.671 0.053 -7.150
58 HA3 GLY 9 HA1 GLY 9 -10.410 0.161 -7.376
59 H ALA 10 HN ALA 10 -8.176 0.936 -4.714
60 HA ALA 10 HA ALA 10 -9.467 3.572 -4.478
61 HB1 ALA 10 HB1 ALA 10 -8.740 3.556 -2.145
62 HB2 ALA 10 HB2 ALA 10 -7.948 2.000 -2.394
63 HB3 ALA 10 HB3 ALA 10 -9.702 2.125 -2.516
64 H ARG 11 HN ARG 11 -7.576 4.932 -2.981
65 HA ARG 11 HA ARG 11 -5.080 4.868 -4.520
66 HB2 ARG 11 HB2 ARG 11 -6.908 7.251 -4.237
67 HB3 ARG 11 HB1 ARG 11 -5.202 7.420 -4.625
68 HG2 ARG 11 HG2 ARG 11 -5.527 6.082 -6.646
69 HG3 ARG 11 HG1 ARG 11 -7.238 5.909 -6.255
70 HD2 ARG 11 HD2 ARG 11 -5.911 8.586 -6.608
71 HD3 ARG 11 HD1 ARG 11 -6.629 7.699 -7.950
72 HE ARG 11 HE ARG 11 -8.496 7.934 -5.846
73 HH11 ARG 11 HH11 ARG 11 -6.990 9.898 -8.337
74 HH12 ARG 11 HH12 ARG 11 -8.322 11.000 -8.433
75 HH21 ARG 11 HH21 ARG 11 -10.229 9.388 -5.991
76 HH22 ARG 11 HH22 ARG 11 -10.154 10.711 -7.106
77 H CYS 12 HN CYS 12 -3.293 5.835 -3.509
78 HA CYS 12 HA CYS 12 -3.125 5.517 -0.729
79 HB2 CYS 12 HB2 CYS 12 -1.378 5.833 -2.880
80 HB3 CYS 12 HB1 CYS 12 -1.018 7.182 -1.805
81 H SER 13 HN SER 13 -1.748 7.464 0.496
82 HA SER 13 HA SER 13 -3.734 9.499 0.977
83 HB2 SER 13 HB2 SER 13 -2.192 8.357 2.758
84 HB3 SER 13 HB1 SER 13 -0.975 9.508 2.214
85 HG SER 13 HG SER 13 -3.565 10.267 3.073
86 H ASN 14 HN ASN 14 -0.385 9.465 -0.038
87 HA ASN 14 HA ASN 14 -0.788 11.799 -1.754
88 HB2 ASN 14 HB2 ASN 14 1.375 11.529 0.356
89 HB3 ASN 14 HB1 ASN 14 1.473 12.676 -0.976
90 HD21 ASN 14 HD21 ASN 14 -0.133 11.849 1.989
91 HD22 ASN 14 HD22 ASN 14 -0.918 13.370 2.226
92 H GLY 15 HN GLY 15 1.697 12.043 -2.859
93 HA2 GLY 15 HA2 GLY 15 1.949 9.602 -4.377
94 HA3 GLY 15 HA1 GLY 15 2.903 11.067 -4.589
95 H LEU 16 HN LEU 16 2.393 8.560 -2.129
96 HA LEU 16 HA LEU 16 5.249 8.645 -1.486
97 HB2 LEU 16 HB2 LEU 16 4.344 7.333 0.616
98 HB3 LEU 16 HB1 LEU 16 4.273 9.079 0.522
99 HG LEU 16 HG LEU 16 1.834 8.513 -0.442
100 HD11 LEU 16 HD11 LEU 16 1.912 6.161 -0.342
101 HD12 LEU 16 HD12 LEU 16 0.894 6.691 0.996
102 HD13 LEU 16 HD13 LEU 16 2.553 6.182 1.301
103 HD21 LEU 16 HD21 LEU 16 2.706 9.772 1.708
104 HD22 LEU 16 HD22 LEU 16 2.070 8.331 2.502
105 HD23 LEU 16 HD23 LEU 16 1.018 9.328 1.505
106 H CYS 17 HN CYS 17 3.522 5.928 -0.314
107 HA CYS 17 HA CYS 17 4.648 4.142 -2.357
108 HB2 CYS 17 HB2 CYS 17 4.934 3.248 0.443
109 HB3 CYS 17 HB1 CYS 17 6.056 3.080 -0.901
110 H CYS 18 HN CYS 18 3.830 1.918 -2.192
111 HA CYS 18 HA CYS 18 1.339 1.572 -0.693
112 HB2 CYS 18 HB2 CYS 18 0.786 2.407 -2.995
113 HB3 CYS 18 HB1 CYS 18 1.551 0.967 -3.655
114 H SER 19 HN SER 19 1.359 -0.296 0.345
115 HA SER 19 HA SER 19 3.484 -2.153 0.151
116 HB2 SER 19 HB2 SER 19 0.858 -2.316 1.626
117 HB3 SER 19 HB1 SER 19 2.191 -3.446 1.836
118 HG SER 19 HG SER 19 2.018 -1.557 3.328
119 H GLN 20 HN GLN 20 3.395 -4.402 -0.152
120 HA GLN 20 HA GLN 20 2.801 -5.370 -2.563
121 HB2 GLN 20 HB2 GLN 20 2.943 -6.798 0.058
122 HB3 GLN 20 HB1 GLN 20 2.713 -7.679 -1.445
123 HG2 GLN 20 HG2 GLN 20 4.974 -5.752 -1.225
124 HG3 GLN 20 HG1 GLN 20 5.103 -7.330 -0.451
125 HE21 GLN 20 HE21 GLN 20 5.156 -9.184 -1.724
126 HE22 GLN 20 HE22 GLN 20 5.500 -9.126 -3.416
127 H PHE 21 HN PHE 21 0.587 -5.756 0.149
128 HA PHE 21 HA PHE 21 -1.419 -7.054 -1.460
129 HB2 PHE 21 HB2 PHE 21 -1.428 -6.024 1.375
130 HB3 PHE 21 HB1 PHE 21 -2.828 -6.783 0.627
131 HD1 PHE 21 HD1 PHE 21 -2.935 -9.117 0.284
132 HD2 PHE 21 HD2 PHE 21 0.590 -7.314 1.830
133 HE1 PHE 21 HE1 PHE 21 -2.087 -11.344 0.928
134 HE2 PHE 21 HE2 PHE 21 1.451 -9.533 2.480
135 HZ PHE 21 HZ PHE 21 0.110 -11.551 2.027
136 H GLY 22 HN GLY 22 -0.865 -3.902 -0.113
137 HA2 GLY 22 HA2 GLY 22 -1.717 -2.109 -1.713
138 HA3 GLY 22 HA1 GLY 22 -3.281 -2.860 -1.420
139 H TYR 23 HN TYR 23 -0.519 -1.879 0.600
140 HA TYR 23 HA TYR 23 -2.421 -0.402 2.298
141 HB2 TYR 23 HB2 TYR 23 -0.987 -2.514 3.177
142 HB3 TYR 23 HB1 TYR 23 0.174 -1.228 3.481
143 HD1 TYR 23 HD1 TYR 23 -1.662 0.996 4.289
144 HD2 TYR 23 HD2 TYR 23 -1.671 -3.137 5.308
145 HE1 TYR 23 HE1 TYR 23 -2.850 1.519 6.380
146 HE2 TYR 23 HE2 TYR 23 -2.859 -2.623 7.400
147 HH TYR 23 HH TYR 23 -4.307 0.383 8.006
148 H CYS 24 HN CYS 24 -2.161 1.669 2.379
149 HA CYS 24 HA CYS 24 0.001 2.974 1.026
150 HB2 CYS 24 HB2 CYS 24 -2.432 3.680 1.083
151 HB3 CYS 24 HB1 CYS 24 -2.116 4.272 2.712
152 H GLY 25 HN GLY 25 1.470 4.467 1.871
153 HA2 GLY 25 HA2 GLY 25 1.719 5.330 4.474
154 HA3 GLY 25 HA1 GLY 25 2.542 3.788 4.419
155 H SER 26 HN SER 26 3.644 6.253 5.034
156 HA SER 26 HA SER 26 5.822 6.432 3.067
157 HB2 SER 26 HB2 SER 26 5.798 8.930 3.261
158 HB3 SER 26 HB1 SER 26 4.336 8.313 2.508
159 HG SER 26 HG SER 26 3.197 8.733 4.320
160 H THR 27 HN THR 27 4.787 5.847 6.063
161 HA THR 27 HA THR 27 7.278 6.538 7.376
162 HB THR 27 HB THR 27 6.362 8.469 8.150
163 HG1 THR 27 HG1 THR 27 4.799 6.908 9.910
164 HG21 THR 27 HG21 THR 27 3.529 7.497 8.322
165 HG22 THR 27 HG22 THR 27 4.215 7.907 6.751
166 HG23 THR 27 HG23 THR 27 4.137 9.126 8.023
167 HA PRO 28 HA PRO 28 4.959 3.291 10.063
168 HB2 PRO 28 HB2 PRO 28 2.594 2.288 8.753
169 HB3 PRO 28 HB1 PRO 28 2.675 3.331 10.182
170 HG2 PRO 28 HG2 PRO 28 1.617 4.148 7.820
171 HG3 PRO 28 HG1 PRO 28 2.389 5.247 8.981
172 HD2 PRO 28 HD2 PRO 28 3.625 3.934 6.552
173 HD3 PRO 28 HD1 PRO 28 3.637 5.655 7.014
174 HA PRO 29 HA PRO 29 6.316 -0.658 8.307
175 HB2 PRO 29 HB2 PRO 29 3.870 -2.134 9.145
176 HB3 PRO 29 HB1 PRO 29 5.565 -2.424 9.579
177 HG2 PRO 29 HG2 PRO 29 3.911 -1.417 11.354
178 HG3 PRO 29 HG1 PRO 29 5.570 -0.791 11.213
179 HD2 PRO 29 HD2 PRO 29 3.026 0.378 10.146
180 HD3 PRO 29 HD1 PRO 29 4.355 1.180 11.009
181 H TYR 30 HN TYR 30 5.134 0.888 6.438
182 HA TYR 30 HA TYR 30 4.098 -1.043 4.486
183 HB2 TYR 30 HB2 TYR 30 3.009 1.758 4.473
184 HB3 TYR 30 HB1 TYR 30 2.335 0.318 3.737
185 HD1 TYR 30 HD1 TYR 30 1.777 -1.556 5.655
186 HD2 TYR 30 HD2 TYR 30 1.750 2.661 6.182
187 HE1 TYR 30 HE1 TYR 30 0.253 -1.821 7.568
188 HE2 TYR 30 HE2 TYR 30 0.224 2.407 8.103
189 HH TYR 30 HH TYR 30 -0.392 -0.575 9.588
190 H CYS 31 HN CYS 31 5.724 1.871 5.378
191 HA CYS 31 HA CYS 31 7.433 1.751 3.081
192 HB2 CYS 31 HB2 CYS 31 5.500 3.283 2.439
193 HB3 CYS 31 HB1 CYS 31 6.125 4.392 3.652
194 H GLY 32 HN GLY 32 8.977 1.219 4.499
195 HA2 GLY 32 HA2 GLY 32 10.771 2.979 5.469
196 HA3 GLY 32 HA1 GLY 32 9.620 2.849 6.797
197 H ALA 33 HN ALA 33 8.883 0.374 6.937
198 HA ALA 33 HA ALA 33 10.826 -1.645 6.537
199 HB1 ALA 33 HB1 ALA 33 11.419 -2.121 8.872
200 HB2 ALA 33 HB2 ALA 33 10.525 -0.697 9.404
201 HB3 ALA 33 HB3 ALA 33 11.970 -0.510 8.410
202 H GLY 34 HN GLY 34 9.241 -2.872 5.754
203 HA2 GLY 34 HA2 GLY 34 7.632 -4.397 7.477
204 HA3 GLY 34 HA1 GLY 34 6.640 -3.131 6.766
205 H GLN 35 HN GLN 35 6.257 -3.110 4.557
206 HA GLN 35 HA GLN 35 7.221 -5.296 2.908
207 HB2 GLN 35 HB2 GLN 35 4.754 -5.740 2.187
208 HB3 GLN 35 HB1 GLN 35 5.362 -6.492 3.652
209 HG2 GLN 35 HG2 GLN 35 4.279 -4.711 4.978
210 HG3 GLN 35 HG1 GLN 35 3.620 -4.038 3.491
211 HE21 GLN 35 HE21 GLN 35 1.958 -5.113 2.434
212 HE22 GLN 35 HE22 GLN 35 1.044 -6.367 3.192
213 H CYS 36 HN CYS 36 8.136 -2.997 2.391
214 HA CYS 36 HA CYS 36 6.516 -1.222 0.847
215 HB2 CYS 36 HB2 CYS 36 9.525 -1.458 0.842
216 HB3 CYS 36 HB1 CYS 36 8.577 -0.067 0.335
217 H GLN 37 HN GLN 37 5.773 -1.511 -1.157
218 HA GLN 37 HA GLN 37 7.170 -3.317 -2.989
219 HB2 GLN 37 HB2 GLN 37 4.664 -3.515 -2.456
220 HB3 GLN 37 HB1 GLN 37 4.461 -2.066 -3.427
221 HG2 GLN 37 HG2 GLN 37 5.569 -3.288 -5.313
222 HG3 GLN 37 HG1 GLN 37 5.484 -4.746 -4.325
223 HE21 GLN 37 HE21 GLN 37 3.555 -5.788 -4.078
224 HE22 GLN 37 HE22 GLN 37 2.121 -5.360 -4.942
225 H SER 38 HN SER 38 5.724 -0.054 -2.907
226 HA SER 38 HA SER 38 6.945 0.664 -5.433
227 HB2 SER 38 HB2 SER 38 5.141 2.189 -3.551
228 HB3 SER 38 HB1 SER 38 5.768 2.858 -5.058
229 HG SER 38 HG SER 38 4.753 1.010 -6.102
230 H GLN 39 HN GLN 39 7.050 1.867 -2.121
231 HA GLN 39 HA GLN 39 9.846 2.623 -2.424
232 HB2 GLN 39 HB2 GLN 39 7.610 4.570 -1.935
233 HB3 GLN 39 HB1 GLN 39 9.208 4.881 -1.271
234 HG2 GLN 39 HG2 GLN 39 10.144 4.724 -3.552
235 HG3 GLN 39 HG1 GLN 39 8.509 4.523 -4.176
236 HE21 GLN 39 HE21 GLN 39 7.104 6.271 -4.178
237 HE22 GLN 39 HE22 GLN 39 7.650 7.894 -3.955
238 H CYS 40 HN CYS 40 10.891 3.117 -0.367
239 HA CYS 40 HA CYS 40 9.417 2.189 1.999
240 HB2 CYS 40 HB2 CYS 40 11.243 0.591 0.769
241 HB3 CYS 40 HB1 CYS 40 12.272 1.444 1.915
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 -6.206 -2.064 1.566
2 H2 PHE 1 HT2 PHE 1 -6.957 -2.223 0.059
3 H3 PHE 1 HT3 PHE 1 -7.207 -3.390 1.258
4 HA PHE 1 HA PHE 1 -9.107 -1.954 1.060
5 HB2 PHE 1 HB2 PHE 1 -9.241 -1.232 3.462
6 HB3 PHE 1 HB1 PHE 1 -8.695 -2.890 3.261
7 HD1 PHE 1 HD1 PHE 1 -6.186 -3.354 3.460
8 HD2 PHE 1 HD2 PHE 1 -7.988 0.310 4.665
9 HE1 PHE 1 HE1 PHE 1 -4.237 -2.862 4.877
10 HE2 PHE 1 HE2 PHE 1 -6.039 0.809 6.077
11 HZ PHE 1 HZ PHE 1 -4.162 -0.778 6.183
12 H GLN 2 HN GLN 2 -6.111 -0.241 1.580
13 HA GLN 2 HA GLN 2 -7.438 2.337 1.193
14 HB2 GLN 2 HB2 GLN 2 -4.711 1.573 2.189
15 HB3 GLN 2 HB1 GLN 2 -5.055 3.216 1.668
16 HG2 GLN 2 HG2 GLN 2 -6.893 3.300 3.331
17 HG3 GLN 2 HG1 GLN 2 -6.390 1.711 3.901
18 HE21 GLN 2 HE21 GLN 2 -4.452 1.497 5.020
19 HE22 GLN 2 HE22 GLN 2 -3.631 2.855 5.702
20 H CYS 3 HN CYS 3 -4.845 0.382 -0.152
21 HA CYS 3 HA CYS 3 -5.314 1.299 -2.829
22 HB2 CYS 3 HB2 CYS 3 -3.965 3.146 -2.562
23 HB3 CYS 3 HB1 CYS 3 -3.053 2.422 -1.248
24 H GLY 4 HN GLY 4 -4.689 -0.209 -4.279
25 HA2 GLY 4 HA2 GLY 4 -2.850 -1.812 -4.874
26 HA3 GLY 4 HA1 GLY 4 -3.026 -2.427 -3.240
27 H ARG 5 HN ARG 5 -3.552 -4.488 -3.732
28 HA ARG 5 HA ARG 5 -5.828 -4.981 -5.498
29 HB2 ARG 5 HB2 ARG 5 -5.089 -7.413 -5.296
30 HB3 ARG 5 HB1 ARG 5 -4.013 -6.325 -6.155
31 HG2 ARG 5 HG2 ARG 5 -2.788 -6.111 -3.895
32 HG3 ARG 5 HG1 ARG 5 -3.669 -7.583 -3.466
33 HD2 ARG 5 HD2 ARG 5 -2.806 -8.640 -5.515
34 HD3 ARG 5 HD1 ARG 5 -1.855 -7.189 -5.827
35 HE ARG 5 HE ARG 5 -1.236 -8.103 -3.256
36 HH11 ARG 5 HH11 ARG 5 -0.783 -9.151 -6.578
37 HH12 ARG 5 HH12 ARG 5 0.666 -10.032 -6.223
38 HH21 ARG 5 HH21 ARG 5 1.482 -10.094 -4.094
39 HH22 ARG 5 HH22 ARG 5 0.661 -9.262 -2.815
40 H GLN 6 HN GLN 6 -5.139 -4.853 -2.151
41 HA GLN 6 HA GLN 6 -6.983 -6.826 -1.223
42 HB2 GLN 6 HB2 GLN 6 -5.413 -4.640 0.001
43 HB3 GLN 6 HB1 GLN 6 -6.871 -5.121 0.859
44 HG2 GLN 6 HG2 GLN 6 -4.824 -7.137 -0.025
45 HG3 GLN 6 HG1 GLN 6 -4.680 -6.270 1.502
46 HE21 GLN 6 HE21 GLN 6 -6.155 -6.684 3.151
47 HE22 GLN 6 HE22 GLN 6 -7.159 -8.089 3.155
48 H ALA 7 HN ALA 7 -7.299 -3.722 -2.540
49 HA ALA 7 HA ALA 7 -10.065 -3.404 -1.609
50 HB1 ALA 7 HB1 ALA 7 -8.451 -1.566 -1.114
51 HB2 ALA 7 HB2 ALA 7 -9.848 -1.066 -2.066
52 HB3 ALA 7 HB3 ALA 7 -8.289 -1.318 -2.852
53 H GLY 8 HN GLY 8 -7.968 -3.607 -4.382
54 HA2 GLY 8 HA2 GLY 8 -8.780 -4.663 -6.409
55 HA3 GLY 8 HA1 GLY 8 -10.325 -3.875 -6.137
56 H GLY 9 HN GLY 9 -9.315 -1.293 -5.517
57 HA2 GLY 9 HA2 GLY 9 -7.553 -0.234 -7.422
58 HA3 GLY 9 HA1 GLY 9 -9.173 -0.158 -8.094
59 H ALA 10 HN ALA 10 -7.092 0.937 -5.480
60 HA ALA 10 HA ALA 10 -8.846 3.273 -5.121
61 HB1 ALA 10 HB1 ALA 10 -8.344 3.203 -2.681
62 HB2 ALA 10 HB2 ALA 10 -7.575 1.635 -2.928
63 HB3 ALA 10 HB3 ALA 10 -9.295 1.832 -3.252
64 H ARG 11 HN ARG 11 -7.149 4.527 -3.132
65 HA ARG 11 HA ARG 11 -4.583 4.842 -4.504
66 HB2 ARG 11 HB2 ARG 11 -4.816 7.376 -4.348
67 HB3 ARG 11 HB1 ARG 11 -5.837 6.601 -5.547
68 HG2 ARG 11 HG2 ARG 11 -7.751 6.775 -4.018
69 HG3 ARG 11 HG1 ARG 11 -6.719 7.567 -2.828
70 HD2 ARG 11 HD2 ARG 11 -7.866 9.304 -3.934
71 HD3 ARG 11 HD1 ARG 11 -6.237 9.306 -4.607
72 HE ARG 11 HE ARG 11 -7.834 7.696 -6.235
73 HH11 ARG 11 HH11 ARG 11 -7.594 11.093 -5.375
74 HH12 ARG 11 HH12 ARG 11 -8.244 11.639 -6.885
75 HH21 ARG 11 HH21 ARG 11 -8.682 8.434 -8.203
76 HH22 ARG 11 HH22 ARG 11 -8.860 10.133 -8.484
77 H CYS 12 HN CYS 12 -3.030 6.226 -3.255
78 HA CYS 12 HA CYS 12 -3.034 5.347 -0.505
79 HB2 CYS 12 HB2 CYS 12 -0.998 6.526 -2.357
80 HB3 CYS 12 HB1 CYS 12 -0.686 6.490 -0.625
81 H SER 13 HN SER 13 -1.504 7.205 0.823
82 HA SER 13 HA SER 13 -3.460 9.186 1.532
83 HB2 SER 13 HB2 SER 13 -0.764 8.405 2.640
84 HB3 SER 13 HB1 SER 13 -1.589 9.852 3.219
85 HG SER 13 HG SER 13 -1.957 7.688 4.299
86 H ASN 14 HN ASN 14 -0.097 9.364 0.495
87 HA ASN 14 HA ASN 14 -0.630 11.842 -0.975
88 HB2 ASN 14 HB2 ASN 14 1.521 11.492 1.131
89 HB3 ASN 14 HB1 ASN 14 1.558 12.778 -0.070
90 HD21 ASN 14 HD21 ASN 14 0.048 14.441 0.042
91 HD22 ASN 14 HD22 ASN 14 -0.872 14.748 1.471
92 H GLY 15 HN GLY 15 1.966 12.368 -1.844
93 HA2 GLY 15 HA2 GLY 15 2.341 10.279 -3.790
94 HA3 GLY 15 HA1 GLY 15 3.286 11.757 -3.647
95 H LEU 16 HN LEU 16 2.658 8.867 -1.716
96 HA LEU 16 HA LEU 16 5.513 8.683 -1.044
97 HB2 LEU 16 HB2 LEU 16 4.395 7.191 0.884
98 HB3 LEU 16 HB1 LEU 16 4.601 8.920 1.023
99 HG LEU 16 HG LEU 16 2.146 8.909 -0.031
100 HD11 LEU 16 HD11 LEU 16 2.330 6.294 1.433
101 HD12 LEU 16 HD12 LEU 16 1.929 6.539 -0.267
102 HD13 LEU 16 HD13 LEU 16 0.828 7.103 0.990
103 HD21 LEU 16 HD21 LEU 16 2.587 8.356 2.885
104 HD22 LEU 16 HD22 LEU 16 1.288 9.284 2.142
105 HD23 LEU 16 HD23 LEU 16 2.935 9.907 2.120
106 H CYS 17 HN CYS 17 3.803 5.933 -0.061
107 HA CYS 17 HA CYS 17 4.328 4.449 -2.530
108 HB2 CYS 17 HB2 CYS 17 5.588 2.713 -1.346
109 HB3 CYS 17 HB1 CYS 17 6.369 4.269 -1.092
110 H CYS 18 HN CYS 18 3.641 2.006 -2.064
111 HA CYS 18 HA CYS 18 1.178 1.919 -0.477
112 HB2 CYS 18 HB2 CYS 18 0.660 2.537 -2.871
113 HB3 CYS 18 HB1 CYS 18 1.309 0.973 -3.347
114 H SER 19 HN SER 19 0.978 0.094 0.630
115 HA SER 19 HA SER 19 2.952 -1.998 0.347
116 HB2 SER 19 HB2 SER 19 0.732 -1.572 2.338
117 HB3 SER 19 HB1 SER 19 1.874 -2.910 2.411
118 HG SER 19 HG SER 19 2.757 -1.367 3.674
119 H GLN 20 HN GLN 20 2.493 -4.196 0.209
120 HA GLN 20 HA GLN 20 0.917 -4.965 -1.927
121 HB2 GLN 20 HB2 GLN 20 2.178 -6.603 0.255
122 HB3 GLN 20 HB1 GLN 20 1.416 -7.311 -1.160
123 HG2 GLN 20 HG2 GLN 20 3.021 -6.000 -2.564
124 HG3 GLN 20 HG1 GLN 20 3.851 -5.552 -1.073
125 HE21 GLN 20 HE21 GLN 20 4.976 -7.117 0.081
126 HE22 GLN 20 HE22 GLN 20 5.416 -8.634 -0.618
127 H PHE 21 HN PHE 21 -0.278 -4.491 1.258
128 HA PHE 21 HA PHE 21 -2.566 -6.208 0.572
129 HB2 PHE 21 HB2 PHE 21 -0.934 -6.192 2.964
130 HB3 PHE 21 HB1 PHE 21 -2.650 -6.032 3.330
131 HD1 PHE 21 HD1 PHE 21 -4.112 -7.855 3.135
132 HD2 PHE 21 HD2 PHE 21 -0.170 -8.129 1.556
133 HE1 PHE 21 HE1 PHE 21 -4.415 -10.276 2.809
134 HE2 PHE 21 HE2 PHE 21 -0.465 -10.552 1.227
135 HZ PHE 21 HZ PHE 21 -2.591 -11.627 1.852
136 H GLY 22 HN GLY 22 -2.258 -3.314 0.076
137 HA2 GLY 22 HA2 GLY 22 -3.992 -1.762 -0.191
138 HA3 GLY 22 HA1 GLY 22 -4.907 -2.611 1.039
139 H TYR 23 HN TYR 23 -1.611 -1.583 1.465
140 HA TYR 23 HA TYR 23 -2.548 0.468 3.356
141 HB2 TYR 23 HB2 TYR 23 -0.779 -1.769 3.765
142 HB3 TYR 23 HB1 TYR 23 0.080 -0.265 4.073
143 HD1 TYR 23 HD1 TYR 23 -1.706 1.475 5.399
144 HD2 TYR 23 HD2 TYR 23 -1.472 -2.765 5.681
145 HE1 TYR 23 HE1 TYR 23 -2.740 1.573 7.637
146 HE2 TYR 23 HE2 TYR 23 -2.507 -2.682 7.915
147 HH TYR 23 HH TYR 23 -2.787 -1.079 9.756
148 H CYS 24 HN CYS 24 -1.107 2.261 3.713
149 HA CYS 24 HA CYS 24 0.919 2.804 1.700
150 HB2 CYS 24 HB2 CYS 24 -1.487 4.599 2.071
151 HB3 CYS 24 HB1 CYS 24 -0.073 4.973 1.090
152 H GLY 25 HN GLY 25 2.245 4.636 2.242
153 HA2 GLY 25 HA2 GLY 25 1.870 6.216 4.518
154 HA3 GLY 25 HA1 GLY 25 2.782 4.797 4.999
155 H SER 26 HN SER 26 4.099 6.739 5.552
156 HA SER 26 HA SER 26 6.302 6.964 3.669
157 HB2 SER 26 HB2 SER 26 4.746 8.910 3.160
158 HB3 SER 26 HB1 SER 26 5.056 9.492 4.790
159 HG SER 26 HG SER 26 7.242 8.892 3.154
160 H THR 27 HN THR 27 5.239 6.159 6.503
161 HA THR 27 HA THR 27 7.614 6.935 7.981
162 HB THR 27 HB THR 27 6.533 8.647 8.985
163 HG1 THR 27 HG1 THR 27 4.830 7.024 10.454
164 HG21 THR 27 HG21 THR 27 4.494 8.100 7.360
165 HG22 THR 27 HG22 THR 27 4.334 9.244 8.691
166 HG23 THR 27 HG23 THR 27 3.742 7.594 8.875
167 HA PRO 28 HA PRO 28 5.659 3.186 10.235
168 HB2 PRO 28 HB2 PRO 28 3.201 2.291 9.040
169 HB3 PRO 28 HB1 PRO 28 3.390 3.195 10.553
170 HG2 PRO 28 HG2 PRO 28 2.127 4.209 8.366
171 HG3 PRO 28 HG1 PRO 28 2.968 5.210 9.565
172 HD2 PRO 28 HD2 PRO 28 4.053 4.146 6.946
173 HD3 PRO 28 HD1 PRO 28 4.047 5.827 7.542
174 HA PRO 29 HA PRO 29 6.915 -0.529 7.918
175 HB2 PRO 29 HB2 PRO 29 5.013 -2.460 8.514
176 HB3 PRO 29 HB1 PRO 29 6.378 -2.032 9.562
177 HG2 PRO 29 HG2 PRO 29 3.547 -1.103 9.688
178 HG3 PRO 29 HG1 PRO 29 4.626 -1.622 11.002
179 HD2 PRO 29 HD2 PRO 29 4.210 0.949 10.591
180 HD3 PRO 29 HD1 PRO 29 5.842 0.360 10.961
181 H TYR 30 HN TYR 30 5.635 1.229 6.331
182 HA TYR 30 HA TYR 30 4.340 -0.452 4.306
183 HB2 TYR 30 HB2 TYR 30 3.363 2.368 4.757
184 HB3 TYR 30 HB1 TYR 30 2.594 1.075 3.853
185 HD1 TYR 30 HD1 TYR 30 2.274 -1.113 5.642
186 HD2 TYR 30 HD2 TYR 30 2.070 3.040 6.528
187 HE1 TYR 30 HE1 TYR 30 0.867 -1.611 7.594
188 HE2 TYR 30 HE2 TYR 30 0.663 2.549 8.491
189 HH TYR 30 HH TYR 30 0.283 -0.569 9.748
190 H CYS 31 HN CYS 31 6.143 2.355 5.314
191 HA CYS 31 HA CYS 31 7.372 2.548 2.682
192 HB2 CYS 31 HB2 CYS 31 5.802 4.565 3.887
193 HB3 CYS 31 HB1 CYS 31 7.480 5.105 3.870
194 H GLY 32 HN GLY 32 7.729 2.349 6.006
195 HA2 GLY 32 HA2 GLY 32 10.605 2.825 5.669
196 HA3 GLY 32 HA1 GLY 32 9.737 3.268 7.133
197 H ALA 33 HN ALA 33 10.533 0.515 5.065
198 HA ALA 33 HA ALA 33 11.018 -1.662 5.436
199 HB1 ALA 33 HB1 ALA 33 12.087 -2.336 7.512
200 HB2 ALA 33 HB2 ALA 33 11.564 -0.844 8.293
201 HB3 ALA 33 HB3 ALA 33 12.731 -0.785 6.972
202 H GLY 34 HN GLY 34 9.173 -2.705 5.058
203 HA2 GLY 34 HA2 GLY 34 7.814 -4.001 7.155
204 HA3 GLY 34 HA1 GLY 34 6.848 -2.637 6.616
205 H GLN 35 HN GLN 35 5.731 -2.756 4.726
206 HA GLN 35 HA GLN 35 6.038 -5.186 3.090
207 HB2 GLN 35 HB2 GLN 35 3.331 -4.065 3.839
208 HB3 GLN 35 HB1 GLN 35 3.679 -5.593 3.048
209 HG2 GLN 35 HG2 GLN 35 4.838 -6.281 5.195
210 HG3 GLN 35 HG1 GLN 35 4.118 -4.846 5.925
211 HE21 GLN 35 HE21 GLN 35 3.511 -7.992 4.577
212 HE22 GLN 35 HE22 GLN 35 1.888 -8.148 5.146
213 H CYS 36 HN CYS 36 7.088 -2.663 2.456
214 HA CYS 36 HA CYS 36 5.370 -1.099 0.814
215 HB2 CYS 36 HB2 CYS 36 7.597 -0.140 -0.012
216 HB3 CYS 36 HB1 CYS 36 7.226 0.028 1.701
217 H GLN 37 HN GLN 37 4.578 -1.566 -1.110
218 HA GLN 37 HA GLN 37 5.909 -3.510 -2.839
219 HB2 GLN 37 HB2 GLN 37 3.435 -3.653 -2.223
220 HB3 GLN 37 HB1 GLN 37 3.195 -2.249 -3.248
221 HG2 GLN 37 HG2 GLN 37 4.066 -3.505 -5.161
222 HG3 GLN 37 HG1 GLN 37 4.271 -4.918 -4.130
223 HE21 GLN 37 HE21 GLN 37 1.996 -2.836 -5.732
224 HE22 GLN 37 HE22 GLN 37 0.623 -3.871 -5.576
225 H SER 38 HN SER 38 4.660 -0.177 -2.903
226 HA SER 38 HA SER 38 5.471 0.332 -5.596
227 HB2 SER 38 HB2 SER 38 4.613 2.263 -3.437
228 HB3 SER 38 HB1 SER 38 4.786 2.657 -5.146
229 HG SER 38 HG SER 38 3.232 0.752 -5.361
230 H GLN 39 HN GLN 39 6.566 1.784 -2.560
231 HA GLN 39 HA GLN 39 9.324 1.792 -3.518
232 HB2 GLN 39 HB2 GLN 39 7.734 4.256 -2.866
233 HB3 GLN 39 HB1 GLN 39 9.475 4.232 -2.620
234 HG2 GLN 39 HG2 GLN 39 9.799 3.695 -4.980
235 HG3 GLN 39 HG1 GLN 39 8.053 3.716 -5.223
236 HE21 GLN 39 HE21 GLN 39 10.894 5.628 -4.641
237 HE22 GLN 39 HE22 GLN 39 10.187 7.160 -5.010
238 H CYS 40 HN CYS 40 10.887 1.953 -1.887
239 HA CYS 40 HA CYS 40 9.875 1.676 0.864
240 HB2 CYS 40 HB2 CYS 40 12.219 0.186 -0.336
241 HB3 CYS 40 HB1 CYS 40 11.602 0.014 1.304
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 -7.555 -1.204 5.249
2 H2 PHE 1 HT2 PHE 1 -6.422 0.034 5.462
3 H3 PHE 1 HT3 PHE 1 -5.962 -1.578 5.682
4 HA PHE 1 HA PHE 1 -5.153 -0.730 3.581
5 HB2 PHE 1 HB2 PHE 1 -7.298 -2.850 3.503
6 HB3 PHE 1 HB1 PHE 1 -6.295 -2.473 2.106
7 HD1 PHE 1 HD1 PHE 1 -3.992 -3.118 2.020
8 HD2 PHE 1 HD2 PHE 1 -6.331 -3.880 5.491
9 HE1 PHE 1 HE1 PHE 1 -2.258 -4.652 2.849
10 HE2 PHE 1 HE2 PHE 1 -4.599 -5.415 6.329
11 HZ PHE 1 HZ PHE 1 -2.559 -5.805 5.004
12 H GLN 2 HN GLN 2 -5.431 0.464 1.797
13 HA GLN 2 HA GLN 2 -8.123 1.296 0.992
14 HB2 GLN 2 HB2 GLN 2 -5.861 3.216 1.575
15 HB3 GLN 2 HB1 GLN 2 -7.368 3.661 0.791
16 HG2 GLN 2 HG2 GLN 2 -8.570 2.928 2.848
17 HG3 GLN 2 HG1 GLN 2 -6.999 2.693 3.614
18 HE21 GLN 2 HE21 GLN 2 -5.740 4.482 4.123
19 HE22 GLN 2 HE22 GLN 2 -6.391 6.081 4.177
20 H CYS 3 HN CYS 3 -4.735 1.029 0.299
21 HA CYS 3 HA CYS 3 -5.078 1.680 -2.528
22 HB2 CYS 3 HB2 CYS 3 -3.252 2.766 -1.390
23 HB3 CYS 3 HB1 CYS 3 -2.646 1.231 -0.786
24 H GLY 4 HN GLY 4 -3.641 0.317 -4.034
25 HA2 GLY 4 HA2 GLY 4 -3.171 -1.631 -5.119
26 HA3 GLY 4 HA1 GLY 4 -2.972 -2.358 -3.544
27 H ARG 5 HN ARG 5 -3.740 -4.238 -4.671
28 HA ARG 5 HA ARG 5 -6.465 -4.382 -5.552
29 HB2 ARG 5 HB2 ARG 5 -5.983 -6.834 -5.791
30 HB3 ARG 5 HB1 ARG 5 -4.886 -5.786 -6.675
31 HG2 ARG 5 HG2 ARG 5 -3.394 -6.023 -4.555
32 HG3 ARG 5 HG1 ARG 5 -4.374 -7.465 -4.270
33 HD2 ARG 5 HD2 ARG 5 -3.854 -8.205 -6.567
34 HD3 ARG 5 HD1 ARG 5 -2.781 -6.817 -6.735
35 HE ARG 5 HE ARG 5 -1.982 -8.204 -4.460
36 HH11 ARG 5 HH11 ARG 5 -2.103 -8.803 -7.919
37 HH12 ARG 5 HH12 ARG 5 -0.760 -9.896 -7.892
38 HH21 ARG 5 HH21 ARG 5 0.302 -10.366 -5.930
39 HH22 ARG 5 HH22 ARG 5 -0.225 -9.636 -4.450
40 H GLN 6 HN GLN 6 -5.013 -4.528 -2.482
41 HA GLN 6 HA GLN 6 -6.605 -6.461 -1.157
42 HB2 GLN 6 HB2 GLN 6 -4.554 -4.719 -0.432
43 HB3 GLN 6 HB1 GLN 6 -5.932 -4.171 0.511
44 HG2 GLN 6 HG2 GLN 6 -4.868 -7.000 0.466
45 HG3 GLN 6 HG1 GLN 6 -4.546 -5.810 1.725
46 HE21 GLN 6 HE21 GLN 6 -6.191 -5.261 3.165
47 HE22 GLN 6 HE22 GLN 6 -7.612 -6.226 3.351
48 H ALA 7 HN ALA 7 -7.216 -3.369 -2.394
49 HA ALA 7 HA ALA 7 -9.869 -3.211 -1.151
50 HB1 ALA 7 HB1 ALA 7 -8.371 -1.557 -0.165
51 HB2 ALA 7 HB2 ALA 7 -9.631 -0.779 -1.123
52 HB3 ALA 7 HB3 ALA 7 -7.999 -0.938 -1.773
53 H GLY 8 HN GLY 8 -7.809 -2.463 -3.882
54 HA2 GLY 8 HA2 GLY 8 -9.216 -3.197 -6.006
55 HA3 GLY 8 HA1 GLY 8 -10.057 -1.712 -5.584
56 H GLY 9 HN GLY 9 -8.583 0.223 -5.284
57 HA2 GLY 9 HA2 GLY 9 -6.035 0.396 -6.440
58 HA3 GLY 9 HA1 GLY 9 -7.216 0.756 -7.689
59 H ALA 10 HN ALA 10 -5.925 1.784 -4.566
60 HA ALA 10 HA ALA 10 -6.665 4.545 -5.190
61 HB1 ALA 10 HB1 ALA 10 -7.618 4.948 -2.979
62 HB2 ALA 10 HB2 ALA 10 -7.377 3.254 -2.552
63 HB3 ALA 10 HB3 ALA 10 -8.518 3.688 -3.824
64 H ARG 11 HN ARG 11 -5.818 5.932 -3.094
65 HA ARG 11 HA ARG 11 -3.183 4.970 -2.253
66 HB2 ARG 11 HB2 ARG 11 -2.187 7.247 -2.797
67 HB3 ARG 11 HB1 ARG 11 -2.562 6.251 -4.191
68 HG2 ARG 11 HG2 ARG 11 -4.581 8.253 -3.286
69 HG3 ARG 11 HG1 ARG 11 -3.146 8.814 -4.144
70 HD2 ARG 11 HD2 ARG 11 -4.939 6.633 -5.191
71 HD3 ARG 11 HD1 ARG 11 -5.183 8.337 -5.566
72 HE ARG 11 HE ARG 11 -2.539 7.710 -6.182
73 HH11 ARG 11 HH11 ARG 11 -5.740 6.841 -7.338
74 HH12 ARG 11 HH12 ARG 11 -5.197 6.529 -8.953
75 HH21 ARG 11 HH21 ARG 11 -1.852 7.296 -8.302
76 HH22 ARG 11 HH22 ARG 11 -2.997 6.787 -9.497
77 H CYS 12 HN CYS 12 -2.280 6.182 -0.406
78 HA CYS 12 HA CYS 12 -4.419 6.977 1.382
79 HB2 CYS 12 HB2 CYS 12 -1.506 6.459 1.825
80 HB3 CYS 12 HB1 CYS 12 -2.510 7.174 3.076
81 H SER 13 HN SER 13 -1.247 8.551 1.198
82 HA SER 13 HA SER 13 -2.525 11.088 1.753
83 HB2 SER 13 HB2 SER 13 -0.515 10.400 3.049
84 HB3 SER 13 HB1 SER 13 0.436 10.462 1.566
85 HG SER 13 HG SER 13 -0.897 12.761 1.833
86 H ASN 14 HN ASN 14 0.393 11.323 -0.071
87 HA ASN 14 HA ASN 14 -1.063 11.869 -2.552
88 HB2 ASN 14 HB2 ASN 14 -0.712 13.965 -1.070
89 HB3 ASN 14 HB1 ASN 14 0.973 13.848 -1.564
90 HD21 ASN 14 HD21 ASN 14 -2.281 14.495 -2.588
91 HD22 ASN 14 HD22 ASN 14 -1.881 15.189 -4.119
92 H GLY 15 HN GLY 15 -0.115 10.013 -3.404
93 HA2 GLY 15 HA2 GLY 15 1.429 8.795 -4.585
94 HA3 GLY 15 HA1 GLY 15 2.225 10.327 -4.890
95 H LEU 16 HN LEU 16 1.783 8.308 -1.976
96 HA LEU 16 HA LEU 16 4.584 8.724 -1.294
97 HB2 LEU 16 HB2 LEU 16 3.716 7.209 0.756
98 HB3 LEU 16 HB1 LEU 16 3.536 8.947 0.706
99 HG LEU 16 HG LEU 16 1.200 8.686 -0.009
100 HD11 LEU 16 HD11 LEU 16 0.071 6.679 -0.250
101 HD12 LEU 16 HD12 LEU 16 1.360 5.753 0.518
102 HD13 LEU 16 HD13 LEU 16 1.590 6.409 -1.104
103 HD21 LEU 16 HD21 LEU 16 1.859 7.092 2.447
104 HD22 LEU 16 HD22 LEU 16 0.321 7.879 2.093
105 HD23 LEU 16 HD23 LEU 16 1.767 8.850 2.359
106 H CYS 17 HN CYS 17 3.159 5.813 -0.202
107 HA CYS 17 HA CYS 17 4.523 4.132 -2.174
108 HB2 CYS 17 HB2 CYS 17 4.950 3.232 0.595
109 HB3 CYS 17 HB1 CYS 17 6.076 3.255 -0.753
110 H CYS 18 HN CYS 18 3.783 1.882 -2.076
111 HA CYS 18 HA CYS 18 1.389 1.430 -0.468
112 HB2 CYS 18 HB2 CYS 18 0.626 2.365 -2.607
113 HB3 CYS 18 HB1 CYS 18 1.448 1.068 -3.464
114 H SER 19 HN SER 19 1.337 -0.462 0.440
115 HA SER 19 HA SER 19 3.445 -2.329 0.198
116 HB2 SER 19 HB2 SER 19 0.792 -2.501 1.627
117 HB3 SER 19 HB1 SER 19 2.081 -3.689 1.793
118 HG SER 19 HG SER 19 3.424 -1.985 2.557
119 H GLN 20 HN GLN 20 3.361 -4.543 -0.271
120 HA GLN 20 HA GLN 20 2.666 -5.305 -2.760
121 HB2 GLN 20 HB2 GLN 20 4.006 -6.473 -0.782
122 HB3 GLN 20 HB1 GLN 20 2.543 -7.443 -0.723
123 HG2 GLN 20 HG2 GLN 20 2.834 -7.999 -3.099
124 HG3 GLN 20 HG1 GLN 20 4.328 -7.061 -3.119
125 HE21 GLN 20 HE21 GLN 20 6.141 -7.850 -2.051
126 HE22 GLN 20 HE22 GLN 20 6.274 -9.500 -1.560
127 H PHE 21 HN PHE 21 0.604 -5.656 0.034
128 HA PHE 21 HA PHE 21 -1.445 -7.079 -1.424
129 HB2 PHE 21 HB2 PHE 21 -1.219 -6.034 1.382
130 HB3 PHE 21 HB1 PHE 21 -2.728 -6.685 0.764
131 HD1 PHE 21 HD1 PHE 21 0.669 -7.430 1.786
132 HD2 PHE 21 HD2 PHE 21 -2.975 -9.014 0.284
133 HE1 PHE 21 HE1 PHE 21 1.439 -9.709 2.354
134 HE2 PHE 21 HE2 PHE 21 -2.224 -11.301 0.846
135 HZ PHE 21 HZ PHE 21 -0.014 -11.647 1.883
136 H GLY 22 HN GLY 22 -0.911 -3.898 -0.123
137 HA2 GLY 22 HA2 GLY 22 -1.862 -2.153 -1.728
138 HA3 GLY 22 HA1 GLY 22 -3.396 -2.924 -1.343
139 H TYR 23 HN TYR 23 -0.575 -1.986 0.591
140 HA TYR 23 HA TYR 23 -2.387 -0.351 2.241
141 HB2 TYR 23 HB2 TYR 23 -1.068 -2.531 3.172
142 HB3 TYR 23 HB1 TYR 23 0.137 -1.288 3.485
143 HD1 TYR 23 HD1 TYR 23 -2.106 -3.089 5.153
144 HD2 TYR 23 HD2 TYR 23 -1.363 1.023 4.340
145 HE1 TYR 23 HE1 TYR 23 -3.323 -2.468 7.200
146 HE2 TYR 23 HE2 TYR 23 -2.580 1.654 6.384
147 HH TYR 23 HH TYR 23 -4.296 0.714 7.872
148 H CYS 24 HN CYS 24 -2.101 1.639 1.566
149 HA CYS 24 HA CYS 24 0.440 2.616 0.648
150 HB2 CYS 24 HB2 CYS 24 -0.950 4.833 0.576
151 HB3 CYS 24 HB1 CYS 24 -1.287 3.555 -0.578
152 H GLY 25 HN GLY 25 1.913 3.721 1.653
153 HA2 GLY 25 HA2 GLY 25 1.358 5.235 4.054
154 HA3 GLY 25 HA1 GLY 25 2.359 3.811 4.301
155 H SER 26 HN SER 26 3.525 5.980 5.028
156 HA SER 26 HA SER 26 5.643 6.430 3.068
157 HB2 SER 26 HB2 SER 26 3.891 8.259 2.780
158 HB3 SER 26 HB1 SER 26 4.321 8.804 4.396
159 HG SER 26 HG SER 26 6.428 8.403 2.641
160 H THR 27 HN THR 27 4.665 5.720 6.109
161 HA THR 27 HA THR 27 7.246 6.266 7.285
162 HB THR 27 HB THR 27 6.444 8.306 7.993
163 HG1 THR 27 HG1 THR 27 5.264 7.127 10.192
164 HG21 THR 27 HG21 THR 27 3.721 7.235 8.715
165 HG22 THR 27 HG22 THR 27 4.098 7.855 7.108
166 HG23 THR 27 HG23 THR 27 4.222 8.914 8.513
167 HA PRO 28 HA PRO 28 4.862 3.130 10.066
168 HB2 PRO 28 HB2 PRO 28 2.532 2.117 8.685
169 HB3 PRO 28 HB1 PRO 28 2.580 3.089 10.165
170 HG2 PRO 28 HG2 PRO 28 1.525 3.994 7.841
171 HG3 PRO 28 HG1 PRO 28 2.268 5.053 9.058
172 HD2 PRO 28 HD2 PRO 28 3.515 3.920 6.553
173 HD3 PRO 28 HD1 PRO 28 3.529 5.597 7.147
174 HA PRO 29 HA PRO 29 6.340 -0.798 8.348
175 HB2 PRO 29 HB2 PRO 29 4.385 -2.686 8.930
176 HB3 PRO 29 HB1 PRO 29 5.621 -2.122 10.071
177 HG2 PRO 29 HG2 PRO 29 2.792 -1.227 9.768
178 HG3 PRO 29 HG1 PRO 29 3.712 -1.583 11.246
179 HD2 PRO 29 HD2 PRO 29 3.346 0.922 10.507
180 HD3 PRO 29 HD1 PRO 29 4.927 0.398 11.123
181 H TYR 30 HN TYR 30 5.130 0.779 6.461
182 HA TYR 30 HA TYR 30 4.237 -1.164 4.456
183 HB2 TYR 30 HB2 TYR 30 2.986 1.580 4.493
184 HB3 TYR 30 HB1 TYR 30 2.418 0.123 3.693
185 HD1 TYR 30 HD1 TYR 30 1.804 2.312 6.330
186 HD2 TYR 30 HD2 TYR 30 1.795 -1.844 5.420
187 HE1 TYR 30 HE1 TYR 30 0.268 1.903 8.210
188 HE2 TYR 30 HE2 TYR 30 0.262 -2.263 7.297
189 HH TYR 30 HH TYR 30 -1.383 0.224 8.912
190 H CYS 31 HN CYS 31 5.593 1.875 5.417
191 HA CYS 31 HA CYS 31 7.392 1.882 3.153
192 HB2 CYS 31 HB2 CYS 31 5.385 3.422 2.654
193 HB3 CYS 31 HB1 CYS 31 6.053 4.463 3.904
194 H GLY 32 HN GLY 32 8.862 1.214 4.668
195 HA2 GLY 32 HA2 GLY 32 10.797 2.487 5.727
196 HA3 GLY 32 HA1 GLY 32 9.561 3.106 6.821
197 H ALA 33 HN ALA 33 10.506 -0.020 5.449
198 HA ALA 33 HA ALA 33 10.999 -2.048 6.314
199 HB1 ALA 33 HB1 ALA 33 10.907 -0.784 9.063
200 HB2 ALA 33 HB2 ALA 33 12.346 -0.927 8.053
201 HB3 ALA 33 HB3 ALA 33 11.549 -2.378 8.662
202 H GLY 34 HN GLY 34 9.395 -3.290 5.815
203 HA2 GLY 34 HA2 GLY 34 7.575 -4.385 7.529
204 HA3 GLY 34 HA1 GLY 34 6.739 -2.989 6.860
205 H GLN 35 HN GLN 35 6.308 -2.900 4.636
206 HA GLN 35 HA GLN 35 6.896 -5.171 2.947
207 HB2 GLN 35 HB2 GLN 35 4.406 -5.436 2.351
208 HB3 GLN 35 HB1 GLN 35 4.959 -6.155 3.853
209 HG2 GLN 35 HG2 GLN 35 4.026 -4.269 5.101
210 HG3 GLN 35 HG1 GLN 35 3.480 -3.539 3.594
211 HE21 GLN 35 HE21 GLN 35 2.982 -6.087 5.897
212 HE22 GLN 35 HE22 GLN 35 1.428 -6.581 5.327
213 H CYS 36 HN CYS 36 8.038 -3.060 2.301
214 HA CYS 36 HA CYS 36 6.432 -1.174 0.797
215 HB2 CYS 36 HB2 CYS 36 9.441 -1.411 0.959
216 HB3 CYS 36 HB1 CYS 36 8.532 -0.035 0.347
217 H GLN 37 HN GLN 37 5.732 -1.561 -1.204
218 HA GLN 37 HA GLN 37 7.230 -3.355 -2.961
219 HB2 GLN 37 HB2 GLN 37 4.708 -3.564 -2.539
220 HB3 GLN 37 HB1 GLN 37 4.535 -2.114 -3.517
221 HG2 GLN 37 HG2 GLN 37 5.733 -3.335 -5.353
222 HG3 GLN 37 HG1 GLN 37 5.594 -4.792 -4.373
223 HE21 GLN 37 HE21 GLN 37 3.629 -5.800 -4.178
224 HE22 GLN 37 HE22 GLN 37 2.248 -5.372 -5.123
225 H SER 38 HN SER 38 5.823 -0.080 -2.941
226 HA SER 38 HA SER 38 7.174 0.602 -5.417
227 HB2 SER 38 HB2 SER 38 5.225 2.152 -3.709
228 HB3 SER 38 HB1 SER 38 5.926 2.762 -5.209
229 HG SER 38 HG SER 38 5.034 0.649 -6.080
230 H GLN 39 HN GLN 39 6.976 1.999 -2.171
231 HA GLN 39 HA GLN 39 9.787 2.796 -2.336
232 HB2 GLN 39 HB2 GLN 39 7.473 4.671 -1.886
233 HB3 GLN 39 HB1 GLN 39 9.079 5.046 -1.280
234 HG2 GLN 39 HG2 GLN 39 8.620 4.386 -4.167
235 HG3 GLN 39 HG1 GLN 39 8.363 6.014 -3.544
236 HE21 GLN 39 HE21 GLN 39 10.702 3.543 -4.245
237 HE22 GLN 39 HE22 GLN 39 12.104 4.543 -4.109
238 H CYS 40 HN CYS 40 10.783 3.237 -0.302
239 HA CYS 40 HA CYS 40 9.266 2.392 2.065
240 HB2 CYS 40 HB2 CYS 40 11.055 0.721 0.877
241 HB3 CYS 40 HB1 CYS 40 12.098 1.564 2.018
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 -6.316 -3.621 2.013
2 H2 PHE 1 HT2 PHE 1 -5.974 -2.256 1.072
3 H3 PHE 1 HT3 PHE 1 -7.563 -2.824 1.194
4 HA PHE 1 HA PHE 1 -7.646 -2.278 3.503
5 HB2 PHE 1 HB2 PHE 1 -4.798 -1.368 3.062
6 HB3 PHE 1 HB1 PHE 1 -5.739 -0.968 4.494
7 HD1 PHE 1 HD1 PHE 1 -6.285 -2.665 6.132
8 HD2 PHE 1 HD2 PHE 1 -3.911 -3.588 2.723
9 HE1 PHE 1 HE1 PHE 1 -5.567 -4.757 7.208
10 HE2 PHE 1 HE2 PHE 1 -3.185 -5.684 3.798
11 HZ PHE 1 HZ PHE 1 -4.015 -6.270 6.039
12 H GLN 2 HN GLN 2 -5.695 -0.166 1.463
13 HA GLN 2 HA GLN 2 -7.923 1.674 1.069
14 HB2 GLN 2 HB2 GLN 2 -5.345 2.438 2.443
15 HB3 GLN 2 HB1 GLN 2 -6.349 3.626 1.626
16 HG2 GLN 2 HG2 GLN 2 -8.215 3.055 3.106
17 HG3 GLN 2 HG1 GLN 2 -7.190 1.882 3.932
18 HE21 GLN 2 HE21 GLN 2 -5.534 2.608 5.266
19 HE22 GLN 2 HE22 GLN 2 -5.466 4.234 5.846
20 H CYS 3 HN CYS 3 -5.179 0.092 -0.016
21 HA CYS 3 HA CYS 3 -5.197 1.539 -2.557
22 HB2 CYS 3 HB2 CYS 3 -3.389 2.599 -1.351
23 HB3 CYS 3 HB1 CYS 3 -2.737 1.045 -0.856
24 H GLY 4 HN GLY 4 -3.739 0.313 -4.185
25 HA2 GLY 4 HA2 GLY 4 -3.249 -1.568 -5.387
26 HA3 GLY 4 HA1 GLY 4 -2.996 -2.369 -3.851
27 H ARG 5 HN ARG 5 -3.904 -4.279 -4.198
28 HA ARG 5 HA ARG 5 -6.631 -4.411 -5.259
29 HB2 ARG 5 HB2 ARG 5 -6.157 -6.870 -5.513
30 HB3 ARG 5 HB1 ARG 5 -5.132 -5.822 -6.481
31 HG2 ARG 5 HG2 ARG 5 -3.536 -6.046 -4.385
32 HG3 ARG 5 HG1 ARG 5 -4.441 -7.550 -4.172
33 HD2 ARG 5 HD2 ARG 5 -3.951 -8.113 -6.527
34 HD3 ARG 5 HD1 ARG 5 -2.948 -6.666 -6.628
35 HE ARG 5 HE ARG 5 -2.095 -8.258 -4.463
36 HH11 ARG 5 HH11 ARG 5 -2.021 -8.259 -7.975
37 HH12 ARG 5 HH12 ARG 5 -0.571 -9.203 -8.058
38 HH21 ARG 5 HH21 ARG 5 0.458 -9.901 -6.146
39 HH22 ARG 5 HH22 ARG 5 -0.198 -9.492 -4.597
40 H GLN 6 HN GLN 6 -4.964 -4.549 -2.308
41 HA GLN 6 HA GLN 6 -6.466 -6.481 -0.869
42 HB2 GLN 6 HB2 GLN 6 -4.263 -4.966 -0.332
43 HB3 GLN 6 HB1 GLN 6 -5.478 -4.149 0.640
44 HG2 GLN 6 HG2 GLN 6 -4.938 -7.116 0.788
45 HG3 GLN 6 HG1 GLN 6 -4.169 -5.928 1.832
46 HE21 GLN 6 HE21 GLN 6 -5.961 -8.204 2.402
47 HE22 GLN 6 HE22 GLN 6 -7.269 -7.546 3.319
48 H ALA 7 HN ALA 7 -7.125 -3.343 -1.984
49 HA ALA 7 HA ALA 7 -9.576 -3.122 -0.380
50 HB1 ALA 7 HB1 ALA 7 -7.923 -1.426 0.219
51 HB2 ALA 7 HB2 ALA 7 -9.338 -0.700 -0.545
52 HB3 ALA 7 HB3 ALA 7 -7.849 -0.910 -1.466
53 H GLY 8 HN GLY 8 -8.029 -2.649 -3.480
54 HA2 GLY 8 HA2 GLY 8 -9.740 -3.483 -5.282
55 HA3 GLY 8 HA1 GLY 8 -10.572 -2.014 -4.791
56 H GLY 9 HN GLY 9 -9.109 -0.018 -4.801
57 HA2 GLY 9 HA2 GLY 9 -6.836 0.176 -6.429
58 HA3 GLY 9 HA1 GLY 9 -8.245 0.472 -7.436
59 H ALA 10 HN ALA 10 -6.741 1.518 -4.368
60 HA ALA 10 HA ALA 10 -7.443 4.289 -5.033
61 HB1 ALA 10 HB1 ALA 10 -8.006 3.041 -2.340
62 HB2 ALA 10 HB2 ALA 10 -9.216 3.460 -3.552
63 HB3 ALA 10 HB3 ALA 10 -8.266 4.730 -2.779
64 H ARG 11 HN ARG 11 -6.472 5.703 -3.014
65 HA ARG 11 HA ARG 11 -3.780 4.765 -2.338
66 HB2 ARG 11 HB2 ARG 11 -2.870 7.069 -2.986
67 HB3 ARG 11 HB1 ARG 11 -3.287 6.010 -4.321
68 HG2 ARG 11 HG2 ARG 11 -5.481 7.240 -4.472
69 HG3 ARG 11 HG1 ARG 11 -4.824 8.394 -3.312
70 HD2 ARG 11 HD2 ARG 11 -3.397 7.715 -5.869
71 HD3 ARG 11 HD1 ARG 11 -4.631 8.970 -5.795
72 HE ARG 11 HE ARG 11 -2.599 9.300 -3.806
73 HH11 ARG 11 HH11 ARG 11 -3.359 9.934 -7.175
74 HH12 ARG 11 HH12 ARG 11 -2.265 11.274 -7.289
75 HH21 ARG 11 HH21 ARG 11 -1.179 11.060 -3.977
76 HH22 ARG 11 HH22 ARG 11 -1.033 11.909 -5.480
77 H CYS 12 HN CYS 12 -2.733 6.093 -0.623
78 HA CYS 12 HA CYS 12 -4.731 6.824 1.354
79 HB2 CYS 12 HB2 CYS 12 -1.751 6.484 1.492
80 HB3 CYS 12 HB1 CYS 12 -2.660 7.163 2.835
81 H SER 13 HN SER 13 -1.888 8.621 1.879
82 HA SER 13 HA SER 13 -3.303 11.087 1.889
83 HB2 SER 13 HB2 SER 13 -1.482 10.511 3.508
84 HB3 SER 13 HB1 SER 13 -0.320 10.656 2.190
85 HG SER 13 HG SER 13 -0.326 12.716 2.539
86 H ASN 14 HN ASN 14 -0.332 10.297 0.149
87 HA ASN 14 HA ASN 14 -1.318 11.653 -2.255
88 HB2 ASN 14 HB2 ASN 14 0.188 13.126 -0.642
89 HB3 ASN 14 HB1 ASN 14 1.499 12.207 -1.374
90 HD21 ASN 14 HD21 ASN 14 -1.010 14.548 -1.903
91 HD22 ASN 14 HD22 ASN 14 -0.457 15.095 -3.445
92 H GLY 15 HN GLY 15 1.037 11.471 -3.770
93 HA2 GLY 15 HA2 GLY 15 1.055 8.670 -4.408
94 HA3 GLY 15 HA1 GLY 15 1.981 9.931 -5.213
95 H LEU 16 HN LEU 16 1.816 8.339 -2.058
96 HA LEU 16 HA LEU 16 4.660 8.653 -1.621
97 HB2 LEU 16 HB2 LEU 16 3.845 7.264 0.548
98 HB3 LEU 16 HB1 LEU 16 3.749 9.006 0.416
99 HG LEU 16 HG LEU 16 1.344 8.686 -0.365
100 HD11 LEU 16 HD11 LEU 16 1.705 5.934 0.787
101 HD12 LEU 16 HD12 LEU 16 1.512 6.297 -0.929
102 HD13 LEU 16 HD13 LEU 16 0.206 6.655 0.200
103 HD21 LEU 16 HD21 LEU 16 0.494 8.522 1.868
104 HD22 LEU 16 HD22 LEU 16 1.998 9.443 1.885
105 HD23 LEU 16 HD23 LEU 16 1.985 7.762 2.419
106 H CYS 17 HN CYS 17 3.224 5.824 -0.324
107 HA CYS 17 HA CYS 17 4.541 4.049 -2.251
108 HB2 CYS 17 HB2 CYS 17 4.890 3.250 0.559
109 HB3 CYS 17 HB1 CYS 17 6.052 3.213 -0.760
110 H CYS 18 HN CYS 18 3.712 1.874 -2.198
111 HA CYS 18 HA CYS 18 1.340 1.432 -0.558
112 HB2 CYS 18 HB2 CYS 18 0.502 2.407 -2.629
113 HB3 CYS 18 HB1 CYS 18 1.347 1.185 -3.568
114 H SER 19 HN SER 19 1.365 -0.435 0.369
115 HA SER 19 HA SER 19 3.431 -2.312 0.069
116 HB2 SER 19 HB2 SER 19 0.790 -2.478 1.518
117 HB3 SER 19 HB1 SER 19 2.055 -3.696 1.645
118 HG SER 19 HG SER 19 3.388 -2.210 2.595
119 H GLN 20 HN GLN 20 3.381 -4.502 -0.432
120 HA GLN 20 HA GLN 20 2.666 -5.257 -2.919
121 HB2 GLN 20 HB2 GLN 20 3.099 -6.926 -0.471
122 HB3 GLN 20 HB1 GLN 20 2.833 -7.652 -2.050
123 HG2 GLN 20 HG2 GLN 20 4.801 -6.502 -2.919
124 HG3 GLN 20 HG1 GLN 20 5.059 -5.750 -1.346
125 HE21 GLN 20 HE21 GLN 20 5.804 -7.002 0.367
126 HE22 GLN 20 HE22 GLN 20 6.520 -8.555 0.127
127 H PHE 21 HN PHE 21 0.643 -5.693 -0.094
128 HA PHE 21 HA PHE 21 -1.387 -7.133 -1.567
129 HB2 PHE 21 HB2 PHE 21 -1.352 -6.053 1.252
130 HB3 PHE 21 HB1 PHE 21 -2.691 -6.956 0.560
131 HD1 PHE 21 HD1 PHE 21 -2.554 -9.304 0.186
132 HD2 PHE 21 HD2 PHE 21 0.732 -7.131 1.782
133 HE1 PHE 21 HE1 PHE 21 -1.490 -11.428 0.866
134 HE2 PHE 21 HE2 PHE 21 1.808 -9.245 2.469
135 HZ PHE 21 HZ PHE 21 0.694 -11.396 2.008
136 H GLY 22 HN GLY 22 -0.935 -3.960 -0.190
137 HA2 GLY 22 HA2 GLY 22 -1.937 -2.239 -1.830
138 HA3 GLY 22 HA1 GLY 22 -3.442 -3.029 -1.386
139 H TYR 23 HN TYR 23 -0.599 -2.038 0.505
140 HA TYR 23 HA TYR 23 -2.397 -0.380 2.146
141 HB2 TYR 23 HB2 TYR 23 -1.025 -2.542 3.079
142 HB3 TYR 23 HB1 TYR 23 0.138 -1.259 3.393
143 HD1 TYR 23 HD1 TYR 23 -1.836 -3.124 5.171
144 HD2 TYR 23 HD2 TYR 23 -1.654 1.000 4.134
145 HE1 TYR 23 HE1 TYR 23 -3.087 -2.561 7.211
146 HE2 TYR 23 HE2 TYR 23 -2.907 1.573 6.173
147 HH TYR 23 HH TYR 23 -4.457 0.496 7.747
148 H CYS 24 HN CYS 24 -2.124 1.600 1.465
149 HA CYS 24 HA CYS 24 0.410 2.609 0.543
150 HB2 CYS 24 HB2 CYS 24 -1.028 4.780 0.390
151 HB3 CYS 24 HB1 CYS 24 -1.353 3.456 -0.718
152 H GLY 25 HN GLY 25 1.752 4.000 1.471
153 HA2 GLY 25 HA2 GLY 25 1.149 5.515 3.813
154 HA3 GLY 25 HA1 GLY 25 2.115 4.097 4.192
155 H SER 26 HN SER 26 3.339 6.211 4.882
156 HA SER 26 HA SER 26 5.496 6.584 2.937
157 HB2 SER 26 HB2 SER 26 5.495 9.083 3.398
158 HB3 SER 26 HB1 SER 26 4.131 8.519 2.442
159 HG SER 26 HG SER 26 4.200 9.475 5.057
160 H THR 27 HN THR 27 4.445 5.978 6.021
161 HA THR 27 HA THR 27 7.066 6.428 7.175
162 HB THR 27 HB THR 27 6.274 8.500 7.831
163 HG1 THR 27 HG1 THR 27 5.286 7.068 10.051
164 HG21 THR 27 HG21 THR 27 3.904 8.068 7.063
165 HG22 THR 27 HG22 THR 27 4.064 9.088 8.490
166 HG23 THR 27 HG23 THR 27 3.590 7.400 8.665
167 HA PRO 28 HA PRO 28 4.642 3.394 10.028
168 HB2 PRO 28 HB2 PRO 28 2.292 2.388 8.667
169 HB3 PRO 28 HB1 PRO 28 2.358 3.383 10.131
170 HG2 PRO 28 HG2 PRO 28 1.308 4.271 7.804
171 HG3 PRO 28 HG1 PRO 28 2.093 5.338 8.988
172 HD2 PRO 28 HD2 PRO 28 3.290 4.101 6.506
173 HD3 PRO 28 HD1 PRO 28 3.336 5.800 7.039
174 HA PRO 29 HA PRO 29 6.053 -0.579 8.355
175 HB2 PRO 29 HB2 PRO 29 4.109 -2.455 8.962
176 HB3 PRO 29 HB1 PRO 29 5.323 -1.862 10.110
177 HG2 PRO 29 HG2 PRO 29 2.492 -0.994 9.751
178 HG3 PRO 29 HG1 PRO 29 3.392 -1.321 11.248
179 HD2 PRO 29 HD2 PRO 29 3.014 1.170 10.451
180 HD3 PRO 29 HD1 PRO 29 4.577 0.673 11.128
181 H TYR 30 HN TYR 30 4.831 1.005 6.477
182 HA TYR 30 HA TYR 30 3.933 -0.945 4.482
183 HB2 TYR 30 HB2 TYR 30 2.689 1.790 4.440
184 HB3 TYR 30 HB1 TYR 30 2.092 0.295 3.744
185 HD1 TYR 30 HD1 TYR 30 1.559 -1.565 5.669
186 HD2 TYR 30 HD2 TYR 30 1.473 2.657 6.186
187 HE1 TYR 30 HE1 TYR 30 0.055 -1.841 7.595
188 HE2 TYR 30 HE2 TYR 30 -0.029 2.389 8.118
189 HH TYR 30 HH TYR 30 -0.588 -0.599 9.617
190 H CYS 31 HN CYS 31 5.477 1.982 5.455
191 HA CYS 31 HA CYS 31 7.144 1.975 3.111
192 HB2 CYS 31 HB2 CYS 31 5.225 3.581 2.624
193 HB3 CYS 31 HB1 CYS 31 5.903 4.596 3.893
194 H GLY 32 HN GLY 32 8.684 1.276 4.499
195 HA2 GLY 32 HA2 GLY 32 10.562 2.962 5.481
196 HA3 GLY 32 HA1 GLY 32 9.459 2.765 6.842
197 H ALA 33 HN ALA 33 8.736 0.351 7.027
198 HA ALA 33 HA ALA 33 10.620 -1.686 6.382
199 HB1 ALA 33 HB1 ALA 33 10.486 -0.854 9.296
200 HB2 ALA 33 HB2 ALA 33 11.875 -0.634 8.232
201 HB3 ALA 33 HB3 ALA 33 11.339 -2.260 8.658
202 H GLY 34 HN GLY 34 8.900 -2.761 5.592
203 HA2 GLY 34 HA2 GLY 34 7.370 -4.345 7.383
204 HA3 GLY 34 HA1 GLY 34 6.379 -3.067 6.691
205 H GLN 35 HN GLN 35 5.997 -3.023 4.469
206 HA GLN 35 HA GLN 35 6.878 -5.238 2.816
207 HB2 GLN 35 HB2 GLN 35 4.363 -5.581 2.134
208 HB3 GLN 35 HB1 GLN 35 5.014 -6.412 3.536
209 HG2 GLN 35 HG2 GLN 35 4.053 -4.607 4.966
210 HG3 GLN 35 HG1 GLN 35 3.283 -3.945 3.526
211 HE21 GLN 35 HE21 GLN 35 1.585 -5.081 2.563
212 HE22 GLN 35 HE22 GLN 35 0.736 -6.334 3.393
213 H CYS 36 HN CYS 36 7.837 -2.958 2.289
214 HA CYS 36 HA CYS 36 6.181 -1.234 0.680
215 HB2 CYS 36 HB2 CYS 36 8.390 -0.109 0.176
216 HB3 CYS 36 HB1 CYS 36 7.936 -0.180 1.875
217 H GLN 37 HN GLN 37 5.669 -1.479 -1.383
218 HA GLN 37 HA GLN 37 7.278 -3.239 -3.087
219 HB2 GLN 37 HB2 GLN 37 4.733 -3.525 -2.721
220 HB3 GLN 37 HB1 GLN 37 4.566 -2.129 -3.777
221 HG2 GLN 37 HG2 GLN 37 5.888 -3.390 -5.490
222 HG3 GLN 37 HG1 GLN 37 5.758 -4.803 -4.446
223 HE21 GLN 37 HE21 GLN 37 3.792 -5.842 -4.238
224 HE22 GLN 37 HE22 GLN 37 2.455 -5.528 -5.286
225 H SER 38 HN SER 38 5.653 -0.064 -3.132
226 HA SER 38 HA SER 38 6.968 0.733 -5.572
227 HB2 SER 38 HB2 SER 38 5.089 2.215 -3.731
228 HB3 SER 38 HB1 SER 38 5.719 2.877 -5.239
229 HG SER 38 HG SER 38 3.905 0.774 -4.833
230 H GLN 39 HN GLN 39 6.932 1.963 -2.258
231 HA GLN 39 HA GLN 39 9.715 2.815 -2.543
232 HB2 GLN 39 HB2 GLN 39 7.404 4.619 -1.878
233 HB3 GLN 39 HB1 GLN 39 9.016 4.972 -1.269
234 HG2 GLN 39 HG2 GLN 39 9.859 5.017 -3.571
235 HG3 GLN 39 HG1 GLN 39 8.230 4.697 -4.162
236 HE21 GLN 39 HE21 GLN 39 10.343 7.028 -2.689
237 HE22 GLN 39 HE22 GLN 39 9.332 8.406 -2.939
238 H CYS 40 HN CYS 40 10.912 2.694 -0.711
239 HA CYS 40 HA CYS 40 9.574 1.581 1.659
240 HB2 CYS 40 HB2 CYS 40 12.474 1.363 0.819
241 HB3 CYS 40 HB1 CYS 40 11.761 0.616 2.244
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 -7.799 -1.917 1.605
2 H2 PHE 1 HT2 PHE 1 -6.677 -2.916 2.381
3 H3 PHE 1 HT3 PHE 1 -6.142 -1.608 1.451
4 HA PHE 1 HA PHE 1 -7.726 -1.416 3.936
5 HB2 PHE 1 HB2 PHE 1 -4.802 -0.863 3.404
6 HB3 PHE 1 HB1 PHE 1 -5.638 -0.422 4.888
7 HD1 PHE 1 HD1 PHE 1 -4.193 -3.149 2.937
8 HD2 PHE 1 HD2 PHE 1 -6.320 -2.123 6.478
9 HE1 PHE 1 HE1 PHE 1 -3.674 -5.360 3.890
10 HE2 PHE 1 HE2 PHE 1 -5.810 -4.332 7.432
11 HZ PHE 1 HZ PHE 1 -4.484 -5.953 6.137
12 H GLN 2 HN GLN 2 -5.633 0.397 1.754
13 HA GLN 2 HA GLN 2 -7.575 2.567 1.566
14 HB2 GLN 2 HB2 GLN 2 -4.762 2.910 2.609
15 HB3 GLN 2 HB1 GLN 2 -5.669 4.243 1.912
16 HG2 GLN 2 HG2 GLN 2 -6.773 2.636 4.187
17 HG3 GLN 2 HG1 GLN 2 -5.654 3.969 4.460
18 HE21 GLN 2 HE21 GLN 2 -8.837 3.061 3.405
19 HE22 GLN 2 HE22 GLN 2 -9.526 4.646 3.444
20 H CYS 3 HN CYS 3 -5.098 0.648 0.283
21 HA CYS 3 HA CYS 3 -4.542 2.345 -2.013
22 HB2 CYS 3 HB2 CYS 3 -2.760 1.052 -0.835
23 HB3 CYS 3 HB1 CYS 3 -3.535 -0.430 -1.371
24 H GLY 4 HN GLY 4 -4.405 0.948 -4.182
25 HA2 GLY 4 HA2 GLY 4 -7.147 0.076 -4.651
26 HA3 GLY 4 HA1 GLY 4 -5.962 0.485 -5.876
27 H ARG 5 HN ARG 5 -4.836 -1.713 -3.456
28 HA ARG 5 HA ARG 5 -5.223 -3.874 -5.378
29 HB2 ARG 5 HB2 ARG 5 -2.857 -3.093 -4.923
30 HB3 ARG 5 HB1 ARG 5 -3.034 -3.815 -3.325
31 HG2 ARG 5 HG2 ARG 5 -3.323 -5.966 -4.226
32 HG3 ARG 5 HG1 ARG 5 -3.512 -5.329 -5.860
33 HD2 ARG 5 HD2 ARG 5 -0.994 -4.951 -4.276
34 HD3 ARG 5 HD1 ARG 5 -1.268 -6.383 -5.268
35 HE ARG 5 HE ARG 5 -1.649 -3.910 -6.683
36 HH11 ARG 5 HH11 ARG 5 0.753 -6.287 -5.728
37 HH12 ARG 5 HH12 ARG 5 1.840 -5.874 -7.012
38 HH21 ARG 5 HH21 ARG 5 1.293 -4.233 -8.498
39 HH22 ARG 5 HH22 ARG 5 -0.211 -3.386 -8.356
40 H GLN 6 HN GLN 6 -5.156 -3.195 -1.909
41 HA GLN 6 HA GLN 6 -6.203 -5.802 -1.203
42 HB2 GLN 6 HB2 GLN 6 -4.767 -4.000 0.203
43 HB3 GLN 6 HB1 GLN 6 -6.377 -3.535 0.721
44 HG2 GLN 6 HG2 GLN 6 -5.500 -6.403 0.863
45 HG3 GLN 6 HG1 GLN 6 -5.047 -5.256 2.119
46 HE21 GLN 6 HE21 GLN 6 -6.663 -4.342 3.417
47 HE22 GLN 6 HE22 GLN 6 -8.222 -5.070 3.565
48 H ALA 7 HN ALA 7 -7.393 -3.073 -2.556
49 HA ALA 7 HA ALA 7 -10.134 -3.408 -1.563
50 HB1 ALA 7 HB1 ALA 7 -8.817 -1.002 -2.800
51 HB2 ALA 7 HB2 ALA 7 -9.143 -1.228 -1.082
52 HB3 ALA 7 HB3 ALA 7 -10.480 -1.083 -2.222
53 H GLY 8 HN GLY 8 -8.093 -2.986 -4.379
54 HA2 GLY 8 HA2 GLY 8 -8.608 -4.286 -6.385
55 HA3 GLY 8 HA1 GLY 8 -10.303 -3.920 -6.102
56 H GLY 9 HN GLY 9 -9.451 -1.095 -5.350
57 HA2 GLY 9 HA2 GLY 9 -8.252 0.185 -7.532
58 HA3 GLY 9 HA1 GLY 9 -9.983 0.132 -7.831
59 H ALA 10 HN ALA 10 -7.450 1.395 -5.800
60 HA ALA 10 HA ALA 10 -9.106 3.664 -5.021
61 HB1 ALA 10 HB1 ALA 10 -9.450 2.047 -3.202
62 HB2 ALA 10 HB2 ALA 10 -8.551 3.456 -2.642
63 HB3 ALA 10 HB3 ALA 10 -7.705 1.943 -2.962
64 H ARG 11 HN ARG 11 -7.428 5.000 -3.336
65 HA ARG 11 HA ARG 11 -4.765 5.022 -4.561
66 HB2 ARG 11 HB2 ARG 11 -6.653 7.378 -4.448
67 HB3 ARG 11 HB1 ARG 11 -4.916 7.577 -4.628
68 HG2 ARG 11 HG2 ARG 11 -4.978 6.287 -6.703
69 HG3 ARG 11 HG1 ARG 11 -6.720 6.076 -6.521
70 HD2 ARG 11 HD2 ARG 11 -5.413 8.783 -6.655
71 HD3 ARG 11 HD1 ARG 11 -5.954 7.916 -8.092
72 HE ARG 11 HE ARG 11 -8.067 8.050 -6.239
73 HH11 ARG 11 HH11 ARG 11 -6.282 10.167 -8.400
74 HH12 ARG 11 HH12 ARG 11 -7.607 11.263 -8.606
75 HH21 ARG 11 HH21 ARG 11 -9.789 9.497 -6.525
76 HH22 ARG 11 HH22 ARG 11 -9.590 10.883 -7.546
77 H CYS 12 HN CYS 12 -3.136 6.037 -3.339
78 HA CYS 12 HA CYS 12 -3.428 5.700 -0.536
79 HB2 CYS 12 HB2 CYS 12 -1.155 6.670 -2.259
80 HB3 CYS 12 HB1 CYS 12 -1.020 6.448 -0.520
81 H SER 13 HN SER 13 -1.968 7.504 0.790
82 HA SER 13 HA SER 13 -3.751 9.708 1.116
83 HB2 SER 13 HB2 SER 13 -2.300 8.468 2.925
84 HB3 SER 13 HB1 SER 13 -1.047 9.610 2.436
85 HG SER 13 HG SER 13 -3.139 10.020 4.043
86 H ASN 14 HN ASN 14 -0.371 9.488 0.160
87 HA ASN 14 HA ASN 14 -0.622 11.922 -1.450
88 HB2 ASN 14 HB2 ASN 14 1.467 11.453 0.693
89 HB3 ASN 14 HB1 ASN 14 1.657 12.654 -0.580
90 HD21 ASN 14 HD21 ASN 14 -0.076 11.766 2.294
91 HD22 ASN 14 HD22 ASN 14 -0.800 13.308 2.580
92 H GLY 15 HN GLY 15 2.017 12.117 -2.315
93 HA2 GLY 15 HA2 GLY 15 2.156 9.918 -4.167
94 HA3 GLY 15 HA1 GLY 15 3.253 11.291 -4.088
95 H LEU 16 HN LEU 16 2.350 8.579 -1.997
96 HA LEU 16 HA LEU 16 5.171 8.170 -1.308
97 HB2 LEU 16 HB2 LEU 16 4.046 6.722 0.571
98 HB3 LEU 16 HB1 LEU 16 4.089 8.462 0.703
99 HG LEU 16 HG LEU 16 1.692 8.278 -0.403
100 HD11 LEU 16 HD11 LEU 16 2.216 5.545 0.602
101 HD12 LEU 16 HD12 LEU 16 1.269 6.084 -0.784
102 HD13 LEU 16 HD13 LEU 16 0.626 6.251 0.849
103 HD21 LEU 16 HD21 LEU 16 0.718 8.431 1.753
104 HD22 LEU 16 HD22 LEU 16 2.287 9.228 1.814
105 HD23 LEU 16 HD23 LEU 16 2.087 7.611 2.492
106 H CYS 17 HN CYS 17 3.591 5.414 -0.397
107 HA CYS 17 HA CYS 17 3.934 4.022 -2.952
108 HB2 CYS 17 HB2 CYS 17 5.019 2.216 -1.163
109 HB3 CYS 17 HB1 CYS 17 5.933 3.213 -2.280
110 H CYS 18 HN CYS 18 3.443 1.517 -2.437
111 HA CYS 18 HA CYS 18 1.099 1.290 -0.692
112 HB2 CYS 18 HB2 CYS 18 0.156 1.853 -2.831
113 HB3 CYS 18 HB1 CYS 18 1.188 0.695 -3.656
114 H SER 19 HN SER 19 1.158 -0.507 0.470
115 HA SER 19 HA SER 19 3.299 -2.349 0.340
116 HB2 SER 19 HB2 SER 19 2.041 -1.713 2.412
117 HB3 SER 19 HB1 SER 19 0.697 -2.698 1.837
118 HG SER 19 HG SER 19 3.313 -3.726 2.160
119 H GLN 20 HN GLN 20 3.173 -4.655 0.175
120 HA GLN 20 HA GLN 20 2.531 -5.668 -2.223
121 HB2 GLN 20 HB2 GLN 20 2.737 -7.063 0.415
122 HB3 GLN 20 HB1 GLN 20 2.507 -7.953 -1.082
123 HG2 GLN 20 HG2 GLN 20 4.576 -7.002 -1.966
124 HG3 GLN 20 HG1 GLN 20 4.806 -6.109 -0.464
125 HE21 GLN 20 HE21 GLN 20 5.389 -7.218 1.403
126 HE22 GLN 20 HE22 GLN 20 6.020 -8.826 1.358
127 H PHE 21 HN PHE 21 0.359 -5.828 0.537
128 HA PHE 21 HA PHE 21 -1.683 -7.221 -0.978
129 HB2 PHE 21 HB2 PHE 21 -1.611 -6.132 1.833
130 HB3 PHE 21 HB1 PHE 21 -3.044 -6.879 1.136
131 HD1 PHE 21 HD1 PHE 21 -3.130 -9.243 0.707
132 HD2 PHE 21 HD2 PHE 21 0.329 -7.432 2.392
133 HE1 PHE 21 HE1 PHE 21 -2.297 -11.468 1.372
134 HE2 PHE 21 HE2 PHE 21 1.174 -9.650 3.062
135 HZ PHE 21 HZ PHE 21 -0.141 -11.671 2.551
136 H GLY 22 HN GLY 22 -0.939 -4.019 0.049
137 HA2 GLY 22 HA2 GLY 22 -1.855 -2.271 -1.488
138 HA3 GLY 22 HA1 GLY 22 -3.423 -2.992 -1.163
139 H TYR 23 HN TYR 23 -0.638 -2.066 0.844
140 HA TYR 23 HA TYR 23 -2.471 -0.457 2.495
141 HB2 TYR 23 HB2 TYR 23 -1.223 -2.635 3.437
142 HB3 TYR 23 HB1 TYR 23 0.071 -1.470 3.683
143 HD1 TYR 23 HD1 TYR 23 -1.362 0.948 4.540
144 HD2 TYR 23 HD2 TYR 23 -2.073 -3.133 5.523
145 HE1 TYR 23 HE1 TYR 23 -2.427 1.647 6.645
146 HE2 TYR 23 HE2 TYR 23 -3.142 -2.443 7.628
147 HH TYR 23 HH TYR 23 -4.046 0.763 8.272
148 H CYS 24 HN CYS 24 -2.158 1.585 2.161
149 HA CYS 24 HA CYS 24 0.248 2.652 1.020
150 HB2 CYS 24 HB2 CYS 24 -2.264 3.969 2.030
151 HB3 CYS 24 HB1 CYS 24 -0.978 4.796 1.161
152 H GLY 25 HN GLY 25 1.561 4.292 1.883
153 HA2 GLY 25 HA2 GLY 25 1.368 5.358 4.466
154 HA3 GLY 25 HA1 GLY 25 2.359 3.913 4.558
155 H SER 26 HN SER 26 3.561 6.026 5.347
156 HA SER 26 HA SER 26 5.706 6.478 3.447
157 HB2 SER 26 HB2 SER 26 4.083 8.298 2.880
158 HB3 SER 26 HB1 SER 26 4.192 8.875 4.537
159 HG SER 26 HG SER 26 6.074 8.990 2.471
160 H THR 27 HN THR 27 4.715 5.650 6.331
161 HA THR 27 HA THR 27 7.081 6.540 7.745
162 HB THR 27 HB THR 27 6.023 8.244 8.776
163 HG1 THR 27 HG1 THR 27 4.290 6.515 10.149
164 HG21 THR 27 HG21 THR 27 3.870 8.904 8.373
165 HG22 THR 27 HG22 THR 27 3.209 7.293 8.628
166 HG23 THR 27 HG23 THR 27 3.996 7.688 7.101
167 HA PRO 28 HA PRO 28 5.125 2.840 10.125
168 HB2 PRO 28 HB2 PRO 28 2.777 1.815 8.810
169 HB3 PRO 28 HB1 PRO 28 2.853 2.716 10.332
170 HG2 PRO 28 HG2 PRO 28 1.646 3.676 8.090
171 HG3 PRO 28 HG1 PRO 28 2.364 4.707 9.343
172 HD2 PRO 28 HD2 PRO 28 3.610 3.788 6.749
173 HD3 PRO 28 HD1 PRO 28 3.528 5.433 7.423
174 HA PRO 29 HA PRO 29 6.647 -0.830 7.927
175 HB2 PRO 29 HB2 PRO 29 4.343 -2.523 8.751
176 HB3 PRO 29 HB1 PRO 29 6.075 -2.743 9.068
177 HG2 PRO 29 HG2 PRO 29 4.473 -2.005 11.012
178 HG3 PRO 29 HG1 PRO 29 6.078 -1.260 10.840
179 HD2 PRO 29 HD2 PRO 29 3.409 -0.177 10.019
180 HD3 PRO 29 HD1 PRO 29 4.731 0.634 10.884
181 H TYR 30 HN TYR 30 5.266 0.798 6.266
182 HA TYR 30 HA TYR 30 4.263 -1.036 4.211
183 HB2 TYR 30 HB2 TYR 30 2.969 1.665 4.515
184 HB3 TYR 30 HB1 TYR 30 2.375 0.253 3.659
185 HD1 TYR 30 HD1 TYR 30 1.824 2.265 6.408
186 HD2 TYR 30 HD2 TYR 30 1.983 -1.848 5.343
187 HE1 TYR 30 HE1 TYR 30 0.417 1.708 8.352
188 HE2 TYR 30 HE2 TYR 30 0.580 -2.418 7.282
189 HH TYR 30 HH TYR 30 -1.102 -0.082 9.075
190 H CYS 31 HN CYS 31 5.684 1.947 5.259
191 HA CYS 31 HA CYS 31 7.276 2.150 2.877
192 HB2 CYS 31 HB2 CYS 31 5.371 4.329 3.688
193 HB3 CYS 31 HB1 CYS 31 6.748 4.604 2.620
194 H GLY 32 HN GLY 32 8.929 1.640 4.200
195 HA2 GLY 32 HA2 GLY 32 10.649 3.474 5.149
196 HA3 GLY 32 HA1 GLY 32 9.587 3.222 6.533
197 H ALA 33 HN ALA 33 9.053 0.741 6.734
198 HA ALA 33 HA ALA 33 11.039 -1.173 6.103
199 HB1 ALA 33 HB1 ALA 33 11.041 -0.237 8.988
200 HB2 ALA 33 HB2 ALA 33 12.341 0.025 7.827
201 HB3 ALA 33 HB3 ALA 33 11.938 -1.612 8.344
202 H GLY 34 HN GLY 34 9.397 -2.451 5.496
203 HA2 GLY 34 HA2 GLY 34 8.127 -4.082 7.396
204 HA3 GLY 34 HA1 GLY 34 6.985 -2.858 6.867
205 H GLN 35 HN GLN 35 6.169 -2.902 4.791
206 HA GLN 35 HA GLN 35 6.941 -5.171 3.092
207 HB2 GLN 35 HB2 GLN 35 4.057 -4.433 3.656
208 HB3 GLN 35 HB1 GLN 35 4.629 -5.777 2.682
209 HG2 GLN 35 HG2 GLN 35 5.689 -6.689 4.787
210 HG3 GLN 35 HG1 GLN 35 4.790 -5.452 5.665
211 HE21 GLN 35 HE21 GLN 35 4.573 -8.385 3.812
212 HE22 GLN 35 HE22 GLN 35 2.938 -8.764 4.224
213 H CYS 36 HN CYS 36 8.005 -2.930 2.389
214 HA CYS 36 HA CYS 36 6.347 -1.199 0.803
215 HB2 CYS 36 HB2 CYS 36 9.357 -1.471 0.851
216 HB3 CYS 36 HB1 CYS 36 8.454 -0.140 0.141
217 H GLN 37 HN GLN 37 5.521 -1.700 -1.151
218 HA GLN 37 HA GLN 37 6.932 -3.611 -2.861
219 HB2 GLN 37 HB2 GLN 37 4.440 -3.808 -2.281
220 HB3 GLN 37 HB1 GLN 37 4.196 -2.440 -3.357
221 HG2 GLN 37 HG2 GLN 37 5.286 -3.773 -5.166
222 HG3 GLN 37 HG1 GLN 37 5.276 -5.153 -4.071
223 HE21 GLN 37 HE21 GLN 37 3.383 -6.228 -3.681
224 HE22 GLN 37 HE22 GLN 37 1.919 -5.918 -4.544
225 H SER 38 HN SER 38 5.484 -0.355 -3.005
226 HA SER 38 HA SER 38 6.631 0.161 -5.612
227 HB2 SER 38 HB2 SER 38 4.863 1.798 -3.795
228 HB3 SER 38 HB1 SER 38 5.486 2.408 -5.328
229 HG SER 38 HG SER 38 4.146 -0.061 -5.251
230 H GLN 39 HN GLN 39 6.829 1.656 -2.424
231 HA GLN 39 HA GLN 39 9.627 2.347 -2.847
232 HB2 GLN 39 HB2 GLN 39 7.480 4.282 -3.036
233 HB3 GLN 39 HB1 GLN 39 8.526 4.671 -1.681
234 HG2 GLN 39 HG2 GLN 39 10.461 4.555 -3.246
235 HG3 GLN 39 HG1 GLN 39 9.309 4.354 -4.566
236 HE21 GLN 39 HE21 GLN 39 8.006 6.081 -5.169
237 HE22 GLN 39 HE22 GLN 39 8.351 7.704 -4.687
238 H CYS 40 HN CYS 40 10.666 3.140 -0.823
239 HA CYS 40 HA CYS 40 9.226 2.403 1.625
240 HB2 CYS 40 HB2 CYS 40 11.014 0.665 0.533
241 HB3 CYS 40 HB1 CYS 40 12.069 1.605 1.584
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 -6.876 -0.664 5.609
2 H2 PHE 1 HT2 PHE 1 -6.179 -2.202 5.701
3 H3 PHE 1 HT3 PHE 1 -7.753 -2.023 5.111
4 HA PHE 1 HA PHE 1 -5.300 -0.968 3.830
5 HB2 PHE 1 HB2 PHE 1 -7.083 -3.306 3.116
6 HB3 PHE 1 HB1 PHE 1 -5.849 -2.642 2.053
7 HD1 PHE 1 HD1 PHE 1 -6.412 -4.395 5.252
8 HD2 PHE 1 HD2 PHE 1 -3.571 -3.207 2.312
9 HE1 PHE 1 HE1 PHE 1 -4.739 -5.882 6.273
10 HE2 PHE 1 HE2 PHE 1 -1.894 -4.691 3.332
11 HZ PHE 1 HZ PHE 1 -2.477 -6.032 5.313
12 H GLN 2 HN GLN 2 -5.602 0.158 1.916
13 HA GLN 2 HA GLN 2 -8.331 0.794 1.064
14 HB2 GLN 2 HB2 GLN 2 -6.284 2.888 1.822
15 HB3 GLN 2 HB1 GLN 2 -7.790 3.228 0.988
16 HG2 GLN 2 HG2 GLN 2 -7.757 1.889 3.668
17 HG3 GLN 2 HG1 GLN 2 -7.669 3.642 3.509
18 HE21 GLN 2 HE21 GLN 2 -9.649 0.816 3.098
19 HE22 GLN 2 HE22 GLN 2 -11.151 1.644 2.897
20 H CYS 3 HN CYS 3 -4.922 0.790 0.491
21 HA CYS 3 HA CYS 3 -5.160 1.665 -2.281
22 HB2 CYS 3 HB2 CYS 3 -3.407 2.677 -1.018
23 HB3 CYS 3 HB1 CYS 3 -2.835 1.125 -0.430
24 H GLY 4 HN GLY 4 -3.693 0.484 -3.870
25 HA2 GLY 4 HA2 GLY 4 -3.169 -1.329 -5.142
26 HA3 GLY 4 HA1 GLY 4 -2.914 -2.186 -3.641
27 H ARG 5 HN ARG 5 -3.607 -4.034 -4.775
28 HA ARG 5 HA ARG 5 -6.264 -4.280 -5.797
29 HB2 ARG 5 HB2 ARG 5 -5.695 -6.703 -6.009
30 HB3 ARG 5 HB1 ARG 5 -4.534 -5.633 -6.779
31 HG2 ARG 5 HG2 ARG 5 -3.285 -5.856 -4.482
32 HG3 ARG 5 HG1 ARG 5 -4.228 -7.348 -4.374
33 HD2 ARG 5 HD2 ARG 5 -3.400 -7.965 -6.620
34 HD3 ARG 5 HD1 ARG 5 -2.376 -6.531 -6.596
35 HE ARG 5 HE ARG 5 -1.846 -8.046 -4.297
36 HH11 ARG 5 HH11 ARG 5 -1.358 -8.278 -7.768
37 HH12 ARG 5 HH12 ARG 5 0.051 -9.273 -7.618
38 HH21 ARG 5 HH21 ARG 5 0.819 -9.880 -5.558
39 HH22 ARG 5 HH22 ARG 5 -0.000 -9.351 -4.126
40 H GLN 6 HN GLN 6 -5.019 -4.343 -2.644
41 HA GLN 6 HA GLN 6 -6.589 -6.324 -1.377
42 HB2 GLN 6 HB2 GLN 6 -4.689 -4.460 -0.581
43 HB3 GLN 6 HB1 GLN 6 -6.150 -3.932 0.236
44 HG2 GLN 6 HG2 GLN 6 -5.041 -6.734 0.387
45 HG3 GLN 6 HG1 GLN 6 -4.729 -5.476 1.582
46 HE21 GLN 6 HE21 GLN 6 -7.084 -7.654 0.244
47 HE22 GLN 6 HE22 GLN 6 -8.249 -7.505 1.512
48 H ALA 7 HN ALA 7 -7.277 -3.262 -2.684
49 HA ALA 7 HA ALA 7 -10.030 -3.269 -1.672
50 HB1 ALA 7 HB1 ALA 7 -8.720 -1.553 -0.537
51 HB2 ALA 7 HB2 ALA 7 -9.932 -0.829 -1.595
52 HB3 ALA 7 HB3 ALA 7 -8.243 -0.887 -2.099
53 H GLY 8 HN GLY 8 -7.783 -2.355 -4.196
54 HA2 GLY 8 HA2 GLY 8 -8.943 -3.127 -6.449
55 HA3 GLY 8 HA1 GLY 8 -9.909 -1.705 -6.085
56 H GLY 9 HN GLY 9 -8.464 0.263 -5.472
57 HA2 GLY 9 HA2 GLY 9 -5.876 0.567 -6.511
58 HA3 GLY 9 HA1 GLY 9 -7.017 1.023 -7.766
59 H ALA 10 HN ALA 10 -5.817 1.795 -4.544
60 HA ALA 10 HA ALA 10 -6.651 4.578 -4.925
61 HB1 ALA 10 HB1 ALA 10 -7.576 4.747 -2.674
62 HB2 ALA 10 HB2 ALA 10 -7.263 3.033 -2.402
63 HB3 ALA 10 HB3 ALA 10 -8.444 3.532 -3.613
64 H ARG 11 HN ARG 11 -5.760 5.931 -2.950
65 HA ARG 11 HA ARG 11 -3.148 4.962 -2.044
66 HB2 ARG 11 HB2 ARG 11 -2.108 7.193 -2.650
67 HB3 ARG 11 HB1 ARG 11 -2.517 6.186 -4.026
68 HG2 ARG 11 HG2 ARG 11 -4.552 7.534 -4.381
69 HG3 ARG 11 HG1 ARG 11 -4.083 8.563 -3.028
70 HD2 ARG 11 HD2 ARG 11 -3.374 9.698 -4.971
71 HD3 ARG 11 HD1 ARG 11 -1.919 8.985 -4.275
72 HE ARG 11 HE ARG 11 -2.948 7.180 -6.138
73 HH11 ARG 11 HH11 ARG 11 -1.507 10.383 -6.150
74 HH12 ARG 11 HH12 ARG 11 -0.859 10.210 -7.746
75 HH21 ARG 11 HH21 ARG 11 -2.089 6.977 -8.226
76 HH22 ARG 11 HH22 ARG 11 -1.188 8.284 -8.919
77 H CYS 12 HN CYS 12 -2.240 6.252 -0.249
78 HA CYS 12 HA CYS 12 -4.371 7.053 1.546
79 HB2 CYS 12 HB2 CYS 12 -1.423 6.645 1.917
80 HB3 CYS 12 HB1 CYS 12 -2.397 7.397 3.173
81 H SER 13 HN SER 13 -1.515 8.802 2.212
82 HA SER 13 HA SER 13 -2.843 11.288 2.246
83 HB2 SER 13 HB2 SER 13 -0.954 10.693 3.758
84 HB3 SER 13 HB1 SER 13 0.141 10.770 2.379
85 HG SER 13 HG SER 13 -1.431 12.908 3.393
86 H ASN 14 HN ASN 14 -0.001 10.452 0.328
87 HA ASN 14 HA ASN 14 -1.100 11.824 -2.016
88 HB2 ASN 14 HB2 ASN 14 0.525 13.275 -0.503
89 HB3 ASN 14 HB1 ASN 14 1.773 12.322 -1.296
90 HD21 ASN 14 HD21 ASN 14 -0.710 14.713 -1.710
91 HD22 ASN 14 HD22 ASN 14 -0.228 15.237 -3.284
92 H GLY 15 HN GLY 15 1.244 11.580 -3.611
93 HA2 GLY 15 HA2 GLY 15 1.121 8.782 -4.256
94 HA3 GLY 15 HA1 GLY 15 2.081 10.004 -5.083
95 H LEU 16 HN LEU 16 1.922 8.464 -1.898
96 HA LEU 16 HA LEU 16 4.771 8.678 -1.499
97 HB2 LEU 16 HB2 LEU 16 3.948 7.268 0.654
98 HB3 LEU 16 HB1 LEU 16 3.869 9.012 0.552
99 HG LEU 16 HG LEU 16 1.465 8.756 -0.200
100 HD11 LEU 16 HD11 LEU 16 0.283 6.744 0.162
101 HD12 LEU 16 HD12 LEU 16 1.703 5.959 0.850
102 HD13 LEU 16 HD13 LEU 16 1.663 6.362 -0.867
103 HD21 LEU 16 HD21 LEU 16 2.063 7.652 2.525
104 HD22 LEU 16 HD22 LEU 16 0.616 8.518 2.014
105 HD23 LEU 16 HD23 LEU 16 2.163 9.360 2.097
106 H CYS 17 HN CYS 17 3.335 5.857 -0.203
107 HA CYS 17 HA CYS 17 4.547 4.075 -2.185
108 HB2 CYS 17 HB2 CYS 17 5.098 3.242 0.572
109 HB3 CYS 17 HB1 CYS 17 6.176 3.279 -0.816
110 H CYS 18 HN CYS 18 3.842 1.797 -1.879
111 HA CYS 18 HA CYS 18 1.525 1.419 -0.158
112 HB2 CYS 18 HB2 CYS 18 0.657 2.314 -2.299
113 HB3 CYS 18 HB1 CYS 18 1.366 0.940 -3.136
114 H SER 19 HN SER 19 1.229 -0.594 0.570
115 HA SER 19 HA SER 19 3.418 -2.415 0.394
116 HB2 SER 19 HB2 SER 19 0.740 -2.688 1.767
117 HB3 SER 19 HB1 SER 19 2.111 -3.774 1.992
118 HG SER 19 HG SER 19 3.274 -2.078 2.875
119 H GLN 20 HN GLN 20 3.269 -4.680 0.006
120 HA GLN 20 HA GLN 20 2.689 -5.469 -2.505
121 HB2 GLN 20 HB2 GLN 20 2.922 -7.016 0.034
122 HB3 GLN 20 HB1 GLN 20 2.569 -7.848 -1.474
123 HG2 GLN 20 HG2 GLN 20 4.858 -5.975 -1.480
124 HG3 GLN 20 HG1 GLN 20 5.046 -7.477 -0.576
125 HE21 GLN 20 HE21 GLN 20 5.016 -9.437 -1.675
126 HE22 GLN 20 HE22 GLN 20 5.232 -9.535 -3.387
127 H PHE 21 HN PHE 21 0.480 -5.714 0.191
128 HA PHE 21 HA PHE 21 -1.561 -7.065 -1.343
129 HB2 PHE 21 HB2 PHE 21 -1.495 -5.926 1.446
130 HB3 PHE 21 HB1 PHE 21 -2.936 -6.650 0.750
131 HD1 PHE 21 HD1 PHE 21 0.398 -7.250 2.050
132 HD2 PHE 21 HD2 PHE 21 -3.085 -9.007 0.366
133 HE1 PHE 21 HE1 PHE 21 1.183 -9.477 2.776
134 HE2 PHE 21 HE2 PHE 21 -2.316 -11.243 1.085
135 HZ PHE 21 HZ PHE 21 -0.178 -11.476 2.291
136 H GLY 22 HN GLY 22 -0.915 -3.882 -0.109
137 HA2 GLY 22 HA2 GLY 22 -1.714 -2.122 -1.762
138 HA3 GLY 22 HA1 GLY 22 -3.299 -2.821 -1.456
139 H TYR 23 HN TYR 23 -0.533 -1.883 0.569
140 HA TYR 23 HA TYR 23 -2.401 -0.242 2.147
141 HB2 TYR 23 HB2 TYR 23 -1.145 -2.391 3.158
142 HB3 TYR 23 HB1 TYR 23 0.109 -1.188 3.434
143 HD1 TYR 23 HD1 TYR 23 -1.233 1.196 4.262
144 HD2 TYR 23 HD2 TYR 23 -2.257 -2.846 5.119
145 HE1 TYR 23 HE1 TYR 23 -2.411 1.933 6.294
146 HE2 TYR 23 HE2 TYR 23 -3.438 -2.118 7.152
147 HH TYR 23 HH TYR 23 -3.424 -0.217 8.713
148 H CYS 24 HN CYS 24 -2.124 1.753 1.540
149 HA CYS 24 HA CYS 24 0.364 2.800 0.579
150 HB2 CYS 24 HB2 CYS 24 -1.035 4.983 0.617
151 HB3 CYS 24 HB1 CYS 24 -1.498 3.710 -0.498
152 H GLY 25 HN GLY 25 1.786 4.126 1.504
153 HA2 GLY 25 HA2 GLY 25 1.365 5.533 3.944
154 HA3 GLY 25 HA1 GLY 25 2.295 4.066 4.213
155 H SER 26 HN SER 26 3.659 6.072 4.934
156 HA SER 26 HA SER 26 5.736 6.436 2.920
157 HB2 SER 26 HB2 SER 26 4.162 8.387 2.654
158 HB3 SER 26 HB1 SER 26 4.555 8.859 4.302
159 HG SER 26 HG SER 26 6.500 8.507 2.270
160 H THR 27 HN THR 27 4.810 5.761 5.999
161 HA THR 27 HA THR 27 7.471 6.147 7.076
162 HB THR 27 HB THR 27 6.752 8.217 7.818
163 HG1 THR 27 HG1 THR 27 5.755 6.878 10.064
164 HG21 THR 27 HG21 THR 27 4.069 7.158 8.708
165 HG22 THR 27 HG22 THR 27 4.349 7.864 7.116
166 HG23 THR 27 HG23 THR 27 4.581 8.840 8.566
167 HA PRO 28 HA PRO 28 5.038 3.081 9.917
168 HB2 PRO 28 HB2 PRO 28 2.674 2.140 8.520
169 HB3 PRO 28 HB1 PRO 28 2.754 3.061 10.030
170 HG2 PRO 28 HG2 PRO 28 1.698 4.074 7.763
171 HG3 PRO 28 HG1 PRO 28 2.509 5.073 8.985
172 HD2 PRO 28 HD2 PRO 28 3.660 3.950 6.430
173 HD3 PRO 28 HD1 PRO 28 3.739 5.616 7.052
174 HA PRO 29 HA PRO 29 6.360 -0.872 8.097
175 HB2 PRO 29 HB2 PRO 29 3.853 -2.313 8.807
176 HB3 PRO 29 HB1 PRO 29 5.526 -2.662 9.282
177 HG2 PRO 29 HG2 PRO 29 3.847 -1.677 11.042
178 HG3 PRO 29 HG1 PRO 29 5.521 -1.082 10.970
179 HD2 PRO 29 HD2 PRO 29 3.032 0.175 9.872
180 HD3 PRO 29 HD1 PRO 29 4.351 0.919 10.800
181 H TYR 30 HN TYR 30 5.177 0.806 6.288
182 HA TYR 30 HA TYR 30 4.240 -1.035 4.211
183 HB2 TYR 30 HB2 TYR 30 3.040 1.724 4.362
184 HB3 TYR 30 HB1 TYR 30 2.437 0.306 3.520
185 HD1 TYR 30 HD1 TYR 30 1.882 2.413 6.228
186 HD2 TYR 30 HD2 TYR 30 1.813 -1.714 5.200
187 HE1 TYR 30 HE1 TYR 30 0.370 1.968 8.119
188 HE2 TYR 30 HE2 TYR 30 0.303 -2.170 7.087
189 HH TYR 30 HH TYR 30 -0.303 -1.161 9.245
190 H CYS 31 HN CYS 31 5.835 1.829 5.302
191 HA CYS 31 HA CYS 31 7.481 1.910 2.934
192 HB2 CYS 31 HB2 CYS 31 5.530 3.552 2.618
193 HB3 CYS 31 HB1 CYS 31 6.309 4.505 3.876
194 H GLY 32 HN GLY 32 9.031 1.120 4.328
195 HA2 GLY 32 HA2 GLY 32 10.973 2.689 5.298
196 HA3 GLY 32 HA1 GLY 32 9.848 2.655 6.652
197 H ALA 33 HN ALA 33 9.102 0.458 7.301
198 HA ALA 33 HA ALA 33 10.863 -1.766 6.739
199 HB1 ALA 33 HB1 ALA 33 12.092 -0.605 8.532
200 HB2 ALA 33 HB2 ALA 33 11.485 -2.169 9.076
201 HB3 ALA 33 HB3 ALA 33 10.664 -0.686 9.562
202 H GLY 34 HN GLY 34 9.128 -2.854 5.978
203 HA2 GLY 34 HA2 GLY 34 7.564 -4.357 7.734
204 HA3 GLY 34 HA1 GLY 34 6.592 -2.995 7.201
205 H GLN 35 HN GLN 35 5.873 -2.882 5.105
206 HA GLN 35 HA GLN 35 6.474 -5.151 3.334
207 HB2 GLN 35 HB2 GLN 35 3.673 -4.096 3.818
208 HB3 GLN 35 HB1 GLN 35 4.121 -5.444 2.786
209 HG2 GLN 35 HG2 GLN 35 4.962 -6.602 4.862
210 HG3 GLN 35 HG1 GLN 35 4.203 -5.308 5.788
211 HE21 GLN 35 HE21 GLN 35 1.962 -5.163 5.853
212 HE22 GLN 35 HE22 GLN 35 0.940 -6.473 5.382
213 H CYS 36 HN CYS 36 7.795 -2.942 2.869
214 HA CYS 36 HA CYS 36 6.364 -1.042 1.239
215 HB2 CYS 36 HB2 CYS 36 8.271 -0.381 2.657
216 HB3 CYS 36 HB1 CYS 36 9.339 -1.376 1.673
217 H GLN 37 HN GLN 37 5.618 -1.700 -0.700
218 HA GLN 37 HA GLN 37 7.289 -3.349 -2.440
219 HB2 GLN 37 HB2 GLN 37 4.741 -3.671 -1.991
220 HB3 GLN 37 HB1 GLN 37 4.539 -2.340 -3.121
221 HG2 GLN 37 HG2 GLN 37 6.001 -3.760 -4.704
222 HG3 GLN 37 HG1 GLN 37 5.596 -5.092 -3.625
223 HE21 GLN 37 HE21 GLN 37 4.381 -2.795 -5.933
224 HE22 GLN 37 HE22 GLN 37 2.855 -3.561 -6.199
225 H SER 38 HN SER 38 5.432 -0.305 -2.637
226 HA SER 38 HA SER 38 7.006 0.556 -4.950
227 HB2 SER 38 HB2 SER 38 4.495 1.675 -3.675
228 HB3 SER 38 HB1 SER 38 5.309 2.408 -5.057
229 HG SER 38 HG SER 38 4.552 0.886 -6.320
230 H GLN 39 HN GLN 39 8.466 2.161 -4.878
231 HA GLN 39 HA GLN 39 10.037 3.563 -4.018
232 HB2 GLN 39 HB2 GLN 39 7.462 4.741 -3.009
233 HB3 GLN 39 HB1 GLN 39 9.003 5.522 -2.685
234 HG2 GLN 39 HG2 GLN 39 9.428 5.664 -5.094
235 HG3 GLN 39 HG1 GLN 39 7.870 4.900 -5.405
236 HE21 GLN 39 HE21 GLN 39 9.493 7.775 -4.319
237 HE22 GLN 39 HE22 GLN 39 8.128 8.829 -4.417
238 H CYS 40 HN CYS 40 11.440 2.566 -2.709
239 HA CYS 40 HA CYS 40 10.896 2.651 0.180
240 HB2 CYS 40 HB2 CYS 40 12.316 0.362 -1.195
241 HB3 CYS 40 HB1 CYS 40 11.882 0.474 0.508
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 -5.952 -0.999 5.549
2 H2 PHE 1 HT2 PHE 1 -7.390 -0.210 5.135
3 H3 PHE 1 HT3 PHE 1 -6.015 0.692 5.528
4 HA PHE 1 HA PHE 1 -4.865 -0.116 3.592
5 HB2 PHE 1 HB2 PHE 1 -7.432 -1.655 3.201
6 HB3 PHE 1 HB1 PHE 1 -6.304 -1.357 1.882
7 HD1 PHE 1 HD1 PHE 1 -4.208 -2.503 1.756
8 HD2 PHE 1 HD2 PHE 1 -6.815 -3.107 5.065
9 HE1 PHE 1 HE1 PHE 1 -2.893 -4.472 2.426
10 HE2 PHE 1 HE2 PHE 1 -5.506 -5.078 5.743
11 HZ PHE 1 HZ PHE 1 -3.542 -5.763 4.422
12 H GLN 2 HN GLN 2 -4.779 1.302 1.949
13 HA GLN 2 HA GLN 2 -7.172 2.856 1.259
14 HB2 GLN 2 HB2 GLN 2 -4.534 3.993 2.182
15 HB3 GLN 2 HB1 GLN 2 -5.697 4.938 1.263
16 HG2 GLN 2 HG2 GLN 2 -7.363 4.591 3.022
17 HG3 GLN 2 HG1 GLN 2 -6.186 3.657 3.944
18 HE21 GLN 2 HE21 GLN 2 -4.459 4.712 4.923
19 HE22 GLN 2 HE22 GLN 2 -4.445 6.422 5.166
20 H CYS 3 HN CYS 3 -4.587 1.064 0.203
21 HA CYS 3 HA CYS 3 -4.034 2.539 -2.236
22 HB2 CYS 3 HB2 CYS 3 -2.278 1.257 -0.983
23 HB3 CYS 3 HB1 CYS 3 -3.098 -0.224 -1.450
24 H GLY 4 HN GLY 4 -4.159 1.458 -4.353
25 HA2 GLY 4 HA2 GLY 4 -6.750 0.688 -5.047
26 HA3 GLY 4 HA1 GLY 4 -5.338 0.514 -6.071
27 H ARG 5 HN ARG 5 -3.983 -1.310 -4.203
28 HA ARG 5 HA ARG 5 -5.408 -3.739 -4.951
29 HB2 ARG 5 HB2 ARG 5 -2.663 -3.002 -4.745
30 HB3 ARG 5 HB1 ARG 5 -2.947 -4.301 -3.595
31 HG2 ARG 5 HG2 ARG 5 -3.839 -5.703 -5.365
32 HG3 ARG 5 HG1 ARG 5 -3.616 -4.395 -6.529
33 HD2 ARG 5 HD2 ARG 5 -1.203 -4.450 -6.120
34 HD3 ARG 5 HD1 ARG 5 -1.429 -5.755 -4.957
35 HE ARG 5 HE ARG 5 -2.560 -6.539 -7.393
36 HH11 ARG 5 HH11 ARG 5 0.631 -5.907 -6.069
37 HH12 ARG 5 HH12 ARG 5 1.423 -7.005 -7.149
38 HH21 ARG 5 HH21 ARG 5 0.215 -8.172 -8.691
39 HH22 ARG 5 HH22 ARG 5 -1.503 -7.971 -8.796
40 H GLN 6 HN GLN 6 -5.519 -5.556 -3.361
41 HA GLN 6 HA GLN 6 -6.243 -6.505 -1.437
42 HB2 GLN 6 HB2 GLN 6 -4.285 -4.806 -0.492
43 HB3 GLN 6 HB1 GLN 6 -5.694 -4.333 0.448
44 HG2 GLN 6 HG2 GLN 6 -4.786 -7.194 0.178
45 HG3 GLN 6 HG1 GLN 6 -4.228 -6.121 1.459
46 HE21 GLN 6 HE21 GLN 6 -6.920 -7.901 0.178
47 HE22 GLN 6 HE22 GLN 6 -7.928 -7.784 1.575
48 H ALA 7 HN ALA 7 -6.964 -3.108 -1.865
49 HA ALA 7 HA ALA 7 -9.502 -3.227 -0.466
50 HB1 ALA 7 HB1 ALA 7 -8.191 -0.975 -1.990
51 HB2 ALA 7 HB2 ALA 7 -8.075 -1.244 -0.250
52 HB3 ALA 7 HB3 ALA 7 -9.629 -0.838 -0.977
53 H GLY 8 HN GLY 8 -8.240 -3.233 -3.702
54 HA2 GLY 8 HA2 GLY 8 -9.553 -4.334 -5.436
55 HA3 GLY 8 HA1 GLY 8 -10.974 -3.550 -4.767
56 H GLY 9 HN GLY 9 -9.666 -0.960 -4.440
57 HA2 GLY 9 HA2 GLY 9 -8.592 0.035 -6.822
58 HA3 GLY 9 HA1 GLY 9 -10.337 0.179 -6.941
59 H ALA 10 HN ALA 10 -8.184 0.628 -4.131
60 HA ALA 10 HA ALA 10 -9.443 3.207 -3.609
61 HB1 ALA 10 HB1 ALA 10 -7.466 1.641 -1.952
62 HB2 ALA 10 HB2 ALA 10 -9.220 1.593 -1.781
63 HB3 ALA 10 HB3 ALA 10 -8.341 3.083 -1.438
64 H ARG 11 HN ARG 11 -7.768 4.883 -2.563
65 HA ARG 11 HA ARG 11 -5.325 5.041 -4.178
66 HB2 ARG 11 HB2 ARG 11 -7.515 7.109 -4.100
67 HB3 ARG 11 HB1 ARG 11 -5.859 7.535 -4.511
68 HG2 ARG 11 HG2 ARG 11 -5.926 5.942 -6.378
69 HG3 ARG 11 HG1 ARG 11 -7.600 5.561 -5.976
70 HD2 ARG 11 HD2 ARG 11 -7.717 7.126 -7.731
71 HD3 ARG 11 HD1 ARG 11 -8.080 8.037 -6.267
72 HE ARG 11 HE ARG 11 -5.362 8.291 -6.661
73 HH11 ARG 11 HH11 ARG 11 -8.245 9.141 -8.479
74 HH12 ARG 11 HH12 ARG 11 -7.494 10.492 -9.258
75 HH21 ARG 11 HH21 ARG 11 -4.400 10.065 -7.694
76 HH22 ARG 11 HH22 ARG 11 -5.319 11.014 -8.814
77 H CYS 12 HN CYS 12 -3.623 5.666 -3.081
78 HA CYS 12 HA CYS 12 -3.531 5.967 -0.338
79 HB2 CYS 12 HB2 CYS 12 -1.460 7.167 -2.147
80 HB3 CYS 12 HB1 CYS 12 -1.235 6.302 -0.633
81 H SER 13 HN SER 13 -2.177 7.887 0.687
82 HA SER 13 HA SER 13 -3.923 10.139 0.807
83 HB2 SER 13 HB2 SER 13 -2.575 9.181 2.760
84 HB3 SER 13 HB1 SER 13 -1.160 9.954 2.044
85 HG SER 13 HG SER 13 -1.858 11.524 3.304
86 H ASN 14 HN ASN 14 -0.560 9.774 -0.150
87 HA ASN 14 HA ASN 14 -0.821 11.911 -2.134
88 HB2 ASN 14 HB2 ASN 14 1.283 11.796 0.044
89 HB3 ASN 14 HB1 ASN 14 1.462 12.774 -1.408
90 HD21 ASN 14 HD21 ASN 14 0.156 14.580 -1.694
91 HD22 ASN 14 HD22 ASN 14 -0.722 15.293 -0.388
92 H GLY 15 HN GLY 15 1.706 11.957 -3.168
93 HA2 GLY 15 HA2 GLY 15 1.886 9.408 -4.492
94 HA3 GLY 15 HA1 GLY 15 2.926 10.801 -4.764
95 H LEU 16 HN LEU 16 2.210 8.415 -2.248
96 HA LEU 16 HA LEU 16 5.000 8.470 -1.380
97 HB2 LEU 16 HB2 LEU 16 3.939 7.060 0.576
98 HB3 LEU 16 HB1 LEU 16 3.780 8.800 0.522
99 HG LEU 16 HG LEU 16 1.495 8.194 -0.696
100 HD11 LEU 16 HD11 LEU 16 1.482 5.889 -0.770
101 HD12 LEU 16 HD12 LEU 16 0.534 6.245 0.674
102 HD13 LEU 16 HD13 LEU 16 2.208 5.732 0.829
103 HD21 LEU 16 HD21 LEU 16 1.694 9.556 1.276
104 HD22 LEU 16 HD22 LEU 16 1.963 8.124 2.269
105 HD23 LEU 16 HD23 LEU 16 0.404 8.375 1.489
106 H CYS 17 HN CYS 17 3.572 5.622 -0.331
107 HA CYS 17 HA CYS 17 4.593 4.007 -2.561
108 HB2 CYS 17 HB2 CYS 17 5.325 2.872 0.019
109 HB3 CYS 17 HB1 CYS 17 6.337 3.165 -1.387
110 H CYS 18 HN CYS 18 3.900 1.710 -2.409
111 HA CYS 18 HA CYS 18 1.599 1.249 -0.664
112 HB2 CYS 18 HB2 CYS 18 0.501 2.053 -2.615
113 HB3 CYS 18 HB1 CYS 18 1.538 1.113 -3.679
114 H SER 19 HN SER 19 1.500 -0.657 0.181
115 HA SER 19 HA SER 19 3.630 -2.499 -0.036
116 HB2 SER 19 HB2 SER 19 0.974 -2.614 1.386
117 HB3 SER 19 HB1 SER 19 2.189 -3.883 1.513
118 HG SER 19 HG SER 19 2.604 -1.149 2.155
119 H GLN 20 HN GLN 20 3.561 -4.713 -0.486
120 HA GLN 20 HA GLN 20 2.899 -5.481 -2.988
121 HB2 GLN 20 HB2 GLN 20 3.329 -7.093 -0.510
122 HB3 GLN 20 HB1 GLN 20 3.027 -7.874 -2.056
123 HG2 GLN 20 HG2 GLN 20 4.984 -6.758 -3.002
124 HG3 GLN 20 HG1 GLN 20 5.285 -5.975 -1.451
125 HE21 GLN 20 HE21 GLN 20 5.372 -8.960 -3.224
126 HE22 GLN 20 HE22 GLN 20 6.330 -9.844 -2.089
127 H PHE 21 HN PHE 21 0.796 -5.803 -0.220
128 HA PHE 21 HA PHE 21 -1.188 -7.288 -1.731
129 HB2 PHE 21 HB2 PHE 21 -1.069 -6.320 1.114
130 HB3 PHE 21 HB1 PHE 21 -2.521 -7.034 0.428
131 HD1 PHE 21 HD1 PHE 21 -2.630 -9.362 -0.122
132 HD2 PHE 21 HD2 PHE 21 0.882 -7.638 1.538
133 HE1 PHE 21 HE1 PHE 21 -1.777 -11.621 0.399
134 HE2 PHE 21 HE2 PHE 21 1.751 -9.890 2.064
135 HZ PHE 21 HZ PHE 21 0.417 -11.884 1.492
136 H GLY 22 HN GLY 22 -0.663 -4.086 -0.508
137 HA2 GLY 22 HA2 GLY 22 -1.729 -2.379 -2.068
138 HA3 GLY 22 HA1 GLY 22 -3.229 -3.182 -1.632
139 H TYR 23 HN TYR 23 -0.406 -2.256 0.323
140 HA TYR 23 HA TYR 23 -2.216 -0.580 1.940
141 HB2 TYR 23 HB2 TYR 23 -0.897 -2.807 2.865
142 HB3 TYR 23 HB1 TYR 23 0.216 -1.517 3.307
143 HD1 TYR 23 HD1 TYR 23 -1.661 -3.457 4.982
144 HD2 TYR 23 HD2 TYR 23 -1.850 0.656 3.895
145 HE1 TYR 23 HE1 TYR 23 -3.059 -3.005 6.955
146 HE2 TYR 23 HE2 TYR 23 -3.250 1.116 5.865
147 HH TYR 23 HH TYR 23 -4.757 -0.099 7.380
148 H CYS 24 HN CYS 24 -1.840 1.433 1.371
149 HA CYS 24 HA CYS 24 0.803 2.315 0.605
150 HB2 CYS 24 HB2 CYS 24 -1.857 3.140 0.054
151 HB3 CYS 24 HB1 CYS 24 -0.975 4.497 0.741
152 H GLY 25 HN GLY 25 2.027 3.833 1.528
153 HA2 GLY 25 HA2 GLY 25 1.291 5.295 3.853
154 HA3 GLY 25 HA1 GLY 25 2.284 3.905 4.265
155 H SER 26 HN SER 26 3.320 6.109 4.983
156 HA SER 26 HA SER 26 5.653 6.504 3.274
157 HB2 SER 26 HB2 SER 26 5.464 9.028 3.525
158 HB3 SER 26 HB1 SER 26 4.263 8.314 2.457
159 HG SER 26 HG SER 26 3.449 9.870 4.022
160 H THR 27 HN THR 27 4.396 5.740 6.094
161 HA THR 27 HA THR 27 6.667 6.559 7.671
162 HB THR 27 HB THR 27 5.593 8.475 8.307
163 HG1 THR 27 HG1 THR 27 4.016 6.989 10.076
164 HG21 THR 27 HG21 THR 27 2.834 7.278 8.361
165 HG22 THR 27 HG22 THR 27 3.551 7.838 6.850
166 HG23 THR 27 HG23 THR 27 3.309 8.967 8.181
167 HA PRO 28 HA PRO 28 4.251 3.178 10.060
168 HB2 PRO 28 HB2 PRO 28 2.015 2.142 8.581
169 HB3 PRO 28 HB1 PRO 28 1.964 3.198 10.002
170 HG2 PRO 28 HG2 PRO 28 1.086 3.964 7.539
171 HG3 PRO 28 HG1 PRO 28 1.704 5.091 8.762
172 HD2 PRO 28 HD2 PRO 28 3.205 3.826 6.463
173 HD3 PRO 28 HD1 PRO 28 3.119 5.546 6.925
174 HA PRO 29 HA PRO 29 5.845 -0.681 8.307
175 HB2 PRO 29 HB2 PRO 29 3.439 -2.259 9.054
176 HB3 PRO 29 HB1 PRO 29 5.126 -2.471 9.559
177 HG2 PRO 29 HG2 PRO 29 3.349 -1.542 11.260
178 HG3 PRO 29 HG1 PRO 29 4.984 -0.848 11.195
179 HD2 PRO 29 HD2 PRO 29 2.446 0.215 10.012
180 HD3 PRO 29 HD1 PRO 29 3.696 1.069 10.940
181 H TYR 30 HN TYR 30 4.705 0.817 6.381
182 HA TYR 30 HA TYR 30 3.772 -1.160 4.426
183 HB2 TYR 30 HB2 TYR 30 2.612 1.614 4.318
184 HB3 TYR 30 HB1 TYR 30 1.997 0.136 3.603
185 HD1 TYR 30 HD1 TYR 30 1.507 -1.708 5.671
186 HD2 TYR 30 HD2 TYR 30 1.182 2.529 5.859
187 HE1 TYR 30 HE1 TYR 30 -0.090 -1.924 7.525
188 HE2 TYR 30 HE2 TYR 30 -0.417 2.319 7.723
189 HH TYR 30 HH TYR 30 -1.980 0.660 8.633
190 H CYS 31 HN CYS 31 5.263 1.842 5.304
191 HA CYS 31 HA CYS 31 7.130 1.656 3.158
192 HB2 CYS 31 HB2 CYS 31 5.282 3.071 2.176
193 HB3 CYS 31 HB1 CYS 31 5.679 4.279 3.395
194 H GLY 32 HN GLY 32 8.588 1.281 4.626
195 HA2 GLY 32 HA2 GLY 32 10.244 3.139 5.661
196 HA3 GLY 32 HA1 GLY 32 9.030 2.964 6.928
197 H ALA 33 HN ALA 33 8.392 0.386 6.852
198 HA ALA 33 HA ALA 33 10.419 -1.531 6.610
199 HB1 ALA 33 HB1 ALA 33 9.970 -0.621 9.469
200 HB2 ALA 33 HB2 ALA 33 11.449 -0.380 8.541
201 HB3 ALA 33 HB3 ALA 33 10.930 -2.012 8.963
202 H GLY 34 HN GLY 34 8.907 -2.811 5.755
203 HA2 GLY 34 HA2 GLY 34 7.277 -4.389 7.409
204 HA3 GLY 34 HA1 GLY 34 6.277 -3.151 6.662
205 H GLN 35 HN GLN 35 5.908 -3.179 4.469
206 HA GLN 35 HA GLN 35 6.992 -5.357 2.864
207 HB2 GLN 35 HB2 GLN 35 4.514 -5.743 2.048
208 HB3 GLN 35 HB1 GLN 35 5.125 -6.574 3.468
209 HG2 GLN 35 HG2 GLN 35 4.063 -4.816 4.877
210 HG3 GLN 35 HG1 GLN 35 3.348 -4.141 3.417
211 HE21 GLN 35 HE21 GLN 35 1.728 -5.303 2.342
212 HE22 GLN 35 HE22 GLN 35 0.860 -6.580 3.113
213 H CYS 36 HN CYS 36 7.913 -3.040 2.397
214 HA CYS 36 HA CYS 36 6.366 -1.315 0.718
215 HB2 CYS 36 HB2 CYS 36 8.672 -0.324 0.219
216 HB3 CYS 36 HB1 CYS 36 8.125 -0.286 1.891
217 H GLN 37 HN GLN 37 5.800 -1.641 -1.343
218 HA GLN 37 HA GLN 37 7.432 -3.394 -3.031
219 HB2 GLN 37 HB2 GLN 37 4.893 -3.693 -2.700
220 HB3 GLN 37 HB1 GLN 37 4.721 -2.282 -3.733
221 HG2 GLN 37 HG2 GLN 37 6.065 -3.509 -5.460
222 HG3 GLN 37 HG1 GLN 37 5.927 -4.940 -4.442
223 HE21 GLN 37 HE21 GLN 37 3.989 -6.016 -4.318
224 HE22 GLN 37 HE22 GLN 37 2.651 -5.673 -5.355
225 H SER 38 HN SER 38 5.829 -0.205 -3.105
226 HA SER 38 HA SER 38 7.131 0.565 -5.556
227 HB2 SER 38 HB2 SER 38 5.315 2.080 -3.677
228 HB3 SER 38 HB1 SER 38 5.945 2.747 -5.184
229 HG SER 38 HG SER 38 4.956 0.796 -6.172
230 H GLN 39 HN GLN 39 7.159 1.862 -2.268
231 HA GLN 39 HA GLN 39 9.976 2.590 -2.562
232 HB2 GLN 39 HB2 GLN 39 7.785 4.488 -2.505
233 HB3 GLN 39 HB1 GLN 39 8.858 4.736 -1.136
234 HG2 GLN 39 HG2 GLN 39 9.928 4.492 -3.923
235 HG3 GLN 39 HG1 GLN 39 9.310 6.024 -3.308
236 HE21 GLN 39 HE21 GLN 39 10.420 7.081 -1.659
237 HE22 GLN 39 HE22 GLN 39 12.053 6.689 -1.254
238 H CYS 40 HN CYS 40 11.100 2.844 -0.586
239 HA CYS 40 HA CYS 40 9.669 1.889 1.803
240 HB2 CYS 40 HB2 CYS 40 11.435 0.340 0.424
241 HB3 CYS 40 HB1 CYS 40 12.509 1.115 1.584
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 -6.214 -2.487 0.382
2 H2 PHE 1 HT2 PHE 1 -5.554 -3.378 1.659
3 H3 PHE 1 HT3 PHE 1 -4.872 -1.893 1.224
4 HA PHE 1 HA PHE 1 -7.571 -2.297 2.354
5 HB2 PHE 1 HB2 PHE 1 -5.115 -1.012 3.569
6 HB3 PHE 1 HB1 PHE 1 -6.695 -1.134 4.332
7 HD1 PHE 1 HD1 PHE 1 -3.655 -2.925 3.395
8 HD2 PHE 1 HD2 PHE 1 -7.484 -3.233 5.223
9 HE1 PHE 1 HE1 PHE 1 -3.015 -5.096 4.365
10 HE2 PHE 1 HE2 PHE 1 -6.852 -5.404 6.199
11 HZ PHE 1 HZ PHE 1 -4.613 -6.338 5.768
12 H GLN 2 HN GLN 2 -5.187 -0.138 1.003
13 HA GLN 2 HA GLN 2 -7.287 1.854 0.519
14 HB2 GLN 2 HB2 GLN 2 -4.615 2.376 1.808
15 HB3 GLN 2 HB1 GLN 2 -5.537 3.651 1.025
16 HG2 GLN 2 HG2 GLN 2 -7.393 3.255 2.560
17 HG3 GLN 2 HG1 GLN 2 -6.474 1.970 3.341
18 HE21 GLN 2 HE21 GLN 2 -4.709 2.502 4.632
19 HE22 GLN 2 HE22 GLN 2 -4.460 4.103 5.232
20 H CYS 3 HN CYS 3 -4.859 -0.032 -0.835
21 HA CYS 3 HA CYS 3 -5.000 1.421 -3.331
22 HB2 CYS 3 HB2 CYS 3 -2.550 1.720 -3.596
23 HB3 CYS 3 HB1 CYS 3 -3.164 2.647 -2.230
24 H GLY 4 HN GLY 4 -5.119 -0.003 -4.929
25 HA2 GLY 4 HA2 GLY 4 -4.246 -1.726 -6.295
26 HA3 GLY 4 HA1 GLY 4 -3.385 -2.363 -4.907
27 H ARG 5 HN ARG 5 -4.036 -4.446 -5.102
28 HA ARG 5 HA ARG 5 -6.866 -5.063 -5.281
29 HB2 ARG 5 HB2 ARG 5 -5.039 -6.297 -6.574
30 HB3 ARG 5 HB1 ARG 5 -4.616 -7.063 -5.049
31 HG2 ARG 5 HG2 ARG 5 -6.921 -7.929 -4.885
32 HG3 ARG 5 HG1 ARG 5 -7.262 -7.237 -6.472
33 HD2 ARG 5 HD2 ARG 5 -5.442 -8.616 -7.419
34 HD3 ARG 5 HD1 ARG 5 -5.206 -9.348 -5.832
35 HE ARG 5 HE ARG 5 -7.879 -9.690 -6.482
36 HH11 ARG 5 HH11 ARG 5 -4.790 -10.752 -7.773
37 HH12 ARG 5 HH12 ARG 5 -5.438 -12.220 -8.426
38 HH21 ARG 5 HH21 ARG 5 -7.653 -12.708 -8.182
39 HH22 ARG 5 HH22 ARG 5 -8.705 -11.617 -7.343
40 H GLN 6 HN GLN 6 -7.823 -4.657 -3.505
41 HA GLN 6 HA GLN 6 -7.822 -6.402 -1.290
42 HB2 GLN 6 HB2 GLN 6 -6.369 -3.817 -0.991
43 HB3 GLN 6 HB1 GLN 6 -7.498 -4.233 0.289
44 HG2 GLN 6 HG2 GLN 6 -5.439 -6.209 -0.619
45 HG3 GLN 6 HG1 GLN 6 -5.017 -4.929 0.516
46 HE21 GLN 6 HE21 GLN 6 -6.856 -7.834 0.019
47 HE22 GLN 6 HE22 GLN 6 -7.239 -8.121 1.678
48 H ALA 7 HN ALA 7 -8.533 -3.412 -2.828
49 HA ALA 7 HA ALA 7 -11.301 -3.382 -1.833
50 HB1 ALA 7 HB1 ALA 7 -9.566 -1.072 -2.713
51 HB2 ALA 7 HB2 ALA 7 -9.998 -1.461 -1.048
52 HB3 ALA 7 HB3 ALA 7 -11.246 -0.955 -2.187
53 H GLY 8 HN GLY 8 -9.135 -3.485 -4.493
54 HA2 GLY 8 HA2 GLY 8 -9.912 -4.365 -6.615
55 HA3 GLY 8 HA1 GLY 8 -11.388 -3.436 -6.400
56 H GLY 9 HN GLY 9 -10.011 -1.058 -5.487
57 HA2 GLY 9 HA2 GLY 9 -8.099 -0.089 -7.283
58 HA3 GLY 9 HA1 GLY 9 -9.683 0.286 -7.946
59 H ALA 10 HN ALA 10 -7.357 1.009 -5.473
60 HA ALA 10 HA ALA 10 -8.968 3.342 -4.672
61 HB1 ALA 10 HB1 ALA 10 -9.107 1.627 -2.926
62 HB2 ALA 10 HB2 ALA 10 -8.249 3.060 -2.358
63 HB3 ALA 10 HB3 ALA 10 -7.347 1.610 -2.802
64 H ARG 11 HN ARG 11 -7.270 4.698 -3.069
65 HA ARG 11 HA ARG 11 -4.701 4.962 -4.460
66 HB2 ARG 11 HB2 ARG 11 -6.737 7.163 -4.101
67 HB3 ARG 11 HB1 ARG 11 -5.036 7.495 -4.397
68 HG2 ARG 11 HG2 ARG 11 -5.177 6.257 -6.516
69 HG3 ARG 11 HG1 ARG 11 -6.894 5.980 -6.222
70 HD2 ARG 11 HD2 ARG 11 -6.802 7.827 -7.676
71 HD3 ARG 11 HD1 ARG 11 -7.127 8.506 -6.082
72 HE ARG 11 HE ARG 11 -4.393 8.565 -6.354
73 HH11 ARG 11 HH11 ARG 11 -7.086 9.940 -8.141
74 HH12 ARG 11 HH12 ARG 11 -6.176 11.311 -8.680
75 HH21 ARG 11 HH21 ARG 11 -3.222 10.367 -7.074
76 HH22 ARG 11 HH22 ARG 11 -3.991 11.551 -8.077
77 H CYS 12 HN CYS 12 -3.095 6.173 -3.273
78 HA CYS 12 HA CYS 12 -3.233 5.661 -0.457
79 HB2 CYS 12 HB2 CYS 12 -1.095 6.677 -2.306
80 HB3 CYS 12 HB1 CYS 12 -0.855 6.641 -0.564
81 H SER 13 HN SER 13 -1.789 7.554 0.833
82 HA SER 13 HA SER 13 -3.713 9.663 1.183
83 HB2 SER 13 HB2 SER 13 -2.304 8.449 3.029
84 HB3 SER 13 HB1 SER 13 -1.050 9.608 2.590
85 HG SER 13 HG SER 13 -3.267 10.988 2.848
86 H ASN 14 HN ASN 14 -0.294 9.565 0.359
87 HA ASN 14 HA ASN 14 -0.568 11.991 -1.260
88 HB2 ASN 14 HB2 ASN 14 1.448 11.594 0.967
89 HB3 ASN 14 HB1 ASN 14 1.650 12.800 -0.299
90 HD21 ASN 14 HD21 ASN 14 -0.171 11.855 2.501
91 HD22 ASN 14 HD22 ASN 14 -0.957 13.372 2.755
92 H GLY 15 HN GLY 15 2.055 12.292 -2.072
93 HA2 GLY 15 HA2 GLY 15 2.368 10.064 -3.868
94 HA3 GLY 15 HA1 GLY 15 3.382 11.499 -3.796
95 H LEU 16 HN LEU 16 2.577 8.766 -1.693
96 HA LEU 16 HA LEU 16 5.392 8.549 -0.900
97 HB2 LEU 16 HB2 LEU 16 4.235 7.042 0.954
98 HB3 LEU 16 HB1 LEU 16 4.291 8.782 1.089
99 HG LEU 16 HG LEU 16 1.922 8.633 -0.067
100 HD11 LEU 16 HD11 LEU 16 2.323 5.897 1.064
101 HD12 LEU 16 HD12 LEU 16 1.665 6.370 -0.504
102 HD13 LEU 16 HD13 LEU 16 0.731 6.640 0.966
103 HD21 LEU 16 HD21 LEU 16 2.462 9.550 2.166
104 HD22 LEU 16 HD22 LEU 16 2.266 7.924 2.827
105 HD23 LEU 16 HD23 LEU 16 0.901 8.741 2.077
106 H CYS 17 HN CYS 17 3.726 5.740 -0.057
107 HA CYS 17 HA CYS 17 4.418 4.322 -2.525
108 HB2 CYS 17 HB2 CYS 17 5.661 2.595 -1.287
109 HB3 CYS 17 HB1 CYS 17 6.394 4.173 -1.020
110 H CYS 18 HN CYS 18 3.772 1.898 -2.234
111 HA CYS 18 HA CYS 18 1.314 1.584 -0.678
112 HB2 CYS 18 HB2 CYS 18 0.510 2.307 -2.838
113 HB3 CYS 18 HB1 CYS 18 1.568 1.176 -3.670
114 H SER 19 HN SER 19 1.462 -0.212 0.453
115 HA SER 19 HA SER 19 3.528 -2.141 -0.025
116 HB2 SER 19 HB2 SER 19 1.423 -1.806 2.076
117 HB3 SER 19 HB1 SER 19 2.430 -3.250 2.022
118 HG SER 19 HG SER 19 4.087 -1.264 1.793
119 H GLN 20 HN GLN 20 3.200 -4.419 0.013
120 HA GLN 20 HA GLN 20 2.078 -5.508 -2.152
121 HB2 GLN 20 HB2 GLN 20 2.600 -6.781 0.505
122 HB3 GLN 20 HB1 GLN 20 2.127 -7.712 -0.908
123 HG2 GLN 20 HG2 GLN 20 4.109 -6.981 -2.092
124 HG3 GLN 20 HG1 GLN 20 4.568 -5.957 -0.733
125 HE21 GLN 20 HE21 GLN 20 4.322 -9.210 -1.923
126 HE22 GLN 20 HE22 GLN 20 5.285 -9.950 -0.694
127 H PHE 21 HN PHE 21 0.279 -5.123 0.848
128 HA PHE 21 HA PHE 21 -2.022 -6.249 -0.591
129 HB2 PHE 21 HB2 PHE 21 -0.918 -7.053 1.917
130 HB3 PHE 21 HB1 PHE 21 -2.570 -6.487 2.158
131 HD1 PHE 21 HD1 PHE 21 -4.442 -7.616 1.119
132 HD2 PHE 21 HD2 PHE 21 -0.453 -8.983 0.545
133 HE1 PHE 21 HE1 PHE 21 -5.304 -9.754 0.252
134 HE2 PHE 21 HE2 PHE 21 -1.306 -11.125 -0.322
135 HZ PHE 21 HZ PHE 21 -3.735 -11.511 -0.472
136 H GLY 22 HN GLY 22 -1.368 -3.512 -0.666
137 HA2 GLY 22 HA2 GLY 22 -2.689 -1.631 -0.868
138 HA3 GLY 22 HA1 GLY 22 -3.980 -2.488 -0.051
139 H TYR 23 HN TYR 23 -0.690 -1.719 1.013
140 HA TYR 23 HA TYR 23 -1.915 -0.171 3.184
141 HB2 TYR 23 HB2 TYR 23 -0.111 -2.398 3.335
142 HB3 TYR 23 HB1 TYR 23 0.653 -0.973 4.037
143 HD1 TYR 23 HD1 TYR 23 -0.836 -3.759 5.003
144 HD2 TYR 23 HD2 TYR 23 -1.479 0.431 5.371
145 HE1 TYR 23 HE1 TYR 23 -2.109 -4.143 7.080
146 HE2 TYR 23 HE2 TYR 23 -2.757 0.060 7.448
147 HH TYR 23 HH TYR 23 -2.749 -2.904 9.103
148 H CYS 24 HN CYS 24 -1.752 1.818 2.565
149 HA CYS 24 HA CYS 24 0.589 2.894 1.257
150 HB2 CYS 24 HB2 CYS 24 -1.952 4.196 2.238
151 HB3 CYS 24 HB1 CYS 24 -0.699 5.010 1.312
152 H GLY 25 HN GLY 25 1.978 4.444 2.111
153 HA2 GLY 25 HA2 GLY 25 1.665 5.581 4.673
154 HA3 GLY 25 HA1 GLY 25 2.678 4.155 4.792
155 H SER 26 HN SER 26 3.696 6.349 5.602
156 HA SER 26 HA SER 26 5.948 6.861 3.851
157 HB2 SER 26 HB2 SER 26 4.284 8.631 3.204
158 HB3 SER 26 HB1 SER 26 4.295 9.199 4.868
159 HG SER 26 HG SER 26 6.387 9.837 4.634
160 H THR 27 HN THR 27 4.838 5.877 6.586
161 HA THR 27 HA THR 27 6.995 6.899 8.228
162 HB THR 27 HB THR 27 5.662 8.464 9.169
163 HG1 THR 27 HG1 THR 27 4.047 6.734 10.561
164 HG21 THR 27 HG21 THR 27 3.801 7.717 7.426
165 HG22 THR 27 HG22 THR 27 3.422 8.799 8.765
166 HG23 THR 27 HG23 THR 27 3.028 7.085 8.881
167 HA PRO 28 HA PRO 28 5.354 2.904 10.284
168 HB2 PRO 28 HB2 PRO 28 3.081 1.761 8.953
169 HB3 PRO 28 HB1 PRO 28 3.084 2.670 10.475
170 HG2 PRO 28 HG2 PRO 28 1.843 3.554 8.216
171 HG3 PRO 28 HG1 PRO 28 2.485 4.629 9.471
172 HD2 PRO 28 HD2 PRO 28 3.843 3.732 6.920
173 HD3 PRO 28 HD1 PRO 28 3.609 5.393 7.525
174 HA PRO 29 HA PRO 29 7.122 -0.583 7.954
175 HB2 PRO 29 HB2 PRO 29 4.884 -2.407 8.694
176 HB3 PRO 29 HB1 PRO 29 6.626 -2.586 8.979
177 HG2 PRO 29 HG2 PRO 29 5.039 -2.005 10.980
178 HG3 PRO 29 HG1 PRO 29 6.608 -1.185 10.819
179 HD2 PRO 29 HD2 PRO 29 3.880 -0.175 10.111
180 HD3 PRO 29 HD1 PRO 29 5.197 0.650 10.973
181 H TYR 30 HN TYR 30 5.735 1.042 6.325
182 HA TYR 30 HA TYR 30 4.734 -0.740 4.219
183 HB2 TYR 30 HB2 TYR 30 3.425 1.946 4.636
184 HB3 TYR 30 HB1 TYR 30 2.846 0.580 3.700
185 HD1 TYR 30 HD1 TYR 30 2.713 -1.636 5.496
186 HD2 TYR 30 HD2 TYR 30 1.962 2.467 6.325
187 HE1 TYR 30 HE1 TYR 30 1.276 -2.293 7.381
188 HE2 TYR 30 HE2 TYR 30 0.521 1.816 8.218
189 HH TYR 30 HH TYR 30 0.449 -1.324 9.484
190 H CYS 31 HN CYS 31 6.145 2.251 5.326
191 HA CYS 31 HA CYS 31 7.469 2.606 2.755
192 HB2 CYS 31 HB2 CYS 31 5.662 4.438 3.944
193 HB3 CYS 31 HB1 CYS 31 7.279 5.138 3.960
194 H GLY 32 HN GLY 32 7.651 2.518 6.126
195 HA2 GLY 32 HA2 GLY 32 10.503 3.172 5.914
196 HA3 GLY 32 HA1 GLY 32 9.529 3.611 7.311
197 H ALA 33 HN ALA 33 10.678 0.865 5.418
198 HA ALA 33 HA ALA 33 11.321 -1.247 5.910
199 HB1 ALA 33 HB1 ALA 33 12.202 -1.789 8.110
200 HB2 ALA 33 HB2 ALA 33 11.472 -0.332 8.786
201 HB3 ALA 33 HB3 ALA 33 12.772 -0.197 7.602
202 H GLY 34 HN GLY 34 9.712 -2.561 5.423
203 HA2 GLY 34 HA2 GLY 34 8.238 -3.924 7.351
204 HA3 GLY 34 HA1 GLY 34 7.211 -2.634 6.745
205 H GLN 35 HN GLN 35 6.248 -2.821 4.788
206 HA GLN 35 HA GLN 35 6.894 -5.177 3.144
207 HB2 GLN 35 HB2 GLN 35 4.054 -4.310 3.724
208 HB3 GLN 35 HB1 GLN 35 4.579 -5.770 2.904
209 HG2 GLN 35 HG2 GLN 35 5.652 -6.449 5.100
210 HG3 GLN 35 HG1 GLN 35 4.766 -5.111 5.829
211 HE21 GLN 35 HE21 GLN 35 4.517 -8.234 4.323
212 HE22 GLN 35 HE22 GLN 35 2.879 -8.549 4.776
213 H CYS 36 HN CYS 36 7.823 -2.644 2.565
214 HA CYS 36 HA CYS 36 6.107 -1.138 0.863
215 HB2 CYS 36 HB2 CYS 36 8.268 -0.017 0.172
216 HB3 CYS 36 HB1 CYS 36 7.903 0.018 1.893
217 H GLN 37 HN GLN 37 5.347 -1.793 -1.024
218 HA GLN 37 HA GLN 37 6.907 -3.569 -2.739
219 HB2 GLN 37 HB2 GLN 37 4.442 -3.942 -2.135
220 HB3 GLN 37 HB1 GLN 37 4.088 -2.600 -3.213
221 HG2 GLN 37 HG2 GLN 37 5.303 -3.896 -5.009
222 HG3 GLN 37 HG1 GLN 37 5.274 -5.268 -3.904
223 HE21 GLN 37 HE21 GLN 37 3.324 -6.283 -3.458
224 HE22 GLN 37 HE22 GLN 37 1.904 -6.018 -4.402
225 H SER 38 HN SER 38 5.230 -0.429 -2.888
226 HA SER 38 HA SER 38 6.068 0.180 -5.545
227 HB2 SER 38 HB2 SER 38 4.905 1.983 -3.416
228 HB3 SER 38 HB1 SER 38 5.089 2.410 -5.115
229 HG SER 38 HG SER 38 3.612 0.827 -5.653
230 H GLN 39 HN GLN 39 6.889 1.740 -2.476
231 HA GLN 39 HA GLN 39 9.647 2.104 -3.349
232 HB2 GLN 39 HB2 GLN 39 7.724 4.340 -2.801
233 HB3 GLN 39 HB1 GLN 39 9.430 4.550 -2.433
234 HG2 GLN 39 HG2 GLN 39 9.988 4.056 -4.761
235 HG3 GLN 39 HG1 GLN 39 8.275 3.853 -5.123
236 HE21 GLN 39 HE21 GLN 39 6.937 5.657 -5.186
237 HE22 GLN 39 HE22 GLN 39 7.563 7.264 -5.296
238 H CYS 40 HN CYS 40 11.125 2.303 -1.691
239 HA CYS 40 HA CYS 40 10.060 1.886 1.024
240 HB2 CYS 40 HB2 CYS 40 12.682 0.884 -0.108
241 HB3 CYS 40 HB1 CYS 40 12.059 0.567 1.507
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 -6.382 -0.579 4.919
2 H2 PHE 1 HT2 PHE 1 -5.709 0.912 5.345
3 H3 PHE 1 HT3 PHE 1 -4.811 -0.507 5.544
4 HA PHE 1 HA PHE 1 -4.073 0.743 3.623
5 HB2 PHE 1 HB2 PHE 1 -4.430 -1.136 1.895
6 HB3 PHE 1 HB1 PHE 1 -3.669 -1.593 3.414
7 HD1 PHE 1 HD1 PHE 1 -4.748 -3.055 4.940
8 HD2 PHE 1 HD2 PHE 1 -6.704 -1.796 1.384
9 HE1 PHE 1 HE1 PHE 1 -6.464 -4.793 5.281
10 HE2 PHE 1 HE2 PHE 1 -8.429 -3.530 1.711
11 HZ PHE 1 HZ PHE 1 -8.309 -5.030 3.662
12 H GLN 2 HN GLN 2 -4.461 1.488 1.503
13 HA GLN 2 HA GLN 2 -7.216 1.787 0.594
14 HB2 GLN 2 HB2 GLN 2 -5.458 4.064 1.482
15 HB3 GLN 2 HB1 GLN 2 -6.703 4.315 0.268
16 HG2 GLN 2 HG2 GLN 2 -8.398 3.537 1.856
17 HG3 GLN 2 HG1 GLN 2 -7.141 3.307 3.071
18 HE21 GLN 2 HE21 GLN 2 -6.177 5.102 4.020
19 HE22 GLN 2 HE22 GLN 2 -6.878 6.679 3.926
20 H CYS 3 HN CYS 3 -4.944 0.346 -0.421
21 HA CYS 3 HA CYS 3 -4.774 1.504 -3.092
22 HB2 CYS 3 HB2 CYS 3 -2.808 2.448 -2.061
23 HB3 CYS 3 HB1 CYS 3 -2.360 0.898 -1.366
24 H GLY 4 HN GLY 4 -3.813 -0.017 -4.668
25 HA2 GLY 4 HA2 GLY 4 -3.515 -2.059 -5.659
26 HA3 GLY 4 HA1 GLY 4 -3.241 -2.722 -4.064
27 H ARG 5 HN ARG 5 -4.264 -4.608 -4.572
28 HA ARG 5 HA ARG 5 -7.059 -4.585 -5.359
29 HB2 ARG 5 HB2 ARG 5 -6.771 -7.089 -5.455
30 HB3 ARG 5 HB1 ARG 5 -5.758 -6.170 -6.557
31 HG2 ARG 5 HG2 ARG 5 -4.009 -6.361 -4.615
32 HG3 ARG 5 HG1 ARG 5 -5.003 -7.747 -4.153
33 HD2 ARG 5 HD2 ARG 5 -4.797 -8.598 -6.462
34 HD3 ARG 5 HD1 ARG 5 -3.704 -7.263 -6.821
35 HE ARG 5 HE ARG 5 -2.777 -8.713 -4.573
36 HH11 ARG 5 HH11 ARG 5 -2.980 -8.981 -8.069
37 HH12 ARG 5 HH12 ARG 5 -1.603 -10.026 -8.183
38 HH21 ARG 5 HH21 ARG 5 -0.472 -10.649 -6.303
39 HH22 ARG 5 HH22 ARG 5 -0.979 -10.082 -4.747
40 H GLN 6 HN GLN 6 -5.312 -4.707 -2.428
41 HA GLN 6 HA GLN 6 -6.867 -6.450 -0.854
42 HB2 GLN 6 HB2 GLN 6 -4.915 -4.336 -0.363
43 HB3 GLN 6 HB1 GLN 6 -6.148 -4.426 0.887
44 HG2 GLN 6 HG2 GLN 6 -4.491 -6.776 -0.039
45 HG3 GLN 6 HG1 GLN 6 -4.120 -5.776 1.366
46 HE21 GLN 6 HE21 GLN 6 -5.276 -6.034 3.234
47 HE22 GLN 6 HE22 GLN 6 -6.398 -7.324 3.483
48 H ALA 7 HN ALA 7 -7.369 -3.242 -2.003
49 HA ALA 7 HA ALA 7 -9.789 -2.838 -0.410
50 HB1 ALA 7 HB1 ALA 7 -8.104 -1.074 -0.338
51 HB2 ALA 7 HB2 ALA 7 -9.594 -0.502 -1.087
52 HB3 ALA 7 HB3 ALA 7 -8.202 -0.910 -2.090
53 H GLY 8 HN GLY 8 -8.575 -3.022 -3.687
54 HA2 GLY 8 HA2 GLY 8 -10.042 -4.087 -5.354
55 HA3 GLY 8 HA1 GLY 8 -11.353 -3.121 -4.694
56 H GLY 9 HN GLY 9 -10.056 -0.649 -4.483
57 HA2 GLY 9 HA2 GLY 9 -8.693 0.201 -6.786
58 HA3 GLY 9 HA1 GLY 9 -10.416 0.409 -7.064
59 H ALA 10 HN ALA 10 -7.820 1.194 -4.782
60 HA ALA 10 HA ALA 10 -9.124 3.786 -4.273
61 HB1 ALA 10 HB1 ALA 10 -8.449 3.659 -1.928
62 HB2 ALA 10 HB2 ALA 10 -7.753 2.062 -2.204
63 HB3 ALA 10 HB3 ALA 10 -9.494 2.304 -2.357
64 H ARG 11 HN ARG 11 -7.381 5.220 -2.963
65 HA ARG 11 HA ARG 11 -4.715 4.899 -4.144
66 HB2 ARG 11 HB2 ARG 11 -6.485 7.328 -4.440
67 HB3 ARG 11 HB1 ARG 11 -4.740 7.409 -4.635
68 HG2 ARG 11 HG2 ARG 11 -4.878 5.775 -6.460
69 HG3 ARG 11 HG1 ARG 11 -6.632 5.728 -6.273
70 HD2 ARG 11 HD2 ARG 11 -6.230 7.203 -8.063
71 HD3 ARG 11 HD1 ARG 11 -6.596 8.232 -6.680
72 HE ARG 11 HE ARG 11 -3.834 7.920 -6.767
73 HH11 ARG 11 HH11 ARG 11 -6.321 9.369 -8.780
74 HH12 ARG 11 HH12 ARG 11 -5.252 10.559 -9.443
75 HH21 ARG 11 HH21 ARG 11 -2.453 9.487 -7.649
76 HH22 ARG 11 HH22 ARG 11 -3.065 10.625 -8.802
77 H CYS 12 HN CYS 12 -3.042 6.032 -3.065
78 HA CYS 12 HA CYS 12 -3.359 6.167 -0.244
79 HB2 CYS 12 HB2 CYS 12 -1.041 6.892 -2.035
80 HB3 CYS 12 HB1 CYS 12 -0.952 6.773 -0.280
81 H SER 13 HN SER 13 -2.201 8.032 0.990
82 HA SER 13 HA SER 13 -3.815 10.310 0.919
83 HB2 SER 13 HB2 SER 13 -2.476 9.444 2.907
84 HB3 SER 13 HB1 SER 13 -1.056 10.186 2.170
85 HG SER 13 HG SER 13 -1.927 12.174 2.465
86 H ASN 14 HN ASN 14 -0.466 9.941 -0.063
87 HA ASN 14 HA ASN 14 -0.751 12.041 -2.082
88 HB2 ASN 14 HB2 ASN 14 1.392 11.957 0.062
89 HB3 ASN 14 HB1 ASN 14 1.544 12.913 -1.408
90 HD21 ASN 14 HD21 ASN 14 0.233 14.718 -1.695
91 HD22 ASN 14 HD22 ASN 14 -0.615 15.452 -0.382
92 H GLY 15 HN GLY 15 1.814 12.039 -3.101
93 HA2 GLY 15 HA2 GLY 15 1.930 9.469 -4.397
94 HA3 GLY 15 HA1 GLY 15 2.999 10.836 -4.691
95 H LEU 16 HN LEU 16 2.224 8.607 -2.046
96 HA LEU 16 HA LEU 16 4.997 8.620 -1.169
97 HB2 LEU 16 HB2 LEU 16 3.977 7.243 0.776
98 HB3 LEU 16 HB1 LEU 16 3.638 8.957 0.675
99 HG LEU 16 HG LEU 16 1.513 7.797 -0.686
100 HD11 LEU 16 HD11 LEU 16 2.361 6.048 1.582
101 HD12 LEU 16 HD12 LEU 16 1.786 5.599 -0.025
102 HD13 LEU 16 HD13 LEU 16 0.662 6.242 1.169
103 HD21 LEU 16 HD21 LEU 16 1.423 9.713 0.804
104 HD22 LEU 16 HD22 LEU 16 1.676 8.650 2.189
105 HD23 LEU 16 HD23 LEU 16 0.205 8.510 1.227
106 H CYS 17 HN CYS 17 3.476 5.775 -0.194
107 HA CYS 17 HA CYS 17 4.662 4.150 -2.332
108 HB2 CYS 17 HB2 CYS 17 5.135 3.174 0.425
109 HB3 CYS 17 HB1 CYS 17 6.199 3.126 -0.976
110 H CYS 18 HN CYS 18 3.972 1.855 -2.211
111 HA CYS 18 HA CYS 18 1.518 1.387 -0.682
112 HB2 CYS 18 HB2 CYS 18 0.709 2.221 -2.801
113 HB3 CYS 18 HB1 CYS 18 1.761 1.129 -3.690
114 H SER 19 HN SER 19 1.613 -0.478 0.320
115 HA SER 19 HA SER 19 3.727 -2.325 0.037
116 HB2 SER 19 HB2 SER 19 1.107 -2.515 1.521
117 HB3 SER 19 HB1 SER 19 2.413 -3.687 1.674
118 HG SER 19 HG SER 19 3.017 -0.983 2.037
119 H GLN 20 HN GLN 20 3.563 -4.614 -0.315
120 HA GLN 20 HA GLN 20 2.866 -5.406 -2.810
121 HB2 GLN 20 HB2 GLN 20 4.203 -6.548 -0.824
122 HB3 GLN 20 HB1 GLN 20 2.722 -7.486 -0.717
123 HG2 GLN 20 HG2 GLN 20 2.968 -8.133 -3.067
124 HG3 GLN 20 HG1 GLN 20 4.465 -7.205 -3.158
125 HE21 GLN 20 HE21 GLN 20 6.302 -7.965 -2.109
126 HE22 GLN 20 HE22 GLN 20 6.439 -9.597 -1.561
127 H PHE 21 HN PHE 21 0.782 -5.587 -0.032
128 HA PHE 21 HA PHE 21 -1.262 -7.027 -1.511
129 HB2 PHE 21 HB2 PHE 21 -0.833 -6.236 1.321
130 HB3 PHE 21 HB1 PHE 21 -2.478 -6.523 0.783
131 HD1 PHE 21 HD1 PHE 21 0.758 -7.999 1.436
132 HD2 PHE 21 HD2 PHE 21 -3.207 -8.703 0.081
133 HE1 PHE 21 HE1 PHE 21 1.107 -10.430 1.713
134 HE2 PHE 21 HE2 PHE 21 -2.877 -11.137 0.354
135 HZ PHE 21 HZ PHE 21 -0.716 -11.999 1.170
136 H GLY 22 HN GLY 22 -0.443 -3.811 -0.728
137 HA2 GLY 22 HA2 GLY 22 -1.505 -2.065 -2.055
138 HA3 GLY 22 HA1 GLY 22 -3.036 -2.884 -1.774
139 H TYR 23 HN TYR 23 -0.343 -1.799 0.272
140 HA TYR 23 HA TYR 23 -2.311 -0.413 1.968
141 HB2 TYR 23 HB2 TYR 23 -0.745 -2.483 2.791
142 HB3 TYR 23 HB1 TYR 23 0.296 -1.118 3.181
143 HD1 TYR 23 HD1 TYR 23 -1.430 0.938 4.191
144 HD2 TYR 23 HD2 TYR 23 -1.758 -3.279 4.687
145 HE1 TYR 23 HE1 TYR 23 -2.733 1.287 6.248
146 HE2 TYR 23 HE2 TYR 23 -3.060 -2.938 6.745
147 HH TYR 23 HH TYR 23 -3.385 -1.204 8.456
148 H CYS 24 HN CYS 24 -2.037 1.640 2.383
149 HA CYS 24 HA CYS 24 0.109 3.044 1.026
150 HB2 CYS 24 HB2 CYS 24 -2.428 3.962 2.362
151 HB3 CYS 24 HB1 CYS 24 -1.261 5.057 1.623
152 H GLY 25 HN GLY 25 1.756 4.020 1.944
153 HA2 GLY 25 HA2 GLY 25 1.706 4.932 4.663
154 HA3 GLY 25 HA1 GLY 25 2.700 3.513 4.439
155 H SER 26 HN SER 26 3.352 6.177 5.243
156 HA SER 26 HA SER 26 5.621 6.680 3.462
157 HB2 SER 26 HB2 SER 26 5.188 9.147 3.524
158 HB3 SER 26 HB1 SER 26 3.905 8.281 2.689
159 HG SER 26 HG SER 26 2.709 8.370 4.671
160 H THR 27 HN THR 27 4.505 5.885 6.298
161 HA THR 27 HA THR 27 6.709 6.900 7.847
162 HB THR 27 HB THR 27 5.456 8.737 8.441
163 HG1 THR 27 HG1 THR 27 4.023 7.720 10.394
164 HG21 THR 27 HG21 THR 27 3.450 7.994 7.075
165 HG22 THR 27 HG22 THR 27 3.089 8.948 8.511
166 HG23 THR 27 HG23 THR 27 2.857 7.201 8.535
167 HA PRO 28 HA PRO 28 4.581 3.257 10.142
168 HB2 PRO 28 HB2 PRO 28 2.410 2.113 8.681
169 HB3 PRO 28 HB1 PRO 28 2.293 3.204 10.073
170 HG2 PRO 28 HG2 PRO 28 1.407 3.843 7.560
171 HG3 PRO 28 HG1 PRO 28 1.899 5.032 8.779
172 HD2 PRO 28 HD2 PRO 28 3.575 3.856 6.547
173 HD3 PRO 28 HD1 PRO 28 3.343 5.571 6.982
174 HA PRO 29 HA PRO 29 6.422 -0.475 8.347
175 HB2 PRO 29 HB2 PRO 29 4.660 -2.531 8.920
176 HB3 PRO 29 HB1 PRO 29 5.816 -1.847 10.078
177 HG2 PRO 29 HG2 PRO 29 2.918 -1.230 9.727
178 HG3 PRO 29 HG1 PRO 29 3.841 -1.505 11.221
179 HD2 PRO 29 HD2 PRO 29 3.252 0.959 10.475
180 HD3 PRO 29 HD1 PRO 29 4.857 0.584 11.134
181 H TYR 30 HN TYR 30 5.275 0.947 6.399
182 HA TYR 30 HA TYR 30 4.426 -1.072 4.448
183 HB2 TYR 30 HB2 TYR 30 3.170 1.664 4.405
184 HB3 TYR 30 HB1 TYR 30 2.663 0.224 3.546
185 HD1 TYR 30 HD1 TYR 30 1.835 2.354 6.152
186 HD2 TYR 30 HD2 TYR 30 2.016 -1.786 5.224
187 HE1 TYR 30 HE1 TYR 30 0.213 1.884 7.946
188 HE2 TYR 30 HE2 TYR 30 0.398 -2.273 7.013
189 HH TYR 30 HH TYR 30 -0.396 -1.247 9.101
190 H CYS 31 HN CYS 31 5.756 2.025 5.309
191 HA CYS 31 HA CYS 31 7.560 1.895 3.064
192 HB2 CYS 31 HB2 CYS 31 5.611 3.517 2.572
193 HB3 CYS 31 HB1 CYS 31 6.434 4.574 3.717
194 H GLY 32 HN GLY 32 7.514 1.511 5.989
195 HA2 GLY 32 HA2 GLY 32 10.042 2.862 6.499
196 HA3 GLY 32 HA1 GLY 32 8.735 3.114 7.655
197 H ALA 33 HN ALA 33 10.105 0.402 5.841
198 HA ALA 33 HA ALA 33 10.853 -1.657 6.371
199 HB1 ALA 33 HB1 ALA 33 10.848 -0.769 9.265
200 HB2 ALA 33 HB2 ALA 33 12.200 -0.592 8.145
201 HB3 ALA 33 HB3 ALA 33 11.644 -2.200 8.610
202 H GLY 34 HN GLY 34 9.131 -2.715 5.652
203 HA2 GLY 34 HA2 GLY 34 7.592 -4.236 7.483
204 HA3 GLY 34 HA1 GLY 34 6.612 -2.955 6.783
205 H GLN 35 HN GLN 35 6.373 -2.871 4.491
206 HA GLN 35 HA GLN 35 7.185 -5.123 2.880
207 HB2 GLN 35 HB2 GLN 35 4.710 -5.501 2.159
208 HB3 GLN 35 HB1 GLN 35 5.287 -6.258 3.633
209 HG2 GLN 35 HG2 GLN 35 4.197 -4.573 4.976
210 HG3 GLN 35 HG1 GLN 35 3.714 -3.687 3.532
211 HE21 GLN 35 HE21 GLN 35 3.151 -6.483 5.512
212 HE22 GLN 35 HE22 GLN 35 1.638 -6.932 4.810
213 H CYS 36 HN CYS 36 8.229 -2.999 2.209
214 HA CYS 36 HA CYS 36 6.596 -1.184 0.662
215 HB2 CYS 36 HB2 CYS 36 8.821 -0.143 0.100
216 HB3 CYS 36 HB1 CYS 36 8.439 -0.219 1.817
217 H GLN 37 HN GLN 37 5.903 -1.604 -1.325
218 HA GLN 37 HA GLN 37 7.495 -3.305 -3.104
219 HB2 GLN 37 HB2 GLN 37 4.981 -3.678 -2.580
220 HB3 GLN 37 HB1 GLN 37 4.710 -2.321 -3.664
221 HG2 GLN 37 HG2 GLN 37 5.924 -3.553 -5.433
222 HG3 GLN 37 HG1 GLN 37 6.033 -4.934 -4.343
223 HE21 GLN 37 HE21 GLN 37 3.908 -2.951 -6.261
224 HE22 GLN 37 HE22 GLN 37 2.571 -4.044 -6.275
225 H SER 38 HN SER 38 5.743 -0.203 -3.066
226 HA SER 38 HA SER 38 6.798 0.643 -5.600
227 HB2 SER 38 HB2 SER 38 5.160 2.109 -3.527
228 HB3 SER 38 HB1 SER 38 5.592 2.777 -5.101
229 HG SER 38 HG SER 38 3.471 1.669 -4.871
230 H GLN 39 HN GLN 39 7.181 1.770 -2.276
231 HA GLN 39 HA GLN 39 9.918 2.600 -2.835
232 HB2 GLN 39 HB2 GLN 39 7.719 4.479 -2.018
233 HB3 GLN 39 HB1 GLN 39 9.380 4.794 -1.535
234 HG2 GLN 39 HG2 GLN 39 10.043 4.747 -3.911
235 HG3 GLN 39 HG1 GLN 39 8.350 4.528 -4.350
236 HE21 GLN 39 HE21 GLN 39 6.921 6.241 -4.129
237 HE22 GLN 39 HE22 GLN 39 7.457 7.868 -3.906
238 H CYS 40 HN CYS 40 11.265 2.468 -1.109
239 HA CYS 40 HA CYS 40 10.108 1.406 1.375
240 HB2 CYS 40 HB2 CYS 40 12.913 1.150 0.269
241 HB3 CYS 40 HB1 CYS 40 12.368 0.476 1.800
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 -5.927 -2.358 1.215
2 H2 PHE 1 HT2 PHE 1 -7.519 -2.931 1.209
3 H3 PHE 1 HT3 PHE 1 -6.319 -3.775 2.053
4 HA PHE 1 HA PHE 1 -7.727 -2.526 3.548
5 HB2 PHE 1 HB2 PHE 1 -4.915 -1.428 3.334
6 HB3 PHE 1 HB1 PHE 1 -5.937 -1.329 4.763
7 HD1 PHE 1 HD1 PHE 1 -6.333 -3.270 6.144
8 HD2 PHE 1 HD2 PHE 1 -3.866 -3.511 2.684
9 HE1 PHE 1 HE1 PHE 1 -5.456 -5.432 6.927
10 HE2 PHE 1 HE2 PHE 1 -2.982 -5.673 3.463
11 HZ PHE 1 HZ PHE 1 -3.778 -6.636 5.585
12 H GLN 2 HN GLN 2 -5.785 -0.349 1.577
13 HA GLN 2 HA GLN 2 -8.006 1.519 1.294
14 HB2 GLN 2 HB2 GLN 2 -5.347 2.271 2.521
15 HB3 GLN 2 HB1 GLN 2 -6.452 3.454 1.840
16 HG2 GLN 2 HG2 GLN 2 -8.167 2.730 3.458
17 HG3 GLN 2 HG1 GLN 2 -6.991 1.628 4.171
18 HE21 GLN 2 HE21 GLN 2 -5.268 2.463 5.350
19 HE22 GLN 2 HE22 GLN 2 -5.260 4.086 5.941
20 H CYS 3 HN CYS 3 -5.040 0.157 0.271
21 HA CYS 3 HA CYS 3 -5.196 1.561 -2.308
22 HB2 CYS 3 HB2 CYS 3 -3.403 2.633 -1.116
23 HB3 CYS 3 HB1 CYS 3 -2.748 1.090 -0.591
24 H GLY 4 HN GLY 4 -3.711 0.375 -3.959
25 HA2 GLY 4 HA2 GLY 4 -3.238 -1.484 -5.202
26 HA3 GLY 4 HA1 GLY 4 -2.946 -2.301 -3.683
27 H ARG 5 HN ARG 5 -3.742 -4.204 -4.622
28 HA ARG 5 HA ARG 5 -6.475 -4.364 -5.520
29 HB2 ARG 5 HB2 ARG 5 -5.974 -6.825 -5.733
30 HB3 ARG 5 HB1 ARG 5 -4.920 -5.772 -6.662
31 HG2 ARG 5 HG2 ARG 5 -3.386 -5.962 -4.541
32 HG3 ARG 5 HG1 ARG 5 -4.312 -7.445 -4.283
33 HD2 ARG 5 HD2 ARG 5 -3.780 -8.118 -6.597
34 HD3 ARG 5 HD1 ARG 5 -2.765 -6.685 -6.746
35 HE ARG 5 HE ARG 5 -1.985 -8.219 -4.496
36 HH11 ARG 5 HH11 ARG 5 -1.755 -8.236 -8.001
37 HH12 ARG 5 HH12 ARG 5 -0.290 -9.160 -8.013
38 HH21 ARG 5 HH21 ARG 5 0.663 -9.832 -6.054
39 HH22 ARG 5 HH22 ARG 5 -0.067 -9.427 -4.538
40 H GLN 6 HN GLN 6 -4.973 -4.498 -2.475
41 HA GLN 6 HA GLN 6 -6.592 -6.418 -1.133
42 HB2 GLN 6 HB2 GLN 6 -4.376 -5.006 -0.456
43 HB3 GLN 6 HB1 GLN 6 -5.601 -4.090 0.408
44 HG2 GLN 6 HG2 GLN 6 -5.198 -7.072 0.689
45 HG3 GLN 6 HG1 GLN 6 -4.501 -5.867 1.767
46 HE21 GLN 6 HE21 GLN 6 -7.377 -7.526 0.794
47 HE22 GLN 6 HE22 GLN 6 -8.378 -6.997 2.099
48 H ALA 7 HN ALA 7 -7.085 -3.260 -2.273
49 HA ALA 7 HA ALA 7 -9.650 -2.995 -0.868
50 HB1 ALA 7 HB1 ALA 7 -8.010 -1.390 -0.037
51 HB2 ALA 7 HB2 ALA 7 -9.320 -0.579 -0.896
52 HB3 ALA 7 HB3 ALA 7 -7.756 -0.802 -1.680
53 H GLY 8 HN GLY 8 -7.807 -2.511 -3.796
54 HA2 GLY 8 HA2 GLY 8 -9.406 -3.195 -5.762
55 HA3 GLY 8 HA1 GLY 8 -10.178 -1.684 -5.306
56 H GLY 9 HN GLY 9 -8.630 0.219 -5.174
57 HA2 GLY 9 HA2 GLY 9 -6.203 0.308 -6.573
58 HA3 GLY 9 HA1 GLY 9 -7.491 0.678 -7.709
59 H ALA 10 HN ALA 10 -6.074 1.668 -4.600
60 HA ALA 10 HA ALA 10 -6.704 4.459 -5.255
61 HB1 ALA 10 HB1 ALA 10 -7.542 4.911 -3.008
62 HB2 ALA 10 HB2 ALA 10 -7.333 3.214 -2.575
63 HB3 ALA 10 HB3 ALA 10 -8.517 3.672 -3.799
64 H ARG 11 HN ARG 11 -5.702 5.870 -3.286
65 HA ARG 11 HA ARG 11 -3.058 4.845 -2.529
66 HB2 ARG 11 HB2 ARG 11 -3.587 7.376 -4.091
67 HB3 ARG 11 HB1 ARG 11 -2.109 7.133 -3.172
68 HG2 ARG 11 HG2 ARG 11 -1.573 5.179 -4.524
69 HG3 ARG 11 HG1 ARG 11 -3.072 5.384 -5.429
70 HD2 ARG 11 HD2 ARG 11 -0.961 7.524 -5.267
71 HD3 ARG 11 HD1 ARG 11 -0.954 6.275 -6.511
72 HE ARG 11 HE ARG 11 -3.473 7.568 -6.417
73 HH11 ARG 11 HH11 ARG 11 -0.183 8.103 -7.527
74 HH12 ARG 11 HH12 ARG 11 -0.661 9.212 -8.770
75 HH21 ARG 11 HH21 ARG 11 -4.074 9.021 -8.050
76 HH22 ARG 11 HH22 ARG 11 -2.862 9.731 -9.064
77 H CYS 12 HN CYS 12 -2.039 6.090 -0.779
78 HA CYS 12 HA CYS 12 -4.030 6.947 1.123
79 HB2 CYS 12 HB2 CYS 12 -1.108 6.407 1.277
80 HB3 CYS 12 HB1 CYS 12 -1.867 7.346 2.555
81 H SER 13 HN SER 13 -1.103 8.707 1.513
82 HA SER 13 HA SER 13 -2.592 11.188 1.366
83 HB2 SER 13 HB2 SER 13 -1.194 10.652 3.360
84 HB3 SER 13 HB1 SER 13 0.242 10.720 2.339
85 HG SER 13 HG SER 13 -1.085 12.732 3.512
86 H ASN 14 HN ASN 14 0.810 11.274 0.755
87 HA ASN 14 HA ASN 14 0.340 12.571 -1.824
88 HB2 ASN 14 HB2 ASN 14 2.619 12.551 0.142
89 HB3 ASN 14 HB1 ASN 14 2.835 13.162 -1.496
90 HD21 ASN 14 HD21 ASN 14 1.307 13.666 1.578
91 HD22 ASN 14 HD22 ASN 14 0.818 15.299 1.299
92 H GLY 15 HN GLY 15 2.859 12.204 -2.990
93 HA2 GLY 15 HA2 GLY 15 2.522 9.657 -4.234
94 HA3 GLY 15 HA1 GLY 15 3.815 10.806 -4.545
95 H LEU 16 HN LEU 16 2.695 8.578 -2.048
96 HA LEU 16 HA LEU 16 5.417 8.084 -1.138
97 HB2 LEU 16 HB2 LEU 16 4.057 6.628 0.592
98 HB3 LEU 16 HB1 LEU 16 4.097 8.369 0.741
99 HG LEU 16 HG LEU 16 1.865 8.184 -0.684
100 HD11 LEU 16 HD11 LEU 16 2.140 5.674 -0.811
101 HD12 LEU 16 HD12 LEU 16 0.564 6.298 -0.328
102 HD13 LEU 16 HD13 LEU 16 1.669 5.659 0.890
103 HD21 LEU 16 HD21 LEU 16 1.938 7.604 2.260
104 HD22 LEU 16 HD22 LEU 16 0.605 8.322 1.359
105 HD23 LEU 16 HD23 LEU 16 2.121 9.203 1.540
106 H CYS 17 HN CYS 17 3.861 5.338 -0.337
107 HA CYS 17 HA CYS 17 4.342 3.913 -2.844
108 HB2 CYS 17 HB2 CYS 17 5.424 2.123 -1.059
109 HB3 CYS 17 HB1 CYS 17 6.361 3.187 -2.098
110 H CYS 18 HN CYS 18 3.719 1.498 -2.526
111 HA CYS 18 HA CYS 18 1.461 1.221 -0.677
112 HB2 CYS 18 HB2 CYS 18 0.632 2.055 -2.885
113 HB3 CYS 18 HB1 CYS 18 1.238 0.577 -3.621
114 H SER 19 HN SER 19 1.377 -0.655 0.293
115 HA SER 19 HA SER 19 3.441 -2.562 0.047
116 HB2 SER 19 HB2 SER 19 0.842 -2.650 1.575
117 HB3 SER 19 HB1 SER 19 2.133 -3.836 1.744
118 HG SER 19 HG SER 19 3.452 -2.285 2.584
119 H GLN 20 HN GLN 20 3.365 -4.757 -0.316
120 HA GLN 20 HA GLN 20 2.681 -5.743 -2.688
121 HB2 GLN 20 HB2 GLN 20 2.947 -7.126 -0.057
122 HB3 GLN 20 HB1 GLN 20 2.639 -8.044 -1.524
123 HG2 GLN 20 HG2 GLN 20 4.679 -7.137 -2.517
124 HG3 GLN 20 HG1 GLN 20 4.983 -6.217 -1.045
125 HE21 GLN 20 HE21 GLN 20 4.956 -9.366 -2.509
126 HE22 GLN 20 HE22 GLN 20 5.831 -10.180 -1.261
127 H PHE 21 HN PHE 21 0.500 -5.936 0.061
128 HA PHE 21 HA PHE 21 -1.526 -7.301 -1.499
129 HB2 PHE 21 HB2 PHE 21 -1.492 -6.279 1.339
130 HB3 PHE 21 HB1 PHE 21 -2.908 -7.018 0.604
131 HD1 PHE 21 HD1 PHE 21 -2.980 -9.368 0.123
132 HD2 PHE 21 HD2 PHE 21 0.439 -7.580 1.906
133 HE1 PHE 21 HE1 PHE 21 -2.151 -11.605 0.757
134 HE2 PHE 21 HE2 PHE 21 1.283 -9.808 2.546
135 HZ PHE 21 HZ PHE 21 -0.015 -11.824 1.969
136 H GLY 22 HN GLY 22 -1.002 -4.175 -0.055
137 HA2 GLY 22 HA2 GLY 22 -1.850 -2.380 -1.709
138 HA3 GLY 22 HA1 GLY 22 -3.411 -3.096 -1.326
139 H TYR 23 HN TYR 23 -0.555 -2.260 0.613
140 HA TYR 23 HA TYR 23 -2.308 -0.601 2.303
141 HB2 TYR 23 HB2 TYR 23 -1.031 -2.831 3.180
142 HB3 TYR 23 HB1 TYR 23 0.199 -1.618 3.510
143 HD1 TYR 23 HD1 TYR 23 -1.838 -3.422 5.274
144 HD2 TYR 23 HD2 TYR 23 -1.472 0.711 4.320
145 HE1 TYR 23 HE1 TYR 23 -3.026 -2.842 7.349
146 HE2 TYR 23 HE2 TYR 23 -2.661 1.300 6.393
147 HH TYR 23 HH TYR 23 -3.232 -0.933 8.882
148 H CYS 24 HN CYS 24 -1.961 1.413 1.783
149 HA CYS 24 HA CYS 24 0.698 2.325 1.013
150 HB2 CYS 24 HB2 CYS 24 -0.551 4.460 0.456
151 HB3 CYS 24 HB1 CYS 24 -1.053 3.046 -0.459
152 H GLY 25 HN GLY 25 1.745 4.060 1.959
153 HA2 GLY 25 HA2 GLY 25 0.785 5.429 4.265
154 HA3 GLY 25 HA1 GLY 25 1.885 4.134 4.719
155 H SER 26 HN SER 26 2.984 6.161 5.560
156 HA SER 26 HA SER 26 5.142 6.848 3.736
157 HB2 SER 26 HB2 SER 26 4.887 9.343 4.276
158 HB3 SER 26 HB1 SER 26 3.703 8.683 3.152
159 HG SER 26 HG SER 26 2.228 9.285 4.504
160 H THR 27 HN THR 27 4.100 5.923 6.646
161 HA THR 27 HA THR 27 6.530 6.755 8.037
162 HB THR 27 HB THR 27 5.253 7.253 10.115
163 HG1 THR 27 HG1 THR 27 3.276 6.138 9.130
164 HG21 THR 27 HG21 THR 27 6.029 9.088 8.718
165 HG22 THR 27 HG22 THR 27 4.470 9.477 9.446
166 HG23 THR 27 HG23 THR 27 4.556 8.992 7.753
167 HA PRO 28 HA PRO 28 4.674 2.875 10.142
168 HB2 PRO 28 HB2 PRO 28 2.461 1.787 8.663
169 HB3 PRO 28 HB1 PRO 28 2.404 2.621 10.225
170 HG2 PRO 28 HG2 PRO 28 1.262 3.603 7.956
171 HG3 PRO 28 HG1 PRO 28 1.836 4.617 9.296
172 HD2 PRO 28 HD2 PRO 28 3.286 3.901 6.742
173 HD3 PRO 28 HD1 PRO 28 3.064 5.503 7.490
174 HA PRO 29 HA PRO 29 6.610 -0.500 7.904
175 HB2 PRO 29 HB2 PRO 29 4.994 -2.699 8.431
176 HB3 PRO 29 HB1 PRO 29 6.216 -2.052 9.540
177 HG2 PRO 29 HG2 PRO 29 3.272 -1.599 9.510
178 HG3 PRO 29 HG1 PRO 29 4.359 -1.887 10.886
179 HD2 PRO 29 HD2 PRO 29 3.511 0.574 10.321
180 HD3 PRO 29 HD1 PRO 29 5.177 0.290 10.864
181 H TYR 30 HN TYR 30 5.135 1.032 6.223
182 HA TYR 30 HA TYR 30 4.316 -0.851 4.127
183 HB2 TYR 30 HB2 TYR 30 2.824 1.748 4.424
184 HB3 TYR 30 HB1 TYR 30 2.357 0.308 3.536
185 HD1 TYR 30 HD1 TYR 30 2.129 -1.837 5.229
186 HD2 TYR 30 HD2 TYR 30 1.522 2.248 6.236
187 HE1 TYR 30 HE1 TYR 30 0.710 -2.529 7.115
188 HE2 TYR 30 HE2 TYR 30 0.101 1.568 8.132
189 HH TYR 30 HH TYR 30 -0.048 -1.623 9.273
190 H CYS 31 HN CYS 31 5.534 2.195 5.233
191 HA CYS 31 HA CYS 31 7.005 2.574 2.777
192 HB2 CYS 31 HB2 CYS 31 5.021 4.542 3.839
193 HB3 CYS 31 HB1 CYS 31 6.436 5.103 2.949
194 H GLY 32 HN GLY 32 8.711 1.883 4.015
195 HA2 GLY 32 HA2 GLY 32 10.585 3.567 4.893
196 HA3 GLY 32 HA1 GLY 32 9.577 3.413 6.329
197 H ALA 33 HN ALA 33 8.928 1.024 6.729
198 HA ALA 33 HA ALA 33 10.851 -0.995 6.041
199 HB1 ALA 33 HB1 ALA 33 12.097 0.161 7.825
200 HB2 ALA 33 HB2 ALA 33 11.634 -1.468 8.315
201 HB3 ALA 33 HB3 ALA 33 10.740 -0.076 8.925
202 H GLY 34 HN GLY 34 9.356 -2.417 5.447
203 HA2 GLY 34 HA2 GLY 34 7.902 -3.932 7.279
204 HA3 GLY 34 HA1 GLY 34 6.809 -2.714 6.640
205 H GLN 35 HN GLN 35 5.898 -3.001 4.715
206 HA GLN 35 HA GLN 35 6.869 -5.161 2.973
207 HB2 GLN 35 HB2 GLN 35 4.379 -5.622 2.488
208 HB3 GLN 35 HB1 GLN 35 5.067 -6.249 3.976
209 HG2 GLN 35 HG2 GLN 35 4.083 -4.313 5.183
210 HG3 GLN 35 HG1 GLN 35 3.304 -3.821 3.682
211 HE21 GLN 35 HE21 GLN 35 1.617 -5.073 2.854
212 HE22 GLN 35 HE22 GLN 35 0.774 -6.228 3.822
213 H CYS 36 HN CYS 36 7.639 -2.664 2.501
214 HA CYS 36 HA CYS 36 5.855 -1.241 0.739
215 HB2 CYS 36 HB2 CYS 36 7.505 -0.082 2.176
216 HB3 CYS 36 HB1 CYS 36 8.806 -0.818 1.249
217 H GLN 37 HN GLN 37 5.476 -1.781 -1.289
218 HA GLN 37 HA GLN 37 7.468 -3.305 -2.806
219 HB2 GLN 37 HB2 GLN 37 5.065 -4.120 -2.416
220 HB3 GLN 37 HB1 GLN 37 4.587 -2.877 -3.560
221 HG2 GLN 37 HG2 GLN 37 6.046 -3.915 -5.249
222 HG3 GLN 37 HG1 GLN 37 6.420 -5.198 -4.100
223 HE21 GLN 37 HE21 GLN 37 3.988 -3.800 -6.154
224 HE22 GLN 37 HE22 GLN 37 2.898 -5.140 -6.119
225 H SER 38 HN SER 38 5.234 -0.549 -3.127
226 HA SER 38 HA SER 38 6.222 0.212 -5.714
227 HB2 SER 38 HB2 SER 38 3.848 0.527 -4.833
228 HB3 SER 38 HB1 SER 38 4.482 1.882 -3.903
229 HG SER 38 HG SER 38 4.188 2.986 -5.656
230 H GLN 39 HN GLN 39 6.323 2.951 -5.631
231 HA GLN 39 HA GLN 39 8.970 3.556 -5.148
232 HB2 GLN 39 HB2 GLN 39 6.499 5.179 -5.555
233 HB3 GLN 39 HB1 GLN 39 8.005 5.995 -5.158
234 HG2 GLN 39 HG2 GLN 39 9.068 4.959 -7.111
235 HG3 GLN 39 HG1 GLN 39 7.543 4.170 -7.509
236 HE21 GLN 39 HE21 GLN 39 5.839 5.397 -8.309
237 HE22 GLN 39 HE22 GLN 39 6.068 6.992 -8.932
238 H CYS 40 HN CYS 40 9.850 3.197 -3.180
239 HA CYS 40 HA CYS 40 8.621 4.368 -0.797
240 HB2 CYS 40 HB2 CYS 40 10.087 1.991 -1.287
241 HB3 CYS 40 HB1 CYS 40 11.070 2.990 -0.222
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 -6.738 0.596 5.608
2 H2 PHE 1 HT2 PHE 1 -6.576 -1.087 5.602
3 H3 PHE 1 HT3 PHE 1 -7.974 -0.371 4.977
4 HA PHE 1 HA PHE 1 -5.244 -0.082 3.866
5 HB2 PHE 1 HB2 PHE 1 -7.629 -1.677 2.899
6 HB3 PHE 1 HB1 PHE 1 -6.173 -1.397 1.951
7 HD1 PHE 1 HD1 PHE 1 -7.624 -3.186 4.784
8 HD2 PHE 1 HD2 PHE 1 -4.095 -2.522 2.500
9 HE1 PHE 1 HE1 PHE 1 -6.594 -5.173 5.806
10 HE2 PHE 1 HE2 PHE 1 -3.060 -4.509 3.516
11 HZ PHE 1 HZ PHE 1 -4.309 -5.838 5.171
12 H GLN 2 HN GLN 2 -5.101 1.137 1.953
13 HA GLN 2 HA GLN 2 -7.429 2.740 1.185
14 HB2 GLN 2 HB2 GLN 2 -4.788 3.855 2.129
15 HB3 GLN 2 HB1 GLN 2 -5.901 4.789 1.141
16 HG2 GLN 2 HG2 GLN 2 -6.783 3.547 3.722
17 HG3 GLN 2 HG1 GLN 2 -5.959 5.103 3.686
18 HE21 GLN 2 HE21 GLN 2 -6.992 6.882 2.776
19 HE22 GLN 2 HE22 GLN 2 -8.694 6.904 2.478
20 H CYS 3 HN CYS 3 -4.762 0.926 0.293
21 HA CYS 3 HA CYS 3 -4.183 2.263 -2.209
22 HB2 CYS 3 HB2 CYS 3 -2.451 1.059 -0.866
23 HB3 CYS 3 HB1 CYS 3 -3.266 -0.450 -1.251
24 H GLY 4 HN GLY 4 -4.083 0.725 -4.230
25 HA2 GLY 4 HA2 GLY 4 -6.821 -0.200 -4.616
26 HA3 GLY 4 HA1 GLY 4 -5.666 0.165 -5.878
27 H ARG 5 HN ARG 5 -4.506 -1.923 -3.344
28 HA ARG 5 HA ARG 5 -4.784 -4.139 -5.240
29 HB2 ARG 5 HB2 ARG 5 -2.903 -4.198 -2.884
30 HB3 ARG 5 HB1 ARG 5 -2.877 -5.214 -4.309
31 HG2 ARG 5 HG2 ARG 5 -2.557 -2.425 -4.998
32 HG3 ARG 5 HG1 ARG 5 -1.332 -2.963 -3.846
33 HD2 ARG 5 HD2 ARG 5 -0.725 -4.802 -5.293
34 HD3 ARG 5 HD1 ARG 5 -2.013 -4.379 -6.421
35 HE ARG 5 HE ARG 5 -0.418 -2.132 -6.179
36 HH11 ARG 5 HH11 ARG 5 0.015 -5.430 -7.310
37 HH12 ARG 5 HH12 ARG 5 1.257 -5.001 -8.437
38 HH21 ARG 5 HH21 ARG 5 1.934 -2.832 -8.635
39 HH22 ARG 5 HH22 ARG 5 1.211 -1.595 -7.663
40 H GLN 6 HN GLN 6 -5.137 -3.337 -1.842
41 HA GLN 6 HA GLN 6 -6.346 -5.898 -1.199
42 HB2 GLN 6 HB2 GLN 6 -4.992 -3.982 0.283
43 HB3 GLN 6 HB1 GLN 6 -6.661 -3.775 0.788
44 HG2 GLN 6 HG2 GLN 6 -5.319 -6.472 0.760
45 HG3 GLN 6 HG1 GLN 6 -5.219 -5.384 2.143
46 HE21 GLN 6 HE21 GLN 6 -7.287 -7.429 0.243
47 HE22 GLN 6 HE22 GLN 6 -8.606 -7.479 1.357
48 H ALA 7 HN ALA 7 -7.255 -2.739 -2.167
49 HA ALA 7 HA ALA 7 -10.068 -3.086 -1.479
50 HB1 ALA 7 HB1 ALA 7 -10.311 -0.740 -2.110
51 HB2 ALA 7 HB2 ALA 7 -8.626 -0.702 -2.630
52 HB3 ALA 7 HB3 ALA 7 -9.018 -0.946 -0.928
53 H GLY 8 HN GLY 8 -7.897 -2.868 -4.211
54 HA2 GLY 8 HA2 GLY 8 -8.509 -4.218 -6.174
55 HA3 GLY 8 HA1 GLY 8 -10.136 -3.588 -5.998
56 H GLY 9 HN GLY 9 -8.749 -0.874 -5.359
57 HA2 GLY 9 HA2 GLY 9 -7.393 0.000 -7.637
58 HA3 GLY 9 HA1 GLY 9 -9.102 0.223 -7.950
59 H ALA 10 HN ALA 10 -8.238 0.607 -4.647
60 HA ALA 10 HA ALA 10 -9.014 3.335 -4.585
61 HB1 ALA 10 HB1 ALA 10 -9.355 1.792 -2.713
62 HB2 ALA 10 HB2 ALA 10 -8.465 3.230 -2.214
63 HB3 ALA 10 HB3 ALA 10 -7.611 1.708 -2.466
64 H ARG 11 HN ARG 11 -7.391 4.810 -3.044
65 HA ARG 11 HA ARG 11 -4.702 4.773 -4.204
66 HB2 ARG 11 HB2 ARG 11 -4.814 7.240 -4.660
67 HB3 ARG 11 HB1 ARG 11 -5.875 6.292 -5.687
68 HG2 ARG 11 HG2 ARG 11 -7.779 6.921 -4.241
69 HG3 ARG 11 HG1 ARG 11 -6.689 7.929 -3.290
70 HD2 ARG 11 HD2 ARG 11 -7.757 9.388 -4.805
71 HD3 ARG 11 HD1 ARG 11 -6.134 9.134 -5.444
72 HE ARG 11 HE ARG 11 -7.911 7.269 -6.593
73 HH11 ARG 11 HH11 ARG 11 -7.156 10.696 -6.743
74 HH12 ARG 11 HH12 ARG 11 -7.713 10.864 -8.374
75 HH21 ARG 11 HH21 ARG 11 -8.634 7.513 -8.728
76 HH22 ARG 11 HH22 ARG 11 -8.549 9.063 -9.496
77 H CYS 12 HN CYS 12 -3.122 5.926 -3.044
78 HA CYS 12 HA CYS 12 -3.458 5.806 -0.223
79 HB2 CYS 12 HB2 CYS 12 -1.145 6.777 -1.901
80 HB3 CYS 12 HB1 CYS 12 -1.076 6.460 -0.172
81 H SER 13 HN SER 13 -2.219 7.646 1.094
82 HA SER 13 HA SER 13 -3.952 9.845 1.270
83 HB2 SER 13 HB2 SER 13 -2.408 8.851 3.104
84 HB3 SER 13 HB1 SER 13 -1.147 9.864 2.403
85 HG SER 13 HG SER 13 -1.979 11.261 3.759
86 H ASN 14 HN ASN 14 -0.640 9.673 0.127
87 HA ASN 14 HA ASN 14 -1.082 11.910 -1.708
88 HB2 ASN 14 HB2 ASN 14 1.159 11.738 0.328
89 HB3 ASN 14 HB1 ASN 14 1.211 12.808 -1.069
90 HD21 ASN 14 HD21 ASN 14 -0.163 14.584 -1.152
91 HD22 ASN 14 HD22 ASN 14 -0.974 15.183 0.251
92 H GLY 15 HN GLY 15 1.492 12.055 -2.776
93 HA2 GLY 15 HA2 GLY 15 1.584 9.622 -4.317
94 HA3 GLY 15 HA1 GLY 15 2.632 11.021 -4.509
95 H LEU 16 HN LEU 16 1.965 8.598 -2.002
96 HA LEU 16 HA LEU 16 4.805 8.488 -1.349
97 HB2 LEU 16 HB2 LEU 16 3.882 7.076 0.635
98 HB3 LEU 16 HB1 LEU 16 3.681 8.814 0.631
99 HG LEU 16 HG LEU 16 1.328 8.057 -0.486
100 HD11 LEU 16 HD11 LEU 16 1.292 5.787 -0.308
101 HD12 LEU 16 HD12 LEU 16 0.596 6.240 1.249
102 HD13 LEU 16 HD13 LEU 16 2.288 5.772 1.146
103 HD21 LEU 16 HD21 LEU 16 2.038 8.385 2.409
104 HD22 LEU 16 HD22 LEU 16 0.389 8.356 1.792
105 HD23 LEU 16 HD23 LEU 16 1.498 9.629 1.283
106 H CYS 17 HN CYS 17 3.356 5.658 -0.291
107 HA CYS 17 HA CYS 17 4.156 4.102 -2.644
108 HB2 CYS 17 HB2 CYS 17 5.072 2.853 -0.178
109 HB3 CYS 17 HB1 CYS 17 5.969 3.182 -1.655
110 H CYS 18 HN CYS 18 3.669 1.666 -2.194
111 HA CYS 18 HA CYS 18 1.298 1.309 -0.519
112 HB2 CYS 18 HB2 CYS 18 0.320 1.833 -2.633
113 HB3 CYS 18 HB1 CYS 18 1.442 0.786 -3.490
114 H SER 19 HN SER 19 1.044 -0.711 0.323
115 HA SER 19 HA SER 19 3.339 -2.456 0.259
116 HB2 SER 19 HB2 SER 19 0.728 -2.624 1.770
117 HB3 SER 19 HB1 SER 19 2.055 -3.768 1.958
118 HG SER 19 HG SER 19 2.487 -2.322 3.487
119 H GLN 20 HN GLN 20 3.247 -4.717 -0.080
120 HA GLN 20 HA GLN 20 2.515 -5.591 -2.513
121 HB2 GLN 20 HB2 GLN 20 2.844 -7.165 0.016
122 HB3 GLN 20 HB1 GLN 20 2.623 -7.936 -1.547
123 HG2 GLN 20 HG2 GLN 20 4.648 -6.872 -2.377
124 HG3 GLN 20 HG1 GLN 20 4.862 -6.054 -0.830
125 HE21 GLN 20 HE21 GLN 20 5.029 -9.079 -2.527
126 HE22 GLN 20 HE22 GLN 20 5.909 -9.944 -1.317
127 H PHE 21 HN PHE 21 0.438 -5.761 0.295
128 HA PHE 21 HA PHE 21 -1.622 -7.205 -1.176
129 HB2 PHE 21 HB2 PHE 21 -1.303 -6.363 1.682
130 HB3 PHE 21 HB1 PHE 21 -2.866 -6.897 1.068
131 HD1 PHE 21 HD1 PHE 21 -3.230 -9.161 0.397
132 HD2 PHE 21 HD2 PHE 21 0.528 -7.869 1.897
133 HE1 PHE 21 HE1 PHE 21 -2.568 -11.520 0.742
134 HE2 PHE 21 HE2 PHE 21 1.209 -10.221 2.249
135 HZ PHE 21 HZ PHE 21 -0.344 -12.047 1.668
136 H GLY 22 HN GLY 22 -0.856 -4.014 -0.203
137 HA2 GLY 22 HA2 GLY 22 -1.990 -2.271 -1.544
138 HA3 GLY 22 HA1 GLY 22 -3.496 -3.074 -1.119
139 H TYR 23 HN TYR 23 -0.626 -2.147 0.761
140 HA TYR 23 HA TYR 23 -2.421 -0.606 2.518
141 HB2 TYR 23 HB2 TYR 23 -1.013 -2.795 3.327
142 HB3 TYR 23 HB1 TYR 23 0.135 -1.515 3.692
143 HD1 TYR 23 HD1 TYR 23 -1.755 0.672 4.520
144 HD2 TYR 23 HD2 TYR 23 -1.708 -3.486 5.436
145 HE1 TYR 23 HE1 TYR 23 -2.977 1.123 6.608
146 HE2 TYR 23 HE2 TYR 23 -2.931 -3.044 7.524
147 HH TYR 23 HH TYR 23 -3.310 -1.180 9.078
148 H CYS 24 HN CYS 24 -2.154 1.430 2.244
149 HA CYS 24 HA CYS 24 0.148 2.588 1.017
150 HB2 CYS 24 HB2 CYS 24 -2.352 3.746 2.215
151 HB3 CYS 24 HB1 CYS 24 -1.110 4.720 1.434
152 H GLY 25 HN GLY 25 1.597 4.044 1.819
153 HA2 GLY 25 HA2 GLY 25 1.610 5.118 4.404
154 HA3 GLY 25 HA1 GLY 25 2.537 3.633 4.429
155 H SER 26 HN SER 26 3.606 5.992 5.075
156 HA SER 26 HA SER 26 5.780 6.298 3.143
157 HB2 SER 26 HB2 SER 26 5.649 8.825 3.379
158 HB3 SER 26 HB1 SER 26 4.330 8.124 2.457
159 HG SER 26 HG SER 26 4.309 9.276 4.996
160 H THR 27 HN THR 27 4.774 5.567 6.055
161 HA THR 27 HA THR 27 7.161 6.393 7.451
162 HB THR 27 HB THR 27 6.125 8.283 8.203
163 HG1 THR 27 HG1 THR 27 4.592 6.865 10.029
164 HG21 THR 27 HG21 THR 27 4.010 7.649 6.830
165 HG22 THR 27 HG22 THR 27 3.848 8.789 8.164
166 HG23 THR 27 HG23 THR 27 3.364 7.108 8.381
167 HA PRO 28 HA PRO 28 4.962 2.963 9.989
168 HB2 PRO 28 HB2 PRO 28 2.601 1.954 8.699
169 HB3 PRO 28 HB1 PRO 28 2.678 3.001 10.125
170 HG2 PRO 28 HG2 PRO 28 1.596 3.792 7.755
171 HG3 PRO 28 HG1 PRO 28 2.334 4.906 8.922
172 HD2 PRO 28 HD2 PRO 28 3.623 3.626 6.502
173 HD3 PRO 28 HD1 PRO 28 3.583 5.350 6.960
174 HA PRO 29 HA PRO 29 6.357 -0.901 8.065
175 HB2 PRO 29 HB2 PRO 29 3.999 -2.465 8.970
176 HB3 PRO 29 HB1 PRO 29 5.716 -2.694 9.351
177 HG2 PRO 29 HG2 PRO 29 4.071 -1.776 11.185
178 HG3 PRO 29 HG1 PRO 29 5.704 -1.094 11.014
179 HD2 PRO 29 HD2 PRO 29 3.099 0.006 10.023
180 HD3 PRO 29 HD1 PRO 29 4.416 0.838 10.877
181 H TYR 30 HN TYR 30 5.124 0.634 6.246
182 HA TYR 30 HA TYR 30 3.969 -1.290 4.355
183 HB2 TYR 30 HB2 TYR 30 2.903 1.525 4.427
184 HB3 TYR 30 HB1 TYR 30 2.197 0.110 3.673
185 HD1 TYR 30 HD1 TYR 30 1.789 -1.831 5.655
186 HD2 TYR 30 HD2 TYR 30 1.600 2.391 6.108
187 HE1 TYR 30 HE1 TYR 30 0.317 -2.120 7.603
188 HE2 TYR 30 HE2 TYR 30 0.128 2.112 8.066
189 HH TYR 30 HH TYR 30 -0.332 -0.864 9.616
190 H CYS 31 HN CYS 31 5.555 1.726 5.096
191 HA CYS 31 HA CYS 31 7.261 1.494 2.807
192 HB2 CYS 31 HB2 CYS 31 5.327 2.882 1.978
193 HB3 CYS 31 HB1 CYS 31 5.804 4.102 3.153
194 H GLY 32 HN GLY 32 8.825 1.124 4.215
195 HA2 GLY 32 HA2 GLY 32 10.559 3.016 5.056
196 HA3 GLY 32 HA1 GLY 32 9.440 2.891 6.413
197 H ALA 33 HN ALA 33 8.829 0.399 6.694
198 HA ALA 33 HA ALA 33 10.810 -1.571 6.315
199 HB1 ALA 33 HB1 ALA 33 10.689 -0.456 9.133
200 HB2 ALA 33 HB2 ALA 33 12.050 -0.292 8.024
201 HB3 ALA 33 HB3 ALA 33 11.587 -1.886 8.621
202 H GLY 34 HN GLY 34 9.007 -2.660 5.616
203 HA2 GLY 34 HA2 GLY 34 7.712 -4.341 7.434
204 HA3 GLY 34 HA1 GLY 34 6.621 -3.010 7.076
205 H GLN 35 HN GLN 35 5.933 -2.684 4.903
206 HA GLN 35 HA GLN 35 6.318 -4.970 3.097
207 HB2 GLN 35 HB2 GLN 35 3.623 -3.717 3.702
208 HB3 GLN 35 HB1 GLN 35 3.925 -5.020 2.563
209 HG2 GLN 35 HG2 GLN 35 4.715 -6.405 4.494
210 HG3 GLN 35 HG1 GLN 35 4.159 -5.116 5.560
211 HE21 GLN 35 HE21 GLN 35 3.205 -7.641 3.370
212 HE22 GLN 35 HE22 GLN 35 1.535 -7.670 3.809
213 H CYS 36 HN CYS 36 7.836 -3.079 2.452
214 HA CYS 36 HA CYS 36 6.540 -1.001 0.882
215 HB2 CYS 36 HB2 CYS 36 8.463 -0.440 2.267
216 HB3 CYS 36 HB1 CYS 36 9.452 -1.611 1.406
217 H GLN 37 HN GLN 37 5.655 -1.812 -0.999
218 HA GLN 37 HA GLN 37 7.329 -3.477 -2.728
219 HB2 GLN 37 HB2 GLN 37 4.875 -3.996 -2.144
220 HB3 GLN 37 HB1 GLN 37 4.472 -2.696 -3.254
221 HG2 GLN 37 HG2 GLN 37 5.973 -4.004 -4.919
222 HG3 GLN 37 HG1 GLN 37 5.694 -5.358 -3.827
223 HE21 GLN 37 HE21 GLN 37 3.679 -6.294 -3.732
224 HE22 GLN 37 HE22 GLN 37 2.416 -5.926 -4.850
225 H SER 38 HN SER 38 5.340 -0.517 -2.924
226 HA SER 38 HA SER 38 6.181 0.175 -5.553
227 HB2 SER 38 HB2 SER 38 4.773 1.836 -3.453
228 HB3 SER 38 HB1 SER 38 4.959 2.293 -5.144
229 HG SER 38 HG SER 38 3.428 0.210 -4.025
230 H GLN 39 HN GLN 39 6.368 2.839 -3.380
231 HA GLN 39 HA GLN 39 9.167 3.257 -4.120
232 HB2 GLN 39 HB2 GLN 39 6.989 5.066 -3.101
233 HB3 GLN 39 HB1 GLN 39 8.672 5.573 -3.091
234 HG2 GLN 39 HG2 GLN 39 8.783 5.249 -5.512
235 HG3 GLN 39 HG1 GLN 39 7.093 4.744 -5.517
236 HE21 GLN 39 HE21 GLN 39 9.294 7.408 -5.166
237 HE22 GLN 39 HE22 GLN 39 8.118 8.665 -5.308
238 H CYS 40 HN CYS 40 10.741 3.921 -2.577
239 HA CYS 40 HA CYS 40 10.138 3.487 0.246
240 HB2 CYS 40 HB2 CYS 40 11.507 1.559 -1.364
241 HB3 CYS 40 HB1 CYS 40 12.652 2.239 -0.213
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 -5.752 -1.527 1.061
2 H2 PHE 1 HT2 PHE 1 -7.368 -2.002 0.918
3 H3 PHE 1 HT3 PHE 1 -6.292 -2.937 1.828
4 HA PHE 1 HA PHE 1 -7.735 -1.637 3.248
5 HB2 PHE 1 HB2 PHE 1 -4.866 -0.679 3.288
6 HB3 PHE 1 HB1 PHE 1 -5.989 -0.605 4.639
7 HD1 PHE 1 HD1 PHE 1 -6.508 -2.561 5.929
8 HD2 PHE 1 HD2 PHE 1 -3.897 -2.798 2.576
9 HE1 PHE 1 HE1 PHE 1 -5.765 -4.785 6.672
10 HE2 PHE 1 HE2 PHE 1 -3.146 -5.022 3.317
11 HZ PHE 1 HZ PHE 1 -4.082 -6.019 5.365
12 H GLN 2 HN GLN 2 -5.511 0.467 1.506
13 HA GLN 2 HA GLN 2 -7.593 2.488 1.150
14 HB2 GLN 2 HB2 GLN 2 -4.951 2.976 2.530
15 HB3 GLN 2 HB1 GLN 2 -5.872 4.275 1.785
16 HG2 GLN 2 HG2 GLN 2 -7.755 3.788 3.264
17 HG3 GLN 2 HG1 GLN 2 -6.829 2.488 4.012
18 HE21 GLN 2 HE21 GLN 2 -7.196 5.925 3.674
19 HE22 GLN 2 HE22 GLN 2 -6.174 6.370 4.994
20 H CYS 3 HN CYS 3 -5.069 0.680 -0.013
21 HA CYS 3 HA CYS 3 -4.295 2.533 -2.143
22 HB2 CYS 3 HB2 CYS 3 -2.524 1.344 -0.897
23 HB3 CYS 3 HB1 CYS 3 -3.212 -0.196 -1.393
24 H GLY 4 HN GLY 4 -3.996 1.432 -4.356
25 HA2 GLY 4 HA2 GLY 4 -6.448 0.698 -5.454
26 HA3 GLY 4 HA1 GLY 4 -4.894 0.464 -6.232
27 H ARG 5 HN ARG 5 -3.918 -1.332 -4.127
28 HA ARG 5 HA ARG 5 -5.357 -3.746 -4.947
29 HB2 ARG 5 HB2 ARG 5 -2.599 -3.110 -4.647
30 HB3 ARG 5 HB1 ARG 5 -2.984 -4.331 -3.442
31 HG2 ARG 5 HG2 ARG 5 -3.888 -5.775 -5.195
32 HG3 ARG 5 HG1 ARG 5 -3.487 -4.552 -6.402
33 HD2 ARG 5 HD2 ARG 5 -1.121 -4.750 -5.820
34 HD3 ARG 5 HD1 ARG 5 -1.519 -5.962 -4.602
35 HE ARG 5 HE ARG 5 -2.510 -6.761 -7.124
36 HH11 ARG 5 HH11 ARG 5 0.529 -6.486 -5.384
37 HH12 ARG 5 HH12 ARG 5 1.294 -7.749 -6.290
38 HH21 ARG 5 HH21 ARG 5 0.152 -8.836 -7.937
39 HH22 ARG 5 HH22 ARG 5 -1.488 -8.410 -8.296
40 H GLN 6 HN GLN 6 -5.560 -5.503 -3.246
41 HA GLN 6 HA GLN 6 -6.374 -6.317 -1.292
42 HB2 GLN 6 HB2 GLN 6 -4.467 -4.545 -0.380
43 HB3 GLN 6 HB1 GLN 6 -5.918 -4.004 0.447
44 HG2 GLN 6 HG2 GLN 6 -5.035 -6.880 0.449
45 HG3 GLN 6 HG1 GLN 6 -4.477 -5.714 1.645
46 HE21 GLN 6 HE21 GLN 6 -5.954 -4.875 3.145
47 HE22 GLN 6 HE22 GLN 6 -7.465 -5.649 3.464
48 H ALA 7 HN ALA 7 -7.064 -2.960 -1.995
49 HA ALA 7 HA ALA 7 -9.687 -3.012 -0.746
50 HB1 ALA 7 HB1 ALA 7 -8.264 -1.034 -0.479
51 HB2 ALA 7 HB2 ALA 7 -9.756 -0.639 -1.332
52 HB3 ALA 7 HB3 ALA 7 -8.249 -0.815 -2.229
53 H GLY 8 HN GLY 8 -8.197 -3.019 -3.896
54 HA2 GLY 8 HA2 GLY 8 -9.432 -4.206 -5.672
55 HA3 GLY 8 HA1 GLY 8 -10.856 -3.322 -5.150
56 H GLY 9 HN GLY 9 -9.501 -0.786 -4.821
57 HA2 GLY 9 HA2 GLY 9 -8.143 0.071 -7.112
58 HA3 GLY 9 HA1 GLY 9 -9.859 0.272 -7.415
59 H ALA 10 HN ALA 10 -7.888 0.771 -4.481
60 HA ALA 10 HA ALA 10 -9.109 3.416 -4.172
61 HB1 ALA 10 HB1 ALA 10 -9.239 1.864 -2.284
62 HB2 ALA 10 HB2 ALA 10 -8.317 3.308 -1.868
63 HB3 ALA 10 HB3 ALA 10 -7.479 1.796 -2.215
64 H ARG 11 HN ARG 11 -7.435 4.967 -2.880
65 HA ARG 11 HA ARG 11 -4.824 4.959 -4.219
66 HB2 ARG 11 HB2 ARG 11 -6.835 7.208 -4.305
67 HB3 ARG 11 HB1 ARG 11 -5.121 7.471 -4.587
68 HG2 ARG 11 HG2 ARG 11 -5.198 5.919 -6.481
69 HG3 ARG 11 HG1 ARG 11 -6.922 5.673 -6.201
70 HD2 ARG 11 HD2 ARG 11 -6.784 7.258 -7.937
71 HD3 ARG 11 HD1 ARG 11 -7.184 8.178 -6.487
72 HE ARG 11 HE ARG 11 -4.386 8.122 -6.830
73 HH11 ARG 11 HH11 ARG 11 -7.230 9.602 -8.266
74 HH12 ARG 11 HH12 ARG 11 -6.360 10.984 -8.842
75 HH21 ARG 11 HH21 ARG 11 -3.268 9.940 -7.595
76 HH22 ARG 11 HH22 ARG 11 -4.120 11.174 -8.463
77 H CYS 12 HN CYS 12 -3.173 5.943 -3.096
78 HA CYS 12 HA CYS 12 -3.442 6.092 -0.279
79 HB2 CYS 12 HB2 CYS 12 -1.166 6.810 -2.124
80 HB3 CYS 12 HB1 CYS 12 -1.033 6.745 -0.371
81 H SER 13 HN SER 13 -2.086 8.030 0.829
82 HA SER 13 HA SER 13 -3.793 10.236 0.933
83 HB2 SER 13 HB2 SER 13 -2.174 9.450 2.748
84 HB3 SER 13 HB1 SER 13 -0.903 10.273 1.844
85 HG SER 13 HG SER 13 -3.254 11.472 2.893
86 H ASN 14 HN ASN 14 -0.524 10.086 -0.376
87 HA ASN 14 HA ASN 14 -1.202 12.080 -2.406
88 HB2 ASN 14 HB2 ASN 14 1.089 12.293 -0.444
89 HB3 ASN 14 HB1 ASN 14 1.072 13.172 -1.970
90 HD21 ASN 14 HD21 ASN 14 -0.402 14.842 -2.267
91 HD22 ASN 14 HD22 ASN 14 -1.236 15.576 -0.944
92 H GLY 15 HN GLY 15 -0.832 9.209 -2.417
93 HA2 GLY 15 HA2 GLY 15 -0.037 7.863 -4.181
94 HA3 GLY 15 HA1 GLY 15 1.237 9.044 -4.478
95 H LEU 16 HN LEU 16 2.613 9.380 -2.407
96 HA LEU 16 HA LEU 16 4.498 8.501 -1.448
97 HB2 LEU 16 HB2 LEU 16 3.728 7.167 0.681
98 HB3 LEU 16 HB1 LEU 16 3.445 8.886 0.523
99 HG LEU 16 HG LEU 16 1.104 8.006 -0.433
100 HD11 LEU 16 HD11 LEU 16 1.311 5.705 -0.270
101 HD12 LEU 16 HD12 LEU 16 0.416 6.147 1.184
102 HD13 LEU 16 HD13 LEU 16 2.135 5.791 1.285
103 HD21 LEU 16 HD21 LEU 16 1.845 8.302 2.462
104 HD22 LEU 16 HD22 LEU 16 0.201 8.308 1.834
105 HD23 LEU 16 HD23 LEU 16 1.329 9.580 1.362
106 H CYS 17 HN CYS 17 3.121 5.639 -0.204
107 HA CYS 17 HA CYS 17 4.464 3.925 -2.166
108 HB2 CYS 17 HB2 CYS 17 4.883 3.154 0.659
109 HB3 CYS 17 HB1 CYS 17 6.010 3.099 -0.692
110 H CYS 18 HN CYS 18 3.761 1.681 -2.047
111 HA CYS 18 HA CYS 18 1.347 1.196 -0.461
112 HB2 CYS 18 HB2 CYS 18 0.473 2.008 -2.556
113 HB3 CYS 18 HB1 CYS 18 1.523 0.935 -3.473
114 H SER 19 HN SER 19 1.401 -0.686 0.503
115 HA SER 19 HA SER 19 3.536 -2.516 0.229
116 HB2 SER 19 HB2 SER 19 0.910 -2.761 1.697
117 HB3 SER 19 HB1 SER 19 2.261 -3.875 1.874
118 HG SER 19 HG SER 19 2.209 -2.209 3.485
119 H GLN 20 HN GLN 20 3.442 -4.758 -0.184
120 HA GLN 20 HA GLN 20 2.759 -5.578 -2.645
121 HB2 GLN 20 HB2 GLN 20 3.062 -7.168 -0.132
122 HB3 GLN 20 HB1 GLN 20 2.798 -7.948 -1.686
123 HG2 GLN 20 HG2 GLN 20 4.826 -6.908 -2.559
124 HG3 GLN 20 HG1 GLN 20 5.087 -6.112 -1.007
125 HE21 GLN 20 HE21 GLN 20 5.746 -7.332 0.763
126 HE22 GLN 20 HE22 GLN 20 6.401 -8.921 0.592
127 H PHE 21 HN PHE 21 0.612 -5.826 0.105
128 HA PHE 21 HA PHE 21 -1.398 -7.261 -1.409
129 HB2 PHE 21 HB2 PHE 21 -1.308 -6.207 1.408
130 HB3 PHE 21 HB1 PHE 21 -2.761 -6.917 0.716
131 HD1 PHE 21 HD1 PHE 21 -2.899 -9.262 0.242
132 HD2 PHE 21 HD2 PHE 21 0.612 -7.546 1.912
133 HE1 PHE 21 HE1 PHE 21 -2.098 -11.517 0.853
134 HE2 PHE 21 HE2 PHE 21 1.428 -9.793 2.530
135 HZ PHE 21 HZ PHE 21 0.070 -11.780 1.998
136 H GLY 22 HN GLY 22 -0.797 -4.048 -0.265
137 HA2 GLY 22 HA2 GLY 22 -1.738 -2.302 -1.816
138 HA3 GLY 22 HA1 GLY 22 -3.283 -3.087 -1.525
139 H TYR 23 HN TYR 23 -0.549 -1.996 0.467
140 HA TYR 23 HA TYR 23 -2.483 -0.588 2.191
141 HB2 TYR 23 HB2 TYR 23 -0.950 -2.634 3.042
142 HB3 TYR 23 HB1 TYR 23 0.180 -1.312 3.302
143 HD1 TYR 23 HD1 TYR 23 -1.628 -3.287 5.157
144 HD2 TYR 23 HD2 TYR 23 -1.617 0.866 4.212
145 HE1 TYR 23 HE1 TYR 23 -2.754 -2.802 7.288
146 HE2 TYR 23 HE2 TYR 23 -2.744 1.358 6.342
147 HH TYR 23 HH TYR 23 -4.162 0.205 7.986
148 H CYS 24 HN CYS 24 -2.265 1.509 2.364
149 HA CYS 24 HA CYS 24 -0.110 2.850 0.978
150 HB2 CYS 24 HB2 CYS 24 -2.662 3.771 2.266
151 HB3 CYS 24 HB1 CYS 24 -1.472 4.903 1.630
152 H GLY 25 HN GLY 25 1.524 3.941 1.820
153 HA2 GLY 25 HA2 GLY 25 1.547 4.994 4.465
154 HA3 GLY 25 HA1 GLY 25 2.483 3.518 4.362
155 H SER 26 HN SER 26 3.377 6.083 5.023
156 HA SER 26 HA SER 26 5.566 6.423 3.095
157 HB2 SER 26 HB2 SER 26 5.312 8.960 3.355
158 HB3 SER 26 HB1 SER 26 4.091 8.181 2.365
159 HG SER 26 HG SER 26 3.691 9.700 4.447
160 H THR 27 HN THR 27 4.510 5.863 6.086
161 HA THR 27 HA THR 27 6.913 6.762 7.419
162 HB THR 27 HB THR 27 5.829 8.674 8.056
163 HG1 THR 27 HG1 THR 27 4.367 7.688 10.059
164 HG21 THR 27 HG21 THR 27 3.715 7.969 6.776
165 HG22 THR 27 HG22 THR 27 3.516 9.089 8.122
166 HG23 THR 27 HG23 THR 27 3.119 7.384 8.331
167 HA PRO 28 HA PRO 28 4.754 3.361 10.039
168 HB2 PRO 28 HB2 PRO 28 2.517 2.186 8.672
169 HB3 PRO 28 HB1 PRO 28 2.468 3.274 10.069
170 HG2 PRO 28 HG2 PRO 28 1.463 3.929 7.622
171 HG3 PRO 28 HG1 PRO 28 2.062 5.116 8.797
172 HD2 PRO 28 HD2 PRO 28 3.549 3.889 6.465
173 HD3 PRO 28 HD1 PRO 28 3.394 5.608 6.909
174 HA PRO 29 HA PRO 29 6.503 -0.461 8.355
175 HB2 PRO 29 HB2 PRO 29 4.753 -2.484 9.056
176 HB3 PRO 29 HB1 PRO 29 5.933 -1.754 10.160
177 HG2 PRO 29 HG2 PRO 29 3.029 -1.150 9.844
178 HG3 PRO 29 HG1 PRO 29 3.983 -1.364 11.329
179 HD2 PRO 29 HD2 PRO 29 3.375 1.068 10.488
180 HD3 PRO 29 HD1 PRO 29 4.988 0.721 11.141
181 H TYR 30 HN TYR 30 5.228 0.920 6.409
182 HA TYR 30 HA TYR 30 4.361 -1.176 4.547
183 HB2 TYR 30 HB2 TYR 30 3.036 1.519 4.423
184 HB3 TYR 30 HB1 TYR 30 2.507 0.005 3.715
185 HD1 TYR 30 HD1 TYR 30 2.006 -1.871 5.602
186 HD2 TYR 30 HD2 TYR 30 1.778 2.334 6.168
187 HE1 TYR 30 HE1 TYR 30 0.479 -2.224 7.499
188 HE2 TYR 30 HE2 TYR 30 0.251 1.995 8.071
189 HH TYR 30 HH TYR 30 -1.310 0.292 8.902
190 H CYS 31 HN CYS 31 5.801 1.873 5.295
191 HA CYS 31 HA CYS 31 7.239 1.842 2.775
192 HB2 CYS 31 HB2 CYS 31 5.417 3.608 2.744
193 HB3 CYS 31 HB1 CYS 31 6.364 4.434 3.979
194 H GLY 32 HN GLY 32 7.308 1.880 6.042
195 HA2 GLY 32 HA2 GLY 32 10.136 2.655 5.987
196 HA3 GLY 32 HA1 GLY 32 9.070 3.152 7.297
197 H ALA 33 HN ALA 33 10.236 0.293 5.584
198 HA ALA 33 HA ALA 33 10.872 -1.783 6.204
199 HB1 ALA 33 HB1 ALA 33 11.618 -2.252 8.473
200 HB2 ALA 33 HB2 ALA 33 10.867 -0.766 9.053
201 HB3 ALA 33 HB3 ALA 33 12.235 -0.687 7.944
202 H GLY 34 HN GLY 34 9.283 -3.052 5.644
203 HA2 GLY 34 HA2 GLY 34 7.673 -4.398 7.462
204 HA3 GLY 34 HA1 GLY 34 6.700 -3.090 6.801
205 H GLN 35 HN GLN 35 6.285 -3.026 4.569
206 HA GLN 35 HA GLN 35 6.985 -5.295 2.908
207 HB2 GLN 35 HB2 GLN 35 4.454 -5.529 2.285
208 HB3 GLN 35 HB1 GLN 35 5.070 -6.352 3.707
209 HG2 GLN 35 HG2 GLN 35 4.170 -4.579 5.130
210 HG3 GLN 35 HG1 GLN 35 3.565 -3.738 3.705
211 HE21 GLN 35 HE21 GLN 35 3.167 -6.460 5.819
212 HE22 GLN 35 HE22 GLN 35 1.594 -6.922 5.270
213 H CYS 36 HN CYS 36 8.104 -3.237 2.209
214 HA CYS 36 HA CYS 36 6.509 -1.329 0.728
215 HB2 CYS 36 HB2 CYS 36 8.787 -0.379 0.153
216 HB3 CYS 36 HB1 CYS 36 8.377 -0.421 1.865
217 H GLN 37 HN GLN 37 5.774 -1.725 -1.252
218 HA GLN 37 HA GLN 37 7.320 -3.419 -3.074
219 HB2 GLN 37 HB2 GLN 37 4.835 -3.831 -2.522
220 HB3 GLN 37 HB1 GLN 37 4.514 -2.433 -3.538
221 HG2 GLN 37 HG2 GLN 37 5.716 -3.586 -5.386
222 HG3 GLN 37 HG1 GLN 37 5.817 -5.014 -4.360
223 HE21 GLN 37 HE21 GLN 37 4.008 -6.253 -4.023
224 HE22 GLN 37 HE22 GLN 37 2.536 -6.035 -4.901
225 H SER 38 HN SER 38 5.587 -0.306 -2.965
226 HA SER 38 HA SER 38 6.593 0.539 -5.526
227 HB2 SER 38 HB2 SER 38 4.946 1.984 -3.447
228 HB3 SER 38 HB1 SER 38 5.366 2.660 -5.021
229 HG SER 38 HG SER 38 3.261 1.409 -4.659
230 H GLN 39 HN GLN 39 6.937 1.799 -2.239
231 HA GLN 39 HA GLN 39 9.658 2.679 -2.869
232 HB2 GLN 39 HB2 GLN 39 7.422 4.433 -1.892
233 HB3 GLN 39 HB1 GLN 39 9.090 4.810 -1.491
234 HG2 GLN 39 HG2 GLN 39 9.622 4.854 -3.899
235 HG3 GLN 39 HG1 GLN 39 7.918 4.573 -4.252
236 HE21 GLN 39 HE21 GLN 39 10.268 6.840 -3.064
237 HE22 GLN 39 HE22 GLN 39 9.259 8.240 -3.147
238 H CYS 40 HN CYS 40 11.074 2.707 -1.153
239 HA CYS 40 HA CYS 40 10.043 1.799 1.448
240 HB2 CYS 40 HB2 CYS 40 11.332 0.106 -0.207
241 HB3 CYS 40 HB1 CYS 40 12.716 0.814 0.620
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 -7.251 -2.053 0.633
2 H2 PHE 1 HT2 PHE 1 -6.258 -2.845 1.750
3 H3 PHE 1 HT3 PHE 1 -5.651 -1.546 0.853
4 HA PHE 1 HA PHE 1 -7.819 -1.390 2.851
5 HB2 PHE 1 HB2 PHE 1 -4.952 -0.440 3.011
6 HB3 PHE 1 HB1 PHE 1 -6.189 -0.140 4.226
7 HD1 PHE 1 HD1 PHE 1 -3.965 -2.637 2.744
8 HD2 PHE 1 HD2 PHE 1 -6.916 -1.892 5.719
9 HE1 PHE 1 HE1 PHE 1 -3.370 -4.749 3.858
10 HE2 PHE 1 HE2 PHE 1 -6.325 -4.001 6.839
11 HZ PHE 1 HZ PHE 1 -4.551 -5.434 5.909
12 H GLN 2 HN GLN 2 -5.617 0.339 0.726
13 HA GLN 2 HA GLN 2 -7.642 2.378 0.222
14 HB2 GLN 2 HB2 GLN 2 -4.896 2.974 1.327
15 HB3 GLN 2 HB1 GLN 2 -5.829 4.175 0.448
16 HG2 GLN 2 HG2 GLN 2 -6.954 2.778 2.849
17 HG3 GLN 2 HG1 GLN 2 -5.918 4.195 3.007
18 HE21 GLN 2 HE21 GLN 2 -9.003 2.997 1.948
19 HE22 GLN 2 HE22 GLN 2 -9.771 4.536 1.776
20 H CYS 3 HN CYS 3 -5.091 0.411 -0.817
21 HA CYS 3 HA CYS 3 -5.290 1.426 -3.538
22 HB2 CYS 3 HB2 CYS 3 -3.420 2.707 -3.136
23 HB3 CYS 3 HB1 CYS 3 -2.862 1.676 -1.831
24 H GLY 4 HN GLY 4 -4.293 -0.041 -5.122
25 HA2 GLY 4 HA2 GLY 4 -3.652 -2.094 -5.959
26 HA3 GLY 4 HA1 GLY 4 -3.381 -2.642 -4.317
27 H ARG 5 HN ARG 5 -4.314 -4.589 -4.460
28 HA ARG 5 HA ARG 5 -7.079 -4.801 -5.386
29 HB2 ARG 5 HB2 ARG 5 -6.654 -7.289 -5.261
30 HB3 ARG 5 HB1 ARG 5 -5.676 -6.416 -6.429
31 HG2 ARG 5 HG2 ARG 5 -3.950 -6.341 -4.452
32 HG3 ARG 5 HG1 ARG 5 -4.871 -7.744 -3.895
33 HD2 ARG 5 HD2 ARG 5 -4.568 -8.763 -6.119
34 HD3 ARG 5 HD1 ARG 5 -3.557 -7.395 -6.577
35 HE ARG 5 HE ARG 5 -2.572 -8.584 -4.208
36 HH11 ARG 5 HH11 ARG 5 -2.719 -9.184 -7.665
37 HH12 ARG 5 HH12 ARG 5 -1.283 -10.152 -7.673
38 HH21 ARG 5 HH21 ARG 5 -0.139 -10.529 -5.737
39 HH22 ARG 5 HH22 ARG 5 -0.695 -9.852 -4.243
40 H GLN 6 HN GLN 6 -5.346 -4.572 -2.464
41 HA GLN 6 HA GLN 6 -6.877 -6.233 -0.750
42 HB2 GLN 6 HB2 GLN 6 -4.638 -4.744 -0.427
43 HB3 GLN 6 HB1 GLN 6 -5.812 -3.695 0.351
44 HG2 GLN 6 HG2 GLN 6 -5.355 -6.596 1.076
45 HG3 GLN 6 HG1 GLN 6 -4.649 -5.225 1.927
46 HE21 GLN 6 HE21 GLN 6 -7.509 -7.081 1.343
47 HE22 GLN 6 HE22 GLN 6 -8.479 -6.374 2.585
48 H ALA 7 HN ALA 7 -7.402 -3.177 -2.203
49 HA ALA 7 HA ALA 7 -9.823 -2.654 -0.628
50 HB1 ALA 7 HB1 ALA 7 -8.186 -0.795 -2.341
51 HB2 ALA 7 HB2 ALA 7 -8.141 -0.885 -0.581
52 HB3 ALA 7 HB3 ALA 7 -9.609 -0.347 -1.398
53 H GLY 8 HN GLY 8 -8.521 -3.144 -3.816
54 HA2 GLY 8 HA2 GLY 8 -9.992 -4.267 -5.439
55 HA3 GLY 8 HA1 GLY 8 -11.257 -3.155 -4.937
56 H GLY 9 HN GLY 9 -10.084 -0.746 -4.970
57 HA2 GLY 9 HA2 GLY 9 -8.420 -0.112 -7.136
58 HA3 GLY 9 HA1 GLY 9 -10.084 -0.031 -7.692
59 H ALA 10 HN ALA 10 -7.864 1.200 -5.222
60 HA ALA 10 HA ALA 10 -9.357 3.739 -5.229
61 HB1 ALA 10 HB1 ALA 10 -8.998 3.955 -2.820
62 HB2 ALA 10 HB2 ALA 10 -8.188 2.389 -2.792
63 HB3 ALA 10 HB3 ALA 10 -9.902 2.487 -3.194
64 H ARG 11 HN ARG 11 -7.484 4.949 -3.296
65 HA ARG 11 HA ARG 11 -4.934 4.914 -4.736
66 HB2 ARG 11 HB2 ARG 11 -4.883 7.445 -4.734
67 HB3 ARG 11 HB1 ARG 11 -6.056 6.743 -5.833
68 HG2 ARG 11 HG2 ARG 11 -7.840 7.219 -4.200
69 HG3 ARG 11 HG1 ARG 11 -6.645 7.967 -3.141
70 HD2 ARG 11 HD2 ARG 11 -7.114 8.876 -5.972
71 HD3 ARG 11 HD1 ARG 11 -8.006 9.534 -4.601
72 HE ARG 11 HE ARG 11 -5.300 9.734 -3.993
73 HH11 ARG 11 HH11 ARG 11 -7.505 11.087 -6.369
74 HH12 ARG 11 HH12 ARG 11 -6.597 12.552 -6.545
75 HH21 ARG 11 HH21 ARG 11 -4.130 11.659 -4.240
76 HH22 ARG 11 HH22 ARG 11 -4.689 12.874 -5.340
77 H CYS 12 HN CYS 12 -3.165 5.904 -3.590
78 HA CYS 12 HA CYS 12 -3.110 5.196 -0.853
79 HB2 CYS 12 HB2 CYS 12 -1.158 6.490 -2.734
80 HB3 CYS 12 HB1 CYS 12 -0.772 6.302 -1.027
81 H SER 13 HN SER 13 -1.710 6.892 0.625
82 HA SER 13 HA SER 13 -3.581 8.921 1.353
83 HB2 SER 13 HB2 SER 13 -0.937 7.992 2.456
84 HB3 SER 13 HB1 SER 13 -1.638 9.502 3.041
85 HG SER 13 HG SER 13 -3.588 7.765 3.069
86 H ASN 14 HN ASN 14 -0.195 9.104 0.396
87 HA ASN 14 HA ASN 14 -0.689 11.583 -1.081
88 HB2 ASN 14 HB2 ASN 14 1.401 11.244 1.088
89 HB3 ASN 14 HB1 ASN 14 1.461 12.534 -0.108
90 HD21 ASN 14 HD21 ASN 14 -0.075 14.180 -0.037
91 HD22 ASN 14 HD22 ASN 14 -1.035 14.474 1.368
92 H GLY 15 HN GLY 15 1.938 12.110 -1.871
93 HA2 GLY 15 HA2 GLY 15 2.366 10.028 -3.810
94 HA3 GLY 15 HA1 GLY 15 3.329 11.489 -3.617
95 H LEU 16 HN LEU 16 2.600 8.494 -1.894
96 HA LEU 16 HA LEU 16 5.405 8.304 -1.032
97 HB2 LEU 16 HB2 LEU 16 4.185 6.784 0.807
98 HB3 LEU 16 HB1 LEU 16 4.378 8.512 0.992
99 HG LEU 16 HG LEU 16 1.985 8.474 -0.240
100 HD11 LEU 16 HD11 LEU 16 2.110 5.901 1.303
101 HD12 LEU 16 HD12 LEU 16 1.795 6.102 -0.422
102 HD13 LEU 16 HD13 LEU 16 0.628 6.690 0.763
103 HD21 LEU 16 HD21 LEU 16 2.665 9.517 1.946
104 HD22 LEU 16 HD22 LEU 16 2.205 7.993 2.709
105 HD23 LEU 16 HD23 LEU 16 1.005 8.943 1.838
106 H CYS 17 HN CYS 17 3.688 5.534 -0.162
107 HA CYS 17 HA CYS 17 4.312 4.088 -2.635
108 HB2 CYS 17 HB2 CYS 17 5.541 2.347 -1.407
109 HB3 CYS 17 HB1 CYS 17 6.303 3.910 -1.142
110 H CYS 18 HN CYS 18 3.639 1.667 -2.298
111 HA CYS 18 HA CYS 18 1.193 1.402 -0.709
112 HB2 CYS 18 HB2 CYS 18 0.507 2.134 -2.970
113 HB3 CYS 18 HB1 CYS 18 1.375 0.773 -3.669
114 H SER 19 HN SER 19 1.288 -0.416 0.431
115 HA SER 19 HA SER 19 3.388 -2.293 0.184
116 HB2 SER 19 HB2 SER 19 0.842 -2.370 1.799
117 HB3 SER 19 HB1 SER 19 2.110 -3.586 1.924
118 HG SER 19 HG SER 19 3.287 -2.240 3.034
119 H GLN 20 HN GLN 20 3.268 -4.552 -0.085
120 HA GLN 20 HA GLN 20 2.587 -5.522 -2.463
121 HB2 GLN 20 HB2 GLN 20 2.673 -7.001 0.145
122 HB3 GLN 20 HB1 GLN 20 2.519 -7.824 -1.400
123 HG2 GLN 20 HG2 GLN 20 4.648 -6.897 -2.126
124 HG3 GLN 20 HG1 GLN 20 4.796 -6.020 -0.604
125 HE21 GLN 20 HE21 GLN 20 4.938 -9.123 -2.155
126 HE22 GLN 20 HE22 GLN 20 5.686 -9.970 -0.849
127 H PHE 21 HN PHE 21 0.377 -5.624 0.266
128 HA PHE 21 HA PHE 21 -1.694 -6.929 -1.289
129 HB2 PHE 21 HB2 PHE 21 -1.626 -5.899 1.546
130 HB3 PHE 21 HB1 PHE 21 -3.061 -6.606 0.817
131 HD1 PHE 21 HD1 PHE 21 0.266 -7.244 2.136
132 HD2 PHE 21 HD2 PHE 21 -3.181 -8.963 0.335
133 HE1 PHE 21 HE1 PHE 21 1.055 -9.488 2.786
134 HE2 PHE 21 HE2 PHE 21 -2.404 -11.214 0.980
135 HZ PHE 21 HZ PHE 21 -0.283 -11.476 2.208
136 H GLY 22 HN GLY 22 -1.051 -3.812 0.130
137 HA2 GLY 22 HA2 GLY 22 -1.868 -2.006 -1.542
138 HA3 GLY 22 HA1 GLY 22 -3.441 -2.664 -1.111
139 H TYR 23 HN TYR 23 -0.527 -1.932 0.793
140 HA TYR 23 HA TYR 23 -2.198 -0.177 2.475
141 HB2 TYR 23 HB2 TYR 23 -1.057 -2.471 3.366
142 HB3 TYR 23 HB1 TYR 23 0.243 -1.332 3.695
143 HD1 TYR 23 HD1 TYR 23 -1.941 -3.004 5.434
144 HD2 TYR 23 HD2 TYR 23 -1.240 1.092 4.509
145 HE1 TYR 23 HE1 TYR 23 -3.089 -2.343 7.508
146 HE2 TYR 23 HE2 TYR 23 -2.389 1.763 6.582
147 HH TYR 23 HH TYR 23 -4.054 0.845 8.145
148 H CYS 24 HN CYS 24 -1.719 1.839 2.031
149 HA CYS 24 HA CYS 24 0.962 2.576 1.182
150 HB2 CYS 24 HB2 CYS 24 -1.405 4.405 1.457
151 HB3 CYS 24 HB1 CYS 24 0.039 4.629 0.478
152 H GLY 25 HN GLY 25 2.151 4.242 2.077
153 HA2 GLY 25 HA2 GLY 25 1.461 5.595 4.468
154 HA3 GLY 25 HA1 GLY 25 2.480 4.208 4.827
155 H SER 26 HN SER 26 3.590 6.325 5.603
156 HA SER 26 HA SER 26 5.809 6.826 3.781
157 HB2 SER 26 HB2 SER 26 4.222 8.660 3.266
158 HB3 SER 26 HB1 SER 26 4.219 9.127 4.962
159 HG SER 26 HG SER 26 5.674 10.379 3.700
160 H THR 27 HN THR 27 4.787 5.825 6.601
161 HA THR 27 HA THR 27 7.151 6.616 8.077
162 HB THR 27 HB THR 27 6.098 8.308 9.139
163 HG1 THR 27 HG1 THR 27 4.619 6.243 10.424
164 HG21 THR 27 HG21 THR 27 3.293 7.309 8.998
165 HG22 THR 27 HG22 THR 27 4.057 7.806 7.489
166 HG23 THR 27 HG23 THR 27 3.917 8.949 8.824
167 HA PRO 28 HA PRO 28 5.117 2.878 10.330
168 HB2 PRO 28 HB2 PRO 28 2.789 1.905 8.933
169 HB3 PRO 28 HB1 PRO 28 2.841 2.749 10.489
170 HG2 PRO 28 HG2 PRO 28 1.678 3.799 8.270
171 HG3 PRO 28 HG1 PRO 28 2.395 4.782 9.563
172 HD2 PRO 28 HD2 PRO 28 3.662 3.923 6.957
173 HD3 PRO 28 HD1 PRO 28 3.583 5.551 7.673
174 HA PRO 29 HA PRO 29 6.652 -0.764 8.085
175 HB2 PRO 29 HB2 PRO 29 4.259 -2.416 8.731
176 HB3 PRO 29 HB1 PRO 29 5.968 -2.714 9.101
177 HG2 PRO 29 HG2 PRO 29 4.326 -2.006 11.018
178 HG3 PRO 29 HG1 PRO 29 5.958 -1.305 10.934
179 HD2 PRO 29 HD2 PRO 29 3.351 -0.104 10.078
180 HD3 PRO 29 HD1 PRO 29 4.672 0.628 11.013
181 H TYR 30 HN TYR 30 5.378 0.976 6.434
182 HA TYR 30 HA TYR 30 4.418 -0.735 4.256
183 HB2 TYR 30 HB2 TYR 30 3.157 1.973 4.661
184 HB3 TYR 30 HB1 TYR 30 2.572 0.620 3.708
185 HD1 TYR 30 HD1 TYR 30 1.895 2.491 6.508
186 HD2 TYR 30 HD2 TYR 30 2.148 -1.582 5.309
187 HE1 TYR 30 HE1 TYR 30 0.425 1.849 8.376
188 HE2 TYR 30 HE2 TYR 30 0.680 -2.233 7.171
189 HH TYR 30 HH TYR 30 0.003 -1.366 9.369
190 H CYS 31 HN CYS 31 5.819 2.195 5.496
191 HA CYS 31 HA CYS 31 7.517 2.478 3.175
192 HB2 CYS 31 HB2 CYS 31 5.329 4.261 3.632
193 HB3 CYS 31 HB1 CYS 31 6.844 5.121 3.879
194 H GLY 32 HN GLY 32 9.091 1.740 4.527
195 HA2 GLY 32 HA2 GLY 32 10.864 3.402 5.690
196 HA3 GLY 32 HA1 GLY 32 9.730 3.089 7.003
197 H ALA 33 HN ALA 33 9.092 0.659 7.060
198 HA ALA 33 HA ALA 33 10.980 -1.321 6.326
199 HB1 ALA 33 HB1 ALA 33 12.317 -0.306 8.136
200 HB2 ALA 33 HB2 ALA 33 11.817 -1.947 8.545
201 HB3 ALA 33 HB3 ALA 33 10.986 -0.568 9.263
202 H GLY 34 HN GLY 34 9.199 -2.381 5.588
203 HA2 GLY 34 HA2 GLY 34 7.826 -4.064 7.400
204 HA3 GLY 34 HA1 GLY 34 6.774 -2.749 6.902
205 H GLN 35 HN GLN 35 6.003 -2.658 4.808
206 HA GLN 35 HA GLN 35 6.636 -4.933 3.055
207 HB2 GLN 35 HB2 GLN 35 3.817 -3.945 3.565
208 HB3 GLN 35 HB1 GLN 35 4.289 -5.315 2.573
209 HG2 GLN 35 HG2 GLN 35 5.200 -6.371 4.677
210 HG3 GLN 35 HG1 GLN 35 4.407 -5.071 5.566
211 HE21 GLN 35 HE21 GLN 35 3.944 -7.922 3.628
212 HE22 GLN 35 HE22 GLN 35 2.272 -8.150 4.001
213 H CYS 36 HN CYS 36 7.869 -2.653 2.530
214 HA CYS 36 HA CYS 36 6.335 -0.886 0.842
215 HB2 CYS 36 HB2 CYS 36 8.619 0.113 0.371
216 HB3 CYS 36 HB1 CYS 36 8.106 0.121 2.054
217 H GLN 37 HN GLN 37 5.601 -1.652 -1.072
218 HA GLN 37 HA GLN 37 7.336 -3.317 -2.731
219 HB2 GLN 37 HB2 GLN 37 4.871 -3.836 -2.240
220 HB3 GLN 37 HB1 GLN 37 4.494 -2.523 -3.345
221 HG2 GLN 37 HG2 GLN 37 5.883 -3.743 -5.065
222 HG3 GLN 37 HG1 GLN 37 5.887 -5.111 -3.955
223 HE21 GLN 37 HE21 GLN 37 4.024 -6.292 -3.660
224 HE22 GLN 37 HE22 GLN 37 2.629 -6.114 -4.663
225 H SER 38 HN SER 38 5.450 -0.294 -2.977
226 HA SER 38 HA SER 38 6.419 0.360 -5.581
227 HB2 SER 38 HB2 SER 38 4.872 1.969 -3.551
228 HB3 SER 38 HB1 SER 38 5.278 2.568 -5.158
229 HG SER 38 HG SER 38 3.547 1.568 -5.779
230 H GLN 39 HN GLN 39 6.955 1.873 -2.431
231 HA GLN 39 HA GLN 39 9.688 2.551 -3.188
232 HB2 GLN 39 HB2 GLN 39 7.515 4.508 -2.915
233 HB3 GLN 39 HB1 GLN 39 8.929 4.886 -1.941
234 HG2 GLN 39 HG2 GLN 39 10.329 4.770 -3.944
235 HG3 GLN 39 HG1 GLN 39 8.903 4.399 -4.913
236 HE21 GLN 39 HE21 GLN 39 7.391 6.011 -5.316
237 HE22 GLN 39 HE22 GLN 39 7.744 7.685 -5.071
238 H CYS 40 HN CYS 40 11.088 2.866 -1.452
239 HA CYS 40 HA CYS 40 9.981 2.409 1.233
240 HB2 CYS 40 HB2 CYS 40 11.192 0.403 -0.102
241 HB3 CYS 40 HB1 CYS 40 12.602 1.154 0.637
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 -7.597 -2.461 0.873
2 H2 PHE 1 HT2 PHE 1 -6.487 -3.230 1.890
3 H3 PHE 1 HT3 PHE 1 -6.001 -1.904 0.960
4 HA PHE 1 HA PHE 1 -7.971 -1.850 3.159
5 HB2 PHE 1 HB2 PHE 1 -5.179 -0.690 3.025
6 HB3 PHE 1 HB1 PHE 1 -6.290 -0.539 4.381
7 HD1 PHE 1 HD1 PHE 1 -6.751 -2.446 5.825
8 HD2 PHE 1 HD2 PHE 1 -3.954 -2.718 2.629
9 HE1 PHE 1 HE1 PHE 1 -5.839 -4.509 6.807
10 HE2 PHE 1 HE2 PHE 1 -3.034 -4.782 3.609
11 HZ PHE 1 HZ PHE 1 -3.979 -5.681 5.697
12 H GLN 2 HN GLN 2 -5.901 0.185 1.156
13 HA GLN 2 HA GLN 2 -8.122 1.945 0.479
14 HB2 GLN 2 HB2 GLN 2 -5.691 2.852 2.021
15 HB3 GLN 2 HB1 GLN 2 -6.626 3.966 1.037
16 HG2 GLN 2 HG2 GLN 2 -8.616 3.465 2.370
17 HG3 GLN 2 HG1 GLN 2 -7.665 2.361 3.362
18 HE21 GLN 2 HE21 GLN 2 -8.295 5.680 2.557
19 HE22 GLN 2 HE22 GLN 2 -7.465 6.377 3.903
20 H CYS 3 HN CYS 3 -5.371 0.293 -0.346
21 HA CYS 3 HA CYS 3 -5.169 1.632 -2.936
22 HB2 CYS 3 HB2 CYS 3 -3.414 2.723 -1.695
23 HB3 CYS 3 HB1 CYS 3 -2.844 1.194 -1.044
24 H GLY 4 HN GLY 4 -3.911 0.331 -4.513
25 HA2 GLY 4 HA2 GLY 4 -3.356 -1.605 -5.601
26 HA3 GLY 4 HA1 GLY 4 -3.073 -2.320 -4.027
27 H ARG 5 HN ARG 5 -3.935 -4.264 -4.317
28 HA ARG 5 HA ARG 5 -6.655 -4.523 -5.355
29 HB2 ARG 5 HB2 ARG 5 -6.132 -6.978 -5.432
30 HB3 ARG 5 HB1 ARG 5 -5.104 -5.982 -6.447
31 HG2 ARG 5 HG2 ARG 5 -3.536 -6.035 -4.331
32 HG3 ARG 5 HG1 ARG 5 -4.435 -7.520 -3.998
33 HD2 ARG 5 HD2 ARG 5 -3.918 -8.281 -6.290
34 HD3 ARG 5 HD1 ARG 5 -2.923 -6.841 -6.507
35 HE ARG 5 HE ARG 5 -2.077 -8.227 -4.205
36 HH11 ARG 5 HH11 ARG 5 -1.986 -8.559 -7.700
37 HH12 ARG 5 HH12 ARG 5 -0.534 -9.503 -7.688
38 HH21 ARG 5 HH21 ARG 5 0.489 -10.014 -5.715
39 HH22 ARG 5 HH22 ARG 5 -0.176 -9.463 -4.214
40 H GLN 6 HN GLN 6 -5.037 -4.432 -2.363
41 HA GLN 6 HA GLN 6 -6.533 -6.296 -0.836
42 HB2 GLN 6 HB2 GLN 6 -4.378 -4.727 -0.334
43 HB3 GLN 6 HB1 GLN 6 -5.624 -3.826 0.513
44 HG2 GLN 6 HG2 GLN 6 -5.053 -6.759 0.955
45 HG3 GLN 6 HG1 GLN 6 -4.386 -5.458 1.937
46 HE21 GLN 6 HE21 GLN 6 -7.200 -7.317 1.159
47 HE22 GLN 6 HE22 GLN 6 -8.188 -6.764 2.464
48 H ALA 7 HN ALA 7 -7.193 -3.189 -2.093
49 HA ALA 7 HA ALA 7 -9.675 -2.918 -0.546
50 HB1 ALA 7 HB1 ALA 7 -8.060 -0.810 -1.961
51 HB2 ALA 7 HB2 ALA 7 -8.077 -1.100 -0.222
52 HB3 ALA 7 HB3 ALA 7 -9.536 -0.534 -1.037
53 H GLY 8 HN GLY 8 -8.216 -2.949 -3.707
54 HA2 GLY 8 HA2 GLY 8 -9.760 -4.027 -5.409
55 HA3 GLY 8 HA1 GLY 8 -10.866 -2.728 -4.986
56 H GLY 9 HN GLY 9 -9.687 -0.485 -5.074
57 HA2 GLY 9 HA2 GLY 9 -7.613 -0.013 -6.902
58 HA3 GLY 9 HA1 GLY 9 -9.132 0.054 -7.781
59 H ALA 10 HN ALA 10 -7.250 1.500 -5.182
60 HA ALA 10 HA ALA 10 -8.754 4.004 -5.545
61 HB1 ALA 10 HB1 ALA 10 -9.547 2.917 -3.496
62 HB2 ALA 10 HB2 ALA 10 -8.694 4.419 -3.138
63 HB3 ALA 10 HB3 ALA 10 -7.895 2.868 -2.879
64 H ARG 11 HN ARG 11 -7.204 5.483 -3.610
65 HA ARG 11 HA ARG 11 -4.450 5.319 -4.609
66 HB2 ARG 11 HB2 ARG 11 -6.238 7.745 -4.780
67 HB3 ARG 11 HB1 ARG 11 -4.485 7.864 -4.832
68 HG2 ARG 11 HG2 ARG 11 -4.445 6.454 -6.828
69 HG3 ARG 11 HG1 ARG 11 -6.203 6.329 -6.775
70 HD2 ARG 11 HD2 ARG 11 -5.737 8.002 -8.365
71 HD3 ARG 11 HD1 ARG 11 -6.247 8.860 -6.912
72 HE ARG 11 HE ARG 11 -3.461 8.638 -6.859
73 HH11 ARG 11 HH11 ARG 11 -5.913 10.292 -8.754
74 HH12 ARG 11 HH12 ARG 11 -4.864 11.606 -9.175
75 HH21 ARG 11 HH21 ARG 11 -2.107 10.367 -7.423
76 HH22 ARG 11 HH22 ARG 11 -2.712 11.646 -8.421
77 H CYS 12 HN CYS 12 -2.881 6.270 -3.280
78 HA CYS 12 HA CYS 12 -3.500 6.211 -0.488
79 HB2 CYS 12 HB2 CYS 12 -0.999 6.585 -2.100
80 HB3 CYS 12 HB1 CYS 12 -0.991 6.766 -0.350
81 H SER 13 HN SER 13 -1.806 8.010 0.708
82 HA SER 13 HA SER 13 -3.349 10.248 1.126
83 HB2 SER 13 HB2 SER 13 -1.508 9.379 2.634
84 HB3 SER 13 HB1 SER 13 -0.356 10.192 1.571
85 HG SER 13 HG SER 13 -1.092 11.406 3.463
86 H ASN 14 HN ASN 14 -0.153 10.576 -0.368
87 HA ASN 14 HA ASN 14 -1.256 12.422 -2.351
88 HB2 ASN 14 HB2 ASN 14 -0.301 13.594 -0.208
89 HB3 ASN 14 HB1 ASN 14 1.265 13.207 -0.913
90 HD21 ASN 14 HD21 ASN 14 -1.641 15.081 -1.229
91 HD22 ASN 14 HD22 ASN 14 -1.053 16.169 -2.434
92 H GLY 15 HN GLY 15 -0.183 9.689 -2.406
93 HA2 GLY 15 HA2 GLY 15 0.863 8.571 -4.172
94 HA3 GLY 15 HA1 GLY 15 1.653 10.074 -4.628
95 H LEU 16 HN LEU 16 1.595 8.369 -1.520
96 HA LEU 16 HA LEU 16 4.451 8.645 -1.251
97 HB2 LEU 16 HB2 LEU 16 3.843 7.183 0.912
98 HB3 LEU 16 HB1 LEU 16 3.663 8.921 0.847
99 HG LEU 16 HG LEU 16 1.197 8.420 0.192
100 HD11 LEU 16 HD11 LEU 16 0.383 6.312 1.286
101 HD12 LEU 16 HD12 LEU 16 2.057 5.764 1.284
102 HD13 LEU 16 HD13 LEU 16 1.240 6.105 -0.242
103 HD21 LEU 16 HD21 LEU 16 2.080 7.736 2.978
104 HD22 LEU 16 HD22 LEU 16 0.538 8.411 2.477
105 HD23 LEU 16 HD23 LEU 16 2.004 9.379 2.340
106 H CYS 17 HN CYS 17 3.076 5.720 -0.052
107 HA CYS 17 HA CYS 17 4.377 4.089 -2.106
108 HB2 CYS 17 HB2 CYS 17 4.774 3.152 0.670
109 HB3 CYS 17 HB1 CYS 17 5.889 3.117 -0.690
110 H CYS 18 HN CYS 18 3.667 1.802 -2.000
111 HA CYS 18 HA CYS 18 1.181 1.370 -0.514
112 HB2 CYS 18 HB2 CYS 18 0.594 2.258 -2.767
113 HB3 CYS 18 HB1 CYS 18 1.423 0.889 -3.497
114 H SER 19 HN SER 19 1.430 -0.406 0.614
115 HA SER 19 HA SER 19 3.473 -2.290 0.320
116 HB2 SER 19 HB2 SER 19 0.847 -2.607 1.777
117 HB3 SER 19 HB1 SER 19 2.291 -3.581 2.028
118 HG SER 19 HG SER 19 1.874 -1.698 3.487
119 H GLN 20 HN GLN 20 3.399 -4.518 -0.088
120 HA GLN 20 HA GLN 20 2.720 -5.364 -2.535
121 HB2 GLN 20 HB2 GLN 20 3.049 -6.917 -0.005
122 HB3 GLN 20 HB1 GLN 20 2.755 -7.730 -1.534
123 HG2 GLN 20 HG2 GLN 20 4.764 -6.702 -2.468
124 HG3 GLN 20 HG1 GLN 20 5.058 -5.886 -0.933
125 HE21 GLN 20 HE21 GLN 20 5.748 -7.083 0.840
126 HE22 GLN 20 HE22 GLN 20 6.398 -8.675 0.676
127 H PHE 21 HN PHE 21 0.566 -5.612 0.212
128 HA PHE 21 HA PHE 21 -1.438 -7.069 -1.287
129 HB2 PHE 21 HB2 PHE 21 -1.414 -5.922 1.502
130 HB3 PHE 21 HB1 PHE 21 -2.810 -6.738 0.810
131 HD1 PHE 21 HD1 PHE 21 -2.852 -9.094 0.516
132 HD2 PHE 21 HD2 PHE 21 0.606 -7.142 2.029
133 HE1 PHE 21 HE1 PHE 21 -1.948 -11.274 1.241
134 HE2 PHE 21 HE2 PHE 21 1.525 -9.314 2.761
135 HZ PHE 21 HZ PHE 21 0.244 -11.383 2.364
136 H GLY 22 HN GLY 22 -0.943 -3.861 -0.032
137 HA2 GLY 22 HA2 GLY 22 -1.838 -2.123 -1.670
138 HA3 GLY 22 HA1 GLY 22 -3.382 -2.909 -1.364
139 H TYR 23 HN TYR 23 -0.639 -1.726 0.555
140 HA TYR 23 HA TYR 23 -2.566 -0.367 2.328
141 HB2 TYR 23 HB2 TYR 23 -0.999 -2.350 3.171
142 HB3 TYR 23 HB1 TYR 23 0.184 -1.054 3.287
143 HD1 TYR 23 HD1 TYR 23 -0.912 1.172 4.474
144 HD2 TYR 23 HD2 TYR 23 -2.077 -2.868 5.128
145 HE1 TYR 23 HE1 TYR 23 -1.832 1.799 6.668
146 HE2 TYR 23 HE2 TYR 23 -3.004 -2.251 7.322
147 HH TYR 23 HH TYR 23 -3.505 0.966 8.269
148 H CYS 24 HN CYS 24 -2.255 1.733 2.798
149 HA CYS 24 HA CYS 24 -0.256 3.153 1.224
150 HB2 CYS 24 HB2 CYS 24 -2.732 4.026 2.695
151 HB3 CYS 24 HB1 CYS 24 -1.588 5.177 2.005
152 H GLY 25 HN GLY 25 1.448 4.154 2.006
153 HA2 GLY 25 HA2 GLY 25 1.647 5.222 4.620
154 HA3 GLY 25 HA1 GLY 25 2.468 3.675 4.538
155 H SER 26 HN SER 26 3.711 6.019 5.157
156 HA SER 26 HA SER 26 5.750 6.231 3.053
157 HB2 SER 26 HB2 SER 26 4.075 8.150 2.815
158 HB3 SER 26 HB1 SER 26 4.649 8.720 4.373
159 HG SER 26 HG SER 26 5.998 9.734 3.065
160 H THR 27 HN THR 27 4.838 5.830 6.206
161 HA THR 27 HA THR 27 7.455 6.560 7.294
162 HB THR 27 HB THR 27 6.675 7.939 8.961
163 HG1 THR 27 HG1 THR 27 4.220 6.495 8.827
164 HG21 THR 27 HG21 THR 27 4.858 9.409 8.203
165 HG22 THR 27 HG22 THR 27 4.403 8.223 6.981
166 HG23 THR 27 HG23 THR 27 5.963 9.038 6.877
167 HA PRO 28 HA PRO 28 5.467 3.232 10.154
168 HB2 PRO 28 HB2 PRO 28 3.006 2.205 9.061
169 HB3 PRO 28 HB1 PRO 28 3.210 3.235 10.486
170 HG2 PRO 28 HG2 PRO 28 1.926 4.043 8.230
171 HG3 PRO 28 HG1 PRO 28 2.759 5.148 9.344
172 HD2 PRO 28 HD2 PRO 28 3.806 3.938 6.781
173 HD3 PRO 28 HD1 PRO 28 3.851 5.637 7.316
174 HA PRO 29 HA PRO 29 6.690 -0.740 8.386
175 HB2 PRO 29 HB2 PRO 29 4.271 -2.135 9.435
176 HB3 PRO 29 HB1 PRO 29 5.986 -2.475 9.732
177 HG2 PRO 29 HG2 PRO 29 4.521 -1.383 11.617
178 HG3 PRO 29 HG1 PRO 29 6.181 -0.817 11.327
179 HD2 PRO 29 HD2 PRO 29 3.595 0.433 10.478
180 HD3 PRO 29 HD1 PRO 29 5.039 1.197 11.174
181 H TYR 30 HN TYR 30 5.264 0.824 6.618
182 HA TYR 30 HA TYR 30 4.223 -1.173 4.732
183 HB2 TYR 30 HB2 TYR 30 2.965 1.551 4.776
184 HB3 TYR 30 HB1 TYR 30 2.321 0.050 4.139
185 HD1 TYR 30 HD1 TYR 30 1.853 -1.789 6.026
186 HD2 TYR 30 HD2 TYR 30 2.019 2.408 6.693
187 HE1 TYR 30 HE1 TYR 30 0.510 -2.072 8.068
188 HE2 TYR 30 HE2 TYR 30 0.678 2.136 8.740
189 HH TYR 30 HH TYR 30 0.100 -0.880 10.179
190 H CYS 31 HN CYS 31 5.908 1.692 5.551
191 HA CYS 31 HA CYS 31 7.347 1.700 3.081
192 HB2 CYS 31 HB2 CYS 31 5.383 3.239 2.676
193 HB3 CYS 31 HB1 CYS 31 6.061 4.283 3.919
194 H GLY 32 HN GLY 32 9.043 1.103 4.339
195 HA2 GLY 32 HA2 GLY 32 10.936 2.831 5.145
196 HA3 GLY 32 HA1 GLY 32 9.921 2.713 6.580
197 H ALA 33 HN ALA 33 9.207 0.265 6.867
198 HA ALA 33 HA ALA 33 11.139 -1.747 6.275
199 HB1 ALA 33 HB1 ALA 33 12.372 -0.602 8.082
200 HB2 ALA 33 HB2 ALA 33 11.878 -2.224 8.567
201 HB3 ALA 33 HB3 ALA 33 10.991 -0.819 9.158
202 H GLY 34 HN GLY 34 9.534 -3.002 5.577
203 HA2 GLY 34 HA2 GLY 34 8.072 -4.586 7.362
204 HA3 GLY 34 HA1 GLY 34 7.010 -3.314 6.776
205 H GLN 35 HN GLN 35 6.495 -3.204 4.581
206 HA GLN 35 HA GLN 35 7.320 -5.355 2.812
207 HB2 GLN 35 HB2 GLN 35 4.803 -5.749 2.249
208 HB3 GLN 35 HB1 GLN 35 5.505 -6.555 3.640
209 HG2 GLN 35 HG2 GLN 35 4.547 -4.787 5.091
210 HG3 GLN 35 HG1 GLN 35 3.764 -4.095 3.673
211 HE21 GLN 35 HE21 GLN 35 2.042 -5.192 2.722
212 HE22 GLN 35 HE22 GLN 35 1.195 -6.456 3.539
213 H CYS 36 HN CYS 36 8.230 -3.056 2.283
214 HA CYS 36 HA CYS 36 6.482 -1.283 0.844
215 HB2 CYS 36 HB2 CYS 36 9.496 -1.359 0.747
216 HB3 CYS 36 HB1 CYS 36 8.452 -0.000 0.351
217 H GLN 37 HN GLN 37 5.751 -1.540 -1.162
218 HA GLN 37 HA GLN 37 7.219 -3.244 -3.040
219 HB2 GLN 37 HB2 GLN 37 4.724 -3.577 -2.477
220 HB3 GLN 37 HB1 GLN 37 4.445 -2.139 -3.449
221 HG2 GLN 37 HG2 GLN 37 5.537 -3.265 -5.356
222 HG3 GLN 37 HG1 GLN 37 5.680 -4.721 -4.374
223 HE21 GLN 37 HE21 GLN 37 3.880 -5.961 -3.979
224 HE22 GLN 37 HE22 GLN 37 2.377 -5.727 -4.798
225 H SER 38 HN SER 38 5.634 -0.062 -2.827
226 HA SER 38 HA SER 38 6.771 0.796 -5.349
227 HB2 SER 38 HB2 SER 38 4.939 2.190 -3.395
228 HB3 SER 38 HB1 SER 38 5.491 2.906 -4.908
229 HG SER 38 HG SER 38 3.815 1.929 -5.718
230 H GLN 39 HN GLN 39 6.846 1.950 -2.011
231 HA GLN 39 HA GLN 39 9.609 2.834 -2.341
232 HB2 GLN 39 HB2 GLN 39 7.310 4.656 -1.660
233 HB3 GLN 39 HB1 GLN 39 8.945 5.023 -1.132
234 HG2 GLN 39 HG2 GLN 39 9.692 5.025 -3.461
235 HG3 GLN 39 HG1 GLN 39 8.048 4.663 -3.984
236 HE21 GLN 39 HE21 GLN 39 10.176 7.069 -2.663
237 HE22 GLN 39 HE22 GLN 39 9.132 8.423 -2.914
238 H CYS 40 HN CYS 40 10.715 3.227 -0.334
239 HA CYS 40 HA CYS 40 9.352 2.214 2.065
240 HB2 CYS 40 HB2 CYS 40 11.140 0.676 0.702
241 HB3 CYS 40 HB1 CYS 40 12.207 1.501 1.833
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 -6.210 -2.380 5.733
2 H2 PHE 1 HT2 PHE 1 -7.786 -2.218 5.143
3 H3 PHE 1 HT3 PHE 1 -6.935 -0.853 5.665
4 HA PHE 1 HA PHE 1 -5.349 -1.098 3.886
5 HB2 PHE 1 HB2 PHE 1 -7.088 -3.455 3.130
6 HB3 PHE 1 HB1 PHE 1 -5.867 -2.751 2.079
7 HD1 PHE 1 HD1 PHE 1 -6.403 -4.586 5.231
8 HD2 PHE 1 HD2 PHE 1 -3.572 -3.256 2.345
9 HE1 PHE 1 HE1 PHE 1 -4.702 -6.057 6.231
10 HE2 PHE 1 HE2 PHE 1 -1.865 -4.723 3.342
11 HZ PHE 1 HZ PHE 1 -2.430 -6.127 5.285
12 H GLN 2 HN GLN 2 -5.666 0.059 1.995
13 HA GLN 2 HA GLN 2 -8.405 0.661 1.149
14 HB2 GLN 2 HB2 GLN 2 -6.392 2.775 1.940
15 HB3 GLN 2 HB1 GLN 2 -7.904 3.105 1.113
16 HG2 GLN 2 HG2 GLN 2 -7.843 1.724 3.773
17 HG3 GLN 2 HG1 GLN 2 -7.791 3.480 3.640
18 HE21 GLN 2 HE21 GLN 2 -9.600 4.585 2.880
19 HE22 GLN 2 HE22 GLN 2 -11.163 3.853 2.814
20 H CYS 3 HN CYS 3 -4.992 0.764 0.583
21 HA CYS 3 HA CYS 3 -5.241 1.662 -2.176
22 HB2 CYS 3 HB2 CYS 3 -3.511 2.692 -0.908
23 HB3 CYS 3 HB1 CYS 3 -2.921 1.149 -0.315
24 H GLY 4 HN GLY 4 -3.742 0.538 -3.776
25 HA2 GLY 4 HA2 GLY 4 -3.179 -1.243 -5.079
26 HA3 GLY 4 HA1 GLY 4 -2.917 -2.122 -3.593
27 H ARG 5 HN ARG 5 -3.575 -3.959 -4.772
28 HA ARG 5 HA ARG 5 -6.226 -4.223 -5.807
29 HB2 ARG 5 HB2 ARG 5 -5.623 -6.628 -6.077
30 HB3 ARG 5 HB1 ARG 5 -4.458 -5.530 -6.802
31 HG2 ARG 5 HG2 ARG 5 -3.297 -5.818 -4.429
32 HG3 ARG 5 HG1 ARG 5 -4.164 -7.357 -4.495
33 HD2 ARG 5 HD2 ARG 5 -3.191 -7.745 -6.734
34 HD3 ARG 5 HD1 ARG 5 -2.247 -6.270 -6.542
35 HE ARG 5 HE ARG 5 -1.783 -7.987 -4.352
36 HH11 ARG 5 HH11 ARG 5 -0.999 -7.728 -7.766
37 HH12 ARG 5 HH12 ARG 5 0.476 -8.621 -7.613
38 HH21 ARG 5 HH21 ARG 5 1.126 -9.427 -5.582
39 HH22 ARG 5 HH22 ARG 5 0.152 -9.154 -4.175
40 H GLN 6 HN GLN 6 -4.984 -4.343 -2.650
41 HA GLN 6 HA GLN 6 -6.533 -6.366 -1.428
42 HB2 GLN 6 HB2 GLN 6 -4.665 -4.490 -0.588
43 HB3 GLN 6 HB1 GLN 6 -6.139 -4.000 0.233
44 HG2 GLN 6 HG2 GLN 6 -4.987 -6.788 0.336
45 HG3 GLN 6 HG1 GLN 6 -4.700 -5.548 1.556
46 HE21 GLN 6 HE21 GLN 6 -7.020 -7.731 0.161
47 HE22 GLN 6 HE22 GLN 6 -8.190 -7.625 1.427
48 H ALA 7 HN ALA 7 -7.265 -3.296 -2.687
49 HA ALA 7 HA ALA 7 -10.023 -3.366 -1.695
50 HB1 ALA 7 HB1 ALA 7 -8.278 -0.942 -2.043
51 HB2 ALA 7 HB2 ALA 7 -8.745 -1.661 -0.502
52 HB3 ALA 7 HB3 ALA 7 -9.968 -0.931 -1.544
53 H GLY 8 HN GLY 8 -7.767 -2.331 -4.164
54 HA2 GLY 8 HA2 GLY 8 -8.879 -3.061 -6.456
55 HA3 GLY 8 HA1 GLY 8 -9.883 -1.672 -6.061
56 H GLY 9 HN GLY 9 -8.473 0.299 -5.347
57 HA2 GLY 9 HA2 GLY 9 -5.887 0.694 -6.358
58 HA3 GLY 9 HA1 GLY 9 -7.029 1.179 -7.601
59 H ALA 10 HN ALA 10 -5.718 1.912 -4.440
60 HA ALA 10 HA ALA 10 -6.691 4.661 -4.683
61 HB1 ALA 10 HB1 ALA 10 -7.147 3.027 -2.183
62 HB2 ALA 10 HB2 ALA 10 -8.392 3.517 -3.331
63 HB3 ALA 10 HB3 ALA 10 -7.530 4.735 -2.393
64 H ARG 11 HN ARG 11 -5.753 6.021 -2.769
65 HA ARG 11 HA ARG 11 -3.081 5.127 -1.949
66 HB2 ARG 11 HB2 ARG 11 -3.695 7.650 -3.491
67 HB3 ARG 11 HB1 ARG 11 -2.233 7.467 -2.535
68 HG2 ARG 11 HG2 ARG 11 -1.545 5.581 -3.899
69 HG3 ARG 11 HG1 ARG 11 -3.040 5.687 -4.828
70 HD2 ARG 11 HD2 ARG 11 -1.087 7.967 -4.624
71 HD3 ARG 11 HD1 ARG 11 -0.968 6.725 -5.869
72 HE ARG 11 HE ARG 11 -3.568 7.906 -5.768
73 HH11 ARG 11 HH11 ARG 11 -0.325 8.421 -7.015
74 HH12 ARG 11 HH12 ARG 11 -0.861 9.443 -8.308
75 HH21 ARG 11 HH21 ARG 11 -4.247 9.244 -7.466
76 HH22 ARG 11 HH22 ARG 11 -3.080 9.908 -8.561
77 H CYS 12 HN CYS 12 -2.218 6.294 -0.103
78 HA CYS 12 HA CYS 12 -4.330 7.162 1.671
79 HB2 CYS 12 HB2 CYS 12 -1.418 6.633 2.089
80 HB3 CYS 12 HB1 CYS 12 -2.378 7.424 3.329
81 H SER 13 HN SER 13 -1.165 8.737 1.373
82 HA SER 13 HA SER 13 -2.434 11.286 1.901
83 HB2 SER 13 HB2 SER 13 -0.384 10.636 3.155
84 HB3 SER 13 HB1 SER 13 0.522 10.665 1.643
85 HG SER 13 HG SER 13 -0.215 12.920 1.482
86 H ASN 14 HN ASN 14 0.429 11.446 -0.031
87 HA ASN 14 HA ASN 14 -1.112 11.948 -2.470
88 HB2 ASN 14 HB2 ASN 14 -0.673 14.079 -1.059
89 HB3 ASN 14 HB1 ASN 14 0.989 13.923 -1.617
90 HD21 ASN 14 HD21 ASN 14 1.457 14.238 -3.797
91 HD22 ASN 14 HD22 ASN 14 0.352 15.020 -4.870
92 H GLY 15 HN GLY 15 -0.226 10.064 -3.318
93 HA2 GLY 15 HA2 GLY 15 1.260 8.786 -4.515
94 HA3 GLY 15 HA1 GLY 15 2.064 10.298 -4.893
95 H LEU 16 HN LEU 16 1.700 8.332 -1.933
96 HA LEU 16 HA LEU 16 4.521 8.752 -1.340
97 HB2 LEU 16 HB2 LEU 16 3.694 7.296 0.773
98 HB3 LEU 16 HB1 LEU 16 3.542 9.035 0.684
99 HG LEU 16 HG LEU 16 1.183 8.787 0.020
100 HD11 LEU 16 HD11 LEU 16 0.018 6.776 -0.075
101 HD12 LEU 16 HD12 LEU 16 1.348 5.871 0.648
102 HD13 LEU 16 HD13 LEU 16 1.490 6.482 -1.000
103 HD21 LEU 16 HD21 LEU 16 0.342 8.119 2.170
104 HD22 LEU 16 HD22 LEU 16 1.837 9.027 2.372
105 HD23 LEU 16 HD23 LEU 16 1.846 7.271 2.522
106 H CYS 17 HN CYS 17 3.117 5.885 -0.118
107 HA CYS 17 HA CYS 17 4.427 4.136 -2.067
108 HB2 CYS 17 HB2 CYS 17 4.931 3.346 0.723
109 HB3 CYS 17 HB1 CYS 17 6.017 3.309 -0.656
110 H CYS 18 HN CYS 18 3.784 1.821 -1.717
111 HA CYS 18 HA CYS 18 1.448 1.412 -0.041
112 HB2 CYS 18 HB2 CYS 18 0.598 2.326 -2.193
113 HB3 CYS 18 HB1 CYS 18 1.295 0.940 -3.021
114 H SER 19 HN SER 19 1.220 -0.590 0.702
115 HA SER 19 HA SER 19 3.404 -2.399 0.489
116 HB2 SER 19 HB2 SER 19 0.713 -2.731 1.825
117 HB3 SER 19 HB1 SER 19 2.096 -3.802 2.046
118 HG SER 19 HG SER 19 2.919 -1.318 2.464
119 H GLN 20 HN GLN 20 3.284 -4.656 0.024
120 HA GLN 20 HA GLN 20 2.696 -5.337 -2.528
121 HB2 GLN 20 HB2 GLN 20 2.932 -7.061 -0.091
122 HB3 GLN 20 HB1 GLN 20 2.718 -7.753 -1.692
123 HG2 GLN 20 HG2 GLN 20 4.770 -6.678 -2.444
124 HG3 GLN 20 HG1 GLN 20 4.981 -5.952 -0.851
125 HE21 GLN 20 HE21 GLN 20 5.587 -7.251 0.882
126 HE22 GLN 20 HE22 GLN 20 6.252 -8.830 0.659
127 H PHE 21 HN PHE 21 0.513 -5.668 0.170
128 HA PHE 21 HA PHE 21 -1.509 -7.045 -1.370
129 HB2 PHE 21 HB2 PHE 21 -1.451 -5.932 1.429
130 HB3 PHE 21 HB1 PHE 21 -2.884 -6.667 0.730
131 HD1 PHE 21 HD1 PHE 21 0.458 -7.234 2.018
132 HD2 PHE 21 HD2 PHE 21 -3.002 -9.022 0.317
133 HE1 PHE 21 HE1 PHE 21 1.275 -9.459 2.720
134 HE2 PHE 21 HE2 PHE 21 -2.201 -11.255 1.012
135 HZ PHE 21 HZ PHE 21 -0.059 -11.471 2.215
136 H GLY 22 HN GLY 22 -0.921 -3.867 -0.088
137 HA2 GLY 22 HA2 GLY 22 -1.739 -2.098 -1.723
138 HA3 GLY 22 HA1 GLY 22 -3.314 -2.825 -1.433
139 H TYR 23 HN TYR 23 -0.570 -1.862 0.604
140 HA TYR 23 HA TYR 23 -2.466 -0.278 2.209
141 HB2 TYR 23 HB2 TYR 23 -1.171 -2.415 3.190
142 HB3 TYR 23 HB1 TYR 23 0.073 -1.202 3.464
143 HD1 TYR 23 HD1 TYR 23 -2.318 -2.894 5.121
144 HD2 TYR 23 HD2 TYR 23 -1.224 1.150 4.368
145 HE1 TYR 23 HE1 TYR 23 -3.486 -2.200 7.173
146 HE2 TYR 23 HE2 TYR 23 -2.390 1.855 6.419
147 HH TYR 23 HH TYR 23 -4.187 1.042 7.887
148 H CYS 24 HN CYS 24 -2.221 1.741 1.614
149 HA CYS 24 HA CYS 24 0.252 2.819 0.657
150 HB2 CYS 24 HB2 CYS 24 -1.129 5.004 0.742
151 HB3 CYS 24 HB1 CYS 24 -1.628 3.749 -0.376
152 H GLY 25 HN GLY 25 1.737 3.998 1.624
153 HA2 GLY 25 HA2 GLY 25 1.322 5.360 4.117
154 HA3 GLY 25 HA1 GLY 25 2.297 3.909 4.287
155 H SER 26 HN SER 26 3.530 6.046 5.042
156 HA SER 26 HA SER 26 5.601 6.497 3.035
157 HB2 SER 26 HB2 SER 26 3.902 8.359 2.781
158 HB3 SER 26 HB1 SER 26 4.316 8.867 4.413
159 HG SER 26 HG SER 26 5.812 9.016 2.061
160 H THR 27 HN THR 27 4.730 5.710 6.072
161 HA THR 27 HA THR 27 7.342 6.214 7.184
162 HB THR 27 HB THR 27 6.637 8.243 7.983
163 HG1 THR 27 HG1 THR 27 5.425 6.822 10.086
164 HG21 THR 27 HG21 THR 27 4.449 8.954 8.451
165 HG22 THR 27 HG22 THR 27 3.866 7.309 8.690
166 HG23 THR 27 HG23 THR 27 4.267 7.874 7.068
167 HA PRO 28 HA PRO 28 4.958 3.089 10.003
168 HB2 PRO 28 HB2 PRO 28 2.603 2.129 8.601
169 HB3 PRO 28 HB1 PRO 28 2.674 3.034 10.122
170 HG2 PRO 28 HG2 PRO 28 1.597 4.055 7.869
171 HG3 PRO 28 HG1 PRO 28 2.397 5.053 9.100
172 HD2 PRO 28 HD2 PRO 28 3.554 3.975 6.528
173 HD3 PRO 28 HD1 PRO 28 3.614 5.636 7.170
174 HA PRO 29 HA PRO 29 6.367 -0.830 8.169
175 HB2 PRO 29 HB2 PRO 29 4.422 -2.724 8.711
176 HB3 PRO 29 HB1 PRO 29 5.643 -2.180 9.876
177 HG2 PRO 29 HG2 PRO 29 2.812 -1.293 9.566
178 HG3 PRO 29 HG1 PRO 29 3.719 -1.681 11.044
179 HD2 PRO 29 HD2 PRO 29 3.342 0.840 10.351
180 HD3 PRO 29 HD1 PRO 29 4.908 0.315 10.997
181 H TYR 30 HN TYR 30 5.132 0.835 6.374
182 HA TYR 30 HA TYR 30 4.223 -1.021 4.299
183 HB2 TYR 30 HB2 TYR 30 2.960 1.709 4.481
184 HB3 TYR 30 HB1 TYR 30 2.389 0.290 3.619
185 HD1 TYR 30 HD1 TYR 30 1.818 2.334 6.382
186 HD2 TYR 30 HD2 TYR 30 1.795 -1.764 5.244
187 HE1 TYR 30 HE1 TYR 30 0.322 1.819 8.269
188 HE2 TYR 30 HE2 TYR 30 0.301 -2.291 7.127
189 HH TYR 30 HH TYR 30 -1.311 0.100 8.912
190 H CYS 31 HN CYS 31 5.742 1.890 5.388
191 HA CYS 31 HA CYS 31 7.373 2.010 3.010
192 HB2 CYS 31 HB2 CYS 31 5.404 3.625 2.719
193 HB3 CYS 31 HB1 CYS 31 6.169 4.574 3.988
194 H GLY 32 HN GLY 32 8.945 1.226 4.370
195 HA2 GLY 32 HA2 GLY 32 10.853 2.869 5.350
196 HA3 GLY 32 HA1 GLY 32 9.770 2.677 6.727
197 H ALA 33 HN ALA 33 9.155 0.397 7.218
198 HA ALA 33 HA ALA 33 10.950 -1.713 6.440
199 HB1 ALA 33 HB1 ALA 33 10.984 -0.784 9.325
200 HB2 ALA 33 HB2 ALA 33 12.309 -0.604 8.175
201 HB3 ALA 33 HB3 ALA 33 11.798 -2.212 8.686
202 H GLY 34 HN GLY 34 9.044 -2.620 5.733
203 HA2 GLY 34 HA2 GLY 34 7.711 -4.313 7.564
204 HA3 GLY 34 HA1 GLY 34 6.678 -2.951 7.154
205 H GLN 35 HN GLN 35 6.098 -2.622 4.942
206 HA GLN 35 HA GLN 35 6.469 -4.923 3.162
207 HB2 GLN 35 HB2 GLN 35 3.769 -3.689 3.797
208 HB3 GLN 35 HB1 GLN 35 4.061 -4.932 2.591
209 HG2 GLN 35 HG2 GLN 35 4.774 -5.406 5.457
210 HG3 GLN 35 HG1 GLN 35 3.112 -5.592 4.904
211 HE21 GLN 35 HE21 GLN 35 6.353 -6.828 4.729
212 HE22 GLN 35 HE22 GLN 35 5.960 -8.333 3.977
213 H CYS 36 HN CYS 36 7.988 -3.019 2.500
214 HA CYS 36 HA CYS 36 6.668 -0.942 0.960
215 HB2 CYS 36 HB2 CYS 36 8.989 -0.179 0.476
216 HB3 CYS 36 HB1 CYS 36 8.631 -0.303 2.193
217 H GLN 37 HN GLN 37 5.765 -1.572 -0.918
218 HA GLN 37 HA GLN 37 7.204 -3.384 -2.700
219 HB2 GLN 37 HB2 GLN 37 4.672 -3.491 -2.082
220 HB3 GLN 37 HB1 GLN 37 4.504 -2.201 -3.264
221 HG2 GLN 37 HG2 GLN 37 5.522 -3.657 -4.965
222 HG3 GLN 37 HG1 GLN 37 5.613 -4.954 -3.778
223 HE21 GLN 37 HE21 GLN 37 4.298 -6.343 -4.890
224 HE22 GLN 37 HE22 GLN 37 2.603 -6.084 -5.102
225 H SER 38 HN SER 38 5.666 -0.163 -2.803
226 HA SER 38 HA SER 38 6.829 0.451 -5.373
227 HB2 SER 38 HB2 SER 38 5.092 2.079 -3.515
228 HB3 SER 38 HB1 SER 38 5.640 2.638 -5.096
229 HG SER 38 HG SER 38 4.513 0.918 -6.037
230 H GLN 39 HN GLN 39 7.060 1.813 -2.124
231 HA GLN 39 HA GLN 39 9.794 2.690 -2.700
232 HB2 GLN 39 HB2 GLN 39 7.518 4.432 -1.821
233 HB3 GLN 39 HB1 GLN 39 9.154 4.814 -1.306
234 HG2 GLN 39 HG2 GLN 39 9.856 4.919 -3.650
235 HG3 GLN 39 HG1 GLN 39 8.203 4.557 -4.150
236 HE21 GLN 39 HE21 GLN 39 10.332 6.932 -2.772
237 HE22 GLN 39 HE22 GLN 39 9.269 8.283 -2.941
238 H CYS 40 HN CYS 40 11.194 2.519 -1.029
239 HA CYS 40 HA CYS 40 10.108 1.566 1.540
240 HB2 CYS 40 HB2 CYS 40 11.608 0.064 -0.102
241 HB3 CYS 40 HB1 CYS 40 12.897 0.873 0.784
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 -5.864 -1.548 5.649
2 H2 PHE 1 HT2 PHE 1 -7.456 -1.196 5.199
3 H3 PHE 1 HT3 PHE 1 -6.350 0.060 5.446
4 HA PHE 1 HA PHE 1 -5.043 -0.653 3.571
5 HB2 PHE 1 HB2 PHE 1 -7.166 -2.793 3.389
6 HB3 PHE 1 HB1 PHE 1 -6.088 -2.397 2.057
7 HD1 PHE 1 HD1 PHE 1 -6.314 -3.852 5.412
8 HD2 PHE 1 HD2 PHE 1 -3.781 -3.042 2.091
9 HE1 PHE 1 HE1 PHE 1 -4.633 -5.401 6.324
10 HE2 PHE 1 HE2 PHE 1 -2.094 -4.587 2.998
11 HZ PHE 1 HZ PHE 1 -2.519 -5.771 5.115
12 H GLN 2 HN GLN 2 -5.339 0.485 1.729
13 HA GLN 2 HA GLN 2 -8.038 1.323 0.958
14 HB2 GLN 2 HB2 GLN 2 -5.770 3.235 1.535
15 HB3 GLN 2 HB1 GLN 2 -7.255 3.688 0.714
16 HG2 GLN 2 HG2 GLN 2 -8.514 3.005 2.745
17 HG3 GLN 2 HG1 GLN 2 -6.970 2.729 3.551
18 HE21 GLN 2 HE21 GLN 2 -9.153 5.108 2.268
19 HE22 GLN 2 HE22 GLN 2 -8.415 6.482 3.010
20 H CYS 3 HN CYS 3 -4.654 1.075 0.224
21 HA CYS 3 HA CYS 3 -5.034 1.697 -2.605
22 HB2 CYS 3 HB2 CYS 3 -3.193 2.795 -1.517
23 HB3 CYS 3 HB1 CYS 3 -2.590 1.275 -0.872
24 H GLY 4 HN GLY 4 -3.606 0.316 -4.115
25 HA2 GLY 4 HA2 GLY 4 -3.147 -1.643 -5.184
26 HA3 GLY 4 HA1 GLY 4 -2.937 -2.355 -3.603
27 H ARG 5 HN ARG 5 -3.712 -4.246 -4.695
28 HA ARG 5 HA ARG 5 -6.441 -4.410 -5.562
29 HB2 ARG 5 HB2 ARG 5 -5.957 -6.858 -5.783
30 HB3 ARG 5 HB1 ARG 5 -4.835 -5.826 -6.657
31 HG2 ARG 5 HG2 ARG 5 -3.469 -6.076 -4.381
32 HG3 ARG 5 HG1 ARG 5 -4.373 -7.593 -4.334
33 HD2 ARG 5 HD2 ARG 5 -3.607 -8.056 -6.639
34 HD3 ARG 5 HD1 ARG 5 -2.620 -6.597 -6.567
35 HE ARG 5 HE ARG 5 -2.009 -8.286 -4.385
36 HH11 ARG 5 HH11 ARG 5 -1.490 -8.071 -7.852
37 HH12 ARG 5 HH12 ARG 5 -0.018 -8.981 -7.804
38 HH21 ARG 5 HH21 ARG 5 0.779 -9.775 -5.821
39 HH22 ARG 5 HH22 ARG 5 -0.080 -9.476 -4.347
40 H GLN 6 HN GLN 6 -4.960 -4.511 -2.503
41 HA GLN 6 HA GLN 6 -6.535 -6.420 -1.127
42 HB2 GLN 6 HB2 GLN 6 -4.449 -4.753 -0.456
43 HB3 GLN 6 HB1 GLN 6 -5.792 -4.039 0.424
44 HG2 GLN 6 HG2 GLN 6 -4.946 -6.935 0.613
45 HG3 GLN 6 HG1 GLN 6 -4.516 -5.677 1.769
46 HE21 GLN 6 HE21 GLN 6 -7.050 -7.711 0.544
47 HE22 GLN 6 HE22 GLN 6 -8.176 -7.436 1.826
48 H ALA 7 HN ALA 7 -7.169 -3.350 -2.406
49 HA ALA 7 HA ALA 7 -9.807 -3.182 -1.132
50 HB1 ALA 7 HB1 ALA 7 -9.582 -0.753 -1.144
51 HB2 ALA 7 HB2 ALA 7 -7.962 -0.908 -1.824
52 HB3 ALA 7 HB3 ALA 7 -8.298 -1.505 -0.199
53 H GLY 8 HN GLY 8 -7.786 -2.506 -3.907
54 HA2 GLY 8 HA2 GLY 8 -9.201 -3.276 -6.000
55 HA3 GLY 8 HA1 GLY 8 -10.066 -1.801 -5.591
56 H GLY 9 HN GLY 9 -8.616 0.163 -5.327
57 HA2 GLY 9 HA2 GLY 9 -6.089 0.361 -6.526
58 HA3 GLY 9 HA1 GLY 9 -7.294 0.692 -7.758
59 H ALA 10 HN ALA 10 -6.058 1.736 -4.605
60 HA ALA 10 HA ALA 10 -6.805 4.494 -5.262
61 HB1 ALA 10 HB1 ALA 10 -8.648 3.621 -3.894
62 HB2 ALA 10 HB2 ALA 10 -7.763 4.894 -3.053
63 HB3 ALA 10 HB3 ALA 10 -7.502 3.204 -2.619
64 H ARG 11 HN ARG 11 -5.975 5.899 -3.170
65 HA ARG 11 HA ARG 11 -3.308 4.987 -2.350
66 HB2 ARG 11 HB2 ARG 11 -3.915 7.552 -3.826
67 HB3 ARG 11 HB1 ARG 11 -2.462 7.347 -2.859
68 HG2 ARG 11 HG2 ARG 11 -1.801 5.451 -4.269
69 HG3 ARG 11 HG1 ARG 11 -3.248 5.690 -5.251
70 HD2 ARG 11 HD2 ARG 11 -1.191 7.846 -4.828
71 HD3 ARG 11 HD1 ARG 11 -1.087 6.679 -6.144
72 HE ARG 11 HE ARG 11 -3.631 7.882 -6.169
73 HH11 ARG 11 HH11 ARG 11 -0.288 8.708 -6.864
74 HH12 ARG 11 HH12 ARG 11 -0.710 9.924 -8.023
75 HH21 ARG 11 HH21 ARG 11 -4.159 9.478 -7.690
76 HH22 ARG 11 HH22 ARG 11 -2.900 10.359 -8.489
77 H CYS 12 HN CYS 12 -2.439 6.164 -0.496
78 HA CYS 12 HA CYS 12 -4.555 6.896 1.337
79 HB2 CYS 12 HB2 CYS 12 -1.596 6.532 1.664
80 HB3 CYS 12 HB1 CYS 12 -2.581 7.198 2.958
81 H SER 13 HN SER 13 -1.697 8.661 1.997
82 HA SER 13 HA SER 13 -3.098 11.133 2.072
83 HB2 SER 13 HB2 SER 13 -1.290 10.519 3.682
84 HB3 SER 13 HB1 SER 13 -0.119 10.656 2.372
85 HG SER 13 HG SER 13 -0.068 12.621 3.265
86 H ASN 14 HN ASN 14 -0.159 10.317 0.300
87 HA ASN 14 HA ASN 14 -1.111 11.762 -2.063
88 HB2 ASN 14 HB2 ASN 14 1.478 12.311 -0.594
89 HB3 ASN 14 HB1 ASN 14 1.216 12.794 -2.266
90 HD21 ASN 14 HD21 ASN 14 0.340 13.332 1.050
91 HD22 ASN 14 HD22 ASN 14 -0.469 14.838 0.805
92 H GLY 15 HN GLY 15 1.216 11.535 -3.603
93 HA2 GLY 15 HA2 GLY 15 1.154 8.739 -4.274
94 HA3 GLY 15 HA1 GLY 15 2.096 9.987 -5.082
95 H LEU 16 HN LEU 16 1.943 8.432 -1.905
96 HA LEU 16 HA LEU 16 4.791 8.686 -1.497
97 HB2 LEU 16 HB2 LEU 16 3.978 7.275 0.659
98 HB3 LEU 16 HB1 LEU 16 3.884 9.019 0.547
99 HG LEU 16 HG LEU 16 1.481 8.736 -0.202
100 HD11 LEU 16 HD11 LEU 16 0.320 6.709 0.207
101 HD12 LEU 16 HD12 LEU 16 1.770 5.943 0.855
102 HD13 LEU 16 HD13 LEU 16 1.677 6.348 -0.859
103 HD21 LEU 16 HD21 LEU 16 2.157 9.379 2.076
104 HD22 LEU 16 HD22 LEU 16 2.126 7.674 2.530
105 HD23 LEU 16 HD23 LEU 16 0.642 8.480 2.025
106 H CYS 17 HN CYS 17 3.347 5.852 -0.223
107 HA CYS 17 HA CYS 17 4.649 4.093 -2.173
108 HB2 CYS 17 HB2 CYS 17 5.017 3.273 0.634
109 HB3 CYS 17 HB1 CYS 17 6.164 3.230 -0.699
110 H CYS 18 HN CYS 18 3.844 1.886 -2.083
111 HA CYS 18 HA CYS 18 1.445 1.471 -0.475
112 HB2 CYS 18 HB2 CYS 18 0.651 2.413 -2.581
113 HB3 CYS 18 HB1 CYS 18 1.503 1.166 -3.479
114 H SER 19 HN SER 19 1.362 -0.418 0.426
115 HA SER 19 HA SER 19 3.451 -2.305 0.204
116 HB2 SER 19 HB2 SER 19 0.787 -2.422 1.616
117 HB3 SER 19 HB1 SER 19 2.035 -3.651 1.779
118 HG SER 19 HG SER 19 2.609 -2.355 3.364
119 H GLN 20 HN GLN 20 3.361 -4.515 -0.256
120 HA GLN 20 HA GLN 20 2.675 -5.293 -2.747
121 HB2 GLN 20 HB2 GLN 20 3.031 -6.934 -0.269
122 HB3 GLN 20 HB1 GLN 20 2.779 -7.677 -1.842
123 HG2 GLN 20 HG2 GLN 20 4.784 -6.576 -2.690
124 HG3 GLN 20 HG1 GLN 20 5.032 -5.814 -1.120
125 HE21 GLN 20 HE21 GLN 20 5.719 -7.063 0.618
126 HE22 GLN 20 HE22 GLN 20 6.406 -8.633 0.407
127 H PHE 21 HN PHE 21 0.608 -5.634 0.047
128 HA PHE 21 HA PHE 21 -1.442 -7.059 -1.407
129 HB2 PHE 21 HB2 PHE 21 -1.293 -5.933 1.381
130 HB3 PHE 21 HB1 PHE 21 -2.748 -6.683 0.742
131 HD1 PHE 21 HD1 PHE 21 0.671 -7.223 1.852
132 HD2 PHE 21 HD2 PHE 21 -2.881 -9.032 0.384
133 HE1 PHE 21 HE1 PHE 21 1.534 -9.440 2.525
134 HE2 PHE 21 HE2 PHE 21 -2.036 -11.258 1.050
135 HZ PHE 21 HZ PHE 21 0.176 -11.458 2.122
136 H GLY 22 HN GLY 22 -0.917 -3.872 -0.106
137 HA2 GLY 22 HA2 GLY 22 -1.826 -2.138 -1.761
138 HA3 GLY 22 HA1 GLY 22 -3.370 -2.886 -1.373
139 H TYR 23 HN TYR 23 -0.552 -1.949 0.576
140 HA TYR 23 HA TYR 23 -2.366 -0.264 2.171
141 HB2 TYR 23 HB2 TYR 23 -1.109 -2.437 3.177
142 HB3 TYR 23 HB1 TYR 23 0.125 -1.216 3.472
143 HD1 TYR 23 HD1 TYR 23 -2.193 -2.906 5.158
144 HD2 TYR 23 HD2 TYR 23 -1.322 1.157 4.237
145 HE1 TYR 23 HE1 TYR 23 -3.428 -2.191 7.163
146 HE2 TYR 23 HE2 TYR 23 -2.555 1.883 6.241
147 HH TYR 23 HH TYR 23 -3.512 -0.265 8.687
148 H CYS 24 HN CYS 24 -2.054 1.705 1.510
149 HA CYS 24 HA CYS 24 0.499 2.671 0.604
150 HB2 CYS 24 HB2 CYS 24 -0.918 4.873 0.480
151 HB3 CYS 24 HB1 CYS 24 -1.221 3.574 -0.661
152 H GLY 25 HN GLY 25 1.899 3.959 1.565
153 HA2 GLY 25 HA2 GLY 25 1.306 5.475 3.930
154 HA3 GLY 25 HA1 GLY 25 2.284 4.054 4.259
155 H SER 26 HN SER 26 3.529 6.119 4.986
156 HA SER 26 HA SER 26 5.651 6.561 3.023
157 HB2 SER 26 HB2 SER 26 5.645 9.049 3.524
158 HB3 SER 26 HB1 SER 26 4.266 8.498 2.581
159 HG SER 26 HG SER 26 3.267 9.606 4.102
160 H THR 27 HN THR 27 4.626 5.917 6.112
161 HA THR 27 HA THR 27 7.259 6.319 7.251
162 HB THR 27 HB THR 27 6.500 8.397 7.936
163 HG1 THR 27 HG1 THR 27 5.513 6.939 10.143
164 HG21 THR 27 HG21 THR 27 4.124 8.019 7.177
165 HG22 THR 27 HG22 THR 27 4.302 9.002 8.629
166 HG23 THR 27 HG23 THR 27 3.806 7.316 8.764
167 HA PRO 28 HA PRO 28 4.749 3.281 10.052
168 HB2 PRO 28 HB2 PRO 28 2.453 2.290 8.578
169 HB3 PRO 28 HB1 PRO 28 2.462 3.234 10.077
170 HG2 PRO 28 HG2 PRO 28 1.483 4.199 7.755
171 HG3 PRO 28 HG1 PRO 28 2.236 5.228 8.992
172 HD2 PRO 28 HD2 PRO 28 3.495 4.076 6.502
173 HD3 PRO 28 HD1 PRO 28 3.531 5.753 7.097
174 HA PRO 29 HA PRO 29 6.242 -0.645 8.349
175 HB2 PRO 29 HB2 PRO 29 4.327 -2.565 8.893
176 HB3 PRO 29 HB1 PRO 29 5.491 -1.951 10.082
177 HG2 PRO 29 HG2 PRO 29 2.653 -1.146 9.642
178 HG3 PRO 29 HG1 PRO 29 3.512 -1.467 11.164
179 HD2 PRO 29 HD2 PRO 29 3.101 1.024 10.368
180 HD3 PRO 29 HD1 PRO 29 4.645 0.557 11.108
181 H TYR 30 HN TYR 30 5.050 0.942 6.465
182 HA TYR 30 HA TYR 30 4.201 -0.988 4.429
183 HB2 TYR 30 HB2 TYR 30 2.933 1.745 4.460
184 HB3 TYR 30 HB1 TYR 30 2.381 0.284 3.655
185 HD1 TYR 30 HD1 TYR 30 1.771 -1.688 5.389
186 HD2 TYR 30 HD2 TYR 30 1.715 2.473 6.272
187 HE1 TYR 30 HE1 TYR 30 0.229 -2.117 7.258
188 HE2 TYR 30 HE2 TYR 30 0.172 2.054 8.146
189 HH TYR 30 HH TYR 30 -1.459 0.358 8.847
190 H CYS 31 HN CYS 31 5.701 1.943 5.460
191 HA CYS 31 HA CYS 31 7.391 1.982 3.130
192 HB2 CYS 31 HB2 CYS 31 5.437 3.598 2.715
193 HB3 CYS 31 HB1 CYS 31 6.181 4.598 3.958
194 H GLY 32 HN GLY 32 8.911 1.244 4.533
195 HA2 GLY 32 HA2 GLY 32 10.801 2.889 5.546
196 HA3 GLY 32 HA1 GLY 32 9.677 2.716 6.894
197 H ALA 33 HN ALA 33 8.908 0.319 7.084
198 HA ALA 33 HA ALA 33 10.759 -1.757 6.464
199 HB1 ALA 33 HB1 ALA 33 10.612 -0.913 9.373
200 HB2 ALA 33 HB2 ALA 33 12.016 -0.723 8.321
201 HB3 ALA 33 HB3 ALA 33 11.445 -2.337 8.746
202 H GLY 34 HN GLY 34 9.074 -2.869 5.686
203 HA2 GLY 34 HA2 GLY 34 7.486 -4.397 7.459
204 HA3 GLY 34 HA1 GLY 34 6.520 -3.108 6.755
205 H GLN 35 HN GLN 35 6.043 -3.120 4.587
206 HA GLN 35 HA GLN 35 6.952 -5.326 2.921
207 HB2 GLN 35 HB2 GLN 35 4.451 -5.674 2.233
208 HB3 GLN 35 HB1 GLN 35 5.072 -6.471 3.667
209 HG2 GLN 35 HG2 GLN 35 4.095 -4.629 5.033
210 HG3 GLN 35 HG1 GLN 35 3.361 -3.992 3.564
211 HE21 GLN 35 HE21 GLN 35 1.682 -5.146 2.580
212 HE22 GLN 35 HE22 GLN 35 0.800 -6.368 3.422
213 H CYS 36 HN CYS 36 7.926 -3.050 2.418
214 HA CYS 36 HA CYS 36 6.322 -1.279 0.822
215 HB2 CYS 36 HB2 CYS 36 8.607 -0.264 0.293
216 HB3 CYS 36 HB1 CYS 36 8.095 -0.255 1.978
217 H GLN 37 HN GLN 37 5.740 -1.555 -1.222
218 HA GLN 37 HA GLN 37 7.315 -3.304 -2.968
219 HB2 GLN 37 HB2 GLN 37 4.778 -3.589 -2.561
220 HB3 GLN 37 HB1 GLN 37 4.592 -2.182 -3.597
221 HG2 GLN 37 HG2 GLN 37 5.861 -3.414 -5.358
222 HG3 GLN 37 HG1 GLN 37 5.787 -4.841 -4.325
223 HE21 GLN 37 HE21 GLN 37 3.855 -5.923 -4.078
224 HE22 GLN 37 HE22 GLN 37 2.476 -5.619 -5.074
225 H SER 38 HN SER 38 5.709 -0.116 -2.967
226 HA SER 38 HA SER 38 6.977 0.682 -5.430
227 HB2 SER 38 HB2 SER 38 4.627 1.353 -4.772
228 HB3 SER 38 HB1 SER 38 5.353 2.420 -3.572
229 HG SER 38 HG SER 38 4.886 3.478 -5.570
230 H GLN 39 HN GLN 39 6.984 1.987 -2.144
231 HA GLN 39 HA GLN 39 9.803 2.713 -2.421
232 HB2 GLN 39 HB2 GLN 39 7.559 4.625 -1.836
233 HB3 GLN 39 HB1 GLN 39 9.175 4.930 -1.216
234 HG2 GLN 39 HG2 GLN 39 10.042 4.845 -3.521
235 HG3 GLN 39 HG1 GLN 39 8.393 4.629 -4.107
236 HE21 GLN 39 HE21 GLN 39 6.958 6.352 -4.030
237 HE22 GLN 39 HE22 GLN 39 7.483 7.979 -3.787
238 H CYS 40 HN CYS 40 10.947 2.842 -0.487
239 HA CYS 40 HA CYS 40 9.513 1.858 1.892
240 HB2 CYS 40 HB2 CYS 40 11.399 0.454 0.514
241 HB3 CYS 40 HB1 CYS 40 12.397 1.268 1.714
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 -6.597 -0.336 5.550
2 H2 PHE 1 HT2 PHE 1 -6.065 -1.934 5.705
3 H3 PHE 1 HT3 PHE 1 -7.670 -1.615 5.281
4 HA PHE 1 HA PHE 1 -5.291 -0.963 3.644
5 HB2 PHE 1 HB2 PHE 1 -7.341 -3.168 3.460
6 HB3 PHE 1 HB1 PHE 1 -6.341 -2.692 2.092
7 HD1 PHE 1 HD1 PHE 1 -3.995 -3.207 2.026
8 HD2 PHE 1 HD2 PHE 1 -6.370 -4.275 5.392
9 HE1 PHE 1 HE1 PHE 1 -2.209 -4.706 2.807
10 HE2 PHE 1 HE2 PHE 1 -4.586 -5.775 6.181
11 HZ PHE 1 HZ PHE 1 -2.501 -5.994 4.886
12 H GLN 2 HN GLN 2 -5.626 0.260 1.877
13 HA GLN 2 HA GLN 2 -8.353 1.008 1.116
14 HB2 GLN 2 HB2 GLN 2 -6.169 2.992 1.778
15 HB3 GLN 2 HB1 GLN 2 -7.672 3.413 0.974
16 HG2 GLN 2 HG2 GLN 2 -7.658 2.099 3.668
17 HG3 GLN 2 HG1 GLN 2 -7.470 3.842 3.490
18 HE21 GLN 2 HE21 GLN 2 -9.622 1.135 3.149
19 HE22 GLN 2 HE22 GLN 2 -11.077 2.051 2.975
20 H CYS 3 HN CYS 3 -4.937 1.101 0.413
21 HA CYS 3 HA CYS 3 -5.358 1.690 -2.414
22 HB2 CYS 3 HB2 CYS 3 -3.623 2.955 -1.385
23 HB3 CYS 3 HB1 CYS 3 -2.928 1.530 -0.630
24 H GLY 4 HN GLY 4 -3.922 0.451 -3.978
25 HA2 GLY 4 HA2 GLY 4 -3.201 -1.463 -5.007
26 HA3 GLY 4 HA1 GLY 4 -3.054 -2.192 -3.426
27 H ARG 5 HN ARG 5 -3.681 -4.087 -4.651
28 HA ARG 5 HA ARG 5 -6.375 -4.327 -5.619
29 HB2 ARG 5 HB2 ARG 5 -5.765 -6.736 -5.952
30 HB3 ARG 5 HB1 ARG 5 -4.680 -5.604 -6.746
31 HG2 ARG 5 HG2 ARG 5 -3.339 -5.897 -4.470
32 HG3 ARG 5 HG1 ARG 5 -4.177 -7.452 -4.490
33 HD2 ARG 5 HD2 ARG 5 -3.365 -7.794 -6.802
34 HD3 ARG 5 HD1 ARG 5 -2.441 -6.300 -6.660
35 HE ARG 5 HE ARG 5 -1.807 -8.079 -4.542
36 HH11 ARG 5 HH11 ARG 5 -1.187 -7.587 -7.965
37 HH12 ARG 5 HH12 ARG 5 0.335 -8.414 -7.925
38 HH21 ARG 5 HH21 ARG 5 1.112 -9.300 -5.972
39 HH22 ARG 5 HH22 ARG 5 0.188 -9.156 -4.514
40 H GLN 6 HN GLN 6 -4.976 -4.523 -2.528
41 HA GLN 6 HA GLN 6 -6.497 -6.581 -1.308
42 HB2 GLN 6 HB2 GLN 6 -4.487 -4.899 -0.491
43 HB3 GLN 6 HB1 GLN 6 -5.868 -4.261 0.389
44 HG2 GLN 6 HG2 GLN 6 -4.977 -7.147 0.453
45 HG3 GLN 6 HG1 GLN 6 -4.562 -5.940 1.668
46 HE21 GLN 6 HE21 GLN 6 -7.079 -7.929 0.333
47 HE22 GLN 6 HE22 GLN 6 -8.211 -7.723 1.622
48 H ALA 7 HN ALA 7 -7.249 -3.488 -2.448
49 HA ALA 7 HA ALA 7 -9.910 -3.504 -1.215
50 HB1 ALA 7 HB1 ALA 7 -8.160 -1.109 -1.718
51 HB2 ALA 7 HB2 ALA 7 -8.501 -1.824 -0.143
52 HB3 ALA 7 HB3 ALA 7 -9.800 -1.072 -1.070
53 H GLY 8 HN GLY 8 -7.868 -2.555 -3.897
54 HA2 GLY 8 HA2 GLY 8 -9.238 -3.264 -6.055
55 HA3 GLY 8 HA1 GLY 8 -10.138 -1.832 -5.580
56 H GLY 9 HN GLY 9 -8.725 0.143 -5.182
57 HA2 GLY 9 HA2 GLY 9 -6.192 0.454 -6.344
58 HA3 GLY 9 HA1 GLY 9 -7.394 0.835 -7.567
59 H ALA 10 HN ALA 10 -5.958 1.814 -4.527
60 HA ALA 10 HA ALA 10 -6.967 4.532 -4.942
61 HB1 ALA 10 HB1 ALA 10 -7.650 4.781 -2.614
62 HB2 ALA 10 HB2 ALA 10 -7.225 3.100 -2.294
63 HB3 ALA 10 HB3 ALA 10 -8.553 3.480 -3.390
64 H ARG 11 HN ARG 11 -5.952 5.951 -2.986
65 HA ARG 11 HA ARG 11 -3.160 5.181 -2.499
66 HB2 ARG 11 HB2 ARG 11 -4.086 7.704 -3.877
67 HB3 ARG 11 HB1 ARG 11 -2.522 7.594 -3.084
68 HG2 ARG 11 HG2 ARG 11 -1.779 5.916 -4.592
69 HG3 ARG 11 HG1 ARG 11 -3.399 5.709 -5.258
70 HD2 ARG 11 HD2 ARG 11 -2.169 6.984 -6.835
71 HD3 ARG 11 HD1 ARG 11 -3.272 8.098 -6.033
72 HE ARG 11 HE ARG 11 -0.879 8.208 -4.640
73 HH11 ARG 11 HH11 ARG 11 -1.960 8.954 -7.897
74 HH12 ARG 11 HH12 ARG 11 -0.769 10.189 -8.133
75 HH21 ARG 11 HH21 ARG 11 0.666 9.834 -4.969
76 HH22 ARG 11 HH22 ARG 11 0.717 10.685 -6.476
77 H CYS 12 HN CYS 12 -2.170 6.297 -0.705
78 HA CYS 12 HA CYS 12 -4.114 7.018 1.311
79 HB2 CYS 12 HB2 CYS 12 -1.205 6.421 1.341
80 HB3 CYS 12 HB1 CYS 12 -1.878 7.335 2.682
81 H SER 13 HN SER 13 -1.168 8.713 1.749
82 HA SER 13 HA SER 13 -2.583 11.211 1.900
83 HB2 SER 13 HB2 SER 13 -0.945 10.530 3.638
84 HB3 SER 13 HB1 SER 13 0.342 10.638 2.439
85 HG SER 13 HG SER 13 -0.489 12.558 3.954
86 H ASN 14 HN ASN 14 0.585 10.615 0.454
87 HA ASN 14 HA ASN 14 -0.206 12.159 -1.922
88 HB2 ASN 14 HB2 ASN 14 2.240 12.570 -0.194
89 HB3 ASN 14 HB1 ASN 14 2.129 13.190 -1.837
90 HD21 ASN 14 HD21 ASN 14 0.955 13.460 1.418
91 HD22 ASN 14 HD22 ASN 14 0.165 14.984 1.224
92 H GLY 15 HN GLY 15 2.390 12.068 -3.133
93 HA2 GLY 15 HA2 GLY 15 2.277 9.474 -4.313
94 HA3 GLY 15 HA1 GLY 15 3.463 10.723 -4.656
95 H LEU 16 HN LEU 16 2.544 8.456 -2.114
96 HA LEU 16 HA LEU 16 5.312 8.206 -1.225
97 HB2 LEU 16 HB2 LEU 16 4.027 6.710 0.571
98 HB3 LEU 16 HB1 LEU 16 4.073 8.453 0.695
99 HG LEU 16 HG LEU 16 1.800 8.308 -0.625
100 HD11 LEU 16 HD11 LEU 16 2.009 5.834 -0.932
101 HD12 LEU 16 HD12 LEU 16 0.485 6.399 -0.252
102 HD13 LEU 16 HD13 LEU 16 1.704 5.677 0.798
103 HD21 LEU 16 HD21 LEU 16 1.985 7.594 2.286
104 HD22 LEU 16 HD22 LEU 16 0.596 8.310 1.469
105 HD23 LEU 16 HD23 LEU 16 2.095 9.225 1.621
106 H CYS 17 HN CYS 17 3.707 5.427 -0.373
107 HA CYS 17 HA CYS 17 4.355 3.901 -2.774
108 HB2 CYS 17 HB2 CYS 17 5.371 2.227 -0.829
109 HB3 CYS 17 HB1 CYS 17 6.336 3.219 -1.911
110 H CYS 18 HN CYS 18 3.608 1.550 -2.491
111 HA CYS 18 HA CYS 18 1.393 1.310 -0.598
112 HB2 CYS 18 HB2 CYS 18 0.516 2.231 -2.748
113 HB3 CYS 18 HB1 CYS 18 1.059 0.766 -3.552
114 H SER 19 HN SER 19 1.501 -0.494 0.443
115 HA SER 19 HA SER 19 3.435 -2.450 0.133
116 HB2 SER 19 HB2 SER 19 0.814 -2.507 1.616
117 HB3 SER 19 HB1 SER 19 2.025 -3.779 1.743
118 HG SER 19 HG SER 19 2.413 -2.345 3.385
119 H GLN 20 HN GLN 20 3.387 -4.625 -0.319
120 HA GLN 20 HA GLN 20 2.703 -5.495 -2.752
121 HB2 GLN 20 HB2 GLN 20 3.042 -7.023 -0.206
122 HB3 GLN 20 HB1 GLN 20 2.759 -7.853 -1.728
123 HG2 GLN 20 HG2 GLN 20 4.767 -6.852 -2.666
124 HG3 GLN 20 HG1 GLN 20 5.040 -5.971 -1.163
125 HE21 GLN 20 HE21 GLN 20 5.119 -9.069 -2.731
126 HE22 GLN 20 HE22 GLN 20 6.029 -9.891 -1.514
127 H PHE 21 HN PHE 21 0.585 -5.803 0.021
128 HA PHE 21 HA PHE 21 -1.445 -7.203 -1.500
129 HB2 PHE 21 HB2 PHE 21 -1.313 -6.213 1.341
130 HB3 PHE 21 HB1 PHE 21 -2.768 -6.924 0.659
131 HD1 PHE 21 HD1 PHE 21 -2.892 -9.260 0.151
132 HD2 PHE 21 HD2 PHE 21 0.627 -7.534 1.794
133 HE1 PHE 21 HE1 PHE 21 -2.057 -11.517 0.711
134 HE2 PHE 21 HE2 PHE 21 1.478 -9.783 2.361
135 HZ PHE 21 HZ PHE 21 0.132 -11.777 1.817
136 H GLY 22 HN GLY 22 -0.957 -4.076 -0.043
137 HA2 GLY 22 HA2 GLY 22 -1.866 -2.285 -1.653
138 HA3 GLY 22 HA1 GLY 22 -3.409 -3.039 -1.268
139 H TYR 23 HN TYR 23 -0.558 -2.183 0.662
140 HA TYR 23 HA TYR 23 -2.327 -0.538 2.349
141 HB2 TYR 23 HB2 TYR 23 -1.010 -2.757 3.233
142 HB3 TYR 23 HB1 TYR 23 0.172 -1.506 3.597
143 HD1 TYR 23 HD1 TYR 23 -1.568 0.767 4.374
144 HD2 TYR 23 HD2 TYR 23 -1.879 -3.377 5.293
145 HE1 TYR 23 HE1 TYR 23 -2.832 1.321 6.412
146 HE2 TYR 23 HE2 TYR 23 -3.144 -2.834 7.332
147 HH TYR 23 HH TYR 23 -3.434 -0.934 8.870
148 H CYS 24 HN CYS 24 -2.001 1.468 1.807
149 HA CYS 24 HA CYS 24 0.634 2.404 1.015
150 HB2 CYS 24 HB2 CYS 24 -0.646 4.533 0.493
151 HB3 CYS 24 HB1 CYS 24 -1.139 3.116 -0.423
152 H GLY 25 HN GLY 25 1.690 4.140 1.927
153 HA2 GLY 25 HA2 GLY 25 0.821 5.536 4.236
154 HA3 GLY 25 HA1 GLY 25 1.884 4.211 4.693
155 H SER 26 HN SER 26 3.068 6.211 5.486
156 HA SER 26 HA SER 26 5.217 6.800 3.621
157 HB2 SER 26 HB2 SER 26 5.043 9.313 4.121
158 HB3 SER 26 HB1 SER 26 3.836 8.668 3.013
159 HG SER 26 HG SER 26 3.449 9.071 5.796
160 H THR 27 HN THR 27 4.221 5.906 6.538
161 HA THR 27 HA THR 27 6.702 6.580 7.843
162 HB THR 27 HB THR 27 5.606 8.520 8.556
163 HG1 THR 27 HG1 THR 27 6.538 7.389 10.309
164 HG21 THR 27 HG21 THR 27 3.153 6.929 9.326
165 HG22 THR 27 HG22 THR 27 3.311 7.884 7.851
166 HG23 THR 27 HG23 THR 27 3.356 8.678 9.425
167 HA PRO 28 HA PRO 28 4.506 3.043 10.262
168 HB2 PRO 28 HB2 PRO 28 2.316 1.964 8.712
169 HB3 PRO 28 HB1 PRO 28 2.228 2.825 10.258
170 HG2 PRO 28 HG2 PRO 28 1.192 3.814 7.961
171 HG3 PRO 28 HG1 PRO 28 1.812 4.839 9.274
172 HD2 PRO 28 HD2 PRO 28 3.240 3.954 6.761
173 HD3 PRO 28 HD1 PRO 28 3.088 5.596 7.439
174 HA PRO 29 HA PRO 29 6.371 -0.523 8.200
175 HB2 PRO 29 HB2 PRO 29 4.739 -2.695 8.659
176 HB3 PRO 29 HB1 PRO 29 5.832 -2.004 9.873
177 HG2 PRO 29 HG2 PRO 29 2.906 -1.559 9.510
178 HG3 PRO 29 HG1 PRO 29 3.824 -1.863 11.000
179 HD2 PRO 29 HD2 PRO 29 3.073 0.602 10.357
180 HD3 PRO 29 HD1 PRO 29 4.661 0.294 11.085
181 H TYR 30 HN TYR 30 5.022 1.021 6.420
182 HA TYR 30 HA TYR 30 4.255 -0.881 4.320
183 HB2 TYR 30 HB2 TYR 30 2.805 1.752 4.469
184 HB3 TYR 30 HB1 TYR 30 2.332 0.279 3.640
185 HD1 TYR 30 HD1 TYR 30 1.981 -1.770 5.416
186 HD2 TYR 30 HD2 TYR 30 1.476 2.374 6.233
187 HE1 TYR 30 HE1 TYR 30 0.492 -2.336 7.291
188 HE2 TYR 30 HE2 TYR 30 -0.014 1.817 8.116
189 HH TYR 30 HH TYR 30 -1.456 -0.040 8.843
190 H CYS 31 HN CYS 31 5.479 2.163 5.417
191 HA CYS 31 HA CYS 31 7.061 2.469 3.010
192 HB2 CYS 31 HB2 CYS 31 5.133 4.535 4.023
193 HB3 CYS 31 HB1 CYS 31 6.544 4.987 3.068
194 H GLY 32 HN GLY 32 8.683 1.735 4.352
195 HA2 GLY 32 HA2 GLY 32 10.534 3.442 5.314
196 HA3 GLY 32 HA1 GLY 32 9.484 3.202 6.708
197 H ALA 33 HN ALA 33 8.845 0.779 6.933
198 HA ALA 33 HA ALA 33 10.752 -1.209 6.187
199 HB1 ALA 33 HB1 ALA 33 10.728 -0.392 9.106
200 HB2 ALA 33 HB2 ALA 33 12.060 -0.130 7.980
201 HB3 ALA 33 HB3 ALA 33 11.589 -1.770 8.422
202 H GLY 34 HN GLY 34 9.135 -2.472 5.522
203 HA2 GLY 34 HA2 GLY 34 7.698 -4.039 7.383
204 HA3 GLY 34 HA1 GLY 34 6.634 -2.818 6.699
205 H GLN 35 HN GLN 35 5.881 -3.028 4.670
206 HA GLN 35 HA GLN 35 6.877 -5.210 2.990
207 HB2 GLN 35 HB2 GLN 35 4.406 -5.709 2.423
208 HB3 GLN 35 HB1 GLN 35 5.061 -6.341 3.923
209 HG2 GLN 35 HG2 GLN 35 4.008 -4.446 5.127
210 HG3 GLN 35 HG1 GLN 35 3.278 -3.931 3.610
211 HE21 GLN 35 HE21 GLN 35 1.640 -5.192 2.690
212 HE22 GLN 35 HE22 GLN 35 0.774 -6.371 3.607
213 H CYS 36 HN CYS 36 7.708 -2.824 2.452
214 HA CYS 36 HA CYS 36 5.966 -1.300 0.732
215 HB2 CYS 36 HB2 CYS 36 8.066 0.021 0.290
216 HB3 CYS 36 HB1 CYS 36 7.592 -0.080 1.982
217 H GLN 37 HN GLN 37 5.598 -1.609 -1.354
218 HA GLN 37 HA GLN 37 7.317 -3.428 -2.875
219 HB2 GLN 37 HB2 GLN 37 4.769 -3.732 -2.610
220 HB3 GLN 37 HB1 GLN 37 4.624 -2.398 -3.741
221 HG2 GLN 37 HG2 GLN 37 6.023 -3.726 -5.337
222 HG3 GLN 37 HG1 GLN 37 5.875 -5.084 -4.224
223 HE21 GLN 37 HE21 GLN 37 3.893 -6.112 -3.996
224 HE22 GLN 37 HE22 GLN 37 2.598 -5.884 -5.115
225 H SER 38 HN SER 38 5.682 -0.270 -3.218
226 HA SER 38 HA SER 38 7.005 0.340 -5.688
227 HB2 SER 38 HB2 SER 38 5.241 2.020 -3.907
228 HB3 SER 38 HB1 SER 38 5.845 2.540 -5.480
229 HG SER 38 HG SER 38 4.771 0.668 -6.358
230 H GLN 39 HN GLN 39 7.078 1.920 -2.523
231 HA GLN 39 HA GLN 39 9.867 2.676 -2.994
232 HB2 GLN 39 HB2 GLN 39 7.764 4.476 -3.112
233 HB3 GLN 39 HB1 GLN 39 8.362 4.666 -1.468
234 HG2 GLN 39 HG2 GLN 39 10.629 5.008 -2.404
235 HG3 GLN 39 HG1 GLN 39 9.918 4.968 -4.016
236 HE21 GLN 39 HE21 GLN 39 10.227 6.762 -1.059
237 HE22 GLN 39 HE22 GLN 39 9.593 8.254 -1.657
238 H CYS 40 HN CYS 40 11.175 2.797 -1.184
239 HA CYS 40 HA CYS 40 9.980 1.950 1.369
240 HB2 CYS 40 HB2 CYS 40 12.586 0.954 0.193
241 HB3 CYS 40 HB1 CYS 40 11.956 0.537 1.783
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 -7.872 -0.722 4.552
2 H2 PHE 1 HT2 PHE 1 -6.716 0.415 5.033
3 H3 PHE 1 HT3 PHE 1 -6.400 -1.236 5.211
4 HA PHE 1 HA PHE 1 -5.206 -0.311 3.331
5 HB2 PHE 1 HB2 PHE 1 -7.410 -2.294 2.767
6 HB3 PHE 1 HB1 PHE 1 -6.166 -1.905 1.583
7 HD1 PHE 1 HD1 PHE 1 -6.834 -3.455 4.844
8 HD2 PHE 1 HD2 PHE 1 -3.934 -2.718 1.817
9 HE1 PHE 1 HE1 PHE 1 -5.353 -5.134 5.863
10 HE2 PHE 1 HE2 PHE 1 -2.447 -4.400 2.830
11 HZ PHE 1 HZ PHE 1 -3.156 -5.609 4.856
12 H GLN 2 HN GLN 2 -5.134 0.969 1.574
13 HA GLN 2 HA GLN 2 -7.620 1.993 0.407
14 HB2 GLN 2 HB2 GLN 2 -5.447 3.702 1.629
15 HB3 GLN 2 HB1 GLN 2 -6.613 4.335 0.477
16 HG2 GLN 2 HG2 GLN 2 -8.433 3.712 2.005
17 HG3 GLN 2 HG1 GLN 2 -7.239 3.133 3.165
18 HE21 GLN 2 HE21 GLN 2 -5.960 4.616 4.268
19 HE22 GLN 2 HE22 GLN 2 -6.355 6.296 4.342
20 H CYS 3 HN CYS 3 -5.249 0.246 -0.406
21 HA CYS 3 HA CYS 3 -4.854 1.441 -3.032
22 HB2 CYS 3 HB2 CYS 3 -2.972 2.337 -1.714
23 HB3 CYS 3 HB1 CYS 3 -2.506 0.703 -1.261
24 H GLY 4 HN GLY 4 -3.752 -0.043 -4.543
25 HA2 GLY 4 HA2 GLY 4 -3.431 -2.057 -5.575
26 HA3 GLY 4 HA1 GLY 4 -3.176 -2.739 -3.983
27 H ARG 5 HN ARG 5 -4.142 -4.639 -4.573
28 HA ARG 5 HA ARG 5 -6.939 -4.670 -5.366
29 HB2 ARG 5 HB2 ARG 5 -6.601 -7.137 -5.545
30 HB3 ARG 5 HB1 ARG 5 -5.532 -6.190 -6.567
31 HG2 ARG 5 HG2 ARG 5 -3.753 -6.468 -4.853
32 HG3 ARG 5 HG1 ARG 5 -4.838 -7.563 -3.986
33 HD2 ARG 5 HD2 ARG 5 -5.004 -8.948 -5.990
34 HD3 ARG 5 HD1 ARG 5 -3.868 -7.876 -6.808
35 HE ARG 5 HE ARG 5 -2.533 -8.665 -4.570
36 HH11 ARG 5 HH11 ARG 5 -4.063 -10.428 -7.195
37 HH12 ARG 5 HH12 ARG 5 -2.981 -11.775 -7.072
38 HH21 ARG 5 HH21 ARG 5 -1.325 -11.782 -5.506
39 HH22 ARG 5 HH22 ARG 5 -1.132 -10.441 -4.427
40 H GLN 6 HN GLN 6 -5.187 -4.716 -2.473
41 HA GLN 6 HA GLN 6 -6.650 -6.536 -0.880
42 HB2 GLN 6 HB2 GLN 6 -4.480 -4.872 -0.502
43 HB3 GLN 6 HB1 GLN 6 -5.711 -4.142 0.519
44 HG2 GLN 6 HG2 GLN 6 -4.881 -7.044 0.646
45 HG3 GLN 6 HG1 GLN 6 -4.275 -5.777 1.710
46 HE21 GLN 6 HE21 GLN 6 -5.743 -8.243 2.303
47 HE22 GLN 6 HE22 GLN 6 -7.151 -7.760 3.180
48 H ALA 7 HN ALA 7 -7.257 -3.350 -2.018
49 HA ALA 7 HA ALA 7 -9.646 -3.027 -0.351
50 HB1 ALA 7 HB1 ALA 7 -8.098 -0.993 -1.940
51 HB2 ALA 7 HB2 ALA 7 -7.984 -1.243 -0.198
52 HB3 ALA 7 HB3 ALA 7 -9.489 -0.658 -0.909
53 H GLY 8 HN GLY 8 -8.435 -3.105 -3.622
54 HA2 GLY 8 HA2 GLY 8 -10.020 -4.167 -5.245
55 HA3 GLY 8 HA1 GLY 8 -11.198 -3.001 -4.665
56 H GLY 9 HN GLY 9 -9.915 -0.666 -4.618
57 HA2 GLY 9 HA2 GLY 9 -8.224 -0.031 -6.765
58 HA3 GLY 9 HA1 GLY 9 -9.884 0.161 -7.308
59 H ALA 10 HN ALA 10 -7.521 1.221 -4.910
60 HA ALA 10 HA ALA 10 -8.909 3.813 -4.751
61 HB1 ALA 10 HB1 ALA 10 -9.459 2.517 -2.746
62 HB2 ALA 10 HB2 ALA 10 -8.474 3.926 -2.350
63 HB3 ALA 10 HB3 ALA 10 -7.741 2.323 -2.398
64 H ARG 11 HN ARG 11 -7.195 5.248 -3.193
65 HA ARG 11 HA ARG 11 -4.499 4.911 -4.285
66 HB2 ARG 11 HB2 ARG 11 -4.400 7.375 -4.850
67 HB3 ARG 11 HB1 ARG 11 -5.464 6.438 -5.885
68 HG2 ARG 11 HG2 ARG 11 -7.401 7.263 -4.603
69 HG3 ARG 11 HG1 ARG 11 -6.311 8.237 -3.617
70 HD2 ARG 11 HD2 ARG 11 -6.461 8.479 -6.613
71 HD3 ARG 11 HD1 ARG 11 -7.476 9.428 -5.529
72 HE ARG 11 HE ARG 11 -4.844 9.767 -4.699
73 HH11 ARG 11 HH11 ARG 11 -6.757 10.540 -7.541
74 HH12 ARG 11 HH12 ARG 11 -5.804 11.928 -7.945
75 HH21 ARG 11 HH21 ARG 11 -3.612 11.587 -5.248
76 HH22 ARG 11 HH22 ARG 11 -4.025 12.519 -6.648
77 H CYS 12 HN CYS 12 -2.851 6.142 -3.190
78 HA CYS 12 HA CYS 12 -3.175 6.117 -0.365
79 HB2 CYS 12 HB2 CYS 12 -0.905 6.950 -2.162
80 HB3 CYS 12 HB1 CYS 12 -0.786 6.920 -0.407
81 H SER 13 HN SER 13 -2.147 7.931 0.994
82 HA SER 13 HA SER 13 -3.818 10.161 1.031
83 HB2 SER 13 HB2 SER 13 -2.407 9.181 2.959
84 HB3 SER 13 HB1 SER 13 -1.073 10.133 2.307
85 HG SER 13 HG SER 13 -1.919 11.597 3.577
86 H ASN 14 HN ASN 14 -0.455 9.941 0.055
87 HA ASN 14 HA ASN 14 -0.775 12.174 -1.811
88 HB2 ASN 14 HB2 ASN 14 1.340 11.984 0.349
89 HB3 ASN 14 HB1 ASN 14 1.514 13.022 -1.061
90 HD21 ASN 14 HD21 ASN 14 0.185 14.825 -1.277
91 HD22 ASN 14 HD22 ASN 14 -0.695 15.479 0.059
92 H GLY 15 HN GLY 15 1.846 12.282 -2.755
93 HA2 GLY 15 HA2 GLY 15 1.981 9.846 -4.286
94 HA3 GLY 15 HA1 GLY 15 3.060 11.228 -4.426
95 H LEU 16 HN LEU 16 2.228 8.780 -1.996
96 HA LEU 16 HA LEU 16 5.017 8.648 -1.155
97 HB2 LEU 16 HB2 LEU 16 3.977 7.200 0.729
98 HB3 LEU 16 HB1 LEU 16 3.719 8.931 0.742
99 HG LEU 16 HG LEU 16 1.507 7.991 -0.626
100 HD11 LEU 16 HD11 LEU 16 1.677 5.733 -0.183
101 HD12 LEU 16 HD12 LEU 16 0.634 6.313 1.115
102 HD13 LEU 16 HD13 LEU 16 2.334 5.996 1.431
103 HD21 LEU 16 HD21 LEU 16 0.283 8.588 1.374
104 HD22 LEU 16 HD22 LEU 16 1.558 9.761 1.043
105 HD23 LEU 16 HD23 LEU 16 1.774 8.554 2.311
106 H CYS 17 HN CYS 17 3.474 5.794 -0.282
107 HA CYS 17 HA CYS 17 4.443 4.297 -2.610
108 HB2 CYS 17 HB2 CYS 17 5.144 2.951 -0.131
109 HB3 CYS 17 HB1 CYS 17 6.163 3.327 -1.515
110 H CYS 18 HN CYS 18 3.882 1.886 -2.339
111 HA CYS 18 HA CYS 18 1.406 1.460 -0.828
112 HB2 CYS 18 HB2 CYS 18 0.710 2.199 -3.056
113 HB3 CYS 18 HB1 CYS 18 1.695 0.946 -3.798
114 H SER 19 HN SER 19 1.390 -0.425 0.189
115 HA SER 19 HA SER 19 3.563 -2.249 0.046
116 HB2 SER 19 HB2 SER 19 0.922 -2.389 1.501
117 HB3 SER 19 HB1 SER 19 2.225 -3.555 1.712
118 HG SER 19 HG SER 19 3.447 -2.042 2.675
119 H GLN 20 HN GLN 20 3.513 -4.484 -0.317
120 HA GLN 20 HA GLN 20 2.865 -5.439 -2.728
121 HB2 GLN 20 HB2 GLN 20 3.067 -6.927 -0.138
122 HB3 GLN 20 HB1 GLN 20 2.903 -7.754 -1.680
123 HG2 GLN 20 HG2 GLN 20 4.974 -6.757 -2.460
124 HG3 GLN 20 HG1 GLN 20 5.126 -5.857 -0.952
125 HE21 GLN 20 HE21 GLN 20 5.678 -6.952 0.936
126 HE22 GLN 20 HE22 GLN 20 6.367 -8.535 0.909
127 H PHE 21 HN PHE 21 0.682 -5.702 0.010
128 HA PHE 21 HA PHE 21 -1.307 -7.115 -1.551
129 HB2 PHE 21 HB2 PHE 21 -1.230 -6.118 1.285
130 HB3 PHE 21 HB1 PHE 21 -2.685 -6.796 0.574
131 HD1 PHE 21 HD1 PHE 21 -2.871 -9.121 0.080
132 HD2 PHE 21 HD2 PHE 21 0.688 -7.493 1.736
133 HE1 PHE 21 HE1 PHE 21 -2.103 -11.399 0.645
134 HE2 PHE 21 HE2 PHE 21 1.472 -9.765 2.308
135 HZ PHE 21 HZ PHE 21 0.073 -11.720 1.760
136 H GLY 22 HN GLY 22 -0.720 -3.920 -0.366
137 HA2 GLY 22 HA2 GLY 22 -1.682 -2.175 -1.911
138 HA3 GLY 22 HA1 GLY 22 -3.220 -2.969 -1.593
139 H TYR 23 HN TYR 23 -0.480 -1.973 0.446
140 HA TYR 23 HA TYR 23 -2.402 -0.466 2.100
141 HB2 TYR 23 HB2 TYR 23 -0.995 -2.586 3.011
142 HB3 TYR 23 HB1 TYR 23 0.160 -1.299 3.345
143 HD1 TYR 23 HD1 TYR 23 -1.738 -3.199 5.133
144 HD2 TYR 23 HD2 TYR 23 -1.704 0.926 4.087
145 HE1 TYR 23 HE1 TYR 23 -2.991 -2.673 7.185
146 HE2 TYR 23 HE2 TYR 23 -2.958 1.462 6.135
147 HH TYR 23 HH TYR 23 -4.457 0.341 7.724
148 H CYS 24 HN CYS 24 -2.114 1.608 2.253
149 HA CYS 24 HA CYS 24 0.142 2.868 0.974
150 HB2 CYS 24 HB2 CYS 24 -2.398 3.886 2.208
151 HB3 CYS 24 HB1 CYS 24 -1.144 4.968 1.607
152 H GLY 25 HN GLY 25 1.629 4.199 1.851
153 HA2 GLY 25 HA2 GLY 25 1.671 5.153 4.484
154 HA3 GLY 25 HA1 GLY 25 2.568 3.652 4.428
155 H SER 26 HN SER 26 3.601 6.090 5.127
156 HA SER 26 HA SER 26 5.839 6.344 3.270
157 HB2 SER 26 HB2 SER 26 3.969 8.119 2.771
158 HB3 SER 26 HB1 SER 26 4.548 8.884 4.244
159 HG SER 26 HG SER 26 6.205 8.199 2.047
160 H THR 27 HN THR 27 4.747 5.693 6.134
161 HA THR 27 HA THR 27 7.056 6.557 7.614
162 HB THR 27 HB THR 27 6.013 8.498 8.237
163 HG1 THR 27 HG1 THR 27 4.413 7.202 10.086
164 HG21 THR 27 HG21 THR 27 3.728 9.011 8.153
165 HG22 THR 27 HG22 THR 27 3.241 7.331 8.367
166 HG23 THR 27 HG23 THR 27 3.934 7.859 6.833
167 HA PRO 28 HA PRO 28 4.659 3.224 10.098
168 HB2 PRO 28 HB2 PRO 28 2.345 2.238 8.723
169 HB3 PRO 28 HB1 PRO 28 2.372 3.338 10.112
170 HG2 PRO 28 HG2 PRO 28 1.446 4.053 7.645
171 HG3 PRO 28 HG1 PRO 28 2.115 5.196 8.823
172 HD2 PRO 28 HD2 PRO 28 3.540 3.837 6.528
173 HD3 PRO 28 HD1 PRO 28 3.503 5.571 6.945
174 HA PRO 29 HA PRO 29 6.087 -0.676 8.311
175 HB2 PRO 29 HB2 PRO 29 3.711 -2.225 9.185
176 HB3 PRO 29 HB1 PRO 29 5.414 -2.423 9.640
177 HG2 PRO 29 HG2 PRO 29 3.682 -1.457 11.373
178 HG3 PRO 29 HG1 PRO 29 5.320 -0.777 11.252
179 HD2 PRO 29 HD2 PRO 29 2.760 0.283 10.110
180 HD3 PRO 29 HD1 PRO 29 4.036 1.145 10.999
181 H TYR 30 HN TYR 30 4.907 0.788 6.395
182 HA TYR 30 HA TYR 30 3.844 -1.214 4.528
183 HB2 TYR 30 HB2 TYR 30 2.751 1.581 4.405
184 HB3 TYR 30 HB1 TYR 30 2.075 0.110 3.741
185 HD1 TYR 30 HD1 TYR 30 1.554 -1.683 5.773
186 HD2 TYR 30 HD2 TYR 30 1.477 2.557 6.059
187 HE1 TYR 30 HE1 TYR 30 0.037 -1.855 7.701
188 HE2 TYR 30 HE2 TYR 30 -0.040 2.396 7.995
189 HH TYR 30 HH TYR 30 -1.642 0.816 8.955
190 H CYS 31 HN CYS 31 5.457 1.762 5.272
191 HA CYS 31 HA CYS 31 7.226 1.488 3.054
192 HB2 CYS 31 HB2 CYS 31 5.340 2.859 2.105
193 HB3 CYS 31 HB1 CYS 31 5.771 4.109 3.268
194 H GLY 32 HN GLY 32 8.752 1.169 4.498
195 HA2 GLY 32 HA2 GLY 32 10.436 3.090 5.380
196 HA3 GLY 32 HA1 GLY 32 9.276 2.955 6.702
197 H ALA 33 HN ALA 33 8.672 0.388 6.810
198 HA ALA 33 HA ALA 33 10.764 -1.490 6.574
199 HB1 ALA 33 HB1 ALA 33 11.278 -1.879 8.944
200 HB2 ALA 33 HB2 ALA 33 10.265 -0.510 9.402
201 HB3 ALA 33 HB3 ALA 33 11.739 -0.243 8.474
202 H GLY 34 HN GLY 34 9.198 -2.718 5.674
203 HA2 GLY 34 HA2 GLY 34 7.682 -4.410 7.325
204 HA3 GLY 34 HA1 GLY 34 6.619 -3.165 6.682
205 H GLN 35 HN GLN 35 6.170 -3.091 4.496
206 HA GLN 35 HA GLN 35 7.233 -5.186 2.770
207 HB2 GLN 35 HB2 GLN 35 4.822 -5.661 1.984
208 HB3 GLN 35 HB1 GLN 35 5.358 -6.387 3.489
209 HG2 GLN 35 HG2 GLN 35 4.112 -4.816 4.780
210 HG3 GLN 35 HG1 GLN 35 3.747 -3.848 3.355
211 HE21 GLN 35 HE21 GLN 35 3.030 -6.756 5.113
212 HE22 GLN 35 HE22 GLN 35 1.574 -7.151 4.270
213 H CYS 36 HN CYS 36 8.114 -2.808 2.391
214 HA CYS 36 HA CYS 36 6.481 -1.097 0.766
215 HB2 CYS 36 HB2 CYS 36 8.432 -0.361 2.189
216 HB3 CYS 36 HB1 CYS 36 9.495 -1.079 0.984
217 H GLN 37 HN GLN 37 5.833 -1.635 -1.229
218 HA GLN 37 HA GLN 37 7.597 -3.214 -2.957
219 HB2 GLN 37 HB2 GLN 37 5.109 -3.771 -2.470
220 HB3 GLN 37 HB1 GLN 37 4.758 -2.468 -3.596
221 HG2 GLN 37 HG2 GLN 37 6.247 -3.704 -5.243
222 HG3 GLN 37 HG1 GLN 37 6.150 -5.068 -4.132
223 HE21 GLN 37 HE21 GLN 37 4.229 -6.186 -3.927
224 HE22 GLN 37 HE22 GLN 37 2.905 -5.979 -5.016
225 H SER 38 HN SER 38 5.533 -0.314 -3.089
226 HA SER 38 HA SER 38 6.508 0.569 -5.627
227 HB2 SER 38 HB2 SER 38 4.924 2.085 -3.535
228 HB3 SER 38 HB1 SER 38 5.114 2.545 -5.226
229 HG SER 38 HG SER 38 3.407 1.368 -5.537
230 H GLN 39 HN GLN 39 6.743 3.377 -5.086
231 HA GLN 39 HA GLN 39 9.483 3.712 -4.808
232 HB2 GLN 39 HB2 GLN 39 7.122 5.539 -4.665
233 HB3 GLN 39 HB1 GLN 39 8.715 6.170 -4.274
234 HG2 GLN 39 HG2 GLN 39 9.527 5.476 -6.475
235 HG3 GLN 39 HG1 GLN 39 7.925 4.849 -6.861
236 HE21 GLN 39 HE21 GLN 39 9.846 7.703 -6.359
237 HE22 GLN 39 HE22 GLN 39 8.728 8.824 -7.049
238 H CYS 40 HN CYS 40 10.630 3.150 -3.074
239 HA CYS 40 HA CYS 40 9.617 3.721 -0.385
240 HB2 CYS 40 HB2 CYS 40 12.058 2.116 -1.171
241 HB3 CYS 40 HB1 CYS 40 11.313 2.192 0.422
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 -5.294 -1.647 0.827
2 H2 PHE 1 HT2 PHE 1 -6.897 -2.146 0.624
3 H3 PHE 1 HT3 PHE 1 -5.834 -3.076 1.555
4 HA PHE 1 HA PHE 1 -7.365 -1.804 2.922
5 HB2 PHE 1 HB2 PHE 1 -4.447 -1.050 3.073
6 HB3 PHE 1 HB1 PHE 1 -5.607 -0.683 4.343
7 HD1 PHE 1 HD1 PHE 1 -3.742 -3.343 2.645
8 HD2 PHE 1 HD2 PHE 1 -6.432 -2.390 5.801
9 HE1 PHE 1 HE1 PHE 1 -3.321 -5.545 3.664
10 HE2 PHE 1 HE2 PHE 1 -6.019 -4.591 6.824
11 HZ PHE 1 HZ PHE 1 -4.461 -6.170 5.755
12 H GLN 2 HN GLN 2 -5.162 0.233 1.079
13 HA GLN 2 HA GLN 2 -7.181 2.340 0.965
14 HB2 GLN 2 HB2 GLN 2 -4.429 2.691 2.137
15 HB3 GLN 2 HB1 GLN 2 -5.322 4.047 1.463
16 HG2 GLN 2 HG2 GLN 2 -7.129 3.652 3.057
17 HG3 GLN 2 HG1 GLN 2 -6.235 2.290 3.731
18 HE21 GLN 2 HE21 GLN 2 -4.399 2.677 4.969
19 HE22 GLN 2 HE22 GLN 2 -4.052 4.231 5.636
20 H CYS 3 HN CYS 3 -4.717 0.565 -0.568
21 HA CYS 3 HA CYS 3 -4.925 2.302 -2.915
22 HB2 CYS 3 HB2 CYS 3 -2.418 2.008 -3.315
23 HB3 CYS 3 HB1 CYS 3 -2.866 3.103 -2.011
24 H GLY 4 HN GLY 4 -5.269 1.263 -4.705
25 HA2 GLY 4 HA2 GLY 4 -5.559 -0.389 -6.251
26 HA3 GLY 4 HA1 GLY 4 -3.974 -0.930 -5.749
27 H ARG 5 HN ARG 5 -3.760 -2.797 -4.697
28 HA ARG 5 HA ARG 5 -5.901 -4.658 -4.768
29 HB2 ARG 5 HB2 ARG 5 -3.051 -4.703 -4.487
30 HB3 ARG 5 HB1 ARG 5 -3.762 -5.721 -3.240
31 HG2 ARG 5 HG2 ARG 5 -5.012 -6.942 -4.944
32 HG3 ARG 5 HG1 ARG 5 -4.301 -5.918 -6.193
33 HD2 ARG 5 HD2 ARG 5 -2.070 -6.718 -5.573
34 HD3 ARG 5 HD1 ARG 5 -2.785 -7.745 -4.331
35 HE ARG 5 HE ARG 5 -4.008 -8.417 -6.724
36 HH11 ARG 5 HH11 ARG 5 -0.756 -8.545 -5.404
37 HH12 ARG 5 HH12 ARG 5 -0.296 -9.911 -6.365
38 HH21 ARG 5 HH21 ARG 5 -1.784 -10.848 -7.817
39 HH22 ARG 5 HH22 ARG 5 -3.384 -10.204 -7.972
40 H GLN 6 HN GLN 6 -6.189 -6.232 -2.817
41 HA GLN 6 HA GLN 6 -6.925 -6.703 -0.724
42 HB2 GLN 6 HB2 GLN 6 -5.312 -4.333 -0.158
43 HB3 GLN 6 HB1 GLN 6 -6.698 -4.486 0.911
44 HG2 GLN 6 HG2 GLN 6 -4.711 -6.703 0.432
45 HG3 GLN 6 HG1 GLN 6 -4.584 -5.539 1.750
46 HE21 GLN 6 HE21 GLN 6 -6.129 -5.596 3.420
47 HE22 GLN 6 HE22 GLN 6 -7.087 -7.003 3.717
48 H ALA 7 HN ALA 7 -7.638 -3.619 -2.149
49 HA ALA 7 HA ALA 7 -10.378 -3.648 -1.089
50 HB1 ALA 7 HB1 ALA 7 -8.772 -1.344 -2.185
51 HB2 ALA 7 HB2 ALA 7 -9.070 -1.671 -0.477
52 HB3 ALA 7 HB3 ALA 7 -10.411 -1.248 -1.541
53 H GLY 8 HN GLY 8 -8.382 -3.466 -3.934
54 HA2 GLY 8 HA2 GLY 8 -9.256 -4.539 -5.967
55 HA3 GLY 8 HA1 GLY 8 -10.781 -3.731 -5.639
56 H GLY 9 HN GLY 9 -9.605 -1.199 -4.915
57 HA2 GLY 9 HA2 GLY 9 -7.902 -0.133 -6.868
58 HA3 GLY 9 HA1 GLY 9 -9.552 0.057 -7.439
59 H ALA 10 HN ALA 10 -7.179 1.059 -5.093
60 HA ALA 10 HA ALA 10 -8.853 3.379 -4.418
61 HB1 ALA 10 HB1 ALA 10 -8.228 3.221 -2.062
62 HB2 ALA 10 HB2 ALA 10 -7.320 1.744 -2.391
63 HB3 ALA 10 HB3 ALA 10 -9.073 1.764 -2.587
64 H ARG 11 HN ARG 11 -7.298 4.915 -2.925
65 HA ARG 11 HA ARG 11 -4.618 5.026 -4.108
66 HB2 ARG 11 HB2 ARG 11 -6.775 7.055 -4.422
67 HB3 ARG 11 HB1 ARG 11 -5.136 7.642 -4.181
68 HG2 ARG 11 HG2 ARG 11 -5.579 5.550 -6.242
69 HG3 ARG 11 HG1 ARG 11 -6.108 7.195 -6.592
70 HD2 ARG 11 HD2 ARG 11 -3.329 6.536 -5.639
71 HD3 ARG 11 HD1 ARG 11 -3.769 6.580 -7.345
72 HE ARG 11 HE ARG 11 -4.571 8.990 -6.173
73 HH11 ARG 11 HH11 ARG 11 -1.574 7.333 -6.952
74 HH12 ARG 11 HH12 ARG 11 -0.676 8.803 -7.135
75 HH21 ARG 11 HH21 ARG 11 -3.376 10.900 -6.418
76 HH22 ARG 11 HH22 ARG 11 -1.696 10.820 -6.833
77 H CYS 12 HN CYS 12 -3.083 6.184 -2.943
78 HA CYS 12 HA CYS 12 -3.487 6.194 -0.098
79 HB2 CYS 12 HB2 CYS 12 -1.111 6.834 -1.842
80 HB3 CYS 12 HB1 CYS 12 -1.056 6.819 -0.081
81 H SER 13 HN SER 13 -2.240 8.063 1.137
82 HA SER 13 HA SER 13 -3.835 10.352 1.096
83 HB2 SER 13 HB2 SER 13 -2.425 9.490 3.044
84 HB3 SER 13 HB1 SER 13 -1.033 10.230 2.254
85 HG SER 13 HG SER 13 -2.070 12.239 2.427
86 H ASN 14 HN ASN 14 -0.519 9.957 0.013
87 HA ASN 14 HA ASN 14 -0.858 12.033 -2.022
88 HB2 ASN 14 HB2 ASN 14 1.347 11.967 0.057
89 HB3 ASN 14 HB1 ASN 14 1.462 12.899 -1.431
90 HD21 ASN 14 HD21 ASN 14 0.152 14.707 -1.707
91 HD22 ASN 14 HD22 ASN 14 -0.653 15.467 -0.380
92 H GLY 15 HN GLY 15 1.684 11.999 -3.112
93 HA2 GLY 15 HA2 GLY 15 1.738 9.412 -4.380
94 HA3 GLY 15 HA1 GLY 15 2.810 10.766 -4.721
95 H LEU 16 HN LEU 16 2.093 8.583 -2.020
96 HA LEU 16 HA LEU 16 4.892 8.580 -1.229
97 HB2 LEU 16 HB2 LEU 16 3.926 7.237 0.764
98 HB3 LEU 16 HB1 LEU 16 3.582 8.949 0.654
99 HG LEU 16 HG LEU 16 1.432 7.716 -0.644
100 HD11 LEU 16 HD11 LEU 16 0.615 6.268 1.297
101 HD12 LEU 16 HD12 LEU 16 2.314 6.133 1.733
102 HD13 LEU 16 HD13 LEU 16 1.759 5.565 0.158
103 HD21 LEU 16 HD21 LEU 16 1.620 8.739 2.173
104 HD22 LEU 16 HD22 LEU 16 0.147 8.552 1.224
105 HD23 LEU 16 HD23 LEU 16 1.368 9.725 0.733
106 H CYS 17 HN CYS 17 3.401 5.770 -0.151
107 HA CYS 17 HA CYS 17 4.478 4.090 -2.303
108 HB2 CYS 17 HB2 CYS 17 5.054 3.156 0.446
109 HB3 CYS 17 HB1 CYS 17 6.065 3.085 -0.991
110 H CYS 18 HN CYS 18 3.753 1.817 -2.129
111 HA CYS 18 HA CYS 18 1.391 1.399 -0.449
112 HB2 CYS 18 HB2 CYS 18 0.531 2.239 -2.584
113 HB3 CYS 18 HB1 CYS 18 1.417 0.991 -3.452
114 H SER 19 HN SER 19 1.434 -0.486 0.515
115 HA SER 19 HA SER 19 3.541 -2.341 0.204
116 HB2 SER 19 HB2 SER 19 0.946 -2.540 1.731
117 HB3 SER 19 HB1 SER 19 2.280 -3.679 1.882
118 HG SER 19 HG SER 19 2.026 -1.643 3.336
119 H GLN 20 HN GLN 20 3.348 -4.636 -0.112
120 HA GLN 20 HA GLN 20 2.571 -5.439 -2.590
121 HB2 GLN 20 HB2 GLN 20 3.015 -7.029 -0.096
122 HB3 GLN 20 HB1 GLN 20 2.680 -7.802 -1.639
123 HG2 GLN 20 HG2 GLN 20 4.659 -6.748 -2.603
124 HG3 GLN 20 HG1 GLN 20 4.993 -5.964 -1.061
125 HE21 GLN 20 HE21 GLN 20 5.741 -7.195 0.666
126 HE22 GLN 20 HE22 GLN 20 6.391 -8.780 0.451
127 H PHE 21 HN PHE 21 0.594 -5.569 0.265
128 HA PHE 21 HA PHE 21 -1.510 -7.038 -1.097
129 HB2 PHE 21 HB2 PHE 21 -1.018 -6.121 1.697
130 HB3 PHE 21 HB1 PHE 21 -2.662 -6.498 1.205
131 HD1 PHE 21 HD1 PHE 21 0.658 -7.823 1.838
132 HD2 PHE 21 HD2 PHE 21 -3.317 -8.735 0.637
133 HE1 PHE 21 HE1 PHE 21 1.106 -10.222 2.214
134 HE2 PHE 21 HE2 PHE 21 -2.886 -11.139 1.009
135 HZ PHE 21 HZ PHE 21 -0.670 -11.881 1.798
136 H GLY 22 HN GLY 22 -0.631 -3.807 -0.478
137 HA2 GLY 22 HA2 GLY 22 -1.727 -2.082 -1.792
138 HA3 GLY 22 HA1 GLY 22 -3.256 -2.884 -1.450
139 H TYR 23 HN TYR 23 -0.487 -1.777 0.500
140 HA TYR 23 HA TYR 23 -2.417 -0.367 2.227
141 HB2 TYR 23 HB2 TYR 23 -0.891 -2.421 3.074
142 HB3 TYR 23 HB1 TYR 23 0.230 -1.094 3.359
143 HD1 TYR 23 HD1 TYR 23 -1.417 1.080 4.333
144 HD2 TYR 23 HD2 TYR 23 -1.774 -3.095 5.087
145 HE1 TYR 23 HE1 TYR 23 -2.586 1.566 6.443
146 HE2 TYR 23 HE2 TYR 23 -2.945 -2.618 7.197
147 HH TYR 23 HH TYR 23 -3.140 -0.787 8.823
148 H CYS 24 HN CYS 24 -2.060 1.687 2.743
149 HA CYS 24 HA CYS 24 0.003 3.080 1.246
150 HB2 CYS 24 HB2 CYS 24 -2.437 4.015 2.742
151 HB3 CYS 24 HB1 CYS 24 -1.293 5.110 1.966
152 H GLY 25 HN GLY 25 1.697 4.070 2.051
153 HA2 GLY 25 HA2 GLY 25 1.868 4.981 4.750
154 HA3 GLY 25 HA1 GLY 25 2.790 3.518 4.495
155 H SER 26 HN SER 26 3.569 6.197 5.186
156 HA SER 26 HA SER 26 5.775 6.553 3.298
157 HB2 SER 26 HB2 SER 26 3.769 8.157 2.779
158 HB3 SER 26 HB1 SER 26 4.272 8.990 4.244
159 HG SER 26 HG SER 26 5.209 9.656 2.104
160 H THR 27 HN THR 27 4.769 5.888 6.183
161 HA THR 27 HA THR 27 7.029 6.935 7.621
162 HB THR 27 HB THR 27 5.815 8.802 8.199
163 HG1 THR 27 HG1 THR 27 4.429 7.849 10.224
164 HG21 THR 27 HG21 THR 27 3.198 7.315 8.442
165 HG22 THR 27 HG22 THR 27 3.755 8.010 6.921
166 HG23 THR 27 HG23 THR 27 3.461 9.055 8.310
167 HA PRO 28 HA PRO 28 4.949 3.388 10.098
168 HB2 PRO 28 HB2 PRO 28 2.691 2.245 8.776
169 HB3 PRO 28 HB1 PRO 28 2.659 3.382 10.134
170 HG2 PRO 28 HG2 PRO 28 1.673 3.958 7.641
171 HG3 PRO 28 HG1 PRO 28 2.237 5.175 8.801
172 HD2 PRO 28 HD2 PRO 28 3.794 3.906 6.535
173 HD3 PRO 28 HD1 PRO 28 3.611 5.635 6.930
174 HA PRO 29 HA PRO 29 6.608 -0.421 8.284
175 HB2 PRO 29 HB2 PRO 29 4.299 -2.065 9.186
176 HB3 PRO 29 HB1 PRO 29 6.021 -2.232 9.573
177 HG2 PRO 29 HG2 PRO 29 4.351 -1.339 11.391
178 HG3 PRO 29 HG1 PRO 29 5.954 -0.596 11.201
179 HD2 PRO 29 HD2 PRO 29 3.304 0.380 10.206
180 HD3 PRO 29 HD1 PRO 29 4.597 1.279 11.027
181 H TYR 30 HN TYR 30 5.398 0.969 6.367
182 HA TYR 30 HA TYR 30 4.417 -1.078 4.511
183 HB2 TYR 30 HB2 TYR 30 3.216 1.681 4.451
184 HB3 TYR 30 HB1 TYR 30 2.640 0.229 3.658
185 HD1 TYR 30 HD1 TYR 30 2.001 -1.714 5.392
186 HD2 TYR 30 HD2 TYR 30 2.005 2.443 6.258
187 HE1 TYR 30 HE1 TYR 30 0.453 -2.118 7.263
188 HE2 TYR 30 HE2 TYR 30 0.456 2.057 8.135
189 HH TYR 30 HH TYR 30 -1.198 0.385 8.846
190 H CYS 31 HN CYS 31 5.890 1.979 5.237
191 HA CYS 31 HA CYS 31 7.497 1.794 2.842
192 HB2 CYS 31 HB2 CYS 31 5.629 3.534 2.558
193 HB3 CYS 31 HB1 CYS 31 6.571 4.494 3.698
194 H GLY 32 HN GLY 32 7.457 1.695 5.960
195 HA2 GLY 32 HA2 GLY 32 10.200 2.689 6.165
196 HA3 GLY 32 HA1 GLY 32 9.014 3.142 7.387
197 H ALA 33 HN ALA 33 10.124 0.250 5.683
198 HA ALA 33 HA ALA 33 10.753 -1.826 6.312
199 HB1 ALA 33 HB1 ALA 33 12.132 -0.777 8.069
200 HB2 ALA 33 HB2 ALA 33 11.466 -2.325 8.588
201 HB3 ALA 33 HB3 ALA 33 10.751 -0.821 9.167
202 H GLY 34 HN GLY 34 9.121 -3.018 5.714
203 HA2 GLY 34 HA2 GLY 34 7.453 -4.320 7.531
204 HA3 GLY 34 HA1 GLY 34 6.530 -3.001 6.824
205 H GLN 35 HN GLN 35 6.291 -2.932 4.527
206 HA GLN 35 HA GLN 35 6.955 -5.237 2.930
207 HB2 GLN 35 HB2 GLN 35 4.422 -5.467 2.269
208 HB3 GLN 35 HB1 GLN 35 5.034 -6.306 3.684
209 HG2 GLN 35 HG2 GLN 35 4.108 -4.596 5.134
210 HG3 GLN 35 HG1 GLN 35 3.562 -3.673 3.736
211 HE21 GLN 35 HE21 GLN 35 3.037 -6.479 5.711
212 HE22 GLN 35 HE22 GLN 35 1.468 -6.870 5.102
213 H CYS 36 HN CYS 36 8.075 -3.189 2.199
214 HA CYS 36 HA CYS 36 6.499 -1.289 0.701
215 HB2 CYS 36 HB2 CYS 36 8.800 -0.427 0.039
216 HB3 CYS 36 HB1 CYS 36 8.404 -0.385 1.754
217 H GLN 37 HN GLN 37 5.719 -1.659 -1.269
218 HA GLN 37 HA GLN 37 7.177 -3.421 -3.104
219 HB2 GLN 37 HB2 GLN 37 4.687 -3.746 -2.502
220 HB3 GLN 37 HB1 GLN 37 4.396 -2.350 -3.529
221 HG2 GLN 37 HG2 GLN 37 5.561 -3.576 -5.371
222 HG3 GLN 37 HG1 GLN 37 5.569 -4.997 -4.329
223 HE21 GLN 37 HE21 GLN 37 3.686 -6.118 -3.987
224 HE22 GLN 37 HE22 GLN 37 2.234 -5.820 -4.875
225 H SER 38 HN SER 38 5.525 -0.262 -2.999
226 HA SER 38 HA SER 38 6.522 0.539 -5.576
227 HB2 SER 38 HB2 SER 38 4.942 2.037 -3.481
228 HB3 SER 38 HB1 SER 38 5.366 2.703 -5.058
229 HG SER 38 HG SER 38 3.232 1.621 -4.799
230 H GLN 39 HN GLN 39 6.950 1.795 -2.300
231 HA GLN 39 HA GLN 39 9.693 2.571 -2.950
232 HB2 GLN 39 HB2 GLN 39 7.513 4.434 -2.079
233 HB3 GLN 39 HB1 GLN 39 9.169 4.749 -1.585
234 HG2 GLN 39 HG2 GLN 39 9.838 4.721 -3.966
235 HG3 GLN 39 HG1 GLN 39 8.142 4.528 -4.403
236 HE21 GLN 39 HE21 GLN 39 6.730 6.252 -4.145
237 HE22 GLN 39 HE22 GLN 39 7.284 7.870 -3.899
238 H CYS 40 HN CYS 40 11.103 2.609 -1.220
239 HA CYS 40 HA CYS 40 10.023 1.729 1.373
240 HB2 CYS 40 HB2 CYS 40 11.380 0.058 -0.252
241 HB3 CYS 40 HB1 CYS 40 12.730 0.785 0.614