NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
538110 |
2lg5   |
17797 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 1HT LEU 1 3.816 2.735 -8.270
2 H2 LEU 1 2HT LEU 1 3.189 1.242 -7.795
3 H3 LEU 1 3HT LEU 1 4.587 1.842 -7.063
4 HA LEU 1 HA LEU 1 2.515 2.046 -5.714
5 HB2 LEU 1 2HB LEU 1 4.677 3.390 -5.545
6 HB3 LEU 1 1HB LEU 1 3.854 4.654 -6.436
7 HG LEU 1 HG LEU 1 3.024 3.589 -3.734
8 HD11 LEU 1 2HD1 LEU 1 5.119 4.902 -3.730
9 HD12 LEU 1 3HD1 LEU 1 3.807 5.684 -2.850
10 HD13 LEU 1 1HD1 LEU 1 4.245 6.246 -4.464
11 HD21 LEU 1 1HD2 LEU 1 1.857 5.663 -5.566
12 HD22 LEU 1 2HD2 LEU 1 1.599 5.723 -3.822
13 HD23 LEU 1 3HD2 LEU 1 1.048 4.326 -4.747
14 H PHE 2 H PHE 2 0.392 2.091 -6.234
15 HA PHE 2 HA PHE 2 -0.549 3.795 -8.379
16 HB2 PHE 2 2HB PHE 2 -1.309 1.470 -8.272
17 HB3 PHE 2 1HB PHE 2 -2.049 1.783 -6.708
18 HD1 PHE 2 2HD PHE 2 -2.051 3.648 -9.942
19 HD2 PHE 2 1HD PHE 2 -4.338 1.728 -6.908
20 HE1 PHE 2 2HE PHE 2 -4.123 4.338 -11.072
21 HE2 PHE 2 1HE PHE 2 -6.412 2.413 -8.037
22 HZ PHE 2 HZ PHE 2 -6.308 3.721 -10.119
23 H CYS 3 H CYS 3 -2.342 3.077 -5.473
24 HA CYS 3 HA CYS 3 -3.587 5.572 -5.336
25 HB2 CYS 3 2HB CYS 3 -4.187 4.862 -2.979
26 HB3 CYS 3 1HB CYS 3 -4.632 3.734 -4.253
27 H LYS 4 H LYS 4 -3.424 6.559 -2.802
28 HA LYS 4 HA LYS 4 -0.999 8.074 -2.927
29 HB2 LYS 4 2HB LYS 4 -3.172 8.004 -0.827
30 HB3 LYS 4 1HB LYS 4 -1.850 9.161 -0.863
31 HG2 LYS 4 2HG LYS 4 -2.656 9.956 -3.060
32 HG3 LYS 4 1HG LYS 4 -4.031 8.865 -2.913
33 HD2 LYS 4 2HD LYS 4 -3.350 11.115 -1.020
34 HD3 LYS 4 1HD LYS 4 -4.615 11.147 -2.245
35 HE2 LYS 4 2HE LYS 4 -4.511 9.204 0.059
36 HE3 LYS 4 1HE LYS 4 -5.451 10.690 0.049
37 HZ1 LYS 4 3HZ LYS 4 -5.879 8.219 -1.477
38 HZ2 LYS 4 1HZ LYS 4 -6.436 9.682 -2.109
39 HZ3 LYS 4 2HZ LYS 4 -6.989 9.146 -0.608
40 H GLY 5 H GLY 5 -0.090 5.619 -2.757
41 HA2 GLY 5 2HA GLY 5 1.688 5.564 -0.670
42 HA3 GLY 5 1HA GLY 5 0.304 4.627 -0.120
43 H GLY 6 H GLY 6 -0.464 3.494 -2.561
44 HA2 GLY 6 2HA GLY 6 1.425 2.305 -4.146
45 HA3 GLY 6 1HA GLY 6 1.386 1.312 -2.696
46 H SER 7 H SER 7 0.129 -0.389 -2.886
47 HA SER 7 HA SER 7 -2.204 -0.259 -4.669
48 HB2 SER 7 2HB SER 7 -0.563 -2.040 -5.180
49 HB3 SER 7 1HB SER 7 -0.745 -2.670 -3.545
50 HG SER 7 HG SER 7 -2.890 -3.174 -4.012
51 H CYS 8 H CYS 8 -4.132 -0.040 -3.681
52 HA CYS 8 HA CYS 8 -4.470 0.122 -0.935
53 HB2 CYS 8 2HB CYS 8 -6.776 -0.825 -2.564
54 HB3 CYS 8 1HB CYS 8 -6.696 0.431 -1.338
55 H HIS 9 H HIS 9 -4.816 -1.301 0.661
56 HA HIS 9 HA HIS 9 -4.278 -4.033 0.256
57 HB2 HIS 9 2HB HIS 9 -5.006 -2.341 2.560
58 HB3 HIS 9 1HB HIS 9 -5.441 -4.037 2.711
59 HD1 HIS 9 1HD HIS 9 -3.513 -3.513 4.712
60 HD2 HIS 9 2HD HIS 9 -2.262 -4.032 0.790
61 HE1 HIS 9 1HE HIS 9 -1.087 -4.134 4.855
62 HE2 HIS 9 2HE HIS 9 -0.463 -4.737 2.498
63 H PHE 10 H PHE 10 -5.852 -4.425 -1.460
64 HA PHE 10 HA PHE 10 -8.646 -4.528 -0.796
65 HB2 PHE 10 2HB PHE 10 -7.152 -5.771 -3.119
66 HB3 PHE 10 1HB PHE 10 -8.900 -5.651 -2.979
67 HD1 PHE 10 1HD PHE 10 -9.880 -3.270 -2.767
68 HD2 PHE 10 2HD PHE 10 -5.955 -4.103 -4.186
69 HE1 PHE 10 1HE PHE 10 -9.828 -1.086 -3.895
70 HE2 PHE 10 2HE PHE 10 -5.894 -1.917 -5.312
71 HZ PHE 10 HZ PHE 10 -7.833 -0.405 -5.167
72 H GLY 11 H GLY 11 -7.798 -5.769 1.247
73 HA2 GLY 11 2HA GLY 11 -7.956 -7.722 2.450
74 HA3 GLY 11 1HA GLY 11 -8.733 -8.444 1.045
75 H GLY 12 H GLY 12 -5.681 -6.975 0.586
76 HA2 GLY 12 2HA GLY 12 -3.850 -8.911 1.268
77 HA3 GLY 12 1HA GLY 12 -4.481 -9.401 -0.298
78 H CYS 13 H CYS 13 -2.385 -9.093 -1.195
79 HA CYS 13 HA CYS 13 -2.003 -6.756 -2.588
80 HB2 CYS 13 2HB CYS 13 -0.996 -6.570 0.137
81 HB3 CYS 13 1HB CYS 13 0.282 -6.323 -1.047
82 HA PRO 14 HA PRO 14 0.970 -8.936 -4.981
83 HB2 PRO 14 2HB PRO 14 3.048 -6.976 -4.087
84 HB3 PRO 14 1HB PRO 14 2.665 -7.541 -5.718
85 HG2 PRO 14 2HG PRO 14 1.854 -5.142 -4.839
86 HG3 PRO 14 1HG PRO 14 0.864 -6.120 -5.934
87 HD2 PRO 14 2HD PRO 14 0.478 -5.532 -3.064
88 HD3 PRO 14 1HD PRO 14 -0.716 -5.985 -4.293
89 H SER 15 H SER 15 2.282 -7.762 -1.911
90 HA SER 15 HA SER 15 2.913 -10.375 -0.996
91 HB2 SER 15 2HB SER 15 5.403 -9.948 -0.821
92 HB3 SER 15 1HB SER 15 4.815 -10.224 -2.456
93 HG SER 15 HG SER 15 5.326 -8.250 -2.985
94 H HIS 16 H HIS 16 5.000 -9.517 0.817
95 HA HIS 16 HA HIS 16 3.336 -8.206 2.754
96 HB2 HIS 16 2HB HIS 16 4.866 -10.026 3.398
97 HB3 HIS 16 1HB HIS 16 6.240 -9.022 2.945
98 HD1 HIS 16 1HD HIS 16 3.243 -8.684 5.286
99 HD2 HIS 16 2HD HIS 16 7.296 -7.781 5.083
100 HE1 HIS 16 1HE HIS 16 3.811 -7.631 7.495
101 HE2 HIS 16 2HE HIS 16 6.236 -6.974 7.299
102 H LEU 17 H LEU 17 3.509 -6.445 0.787
103 HA LEU 17 HA LEU 17 5.684 -4.634 0.921
104 HB2 LEU 17 2HB LEU 17 2.854 -4.088 0.041
105 HB3 LEU 17 1HB LEU 17 4.262 -3.138 -0.362
106 HG LEU 17 HG LEU 17 3.659 -5.940 -1.288
107 HD11 LEU 17 1HD1 LEU 17 3.679 -4.784 -3.531
108 HD12 LEU 17 2HD1 LEU 17 3.629 -3.260 -2.647
109 HD13 LEU 17 3HD1 LEU 17 2.309 -4.418 -2.481
110 HD21 LEU 17 3HD2 LEU 17 6.025 -4.187 -1.940
111 HD22 LEU 17 1HD2 LEU 17 5.685 -5.777 -2.619
112 HD23 LEU 17 2HD2 LEU 17 6.064 -5.614 -0.905
113 H ILE 18 H ILE 18 5.925 -2.725 2.084
114 HA ILE 18 HA ILE 18 4.565 -2.620 4.589
115 HB ILE 18 HB ILE 18 5.862 -0.583 5.035
116 HG12 ILE 18 2HG1 ILE 18 7.057 -0.943 2.280
117 HG13 ILE 18 1HG1 ILE 18 5.821 0.253 2.651
118 HG21 ILE 18 1HG2 ILE 18 7.124 -2.330 5.719
119 HG22 ILE 18 2HG2 ILE 18 8.186 -1.752 4.438
120 HG23 ILE 18 3HG2 ILE 18 7.106 -3.113 4.141
121 HD11 ILE 18 3HD1 ILE 18 7.288 1.396 4.148
122 HD12 ILE 18 1HD1 ILE 18 8.128 1.149 2.618
123 HD13 ILE 18 2HD1 ILE 18 8.502 0.124 4.004
124 H LYS 19 H LYS 19 2.975 -1.311 5.287
125 HA LYS 19 HA LYS 19 1.286 -0.077 3.356
126 HB2 LYS 19 2HB LYS 19 0.223 -1.026 5.270
127 HB3 LYS 19 1HB LYS 19 1.262 -0.134 6.376
128 HG2 LYS 19 2HG LYS 19 0.203 1.966 5.618
129 HG3 LYS 19 1HG LYS 19 -0.883 1.018 4.602
130 HD2 LYS 19 2HD LYS 19 -1.805 -0.080 6.557
131 HD3 LYS 19 1HD LYS 19 -0.651 0.750 7.601
132 HE2 LYS 19 2HE LYS 19 -2.752 2.106 5.912
133 HE3 LYS 19 1HE LYS 19 -2.897 1.783 7.636
134 HZ1 LYS 19 3HZ LYS 19 -0.516 3.077 7.413
135 HZ2 LYS 19 1HZ LYS 19 -1.973 3.772 7.906
136 HZ3 LYS 19 2HZ LYS 19 -1.490 3.880 6.293
137 H VAL 20 H VAL 20 1.136 2.029 2.775
138 HA VAL 20 HA VAL 20 2.536 4.077 4.312
139 HB VAL 20 HB VAL 20 3.703 4.967 2.350
140 HG11 VAL 20 1HG1 VAL 20 4.382 2.065 2.815
141 HG12 VAL 20 2HG1 VAL 20 4.879 3.407 3.844
142 HG13 VAL 20 3HG1 VAL 20 5.464 3.305 2.183
143 HG21 VAL 20 3HG2 VAL 20 3.416 2.537 0.734
144 HG22 VAL 20 1HG2 VAL 20 3.438 4.231 0.246
145 HG23 VAL 20 2HG2 VAL 20 1.953 3.508 0.863
146 H GLY 21 H GLY 21 -0.212 3.467 3.839
147 HA2 GLY 21 2HA GLY 21 -1.443 5.827 3.594
148 HA3 GLY 21 1HA GLY 21 -1.197 5.394 1.906
149 H SER 22 H SER 22 -3.546 5.395 1.770
150 HA SER 22 HA SER 22 -4.604 2.799 1.844
151 HB2 SER 22 2HB SER 22 -4.726 3.247 4.279
152 HB3 SER 22 1HB SER 22 -5.767 4.625 3.954
153 HG SER 22 HG SER 22 -6.910 2.688 4.501
154 H CYS 23 H CYS 23 -6.467 2.633 0.752
155 HA CYS 23 HA CYS 23 -7.316 5.040 -0.677
156 HB2 CYS 23 2HB CYS 23 -7.911 2.115 -1.226
157 HB3 CYS 23 1HB CYS 23 -8.384 3.466 -2.252
158 H PHE 24 H PHE 24 -9.923 3.420 -1.228
159 HA PHE 24 HA PHE 24 -11.539 4.808 0.586
160 HB2 PHE 24 2HB PHE 24 -12.390 3.963 -1.556
161 HB3 PHE 24 1HB PHE 24 -12.188 2.306 -0.994
162 HD1 PHE 24 1HD PHE 24 -13.629 5.322 0.662
163 HD2 PHE 24 2HD PHE 24 -14.284 1.374 -0.781
164 HE1 PHE 24 1HE PHE 24 -15.904 5.363 1.593
165 HE2 PHE 24 2HE PHE 24 -16.561 1.411 0.146
166 HZ PHE 24 HZ PHE 24 -17.375 3.407 1.334
167 H GLY 25 H GLY 25 -12.619 4.179 2.452
168 HA2 GLY 25 2HA GLY 25 -12.810 3.141 4.488
169 HA3 GLY 25 1HA GLY 25 -12.705 1.645 3.574
170 H PHE 26 H PHE 26 -11.241 0.345 4.436
171 HA PHE 26 HA PHE 26 -8.776 1.534 5.511
172 HB2 PHE 26 2HB PHE 26 -10.359 -0.876 6.332
173 HB3 PHE 26 1HB PHE 26 -8.642 -0.775 6.710
174 HD1 PHE 26 1HD PHE 26 -11.440 1.706 6.780
175 HD2 PHE 26 2HD PHE 26 -8.324 -0.260 8.909
176 HE1 PHE 26 1HE PHE 26 -11.930 3.078 8.760
177 HE2 PHE 26 2HE PHE 26 -8.814 1.106 10.889
178 HZ PHE 26 HZ PHE 26 -10.618 2.778 10.818
179 H ARG 27 H ARG 27 -9.119 1.013 2.744
180 HA ARG 27 HA ARG 27 -7.737 -1.433 2.105
181 HB2 ARG 27 2HB ARG 27 -8.362 0.982 0.398
182 HB3 ARG 27 1HB ARG 27 -7.691 -0.525 -0.194
183 HG2 ARG 27 2HG ARG 27 -10.352 -0.246 1.145
184 HG3 ARG 27 1HG ARG 27 -10.090 -0.274 -0.599
185 HD2 ARG 27 2HD ARG 27 -9.023 -2.497 -0.336
186 HD3 ARG 27 1HD ARG 27 -9.480 -2.466 1.369
187 HE ARG 27 HE ARG 27 -11.692 -1.938 -0.318
188 HH11 ARG 27 1HH1 ARG 27 -9.738 -4.523 1.004
189 HH12 ARG 27 2HH1 ARG 27 -10.933 -5.748 0.731
190 HH21 ARG 27 1HH2 ARG 27 -13.291 -3.556 -0.656
191 HH22 ARG 27 2HH2 ARG 27 -12.954 -5.197 -0.212
192 H SER 28 H SER 28 -6.137 -0.576 3.858
193 HA SER 28 HA SER 28 -4.325 1.400 3.602
194 HB2 SER 28 2HB SER 28 -3.672 -1.449 4.368
195 HB3 SER 28 1HB SER 28 -2.736 -0.021 4.800
196 HG SER 28 HG SER 28 -5.208 0.466 5.554
197 H CYS 29 H CYS 29 -3.013 2.068 2.059
198 HA CYS 29 HA CYS 29 -2.450 0.524 -0.260
199 HB2 CYS 29 2HB CYS 29 -1.412 3.188 0.710
200 HB3 CYS 29 1HB CYS 29 -0.941 2.474 -0.826
201 H CYS 30 H CYS 30 -0.922 -0.924 -0.519
202 HA CYS 30 HA CYS 30 1.306 -1.052 1.384
203 HB2 CYS 30 2HB CYS 30 1.461 -3.353 0.857
204 HB3 CYS 30 1HB CYS 30 -0.257 -3.022 0.970
205 H LYS 31 H LYS 31 3.443 -1.081 0.679
206 HA LYS 31 HA LYS 31 4.033 -0.991 -2.157
207 HB2 LYS 31 2HB LYS 31 3.528 1.345 -1.690
208 HB3 LYS 31 1HB LYS 31 4.650 1.343 -0.339
209 HG2 LYS 31 2HG LYS 31 6.043 0.501 -2.671
210 HG3 LYS 31 1HG LYS 31 5.139 1.963 -3.054
211 HD2 LYS 31 2HD LYS 31 7.032 1.627 -0.729
212 HD3 LYS 31 1HD LYS 31 7.393 2.468 -2.235
213 HE2 LYS 31 2HE LYS 31 5.590 4.059 -1.771
214 HE3 LYS 31 1HE LYS 31 5.252 3.224 -0.257
215 HZ1 LYS 31 3HZ LYS 31 7.784 4.594 -0.955
216 HZ2 LYS 31 1HZ LYS 31 7.492 3.765 0.485
217 HZ3 LYS 31 2HZ LYS 31 6.616 5.160 0.118
218 H TRP 32 H TRP 32 6.258 -1.271 -2.606
219 HA TRP 32 HA TRP 32 7.544 -3.080 -0.923
220 HB2 TRP 32 2HB TRP 32 8.847 -1.412 -3.078
221 HB3 TRP 32 1HB TRP 32 9.425 -2.946 -2.436
222 HD1 TRP 32 HD TRP 32 6.517 -1.534 -4.543
223 HE1 TRP 32 1HE TRP 32 5.612 -3.424 -6.034
224 HE3 TRP 32 3HE TRP 32 9.320 -5.403 -2.732
225 HZ2 TRP 32 2HZ TRP 32 6.030 -6.192 -6.393
226 HZ3 TRP 32 3HZ TRP 32 9.006 -7.642 -3.702
227 HH2 TRP 32 HH TRP 32 7.394 -8.023 -5.494
228 HA PRO 33 HA PRO 33 9.406 -0.548 2.187
229 HB2 PRO 33 2HB PRO 33 11.562 -2.578 2.190
230 HB3 PRO 33 1HB PRO 33 10.533 -2.029 3.517
231 HG2 PRO 33 2HG PRO 33 10.185 -4.428 2.384
232 HG3 PRO 33 1HG PRO 33 8.811 -3.460 2.949
233 HD2 PRO 33 2HD PRO 33 9.803 -3.909 0.166
234 HD3 PRO 33 1HD PRO 33 8.137 -3.753 0.767
235 H TRP 34 H TRP 34 11.490 -1.988 -0.265
236 HA TRP 34 HA TRP 34 13.528 0.013 -0.010
237 HB2 TRP 34 2HB TRP 34 14.447 -1.178 -2.058
238 HB3 TRP 34 1HB TRP 34 14.232 -2.154 -0.620
239 HD1 TRP 34 HD TRP 34 11.576 -1.299 -3.338
240 HE1 TRP 34 1HE TRP 34 10.633 -3.532 -4.213
241 HE3 TRP 34 3HE TRP 34 14.536 -4.474 -0.701
242 HZ2 TRP 34 2HZ TRP 34 11.098 -6.295 -3.815
243 HZ3 TRP 34 3HZ TRP 34 14.233 -6.907 -0.986
244 HH2 TRP 34 HH TRP 34 12.543 -7.791 -2.512
245 H ASN 35 H ASN 35 11.196 1.313 -0.425
246 HA ASN 35 HA ASN 35 11.738 2.715 -2.899
247 HB2 ASN 35 2HB ASN 35 10.205 0.950 -3.638
248 HB3 ASN 35 1HB ASN 35 9.051 1.414 -2.398
249 HD21 ASN 35 1HD2 ASN 35 10.689 4.042 -3.840
250 HD22 ASN 35 2HD2 ASN 35 9.421 4.529 -4.909
251 H ALA 36 H ALA 36 12.105 3.529 -0.312
252 HA ALA 36 HA ALA 36 11.603 5.142 1.220
253 HB1 ALA 36 1HB ALA 36 10.964 7.273 0.281
254 HB2 ALA 36 2HB ALA 36 10.355 6.489 -1.177
255 HB3 ALA 36 3HB ALA 36 12.081 6.466 -0.819
Start of MODEL 2
1 H1 LEU 1 1HT LEU 1 4.489 7.674 -4.887
2 H2 LEU 1 2HT LEU 1 3.212 8.392 -4.044
3 H3 LEU 1 3HT LEU 1 3.372 8.638 -5.705
4 HA LEU 1 HA LEU 1 2.759 6.497 -6.243
5 HB2 LEU 1 2HB LEU 1 2.352 4.826 -4.346
6 HB3 LEU 1 1HB LEU 1 4.001 5.158 -4.819
7 HG LEU 1 HG LEU 1 3.631 4.946 -2.356
8 HD11 LEU 1 2HD1 LEU 1 5.352 6.329 -1.950
9 HD12 LEU 1 3HD1 LEU 1 4.546 7.725 -2.659
10 HD13 LEU 1 1HD1 LEU 1 5.347 6.548 -3.698
11 HD21 LEU 1 1HD2 LEU 1 1.406 6.200 -2.506
12 HD22 LEU 1 2HD2 LEU 1 2.380 7.667 -2.483
13 HD23 LEU 1 3HD2 LEU 1 2.456 6.539 -1.132
14 H PHE 2 H PHE 2 0.637 5.514 -6.079
15 HA PHE 2 HA PHE 2 -1.386 7.399 -5.846
16 HB2 PHE 2 2HB PHE 2 -1.492 4.391 -5.938
17 HB3 PHE 2 1HB PHE 2 -2.938 5.389 -5.945
18 HD1 PHE 2 2HD PHE 2 0.352 5.614 -7.728
19 HD2 PHE 2 1HD PHE 2 -3.890 5.413 -8.022
20 HE1 PHE 2 2HE PHE 2 0.514 5.843 -10.168
21 HE2 PHE 2 1HE PHE 2 -3.732 5.638 -10.465
22 HZ PHE 2 HZ PHE 2 -1.529 5.854 -11.541
23 H CYS 3 H CYS 3 -3.219 7.493 -4.499
24 HA CYS 3 HA CYS 3 -4.111 7.957 -2.464
25 HB2 CYS 3 2HB CYS 3 -4.492 5.933 -1.062
26 HB3 CYS 3 1HB CYS 3 -4.925 5.715 -2.752
27 H LYS 4 H LYS 4 -1.377 8.679 -2.643
28 HA LYS 4 HA LYS 4 0.485 9.124 -1.377
29 HB2 LYS 4 2HB LYS 4 -1.724 9.540 0.649
30 HB3 LYS 4 1HB LYS 4 -0.078 10.130 0.825
31 HG2 LYS 4 2HG LYS 4 -0.373 11.496 -1.197
32 HG3 LYS 4 1HG LYS 4 -2.041 10.935 -1.308
33 HD2 LYS 4 2HD LYS 4 -1.918 13.137 -0.259
34 HD3 LYS 4 1HD LYS 4 -2.528 11.926 0.867
35 HE2 LYS 4 2HE LYS 4 -0.447 11.816 2.010
36 HE3 LYS 4 1HE LYS 4 0.364 12.759 0.762
37 HZ1 LYS 4 3HZ LYS 4 -1.800 13.790 2.510
38 HZ2 LYS 4 1HZ LYS 4 -0.896 14.680 1.395
39 HZ3 LYS 4 2HZ LYS 4 -0.152 14.046 2.773
40 H GLY 5 H GLY 5 -0.067 6.370 -1.525
41 HA2 GLY 5 2HA GLY 5 1.358 5.503 0.847
42 HA3 GLY 5 1HA GLY 5 -0.238 4.806 0.635
43 H GLY 6 H GLY 6 -0.464 4.235 -1.953
44 HA2 GLY 6 2HA GLY 6 1.318 3.345 -3.639
45 HA3 GLY 6 1HA GLY 6 1.658 2.241 -2.316
46 H SER 7 H SER 7 1.005 0.364 -3.193
47 HA SER 7 HA SER 7 -1.363 0.038 -4.715
48 HB2 SER 7 2HB SER 7 0.161 -2.098 -3.209
49 HB3 SER 7 1HB SER 7 -0.862 -2.314 -4.630
50 HG SER 7 HG SER 7 0.643 -1.207 -5.859
51 H CYS 8 H CYS 8 -3.391 0.089 -3.936
52 HA CYS 8 HA CYS 8 -3.978 0.197 -1.192
53 HB2 CYS 8 2HB CYS 8 -5.947 -0.640 -3.320
54 HB3 CYS 8 1HB CYS 8 -6.265 0.194 -1.798
55 H HIS 9 H HIS 9 -4.333 -1.345 0.293
56 HA HIS 9 HA HIS 9 -3.562 -3.974 -0.132
57 HB2 HIS 9 2HB HIS 9 -4.783 -2.486 2.078
58 HB3 HIS 9 1HB HIS 9 -5.125 -4.208 2.093
59 HD1 HIS 9 1HD HIS 9 -3.622 -3.774 4.398
60 HD2 HIS 9 2HD HIS 9 -1.659 -3.817 0.735
61 HE1 HIS 9 1HE HIS 9 -1.208 -4.210 4.932
62 HE2 HIS 9 2HE HIS 9 -0.100 -4.469 2.689
63 H PHE 10 H PHE 10 -4.801 -4.504 -2.075
64 HA PHE 10 HA PHE 10 -7.626 -4.984 -1.832
65 HB2 PHE 10 2HB PHE 10 -5.545 -5.513 -3.922
66 HB3 PHE 10 1HB PHE 10 -7.060 -6.404 -3.995
67 HD1 PHE 10 2HD PHE 10 -6.842 -2.939 -2.768
68 HD2 PHE 10 1HD PHE 10 -7.786 -5.469 -6.060
69 HE1 PHE 10 2HE PHE 10 -7.926 -1.048 -3.909
70 HE2 PHE 10 1HE PHE 10 -8.872 -3.581 -7.202
71 HZ PHE 10 HZ PHE 10 -8.944 -1.369 -6.127
72 H GLY 11 H GLY 11 -7.312 -6.147 0.231
73 HA2 GLY 11 2HA GLY 11 -7.707 -8.212 1.248
74 HA3 GLY 11 1HA GLY 11 -7.250 -9.014 -0.248
75 H GLY 12 H GLY 12 -4.803 -7.409 -0.452
76 HA2 GLY 12 2HA GLY 12 -3.170 -7.962 1.831
77 HA3 GLY 12 1HA GLY 12 -2.910 -9.116 0.529
78 H CYS 13 H CYS 13 -1.185 -8.606 -0.626
79 HA CYS 13 HA CYS 13 -0.916 -6.044 -1.871
80 HB2 CYS 13 2HB CYS 13 0.101 -5.883 0.560
81 HB3 CYS 13 1HB CYS 13 1.420 -6.792 -0.160
82 HA PRO 14 HA PRO 14 1.089 -8.414 -4.998
83 HB2 PRO 14 2HB PRO 14 3.272 -6.397 -5.000
84 HB3 PRO 14 1HB PRO 14 2.248 -6.945 -6.331
85 HG2 PRO 14 2HG PRO 14 1.885 -4.555 -5.191
86 HG3 PRO 14 1HG PRO 14 0.516 -5.530 -5.753
87 HD2 PRO 14 2HD PRO 14 1.498 -5.074 -2.973
88 HD3 PRO 14 1HD PRO 14 -0.161 -5.271 -3.570
89 H SER 15 H SER 15 3.154 -7.141 -2.450
90 HA SER 15 HA SER 15 4.454 -9.720 -2.175
91 HB2 SER 15 2HB SER 15 6.095 -7.210 -2.605
92 HB3 SER 15 1HB SER 15 6.707 -8.847 -2.367
93 HG SER 15 HG SER 15 6.520 -9.125 -4.427
94 H HIS 16 H HIS 16 2.630 -8.522 -0.519
95 HA HIS 16 HA HIS 16 2.245 -7.757 1.598
96 HB2 HIS 16 2HB HIS 16 4.851 -9.213 2.085
97 HB3 HIS 16 1HB HIS 16 3.709 -8.731 3.332
98 HD1 HIS 16 1HD HIS 16 3.989 -11.503 3.633
99 HD2 HIS 16 2HD HIS 16 1.659 -10.072 0.505
100 HE1 HIS 16 1HE HIS 16 2.504 -13.416 2.967
101 HE2 HIS 16 2HE HIS 16 0.955 -12.447 1.235
102 H LEU 17 H LEU 17 3.259 -5.753 0.092
103 HA LEU 17 HA LEU 17 5.568 -4.496 1.108
104 HB2 LEU 17 2HB LEU 17 3.229 -3.030 -0.084
105 HB3 LEU 17 1HB LEU 17 4.919 -2.607 -0.148
106 HG LEU 17 HG LEU 17 3.694 -4.961 -1.565
107 HD11 LEU 17 1HD1 LEU 17 2.888 -2.799 -2.422
108 HD12 LEU 17 2HD1 LEU 17 3.883 -3.671 -3.589
109 HD13 LEU 17 3HD1 LEU 17 4.562 -2.309 -2.697
110 HD21 LEU 17 3HD2 LEU 17 6.017 -5.353 -1.093
111 HD22 LEU 17 1HD2 LEU 17 6.449 -3.742 -1.666
112 HD23 LEU 17 2HD2 LEU 17 5.851 -4.951 -2.801
113 H ILE 18 H ILE 18 5.751 -2.722 2.565
114 HA ILE 18 HA ILE 18 4.069 -2.917 4.847
115 HB ILE 18 HB ILE 18 5.368 -1.099 5.796
116 HG12 ILE 18 2HG1 ILE 18 6.702 -0.841 3.089
117 HG13 ILE 18 1HG1 ILE 18 5.491 0.277 3.706
118 HG21 ILE 18 1HG2 ILE 18 7.737 -2.112 5.143
119 HG22 ILE 18 2HG2 ILE 18 6.717 -3.355 4.421
120 HG23 ILE 18 3HG2 ILE 18 6.579 -2.991 6.140
121 HD11 ILE 18 3HD1 ILE 18 6.942 0.968 5.472
122 HD12 ILE 18 1HD1 ILE 18 7.822 1.065 3.948
123 HD13 ILE 18 2HD1 ILE 18 8.120 -0.276 5.054
124 H LYS 19 H LYS 19 2.483 -1.525 5.621
125 HA LYS 19 HA LYS 19 0.969 -0.126 3.690
126 HB2 LYS 19 2HB LYS 19 -0.142 -1.029 5.634
127 HB3 LYS 19 1HB LYS 19 0.845 -0.042 6.708
128 HG2 LYS 19 2HG LYS 19 -0.167 1.984 5.699
129 HG3 LYS 19 1HG LYS 19 -1.220 0.937 4.748
130 HD2 LYS 19 2HD LYS 19 -2.098 -0.016 6.853
131 HD3 LYS 19 1HD LYS 19 -1.099 1.125 7.750
132 HE2 LYS 19 2HE LYS 19 -2.290 2.992 6.786
133 HE3 LYS 19 1HE LYS 19 -3.224 1.907 5.760
134 HZ1 LYS 19 3HZ LYS 19 -4.582 2.464 7.577
135 HZ2 LYS 19 1HZ LYS 19 -3.360 2.168 8.704
136 HZ3 LYS 19 2HZ LYS 19 -4.064 0.884 7.864
137 H VAL 20 H VAL 20 1.983 1.513 2.695
138 HA VAL 20 HA VAL 20 3.450 3.487 4.227
139 HB VAL 20 HB VAL 20 3.032 3.071 1.273
140 HG11 VAL 20 1HG1 VAL 20 3.193 5.399 1.404
141 HG12 VAL 20 2HG1 VAL 20 4.837 4.866 1.072
142 HG13 VAL 20 3HG1 VAL 20 4.375 5.335 2.709
143 HG21 VAL 20 3HG2 VAL 20 4.605 1.532 1.907
144 HG22 VAL 20 1HG2 VAL 20 5.225 2.540 3.215
145 HG23 VAL 20 2HG2 VAL 20 5.635 2.916 1.541
146 H GLY 21 H GLY 21 0.278 2.953 3.430
147 HA2 GLY 21 2HA GLY 21 -0.576 5.496 4.313
148 HA3 GLY 21 1HA GLY 21 -0.686 5.434 2.560
149 H SER 22 H SER 22 -2.979 5.617 2.679
150 HA SER 22 HA SER 22 -4.280 3.050 3.191
151 HB2 SER 22 2HB SER 22 -5.549 5.556 4.241
152 HB3 SER 22 1HB SER 22 -5.889 3.879 4.663
153 HG SER 22 HG SER 22 -3.507 5.300 5.279
154 H CYS 23 H CYS 23 -5.819 2.575 1.790
155 HA CYS 23 HA CYS 23 -6.488 4.549 -0.282
156 HB2 CYS 23 2HB CYS 23 -5.477 2.142 -0.694
157 HB3 CYS 23 1HB CYS 23 -7.143 1.630 -0.465
158 H PHE 24 H PHE 24 -7.770 2.266 2.007
159 HA PHE 24 HA PHE 24 -10.203 3.670 2.386
160 HB2 PHE 24 2HB PHE 24 -10.549 2.323 0.194
161 HB3 PHE 24 1HB PHE 24 -10.538 0.900 1.227
162 HD1 PHE 24 1HD PHE 24 -12.110 4.287 1.396
163 HD2 PHE 24 2HD PHE 24 -12.634 0.069 1.606
164 HE1 PHE 24 1HE PHE 24 -14.507 4.611 1.840
165 HE2 PHE 24 2HE PHE 24 -15.033 0.387 2.049
166 HZ PHE 24 HZ PHE 24 -15.971 2.658 2.166
167 H GLY 25 H GLY 25 -11.469 2.578 4.129
168 HA2 GLY 25 2HA GLY 25 -10.031 1.861 6.296
169 HA3 GLY 25 1HA GLY 25 -11.652 1.247 6.017
170 H PHE 26 H PHE 26 -11.307 -0.456 3.931
171 HA PHE 26 HA PHE 26 -9.599 -2.532 5.112
172 HB2 PHE 26 2HB PHE 26 -12.029 -3.018 4.953
173 HB3 PHE 26 1HB PHE 26 -11.936 -2.822 3.208
174 HD1 PHE 26 2HD PHE 26 -9.668 -4.590 5.581
175 HD2 PHE 26 1HD PHE 26 -12.347 -4.897 2.286
176 HE1 PHE 26 2HE PHE 26 -9.108 -6.973 5.351
177 HE2 PHE 26 1HE PHE 26 -11.792 -7.282 2.054
178 HZ PHE 26 HZ PHE 26 -10.169 -8.322 3.587
179 H ARG 27 H ARG 27 -8.392 -0.553 3.549
180 HA ARG 27 HA ARG 27 -7.166 -2.191 1.521
181 HB2 ARG 27 2HB ARG 27 -8.565 0.356 0.695
182 HB3 ARG 27 1HB ARG 27 -7.499 -0.598 -0.318
183 HG2 ARG 27 2HG ARG 27 -9.111 -2.499 -0.000
184 HG3 ARG 27 1HG ARG 27 -10.224 -1.310 0.685
185 HD2 ARG 27 2HD ARG 27 -9.766 0.039 -1.450
186 HD3 ARG 27 1HD ARG 27 -9.100 -1.459 -2.093
187 HE ARG 27 HE ARG 27 -11.789 -0.782 -1.984
188 HH11 ARG 27 1HH1 ARG 27 -9.762 -3.513 -1.153
189 HH12 ARG 27 2HH1 ARG 27 -11.008 -4.679 -1.421
190 HH21 ARG 27 1HH2 ARG 27 -13.420 -2.321 -2.358
191 HH22 ARG 27 2HH2 ARG 27 -13.089 -4.006 -2.114
192 H SER 28 H SER 28 -5.817 -1.456 3.589
193 HA SER 28 HA SER 28 -4.680 1.109 3.629
194 HB2 SER 28 2HB SER 28 -3.462 -1.518 4.507
195 HB3 SER 28 1HB SER 28 -2.948 0.084 5.019
196 HG SER 28 HG SER 28 -4.863 -1.451 6.052
197 H CYS 29 H CYS 29 -3.333 2.046 2.192
198 HA CYS 29 HA CYS 29 -2.349 0.671 -0.065
199 HB2 CYS 29 2HB CYS 29 -1.640 3.411 0.999
200 HB3 CYS 29 1HB CYS 29 -1.226 2.803 -0.602
201 H CYS 30 H CYS 30 -0.663 -0.568 -0.214
202 HA CYS 30 HA CYS 30 1.503 -0.349 1.746
203 HB2 CYS 30 2HB CYS 30 1.945 -2.737 1.099
204 HB3 CYS 30 1HB CYS 30 0.409 -2.461 1.898
205 H LYS 31 H LYS 31 3.601 -0.218 1.095
206 HA LYS 31 HA LYS 31 4.233 -0.314 -1.751
207 HB2 LYS 31 2HB LYS 31 3.742 2.048 -1.315
208 HB3 LYS 31 1HB LYS 31 4.863 2.047 0.026
209 HG2 LYS 31 2HG LYS 31 5.903 3.105 -1.834
210 HG3 LYS 31 1HG LYS 31 6.691 1.558 -1.564
211 HD2 LYS 31 2HD LYS 31 6.341 1.890 -3.927
212 HD3 LYS 31 1HD LYS 31 5.310 0.574 -3.354
213 HE2 LYS 31 2HE LYS 31 3.437 2.125 -3.190
214 HE3 LYS 31 1HE LYS 31 4.465 3.427 -3.769
215 HZ1 LYS 31 3HZ LYS 31 3.689 0.993 -5.285
216 HZ2 LYS 31 1HZ LYS 31 4.766 2.168 -5.841
217 HZ3 LYS 31 2HZ LYS 31 3.150 2.566 -5.575
218 H TRP 32 H TRP 32 6.500 -0.549 -2.143
219 HA TRP 32 HA TRP 32 7.749 -2.416 -0.571
220 HB2 TRP 32 2HB TRP 32 9.168 -0.399 -2.323
221 HB3 TRP 32 1HB TRP 32 9.782 -1.972 -1.822
222 HD1 TRP 32 HD TRP 32 6.936 -0.494 -3.987
223 HE1 TRP 32 1HE TRP 32 6.371 -2.184 -5.840
224 HE3 TRP 32 3HE TRP 32 10.023 -4.312 -2.561
225 HZ2 TRP 32 2HZ TRP 32 7.136 -4.793 -6.596
226 HZ3 TRP 32 3HZ TRP 32 10.042 -6.373 -3.904
227 HH2 TRP 32 HH TRP 32 8.628 -6.607 -5.879
228 HA PRO 33 HA PRO 33 9.139 -0.524 3.163
229 HB2 PRO 33 2HB PRO 33 11.648 -2.032 2.555
230 HB3 PRO 33 1HB PRO 33 10.723 -1.949 4.058
231 HG2 PRO 33 2HG PRO 33 10.551 -4.081 2.467
232 HG3 PRO 33 1HG PRO 33 9.127 -3.455 3.317
233 HD2 PRO 33 2HD PRO 33 9.846 -3.269 0.440
234 HD3 PRO 33 1HD PRO 33 8.247 -3.321 1.207
235 H TRP 34 H TRP 34 10.907 -0.382 0.193
236 HA TRP 34 HA TRP 34 13.063 1.215 0.760
237 HB2 TRP 34 2HB TRP 34 11.416 1.845 -1.663
238 HB3 TRP 34 1HB TRP 34 13.162 1.706 -1.501
239 HD1 TRP 34 HD TRP 34 11.395 0.186 -3.752
240 HE1 TRP 34 1HE TRP 34 11.567 -2.376 -3.920
241 HE3 TRP 34 3HE TRP 34 13.230 -0.811 0.910
242 HZ2 TRP 34 2HZ TRP 34 12.375 -4.530 -2.291
243 HZ3 TRP 34 3HZ TRP 34 13.674 -3.152 1.528
244 HH2 TRP 34 HH TRP 34 13.257 -4.973 -0.043
245 H ASN 35 H ASN 35 9.719 2.175 0.170
246 HA ASN 35 HA ASN 35 10.134 4.966 0.422
247 HB2 ASN 35 2HB ASN 35 7.638 3.294 0.781
248 HB3 ASN 35 1HB ASN 35 7.655 5.053 0.723
249 HD21 ASN 35 1HD2 ASN 35 6.973 5.756 -1.153
250 HD22 ASN 35 2HD2 ASN 35 7.317 5.057 -2.698
251 H ALA 36 H ALA 36 9.060 2.477 2.684
252 HA ALA 36 HA ALA 36 9.190 2.336 4.949
253 HB1 ALA 36 1HB ALA 36 10.732 3.579 6.144
254 HB2 ALA 36 2HB ALA 36 10.512 5.012 5.141
255 HB3 ALA 36 3HB ALA 36 11.395 3.622 4.510
Start of MODEL 3
1 H1 LEU 1 1HT LEU 1 8.331 6.344 1.142
2 H2 LEU 1 2HT LEU 1 7.416 4.922 1.117
3 H3 LEU 1 3HT LEU 1 6.817 6.295 1.891
4 HA LEU 1 HA LEU 1 7.327 7.179 -0.614
5 HB2 LEU 1 2HB LEU 1 5.949 4.494 -0.761
6 HB3 LEU 1 1HB LEU 1 6.290 5.574 -2.100
7 HG LEU 1 HG LEU 1 8.195 3.844 -0.552
8 HD11 LEU 1 2HD1 LEU 1 8.862 3.637 -3.154
9 HD12 LEU 1 3HD1 LEU 1 7.138 3.978 -3.293
10 HD13 LEU 1 1HD1 LEU 1 7.691 2.596 -2.347
11 HD21 LEU 1 1HD2 LEU 1 8.825 6.320 -2.129
12 HD22 LEU 1 2HD2 LEU 1 9.986 5.002 -1.973
13 HD23 LEU 1 3HD2 LEU 1 9.408 5.842 -0.535
14 H PHE 2 H PHE 2 5.592 8.368 -1.260
15 HA PHE 2 HA PHE 2 3.479 8.723 0.633
16 HB2 PHE 2 2HB PHE 2 3.963 9.980 -2.074
17 HB3 PHE 2 1HB PHE 2 2.713 10.490 -0.945
18 HD1 PHE 2 2HD PHE 2 6.369 9.711 -0.657
19 HD2 PHE 2 1HD PHE 2 3.215 12.476 0.061
20 HE1 PHE 2 2HE PHE 2 7.960 11.237 0.416
21 HE2 PHE 2 1HE PHE 2 4.808 14.012 1.131
22 HZ PHE 2 HZ PHE 2 7.183 13.392 1.313
23 H CYS 3 H CYS 3 3.113 6.214 -0.013
24 HA CYS 3 HA CYS 3 1.515 4.727 -0.635
25 HB2 CYS 3 2HB CYS 3 -0.114 6.509 -0.060
26 HB3 CYS 3 1HB CYS 3 -0.006 7.114 -1.709
27 H LYS 4 H LYS 4 2.557 7.091 -2.949
28 HA LYS 4 HA LYS 4 1.843 5.738 -5.319
29 HB2 LYS 4 2HB LYS 4 2.307 8.100 -5.334
30 HB3 LYS 4 1HB LYS 4 3.925 7.835 -4.707
31 HG2 LYS 4 2HG LYS 4 4.465 6.622 -6.821
32 HG3 LYS 4 1HG LYS 4 2.887 7.118 -7.438
33 HD2 LYS 4 2HD LYS 4 4.600 8.642 -8.222
34 HD3 LYS 4 1HD LYS 4 3.524 9.474 -7.098
35 HE2 LYS 4 2HE LYS 4 5.157 9.207 -5.310
36 HE3 LYS 4 1HE LYS 4 6.216 8.306 -6.391
37 HZ1 LYS 4 3HZ LYS 4 5.481 10.859 -7.445
38 HZ2 LYS 4 1HZ LYS 4 7.012 10.175 -7.245
39 HZ3 LYS 4 2HZ LYS 4 6.276 10.987 -5.962
40 H GLY 5 H GLY 5 3.216 4.665 -6.815
41 HA2 GLY 5 2HA GLY 5 5.034 3.428 -7.519
42 HA3 GLY 5 1HA GLY 5 5.855 3.820 -6.021
43 H GLY 6 H GLY 6 2.767 2.141 -6.641
44 HA2 GLY 6 2HA GLY 6 3.661 -0.455 -6.276
45 HA3 GLY 6 1HA GLY 6 3.308 0.162 -4.673
46 H SER 7 H SER 7 1.426 -0.655 -4.027
47 HA SER 7 HA SER 7 -0.938 -0.202 -5.647
48 HB2 SER 7 2HB SER 7 -0.084 -2.423 -6.382
49 HB3 SER 7 1HB SER 7 -0.198 -2.986 -4.717
50 HG SER 7 HG SER 7 -2.356 -2.057 -6.318
51 H CYS 8 H CYS 8 -2.931 -0.736 -4.408
52 HA CYS 8 HA CYS 8 -2.554 -0.019 -1.603
53 HB2 CYS 8 2HB CYS 8 -5.187 -0.248 -3.050
54 HB3 CYS 8 1HB CYS 8 -4.825 0.659 -1.590
55 H HIS 9 H HIS 9 -3.574 -1.193 0.086
56 HA HIS 9 HA HIS 9 -3.395 -3.998 -0.222
57 HB2 HIS 9 2HB HIS 9 -3.865 -2.142 2.006
58 HB3 HIS 9 1HB HIS 9 -4.601 -3.721 2.199
59 HD1 HIS 9 1HD HIS 9 -2.848 -5.788 1.848
60 HD2 HIS 9 2HD HIS 9 -1.230 -2.062 2.702
61 HE1 HIS 9 1HE HIS 9 -0.531 -6.241 2.707
62 HE2 HIS 9 2HE HIS 9 0.343 -3.989 3.413
63 H PHE 10 H PHE 10 -5.093 -3.878 -2.054
64 HA PHE 10 HA PHE 10 -7.849 -3.792 -1.287
65 HB2 PHE 10 2HB PHE 10 -6.412 -4.800 -3.741
66 HB3 PHE 10 1HB PHE 10 -8.141 -5.036 -3.533
67 HD1 PHE 10 2HD PHE 10 -5.494 -2.499 -3.944
68 HD2 PHE 10 1HD PHE 10 -9.674 -3.281 -3.886
69 HE1 PHE 10 2HE PHE 10 -5.924 -0.276 -4.910
70 HE2 PHE 10 1HE PHE 10 -10.106 -1.067 -4.856
71 HZ PHE 10 HZ PHE 10 -8.231 0.442 -5.366
72 H GLY 11 H GLY 11 -7.314 -5.199 0.652
73 HA2 GLY 11 2HA GLY 11 -7.933 -7.203 1.663
74 HA3 GLY 11 1HA GLY 11 -8.108 -7.930 0.067
75 H GLY 12 H GLY 12 -5.669 -7.401 -1.041
76 HA2 GLY 12 2HA GLY 12 -3.768 -8.796 0.741
77 HA3 GLY 12 1HA GLY 12 -3.941 -9.206 -0.961
78 H CYS 13 H CYS 13 -2.040 -8.614 -1.832
79 HA CYS 13 HA CYS 13 -1.459 -6.056 -2.570
80 HB2 CYS 13 2HB CYS 13 -0.342 -6.677 0.122
81 HB3 CYS 13 1HB CYS 13 0.680 -5.789 -1.002
82 HA PRO 14 HA PRO 14 1.372 -7.946 -5.321
83 HB2 PRO 14 2HB PRO 14 3.338 -5.910 -4.344
84 HB3 PRO 14 1HB PRO 14 2.939 -6.378 -6.001
85 HG2 PRO 14 2HG PRO 14 1.957 -4.137 -4.950
86 HG3 PRO 14 1HG PRO 14 0.970 -5.153 -6.015
87 HD2 PRO 14 2HD PRO 14 0.810 -4.778 -3.077
88 HD3 PRO 14 1HD PRO 14 -0.467 -5.193 -4.237
89 H SER 15 H SER 15 2.553 -7.182 -2.095
90 HA SER 15 HA SER 15 3.533 -9.773 -1.612
91 HB2 SER 15 2HB SER 15 5.308 -9.177 -3.176
92 HB3 SER 15 1HB SER 15 5.634 -7.694 -2.283
93 HG SER 15 HG SER 15 6.493 -8.847 -0.633
94 H HIS 16 H HIS 16 1.884 -8.211 -0.165
95 HA HIS 16 HA HIS 16 1.474 -7.431 1.928
96 HB2 HIS 16 2HB HIS 16 4.230 -8.574 2.427
97 HB3 HIS 16 1HB HIS 16 3.216 -7.902 3.696
98 HD1 HIS 16 1HD HIS 16 0.690 -9.109 3.716
99 HD2 HIS 16 2HD HIS 16 3.912 -11.236 2.185
100 HE1 HIS 16 1HE HIS 16 -0.028 -11.515 3.722
101 HE2 HIS 16 2HE HIS 16 2.008 -12.794 2.979
102 H LEU 17 H LEU 17 4.954 -6.798 1.628
103 HA LEU 17 HA LEU 17 6.161 -4.885 1.575
104 HB2 LEU 17 2HB LEU 17 3.643 -3.369 0.974
105 HB3 LEU 17 1HB LEU 17 5.279 -3.012 0.470
106 HG LEU 17 HG LEU 17 3.700 -5.381 -0.528
107 HD11 LEU 17 1HD1 LEU 17 2.602 -3.392 -1.285
108 HD12 LEU 17 2HD1 LEU 17 3.512 -4.085 -2.628
109 HD13 LEU 17 3HD1 LEU 17 4.140 -2.677 -1.772
110 HD21 LEU 17 3HD2 LEU 17 6.110 -5.690 -0.627
111 HD22 LEU 17 1HD2 LEU 17 6.286 -4.147 -1.464
112 HD23 LEU 17 2HD2 LEU 17 5.440 -5.482 -2.245
113 H ILE 18 H ILE 18 4.520 -2.300 2.261
114 HA ILE 18 HA ILE 18 4.112 -2.697 5.109
115 HB ILE 18 HB ILE 18 6.470 -2.187 5.022
116 HG12 ILE 18 2HG1 ILE 18 4.830 -1.004 6.690
117 HG13 ILE 18 1HG1 ILE 18 6.523 -0.531 6.636
118 HG21 ILE 18 1HG2 ILE 18 5.631 0.047 3.223
119 HG22 ILE 18 2HG2 ILE 18 6.860 -1.190 2.973
120 HG23 ILE 18 3HG2 ILE 18 7.147 0.119 4.119
121 HD11 ILE 18 3HD1 ILE 18 4.711 0.958 4.857
122 HD12 ILE 18 1HD1 ILE 18 6.059 1.517 5.845
123 HD13 ILE 18 2HD1 ILE 18 4.491 1.205 6.588
124 H LYS 19 H LYS 19 2.629 -1.303 5.957
125 HA LYS 19 HA LYS 19 0.866 -0.025 4.204
126 HB2 LYS 19 2HB LYS 19 0.104 -0.846 6.345
127 HB3 LYS 19 1HB LYS 19 1.154 0.279 7.194
128 HG2 LYS 19 2HG LYS 19 -0.132 2.158 6.371
129 HG3 LYS 19 1HG LYS 19 -1.137 1.080 5.410
130 HD2 LYS 19 2HD LYS 19 -1.996 0.034 7.414
131 HD3 LYS 19 1HD LYS 19 -0.906 0.993 8.414
132 HE2 LYS 19 2HE LYS 19 -3.110 1.959 8.500
133 HE3 LYS 19 1HE LYS 19 -2.036 3.042 7.617
134 HZ1 LYS 19 3HZ LYS 19 -3.884 1.122 6.316
135 HZ2 LYS 19 1HZ LYS 19 -2.979 2.337 5.562
136 HZ3 LYS 19 2HZ LYS 19 -4.253 2.747 6.591
137 H VAL 20 H VAL 20 2.283 1.298 2.970
138 HA VAL 20 HA VAL 20 3.532 3.601 4.146
139 HB VAL 20 HB VAL 20 3.975 4.285 1.818
140 HG11 VAL 20 1HG1 VAL 20 5.660 2.773 1.491
141 HG12 VAL 20 2HG1 VAL 20 4.634 1.384 1.852
142 HG13 VAL 20 3HG1 VAL 20 5.241 2.396 3.162
143 HG21 VAL 20 3HG2 VAL 20 3.066 3.291 -0.023
144 HG22 VAL 20 1HG2 VAL 20 1.737 3.085 1.112
145 HG23 VAL 20 2HG2 VAL 20 2.829 1.745 0.791
146 H GLY 21 H GLY 21 0.872 3.499 4.899
147 HA2 GLY 21 2HA GLY 21 -0.515 5.449 5.205
148 HA3 GLY 21 1HA GLY 21 -0.217 5.866 3.525
149 H SER 22 H SER 22 -2.312 5.910 2.802
150 HA SER 22 HA SER 22 -3.553 3.377 2.283
151 HB2 SER 22 2HB SER 22 -5.146 5.326 3.940
152 HB3 SER 22 1HB SER 22 -5.597 3.689 3.474
153 HG SER 22 HG SER 22 -3.899 4.575 5.486
154 H CYS 23 H CYS 23 -4.902 3.441 0.585
155 HA CYS 23 HA CYS 23 -4.981 5.875 -0.985
156 HB2 CYS 23 2HB CYS 23 -6.126 3.136 -1.618
157 HB3 CYS 23 1HB CYS 23 -5.815 4.441 -2.759
158 H PHE 24 H PHE 24 -7.604 4.805 -2.199
159 HA PHE 24 HA PHE 24 -9.355 6.461 -0.703
160 HB2 PHE 24 2HB PHE 24 -9.694 6.064 -3.103
161 HB3 PHE 24 1HB PHE 24 -9.974 4.356 -2.797
162 HD1 PHE 24 2HD PHE 24 -11.294 7.207 -0.824
163 HD2 PHE 24 1HD PHE 24 -12.155 4.113 -3.618
164 HE1 PHE 24 2HE PHE 24 -13.700 7.656 -0.577
165 HE2 PHE 24 1HE PHE 24 -14.560 4.558 -3.375
166 HZ PHE 24 HZ PHE 24 -15.336 6.330 -1.852
167 H GLY 25 H GLY 25 -10.638 5.970 0.990
168 HA2 GLY 25 2HA GLY 25 -11.721 4.730 2.605
169 HA3 GLY 25 1HA GLY 25 -11.530 3.314 1.578
170 H PHE 26 H PHE 26 -11.002 2.116 3.532
171 HA PHE 26 HA PHE 26 -8.619 2.827 4.968
172 HB2 PHE 26 2HB PHE 26 -10.463 0.451 5.116
173 HB3 PHE 26 1HB PHE 26 -9.013 0.587 6.100
174 HD1 PHE 26 2HD PHE 26 -11.809 2.905 5.181
175 HD2 PHE 26 1HD PHE 26 -9.477 1.125 8.266
176 HE1 PHE 26 2HE PHE 26 -13.072 4.173 6.865
177 HE2 PHE 26 1HE PHE 26 -10.740 2.390 9.954
178 HZ PHE 26 HZ PHE 26 -12.539 3.919 9.255
179 H ARG 27 H ARG 27 -8.691 1.973 1.993
180 HA ARG 27 HA ARG 27 -7.259 -0.449 1.793
181 HB2 ARG 27 2HB ARG 27 -7.393 1.886 -0.116
182 HB3 ARG 27 1HB ARG 27 -6.652 0.338 -0.491
183 HG2 ARG 27 2HG ARG 27 -8.880 -0.706 0.020
184 HG3 ARG 27 1HG ARG 27 -9.542 0.927 0.025
185 HD2 ARG 27 2HD ARG 27 -8.444 1.173 -2.274
186 HD3 ARG 27 1HD ARG 27 -8.271 -0.581 -2.236
187 HE ARG 27 HE ARG 27 -10.615 0.865 -2.837
188 HH11 ARG 27 1HH1 ARG 27 -9.573 -2.009 -1.115
189 HH12 ARG 27 2HH1 ARG 27 -11.099 -2.807 -1.281
190 HH21 ARG 27 1HH2 ARG 27 -12.618 -0.180 -3.031
191 HH22 ARG 27 2HH2 ARG 27 -12.836 -1.763 -2.357
192 H SER 28 H SER 28 -5.669 -0.291 3.418
193 HA SER 28 HA SER 28 -3.737 1.622 3.762
194 HB2 SER 28 2HB SER 28 -3.358 -1.375 3.947
195 HB3 SER 28 1HB SER 28 -2.374 -0.155 4.750
196 HG SER 28 HG SER 28 -4.844 -1.153 5.419
197 H CYS 29 H CYS 29 -2.142 2.402 2.522
198 HA CYS 29 HA CYS 29 -1.623 1.327 -0.070
199 HB2 CYS 29 2HB CYS 29 -0.168 3.463 1.507
200 HB3 CYS 29 1HB CYS 29 0.099 3.110 -0.196
201 H CYS 30 H CYS 30 -0.187 -0.256 -0.577
202 HA CYS 30 HA CYS 30 1.869 -0.853 1.443
203 HB2 CYS 30 2HB CYS 30 1.852 -3.176 0.497
204 HB3 CYS 30 1HB CYS 30 0.388 -2.704 1.329
205 H LYS 31 H LYS 31 3.772 -0.203 0.874
206 HA LYS 31 HA LYS 31 4.648 -0.514 -1.923
207 HB2 LYS 31 2HB LYS 31 4.497 1.911 -0.368
208 HB3 LYS 31 1HB LYS 31 6.181 1.550 -0.703
209 HG2 LYS 31 2HG LYS 31 5.702 2.783 -2.535
210 HG3 LYS 31 1HG LYS 31 5.243 1.202 -3.148
211 HD2 LYS 31 2HD LYS 31 3.408 3.323 -2.042
212 HD3 LYS 31 1HD LYS 31 3.556 2.830 -3.726
213 HE2 LYS 31 2HE LYS 31 2.887 0.510 -2.910
214 HE3 LYS 31 1HE LYS 31 2.393 1.314 -1.422
215 HZ1 LYS 31 3HZ LYS 31 0.593 0.994 -3.093
216 HZ2 LYS 31 1HZ LYS 31 1.394 2.093 -4.099
217 HZ3 LYS 31 2HZ LYS 31 0.808 2.593 -2.599
218 H TRP 32 H TRP 32 6.821 -1.204 -2.156
219 HA TRP 32 HA TRP 32 7.785 -3.074 -0.469
220 HB2 TRP 32 2HB TRP 32 9.516 -1.139 -2.018
221 HB3 TRP 32 1HB TRP 32 10.034 -2.702 -1.390
222 HD1 TRP 32 HD TRP 32 8.568 -1.158 -4.422
223 HE1 TRP 32 1HE TRP 32 7.806 -2.977 -6.078
224 HE3 TRP 32 3HE TRP 32 8.865 -5.226 -1.345
225 HZ2 TRP 32 2HZ TRP 32 7.384 -5.769 -6.074
226 HZ3 TRP 32 3HZ TRP 32 8.260 -7.434 -2.245
227 HH2 TRP 32 HH TRP 32 7.535 -7.697 -4.561
228 HA PRO 33 HA PRO 33 8.844 -0.973 3.279
229 HB2 PRO 33 2HB PRO 33 10.664 -3.211 3.822
230 HB3 PRO 33 1HB PRO 33 9.250 -2.675 4.723
231 HG2 PRO 33 2HG PRO 33 9.246 -4.946 3.275
232 HG3 PRO 33 1HG PRO 33 7.799 -3.942 3.470
233 HD2 PRO 33 2HD PRO 33 9.653 -4.164 1.138
234 HD3 PRO 33 1HD PRO 33 7.891 -3.975 1.167
235 H TRP 34 H TRP 34 10.556 -0.798 0.693
236 HA TRP 34 HA TRP 34 13.231 -0.423 1.682
237 HB2 TRP 34 2HB TRP 34 11.859 -0.040 -0.954
238 HB3 TRP 34 1HB TRP 34 13.371 0.804 -0.667
239 HD1 TRP 34 HD TRP 34 15.185 -0.442 -1.873
240 HE1 TRP 34 1HE TRP 34 15.907 -2.895 -2.147
241 HE3 TRP 34 3HE TRP 34 11.365 -2.705 0.666
242 HZ2 TRP 34 2HZ TRP 34 14.981 -5.443 -1.391
243 HZ3 TRP 34 3HZ TRP 34 11.362 -5.158 0.837
244 HH2 TRP 34 HH TRP 34 13.129 -6.494 -0.173
245 H ASN 35 H ASN 35 11.364 0.901 3.172
246 HA ASN 35 HA ASN 35 12.384 3.516 3.292
247 HB2 ASN 35 2HB ASN 35 10.753 3.715 1.358
248 HB3 ASN 35 1HB ASN 35 9.470 3.311 2.492
249 HD21 ASN 35 1HD2 ASN 35 11.043 5.783 1.023
250 HD22 ASN 35 2HD2 ASN 35 10.662 7.064 2.121
251 H ALA 36 H ALA 36 12.543 3.617 5.422
252 HA ALA 36 HA ALA 36 12.089 3.482 7.645
253 HB1 ALA 36 1HB ALA 36 9.833 3.874 8.389
254 HB2 ALA 36 2HB ALA 36 9.188 3.412 6.814
255 HB3 ALA 36 3HB ALA 36 10.144 4.883 6.976
Start of MODEL 4
1 H1 LEU 1 1HT LEU 1 3.926 1.830 -7.899
2 H2 LEU 1 2HT LEU 1 4.116 3.171 -6.892
3 H3 LEU 1 3HT LEU 1 3.286 3.324 -8.354
4 HA LEU 1 HA LEU 1 1.791 1.466 -7.315
5 HB2 LEU 1 2HB LEU 1 3.091 2.911 -5.021
6 HB3 LEU 1 1HB LEU 1 1.514 2.171 -4.873
7 HG LEU 1 HG LEU 1 3.226 0.737 -3.937
8 HD11 LEU 1 2HD1 LEU 1 2.478 -1.252 -4.842
9 HD12 LEU 1 3HD1 LEU 1 2.438 -0.617 -6.487
10 HD13 LEU 1 1HD1 LEU 1 1.206 -0.130 -5.321
11 HD21 LEU 1 1HD2 LEU 1 5.033 1.605 -5.496
12 HD22 LEU 1 2HD2 LEU 1 4.416 0.457 -6.685
13 HD23 LEU 1 3HD2 LEU 1 5.051 -0.123 -5.146
14 H PHE 2 H PHE 2 -0.314 2.185 -7.037
15 HA PHE 2 HA PHE 2 -0.876 4.771 -8.056
16 HB2 PHE 2 2HB PHE 2 -2.601 2.559 -6.979
17 HB3 PHE 2 1HB PHE 2 -3.280 4.096 -7.494
18 HD1 PHE 2 1HD PHE 2 -0.487 2.215 -9.077
19 HD2 PHE 2 2HD PHE 2 -4.540 3.486 -9.350
20 HE1 PHE 2 1HE PHE 2 -0.580 1.408 -11.396
21 HE2 PHE 2 2HE PHE 2 -4.639 2.676 -11.667
22 HZ PHE 2 HZ PHE 2 -2.658 1.636 -12.695
23 H CYS 3 H CYS 3 -2.884 3.819 -5.456
24 HA CYS 3 HA CYS 3 -3.260 6.165 -4.247
25 HB2 CYS 3 2HB CYS 3 -4.535 4.431 -3.393
26 HB3 CYS 3 1HB CYS 3 -3.142 3.411 -3.084
27 H LYS 4 H LYS 4 -1.895 7.674 -3.710
28 HA LYS 4 HA LYS 4 0.073 8.685 -3.082
29 HB2 LYS 4 2HB LYS 4 -1.488 8.543 -1.104
30 HB3 LYS 4 1HB LYS 4 -0.537 7.174 -0.546
31 HG2 LYS 4 2HG LYS 4 1.405 8.542 -0.279
32 HG3 LYS 4 1HG LYS 4 0.610 9.909 -1.060
33 HD2 LYS 4 2HD LYS 4 0.636 10.212 1.348
34 HD3 LYS 4 1HD LYS 4 -1.018 9.992 0.779
35 HE2 LYS 4 2HE LYS 4 -0.608 8.733 2.830
36 HE3 LYS 4 1HE LYS 4 -0.959 7.657 1.479
37 HZ1 LYS 4 3HZ LYS 4 1.774 8.300 2.429
38 HZ2 LYS 4 1HZ LYS 4 1.351 7.154 1.264
39 HZ3 LYS 4 2HZ LYS 4 0.914 6.921 2.875
40 H GLY 5 H GLY 5 0.752 6.435 -4.515
41 HA2 GLY 5 2HA GLY 5 2.667 5.249 -4.978
42 HA3 GLY 5 1HA GLY 5 3.405 5.991 -3.567
43 H GLY 6 H GLY 6 0.508 3.999 -3.752
44 HA2 GLY 6 2HA GLY 6 1.774 1.623 -2.776
45 HA3 GLY 6 1HA GLY 6 0.892 2.473 -1.516
46 H SER 7 H SER 7 0.514 -0.110 -3.243
47 HA SER 7 HA SER 7 -1.999 0.370 -4.541
48 HB2 SER 7 2HB SER 7 -2.010 -2.215 -4.593
49 HB3 SER 7 1HB SER 7 -0.748 -1.380 -5.495
50 HG SER 7 HG SER 7 -0.333 -2.210 -2.827
51 H CYS 8 H CYS 8 -3.942 0.439 -3.606
52 HA CYS 8 HA CYS 8 -4.338 0.290 -0.865
53 HB2 CYS 8 2HB CYS 8 -6.366 -0.042 -3.079
54 HB3 CYS 8 1HB CYS 8 -6.749 0.264 -1.390
55 H HIS 9 H HIS 9 -4.627 -1.258 0.542
56 HA HIS 9 HA HIS 9 -3.970 -3.871 0.064
57 HB2 HIS 9 2HB HIS 9 -5.080 -2.386 2.314
58 HB3 HIS 9 1HB HIS 9 -5.572 -4.072 2.304
59 HD1 HIS 9 1HD HIS 9 -4.027 -3.934 4.569
60 HD2 HIS 9 2HD HIS 9 -2.076 -3.846 0.903
61 HE1 HIS 9 1HE HIS 9 -1.639 -4.526 5.067
62 HE2 HIS 9 2HE HIS 9 -0.546 -4.688 2.807
63 H PHE 10 H PHE 10 -5.086 -4.630 -1.741
64 HA PHE 10 HA PHE 10 -7.947 -5.005 -1.639
65 HB2 PHE 10 2HB PHE 10 -5.767 -5.769 -3.566
66 HB3 PHE 10 1HB PHE 10 -7.352 -6.522 -3.693
67 HD1 PHE 10 2HD PHE 10 -7.176 -3.073 -2.546
68 HD2 PHE 10 1HD PHE 10 -7.562 -5.606 -5.944
69 HE1 PHE 10 2HE PHE 10 -7.989 -1.168 -3.869
70 HE2 PHE 10 1HE PHE 10 -8.379 -3.706 -7.270
71 HZ PHE 10 HZ PHE 10 -8.593 -1.483 -6.235
72 H GLY 11 H GLY 11 -7.144 -6.032 0.644
73 HA2 GLY 11 2HA GLY 11 -7.380 -7.956 1.902
74 HA3 GLY 11 1HA GLY 11 -7.790 -8.818 0.426
75 H GLY 12 H GLY 12 -4.883 -6.988 1.212
76 HA2 GLY 12 2HA GLY 12 -3.002 -8.518 2.094
77 HA3 GLY 12 1HA GLY 12 -3.278 -9.363 0.577
78 H CYS 13 H CYS 13 -1.330 -8.949 -0.356
79 HA CYS 13 HA CYS 13 -1.013 -6.554 -1.778
80 HB2 CYS 13 2HB CYS 13 -0.276 -5.985 0.719
81 HB3 CYS 13 1HB CYS 13 1.198 -6.802 0.220
82 HA PRO 14 HA PRO 14 1.471 -9.074 -4.402
83 HB2 PRO 14 2HB PRO 14 3.640 -7.042 -4.032
84 HB3 PRO 14 1HB PRO 14 3.026 -7.770 -5.522
85 HG2 PRO 14 2HG PRO 14 2.292 -5.312 -4.830
86 HG3 PRO 14 1HG PRO 14 1.127 -6.435 -5.548
87 HD2 PRO 14 2HD PRO 14 1.391 -5.543 -2.726
88 HD3 PRO 14 1HD PRO 14 -0.063 -5.997 -3.632
89 H SER 15 H SER 15 3.078 -7.761 -1.550
90 HA SER 15 HA SER 15 3.984 -10.330 -0.731
91 HB2 SER 15 2HB SER 15 6.447 -9.691 -0.763
92 HB3 SER 15 1HB SER 15 5.731 -10.068 -2.330
93 HG SER 15 HG SER 15 7.034 -7.922 -1.732
94 H HIS 16 H HIS 16 2.387 -8.814 0.648
95 HA HIS 16 HA HIS 16 2.035 -7.605 2.558
96 HB2 HIS 16 2HB HIS 16 4.654 -8.910 3.315
97 HB3 HIS 16 1HB HIS 16 3.485 -8.229 4.439
98 HD1 HIS 16 1HD HIS 16 0.976 -9.442 4.150
99 HD2 HIS 16 2HD HIS 16 4.359 -11.558 2.997
100 HE1 HIS 16 1HE HIS 16 0.281 -11.860 4.111
101 HE2 HIS 16 2HE HIS 16 2.321 -13.114 3.339
102 H LEU 17 H LEU 17 3.025 -6.015 0.639
103 HA LEU 17 HA LEU 17 5.381 -4.619 1.207
104 HB2 LEU 17 2HB LEU 17 3.003 -3.313 -0.060
105 HB3 LEU 17 1HB LEU 17 4.697 -3.069 -0.391
106 HG LEU 17 HG LEU 17 3.091 -5.494 -1.153
107 HD11 LEU 17 1HD1 LEU 17 2.455 -3.697 -2.542
108 HD12 LEU 17 2HD1 LEU 17 3.614 -4.658 -3.465
109 HD13 LEU 17 3HD1 LEU 17 4.122 -3.146 -2.714
110 HD21 LEU 17 3HD2 LEU 17 5.270 -6.272 -0.757
111 HD22 LEU 17 1HD2 LEU 17 6.002 -4.829 -1.460
112 HD23 LEU 17 2HD2 LEU 17 5.185 -5.995 -2.497
113 H ILE 18 H ILE 18 5.763 -2.675 2.281
114 HA ILE 18 HA ILE 18 4.429 -2.256 4.694
115 HB ILE 18 HB ILE 18 6.153 -0.314 3.144
116 HG12 ILE 18 2HG1 ILE 18 6.841 -2.205 5.405
117 HG13 ILE 18 1HG1 ILE 18 7.263 -2.445 3.714
118 HG21 ILE 18 1HG2 ILE 18 5.185 -0.262 5.998
119 HG22 ILE 18 2HG2 ILE 18 4.898 0.938 4.738
120 HG23 ILE 18 3HG2 ILE 18 6.518 0.725 5.399
121 HD11 ILE 18 3HD1 ILE 18 8.519 -0.249 3.872
122 HD12 ILE 18 1HD1 ILE 18 9.198 -1.625 4.741
123 HD13 ILE 18 2HD1 ILE 18 8.307 -0.381 5.618
124 H LYS 19 H LYS 19 2.731 -1.021 5.291
125 HA LYS 19 HA LYS 19 0.941 -0.070 3.321
126 HB2 LYS 19 2HB LYS 19 -0.035 -0.822 5.322
127 HB3 LYS 19 1HB LYS 19 1.048 0.142 6.310
128 HG2 LYS 19 2HG LYS 19 -0.103 2.179 5.334
129 HG3 LYS 19 1HG LYS 19 -1.304 1.060 4.693
130 HD2 LYS 19 2HD LYS 19 -2.207 1.789 6.730
131 HD3 LYS 19 1HD LYS 19 -1.529 0.203 7.092
132 HE2 LYS 19 2HE LYS 19 -0.165 2.841 7.632
133 HE3 LYS 19 1HE LYS 19 -1.033 1.889 8.830
134 HZ1 LYS 19 3HZ LYS 19 0.604 0.045 8.166
135 HZ2 LYS 19 1HZ LYS 19 1.152 1.293 9.160
136 HZ3 LYS 19 2HZ LYS 19 1.538 1.295 7.518
137 H VAL 20 H VAL 20 0.964 1.807 2.268
138 HA VAL 20 HA VAL 20 2.242 4.139 3.511
139 HB VAL 20 HB VAL 20 3.160 4.795 1.322
140 HG11 VAL 20 1HG1 VAL 20 4.107 2.017 1.974
141 HG12 VAL 20 2HG1 VAL 20 4.434 3.401 3.017
142 HG13 VAL 20 3HG1 VAL 20 5.044 3.380 1.363
143 HG21 VAL 20 3HG2 VAL 20 3.290 2.941 -0.432
144 HG22 VAL 20 1HG2 VAL 20 1.746 3.772 -0.256
145 HG23 VAL 20 2HG2 VAL 20 1.973 2.172 0.448
146 H GLY 21 H GLY 21 -0.551 3.472 3.410
147 HA2 GLY 21 2HA GLY 21 -1.787 5.819 2.927
148 HA3 GLY 21 1HA GLY 21 -1.747 5.096 1.324
149 H SER 22 H SER 22 -4.134 5.113 1.455
150 HA SER 22 HA SER 22 -5.129 2.590 2.116
151 HB2 SER 22 2HB SER 22 -6.692 3.360 4.002
152 HB3 SER 22 1HB SER 22 -5.009 3.041 4.405
153 HG SER 22 HG SER 22 -5.192 5.580 3.649
154 H CYS 23 H CYS 23 -6.950 2.179 1.174
155 HA CYS 23 HA CYS 23 -8.484 4.338 -0.096
156 HB2 CYS 23 2HB CYS 23 -8.049 1.437 -0.704
157 HB3 CYS 23 1HB CYS 23 -9.572 2.159 -1.185
158 H PHE 24 H PHE 24 -10.858 4.215 0.097
159 HA PHE 24 HA PHE 24 -11.792 3.895 2.666
160 HB2 PHE 24 2HB PHE 24 -13.060 5.044 0.881
161 HB3 PHE 24 1HB PHE 24 -13.387 3.489 0.124
162 HD1 PHE 24 2HD PHE 24 -13.520 4.486 3.710
163 HD2 PHE 24 1HD PHE 24 -15.673 3.172 0.283
164 HE1 PHE 24 2HE PHE 24 -15.548 4.244 5.080
165 HE2 PHE 24 1HE PHE 24 -17.704 2.929 1.646
166 HZ PHE 24 HZ PHE 24 -17.644 3.465 4.048
167 H GLY 25 H GLY 25 -12.812 2.244 3.808
168 HA2 GLY 25 2HA GLY 25 -13.562 0.078 4.235
169 HA3 GLY 25 1HA GLY 25 -13.134 -0.374 2.593
170 H PHE 26 H PHE 26 -11.140 1.141 5.065
171 HA PHE 26 HA PHE 26 -9.066 0.621 5.847
172 HB2 PHE 26 2HB PHE 26 -10.520 -0.843 7.218
173 HB3 PHE 26 1HB PHE 26 -10.293 -2.138 6.049
174 HD1 PHE 26 2HD PHE 26 -7.839 0.264 7.484
175 HD2 PHE 26 1HD PHE 26 -9.095 -3.784 7.150
176 HE1 PHE 26 2HE PHE 26 -5.822 -0.453 8.691
177 HE2 PHE 26 1HE PHE 26 -7.078 -4.510 8.356
178 HZ PHE 26 HZ PHE 26 -5.438 -2.846 9.127
179 H ARG 27 H ARG 27 -9.399 0.437 2.974
180 HA ARG 27 HA ARG 27 -7.830 -1.827 2.110
181 HB2 ARG 27 2HB ARG 27 -8.927 0.593 0.700
182 HB3 ARG 27 1HB ARG 27 -7.882 -0.554 -0.109
183 HG2 ARG 27 2HG ARG 27 -10.516 -1.183 1.176
184 HG3 ARG 27 1HG ARG 27 -10.246 -0.924 -0.550
185 HD2 ARG 27 2HD ARG 27 -8.710 -2.802 -0.602
186 HD3 ARG 27 1HD ARG 27 -8.959 -3.066 1.127
187 HE ARG 27 HE ARG 27 -11.391 -3.058 -0.361
188 HH11 ARG 27 1HH1 ARG 27 -8.719 -5.025 0.723
189 HH12 ARG 27 2HH1 ARG 27 -9.558 -6.528 0.497
190 HH21 ARG 27 1HH2 ARG 27 -12.512 -5.033 -0.651
191 HH22 ARG 27 2HH2 ARG 27 -11.718 -6.529 -0.290
192 H SER 28 H SER 28 -6.314 -0.953 3.915
193 HA SER 28 HA SER 28 -4.688 1.222 3.712
194 HB2 SER 28 2HB SER 28 -3.637 -1.503 4.464
195 HB3 SER 28 1HB SER 28 -3.153 0.068 5.107
196 HG SER 28 HG SER 28 -4.934 0.158 6.311
197 H CYS 29 H CYS 29 -3.485 1.975 2.115
198 HA CYS 29 HA CYS 29 -2.722 0.401 -0.120
199 HB2 CYS 29 2HB CYS 29 -1.675 3.132 0.628
200 HB3 CYS 29 1HB CYS 29 -1.751 2.418 -0.979
201 H CYS 30 H CYS 30 -0.774 -0.486 -0.631
202 HA CYS 30 HA CYS 30 1.365 -0.278 1.365
203 HB2 CYS 30 2HB CYS 30 1.701 -2.766 1.035
204 HB3 CYS 30 1HB CYS 30 0.258 -2.304 1.919
205 H LYS 31 H LYS 31 3.454 -0.486 0.601
206 HA LYS 31 HA LYS 31 3.875 -0.910 -2.253
207 HB2 LYS 31 2HB LYS 31 3.594 1.476 -2.087
208 HB3 LYS 31 1HB LYS 31 4.730 1.568 -0.756
209 HG2 LYS 31 2HG LYS 31 5.877 0.356 -3.137
210 HG3 LYS 31 1HG LYS 31 5.283 1.993 -3.418
211 HD2 LYS 31 2HD LYS 31 7.084 1.259 -1.122
212 HD3 LYS 31 1HD LYS 31 7.688 1.816 -2.682
213 HE2 LYS 31 2HE LYS 31 6.380 3.892 -2.405
214 HE3 LYS 31 1HE LYS 31 5.862 3.332 -0.817
215 HZ1 LYS 31 3HZ LYS 31 8.719 3.618 -1.514
216 HZ2 LYS 31 1HZ LYS 31 8.022 3.504 0.019
217 HZ3 LYS 31 2HZ LYS 31 7.823 4.904 -0.899
218 H TRP 32 H TRP 32 5.861 -1.679 -2.760
219 HA TRP 32 HA TRP 32 7.183 -3.296 -0.988
220 HB2 TRP 32 2HB TRP 32 8.463 -1.964 -3.382
221 HB3 TRP 32 1HB TRP 32 8.986 -3.453 -2.607
222 HD1 TRP 32 HD TRP 32 5.916 -2.120 -4.570
223 HE1 TRP 32 1HE TRP 32 4.896 -4.088 -5.870
224 HE3 TRP 32 3HE TRP 32 8.917 -5.870 -2.831
225 HZ2 TRP 32 2HZ TRP 32 5.305 -6.872 -6.118
226 HZ3 TRP 32 3HZ TRP 32 8.538 -8.157 -3.648
227 HH2 TRP 32 HH TRP 32 6.767 -8.648 -5.257
228 HA PRO 33 HA PRO 33 9.421 -0.642 1.757
229 HB2 PRO 33 2HB PRO 33 11.480 -2.791 1.673
230 HB3 PRO 33 1HB PRO 33 10.681 -2.052 3.063
231 HG2 PRO 33 2HG PRO 33 10.016 -4.502 2.245
232 HG3 PRO 33 1HG PRO 33 8.795 -3.373 2.853
233 HD2 PRO 33 2HD PRO 33 9.391 -4.189 0.045
234 HD3 PRO 33 1HD PRO 33 7.833 -3.808 0.806
235 H TRP 34 H TRP 34 11.435 -2.419 -0.583
236 HA TRP 34 HA TRP 34 13.287 -0.222 -0.788
237 HB2 TRP 34 2HB TRP 34 13.209 -2.741 -2.449
238 HB3 TRP 34 1HB TRP 34 14.551 -1.635 -2.276
239 HD1 TRP 34 HD TRP 34 16.186 -2.088 -0.430
240 HE1 TRP 34 1HE TRP 34 16.377 -3.774 1.508
241 HE3 TRP 34 3HE TRP 34 11.543 -4.173 -0.742
242 HZ2 TRP 34 2HZ TRP 34 14.759 -5.729 2.731
243 HZ3 TRP 34 3HZ TRP 34 10.941 -5.952 0.845
244 HH2 TRP 34 HH TRP 34 12.520 -6.715 2.542
245 H ASN 35 H ASN 35 11.112 -1.920 -3.049
246 HA ASN 35 HA ASN 35 10.201 -1.275 -5.040
247 HB2 ASN 35 2HB ASN 35 9.049 0.294 -3.434
248 HB3 ASN 35 1HB ASN 35 10.260 1.506 -3.834
249 HD21 ASN 35 1HD2 ASN 35 7.225 0.476 -4.496
250 HD22 ASN 35 2HD2 ASN 35 7.014 1.165 -6.067
251 H ALA 36 H ALA 36 12.880 -1.604 -5.135
252 HA ALA 36 HA ALA 36 13.649 -0.234 -7.445
253 HB1 ALA 36 1HB ALA 36 14.077 1.755 -6.355
254 HB2 ALA 36 2HB ALA 36 15.653 0.969 -6.270
255 HB3 ALA 36 3HB ALA 36 14.584 0.953 -4.868
Start of MODEL 5
1 H1 LEU 1 1HT LEU 1 3.987 -1.054 -7.100
2 H2 LEU 1 2HT LEU 1 2.490 -1.719 -7.494
3 H3 LEU 1 3HT LEU 1 3.025 -1.743 -5.895
4 HA LEU 1 HA LEU 1 1.877 0.097 -5.578
5 HB2 LEU 1 2HB LEU 1 3.997 1.143 -7.459
6 HB3 LEU 1 1HB LEU 1 2.930 2.177 -6.537
7 HG LEU 1 HG LEU 1 3.868 1.295 -4.433
8 HD11 LEU 1 2HD1 LEU 1 5.498 -0.386 -6.321
9 HD12 LEU 1 3HD1 LEU 1 4.530 -0.899 -4.938
10 HD13 LEU 1 1HD1 LEU 1 6.036 -0.023 -4.682
11 HD21 LEU 1 1HD2 LEU 1 6.264 2.155 -4.869
12 HD22 LEU 1 2HD2 LEU 1 4.907 3.258 -5.092
13 HD23 LEU 1 3HD2 LEU 1 5.674 2.510 -6.492
14 H PHE 2 H PHE 2 0.449 1.794 -6.509
15 HA PHE 2 HA PHE 2 -0.214 1.884 -9.231
16 HB2 PHE 2 2HB PHE 2 -0.994 -0.381 -8.984
17 HB3 PHE 2 1HB PHE 2 -1.890 0.041 -7.530
18 HD1 PHE 2 1HD PHE 2 -1.700 1.503 -10.964
19 HD2 PHE 2 2HD PHE 2 -4.141 -0.131 -7.886
20 HE1 PHE 2 1HE PHE 2 -3.701 1.932 -12.329
21 HE2 PHE 2 2HE PHE 2 -6.145 0.292 -9.245
22 HZ PHE 2 HZ PHE 2 -5.928 1.323 -11.468
23 H CYS 3 H CYS 3 -1.742 1.874 -6.072
24 HA CYS 3 HA CYS 3 -3.408 4.138 -6.711
25 HB2 CYS 3 2HB CYS 3 -4.155 3.907 -4.327
26 HB3 CYS 3 1HB CYS 3 -4.363 2.455 -5.297
27 H LYS 4 H LYS 4 -2.896 4.873 -3.677
28 HA LYS 4 HA LYS 4 -1.319 7.154 -4.242
29 HB2 LYS 4 2HB LYS 4 -2.317 5.986 -1.644
30 HB3 LYS 4 1HB LYS 4 -1.473 7.523 -1.764
31 HG2 LYS 4 2HG LYS 4 -3.240 8.352 -3.263
32 HG3 LYS 4 1HG LYS 4 -4.099 6.826 -3.054
33 HD2 LYS 4 2HD LYS 4 -4.373 7.246 -0.698
34 HD3 LYS 4 1HD LYS 4 -3.367 8.692 -0.801
35 HE2 LYS 4 2HE LYS 4 -5.717 9.298 -0.730
36 HE3 LYS 4 1HE LYS 4 -5.016 9.726 -2.289
37 HZ1 LYS 4 3HZ LYS 4 -6.001 7.162 -2.564
38 HZ2 LYS 4 1HZ LYS 4 -6.639 8.579 -3.223
39 HZ3 LYS 4 2HZ LYS 4 -7.196 8.018 -1.731
40 H GLY 5 H GLY 5 0.533 5.941 -5.123
41 HA2 GLY 5 2HA GLY 5 2.727 5.292 -4.966
42 HA3 GLY 5 1HA GLY 5 2.710 5.972 -3.348
43 H GLY 6 H GLY 6 0.665 3.376 -4.490
44 HA2 GLY 6 2HA GLY 6 2.181 1.187 -3.629
45 HA3 GLY 6 1HA GLY 6 1.183 1.712 -2.281
46 H SER 7 H SER 7 0.016 -0.255 -2.368
47 HA SER 7 HA SER 7 -2.036 -0.237 -4.460
48 HB2 SER 7 2HB SER 7 -0.328 -1.976 -5.007
49 HB3 SER 7 1HB SER 7 -0.675 -2.749 -3.463
50 HG SER 7 HG SER 7 -2.539 -3.463 -4.212
51 H CYS 8 H CYS 8 -3.939 -0.086 -3.545
52 HA CYS 8 HA CYS 8 -4.417 -0.033 -0.832
53 HB2 CYS 8 2HB CYS 8 -6.559 -0.839 -2.769
54 HB3 CYS 8 1HB CYS 8 -6.666 0.236 -1.387
55 H HIS 9 H HIS 9 -4.868 -1.461 0.682
56 HA HIS 9 HA HIS 9 -4.384 -4.222 0.276
57 HB2 HIS 9 2HB HIS 9 -4.643 -2.399 2.471
58 HB3 HIS 9 1HB HIS 9 -5.612 -3.826 2.795
59 HD1 HIS 9 1HD HIS 9 -4.311 -6.122 2.908
60 HD2 HIS 9 2HD HIS 9 -1.921 -2.731 2.660
61 HE1 HIS 9 1HE HIS 9 -2.007 -6.872 3.576
62 HE2 HIS 9 2HE HIS 9 -0.641 -4.758 3.637
63 H PHE 10 H PHE 10 -6.334 -3.956 -1.454
64 HA PHE 10 HA PHE 10 -8.924 -4.455 -0.284
65 HB2 PHE 10 2HB PHE 10 -9.394 -5.008 -2.838
66 HB3 PHE 10 1HB PHE 10 -9.263 -3.354 -2.261
67 HD1 PHE 10 1HD PHE 10 -6.943 -6.043 -3.430
68 HD2 PHE 10 2HD PHE 10 -8.072 -1.948 -3.569
69 HE1 PHE 10 1HE PHE 10 -5.134 -5.600 -5.042
70 HE2 PHE 10 2HE PHE 10 -6.270 -1.495 -5.180
71 HZ PHE 10 HZ PHE 10 -4.796 -3.321 -5.914
72 H GLY 11 H GLY 11 -7.039 -6.235 0.620
73 HA2 GLY 11 2HA GLY 11 -8.134 -8.631 0.767
74 HA3 GLY 11 1HA GLY 11 -7.424 -8.738 -0.840
75 H GLY 12 H GLY 12 -5.084 -7.392 -0.517
76 HA2 GLY 12 2HA GLY 12 -3.593 -8.094 1.777
77 HA3 GLY 12 1HA GLY 12 -3.368 -9.321 0.538
78 H CYS 13 H CYS 13 -1.329 -8.954 -0.105
79 HA CYS 13 HA CYS 13 -0.705 -7.023 -1.953
80 HB2 CYS 13 2HB CYS 13 -0.255 -6.138 0.844
81 HB3 CYS 13 1HB CYS 13 1.057 -5.830 -0.286
82 HA PRO 14 HA PRO 14 2.411 -10.070 -2.667
83 HB2 PRO 14 2HB PRO 14 4.013 -7.733 -3.609
84 HB3 PRO 14 1HB PRO 14 3.688 -9.273 -4.412
85 HG2 PRO 14 2HG PRO 14 2.412 -7.054 -5.145
86 HG3 PRO 14 1HG PRO 14 1.583 -8.620 -5.112
87 HD2 PRO 14 2HD PRO 14 1.362 -6.322 -3.238
88 HD3 PRO 14 1HD PRO 14 0.140 -7.513 -3.718
89 H SER 15 H SER 15 3.909 -10.943 -1.371
90 HA SER 15 HA SER 15 5.398 -11.196 0.326
91 HB2 SER 15 2HB SER 15 6.449 -8.530 -0.640
92 HB3 SER 15 1HB SER 15 7.342 -9.752 0.267
93 HG SER 15 HG SER 15 6.150 -10.358 -2.217
94 H HIS 16 H HIS 16 6.510 -8.413 1.398
95 HA HIS 16 HA HIS 16 4.323 -8.004 3.326
96 HB2 HIS 16 2HB HIS 16 6.166 -9.159 4.413
97 HB3 HIS 16 1HB HIS 16 7.307 -7.955 3.828
98 HD1 HIS 16 1HD HIS 16 7.596 -8.115 6.647
99 HD2 HIS 16 2HD HIS 16 4.418 -5.956 5.062
100 HE1 HIS 16 1HE HIS 16 6.884 -6.532 8.461
101 HE2 HIS 16 2HE HIS 16 5.068 -5.136 7.424
102 H LEU 17 H LEU 17 4.009 -6.453 1.304
103 HA LEU 17 HA LEU 17 5.541 -4.160 0.978
104 HB2 LEU 17 2HB LEU 17 2.540 -4.339 0.824
105 HB3 LEU 17 1HB LEU 17 3.529 -3.084 0.112
106 HG LEU 17 HG LEU 17 3.228 -5.939 -0.748
107 HD11 LEU 17 1HD1 LEU 17 1.585 -4.411 -1.610
108 HD12 LEU 17 2HD1 LEU 17 2.702 -4.847 -2.905
109 HD13 LEU 17 3HD1 LEU 17 2.845 -3.282 -2.106
110 HD21 LEU 17 3HD2 LEU 17 5.292 -3.987 -1.756
111 HD22 LEU 17 1HD2 LEU 17 4.994 -5.611 -2.370
112 HD23 LEU 17 2HD2 LEU 17 5.636 -5.390 -0.743
113 H ILE 18 H ILE 18 5.931 -2.434 2.226
114 HA ILE 18 HA ILE 18 4.750 -2.200 4.824
115 HB ILE 18 HB ILE 18 6.513 -0.272 3.298
116 HG12 ILE 18 2HG1 ILE 18 7.635 -2.384 3.766
117 HG13 ILE 18 1HG1 ILE 18 8.307 -1.109 4.774
118 HG21 ILE 18 1HG2 ILE 18 5.503 -0.238 6.126
119 HG22 ILE 18 2HG2 ILE 18 5.391 1.027 4.901
120 HG23 ILE 18 3HG2 ILE 18 6.949 0.642 5.630
121 HD11 ILE 18 3HD1 ILE 18 8.119 -2.880 6.235
122 HD12 ILE 18 1HD1 ILE 18 6.590 -3.424 5.546
123 HD13 ILE 18 2HD1 ILE 18 6.638 -1.975 6.550
124 H LYS 19 H LYS 19 2.951 -1.095 5.351
125 HA LYS 19 HA LYS 19 1.215 -0.099 3.415
126 HB2 LYS 19 2HB LYS 19 0.330 -0.805 5.516
127 HB3 LYS 19 1HB LYS 19 1.315 0.359 6.394
128 HG2 LYS 19 2HG LYS 19 0.026 2.186 5.530
129 HG3 LYS 19 1HG LYS 19 -0.861 1.111 4.456
130 HD2 LYS 19 2HD LYS 19 -2.211 1.672 6.399
131 HD3 LYS 19 1HD LYS 19 -1.806 -0.045 6.408
132 HE2 LYS 19 2HE LYS 19 -1.585 0.899 8.634
133 HE3 LYS 19 1HE LYS 19 -0.013 0.395 8.022
134 HZ1 LYS 19 3HZ LYS 19 0.747 2.451 8.246
135 HZ2 LYS 19 1HZ LYS 19 -0.699 2.874 9.011
136 HZ3 LYS 19 2HZ LYS 19 -0.526 3.097 7.346
137 H VAL 20 H VAL 20 1.474 1.586 2.182
138 HA VAL 20 HA VAL 20 3.212 3.777 2.799
139 HB VAL 20 HB VAL 20 1.132 3.680 0.606
140 HG11 VAL 20 1HG1 VAL 20 2.248 5.845 1.067
141 HG12 VAL 20 2HG1 VAL 20 2.559 5.218 -0.551
142 HG13 VAL 20 3HG1 VAL 20 3.793 5.083 0.697
143 HG21 VAL 20 3HG2 VAL 20 2.566 2.506 -0.808
144 HG22 VAL 20 1HG2 VAL 20 2.711 1.652 0.729
145 HG23 VAL 20 2HG2 VAL 20 3.961 2.787 0.232
146 H GLY 21 H GLY 21 -0.241 3.216 2.584
147 HA2 GLY 21 2HA GLY 21 -0.952 4.992 4.630
148 HA3 GLY 21 1HA GLY 21 -1.152 5.814 3.086
149 H SER 22 H SER 22 -3.385 5.909 3.185
150 HA SER 22 HA SER 22 -4.846 3.393 3.402
151 HB2 SER 22 2HB SER 22 -5.522 5.489 4.677
152 HB3 SER 22 1HB SER 22 -6.003 6.167 3.123
153 HG SER 22 HG SER 22 -7.111 4.024 4.568
154 H CYS 23 H CYS 23 -7.056 4.655 1.791
155 HA CYS 23 HA CYS 23 -6.215 5.120 -0.841
156 HB2 CYS 23 2HB CYS 23 -5.436 2.820 -0.862
157 HB3 CYS 23 1HB CYS 23 -6.977 2.252 -0.235
158 H PHE 24 H PHE 24 -8.710 2.990 0.482
159 HA PHE 24 HA PHE 24 -10.812 4.817 0.538
160 HB2 PHE 24 2HB PHE 24 -10.520 4.838 -1.936
161 HB3 PHE 24 1HB PHE 24 -10.787 3.099 -1.961
162 HD1 PHE 24 1HD PHE 24 -12.510 5.956 -0.283
163 HD2 PHE 24 2HD PHE 24 -12.828 2.597 -2.877
164 HE1 PHE 24 1HE PHE 24 -14.932 6.337 -0.473
165 HE2 PHE 24 2HE PHE 24 -15.249 2.975 -3.071
166 HZ PHE 24 HZ PHE 24 -16.303 4.845 -1.869
167 H GLY 25 H GLY 25 -12.603 3.848 1.493
168 HA2 GLY 25 2HA GLY 25 -13.761 2.221 2.633
169 HA3 GLY 25 1HA GLY 25 -13.207 1.099 1.396
170 H PHE 26 H PHE 26 -11.208 2.998 3.541
171 HA PHE 26 HA PHE 26 -9.627 2.467 5.057
172 HB2 PHE 26 2HB PHE 26 -11.526 0.189 5.644
173 HB3 PHE 26 1HB PHE 26 -10.153 0.632 6.656
174 HD1 PHE 26 1HD PHE 26 -13.171 2.190 5.102
175 HD2 PHE 26 2HD PHE 26 -10.520 2.042 8.429
176 HE1 PHE 26 1HE PHE 26 -14.555 3.847 6.275
177 HE2 PHE 26 2HE PHE 26 -11.905 3.693 9.610
178 HZ PHE 26 HZ PHE 26 -13.927 4.597 8.534
179 H ARG 27 H ARG 27 -9.147 1.636 2.448
180 HA ARG 27 HA ARG 27 -7.805 -0.961 2.725
181 HB2 ARG 27 2HB ARG 27 -8.407 0.735 0.294
182 HB3 ARG 27 1HB ARG 27 -7.479 -0.758 0.246
183 HG2 ARG 27 2HG ARG 27 -9.356 -2.048 0.904
184 HG3 ARG 27 1HG ARG 27 -10.292 -0.605 1.291
185 HD2 ARG 27 2HD ARG 27 -9.454 -0.369 -1.400
186 HD3 ARG 27 1HD ARG 27 -10.082 -2.003 -1.186
187 HE ARG 27 HE ARG 27 -11.824 -0.123 -0.004
188 HH11 ARG 27 1HH1 ARG 27 -10.811 -1.313 -3.131
189 HH12 ARG 27 2HH1 ARG 27 -12.313 -0.934 -3.902
190 HH21 ARG 27 1HH2 ARG 27 -13.821 0.363 -1.026
191 HH22 ARG 27 2HH2 ARG 27 -14.015 0.037 -2.720
192 H SER 28 H SER 28 -5.720 -0.937 3.255
193 HA SER 28 HA SER 28 -4.245 1.531 3.190
194 HB2 SER 28 2HB SER 28 -2.426 0.064 4.205
195 HB3 SER 28 1HB SER 28 -3.915 0.225 5.133
196 HG SER 28 HG SER 28 -4.387 -1.818 4.767
197 H CYS 29 H CYS 29 -2.959 2.210 1.604
198 HA CYS 29 HA CYS 29 -2.407 0.519 -0.651
199 HB2 CYS 29 2HB CYS 29 -1.925 3.389 0.045
200 HB3 CYS 29 1HB CYS 29 -1.020 2.670 -1.273
201 H CYS 30 H CYS 30 -0.931 -1.047 -0.306
202 HA CYS 30 HA CYS 30 1.379 -0.599 1.377
203 HB2 CYS 30 2HB CYS 30 1.413 -3.064 -0.150
204 HB3 CYS 30 1HB CYS 30 1.414 -2.825 1.591
205 H LYS 31 H LYS 31 3.533 -0.854 0.763
206 HA LYS 31 HA LYS 31 4.199 -0.829 -2.088
207 HB2 LYS 31 2HB LYS 31 4.151 1.523 -1.443
208 HB3 LYS 31 1HB LYS 31 5.211 1.203 -0.082
209 HG2 LYS 31 2HG LYS 31 6.898 0.430 -1.823
210 HG3 LYS 31 1HG LYS 31 5.842 1.178 -3.012
211 HD2 LYS 31 2HD LYS 31 7.115 2.560 -0.651
212 HD3 LYS 31 1HD LYS 31 7.646 2.682 -2.328
213 HE2 LYS 31 2HE LYS 31 5.516 3.671 -2.940
214 HE3 LYS 31 1HE LYS 31 4.959 3.521 -1.280
215 HZ1 LYS 31 3HZ LYS 31 7.278 5.151 -2.148
216 HZ2 LYS 31 1HZ LYS 31 6.673 5.042 -0.576
217 HZ3 LYS 31 2HZ LYS 31 5.747 5.763 -1.789
218 H TRP 32 H TRP 32 6.327 -1.614 -2.472
219 HA TRP 32 HA TRP 32 7.128 -3.659 -0.746
220 HB2 TRP 32 2HB TRP 32 8.750 -2.290 -2.898
221 HB3 TRP 32 1HB TRP 32 9.159 -3.825 -2.139
222 HD1 TRP 32 HD TRP 32 6.283 -2.314 -4.259
223 HE1 TRP 32 1HE TRP 32 5.288 -4.199 -5.699
224 HE3 TRP 32 3HE TRP 32 9.033 -6.230 -2.473
225 HZ2 TRP 32 2HZ TRP 32 5.623 -6.984 -6.028
226 HZ3 TRP 32 3HZ TRP 32 8.633 -8.473 -3.399
227 HH2 TRP 32 HH TRP 32 6.964 -8.840 -5.138
228 HA PRO 33 HA PRO 33 9.232 -1.549 2.524
229 HB2 PRO 33 2HB PRO 33 11.008 -3.942 2.496
230 HB3 PRO 33 1HB PRO 33 10.119 -3.217 3.840
231 HG2 PRO 33 2HG PRO 33 9.280 -5.479 2.710
232 HG3 PRO 33 1HG PRO 33 8.130 -4.248 3.257
233 HD2 PRO 33 2HD PRO 33 9.023 -4.917 0.489
234 HD3 PRO 33 1HD PRO 33 7.431 -4.391 1.069
235 H TRP 34 H TRP 34 11.186 -3.319 0.174
236 HA TRP 34 HA TRP 34 13.426 -1.530 0.456
237 HB2 TRP 34 2HB TRP 34 14.382 -2.985 -1.370
238 HB3 TRP 34 1HB TRP 34 13.913 -3.820 0.090
239 HD1 TRP 34 HD TRP 34 11.825 -2.947 -3.098
240 HE1 TRP 34 1HE TRP 34 10.691 -5.133 -3.870
241 HE3 TRP 34 3HE TRP 34 13.749 -6.079 0.391
242 HZ2 TRP 34 2HZ TRP 34 10.629 -7.851 -3.060
243 HZ3 TRP 34 3HZ TRP 34 13.111 -8.463 0.359
244 HH2 TRP 34 HH TRP 34 11.580 -9.326 -1.337
245 H ASN 35 H ASN 35 11.117 -0.197 -0.274
246 HA ASN 35 HA ASN 35 11.015 0.290 -3.088
247 HB2 ASN 35 2HB ASN 35 9.510 2.166 -2.474
248 HB3 ASN 35 1HB ASN 35 9.017 0.629 -1.779
249 HD21 ASN 35 1HD2 ASN 35 8.410 0.730 0.250
250 HD22 ASN 35 2HD2 ASN 35 8.926 1.894 1.421
251 H ALA 36 H ALA 36 13.620 0.573 -2.471
252 HA ALA 36 HA ALA 36 14.079 3.368 -3.113
253 HB1 ALA 36 1HB ALA 36 15.938 2.292 -1.076
254 HB2 ALA 36 2HB ALA 36 14.328 2.743 -0.517
255 HB3 ALA 36 3HB ALA 36 15.349 3.936 -1.320
Start of MODEL 6
1 H1 LEU 1 1HT LEU 1 3.157 3.147 -7.268
2 H2 LEU 1 2HT LEU 1 2.137 2.745 -8.550
3 H3 LEU 1 3HT LEU 1 3.305 1.646 -8.029
4 HA LEU 1 HA LEU 1 1.547 0.741 -6.981
5 HB2 LEU 1 2HB LEU 1 2.348 3.023 -5.165
6 HB3 LEU 1 1HB LEU 1 1.386 1.657 -4.662
7 HG LEU 1 HG LEU 1 3.595 1.288 -3.888
8 HD11 LEU 1 2HD1 LEU 1 2.409 -0.661 -4.835
9 HD12 LEU 1 3HD1 LEU 1 4.165 -0.806 -4.902
10 HD13 LEU 1 1HD1 LEU 1 3.258 -0.400 -6.358
11 HD21 LEU 1 1HD2 LEU 1 4.507 1.850 -6.702
12 HD22 LEU 1 2HD2 LEU 1 5.532 1.200 -5.428
13 HD23 LEU 1 3HD2 LEU 1 4.831 2.809 -5.262
14 H PHE 2 H PHE 2 -0.635 0.706 -6.919
15 HA PHE 2 HA PHE 2 -2.143 2.836 -7.998
16 HB2 PHE 2 2HB PHE 2 -2.771 0.461 -8.217
17 HB3 PHE 2 1HB PHE 2 -3.111 0.398 -6.493
18 HD1 PHE 2 1HD PHE 2 -4.007 2.672 -9.321
19 HD2 PHE 2 2HD PHE 2 -5.346 0.371 -5.999
20 HE1 PHE 2 1HE PHE 2 -6.318 3.396 -9.754
21 HE2 PHE 2 2HE PHE 2 -7.657 1.092 -6.430
22 HZ PHE 2 HZ PHE 2 -8.146 2.604 -8.308
23 H CYS 3 H CYS 3 -1.205 4.377 -6.334
24 HA CYS 3 HA CYS 3 -3.085 5.602 -4.832
25 HB2 CYS 3 2HB CYS 3 -3.412 3.812 -3.317
26 HB3 CYS 3 1HB CYS 3 -1.693 3.471 -3.238
27 H LYS 4 H LYS 4 -0.724 6.100 -6.379
28 HA LYS 4 HA LYS 4 1.292 7.207 -6.347
29 HB2 LYS 4 2HB LYS 4 -0.547 8.917 -6.143
30 HB3 LYS 4 1HB LYS 4 -0.266 8.931 -4.410
31 HG2 LYS 4 2HG LYS 4 2.046 9.693 -4.823
32 HG3 LYS 4 1HG LYS 4 1.692 9.743 -6.550
33 HD2 LYS 4 2HD LYS 4 0.292 11.342 -4.407
34 HD3 LYS 4 1HD LYS 4 1.497 11.960 -5.537
35 HE2 LYS 4 2HE LYS 4 0.019 11.436 -7.409
36 HE3 LYS 4 1HE LYS 4 -1.182 10.793 -6.292
37 HZ1 LYS 4 3HZ LYS 4 -2.005 12.848 -6.371
38 HZ2 LYS 4 1HZ LYS 4 -0.575 13.526 -6.966
39 HZ3 LYS 4 2HZ LYS 4 -0.755 13.253 -5.309
40 H GLY 5 H GLY 5 1.307 5.050 -4.543
41 HA2 GLY 5 2HA GLY 5 3.562 5.587 -3.019
42 HA3 GLY 5 1HA GLY 5 2.180 5.809 -1.961
43 H GLY 6 H GLY 6 0.491 3.746 -2.734
44 HA2 GLY 6 2HA GLY 6 2.010 1.279 -2.824
45 HA3 GLY 6 1HA GLY 6 1.308 1.617 -1.257
46 H SER 7 H SER 7 0.856 -0.372 -3.595
47 HA SER 7 HA SER 7 -1.683 -0.076 -4.669
48 HB2 SER 7 2HB SER 7 -1.676 -2.646 -4.621
49 HB3 SER 7 1HB SER 7 -0.339 -1.867 -5.465
50 HG SER 7 HG SER 7 0.242 -2.177 -2.848
51 H CYS 8 H CYS 8 -3.453 0.434 -3.533
52 HA CYS 8 HA CYS 8 -3.874 0.191 -0.847
53 HB2 CYS 8 2HB CYS 8 -5.890 0.164 -3.082
54 HB3 CYS 8 1HB CYS 8 -6.300 0.358 -1.386
55 H HIS 9 H HIS 9 -4.382 -1.282 0.541
56 HA HIS 9 HA HIS 9 -4.106 -3.996 0.054
57 HB2 HIS 9 2HB HIS 9 -4.528 -2.282 2.300
58 HB3 HIS 9 1HB HIS 9 -5.572 -3.683 2.455
59 HD1 HIS 9 1HD HIS 9 -4.365 -6.026 2.640
60 HD2 HIS 9 2HD HIS 9 -1.835 -2.725 2.734
61 HE1 HIS 9 1HE HIS 9 -2.166 -6.884 3.495
62 HE2 HIS 9 2HE HIS 9 -0.671 -4.863 3.614
63 H PHE 10 H PHE 10 -5.596 -4.248 -1.764
64 HA PHE 10 HA PHE 10 -8.429 -4.235 -1.316
65 HB2 PHE 10 2HB PHE 10 -6.633 -5.218 -3.520
66 HB3 PHE 10 1HB PHE 10 -8.332 -5.662 -3.507
67 HD1 PHE 10 1HD PHE 10 -7.199 -2.383 -2.297
68 HD2 PHE 10 2HD PHE 10 -8.792 -4.573 -5.580
69 HE1 PHE 10 1HE PHE 10 -7.769 -0.275 -3.426
70 HE2 PHE 10 2HE PHE 10 -9.362 -2.468 -6.710
71 HZ PHE 10 HZ PHE 10 -8.853 -0.316 -5.635
72 H GLY 11 H GLY 11 -7.214 -5.655 0.719
73 HA2 GLY 11 2HA GLY 11 -7.303 -7.633 1.860
74 HA3 GLY 11 1HA GLY 11 -8.697 -7.993 0.854
75 H GLY 12 H GLY 12 -5.409 -7.496 -0.337
76 HA2 GLY 12 2HA GLY 12 -4.794 -10.282 -0.503
77 HA3 GLY 12 1HA GLY 12 -5.371 -9.657 -2.038
78 H CYS 13 H CYS 13 -3.392 -7.925 0.328
79 HA CYS 13 HA CYS 13 -1.425 -7.426 -1.751
80 HB2 CYS 13 2HB CYS 13 -1.769 -6.352 1.039
81 HB3 CYS 13 1HB CYS 13 -0.337 -6.013 0.078
82 HA PRO 14 HA PRO 14 1.180 -10.815 -0.579
83 HB2 PRO 14 2HB PRO 14 3.374 -9.037 -1.504
84 HB3 PRO 14 1HB PRO 14 2.964 -10.678 -2.013
85 HG2 PRO 14 2HG PRO 14 2.448 -8.570 -3.572
86 HG3 PRO 14 1HG PRO 14 1.347 -9.957 -3.495
87 HD2 PRO 14 2HD PRO 14 1.085 -7.254 -2.259
88 HD3 PRO 14 1HD PRO 14 -0.165 -8.314 -2.940
89 H SER 15 H SER 15 2.288 -11.347 1.228
90 HA SER 15 HA SER 15 3.089 -11.134 3.345
91 HB2 SER 15 2HB SER 15 5.113 -10.654 2.031
92 HB3 SER 15 1HB SER 15 4.699 -8.940 2.010
93 HG SER 15 HG SER 15 5.946 -10.388 3.929
94 H HIS 16 H HIS 16 4.185 -8.345 4.148
95 HA HIS 16 HA HIS 16 1.597 -7.137 4.887
96 HB2 HIS 16 2HB HIS 16 2.587 -6.583 7.076
97 HB3 HIS 16 1HB HIS 16 2.547 -8.322 6.807
98 HD1 HIS 16 1HD HIS 16 5.035 -5.447 6.551
99 HD2 HIS 16 2HD HIS 16 4.938 -9.555 7.134
100 HE1 HIS 16 1HE HIS 16 7.401 -6.110 7.061
101 HE2 HIS 16 2HE HIS 16 7.280 -8.564 7.600
102 H LEU 17 H LEU 17 2.903 -6.312 2.659
103 HA LEU 17 HA LEU 17 4.863 -4.498 2.583
104 HB2 LEU 17 2HB LEU 17 2.183 -3.864 1.380
105 HB3 LEU 17 1HB LEU 17 3.757 -3.390 0.785
106 HG LEU 17 HG LEU 17 2.515 -6.123 0.716
107 HD11 LEU 17 1HD1 LEU 17 3.415 -4.183 -1.393
108 HD12 LEU 17 2HD1 LEU 17 1.780 -4.764 -1.078
109 HD13 LEU 17 3HD1 LEU 17 2.997 -5.864 -1.724
110 HD21 LEU 17 3HD2 LEU 17 5.372 -5.313 0.253
111 HD22 LEU 17 1HD2 LEU 17 4.676 -6.779 -0.438
112 HD23 LEU 17 2HD2 LEU 17 4.750 -6.579 1.314
113 H ILE 18 H ILE 18 5.309 -2.456 3.233
114 HA ILE 18 HA ILE 18 4.155 -1.421 5.518
115 HB ILE 18 HB ILE 18 5.281 0.744 4.908
116 HG12 ILE 18 2HG1 ILE 18 6.220 -0.835 2.506
117 HG13 ILE 18 1HG1 ILE 18 5.073 0.499 2.446
118 HG21 ILE 18 1HG2 ILE 18 7.462 -0.074 5.339
119 HG22 ILE 18 2HG2 ILE 18 7.093 -1.639 4.614
120 HG23 ILE 18 3HG2 ILE 18 6.344 -1.176 6.144
121 HD11 ILE 18 3HD1 ILE 18 6.854 1.962 3.393
122 HD12 ILE 18 1HD1 ILE 18 7.204 1.314 1.790
123 HD13 ILE 18 2HD1 ILE 18 7.975 0.613 3.213
124 H LYS 19 H LYS 19 2.452 -0.229 5.959
125 HA LYS 19 HA LYS 19 0.521 0.362 3.943
126 HB2 LYS 19 2HB LYS 19 -0.279 -0.300 6.093
127 HB3 LYS 19 1HB LYS 19 0.658 0.950 6.899
128 HG2 LYS 19 2HG LYS 19 -0.763 2.667 6.013
129 HG3 LYS 19 1HG LYS 19 -1.612 1.503 5.003
130 HD2 LYS 19 2HD LYS 19 -2.911 2.099 6.982
131 HD3 LYS 19 1HD LYS 19 -2.475 0.392 6.993
132 HE2 LYS 19 2HE LYS 19 -0.919 2.511 8.462
133 HE3 LYS 19 1HE LYS 19 -2.242 1.606 9.189
134 HZ1 LYS 19 3HZ LYS 19 -0.813 0.010 9.667
135 HZ2 LYS 19 1HZ LYS 19 0.446 0.849 8.915
136 HZ3 LYS 19 2HZ LYS 19 -0.502 -0.235 8.028
137 H VAL 20 H VAL 20 2.038 1.693 2.685
138 HA VAL 20 HA VAL 20 2.765 4.282 3.685
139 HB VAL 20 HB VAL 20 3.423 4.726 1.295
140 HG11 VAL 20 1HG1 VAL 20 4.511 2.671 3.092
141 HG12 VAL 20 2HG1 VAL 20 5.297 4.063 2.348
142 HG13 VAL 20 3HG1 VAL 20 5.078 2.577 1.425
143 HG21 VAL 20 3HG2 VAL 20 2.691 1.823 0.911
144 HG22 VAL 20 1HG2 VAL 20 3.433 2.887 -0.278
145 HG23 VAL 20 2HG2 VAL 20 1.784 3.187 0.260
146 H GLY 21 H GLY 21 0.118 4.057 4.126
147 HA2 GLY 21 2HA GLY 21 -1.339 6.039 3.803
148 HA3 GLY 21 1HA GLY 21 -1.106 5.801 2.076
149 H SER 22 H SER 22 -3.448 5.677 1.914
150 HA SER 22 HA SER 22 -4.368 3.034 1.785
151 HB2 SER 22 2HB SER 22 -6.186 3.240 3.555
152 HB3 SER 22 1HB SER 22 -4.551 2.982 4.146
153 HG SER 22 HG SER 22 -4.411 5.229 4.539
154 H CYS 23 H CYS 23 -6.138 2.875 0.554
155 HA CYS 23 HA CYS 23 -7.063 5.140 -0.855
156 HB2 CYS 23 2HB CYS 23 -7.898 2.271 -0.700
157 HB3 CYS 23 1HB CYS 23 -9.001 3.420 -1.444
158 H PHE 24 H PHE 24 -8.326 3.324 1.874
159 HA PHE 24 HA PHE 24 -9.709 5.512 2.965
160 HB2 PHE 24 2HB PHE 24 -11.285 5.129 1.138
161 HB3 PHE 24 1HB PHE 24 -11.458 3.445 1.613
162 HD1 PHE 24 1HD PHE 24 -11.431 6.573 3.637
163 HD2 PHE 24 2HD PHE 24 -13.631 3.164 2.351
164 HE1 PHE 24 1HE PHE 24 -13.265 7.190 5.147
165 HE2 PHE 24 2HE PHE 24 -15.472 3.781 3.859
166 HZ PHE 24 HZ PHE 24 -15.292 5.796 5.261
167 H GLY 25 H GLY 25 -7.969 4.067 4.161
168 HA2 GLY 25 2HA GLY 25 -7.777 3.092 6.273
169 HA3 GLY 25 1HA GLY 25 -9.474 2.638 6.192
170 H PHE 26 H PHE 26 -9.802 0.541 6.111
171 HA PHE 26 HA PHE 26 -8.283 -1.557 6.199
172 HB2 PHE 26 2HB PHE 26 -10.629 -1.896 5.986
173 HB3 PHE 26 1HB PHE 26 -10.645 -1.253 4.347
174 HD1 PHE 26 1HD PHE 26 -8.710 -3.904 6.141
175 HD2 PHE 26 2HD PHE 26 -11.081 -2.845 2.768
176 HE1 PHE 26 1HE PHE 26 -8.432 -6.175 5.237
177 HE2 PHE 26 2HE PHE 26 -10.809 -5.115 1.860
178 HZ PHE 26 HZ PHE 26 -9.483 -6.782 3.093
179 H ARG 27 H ARG 27 -8.945 -0.062 3.045
180 HA ARG 27 HA ARG 27 -7.108 -1.748 1.658
181 HB2 ARG 27 2HB ARG 27 -8.452 0.817 0.811
182 HB3 ARG 27 1HB ARG 27 -7.483 -0.196 -0.236
183 HG2 ARG 27 2HG ARG 27 -9.075 -2.058 0.232
184 HG3 ARG 27 1HG ARG 27 -10.112 -0.865 1.019
185 HD2 ARG 27 2HD ARG 27 -9.973 0.468 -1.125
186 HD3 ARG 27 1HD ARG 27 -9.225 -0.947 -1.852
187 HE ARG 27 HE ARG 27 -11.610 -1.738 -0.622
188 HH11 ARG 27 1HH1 ARG 27 -10.547 0.184 -3.349
189 HH12 ARG 27 2HH1 ARG 27 -11.968 -0.143 -4.288
190 HH21 ARG 27 1HH2 ARG 27 -13.467 -2.164 -1.853
191 HH22 ARG 27 2HH2 ARG 27 -13.627 -1.475 -3.436
192 H SER 28 H SER 28 -5.498 -1.074 3.493
193 HA SER 28 HA SER 28 -4.133 1.346 3.419
194 HB2 SER 28 2HB SER 28 -2.197 -0.208 4.287
195 HB3 SER 28 1HB SER 28 -3.638 0.041 5.272
196 HG SER 28 HG SER 28 -3.669 -2.070 5.235
197 H CYS 29 H CYS 29 -2.749 2.225 2.014
198 HA CYS 29 HA CYS 29 -2.240 1.084 -0.494
199 HB2 CYS 29 2HB CYS 29 -0.846 3.378 0.900
200 HB3 CYS 29 1HB CYS 29 -0.717 3.014 -0.818
201 H CYS 30 H CYS 30 -1.312 -0.861 -0.413
202 HA CYS 30 HA CYS 30 0.943 -1.526 1.195
203 HB2 CYS 30 2HB CYS 30 0.114 -3.144 -1.182
204 HB3 CYS 30 1HB CYS 30 0.648 -3.682 0.399
205 H LYS 31 H LYS 31 3.068 -1.549 0.691
206 HA LYS 31 HA LYS 31 3.952 -1.604 -2.043
207 HB2 LYS 31 2HB LYS 31 3.694 0.811 -1.770
208 HB3 LYS 31 1HB LYS 31 4.704 0.777 -0.330
209 HG2 LYS 31 2HG LYS 31 6.594 0.010 -1.673
210 HG3 LYS 31 1HG LYS 31 5.573 0.004 -3.111
211 HD2 LYS 31 2HD LYS 31 7.034 1.976 -2.982
212 HD3 LYS 31 1HD LYS 31 5.332 2.400 -2.999
213 HE2 LYS 31 2HE LYS 31 5.377 2.773 -0.604
214 HE3 LYS 31 1HE LYS 31 7.053 2.234 -0.529
215 HZ1 LYS 31 3HZ LYS 31 7.275 4.502 -0.590
216 HZ2 LYS 31 1HZ LYS 31 5.956 4.732 -1.618
217 HZ3 LYS 31 2HZ LYS 31 7.411 4.131 -2.230
218 H TRP 32 H TRP 32 6.035 -2.313 -2.252
219 HA TRP 32 HA TRP 32 6.990 -3.936 -0.160
220 HB2 TRP 32 2HB TRP 32 8.549 -3.019 -2.582
221 HB3 TRP 32 1HB TRP 32 8.857 -4.445 -1.600
222 HD1 TRP 32 HD TRP 32 6.245 -3.088 -4.098
223 HE1 TRP 32 1HE TRP 32 5.070 -5.093 -5.204
224 HE3 TRP 32 3HE TRP 32 8.353 -6.862 -1.369
225 HZ2 TRP 32 2HZ TRP 32 5.036 -7.905 -4.943
226 HZ3 TRP 32 3HZ TRP 32 7.692 -9.182 -1.857
227 HH2 TRP 32 HH TRP 32 6.067 -9.690 -3.608
228 HA PRO 33 HA PRO 33 9.141 -1.162 2.521
229 HB2 PRO 33 2HB PRO 33 11.219 -3.314 2.426
230 HB3 PRO 33 1HB PRO 33 10.530 -2.480 3.824
231 HG2 PRO 33 2HG PRO 33 9.753 -4.951 3.171
232 HG3 PRO 33 1HG PRO 33 8.605 -3.761 3.810
233 HD2 PRO 33 2HD PRO 33 8.909 -4.803 1.052
234 HD3 PRO 33 1HD PRO 33 7.469 -4.167 1.870
235 H TRP 34 H TRP 34 11.283 -2.941 0.298
236 HA TRP 34 HA TRP 34 12.762 -0.460 -0.176
237 HB2 TRP 34 2HB TRP 34 14.303 -2.242 -1.405
238 HB3 TRP 34 1HB TRP 34 14.388 -1.950 0.320
239 HD1 TRP 34 HD TRP 34 14.922 -4.197 1.354
240 HE1 TRP 34 1HE TRP 34 13.968 -6.579 1.221
241 HE3 TRP 34 3HE TRP 34 11.482 -3.496 -2.370
242 HZ2 TRP 34 2HZ TRP 34 12.023 -7.974 -0.258
243 HZ3 TRP 34 3HZ TRP 34 10.121 -5.412 -3.084
244 HH2 TRP 34 HH TRP 34 10.387 -7.605 -2.049
245 H ASN 35 H ASN 35 10.270 -0.642 -1.320
246 HA ASN 35 HA ASN 35 10.225 -1.585 -3.972
247 HB2 ASN 35 2HB ASN 35 8.171 -0.957 -2.816
248 HB3 ASN 35 1HB ASN 35 8.705 0.718 -2.728
249 HD21 ASN 35 1HD2 ASN 35 8.180 2.045 -4.348
250 HD22 ASN 35 2HD2 ASN 35 7.490 1.550 -5.856
251 H ALA 36 H ALA 36 11.384 1.361 -2.531
252 HA ALA 36 HA ALA 36 12.819 2.952 -3.298
253 HB1 ALA 36 1HB ALA 36 13.632 0.929 -4.771
254 HB2 ALA 36 2HB ALA 36 14.163 2.573 -5.117
255 HB3 ALA 36 3HB ALA 36 12.866 1.849 -6.066
Start of MODEL 7
1 H1 LEU 1 1HT LEU 1 7.363 8.520 -2.337
2 H2 LEU 1 2HT LEU 1 8.190 7.224 -1.637
3 H3 LEU 1 3HT LEU 1 7.637 8.491 -0.673
4 HA LEU 1 HA LEU 1 5.604 7.176 -2.237
5 HB2 LEU 1 2HB LEU 1 7.092 5.799 -0.003
6 HB3 LEU 1 1HB LEU 1 5.472 5.342 -0.485
7 HG LEU 1 HG LEU 1 6.952 3.806 -1.516
8 HD11 LEU 1 2HD1 LEU 1 5.121 5.097 -2.917
9 HD12 LEU 1 3HD1 LEU 1 6.180 3.892 -3.651
10 HD13 LEU 1 1HD1 LEU 1 6.537 5.609 -3.835
11 HD21 LEU 1 1HD2 LEU 1 8.921 4.295 -2.632
12 HD22 LEU 1 2HD2 LEU 1 8.938 5.435 -1.287
13 HD23 LEU 1 3HD2 LEU 1 8.475 5.979 -2.900
14 H PHE 2 H PHE 2 3.631 7.557 -1.328
15 HA PHE 2 HA PHE 2 3.321 8.416 1.390
16 HB2 PHE 2 2HB PHE 2 2.339 10.666 0.684
17 HB3 PHE 2 1HB PHE 2 4.091 10.523 0.631
18 HD1 PHE 2 2HD PHE 2 1.159 9.971 -1.634
19 HD2 PHE 2 1HD PHE 2 5.153 11.374 -1.204
20 HE1 PHE 2 2HE PHE 2 1.154 10.689 -3.980
21 HE2 PHE 2 1HE PHE 2 5.153 12.099 -3.553
22 HZ PHE 2 HZ PHE 2 3.152 11.755 -4.946
23 H CYS 3 H CYS 3 2.282 6.362 -0.280
24 HA CYS 3 HA CYS 3 0.327 5.264 -0.608
25 HB2 CYS 3 2HB CYS 3 -0.248 6.404 1.603
26 HB3 CYS 3 1HB CYS 3 -1.092 7.613 0.649
27 H LYS 4 H LYS 4 -2.137 6.026 -1.453
28 HA LYS 4 HA LYS 4 -3.108 6.400 -3.503
29 HB2 LYS 4 2HB LYS 4 -3.432 8.502 -2.183
30 HB3 LYS 4 1HB LYS 4 -2.015 9.170 -2.977
31 HG2 LYS 4 2HG LYS 4 -3.114 9.079 -5.118
32 HG3 LYS 4 1HG LYS 4 -4.495 8.246 -4.413
33 HD2 LYS 4 2HD LYS 4 -5.035 10.577 -4.723
34 HD3 LYS 4 1HD LYS 4 -4.922 10.229 -2.997
35 HE2 LYS 4 2HE LYS 4 -2.640 11.142 -2.981
36 HE3 LYS 4 1HE LYS 4 -2.787 11.514 -4.697
37 HZ1 LYS 4 3HZ LYS 4 -4.696 12.948 -4.114
38 HZ2 LYS 4 1HZ LYS 4 -3.236 13.475 -3.450
39 HZ3 LYS 4 2HZ LYS 4 -4.369 12.682 -2.482
40 H GLY 5 H GLY 5 -0.814 5.164 -3.984
41 HA2 GLY 5 2HA GLY 5 -0.172 5.845 -6.623
42 HA3 GLY 5 1HA GLY 5 1.084 6.496 -5.575
43 H GLY 6 H GLY 6 -0.801 3.494 -5.463
44 HA2 GLY 6 2HA GLY 6 1.191 1.762 -6.354
45 HA3 GLY 6 1HA GLY 6 1.393 1.927 -4.618
46 H SER 7 H SER 7 0.929 -0.390 -4.626
47 HA SER 7 HA SER 7 -1.694 -1.272 -5.346
48 HB2 SER 7 2HB SER 7 0.422 -2.652 -3.683
49 HB3 SER 7 1HB SER 7 -0.995 -3.417 -4.404
50 HG SER 7 HG SER 7 -0.126 -3.242 -6.373
51 H CYS 8 H CYS 8 -3.319 -0.363 -4.234
52 HA CYS 8 HA CYS 8 -3.202 0.160 -1.414
53 HB2 CYS 8 2HB CYS 8 -5.692 0.061 -3.111
54 HB3 CYS 8 1HB CYS 8 -5.403 0.994 -1.651
55 H HIS 9 H HIS 9 -4.277 -0.995 0.239
56 HA HIS 9 HA HIS 9 -4.208 -3.764 0.028
57 HB2 HIS 9 2HB HIS 9 -5.211 -1.895 2.077
58 HB3 HIS 9 1HB HIS 9 -5.794 -3.547 2.178
59 HD1 HIS 9 1HD HIS 9 -4.466 -3.900 4.384
60 HD2 HIS 9 2HD HIS 9 -2.138 -2.935 1.092
61 HE1 HIS 9 1HE HIS 9 -2.099 -4.368 5.080
62 HE2 HIS 9 2HE HIS 9 -0.738 -3.999 2.991
63 H PHE 10 H PHE 10 -5.476 -3.945 -2.015
64 HA PHE 10 HA PHE 10 -8.359 -3.929 -1.678
65 HB2 PHE 10 2HB PHE 10 -6.501 -4.305 -3.984
66 HB3 PHE 10 1HB PHE 10 -8.093 -5.048 -4.084
67 HD1 PHE 10 1HD PHE 10 -6.620 -1.760 -3.090
68 HD2 PHE 10 2HD PHE 10 -9.713 -3.841 -5.137
69 HE1 PHE 10 1HE PHE 10 -7.589 0.387 -3.802
70 HE2 PHE 10 2HE PHE 10 -10.685 -1.701 -5.853
71 HZ PHE 10 HZ PHE 10 -9.622 0.416 -5.187
72 H GLY 11 H GLY 11 -6.879 -5.548 0.065
73 HA2 GLY 11 2HA GLY 11 -6.875 -7.677 0.927
74 HA3 GLY 11 1HA GLY 11 -8.280 -7.974 -0.088
75 H GLY 12 H GLY 12 -4.967 -7.163 -1.066
76 HA2 GLY 12 2HA GLY 12 -4.185 -9.793 -1.735
77 HA3 GLY 12 1HA GLY 12 -4.884 -9.026 -3.152
78 H CYS 13 H CYS 13 -2.755 -7.848 -0.545
79 HA CYS 13 HA CYS 13 -1.170 -6.371 -2.421
80 HB2 CYS 13 2HB CYS 13 -1.164 -6.741 0.538
81 HB3 CYS 13 1HB CYS 13 0.318 -6.172 -0.223
82 HA PRO 14 HA PRO 14 1.770 -9.246 -3.967
83 HB2 PRO 14 2HB PRO 14 3.729 -7.260 -2.881
84 HB3 PRO 14 1HB PRO 14 3.697 -8.056 -4.457
85 HG2 PRO 14 2HG PRO 14 2.835 -5.529 -4.117
86 HG3 PRO 14 1HG PRO 14 2.110 -6.626 -5.300
87 HD2 PRO 14 2HD PRO 14 0.994 -5.591 -2.791
88 HD3 PRO 14 1HD PRO 14 0.164 -6.328 -4.172
89 H SER 15 H SER 15 2.531 -7.805 -0.797
90 HA SER 15 HA SER 15 2.786 -10.337 0.448
91 HB2 SER 15 2HB SER 15 4.928 -10.251 -0.864
92 HB3 SER 15 1HB SER 15 5.380 -8.823 0.059
93 HG SER 15 HG SER 15 4.909 -11.442 1.058
94 H HIS 16 H HIS 16 4.745 -9.412 2.402
95 HA HIS 16 HA HIS 16 2.982 -7.958 4.117
96 HB2 HIS 16 2HB HIS 16 4.769 -8.129 5.770
97 HB3 HIS 16 1HB HIS 16 4.518 -9.675 4.972
98 HD1 HIS 16 1HD HIS 16 6.885 -6.704 4.778
99 HD2 HIS 16 2HD HIS 16 6.790 -10.781 3.983
100 HE1 HIS 16 1HE HIS 16 9.225 -7.313 4.101
101 HE2 HIS 16 2HE HIS 16 9.121 -9.762 3.524
102 H LEU 17 H LEU 17 3.424 -6.414 1.881
103 HA LEU 17 HA LEU 17 5.464 -4.507 2.103
104 HB2 LEU 17 2HB LEU 17 2.708 -4.144 0.930
105 HB3 LEU 17 1HB LEU 17 4.116 -3.162 0.585
106 HG LEU 17 HG LEU 17 3.720 -6.058 -0.173
107 HD11 LEU 17 1HD1 LEU 17 2.479 -4.791 -1.676
108 HD12 LEU 17 2HD1 LEU 17 4.029 -5.003 -2.489
109 HD13 LEU 17 3HD1 LEU 17 3.654 -3.476 -1.691
110 HD21 LEU 17 3HD2 LEU 17 6.063 -5.567 0.437
111 HD22 LEU 17 1HD2 LEU 17 6.074 -4.267 -0.754
112 HD23 LEU 17 2HD2 LEU 17 5.864 -5.937 -1.275
113 H ILE 18 H ILE 18 5.632 -2.628 3.219
114 HA ILE 18 HA ILE 18 4.098 -2.302 5.569
115 HB ILE 18 HB ILE 18 5.304 -0.141 5.828
116 HG12 ILE 18 2HG1 ILE 18 6.644 -0.901 3.225
117 HG13 ILE 18 1HG1 ILE 18 5.466 0.394 3.399
118 HG21 ILE 18 1HG2 ILE 18 7.256 -1.142 6.497
119 HG22 ILE 18 2HG2 ILE 18 7.352 -2.163 5.063
120 HG23 ILE 18 3HG2 ILE 18 6.200 -2.546 6.343
121 HD11 ILE 18 3HD1 ILE 18 7.914 0.414 5.093
122 HD12 ILE 18 1HD1 ILE 18 6.938 1.758 4.505
123 HD13 ILE 18 2HD1 ILE 18 8.017 0.905 3.402
124 H LYS 19 H LYS 19 2.462 -0.925 6.090
125 HA LYS 19 HA LYS 19 0.878 0.067 3.920
126 HB2 LYS 19 2HB LYS 19 -0.418 -0.774 5.684
127 HB3 LYS 19 1HB LYS 19 0.538 0.066 6.904
128 HG2 LYS 19 2HG LYS 19 -0.392 2.194 6.201
129 HG3 LYS 19 1HG LYS 19 -1.274 1.398 4.904
130 HD2 LYS 19 2HD LYS 19 -2.809 1.795 6.673
131 HD3 LYS 19 1HD LYS 19 -2.464 0.067 6.658
132 HE2 LYS 19 2HE LYS 19 -1.062 2.023 8.465
133 HE3 LYS 19 1HE LYS 19 -2.514 1.148 8.934
134 HZ1 LYS 19 3HZ LYS 19 -1.185 -0.477 9.580
135 HZ2 LYS 19 1HZ LYS 19 0.177 0.270 8.918
136 HZ3 LYS 19 2HZ LYS 19 -0.776 -0.749 7.967
137 H VAL 20 H VAL 20 1.924 1.682 2.906
138 HA VAL 20 HA VAL 20 3.288 3.811 4.178
139 HB VAL 20 HB VAL 20 2.029 3.816 1.429
140 HG11 VAL 20 1HG1 VAL 20 4.270 5.417 2.642
141 HG12 VAL 20 2HG1 VAL 20 2.720 6.015 2.048
142 HG13 VAL 20 3HG1 VAL 20 3.909 5.368 0.917
143 HG21 VAL 20 3HG2 VAL 20 4.588 3.247 0.934
144 HG22 VAL 20 1HG2 VAL 20 3.358 2.005 1.170
145 HG23 VAL 20 2HG2 VAL 20 4.425 2.456 2.501
146 H GLY 21 H GLY 21 0.000 3.248 3.262
147 HA2 GLY 21 2HA GLY 21 -1.108 5.173 4.968
148 HA3 GLY 21 1HA GLY 21 -1.046 5.847 3.342
149 H SER 22 H SER 22 -3.184 5.758 2.711
150 HA SER 22 HA SER 22 -4.208 3.154 2.099
151 HB2 SER 22 2HB SER 22 -5.747 4.839 4.075
152 HB3 SER 22 1HB SER 22 -6.301 3.330 3.358
153 HG SER 22 HG SER 22 -3.892 3.483 4.837
154 H CYS 23 H CYS 23 -5.717 3.152 0.552
155 HA CYS 23 HA CYS 23 -6.275 5.701 -0.770
156 HB2 CYS 23 2HB CYS 23 -6.778 2.903 -1.838
157 HB3 CYS 23 1HB CYS 23 -6.710 4.408 -2.751
158 H PHE 24 H PHE 24 -8.628 4.892 -2.161
159 HA PHE 24 HA PHE 24 -10.567 5.401 -0.163
160 HB2 PHE 24 2HB PHE 24 -10.709 4.715 -3.071
161 HB3 PHE 24 1HB PHE 24 -12.172 4.643 -2.097
162 HD1 PHE 24 2HD PHE 24 -9.531 6.858 -3.385
163 HD2 PHE 24 1HD PHE 24 -13.237 6.590 -1.311
164 HE1 PHE 24 2HE PHE 24 -9.835 9.288 -3.631
165 HE2 PHE 24 1HE PHE 24 -13.552 9.021 -1.561
166 HZ PHE 24 HZ PHE 24 -11.848 10.371 -2.717
167 H GLY 25 H GLY 25 -11.825 4.105 0.995
168 HA2 GLY 25 2HA GLY 25 -12.908 2.188 1.669
169 HA3 GLY 25 1HA GLY 25 -12.239 1.343 0.285
170 H PHE 26 H PHE 26 -10.603 3.063 2.924
171 HA PHE 26 HA PHE 26 -8.920 2.426 4.330
172 HB2 PHE 26 2HB PHE 26 -10.847 1.315 5.385
173 HB3 PHE 26 1HB PHE 26 -10.570 -0.112 4.395
174 HD1 PHE 26 2HD PHE 26 -8.599 2.087 6.680
175 HD2 PHE 26 1HD PHE 26 -9.552 -1.870 5.448
176 HE1 PHE 26 2HE PHE 26 -7.109 1.190 8.411
177 HE2 PHE 26 1HE PHE 26 -8.062 -2.775 7.182
178 HZ PHE 26 HZ PHE 26 -6.835 -1.243 8.666
179 H ARG 27 H ARG 27 -8.691 1.715 1.415
180 HA ARG 27 HA ARG 27 -7.252 -0.741 1.268
181 HB2 ARG 27 2HB ARG 27 -7.301 1.575 -0.658
182 HB3 ARG 27 1HB ARG 27 -6.677 -0.028 -0.996
183 HG2 ARG 27 2HG ARG 27 -9.501 0.579 -0.255
184 HG3 ARG 27 1HG ARG 27 -8.907 0.388 -1.907
185 HD2 ARG 27 2HD ARG 27 -8.168 -1.873 -1.355
186 HD3 ARG 27 1HD ARG 27 -8.806 -1.674 0.278
187 HE ARG 27 HE ARG 27 -10.734 -1.094 -1.719
188 HH11 ARG 27 1HH1 ARG 27 -9.225 -3.690 0.076
189 HH12 ARG 27 2HH1 ARG 27 -10.527 -4.805 -0.187
190 HH21 ARG 27 1HH2 ARG 27 -12.460 -2.561 -2.065
191 HH22 ARG 27 2HH2 ARG 27 -12.370 -4.162 -1.407
192 H SER 28 H SER 28 -5.798 -0.328 3.087
193 HA SER 28 HA SER 28 -3.919 1.633 3.307
194 HB2 SER 28 2HB SER 28 -3.492 -1.312 3.824
195 HB3 SER 28 1HB SER 28 -2.531 -0.003 4.502
196 HG SER 28 HG SER 28 -4.790 0.743 5.226
197 H CYS 29 H CYS 29 -2.348 2.385 2.013
198 HA CYS 29 HA CYS 29 -1.692 1.188 -0.462
199 HB2 CYS 29 2HB CYS 29 -0.433 3.435 1.109
200 HB3 CYS 29 1HB CYS 29 0.194 2.918 -0.451
201 H CYS 30 H CYS 30 -0.237 -0.324 -0.970
202 HA CYS 30 HA CYS 30 1.589 -1.245 1.125
203 HB2 CYS 30 2HB CYS 30 0.397 -2.551 -1.298
204 HB3 CYS 30 1HB CYS 30 1.829 -3.220 -0.537
205 H LYS 31 H LYS 31 3.707 -1.211 0.955
206 HA LYS 31 HA LYS 31 5.067 -0.916 -1.580
207 HB2 LYS 31 2HB LYS 31 5.373 1.120 0.639
208 HB3 LYS 31 1HB LYS 31 6.471 0.972 -0.721
209 HG2 LYS 31 2HG LYS 31 3.535 1.614 -0.941
210 HG3 LYS 31 1HG LYS 31 4.843 2.795 -0.997
211 HD2 LYS 31 2HD LYS 31 5.737 1.756 -3.002
212 HD3 LYS 31 1HD LYS 31 4.499 0.500 -2.930
213 HE2 LYS 31 2HE LYS 31 2.761 2.174 -3.248
214 HE3 LYS 31 1HE LYS 31 3.972 3.450 -3.268
215 HZ1 LYS 31 3HZ LYS 31 3.161 2.673 -5.498
216 HZ2 LYS 31 1HZ LYS 31 3.974 1.220 -5.216
217 HZ3 LYS 31 2HZ LYS 31 4.837 2.668 -5.299
218 H TRP 32 H TRP 32 7.233 -1.668 -1.439
219 HA TRP 32 HA TRP 32 7.620 -3.643 0.531
220 HB2 TRP 32 2HB TRP 32 9.712 -2.476 -1.304
221 HB3 TRP 32 1HB TRP 32 9.789 -4.024 -0.476
222 HD1 TRP 32 HD TRP 32 7.737 -2.283 -3.259
223 HE1 TRP 32 1HE TRP 32 6.874 -4.103 -4.866
224 HE3 TRP 32 3HE TRP 32 9.345 -6.422 -0.732
225 HZ2 TRP 32 2HZ TRP 32 6.860 -6.919 -5.023
226 HZ3 TRP 32 3HZ TRP 32 8.861 -8.641 -1.672
227 HH2 TRP 32 HH TRP 32 7.643 -8.885 -3.773
228 HA PRO 33 HA PRO 33 9.405 -1.281 3.825
229 HB2 PRO 33 2HB PRO 33 10.814 -3.692 4.704
230 HB3 PRO 33 1HB PRO 33 9.496 -2.821 5.489
231 HG2 PRO 33 2HG PRO 33 9.171 -5.264 4.379
232 HG3 PRO 33 1HG PRO 33 7.874 -4.058 4.431
233 HD2 PRO 33 2HD PRO 33 9.669 -4.816 2.160
234 HD3 PRO 33 1HD PRO 33 7.931 -4.453 2.155
235 H TRP 34 H TRP 34 10.847 -1.399 1.273
236 HA TRP 34 HA TRP 34 13.403 -0.522 2.211
237 HB2 TRP 34 2HB TRP 34 14.705 -2.106 0.777
238 HB3 TRP 34 1HB TRP 34 13.898 -2.882 2.130
239 HD1 TRP 34 HD TRP 34 12.123 -2.052 -1.197
240 HE1 TRP 34 1HE TRP 34 11.369 -4.265 -2.275
241 HE3 TRP 34 3HE TRP 34 14.326 -5.310 2.052
242 HZ2 TRP 34 2HZ TRP 34 11.673 -7.032 -1.802
243 HZ3 TRP 34 3HZ TRP 34 14.048 -7.728 1.672
244 HH2 TRP 34 HH TRP 34 12.748 -8.568 -0.215
245 H ASN 35 H ASN 35 11.013 0.338 0.717
246 HA ASN 35 HA ASN 35 11.915 0.774 -1.994
247 HB2 ASN 35 2HB ASN 35 9.468 1.594 -0.442
248 HB3 ASN 35 1HB ASN 35 9.804 2.272 -2.029
249 HD21 ASN 35 1HD2 ASN 35 11.110 -0.574 -2.470
250 HD22 ASN 35 2HD2 ASN 35 9.746 -1.504 -2.974
251 H ALA 36 H ALA 36 13.844 1.690 -0.447
252 HA ALA 36 HA ALA 36 14.015 4.447 -1.163
253 HB1 ALA 36 1HB ALA 36 14.491 4.209 1.730
254 HB2 ALA 36 2HB ALA 36 12.800 4.093 1.245
255 HB3 ALA 36 3HB ALA 36 13.747 5.514 0.806
Start of MODEL 8
1 H1 LEU 1 1HT LEU 1 3.114 1.302 -8.037
2 H2 LEU 1 2HT LEU 1 3.004 2.983 -7.940
3 H3 LEU 1 3HT LEU 1 2.062 2.139 -9.057
4 HA LEU 1 HA LEU 1 1.091 0.948 -7.034
5 HB2 LEU 1 2HB LEU 1 2.133 3.514 -5.811
6 HB3 LEU 1 1HB LEU 1 1.099 2.347 -5.016
7 HG LEU 1 HG LEU 1 3.284 2.020 -4.151
8 HD11 LEU 1 2HD1 LEU 1 3.852 -0.268 -4.945
9 HD12 LEU 1 3HD1 LEU 1 2.673 -0.074 -6.239
10 HD13 LEU 1 1HD1 LEU 1 2.147 -0.056 -4.557
11 HD21 LEU 1 1HD2 LEU 1 4.601 1.387 -6.709
12 HD22 LEU 1 2HD2 LEU 1 5.217 2.218 -5.282
13 HD23 LEU 1 3HD2 LEU 1 4.220 3.089 -6.447
14 H PHE 2 H PHE 2 -1.043 1.251 -7.313
15 HA PHE 2 HA PHE 2 -2.050 3.289 -8.942
16 HB2 PHE 2 2HB PHE 2 -3.567 1.579 -6.971
17 HB3 PHE 2 1HB PHE 2 -4.283 2.513 -8.278
18 HD1 PHE 2 2HD PHE 2 -1.791 -0.203 -7.693
19 HD2 PHE 2 1HD PHE 2 -4.693 1.502 -10.294
20 HE1 PHE 2 2HE PHE 2 -1.565 -2.127 -9.205
21 HE2 PHE 2 1HE PHE 2 -4.478 -0.428 -11.802
22 HZ PHE 2 HZ PHE 2 -2.912 -2.242 -11.260
23 H CYS 3 H CYS 3 -2.382 2.835 -5.479
24 HA CYS 3 HA CYS 3 -3.555 5.392 -5.027
25 HB2 CYS 3 2HB CYS 3 -4.154 3.996 -3.307
26 HB3 CYS 3 1HB CYS 3 -2.618 3.146 -3.317
27 H LYS 4 H LYS 4 -2.624 7.209 -4.160
28 HA LYS 4 HA LYS 4 -0.002 7.824 -4.971
29 HB2 LYS 4 2HB LYS 4 -1.771 9.517 -4.754
30 HB3 LYS 4 1HB LYS 4 -1.790 9.280 -3.012
31 HG2 LYS 4 2HG LYS 4 0.553 10.053 -2.917
32 HG3 LYS 4 1HG LYS 4 0.487 10.368 -4.649
33 HD2 LYS 4 2HD LYS 4 -1.196 12.032 -4.356
34 HD3 LYS 4 1HD LYS 4 -1.383 11.620 -2.651
35 HE2 LYS 4 2HE LYS 4 1.097 12.762 -3.930
36 HE3 LYS 4 1HE LYS 4 -0.063 13.662 -2.957
37 HZ1 LYS 4 3HZ LYS 4 1.661 13.117 -1.510
38 HZ2 LYS 4 1HZ LYS 4 1.792 11.537 -2.088
39 HZ3 LYS 4 2HZ LYS 4 0.461 11.984 -1.153
40 H GLY 5 H GLY 5 0.986 5.909 -3.910
41 HA2 GLY 5 2HA GLY 5 2.806 6.393 -2.034
42 HA3 GLY 5 1HA GLY 5 1.389 6.091 -1.036
43 H GLY 6 H GLY 6 0.114 4.086 -2.160
44 HA2 GLY 6 2HA GLY 6 1.775 1.953 -3.076
45 HA3 GLY 6 1HA GLY 6 1.397 1.792 -1.370
46 H SER 7 H SER 7 0.576 0.261 -3.863
47 HA SER 7 HA SER 7 -2.076 0.631 -4.503
48 HB2 SER 7 2HB SER 7 -0.684 -2.031 -4.158
49 HB3 SER 7 1HB SER 7 -2.081 -1.697 -5.184
50 HG SER 7 HG SER 7 0.000 -1.713 -6.280
51 H CYS 8 H CYS 8 -4.008 0.166 -3.572
52 HA CYS 8 HA CYS 8 -4.289 0.102 -0.826
53 HB2 CYS 8 2HB CYS 8 -6.413 -1.191 -2.467
54 HB3 CYS 8 1HB CYS 8 -6.549 -0.007 -1.179
55 H HIS 9 H HIS 9 -4.627 -1.477 0.701
56 HA HIS 9 HA HIS 9 -3.423 -3.993 0.317
57 HB2 HIS 9 2HB HIS 9 -5.072 -2.801 2.501
58 HB3 HIS 9 1HB HIS 9 -4.721 -4.512 2.546
59 HD1 HIS 9 1HD HIS 9 -3.542 -3.755 4.849
60 HD2 HIS 9 2HD HIS 9 -1.726 -2.498 1.339
61 HE1 HIS 9 1HE HIS 9 -1.215 -3.084 5.506
62 HE2 HIS 9 2HE HIS 9 -0.069 -2.558 3.332
63 H PHE 10 H PHE 10 -4.548 -4.750 -1.587
64 HA PHE 10 HA PHE 10 -7.311 -5.251 -1.730
65 HB2 PHE 10 2HB PHE 10 -4.989 -6.621 -3.106
66 HB3 PHE 10 1HB PHE 10 -6.673 -6.890 -3.522
67 HD1 PHE 10 1HD PHE 10 -6.586 -3.540 -2.711
68 HD2 PHE 10 2HD PHE 10 -5.218 -6.234 -5.710
69 HE1 PHE 10 1HE PHE 10 -6.469 -1.688 -4.326
70 HE2 PHE 10 2HE PHE 10 -5.099 -4.386 -7.319
71 HZ PHE 10 HZ PHE 10 -5.726 -2.110 -6.632
72 H GLY 11 H GLY 11 -7.398 -6.067 0.615
73 HA2 GLY 11 2HA GLY 11 -8.040 -7.837 1.952
74 HA3 GLY 11 1HA GLY 11 -7.769 -8.913 0.586
75 H GLY 12 H GLY 12 -5.156 -8.355 0.018
76 HA2 GLY 12 2HA GLY 12 -3.449 -8.482 2.290
77 HA3 GLY 12 1HA GLY 12 -3.682 -10.065 1.551
78 H CYS 13 H CYS 13 -2.105 -7.054 1.336
79 HA CYS 13 HA CYS 13 -1.476 -6.725 -1.293
80 HB2 CYS 13 2HB CYS 13 0.381 -6.393 1.072
81 HB3 CYS 13 1HB CYS 13 0.643 -5.703 -0.524
82 HA PRO 14 HA PRO 14 0.659 -10.038 -3.214
83 HB2 PRO 14 2HB PRO 14 2.932 -8.078 -3.281
84 HB3 PRO 14 1HB PRO 14 2.363 -9.174 -4.545
85 HG2 PRO 14 2HG PRO 14 1.673 -6.581 -4.525
86 HG3 PRO 14 1HG PRO 14 0.563 -7.843 -5.089
87 HD2 PRO 14 2HD PRO 14 0.427 -6.192 -2.666
88 HD3 PRO 14 1HD PRO 14 -0.843 -7.153 -3.444
89 H SER 15 H SER 15 2.329 -8.281 -0.659
90 HA SER 15 HA SER 15 3.111 -10.710 0.621
91 HB2 SER 15 2HB SER 15 4.875 -10.524 -1.127
92 HB3 SER 15 1HB SER 15 5.312 -8.940 -0.492
93 HG SER 15 HG SER 15 6.359 -9.857 1.090
94 H HIS 16 H HIS 16 1.486 -8.860 1.594
95 HA HIS 16 HA HIS 16 1.133 -7.241 3.180
96 HB2 HIS 16 2HB HIS 16 1.765 -9.195 4.557
97 HB3 HIS 16 1HB HIS 16 3.452 -8.703 4.474
98 HD1 HIS 16 1HD HIS 16 2.584 -8.930 7.224
99 HD2 HIS 16 2HD HIS 16 1.768 -5.482 5.058
100 HE1 HIS 16 1HE HIS 16 2.202 -7.136 8.937
101 HE2 HIS 16 2HE HIS 16 1.861 -5.032 7.600
102 H LEU 17 H LEU 17 2.467 -6.182 1.139
103 HA LEU 17 HA LEU 17 4.936 -5.015 1.567
104 HB2 LEU 17 2HB LEU 17 2.722 -3.563 0.159
105 HB3 LEU 17 1HB LEU 17 4.432 -3.546 -0.187
106 HG LEU 17 HG LEU 17 2.525 -5.810 -0.720
107 HD11 LEU 17 1HD1 LEU 17 3.092 -5.330 -3.078
108 HD12 LEU 17 2HD1 LEU 17 3.987 -3.909 -2.538
109 HD13 LEU 17 3HD1 LEU 17 2.245 -4.005 -2.277
110 HD21 LEU 17 3HD2 LEU 17 4.606 -6.795 -0.135
111 HD22 LEU 17 1HD2 LEU 17 5.505 -5.616 -1.087
112 HD23 LEU 17 2HD2 LEU 17 4.497 -6.817 -1.893
113 H ILE 18 H ILE 18 5.623 -3.125 2.507
114 HA ILE 18 HA ILE 18 4.466 -2.264 4.834
115 HB ILE 18 HB ILE 18 5.829 -0.182 4.614
116 HG12 ILE 18 2HG1 ILE 18 6.687 -1.392 1.977
117 HG13 ILE 18 1HG1 ILE 18 5.636 0.010 2.132
118 HG21 ILE 18 1HG2 ILE 18 8.036 -1.426 4.480
119 HG22 ILE 18 2HG2 ILE 18 7.084 -2.870 4.135
120 HG23 ILE 18 3HG2 ILE 18 6.868 -2.015 5.661
121 HD11 ILE 18 3HD1 ILE 18 8.001 0.545 1.624
122 HD12 ILE 18 1HD1 ILE 18 8.443 -0.116 3.199
123 HD13 ILE 18 2HD1 ILE 18 7.394 1.298 3.099
124 H LYS 19 H LYS 19 2.782 -1.033 5.356
125 HA LYS 19 HA LYS 19 1.069 -0.012 3.341
126 HB2 LYS 19 2HB LYS 19 0.001 -0.787 5.297
127 HB3 LYS 19 1HB LYS 19 1.060 0.152 6.346
128 HG2 LYS 19 2HG LYS 19 -0.016 2.207 5.624
129 HG3 LYS 19 1HG LYS 19 -1.027 1.299 4.498
130 HD2 LYS 19 2HD LYS 19 -2.282 1.806 6.510
131 HD3 LYS 19 1HD LYS 19 -2.001 0.070 6.403
132 HE2 LYS 19 2HE LYS 19 -0.107 0.312 7.965
133 HE3 LYS 19 1HE LYS 19 -0.466 2.032 8.103
134 HZ1 LYS 19 3HZ LYS 19 -2.500 1.573 9.159
135 HZ2 LYS 19 1HZ LYS 19 -1.372 0.560 9.902
136 HZ3 LYS 19 2HZ LYS 19 -2.447 -0.068 8.760
137 H VAL 20 H VAL 20 0.789 2.033 2.610
138 HA VAL 20 HA VAL 20 2.271 4.240 3.802
139 HB VAL 20 HB VAL 20 3.112 4.898 1.502
140 HG11 VAL 20 1HG1 VAL 20 4.448 3.764 3.361
141 HG12 VAL 20 2HG1 VAL 20 5.109 3.689 1.728
142 HG13 VAL 20 3HG1 VAL 20 4.287 2.286 2.412
143 HG21 VAL 20 3HG2 VAL 20 2.389 2.031 0.877
144 HG22 VAL 20 1HG2 VAL 20 3.368 3.077 -0.150
145 HG23 VAL 20 2HG2 VAL 20 1.676 3.469 0.153
146 H GLY 21 H GLY 21 -0.342 4.050 4.052
147 HA2 GLY 21 2HA GLY 21 -1.710 6.136 3.639
148 HA3 GLY 21 1HA GLY 21 -1.524 5.743 1.934
149 H SER 22 H SER 22 -3.874 5.677 1.837
150 HA SER 22 HA SER 22 -4.845 3.033 2.070
151 HB2 SER 22 2HB SER 22 -5.050 3.607 4.434
152 HB3 SER 22 1HB SER 22 -6.022 5.016 4.014
153 HG SER 22 HG SER 22 -7.694 3.775 3.832
154 H CYS 23 H CYS 23 -6.637 2.670 0.988
155 HA CYS 23 HA CYS 23 -7.620 4.853 -0.685
156 HB2 CYS 23 2HB CYS 23 -7.987 1.847 -0.932
157 HB3 CYS 23 1HB CYS 23 -8.528 3.049 -2.107
158 H PHE 24 H PHE 24 -8.872 2.135 1.221
159 HA PHE 24 HA PHE 24 -10.730 3.511 2.674
160 HB2 PHE 24 2HB PHE 24 -12.861 2.682 1.472
161 HB3 PHE 24 1HB PHE 24 -12.074 4.134 0.876
162 HD1 PHE 24 1HD PHE 24 -12.344 0.473 0.271
163 HD2 PHE 24 2HD PHE 24 -11.468 4.307 -1.353
164 HE1 PHE 24 1HE PHE 24 -12.257 -0.498 -1.989
165 HE2 PHE 24 2HE PHE 24 -11.375 3.334 -3.608
166 HZ PHE 24 HZ PHE 24 -11.775 0.931 -3.925
167 H GLY 25 H GLY 25 -11.794 2.187 4.120
168 HA2 GLY 25 2HA GLY 25 -12.187 0.269 5.324
169 HA3 GLY 25 1HA GLY 25 -12.070 -0.617 3.808
170 H PHE 26 H PHE 26 -10.803 -2.300 4.508
171 HA PHE 26 HA PHE 26 -8.385 -1.818 6.011
172 HB2 PHE 26 2HB PHE 26 -8.053 -4.272 5.780
173 HB3 PHE 26 1HB PHE 26 -9.627 -3.856 6.448
174 HD1 PHE 26 2HD PHE 26 -8.119 -4.394 3.057
175 HD2 PHE 26 1HD PHE 26 -11.385 -5.098 5.692
176 HE1 PHE 26 2HE PHE 26 -9.219 -5.747 1.327
177 HE2 PHE 26 1HE PHE 26 -12.488 -6.459 3.966
178 HZ PHE 26 HZ PHE 26 -11.405 -6.783 1.778
179 H ARG 27 H ARG 27 -9.155 -1.290 2.911
180 HA ARG 27 HA ARG 27 -6.940 -2.466 1.552
181 HB2 ARG 27 2HB ARG 27 -8.709 -0.204 0.636
182 HB3 ARG 27 1HB ARG 27 -7.683 -1.207 -0.372
183 HG2 ARG 27 2HG ARG 27 -9.033 -3.166 0.238
184 HG3 ARG 27 1HG ARG 27 -10.105 -2.107 1.159
185 HD2 ARG 27 2HD ARG 27 -10.279 -0.781 -1.053
186 HD3 ARG 27 1HD ARG 27 -9.667 -2.255 -1.797
187 HE ARG 27 HE ARG 27 -12.303 -1.791 -0.898
188 HH11 ARG 27 1HH1 ARG 27 -9.882 -4.307 -1.069
189 HH12 ARG 27 2HH1 ARG 27 -11.036 -5.598 -1.022
190 HH21 ARG 27 1HH2 ARG 27 -13.822 -3.486 -0.846
191 HH22 ARG 27 2HH2 ARG 27 -13.274 -5.131 -0.893
192 H SER 28 H SER 28 -5.720 -1.289 3.590
193 HA SER 28 HA SER 28 -4.925 1.378 3.304
194 HB2 SER 28 2HB SER 28 -3.014 -0.705 4.306
195 HB3 SER 28 1HB SER 28 -3.346 0.907 4.941
196 HG SER 28 HG SER 28 -5.477 0.031 5.510
197 H CYS 29 H CYS 29 -3.273 2.343 2.122
198 HA CYS 29 HA CYS 29 -2.491 1.151 -0.304
199 HB2 CYS 29 2HB CYS 29 -1.392 3.557 1.167
200 HB3 CYS 29 1HB CYS 29 -0.987 3.152 -0.491
201 H CYS 30 H CYS 30 -0.534 0.167 -0.923
202 HA CYS 30 HA CYS 30 1.596 -0.093 1.031
203 HB2 CYS 30 2HB CYS 30 1.557 -2.518 1.069
204 HB3 CYS 30 1HB CYS 30 0.036 -1.879 1.651
205 H LYS 31 H LYS 31 3.496 -1.060 0.214
206 HA LYS 31 HA LYS 31 3.739 -1.824 -2.516
207 HB2 LYS 31 2HB LYS 31 5.311 0.038 -3.123
208 HB3 LYS 31 1HB LYS 31 3.625 0.495 -2.988
209 HG2 LYS 31 2HG LYS 31 4.603 2.218 -1.907
210 HG3 LYS 31 1HG LYS 31 4.304 1.138 -0.550
211 HD2 LYS 31 2HD LYS 31 6.597 0.374 -0.610
212 HD3 LYS 31 1HD LYS 31 6.910 1.333 -2.057
213 HE2 LYS 31 2HE LYS 31 6.231 3.353 -0.685
214 HE3 LYS 31 1HE LYS 31 6.306 2.296 0.723
215 HZ1 LYS 31 3HZ LYS 31 8.667 1.781 -0.189
216 HZ2 LYS 31 1HZ LYS 31 8.400 3.192 0.698
217 HZ3 LYS 31 2HZ LYS 31 8.491 3.260 -0.986
218 H TRP 32 H TRP 32 5.708 -2.841 -2.895
219 HA TRP 32 HA TRP 32 6.903 -4.097 -0.778
220 HB2 TRP 32 2HB TRP 32 8.123 -3.488 -3.476
221 HB3 TRP 32 1HB TRP 32 8.771 -4.649 -2.322
222 HD1 TRP 32 HD TRP 32 5.455 -4.092 -4.279
223 HE1 TRP 32 1HE TRP 32 4.488 -6.401 -4.867
224 HE3 TRP 32 3HE TRP 32 8.896 -7.037 -1.914
225 HZ2 TRP 32 2HZ TRP 32 5.098 -9.109 -4.386
226 HZ3 TRP 32 3HZ TRP 32 8.628 -9.479 -2.025
227 HH2 TRP 32 HH TRP 32 6.768 -10.494 -3.234
228 HA PRO 33 HA PRO 33 9.380 -1.215 1.430
229 HB2 PRO 33 2HB PRO 33 11.422 -3.396 1.424
230 HB3 PRO 33 1HB PRO 33 10.786 -2.454 2.777
231 HG2 PRO 33 2HG PRO 33 9.988 -4.961 2.379
232 HG3 PRO 33 1HG PRO 33 8.846 -3.715 2.918
233 HD2 PRO 33 2HD PRO 33 9.168 -4.962 0.227
234 HD3 PRO 33 1HD PRO 33 7.696 -4.387 1.044
235 H TRP 34 H TRP 34 11.145 -3.230 -0.892
236 HA TRP 34 HA TRP 34 13.107 -1.215 -1.451
237 HB2 TRP 34 2HB TRP 34 13.692 -2.909 -3.322
238 HB3 TRP 34 1HB TRP 34 13.905 -3.403 -1.653
239 HD1 TRP 34 HD TRP 34 10.717 -3.515 -3.887
240 HE1 TRP 34 1HE TRP 34 9.773 -5.909 -3.745
241 HE3 TRP 34 3HE TRP 34 14.312 -5.569 -0.969
242 HZ2 TRP 34 2HZ TRP 34 10.489 -8.359 -2.515
243 HZ3 TRP 34 3HZ TRP 34 14.128 -7.946 -0.329
244 HH2 TRP 34 HH TRP 34 12.248 -9.304 -1.091
245 H ASN 35 H ASN 35 9.944 -1.703 -2.429
246 HA ASN 35 HA ASN 35 8.618 -0.842 -4.059
247 HB2 ASN 35 2HB ASN 35 9.516 1.268 -3.126
248 HB3 ASN 35 1HB ASN 35 10.824 1.219 -4.302
249 HD21 ASN 35 1HD2 ASN 35 10.502 2.530 -5.942
250 HD22 ASN 35 2HD2 ASN 35 8.975 2.938 -6.646
251 H ALA 36 H ALA 36 9.610 -2.943 -5.060
252 HA ALA 36 HA ALA 36 9.880 -2.484 -7.838
253 HB1 ALA 36 1HB ALA 36 12.360 -3.195 -6.295
254 HB2 ALA 36 2HB ALA 36 12.142 -1.947 -7.521
255 HB3 ALA 36 3HB ALA 36 12.164 -3.647 -7.989
Start of MODEL 9
1 H1 LEU 1 1HT LEU 1 -2.570 1.927 -5.046
2 H2 LEU 1 2HT LEU 1 -2.608 3.418 -5.829
3 H3 LEU 1 3HT LEU 1 -3.588 3.151 -4.481
4 HA LEU 1 HA LEU 1 -1.927 3.463 -3.006
5 HB2 LEU 1 2HB LEU 1 -0.773 1.479 -4.104
6 HB3 LEU 1 1HB LEU 1 0.063 2.624 -5.100
7 HG LEU 1 HG LEU 1 1.494 1.851 -3.302
8 HD11 LEU 1 2HD1 LEU 1 1.807 4.140 -4.048
9 HD12 LEU 1 3HD1 LEU 1 2.192 3.952 -2.342
10 HD13 LEU 1 1HD1 LEU 1 0.671 4.695 -2.822
11 HD21 LEU 1 1HD2 LEU 1 -0.825 1.974 -1.752
12 HD22 LEU 1 2HD2 LEU 1 0.299 3.139 -1.061
13 HD23 LEU 1 3HD2 LEU 1 0.784 1.460 -1.263
14 H PHE 2 H PHE 2 -2.954 5.561 -3.922
15 HA PHE 2 HA PHE 2 -1.563 7.217 -5.688
16 HB2 PHE 2 2HB PHE 2 -3.267 8.015 -3.316
17 HB3 PHE 2 1HB PHE 2 -2.786 9.086 -4.626
18 HD1 PHE 2 2HD PHE 2 -4.523 5.806 -4.123
19 HD2 PHE 2 1HD PHE 2 -4.276 9.435 -6.330
20 HE1 PHE 2 2HE PHE 2 -6.531 5.170 -5.384
21 HE2 PHE 2 1HE PHE 2 -6.293 8.806 -7.591
22 HZ PHE 2 HZ PHE 2 -7.421 6.671 -7.121
23 H CYS 3 H CYS 3 -1.006 6.270 -2.486
24 HA CYS 3 HA CYS 3 0.554 8.308 -1.445
25 HB2 CYS 3 2HB CYS 3 0.977 5.345 -1.000
26 HB3 CYS 3 1HB CYS 3 1.451 6.649 0.079
27 H LYS 4 H LYS 4 1.325 5.925 -3.886
28 HA LYS 4 HA LYS 4 3.572 7.282 -4.825
29 HB2 LYS 4 2HB LYS 4 4.564 6.535 -2.678
30 HB3 LYS 4 1HB LYS 4 4.324 4.870 -3.183
31 HG2 LYS 4 2HG LYS 4 6.614 5.822 -3.508
32 HG3 LYS 4 1HG LYS 4 5.903 5.065 -4.920
33 HD2 LYS 4 2HD LYS 4 5.313 7.243 -5.812
34 HD3 LYS 4 1HD LYS 4 5.917 8.030 -4.354
35 HE2 LYS 4 2HE LYS 4 8.166 7.185 -4.851
36 HE3 LYS 4 1HE LYS 4 7.549 6.425 -6.316
37 HZ1 LYS 4 3HZ LYS 4 8.590 8.902 -6.182
38 HZ2 LYS 4 1HZ LYS 4 6.936 9.228 -6.104
39 HZ3 LYS 4 2HZ LYS 4 7.563 8.356 -7.405
40 H GLY 5 H GLY 5 1.481 6.196 -6.099
41 HA2 GLY 5 2HA GLY 5 0.778 4.694 -7.714
42 HA3 GLY 5 1HA GLY 5 2.398 4.988 -8.314
43 H GLY 6 H GLY 6 1.537 3.242 -5.382
44 HA2 GLY 6 2HA GLY 6 2.932 0.883 -6.424
45 HA3 GLY 6 1HA GLY 6 2.582 1.207 -4.740
46 H SER 7 H SER 7 1.024 -0.024 -3.868
47 HA SER 7 HA SER 7 -1.235 -0.850 -5.544
48 HB2 SER 7 2HB SER 7 0.346 -2.698 -3.746
49 HB3 SER 7 1HB SER 7 -1.113 -3.132 -4.634
50 HG SER 7 HG SER 7 0.061 -2.577 -6.568
51 H CYS 8 H CYS 8 -2.948 -1.953 -4.024
52 HA CYS 8 HA CYS 8 -3.012 -0.579 -1.433
53 HB2 CYS 8 2HB CYS 8 -5.279 -0.618 -3.417
54 HB3 CYS 8 1HB CYS 8 -5.325 0.092 -1.804
55 H HIS 9 H HIS 9 -4.010 -1.643 0.188
56 HA HIS 9 HA HIS 9 -4.178 -4.434 0.041
57 HB2 HIS 9 2HB HIS 9 -4.668 -2.364 2.075
58 HB3 HIS 9 1HB HIS 9 -5.560 -3.858 2.319
59 HD1 HIS 9 1HD HIS 9 -3.995 -6.085 2.436
60 HD2 HIS 9 2HD HIS 9 -2.060 -2.434 2.870
61 HE1 HIS 9 1HE HIS 9 -1.782 -6.617 3.489
62 HE2 HIS 9 2HE HIS 9 -0.665 -4.390 3.827
63 H PHE 10 H PHE 10 -5.637 -4.414 -1.923
64 HA PHE 10 HA PHE 10 -8.458 -3.999 -1.424
65 HB2 PHE 10 2HB PHE 10 -6.811 -4.886 -3.772
66 HB3 PHE 10 1HB PHE 10 -8.525 -5.267 -3.749
67 HD1 PHE 10 2HD PHE 10 -6.567 -2.223 -2.789
68 HD2 PHE 10 1HD PHE 10 -9.660 -3.907 -5.178
69 HE1 PHE 10 2HE PHE 10 -7.086 0.009 -3.692
70 HE2 PHE 10 1HE PHE 10 -10.177 -1.680 -6.085
71 HZ PHE 10 HZ PHE 10 -8.889 0.280 -5.343
72 H GLY 11 H GLY 11 -7.359 -5.679 0.433
73 HA2 GLY 11 2HA GLY 11 -7.926 -7.651 1.484
74 HA3 GLY 11 1HA GLY 11 -8.972 -8.027 0.122
75 H GLY 12 H GLY 12 -5.544 -7.273 -0.131
76 HA2 GLY 12 2HA GLY 12 -4.276 -9.644 0.019
77 HA3 GLY 12 1HA GLY 12 -5.113 -9.782 -1.516
78 H CYS 13 H CYS 13 -2.948 -7.513 0.227
79 HA CYS 13 HA CYS 13 -2.067 -6.134 -2.038
80 HB2 CYS 13 2HB CYS 13 -0.721 -6.669 0.612
81 HB3 CYS 13 1HB CYS 13 0.044 -5.702 -0.640
82 HA PRO 14 HA PRO 14 0.168 -8.859 -4.679
83 HB2 PRO 14 2HB PRO 14 2.300 -6.789 -4.260
84 HB3 PRO 14 1HB PRO 14 1.795 -7.587 -5.755
85 HG2 PRO 14 2HG PRO 14 0.935 -5.125 -5.116
86 HG3 PRO 14 1HG PRO 14 -0.093 -6.284 -5.975
87 HD2 PRO 14 2HD PRO 14 -0.323 -5.279 -3.226
88 HD3 PRO 14 1HD PRO 14 -1.531 -6.102 -4.226
89 H SER 15 H SER 15 1.812 -7.621 -1.786
90 HA SER 15 HA SER 15 2.651 -10.199 -0.987
91 HB2 SER 15 2HB SER 15 4.267 -9.822 -2.854
92 HB3 SER 15 1HB SER 15 4.860 -8.393 -2.011
93 HG SER 15 HG SER 15 5.279 -11.081 -1.489
94 H HIS 16 H HIS 16 5.111 -9.101 0.298
95 HA HIS 16 HA HIS 16 3.879 -8.072 2.666
96 HB2 HIS 16 2HB HIS 16 5.819 -9.563 2.803
97 HB3 HIS 16 1HB HIS 16 6.802 -8.388 1.939
98 HD1 HIS 16 1HD HIS 16 8.087 -9.005 4.418
99 HD2 HIS 16 2HD HIS 16 4.919 -6.315 4.367
100 HE1 HIS 16 1HE HIS 16 8.318 -7.646 6.515
101 HE2 HIS 16 2HE HIS 16 6.527 -5.886 6.343
102 H LEU 17 H LEU 17 3.092 -6.294 0.949
103 HA LEU 17 HA LEU 17 4.891 -4.106 0.547
104 HB2 LEU 17 2HB LEU 17 1.890 -4.033 0.456
105 HB3 LEU 17 1HB LEU 17 3.004 -2.962 -0.359
106 HG LEU 17 HG LEU 17 2.390 -5.828 -1.014
107 HD11 LEU 17 1HD1 LEU 17 1.635 -4.903 -3.123
108 HD12 LEU 17 2HD1 LEU 17 2.070 -3.284 -2.586
109 HD13 LEU 17 3HD1 LEU 17 0.777 -4.162 -1.772
110 HD21 LEU 17 3HD2 LEU 17 4.333 -4.119 -2.528
111 HD22 LEU 17 1HD2 LEU 17 4.067 -5.857 -2.643
112 HD23 LEU 17 2HD2 LEU 17 4.857 -5.180 -1.221
113 H ILE 18 H ILE 18 5.302 -2.451 1.902
114 HA ILE 18 HA ILE 18 4.222 -2.492 4.555
115 HB ILE 18 HB ILE 18 5.523 -0.374 4.868
116 HG12 ILE 18 2HG1 ILE 18 6.434 -0.922 2.033
117 HG13 ILE 18 1HG1 ILE 18 5.417 0.424 2.535
118 HG21 ILE 18 1HG2 ILE 18 7.049 -1.819 5.563
119 HG22 ILE 18 2HG2 ILE 18 7.713 -1.868 3.932
120 HG23 ILE 18 3HG2 ILE 18 6.479 -3.031 4.417
121 HD11 ILE 18 3HD1 ILE 18 7.798 1.007 2.184
122 HD12 ILE 18 1HD1 ILE 18 8.212 -0.039 3.540
123 HD13 ILE 18 2HD1 ILE 18 7.199 1.381 3.798
124 H LYS 19 H LYS 19 2.670 -1.217 5.451
125 HA LYS 19 HA LYS 19 0.829 0.059 3.697
126 HB2 LYS 19 2HB LYS 19 -0.056 -0.923 5.694
127 HB3 LYS 19 1HB LYS 19 1.028 0.025 6.707
128 HG2 LYS 19 2HG LYS 19 -0.129 2.043 6.188
129 HG3 LYS 19 1HG LYS 19 -1.081 1.240 4.943
130 HD2 LYS 19 2HD LYS 19 -2.534 1.414 6.746
131 HD3 LYS 19 1HD LYS 19 -1.948 -0.245 6.837
132 HE2 LYS 19 2HE LYS 19 -0.975 2.095 8.473
133 HE3 LYS 19 1HE LYS 19 -1.990 0.778 9.045
134 HZ1 LYS 19 3HZ LYS 19 0.878 0.800 8.481
135 HZ2 LYS 19 1HZ LYS 19 0.035 -0.634 8.176
136 HZ3 LYS 19 2HZ LYS 19 0.026 0.037 9.722
137 H VAL 20 H VAL 20 1.891 1.659 2.618
138 HA VAL 20 HA VAL 20 3.408 3.668 3.963
139 HB VAL 20 HB VAL 20 3.896 3.060 1.654
140 HG11 VAL 20 1HG1 VAL 20 2.482 3.546 -0.176
141 HG12 VAL 20 2HG1 VAL 20 1.364 4.446 0.843
142 HG13 VAL 20 3HG1 VAL 20 1.492 2.698 1.010
143 HG21 VAL 20 3HG2 VAL 20 2.977 5.922 1.732
144 HG22 VAL 20 1HG2 VAL 20 4.316 5.238 0.811
145 HG23 VAL 20 2HG2 VAL 20 4.415 5.338 2.568
146 H GLY 21 H GLY 21 0.059 3.212 3.291
147 HA2 GLY 21 2HA GLY 21 -0.772 5.330 4.898
148 HA3 GLY 21 1HA GLY 21 -0.764 5.921 3.245
149 H SER 22 H SER 22 -2.898 6.122 2.878
150 HA SER 22 HA SER 22 -4.519 3.669 3.036
151 HB2 SER 22 2HB SER 22 -5.578 6.467 3.428
152 HB3 SER 22 1HB SER 22 -6.424 4.948 3.714
153 HG SER 22 HG SER 22 -4.815 4.523 5.360
154 H CYS 23 H CYS 23 -5.811 3.208 1.353
155 HA CYS 23 HA CYS 23 -5.382 4.755 -1.099
156 HB2 CYS 23 2HB CYS 23 -4.987 2.182 -0.814
157 HB3 CYS 23 1HB CYS 23 -6.737 2.079 -0.994
158 H PHE 24 H PHE 24 -7.872 3.285 0.869
159 HA PHE 24 HA PHE 24 -9.815 5.281 0.271
160 HB2 PHE 24 2HB PHE 24 -10.076 3.958 -1.761
161 HB3 PHE 24 1HB PHE 24 -10.230 2.482 -0.820
162 HD1 PHE 24 1HD PHE 24 -11.797 5.871 -0.678
163 HD2 PHE 24 2HD PHE 24 -12.370 1.657 -0.856
164 HE1 PHE 24 1HE PHE 24 -14.230 6.200 -0.557
165 HE2 PHE 24 2HE PHE 24 -14.805 1.982 -0.741
166 HZ PHE 24 HZ PHE 24 -15.735 4.256 -0.591
167 H GLY 25 H GLY 25 -9.001 4.984 2.586
168 HA2 GLY 25 2HA GLY 25 -9.667 4.577 4.754
169 HA3 GLY 25 1HA GLY 25 -11.114 3.807 4.113
170 H PHE 26 H PHE 26 -11.273 1.753 4.692
171 HA PHE 26 HA PHE 26 -9.560 0.179 6.013
172 HB2 PHE 26 2HB PHE 26 -11.784 -0.598 5.568
173 HB3 PHE 26 1HB PHE 26 -11.478 -0.658 3.837
174 HD1 PHE 26 1HD PHE 26 -9.354 -1.909 6.620
175 HD2 PHE 26 2HD PHE 26 -11.807 -2.892 3.284
176 HE1 PHE 26 1HE PHE 26 -8.665 -4.260 6.812
177 HE2 PHE 26 2HE PHE 26 -11.126 -5.248 3.476
178 HZ PHE 26 HZ PHE 26 -9.552 -5.934 5.240
179 H ARG 27 H ARG 27 -9.640 0.454 2.469
180 HA ARG 27 HA ARG 27 -7.538 -1.391 2.025
181 HB2 ARG 27 2HB ARG 27 -8.441 0.876 0.248
182 HB3 ARG 27 1HB ARG 27 -7.392 -0.451 -0.231
183 HG2 ARG 27 2HG ARG 27 -9.333 -1.959 0.464
184 HG3 ARG 27 1HG ARG 27 -10.307 -0.488 0.375
185 HD2 ARG 27 2HD ARG 27 -9.088 -0.225 -1.940
186 HD3 ARG 27 1HD ARG 27 -8.881 -1.965 -1.776
187 HE ARG 27 HE ARG 27 -11.231 -0.647 -2.543
188 HH11 ARG 27 1HH1 ARG 27 -10.163 -3.266 -0.477
189 HH12 ARG 27 2HH1 ARG 27 -11.666 -4.118 -0.551
190 HH21 ARG 27 1HH2 ARG 27 -13.227 -1.779 -2.640
191 HH22 ARG 27 2HH2 ARG 27 -13.411 -3.271 -1.774
192 H SER 28 H SER 28 -5.957 -0.726 3.581
193 HA SER 28 HA SER 28 -4.731 1.795 3.569
194 HB2 SER 28 2HB SER 28 -3.459 -0.872 4.241
195 HB3 SER 28 1HB SER 28 -2.919 0.717 4.777
196 HG SER 28 HG SER 28 -4.854 0.931 5.940
197 H CYS 29 H CYS 29 -3.236 2.690 2.194
198 HA CYS 29 HA CYS 29 -2.755 1.378 -0.285
199 HB2 CYS 29 2HB CYS 29 -1.620 3.373 -0.947
200 HB3 CYS 29 1HB CYS 29 -2.952 3.877 0.063
201 H CYS 30 H CYS 30 -1.211 -0.069 -0.747
202 HA CYS 30 HA CYS 30 1.103 -0.271 1.068
203 HB2 CYS 30 2HB CYS 30 0.886 -2.695 0.966
204 HB3 CYS 30 1HB CYS 30 -0.599 -1.975 1.557
205 H LYS 31 H LYS 31 3.063 -0.680 0.199
206 HA LYS 31 HA LYS 31 3.307 -1.599 -2.525
207 HB2 LYS 31 2HB LYS 31 5.093 0.371 -2.777
208 HB3 LYS 31 1HB LYS 31 3.439 0.503 -3.325
209 HG2 LYS 31 2HG LYS 31 3.910 2.504 -2.219
210 HG3 LYS 31 1HG LYS 31 2.916 1.572 -1.103
211 HD2 LYS 31 2HD LYS 31 4.781 2.647 0.054
212 HD3 LYS 31 1HD LYS 31 4.940 0.893 0.116
213 HE2 LYS 31 2HE LYS 31 6.651 0.896 -1.510
214 HE3 LYS 31 1HE LYS 31 6.304 2.557 -1.987
215 HZ1 LYS 31 3HZ LYS 31 8.253 2.583 -0.674
216 HZ2 LYS 31 1HZ LYS 31 7.556 1.634 0.536
217 HZ3 LYS 31 2HZ LYS 31 7.023 3.216 0.289
218 H TRP 32 H TRP 32 5.360 -2.404 -3.024
219 HA TRP 32 HA TRP 32 6.556 -3.899 -1.091
220 HB2 TRP 32 2HB TRP 32 8.002 -2.828 -3.516
221 HB3 TRP 32 1HB TRP 32 8.364 -4.306 -2.634
222 HD1 TRP 32 HD TRP 32 5.558 -2.828 -4.851
223 HE1 TRP 32 1HE TRP 32 4.360 -4.774 -6.031
224 HE3 TRP 32 3HE TRP 32 7.981 -6.727 -2.623
225 HZ2 TRP 32 2HZ TRP 32 4.434 -7.596 -6.012
226 HZ3 TRP 32 3HZ TRP 32 7.359 -9.018 -3.256
227 HH2 TRP 32 HH TRP 32 5.620 -9.445 -4.915
228 HA PRO 33 HA PRO 33 8.784 -1.097 1.508
229 HB2 PRO 33 2HB PRO 33 10.609 -3.412 1.893
230 HB3 PRO 33 1HB PRO 33 9.752 -2.445 3.096
231 HG2 PRO 33 2HG PRO 33 8.943 -4.917 2.495
232 HG3 PRO 33 1HG PRO 33 7.779 -3.628 2.837
233 HD2 PRO 33 2HD PRO 33 8.578 -4.810 0.215
234 HD3 PRO 33 1HD PRO 33 6.989 -4.244 0.763
235 H TRP 34 H TRP 34 10.532 -3.244 -0.698
236 HA TRP 34 HA TRP 34 12.726 -1.346 -0.906
237 HB2 TRP 34 2HB TRP 34 12.369 -4.013 -2.286
238 HB3 TRP 34 1HB TRP 34 13.819 -3.036 -2.293
239 HD1 TRP 34 HD TRP 34 15.490 -3.472 -0.471
240 HE1 TRP 34 1HE TRP 34 15.584 -4.907 1.667
241 HE3 TRP 34 3HE TRP 34 10.623 -4.974 -0.321
242 HZ2 TRP 34 2HZ TRP 34 13.811 -6.474 3.201
243 HZ3 TRP 34 3HZ TRP 34 9.899 -6.448 1.507
244 HH2 TRP 34 HH TRP 34 11.460 -7.184 3.230
245 H ASN 35 H ASN 35 9.971 -0.787 -1.904
246 HA ASN 35 HA ASN 35 9.815 -0.937 -4.683
247 HB2 ASN 35 2HB ASN 35 7.879 -0.293 -3.399
248 HB3 ASN 35 1HB ASN 35 8.693 1.149 -2.805
249 HD21 ASN 35 1HD2 ASN 35 8.220 2.961 -3.820
250 HD22 ASN 35 2HD2 ASN 35 7.611 3.091 -5.435
251 H ALA 36 H ALA 36 11.499 1.314 -2.606
252 HA ALA 36 HA ALA 36 13.074 2.893 -3.016
253 HB1 ALA 36 1HB ALA 36 13.974 0.973 -4.417
254 HB2 ALA 36 2HB ALA 36 14.543 2.590 -4.825
255 HB3 ALA 36 3HB ALA 36 13.305 1.818 -5.813
Start of MODEL 10
1 H1 LEU 1 1HT LEU 1 7.002 8.932 -0.715
2 H2 LEU 1 2HT LEU 1 8.361 8.619 -1.663
3 H3 LEU 1 3HT LEU 1 8.289 8.043 -0.082
4 HA LEU 1 HA LEU 1 7.570 6.691 -2.351
5 HB2 LEU 1 2HB LEU 1 8.385 5.970 -0.037
6 HB3 LEU 1 1HB LEU 1 6.716 6.078 0.478
7 HG LEU 1 HG LEU 1 6.120 4.336 -1.187
8 HD11 LEU 1 2HD1 LEU 1 7.980 3.011 -2.168
9 HD12 LEU 1 3HD1 LEU 1 9.092 4.281 -1.658
10 HD13 LEU 1 1HD1 LEU 1 7.826 4.635 -2.834
11 HD21 LEU 1 1HD2 LEU 1 7.976 3.921 1.078
12 HD22 LEU 1 2HD2 LEU 1 7.703 2.547 0.008
13 HD23 LEU 1 3HD2 LEU 1 6.340 3.313 0.823
14 H PHE 2 H PHE 2 5.975 8.948 -2.511
15 HA PHE 2 HA PHE 2 3.430 8.987 -1.588
16 HB2 PHE 2 2HB PHE 2 4.544 9.718 -4.275
17 HB3 PHE 2 1HB PHE 2 2.825 9.881 -3.953
18 HD1 PHE 2 2HD PHE 2 5.744 10.558 -1.736
19 HD2 PHE 2 1HD PHE 2 2.416 12.149 -3.858
20 HE1 PHE 2 2HE PHE 2 6.137 12.754 -0.702
21 HE2 PHE 2 1HE PHE 2 2.804 14.347 -2.826
22 HZ PHE 2 HZ PHE 2 4.667 14.650 -1.246
23 H CYS 3 H CYS 3 1.462 8.135 -2.101
24 HA CYS 3 HA CYS 3 1.470 5.442 -3.071
25 HB2 CYS 3 2HB CYS 3 0.061 6.259 -1.177
26 HB3 CYS 3 1HB CYS 3 -0.885 7.194 -2.330
27 H LYS 4 H LYS 4 -1.234 5.633 -4.233
28 HA LYS 4 HA LYS 4 -2.233 5.737 -6.248
29 HB2 LYS 4 2HB LYS 4 -1.855 8.229 -5.750
30 HB3 LYS 4 1HB LYS 4 -0.530 8.130 -6.903
31 HG2 LYS 4 2HG LYS 4 -2.039 7.486 -8.662
32 HG3 LYS 4 1HG LYS 4 -3.381 7.396 -7.523
33 HD2 LYS 4 2HD LYS 4 -3.536 9.457 -8.751
34 HD3 LYS 4 1HD LYS 4 -3.106 9.819 -7.079
35 HE2 LYS 4 2HE LYS 4 -0.776 10.093 -7.720
36 HE3 LYS 4 1HE LYS 4 -1.167 9.659 -9.383
37 HZ1 LYS 4 3HZ LYS 4 -1.952 11.691 -9.807
38 HZ2 LYS 4 1HZ LYS 4 -1.075 12.166 -8.444
39 HZ3 LYS 4 2HZ LYS 4 -2.725 11.837 -8.313
40 H GLY 5 H GLY 5 -0.392 3.880 -6.166
41 HA2 GLY 5 2HA GLY 5 0.336 3.483 -8.864
42 HA3 GLY 5 1HA GLY 5 1.758 3.949 -7.940
43 H GLY 6 H GLY 6 1.175 2.719 -5.513
44 HA2 GLY 6 2HA GLY 6 1.971 0.028 -6.084
45 HA3 GLY 6 1HA GLY 6 1.676 0.714 -4.492
46 H SER 7 H SER 7 0.448 -0.933 -3.647
47 HA SER 7 HA SER 7 -2.112 -1.455 -5.010
48 HB2 SER 7 2HB SER 7 -0.557 -3.421 -4.922
49 HB3 SER 7 1HB SER 7 -0.653 -3.354 -3.167
50 HG SER 7 HG SER 7 -2.767 -3.844 -5.001
51 H CYS 8 H CYS 8 -3.884 -0.932 -3.950
52 HA CYS 8 HA CYS 8 -3.724 0.236 -1.325
53 HB2 CYS 8 2HB CYS 8 -6.136 -0.247 -3.083
54 HB3 CYS 8 1HB CYS 8 -6.045 0.833 -1.704
55 H HIS 9 H HIS 9 -2.934 -2.159 -0.871
56 HA HIS 9 HA HIS 9 -3.285 -4.242 -0.011
57 HB2 HIS 9 2HB HIS 9 -4.437 -2.213 1.760
58 HB3 HIS 9 1HB HIS 9 -4.910 -3.862 2.124
59 HD1 HIS 9 1HD HIS 9 -3.463 -3.390 4.373
60 HD2 HIS 9 2HD HIS 9 -1.358 -3.657 0.816
61 HE1 HIS 9 1HE HIS 9 -1.070 -3.759 5.037
62 HE2 HIS 9 2HE HIS 9 0.138 -4.153 2.865
63 H PHE 10 H PHE 10 -4.753 -4.419 -2.163
64 HA PHE 10 HA PHE 10 -7.497 -5.109 -1.507
65 HB2 PHE 10 2HB PHE 10 -5.866 -5.059 -4.015
66 HB3 PHE 10 1HB PHE 10 -7.269 -6.117 -3.964
67 HD1 PHE 10 1HD PHE 10 -6.561 -2.628 -2.822
68 HD2 PHE 10 2HD PHE 10 -9.062 -5.237 -5.059
69 HE1 PHE 10 1HE PHE 10 -8.023 -0.732 -3.391
70 HE2 PHE 10 2HE PHE 10 -10.525 -3.346 -5.637
71 HZ PHE 10 HZ PHE 10 -10.004 -1.091 -4.803
72 H GLY 11 H GLY 11 -5.324 -6.338 -0.134
73 HA2 GLY 11 2HA GLY 11 -6.036 -8.828 0.418
74 HA3 GLY 11 1HA GLY 11 -5.156 -9.073 -1.090
75 H GLY 12 H GLY 12 -3.342 -10.088 -0.335
76 HA2 GLY 12 2HA GLY 12 -1.918 -9.020 1.961
77 HA3 GLY 12 1HA GLY 12 -1.479 -10.437 1.024
78 H CYS 13 H CYS 13 -2.119 -8.065 -1.127
79 HA CYS 13 HA CYS 13 -0.875 -6.764 -2.487
80 HB2 CYS 13 2HB CYS 13 0.297 -6.287 0.181
81 HB3 CYS 13 1HB CYS 13 1.310 -5.830 -1.184
82 HA PRO 14 HA PRO 14 2.117 -8.906 -4.830
83 HB2 PRO 14 2HB PRO 14 4.041 -6.752 -4.014
84 HB3 PRO 14 1HB PRO 14 3.792 -7.489 -5.603
85 HG2 PRO 14 2HG PRO 14 2.708 -5.118 -4.979
86 HG3 PRO 14 1HG PRO 14 1.867 -6.284 -6.012
87 HD2 PRO 14 2HD PRO 14 1.254 -5.443 -3.264
88 HD3 PRO 14 1HD PRO 14 0.211 -6.241 -4.457
89 H SER 15 H SER 15 3.371 -7.682 -1.728
90 HA SER 15 HA SER 15 4.239 -10.276 -0.945
91 HB2 SER 15 2HB SER 15 6.059 -9.811 -2.500
92 HB3 SER 15 1HB SER 15 6.377 -8.272 -1.703
93 HG SER 15 HG SER 15 6.815 -9.534 0.226
94 H HIS 16 H HIS 16 2.589 -8.974 0.520
95 HA HIS 16 HA HIS 16 2.172 -7.898 2.497
96 HB2 HIS 16 2HB HIS 16 4.893 -9.075 3.109
97 HB3 HIS 16 1HB HIS 16 3.809 -8.399 4.319
98 HD1 HIS 16 1HD HIS 16 4.439 -11.149 4.936
99 HD2 HIS 16 2HD HIS 16 1.475 -10.236 2.170
100 HE1 HIS 16 1HE HIS 16 2.974 -13.187 4.818
101 HE2 HIS 16 2HE HIS 16 1.291 -12.670 3.019
102 H LEU 17 H LEU 17 3.193 -6.222 0.514
103 HA LEU 17 HA LEU 17 5.355 -4.640 1.244
104 HB2 LEU 17 2HB LEU 17 2.886 -3.628 -0.144
105 HB3 LEU 17 1HB LEU 17 4.508 -3.004 -0.284
106 HG LEU 17 HG LEU 17 3.427 -5.588 -1.380
107 HD11 LEU 17 1HD1 LEU 17 4.455 -3.053 -2.622
108 HD12 LEU 17 2HD1 LEU 17 2.851 -3.769 -2.769
109 HD13 LEU 17 3HD1 LEU 17 4.237 -4.553 -3.524
110 HD21 LEU 17 3HD2 LEU 17 5.747 -5.818 -0.432
111 HD22 LEU 17 1HD2 LEU 17 6.263 -4.622 -1.617
112 HD23 LEU 17 2HD2 LEU 17 5.594 -6.159 -2.154
113 H ILE 18 H ILE 18 5.631 -2.949 2.621
114 HA ILE 18 HA ILE 18 3.951 -2.745 4.865
115 HB ILE 18 HB ILE 18 6.103 -0.834 3.946
116 HG12 ILE 18 2HG1 ILE 18 6.187 -3.163 5.879
117 HG13 ILE 18 1HG1 ILE 18 6.920 -3.122 4.280
118 HG21 ILE 18 1HG2 ILE 18 6.179 -0.259 6.406
119 HG22 ILE 18 2HG2 ILE 18 4.635 -1.097 6.560
120 HG23 ILE 18 3HG2 ILE 18 4.768 0.323 5.523
121 HD11 ILE 18 3HD1 ILE 18 7.710 -1.547 6.709
122 HD12 ILE 18 1HD1 ILE 18 8.324 -1.206 5.092
123 HD13 ILE 18 2HD1 ILE 18 8.648 -2.765 5.847
124 H LYS 19 H LYS 19 2.406 -1.331 5.473
125 HA LYS 19 HA LYS 19 0.912 0.038 3.515
126 HB2 LYS 19 2HB LYS 19 -0.163 -0.769 5.515
127 HB3 LYS 19 1HB LYS 19 0.867 0.237 6.526
128 HG2 LYS 19 2HG LYS 19 -0.147 2.240 5.648
129 HG3 LYS 19 1HG LYS 19 -1.100 1.295 4.508
130 HD2 LYS 19 2HD LYS 19 -2.444 1.981 6.414
131 HD3 LYS 19 1HD LYS 19 -2.267 0.227 6.373
132 HE2 LYS 19 2HE LYS 19 -0.486 0.380 8.057
133 HE3 LYS 19 1HE LYS 19 -0.696 2.130 8.108
134 HZ1 LYS 19 3HZ LYS 19 -1.851 0.992 9.915
135 HZ2 LYS 19 1HZ LYS 19 -2.788 0.142 8.796
136 HZ3 LYS 19 2HZ LYS 19 -2.929 1.821 8.914
137 H VAL 20 H VAL 20 2.030 1.610 2.433
138 HA VAL 20 HA VAL 20 3.661 3.556 3.763
139 HB VAL 20 HB VAL 20 4.060 2.881 1.403
140 HG11 VAL 20 1HG1 VAL 20 1.437 4.278 0.946
141 HG12 VAL 20 2HG1 VAL 20 1.895 2.636 0.499
142 HG13 VAL 20 3HG1 VAL 20 2.613 4.009 -0.338
143 HG21 VAL 20 3HG2 VAL 20 4.817 4.964 0.708
144 HG22 VAL 20 1HG2 VAL 20 4.712 5.142 2.458
145 HG23 VAL 20 2HG2 VAL 20 3.451 5.813 1.426
146 H GLY 21 H GLY 21 0.348 3.235 2.869
147 HA2 GLY 21 2HA GLY 21 -0.501 5.414 4.459
148 HA3 GLY 21 1HA GLY 21 -0.513 5.880 2.762
149 H SER 22 H SER 22 -2.696 5.954 2.363
150 HA SER 22 HA SER 22 -4.044 3.408 2.198
151 HB2 SER 22 2HB SER 22 -5.294 5.579 3.881
152 HB3 SER 22 1HB SER 22 -5.914 3.954 3.606
153 HG SER 22 HG SER 22 -3.602 3.471 4.544
154 H CYS 23 H CYS 23 -5.628 3.384 0.691
155 HA CYS 23 HA CYS 23 -5.842 5.749 -0.987
156 HB2 CYS 23 2HB CYS 23 -6.869 2.941 -1.482
157 HB3 CYS 23 1HB CYS 23 -6.817 4.254 -2.653
158 H PHE 24 H PHE 24 -8.530 4.258 -1.830
159 HA PHE 24 HA PHE 24 -10.191 6.060 -0.304
160 HB2 PHE 24 2HB PHE 24 -10.700 4.234 -2.631
161 HB3 PHE 24 1HB PHE 24 -12.022 5.011 -1.773
162 HD1 PHE 24 2HD PHE 24 -8.823 5.802 -3.509
163 HD2 PHE 24 1HD PHE 24 -12.722 7.095 -2.401
164 HE1 PHE 24 2HE PHE 24 -8.542 7.817 -4.893
165 HE2 PHE 24 1HE PHE 24 -12.452 9.112 -3.790
166 HZ PHE 24 HZ PHE 24 -10.358 9.475 -5.034
167 H GLY 25 H GLY 25 -12.239 5.393 0.549
168 HA2 GLY 25 2HA GLY 25 -13.540 4.251 2.007
169 HA3 GLY 25 1HA GLY 25 -12.976 2.797 1.206
170 H PHE 26 H PHE 26 -10.838 1.988 1.919
171 HA PHE 26 HA PHE 26 -9.782 2.729 4.452
172 HB2 PHE 26 2HB PHE 26 -10.443 0.506 5.548
173 HB3 PHE 26 1HB PHE 26 -11.693 1.738 5.435
174 HD1 PHE 26 1HD PHE 26 -10.370 -0.928 3.154
175 HD2 PHE 26 2HD PHE 26 -13.759 0.882 4.984
176 HE1 PHE 26 1HE PHE 26 -11.842 -2.499 1.972
177 HE2 PHE 26 2HE PHE 26 -15.234 -0.690 3.808
178 HZ PHE 26 HZ PHE 26 -14.279 -2.383 2.299
179 H ARG 27 H ARG 27 -9.066 1.994 1.672
180 HA ARG 27 HA ARG 27 -7.662 -0.512 1.835
181 HB2 ARG 27 2HB ARG 27 -7.510 1.693 -0.204
182 HB3 ARG 27 1HB ARG 27 -6.767 0.119 -0.344
183 HG2 ARG 27 2HG ARG 27 -9.708 0.594 -0.110
184 HG3 ARG 27 1HG ARG 27 -8.834 0.378 -1.627
185 HD2 ARG 27 2HD ARG 27 -8.040 -1.825 -0.726
186 HD3 ARG 27 1HD ARG 27 -9.182 -1.608 0.597
187 HE ARG 27 HE ARG 27 -10.556 -1.204 -1.761
188 HH11 ARG 27 1HH1 ARG 27 -8.866 -3.810 -0.162
189 HH12 ARG 27 2HH1 ARG 27 -9.820 -5.059 -0.895
190 HH21 ARG 27 1HH2 ARG 27 -11.823 -2.844 -2.735
191 HH22 ARG 27 2HH2 ARG 27 -11.501 -4.508 -2.366
192 H SER 28 H SER 28 -5.620 -0.862 2.393
193 HA SER 28 HA SER 28 -4.035 1.397 3.325
194 HB2 SER 28 2HB SER 28 -3.907 -0.253 4.933
195 HB3 SER 28 1HB SER 28 -3.978 -1.562 3.759
196 HG SER 28 HG SER 28 -1.905 -1.144 4.854
197 H CYS 29 H CYS 29 -2.659 2.335 1.983
198 HA CYS 29 HA CYS 29 -1.929 1.140 -0.512
199 HB2 CYS 29 2HB CYS 29 -2.215 3.629 -0.104
200 HB3 CYS 29 1HB CYS 29 -0.690 3.581 0.774
201 H CYS 30 H CYS 30 -0.424 -0.385 -0.669
202 HA CYS 30 HA CYS 30 1.605 -0.557 1.428
203 HB2 CYS 30 2HB CYS 30 1.777 -2.858 0.915
204 HB3 CYS 30 1HB CYS 30 0.075 -2.471 0.944
205 H LYS 31 H LYS 31 3.758 -0.803 1.006
206 HA LYS 31 HA LYS 31 4.734 -0.522 -1.725
207 HB2 LYS 31 2HB LYS 31 5.347 1.388 0.537
208 HB3 LYS 31 1HB LYS 31 6.348 1.266 -0.903
209 HG2 LYS 31 2HG LYS 31 3.419 1.954 -0.918
210 HG3 LYS 31 1HG LYS 31 4.729 3.131 -0.973
211 HD2 LYS 31 2HD LYS 31 5.558 1.987 -3.040
212 HD3 LYS 31 1HD LYS 31 4.097 0.999 -3.009
213 HE2 LYS 31 2HE LYS 31 3.677 2.764 -4.515
214 HE3 LYS 31 1HE LYS 31 2.782 3.146 -3.046
215 HZ1 LYS 31 3HZ LYS 31 4.147 4.983 -4.176
216 HZ2 LYS 31 1HZ LYS 31 5.489 4.235 -3.476
217 HZ3 LYS 31 2HZ LYS 31 4.249 4.837 -2.496
218 H TRP 32 H TRP 32 6.715 -1.478 -2.031
219 HA TRP 32 HA TRP 32 7.416 -3.602 -0.448
220 HB2 TRP 32 2HB TRP 32 9.203 -2.048 -2.324
221 HB3 TRP 32 1HB TRP 32 9.549 -3.657 -1.699
222 HD1 TRP 32 HD TRP 32 7.024 -1.859 -4.002
223 HE1 TRP 32 1HE TRP 32 6.060 -3.591 -5.644
224 HE3 TRP 32 3HE TRP 32 9.179 -6.078 -2.085
225 HZ2 TRP 32 2HZ TRP 32 6.187 -6.381 -6.061
226 HZ3 TRP 32 3HZ TRP 32 8.703 -8.240 -3.159
227 HH2 TRP 32 HH TRP 32 7.235 -8.387 -5.106
228 HA PRO 33 HA PRO 33 9.214 -1.965 3.254
229 HB2 PRO 33 2HB PRO 33 10.873 -4.433 3.008
230 HB3 PRO 33 1HB PRO 33 9.960 -3.827 4.393
231 HG2 PRO 33 2HG PRO 33 9.059 -5.865 2.917
232 HG3 PRO 33 1HG PRO 33 7.957 -4.661 3.605
233 HD2 PRO 33 2HD PRO 33 8.847 -5.025 0.798
234 HD3 PRO 33 1HD PRO 33 7.324 -4.376 1.424
235 H TRP 34 H TRP 34 11.242 -3.374 0.736
236 HA TRP 34 HA TRP 34 13.696 -2.344 1.459
237 HB2 TRP 34 2HB TRP 34 12.601 -2.829 -1.313
238 HB3 TRP 34 1HB TRP 34 14.281 -2.487 -0.965
239 HD1 TRP 34 HD TRP 34 15.755 -4.426 -0.380
240 HE1 TRP 34 1HE TRP 34 15.442 -6.955 0.000
241 HE3 TRP 34 3HE TRP 34 10.657 -4.599 -0.358
242 HZ2 TRP 34 2HZ TRP 34 13.306 -8.773 0.256
243 HZ3 TRP 34 3HZ TRP 34 9.554 -6.774 -0.046
244 HH2 TRP 34 HH TRP 34 10.852 -8.816 0.251
245 H ASN 35 H ASN 35 11.039 -0.835 -0.269
246 HA ASN 35 HA ASN 35 12.564 1.624 -0.637
247 HB2 ASN 35 2HB ASN 35 9.745 0.914 -1.479
248 HB3 ASN 35 1HB ASN 35 10.571 2.417 -1.870
249 HD21 ASN 35 1HD2 ASN 35 11.788 2.492 -3.637
250 HD22 ASN 35 2HD2 ASN 35 12.211 1.132 -4.615
251 H ALA 36 H ALA 36 12.033 0.850 2.036
252 HA ALA 36 HA ALA 36 10.511 3.193 2.884
253 HB1 ALA 36 1HB ALA 36 8.985 1.197 2.905
254 HB2 ALA 36 2HB ALA 36 9.183 1.998 4.463
255 HB3 ALA 36 3HB ALA 36 10.036 0.491 4.133
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