Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637244 | 6o3s RC | 30580 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 8.667 10.284 10.904
2 H3 PRO 1 HT2 PRO 1 9.418 9.871 12.278
3 HA PRO 1 HA PRO 1 10.196 8.128 11.450
4 HB2 PRO 1 HB2 PRO 1 7.916 7.349 9.751
5 HB3 PRO 1 HB1 PRO 1 8.848 6.373 10.893
6 HG2 PRO 1 HG2 PRO 1 6.366 7.295 11.464
7 HG3 PRO 1 HG1 PRO 1 7.603 7.024 12.698
8 HD2 PRO 1 HD2 PRO 1 6.587 9.581 11.572
9 HD3 PRO 1 HD1 PRO 1 7.287 9.248 13.163
10 H ARG 2 H ARG 2 10.461 7.215 8.960
11 HA ARG 2 HA ARG 2 10.559 9.648 7.320
12 HB2 ARG 2 HB2 ARG 2 12.573 7.398 7.434
13 HB3 ARG 2 HB1 ARG 2 12.603 8.713 6.271
14 HG2 ARG 2 HG2 ARG 2 12.972 8.921 9.249
15 HG3 ARG 2 HG1 ARG 2 14.199 9.142 7.999
16 HD2 ARG 2 HD2 ARG 2 11.779 10.864 8.491
17 HD3 ARG 2 HD1 ARG 2 13.456 11.295 8.818
18 HE ARG 2 HE ARG 2 13.634 10.844 6.267
19 HH11 ARG 2 HH11 ARG 2 11.052 12.591 7.976
20 HH12 ARG 2 HH12 ARG 2 10.649 13.573 6.650
21 HH21 ARG 2 HH21 ARG 2 13.059 12.212 4.421
22 HH22 ARG 2 HH22 ARG 2 11.837 13.369 4.614
23 H GLY 3 H GLY 3 11.030 8.881 4.904
24 HA2 GLY 3 HA2 GLY 3 10.400 6.673 3.705
25 HA3 GLY 3 HA1 GLY 3 8.816 7.115 4.326
26 H SER 4 H SER 4 8.741 6.935 1.854
27 HA SER 4 HA SER 4 8.897 9.627 0.761
28 HB2 SER 4 HB2 SER 4 9.433 8.413 -1.437
29 HB3 SER 4 HB1 SER 4 10.657 8.232 -0.200
30 HG SER 4 HG SER 4 10.209 6.230 0.045
31 HA PRO 5 HA PRO 5 4.522 9.010 -0.076
32 HB2 PRO 5 HB2 PRO 5 4.003 9.362 -2.626
33 HB3 PRO 5 HB1 PRO 5 4.630 10.710 -1.637
34 HG2 PRO 5 HG2 PRO 5 6.099 8.773 -3.375
35 HG3 PRO 5 HG1 PRO 5 6.153 10.542 -3.487
36 HD2 PRO 5 HD2 PRO 5 8.042 9.289 -2.226
37 HD3 PRO 5 HD1 PRO 5 7.345 10.733 -1.456
38 H ARG 6 H ARG 6 6.520 6.803 -1.289
39 HA ARG 6 HA ARG 6 4.384 5.093 -2.462
40 HB2 ARG 6 HB2 ARG 6 6.208 3.666 -3.342
41 HB3 ARG 6 HB1 ARG 6 6.205 5.307 -3.998
42 HG2 ARG 6 HG2 ARG 6 8.081 5.901 -2.630
43 HG3 ARG 6 HG1 ARG 6 7.984 4.378 -1.752
44 HD2 ARG 6 HD2 ARG 6 8.644 3.143 -3.694
45 HD3 ARG 6 HD1 ARG 6 8.531 4.582 -4.707
46 HE ARG 6 HE ARG 6 10.344 5.484 -3.246
47 HH11 ARG 6 HH11 ARG 6 10.075 1.931 -3.588
48 HH12 ARG 6 HH12 ARG 6 11.734 1.673 -3.667
49 HH21 ARG 6 HH21 ARG 6 12.648 5.099 -3.295
50 HH22 ARG 6 HH22 ARG 6 13.269 3.533 -3.476
51 H THR 7 H THR 7 6.474 5.429 0.155
52 HA THR 7 HA THR 7 7.229 2.984 0.901
53 HB THR 7 HB THR 7 6.456 5.256 2.706
54 HG1 THR 7 HG1 THR 7 8.715 4.639 1.100
55 HG21 THR 7 HG21 THR 7 7.026 3.156 3.814
56 HG22 THR 7 HG22 THR 7 8.274 4.415 4.034
57 HG23 THR 7 HG23 THR 7 8.513 3.111 2.849
58 H GLU 8 H GLU 8 4.116 4.481 1.885
59 HA GLU 8 HA GLU 8 3.428 2.455 3.729
60 HB2 GLU 8 HB2 GLU 8 2.285 4.659 3.630
61 HB3 GLU 8 HB1 GLU 8 1.535 4.144 2.121
62 HG2 GLU 8 HG2 GLU 8 0.421 2.319 3.269
63 HG3 GLU 8 HG1 GLU 8 1.176 2.803 4.784
64 H TYR 9 H TYR 9 2.801 2.806 0.300
65 HA TYR 9 HA TYR 9 1.019 0.642 0.072
66 HB2 TYR 9 HB2 TYR 9 0.828 2.379 -1.474
67 HB3 TYR 9 HB1 TYR 9 2.559 2.465 -1.737
68 HD1 TYR 9 HD1 TYR 9 -0.463 0.569 -2.442
69 HD2 TYR 9 HD2 TYR 9 3.574 1.210 -3.283
70 HE1 TYR 9 HE1 TYR 9 -0.705 -0.871 -4.438
71 HE2 TYR 9 HE2 TYR 9 3.439 -0.214 -5.314
72 HH TYR 9 HH TYR 9 0.544 -1.085 -6.665
73 H GLU 10 H GLU 10 4.368 1.233 -0.767
74 HA GLU 10 HA GLU 10 5.056 -1.241 -1.802
75 HB2 GLU 10 HB2 GLU 10 6.265 0.864 -2.073
76 HB3 GLU 10 HB1 GLU 10 6.718 0.815 -0.384
77 HG2 GLU 10 HG2 GLU 10 8.056 -1.135 -0.759
78 HG3 GLU 10 HG1 GLU 10 7.522 -1.206 -2.443
79 H ALA 11 H ALA 11 5.571 0.058 1.486
80 HA ALA 11 HA ALA 11 6.779 -2.231 2.549
81 HB1 ALA 11 HB1 ALA 11 6.946 -0.030 3.597
82 HB2 ALA 11 HB2 ALA 11 6.333 -1.234 4.734
83 HB3 ALA 11 HB3 ALA 11 5.227 -0.084 3.984
84 H CYS 12 H CYS 12 3.444 -1.332 2.140
85 HA CYS 12 HA CYS 12 2.278 -3.247 3.852
86 HB2 CYS 12 HB2 CYS 12 1.068 -1.307 2.845
87 HB3 CYS 12 HB1 CYS 12 1.177 -2.098 1.286
88 H ARG 13 H ARG 13 3.141 -3.295 0.407
89 HA ARG 13 HA ARG 13 2.172 -5.896 -0.080
90 HB2 ARG 13 HB2 ARG 13 4.307 -4.360 -1.580
91 HB3 ARG 13 HB1 ARG 13 3.513 -5.817 -2.160
92 HG2 ARG 13 HG2 ARG 13 1.347 -4.584 -2.091
93 HG3 ARG 13 HG1 ARG 13 2.248 -3.126 -1.675
94 HD2 ARG 13 HD2 ARG 13 1.802 -3.134 -4.048
95 HD3 ARG 13 HD1 ARG 13 3.529 -3.372 -3.787
96 HE ARG 13 HE ARG 13 2.615 -5.889 -3.949
97 HH11 ARG 13 HH11 ARG 13 2.232 -3.111 -6.158
98 HH12 ARG 13 HH12 ARG 13 2.016 -4.093 -7.521
99 HH21 ARG 13 HH21 ARG 13 2.334 -7.170 -5.805
100 HH22 ARG 13 HH22 ARG 13 2.073 -6.445 -7.345
101 H VAL 14 H VAL 14 5.340 -4.642 0.781
102 HA VAL 14 HA VAL 14 6.722 -7.094 0.761
103 HB VAL 14 HB VAL 14 7.267 -4.612 2.430
104 HG11 VAL 14 HG11 VAL 14 9.561 -5.459 2.658
105 HG12 VAL 14 HG12 VAL 14 9.096 -6.942 1.825
106 HG13 VAL 14 3HG1 VAL 14 8.395 -6.559 3.397
107 HG21 VAL 14 HG21 VAL 14 8.420 -5.539 -0.197
108 HG22 VAL 14 HG22 VAL 14 8.949 -4.125 0.709
109 HG23 VAL 14 HG23 VAL 14 7.317 -4.182 0.040
110 H ARG 15 H ARG 15 5.035 -5.415 3.385
111 HA ARG 15 HA ARG 15 5.578 -7.090 5.539
112 HB2 ARG 15 HB2 ARG 15 4.360 -4.897 5.624
113 HB3 ARG 15 HB1 ARG 15 2.955 -5.704 4.956
114 HG2 ARG 15 HG2 ARG 15 2.927 -7.187 6.954
115 HG3 ARG 15 HG1 ARG 15 4.233 -6.212 7.633
116 HD2 ARG 15 HD2 ARG 15 2.191 -5.391 8.549
117 HD3 ARG 15 HD1 ARG 15 2.753 -4.206 7.372
118 HE ARG 15 HE ARG 15 0.672 -6.204 6.757
119 HH11 ARG 15 HH11 ARG 15 1.825 -2.844 6.531
120 HH12 ARG 15 HH12 ARG 15 0.389 -2.270 5.834
121 HH21 ARG 15 HH21 ARG 15 -1.263 -5.409 5.794
122 HH22 ARG 15 HH22 ARG 15 -1.419 -3.772 5.375
123 H CYS 16 H CYS 16 2.801 -7.161 3.345
124 HA CYS 16 HA CYS 16 1.861 -9.594 4.426
125 HB2 CYS 16 HB2 CYS 16 1.026 -8.072 1.966
126 HB3 CYS 16 HB1 CYS 16 0.182 -9.488 2.595
127 H GLN 17 H GLN 17 4.256 -8.964 2.103
128 HA GLN 17 HA GLN 17 3.875 -11.416 0.672
129 HB2 GLN 17 HB2 GLN 17 5.049 -9.393 -0.274
130 HB3 GLN 17 HB1 GLN 17 6.380 -9.734 0.821
131 HG2 GLN 17 HG2 GLN 17 6.820 -10.573 -1.416
132 HG3 GLN 17 HG1 GLN 17 6.731 -11.884 -0.238
133 HE21 GLN 17 1HE2 GLN 17 6.226 -13.394 -1.789
134 HE22 GLN 17 2HE2 GLN 17 4.698 -13.462 -2.586
135 H VAL 18 H VAL 18 5.807 -10.262 3.340
136 HA VAL 18 HA VAL 18 7.184 -12.773 3.658
137 HB VAL 18 HB VAL 18 7.080 -10.405 5.546
138 HG11 VAL 18 HG11 VAL 18 7.842 -12.434 6.639
139 HG12 VAL 18 HG12 VAL 18 9.178 -11.300 6.452
140 HG13 VAL 18 3HG1 VAL 18 9.044 -12.688 5.374
141 HG21 VAL 18 HG21 VAL 18 9.092 -11.035 3.385
142 HG22 VAL 18 HG22 VAL 18 9.239 -9.739 4.572
143 HG23 VAL 18 HG23 VAL 18 7.938 -9.702 3.381
144 H ALA 19 H ALA 19 4.801 -10.908 5.521
145 HA ALA 19 HA ALA 19 4.556 -12.925 7.513
146 HB1 ALA 19 HB1 ALA 19 4.348 -10.541 8.020
147 HB2 ALA 19 HB2 ALA 19 2.946 -11.470 8.551
148 HB3 ALA 19 HB3 ALA 19 2.849 -10.487 7.089
149 H GLU 20 H GLU 20 2.538 -12.001 4.748
150 HA GLU 20 HA GLU 20 0.494 -13.898 5.649
151 HB2 GLU 20 HB2 GLU 20 0.511 -12.090 3.228
152 HB3 GLU 20 HB1 GLU 20 -0.840 -13.069 3.763
153 HG2 GLU 20 HG2 GLU 20 0.382 -10.820 5.337
154 HG3 GLU 20 HG1 GLU 20 -1.045 -10.670 4.317
155 H HIS 21 H HIS 21 2.181 -13.199 2.615
156 HA HIS 21 HA HIS 21 2.655 -14.401 0.792
157 HB2 HIS 21 HB2 HIS 21 4.374 -15.358 2.284
158 HB3 HIS 21 HB1 HIS 21 3.245 -16.611 2.781
159 HD1 HIS 21 HD1 HIS 21 3.888 -18.783 1.687
160 HD2 HIS 21 HD2 HIS 21 4.544 -15.514 -0.799
161 HE1 HIS 21 HE1 HIS 21 4.761 -19.715 -0.475
162 H GLY 22 H GLY 22 0.654 -14.335 -0.097
163 HA2 GLY 22 HA2 GLY 22 -0.439 -16.714 -0.935
164 HA3 GLY 22 HA1 GLY 22 -1.395 -16.160 0.447
165 H VAL 23 H VAL 23 -2.147 -16.353 -2.397
166 HA VAL 23 HA VAL 23 -2.023 -13.814 -3.622
167 HB VAL 23 HB VAL 23 -4.013 -16.038 -4.164
168 HG11 VAL 23 HG11 VAL 23 -4.260 -15.020 -6.370
169 HG12 VAL 23 HG12 VAL 23 -3.218 -13.690 -5.867
170 HG13 VAL 23 3HG1 VAL 23 -4.772 -13.937 -5.078
171 HG21 VAL 23 HG21 VAL 23 -2.507 -16.686 -5.968
172 HG22 VAL 23 HG22 VAL 23 -1.704 -16.796 -4.400
173 HG23 VAL 23 HG23 VAL 23 -1.367 -15.438 -5.475
174 H GLU 24 H GLU 24 -4.607 -15.399 -1.778
175 HA GLU 24 HA GLU 24 -6.557 -13.428 -2.183
176 HB2 GLU 24 HB2 GLU 24 -6.923 -15.769 -1.381
177 HB3 GLU 24 HB1 GLU 24 -6.255 -15.281 0.171
178 HG2 GLU 24 HG2 GLU 24 -8.598 -15.266 0.349
179 HG3 GLU 24 HG1 GLU 24 -8.032 -13.589 0.331
180 H ARG 25 H ARG 25 -4.198 -13.966 0.341
181 HA ARG 25 HA ARG 25 -5.022 -11.756 1.921
182 HB2 ARG 25 HB2 ARG 25 -2.503 -13.403 1.966
183 HB3 ARG 25 HB1 ARG 25 -2.868 -12.145 3.142
184 HG2 ARG 25 HG2 ARG 25 -4.896 -13.355 3.798
185 HG3 ARG 25 HG1 ARG 25 -4.505 -14.626 2.642
186 HD2 ARG 25 HD2 ARG 25 -2.491 -15.154 3.836
187 HD3 ARG 25 HD1 ARG 25 -2.727 -13.784 4.918
188 HE ARG 25 HE ARG 25 -4.478 -16.142 4.800
189 HH11 ARG 25 HH11 ARG 25 -3.082 -13.448 6.643
190 HH12 ARG 25 HH12 ARG 25 -3.616 -14.043 8.149
191 HH21 ARG 25 HH21 ARG 25 -5.199 -16.910 6.839
192 HH22 ARG 25 HH22 ARG 25 -4.854 -16.054 8.280
193 H GLN 26 H GLN 26 -2.660 -12.185 -0.624
194 HA GLN 26 HA GLN 26 -1.385 -9.689 -0.380
195 HB2 GLN 26 HB2 GLN 26 -0.428 -11.518 -1.677
196 HB3 GLN 26 HB1 GLN 26 -1.799 -11.496 -2.767
197 HG2 GLN 26 HG2 GLN 26 -1.120 -9.386 -3.674
198 HG3 GLN 26 HG1 GLN 26 0.152 -9.223 -2.462
199 HE21 GLN 26 1HE2 GLN 26 0.297 -9.329 -5.403
200 HE22 GLN 26 2HE2 GLN 26 1.388 -10.629 -5.752
201 H ARG 27 H ARG 27 -4.182 -10.799 -2.224
202 HA ARG 27 HA ARG 27 -4.847 -8.437 -3.569
203 HB2 ARG 27 HB2 ARG 27 -6.725 -10.500 -2.408
204 HB3 ARG 27 HB1 ARG 27 -7.189 -9.255 -3.546
205 HG2 ARG 27 HG2 ARG 27 -5.753 -10.257 -5.234
206 HG3 ARG 27 HG1 ARG 27 -5.257 -11.496 -4.076
207 HD2 ARG 27 HD2 ARG 27 -6.996 -12.388 -5.488
208 HD3 ARG 27 HD1 ARG 27 -7.623 -12.183 -3.852
209 HE ARG 27 HE ARG 27 -8.096 -10.132 -5.891
210 HH11 ARG 27 HH11 ARG 27 -9.463 -12.367 -3.471
211 HH12 ARG 27 HH12 ARG 27 -11.069 -12.040 -3.887
212 HH21 ARG 27 HH21 ARG 27 -10.303 -9.639 -6.401
213 HH22 ARG 27 HH22 ARG 27 -11.574 -10.421 -5.563
214 H ARG 28 H ARG 28 -5.834 -9.618 -0.405
215 HA ARG 28 HA ARG 28 -7.540 -7.581 0.393
216 HB2 ARG 28 HB2 ARG 28 -7.282 -9.700 1.583
217 HB3 ARG 28 HB1 ARG 28 -5.666 -9.230 2.080
218 HG2 ARG 28 HG2 ARG 28 -6.605 -7.375 3.367
219 HG3 ARG 28 HG1 ARG 28 -8.232 -7.877 2.895
220 HD2 ARG 28 HD2 ARG 28 -6.240 -9.494 4.482
221 HD3 ARG 28 HD1 ARG 28 -7.697 -8.723 5.108
222 HE ARG 28 HE ARG 28 -8.741 -10.237 3.246
223 HH11 ARG 28 HH11 ARG 28 -6.314 -11.074 5.688
224 HH12 ARG 28 HH12 ARG 28 -6.746 -12.725 5.758
225 HH21 ARG 28 HH21 ARG 28 -9.322 -12.520 3.327
226 HH22 ARG 28 HH22 ARG 28 -8.494 -13.566 4.368
227 H CYS 29 H CYS 29 -4.063 -7.907 1.170
228 HA CYS 29 HA CYS 29 -3.807 -5.459 2.480
229 HB2 CYS 29 HB2 CYS 29 -1.745 -7.124 1.033
230 HB3 CYS 29 HB1 CYS 29 -1.380 -5.781 2.108
231 H GLN 30 H GLN 30 -3.233 -6.382 -0.909
232 HA GLN 30 HA GLN 30 -2.206 -3.923 -1.731
233 HB2 GLN 30 HB2 GLN 30 -2.004 -5.974 -3.070
234 HB3 GLN 30 HB1 GLN 30 -3.738 -5.976 -3.337
235 HG2 GLN 30 HG2 GLN 30 -2.666 -5.150 -5.300
236 HG3 GLN 30 HG1 GLN 30 -3.513 -3.813 -4.530
237 HE21 GLN 30 1HE2 GLN 30 -1.367 -3.757 -6.424
238 HE22 GLN 30 2HE2 GLN 30 -0.058 -2.905 -5.685
239 H GLN 31 H GLN 31 -5.513 -5.182 -1.760
240 HA GLN 31 HA GLN 31 -6.707 -3.070 -3.114
241 HB2 GLN 31 HB2 GLN 31 -7.824 -5.206 -2.738
242 HB3 GLN 31 HB1 GLN 31 -7.915 -4.878 -1.022
243 HG2 GLN 31 HG2 GLN 31 -10.053 -4.506 -2.108
244 HG3 GLN 31 HG1 GLN 31 -9.410 -2.995 -1.462
245 HE21 GLN 31 1HE2 GLN 31 -8.710 -1.428 -2.886
246 HE22 GLN 31 2HE2 GLN 31 -9.086 -1.445 -4.564
247 H VAL 32 H VAL 32 -6.060 -3.387 0.350
248 HA VAL 32 HA VAL 32 -7.442 -0.912 0.802
249 HB VAL 32 HB VAL 32 -7.558 -2.604 2.579
250 HG11 VAL 32 HG11 VAL 32 -5.647 -3.096 4.032
251 HG12 VAL 32 HG12 VAL 32 -4.600 -2.209 2.922
252 HG13 VAL 32 3HG1 VAL 32 -5.420 -3.674 2.380
253 HG21 VAL 32 HG21 VAL 32 -6.105 -0.116 3.461
254 HG22 VAL 32 HG22 VAL 32 -7.036 -1.181 4.514
255 HG23 VAL 32 HG23 VAL 32 -7.844 -0.287 3.225
256 H CYS 33 H CYS 33 -4.049 -1.918 0.720
257 HA CYS 33 HA CYS 33 -3.138 0.653 1.491
258 HB2 CYS 33 HB2 CYS 33 -1.638 -1.679 0.324
259 HB3 CYS 33 HB1 CYS 33 -0.890 -0.228 0.984
260 H GLU 34 H GLU 34 -3.698 -0.851 -1.631
261 HA GLU 34 HA GLU 34 -2.355 1.117 -3.165
262 HB2 GLU 34 HB2 GLU 34 -3.023 -1.147 -3.987
263 HB3 GLU 34 HB1 GLU 34 -4.699 -0.650 -3.894
264 HG2 GLU 34 HG2 GLU 34 -4.232 1.094 -5.563
265 HG3 GLU 34 HG1 GLU 34 -2.581 0.484 -5.692
266 H LYS 35 H LYS 35 -5.611 0.708 -1.902
267 HA LYS 35 HA LYS 35 -6.663 2.997 -3.204
268 HB2 LYS 35 HB2 LYS 35 -8.036 1.077 -2.279
269 HB3 LYS 35 HB1 LYS 35 -7.719 1.726 -0.676
270 HG2 LYS 35 HG2 LYS 35 -8.880 3.785 -1.244
271 HG3 LYS 35 HG1 LYS 35 -9.134 3.209 -2.890
272 HD2 LYS 35 HD2 LYS 35 -11.170 2.874 -1.677
273 HD3 LYS 35 HD1 LYS 35 -10.431 1.296 -1.937
274 HE2 LYS 35 HE2 LYS 35 -11.236 1.368 0.309
275 HE3 LYS 35 HE1 LYS 35 -9.481 1.456 0.382
276 HZ1 LYS 35 HZ1 LYS 35 -10.301 3.061 1.869
277 HZ2 LYS 35 HZ2 LYS 35 -11.445 3.620 0.784
278 HZ3 LYS 35 HZ3 LYS 35 -9.830 3.987 0.527
279 H ARG 36 H ARG 36 -5.380 2.391 0.056
280 HA ARG 36 HA ARG 36 -5.633 4.934 1.150
281 HB2 ARG 36 HB2 ARG 36 -3.465 2.871 1.540
282 HB3 ARG 36 HB1 ARG 36 -3.519 4.367 2.455
283 HG2 ARG 36 HG2 ARG 36 -5.651 3.750 3.404
284 HG3 ARG 36 HG1 ARG 36 -5.694 2.296 2.406
285 HD2 ARG 36 HD2 ARG 36 -5.024 1.806 4.703
286 HD3 ARG 36 HD1 ARG 36 -3.750 1.419 3.550
287 HE ARG 36 HE ARG 36 -2.768 3.634 4.219
288 HH11 ARG 36 HH11 ARG 36 -4.663 1.633 6.498
289 HH12 ARG 36 HH12 ARG 36 -3.928 2.257 7.882
290 HH21 ARG 36 HH21 ARG 36 -1.683 4.409 6.167
291 HH22 ARG 36 HH22 ARG 36 -2.205 3.913 7.711
292 H LEU 37 H LEU 37 -3.061 3.616 -0.837
293 HA LEU 37 HA LEU 37 -1.353 5.824 -0.905
294 HB2 LEU 37 HB2 LEU 37 -0.859 3.464 -1.583
295 HB3 LEU 37 HB1 LEU 37 -1.821 3.702 -3.011
296 HG LEU 37 HG LEU 37 0.658 3.729 -3.382
297 HD11 LEU 37 HD11 LEU 37 -0.766 4.742 -5.039
298 HD12 LEU 37 HD12 LEU 37 0.742 5.643 -4.873
299 HD13 LEU 37 HD13 LEU 37 -0.743 6.271 -4.157
300 HD21 LEU 37 HD21 LEU 37 0.514 6.329 -1.890
301 HD22 LEU 37 HD22 LEU 37 1.921 5.723 -2.753
302 HD23 LEU 37 HD23 LEU 37 1.311 4.857 -1.344
303 H ARG 38 H ARG 38 -3.771 4.735 -3.257
304 HA ARG 38 HA ARG 38 -3.448 6.866 -5.040
305 HB2 ARG 38 HB2 ARG 38 -4.421 4.689 -5.619
306 HB3 ARG 38 HB1 ARG 38 -5.835 5.072 -4.656
307 HG2 ARG 38 HG2 ARG 38 -6.344 6.938 -6.165
308 HG3 ARG 38 HG1 ARG 38 -4.937 6.515 -7.144
309 HD2 ARG 38 HD2 ARG 38 -6.967 5.581 -8.108
310 HD3 ARG 38 HD1 ARG 38 -5.890 4.298 -7.551
311 HE ARG 38 HE ARG 38 -8.153 5.270 -5.960
312 HH11 ARG 38 HH11 ARG 38 -6.384 2.557 -7.431
313 HH12 ARG 38 HH12 ARG 38 -7.320 1.368 -6.696
314 HH21 ARG 38 HH21 ARG 38 -9.443 3.567 -4.917
315 HH22 ARG 38 HH22 ARG 38 -9.074 1.929 -5.227
316 H GLU 39 H GLU 39 -5.743 6.442 -2.358
317 HA GLU 39 HA GLU 39 -7.139 8.835 -2.994
318 HB2 GLU 39 HB2 GLU 39 -7.057 7.285 -0.416
319 HB3 GLU 39 HB1 GLU 39 -8.138 8.636 -0.721
320 HG2 GLU 39 HG2 GLU 39 -9.126 7.353 -2.607
321 HG3 GLU 39 HG1 GLU 39 -8.111 5.985 -2.151
322 H ARG 40 H ARG 40 -4.375 8.100 -0.966
323 HA ARG 40 HA ARG 40 -4.314 10.653 0.303
324 HB2 ARG 40 HB2 ARG 40 -3.140 8.732 1.305
325 HB3 ARG 40 HB1 ARG 40 -2.092 8.650 -0.099
326 HG2 ARG 40 HG2 ARG 40 -1.188 10.853 0.431
327 HG3 ARG 40 HG1 ARG 40 -2.238 10.942 1.845
328 HD2 ARG 40 HD2 ARG 40 -0.215 8.770 1.392
329 HD3 ARG 40 HD1 ARG 40 0.117 10.236 2.309
330 HE ARG 40 HE ARG 40 -1.505 9.524 3.900
331 HH11 ARG 40 HH11 ARG 40 -0.714 7.012 1.515
332 HH12 ARG 40 HH12 ARG 40 -0.973 5.730 2.633
333 HH21 ARG 40 HH21 ARG 40 -1.778 7.747 5.389
334 HH22 ARG 40 HH22 ARG 40 -1.439 6.152 4.842
335 H GLU 41 H GLU 41 -2.427 9.226 -2.348
336 HA GLU 41 HA GLU 41 -1.076 11.629 -2.900
337 HB2 GLU 41 HB2 GLU 41 -1.490 9.167 -4.589
338 HB3 GLU 41 HB1 GLU 41 -0.469 10.516 -5.064
339 HG2 GLU 41 HG2 GLU 41 -0.092 8.773 -2.641
340 HG3 GLU 41 HG1 GLU 41 0.852 8.706 -4.127
341 H GLY 42 H GLY 42 -4.124 10.297 -4.002
342 HA2 GLY 42 HA2 GLY 42 -4.516 12.157 -6.099
343 HA3 GLY 42 HA1 GLY 42 -5.772 11.209 -5.301
344 H ARG 43 H ARG 43 -4.937 12.262 -2.689
345 HA ARG 43 HA ARG 43 -6.499 14.703 -2.678
346 HB2 ARG 43 HB2 ARG 43 -6.905 12.936 -1.024
347 HB3 ARG 43 HB1 ARG 43 -5.246 13.033 -0.488
348 HG2 ARG 43 HG2 ARG 43 -5.638 15.179 0.502
349 HG3 ARG 43 HG1 ARG 43 -7.258 15.253 -0.201
350 HD2 ARG 43 HD2 ARG 43 -6.329 13.137 1.733
351 HD3 ARG 43 HD1 ARG 43 -7.252 14.569 2.191
352 HE ARG 43 HE ARG 43 -9.003 13.769 0.695
353 HH11 ARG 43 HH11 ARG 43 -6.721 11.359 1.943
354 HH12 ARG 43 HH12 ARG 43 -7.811 10.059 1.891
355 HH21 ARG 43 HH21 ARG 43 -10.505 11.965 0.587
356 HH22 ARG 43 HH22 ARG 43 -10.022 10.411 1.057
357 H ARG 44 H ARG 44 -3.355 13.911 -3.159
358 HA ARG 44 HA ARG 44 -2.334 16.384 -2.005
359 HB2 ARG 44 HB2 ARG 44 -0.929 13.851 -2.841
360 HB3 ARG 44 HB1 ARG 44 -0.081 15.345 -2.477
361 HG2 ARG 44 HG2 ARG 44 -0.897 15.298 -0.206
362 HG3 ARG 44 HG1 ARG 44 -1.848 13.848 -0.554
363 HD2 ARG 44 HD2 ARG 44 0.153 12.585 -0.976
364 HD3 ARG 44 HD1 ARG 44 1.137 14.040 -0.837
365 HE ARG 44 HE ARG 44 -0.161 13.868 1.533
366 HH11 ARG 44 HH11 ARG 44 1.803 11.496 -0.254
367 HH12 ARG 44 HH12 ARG 44 2.623 10.937 1.129
368 HH21 ARG 44 HH21 ARG 44 0.939 13.062 3.428
369 HH22 ARG 44 HH22 ARG 44 2.126 11.841 3.289
370 H GLU 45 H GLU 45 -0.431 17.188 -3.414
371 HA GLU 45 HA GLU 45 -1.330 17.223 -6.196
372 HB2 GLU 45 HB2 GLU 45 -1.758 19.316 -4.914
373 HB3 GLU 45 HB1 GLU 45 -0.039 19.437 -4.593
374 HG2 GLU 45 HG2 GLU 45 0.430 19.818 -6.897
375 HG3 GLU 45 HG1 GLU 45 -1.240 19.466 -7.344
376 H VAL 46 H VAL 46 0.111 16.221 -7.434
377 HA VAL 46 HA VAL 46 2.784 15.748 -6.402
378 HB VAL 46 HB VAL 46 1.392 13.860 -7.307
379 HG11 VAL 46 HG11 VAL 46 0.246 14.875 -9.109
380 HG12 VAL 46 HG12 VAL 46 1.200 13.526 -9.727
381 HG13 VAL 46 3HG1 VAL 46 1.756 15.182 -9.962
382 HG21 VAL 46 HG21 VAL 46 4.003 14.335 -8.728
383 HG22 VAL 46 HG22 VAL 46 3.178 12.781 -8.627
384 HG23 VAL 46 HG23 VAL 46 3.780 13.553 -7.161
385 H ASP 47 H ASP 47 4.650 16.376 -7.476
386 HA ASP 47 HA ASP 47 4.282 18.590 -9.330
387 HB2 ASP 47 HB2 ASP 47 6.670 17.665 -7.723
388 HB3 ASP 47 HB1 ASP 47 6.795 18.893 -8.971
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 14.964 10.539 -2.918
2 H3 PRO 1 HT2 PRO 1 14.852 9.025 -3.512
3 HA PRO 1 HA PRO 1 13.230 8.446 -2.267
4 HB2 PRO 1 HB2 PRO 1 13.321 10.447 -0.179
5 HB3 PRO 1 HB1 PRO 1 13.330 8.685 -0.035
6 HG2 PRO 1 HG2 PRO 1 15.592 10.534 0.010
7 HG3 PRO 1 HG1 PRO 1 15.534 8.827 0.473
8 HD2 PRO 1 HD2 PRO 1 16.853 9.711 -1.758
9 HD3 PRO 1 HD1 PRO 1 16.117 8.101 -1.648
10 H ARG 2 H ARG 2 11.123 9.592 -1.867
11 HA ARG 2 HA ARG 2 11.018 12.279 -2.964
12 HB2 ARG 2 HB2 ARG 2 9.331 9.956 -3.966
13 HB3 ARG 2 HB1 ARG 2 9.064 11.637 -4.384
14 HG2 ARG 2 HG2 ARG 2 11.304 11.678 -5.443
15 HG3 ARG 2 HG1 ARG 2 11.454 9.955 -5.115
16 HD2 ARG 2 HD2 ARG 2 9.309 11.252 -6.799
17 HD3 ARG 2 HD1 ARG 2 10.714 10.392 -7.418
18 HE ARG 2 HE ARG 2 9.445 8.616 -5.788
19 HH11 ARG 2 HH11 ARG 2 8.482 10.533 -8.614
20 HH12 ARG 2 HH12 ARG 2 7.373 9.407 -9.206
21 HH21 ARG 2 HH21 ARG 2 7.907 7.053 -6.587
22 HH22 ARG 2 HH22 ARG 2 7.030 7.349 -8.024
23 H GLY 3 H GLY 3 8.544 12.936 -2.763
24 HA2 GLY 3 HA2 GLY 3 7.845 12.453 0.000
25 HA3 GLY 3 HA1 GLY 3 7.050 13.583 -1.098
26 H SER 4 H SER 4 7.307 10.949 -2.833
27 HA SER 4 HA SER 4 4.691 10.249 -3.025
28 HB2 SER 4 HB2 SER 4 7.126 8.569 -3.566
29 HB3 SER 4 HB1 SER 4 5.543 8.409 -4.330
30 HG SER 4 HG SER 4 6.131 9.820 -5.668
31 HA PRO 5 HA PRO 5 4.367 7.904 0.866
32 HB2 PRO 5 HB2 PRO 5 1.732 7.578 0.777
33 HB3 PRO 5 HB1 PRO 5 2.449 9.159 1.174
34 HG2 PRO 5 HG2 PRO 5 1.366 8.152 -1.434
35 HG3 PRO 5 HG1 PRO 5 1.070 9.709 -0.647
36 HD2 PRO 5 HD2 PRO 5 2.839 9.429 -2.628
37 HD3 PRO 5 HD1 PRO 5 3.100 10.567 -1.293
38 H ARG 6 H ARG 6 3.929 6.950 -2.242
39 HA ARG 6 HA ARG 6 2.717 4.453 -2.103
40 HB2 ARG 6 HB2 ARG 6 4.025 3.757 -4.065
41 HB3 ARG 6 HB1 ARG 6 3.214 5.312 -4.267
42 HG2 ARG 6 HG2 ARG 6 5.324 6.454 -3.948
43 HG3 ARG 6 HG1 ARG 6 6.125 4.922 -3.609
44 HD2 ARG 6 HD2 ARG 6 4.700 5.491 -6.187
45 HD3 ARG 6 HD1 ARG 6 6.417 5.807 -5.969
46 HE ARG 6 HE ARG 6 6.235 3.252 -5.218
47 HH11 ARG 6 HH11 ARG 6 4.915 4.849 -8.088
48 HH12 ARG 6 HH12 ARG 6 5.153 3.503 -9.110
49 HH21 ARG 6 HH21 ARG 6 6.577 1.405 -6.647
50 HH22 ARG 6 HH22 ARG 6 6.116 1.529 -8.287
51 H THR 7 H THR 7 5.771 5.386 -0.959
52 HA THR 7 HA THR 7 7.151 2.994 -0.815
53 HB THR 7 HB THR 7 8.165 4.110 1.261
54 HG1 THR 7 HG1 THR 7 7.543 6.406 1.292
55 HG21 THR 7 HG21 THR 7 8.076 5.618 -1.365
56 HG22 THR 7 HG22 THR 7 9.172 4.287 -0.971
57 HG23 THR 7 HG23 THR 7 9.297 5.814 -0.110
58 H GLU 8 H GLU 8 4.807 4.367 1.462
59 HA GLU 8 HA GLU 8 4.842 2.300 3.404
60 HB2 GLU 8 HB2 GLU 8 2.674 4.244 2.605
61 HB3 GLU 8 HB1 GLU 8 2.582 3.203 4.014
62 HG2 GLU 8 HG2 GLU 8 4.699 5.288 3.548
63 HG3 GLU 8 HG1 GLU 8 3.261 5.510 4.547
64 H TYR 9 H TYR 9 3.054 2.855 0.517
65 HA TYR 9 HA TYR 9 1.159 0.794 0.687
66 HB2 TYR 9 HB2 TYR 9 0.565 2.559 -0.659
67 HB3 TYR 9 HB1 TYR 9 2.188 2.751 -1.275
68 HD1 TYR 9 HD1 TYR 9 -1.067 1.371 -1.858
69 HD2 TYR 9 HD2 TYR 9 2.966 1.266 -3.014
70 HE1 TYR 9 HE1 TYR 9 -1.739 0.426 -4.013
71 HE2 TYR 9 HE2 TYR 9 2.392 0.278 -5.169
72 HH TYR 9 HH TYR 9 -0.745 0.280 -6.381
73 H GLU 10 H GLU 10 4.277 1.074 -1.016
74 HA GLU 10 HA GLU 10 4.137 -1.523 -2.144
75 HB2 GLU 10 HB2 GLU 10 6.566 0.254 -1.761
76 HB3 GLU 10 HB1 GLU 10 6.475 -1.182 -2.784
77 HG2 GLU 10 HG2 GLU 10 4.803 -0.084 -4.177
78 HG3 GLU 10 HG1 GLU 10 4.903 1.337 -3.137
79 H ALA 11 H ALA 11 5.575 -0.188 0.775
80 HA ALA 11 HA ALA 11 6.924 -2.478 1.644
81 HB1 ALA 11 HB1 ALA 11 5.573 -0.353 3.317
82 HB2 ALA 11 HB2 ALA 11 7.223 -0.282 2.702
83 HB3 ALA 11 HB3 ALA 11 6.780 -1.502 3.894
84 H CYS 12 H CYS 12 3.618 -1.410 2.022
85 HA CYS 12 HA CYS 12 2.586 -3.394 3.677
86 HB2 CYS 12 HB2 CYS 12 1.278 -1.447 3.149
87 HB3 CYS 12 HB1 CYS 12 1.313 -1.823 1.434
88 H ARG 13 H ARG 13 3.060 -3.390 0.177
89 HA ARG 13 HA ARG 13 1.686 -5.802 -0.349
90 HB2 ARG 13 HB2 ARG 13 3.939 -4.585 -1.946
91 HB3 ARG 13 HB1 ARG 13 2.798 -5.793 -2.514
92 HG2 ARG 13 HG2 ARG 13 0.977 -4.136 -2.199
93 HG3 ARG 13 HG1 ARG 13 2.200 -2.938 -1.781
94 HD2 ARG 13 HD2 ARG 13 1.922 -4.402 -4.402
95 HD3 ARG 13 HD1 ARG 13 1.579 -2.703 -4.106
96 HE ARG 13 HE ARG 13 4.287 -3.526 -3.534
97 HH11 ARG 13 HH11 ARG 13 2.109 -2.241 -6.012
98 HH12 ARG 13 HH12 ARG 13 3.331 -1.588 -6.974
99 HH21 ARG 13 HH21 ARG 13 5.985 -2.688 -4.859
100 HH22 ARG 13 HH22 ARG 13 5.639 -1.838 -6.286
101 H VAL 14 H VAL 14 5.169 -5.107 -0.072
102 HA VAL 14 HA VAL 14 5.939 -7.805 -0.300
103 HB VAL 14 HB VAL 14 7.436 -5.896 -0.733
104 HG11 VAL 14 HG11 VAL 14 6.954 -4.437 1.062
105 HG12 VAL 14 HG12 VAL 14 8.683 -4.798 1.057
106 HG13 VAL 14 3HG1 VAL 14 7.617 -5.575 2.231
107 HG21 VAL 14 HG21 VAL 14 8.420 -8.085 -0.514
108 HG22 VAL 14 HG22 VAL 14 8.521 -7.897 1.236
109 HG23 VAL 14 HG23 VAL 14 9.510 -6.885 0.183
110 H ARG 15 H ARG 15 5.224 -5.812 2.403
111 HA ARG 15 HA ARG 15 5.890 -7.383 4.608
112 HB2 ARG 15 HB2 ARG 15 4.911 -5.131 4.792
113 HB3 ARG 15 HB1 ARG 15 3.371 -5.760 4.231
114 HG2 ARG 15 HG2 ARG 15 3.446 -7.302 6.257
115 HG3 ARG 15 HG1 ARG 15 4.753 -6.268 6.841
116 HD2 ARG 15 HD2 ARG 15 2.668 -5.507 7.773
117 HD3 ARG 15 HD1 ARG 15 3.256 -4.319 6.610
118 HE ARG 15 HE ARG 15 1.482 -6.185 5.394
119 HH11 ARG 15 HH11 ARG 15 1.570 -3.222 7.309
120 HH12 ARG 15 HH12 ARG 15 -0.009 -2.750 6.934
121 HH21 ARG 15 HH21 ARG 15 -0.706 -5.555 4.842
122 HH22 ARG 15 HH22 ARG 15 -1.349 -4.114 5.470
123 H CYS 16 H CYS 16 2.846 -7.367 2.789
124 HA CYS 16 HA CYS 16 1.782 -9.507 4.260
125 HB2 CYS 16 HB2 CYS 16 0.904 -8.255 1.671
126 HB3 CYS 16 HB1 CYS 16 -0.002 -9.525 2.497
127 H GLN 17 H GLN 17 3.779 -9.429 1.437
128 HA GLN 17 HA GLN 17 3.272 -12.058 0.532
129 HB2 GLN 17 HB2 GLN 17 5.825 -10.446 0.372
130 HB3 GLN 17 HB1 GLN 17 5.487 -11.898 -0.558
131 HG2 GLN 17 HG2 GLN 17 3.660 -10.759 -1.690
132 HG3 GLN 17 HG1 GLN 17 3.957 -9.315 -0.729
133 HE21 GLN 17 1HE2 GLN 17 6.901 -9.647 -0.921
134 HE22 GLN 17 2HE2 GLN 17 7.299 -9.195 -2.527
135 H VAL 18 H VAL 18 5.388 -10.709 2.965
136 HA VAL 18 HA VAL 18 6.619 -13.267 3.534
137 HB VAL 18 HB VAL 18 6.959 -10.614 4.942
138 HG11 VAL 18 HG11 VAL 18 9.024 -11.575 5.840
139 HG12 VAL 18 HG12 VAL 18 8.656 -13.108 5.055
140 HG13 VAL 18 3HG1 VAL 18 7.612 -12.506 6.342
141 HG21 VAL 18 HG21 VAL 18 9.039 -10.429 3.674
142 HG22 VAL 18 HG22 VAL 18 7.629 -10.465 2.616
143 HG23 VAL 18 HG23 VAL 18 8.635 -11.903 2.795
144 H ALA 19 H ALA 19 4.737 -10.877 5.377
145 HA ALA 19 HA ALA 19 4.547 -12.576 7.654
146 HB1 ALA 19 HB1 ALA 19 3.086 -10.008 7.091
147 HB2 ALA 19 HB2 ALA 19 4.673 -10.145 7.848
148 HB3 ALA 19 HB3 ALA 19 3.251 -10.802 8.656
149 H GLU 20 H GLU 20 2.148 -11.519 5.224
150 HA GLU 20 HA GLU 20 0.057 -12.971 6.559
151 HB2 GLU 20 HB2 GLU 20 0.159 -11.657 3.841
152 HB3 GLU 20 HB1 GLU 20 -1.266 -12.423 4.526
153 HG2 GLU 20 HG2 GLU 20 0.152 -10.135 5.854
154 HG3 GLU 20 HG1 GLU 20 -1.152 -9.913 4.690
155 H HIS 21 H HIS 21 1.887 -13.321 3.579
156 HA HIS 21 HA HIS 21 2.433 -15.021 2.234
157 HB2 HIS 21 HB2 HIS 21 3.375 -16.025 4.312
158 HB3 HIS 21 HB1 HIS 21 1.837 -16.820 4.612
159 HD1 HIS 21 HD1 HIS 21 1.567 -19.136 3.573
160 HD2 HIS 21 HD2 HIS 21 4.722 -16.988 1.926
161 HE1 HIS 21 HE1 HIS 21 2.803 -20.742 2.083
162 H GLY 22 H GLY 22 1.053 -15.084 0.621
163 HA2 GLY 22 HA2 GLY 22 -0.629 -17.011 -0.038
164 HA3 GLY 22 HA1 GLY 22 -1.650 -16.037 1.016
165 H VAL 23 H VAL 23 -2.033 -16.493 -1.766
166 HA VAL 23 HA VAL 23 -1.098 -14.234 -3.254
167 HB VAL 23 HB VAL 23 -3.376 -16.118 -3.943
168 HG11 VAL 23 HG11 VAL 23 -2.955 -15.436 -6.265
169 HG12 VAL 23 HG12 VAL 23 -1.739 -14.291 -5.700
170 HG13 VAL 23 3HG1 VAL 23 -3.431 -14.068 -5.255
171 HG21 VAL 23 HG21 VAL 23 -1.299 -17.356 -3.588
172 HG22 VAL 23 HG22 VAL 23 -0.456 -16.280 -4.703
173 HG23 VAL 23 HG23 VAL 23 -1.732 -17.341 -5.298
174 H GLU 24 H GLU 24 -4.305 -15.168 -2.003
175 HA GLU 24 HA GLU 24 -5.552 -12.745 -2.772
176 HB2 GLU 24 HB2 GLU 24 -6.446 -14.736 -0.666
177 HB3 GLU 24 HB1 GLU 24 -7.428 -13.464 -1.372
178 HG2 GLU 24 HG2 GLU 24 -7.242 -14.554 -3.557
179 HG3 GLU 24 HG1 GLU 24 -6.305 -15.849 -2.812
180 H ARG 25 H ARG 25 -3.861 -13.826 0.021
181 HA ARG 25 HA ARG 25 -4.444 -11.812 1.879
182 HB2 ARG 25 HB2 ARG 25 -1.907 -13.360 1.385
183 HB3 ARG 25 HB1 ARG 25 -2.057 -12.195 2.686
184 HG2 ARG 25 HG2 ARG 25 -3.808 -14.628 2.358
185 HG3 ARG 25 HG1 ARG 25 -2.381 -14.549 3.389
186 HD2 ARG 25 HD2 ARG 25 -3.418 -12.696 4.640
187 HD3 ARG 25 HD1 ARG 25 -4.856 -12.842 3.638
188 HE ARG 25 HE ARG 25 -4.898 -15.214 4.523
189 HH11 ARG 25 HH11 ARG 25 -3.731 -12.412 6.446
190 HH12 ARG 25 HH12 ARG 25 -4.098 -13.140 7.923
191 HH21 ARG 25 HH21 ARG 25 -5.452 -16.137 6.617
192 HH22 ARG 25 HH22 ARG 25 -5.098 -15.264 8.032
193 H GLN 26 H GLN 26 -1.898 -11.931 -0.571
194 HA GLN 26 HA GLN 26 -0.877 -9.348 -0.056
195 HB2 GLN 26 HB2 GLN 26 0.429 -11.025 -1.225
196 HB3 GLN 26 HB1 GLN 26 -0.721 -11.029 -2.557
197 HG2 GLN 26 HG2 GLN 26 -0.178 -8.628 -2.936
198 HG3 GLN 26 HG1 GLN 26 1.081 -8.772 -1.715
199 HE21 GLN 26 1HE2 GLN 26 1.757 -11.500 -2.551
200 HE22 GLN 26 2HE2 GLN 26 2.628 -11.309 -4.023
201 H ARG 27 H ARG 27 -3.185 -10.596 -2.405
202 HA ARG 27 HA ARG 27 -3.567 -8.178 -3.792
203 HB2 ARG 27 HB2 ARG 27 -5.444 -10.525 -3.514
204 HB3 ARG 27 HB1 ARG 27 -5.648 -9.213 -4.667
205 HG2 ARG 27 HG2 ARG 27 -3.312 -11.119 -4.580
206 HG3 ARG 27 HG1 ARG 27 -4.667 -11.202 -5.706
207 HD2 ARG 27 HD2 ARG 27 -4.059 -9.058 -6.649
208 HD3 ARG 27 HD1 ARG 27 -2.764 -8.868 -5.473
209 HE ARG 27 HE ARG 27 -1.920 -11.031 -6.537
210 HH11 ARG 27 HH11 ARG 27 -3.507 -8.388 -8.306
211 HH12 ARG 27 HH12 ARG 27 -2.644 -8.632 -9.742
212 HH21 ARG 27 HH21 ARG 27 -0.756 -11.402 -8.552
213 HH22 ARG 27 HH22 ARG 27 -1.074 -10.398 -9.888
214 H ARG 28 H ARG 28 -5.206 -9.481 -0.964
215 HA ARG 28 HA ARG 28 -7.074 -7.373 -0.877
216 HB2 ARG 28 HB2 ARG 28 -7.521 -9.480 0.250
217 HB3 ARG 28 HB1 ARG 28 -6.145 -9.228 1.311
218 HG2 ARG 28 HG2 ARG 28 -7.210 -7.449 2.434
219 HG3 ARG 28 HG1 ARG 28 -8.477 -7.345 1.211
220 HD2 ARG 28 HD2 ARG 28 -8.007 -9.726 2.988
221 HD3 ARG 28 HD1 ARG 28 -9.197 -8.462 3.298
222 HE ARG 28 HE ARG 28 -9.538 -9.491 0.712
223 HH11 ARG 28 HH11 ARG 28 -10.096 -10.407 4.099
224 HH12 ARG 28 HH12 ARG 28 -11.396 -11.446 3.734
225 HH21 ARG 28 HH21 ARG 28 -11.346 -10.908 0.225
226 HH22 ARG 28 HH22 ARG 28 -12.112 -11.737 1.476
227 H CYS 29 H CYS 29 -3.866 -7.823 0.636
228 HA CYS 29 HA CYS 29 -3.866 -5.436 2.080
229 HB2 CYS 29 HB2 CYS 29 -1.620 -6.984 0.800
230 HB3 CYS 29 HB1 CYS 29 -1.370 -5.581 1.828
231 H GLN 30 H GLN 30 -3.043 -6.160 -1.275
232 HA GLN 30 HA GLN 30 -2.148 -3.685 -2.117
233 HB2 GLN 30 HB2 GLN 30 -2.067 -5.587 -3.608
234 HB3 GLN 30 HB1 GLN 30 -3.816 -5.745 -3.573
235 HG2 GLN 30 HG2 GLN 30 -3.131 -4.774 -5.666
236 HG3 GLN 30 HG1 GLN 30 -4.019 -3.580 -4.726
237 HE21 GLN 30 1HE2 GLN 30 -3.108 -1.817 -5.811
238 HE22 GLN 30 2HE2 GLN 30 -1.441 -1.423 -5.618
239 H GLN 31 H GLN 31 -5.460 -4.942 -2.115
240 HA GLN 31 HA GLN 31 -6.762 -2.680 -3.074
241 HB2 GLN 31 HB2 GLN 31 -7.807 -4.677 -1.073
242 HB3 GLN 31 HB1 GLN 31 -8.780 -3.568 -2.027
243 HG2 GLN 31 HG2 GLN 31 -8.081 -4.667 -4.064
244 HG3 GLN 31 HG1 GLN 31 -7.034 -5.743 -3.145
245 HE21 GLN 31 1HE2 GLN 31 -10.219 -4.746 -2.096
246 HE22 GLN 31 2HE2 GLN 31 -10.955 -6.294 -2.272
247 H VAL 32 H VAL 32 -6.183 -3.604 0.295
248 HA VAL 32 HA VAL 32 -7.471 -1.365 1.442
249 HB VAL 32 HB VAL 32 -5.280 -3.056 2.679
250 HG11 VAL 32 HG11 VAL 32 -7.382 -1.313 3.958
251 HG12 VAL 32 HG12 VAL 32 -5.646 -0.997 3.909
252 HG13 VAL 32 3HG1 VAL 32 -6.271 -2.376 4.818
253 HG21 VAL 32 HG21 VAL 32 -7.098 -4.354 3.690
254 HG22 VAL 32 HG22 VAL 32 -7.135 -4.444 1.927
255 HG23 VAL 32 HG23 VAL 32 -8.270 -3.400 2.783
256 H CYS 33 H CYS 33 -4.023 -2.007 0.827
257 HA CYS 33 HA CYS 33 -3.311 0.526 1.876
258 HB2 CYS 33 HB2 CYS 33 -1.666 -1.556 0.439
259 HB3 CYS 33 HB1 CYS 33 -0.999 -0.078 1.141
260 H GLU 34 H GLU 34 -4.099 -0.602 -1.325
261 HA GLU 34 HA GLU 34 -3.015 1.641 -2.705
262 HB2 GLU 34 HB2 GLU 34 -3.722 -0.552 -3.746
263 HB3 GLU 34 HB1 GLU 34 -5.382 -0.045 -3.496
264 HG2 GLU 34 HG2 GLU 34 -4.871 1.975 -4.875
265 HG3 GLU 34 HG1 GLU 34 -3.333 1.216 -5.282
266 H LYS 35 H LYS 35 -6.129 0.815 -1.294
267 HA LYS 35 HA LYS 35 -7.496 3.141 -2.061
268 HB2 LYS 35 HB2 LYS 35 -8.616 1.124 -1.155
269 HB3 LYS 35 HB1 LYS 35 -7.898 1.451 0.414
270 HG2 LYS 35 HG2 LYS 35 -9.194 3.474 0.640
271 HG3 LYS 35 HG1 LYS 35 -9.822 3.294 -0.998
272 HD2 LYS 35 HD2 LYS 35 -11.491 2.557 0.611
273 HD3 LYS 35 HD1 LYS 35 -10.906 1.191 -0.328
274 HE2 LYS 35 HE2 LYS 35 -9.407 0.578 1.532
275 HE3 LYS 35 HE1 LYS 35 -10.051 1.929 2.462
276 HZ1 LYS 35 HZ1 LYS 35 -11.120 -0.134 3.072
277 HZ2 LYS 35 HZ2 LYS 35 -11.593 -0.403 1.477
278 HZ3 LYS 35 HZ3 LYS 35 -12.240 0.896 2.344
279 H ARG 36 H ARG 36 -5.571 2.364 0.778
280 HA ARG 36 HA ARG 36 -5.835 4.913 1.946
281 HB2 ARG 36 HB2 ARG 36 -3.817 2.727 2.402
282 HB3 ARG 36 HB1 ARG 36 -3.764 4.239 3.294
283 HG2 ARG 36 HG2 ARG 36 -6.128 3.786 4.013
284 HG3 ARG 36 HG1 ARG 36 -5.963 2.187 3.291
285 HD2 ARG 36 HD2 ARG 36 -4.166 3.288 5.442
286 HD3 ARG 36 HD1 ARG 36 -5.556 2.260 5.750
287 HE ARG 36 HE ARG 36 -4.138 0.808 4.017
288 HH11 ARG 36 HH11 ARG 36 -3.193 2.473 7.010
289 HH12 ARG 36 HH12 ARG 36 -2.037 1.321 7.485
290 HH21 ARG 36 HH21 ARG 36 -2.497 -0.849 4.707
291 HH22 ARG 36 HH22 ARG 36 -1.638 -0.568 6.134
292 H LEU 37 H LEU 37 -3.484 3.621 -0.342
293 HA LEU 37 HA LEU 37 -1.798 5.863 -0.423
294 HB2 LEU 37 HB2 LEU 37 -1.113 3.800 -1.498
295 HB3 LEU 37 HB1 LEU 37 -2.508 3.831 -2.555
296 HG LEU 37 HG LEU 37 -1.636 5.771 -3.695
297 HD11 LEU 37 HD11 LEU 37 0.785 5.447 -1.907
298 HD12 LEU 37 HD12 LEU 37 -0.335 6.809 -1.921
299 HD13 LEU 37 HD13 LEU 37 0.709 6.512 -3.311
300 HD21 LEU 37 HD21 LEU 37 0.330 3.503 -3.569
301 HD22 LEU 37 HD22 LEU 37 0.259 4.718 -4.846
302 HD23 LEU 37 HD23 LEU 37 -1.096 3.616 -4.601
303 H ARG 38 H ARG 38 -4.773 5.084 -2.087
304 HA ARG 38 HA ARG 38 -4.805 7.291 -3.806
305 HB2 ARG 38 HB2 ARG 38 -6.136 5.210 -4.081
306 HB3 ARG 38 HB1 ARG 38 -7.171 5.732 -2.766
307 HG2 ARG 38 HG2 ARG 38 -8.214 6.180 -4.914
308 HG3 ARG 38 HG1 ARG 38 -7.836 7.685 -4.073
309 HD2 ARG 38 HD2 ARG 38 -7.287 7.752 -6.484
310 HD3 ARG 38 HD1 ARG 38 -5.890 8.036 -5.455
311 HE ARG 38 HE ARG 38 -6.170 5.289 -6.181
312 HH11 ARG 38 HH11 ARG 38 -5.097 8.389 -7.515
313 HH12 ARG 38 HH12 ARG 38 -3.865 7.686 -8.468
314 HH21 ARG 38 HH21 ARG 38 -4.488 4.359 -7.518
315 HH22 ARG 38 HH22 ARG 38 -3.507 5.384 -8.467
316 H GLU 39 H GLU 39 -5.791 6.935 -0.475
317 HA GLU 39 HA GLU 39 -7.205 9.394 -0.225
318 HB2 GLU 39 HB2 GLU 39 -5.548 7.969 1.863
319 HB3 GLU 39 HB1 GLU 39 -6.743 9.214 2.175
320 HG2 GLU 39 HG2 GLU 39 -8.494 7.719 1.347
321 HG3 GLU 39 HG1 GLU 39 -7.276 6.467 1.075
322 H ARG 40 H ARG 40 -3.868 8.419 0.143
323 HA ARG 40 HA ARG 40 -2.823 10.944 0.928
324 HB2 ARG 40 HB2 ARG 40 -1.366 8.702 -0.490
325 HB3 ARG 40 HB1 ARG 40 -0.640 10.024 0.406
326 HG2 ARG 40 HG2 ARG 40 -2.312 7.803 1.564
327 HG3 ARG 40 HG1 ARG 40 -0.561 7.972 1.680
328 HD2 ARG 40 HD2 ARG 40 -0.898 10.104 2.883
329 HD3 ARG 40 HD1 ARG 40 -2.641 9.816 2.847
330 HE ARG 40 HE ARG 40 -0.939 7.783 4.018
331 HH11 ARG 40 HH11 ARG 40 -3.300 10.368 4.531
332 HH12 ARG 40 HH12 ARG 40 -3.529 10.059 6.178
333 HH21 ARG 40 HH21 ARG 40 -1.241 7.331 6.313
334 HH22 ARG 40 HH22 ARG 40 -2.334 8.272 7.223
335 H GLU 41 H GLU 41 -3.195 9.301 -2.150
336 HA GLU 41 HA GLU 41 -2.088 11.128 -3.933
337 HB2 GLU 41 HB2 GLU 41 -4.564 9.420 -4.215
338 HB3 GLU 41 HB1 GLU 41 -3.828 10.304 -5.536
339 HG2 GLU 41 HG2 GLU 41 -2.454 8.150 -3.959
340 HG3 GLU 41 HG1 GLU 41 -3.261 7.910 -5.510
341 H GLY 42 H GLY 42 -5.368 10.966 -2.623
342 HA2 GLY 42 HA2 GLY 42 -6.360 13.266 -3.914
343 HA3 GLY 42 HA1 GLY 42 -7.069 12.468 -2.521
344 H ARG 43 H ARG 43 -4.417 12.900 -1.082
345 HA ARG 43 HA ARG 43 -5.213 15.286 0.189
346 HB2 ARG 43 HB2 ARG 43 -4.022 13.462 1.377
347 HB3 ARG 43 HB1 ARG 43 -2.565 13.855 0.480
348 HG2 ARG 43 HG2 ARG 43 -2.521 14.802 2.750
349 HG3 ARG 43 HG1 ARG 43 -2.492 16.054 1.504
350 HD2 ARG 43 HD2 ARG 43 -4.841 16.470 1.785
351 HD3 ARG 43 HD1 ARG 43 -4.980 15.135 2.926
352 HE ARG 43 HE ARG 43 -3.102 17.024 3.819
353 HH11 ARG 43 HH11 ARG 43 -6.566 16.602 3.361
354 HH12 ARG 43 HH12 ARG 43 -7.047 17.619 4.638
355 HH21 ARG 43 HH21 ARG 43 -3.750 18.502 5.616
356 HH22 ARG 43 HH22 ARG 43 -5.400 18.716 5.944
357 H ARG 44 H ARG 44 -3.030 14.670 -2.415
358 HA ARG 44 HA ARG 44 -1.922 17.364 -2.151
359 HB2 ARG 44 HB2 ARG 44 -0.305 16.764 -3.846
360 HB3 ARG 44 HB1 ARG 44 -0.374 15.473 -2.666
361 HG2 ARG 44 HG2 ARG 44 -1.900 14.264 -4.281
362 HG3 ARG 44 HG1 ARG 44 -1.455 15.496 -5.466
363 HD2 ARG 44 HD2 ARG 44 -0.017 13.582 -5.744
364 HD3 ARG 44 HD1 ARG 44 0.929 14.919 -5.084
365 HE ARG 44 HE ARG 44 0.730 13.891 -2.910
366 HH11 ARG 44 HH11 ARG 44 0.441 11.824 -5.737
367 HH12 ARG 44 HH12 ARG 44 0.360 10.372 -4.869
368 HH21 ARG 44 HH21 ARG 44 0.663 11.912 -1.684
369 HH22 ARG 44 HH22 ARG 44 0.529 10.428 -2.532
370 H GLU 45 H GLU 45 -4.654 16.900 -2.705
371 HA GLU 45 HA GLU 45 -5.473 17.290 -5.309
372 HB2 GLU 45 HB2 GLU 45 -7.511 18.299 -4.289
373 HB3 GLU 45 HB1 GLU 45 -7.051 16.763 -3.572
374 HG2 GLU 45 HG2 GLU 45 -6.019 17.977 -1.687
375 HG3 GLU 45 HG1 GLU 45 -6.553 19.494 -2.406
376 H VAL 46 H VAL 46 -5.689 19.061 -6.593
377 HA VAL 46 HA VAL 46 -4.263 21.372 -5.626
378 HB VAL 46 HB VAL 46 -4.238 22.165 -8.026
379 HG11 VAL 46 HG11 VAL 46 -2.978 19.498 -7.416
380 HG12 VAL 46 HG12 VAL 46 -2.312 21.086 -7.030
381 HG13 VAL 46 3HG1 VAL 46 -2.480 20.582 -8.714
382 HG21 VAL 46 HG21 VAL 46 -4.675 20.546 -9.800
383 HG22 VAL 46 HG22 VAL 46 -6.143 20.810 -8.853
384 HG23 VAL 46 HG23 VAL 46 -5.182 19.352 -8.608
385 H ASP 47 H ASP 47 -5.576 22.429 -4.426
386 HA ASP 47 HA ASP 47 -8.119 23.226 -5.525
387 HB2 ASP 47 HB2 ASP 47 -8.621 24.221 -3.285
388 HB3 ASP 47 HB1 ASP 47 -8.225 22.523 -3.171
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 13.798 9.656 8.510
2 H3 PRO 1 HT2 PRO 1 13.912 11.147 9.140
3 HA PRO 1 HA PRO 1 12.860 12.047 7.634
4 HB2 PRO 1 HB2 PRO 1 13.465 10.801 5.193
5 HB3 PRO 1 HB1 PRO 1 14.096 12.350 5.772
6 HG2 PRO 1 HG2 PRO 1 15.345 9.665 5.845
7 HG3 PRO 1 HG1 PRO 1 16.109 11.260 5.770
8 HD2 PRO 1 HD2 PRO 1 16.095 9.776 8.037
9 HD3 PRO 1 HD1 PRO 1 16.039 11.548 8.062
10 H ARG 2 H ARG 2 11.238 11.296 5.810
11 HA ARG 2 HA ARG 2 10.038 8.802 6.775
12 HB2 ARG 2 HB2 ARG 2 8.800 11.087 5.223
13 HB3 ARG 2 HB1 ARG 2 7.950 9.631 5.711
14 HG2 ARG 2 HG2 ARG 2 8.336 10.223 8.067
15 HG3 ARG 2 HG1 ARG 2 9.136 11.703 7.544
16 HD2 ARG 2 HD2 ARG 2 6.270 10.944 6.987
17 HD3 ARG 2 HD1 ARG 2 6.807 12.128 8.174
18 HE ARG 2 HE ARG 2 7.659 12.615 5.450
19 HH11 ARG 2 HH11 ARG 2 5.178 13.347 7.875
20 HH12 ARG 2 HH12 ARG 2 4.668 14.766 7.099
21 HH21 ARG 2 HH21 ARG 2 6.958 14.470 4.409
22 HH22 ARG 2 HH22 ARG 2 5.725 15.462 5.042
23 H GLY 3 H GLY 3 8.677 7.795 4.889
24 HA2 GLY 3 HA2 GLY 3 10.606 7.323 2.759
25 HA3 GLY 3 HA1 GLY 3 9.244 6.291 3.177
26 H SER 4 H SER 4 9.873 7.158 0.575
27 HA SER 4 HA SER 4 8.199 9.283 -0.209
28 HB2 SER 4 HB2 SER 4 9.144 6.928 -1.865
29 HB3 SER 4 HB1 SER 4 8.724 8.551 -2.423
30 HG SER 4 HG SER 4 11.005 7.965 -2.153
31 HA PRO 5 HA PRO 5 4.189 7.391 0.131
32 HB2 PRO 5 HB2 PRO 5 3.089 8.313 -2.272
33 HB3 PRO 5 HB1 PRO 5 3.046 9.146 -0.720
34 HG2 PRO 5 HG2 PRO 5 4.883 9.526 -3.028
35 HG3 PRO 5 HG1 PRO 5 4.231 10.731 -1.905
36 HD2 PRO 5 HD2 PRO 5 6.762 9.886 -1.739
37 HD3 PRO 5 HD1 PRO 5 5.812 10.242 -0.281
38 H ARG 6 H ARG 6 5.724 7.065 -3.072
39 HA ARG 6 HA ARG 6 4.084 4.900 -3.894
40 HB2 ARG 6 HB2 ARG 6 5.730 6.473 -5.239
41 HB3 ARG 6 HB1 ARG 6 6.883 5.183 -4.914
42 HG2 ARG 6 HG2 ARG 6 5.917 4.869 -7.087
43 HG3 ARG 6 HG1 ARG 6 5.298 3.605 -6.016
44 HD2 ARG 6 HD2 ARG 6 3.541 4.658 -7.454
45 HD3 ARG 6 HD1 ARG 6 3.216 4.782 -5.726
46 HE ARG 6 HE ARG 6 4.505 7.007 -7.147
47 HH11 ARG 6 HH11 ARG 6 1.580 5.835 -5.487
48 HH12 ARG 6 HH12 ARG 6 1.084 7.428 -5.062
49 HH21 ARG 6 HH21 ARG 6 3.735 9.115 -6.560
50 HH22 ARG 6 HH22 ARG 6 2.308 9.267 -5.616
51 H THR 7 H THR 7 7.211 5.097 -2.264
52 HA THR 7 HA THR 7 7.585 2.290 -2.257
53 HB THR 7 HB THR 7 9.408 2.823 -0.547
54 HG1 THR 7 HG1 THR 7 8.205 5.047 -0.216
55 HG21 THR 7 HG21 THR 7 10.876 3.840 -2.227
56 HG22 THR 7 HG22 THR 7 9.462 4.232 -3.209
57 HG23 THR 7 HG23 THR 7 9.888 2.546 -2.903
58 H GLU 8 H GLU 8 6.037 4.553 -0.117
59 HA GLU 8 HA GLU 8 5.772 3.012 2.217
60 HB2 GLU 8 HB2 GLU 8 5.196 5.443 1.941
61 HB3 GLU 8 HB1 GLU 8 3.814 4.948 0.976
62 HG2 GLU 8 HG2 GLU 8 3.150 5.550 3.240
63 HG3 GLU 8 HG1 GLU 8 2.833 3.849 2.901
64 H TYR 9 H TYR 9 3.821 3.303 -0.702
65 HA TYR 9 HA TYR 9 1.812 1.508 -0.058
66 HB2 TYR 9 HB2 TYR 9 1.305 3.004 -1.721
67 HB3 TYR 9 HB1 TYR 9 2.883 2.878 -2.473
68 HD1 TYR 9 HD1 TYR 9 3.264 1.469 -4.157
69 HD2 TYR 9 HD2 TYR 9 -0.354 1.179 -2.056
70 HE1 TYR 9 HE1 TYR 9 2.420 -0.095 -5.902
71 HE2 TYR 9 HE2 TYR 9 -1.257 -0.382 -3.755
72 HH TYR 9 HH TYR 9 -0.811 -0.896 -6.171
73 H GLU 10 H GLU 10 4.836 1.147 -1.893
74 HA GLU 10 HA GLU 10 4.506 -1.544 -2.581
75 HB2 GLU 10 HB2 GLU 10 6.184 -0.170 -3.682
76 HB3 GLU 10 HB1 GLU 10 7.062 0.017 -2.168
77 HG2 GLU 10 HG2 GLU 10 7.520 -2.371 -2.124
78 HG3 GLU 10 HG1 GLU 10 6.619 -2.574 -3.621
79 H ALA 11 H ALA 11 6.168 -0.079 0.175
80 HA ALA 11 HA ALA 11 7.159 -2.368 1.379
81 HB1 ALA 11 HB1 ALA 11 7.793 -0.123 2.051
82 HB2 ALA 11 HB2 ALA 11 7.223 -1.046 3.443
83 HB3 ALA 11 HB3 ALA 11 6.178 0.160 2.690
84 H CYS 12 H CYS 12 4.009 -0.854 1.694
85 HA CYS 12 HA CYS 12 2.980 -2.463 3.748
86 HB2 CYS 12 HB2 CYS 12 2.011 -0.305 2.874
87 HB3 CYS 12 HB1 CYS 12 1.447 -1.195 1.471
88 H ARG 13 H ARG 13 3.069 -2.869 0.252
89 HA ARG 13 HA ARG 13 1.477 -5.218 0.090
90 HB2 ARG 13 HB2 ARG 13 3.613 -4.137 -1.768
91 HB3 ARG 13 HB1 ARG 13 2.602 -5.520 -2.142
92 HG2 ARG 13 HG2 ARG 13 0.628 -4.117 -2.130
93 HG3 ARG 13 HG1 ARG 13 1.591 -2.727 -1.631
94 HD2 ARG 13 HD2 ARG 13 1.109 -2.675 -4.041
95 HD3 ARG 13 HD1 ARG 13 2.834 -2.808 -3.725
96 HE ARG 13 HE ARG 13 2.097 -5.371 -4.045
97 HH11 ARG 13 HH11 ARG 13 1.261 -2.559 -6.104
98 HH12 ARG 13 HH12 ARG 13 1.463 -3.409 -7.543
99 HH21 ARG 13 HH21 ARG 13 2.278 -6.530 -6.100
100 HH22 ARG 13 HH22 ARG 13 2.022 -5.690 -7.557
101 H VAL 14 H VAL 14 4.960 -4.635 0.119
102 HA VAL 14 HA VAL 14 5.821 -7.288 0.008
103 HB VAL 14 HB VAL 14 7.235 -4.920 1.285
104 HG11 VAL 14 HG11 VAL 14 9.301 -6.160 0.928
105 HG12 VAL 14 HG12 VAL 14 8.389 -7.516 0.268
106 HG13 VAL 14 3HG1 VAL 14 8.207 -7.081 1.966
107 HG21 VAL 14 HG21 VAL 14 8.397 -4.728 -0.863
108 HG22 VAL 14 HG22 VAL 14 6.656 -4.515 -1.046
109 HG23 VAL 14 HG23 VAL 14 7.411 -6.039 -1.510
110 H ARG 15 H ARG 15 5.031 -5.248 2.755
111 HA ARG 15 HA ARG 15 5.769 -6.820 4.892
112 HB2 ARG 15 HB2 ARG 15 4.856 -4.536 5.054
113 HB3 ARG 15 HB1 ARG 15 3.273 -5.129 4.590
114 HG2 ARG 15 HG2 ARG 15 3.297 -4.756 6.952
115 HG3 ARG 15 HG1 ARG 15 3.233 -6.491 6.652
116 HD2 ARG 15 HD2 ARG 15 4.767 -5.996 8.460
117 HD3 ARG 15 HD1 ARG 15 5.654 -6.641 7.080
118 HE ARG 15 HE ARG 15 5.798 -3.961 6.745
119 HH11 ARG 15 HH11 ARG 15 6.621 -6.095 9.450
120 HH12 ARG 15 HH12 ARG 15 7.849 -5.098 10.073
121 HH21 ARG 15 HH21 ARG 15 7.511 -2.581 7.592
122 HH22 ARG 15 HH22 ARG 15 8.390 -3.070 8.966
123 H CYS 16 H CYS 16 2.590 -6.838 3.233
124 HA CYS 16 HA CYS 16 1.759 -9.168 4.633
125 HB2 CYS 16 HB2 CYS 16 0.587 -7.781 2.245
126 HB3 CYS 16 HB1 CYS 16 -0.108 -9.252 2.915
127 H GLN 17 H GLN 17 3.401 -8.741 1.586
128 HA GLN 17 HA GLN 17 3.020 -11.312 0.519
129 HB2 GLN 17 HB2 GLN 17 5.348 -9.430 0.285
130 HB3 GLN 17 HB1 GLN 17 5.229 -10.928 -0.616
131 HG2 GLN 17 HG2 GLN 17 3.256 -10.124 -1.751
132 HG3 GLN 17 HG1 GLN 17 3.272 -8.651 -0.778
133 HE21 GLN 17 1HE2 GLN 17 3.468 -7.381 -2.601
134 HE22 GLN 17 2HE2 GLN 17 4.952 -7.241 -3.475
135 H VAL 18 H VAL 18 5.144 -10.138 2.987
136 HA VAL 18 HA VAL 18 6.568 -12.648 3.159
137 HB VAL 18 HB VAL 18 6.783 -10.132 4.848
138 HG11 VAL 18 HG11 VAL 18 8.849 -11.106 5.736
139 HG12 VAL 18 HG12 VAL 18 8.539 -12.586 4.831
140 HG13 VAL 18 3HG1 VAL 18 7.450 -12.105 6.133
141 HG21 VAL 18 HG21 VAL 18 8.581 -11.227 2.686
142 HG22 VAL 18 HG22 VAL 18 8.911 -9.801 3.669
143 HG23 VAL 18 HG23 VAL 18 7.541 -9.809 2.557
144 H ALA 19 H ALA 19 4.481 -10.693 5.287
145 HA ALA 19 HA ALA 19 4.437 -12.606 7.358
146 HB1 ALA 19 HB1 ALA 19 2.760 -11.212 8.394
147 HB2 ALA 19 HB2 ALA 19 2.507 -10.353 6.875
148 HB3 ALA 19 HB3 ALA 19 4.049 -10.216 7.718
149 H GLU 20 H GLU 20 1.820 -11.695 5.115
150 HA GLU 20 HA GLU 20 0.081 -13.732 6.101
151 HB2 GLU 20 HB2 GLU 20 -0.109 -12.080 3.576
152 HB3 GLU 20 HB1 GLU 20 -1.399 -13.051 4.262
153 HG2 GLU 20 HG2 GLU 20 -0.134 -10.631 5.541
154 HG3 GLU 20 HG1 GLU 20 -1.701 -10.677 4.740
155 H HIS 21 H HIS 21 1.860 -13.241 3.121
156 HA HIS 21 HA HIS 21 2.522 -14.547 1.432
157 HB2 HIS 21 HB2 HIS 21 3.997 -15.451 3.225
158 HB3 HIS 21 HB1 HIS 21 2.796 -16.687 3.568
159 HD1 HIS 21 HD1 HIS 21 3.127 -18.869 2.314
160 HD2 HIS 21 HD2 HIS 21 5.088 -15.677 0.521
161 HE1 HIS 21 HE1 HIS 21 4.433 -19.845 0.395
162 H GLY 22 H GLY 22 0.602 -14.510 0.313
163 HA2 GLY 22 HA2 GLY 22 -0.380 -16.862 -0.611
164 HA3 GLY 22 HA1 GLY 22 -1.463 -16.412 0.702
165 H VAL 23 H VAL 23 -1.849 -16.547 -2.191
166 HA VAL 23 HA VAL 23 -1.772 -14.077 -3.468
167 HB VAL 23 HB VAL 23 -3.700 -16.355 -3.981
168 HG11 VAL 23 HG11 VAL 23 -3.801 -15.479 -6.277
169 HG12 VAL 23 HG12 VAL 23 -2.803 -14.111 -5.780
170 HG13 VAL 23 3HG1 VAL 23 -4.412 -14.321 -5.095
171 HG21 VAL 23 HG21 VAL 23 -2.063 -17.080 -5.664
172 HG22 VAL 23 HG22 VAL 23 -1.388 -17.110 -4.035
173 HG23 VAL 23 HG23 VAL 23 -0.971 -15.801 -5.139
174 H GLU 24 H GLU 24 -4.439 -15.558 -1.665
175 HA GLU 24 HA GLU 24 -6.439 -13.675 -2.243
176 HB2 GLU 24 HB2 GLU 24 -6.527 -16.015 -1.043
177 HB3 GLU 24 HB1 GLU 24 -6.253 -15.081 0.412
178 HG2 GLU 24 HG2 GLU 24 -8.609 -14.850 -1.458
179 HG3 GLU 24 HG1 GLU 24 -8.600 -15.604 0.126
180 H ARG 25 H ARG 25 -4.331 -13.968 0.595
181 HA ARG 25 HA ARG 25 -5.221 -11.550 1.767
182 HB2 ARG 25 HB2 ARG 25 -2.840 -13.267 2.393
183 HB3 ARG 25 HB1 ARG 25 -3.302 -11.857 3.332
184 HG2 ARG 25 HG2 ARG 25 -5.445 -12.896 3.839
185 HG3 ARG 25 HG1 ARG 25 -4.976 -14.330 2.922
186 HD2 ARG 25 HD2 ARG 25 -3.063 -14.628 4.421
187 HD3 ARG 25 HD1 ARG 25 -3.569 -13.209 5.327
188 HE ARG 25 HE ARG 25 -5.454 -15.393 5.078
189 HH11 ARG 25 HH11 ARG 25 -3.334 -13.449 7.118
190 HH12 ARG 25 HH12 ARG 25 -3.636 -14.309 8.549
191 HH21 ARG 25 HH21 ARG 25 -5.922 -16.603 7.084
192 HH22 ARG 25 HH22 ARG 25 -5.129 -16.145 8.531
193 H GLN 26 H GLN 26 -2.587 -12.322 -0.365
194 HA GLN 26 HA GLN 26 -1.131 -9.928 -0.048
195 HB2 GLN 26 HB2 GLN 26 -0.283 -11.959 -1.158
196 HB3 GLN 26 HB1 GLN 26 -1.409 -11.691 -2.472
197 HG2 GLN 26 HG2 GLN 26 -0.284 -9.602 -3.014
198 HG3 GLN 26 HG1 GLN 26 0.857 -9.880 -1.693
199 HE21 GLN 26 1HE2 GLN 26 -0.229 -10.941 -4.755
200 HE22 GLN 26 2HE2 GLN 26 1.137 -11.911 -5.174
201 H ARG 27 H ARG 27 -3.583 -10.942 -2.393
202 HA ARG 27 HA ARG 27 -3.874 -8.506 -3.758
203 HB2 ARG 27 HB2 ARG 27 -4.762 -10.604 -4.609
204 HB3 ARG 27 HB1 ARG 27 -5.845 -10.734 -3.237
205 HG2 ARG 27 HG2 ARG 27 -7.080 -8.795 -3.997
206 HG3 ARG 27 HG1 ARG 27 -5.964 -8.597 -5.351
207 HD2 ARG 27 HD2 ARG 27 -6.592 -10.775 -6.200
208 HD3 ARG 27 HD1 ARG 27 -7.705 -11.006 -4.848
209 HE ARG 27 HE ARG 27 -8.734 -8.864 -5.765
210 HH11 ARG 27 HH11 ARG 27 -7.357 -11.458 -7.750
211 HH12 ARG 27 HH12 ARG 27 -8.328 -11.157 -9.104
212 HH21 ARG 27 HH21 ARG 27 -10.112 -8.455 -7.583
213 HH22 ARG 27 HH22 ARG 27 -9.980 -9.378 -8.999
214 H ARG 28 H ARG 28 -5.362 -9.824 -0.911
215 HA ARG 28 HA ARG 28 -7.330 -7.946 -0.380
216 HB2 ARG 28 HB2 ARG 28 -7.057 -10.141 0.742
217 HB3 ARG 28 HB1 ARG 28 -5.636 -9.516 1.547
218 HG2 ARG 28 HG2 ARG 28 -6.991 -7.934 2.770
219 HG3 ARG 28 HG1 ARG 28 -8.434 -8.501 1.919
220 HD2 ARG 28 HD2 ARG 28 -8.113 -10.734 2.820
221 HD3 ARG 28 HD1 ARG 28 -6.647 -10.207 3.643
222 HE ARG 28 HE ARG 28 -8.630 -8.532 4.493
223 HH11 ARG 28 HH11 ARG 28 -8.085 -12.051 4.603
224 HH12 ARG 28 HH12 ARG 28 -8.909 -12.258 6.058
225 HH21 ARG 28 HH21 ARG 28 -9.793 -8.843 6.452
226 HH22 ARG 28 HH22 ARG 28 -9.946 -10.404 7.136
227 H CYS 29 H CYS 29 -4.055 -8.173 1.064
228 HA CYS 29 HA CYS 29 -4.078 -5.686 2.290
229 HB2 CYS 29 HB2 CYS 29 -1.852 -7.456 1.369
230 HB3 CYS 29 HB1 CYS 29 -1.550 -5.908 2.137
231 H GLN 30 H GLN 30 -2.889 -6.636 -0.929
232 HA GLN 30 HA GLN 30 -1.635 -4.270 -1.594
233 HB2 GLN 30 HB2 GLN 30 -1.435 -6.338 -2.887
234 HB3 GLN 30 HB1 GLN 30 -3.103 -6.182 -3.406
235 HG2 GLN 30 HG2 GLN 30 -2.573 -4.203 -4.668
236 HG3 GLN 30 HG1 GLN 30 -0.919 -4.217 -4.054
237 HE21 GLN 30 1HE2 GLN 30 -1.936 -4.383 -6.799
238 HE22 GLN 30 2HE2 GLN 30 -1.252 -5.818 -7.455
239 H GLN 31 H GLN 31 -5.021 -5.189 -2.120
240 HA GLN 31 HA GLN 31 -5.746 -2.787 -3.395
241 HB2 GLN 31 HB2 GLN 31 -7.090 -4.851 -3.525
242 HB3 GLN 31 HB1 GLN 31 -7.491 -4.680 -1.822
243 HG2 GLN 31 HG2 GLN 31 -8.654 -2.612 -2.267
244 HG3 GLN 31 HG1 GLN 31 -8.203 -2.686 -3.963
245 HE21 GLN 31 1HE2 GLN 31 -9.248 -5.438 -2.036
246 HE22 GLN 31 2HE2 GLN 31 -10.727 -5.672 -2.870
247 H VAL 32 H VAL 32 -5.752 -3.768 -0.006
248 HA VAL 32 HA VAL 32 -7.036 -1.431 0.963
249 HB VAL 32 HB VAL 32 -5.205 -3.360 2.443
250 HG11 VAL 32 HG11 VAL 32 -7.079 -1.263 3.557
251 HG12 VAL 32 HG12 VAL 32 -5.318 -1.201 3.602
252 HG13 VAL 32 3HG1 VAL 32 -6.179 -2.446 4.507
253 HG21 VAL 32 HG21 VAL 32 -7.292 -4.288 3.340
254 HG22 VAL 32 HG22 VAL 32 -7.216 -4.421 1.583
255 HG23 VAL 32 HG23 VAL 32 -8.213 -3.173 2.329
256 H CYS 33 H CYS 33 -3.624 -2.342 0.696
257 HA CYS 33 HA CYS 33 -2.574 0.031 1.786
258 HB2 CYS 33 HB2 CYS 33 -1.287 -1.824 -0.239
259 HB3 CYS 33 HB1 CYS 33 -0.446 -0.633 0.745
260 H GLU 34 H GLU 34 -3.583 -0.830 -1.453
261 HA GLU 34 HA GLU 34 -2.592 1.418 -2.835
262 HB2 GLU 34 HB2 GLU 34 -3.361 -0.654 -3.915
263 HB3 GLU 34 HB1 GLU 34 -4.990 -0.335 -3.360
264 HG2 GLU 34 HG2 GLU 34 -5.038 1.692 -4.731
265 HG3 GLU 34 HG1 GLU 34 -3.419 1.297 -5.315
266 H LYS 35 H LYS 35 -5.658 0.692 -1.274
267 HA LYS 35 HA LYS 35 -6.983 3.109 -1.863
268 HB2 LYS 35 HB2 LYS 35 -8.067 1.015 -1.131
269 HB3 LYS 35 HB1 LYS 35 -7.379 1.225 0.469
270 HG2 LYS 35 HG2 LYS 35 -8.681 3.276 0.762
271 HG3 LYS 35 HG1 LYS 35 -9.362 3.074 -0.853
272 HD2 LYS 35 HD2 LYS 35 -9.686 1.150 1.457
273 HD3 LYS 35 HD1 LYS 35 -10.911 2.277 0.875
274 HE2 LYS 35 HE2 LYS 35 -10.898 1.121 -1.310
275 HE3 LYS 35 HE1 LYS 35 -9.702 -0.011 -0.691
276 HZ1 LYS 35 HZ1 LYS 35 -11.870 -0.961 -0.606
277 HZ2 LYS 35 HZ2 LYS 35 -12.469 0.316 0.322
278 HZ3 LYS 35 HZ3 LYS 35 -11.316 -0.740 0.962
279 H ARG 36 H ARG 36 -5.048 2.018 0.873
280 HA ARG 36 HA ARG 36 -5.198 4.322 2.457
281 HB2 ARG 36 HB2 ARG 36 -3.008 2.261 2.235
282 HB3 ARG 36 HB1 ARG 36 -2.997 3.556 3.417
283 HG2 ARG 36 HG2 ARG 36 -5.057 2.689 4.397
284 HG3 ARG 36 HG1 ARG 36 -5.087 1.406 3.188
285 HD2 ARG 36 HD2 ARG 36 -4.177 0.590 5.291
286 HD3 ARG 36 HD1 ARG 36 -2.962 0.559 4.013
287 HE ARG 36 HE ARG 36 -2.804 2.969 5.492
288 HH11 ARG 36 HH11 ARG 36 -1.953 -0.460 5.708
289 HH12 ARG 36 HH12 ARG 36 -0.672 -0.260 6.795
290 HH21 ARG 36 HH21 ARG 36 -1.042 3.295 7.040
291 HH22 ARG 36 HH22 ARG 36 -0.150 1.967 7.597
292 H LEU 37 H LEU 37 -2.944 3.402 -0.091
293 HA LEU 37 HA LEU 37 -1.250 5.619 0.053
294 HB2 LEU 37 HB2 LEU 37 -0.675 3.572 -1.142
295 HB3 LEU 37 HB1 LEU 37 -1.984 3.813 -2.262
296 HG LEU 37 HG LEU 37 0.366 4.226 -3.138
297 HD11 LEU 37 HD11 LEU 37 -1.533 4.998 -4.381
298 HD12 LEU 37 HD12 LEU 37 -0.230 6.183 -4.464
299 HD13 LEU 37 HD13 LEU 37 -1.612 6.463 -3.404
300 HD21 LEU 37 HD21 LEU 37 0.121 6.722 -1.468
301 HD22 LEU 37 HD22 LEU 37 1.372 6.407 -2.670
302 HD23 LEU 37 HD23 LEU 37 1.272 5.409 -1.220
303 H ARG 38 H ARG 38 -4.196 5.083 -1.768
304 HA ARG 38 HA ARG 38 -4.165 7.413 -3.294
305 HB2 ARG 38 HB2 ARG 38 -5.644 5.416 -3.609
306 HB3 ARG 38 HB1 ARG 38 -6.602 5.981 -2.259
307 HG2 ARG 38 HG2 ARG 38 -7.174 8.002 -3.475
308 HG3 ARG 38 HG1 ARG 38 -6.155 7.490 -4.824
309 HD2 ARG 38 HD2 ARG 38 -7.543 5.441 -5.003
310 HD3 ARG 38 HD1 ARG 38 -8.631 6.123 -3.793
311 HE ARG 38 HE ARG 38 -8.426 8.040 -5.708
312 HH11 ARG 38 HH11 ARG 38 -9.449 4.636 -5.697
313 HH12 ARG 38 HH12 ARG 38 -10.404 4.800 -7.098
314 HH21 ARG 38 HH21 ARG 38 -9.756 8.227 -7.613
315 HH22 ARG 38 HH22 ARG 38 -10.591 6.860 -8.185
316 H GLU 39 H GLU 39 -5.563 6.815 -0.085
317 HA GLU 39 HA GLU 39 -6.389 9.563 0.120
318 HB2 GLU 39 HB2 GLU 39 -6.971 8.980 2.502
319 HB3 GLU 39 HB1 GLU 39 -7.801 8.048 1.267
320 HG2 GLU 39 HG2 GLU 39 -6.468 6.153 1.676
321 HG3 GLU 39 HG1 GLU 39 -5.349 7.073 2.679
322 H ARG 40 H ARG 40 -3.615 7.732 0.981
323 HA ARG 40 HA ARG 40 -2.360 9.273 2.946
324 HB2 ARG 40 HB2 ARG 40 -1.588 7.044 2.105
325 HB3 ARG 40 HB1 ARG 40 -1.092 7.814 0.618
326 HG2 ARG 40 HG2 ARG 40 0.833 7.390 1.987
327 HG3 ARG 40 HG1 ARG 40 0.565 9.131 1.890
328 HD2 ARG 40 HD2 ARG 40 -0.343 9.198 4.074
329 HD3 ARG 40 HD1 ARG 40 -0.448 7.440 4.160
330 HE ARG 40 HE ARG 40 2.217 8.278 3.746
331 HH11 ARG 40 HH11 ARG 40 -0.262 8.169 6.266
332 HH12 ARG 40 HH12 ARG 40 0.842 7.924 7.532
333 HH21 ARG 40 HH21 ARG 40 3.745 7.960 5.527
334 HH22 ARG 40 HH22 ARG 40 3.144 7.844 7.120
335 H GLU 41 H GLU 41 -1.870 9.333 -0.569
336 HA GLU 41 HA GLU 41 -0.473 11.821 -0.455
337 HB2 GLU 41 HB2 GLU 41 -1.645 10.395 -2.837
338 HB3 GLU 41 HB1 GLU 41 -0.530 11.749 -2.901
339 HG2 GLU 41 HG2 GLU 41 1.140 10.322 -1.720
340 HG3 GLU 41 HG1 GLU 41 0.019 8.972 -1.900
341 H GLY 42 H GLY 42 -3.717 10.748 -1.254
342 HA2 GLY 42 HA2 GLY 42 -4.731 13.053 -2.449
343 HA3 GLY 42 HA1 GLY 42 -5.683 11.821 -1.646
344 H ARG 43 H ARG 43 -4.064 12.508 0.859
345 HA ARG 43 HA ARG 43 -5.842 14.382 2.007
346 HB2 ARG 43 HB2 ARG 43 -4.600 12.706 3.347
347 HB3 ARG 43 HB1 ARG 43 -3.093 13.509 2.944
348 HG2 ARG 43 HG2 ARG 43 -3.819 15.503 4.144
349 HG3 ARG 43 HG1 ARG 43 -5.347 14.712 4.533
350 HD2 ARG 43 HD2 ARG 43 -4.152 13.015 5.806
351 HD3 ARG 43 HD1 ARG 43 -2.614 13.773 5.389
352 HE ARG 43 HE ARG 43 -4.157 15.732 6.522
353 HH11 ARG 43 HH11 ARG 43 -2.852 12.615 7.613
354 HH12 ARG 43 HH12 ARG 43 -2.619 13.088 9.223
355 HH21 ARG 43 HH21 ARG 43 -3.864 16.384 8.785
356 HH22 ARG 43 HH22 ARG 43 -3.239 15.275 9.914
357 H ARG 44 H ARG 44 -2.809 14.643 0.353
358 HA ARG 44 HA ARG 44 -2.738 17.544 0.856
359 HB2 ARG 44 HB2 ARG 44 -0.744 16.228 1.588
360 HB3 ARG 44 HB1 ARG 44 -0.493 15.757 -0.087
361 HG2 ARG 44 HG2 ARG 44 -0.275 18.149 -0.674
362 HG3 ARG 44 HG1 ARG 44 -0.383 18.532 1.046
363 HD2 ARG 44 HD2 ARG 44 1.916 18.499 0.418
364 HD3 ARG 44 HD1 ARG 44 1.598 17.083 1.423
365 HE ARG 44 HE ARG 44 1.316 16.563 -1.369
366 HH11 ARG 44 HH11 ARG 44 3.746 16.865 1.199
367 HH12 ARG 44 HH12 ARG 44 4.875 15.838 0.459
368 HH21 ARG 44 HH21 ARG 44 2.881 15.144 -2.396
369 HH22 ARG 44 HH22 ARG 44 4.370 14.836 -1.655
370 H GLU 45 H GLU 45 -2.110 15.065 -1.618
371 HA GLU 45 HA GLU 45 -2.086 16.972 -3.762
372 HB2 GLU 45 HB2 GLU 45 -2.162 13.953 -3.906
373 HB3 GLU 45 HB1 GLU 45 -1.672 15.060 -5.175
374 HG2 GLU 45 HG2 GLU 45 -0.204 14.551 -2.594
375 HG3 GLU 45 HG1 GLU 45 0.228 13.926 -4.179
376 H VAL 46 H VAL 46 -4.044 17.811 -4.155
377 HA VAL 46 HA VAL 46 -6.363 16.042 -4.150
378 HB VAL 46 HB VAL 46 -6.266 19.072 -4.392
379 HG11 VAL 46 HG11 VAL 46 -8.672 18.979 -3.898
380 HG12 VAL 46 HG12 VAL 46 -8.600 17.215 -3.922
381 HG13 VAL 46 3HG1 VAL 46 -8.265 18.134 -5.391
382 HG21 VAL 46 HG21 VAL 46 -6.909 17.365 -1.985
383 HG22 VAL 46 HG22 VAL 46 -7.046 19.123 -2.062
384 HG23 VAL 46 HG23 VAL 46 -5.465 18.353 -2.202
385 H ASP 47 H ASP 47 -6.387 14.998 -6.040
386 HA ASP 47 HA ASP 47 -6.291 16.626 -8.433
387 HB2 ASP 47 HB2 ASP 47 -5.156 14.886 -9.691
388 HB3 ASP 47 HB1 ASP 47 -4.203 15.247 -8.269
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 11.686 12.056 2.764
2 H3 PRO 1 HT2 PRO 1 10.794 13.080 1.876
3 HA PRO 1 HA PRO 1 9.198 11.716 1.528
4 HB2 PRO 1 HB2 PRO 1 10.481 9.194 2.162
5 HB3 PRO 1 HB1 PRO 1 9.509 9.642 0.756
6 HG2 PRO 1 HG2 PRO 1 12.387 9.551 0.976
7 HG3 PRO 1 HG1 PRO 1 11.397 9.896 -0.447
8 HD2 PRO 1 HD2 PRO 1 13.006 11.752 0.853
9 HD3 PRO 1 HD1 PRO 1 11.646 12.164 -0.203
10 H ARG 2 H ARG 2 7.836 11.560 3.116
11 HA ARG 2 HA ARG 2 8.211 10.095 5.460
12 HB2 ARG 2 HB2 ARG 2 9.550 12.187 6.054
13 HB3 ARG 2 HB1 ARG 2 8.072 13.112 5.848
14 HG2 ARG 2 HG2 ARG 2 8.482 12.687 8.199
15 HG3 ARG 2 HG1 ARG 2 7.029 11.830 7.670
16 HD2 ARG 2 HD2 ARG 2 8.317 9.773 7.436
17 HD3 ARG 2 HD1 ARG 2 9.777 10.626 7.926
18 HE ARG 2 HE ARG 2 8.089 11.008 9.993
19 HH11 ARG 2 HH11 ARG 2 9.208 8.148 8.255
20 HH12 ARG 2 HH12 ARG 2 9.090 7.101 9.580
21 HH21 ARG 2 HH21 ARG 2 7.947 9.566 11.858
22 HH22 ARG 2 HH22 ARG 2 8.368 7.925 11.674
23 H GLY 3 H GLY 3 6.272 9.226 5.111
24 HA2 GLY 3 HA2 GLY 3 3.944 9.145 5.189
25 HA3 GLY 3 HA1 GLY 3 3.904 10.910 5.234
26 H SER 4 H SER 4 5.298 8.558 3.023
27 HA SER 4 HA SER 4 4.312 10.125 0.786
28 HB2 SER 4 HB2 SER 4 6.299 7.839 0.793
29 HB3 SER 4 HB1 SER 4 6.020 9.020 -0.487
30 HG SER 4 HG SER 4 6.960 10.541 0.632
31 HA PRO 5 HA PRO 5 0.991 7.327 -0.046
32 HB2 PRO 5 HB2 PRO 5 0.919 7.499 -2.784
33 HB3 PRO 5 HB1 PRO 5 0.243 8.705 -1.687
34 HG2 PRO 5 HG2 PRO 5 2.875 8.698 -3.104
35 HG3 PRO 5 HG1 PRO 5 1.738 10.037 -2.870
36 HD2 PRO 5 HD2 PRO 5 3.935 9.818 -1.378
37 HD3 PRO 5 HD1 PRO 5 2.404 10.383 -0.679
38 H ARG 6 H ARG 6 3.996 6.703 -1.894
39 HA ARG 6 HA ARG 6 2.840 4.140 -2.663
40 HB2 ARG 6 HB2 ARG 6 5.436 5.398 -3.549
41 HB3 ARG 6 HB1 ARG 6 4.775 3.885 -4.140
42 HG2 ARG 6 HG2 ARG 6 2.834 5.066 -5.021
43 HG3 ARG 6 HG1 ARG 6 3.510 6.594 -4.454
44 HD2 ARG 6 HD2 ARG 6 4.712 4.736 -6.497
45 HD3 ARG 6 HD1 ARG 6 3.948 6.290 -6.810
46 HE ARG 6 HE ARG 6 6.234 6.261 -5.021
47 HH11 ARG 6 HH11 ARG 6 4.937 7.055 -8.219
48 HH12 ARG 6 HH12 ARG 6 6.308 7.939 -8.695
49 HH21 ARG 6 HH21 ARG 6 8.077 7.465 -5.671
50 HH22 ARG 6 HH22 ARG 6 8.145 8.182 -7.215
51 H THR 7 H THR 7 5.014 5.589 -0.557
52 HA THR 7 HA THR 7 6.663 3.448 0.047
53 HB THR 7 HB THR 7 5.767 5.750 1.754
54 HG1 THR 7 HG1 THR 7 7.300 5.498 -0.576
55 HG21 THR 7 HG21 THR 7 8.027 5.617 2.559
56 HG22 THR 7 HG22 THR 7 8.330 4.266 1.444
57 HG23 THR 7 HG23 THR 7 7.189 4.066 2.799
58 H GLU 8 H GLU 8 3.668 4.710 1.504
59 HA GLU 8 HA GLU 8 3.271 2.835 3.561
60 HB2 GLU 8 HB2 GLU 8 1.982 4.924 3.281
61 HB3 GLU 8 HB1 GLU 8 1.257 4.280 1.819
62 HG2 GLU 8 HG2 GLU 8 -0.361 4.079 3.502
63 HG3 GLU 8 HG1 GLU 8 0.274 2.460 3.238
64 H TYR 9 H TYR 9 2.328 2.908 0.180
65 HA TYR 9 HA TYR 9 0.710 0.694 0.036
66 HB2 TYR 9 HB2 TYR 9 0.557 2.470 -1.476
67 HB3 TYR 9 HB1 TYR 9 2.274 2.420 -1.810
68 HD1 TYR 9 HD1 TYR 9 -0.937 0.907 -2.485
69 HD2 TYR 9 HD2 TYR 9 3.152 0.975 -3.325
70 HE1 TYR 9 HE1 TYR 9 -1.408 -0.350 -4.509
71 HE2 TYR 9 HE2 TYR 9 2.817 -0.342 -5.386
72 HH TYR 9 HH TYR 9 -0.312 -0.830 -6.699
73 H GLU 10 H GLU 10 4.114 1.161 -0.988
74 HA GLU 10 HA GLU 10 4.418 -1.477 -1.899
75 HB2 GLU 10 HB2 GLU 10 5.745 0.526 -2.622
76 HB3 GLU 10 HB1 GLU 10 6.611 0.427 -1.096
77 HG2 GLU 10 HG2 GLU 10 7.889 -0.595 -2.849
78 HG3 GLU 10 HG1 GLU 10 7.366 -1.828 -1.692
79 H ALA 11 H ALA 11 5.222 0.094 1.178
80 HA ALA 11 HA ALA 11 6.647 -2.059 2.300
81 HB1 ALA 11 HB1 ALA 11 4.945 -0.003 3.722
82 HB2 ALA 11 HB2 ALA 11 6.646 0.192 3.294
83 HB3 ALA 11 HB3 ALA 11 6.166 -1.031 4.472
84 H CYS 12 H CYS 12 3.272 -1.336 2.049
85 HA CYS 12 HA CYS 12 2.212 -3.348 3.721
86 HB2 CYS 12 HB2 CYS 12 0.950 -1.382 2.904
87 HB3 CYS 12 HB1 CYS 12 1.059 -2.007 1.274
88 H ARG 13 H ARG 13 3.074 -3.218 0.297
89 HA ARG 13 HA ARG 13 2.026 -5.747 -0.432
90 HB2 ARG 13 HB2 ARG 13 4.279 -4.213 -1.719
91 HB3 ARG 13 HB1 ARG 13 3.394 -5.545 -2.440
92 HG2 ARG 13 HG2 ARG 13 1.353 -4.154 -2.377
93 HG3 ARG 13 HG1 ARG 13 2.329 -2.821 -1.763
94 HD2 ARG 13 HD2 ARG 13 2.071 -2.598 -4.148
95 HD3 ARG 13 HD1 ARG 13 3.750 -2.967 -3.760
96 HE ARG 13 HE ARG 13 1.837 -5.008 -4.682
97 HH11 ARG 13 HH11 ARG 13 5.121 -3.662 -4.729
98 HH12 ARG 13 HH12 ARG 13 5.621 -4.605 -6.053
99 HH21 ARG 13 HH21 ARG 13 2.560 -6.315 -6.455
100 HH22 ARG 13 HH22 ARG 13 4.166 -6.187 -7.022
101 H VAL 14 H VAL 14 5.271 -4.631 0.440
102 HA VAL 14 HA VAL 14 6.564 -7.123 0.197
103 HB VAL 14 HB VAL 14 7.317 -4.836 2.054
104 HG11 VAL 14 HG11 VAL 14 9.596 -5.744 1.935
105 HG12 VAL 14 HG12 VAL 14 9.003 -7.091 0.965
106 HG13 VAL 14 3HG1 VAL 14 8.465 -6.904 2.634
107 HG21 VAL 14 HG21 VAL 14 8.233 -5.386 -0.772
108 HG22 VAL 14 HG22 VAL 14 8.839 -4.104 0.278
109 HG23 VAL 14 HG23 VAL 14 7.162 -4.079 -0.266
110 H ARG 15 H ARG 15 5.079 -5.502 2.937
111 HA ARG 15 HA ARG 15 5.696 -7.234 5.009
112 HB2 ARG 15 HB2 ARG 15 4.617 -4.990 5.141
113 HB3 ARG 15 HB1 ARG 15 3.126 -5.736 4.613
114 HG2 ARG 15 HG2 ARG 15 3.092 -7.107 6.638
115 HG3 ARG 15 HG1 ARG 15 4.599 -6.347 7.167
116 HD2 ARG 15 HD2 ARG 15 1.955 -4.984 6.682
117 HD3 ARG 15 HD1 ARG 15 2.766 -5.208 8.238
118 HE ARG 15 HE ARG 15 4.602 -3.848 7.069
119 HH11 ARG 15 HH11 ARG 15 1.098 -3.255 6.812
120 HH12 ARG 15 HH12 ARG 15 1.302 -1.634 6.337
121 HH21 ARG 15 HH21 ARG 15 4.827 -1.611 6.445
122 HH22 ARG 15 HH22 ARG 15 3.448 -0.670 6.150
123 H CYS 16 H CYS 16 2.746 -7.214 3.018
124 HA CYS 16 HA CYS 16 1.841 -9.597 4.230
125 HB2 CYS 16 HB2 CYS 16 0.831 -8.109 1.816
126 HB3 CYS 16 HB1 CYS 16 0.031 -9.522 2.509
127 H GLN 17 H GLN 17 3.814 -8.989 1.459
128 HA GLN 17 HA GLN 17 3.589 -11.493 0.174
129 HB2 GLN 17 HB2 GLN 17 4.660 -9.517 -0.842
130 HB3 GLN 17 HB1 GLN 17 5.925 -9.571 0.364
131 HG2 GLN 17 HG2 GLN 17 6.822 -10.433 -1.663
132 HG3 GLN 17 HG1 GLN 17 6.605 -11.782 -0.560
133 HE21 GLN 17 1HE2 GLN 17 5.167 -13.384 -1.080
134 HE22 GLN 17 2HE2 GLN 17 4.411 -13.489 -2.627
135 H VAL 18 H VAL 18 5.286 -10.387 3.011
136 HA VAL 18 HA VAL 18 6.699 -12.922 3.262
137 HB VAL 18 HB VAL 18 6.828 -10.462 5.037
138 HG11 VAL 18 HG11 VAL 18 7.400 -12.515 6.246
139 HG12 VAL 18 HG12 VAL 18 8.813 -11.484 6.023
140 HG13 VAL 18 3HG1 VAL 18 8.594 -12.909 5.010
141 HG21 VAL 18 HG21 VAL 18 8.733 -11.457 2.924
142 HG22 VAL 18 HG22 VAL 18 9.039 -10.109 4.015
143 HG23 VAL 18 HG23 VAL 18 7.731 -10.008 2.835
144 H ALA 19 H ALA 19 4.630 -10.878 5.308
145 HA ALA 19 HA ALA 19 4.355 -12.737 7.384
146 HB1 ALA 19 HB1 ALA 19 4.102 -10.313 7.629
147 HB2 ALA 19 HB2 ALA 19 2.768 -11.227 8.327
148 HB3 ALA 19 HB3 ALA 19 2.562 -10.412 6.777
149 H GLU 20 H GLU 20 1.999 -11.846 4.855
150 HA GLU 20 HA GLU 20 -0.027 -13.511 5.962
151 HB2 GLU 20 HB2 GLU 20 0.191 -12.217 3.251
152 HB3 GLU 20 HB1 GLU 20 -1.236 -13.042 3.861
153 HG2 GLU 20 HG2 GLU 20 0.022 -10.606 5.098
154 HG3 GLU 20 HG1 GLU 20 -1.389 -10.600 4.043
155 H HIS 21 H HIS 21 2.012 -13.732 3.120
156 HA HIS 21 HA HIS 21 2.595 -15.363 1.735
157 HB2 HIS 21 HB2 HIS 21 3.663 -16.260 3.824
158 HB3 HIS 21 HB1 HIS 21 2.223 -17.224 4.109
159 HD1 HIS 21 HD1 HIS 21 5.285 -17.056 1.930
160 HD2 HIS 21 HD2 HIS 21 1.999 -19.519 2.547
161 HE1 HIS 21 HE1 HIS 21 5.786 -19.200 0.719
162 H GLY 22 H GLY 22 0.693 -14.873 0.634
163 HA2 GLY 22 HA2 GLY 22 -0.674 -17.043 -0.350
164 HA3 GLY 22 HA1 GLY 22 -1.704 -16.325 0.891
165 H VAL 23 H VAL 23 -1.742 -16.426 -2.135
166 HA VAL 23 HA VAL 23 -1.207 -13.898 -3.227
167 HB VAL 23 HB VAL 23 -3.252 -15.937 -4.133
168 HG11 VAL 23 HG11 VAL 23 -1.890 -13.735 -5.662
169 HG12 VAL 23 HG12 VAL 23 -3.591 -13.771 -5.194
170 HG13 VAL 23 3HG1 VAL 23 -2.970 -14.942 -6.359
171 HG21 VAL 23 HG21 VAL 23 -0.354 -15.627 -4.908
172 HG22 VAL 23 HG22 VAL 23 -1.497 -16.767 -5.621
173 HG23 VAL 23 HG23 VAL 23 -1.037 -16.923 -3.927
174 H GLU 24 H GLU 24 -4.223 -15.315 -2.093
175 HA GLU 24 HA GLU 24 -5.986 -13.225 -2.607
176 HB2 GLU 24 HB2 GLU 24 -6.612 -15.530 -1.991
177 HB3 GLU 24 HB1 GLU 24 -6.028 -15.244 -0.363
178 HG2 GLU 24 HG2 GLU 24 -7.743 -13.496 -0.096
179 HG3 GLU 24 HG1 GLU 24 -8.355 -13.898 -1.702
180 H ARG 25 H ARG 25 -4.191 -14.018 0.312
181 HA ARG 25 HA ARG 25 -5.130 -11.903 1.931
182 HB2 ARG 25 HB2 ARG 25 -2.547 -13.449 2.120
183 HB3 ARG 25 HB1 ARG 25 -3.186 -12.388 3.366
184 HG2 ARG 25 HG2 ARG 25 -4.494 -14.907 2.361
185 HG3 ARG 25 HG1 ARG 25 -3.589 -14.740 3.865
186 HD2 ARG 25 HD2 ARG 25 -6.146 -13.300 3.144
187 HD3 ARG 25 HD1 ARG 25 -5.981 -14.639 4.273
188 HE ARG 25 HE ARG 25 -4.280 -12.534 5.085
189 HH11 ARG 25 HH11 ARG 25 -7.723 -13.307 4.922
190 HH12 ARG 25 HH12 ARG 25 -8.134 -12.302 6.231
191 HH21 ARG 25 HH21 ARG 25 -4.823 -11.210 6.870
192 HH22 ARG 25 HH22 ARG 25 -6.442 -11.086 7.382
193 H GLN 26 H GLN 26 -2.322 -12.192 -0.172
194 HA GLN 26 HA GLN 26 -1.166 -9.735 0.574
195 HB2 GLN 26 HB2 GLN 26 0.066 -11.562 -0.537
196 HB3 GLN 26 HB1 GLN 26 -0.853 -11.265 -2.003
197 HG2 GLN 26 HG2 GLN 26 0.106 -9.051 -2.190
198 HG3 GLN 26 HG1 GLN 26 0.981 -9.287 -0.676
199 HE21 GLN 26 1HE2 GLN 26 2.000 -8.741 -3.342
200 HE22 GLN 26 2HE2 GLN 26 3.073 -10.044 -3.690
201 H ARG 27 H ARG 27 -3.346 -10.670 -2.063
202 HA ARG 27 HA ARG 27 -3.433 -8.114 -3.258
203 HB2 ARG 27 HB2 ARG 27 -5.517 -10.289 -3.326
204 HB3 ARG 27 HB1 ARG 27 -5.526 -8.872 -4.360
205 HG2 ARG 27 HG2 ARG 27 -3.326 -9.623 -5.269
206 HG3 ARG 27 HG1 ARG 27 -3.518 -11.109 -4.334
207 HD2 ARG 27 HD2 ARG 27 -5.266 -10.091 -6.564
208 HD3 ARG 27 HD1 ARG 27 -4.278 -11.551 -6.548
209 HE ARG 27 HE ARG 27 -6.492 -11.270 -4.645
210 HH11 ARG 27 HH11 ARG 27 -5.083 -13.050 -7.409
211 HH12 ARG 27 HH12 ARG 27 -6.321 -14.228 -7.360
212 HH21 ARG 27 HH21 ARG 27 -8.111 -12.867 -4.675
213 HH22 ARG 27 HH22 ARG 27 -8.017 -14.166 -5.794
214 H ARG 28 H ARG 28 -5.279 -9.583 -0.675
215 HA ARG 28 HA ARG 28 -7.191 -7.568 -0.330
216 HB2 ARG 28 HB2 ARG 28 -5.876 -9.335 1.738
217 HB3 ARG 28 HB1 ARG 28 -7.209 -8.250 2.095
218 HG2 ARG 28 HG2 ARG 28 -7.252 -10.612 0.231
219 HG3 ARG 28 HG1 ARG 28 -8.045 -10.481 1.803
220 HD2 ARG 28 HD2 ARG 28 -8.667 -8.923 -0.700
221 HD3 ARG 28 HD1 ARG 28 -9.689 -10.110 0.097
222 HE ARG 28 HE ARG 28 -9.549 -8.452 2.044
223 HH11 ARG 28 HH11 ARG 28 -9.760 -7.593 -1.386
224 HH12 ARG 28 HH12 ARG 28 -10.489 -6.077 -1.117
225 HH21 ARG 28 HH21 ARG 28 -10.504 -6.353 2.415
226 HH22 ARG 28 HH22 ARG 28 -10.896 -5.329 1.112
227 H CYS 29 H CYS 29 -3.960 -7.868 1.084
228 HA CYS 29 HA CYS 29 -3.943 -5.466 2.478
229 HB2 CYS 29 HB2 CYS 29 -1.686 -6.919 1.117
230 HB3 CYS 29 HB1 CYS 29 -1.494 -5.615 2.275
231 H GLN 30 H GLN 30 -2.928 -6.265 -0.814
232 HA GLN 30 HA GLN 30 -1.950 -3.746 -1.473
233 HB2 GLN 30 HB2 GLN 30 -3.027 -5.880 -3.305
234 HB3 GLN 30 HB1 GLN 30 -2.108 -4.471 -3.819
235 HG2 GLN 30 HG2 GLN 30 -0.222 -5.239 -2.424
236 HG3 GLN 30 HG1 GLN 30 -1.142 -6.677 -2.024
237 HE21 GLN 30 1HE2 GLN 30 -2.251 -6.856 -4.764
238 HE22 GLN 30 2HE2 GLN 30 -0.960 -7.470 -5.726
239 H GLN 31 H GLN 31 -5.222 -5.065 -1.834
240 HA GLN 31 HA GLN 31 -6.212 -2.876 -3.310
241 HB2 GLN 31 HB2 GLN 31 -7.410 -5.037 -3.132
242 HB3 GLN 31 HB1 GLN 31 -7.765 -4.684 -1.445
243 HG2 GLN 31 HG2 GLN 31 -9.013 -2.685 -2.146
244 HG3 GLN 31 HG1 GLN 31 -8.699 -3.100 -3.827
245 HE21 GLN 31 1HE2 GLN 31 -9.764 -4.852 -4.722
246 HE22 GLN 31 2HE2 GLN 31 -11.172 -5.526 -4.005
247 H VAL 32 H VAL 32 -6.193 -3.498 0.177
248 HA VAL 32 HA VAL 32 -7.555 -1.121 0.907
249 HB VAL 32 HB VAL 32 -5.626 -2.797 2.548
250 HG11 VAL 32 HG11 VAL 32 -7.677 -0.777 3.460
251 HG12 VAL 32 HG12 VAL 32 -5.927 -0.582 3.532
252 HG13 VAL 32 3HG1 VAL 32 -6.718 -1.813 4.517
253 HG21 VAL 32 HG21 VAL 32 -7.534 -4.082 1.730
254 HG22 VAL 32 HG22 VAL 32 -8.637 -2.880 2.409
255 HG23 VAL 32 HG23 VAL 32 -7.619 -3.848 3.475
256 H CYS 33 H CYS 33 -4.143 -1.943 0.647
257 HA CYS 33 HA CYS 33 -3.329 0.635 1.497
258 HB2 CYS 33 HB2 CYS 33 -1.734 -1.595 0.241
259 HB3 CYS 33 HB1 CYS 33 -1.048 -0.144 0.975
260 H GLU 34 H GLU 34 -4.288 -0.637 -1.521
261 HA GLU 34 HA GLU 34 -3.069 1.326 -3.174
262 HB2 GLU 34 HB2 GLU 34 -3.903 -0.751 -4.116
263 HB3 GLU 34 HB1 GLU 34 -5.520 -0.402 -3.537
264 HG2 GLU 34 HG2 GLU 34 -5.688 1.456 -5.078
265 HG3 GLU 34 HG1 GLU 34 -4.040 1.162 -5.627
266 H LYS 35 H LYS 35 -6.017 1.073 -1.325
267 HA LYS 35 HA LYS 35 -7.239 3.448 -2.237
268 HB2 LYS 35 HB2 LYS 35 -7.448 2.112 0.473
269 HB3 LYS 35 HB1 LYS 35 -8.523 3.364 -0.132
270 HG2 LYS 35 HG2 LYS 35 -9.293 1.882 -1.895
271 HG3 LYS 35 HG1 LYS 35 -8.171 0.635 -1.355
272 HD2 LYS 35 HD2 LYS 35 -10.421 0.172 -0.541
273 HD3 LYS 35 HD1 LYS 35 -9.338 0.526 0.803
274 HE2 LYS 35 HE2 LYS 35 -10.204 2.793 0.933
275 HE3 LYS 35 HE1 LYS 35 -11.240 2.502 -0.463
276 HZ1 LYS 35 HZ1 LYS 35 -12.406 0.832 0.814
277 HZ2 LYS 35 HZ2 LYS 35 -12.460 2.322 1.592
278 HZ3 LYS 35 HZ3 LYS 35 -11.419 1.113 2.152
279 H ARG 36 H ARG 36 -5.217 2.702 0.540
280 HA ARG 36 HA ARG 36 -4.901 5.274 1.590
281 HB2 ARG 36 HB2 ARG 36 -2.945 2.967 1.647
282 HB3 ARG 36 HB1 ARG 36 -2.875 4.379 2.696
283 HG2 ARG 36 HG2 ARG 36 -4.972 3.795 3.712
284 HG3 ARG 36 HG1 ARG 36 -5.192 2.466 2.579
285 HD2 ARG 36 HD2 ARG 36 -4.448 1.540 4.642
286 HD3 ARG 36 HD1 ARG 36 -3.135 1.445 3.487
287 HE ARG 36 HE ARG 36 -2.173 3.424 4.618
288 HH11 ARG 36 HH11 ARG 36 -4.559 1.509 6.419
289 HH12 ARG 36 HH12 ARG 36 -3.799 1.735 7.927
290 HH21 ARG 36 HH21 ARG 36 -1.139 3.724 6.700
291 HH22 ARG 36 HH22 ARG 36 -1.852 3.042 8.101
292 H LEU 37 H LEU 37 -3.097 3.560 -0.892
293 HA LEU 37 HA LEU 37 -1.024 5.283 -1.499
294 HB2 LEU 37 HB2 LEU 37 -1.191 3.104 -2.494
295 HB3 LEU 37 HB1 LEU 37 -2.745 3.478 -3.190
296 HG LEU 37 HG LEU 37 -1.640 5.056 -4.713
297 HD11 LEU 37 HD11 LEU 37 0.766 4.939 -5.034
298 HD12 LEU 37 HD12 LEU 37 0.891 3.870 -3.632
299 HD13 LEU 37 HD13 LEU 37 0.357 5.539 -3.424
300 HD21 LEU 37 HD21 LEU 37 -0.671 2.226 -4.846
301 HD22 LEU 37 HD22 LEU 37 -0.673 3.372 -6.187
302 HD23 LEU 37 HD23 LEU 37 -2.198 2.854 -5.466
303 H ARG 38 H ARG 38 -4.203 5.115 -3.071
304 HA ARG 38 HA ARG 38 -3.782 7.416 -4.658
305 HB2 ARG 38 HB2 ARG 38 -6.331 5.977 -4.010
306 HB3 ARG 38 HB1 ARG 38 -6.158 7.213 -5.247
307 HG2 ARG 38 HG2 ARG 38 -4.568 5.812 -6.441
308 HG3 ARG 38 HG1 ARG 38 -4.712 4.580 -5.187
309 HD2 ARG 38 HD2 ARG 38 -6.917 5.568 -6.981
310 HD3 ARG 38 HD1 ARG 38 -6.099 4.006 -7.082
311 HE ARG 38 HE ARG 38 -7.570 4.767 -4.656
312 HH11 ARG 38 HH11 ARG 38 -7.187 2.582 -7.410
313 HH12 ARG 38 HH12 ARG 38 -8.270 1.427 -6.795
314 HH21 ARG 38 HH21 ARG 38 -9.069 3.226 -3.850
315 HH22 ARG 38 HH22 ARG 38 -9.371 1.796 -4.730
316 H GLU 39 H GLU 39 -5.445 6.899 -1.620
317 HA GLU 39 HA GLU 39 -6.627 9.439 -1.461
318 HB2 GLU 39 HB2 GLU 39 -5.828 7.481 0.657
319 HB3 GLU 39 HB1 GLU 39 -6.624 9.002 1.019
320 HG2 GLU 39 HG2 GLU 39 -8.528 8.307 -0.359
321 HG3 GLU 39 HG1 GLU 39 -7.722 6.763 -0.656
322 H ARG 40 H ARG 40 -3.530 8.231 -0.218
323 HA ARG 40 HA ARG 40 -2.929 10.671 1.065
324 HB2 ARG 40 HB2 ARG 40 -1.884 8.517 1.690
325 HB3 ARG 40 HB1 ARG 40 -1.001 8.523 0.172
326 HG2 ARG 40 HG2 ARG 40 0.243 10.457 0.825
327 HG3 ARG 40 HG1 ARG 40 -0.742 10.666 2.270
328 HD2 ARG 40 HD2 ARG 40 1.109 8.357 1.674
329 HD3 ARG 40 HD1 ARG 40 1.382 9.647 2.837
330 HE ARG 40 HE ARG 40 -1.033 8.440 3.470
331 HH11 ARG 40 HH11 ARG 40 2.425 7.557 3.463
332 HH12 ARG 40 HH12 ARG 40 2.255 6.464 4.748
333 HH21 ARG 40 HH21 ARG 40 -1.232 6.837 5.152
334 HH22 ARG 40 HH22 ARG 40 0.133 5.960 5.644
335 H GLU 41 H GLU 41 -2.134 9.405 -2.142
336 HA GLU 41 HA GLU 41 -0.586 11.714 -2.755
337 HB2 GLU 41 HB2 GLU 41 -0.593 10.925 -5.103
338 HB3 GLU 41 HB1 GLU 41 -0.086 9.680 -3.978
339 HG2 GLU 41 HG2 GLU 41 -2.202 8.602 -4.135
340 HG3 GLU 41 HG1 GLU 41 -2.848 9.905 -5.130
341 H GLY 42 H GLY 42 -3.978 10.872 -3.174
342 HA2 GLY 42 HA2 GLY 42 -4.618 13.056 -4.891
343 HA3 GLY 42 HA1 GLY 42 -5.757 12.079 -3.976
344 H ARG 43 H ARG 43 -4.344 12.690 -1.475
345 HA ARG 43 HA ARG 43 -5.590 15.218 -0.984
346 HB2 ARG 43 HB2 ARG 43 -4.231 13.275 0.868
347 HB3 ARG 43 HB1 ARG 43 -4.850 14.835 1.403
348 HG2 ARG 43 HG2 ARG 43 -7.078 14.231 0.698
349 HG3 ARG 43 HG1 ARG 43 -6.489 12.690 0.083
350 HD2 ARG 43 HD2 ARG 43 -5.841 12.040 2.346
351 HD3 ARG 43 HD1 ARG 43 -6.413 13.592 2.960
352 HE ARG 43 HE ARG 43 -8.629 12.973 2.224
353 HH11 ARG 43 HH11 ARG 43 -6.300 10.370 2.815
354 HH12 ARG 43 HH12 ARG 43 -7.485 9.135 2.836
355 HH21 ARG 43 HH21 ARG 43 -10.266 11.217 2.376
356 HH22 ARG 43 HH22 ARG 43 -9.737 9.627 2.642
357 H ARG 44 H ARG 44 -2.350 13.988 -1.272
358 HA ARG 44 HA ARG 44 -1.128 16.431 -0.416
359 HB2 ARG 44 HB2 ARG 44 0.071 14.295 -0.239
360 HB3 ARG 44 HB1 ARG 44 0.014 14.102 -1.981
361 HG2 ARG 44 HG2 ARG 44 2.228 14.832 -1.216
362 HG3 ARG 44 HG1 ARG 44 1.462 16.020 -2.268
363 HD2 ARG 44 HD2 ARG 44 2.586 17.048 -0.332
364 HD3 ARG 44 HD1 ARG 44 0.858 17.381 -0.383
365 HE ARG 44 HE ARG 44 1.598 15.112 1.221
366 HH11 ARG 44 HH11 ARG 44 1.120 18.645 1.206
367 HH12 ARG 44 HH12 ARG 44 0.789 18.757 2.855
368 HH21 ARG 44 HH21 ARG 44 1.139 15.284 3.542
369 HH22 ARG 44 HH22 ARG 44 0.764 16.807 4.210
370 H GLU 45 H GLU 45 -1.952 14.969 -3.514
371 HA GLU 45 HA GLU 45 -1.120 17.367 -4.880
372 HB2 GLU 45 HB2 GLU 45 -2.198 14.754 -5.896
373 HB3 GLU 45 HB1 GLU 45 -1.782 16.107 -6.929
374 HG2 GLU 45 HG2 GLU 45 0.538 15.964 -6.090
375 HG3 GLU 45 HG1 GLU 45 0.060 14.537 -5.164
376 H VAL 46 H VAL 46 -2.553 18.854 -4.356
377 HA VAL 46 HA VAL 46 -5.342 18.277 -4.250
378 HB VAL 46 HB VAL 46 -5.653 20.694 -3.794
379 HG11 VAL 46 HG11 VAL 46 -4.487 20.731 -1.630
380 HG12 VAL 46 HG12 VAL 46 -3.519 19.351 -2.145
381 HG13 VAL 46 3HG1 VAL 46 -5.262 19.182 -1.947
382 HG21 VAL 46 HG21 VAL 46 -2.645 20.840 -4.052
383 HG22 VAL 46 HG22 VAL 46 -3.684 22.134 -3.453
384 HG23 VAL 46 HG23 VAL 46 -3.815 21.601 -5.131
385 H ASP 47 H ASP 47 -6.846 18.701 -5.670
386 HA ASP 47 HA ASP 47 -6.109 20.031 -8.163
387 HB2 ASP 47 HB2 ASP 47 -6.284 17.639 -8.631
388 HB3 ASP 47 HB1 ASP 47 -7.851 17.578 -7.827
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 11.899 10.578 3.152
2 H3 PRO 1 HT2 PRO 1 13.314 11.348 2.960
3 HA PRO 1 HA PRO 1 14.424 9.600 2.460
4 HB2 PRO 1 HB2 PRO 1 12.689 7.489 3.410
5 HB3 PRO 1 HB1 PRO 1 14.396 7.771 3.774
6 HG2 PRO 1 HG2 PRO 1 12.038 8.526 5.329
7 HG3 PRO 1 HG1 PRO 1 13.739 8.507 5.816
8 HD2 PRO 1 HD2 PRO 1 12.322 10.819 5.464
9 HD3 PRO 1 HD1 PRO 1 14.070 10.716 5.188
10 H ARG 2 H ARG 2 14.043 8.055 0.761
11 HA ARG 2 HA ARG 2 13.214 7.398 -1.181
12 HB2 ARG 2 HB2 ARG 2 10.536 7.727 0.193
13 HB3 ARG 2 HB1 ARG 2 10.657 7.203 -1.470
14 HG2 ARG 2 HG2 ARG 2 10.345 5.257 -0.177
15 HG3 ARG 2 HG1 ARG 2 12.046 5.262 -0.622
16 HD2 ARG 2 HD2 ARG 2 11.742 4.603 1.701
17 HD3 ARG 2 HD1 ARG 2 12.616 6.132 1.590
18 HE ARG 2 HE ARG 2 10.044 6.905 1.862
19 HH11 ARG 2 HH11 ARG 2 12.026 4.660 3.763
20 HH12 ARG 2 HH12 ARG 2 11.241 5.003 5.235
21 HH21 ARG 2 HH21 ARG 2 9.021 7.422 3.858
22 HH22 ARG 2 HH22 ARG 2 9.477 6.651 5.293
23 H GLY 3 H GLY 3 11.500 8.097 -2.936
24 HA2 GLY 3 HA2 GLY 3 11.510 11.033 -3.072
25 HA3 GLY 3 HA1 GLY 3 11.998 10.040 -4.448
26 H SER 4 H SER 4 10.194 8.016 -4.319
27 HA SER 4 HA SER 4 7.781 9.383 -5.148
28 HB2 SER 4 HB2 SER 4 8.646 6.510 -5.506
29 HB3 SER 4 HB1 SER 4 7.363 7.352 -6.380
30 HG SER 4 HG SER 4 8.851 8.635 -7.352
31 HA PRO 5 HA PRO 5 6.052 8.111 -1.109
32 HB2 PRO 5 HB2 PRO 5 3.469 8.861 -1.645
33 HB3 PRO 5 HB1 PRO 5 4.734 9.982 -1.126
34 HG2 PRO 5 HG2 PRO 5 3.764 9.376 -3.889
35 HG3 PRO 5 HG1 PRO 5 4.088 10.952 -3.149
36 HD2 PRO 5 HD2 PRO 5 5.838 9.850 -4.812
37 HD3 PRO 5 HD1 PRO 5 6.400 10.704 -3.359
38 H ARG 6 H ARG 6 5.111 6.933 -4.196
39 HA ARG 6 HA ARG 6 3.160 5.005 -3.566
40 HB2 ARG 6 HB2 ARG 6 3.819 3.846 -5.572
41 HB3 ARG 6 HB1 ARG 6 3.811 5.588 -5.869
42 HG2 ARG 6 HG2 ARG 6 6.262 5.585 -5.556
43 HG3 ARG 6 HG1 ARG 6 6.205 3.837 -5.378
44 HD2 ARG 6 HD2 ARG 6 5.229 3.693 -7.656
45 HD3 ARG 6 HD1 ARG 6 5.428 5.439 -7.801
46 HE ARG 6 HE ARG 6 7.675 3.622 -7.306
47 HH11 ARG 6 HH11 ARG 6 6.232 6.276 -9.173
48 HH12 ARG 6 HH12 ARG 6 7.673 6.683 -9.970
49 HH21 ARG 6 HH21 ARG 6 9.624 4.149 -8.416
50 HH22 ARG 6 HH22 ARG 6 9.680 5.428 -9.545
51 H THR 7 H THR 7 6.446 5.098 -2.799
52 HA THR 7 HA THR 7 7.085 2.394 -2.553
53 HB THR 7 HB THR 7 8.771 3.196 -0.829
54 HG1 THR 7 HG1 THR 7 8.180 5.800 -1.681
55 HG21 THR 7 HG21 THR 7 9.300 2.959 -3.216
56 HG22 THR 7 HG22 THR 7 10.123 4.351 -2.515
57 HG23 THR 7 HG23 THR 7 8.687 4.586 -3.513
58 H GLU 8 H GLU 8 5.260 4.499 -0.434
59 HA GLU 8 HA GLU 8 5.221 2.923 1.907
60 HB2 GLU 8 HB2 GLU 8 3.112 4.750 0.746
61 HB3 GLU 8 HB1 GLU 8 3.109 4.125 2.386
62 HG2 GLU 8 HG2 GLU 8 5.232 5.900 1.215
63 HG3 GLU 8 HG1 GLU 8 3.906 6.444 2.240
64 H TYR 9 H TYR 9 3.254 3.001 -0.991
65 HA TYR 9 HA TYR 9 1.310 1.126 -0.296
66 HB2 TYR 9 HB2 TYR 9 0.800 2.612 -2.018
67 HB3 TYR 9 HB1 TYR 9 2.376 2.452 -2.745
68 HD1 TYR 9 HD1 TYR 9 2.792 0.972 -4.357
69 HD2 TYR 9 HD2 TYR 9 -0.882 0.804 -2.344
70 HE1 TYR 9 HE1 TYR 9 1.975 -0.617 -6.066
71 HE2 TYR 9 HE2 TYR 9 -1.761 -0.800 -4.026
72 HH TYR 9 HH TYR 9 -1.288 -1.447 -6.353
73 H GLU 10 H GLU 10 4.314 0.960 -2.116
74 HA GLU 10 HA GLU 10 4.262 -1.773 -2.740
75 HB2 GLU 10 HB2 GLU 10 5.680 -0.106 -3.854
76 HB3 GLU 10 HB1 GLU 10 6.630 0.051 -2.387
77 HG2 GLU 10 HG2 GLU 10 7.269 -2.299 -2.568
78 HG3 GLU 10 HG1 GLU 10 6.354 -2.414 -4.071
79 H ALA 11 H ALA 11 5.776 -0.015 -0.040
80 HA ALA 11 HA ALA 11 7.069 -2.173 1.175
81 HB1 ALA 11 HB1 ALA 11 5.964 0.315 2.482
82 HB2 ALA 11 HB2 ALA 11 7.536 0.186 1.698
83 HB3 ALA 11 HB3 ALA 11 7.201 -0.749 3.154
84 H CYS 12 H CYS 12 3.852 -0.875 1.541
85 HA CYS 12 HA CYS 12 3.040 -2.530 3.666
86 HB2 CYS 12 HB2 CYS 12 1.943 -0.407 2.945
87 HB3 CYS 12 HB1 CYS 12 1.376 -1.233 1.504
88 H ARG 13 H ARG 13 2.915 -2.902 0.137
89 HA ARG 13 HA ARG 13 1.427 -5.298 0.016
90 HB2 ARG 13 HB2 ARG 13 3.430 -4.071 -1.869
91 HB3 ARG 13 HB1 ARG 13 2.628 -5.591 -2.218
92 HG2 ARG 13 HG2 ARG 13 0.490 -4.523 -2.275
93 HG3 ARG 13 HG1 ARG 13 1.184 -3.005 -1.699
94 HD2 ARG 13 HD2 ARG 13 0.753 -3.033 -4.149
95 HD3 ARG 13 HD1 ARG 13 2.435 -2.734 -3.734
96 HE ARG 13 HE ARG 13 2.391 -5.395 -4.128
97 HH11 ARG 13 HH11 ARG 13 1.052 -2.800 -6.231
98 HH12 ARG 13 HH12 ARG 13 1.527 -3.586 -7.647
99 HH21 ARG 13 HH21 ARG 13 2.946 -6.410 -6.083
100 HH22 ARG 13 HH22 ARG 13 2.583 -5.693 -7.588
101 H VAL 14 H VAL 14 4.936 -4.755 -0.008
102 HA VAL 14 HA VAL 14 5.565 -7.521 -0.158
103 HB VAL 14 HB VAL 14 6.992 -5.646 -0.907
104 HG11 VAL 14 HG11 VAL 14 7.689 -5.300 1.976
105 HG12 VAL 14 HG12 VAL 14 6.848 -4.166 0.925
106 HG13 VAL 14 3HG1 VAL 14 8.542 -4.559 0.615
107 HG21 VAL 14 HG21 VAL 14 8.298 -7.695 0.873
108 HG22 VAL 14 HG22 VAL 14 9.154 -6.719 -0.319
109 HG23 VAL 14 HG23 VAL 14 7.921 -7.866 -0.842
110 H ARG 15 H ARG 15 5.052 -5.358 2.410
111 HA ARG 15 HA ARG 15 6.011 -6.849 4.611
112 HB2 ARG 15 HB2 ARG 15 5.024 -4.525 4.737
113 HB3 ARG 15 HB1 ARG 15 3.436 -5.256 4.577
114 HG2 ARG 15 HG2 ARG 15 3.942 -6.572 6.662
115 HG3 ARG 15 HG1 ARG 15 5.383 -5.569 6.846
116 HD2 ARG 15 HD2 ARG 15 3.640 -4.614 8.174
117 HD3 ARG 15 HD1 ARG 15 3.914 -3.565 6.781
118 HE ARG 15 HE ARG 15 1.779 -5.563 6.814
119 HH11 ARG 15 HH11 ARG 15 2.767 -2.167 6.437
120 HH12 ARG 15 HH12 ARG 15 1.242 -1.646 5.887
121 HH21 ARG 15 HH21 ARG 15 -0.324 -4.813 6.132
122 HH22 ARG 15 HH22 ARG 15 -0.562 -3.190 5.720
123 H CYS 16 H CYS 16 2.869 -6.868 2.986
124 HA CYS 16 HA CYS 16 1.842 -9.036 4.454
125 HB2 CYS 16 HB2 CYS 16 1.000 -7.772 1.870
126 HB3 CYS 16 HB1 CYS 16 0.146 -9.136 2.582
127 H GLN 17 H GLN 17 3.937 -8.914 1.720
128 HA GLN 17 HA GLN 17 3.425 -11.506 0.724
129 HB2 GLN 17 HB2 GLN 17 4.699 -9.708 -0.485
130 HB3 GLN 17 HB1 GLN 17 6.027 -9.944 0.630
131 HG2 GLN 17 HG2 GLN 17 5.006 -12.119 -1.200
132 HG3 GLN 17 HG1 GLN 17 6.255 -10.977 -1.665
133 HE21 GLN 17 1HE2 GLN 17 6.339 -13.876 -1.430
134 HE22 GLN 17 2HE2 GLN 17 7.634 -14.223 -0.347
135 H VAL 18 H VAL 18 5.612 -10.274 3.189
136 HA VAL 18 HA VAL 18 6.532 -12.967 3.699
137 HB VAL 18 HB VAL 18 8.193 -11.160 3.732
138 HG11 VAL 18 HG11 VAL 18 6.770 -10.124 6.165
139 HG12 VAL 18 HG12 VAL 18 6.891 -9.334 4.594
140 HG13 VAL 18 3HG1 VAL 18 8.337 -9.563 5.579
141 HG21 VAL 18 HG21 VAL 18 7.873 -12.510 6.411
142 HG22 VAL 18 HG22 VAL 18 9.356 -11.759 5.823
143 HG23 VAL 18 HG23 VAL 18 8.693 -13.168 4.996
144 H ALA 19 H ALA 19 4.439 -10.643 5.271
145 HA ALA 19 HA ALA 19 4.233 -12.238 7.670
146 HB1 ALA 19 HB1 ALA 19 4.214 -9.795 7.801
147 HB2 ALA 19 HB2 ALA 19 2.743 -10.493 8.483
148 HB3 ALA 19 HB3 ALA 19 2.713 -9.763 6.879
149 H GLU 20 H GLU 20 1.902 -11.214 5.175
150 HA GLU 20 HA GLU 20 -0.174 -12.881 6.258
151 HB2 GLU 20 HB2 GLU 20 -0.026 -11.439 3.602
152 HB3 GLU 20 HB1 GLU 20 -1.450 -12.197 4.303
153 HG2 GLU 20 HG2 GLU 20 0.027 -9.948 5.617
154 HG3 GLU 20 HG1 GLU 20 -1.327 -9.708 4.515
155 H HIS 21 H HIS 21 1.572 -12.799 3.192
156 HA HIS 21 HA HIS 21 2.170 -14.301 1.684
157 HB2 HIS 21 HB2 HIS 21 3.630 -15.016 3.510
158 HB3 HIS 21 HB1 HIS 21 2.381 -16.105 4.094
159 HD1 HIS 21 HD1 HIS 21 3.086 -18.416 3.582
160 HD2 HIS 21 HD2 HIS 21 4.078 -15.787 0.535
161 HE1 HIS 21 HE1 HIS 21 4.188 -19.809 1.800
162 H GLY 22 H GLY 22 0.453 -14.516 0.378
163 HA2 GLY 22 HA2 GLY 22 -0.628 -16.954 -0.154
164 HA3 GLY 22 HA1 GLY 22 -1.776 -16.208 0.961
165 H VAL 23 H VAL 23 -2.233 -16.848 -1.814
166 HA VAL 23 HA VAL 23 -1.851 -14.637 -3.496
167 HB VAL 23 HB VAL 23 -3.956 -16.804 -3.687
168 HG11 VAL 23 HG11 VAL 23 -4.584 -14.884 -5.044
169 HG12 VAL 23 HG12 VAL 23 -4.075 -16.221 -6.075
170 HG13 VAL 23 3HG1 VAL 23 -2.986 -14.865 -5.788
171 HG21 VAL 23 HG21 VAL 23 -2.410 -17.842 -5.291
172 HG22 VAL 23 HG22 VAL 23 -1.688 -17.686 -3.690
173 HG23 VAL 23 HG23 VAL 23 -1.237 -16.565 -4.974
174 H GLU 24 H GLU 24 -4.814 -15.640 -1.805
175 HA GLU 24 HA GLU 24 -6.234 -13.302 -2.561
176 HB2 GLU 24 HB2 GLU 24 -7.955 -13.984 -0.988
177 HB3 GLU 24 HB1 GLU 24 -7.403 -15.371 -1.910
178 HG2 GLU 24 HG2 GLU 24 -6.083 -16.125 -0.016
179 HG3 GLU 24 HG1 GLU 24 -6.559 -14.698 0.902
180 H ARG 25 H ARG 25 -3.982 -13.943 -0.120
181 HA ARG 25 HA ARG 25 -4.762 -11.840 1.693
182 HB2 ARG 25 HB2 ARG 25 -2.122 -13.315 1.531
183 HB3 ARG 25 HB1 ARG 25 -2.729 -12.353 2.874
184 HG2 ARG 25 HG2 ARG 25 -3.934 -14.930 1.882
185 HG3 ARG 25 HG1 ARG 25 -2.919 -14.752 3.315
186 HD2 ARG 25 HD2 ARG 25 -4.567 -13.307 4.336
187 HD3 ARG 25 HD1 ARG 25 -5.556 -13.363 2.876
188 HE ARG 25 HE ARG 25 -5.110 -15.958 3.773
189 HH11 ARG 25 HH11 ARG 25 -6.894 -13.062 4.752
190 HH12 ARG 25 HH12 ARG 25 -8.113 -13.920 5.580
191 HH21 ARG 25 HH21 ARG 25 -6.830 -17.137 4.873
192 HH22 ARG 25 HH22 ARG 25 -8.070 -16.276 5.627
193 H GLN 26 H GLN 26 -2.284 -12.368 -0.758
194 HA GLN 26 HA GLN 26 -0.965 -9.912 -0.547
195 HB2 GLN 26 HB2 GLN 26 -0.188 -11.998 -1.747
196 HB3 GLN 26 HB1 GLN 26 -1.332 -11.608 -3.012
197 HG2 GLN 26 HG2 GLN 26 0.892 -10.907 -3.647
198 HG3 GLN 26 HG1 GLN 26 -0.168 -9.514 -3.433
199 HE21 GLN 26 1HE2 GLN 26 0.230 -8.086 -1.797
200 HE22 GLN 26 2HE2 GLN 26 1.688 -8.122 -0.848
201 H ARG 27 H ARG 27 -3.561 -11.060 -2.659
202 HA ARG 27 HA ARG 27 -4.062 -8.734 -4.105
203 HB2 ARG 27 HB2 ARG 27 -5.023 -10.922 -4.658
204 HB3 ARG 27 HB1 ARG 27 -6.005 -10.864 -3.204
205 HG2 ARG 27 HG2 ARG 27 -7.193 -8.914 -4.096
206 HG3 ARG 27 HG1 ARG 27 -6.228 -9.009 -5.570
207 HD2 ARG 27 HD2 ARG 27 -8.068 -11.157 -4.519
208 HD3 ARG 27 HD1 ARG 27 -8.418 -10.067 -5.860
209 HE ARG 27 HE ARG 27 -6.441 -11.072 -6.962
210 HH11 ARG 27 HH11 ARG 27 -8.312 -12.969 -4.591
211 HH12 ARG 27 HH12 ARG 27 -7.870 -14.468 -5.239
212 HH21 ARG 27 HH21 ARG 27 -5.852 -13.158 -7.839
213 HH22 ARG 27 HH22 ARG 27 -6.460 -14.586 -7.160
214 H ARG 28 H ARG 28 -5.458 -9.845 -1.030
215 HA ARG 28 HA ARG 28 -7.236 -7.756 -0.581
216 HB2 ARG 28 HB2 ARG 28 -7.186 -9.789 0.805
217 HB3 ARG 28 HB1 ARG 28 -5.640 -9.293 1.478
218 HG2 ARG 28 HG2 ARG 28 -7.379 -8.791 3.064
219 HG3 ARG 28 HG1 ARG 28 -6.733 -7.283 2.420
220 HD2 ARG 28 HD2 ARG 28 -9.143 -7.136 2.519
221 HD3 ARG 28 HD1 ARG 28 -8.635 -7.187 0.835
222 HE ARG 28 HE ARG 28 -9.159 -9.786 1.725
223 HH11 ARG 28 HH11 ARG 28 -10.863 -6.847 0.789
224 HH12 ARG 28 HH12 ARG 28 -12.347 -7.631 0.493
225 HH21 ARG 28 HH21 ARG 28 -11.167 -10.870 1.286
226 HH22 ARG 28 HH22 ARG 28 -12.515 -9.980 0.762
227 H CYS 29 H CYS 29 -3.895 -8.124 0.625
228 HA CYS 29 HA CYS 29 -3.749 -5.603 1.765
229 HB2 CYS 29 HB2 CYS 29 -1.649 -7.500 0.807
230 HB3 CYS 29 HB1 CYS 29 -1.243 -5.931 1.489
231 H GLN 30 H GLN 30 -3.121 -6.634 -1.530
232 HA GLN 30 HA GLN 30 -1.856 -4.307 -2.369
233 HB2 GLN 30 HB2 GLN 30 -1.884 -6.318 -3.709
234 HB3 GLN 30 HB1 GLN 30 -3.626 -6.220 -3.878
235 HG2 GLN 30 HG2 GLN 30 -3.461 -4.288 -5.246
236 HG3 GLN 30 HG1 GLN 30 -1.732 -4.145 -4.926
237 HE21 GLN 30 1HE2 GLN 30 -4.179 -5.940 -6.586
238 HE22 GLN 30 2HE2 GLN 30 -3.112 -6.772 -7.653
239 H GLN 31 H GLN 31 -5.302 -5.098 -2.234
240 HA GLN 31 HA GLN 31 -6.160 -2.590 -3.285
241 HB2 GLN 31 HB2 GLN 31 -7.543 -4.650 -3.331
242 HB3 GLN 31 HB1 GLN 31 -7.689 -4.564 -1.582
243 HG2 GLN 31 HG2 GLN 31 -8.794 -2.362 -1.832
244 HG3 GLN 31 HG1 GLN 31 -8.745 -2.579 -3.582
245 HE21 GLN 31 1HE2 GLN 31 -11.023 -2.284 -1.804
246 HE22 GLN 31 2HE2 GLN 31 -12.000 -3.678 -2.054
247 H VAL 32 H VAL 32 -5.865 -3.910 -0.010
248 HA VAL 32 HA VAL 32 -6.923 -1.660 1.334
249 HB VAL 32 HB VAL 32 -5.067 -3.822 2.387
250 HG11 VAL 32 HG11 VAL 32 -6.727 -1.828 3.938
251 HG12 VAL 32 HG12 VAL 32 -4.968 -1.826 3.821
252 HG13 VAL 32 3HG1 VAL 32 -5.796 -3.156 4.630
253 HG21 VAL 32 HG21 VAL 32 -7.122 -4.776 3.324
254 HG22 VAL 32 HG22 VAL 32 -7.197 -4.660 1.568
255 HG23 VAL 32 HG23 VAL 32 -8.057 -3.488 2.564
256 H CYS 33 H CYS 33 -3.581 -2.547 0.578
257 HA CYS 33 HA CYS 33 -2.515 -0.259 1.854
258 HB2 CYS 33 HB2 CYS 33 -1.257 -2.064 -0.213
259 HB3 CYS 33 HB1 CYS 33 -0.406 -0.863 0.758
260 H GLU 34 H GLU 34 -3.948 -0.803 -1.221
261 HA GLU 34 HA GLU 34 -2.835 1.556 -2.402
262 HB2 GLU 34 HB2 GLU 34 -3.696 -0.463 -3.689
263 HB3 GLU 34 HB1 GLU 34 -5.308 0.033 -3.226
264 HG2 GLU 34 HG2 GLU 34 -5.175 2.017 -4.502
265 HG3 GLU 34 HG1 GLU 34 -3.445 1.799 -4.775
266 H LYS 35 H LYS 35 -5.648 0.669 -0.545
267 HA LYS 35 HA LYS 35 -7.033 3.146 -0.722
268 HB2 LYS 35 HB2 LYS 35 -7.473 0.666 0.503
269 HB3 LYS 35 HB1 LYS 35 -7.285 1.764 1.855
270 HG2 LYS 35 HG2 LYS 35 -9.275 2.096 -0.394
271 HG3 LYS 35 HG1 LYS 35 -9.636 1.430 1.190
272 HD2 LYS 35 HD2 LYS 35 -8.607 4.229 0.712
273 HD3 LYS 35 HD1 LYS 35 -10.314 3.811 0.871
274 HE2 LYS 35 HE2 LYS 35 -9.839 2.922 3.131
275 HE3 LYS 35 HE1 LYS 35 -8.163 3.434 2.941
276 HZ1 LYS 35 HZ1 LYS 35 -10.519 5.250 2.912
277 HZ2 LYS 35 HZ2 LYS 35 -8.915 5.742 2.798
278 HZ3 LYS 35 HZ3 LYS 35 -9.489 5.011 4.208
279 H ARG 36 H ARG 36 -4.591 1.804 1.405
280 HA ARG 36 HA ARG 36 -4.250 3.983 3.153
281 HB2 ARG 36 HB2 ARG 36 -2.315 1.832 2.293
282 HB3 ARG 36 HB1 ARG 36 -1.957 3.004 3.551
283 HG2 ARG 36 HG2 ARG 36 -3.782 2.173 4.907
284 HG3 ARG 36 HG1 ARG 36 -4.273 1.083 3.614
285 HD2 ARG 36 HD2 ARG 36 -3.030 -0.026 5.415
286 HD3 ARG 36 HD1 ARG 36 -2.242 -0.180 3.848
287 HE ARG 36 HE ARG 36 -0.889 1.852 4.762
288 HH11 ARG 36 HH11 ARG 36 -1.929 -0.977 6.606
289 HH12 ARG 36 HH12 ARG 36 -0.631 -0.930 7.701
290 HH21 ARG 36 HH21 ARG 36 0.939 1.876 6.166
291 HH22 ARG 36 HH22 ARG 36 1.076 0.766 7.448
292 H LEU 37 H LEU 37 -2.683 3.173 0.115
293 HA LEU 37 HA LEU 37 -0.932 5.360 -0.025
294 HB2 LEU 37 HB2 LEU 37 -0.829 3.269 -1.367
295 HB3 LEU 37 HB1 LEU 37 -2.235 3.776 -2.241
296 HG LEU 37 HG LEU 37 0.007 4.008 -3.443
297 HD11 LEU 37 HD11 LEU 37 -1.740 6.439 -3.264
298 HD12 LEU 37 HD12 LEU 37 -1.972 5.024 -4.298
299 HD13 LEU 37 HD13 LEU 37 -0.578 6.077 -4.550
300 HD21 LEU 37 HD21 LEU 37 1.292 6.049 -3.001
301 HD22 LEU 37 HD22 LEU 37 1.308 4.957 -1.616
302 HD23 LEU 37 HD23 LEU 37 0.273 6.385 -1.603
303 H ARG 38 H ARG 38 -4.242 4.885 -1.057
304 HA ARG 38 HA ARG 38 -4.654 7.343 -2.334
305 HB2 ARG 38 HB2 ARG 38 -6.133 5.346 -2.505
306 HB3 ARG 38 HB1 ARG 38 -6.664 5.631 -0.858
307 HG2 ARG 38 HG2 ARG 38 -7.679 7.726 -1.518
308 HG3 ARG 38 HG1 ARG 38 -7.071 7.522 -3.162
309 HD2 ARG 38 HD2 ARG 38 -8.370 5.445 -3.364
310 HD3 ARG 38 HD1 ARG 38 -9.021 5.697 -1.755
311 HE ARG 38 HE ARG 38 -9.530 7.993 -3.216
312 HH11 ARG 38 HH11 ARG 38 -10.532 4.591 -3.283
313 HH12 ARG 38 HH12 ARG 38 -12.023 4.922 -4.034
314 HH21 ARG 38 HH21 ARG 38 -11.536 8.416 -4.221
315 HH22 ARG 38 HH22 ARG 38 -12.610 7.121 -4.586
316 H GLU 39 H GLU 39 -4.701 6.427 1.036
317 HA GLU 39 HA GLU 39 -5.705 8.940 2.002
318 HB2 GLU 39 HB2 GLU 39 -4.009 6.888 3.439
319 HB3 GLU 39 HB1 GLU 39 -4.880 8.209 4.193
320 HG2 GLU 39 HG2 GLU 39 -6.076 5.840 2.782
321 HG3 GLU 39 HG1 GLU 39 -6.040 6.127 4.520
322 H ARG 40 H ARG 40 -2.547 7.440 1.698
323 HA ARG 40 HA ARG 40 -0.859 9.383 2.737
324 HB2 ARG 40 HB2 ARG 40 -0.023 7.180 2.143
325 HB3 ARG 40 HB1 ARG 40 -0.427 7.440 0.456
326 HG2 ARG 40 HG2 ARG 40 1.947 7.616 0.747
327 HG3 ARG 40 HG1 ARG 40 1.294 9.199 0.343
328 HD2 ARG 40 HD2 ARG 40 2.886 9.543 2.064
329 HD3 ARG 40 HD1 ARG 40 1.306 9.692 2.830
330 HE ARG 40 HE ARG 40 2.358 7.048 2.962
331 HH11 ARG 40 HH11 ARG 40 2.240 10.169 4.671
332 HH12 ARG 40 HH12 ARG 40 3.005 9.561 6.057
333 HH21 ARG 40 HH21 ARG 40 3.527 6.277 4.887
334 HH22 ARG 40 HH22 ARG 40 3.744 7.377 6.175
335 H GLU 41 H GLU 41 -1.918 8.973 -0.590
336 HA GLU 41 HA GLU 41 -0.701 11.412 -1.430
337 HB2 GLU 41 HB2 GLU 41 -2.444 9.398 -2.805
338 HB3 GLU 41 HB1 GLU 41 -1.947 10.893 -3.586
339 HG2 GLU 41 HG2 GLU 41 -0.049 8.861 -2.443
340 HG3 GLU 41 HG1 GLU 41 -0.508 8.962 -4.145
341 H GLY 42 H GLY 42 -4.013 10.374 -0.697
342 HA2 GLY 42 HA2 GLY 42 -5.335 12.624 -1.726
343 HA3 GLY 42 HA1 GLY 42 -5.961 11.514 -0.518
344 H ARG 43 H ARG 43 -3.800 12.103 1.356
345 HA ARG 43 HA ARG 43 -4.940 14.363 2.642
346 HB2 ARG 43 HB2 ARG 43 -3.896 12.471 3.850
347 HB3 ARG 43 HB1 ARG 43 -2.331 12.951 3.218
348 HG2 ARG 43 HG2 ARG 43 -2.464 15.054 4.435
349 HG3 ARG 43 HG1 ARG 43 -4.058 14.605 5.048
350 HD2 ARG 43 HD2 ARG 43 -3.078 12.648 6.122
351 HD3 ARG 43 HD1 ARG 43 -1.481 13.132 5.548
352 HE ARG 43 HE ARG 43 -2.341 15.293 6.898
353 HH11 ARG 43 HH11 ARG 43 -2.030 11.874 7.761
354 HH12 ARG 43 HH12 ARG 43 -1.820 12.183 9.430
355 HH21 ARG 43 HH21 ARG 43 -2.035 15.691 9.190
356 HH22 ARG 43 HH22 ARG 43 -1.807 14.364 10.240
357 H ARG 44 H ARG 44 -2.438 13.947 0.358
358 HA ARG 44 HA ARG 44 -1.267 16.561 0.876
359 HB2 ARG 44 HB2 ARG 44 -0.550 14.396 -1.096
360 HB3 ARG 44 HB1 ARG 44 0.293 15.929 -0.966
361 HG2 ARG 44 HG2 ARG 44 0.084 13.864 1.206
362 HG3 ARG 44 HG1 ARG 44 1.472 14.110 0.143
363 HD2 ARG 44 HD2 ARG 44 1.776 16.347 1.008
364 HD3 ARG 44 HD1 ARG 44 0.349 16.174 2.031
365 HE ARG 44 HE ARG 44 1.937 14.089 2.703
366 HH11 ARG 44 HH11 ARG 44 2.448 17.577 2.592
367 HH12 ARG 44 HH12 ARG 44 3.469 17.619 3.957
368 HH21 ARG 44 HH21 ARG 44 3.340 14.111 4.542
369 HH22 ARG 44 HH22 ARG 44 3.970 15.587 5.099
370 H GLU 45 H GLU 45 -2.534 14.777 -1.927
371 HA GLU 45 HA GLU 45 -3.585 17.307 -2.960
372 HB2 GLU 45 HB2 GLU 45 -2.157 15.136 -4.496
373 HB3 GLU 45 HB1 GLU 45 -2.995 16.484 -5.231
374 HG2 GLU 45 HG2 GLU 45 -0.595 16.709 -3.423
375 HG3 GLU 45 HG1 GLU 45 -0.560 16.772 -5.184
376 H VAL 46 H VAL 46 -5.582 17.092 -3.881
377 HA VAL 46 HA VAL 46 -6.841 14.468 -3.694
378 HB VAL 46 HB VAL 46 -8.988 15.649 -4.207
379 HG11 VAL 46 HG11 VAL 46 -7.424 16.783 -1.895
380 HG12 VAL 46 HG12 VAL 46 -8.353 15.286 -1.901
381 HG13 VAL 46 3HG1 VAL 46 -9.176 16.837 -2.064
382 HG21 VAL 46 HG21 VAL 46 -9.051 18.113 -4.141
383 HG22 VAL 46 HG22 VAL 46 -8.116 17.513 -5.510
384 HG23 VAL 46 HG23 VAL 46 -7.287 18.147 -4.088
385 H ASP 47 H ASP 47 -5.018 15.925 -5.761
386 HA ASP 47 HA ASP 47 -6.392 15.464 -8.259
387 HB2 ASP 47 HB2 ASP 47 -4.746 17.316 -7.986
388 HB3 ASP 47 HB1 ASP 47 -3.485 16.118 -7.726
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 6.386 10.855 9.319
2 H3 PRO 1 HT2 PRO 1 6.141 11.976 10.457
3 HA PRO 1 HA PRO 1 7.916 13.031 10.180
4 HB2 PRO 1 HB2 PRO 1 9.672 11.126 8.922
5 HB3 PRO 1 HB1 PRO 1 9.909 12.048 10.410
6 HG2 PRO 1 HG2 PRO 1 9.008 9.294 10.110
7 HG3 PRO 1 HG1 PRO 1 9.506 10.153 11.573
8 HD2 PRO 1 HD2 PRO 1 6.915 9.383 11.045
9 HD3 PRO 1 HD1 PRO 1 7.346 10.721 12.115
10 H ARG 2 H ARG 2 7.770 10.461 7.620
11 HA ARG 2 HA ARG 2 7.411 12.663 5.726
12 HB2 ARG 2 HB2 ARG 2 8.843 10.046 5.286
13 HB3 ARG 2 HB1 ARG 2 8.477 11.198 4.017
14 HG2 ARG 2 HG2 ARG 2 9.885 12.860 5.106
15 HG3 ARG 2 HG1 ARG 2 10.236 11.718 6.404
16 HD2 ARG 2 HD2 ARG 2 10.891 11.335 3.489
17 HD3 ARG 2 HD1 ARG 2 12.040 11.791 4.739
18 HE ARG 2 HE ARG 2 10.573 9.312 5.129
19 HH11 ARG 2 HH11 ARG 2 13.660 10.845 4.291
20 HH12 ARG 2 HH12 ARG 2 14.522 9.369 4.279
21 HH21 ARG 2 HH21 ARG 2 11.781 7.311 5.113
22 HH22 ARG 2 HH22 ARG 2 13.442 7.339 4.785
23 H GLY 3 H GLY 3 6.179 12.105 3.803
24 HA2 GLY 3 HA2 GLY 3 4.331 9.872 4.259
25 HA3 GLY 3 HA1 GLY 3 3.753 11.452 3.739
26 H SER 4 H SER 4 6.309 9.175 2.802
27 HA SER 4 HA SER 4 6.075 9.879 0.052
28 HB2 SER 4 HB2 SER 4 7.488 7.528 1.323
29 HB3 SER 4 HB1 SER 4 7.799 8.225 -0.269
30 HG SER 4 HG SER 4 8.045 10.243 1.225
31 HA PRO 5 HA PRO 5 2.622 7.169 -0.553
32 HB2 PRO 5 HB2 PRO 5 2.487 7.320 -3.275
33 HB3 PRO 5 HB1 PRO 5 1.856 8.556 -2.185
34 HG2 PRO 5 HG2 PRO 5 4.419 8.505 -3.712
35 HG3 PRO 5 HG1 PRO 5 3.331 9.866 -3.393
36 HD2 PRO 5 HD2 PRO 5 5.642 9.467 -2.017
37 HD3 PRO 5 HD1 PRO 5 4.218 10.251 -1.311
38 H ARG 6 H ARG 6 5.356 6.666 -2.845
39 HA ARG 6 HA ARG 6 4.443 4.079 -3.531
40 HB2 ARG 6 HB2 ARG 6 7.101 5.376 -4.022
41 HB3 ARG 6 HB1 ARG 6 6.711 3.766 -4.580
42 HG2 ARG 6 HG2 ARG 6 4.796 4.716 -5.831
43 HG3 ARG 6 HG1 ARG 6 5.344 6.327 -5.355
44 HD2 ARG 6 HD2 ARG 6 6.147 5.770 -7.582
45 HD3 ARG 6 HD1 ARG 6 7.488 5.912 -6.451
46 HE ARG 6 HE ARG 6 6.853 3.264 -6.448
47 HH11 ARG 6 HH11 ARG 6 7.789 5.587 -8.946
48 HH12 ARG 6 HH12 ARG 6 8.564 4.452 -9.938
49 HH21 ARG 6 HH21 ARG 6 7.955 1.686 -7.779
50 HH22 ARG 6 HH22 ARG 6 8.672 2.156 -9.241
51 H THR 7 H THR 7 6.711 5.132 -1.085
52 HA THR 7 HA THR 7 7.876 2.599 -0.720
53 HB THR 7 HB THR 7 8.659 3.616 1.446
54 HG1 THR 7 HG1 THR 7 7.749 5.370 2.077
55 HG21 THR 7 HG21 THR 7 9.078 5.224 -1.081
56 HG22 THR 7 HG22 THR 7 9.986 3.789 -0.604
57 HG23 THR 7 HG23 THR 7 10.117 5.271 0.344
58 H GLU 8 H GLU 8 5.393 4.362 1.107
59 HA GLU 8 HA GLU 8 4.870 2.370 3.015
60 HB2 GLU 8 HB2 GLU 8 3.118 4.565 1.952
61 HB3 GLU 8 HB1 GLU 8 2.711 3.577 3.344
62 HG2 GLU 8 HG2 GLU 8 5.131 5.364 3.116
63 HG3 GLU 8 HG1 GLU 8 3.659 5.730 4.019
64 H TYR 9 H TYR 9 3.523 2.956 -0.186
65 HA TYR 9 HA TYR 9 1.401 1.184 -0.021
66 HB2 TYR 9 HB2 TYR 9 1.323 2.849 -1.645
67 HB3 TYR 9 HB1 TYR 9 2.968 2.546 -2.176
68 HD1 TYR 9 HD1 TYR 9 3.421 1.072 -3.777
69 HD2 TYR 9 HD2 TYR 9 -0.429 1.263 -2.209
70 HE1 TYR 9 HE1 TYR 9 2.668 -0.412 -5.632
71 HE2 TYR 9 HE2 TYR 9 -1.286 -0.200 -4.017
72 HH TYR 9 HH TYR 9 -0.736 -0.882 -6.211
73 H GLU 10 H GLU 10 4.671 0.899 -1.389
74 HA GLU 10 HA GLU 10 4.320 -1.773 -2.227
75 HB2 GLU 10 HB2 GLU 10 5.942 -0.117 -3.193
76 HB3 GLU 10 HB1 GLU 10 6.923 -0.314 -1.750
77 HG2 GLU 10 HG2 GLU 10 7.762 -1.627 -3.622
78 HG3 GLU 10 HG1 GLU 10 7.258 -2.661 -2.278
79 H ALA 11 H ALA 11 5.573 -0.275 0.698
80 HA ALA 11 HA ALA 11 6.749 -2.480 1.892
81 HB1 ALA 11 HB1 ALA 11 5.241 -0.261 3.263
82 HB2 ALA 11 HB2 ALA 11 6.931 -0.194 2.774
83 HB3 ALA 11 HB3 ALA 11 6.417 -1.337 4.017
84 H CYS 12 H CYS 12 3.401 -1.392 1.978
85 HA CYS 12 HA CYS 12 2.378 -3.304 3.720
86 HB2 CYS 12 HB2 CYS 12 1.048 -1.399 3.104
87 HB3 CYS 12 HB1 CYS 12 1.066 -1.872 1.408
88 H ARG 13 H ARG 13 2.942 -3.485 0.239
89 HA ARG 13 HA ARG 13 1.485 -5.905 -0.089
90 HB2 ARG 13 HB2 ARG 13 3.605 -4.815 -1.936
91 HB3 ARG 13 HB1 ARG 13 2.376 -6.007 -2.327
92 HG2 ARG 13 HG2 ARG 13 0.696 -4.167 -1.722
93 HG3 ARG 13 HG1 ARG 13 2.069 -3.072 -1.863
94 HD2 ARG 13 HD2 ARG 13 0.987 -4.913 -3.984
95 HD3 ARG 13 HD1 ARG 13 0.867 -3.162 -3.947
96 HE ARG 13 HE ARG 13 3.542 -3.597 -3.941
97 HH11 ARG 13 HH11 ARG 13 0.972 -4.982 -5.961
98 HH12 ARG 13 HH12 ARG 13 1.908 -4.956 -7.380
99 HH21 ARG 13 HH21 ARG 13 4.773 -3.528 -5.844
100 HH22 ARG 13 HH22 ARG 13 4.147 -4.138 -7.322
101 H VAL 14 H VAL 14 4.913 -5.144 0.198
102 HA VAL 14 HA VAL 14 5.770 -7.842 -0.029
103 HB VAL 14 HB VAL 14 7.208 -5.513 1.283
104 HG11 VAL 14 HG11 VAL 14 8.290 -8.131 0.226
105 HG12 VAL 14 HG12 VAL 14 8.167 -7.673 1.924
106 HG13 VAL 14 3HG1 VAL 14 9.260 -6.796 0.851
107 HG21 VAL 14 HG21 VAL 14 6.639 -5.025 -1.019
108 HG22 VAL 14 HG22 VAL 14 7.336 -6.562 -1.534
109 HG23 VAL 14 HG23 VAL 14 8.375 -5.305 -0.861
110 H ARG 15 H ARG 15 4.909 -5.783 2.698
111 HA ARG 15 HA ARG 15 5.684 -7.396 4.825
112 HB2 ARG 15 HB2 ARG 15 4.600 -5.002 4.777
113 HB3 ARG 15 HB1 ARG 15 3.081 -5.866 4.819
114 HG2 ARG 15 HG2 ARG 15 5.233 -6.113 6.921
115 HG3 ARG 15 HG1 ARG 15 3.862 -5.020 7.029
116 HD2 ARG 15 HD2 ARG 15 3.702 -8.032 6.858
117 HD3 ARG 15 HD1 ARG 15 3.568 -7.085 8.338
118 HE ARG 15 HE ARG 15 1.681 -6.262 6.370
119 HH11 ARG 15 HH11 ARG 15 2.251 -8.675 8.894
120 HH12 ARG 15 HH12 ARG 15 0.616 -9.038 9.135
121 HH21 ARG 15 HH21 ARG 15 -0.566 -6.723 6.691
122 HH22 ARG 15 HH22 ARG 15 -1.069 -7.858 7.850
123 H CYS 16 H CYS 16 2.586 -7.307 3.080
124 HA CYS 16 HA CYS 16 1.661 -9.594 4.468
125 HB2 CYS 16 HB2 CYS 16 0.559 -8.163 2.061
126 HB3 CYS 16 HB1 CYS 16 -0.241 -9.533 2.835
127 H GLN 17 H GLN 17 3.489 -9.186 1.575
128 HA GLN 17 HA GLN 17 2.907 -11.702 0.450
129 HB2 GLN 17 HB2 GLN 17 3.919 -9.829 -0.817
130 HB3 GLN 17 HB1 GLN 17 5.393 -10.011 0.121
131 HG2 GLN 17 HG2 GLN 17 5.742 -12.214 -0.791
132 HG3 GLN 17 HG1 GLN 17 4.224 -12.113 -1.683
133 HE21 GLN 17 1HE2 GLN 17 4.699 -9.282 -2.400
134 HE22 GLN 17 2HE2 GLN 17 5.895 -9.329 -3.623
135 H VAL 18 H VAL 18 5.320 -10.600 2.767
136 HA VAL 18 HA VAL 18 6.343 -13.312 2.929
137 HB VAL 18 HB VAL 18 8.019 -11.525 2.822
138 HG11 VAL 18 HG11 VAL 18 8.433 -10.019 4.716
139 HG12 VAL 18 HG12 VAL 18 6.932 -10.579 5.461
140 HG13 VAL 18 3HG1 VAL 18 6.885 -9.720 3.924
141 HG21 VAL 18 HG21 VAL 18 8.654 -13.589 3.926
142 HG22 VAL 18 HG22 VAL 18 8.041 -12.981 5.463
143 HG23 VAL 18 HG23 VAL 18 9.443 -12.219 4.711
144 H ALA 19 H ALA 19 4.644 -11.010 5.058
145 HA ALA 19 HA ALA 19 4.829 -12.783 7.288
146 HB1 ALA 19 HB1 ALA 19 3.066 -10.364 6.971
147 HB2 ALA 19 HB2 ALA 19 4.714 -10.349 7.598
148 HB3 ALA 19 HB3 ALA 19 3.441 -11.197 8.478
149 H GLU 20 H GLU 20 2.219 -11.885 5.084
150 HA GLU 20 HA GLU 20 0.411 -13.734 6.354
151 HB2 GLU 20 HB2 GLU 20 0.145 -12.267 3.711
152 HB3 GLU 20 HB1 GLU 20 -1.140 -13.136 4.528
153 HG2 GLU 20 HG2 GLU 20 0.253 -10.682 5.585
154 HG3 GLU 20 HG1 GLU 20 -1.307 -10.680 4.787
155 H HIS 21 H HIS 21 1.999 -13.414 3.229
156 HA HIS 21 HA HIS 21 2.684 -14.830 1.651
157 HB2 HIS 21 HB2 HIS 21 4.026 -15.923 3.441
158 HB3 HIS 21 HB1 HIS 21 2.647 -16.938 3.842
159 HD1 HIS 21 HD1 HIS 21 2.366 -19.094 2.467
160 HD2 HIS 21 HD2 HIS 21 5.270 -16.534 0.974
161 HE1 HIS 21 HE1 HIS 21 3.552 -20.372 0.666
162 H GLY 22 H GLY 22 0.934 -14.635 0.414
163 HA2 GLY 22 HA2 GLY 22 -0.422 -16.765 -0.456
164 HA3 GLY 22 HA1 GLY 22 -1.431 -16.173 0.866
165 H VAL 23 H VAL 23 -1.305 -16.130 -2.260
166 HA VAL 23 HA VAL 23 -1.178 -13.544 -3.225
167 HB VAL 23 HB VAL 23 -3.047 -15.722 -4.214
168 HG11 VAL 23 HG11 VAL 23 -3.636 -13.551 -5.133
169 HG12 VAL 23 HG12 VAL 23 -2.919 -14.576 -6.378
170 HG13 VAL 23 3HG1 VAL 23 -1.966 -13.293 -5.635
171 HG21 VAL 23 HG21 VAL 23 -1.265 -16.261 -5.805
172 HG22 VAL 23 HG22 VAL 23 -0.737 -16.487 -4.137
173 HG23 VAL 23 HG23 VAL 23 -0.223 -15.064 -5.038
174 H GLU 24 H GLU 24 -3.962 -15.218 -1.838
175 HA GLU 24 HA GLU 24 -5.866 -13.264 -2.368
176 HB2 GLU 24 HB2 GLU 24 -7.238 -14.262 -0.582
177 HB3 GLU 24 HB1 GLU 24 -6.542 -15.488 -1.626
178 HG2 GLU 24 HG2 GLU 24 -4.910 -16.048 0.063
179 HG3 GLU 24 HG1 GLU 24 -5.453 -14.708 1.065
180 H ARG 25 H ARG 25 -3.851 -13.634 0.542
181 HA ARG 25 HA ARG 25 -4.998 -11.306 1.728
182 HB2 ARG 25 HB2 ARG 25 -2.606 -12.934 2.554
183 HB3 ARG 25 HB1 ARG 25 -3.184 -11.538 3.450
184 HG2 ARG 25 HG2 ARG 25 -5.383 -12.699 3.694
185 HG3 ARG 25 HG1 ARG 25 -4.639 -14.126 2.971
186 HD2 ARG 25 HD2 ARG 25 -2.987 -14.188 4.755
187 HD3 ARG 25 HD1 ARG 25 -3.672 -12.725 5.451
188 HE ARG 25 HE ARG 25 -5.370 -15.060 5.141
189 HH11 ARG 25 HH11 ARG 25 -3.594 -12.846 7.305
190 HH12 ARG 25 HH12 ARG 25 -4.311 -13.450 8.727
191 HH21 ARG 25 HH21 ARG 25 -6.366 -15.854 7.108
192 HH22 ARG 25 HH22 ARG 25 -5.958 -15.189 8.616
193 H GLN 26 H GLN 26 -2.114 -11.973 -0.095
194 HA GLN 26 HA GLN 26 -0.819 -9.508 0.207
195 HB2 GLN 26 HB2 GLN 26 0.342 -11.315 -0.814
196 HB3 GLN 26 HB1 GLN 26 -0.908 -11.534 -2.021
197 HG2 GLN 26 HG2 GLN 26 -0.239 -9.461 -3.107
198 HG3 GLN 26 HG1 GLN 26 0.976 -9.187 -1.858
199 HE21 GLN 26 1HE2 GLN 26 2.580 -9.180 -3.540
200 HE22 GLN 26 2HE2 GLN 26 3.125 -10.666 -4.206
201 H ARG 27 H ARG 27 -3.269 -10.583 -2.095
202 HA ARG 27 HA ARG 27 -3.522 -8.152 -3.494
203 HB2 ARG 27 HB2 ARG 27 -4.292 -10.392 -4.283
204 HB3 ARG 27 HB1 ARG 27 -5.581 -10.318 -3.097
205 HG2 ARG 27 HG2 ARG 27 -6.488 -8.342 -4.200
206 HG3 ARG 27 HG1 ARG 27 -5.202 -8.431 -5.408
207 HD2 ARG 27 HD2 ARG 27 -5.966 -10.690 -6.012
208 HD3 ARG 27 HD1 ARG 27 -7.285 -10.530 -4.862
209 HE ARG 27 HE ARG 27 -7.188 -8.452 -6.830
210 HH11 ARG 27 HH11 ARG 27 -8.417 -11.711 -6.115
211 HH12 ARG 27 HH12 ARG 27 -9.674 -11.633 -7.252
212 HH21 ARG 27 HH21 ARG 27 -8.925 -8.365 -8.419
213 HH22 ARG 27 HH22 ARG 27 -9.952 -9.722 -8.584
214 H ARG 28 H ARG 28 -5.296 -9.562 -0.765
215 HA ARG 28 HA ARG 28 -7.196 -7.546 -0.369
216 HB2 ARG 28 HB2 ARG 28 -5.865 -9.342 1.656
217 HB3 ARG 28 HB1 ARG 28 -7.191 -8.275 2.060
218 HG2 ARG 28 HG2 ARG 28 -7.290 -10.522 0.063
219 HG3 ARG 28 HG1 ARG 28 -7.937 -10.565 1.703
220 HD2 ARG 28 HD2 ARG 28 -9.480 -8.767 1.151
221 HD3 ARG 28 HD1 ARG 28 -8.816 -8.676 -0.479
222 HE ARG 28 HE ARG 28 -9.559 -11.243 -0.218
223 HH11 ARG 28 HH11 ARG 28 -11.253 -8.184 0.206
224 HH12 ARG 28 HH12 ARG 28 -12.756 -8.783 -0.329
225 HH21 ARG 28 HH21 ARG 28 -11.582 -12.068 -0.922
226 HH22 ARG 28 HH22 ARG 28 -12.960 -11.062 -0.971
227 H CYS 29 H CYS 29 -3.966 -7.834 1.052
228 HA CYS 29 HA CYS 29 -4.038 -5.445 2.464
229 HB2 CYS 29 HB2 CYS 29 -1.750 -7.080 1.358
230 HB3 CYS 29 HB1 CYS 29 -1.502 -5.639 2.341
231 H GLN 30 H GLN 30 -2.790 -6.162 -0.829
232 HA GLN 30 HA GLN 30 -1.910 -3.580 -1.365
233 HB2 GLN 30 HB2 GLN 30 -1.235 -5.383 -2.819
234 HB3 GLN 30 HB1 GLN 30 -2.905 -5.684 -3.292
235 HG2 GLN 30 HG2 GLN 30 -3.017 -3.525 -4.396
236 HG3 GLN 30 HG1 GLN 30 -1.387 -3.141 -3.865
237 HE21 GLN 30 1HE2 GLN 30 -2.591 -3.349 -6.533
238 HE22 GLN 30 2HE2 GLN 30 -1.590 -4.464 -7.391
239 H GLN 31 H GLN 31 -5.073 -5.039 -1.972
240 HA GLN 31 HA GLN 31 -6.294 -3.029 -3.420
241 HB2 GLN 31 HB2 GLN 31 -7.258 -5.267 -2.855
242 HB3 GLN 31 HB1 GLN 31 -7.596 -4.659 -1.243
243 HG2 GLN 31 HG2 GLN 31 -9.015 -2.894 -2.270
244 HG3 GLN 31 HG1 GLN 31 -8.779 -3.681 -3.830
245 HE21 GLN 31 1HE2 GLN 31 -11.214 -3.257 -2.384
246 HE22 GLN 31 2HE2 GLN 31 -11.912 -4.812 -2.108
247 H VAL 32 H VAL 32 -6.227 -3.420 0.094
248 HA VAL 32 HA VAL 32 -7.619 -0.992 0.597
249 HB VAL 32 HB VAL 32 -6.045 -2.775 2.473
250 HG11 VAL 32 HG11 VAL 32 -7.921 -0.496 3.115
251 HG12 VAL 32 HG12 VAL 32 -6.175 -0.505 3.381
252 HG13 VAL 32 3HG1 VAL 32 -7.213 -1.614 4.281
253 HG21 VAL 32 HG21 VAL 32 -8.244 -3.522 3.187
254 HG22 VAL 32 HG22 VAL 32 -7.993 -3.818 1.463
255 HG23 VAL 32 HG23 VAL 32 -9.000 -2.469 1.991
256 H CYS 33 H CYS 33 -4.190 -1.919 0.920
257 HA CYS 33 HA CYS 33 -3.374 0.597 1.852
258 HB2 CYS 33 HB2 CYS 33 -1.790 -1.577 0.479
259 HB3 CYS 33 HB1 CYS 33 -1.066 -0.174 1.260
260 H GLU 34 H GLU 34 -3.859 -0.581 -1.420
261 HA GLU 34 HA GLU 34 -2.634 1.684 -2.641
262 HB2 GLU 34 HB2 GLU 34 -3.082 -0.607 -3.764
263 HB3 GLU 34 HB1 GLU 34 -4.737 -0.087 -3.845
264 HG2 GLU 34 HG2 GLU 34 -4.272 1.728 -5.272
265 HG3 GLU 34 HG1 GLU 34 -2.535 1.547 -5.046
266 H LYS 35 H LYS 35 -5.939 0.763 -1.650
267 HA LYS 35 HA LYS 35 -7.252 2.872 -2.824
268 HB2 LYS 35 HB2 LYS 35 -8.225 0.797 -1.754
269 HB3 LYS 35 HB1 LYS 35 -7.965 1.595 -0.208
270 HG2 LYS 35 HG2 LYS 35 -9.360 3.426 -0.892
271 HG3 LYS 35 HG1 LYS 35 -9.591 2.667 -2.465
272 HD2 LYS 35 HD2 LYS 35 -10.480 0.673 -1.167
273 HD3 LYS 35 HD1 LYS 35 -10.573 1.782 0.208
274 HE2 LYS 35 HE2 LYS 35 -11.710 2.255 -2.471
275 HE3 LYS 35 HE1 LYS 35 -12.657 1.626 -1.111
276 HZ1 LYS 35 HZ1 LYS 35 -11.319 4.317 -1.263
277 HZ2 LYS 35 HZ2 LYS 35 -12.201 3.729 0.059
278 HZ3 LYS 35 HZ3 LYS 35 -12.974 4.031 -1.398
279 H ARG 36 H ARG 36 -6.001 2.501 0.481
280 HA ARG 36 HA ARG 36 -6.755 5.044 1.410
281 HB2 ARG 36 HB2 ARG 36 -4.334 3.462 2.296
282 HB3 ARG 36 HB1 ARG 36 -5.130 4.747 3.192
283 HG2 ARG 36 HG2 ARG 36 -7.153 3.339 3.340
284 HG3 ARG 36 HG1 ARG 36 -6.273 2.040 2.535
285 HD2 ARG 36 HD2 ARG 36 -5.677 3.282 5.220
286 HD3 ARG 36 HD1 ARG 36 -6.237 1.644 4.898
287 HE ARG 36 HE ARG 36 -3.638 2.552 3.890
288 HH11 ARG 36 HH11 ARG 36 -5.493 0.253 5.930
289 HH12 ARG 36 HH12 ARG 36 -4.117 -0.640 6.350
290 HH21 ARG 36 HH21 ARG 36 -1.749 1.253 4.537
291 HH22 ARG 36 HH22 ARG 36 -1.998 -0.079 5.539
292 H LEU 37 H LEU 37 -3.914 3.945 -0.251
293 HA LEU 37 HA LEU 37 -2.318 6.247 -0.141
294 HB2 LEU 37 HB2 LEU 37 -1.810 3.821 -0.905
295 HB3 LEU 37 HB1 LEU 37 -2.508 4.278 -2.430
296 HG LEU 37 HG LEU 37 -0.063 4.239 -2.454
297 HD11 LEU 37 HD11 LEU 37 -1.154 5.669 -4.026
298 HD12 LEU 37 HD12 LEU 37 0.362 6.390 -3.481
299 HD13 LEU 37 HD13 LEU 37 -1.181 6.995 -2.860
300 HD21 LEU 37 HD21 LEU 37 1.214 5.907 -1.260
301 HD22 LEU 37 HD22 LEU 37 0.342 4.847 -0.153
302 HD23 LEU 37 HD23 LEU 37 -0.246 6.483 -0.460
303 H ARG 38 H ARG 38 -4.578 5.028 -2.568
304 HA ARG 38 HA ARG 38 -4.525 7.150 -4.368
305 HB2 ARG 38 HB2 ARG 38 -5.385 4.873 -4.815
306 HB3 ARG 38 HB1 ARG 38 -6.775 5.228 -3.806
307 HG2 ARG 38 HG2 ARG 38 -7.439 7.000 -5.355
308 HG3 ARG 38 HG1 ARG 38 -6.046 6.625 -6.371
309 HD2 ARG 38 HD2 ARG 38 -8.381 4.838 -5.739
310 HD3 ARG 38 HD1 ARG 38 -7.971 5.535 -7.298
311 HE ARG 38 HE ARG 38 -6.681 3.321 -5.942
312 HH11 ARG 38 HH11 ARG 38 -6.852 5.398 -8.793
313 HH12 ARG 38 HH12 ARG 38 -5.831 4.444 -9.760
314 HH21 ARG 38 HH21 ARG 38 -5.257 1.928 -7.310
315 HH22 ARG 38 HH22 ARG 38 -4.893 2.449 -8.866
316 H GLU 39 H GLU 39 -6.565 6.577 -1.542
317 HA GLU 39 HA GLU 39 -8.438 8.631 -1.923
318 HB2 GLU 39 HB2 GLU 39 -7.312 7.686 0.717
319 HB3 GLU 39 HB1 GLU 39 -8.806 8.572 0.501
320 HG2 GLU 39 HG2 GLU 39 -8.220 5.757 -0.373
321 HG3 GLU 39 HG1 GLU 39 -9.263 6.265 0.950
322 H ARG 40 H ARG 40 -5.301 8.663 -0.358
323 HA ARG 40 HA ARG 40 -5.487 11.373 0.495
324 HB2 ARG 40 HB2 ARG 40 -4.130 9.747 1.680
325 HB3 ARG 40 HB1 ARG 40 -3.113 9.531 0.273
326 HG2 ARG 40 HG2 ARG 40 -2.317 11.832 0.495
327 HG3 ARG 40 HG1 ARG 40 -3.378 12.069 1.886
328 HD2 ARG 40 HD2 ARG 40 -1.120 10.082 1.679
329 HD3 ARG 40 HD1 ARG 40 -1.107 11.581 2.609
330 HE ARG 40 HE ARG 40 -3.060 10.553 3.823
331 HH11 ARG 40 HH11 ARG 40 -0.428 8.602 2.479
332 HH12 ARG 40 HH12 ARG 40 -0.573 7.350 3.618
333 HH21 ARG 40 HH21 ARG 40 -3.267 8.825 5.403
334 HH22 ARG 40 HH22 ARG 40 -2.237 7.475 5.339
335 H GLU 41 H GLU 41 -4.456 9.829 -2.401
336 HA GLU 41 HA GLU 41 -3.143 12.195 -3.424
337 HB2 GLU 41 HB2 GLU 41 -4.000 9.675 -4.858
338 HB3 GLU 41 HB1 GLU 41 -2.951 10.920 -5.518
339 HG2 GLU 41 HG2 GLU 41 -2.338 9.150 -3.162
340 HG3 GLU 41 HG1 GLU 41 -1.704 8.953 -4.789
341 H GLY 42 H GLY 42 -6.188 10.461 -3.901
342 HA2 GLY 42 HA2 GLY 42 -7.229 12.018 -5.995
343 HA3 GLY 42 HA1 GLY 42 -8.134 10.947 -4.942
344 H ARG 43 H ARG 43 -7.282 12.482 -2.554
345 HA ARG 43 HA ARG 43 -9.374 14.396 -2.552
346 HB2 ARG 43 HB2 ARG 43 -8.600 15.032 -0.299
347 HB3 ARG 43 HB1 ARG 43 -8.733 13.290 -0.474
348 HG2 ARG 43 HG2 ARG 43 -6.299 13.165 -0.807
349 HG3 ARG 43 HG1 ARG 43 -6.199 14.907 -0.564
350 HD2 ARG 43 HD2 ARG 43 -7.273 12.939 1.454
351 HD3 ARG 43 HD1 ARG 43 -5.635 13.590 1.465
352 HE ARG 43 HE ARG 43 -7.510 15.685 1.431
353 HH11 ARG 43 HH11 ARG 43 -6.258 13.217 3.638
354 HH12 ARG 43 HH12 ARG 43 -6.538 14.155 5.037
355 HH21 ARG 43 HH21 ARG 43 -7.882 16.942 3.373
356 HH22 ARG 43 HH22 ARG 43 -7.429 16.290 4.885
357 H ARG 44 H ARG 44 -6.217 14.574 -3.748
358 HA ARG 44 HA ARG 44 -6.214 17.501 -3.606
359 HB2 ARG 44 HB2 ARG 44 -3.993 15.685 -4.549
360 HB3 ARG 44 HB1 ARG 44 -3.884 17.407 -4.230
361 HG2 ARG 44 HG2 ARG 44 -4.326 16.939 -1.836
362 HG3 ARG 44 HG1 ARG 44 -4.282 15.214 -2.207
363 HD2 ARG 44 HD2 ARG 44 -2.052 17.224 -2.395
364 HD3 ARG 44 HD1 ARG 44 -2.119 15.756 -1.421
365 HE ARG 44 HE ARG 44 -1.684 15.945 -4.302
366 HH11 ARG 44 HH11 ARG 44 -1.742 13.866 -1.414
367 HH12 ARG 44 HH12 ARG 44 -1.014 12.549 -2.224
368 HH21 ARG 44 HH21 ARG 44 -0.677 14.200 -5.323
369 HH22 ARG 44 HH22 ARG 44 -0.381 12.727 -4.492
370 H GLU 45 H GLU 45 -7.626 15.340 -5.379
371 HA GLU 45 HA GLU 45 -7.033 16.630 -7.936
372 HB2 GLU 45 HB2 GLU 45 -7.973 13.820 -7.350
373 HB3 GLU 45 HB1 GLU 45 -7.992 14.533 -8.950
374 HG2 GLU 45 HG2 GLU 45 -5.540 14.787 -8.838
375 HG3 GLU 45 HG1 GLU 45 -5.556 14.012 -7.253
376 H VAL 46 H VAL 46 -8.731 17.479 -9.003
377 HA VAL 46 HA VAL 46 -10.719 18.396 -9.414
378 HB VAL 46 HB VAL 46 -11.932 16.105 -7.820
379 HG11 VAL 46 HG11 VAL 46 -13.222 17.974 -9.809
380 HG12 VAL 46 HG12 VAL 46 -13.494 17.955 -8.067
381 HG13 VAL 46 3HG1 VAL 46 -14.002 16.583 -9.053
382 HG21 VAL 46 HG21 VAL 46 -10.616 15.285 -9.707
383 HG22 VAL 46 HG22 VAL 46 -11.481 16.366 -10.798
384 HG23 VAL 46 HG23 VAL 46 -12.338 15.044 -10.004
385 H ASP 47 H ASP 47 -10.541 20.289 -8.445
386 HA ASP 47 HA ASP 47 -11.519 20.480 -5.682
387 HB2 ASP 47 HB2 ASP 47 -9.501 22.312 -7.006
388 HB3 ASP 47 HB1 ASP 47 -10.130 22.475 -5.379
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 11.285 16.827 4.924
2 H3 PRO 1 HT2 PRO 1 11.177 18.209 4.075
3 HA PRO 1 HA PRO 1 11.935 17.250 2.405
4 HB2 PRO 1 HB2 PRO 1 14.344 16.024 3.493
5 HB3 PRO 1 HB1 PRO 1 14.194 17.284 2.260
6 HG2 PRO 1 HG2 PRO 1 15.099 17.789 4.783
7 HG3 PRO 1 HG1 PRO 1 14.260 18.987 3.785
8 HD2 PRO 1 HD2 PRO 1 13.212 17.356 6.072
9 HD3 PRO 1 HD1 PRO 1 12.829 19.024 5.611
10 H ARG 2 H ARG 2 12.441 15.030 1.508
11 HA ARG 2 HA ARG 2 11.965 12.859 1.281
12 HB2 ARG 2 HB2 ARG 2 13.487 12.482 3.218
13 HB3 ARG 2 HB1 ARG 2 12.118 12.681 4.301
14 HG2 ARG 2 HG2 ARG 2 11.044 10.731 3.207
15 HG3 ARG 2 HG1 ARG 2 12.528 10.485 2.285
16 HD2 ARG 2 HD2 ARG 2 12.568 9.026 4.178
17 HD3 ARG 2 HD1 ARG 2 13.751 10.304 4.439
18 HE ARG 2 HE ARG 2 11.408 11.163 5.597
19 HH11 ARG 2 HH11 ARG 2 13.668 8.481 6.087
20 HH12 ARG 2 HH12 ARG 2 13.301 8.286 7.736
21 HH21 ARG 2 HH21 ARG 2 10.914 10.882 7.905
22 HH22 ARG 2 HH22 ARG 2 11.736 9.676 8.781
23 H GLY 3 H GLY 3 10.002 12.701 0.478
24 HA2 GLY 3 HA2 GLY 3 7.817 12.188 2.291
25 HA3 GLY 3 HA1 GLY 3 7.647 13.624 1.290
26 H SER 4 H SER 4 8.553 10.203 0.942
27 HA SER 4 HA SER 4 7.032 10.245 -1.544
28 HB2 SER 4 HB2 SER 4 9.224 8.348 -0.675
29 HB3 SER 4 HB1 SER 4 8.417 8.357 -2.244
30 HG SER 4 HG SER 4 9.174 10.717 -2.163
31 HA PRO 5 HA PRO 5 4.188 8.013 1.258
32 HB2 PRO 5 HB2 PRO 5 2.238 7.692 -0.684
33 HB3 PRO 5 HB1 PRO 5 2.375 9.090 0.382
34 HG2 PRO 5 HG2 PRO 5 3.311 8.753 -2.435
35 HG3 PRO 5 HG1 PRO 5 2.557 10.161 -1.667
36 HD2 PRO 5 HD2 PRO 5 5.171 10.075 -2.127
37 HD3 PRO 5 HD1 PRO 5 4.537 10.819 -0.645
38 H ARG 6 H ARG 6 5.428 7.025 -1.813
39 HA ARG 6 HA ARG 6 4.434 4.438 -1.999
40 HB2 ARG 6 HB2 ARG 6 5.608 5.405 -3.860
41 HB3 ARG 6 HB1 ARG 6 7.097 5.505 -2.928
42 HG2 ARG 6 HG2 ARG 6 7.199 3.072 -2.828
43 HG3 ARG 6 HG1 ARG 6 5.695 2.968 -3.737
44 HD2 ARG 6 HD2 ARG 6 6.719 3.997 -5.629
45 HD3 ARG 6 HD1 ARG 6 8.226 4.253 -4.738
46 HE ARG 6 HE ARG 6 7.988 1.647 -4.517
47 HH11 ARG 6 HH11 ARG 6 7.429 3.621 -7.404
48 HH12 ARG 6 HH12 ARG 6 7.899 2.399 -8.485
49 HH21 ARG 6 HH21 ARG 6 8.620 0.029 -5.937
50 HH22 ARG 6 HH22 ARG 6 8.616 0.272 -7.635
51 H THR 7 H THR 7 7.039 5.667 0.027
52 HA THR 7 HA THR 7 8.269 3.197 0.526
53 HB THR 7 HB THR 7 9.092 4.302 2.657
54 HG1 THR 7 HG1 THR 7 8.101 6.743 1.664
55 HG21 THR 7 HG21 THR 7 10.369 4.391 0.567
56 HG22 THR 7 HG22 THR 7 10.529 5.895 1.468
57 HG23 THR 7 HG23 THR 7 9.459 5.818 0.066
58 H GLU 8 H GLU 8 5.678 4.849 2.207
59 HA GLU 8 HA GLU 8 5.229 3.002 4.302
60 HB2 GLU 8 HB2 GLU 8 4.402 5.369 4.148
61 HB3 GLU 8 HB1 GLU 8 3.260 4.839 2.925
62 HG2 GLU 8 HG2 GLU 8 2.134 5.019 5.024
63 HG3 GLU 8 HG1 GLU 8 2.263 3.310 4.600
64 H TYR 9 H TYR 9 3.797 3.493 1.123
65 HA TYR 9 HA TYR 9 1.807 1.576 1.182
66 HB2 TYR 9 HB2 TYR 9 1.569 3.310 -0.278
67 HB3 TYR 9 HB1 TYR 9 3.244 3.261 -0.774
68 HD1 TYR 9 HD1 TYR 9 3.839 2.271 -2.668
69 HD2 TYR 9 HD2 TYR 9 0.033 1.484 -1.096
70 HE1 TYR 9 HE1 TYR 9 3.226 1.171 -4.800
71 HE2 TYR 9 HE2 TYR 9 -0.650 0.394 -3.176
72 HH TYR 9 HH TYR 9 -0.068 0.310 -5.468
73 H GLU 10 H GLU 10 5.045 1.512 -0.270
74 HA GLU 10 HA GLU 10 4.879 -1.090 -1.265
75 HB2 GLU 10 HB2 GLU 10 6.501 0.714 -1.939
76 HB3 GLU 10 HB1 GLU 10 7.367 0.402 -0.447
77 HG2 GLU 10 HG2 GLU 10 7.914 -1.816 -1.155
78 HG3 GLU 10 HG1 GLU 10 6.898 -1.655 -2.591
79 H ALA 11 H ALA 11 6.048 0.208 1.830
80 HA ALA 11 HA ALA 11 7.037 -2.240 2.837
81 HB1 ALA 11 HB1 ALA 11 7.618 -0.085 3.853
82 HB2 ALA 11 HB2 ALA 11 6.910 -1.172 5.048
83 HB3 ALA 11 HB3 ALA 11 5.944 0.131 4.355
84 H CYS 12 H CYS 12 3.874 -0.821 2.727
85 HA CYS 12 HA CYS 12 2.529 -2.585 4.486
86 HB2 CYS 12 HB2 CYS 12 1.624 -0.388 3.694
87 HB3 CYS 12 HB1 CYS 12 1.473 -1.053 2.080
88 H ARG 13 H ARG 13 3.072 -2.560 0.986
89 HA ARG 13 HA ARG 13 1.713 -4.970 0.400
90 HB2 ARG 13 HB2 ARG 13 3.890 -3.516 -1.110
91 HB3 ARG 13 HB1 ARG 13 3.021 -4.906 -1.736
92 HG2 ARG 13 HG2 ARG 13 0.934 -3.660 -1.661
93 HG3 ARG 13 HG1 ARG 13 1.777 -2.271 -0.973
94 HD2 ARG 13 HD2 ARG 13 1.403 -1.993 -3.382
95 HD3 ARG 13 HD1 ARG 13 3.117 -2.057 -2.996
96 HE ARG 13 HE ARG 13 2.781 -4.554 -3.634
97 HH11 ARG 13 HH11 ARG 13 1.223 -1.803 -5.292
98 HH12 ARG 13 HH12 ARG 13 1.198 -2.578 -6.798
99 HH21 ARG 13 HH21 ARG 13 2.778 -5.557 -5.717
100 HH22 ARG 13 HH22 ARG 13 2.141 -4.747 -7.066
101 H VAL 14 H VAL 14 5.146 -4.240 0.907
102 HA VAL 14 HA VAL 14 6.113 -6.836 0.557
103 HB VAL 14 HB VAL 14 7.310 -4.565 2.193
104 HG11 VAL 14 HG11 VAL 14 8.250 -6.681 2.953
105 HG12 VAL 14 HG12 VAL 14 9.452 -5.792 2.010
106 HG13 VAL 14 3HG1 VAL 14 8.584 -7.145 1.289
107 HG21 VAL 14 HG21 VAL 14 7.926 -5.566 -0.588
108 HG22 VAL 14 HG22 VAL 14 8.775 -4.267 0.251
109 HG23 VAL 14 HG23 VAL 14 7.076 -4.072 -0.187
110 H ARG 15 H ARG 15 4.882 -5.236 3.454
111 HA ARG 15 HA ARG 15 5.533 -7.170 5.351
112 HB2 ARG 15 HB2 ARG 15 4.527 -4.967 5.904
113 HB3 ARG 15 HB1 ARG 15 2.998 -5.512 5.231
114 HG2 ARG 15 HG2 ARG 15 2.866 -7.257 6.944
115 HG3 ARG 15 HG1 ARG 15 4.397 -6.704 7.619
116 HD2 ARG 15 HD2 ARG 15 3.362 -4.487 8.027
117 HD3 ARG 15 HD1 ARG 15 1.824 -5.140 7.461
118 HE ARG 15 HE ARG 15 2.609 -6.867 9.397
119 HH11 ARG 15 HH11 ARG 15 2.027 -3.370 9.331
120 HH12 ARG 15 HH12 ARG 15 1.683 -3.253 10.988
121 HH21 ARG 15 HH21 ARG 15 2.127 -6.702 11.696
122 HH22 ARG 15 HH22 ARG 15 1.781 -5.188 12.373
123 H CYS 16 H CYS 16 2.646 -6.902 3.325
124 HA CYS 16 HA CYS 16 1.596 -9.372 4.205
125 HB2 CYS 16 HB2 CYS 16 0.950 -7.645 1.841
126 HB3 CYS 16 HB1 CYS 16 0.073 -9.123 2.231
127 H GLN 17 H GLN 17 3.791 -8.492 1.698
128 HA GLN 17 HA GLN 17 3.578 -10.780 0.097
129 HB2 GLN 17 HB2 GLN 17 4.655 -8.637 -0.540
130 HB3 GLN 17 HB1 GLN 17 5.956 -8.991 0.580
131 HG2 GLN 17 HG2 GLN 17 6.579 -10.926 -0.746
132 HG3 GLN 17 HG1 GLN 17 5.259 -10.589 -1.869
133 HE21 GLN 17 1HE2 GLN 17 6.601 -10.264 -3.604
134 HE22 GLN 17 2HE2 GLN 17 7.644 -8.900 -3.748
135 H VAL 18 H VAL 18 5.553 -10.014 2.916
136 HA VAL 18 HA VAL 18 6.699 -12.670 2.805
137 HB VAL 18 HB VAL 18 8.253 -10.842 3.214
138 HG11 VAL 18 HG11 VAL 18 6.756 -10.337 5.771
139 HG12 VAL 18 HG12 VAL 18 6.826 -9.278 4.366
140 HG13 VAL 18 3HG1 VAL 18 8.282 -9.582 5.309
141 HG21 VAL 18 HG21 VAL 18 8.839 -13.016 4.113
142 HG22 VAL 18 HG22 VAL 18 7.976 -12.657 5.608
143 HG23 VAL 18 HG23 VAL 18 9.423 -11.744 5.185
144 H ALA 19 H ALA 19 4.623 -10.816 5.052
145 HA ALA 19 HA ALA 19 4.597 -13.012 6.910
146 HB1 ALA 19 HB1 ALA 19 3.226 -11.607 8.317
147 HB2 ALA 19 HB2 ALA 19 2.996 -10.465 6.994
148 HB3 ALA 19 HB3 ALA 19 4.597 -10.684 7.698
149 H GLU 20 H GLU 20 2.241 -11.599 4.662
150 HA GLU 20 HA GLU 20 0.199 -13.450 5.507
151 HB2 GLU 20 HB2 GLU 20 0.308 -11.664 3.067
152 HB3 GLU 20 HB1 GLU 20 -1.084 -12.612 3.557
153 HG2 GLU 20 HG2 GLU 20 0.164 -10.420 5.184
154 HG3 GLU 20 HG1 GLU 20 -1.241 -10.216 4.138
155 H HIS 21 H HIS 21 2.004 -12.970 2.502
156 HA HIS 21 HA HIS 21 2.861 -14.322 0.948
157 HB2 HIS 21 HB2 HIS 21 3.931 -15.624 2.705
158 HB3 HIS 21 HB1 HIS 21 2.446 -16.514 2.998
159 HD1 HIS 21 HD1 HIS 21 5.371 -16.361 0.583
160 HD2 HIS 21 HD2 HIS 21 1.981 -18.649 1.313
161 HE1 HIS 21 HE1 HIS 21 5.607 -18.433 -0.814
162 H GLY 22 H GLY 22 -0.088 -15.642 2.299
163 HA2 GLY 22 HA2 GLY 22 -0.978 -17.146 0.126
164 HA3 GLY 22 HA1 GLY 22 -2.020 -16.377 1.317
165 H VAL 23 H VAL 23 -2.211 -16.737 -1.644
166 HA VAL 23 HA VAL 23 -1.737 -14.240 -2.903
167 HB VAL 23 HB VAL 23 -3.520 -16.492 -3.882
168 HG11 VAL 23 HG11 VAL 23 -3.802 -14.414 -5.124
169 HG12 VAL 23 HG12 VAL 23 -3.030 -15.651 -6.113
170 HG13 VAL 23 3HG1 VAL 23 -2.066 -14.349 -5.419
171 HG21 VAL 23 HG21 VAL 23 -0.557 -16.100 -4.304
172 HG22 VAL 23 HG22 VAL 23 -1.548 -17.329 -5.088
173 HG23 VAL 23 HG23 VAL 23 -1.313 -17.369 -3.340
174 H GLU 24 H GLU 24 -4.544 -15.666 -1.332
175 HA GLU 24 HA GLU 24 -6.371 -13.635 -2.221
176 HB2 GLU 24 HB2 GLU 24 -6.598 -15.410 0.229
177 HB3 GLU 24 HB1 GLU 24 -7.881 -14.444 -0.466
178 HG2 GLU 24 HG2 GLU 24 -6.529 -16.781 -1.772
179 HG3 GLU 24 HG1 GLU 24 -8.132 -16.764 -1.046
180 H ARG 25 H ARG 25 -4.403 -14.181 0.588
181 HA ARG 25 HA ARG 25 -5.253 -11.978 2.134
182 HB2 ARG 25 HB2 ARG 25 -2.552 -13.338 2.126
183 HB3 ARG 25 HB1 ARG 25 -3.178 -12.296 3.397
184 HG2 ARG 25 HG2 ARG 25 -4.356 -14.949 2.580
185 HG3 ARG 25 HG1 ARG 25 -3.305 -14.684 3.968
186 HD2 ARG 25 HD2 ARG 25 -6.013 -13.405 3.548
187 HD3 ARG 25 HD1 ARG 25 -5.685 -14.788 4.585
188 HE ARG 25 HE ARG 25 -4.053 -12.534 5.256
189 HH11 ARG 25 HH11 ARG 25 -7.312 -13.842 5.691
190 HH12 ARG 25 HH12 ARG 25 -7.545 -13.081 7.188
191 HH21 ARG 25 HH21 ARG 25 -4.355 -11.535 7.229
192 HH22 ARG 25 HH22 ARG 25 -5.818 -11.702 8.098
193 H GLN 26 H GLN 26 -2.564 -12.372 -0.142
194 HA GLN 26 HA GLN 26 -1.615 -9.725 0.071
195 HB2 GLN 26 HB2 GLN 26 -0.216 -11.512 -0.834
196 HB3 GLN 26 HB1 GLN 26 -1.313 -11.709 -2.193
197 HG2 GLN 26 HG2 GLN 26 0.651 -10.488 -2.892
198 HG3 GLN 26 HG1 GLN 26 -0.763 -9.442 -2.953
199 HE21 GLN 26 1HE2 GLN 26 2.240 -10.067 -1.428
200 HE22 GLN 26 2HE2 GLN 26 2.352 -8.578 -0.552
201 H ARG 27 H ARG 27 -4.118 -11.196 -1.903
202 HA ARG 27 HA ARG 27 -4.442 -9.057 -3.708
203 HB2 ARG 27 HB2 ARG 27 -5.412 -11.350 -3.970
204 HB3 ARG 27 HB1 ARG 27 -6.596 -10.951 -2.735
205 HG2 ARG 27 HG2 ARG 27 -7.586 -10.732 -4.932
206 HG3 ARG 27 HG1 ARG 27 -7.446 -9.143 -4.179
207 HD2 ARG 27 HD2 ARG 27 -6.789 -9.080 -6.543
208 HD3 ARG 27 HD1 ARG 27 -5.435 -8.679 -5.495
209 HE ARG 27 HE ARG 27 -5.776 -11.405 -6.540
210 HH11 ARG 27 HH11 ARG 27 -3.786 -8.466 -6.316
211 HH12 ARG 27 HH12 ARG 27 -2.435 -9.167 -7.071
212 HH21 ARG 27 HH21 ARG 27 -3.907 -12.332 -7.606
213 HH22 ARG 27 HH22 ARG 27 -2.495 -11.424 -7.808
214 H ARG 28 H ARG 28 -5.748 -9.722 -0.522
215 HA ARG 28 HA ARG 28 -7.480 -7.481 -0.370
216 HB2 ARG 28 HB2 ARG 28 -7.663 -9.382 1.198
217 HB3 ARG 28 HB1 ARG 28 -6.078 -8.998 1.847
218 HG2 ARG 28 HG2 ARG 28 -6.928 -6.862 2.683
219 HG3 ARG 28 HG1 ARG 28 -8.519 -7.235 2.022
220 HD2 ARG 28 HD2 ARG 28 -8.676 -9.181 3.452
221 HD3 ARG 28 HD1 ARG 28 -7.069 -8.860 4.109
222 HE ARG 28 HE ARG 28 -8.690 -6.606 4.458
223 HH11 ARG 28 HH11 ARG 28 -8.424 -9.900 5.694
224 HH12 ARG 28 HH12 ARG 28 -9.099 -9.555 7.219
225 HH21 ARG 28 HH21 ARG 28 -9.640 -6.118 6.569
226 HH22 ARG 28 HH22 ARG 28 -9.777 -7.370 7.718
227 H CYS 29 H CYS 29 -4.155 -8.062 0.726
228 HA CYS 29 HA CYS 29 -3.702 -5.548 1.779
229 HB2 CYS 29 HB2 CYS 29 -1.807 -7.562 0.631
230 HB3 CYS 29 HB1 CYS 29 -1.297 -6.097 1.462
231 H GLN 30 H GLN 30 -3.065 -6.712 -1.530
232 HA GLN 30 HA GLN 30 -1.866 -4.438 -2.565
233 HB2 GLN 30 HB2 GLN 30 -2.174 -6.540 -3.831
234 HB3 GLN 30 HB1 GLN 30 -3.896 -6.215 -3.931
235 HG2 GLN 30 HG2 GLN 30 -3.380 -4.127 -5.173
236 HG3 GLN 30 HG1 GLN 30 -1.685 -4.608 -5.183
237 HE21 GLN 30 1HE2 GLN 30 -4.852 -5.273 -6.383
238 HE22 GLN 30 2HE2 GLN 30 -4.377 -6.315 -7.668
239 H GLN 31 H GLN 31 -5.277 -5.228 -2.275
240 HA GLN 31 HA GLN 31 -6.394 -2.938 -3.437
241 HB2 GLN 31 HB2 GLN 31 -7.592 -5.043 -3.005
242 HB3 GLN 31 HB1 GLN 31 -7.477 -4.753 -1.279
243 HG2 GLN 31 HG2 GLN 31 -8.815 -2.683 -1.611
244 HG3 GLN 31 HG1 GLN 31 -9.025 -3.157 -3.295
245 HE21 GLN 31 1HE2 GLN 31 -9.200 -6.038 -2.563
246 HE22 GLN 31 2HE2 GLN 31 -10.763 -6.235 -1.889
247 H VAL 32 H VAL 32 -5.858 -3.771 -0.032
248 HA VAL 32 HA VAL 32 -6.845 -1.327 0.989
249 HB VAL 32 HB VAL 32 -5.163 -3.443 2.362
250 HG11 VAL 32 HG11 VAL 32 -4.996 -1.299 3.552
251 HG12 VAL 32 HG12 VAL 32 -5.945 -2.464 4.475
252 HG13 VAL 32 3HG1 VAL 32 -6.755 -1.177 3.583
253 HG21 VAL 32 HG21 VAL 32 -8.134 -2.927 2.367
254 HG22 VAL 32 HG22 VAL 32 -7.305 -4.169 3.305
255 HG23 VAL 32 HG23 VAL 32 -7.310 -4.250 1.546
256 H CYS 33 H CYS 33 -3.511 -2.457 0.436
257 HA CYS 33 HA CYS 33 -2.377 -0.139 1.593
258 HB2 CYS 33 HB2 CYS 33 -1.117 -2.050 -0.398
259 HB3 CYS 33 HB1 CYS 33 -0.252 -0.883 0.591
260 H GLU 34 H GLU 34 -3.506 -0.926 -1.651
261 HA GLU 34 HA GLU 34 -2.397 1.340 -2.982
262 HB2 GLU 34 HB2 GLU 34 -3.476 -0.806 -3.980
263 HB3 GLU 34 HB1 GLU 34 -5.003 -0.000 -3.683
264 HG2 GLU 34 HG2 GLU 34 -4.368 0.308 -5.967
265 HG3 GLU 34 HG1 GLU 34 -4.265 1.857 -5.128
266 H LYS 35 H LYS 35 -5.434 0.635 -1.373
267 HA LYS 35 HA LYS 35 -6.749 3.072 -1.734
268 HB2 LYS 35 HB2 LYS 35 -7.927 1.168 -0.884
269 HB3 LYS 35 HB1 LYS 35 -6.864 1.060 0.508
270 HG2 LYS 35 HG2 LYS 35 -7.741 3.206 1.331
271 HG3 LYS 35 HG1 LYS 35 -8.831 3.267 -0.052
272 HD2 LYS 35 HD2 LYS 35 -8.798 1.041 1.981
273 HD3 LYS 35 HD1 LYS 35 -9.878 2.434 2.050
274 HE2 LYS 35 HE2 LYS 35 -9.734 0.482 -0.247
275 HE3 LYS 35 HE1 LYS 35 -10.906 0.420 1.060
276 HZ1 LYS 35 HZ1 LYS 35 -11.746 2.586 0.381
277 HZ2 LYS 35 HZ2 LYS 35 -11.808 1.507 -0.889
278 HZ3 LYS 35 HZ3 LYS 35 -10.612 2.682 -0.867
279 H ARG 36 H ARG 36 -4.654 1.941 0.867
280 HA ARG 36 HA ARG 36 -4.630 4.232 2.442
281 HB2 ARG 36 HB2 ARG 36 -2.502 2.155 2.011
282 HB3 ARG 36 HB1 ARG 36 -2.350 3.453 3.182
283 HG2 ARG 36 HG2 ARG 36 -4.363 2.631 4.325
284 HG3 ARG 36 HG1 ARG 36 -4.457 1.304 3.162
285 HD2 ARG 36 HD2 ARG 36 -3.379 0.662 5.283
286 HD3 ARG 36 HD1 ARG 36 -2.316 0.456 3.886
287 HE ARG 36 HE ARG 36 -1.780 2.966 4.839
288 HH11 ARG 36 HH11 ARG 36 -1.621 -0.263 6.251
289 HH12 ARG 36 HH12 ARG 36 -0.369 0.136 7.334
290 HH21 ARG 36 HH21 ARG 36 -0.104 3.499 6.261
291 HH22 ARG 36 HH22 ARG 36 0.536 2.327 7.337
292 H LEU 37 H LEU 37 -2.549 3.319 -0.255
293 HA LEU 37 HA LEU 37 -0.899 5.577 -0.200
294 HB2 LEU 37 HB2 LEU 37 -0.316 3.603 -1.473
295 HB3 LEU 37 HB1 LEU 37 -1.715 3.815 -2.502
296 HG LEU 37 HG LEU 37 -0.763 5.886 -3.359
297 HD11 LEU 37 HD11 LEU 37 1.607 6.419 -2.946
298 HD12 LEU 37 HD12 LEU 37 1.673 5.132 -1.742
299 HD13 LEU 37 HD13 LEU 37 0.634 6.535 -1.483
300 HD21 LEU 37 HD21 LEU 37 -0.425 3.847 -4.562
301 HD22 LEU 37 HD22 LEU 37 1.025 3.499 -3.619
302 HD23 LEU 37 HD23 LEU 37 0.994 4.884 -4.712
303 H ARG 38 H ARG 38 -3.836 4.910 -2.049
304 HA ARG 38 HA ARG 38 -3.799 7.406 -3.353
305 HB2 ARG 38 HB2 ARG 38 -6.031 5.428 -3.015
306 HB3 ARG 38 HB1 ARG 38 -6.153 6.881 -4.001
307 HG2 ARG 38 HG2 ARG 38 -4.227 4.597 -4.406
308 HG3 ARG 38 HG1 ARG 38 -5.639 4.978 -5.395
309 HD2 ARG 38 HD2 ARG 38 -3.159 6.694 -5.072
310 HD3 ARG 38 HD1 ARG 38 -3.623 5.766 -6.487
311 HE ARG 38 HE ARG 38 -5.746 7.282 -6.233
312 HH11 ARG 38 HH11 ARG 38 -2.333 8.335 -5.883
313 HH12 ARG 38 HH12 ARG 38 -2.604 9.822 -6.641
314 HH21 ARG 38 HH21 ARG 38 -6.071 9.372 -7.225
315 HH22 ARG 38 HH22 ARG 38 -4.754 10.426 -7.410
316 H GLU 39 H GLU 39 -5.249 6.461 -0.334
317 HA GLU 39 HA GLU 39 -6.475 9.043 -0.077
318 HB2 GLU 39 HB2 GLU 39 -6.054 6.753 1.758
319 HB3 GLU 39 HB1 GLU 39 -6.747 8.265 2.343
320 HG2 GLU 39 HG2 GLU 39 -7.895 6.627 0.088
321 HG3 GLU 39 HG1 GLU 39 -8.434 6.520 1.761
322 H ARG 40 H ARG 40 -3.440 7.579 0.852
323 HA ARG 40 HA ARG 40 -2.549 9.639 2.550
324 HB2 ARG 40 HB2 ARG 40 -1.427 7.438 2.346
325 HB3 ARG 40 HB1 ARG 40 -0.949 7.842 0.709
326 HG2 ARG 40 HG2 ARG 40 0.912 8.092 2.233
327 HG3 ARG 40 HG1 ARG 40 0.444 9.657 1.564
328 HD2 ARG 40 HD2 ARG 40 -0.713 10.232 3.590
329 HD3 ARG 40 HD1 ARG 40 -0.431 8.623 4.257
330 HE ARG 40 HE ARG 40 1.993 9.838 3.535
331 HH11 ARG 40 HH11 ARG 40 -0.497 10.091 6.026
332 HH12 ARG 40 HH12 ARG 40 0.575 10.623 7.248
333 HH21 ARG 40 HH21 ARG 40 3.450 10.577 5.186
334 HH22 ARG 40 HH22 ARG 40 2.881 10.938 6.742
335 H GLU 41 H GLU 41 -2.291 9.105 -0.909
336 HA GLU 41 HA GLU 41 -0.971 11.574 -1.443
337 HB2 GLU 41 HB2 GLU 41 -2.508 9.790 -3.330
338 HB3 GLU 41 HB1 GLU 41 -1.438 11.093 -3.798
339 HG2 GLU 41 HG2 GLU 41 0.438 9.835 -2.757
340 HG3 GLU 41 HG1 GLU 41 -0.683 8.503 -2.466
341 H GLY 42 H GLY 42 -4.314 10.409 -2.063
342 HA2 GLY 42 HA2 GLY 42 -4.995 12.974 -3.179
343 HA3 GLY 42 HA1 GLY 42 -6.001 11.546 -3.133
344 H ARG 43 H ARG 43 -5.503 11.496 -0.082
345 HA ARG 43 HA ARG 43 -7.715 13.311 0.398
346 HB2 ARG 43 HB2 ARG 43 -7.678 10.950 1.296
347 HB3 ARG 43 HB1 ARG 43 -6.378 11.444 2.359
348 HG2 ARG 43 HG2 ARG 43 -8.470 11.395 3.552
349 HG3 ARG 43 HG1 ARG 43 -7.895 13.062 3.419
350 HD2 ARG 43 HD2 ARG 43 -10.330 12.775 2.969
351 HD3 ARG 43 HD1 ARG 43 -9.432 13.519 1.643
352 HE ARG 43 HE ARG 43 -9.620 10.683 1.415
353 HH11 ARG 43 HH11 ARG 43 -11.559 13.592 0.946
354 HH12 ARG 43 HH12 ARG 43 -12.400 13.006 -0.415
355 HH21 ARG 43 HH21 ARG 43 -10.646 9.891 -0.441
356 HH22 ARG 43 HH22 ARG 43 -11.849 10.787 -1.264
357 H ARG 44 H ARG 44 -4.320 13.101 0.854
358 HA ARG 44 HA ARG 44 -4.411 15.299 2.738
359 HB2 ARG 44 HB2 ARG 44 -2.919 13.130 2.942
360 HB3 ARG 44 HB1 ARG 44 -1.846 13.997 1.861
361 HG2 ARG 44 HG2 ARG 44 -2.797 15.215 4.439
362 HG3 ARG 44 HG1 ARG 44 -1.411 14.132 4.386
363 HD2 ARG 44 HD2 ARG 44 -1.687 16.668 2.784
364 HD3 ARG 44 HD1 ARG 44 -0.793 16.530 4.303
365 HE ARG 44 HE ARG 44 0.414 14.672 3.023
366 HH11 ARG 44 HH11 ARG 44 -0.547 17.832 1.735
367 HH12 ARG 44 HH12 ARG 44 0.551 17.743 0.428
368 HH21 ARG 44 HH21 ARG 44 1.935 14.629 1.243
369 HH22 ARG 44 HH22 ARG 44 1.914 15.942 0.132
370 H GLU 45 H GLU 45 -2.979 14.571 -0.537
371 HA GLU 45 HA GLU 45 -3.628 17.301 -1.115
372 HB2 GLU 45 HB2 GLU 45 -1.561 17.781 -2.418
373 HB3 GLU 45 HB1 GLU 45 -1.236 17.552 -0.718
374 HG2 GLU 45 HG2 GLU 45 -0.305 15.353 -1.173
375 HG3 GLU 45 HG1 GLU 45 -0.711 15.523 -2.883
376 H VAL 46 H VAL 46 -5.319 16.807 -2.193
377 HA VAL 46 HA VAL 46 -5.471 14.767 -4.150
378 HB VAL 46 HB VAL 46 -7.438 15.496 -2.852
379 HG11 VAL 46 HG11 VAL 46 -8.641 17.546 -3.385
380 HG12 VAL 46 HG12 VAL 46 -7.341 18.020 -4.475
381 HG13 VAL 46 3HG1 VAL 46 -7.032 17.876 -2.747
382 HG21 VAL 46 HG21 VAL 46 -7.769 15.830 -5.830
383 HG22 VAL 46 HG22 VAL 46 -9.085 15.551 -4.691
384 HG23 VAL 46 HG23 VAL 46 -7.847 14.318 -4.925
385 H ASP 47 H ASP 47 -5.335 14.818 -6.293
386 HA ASP 47 HA ASP 47 -4.231 17.135 -7.575
387 HB2 ASP 47 HB2 ASP 47 -4.946 14.390 -8.644
388 HB3 ASP 47 HB1 ASP 47 -4.397 15.696 -9.684
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 15.953 5.825 1.525
2 H3 PRO 1 HT2 PRO 1 15.091 4.462 1.632
3 HA PRO 1 HA PRO 1 13.557 5.288 2.857
4 HB2 PRO 1 HB2 PRO 1 14.829 7.557 4.065
5 HB3 PRO 1 HB1 PRO 1 14.061 6.174 4.855
6 HG2 PRO 1 HG2 PRO 1 16.891 6.655 4.339
7 HG3 PRO 1 HG1 PRO 1 16.133 5.444 5.379
8 HD2 PRO 1 HD2 PRO 1 17.430 4.829 3.037
9 HD3 PRO 1 HD1 PRO 1 16.127 3.842 3.721
10 H ARG 2 H ARG 2 12.229 6.315 1.556
11 HA ARG 2 HA ARG 2 13.307 8.548 -0.001
12 HB2 ARG 2 HB2 ARG 2 10.953 6.762 -0.514
13 HB3 ARG 2 HB1 ARG 2 11.264 8.231 -1.413
14 HG2 ARG 2 HG2 ARG 2 13.455 7.246 -2.092
15 HG3 ARG 2 HG1 ARG 2 12.935 5.748 -1.311
16 HD2 ARG 2 HD2 ARG 2 12.483 5.753 -3.740
17 HD3 ARG 2 HD1 ARG 2 11.015 5.602 -2.773
18 HE ARG 2 HE ARG 2 11.368 8.302 -3.231
19 HH11 ARG 2 HH11 ARG 2 10.814 5.451 -5.304
20 HH12 ARG 2 HH12 ARG 2 10.015 6.350 -6.501
21 HH21 ARG 2 HH21 ARG 2 10.221 9.474 -4.859
22 HH22 ARG 2 HH22 ARG 2 9.686 8.676 -6.265
23 H GLY 3 H GLY 3 12.338 10.479 0.004
24 HA2 GLY 3 HA2 GLY 3 10.247 10.988 1.942
25 HA3 GLY 3 HA1 GLY 3 11.057 12.191 0.929
26 H SER 4 H SER 4 9.097 9.293 0.508
27 HA SER 4 HA SER 4 7.251 10.658 -1.249
28 HB2 SER 4 HB2 SER 4 8.790 8.175 -2.095
29 HB3 SER 4 HB1 SER 4 7.563 9.019 -3.037
30 HG SER 4 HG SER 4 9.128 10.878 -2.632
31 HA PRO 5 HA PRO 5 4.767 7.789 1.134
32 HB2 PRO 5 HB2 PRO 5 2.486 7.851 -0.321
33 HB3 PRO 5 HB1 PRO 5 2.983 9.186 0.729
34 HG2 PRO 5 HG2 PRO 5 3.309 8.881 -2.232
35 HG3 PRO 5 HG1 PRO 5 2.771 10.300 -1.318
36 HD2 PRO 5 HD2 PRO 5 5.293 10.068 -2.237
37 HD3 PRO 5 HD1 PRO 5 4.928 10.865 -0.696
38 H ARG 6 H ARG 6 5.696 7.284 -2.070
39 HA ARG 6 HA ARG 6 4.430 4.925 -2.851
40 HB2 ARG 6 HB2 ARG 6 7.275 5.734 -3.434
41 HB3 ARG 6 HB1 ARG 6 6.470 4.371 -4.184
42 HG2 ARG 6 HG2 ARG 6 4.771 6.010 -5.063
43 HG3 ARG 6 HG1 ARG 6 5.848 7.287 -4.479
44 HD2 ARG 6 HD2 ARG 6 6.263 6.837 -6.845
45 HD3 ARG 6 HD1 ARG 6 7.659 6.394 -5.864
46 HE ARG 6 HE ARG 6 6.167 4.103 -6.071
47 HH11 ARG 6 HH11 ARG 6 7.693 6.241 -8.435
48 HH12 ARG 6 HH12 ARG 6 7.999 5.008 -9.561
49 HH21 ARG 6 HH21 ARG 6 6.606 2.425 -7.590
50 HH22 ARG 6 HH22 ARG 6 7.348 2.787 -9.088
51 H THR 7 H THR 7 7.270 5.291 -0.722
52 HA THR 7 HA THR 7 7.909 2.573 -0.715
53 HB THR 7 HB THR 7 9.162 3.427 1.425
54 HG1 THR 7 HG1 THR 7 8.823 5.494 1.807
55 HG21 THR 7 HG21 THR 7 10.231 2.906 -0.719
56 HG22 THR 7 HG22 THR 7 10.877 4.417 -0.064
57 HG23 THR 7 HG23 THR 7 9.691 4.453 -1.366
58 H GLU 8 H GLU 8 5.767 4.534 1.175
59 HA GLU 8 HA GLU 8 5.318 2.734 3.320
60 HB2 GLU 8 HB2 GLU 8 3.527 4.845 2.112
61 HB3 GLU 8 HB1 GLU 8 3.226 4.035 3.641
62 HG2 GLU 8 HG2 GLU 8 5.652 5.712 3.055
63 HG3 GLU 8 HG1 GLU 8 4.203 6.299 3.868
64 H TYR 9 H TYR 9 3.739 3.303 0.228
65 HA TYR 9 HA TYR 9 1.713 1.364 0.502
66 HB2 TYR 9 HB2 TYR 9 1.202 3.024 -0.999
67 HB3 TYR 9 HB1 TYR 9 2.841 3.134 -1.605
68 HD1 TYR 9 HD1 TYR 9 3.557 1.823 -3.363
69 HD2 TYR 9 HD2 TYR 9 -0.376 1.388 -1.916
70 HE1 TYR 9 HE1 TYR 9 2.981 0.595 -5.416
71 HE2 TYR 9 HE2 TYR 9 -1.013 0.150 -3.954
72 HH TYR 9 HH TYR 9 1.391 -0.902 -6.250
73 H GLU 10 H GLU 10 4.867 1.419 -1.015
74 HA GLU 10 HA GLU 10 4.816 -1.109 -2.201
75 HB2 GLU 10 HB2 GLU 10 6.359 0.785 -2.712
76 HB3 GLU 10 HB1 GLU 10 7.198 0.441 -1.212
77 HG2 GLU 10 HG2 GLU 10 7.828 -1.739 -2.040
78 HG3 GLU 10 HG1 GLU 10 6.920 -1.443 -3.524
79 H ALA 11 H ALA 11 6.218 -0.034 0.925
80 HA ALA 11 HA ALA 11 7.129 -2.584 1.696
81 HB1 ALA 11 HB1 ALA 11 7.974 -0.516 2.701
82 HB2 ALA 11 HB2 ALA 11 7.379 -1.634 3.929
83 HB3 ALA 11 HB3 ALA 11 6.404 -0.243 3.455
84 H CYS 12 H CYS 12 4.084 -0.935 2.095
85 HA CYS 12 HA CYS 12 2.786 -2.592 3.898
86 HB2 CYS 12 HB2 CYS 12 1.864 -0.467 3.030
87 HB3 CYS 12 HB1 CYS 12 1.685 -1.194 1.447
88 H ARG 13 H ARG 13 3.192 -2.894 0.428
89 HA ARG 13 HA ARG 13 1.669 -5.265 0.128
90 HB2 ARG 13 HB2 ARG 13 3.669 -3.871 -1.624
91 HB3 ARG 13 HB1 ARG 13 2.827 -5.328 -2.122
92 HG2 ARG 13 HG2 ARG 13 0.698 -4.205 -1.961
93 HG3 ARG 13 HG1 ARG 13 1.474 -2.766 -1.300
94 HD2 ARG 13 HD2 ARG 13 0.915 -2.553 -3.693
95 HD3 ARG 13 HD1 ARG 13 2.636 -2.387 -3.371
96 HE ARG 13 HE ARG 13 2.719 -4.837 -4.029
97 HH11 ARG 13 HH11 ARG 13 0.230 -2.684 -5.404
98 HH12 ARG 13 HH12 ARG 13 0.332 -3.362 -6.952
99 HH21 ARG 13 HH21 ARG 13 2.778 -5.783 -6.201
100 HH22 ARG 13 HH22 ARG 13 1.807 -5.116 -7.426
101 H VAL 14 H VAL 14 5.147 -4.599 0.299
102 HA VAL 14 HA VAL 14 6.028 -7.246 0.025
103 HB VAL 14 HB VAL 14 7.370 -5.005 1.582
104 HG11 VAL 14 HG11 VAL 14 8.548 -7.547 0.449
105 HG12 VAL 14 HG12 VAL 14 8.318 -7.183 2.158
106 HG13 VAL 14 3HG1 VAL 14 9.463 -6.242 1.201
107 HG21 VAL 14 HG21 VAL 14 7.715 -5.865 -1.292
108 HG22 VAL 14 HG22 VAL 14 8.674 -4.635 -0.469
109 HG23 VAL 14 HG23 VAL 14 6.949 -4.376 -0.734
110 H ARG 15 H ARG 15 5.157 -5.395 2.911
111 HA ARG 15 HA ARG 15 5.775 -7.239 4.882
112 HB2 ARG 15 HB2 ARG 15 5.096 -4.968 5.405
113 HB3 ARG 15 HB1 ARG 15 3.489 -5.265 4.778
114 HG2 ARG 15 HG2 ARG 15 3.513 -5.250 7.225
115 HG3 ARG 15 HG1 ARG 15 3.043 -6.828 6.599
116 HD2 ARG 15 HD2 ARG 15 4.585 -7.041 8.489
117 HD3 ARG 15 HD1 ARG 15 5.300 -7.670 7.009
118 HE ARG 15 HE ARG 15 6.073 -5.020 7.230
119 HH11 ARG 15 HH11 ARG 15 6.565 -8.030 9.109
120 HH12 ARG 15 HH12 ARG 15 8.101 -7.567 9.642
121 HH21 ARG 15 HH21 ARG 15 8.193 -4.426 8.014
122 HH22 ARG 15 HH22 ARG 15 9.045 -5.487 9.022
123 H CYS 16 H CYS 16 2.797 -6.984 2.962
124 HA CYS 16 HA CYS 16 1.666 -9.189 4.301
125 HB2 CYS 16 HB2 CYS 16 0.853 -7.746 1.818
126 HB3 CYS 16 HB1 CYS 16 0.030 -9.220 2.325
127 H GLN 17 H GLN 17 3.685 -9.014 1.475
128 HA GLN 17 HA GLN 17 3.218 -11.689 0.639
129 HB2 GLN 17 HB2 GLN 17 5.641 -9.921 0.258
130 HB3 GLN 17 HB1 GLN 17 5.377 -11.450 -0.564
131 HG2 GLN 17 HG2 GLN 17 3.392 -10.534 -1.642
132 HG3 GLN 17 HG1 GLN 17 3.649 -9.002 -0.807
133 HE21 GLN 17 1HE2 GLN 17 3.840 -7.895 -2.756
134 HE22 GLN 17 2HE2 GLN 17 5.253 -8.044 -3.740
135 H VAL 18 H VAL 18 5.544 -10.166 2.773
136 HA VAL 18 HA VAL 18 6.967 -12.550 3.360
137 HB VAL 18 HB VAL 18 6.930 -9.904 4.837
138 HG11 VAL 18 HG11 VAL 18 8.878 -12.202 5.064
139 HG12 VAL 18 HG12 VAL 18 7.727 -11.692 6.298
140 HG13 VAL 18 3HG1 VAL 18 9.054 -10.625 5.835
141 HG21 VAL 18 HG21 VAL 18 7.707 -9.694 2.546
142 HG22 VAL 18 HG22 VAL 18 8.848 -11.014 2.793
143 HG23 VAL 18 HG23 VAL 18 9.053 -9.496 3.667
144 H ALA 19 H ALA 19 4.636 -10.643 5.269
145 HA ALA 19 HA ALA 19 4.758 -12.582 7.402
146 HB1 ALA 19 HB1 ALA 19 3.404 -11.037 8.663
147 HB2 ALA 19 HB2 ALA 19 3.100 -10.083 7.213
148 HB3 ALA 19 HB3 ALA 19 4.730 -10.180 7.876
149 H GLU 20 H GLU 20 2.198 -11.417 5.196
150 HA GLU 20 HA GLU 20 0.256 -13.098 6.481
151 HB2 GLU 20 HB2 GLU 20 0.017 -11.670 3.828
152 HB3 GLU 20 HB1 GLU 20 -1.300 -12.361 4.756
153 HG2 GLU 20 HG2 GLU 20 0.411 -10.017 5.558
154 HG3 GLU 20 HG1 GLU 20 -1.247 -9.942 4.969
155 H HIS 21 H HIS 21 1.780 -13.030 3.326
156 HA HIS 21 HA HIS 21 2.249 -14.521 1.743
157 HB2 HIS 21 HB2 HIS 21 3.593 -15.542 3.597
158 HB3 HIS 21 HB1 HIS 21 2.241 -16.614 3.932
159 HD1 HIS 21 HD1 HIS 21 5.290 -16.432 1.988
160 HD2 HIS 21 HD2 HIS 21 1.629 -18.345 1.595
161 HE1 HIS 21 HE1 HIS 21 5.620 -18.238 0.259
162 H GLY 22 H GLY 22 0.684 -14.664 0.345
163 HA2 GLY 22 HA2 GLY 22 -0.748 -16.888 -0.167
164 HA3 GLY 22 HA1 GLY 22 -1.766 -15.975 0.943
165 H VAL 23 H VAL 23 -1.996 -16.633 -1.969
166 HA VAL 23 HA VAL 23 -1.673 -14.256 -3.461
167 HB VAL 23 HB VAL 23 -3.581 -16.576 -3.953
168 HG11 VAL 23 HG11 VAL 23 -2.619 -14.454 -5.865
169 HG12 VAL 23 HG12 VAL 23 -4.246 -14.586 -5.200
170 HG13 VAL 23 3HG1 VAL 23 -3.628 -15.839 -6.279
171 HG21 VAL 23 HG21 VAL 23 -1.233 -17.264 -3.870
172 HG22 VAL 23 HG22 VAL 23 -0.836 -16.058 -5.095
173 HG23 VAL 23 HG23 VAL 23 -1.894 -17.409 -5.496
174 H GLU 24 H GLU 24 -4.532 -15.730 -1.995
175 HA GLU 24 HA GLU 24 -6.324 -13.662 -2.526
176 HB2 GLU 24 HB2 GLU 24 -6.357 -15.561 -0.159
177 HB3 GLU 24 HB1 GLU 24 -7.700 -14.566 -0.673
178 HG2 GLU 24 HG2 GLU 24 -8.211 -16.706 -1.470
179 HG3 GLU 24 HG1 GLU 24 -7.608 -15.844 -2.872
180 H ARG 25 H ARG 25 -4.197 -14.207 0.187
181 HA ARG 25 HA ARG 25 -5.054 -12.039 1.796
182 HB2 ARG 25 HB2 ARG 25 -2.412 -13.495 1.743
183 HB3 ARG 25 HB1 ARG 25 -2.919 -12.389 3.012
184 HG2 ARG 25 HG2 ARG 25 -4.761 -13.844 3.589
185 HG3 ARG 25 HG1 ARG 25 -4.359 -14.928 2.265
186 HD2 ARG 25 HD2 ARG 25 -2.163 -15.343 3.333
187 HD3 ARG 25 HD1 ARG 25 -2.655 -14.316 4.679
188 HE ARG 25 HE ARG 25 -4.525 -16.393 4.157
189 HH11 ARG 25 HH11 ARG 25 -1.413 -15.777 5.747
190 HH12 ARG 25 HH12 ARG 25 -1.617 -16.999 6.899
191 HH21 ARG 25 HH21 ARG 25 -4.751 -18.101 5.702
192 HH22 ARG 25 HH22 ARG 25 -3.536 -18.370 6.872
193 H GLN 26 H GLN 26 -2.477 -12.348 -0.583
194 HA GLN 26 HA GLN 26 -1.369 -9.776 -0.192
195 HB2 GLN 26 HB2 GLN 26 -0.188 -11.711 -1.157
196 HB3 GLN 26 HB1 GLN 26 -1.239 -11.637 -2.555
197 HG2 GLN 26 HG2 GLN 26 -0.296 -9.524 -3.199
198 HG3 GLN 26 HG1 GLN 26 0.672 -9.475 -1.720
199 HE21 GLN 26 1HE2 GLN 26 1.520 -9.515 -4.530
200 HE22 GLN 26 2HE2 GLN 26 2.568 -10.871 -4.652
201 H ARG 27 H ARG 27 -3.734 -11.123 -2.424
202 HA ARG 27 HA ARG 27 -4.163 -8.865 -4.030
203 HB2 ARG 27 HB2 ARG 27 -4.939 -11.132 -4.578
204 HB3 ARG 27 HB1 ARG 27 -6.070 -11.068 -3.241
205 HG2 ARG 27 HG2 ARG 27 -7.302 -9.294 -4.337
206 HG3 ARG 27 HG1 ARG 27 -6.139 -9.287 -5.669
207 HD2 ARG 27 HD2 ARG 27 -7.873 -11.607 -4.843
208 HD3 ARG 27 HD1 ARG 27 -8.145 -10.559 -6.236
209 HE ARG 27 HE ARG 27 -5.753 -11.380 -6.808
210 HH11 ARG 27 HH11 ARG 27 -8.413 -13.365 -5.534
211 HH12 ARG 27 HH12 ARG 27 -7.845 -14.799 -6.269
212 HH21 ARG 27 HH21 ARG 27 -5.028 -13.366 -7.818
213 HH22 ARG 27 HH22 ARG 27 -5.909 -14.802 -7.584
214 H ARG 28 H ARG 28 -5.602 -9.920 -1.009
215 HA ARG 28 HA ARG 28 -7.467 -7.830 -0.724
216 HB2 ARG 28 HB2 ARG 28 -7.652 -9.844 0.607
217 HB3 ARG 28 HB1 ARG 28 -6.076 -9.570 1.327
218 HG2 ARG 28 HG2 ARG 28 -7.831 -9.046 2.905
219 HG3 ARG 28 HG1 ARG 28 -6.956 -7.581 2.462
220 HD2 ARG 28 HD2 ARG 28 -8.754 -7.016 0.877
221 HD3 ARG 28 HD1 ARG 28 -9.634 -8.459 1.384
222 HE ARG 28 HE ARG 28 -9.175 -7.153 3.696
223 HH11 ARG 28 HH11 ARG 28 -10.711 -6.210 0.635
224 HH12 ARG 28 HH12 ARG 28 -11.736 -5.056 1.330
225 HH21 ARG 28 HH21 ARG 28 -10.618 -5.533 4.660
226 HH22 ARG 28 HH22 ARG 28 -11.672 -4.650 3.666
227 H CYS 29 H CYS 29 -4.185 -8.259 0.620
228 HA CYS 29 HA CYS 29 -4.008 -5.843 1.929
229 HB2 CYS 29 HB2 CYS 29 -1.934 -7.646 0.776
230 HB3 CYS 29 HB1 CYS 29 -1.506 -6.140 1.569
231 H GLN 30 H GLN 30 -3.108 -6.562 -1.453
232 HA GLN 30 HA GLN 30 -1.877 -4.080 -1.874
233 HB2 GLN 30 HB2 GLN 30 -1.944 -4.570 -4.249
234 HB3 GLN 30 HB1 GLN 30 -1.595 -6.041 -3.370
235 HG2 GLN 30 HG2 GLN 30 -3.929 -6.726 -3.614
236 HG3 GLN 30 HG1 GLN 30 -4.245 -5.258 -4.536
237 HE21 GLN 30 1HE2 GLN 30 -3.320 -5.034 -6.575
238 HE22 GLN 30 2HE2 GLN 30 -2.775 -6.399 -7.467
239 H GLN 31 H GLN 31 -5.223 -5.011 -1.970
240 HA GLN 31 HA GLN 31 -6.220 -2.655 -3.222
241 HB2 GLN 31 HB2 GLN 31 -7.492 -4.739 -3.162
242 HB3 GLN 31 HB1 GLN 31 -7.549 -4.681 -1.409
243 HG2 GLN 31 HG2 GLN 31 -8.879 -2.630 -1.542
244 HG3 GLN 31 HG1 GLN 31 -8.842 -2.737 -3.302
245 HE21 GLN 31 1HE2 GLN 31 -10.066 -4.290 -4.322
246 HE22 GLN 31 2HE2 GLN 31 -11.319 -5.155 -3.523
247 H VAL 32 H VAL 32 -5.690 -3.717 0.073
248 HA VAL 32 HA VAL 32 -6.797 -1.474 1.394
249 HB VAL 32 HB VAL 32 -4.642 -3.374 2.372
250 HG11 VAL 32 HG11 VAL 32 -5.366 -2.722 4.627
251 HG12 VAL 32 HG12 VAL 32 -6.462 -1.536 3.918
252 HG13 VAL 32 3HG1 VAL 32 -4.722 -1.358 3.715
253 HG21 VAL 32 HG21 VAL 32 -6.662 -4.574 1.734
254 HG22 VAL 32 HG22 VAL 32 -7.635 -3.495 2.730
255 HG23 VAL 32 HG23 VAL 32 -6.466 -4.578 3.486
256 H CYS 33 H CYS 33 -3.475 -2.337 0.516
257 HA CYS 33 HA CYS 33 -2.199 -0.084 1.560
258 HB2 CYS 33 HB2 CYS 33 -1.346 -1.718 -0.843
259 HB3 CYS 33 HB1 CYS 33 -0.309 -0.666 0.113
260 H GLU 34 H GLU 34 -3.677 -0.614 -1.621
261 HA GLU 34 HA GLU 34 -2.820 1.798 -2.823
262 HB2 GLU 34 HB2 GLU 34 -3.751 -0.212 -4.004
263 HB3 GLU 34 HB1 GLU 34 -5.331 0.197 -3.361
264 HG2 GLU 34 HG2 GLU 34 -5.275 0.968 -5.587
265 HG3 GLU 34 HG1 GLU 34 -5.141 2.389 -4.557
266 H LYS 35 H LYS 35 -5.645 0.859 -0.947
267 HA LYS 35 HA LYS 35 -7.157 3.223 -1.270
268 HB2 LYS 35 HB2 LYS 35 -8.018 0.995 -0.448
269 HB3 LYS 35 HB1 LYS 35 -7.247 1.345 1.086
270 HG2 LYS 35 HG2 LYS 35 -8.665 3.327 1.359
271 HG3 LYS 35 HG1 LYS 35 -9.445 2.978 -0.185
272 HD2 LYS 35 HD2 LYS 35 -10.906 2.102 1.454
273 HD3 LYS 35 HD1 LYS 35 -10.043 0.711 0.806
274 HE2 LYS 35 HE2 LYS 35 -10.115 0.449 3.163
275 HE3 LYS 35 HE1 LYS 35 -8.467 0.911 2.759
276 HZ1 LYS 35 HZ1 LYS 35 -10.560 2.767 3.749
277 HZ2 LYS 35 HZ2 LYS 35 -8.924 3.178 3.519
278 HZ3 LYS 35 HZ3 LYS 35 -9.364 2.082 4.693
279 H ARG 36 H ARG 36 -5.016 2.129 1.335
280 HA ARG 36 HA ARG 36 -5.389 4.435 2.937
281 HB2 ARG 36 HB2 ARG 36 -3.052 2.514 2.999
282 HB3 ARG 36 HB1 ARG 36 -3.481 3.656 4.268
283 HG2 ARG 36 HG2 ARG 36 -5.731 2.443 4.338
284 HG3 ARG 36 HG1 ARG 36 -4.942 1.203 3.386
285 HD2 ARG 36 HD2 ARG 36 -4.001 2.160 6.085
286 HD3 ARG 36 HD1 ARG 36 -4.939 0.706 5.796
287 HE ARG 36 HE ARG 36 -2.328 1.028 4.523
288 HH11 ARG 36 HH11 ARG 36 -4.450 -0.763 6.774
289 HH12 ARG 36 HH12 ARG 36 -3.292 -1.934 7.157
290 HH21 ARG 36 HH21 ARG 36 -0.715 -0.632 5.098
291 HH22 ARG 36 HH22 ARG 36 -1.156 -1.851 6.206
292 H LEU 37 H LEU 37 -3.131 3.630 0.433
293 HA LEU 37 HA LEU 37 -1.382 5.801 0.723
294 HB2 LEU 37 HB2 LEU 37 -0.985 3.715 -0.603
295 HB3 LEU 37 HB1 LEU 37 -2.172 4.246 -1.759
296 HG LEU 37 HG LEU 37 0.223 4.447 -2.471
297 HD11 LEU 37 HD11 LEU 37 -1.323 7.016 -2.442
298 HD12 LEU 37 HD12 LEU 37 -1.477 5.697 -3.606
299 HD13 LEU 37 HD13 LEU 37 0.023 6.614 -3.514
300 HD21 LEU 37 HD21 LEU 37 1.531 6.333 -1.639
301 HD22 LEU 37 HD22 LEU 37 1.198 5.151 -0.372
302 HD23 LEU 37 HD23 LEU 37 0.286 6.659 -0.434
303 H ARG 38 H ARG 38 -4.377 5.344 -1.098
304 HA ARG 38 HA ARG 38 -4.411 7.872 -2.394
305 HB2 ARG 38 HB2 ARG 38 -5.736 5.870 -3.098
306 HB3 ARG 38 HB1 ARG 38 -6.756 6.119 -1.695
307 HG2 ARG 38 HG2 ARG 38 -7.290 8.394 -2.578
308 HG3 ARG 38 HG1 ARG 38 -6.440 7.943 -4.060
309 HD2 ARG 38 HD2 ARG 38 -8.785 7.534 -4.363
310 HD3 ARG 38 HD1 ARG 38 -7.936 5.992 -4.255
311 HE ARG 38 HE ARG 38 -9.066 7.065 -1.813
312 HH11 ARG 38 HH11 ARG 38 -9.400 4.748 -4.468
313 HH12 ARG 38 HH12 ARG 38 -10.535 3.774 -3.656
314 HH21 ARG 38 HH21 ARG 38 -10.637 5.709 -0.690
315 HH22 ARG 38 HH22 ARG 38 -11.262 4.349 -1.485
316 H GLU 39 H GLU 39 -5.834 6.653 0.600
317 HA GLU 39 HA GLU 39 -7.332 8.916 1.309
318 HB2 GLU 39 HB2 GLU 39 -5.969 6.879 3.072
319 HB3 GLU 39 HB1 GLU 39 -7.098 8.085 3.661
320 HG2 GLU 39 HG2 GLU 39 -8.847 7.112 2.240
321 HG3 GLU 39 HG1 GLU 39 -7.702 5.881 1.704
322 H ARG 40 H ARG 40 -3.996 8.071 1.857
323 HA ARG 40 HA ARG 40 -3.275 10.248 3.474
324 HB2 ARG 40 HB2 ARG 40 -2.001 8.147 3.197
325 HB3 ARG 40 HB1 ARG 40 -1.593 8.626 1.564
326 HG2 ARG 40 HG2 ARG 40 -0.331 10.518 2.429
327 HG3 ARG 40 HG1 ARG 40 -0.778 10.070 4.074
328 HD2 ARG 40 HD2 ARG 40 0.294 7.880 3.746
329 HD3 ARG 40 HD1 ARG 40 0.824 8.394 2.147
330 HE ARG 40 HE ARG 40 1.930 10.274 3.507
331 HH11 ARG 40 HH11 ARG 40 1.663 6.877 4.493
332 HH12 ARG 40 HH12 ARG 40 3.047 6.896 5.473
333 HH21 ARG 40 HH21 ARG 40 3.829 10.306 4.836
334 HH22 ARG 40 HH22 ARG 40 4.308 8.914 5.709
335 H GLU 41 H GLU 41 -3.491 9.836 -0.017
336 HA GLU 41 HA GLU 41 -2.246 12.289 -0.760
337 HB2 GLU 41 HB2 GLU 41 -4.325 10.719 -2.284
338 HB3 GLU 41 HB1 GLU 41 -3.253 11.942 -2.953
339 HG2 GLU 41 HG2 GLU 41 -1.347 10.542 -2.412
340 HG3 GLU 41 HG1 GLU 41 -2.440 9.312 -1.776
341 H GLY 42 H GLY 42 -5.407 11.430 0.308
342 HA2 GLY 42 HA2 GLY 42 -6.606 13.952 -0.439
343 HA3 GLY 42 HA1 GLY 42 -7.347 12.697 0.551
344 H ARG 43 H ARG 43 -4.899 12.627 2.199
345 HA ARG 43 HA ARG 43 -5.686 14.581 4.141
346 HB2 ARG 43 HB2 ARG 43 -4.993 12.393 4.904
347 HB3 ARG 43 HB1 ARG 43 -3.437 12.568 4.110
348 HG2 ARG 43 HG2 ARG 43 -2.887 14.416 5.633
349 HG3 ARG 43 HG1 ARG 43 -4.429 14.178 6.455
350 HD2 ARG 43 HD2 ARG 43 -3.782 11.968 7.125
351 HD3 ARG 43 HD1 ARG 43 -2.298 12.072 6.173
352 HE ARG 43 HE ARG 43 -2.374 14.184 7.983
353 HH11 ARG 43 HH11 ARG 43 -2.062 10.659 8.037
354 HH12 ARG 43 HH12 ARG 43 -1.064 10.619 9.409
355 HH21 ARG 43 HH21 ARG 43 -0.992 14.147 9.872
356 HH22 ARG 43 HH22 ARG 43 -0.436 12.665 10.479
357 H ARG 44 H ARG 44 -2.800 14.036 2.137
358 HA ARG 44 HA ARG 44 -1.742 16.565 3.075
359 HB2 ARG 44 HB2 ARG 44 -0.210 14.605 2.851
360 HB3 ARG 44 HB1 ARG 44 -0.488 14.630 1.113
361 HG2 ARG 44 HG2 ARG 44 0.437 16.892 0.994
362 HG3 ARG 44 HG1 ARG 44 0.723 16.863 2.729
363 HD2 ARG 44 HD2 ARG 44 2.247 14.948 2.406
364 HD3 ARG 44 HD1 ARG 44 1.998 15.078 0.663
365 HE ARG 44 HE ARG 44 2.751 17.569 1.664
366 HH11 ARG 44 HH11 ARG 44 4.173 14.412 0.962
367 HH12 ARG 44 HH12 ARG 44 5.774 14.982 0.845
368 HH21 ARG 44 HH21 ARG 44 4.965 18.372 1.511
369 HH22 ARG 44 HH22 ARG 44 6.225 17.296 1.153
370 H GLU 45 H GLU 45 -1.634 18.353 1.914
371 HA GLU 45 HA GLU 45 -3.227 18.518 -0.484
372 HB2 GLU 45 HB2 GLU 45 -1.739 20.602 1.111
373 HB3 GLU 45 HB1 GLU 45 -2.759 20.951 -0.278
374 HG2 GLU 45 HG2 GLU 45 -3.667 19.696 2.301
375 HG3 GLU 45 HG1 GLU 45 -3.911 21.378 1.826
376 H VAL 46 H VAL 46 -2.277 19.942 -2.307
377 HA VAL 46 HA VAL 46 0.412 18.957 -2.863
378 HB VAL 46 HB VAL 46 -0.018 19.530 -5.265
379 HG11 VAL 46 HG11 VAL 46 -1.980 17.623 -4.013
380 HG12 VAL 46 HG12 VAL 46 -0.323 17.256 -4.495
381 HG13 VAL 46 3HG1 VAL 46 -1.532 17.652 -5.717
382 HG21 VAL 46 HG21 VAL 46 -2.308 19.958 -6.013
383 HG22 VAL 46 HG22 VAL 46 -1.753 21.235 -4.926
384 HG23 VAL 46 HG23 VAL 46 -2.854 19.991 -4.340
385 H ASP 47 H ASP 47 1.983 20.305 -3.776
386 HA ASP 47 HA ASP 47 1.633 23.145 -3.138
387 HB2 ASP 47 HB2 ASP 47 4.096 21.427 -2.697
388 HB3 ASP 47 HB1 ASP 47 4.020 23.165 -2.468
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 13.601 9.935 2.970
2 H3 PRO 1 HT2 PRO 1 13.924 10.479 4.473
3 HA PRO 1 HA PRO 1 13.782 12.466 3.901
4 HB2 PRO 1 HB2 PRO 1 14.983 12.256 1.211
5 HB3 PRO 1 HB1 PRO 1 15.322 13.414 2.505
6 HG2 PRO 1 HG2 PRO 1 16.988 11.356 1.928
7 HG3 PRO 1 HG1 PRO 1 16.805 12.023 3.558
8 HD2 PRO 1 HD2 PRO 1 15.787 9.457 2.445
9 HD3 PRO 1 HD1 PRO 1 16.209 9.874 4.112
10 H ARG 2 H ARG 2 12.780 13.729 1.897
11 HA ARG 2 HA ARG 2 11.090 14.057 0.420
12 HB2 ARG 2 HB2 ARG 2 11.118 11.072 -0.064
13 HB3 ARG 2 HB1 ARG 2 10.287 12.258 -1.040
14 HG2 ARG 2 HG2 ARG 2 12.443 13.174 -1.750
15 HG3 ARG 2 HG1 ARG 2 13.269 11.981 -0.740
16 HD2 ARG 2 HD2 ARG 2 11.483 11.425 -3.115
17 HD3 ARG 2 HD1 ARG 2 13.224 11.175 -3.023
18 HE ARG 2 HE ARG 2 11.856 9.719 -0.998
19 HH11 ARG 2 HH11 ARG 2 12.752 9.549 -4.421
20 HH12 ARG 2 HH12 ARG 2 12.510 7.878 -4.547
21 HH21 ARG 2 HH21 ARG 2 11.522 7.386 -1.181
22 HH22 ARG 2 HH22 ARG 2 11.809 6.626 -2.672
23 H GLY 3 H GLY 3 8.770 13.196 -0.055
24 HA2 GLY 3 HA2 GLY 3 7.602 12.117 2.410
25 HA3 GLY 3 HA1 GLY 3 6.787 13.277 1.345
26 H SER 4 H SER 4 8.107 10.049 1.531
27 HA SER 4 HA SER 4 7.028 9.356 -1.063
28 HB2 SER 4 HB2 SER 4 8.734 7.746 0.819
29 HB3 SER 4 HB1 SER 4 8.481 7.461 -0.902
30 HG SER 4 HG SER 4 9.369 9.563 -1.234
31 HA PRO 5 HA PRO 5 3.873 7.011 1.215
32 HB2 PRO 5 HB2 PRO 5 1.785 7.597 -0.393
33 HB3 PRO 5 HB1 PRO 5 2.342 8.685 0.877
34 HG2 PRO 5 HG2 PRO 5 2.565 8.962 -2.034
35 HG3 PRO 5 HG1 PRO 5 2.724 10.195 -0.776
36 HD2 PRO 5 HD2 PRO 5 4.809 8.784 -2.204
37 HD3 PRO 5 HD1 PRO 5 4.970 10.111 -1.036
38 H ARG 6 H ARG 6 4.971 6.882 -2.084
39 HA ARG 6 HA ARG 6 3.329 4.686 -2.918
40 HB2 ARG 6 HB2 ARG 6 5.894 5.744 -4.135
41 HB3 ARG 6 HB1 ARG 6 4.861 4.532 -4.865
42 HG2 ARG 6 HG2 ARG 6 3.026 6.129 -4.967
43 HG3 ARG 6 HG1 ARG 6 4.057 7.356 -4.231
44 HD2 ARG 6 HD2 ARG 6 5.556 7.272 -6.142
45 HD3 ARG 6 HD1 ARG 6 4.597 5.979 -6.863
46 HE ARG 6 HE ARG 6 2.875 8.064 -6.377
47 HH11 ARG 6 HH11 ARG 6 5.765 7.589 -8.405
48 HH12 ARG 6 HH12 ARG 6 5.243 8.649 -9.618
49 HH21 ARG 6 HH21 ARG 6 2.182 9.545 -8.094
50 HH22 ARG 6 HH22 ARG 6 3.190 9.758 -9.453
51 H THR 7 H THR 7 6.369 5.048 -1.342
52 HA THR 7 HA THR 7 7.286 2.410 -1.623
53 HB THR 7 HB THR 7 8.656 3.242 0.402
54 HG1 THR 7 HG1 THR 7 8.302 5.265 0.975
55 HG21 THR 7 HG21 THR 7 10.017 4.678 -1.094
56 HG22 THR 7 HG22 THR 7 8.681 4.679 -2.251
57 HG23 THR 7 HG23 THR 7 9.526 3.177 -1.878
58 H GLU 8 H GLU 8 5.305 4.175 0.693
59 HA GLU 8 HA GLU 8 5.141 2.217 2.725
60 HB2 GLU 8 HB2 GLU 8 3.134 4.321 1.897
61 HB3 GLU 8 HB1 GLU 8 3.037 3.380 3.373
62 HG2 GLU 8 HG2 GLU 8 5.108 4.385 4.158
63 HG3 GLU 8 HG1 GLU 8 5.230 5.302 2.654
64 H TYR 9 H TYR 9 3.092 2.973 -0.058
65 HA TYR 9 HA TYR 9 1.239 0.949 0.329
66 HB2 TYR 9 HB2 TYR 9 0.486 2.627 -1.053
67 HB3 TYR 9 HB1 TYR 9 2.039 2.814 -1.847
68 HD1 TYR 9 HD1 TYR 9 -0.981 0.692 -1.689
69 HD2 TYR 9 HD2 TYR 9 2.492 1.798 -3.750
70 HE1 TYR 9 HE1 TYR 9 -1.748 -0.631 -3.619
71 HE2 TYR 9 HE2 TYR 9 1.796 0.497 -5.723
72 HH TYR 9 HH TYR 9 -1.389 -0.718 -6.038
73 H GLU 10 H GLU 10 4.241 1.069 -1.547
74 HA GLU 10 HA GLU 10 4.050 -1.532 -2.594
75 HB2 GLU 10 HB2 GLU 10 5.567 0.165 -3.510
76 HB3 GLU 10 HB1 GLU 10 6.504 0.138 -2.026
77 HG2 GLU 10 HG2 GLU 10 7.153 -2.165 -2.458
78 HG3 GLU 10 HG1 GLU 10 6.157 -2.162 -3.916
79 H ALA 11 H ALA 11 5.552 -0.273 0.367
80 HA ALA 11 HA ALA 11 6.711 -2.628 1.299
81 HB1 ALA 11 HB1 ALA 11 7.175 -0.405 2.256
82 HB2 ALA 11 HB2 ALA 11 6.722 -1.574 3.494
83 HB3 ALA 11 HB3 ALA 11 5.552 -0.377 2.941
84 H CYS 12 H CYS 12 3.477 -1.356 1.678
85 HA CYS 12 HA CYS 12 2.391 -3.194 3.442
86 HB2 CYS 12 HB2 CYS 12 1.147 -1.235 2.716
87 HB3 CYS 12 HB1 CYS 12 1.117 -1.835 1.066
88 H ARG 13 H ARG 13 2.869 -3.440 -0.028
89 HA ARG 13 HA ARG 13 1.459 -5.873 -0.434
90 HB2 ARG 13 HB2 ARG 13 3.712 -4.673 -2.054
91 HB3 ARG 13 HB1 ARG 13 2.598 -5.913 -2.602
92 HG2 ARG 13 HG2 ARG 13 0.754 -4.345 -2.490
93 HG3 ARG 13 HG1 ARG 13 1.822 -3.103 -1.834
94 HD2 ARG 13 HD2 ARG 13 1.502 -2.702 -4.187
95 HD3 ARG 13 HD1 ARG 13 3.161 -3.223 -3.910
96 HE ARG 13 HE ARG 13 1.295 -5.314 -4.631
97 HH11 ARG 13 HH11 ARG 13 3.744 -3.037 -5.841
98 HH12 ARG 13 HH12 ARG 13 3.932 -3.850 -7.311
99 HH21 ARG 13 HH21 ARG 13 1.543 -6.359 -6.637
100 HH22 ARG 13 HH22 ARG 13 2.668 -5.789 -7.791
101 H VAL 14 H VAL 14 4.850 -5.025 -0.038
102 HA VAL 14 HA VAL 14 5.909 -7.639 -0.238
103 HB VAL 14 HB VAL 14 7.142 -5.249 1.155
104 HG11 VAL 14 HG11 VAL 14 8.423 -7.672 -0.103
105 HG12 VAL 14 HG12 VAL 14 8.301 -7.339 1.624
106 HG13 VAL 14 3HG1 VAL 14 9.282 -6.297 0.591
107 HG21 VAL 14 HG21 VAL 14 6.447 -4.660 -1.100
108 HG22 VAL 14 HG22 VAL 14 7.304 -6.059 -1.745
109 HG23 VAL 14 HG23 VAL 14 8.202 -4.743 -0.987
110 H ARG 15 H ARG 15 4.957 -5.652 2.515
111 HA ARG 15 HA ARG 15 5.852 -7.298 4.573
112 HB2 ARG 15 HB2 ARG 15 5.075 -5.000 4.954
113 HB3 ARG 15 HB1 ARG 15 3.443 -5.462 4.510
114 HG2 ARG 15 HG2 ARG 15 3.667 -5.241 6.922
115 HG3 ARG 15 HG1 ARG 15 3.311 -6.909 6.476
116 HD2 ARG 15 HD2 ARG 15 5.680 -7.471 6.702
117 HD3 ARG 15 HD1 ARG 15 6.035 -5.800 7.151
118 HE ARG 15 HE ARG 15 4.241 -6.429 8.978
119 HH11 ARG 15 HH11 ARG 15 7.071 -8.280 7.920
120 HH12 ARG 15 HH12 ARG 15 7.226 -9.101 9.415
121 HH21 ARG 15 HH21 ARG 15 4.502 -7.516 10.967
122 HH22 ARG 15 HH22 ARG 15 5.774 -8.664 11.174
123 H CYS 16 H CYS 16 2.671 -7.210 2.980
124 HA CYS 16 HA CYS 16 1.805 -9.477 4.451
125 HB2 CYS 16 HB2 CYS 16 0.598 -8.066 2.089
126 HB3 CYS 16 HB1 CYS 16 -0.165 -9.429 2.908
127 H GLN 17 H GLN 17 3.560 -9.102 1.546
128 HA GLN 17 HA GLN 17 3.048 -11.537 0.270
129 HB2 GLN 17 HB2 GLN 17 4.360 -9.624 -0.654
130 HB3 GLN 17 HB1 GLN 17 5.659 -10.021 0.452
131 HG2 GLN 17 HG2 GLN 17 5.939 -12.179 -0.659
132 HG3 GLN 17 HG1 GLN 17 4.629 -11.769 -1.768
133 HE21 GLN 17 1HE2 GLN 17 5.864 -11.803 -3.583
134 HE22 GLN 17 2HE2 GLN 17 7.075 -10.627 -3.940
135 H VAL 18 H VAL 18 5.314 -10.622 2.792
136 HA VAL 18 HA VAL 18 6.158 -13.373 3.064
137 HB VAL 18 HB VAL 18 7.919 -11.695 3.030
138 HG11 VAL 18 HG11 VAL 18 8.259 -10.093 4.842
139 HG12 VAL 18 HG12 VAL 18 6.707 -10.562 5.537
140 HG13 VAL 18 3HG1 VAL 18 6.765 -9.787 3.954
141 HG21 VAL 18 HG21 VAL 18 9.156 -12.337 5.043
142 HG22 VAL 18 HG22 VAL 18 8.346 -13.715 4.295
143 HG23 VAL 18 HG23 VAL 18 7.666 -12.972 5.743
144 H ALA 19 H ALA 19 4.431 -10.945 5.028
145 HA ALA 19 HA ALA 19 4.375 -12.646 7.326
146 HB1 ALA 19 HB1 ALA 19 2.777 -10.145 6.826
147 HB2 ALA 19 HB2 ALA 19 4.389 -10.200 7.537
148 HB3 ALA 19 HB3 ALA 19 3.027 -10.939 8.380
149 H GLU 20 H GLU 20 1.981 -11.829 4.855
150 HA GLU 20 HA GLU 20 -0.022 -13.419 6.195
151 HB2 GLU 20 HB2 GLU 20 -0.027 -12.055 3.503
152 HB3 GLU 20 HB1 GLU 20 -1.377 -12.985 4.136
153 HG2 GLU 20 HG2 GLU 20 -0.208 -10.511 5.392
154 HG3 GLU 20 HG1 GLU 20 -1.689 -10.581 4.433
155 H HIS 21 H HIS 21 1.883 -13.577 3.257
156 HA HIS 21 HA HIS 21 2.530 -15.231 1.898
157 HB2 HIS 21 HB2 HIS 21 3.573 -16.132 3.977
158 HB3 HIS 21 HB1 HIS 21 2.100 -17.018 4.322
159 HD1 HIS 21 HD1 HIS 21 1.996 -19.364 3.405
160 HD2 HIS 21 HD2 HIS 21 4.958 -17.078 1.607
161 HE1 HIS 21 HE1 HIS 21 3.324 -20.956 1.969
162 H GLY 22 H GLY 22 0.747 -14.873 0.597
163 HA2 GLY 22 HA2 GLY 22 -0.685 -17.015 -0.279
164 HA3 GLY 22 HA1 GLY 22 -1.719 -16.215 0.912
165 H VAL 23 H VAL 23 -1.925 -16.401 -2.057
166 HA VAL 23 HA VAL 23 -1.117 -13.951 -3.211
167 HB VAL 23 HB VAL 23 -3.299 -15.815 -4.193
168 HG11 VAL 23 HG11 VAL 23 -3.414 -13.634 -5.263
169 HG12 VAL 23 HG12 VAL 23 -2.836 -14.849 -6.405
170 HG13 VAL 23 3HG1 VAL 23 -1.700 -13.722 -5.666
171 HG21 VAL 23 HG21 VAL 23 -1.173 -16.992 -3.918
172 HG22 VAL 23 HG22 VAL 23 -0.363 -15.752 -4.875
173 HG23 VAL 23 HG23 VAL 23 -1.570 -16.790 -5.624
174 H GLU 24 H GLU 24 -4.287 -15.029 -1.993
175 HA GLU 24 HA GLU 24 -5.538 -12.592 -2.730
176 HB2 GLU 24 HB2 GLU 24 -6.927 -14.533 -2.562
177 HB3 GLU 24 HB1 GLU 24 -6.432 -14.816 -0.900
178 HG2 GLU 24 HG2 GLU 24 -7.533 -12.758 -0.216
179 HG3 GLU 24 HG1 GLU 24 -8.021 -12.463 -1.882
180 H ARG 25 H ARG 25 -4.161 -13.831 0.233
181 HA ARG 25 HA ARG 25 -5.019 -11.698 1.879
182 HB2 ARG 25 HB2 ARG 25 -2.668 -13.565 2.223
183 HB3 ARG 25 HB1 ARG 25 -3.255 -12.455 3.456
184 HG2 ARG 25 HG2 ARG 25 -5.358 -13.607 3.574
185 HG3 ARG 25 HG1 ARG 25 -4.907 -14.652 2.234
186 HD2 ARG 25 HD2 ARG 25 -4.637 -15.835 4.328
187 HD3 ARG 25 HD1 ARG 25 -3.064 -15.550 3.589
188 HE ARG 25 HE ARG 25 -3.505 -13.441 5.328
189 HH11 ARG 25 HH11 ARG 25 -3.120 -16.947 5.599
190 HH12 ARG 25 HH12 ARG 25 -2.489 -16.888 7.178
191 HH21 ARG 25 HH21 ARG 25 -2.656 -13.365 7.430
192 HH22 ARG 25 HH22 ARG 25 -2.230 -14.795 8.284
193 H GLN 26 H GLN 26 -2.152 -12.152 -0.078
194 HA GLN 26 HA GLN 26 -0.778 -9.816 0.760
195 HB2 GLN 26 HB2 GLN 26 0.285 -11.741 -0.377
196 HB3 GLN 26 HB1 GLN 26 -0.598 -11.340 -1.839
197 HG2 GLN 26 HG2 GLN 26 0.572 -9.186 -1.929
198 HG3 GLN 26 HG1 GLN 26 1.490 -9.646 -0.495
199 HE21 GLN 26 1HE2 GLN 26 2.471 -9.030 -3.110
200 HE22 GLN 26 2HE2 GLN 26 3.320 -10.418 -3.672
201 H ARG 27 H ARG 27 -2.941 -10.574 -1.943
202 HA ARG 27 HA ARG 27 -2.777 -7.985 -3.063
203 HB2 ARG 27 HB2 ARG 27 -3.334 -9.949 -4.410
204 HB3 ARG 27 HB1 ARG 27 -4.832 -10.143 -3.518
205 HG2 ARG 27 HG2 ARG 27 -5.753 -8.172 -4.457
206 HG3 ARG 27 HG1 ARG 27 -4.190 -7.677 -5.113
207 HD2 ARG 27 HD2 ARG 27 -5.747 -10.122 -5.935
208 HD3 ARG 27 HD1 ARG 27 -5.615 -8.618 -6.856
209 HE ARG 27 HE ARG 27 -3.061 -9.259 -6.466
210 HH11 ARG 27 HH11 ARG 27 -5.748 -11.130 -7.794
211 HH12 ARG 27 HH12 ARG 27 -4.748 -12.140 -8.724
212 HH21 ARG 27 HH21 ARG 27 -1.715 -10.611 -7.727
213 HH22 ARG 27 HH22 ARG 27 -2.389 -11.841 -8.683
214 H ARG 28 H ARG 28 -4.787 -9.451 -0.665
215 HA ARG 28 HA ARG 28 -6.813 -7.560 -0.493
216 HB2 ARG 28 HB2 ARG 28 -6.813 -9.684 0.790
217 HB3 ARG 28 HB1 ARG 28 -5.480 -9.090 1.764
218 HG2 ARG 28 HG2 ARG 28 -7.589 -8.925 2.972
219 HG3 ARG 28 HG1 ARG 28 -6.919 -7.324 2.662
220 HD2 ARG 28 HD2 ARG 28 -8.420 -7.065 0.756
221 HD3 ARG 28 HD1 ARG 28 -9.090 -8.669 1.057
222 HE ARG 28 HE ARG 28 -9.590 -7.551 3.362
223 HH11 ARG 28 HH11 ARG 28 -9.939 -6.133 0.135
224 HH12 ARG 28 HH12 ARG 28 -11.248 -5.136 0.551
225 HH21 ARG 28 HH21 ARG 28 -11.350 -6.157 3.963
226 HH22 ARG 28 HH22 ARG 28 -12.085 -5.134 2.809
227 H CYS 29 H CYS 29 -3.671 -7.700 1.206
228 HA CYS 29 HA CYS 29 -3.833 -5.202 2.419
229 HB2 CYS 29 HB2 CYS 29 -1.430 -6.733 1.446
230 HB3 CYS 29 HB1 CYS 29 -1.368 -5.333 2.505
231 H GLN 30 H GLN 30 -2.460 -6.190 -0.700
232 HA GLN 30 HA GLN 30 -1.438 -3.809 -1.639
233 HB2 GLN 30 HB2 GLN 30 -1.221 -5.974 -2.806
234 HB3 GLN 30 HB1 GLN 30 -2.931 -5.919 -3.203
235 HG2 GLN 30 HG2 GLN 30 -2.531 -3.913 -4.572
236 HG3 GLN 30 HG1 GLN 30 -0.810 -4.033 -4.212
237 HE21 GLN 30 1HE2 GLN 30 -3.468 -5.454 -5.931
238 HE22 GLN 30 2HE2 GLN 30 -2.528 -6.443 -6.970
239 H GLN 31 H GLN 31 -4.760 -5.002 -1.944
240 HA GLN 31 HA GLN 31 -5.710 -2.743 -3.374
241 HB2 GLN 31 HB2 GLN 31 -6.713 -5.016 -3.503
242 HB3 GLN 31 HB1 GLN 31 -7.292 -4.821 -1.856
243 HG2 GLN 31 HG2 GLN 31 -9.076 -4.391 -3.422
244 HG3 GLN 31 HG1 GLN 31 -8.647 -2.915 -2.558
245 HE21 GLN 31 1HE2 GLN 31 -6.805 -4.279 -5.220
246 HE22 GLN 31 2HE2 GLN 31 -7.098 -3.006 -6.328
247 H VAL 32 H VAL 32 -5.956 -3.706 0.058
248 HA VAL 32 HA VAL 32 -7.591 -1.554 0.867
249 HB VAL 32 HB VAL 32 -5.593 -3.157 2.514
250 HG11 VAL 32 HG11 VAL 32 -6.119 -1.019 3.607
251 HG12 VAL 32 HG12 VAL 32 -6.815 -2.381 4.487
252 HG13 VAL 32 3HG1 VAL 32 -7.841 -1.376 3.464
253 HG21 VAL 32 HG21 VAL 32 -7.573 -4.381 3.288
254 HG22 VAL 32 HG22 VAL 32 -7.353 -4.522 1.546
255 HG23 VAL 32 HG23 VAL 32 -8.579 -3.434 2.191
256 H CYS 33 H CYS 33 -4.082 -1.947 0.894
257 HA CYS 33 HA CYS 33 -3.576 0.634 1.896
258 HB2 CYS 33 HB2 CYS 33 -1.807 -1.335 0.454
259 HB3 CYS 33 HB1 CYS 33 -1.210 0.166 1.147
260 H GLU 34 H GLU 34 -4.108 -0.615 -1.328
261 HA GLU 34 HA GLU 34 -3.116 1.621 -2.734
262 HB2 GLU 34 HB2 GLU 34 -3.670 -0.665 -3.727
263 HB3 GLU 34 HB1 GLU 34 -5.350 -0.219 -3.582
264 HG2 GLU 34 HG2 GLU 34 -5.212 1.416 -5.219
265 HG3 GLU 34 HG1 GLU 34 -3.452 1.493 -5.123
266 H LYS 35 H LYS 35 -6.283 0.752 -1.468
267 HA LYS 35 HA LYS 35 -7.691 3.010 -2.335
268 HB2 LYS 35 HB2 LYS 35 -8.853 1.103 -1.357
269 HB3 LYS 35 HB1 LYS 35 -8.072 1.384 0.194
270 HG2 LYS 35 HG2 LYS 35 -9.212 3.566 0.351
271 HG3 LYS 35 HG1 LYS 35 -10.041 3.232 -1.163
272 HD2 LYS 35 HD2 LYS 35 -10.265 1.604 1.371
273 HD3 LYS 35 HD1 LYS 35 -11.446 2.782 0.808
274 HE2 LYS 35 HE2 LYS 35 -11.813 1.436 -1.207
275 HE3 LYS 35 HE1 LYS 35 -10.638 0.255 -0.627
276 HZ1 LYS 35 HZ1 LYS 35 -12.871 -0.478 -0.124
277 HZ2 LYS 35 HZ2 LYS 35 -13.203 0.981 0.648
278 HZ3 LYS 35 HZ3 LYS 35 -12.082 -0.083 1.322
279 H ARG 36 H ARG 36 -6.069 2.404 0.753
280 HA ARG 36 HA ARG 36 -6.506 4.907 1.916
281 HB2 ARG 36 HB2 ARG 36 -4.259 2.957 2.369
282 HB3 ARG 36 HB1 ARG 36 -4.592 4.342 3.397
283 HG2 ARG 36 HG2 ARG 36 -6.775 3.435 3.947
284 HG3 ARG 36 HG1 ARG 36 -6.480 2.052 2.889
285 HD2 ARG 36 HD2 ARG 36 -6.052 1.491 5.228
286 HD3 ARG 36 HD1 ARG 36 -4.580 1.402 4.257
287 HE ARG 36 HE ARG 36 -5.103 3.881 5.685
288 HH11 ARG 36 HH11 ARG 36 -3.321 0.813 5.649
289 HH12 ARG 36 HH12 ARG 36 -2.070 1.392 6.642
290 HH21 ARG 36 HH21 ARG 36 -3.431 4.630 7.057
291 HH22 ARG 36 HH22 ARG 36 -2.140 3.596 7.509
292 H LEU 37 H LEU 37 -3.935 3.827 -0.194
293 HA LEU 37 HA LEU 37 -2.243 6.047 0.017
294 HB2 LEU 37 HB2 LEU 37 -1.646 3.818 -0.937
295 HB3 LEU 37 HB1 LEU 37 -2.690 4.118 -2.288
296 HG LEU 37 HG LEU 37 -0.204 4.296 -2.690
297 HD11 LEU 37 HD11 LEU 37 -1.773 5.169 -4.270
298 HD12 LEU 37 HD12 LEU 37 -0.342 6.193 -4.149
299 HD13 LEU 37 HD13 LEU 37 -1.857 6.701 -3.386
300 HD21 LEU 37 HD21 LEU 37 0.407 5.476 -0.661
301 HD22 LEU 37 HD22 LEU 37 -0.529 6.880 -1.179
302 HD23 LEU 37 HD23 LEU 37 0.894 6.382 -2.092
303 H ARG 38 H ARG 38 -4.916 5.311 -2.177
304 HA ARG 38 HA ARG 38 -4.720 7.765 -3.603
305 HB2 ARG 38 HB2 ARG 38 -7.049 5.866 -3.411
306 HB3 ARG 38 HB1 ARG 38 -6.918 7.195 -4.551
307 HG2 ARG 38 HG2 ARG 38 -4.907 6.117 -5.501
308 HG3 ARG 38 HG1 ARG 38 -5.173 4.756 -4.412
309 HD2 ARG 38 HD2 ARG 38 -7.038 5.743 -6.555
310 HD3 ARG 38 HD1 ARG 38 -6.077 4.271 -6.594
311 HE ARG 38 HE ARG 38 -8.169 4.707 -4.580
312 HH11 ARG 38 HH11 ARG 38 -6.677 2.671 -7.058
313 HH12 ARG 38 HH12 ARG 38 -7.797 1.406 -6.923
314 HH21 ARG 38 HH21 ARG 38 -9.760 2.952 -4.400
315 HH22 ARG 38 HH22 ARG 38 -9.599 1.574 -5.386
316 H GLU 39 H GLU 39 -6.598 6.682 -0.844
317 HA GLU 39 HA GLU 39 -8.261 8.936 -0.607
318 HB2 GLU 39 HB2 GLU 39 -7.157 7.199 1.599
319 HB3 GLU 39 HB1 GLU 39 -8.510 8.306 1.763
320 HG2 GLU 39 HG2 GLU 39 -8.417 5.835 0.045
321 HG3 GLU 39 HG1 GLU 39 -9.283 6.019 1.566
322 H ARG 40 H ARG 40 -5.015 8.274 0.528
323 HA ARG 40 HA ARG 40 -4.683 10.614 2.050
324 HB2 ARG 40 HB2 ARG 40 -3.150 8.686 2.197
325 HB3 ARG 40 HB1 ARG 40 -2.564 9.042 0.575
326 HG2 ARG 40 HG2 ARG 40 -1.852 11.285 1.399
327 HG3 ARG 40 HG1 ARG 40 -2.285 10.759 3.023
328 HD2 ARG 40 HD2 ARG 40 -0.229 9.471 1.244
329 HD3 ARG 40 HD1 ARG 40 0.086 10.558 2.595
330 HE ARG 40 HE ARG 40 -1.455 8.331 3.411
331 HH11 ARG 40 HH11 ARG 40 1.860 9.322 2.618
332 HH12 ARG 40 HH12 ARG 40 2.574 8.046 3.503
333 HH21 ARG 40 HH21 ARG 40 -0.436 6.687 4.699
334 HH22 ARG 40 HH22 ARG 40 1.279 6.570 4.696
335 H GLU 41 H GLU 41 -4.200 9.944 -1.379
336 HA GLU 41 HA GLU 41 -3.095 12.568 -1.782
337 HB2 GLU 41 HB2 GLU 41 -3.928 10.531 -3.843
338 HB3 GLU 41 HB1 GLU 41 -3.025 12.006 -4.169
339 HG2 GLU 41 HG2 GLU 41 -1.269 11.137 -2.581
340 HG3 GLU 41 HG1 GLU 41 -2.132 9.603 -2.607
341 H GLY 42 H GLY 42 -6.200 11.053 -2.227
342 HA2 GLY 42 HA2 GLY 42 -7.298 13.250 -3.689
343 HA3 GLY 42 HA1 GLY 42 -8.173 11.874 -3.042
344 H ARG 43 H ARG 43 -7.535 12.198 -0.295
345 HA ARG 43 HA ARG 43 -9.400 14.369 0.197
346 HB2 ARG 43 HB2 ARG 43 -8.353 12.320 2.149
347 HB3 ARG 43 HB1 ARG 43 -9.678 13.441 2.433
348 HG2 ARG 43 HG2 ARG 43 -10.921 12.359 0.576
349 HG3 ARG 43 HG1 ARG 43 -9.616 11.179 0.449
350 HD2 ARG 43 HD2 ARG 43 -10.009 10.611 2.850
351 HD3 ARG 43 HD1 ARG 43 -11.430 11.654 2.808
352 HE ARG 43 HE ARG 43 -11.080 9.211 1.186
353 HH11 ARG 43 HH11 ARG 43 -13.300 11.489 2.778
354 HH12 ARG 43 HH12 ARG 43 -14.657 10.516 2.503
355 HH21 ARG 43 HH21 ARG 43 -12.824 7.970 0.869
356 HH22 ARG 43 HH22 ARG 43 -14.409 8.388 1.412
357 H ARG 44 H ARG 44 -6.122 14.214 0.097
358 HA ARG 44 HA ARG 44 -5.856 16.366 2.093
359 HB2 ARG 44 HB2 ARG 44 -3.748 14.353 1.281
360 HB3 ARG 44 HB1 ARG 44 -3.510 15.691 2.389
361 HG2 ARG 44 HG2 ARG 44 -5.040 14.669 3.972
362 HG3 ARG 44 HG1 ARG 44 -5.345 13.344 2.845
363 HD2 ARG 44 HD2 ARG 44 -2.954 12.757 2.921
364 HD3 ARG 44 HD1 ARG 44 -2.677 14.036 4.092
365 HE ARG 44 HE ARG 44 -4.706 12.281 4.975
366 HH11 ARG 44 HH11 ARG 44 -1.162 12.552 4.751
367 HH12 ARG 44 HH12 ARG 44 -0.835 11.437 5.974
368 HH21 ARG 44 HH21 ARG 44 -4.260 10.744 6.709
369 HH22 ARG 44 HH22 ARG 44 -2.647 10.359 7.112
370 H GLU 45 H GLU 45 -3.665 17.610 1.481
371 HA GLU 45 HA GLU 45 -4.082 18.589 -1.173
372 HB2 GLU 45 HB2 GLU 45 -1.907 19.232 0.829
373 HB3 GLU 45 HB1 GLU 45 -2.137 20.059 -0.698
374 HG2 GLU 45 HG2 GLU 45 -4.018 20.041 1.646
375 HG3 GLU 45 HG1 GLU 45 -3.038 21.391 1.075
376 H VAL 46 H VAL 46 -2.384 18.716 -2.754
377 HA VAL 46 HA VAL 46 -1.152 16.195 -3.198
378 HB VAL 46 HB VAL 46 -0.789 18.805 -4.699
379 HG11 VAL 46 HG11 VAL 46 -0.093 17.393 -6.577
380 HG12 VAL 46 HG12 VAL 46 -0.214 15.971 -5.544
381 HG13 VAL 46 3HG1 VAL 46 0.982 17.219 -5.188
382 HG21 VAL 46 HG21 VAL 46 -2.704 16.534 -5.213
383 HG22 VAL 46 HG22 VAL 46 -2.457 17.919 -6.274
384 HG23 VAL 46 HG23 VAL 46 -3.132 18.153 -4.661
385 H ASP 47 H ASP 47 0.575 15.636 -2.067
386 HA ASP 47 HA ASP 47 2.988 17.103 -2.118
387 HB2 ASP 47 HB2 ASP 47 1.945 18.311 -0.256
388 HB3 ASP 47 HB1 ASP 47 1.585 16.798 0.560
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 4.078 17.401 2.327
2 H3 PRO 1 HT2 PRO 1 4.847 18.822 2.418
3 HA PRO 1 HA PRO 1 6.293 18.180 3.865
4 HB2 PRO 1 HB2 PRO 1 5.060 15.808 4.969
5 HB3 PRO 1 HB1 PRO 1 5.649 17.242 5.815
6 HG2 PRO 1 HG2 PRO 1 2.923 16.598 4.981
7 HG3 PRO 1 HG1 PRO 1 3.481 17.842 6.108
8 HD2 PRO 1 HD2 PRO 1 2.432 18.430 3.655
9 HD3 PRO 1 HD1 PRO 1 3.650 19.447 4.445
10 H ARG 2 H ARG 2 7.275 15.705 4.236
11 HA ARG 2 HA ARG 2 7.447 14.685 1.511
12 HB2 ARG 2 HB2 ARG 2 9.185 14.108 3.915
13 HB3 ARG 2 HB1 ARG 2 9.465 13.512 2.290
14 HG2 ARG 2 HG2 ARG 2 9.692 15.893 1.549
15 HG3 ARG 2 HG1 ARG 2 9.612 16.352 3.248
16 HD2 ARG 2 HD2 ARG 2 11.919 16.196 2.569
17 HD3 ARG 2 HD1 ARG 2 11.550 14.914 3.715
18 HE ARG 2 HE ARG 2 11.627 14.488 0.804
19 HH11 ARG 2 HH11 ARG 2 12.345 13.345 4.077
20 HH12 ARG 2 HH12 ARG 2 13.308 12.036 3.572
21 HH21 ARG 2 HH21 ARG 2 12.933 12.659 0.107
22 HH22 ARG 2 HH22 ARG 2 13.656 11.624 1.256
23 H GLY 3 H GLY 3 8.098 12.162 1.723
24 HA2 GLY 3 HA2 GLY 3 7.436 10.155 2.973
25 HA3 GLY 3 HA1 GLY 3 5.859 10.924 3.177
26 H SER 4 H SER 4 7.604 8.814 1.290
27 HA SER 4 HA SER 4 6.339 9.520 -1.181
28 HB2 SER 4 HB2 SER 4 8.608 8.640 -1.292
29 HB3 SER 4 HB1 SER 4 8.093 7.166 -0.477
30 HG SER 4 HG SER 4 8.059 7.722 -3.057
31 HA PRO 5 HA PRO 5 2.790 6.963 -0.385
32 HB2 PRO 5 HB2 PRO 5 1.635 7.269 -2.820
33 HB3 PRO 5 HB1 PRO 5 1.582 8.533 -1.588
34 HG2 PRO 5 HG2 PRO 5 3.363 8.287 -3.977
35 HG3 PRO 5 HG1 PRO 5 2.560 9.727 -3.324
36 HD2 PRO 5 HD2 PRO 5 5.176 9.153 -2.897
37 HD3 PRO 5 HD1 PRO 5 4.184 10.066 -1.740
38 H ARG 6 H ARG 6 5.216 6.590 -2.777
39 HA ARG 6 HA ARG 6 4.121 4.160 -3.841
40 HB2 ARG 6 HB2 ARG 6 5.436 5.794 -5.214
41 HB3 ARG 6 HB1 ARG 6 6.863 5.331 -4.308
42 HG2 ARG 6 HG2 ARG 6 6.713 4.222 -6.514
43 HG3 ARG 6 HG1 ARG 6 6.744 3.081 -5.169
44 HD2 ARG 6 HD2 ARG 6 5.086 2.530 -6.960
45 HD3 ARG 6 HD1 ARG 6 4.391 2.674 -5.351
46 HE ARG 6 HE ARG 6 4.218 5.148 -6.626
47 HH11 ARG 6 HH11 ARG 6 2.849 1.876 -7.094
48 HH12 ARG 6 HH12 ARG 6 1.343 2.458 -7.642
49 HH21 ARG 6 HH21 ARG 6 2.102 5.908 -7.376
50 HH22 ARG 6 HH22 ARG 6 0.921 4.793 -7.832
51 H THR 7 H THR 7 6.855 5.103 -1.750
52 HA THR 7 HA THR 7 7.617 2.428 -1.277
53 HB THR 7 HB THR 7 8.869 3.417 0.690
54 HG1 THR 7 HG1 THR 7 7.550 5.156 1.127
55 HG21 THR 7 HG21 THR 7 9.241 4.759 -1.987
56 HG22 THR 7 HG22 THR 7 9.913 3.197 -1.517
57 HG23 THR 7 HG23 THR 7 10.455 4.670 -0.710
58 H GLU 8 H GLU 8 5.366 4.640 0.224
59 HA GLU 8 HA GLU 8 4.691 3.321 2.576
60 HB2 GLU 8 HB2 GLU 8 3.858 5.554 1.901
61 HB3 GLU 8 HB1 GLU 8 2.903 4.805 0.636
62 HG2 GLU 8 HG2 GLU 8 1.519 5.427 2.529
63 HG3 GLU 8 HG1 GLU 8 1.542 3.679 2.310
64 H TYR 9 H TYR 9 3.388 2.933 -0.724
65 HA TYR 9 HA TYR 9 1.558 0.931 -0.105
66 HB2 TYR 9 HB2 TYR 9 1.146 2.255 -1.952
67 HB3 TYR 9 HB1 TYR 9 2.783 2.102 -2.580
68 HD1 TYR 9 HD1 TYR 9 3.425 0.164 -3.670
69 HD2 TYR 9 HD2 TYR 9 -0.499 0.686 -2.418
70 HE1 TYR 9 HE1 TYR 9 2.772 -1.711 -5.172
71 HE2 TYR 9 HE2 TYR 9 -1.275 -1.196 -3.878
72 HH TYR 9 HH TYR 9 -0.405 -2.237 -5.989
73 H GLU 10 H GLU 10 4.765 0.932 -1.611
74 HA GLU 10 HA GLU 10 5.004 -1.755 -2.145
75 HB2 GLU 10 HB2 GLU 10 6.498 0.000 -2.992
76 HB3 GLU 10 HB1 GLU 10 7.193 0.178 -1.389
77 HG2 GLU 10 HG2 GLU 10 8.060 -2.089 -1.502
78 HG3 GLU 10 HG1 GLU 10 7.318 -2.300 -3.088
79 H ALA 11 H ALA 11 6.113 -0.032 0.781
80 HA ALA 11 HA ALA 11 7.110 -2.258 2.149
81 HB1 ALA 11 HB1 ALA 11 7.517 0.066 2.856
82 HB2 ALA 11 HB2 ALA 11 6.890 -0.913 4.182
83 HB3 ALA 11 HB3 ALA 11 5.826 0.209 3.333
84 H CYS 12 H CYS 12 3.898 -0.863 2.086
85 HA CYS 12 HA CYS 12 2.640 -2.453 4.009
86 HB2 CYS 12 HB2 CYS 12 1.659 -0.397 3.124
87 HB3 CYS 12 HB1 CYS 12 1.559 -1.100 1.522
88 H ARG 13 H ARG 13 2.997 -2.888 0.502
89 HA ARG 13 HA ARG 13 1.498 -5.271 0.377
90 HB2 ARG 13 HB2 ARG 13 1.600 -3.789 -1.504
91 HB3 ARG 13 HB1 ARG 13 3.350 -3.896 -1.554
92 HG2 ARG 13 HG2 ARG 13 3.234 -6.182 -2.220
93 HG3 ARG 13 HG1 ARG 13 1.471 -6.172 -2.064
94 HD2 ARG 13 HD2 ARG 13 1.271 -4.568 -3.848
95 HD3 ARG 13 HD1 ARG 13 3.020 -4.378 -3.934
96 HE ARG 13 HE ARG 13 2.696 -6.990 -4.370
97 HH11 ARG 13 HH11 ARG 13 1.091 -4.185 -5.889
98 HH12 ARG 13 HH12 ARG 13 1.012 -4.908 -7.420
99 HH21 ARG 13 HH21 ARG 13 2.589 -7.937 -6.490
100 HH22 ARG 13 HH22 ARG 13 1.882 -7.088 -7.784
101 H VAL 14 H VAL 14 5.001 -4.591 0.267
102 HA VAL 14 HA VAL 14 5.821 -7.247 -0.105
103 HB VAL 14 HB VAL 14 7.357 -4.953 1.176
104 HG11 VAL 14 HG11 VAL 14 8.400 -7.599 0.136
105 HG12 VAL 14 HG12 VAL 14 8.341 -7.109 1.828
106 HG13 VAL 14 3HG1 VAL 14 9.391 -6.253 0.699
107 HG21 VAL 14 HG21 VAL 14 8.441 -4.772 -1.006
108 HG22 VAL 14 HG22 VAL 14 6.697 -4.546 -1.139
109 HG23 VAL 14 HG23 VAL 14 7.430 -6.077 -1.619
110 H ARG 15 H ARG 15 5.360 -5.390 2.892
111 HA ARG 15 HA ARG 15 6.271 -7.484 4.537
112 HB2 ARG 15 HB2 ARG 15 4.491 -5.141 5.208
113 HB3 ARG 15 HB1 ARG 15 5.103 -6.269 6.411
114 HG2 ARG 15 HG2 ARG 15 7.396 -5.662 5.833
115 HG3 ARG 15 HG1 ARG 15 6.797 -4.555 4.600
116 HD2 ARG 15 HD2 ARG 15 5.630 -3.283 6.380
117 HD3 ARG 15 HD1 ARG 15 6.360 -4.353 7.577
118 HE ARG 15 HE ARG 15 8.476 -3.455 6.167
119 HH11 ARG 15 HH11 ARG 15 5.910 -1.848 8.005
120 HH12 ARG 15 HH12 ARG 15 6.805 -0.422 8.273
121 HH21 ARG 15 HH21 ARG 15 9.713 -1.462 6.541
122 HH22 ARG 15 HH22 ARG 15 8.990 -0.181 7.390
123 H CYS 16 H CYS 16 3.054 -6.780 3.258
124 HA CYS 16 HA CYS 16 1.836 -8.882 4.702
125 HB2 CYS 16 HB2 CYS 16 1.035 -7.442 2.199
126 HB3 CYS 16 HB1 CYS 16 0.141 -8.854 2.749
127 H GLN 17 H GLN 17 3.585 -8.832 1.661
128 HA GLN 17 HA GLN 17 2.889 -11.482 0.948
129 HB2 GLN 17 HB2 GLN 17 3.785 -9.798 -0.639
130 HB3 GLN 17 HB1 GLN 17 5.336 -9.879 0.178
131 HG2 GLN 17 HG2 GLN 17 5.455 -11.165 -1.830
132 HG3 GLN 17 HG1 GLN 17 5.495 -12.262 -0.457
133 HE21 GLN 17 1HE2 GLN 17 4.817 -12.703 -3.214
134 HE22 GLN 17 2HE2 GLN 17 3.225 -13.360 -3.249
135 H VAL 18 H VAL 18 5.249 -10.112 3.066
136 HA VAL 18 HA VAL 18 6.718 -12.559 3.449
137 HB VAL 18 HB VAL 18 6.738 -10.028 5.130
138 HG11 VAL 18 HG11 VAL 18 8.670 -12.338 5.077
139 HG12 VAL 18 HG12 VAL 18 7.552 -11.951 6.384
140 HG13 VAL 18 3HG1 VAL 18 8.877 -10.851 5.998
141 HG21 VAL 18 HG21 VAL 18 8.825 -9.499 3.979
142 HG22 VAL 18 HG22 VAL 18 7.480 -9.618 2.843
143 HG23 VAL 18 HG23 VAL 18 8.641 -10.940 2.980
144 H ALA 19 H ALA 19 4.332 -10.723 5.342
145 HA ALA 19 HA ALA 19 4.370 -12.692 7.446
146 HB1 ALA 19 HB1 ALA 19 4.217 -10.315 7.950
147 HB2 ALA 19 HB2 ALA 19 2.864 -11.233 8.616
148 HB3 ALA 19 HB3 ALA 19 2.639 -10.260 7.162
149 H GLU 20 H GLU 20 2.005 -11.697 4.995
150 HA GLU 20 HA GLU 20 0.018 -13.528 6.036
151 HB2 GLU 20 HB2 GLU 20 0.065 -11.878 3.501
152 HB3 GLU 20 HB1 GLU 20 -1.308 -12.805 4.084
153 HG2 GLU 20 HG2 GLU 20 -0.038 -10.522 5.569
154 HG3 GLU 20 HG1 GLU 20 -1.450 -10.373 4.525
155 H HIS 21 H HIS 21 1.753 -13.116 3.014
156 HA HIS 21 HA HIS 21 2.602 -14.487 1.471
157 HB2 HIS 21 HB2 HIS 21 3.756 -15.426 3.548
158 HB3 HIS 21 HB1 HIS 21 2.545 -16.698 3.536
159 HD1 HIS 21 HD1 HIS 21 5.859 -15.968 2.341
160 HD2 HIS 21 HD2 HIS 21 2.641 -18.211 0.979
161 HE1 HIS 21 HE1 HIS 21 6.796 -17.566 0.643
162 H GLY 22 H GLY 22 0.988 -14.522 0.066
163 HA2 GLY 22 HA2 GLY 22 -0.123 -16.772 -0.912
164 HA3 GLY 22 HA1 GLY 22 -1.265 -16.284 0.341
165 H VAL 23 H VAL 23 -1.675 -16.358 -2.549
166 HA VAL 23 HA VAL 23 -1.518 -13.688 -3.543
167 HB VAL 23 HB VAL 23 -3.141 -16.022 -4.611
168 HG11 VAL 23 HG11 VAL 23 -2.323 -13.444 -5.959
169 HG12 VAL 23 HG12 VAL 23 -3.958 -13.883 -5.466
170 HG13 VAL 23 3HG1 VAL 23 -3.145 -14.795 -6.739
171 HG21 VAL 23 HG21 VAL 23 -0.752 -16.508 -4.532
172 HG22 VAL 23 HG22 VAL 23 -0.420 -15.019 -5.416
173 HG23 VAL 23 HG23 VAL 23 -1.313 -16.325 -6.194
174 H GLU 24 H GLU 24 -4.068 -15.654 -2.071
175 HA GLU 24 HA GLU 24 -6.170 -13.846 -2.634
176 HB2 GLU 24 HB2 GLU 24 -6.362 -16.287 -2.023
177 HB3 GLU 24 HB1 GLU 24 -5.984 -15.823 -0.369
178 HG2 GLU 24 HG2 GLU 24 -8.299 -16.072 -0.531
179 HG3 GLU 24 HG1 GLU 24 -7.951 -14.339 -0.417
180 H ARG 25 H ARG 25 -3.960 -14.360 0.021
181 HA ARG 25 HA ARG 25 -5.063 -12.341 1.698
182 HB2 ARG 25 HB2 ARG 25 -2.338 -13.643 1.773
183 HB3 ARG 25 HB1 ARG 25 -2.990 -12.575 3.011
184 HG2 ARG 25 HG2 ARG 25 -4.775 -14.146 3.472
185 HG3 ARG 25 HG1 ARG 25 -4.191 -15.212 2.196
186 HD2 ARG 25 HD2 ARG 25 -2.076 -15.481 3.404
187 HD3 ARG 25 HD1 ARG 25 -2.677 -14.422 4.679
188 HE ARG 25 HE ARG 25 -4.560 -16.296 4.600
189 HH11 ARG 25 HH11 ARG 25 -1.015 -16.568 4.789
190 HH12 ARG 25 HH12 ARG 25 -1.072 -18.056 5.601
191 HH21 ARG 25 HH21 ARG 25 -4.569 -18.360 5.711
192 HH22 ARG 25 HH22 ARG 25 -3.086 -19.074 6.151
193 H GLN 26 H GLN 26 -2.573 -12.419 -0.764
194 HA GLN 26 HA GLN 26 -1.483 -9.870 -0.346
195 HB2 GLN 26 HB2 GLN 26 -0.439 -11.514 -1.859
196 HB3 GLN 26 HB1 GLN 26 -1.813 -11.385 -2.946
197 HG2 GLN 26 HG2 GLN 26 -1.264 -9.009 -3.317
198 HG3 GLN 26 HG1 GLN 26 0.152 -9.198 -2.289
199 HE21 GLN 26 1HE2 GLN 26 -0.076 -8.462 -5.116
200 HE22 GLN 26 2HE2 GLN 26 0.901 -9.628 -5.949
201 H ARG 27 H ARG 27 -4.159 -10.996 -2.335
202 HA ARG 27 HA ARG 27 -4.958 -8.639 -3.569
203 HB2 ARG 27 HB2 ARG 27 -6.655 -10.899 -2.536
204 HB3 ARG 27 HB1 ARG 27 -7.250 -9.649 -3.616
205 HG2 ARG 27 HG2 ARG 27 -5.741 -10.379 -5.338
206 HG3 ARG 27 HG1 ARG 27 -5.004 -11.554 -4.242
207 HD2 ARG 27 HD2 ARG 27 -7.218 -12.662 -4.047
208 HD3 ARG 27 HD1 ARG 27 -7.847 -11.529 -5.238
209 HE ARG 27 HE ARG 27 -5.866 -12.496 -6.604
210 HH11 ARG 27 HH11 ARG 27 -8.067 -14.329 -4.486
211 HH12 ARG 27 HH12 ARG 27 -8.040 -15.720 -5.462
212 HH21 ARG 27 HH21 ARG 27 -5.837 -14.458 -7.912
213 HH22 ARG 27 HH22 ARG 27 -6.729 -15.815 -7.413
214 H ARG 28 H ARG 28 -5.630 -9.758 -0.327
215 HA ARG 28 HA ARG 28 -7.573 -7.810 0.384
216 HB2 ARG 28 HB2 ARG 28 -5.613 -9.260 2.164
217 HB3 ARG 28 HB1 ARG 28 -7.067 -8.431 2.699
218 HG2 ARG 28 HG2 ARG 28 -8.446 -10.028 1.541
219 HG3 ARG 28 HG1 ARG 28 -7.017 -10.808 0.862
220 HD2 ARG 28 HD2 ARG 28 -6.269 -11.323 3.170
221 HD3 ARG 28 HD1 ARG 28 -7.787 -10.656 3.769
222 HE ARG 28 HE ARG 28 -8.605 -12.444 1.967
223 HH11 ARG 28 HH11 ARG 28 -6.419 -12.722 4.758
224 HH12 ARG 28 HH12 ARG 28 -6.767 -14.352 5.024
225 HH21 ARG 28 HH21 ARG 28 -9.048 -14.698 2.361
226 HH22 ARG 28 HH22 ARG 28 -8.287 -15.492 3.663
227 H CYS 29 H CYS 29 -4.128 -8.068 1.264
228 HA CYS 29 HA CYS 29 -3.931 -5.513 2.342
229 HB2 CYS 29 HB2 CYS 29 -1.877 -7.398 1.252
230 HB3 CYS 29 HB1 CYS 29 -1.450 -5.826 1.904
231 H GLN 30 H GLN 30 -3.340 -6.665 -0.946
232 HA GLN 30 HA GLN 30 -1.999 -4.463 -1.954
233 HB2 GLN 30 HB2 GLN 30 -2.333 -6.728 -3.025
234 HB3 GLN 30 HB1 GLN 30 -3.933 -6.186 -3.496
235 HG2 GLN 30 HG2 GLN 30 -2.962 -4.429 -4.856
236 HG3 GLN 30 HG1 GLN 30 -1.343 -4.899 -4.335
237 HE21 GLN 30 1HE2 GLN 30 -4.047 -5.701 -6.342
238 HE22 GLN 30 2HE2 GLN 30 -3.276 -6.956 -7.222
239 H GLN 31 H GLN 31 -5.484 -5.045 -1.674
240 HA GLN 31 HA GLN 31 -6.156 -2.645 -3.065
241 HB2 GLN 31 HB2 GLN 31 -7.868 -4.404 -1.302
242 HB3 GLN 31 HB1 GLN 31 -8.471 -3.084 -2.298
243 HG2 GLN 31 HG2 GLN 31 -7.103 -5.576 -3.286
244 HG3 GLN 31 HG1 GLN 31 -8.824 -5.221 -3.390
245 HE21 GLN 31 1HE2 GLN 31 -6.817 -5.752 -5.474
246 HE22 GLN 31 2HE2 GLN 31 -6.859 -4.391 -6.526
247 H VAL 32 H VAL 32 -5.782 -3.533 0.305
248 HA VAL 32 HA VAL 32 -6.703 -1.078 1.392
249 HB VAL 32 HB VAL 32 -4.671 -3.012 2.570
250 HG11 VAL 32 HG11 VAL 32 -5.300 -2.064 4.743
251 HG12 VAL 32 HG12 VAL 32 -6.365 -0.917 3.933
252 HG13 VAL 32 3HG1 VAL 32 -4.623 -0.832 3.677
253 HG21 VAL 32 HG21 VAL 32 -6.545 -3.980 3.792
254 HG22 VAL 32 HG22 VAL 32 -6.806 -4.098 2.051
255 HG23 VAL 32 HG23 VAL 32 -7.652 -2.869 2.992
256 H CYS 33 H CYS 33 -3.502 -2.276 0.533
257 HA CYS 33 HA CYS 33 -2.034 0.005 1.255
258 HB2 CYS 33 HB2 CYS 33 -1.351 -1.997 -0.918
259 HB3 CYS 33 HB1 CYS 33 -0.226 -0.919 -0.108
260 H GLU 34 H GLU 34 -3.555 -0.961 -1.835
261 HA GLU 34 HA GLU 34 -2.700 1.212 -3.395
262 HB2 GLU 34 HB2 GLU 34 -3.640 -0.835 -4.341
263 HB3 GLU 34 HB1 GLU 34 -5.173 -0.520 -3.560
264 HG2 GLU 34 HG2 GLU 34 -5.315 -0.049 -5.917
265 HG3 GLU 34 HG1 GLU 34 -5.491 1.432 -4.986
266 H LYS 35 H LYS 35 -5.540 0.749 -1.333
267 HA LYS 35 HA LYS 35 -6.817 3.169 -1.966
268 HB2 LYS 35 HB2 LYS 35 -7.886 1.257 -0.799
269 HB3 LYS 35 HB1 LYS 35 -6.953 1.635 0.642
270 HG2 LYS 35 HG2 LYS 35 -8.040 3.855 0.719
271 HG3 LYS 35 HG1 LYS 35 -9.016 3.397 -0.668
272 HD2 LYS 35 HD2 LYS 35 -9.032 1.982 1.999
273 HD3 LYS 35 HD1 LYS 35 -10.185 3.211 1.525
274 HE2 LYS 35 HE2 LYS 35 -11.268 1.109 1.213
275 HE3 LYS 35 HE1 LYS 35 -10.864 1.696 -0.389
276 HZ1 LYS 35 HZ1 LYS 35 -9.079 0.106 -0.528
277 HZ2 LYS 35 HZ2 LYS 35 -10.439 -0.713 0.030
278 HZ3 LYS 35 HZ3 LYS 35 -9.246 -0.304 1.101
279 H ARG 36 H ARG 36 -4.526 2.311 0.584
280 HA ARG 36 HA ARG 36 -4.498 4.938 1.694
281 HB2 ARG 36 HB2 ARG 36 -2.567 2.666 2.087
282 HB3 ARG 36 HB1 ARG 36 -2.531 4.175 2.989
283 HG2 ARG 36 HG2 ARG 36 -4.872 3.669 3.713
284 HG3 ARG 36 HG1 ARG 36 -4.657 2.064 3.012
285 HD2 ARG 36 HD2 ARG 36 -4.156 1.992 5.380
286 HD3 ARG 36 HD1 ARG 36 -2.693 1.725 4.430
287 HE ARG 36 HE ARG 36 -3.038 4.464 5.082
288 HH11 ARG 36 HH11 ARG 36 -1.956 1.382 6.412
289 HH12 ARG 36 HH12 ARG 36 -0.891 2.071 7.556
290 HH21 ARG 36 HH21 ARG 36 -1.553 5.437 6.683
291 HH22 ARG 36 HH22 ARG 36 -0.665 4.404 7.708
292 H LEU 37 H LEU 37 -2.674 3.321 -0.752
293 HA LEU 37 HA LEU 37 -0.487 5.037 -1.112
294 HB2 LEU 37 HB2 LEU 37 -1.176 2.824 -2.305
295 HB3 LEU 37 HB1 LEU 37 -2.157 3.829 -3.327
296 HG LEU 37 HG LEU 37 0.860 3.727 -3.191
297 HD11 LEU 37 HD11 LEU 37 -1.101 3.111 -5.367
298 HD12 LEU 37 HD12 LEU 37 -0.167 1.949 -4.421
299 HD13 LEU 37 HD13 LEU 37 0.655 3.061 -5.515
300 HD21 LEU 37 HD21 LEU 37 0.942 5.333 -4.942
301 HD22 LEU 37 HD22 LEU 37 0.138 6.033 -3.517
302 HD23 LEU 37 HD23 LEU 37 -0.818 5.503 -4.913
303 H ARG 38 H ARG 38 -3.711 4.985 -2.442
304 HA ARG 38 HA ARG 38 -3.644 7.310 -3.973
305 HB2 ARG 38 HB2 ARG 38 -5.252 5.315 -3.975
306 HB3 ARG 38 HB1 ARG 38 -6.087 6.137 -2.677
307 HG2 ARG 38 HG2 ARG 38 -7.154 6.509 -4.826
308 HG3 ARG 38 HG1 ARG 38 -6.541 8.020 -4.147
309 HD2 ARG 38 HD2 ARG 38 -6.108 7.664 -6.608
310 HD3 ARG 38 HD1 ARG 38 -4.683 8.040 -5.643
311 HE ARG 38 HE ARG 38 -5.128 5.230 -5.897
312 HH11 ARG 38 HH11 ARG 38 -3.992 7.944 -7.839
313 HH12 ARG 38 HH12 ARG 38 -2.698 7.089 -8.542
314 HH21 ARG 38 HH21 ARG 38 -3.340 4.026 -6.903
315 HH22 ARG 38 HH22 ARG 38 -2.338 4.861 -8.019
316 H GLU 39 H GLU 39 -4.567 6.723 -0.616
317 HA GLU 39 HA GLU 39 -5.476 9.340 -0.000
318 HB2 GLU 39 HB2 GLU 39 -4.281 7.231 1.793
319 HB3 GLU 39 HB1 GLU 39 -5.017 8.703 2.377
320 HG2 GLU 39 HG2 GLU 39 -7.154 7.951 1.331
321 HG3 GLU 39 HG1 GLU 39 -6.355 6.421 0.953
322 H ARG 40 H ARG 40 -2.370 7.719 0.376
323 HA ARG 40 HA ARG 40 -1.063 9.823 1.703
324 HB2 ARG 40 HB2 ARG 40 -0.395 7.409 1.717
325 HB3 ARG 40 HB1 ARG 40 0.189 7.610 0.079
326 HG2 ARG 40 HG2 ARG 40 2.021 7.674 1.671
327 HG3 ARG 40 HG1 ARG 40 1.844 9.237 0.871
328 HD2 ARG 40 HD2 ARG 40 0.786 10.182 2.797
329 HD3 ARG 40 HD1 ARG 40 0.653 8.603 3.569
330 HE ARG 40 HE ARG 40 3.263 8.785 3.269
331 HH11 ARG 40 HH11 ARG 40 1.045 11.295 4.468
332 HH12 ARG 40 HH12 ARG 40 2.132 11.901 5.606
333 HH21 ARG 40 HH21 ARG 40 4.762 9.663 4.839
334 HH22 ARG 40 HH22 ARG 40 4.302 10.989 5.795
335 H GLU 41 H GLU 41 -1.263 8.959 -1.753
336 HA GLU 41 HA GLU 41 0.413 11.201 -2.398
337 HB2 GLU 41 HB2 GLU 41 -0.013 10.719 -4.766
338 HB3 GLU 41 HB1 GLU 41 0.530 9.297 -3.906
339 HG2 GLU 41 HG2 GLU 41 -1.628 8.340 -3.961
340 HG3 GLU 41 HG1 GLU 41 -2.355 9.849 -4.521
341 H GLY 42 H GLY 42 -2.874 10.728 -1.810
342 HA2 GLY 42 HA2 GLY 42 -3.834 13.007 -3.238
343 HA3 GLY 42 HA1 GLY 42 -4.670 12.171 -1.929
344 H ARG 43 H ARG 43 -2.548 12.385 -0.100
345 HA ARG 43 HA ARG 43 -2.995 15.068 0.834
346 HB2 ARG 43 HB2 ARG 43 -1.845 12.620 2.122
347 HB3 ARG 43 HB1 ARG 43 -1.699 14.205 2.874
348 HG2 ARG 43 HG2 ARG 43 -4.103 14.430 2.949
349 HG3 ARG 43 HG1 ARG 43 -4.294 12.896 2.100
350 HD2 ARG 43 HD2 ARG 43 -2.832 13.098 4.719
351 HD3 ARG 43 HD1 ARG 43 -4.577 12.899 4.646
352 HE ARG 43 HE ARG 43 -4.141 10.863 3.354
353 HH11 ARG 43 HH11 ARG 43 -1.507 12.042 5.425
354 HH12 ARG 43 HH12 ARG 43 -1.015 10.511 5.955
355 HH21 ARG 43 HH21 ARG 43 -3.432 8.683 4.096
356 HH22 ARG 43 HH22 ARG 43 -2.131 8.545 5.167
357 H ARG 44 H ARG 44 -0.740 13.839 -1.152
358 HA ARG 44 HA ARG 44 1.256 15.786 -0.242
359 HB2 ARG 44 HB2 ARG 44 2.138 13.486 0.005
360 HB3 ARG 44 HB1 ARG 44 1.767 13.159 -1.682
361 HG2 ARG 44 HG2 ARG 44 3.383 14.861 -2.367
362 HG3 ARG 44 HG1 ARG 44 3.729 15.192 -0.670
363 HD2 ARG 44 HD2 ARG 44 4.661 13.020 -0.367
364 HD3 ARG 44 HD1 ARG 44 4.135 12.518 -1.977
365 HE ARG 44 HE ARG 44 5.661 14.711 -2.415
366 HH11 ARG 44 HH11 ARG 44 6.313 11.679 -0.715
367 HH12 ARG 44 HH12 ARG 44 7.935 11.586 -1.256
368 HH21 ARG 44 HH21 ARG 44 7.858 14.561 -3.128
369 HH22 ARG 44 HH22 ARG 44 8.829 13.244 -2.670
370 H GLU 45 H GLU 45 2.324 16.967 -1.957
371 HA GLU 45 HA GLU 45 0.563 17.368 -4.194
372 HB2 GLU 45 HB2 GLU 45 3.114 18.774 -3.394
373 HB3 GLU 45 HB1 GLU 45 2.122 19.211 -4.774
374 HG2 GLU 45 HG2 GLU 45 1.270 19.286 -1.889
375 HG3 GLU 45 HG1 GLU 45 1.696 20.676 -2.887
376 H VAL 46 H VAL 46 0.725 15.752 -5.619
377 HA VAL 46 HA VAL 46 3.332 14.916 -6.602
378 HB VAL 46 HB VAL 46 0.555 14.162 -7.604
379 HG11 VAL 46 HG11 VAL 46 3.219 12.835 -8.087
380 HG12 VAL 46 HG12 VAL 46 2.312 13.790 -9.260
381 HG13 VAL 46 3HG1 VAL 46 1.661 12.261 -8.671
382 HG21 VAL 46 HG21 VAL 46 2.353 12.673 -5.686
383 HG22 VAL 46 HG22 VAL 46 0.835 12.068 -6.350
384 HG23 VAL 46 HG23 VAL 46 0.832 13.470 -5.280
385 H ASP 47 H ASP 47 0.485 16.709 -7.555
386 HA ASP 47 HA ASP 47 2.016 18.352 -9.326
387 HB2 ASP 47 HB2 ASP 47 1.266 16.561 -10.858
388 HB3 ASP 47 HB1 ASP 47 -0.396 16.815 -10.333
Start of MODEL 11
1 H2 PRO 1 HT1 PRO 1 8.847 15.949 7.497
2 H3 PRO 1 HT2 PRO 1 10.225 15.976 8.356
3 HA PRO 1 HA PRO 1 10.605 14.033 7.849
4 HB2 PRO 1 HB2 PRO 1 8.089 12.727 8.524
5 HB3 PRO 1 HB1 PRO 1 9.688 12.491 9.235
6 HG2 PRO 1 HG2 PRO 1 7.657 13.776 10.536
7 HG3 PRO 1 HG1 PRO 1 9.374 14.080 10.839
8 HD2 PRO 1 HD2 PRO 1 7.406 15.714 9.290
9 HD3 PRO 1 HD1 PRO 1 8.783 16.242 10.269
10 H ARG 2 H ARG 2 9.552 12.117 6.421
11 HA ARG 2 HA ARG 2 8.371 13.613 4.218
12 HB2 ARG 2 HB2 ARG 2 10.495 12.343 3.837
13 HB3 ARG 2 HB1 ARG 2 9.597 10.857 4.122
14 HG2 ARG 2 HG2 ARG 2 8.120 11.403 2.249
15 HG3 ARG 2 HG1 ARG 2 9.053 12.872 1.974
16 HD2 ARG 2 HD2 ARG 2 11.050 11.481 1.561
17 HD3 ARG 2 HD1 ARG 2 10.044 10.038 1.740
18 HE ARG 2 HE ARG 2 9.237 12.032 -0.200
19 HH11 ARG 2 HH11 ARG 2 10.711 8.856 0.345
20 HH12 ARG 2 HH12 ARG 2 10.488 8.326 -1.259
21 HH21 ARG 2 HH21 ARG 2 8.960 11.303 -2.398
22 HH22 ARG 2 HH22 ARG 2 9.497 9.764 -2.871
23 H GLY 3 H GLY 3 6.300 13.459 3.897
24 HA2 GLY 3 HA2 GLY 3 4.820 11.195 4.977
25 HA3 GLY 3 HA1 GLY 3 4.134 12.705 4.382
26 H SER 4 H SER 4 6.060 9.980 3.210
27 HA SER 4 HA SER 4 4.963 10.282 0.565
28 HB2 SER 4 HB2 SER 4 6.622 8.334 0.207
29 HB3 SER 4 HB1 SER 4 7.294 9.921 0.611
30 HG SER 4 HG SER 4 7.034 7.602 2.149
31 HA PRO 5 HA PRO 5 1.915 7.185 1.865
32 HB2 PRO 5 HB2 PRO 5 0.382 7.247 -0.377
33 HB3 PRO 5 HB1 PRO 5 0.277 8.476 0.883
34 HG2 PRO 5 HG2 PRO 5 1.710 8.582 -1.738
35 HG3 PRO 5 HG1 PRO 5 0.753 9.838 -0.935
36 HD2 PRO 5 HD2 PRO 5 3.471 9.784 -0.895
37 HD3 PRO 5 HD1 PRO 5 2.502 10.476 0.419
38 H ARG 6 H ARG 6 3.868 7.197 -1.003
39 HA ARG 6 HA ARG 6 3.126 4.660 -2.010
40 HB2 ARG 6 HB2 ARG 6 5.707 6.156 -2.403
41 HB3 ARG 6 HB1 ARG 6 5.227 4.724 -3.292
42 HG2 ARG 6 HG2 ARG 6 3.339 5.917 -4.233
43 HG3 ARG 6 HG1 ARG 6 3.782 7.366 -3.324
44 HD2 ARG 6 HD2 ARG 6 5.977 7.326 -4.460
45 HD3 ARG 6 HD1 ARG 6 5.414 5.972 -5.432
46 HE ARG 6 HE ARG 6 3.602 8.089 -5.625
47 HH11 ARG 6 HH11 ARG 6 6.861 7.224 -6.690
48 HH12 ARG 6 HH12 ARG 6 6.791 8.165 -8.111
49 HH21 ARG 6 HH21 ARG 6 3.518 9.358 -7.579
50 HH22 ARG 6 HH22 ARG 6 4.843 9.360 -8.652
51 H THR 7 H THR 7 5.693 5.672 0.208
52 HA THR 7 HA THR 7 6.958 3.177 0.221
53 HB THR 7 HB THR 7 8.057 4.106 2.329
54 HG1 THR 7 HG1 THR 7 7.000 5.723 3.160
55 HG21 THR 7 HG21 THR 7 9.323 5.786 1.044
56 HG22 THR 7 HG22 THR 7 8.064 5.753 -0.197
57 HG23 THR 7 HG23 THR 7 9.043 4.318 0.102
58 H GLU 8 H GLU 8 4.399 4.535 2.157
59 HA GLU 8 HA GLU 8 4.282 2.547 4.181
60 HB2 GLU 8 HB2 GLU 8 2.082 4.283 3.059
61 HB3 GLU 8 HB1 GLU 8 2.016 3.398 4.575
62 HG2 GLU 8 HG2 GLU 8 3.922 5.605 3.910
63 HG3 GLU 8 HG1 GLU 8 2.467 5.773 4.886
64 H TYR 9 H TYR 9 2.586 3.043 1.166
65 HA TYR 9 HA TYR 9 1.012 0.714 1.297
66 HB2 TYR 9 HB2 TYR 9 0.011 2.141 -0.137
67 HB3 TYR 9 HB1 TYR 9 1.525 2.909 -0.573
68 HD1 TYR 9 HD1 TYR 9 -0.584 -0.084 -1.263
69 HD2 TYR 9 HD2 TYR 9 2.504 2.497 -2.588
70 HE1 TYR 9 HE1 TYR 9 -0.642 -1.149 -3.482
71 HE2 TYR 9 HE2 TYR 9 2.447 1.494 -4.778
72 HH TYR 9 HH TYR 9 -0.045 -0.515 -5.821
73 H GLU 10 H GLU 10 4.092 1.450 -0.200
74 HA GLU 10 HA GLU 10 4.575 -0.942 -1.560
75 HB2 GLU 10 HB2 GLU 10 5.892 1.160 -1.729
76 HB3 GLU 10 HB1 GLU 10 6.534 0.847 -0.127
77 HG2 GLU 10 HG2 GLU 10 7.472 -1.286 -1.027
78 HG3 GLU 10 HG1 GLU 10 6.967 -0.719 -2.625
79 H ALA 11 H ALA 11 5.315 0.104 1.741
80 HA ALA 11 HA ALA 11 6.612 -2.170 2.683
81 HB1 ALA 11 HB1 ALA 11 6.555 -0.034 3.875
82 HB2 ALA 11 HB2 ALA 11 6.038 -1.366 4.914
83 HB3 ALA 11 HB3 ALA 11 4.843 -0.269 4.220
84 H CYS 12 H CYS 12 3.226 -1.273 2.664
85 HA CYS 12 HA CYS 12 2.146 -3.445 4.012
86 HB2 CYS 12 HB2 CYS 12 0.854 -1.453 3.475
87 HB3 CYS 12 HB1 CYS 12 0.977 -1.806 1.759
88 H ARG 13 H ARG 13 3.054 -3.128 0.616
89 HA ARG 13 HA ARG 13 1.878 -5.580 -0.238
90 HB2 ARG 13 HB2 ARG 13 4.171 -4.074 -1.505
91 HB3 ARG 13 HB1 ARG 13 3.225 -5.336 -2.274
92 HG2 ARG 13 HG2 ARG 13 1.231 -3.875 -2.114
93 HG3 ARG 13 HG1 ARG 13 2.254 -2.610 -1.435
94 HD2 ARG 13 HD2 ARG 13 2.470 -3.841 -4.187
95 HD3 ARG 13 HD1 ARG 13 1.951 -2.205 -3.799
96 HE ARG 13 HE ARG 13 4.618 -2.934 -2.933
97 HH11 ARG 13 HH11 ARG 13 2.689 -1.317 -5.486
98 HH12 ARG 13 HH12 ARG 13 4.030 -0.580 -6.192
99 HH21 ARG 13 HH21 ARG 13 6.448 -1.871 -3.937
100 HH22 ARG 13 HH22 ARG 13 6.181 -0.855 -5.282
101 H VAL 14 H VAL 14 5.257 -4.671 0.441
102 HA VAL 14 HA VAL 14 6.275 -7.276 0.067
103 HB VAL 14 HB VAL 14 7.637 -5.229 -0.077
104 HG11 VAL 14 HG11 VAL 14 8.607 -4.167 1.898
105 HG12 VAL 14 HG12 VAL 14 7.516 -5.122 2.907
106 HG13 VAL 14 3HG1 VAL 14 6.860 -3.955 1.759
107 HG21 VAL 14 HG21 VAL 14 8.788 -7.332 0.089
108 HG22 VAL 14 HG22 VAL 14 8.701 -7.279 1.850
109 HG23 VAL 14 HG23 VAL 14 9.691 -6.106 0.980
110 H ARG 15 H ARG 15 5.221 -5.596 2.880
111 HA ARG 15 HA ARG 15 5.938 -7.506 4.827
112 HB2 ARG 15 HB2 ARG 15 5.255 -5.245 5.432
113 HB3 ARG 15 HB1 ARG 15 3.635 -5.561 4.845
114 HG2 ARG 15 HG2 ARG 15 3.235 -7.113 6.627
115 HG3 ARG 15 HG1 ARG 15 4.915 -7.001 7.158
116 HD2 ARG 15 HD2 ARG 15 2.958 -4.708 7.087
117 HD3 ARG 15 HD1 ARG 15 3.400 -5.617 8.535
118 HE ARG 15 HE ARG 15 5.787 -4.825 7.664
119 HH11 ARG 15 HH11 ARG 15 2.826 -2.914 8.005
120 HH12 ARG 15 HH12 ARG 15 3.635 -1.487 8.465
121 HH21 ARG 15 HH21 ARG 15 6.888 -2.882 8.275
122 HH22 ARG 15 HH22 ARG 15 6.021 -1.469 8.617
123 H CYS 16 H CYS 16 2.965 -7.199 2.925
124 HA CYS 16 HA CYS 16 1.919 -9.516 4.170
125 HB2 CYS 16 HB2 CYS 16 0.927 -7.921 1.819
126 HB3 CYS 16 HB1 CYS 16 0.085 -9.329 2.471
127 H GLN 17 H GLN 17 4.052 -9.083 1.547
128 HA GLN 17 HA GLN 17 3.581 -11.610 0.327
129 HB2 GLN 17 HB2 GLN 17 4.856 -9.944 -0.892
130 HB3 GLN 17 HB1 GLN 17 6.035 -9.830 0.402
131 HG2 GLN 17 HG2 GLN 17 6.926 -11.063 -1.501
132 HG3 GLN 17 HG1 GLN 17 6.816 -12.082 -0.072
133 HE21 GLN 17 1HE2 GLN 17 4.066 -11.260 -2.119
134 HE22 GLN 17 2HE2 GLN 17 3.849 -12.846 -2.745
135 H VAL 18 H VAL 18 5.474 -10.495 3.018
136 HA VAL 18 HA VAL 18 6.651 -13.095 3.456
137 HB VAL 18 HB VAL 18 6.843 -10.585 5.136
138 HG11 VAL 18 HG11 VAL 18 8.784 -11.663 6.170
139 HG12 VAL 18 HG12 VAL 18 8.464 -13.130 5.244
140 HG13 VAL 18 3HG1 VAL 18 7.305 -12.578 6.455
141 HG21 VAL 18 HG21 VAL 18 7.792 -10.262 2.928
142 HG22 VAL 18 HG22 VAL 18 8.730 -11.746 3.092
143 HG23 VAL 18 HG23 VAL 18 9.080 -10.366 4.131
144 H ALA 19 H ALA 19 4.490 -10.948 5.320
145 HA ALA 19 HA ALA 19 4.085 -12.884 7.361
146 HB1 ALA 19 HB1 ALA 19 3.998 -10.468 7.780
147 HB2 ALA 19 HB2 ALA 19 2.544 -11.301 8.328
148 HB3 ALA 19 HB3 ALA 19 2.514 -10.372 6.828
149 H GLU 20 H GLU 20 2.132 -11.878 4.591
150 HA GLU 20 HA GLU 20 0.011 -13.685 5.441
151 HB2 GLU 20 HB2 GLU 20 0.168 -11.886 3.015
152 HB3 GLU 20 HB1 GLU 20 -1.240 -12.796 3.532
153 HG2 GLU 20 HG2 GLU 20 0.060 -10.552 5.067
154 HG3 GLU 20 HG1 GLU 20 -1.403 -10.422 4.094
155 H HIS 21 H HIS 21 1.988 -13.091 2.577
156 HA HIS 21 HA HIS 21 2.968 -14.359 1.043
157 HB2 HIS 21 HB2 HIS 21 3.795 -15.833 2.848
158 HB3 HIS 21 HB1 HIS 21 2.303 -16.759 2.784
159 HD1 HIS 21 HD1 HIS 21 5.427 -16.093 0.717
160 HD2 HIS 21 HD2 HIS 21 2.253 -18.763 0.914
161 HE1 HIS 21 HE1 HIS 21 5.970 -17.933 -0.902
162 H GLY 22 H GLY 22 -0.032 -15.798 2.109
163 HA2 GLY 22 HA2 GLY 22 -0.846 -17.014 -0.265
164 HA3 GLY 22 HA1 GLY 22 -1.925 -16.400 0.980
165 H VAL 23 H VAL 23 -1.800 -16.384 -2.043
166 HA VAL 23 HA VAL 23 -1.318 -13.854 -3.066
167 HB VAL 23 HB VAL 23 -3.351 -15.857 -4.079
168 HG11 VAL 23 HG11 VAL 23 -1.899 -13.646 -5.526
169 HG12 VAL 23 HG12 VAL 23 -3.613 -13.672 -5.114
170 HG13 VAL 23 3HG1 VAL 23 -2.966 -14.835 -6.272
171 HG21 VAL 23 HG21 VAL 23 -1.171 -16.902 -3.817
172 HG22 VAL 23 HG22 VAL 23 -0.414 -15.590 -4.721
173 HG23 VAL 23 HG23 VAL 23 -1.541 -16.680 -5.527
174 H GLU 24 H GLU 24 -4.359 -15.222 -1.857
175 HA GLU 24 HA GLU 24 -5.984 -13.016 -2.491
176 HB2 GLU 24 HB2 GLU 24 -6.719 -15.360 -1.987
177 HB3 GLU 24 HB1 GLU 24 -6.382 -15.034 -0.295
178 HG2 GLU 24 HG2 GLU 24 -8.693 -14.765 -0.625
179 HG3 GLU 24 HG1 GLU 24 -7.984 -13.161 -0.404
180 H ARG 25 H ARG 25 -4.217 -13.944 0.435
181 HA ARG 25 HA ARG 25 -5.235 -11.812 2.025
182 HB2 ARG 25 HB2 ARG 25 -2.818 -13.577 2.401
183 HB3 ARG 25 HB1 ARG 25 -3.374 -12.410 3.598
184 HG2 ARG 25 HG2 ARG 25 -5.010 -14.706 2.558
185 HG3 ARG 25 HG1 ARG 25 -4.089 -14.738 4.066
186 HD2 ARG 25 HD2 ARG 25 -5.456 -12.987 4.969
187 HD3 ARG 25 HD1 ARG 25 -6.270 -12.748 3.425
188 HE ARG 25 HE ARG 25 -6.516 -15.411 4.358
189 HH11 ARG 25 HH11 ARG 25 -7.814 -12.161 4.942
190 HH12 ARG 25 HH12 ARG 25 -9.384 -12.727 5.318
191 HH21 ARG 25 HH21 ARG 25 -8.668 -16.145 4.875
192 HH22 ARG 25 HH22 ARG 25 -9.890 -15.013 5.265
193 H GLN 26 H GLN 26 -2.334 -12.222 0.092
194 HA GLN 26 HA GLN 26 -1.199 -9.728 0.780
195 HB2 GLN 26 HB2 GLN 26 0.046 -11.583 -0.330
196 HB3 GLN 26 HB1 GLN 26 -0.880 -11.281 -1.794
197 HG2 GLN 26 HG2 GLN 26 0.054 -9.004 -1.886
198 HG3 GLN 26 HG1 GLN 26 1.019 -9.362 -0.458
199 HE21 GLN 26 1HE2 GLN 26 0.384 -11.596 -3.078
200 HE22 GLN 26 2HE2 GLN 26 2.001 -11.700 -3.646
201 H ARG 27 H ARG 27 -3.393 -10.797 -1.767
202 HA ARG 27 HA ARG 27 -3.691 -8.446 -3.228
203 HB2 ARG 27 HB2 ARG 27 -4.578 -10.603 -3.953
204 HB3 ARG 27 HB1 ARG 27 -5.711 -10.603 -2.618
205 HG2 ARG 27 HG2 ARG 27 -6.858 -8.674 -3.584
206 HG3 ARG 27 HG1 ARG 27 -5.713 -8.665 -4.927
207 HD2 ARG 27 HD2 ARG 27 -7.564 -10.933 -4.202
208 HD3 ARG 27 HD1 ARG 27 -7.806 -9.796 -5.526
209 HE ARG 27 HE ARG 27 -5.588 -10.680 -6.352
210 HH11 ARG 27 HH11 ARG 27 -7.782 -12.745 -4.445
211 HH12 ARG 27 HH12 ARG 27 -7.363 -14.155 -5.314
212 HH21 ARG 27 HH21 ARG 27 -5.038 -12.641 -7.465
213 HH22 ARG 27 HH22 ARG 27 -5.800 -14.114 -7.015
214 H ARG 28 H ARG 28 -5.259 -9.534 -0.295
215 HA ARG 28 HA ARG 28 -7.163 -7.516 0.033
216 HB2 ARG 28 HB2 ARG 28 -7.217 -9.489 1.412
217 HB3 ARG 28 HB1 ARG 28 -5.605 -9.177 2.018
218 HG2 ARG 28 HG2 ARG 28 -7.259 -8.714 3.710
219 HG3 ARG 28 HG1 ARG 28 -6.433 -7.237 3.231
220 HD2 ARG 28 HD2 ARG 28 -8.348 -6.632 1.827
221 HD3 ARG 28 HD1 ARG 28 -9.179 -8.110 2.324
222 HE ARG 28 HE ARG 28 -8.474 -6.865 4.640
223 HH11 ARG 28 HH11 ARG 28 -10.497 -5.968 1.854
224 HH12 ARG 28 HH12 ARG 28 -11.472 -4.910 2.759
225 HH21 ARG 28 HH21 ARG 28 -9.811 -5.367 5.846
226 HH22 ARG 28 HH22 ARG 28 -11.084 -4.561 5.051
227 H CYS 29 H CYS 29 -3.817 -7.705 1.202
228 HA CYS 29 HA CYS 29 -3.699 -5.152 2.359
229 HB2 CYS 29 HB2 CYS 29 -1.505 -6.817 1.129
230 HB3 CYS 29 HB1 CYS 29 -1.276 -5.450 2.209
231 H GLN 30 H GLN 30 -2.787 -6.353 -0.841
232 HA GLN 30 HA GLN 30 -1.774 -3.964 -1.897
233 HB2 GLN 30 HB2 GLN 30 -2.964 -6.371 -3.259
234 HB3 GLN 30 HB1 GLN 30 -2.159 -5.060 -4.107
235 HG2 GLN 30 HG2 GLN 30 -0.076 -5.560 -3.065
236 HG3 GLN 30 HG1 GLN 30 -0.841 -6.707 -1.967
237 HE21 GLN 30 1HE2 GLN 30 1.346 -7.085 -3.896
238 HE22 GLN 30 2HE2 GLN 30 0.818 -8.346 -4.936
239 H GLN 31 H GLN 31 -5.037 -5.063 -1.545
240 HA GLN 31 HA GLN 31 -6.090 -3.125 -3.390
241 HB2 GLN 31 HB2 GLN 31 -7.206 -5.278 -3.113
242 HB3 GLN 31 HB1 GLN 31 -7.444 -4.964 -1.407
243 HG2 GLN 31 HG2 GLN 31 -9.492 -4.677 -2.721
244 HG3 GLN 31 HG1 GLN 31 -9.005 -3.192 -1.910
245 HE21 GLN 31 1HE2 GLN 31 -9.323 -4.814 -4.980
246 HE22 GLN 31 2HE2 GLN 31 -9.132 -3.396 -5.937
247 H VAL 32 H VAL 32 -6.271 -3.576 0.145
248 HA VAL 32 HA VAL 32 -7.662 -1.136 0.547
249 HB VAL 32 HB VAL 32 -6.148 -2.765 2.605
250 HG11 VAL 32 HG11 VAL 32 -8.343 -0.716 2.956
251 HG12 VAL 32 HG12 VAL 32 -6.649 -0.501 3.395
252 HG13 VAL 32 3HG1 VAL 32 -7.635 -1.694 4.243
253 HG21 VAL 32 HG21 VAL 32 -8.328 -3.761 3.115
254 HG22 VAL 32 HG22 VAL 32 -7.826 -4.093 1.456
255 HG23 VAL 32 HG23 VAL 32 -9.044 -2.859 1.780
256 H CYS 33 H CYS 33 -4.225 -1.969 0.863
257 HA CYS 33 HA CYS 33 -3.548 0.582 1.902
258 HB2 CYS 33 HB2 CYS 33 -1.778 -1.520 0.631
259 HB3 CYS 33 HB1 CYS 33 -1.195 -0.097 1.494
260 H GLU 34 H GLU 34 -3.951 -0.658 -1.339
261 HA GLU 34 HA GLU 34 -2.580 1.586 -2.489
262 HB2 GLU 34 HB2 GLU 34 -2.576 -0.640 -3.584
263 HB3 GLU 34 HB1 GLU 34 -4.299 -0.494 -3.842
264 HG2 GLU 34 HG2 GLU 34 -4.003 1.305 -5.369
265 HG3 GLU 34 HG1 GLU 34 -2.293 1.440 -4.959
266 H LYS 35 H LYS 35 -5.825 0.707 -1.639
267 HA LYS 35 HA LYS 35 -7.189 2.722 -3.029
268 HB2 LYS 35 HB2 LYS 35 -8.393 0.925 -1.913
269 HB3 LYS 35 HB1 LYS 35 -7.801 1.454 -0.346
270 HG2 LYS 35 HG2 LYS 35 -9.060 3.536 -0.562
271 HG3 LYS 35 HG1 LYS 35 -9.647 3.019 -2.140
272 HD2 LYS 35 HD2 LYS 35 -10.143 1.514 0.425
273 HD3 LYS 35 HD1 LYS 35 -11.262 2.692 -0.256
274 HE2 LYS 35 HE2 LYS 35 -10.344 0.133 -1.585
275 HE3 LYS 35 HE1 LYS 35 -11.909 0.410 -0.829
276 HZ1 LYS 35 HZ1 LYS 35 -12.342 2.152 -2.473
277 HZ2 LYS 35 HZ2 LYS 35 -12.045 0.670 -3.215
278 HZ3 LYS 35 HZ3 LYS 35 -10.859 1.830 -3.211
279 H ARG 36 H ARG 36 -5.642 2.693 0.125
280 HA ARG 36 HA ARG 36 -6.217 5.401 0.706
281 HB2 ARG 36 HB2 ARG 36 -4.363 3.392 1.933
282 HB3 ARG 36 HB1 ARG 36 -4.386 5.068 2.477
283 HG2 ARG 36 HG2 ARG 36 -6.716 4.900 3.064
284 HG3 ARG 36 HG1 ARG 36 -6.799 3.276 2.386
285 HD2 ARG 36 HD2 ARG 36 -4.954 4.003 4.643
286 HD3 ARG 36 HD1 ARG 36 -6.609 3.465 4.905
287 HE ARG 36 HE ARG 36 -6.018 1.419 3.769
288 HH11 ARG 36 HH11 ARG 36 -3.271 3.332 4.952
289 HH12 ARG 36 HH12 ARG 36 -2.329 1.957 5.345
290 HH21 ARG 36 HH21 ARG 36 -4.682 -0.456 4.351
291 HH22 ARG 36 HH22 ARG 36 -3.136 -0.187 4.978
292 H LEU 37 H LEU 37 -3.534 3.794 -0.839
293 HA LEU 37 HA LEU 37 -1.751 5.939 -1.124
294 HB2 LEU 37 HB2 LEU 37 -1.236 3.626 -1.803
295 HB3 LEU 37 HB1 LEU 37 -2.443 3.727 -3.066
296 HG LEU 37 HG LEU 37 -1.024 5.610 -4.043
297 HD11 LEU 37 HD11 LEU 37 1.332 5.581 -3.503
298 HD12 LEU 37 HD12 LEU 37 0.990 4.506 -2.143
299 HD13 LEU 37 HD13 LEU 37 0.324 6.129 -2.169
300 HD21 LEU 37 HD21 LEU 37 0.466 4.056 -5.165
301 HD22 LEU 37 HD22 LEU 37 -1.187 3.447 -5.071
302 HD23 LEU 37 HD23 LEU 37 0.052 2.815 -3.983
303 H ARG 38 H ARG 38 -4.329 4.773 -3.214
304 HA ARG 38 HA ARG 38 -4.218 6.565 -5.294
305 HB2 ARG 38 HB2 ARG 38 -5.469 4.389 -5.119
306 HB3 ARG 38 HB1 ARG 38 -6.704 5.245 -4.219
307 HG2 ARG 38 HG2 ARG 38 -7.465 5.075 -6.452
308 HG3 ARG 38 HG1 ARG 38 -6.948 6.750 -6.232
309 HD2 ARG 38 HD2 ARG 38 -6.147 5.905 -8.356
310 HD3 ARG 38 HD1 ARG 38 -4.785 6.198 -7.279
311 HE ARG 38 HE ARG 38 -5.926 3.507 -7.530
312 HH11 ARG 38 HH11 ARG 38 -3.073 5.628 -7.759
313 HH12 ARG 38 HH12 ARG 38 -2.017 4.419 -8.270
314 HH21 ARG 38 HH21 ARG 38 -4.484 1.824 -8.214
315 HH22 ARG 38 HH22 ARG 38 -2.843 2.157 -8.530
316 H GLU 39 H GLU 39 -6.142 6.771 -2.293
317 HA GLU 39 HA GLU 39 -7.334 9.206 -3.167
318 HB2 GLU 39 HB2 GLU 39 -8.313 9.353 -0.872
319 HB3 GLU 39 HB1 GLU 39 -8.681 7.895 -1.780
320 HG2 GLU 39 HG2 GLU 39 -7.113 6.645 -0.512
321 HG3 GLU 39 HG1 GLU 39 -6.557 8.091 0.336
322 H ARG 40 H ARG 40 -4.489 8.500 -1.311
323 HA ARG 40 HA ARG 40 -4.279 11.195 -0.388
324 HB2 ARG 40 HB2 ARG 40 -2.267 8.955 -0.381
325 HB3 ARG 40 HB1 ARG 40 -1.880 10.577 0.176
326 HG2 ARG 40 HG2 ARG 40 -3.763 10.384 1.793
327 HG3 ARG 40 HG1 ARG 40 -3.921 8.691 1.322
328 HD2 ARG 40 HD2 ARG 40 -1.662 8.243 2.054
329 HD3 ARG 40 HD1 ARG 40 -1.412 9.953 2.416
330 HE ARG 40 HE ARG 40 -3.497 8.426 3.781
331 HH11 ARG 40 HH11 ARG 40 -0.522 10.342 3.962
332 HH12 ARG 40 HH12 ARG 40 -0.511 10.423 5.654
333 HH21 ARG 40 HH21 ARG 40 -3.465 8.547 6.146
334 HH22 ARG 40 HH22 ARG 40 -2.220 9.413 6.915
335 H GLU 41 H GLU 41 -2.900 9.386 -3.075
336 HA GLU 41 HA GLU 41 -1.299 11.556 -4.012
337 HB2 GLU 41 HB2 GLU 41 -1.080 10.259 -6.087
338 HB3 GLU 41 HB1 GLU 41 -0.799 9.246 -4.679
339 HG2 GLU 41 HG2 GLU 41 -2.960 8.261 -4.866
340 HG3 GLU 41 HG1 GLU 41 -3.428 9.398 -6.120
341 H GLY 42 H GLY 42 -4.621 10.666 -4.338
342 HA2 GLY 42 HA2 GLY 42 -5.165 12.325 -6.604
343 HA3 GLY 42 HA1 GLY 42 -6.351 11.567 -5.546
344 H ARG 43 H ARG 43 -5.334 12.659 -3.139
345 HA ARG 43 HA ARG 43 -6.687 15.191 -3.253
346 HB2 ARG 43 HB2 ARG 43 -6.885 13.575 -1.351
347 HB3 ARG 43 HB1 ARG 43 -5.223 13.942 -0.924
348 HG2 ARG 43 HG2 ARG 43 -6.691 15.196 0.505
349 HG3 ARG 43 HG1 ARG 43 -5.878 16.304 -0.606
350 HD2 ARG 43 HD2 ARG 43 -8.253 16.855 -0.382
351 HD3 ARG 43 HD1 ARG 43 -7.856 16.354 -2.025
352 HE ARG 43 HE ARG 43 -8.727 14.173 -0.432
353 HH11 ARG 43 HH11 ARG 43 -9.956 16.892 -2.324
354 HH12 ARG 43 HH12 ARG 43 -11.494 16.198 -2.571
355 HH21 ARG 43 HH21 ARG 43 -10.790 13.214 -0.806
356 HH22 ARG 43 HH22 ARG 43 -11.990 14.052 -1.678
357 H ARG 44 H ARG 44 -3.404 14.055 -2.576
358 HA ARG 44 HA ARG 44 -2.429 16.820 -2.837
359 HB2 ARG 44 HB2 ARG 44 -1.220 14.474 -1.395
360 HB3 ARG 44 HB1 ARG 44 -0.478 16.050 -1.561
361 HG2 ARG 44 HG2 ARG 44 -2.278 16.999 -0.178
362 HG3 ARG 44 HG1 ARG 44 -2.979 15.378 -0.015
363 HD2 ARG 44 HD2 ARG 44 -0.860 14.585 0.930
364 HD3 ARG 44 HD1 ARG 44 -0.210 16.215 0.853
365 HE ARG 44 HE ARG 44 -2.636 15.811 2.360
366 HH11 ARG 44 HH11 ARG 44 0.882 16.334 2.374
367 HH12 ARG 44 HH12 ARG 44 0.994 16.545 4.055
368 HH21 ARG 44 HH21 ARG 44 -2.471 16.057 4.735
369 HH22 ARG 44 HH22 ARG 44 -0.943 16.375 5.415
370 H GLU 45 H GLU 45 -1.546 17.011 -4.824
371 HA GLU 45 HA GLU 45 -0.381 14.706 -6.089
372 HB2 GLU 45 HB2 GLU 45 -1.662 16.351 -7.453
373 HB3 GLU 45 HB1 GLU 45 -0.489 17.589 -7.040
374 HG2 GLU 45 HG2 GLU 45 1.236 16.421 -8.257
375 HG3 GLU 45 HG1 GLU 45 0.144 15.075 -8.576
376 H VAL 46 H VAL 46 1.071 14.303 -4.513
377 HA VAL 46 HA VAL 46 3.033 14.191 -3.482
378 HB VAL 46 HB VAL 46 4.105 15.926 -5.742
379 HG11 VAL 46 HG11 VAL 46 5.636 15.881 -3.840
380 HG12 VAL 46 HG12 VAL 46 6.301 14.963 -5.190
381 HG13 VAL 46 3HG1 VAL 46 5.579 14.118 -3.821
382 HG21 VAL 46 HG21 VAL 46 4.033 12.920 -5.465
383 HG22 VAL 46 HG22 VAL 46 4.815 13.813 -6.772
384 HG23 VAL 46 HG23 VAL 46 3.063 13.888 -6.574
385 H ASP 47 H ASP 47 2.267 15.218 -1.682
386 HA ASP 47 HA ASP 47 3.611 17.725 -1.118
387 HB2 ASP 47 HB2 ASP 47 1.321 18.433 -1.741
388 HB3 ASP 47 HB1 ASP 47 0.652 17.327 -0.549
Start of MODEL 12
1 H2 PRO 1 HT1 PRO 1 13.576 9.259 6.687
2 H3 PRO 1 HT2 PRO 1 13.365 9.482 8.275
3 HA PRO 1 HA PRO 1 11.934 11.031 8.036
4 HB2 PRO 1 HB2 PRO 1 12.478 12.193 5.492
5 HB3 PRO 1 HB1 PRO 1 12.639 12.951 7.083
6 HG2 PRO 1 HG2 PRO 1 14.702 11.690 5.391
7 HG3 PRO 1 HG1 PRO 1 14.887 12.893 6.676
8 HD2 PRO 1 HD2 PRO 1 15.657 10.317 7.001
9 HD3 PRO 1 HD1 PRO 1 15.006 11.278 8.343
10 H ARG 2 H ARG 2 10.282 11.564 6.070
11 HA ARG 2 HA ARG 2 9.926 9.012 4.663
12 HB2 ARG 2 HB2 ARG 2 7.515 9.361 4.772
13 HB3 ARG 2 HB1 ARG 2 8.180 9.486 6.383
14 HG2 ARG 2 HG2 ARG 2 8.107 11.950 6.191
15 HG3 ARG 2 HG1 ARG 2 7.339 11.770 4.617
16 HD2 ARG 2 HD2 ARG 2 6.253 10.755 7.241
17 HD3 ARG 2 HD1 ARG 2 5.709 12.204 6.404
18 HE ARG 2 HE ARG 2 5.511 9.854 4.795
19 HH11 ARG 2 HH11 ARG 2 3.893 11.688 7.347
20 HH12 ARG 2 HH12 ARG 2 2.334 11.100 7.010
21 HH21 ARG 2 HH21 ARG 2 3.367 8.959 4.372
22 HH22 ARG 2 HH22 ARG 2 2.023 9.534 5.266
23 H GLY 3 H GLY 3 9.032 9.179 2.496
24 HA2 GLY 3 HA2 GLY 3 8.591 11.560 1.149
25 HA3 GLY 3 HA1 GLY 3 10.298 11.158 0.975
26 H SER 4 H SER 4 8.028 11.199 -0.929
27 HA SER 4 HA SER 4 7.330 10.148 -2.752
28 HB2 SER 4 HB2 SER 4 9.494 8.109 -2.152
29 HB3 SER 4 HB1 SER 4 8.621 8.249 -3.680
30 HG SER 4 HG SER 4 9.937 10.491 -2.621
31 HA PRO 5 HA PRO 5 4.231 7.919 -0.322
32 HB2 PRO 5 HB2 PRO 5 2.615 7.560 -2.636
33 HB3 PRO 5 HB1 PRO 5 2.414 8.751 -1.352
34 HG2 PRO 5 HG2 PRO 5 3.536 9.067 -4.039
35 HG3 PRO 5 HG1 PRO 5 2.891 10.275 -2.937
36 HD2 PRO 5 HD2 PRO 5 5.537 9.999 -3.518
37 HD3 PRO 5 HD1 PRO 5 4.932 10.714 -2.013
38 H ARG 6 H ARG 6 5.357 6.811 -3.423
39 HA ARG 6 HA ARG 6 4.394 4.222 -3.472
40 HB2 ARG 6 HB2 ARG 6 6.260 3.658 -4.945
41 HB3 ARG 6 HB1 ARG 6 5.463 5.161 -5.399
42 HG2 ARG 6 HG2 ARG 6 7.327 6.374 -4.234
43 HG3 ARG 6 HG1 ARG 6 8.132 4.815 -4.046
44 HD2 ARG 6 HD2 ARG 6 8.969 5.988 -6.011
45 HD3 ARG 6 HD1 ARG 6 8.106 4.519 -6.481
46 HE ARG 6 HE ARG 6 6.239 6.502 -6.535
47 HH11 ARG 6 HH11 ARG 6 9.314 5.948 -8.230
48 HH12 ARG 6 HH12 ARG 6 8.842 6.850 -9.587
49 HH21 ARG 6 HH21 ARG 6 5.624 7.686 -8.413
50 HH22 ARG 6 HH22 ARG 6 6.704 7.844 -9.711
51 H THR 7 H THR 7 6.999 5.441 -1.559
52 HA THR 7 HA THR 7 8.279 2.973 -1.020
53 HB THR 7 HB THR 7 9.334 4.159 0.902
54 HG1 THR 7 HG1 THR 7 7.998 6.531 0.128
55 HG21 THR 7 HG21 THR 7 10.478 5.864 -0.424
56 HG22 THR 7 HG22 THR 7 9.199 5.793 -1.633
57 HG23 THR 7 HG23 THR 7 10.243 4.397 -1.376
58 H GLU 8 H GLU 8 5.797 4.777 0.704
59 HA GLU 8 HA GLU 8 5.561 3.003 2.908
60 HB2 GLU 8 HB2 GLU 8 3.567 4.946 1.777
61 HB3 GLU 8 HB1 GLU 8 3.454 4.193 3.362
62 HG2 GLU 8 HG2 GLU 8 5.643 5.237 3.937
63 HG3 GLU 8 HG1 GLU 8 5.566 6.110 2.414
64 H TYR 9 H TYR 9 3.932 3.319 -0.167
65 HA TYR 9 HA TYR 9 1.957 1.400 0.214
66 HB2 TYR 9 HB2 TYR 9 1.626 2.888 -1.529
67 HB3 TYR 9 HB1 TYR 9 3.285 2.773 -2.092
68 HD1 TYR 9 HD1 TYR 9 3.946 1.113 -3.479
69 HD2 TYR 9 HD2 TYR 9 -0.006 1.242 -2.145
70 HE1 TYR 9 HE1 TYR 9 3.370 -0.556 -5.226
71 HE2 TYR 9 HE2 TYR 9 -0.694 -0.422 -3.853
72 HH TYR 9 HH TYR 9 1.621 -2.267 -5.552
73 H GLU 10 H GLU 10 5.210 1.289 -1.136
74 HA GLU 10 HA GLU 10 5.268 -1.393 -1.889
75 HB2 GLU 10 HB2 GLU 10 6.810 0.464 -2.575
76 HB3 GLU 10 HB1 GLU 10 7.559 0.333 -1.002
77 HG2 GLU 10 HG2 GLU 10 8.307 -1.893 -1.482
78 HG3 GLU 10 HG1 GLU 10 7.444 -1.881 -3.024
79 H ALA 11 H ALA 11 6.317 0.247 1.081
80 HA ALA 11 HA ALA 11 7.350 -1.933 2.469
81 HB1 ALA 11 HB1 ALA 11 7.614 0.397 3.178
82 HB2 ALA 11 HB2 ALA 11 6.964 -0.594 4.485
83 HB3 ALA 11 HB3 ALA 11 5.898 0.471 3.572
84 H CYS 12 H CYS 12 4.070 -0.667 2.366
85 HA CYS 12 HA CYS 12 2.787 -2.418 4.112
86 HB2 CYS 12 HB2 CYS 12 1.755 -0.375 3.189
87 HB3 CYS 12 HB1 CYS 12 1.743 -1.093 1.588
88 H ARG 13 H ARG 13 3.478 -2.721 0.673
89 HA ARG 13 HA ARG 13 2.192 -5.221 0.296
90 HB2 ARG 13 HB2 ARG 13 4.341 -3.820 -1.305
91 HB3 ARG 13 HB1 ARG 13 3.508 -5.276 -1.832
92 HG2 ARG 13 HG2 ARG 13 2.041 -2.746 -1.144
93 HG3 ARG 13 HG1 ARG 13 2.662 -3.066 -2.760
94 HD2 ARG 13 HD2 ARG 13 0.802 -4.941 -1.294
95 HD3 ARG 13 HD1 ARG 13 0.242 -3.674 -2.387
96 HE ARG 13 HE ARG 13 2.048 -4.977 -3.869
97 HH11 ARG 13 HH11 ARG 13 -0.664 -6.288 -1.999
98 HH12 ARG 13 HH12 ARG 13 -1.002 -7.504 -3.149
99 HH21 ARG 13 HH21 ARG 13 1.543 -6.647 -5.399
100 HH22 ARG 13 HH22 ARG 13 0.240 -7.692 -5.107
101 H VAL 14 H VAL 14 5.527 -4.270 0.976
102 HA VAL 14 HA VAL 14 6.730 -6.795 0.873
103 HB VAL 14 HB VAL 14 7.488 -4.373 2.550
104 HG11 VAL 14 HG11 VAL 14 9.709 -5.386 2.791
105 HG12 VAL 14 HG12 VAL 14 9.138 -6.841 1.973
106 HG13 VAL 14 3HG1 VAL 14 8.469 -6.392 3.541
107 HG21 VAL 14 HG21 VAL 14 9.191 -4.031 0.828
108 HG22 VAL 14 HG22 VAL 14 7.565 -4.006 0.144
109 HG23 VAL 14 HG23 VAL 14 8.583 -5.432 -0.053
110 H ARG 15 H ARG 15 5.160 -5.145 3.578
111 HA ARG 15 HA ARG 15 5.675 -7.095 5.523
112 HB2 ARG 15 HB2 ARG 15 4.809 -4.897 6.136
113 HB3 ARG 15 HB1 ARG 15 3.301 -5.235 5.300
114 HG2 ARG 15 HG2 ARG 15 2.771 -6.987 6.888
115 HG3 ARG 15 HG1 ARG 15 4.321 -6.753 7.695
116 HD2 ARG 15 HD2 ARG 15 2.162 -4.668 7.446
117 HD3 ARG 15 HD1 ARG 15 2.439 -5.669 8.870
118 HE ARG 15 HE ARG 15 4.839 -4.552 8.456
119 HH11 ARG 15 HH11 ARG 15 1.622 -3.211 8.806
120 HH12 ARG 15 HH12 ARG 15 2.140 -1.702 9.417
121 HH21 ARG 15 HH21 ARG 15 5.584 -2.500 9.351
122 HH22 ARG 15 HH22 ARG 15 4.443 -1.293 9.714
123 H CYS 16 H CYS 16 3.050 -6.823 3.198
124 HA CYS 16 HA CYS 16 1.770 -9.168 4.138
125 HB2 CYS 16 HB2 CYS 16 1.462 -7.599 1.605
126 HB3 CYS 16 HB1 CYS 16 0.500 -9.034 1.969
127 H GLN 17 H GLN 17 4.302 -8.617 1.828
128 HA GLN 17 HA GLN 17 4.190 -11.160 0.594
129 HB2 GLN 17 HB2 GLN 17 6.507 -9.259 0.951
130 HB3 GLN 17 HB1 GLN 17 6.570 -10.709 -0.039
131 HG2 GLN 17 HG2 GLN 17 4.895 -9.837 -1.513
132 HG3 GLN 17 HG1 GLN 17 4.642 -8.441 -0.466
133 HE21 GLN 17 1HE2 GLN 17 5.137 -7.019 -2.066
134 HE22 GLN 17 2HE2 GLN 17 6.732 -6.737 -2.645
135 H VAL 18 H VAL 18 5.830 -9.976 3.464
136 HA VAL 18 HA VAL 18 7.065 -12.535 3.889
137 HB VAL 18 HB VAL 18 8.351 -10.582 4.541
138 HG11 VAL 18 HG11 VAL 18 6.608 -9.037 5.129
139 HG12 VAL 18 HG12 VAL 18 7.768 -9.179 6.452
140 HG13 VAL 18 3HG1 VAL 18 6.205 -9.992 6.555
141 HG21 VAL 18 HG21 VAL 18 7.534 -12.216 6.924
142 HG22 VAL 18 HG22 VAL 18 8.970 -11.197 6.833
143 HG23 VAL 18 HG23 VAL 18 8.812 -12.595 5.765
144 H ALA 19 H ALA 19 4.401 -10.767 5.422
145 HA ALA 19 HA ALA 19 4.065 -12.894 7.337
146 HB1 ALA 19 HB1 ALA 19 2.343 -10.465 6.889
147 HB2 ALA 19 HB2 ALA 19 3.726 -10.548 7.977
148 HB3 ALA 19 HB3 ALA 19 2.301 -11.539 8.288
149 H GLU 20 H GLU 20 2.095 -11.549 4.722
150 HA GLU 20 HA GLU 20 0.016 -13.453 5.189
151 HB2 GLU 20 HB2 GLU 20 0.364 -11.359 3.060
152 HB3 GLU 20 HB1 GLU 20 -1.081 -12.337 3.275
153 HG2 GLU 20 HG2 GLU 20 0.066 -10.467 5.344
154 HG3 GLU 20 HG1 GLU 20 -1.280 -10.086 4.272
155 H HIS 21 H HIS 21 1.977 -12.751 2.306
156 HA HIS 21 HA HIS 21 2.859 -14.013 0.669
157 HB2 HIS 21 HB2 HIS 21 3.815 -15.422 2.438
158 HB3 HIS 21 HB1 HIS 21 2.334 -16.356 2.522
159 HD1 HIS 21 HD1 HIS 21 5.593 -16.202 0.789
160 HD2 HIS 21 HD2 HIS 21 1.930 -18.079 0.241
161 HE1 HIS 21 HE1 HIS 21 6.006 -18.076 -0.829
162 H GLY 22 H GLY 22 0.013 -15.706 1.889
163 HA2 GLY 22 HA2 GLY 22 -0.670 -17.061 -0.456
164 HA3 GLY 22 HA1 GLY 22 -1.773 -16.714 0.858
165 H VAL 23 H VAL 23 -2.233 -16.805 -1.976
166 HA VAL 23 HA VAL 23 -2.301 -14.394 -3.375
167 HB VAL 23 HB VAL 23 -4.237 -16.709 -3.617
168 HG11 VAL 23 HG11 VAL 23 -5.081 -14.746 -4.767
169 HG12 VAL 23 HG12 VAL 23 -4.551 -15.957 -5.937
170 HG13 VAL 23 3HG1 VAL 23 -3.539 -14.550 -5.601
171 HG21 VAL 23 HG21 VAL 23 -2.745 -17.496 -5.401
172 HG22 VAL 23 HG22 VAL 23 -1.938 -17.441 -3.835
173 HG23 VAL 23 HG23 VAL 23 -1.630 -16.182 -5.027
174 H GLU 24 H GLU 24 -4.811 -15.831 -1.368
175 HA GLU 24 HA GLU 24 -6.815 -13.930 -1.893
176 HB2 GLU 24 HB2 GLU 24 -6.406 -15.651 0.556
177 HB3 GLU 24 HB1 GLU 24 -7.881 -14.791 0.155
178 HG2 GLU 24 HG2 GLU 24 -8.220 -16.126 -1.798
179 HG3 GLU 24 HG1 GLU 24 -6.645 -16.891 -1.609
180 H ARG 25 H ARG 25 -4.427 -14.140 0.669
181 HA ARG 25 HA ARG 25 -5.224 -11.780 2.035
182 HB2 ARG 25 HB2 ARG 25 -2.574 -13.213 2.015
183 HB3 ARG 25 HB1 ARG 25 -3.068 -11.975 3.166
184 HG2 ARG 25 HG2 ARG 25 -4.812 -13.417 4.008
185 HG3 ARG 25 HG1 ARG 25 -4.394 -14.660 2.830
186 HD2 ARG 25 HD2 ARG 25 -2.141 -14.784 3.802
187 HD3 ARG 25 HD1 ARG 25 -2.603 -13.568 4.986
188 HE ARG 25 HE ARG 25 -4.201 -15.971 4.883
189 HH11 ARG 25 HH11 ARG 25 -1.728 -14.060 6.599
190 HH12 ARG 25 HH12 ARG 25 -1.625 -15.128 7.910
191 HH21 ARG 25 HH21 ARG 25 -4.029 -17.434 6.708
192 HH22 ARG 25 HH22 ARG 25 -2.945 -17.092 7.985
193 H GLN 26 H GLN 26 -2.806 -12.516 -0.414
194 HA GLN 26 HA GLN 26 -1.465 -10.106 -0.662
195 HB2 GLN 26 HB2 GLN 26 -0.878 -12.268 -1.774
196 HB3 GLN 26 HB1 GLN 26 -2.254 -12.083 -2.829
197 HG2 GLN 26 HG2 GLN 26 0.095 -10.184 -2.810
198 HG3 GLN 26 HG1 GLN 26 0.013 -11.614 -3.823
199 HE21 GLN 26 1HE2 GLN 26 -1.525 -11.643 -5.486
200 HE22 GLN 26 2HE2 GLN 26 -2.192 -10.209 -6.151
201 H ARG 27 H ARG 27 -4.349 -11.234 -2.343
202 HA ARG 27 HA ARG 27 -4.956 -8.976 -3.842
203 HB2 ARG 27 HB2 ARG 27 -6.020 -11.106 -4.225
204 HB3 ARG 27 HB1 ARG 27 -6.758 -11.067 -2.636
205 HG2 ARG 27 HG2 ARG 27 -8.149 -9.183 -3.322
206 HG3 ARG 27 HG1 ARG 27 -7.385 -9.201 -4.914
207 HD2 ARG 27 HD2 ARG 27 -8.218 -11.406 -5.349
208 HD3 ARG 27 HD1 ARG 27 -8.853 -11.537 -3.712
209 HE ARG 27 HE ARG 27 -9.941 -9.320 -5.082
210 HH11 ARG 27 HH11 ARG 27 -10.139 -12.849 -4.878
211 HH12 ARG 27 HH12 ARG 27 -11.771 -12.946 -5.340
212 HH21 ARG 27 HH21 ARG 27 -12.238 -9.453 -5.726
213 HH22 ARG 27 HH22 ARG 27 -12.999 -10.972 -5.796
214 H ARG 28 H ARG 28 -5.741 -9.697 -0.475
215 HA ARG 28 HA ARG 28 -7.480 -7.479 -0.091
216 HB2 ARG 28 HB2 ARG 28 -5.789 -8.894 1.982
217 HB3 ARG 28 HB1 ARG 28 -7.110 -7.789 2.322
218 HG2 ARG 28 HG2 ARG 28 -8.618 -9.383 1.131
219 HG3 ARG 28 HG1 ARG 28 -7.263 -10.507 1.070
220 HD2 ARG 28 HD2 ARG 28 -8.511 -9.356 3.562
221 HD3 ARG 28 HD1 ARG 28 -8.718 -10.994 2.962
222 HE ARG 28 HE ARG 28 -6.015 -10.086 3.617
223 HH11 ARG 28 HH11 ARG 28 -8.798 -12.138 4.421
224 HH12 ARG 28 HH12 ARG 28 -7.999 -12.980 5.653
225 HH21 ARG 28 HH21 ARG 28 -4.889 -11.301 5.316
226 HH22 ARG 28 HH22 ARG 28 -5.731 -12.517 6.141
227 H CYS 29 H CYS 29 -4.055 -8.008 0.650
228 HA CYS 29 HA CYS 29 -3.479 -5.440 1.570
229 HB2 CYS 29 HB2 CYS 29 -1.727 -7.472 0.204
230 HB3 CYS 29 HB1 CYS 29 -1.140 -6.043 1.045
231 H GLN 30 H GLN 30 -3.594 -6.791 -1.633
232 HA GLN 30 HA GLN 30 -2.356 -4.799 -3.135
233 HB2 GLN 30 HB2 GLN 30 -3.113 -7.078 -3.866
234 HB3 GLN 30 HB1 GLN 30 -4.755 -6.462 -3.893
235 HG2 GLN 30 HG2 GLN 30 -4.072 -4.833 -5.589
236 HG3 GLN 30 HG1 GLN 30 -2.462 -5.560 -5.599
237 HE21 GLN 30 1HE2 GLN 30 -2.225 -7.654 -6.407
238 HE22 GLN 30 2HE2 GLN 30 -3.420 -8.372 -7.423
239 H GLN 31 H GLN 31 -5.639 -5.142 -1.951
240 HA GLN 31 HA GLN 31 -6.584 -2.726 -3.171
241 HB2 GLN 31 HB2 GLN 31 -8.060 -4.639 -2.790
242 HB3 GLN 31 HB1 GLN 31 -7.807 -4.500 -1.058
243 HG2 GLN 31 HG2 GLN 31 -8.846 -2.263 -1.121
244 HG3 GLN 31 HG1 GLN 31 -9.166 -2.491 -2.837
245 HE21 GLN 31 1HE2 GLN 31 -9.760 -5.338 -2.467
246 HE22 GLN 31 2HE2 GLN 31 -11.325 -5.385 -1.754
247 H VAL 32 H VAL 32 -5.939 -3.803 0.159
248 HA VAL 32 HA VAL 32 -6.582 -1.431 1.468
249 HB VAL 32 HB VAL 32 -4.592 -3.547 2.356
250 HG11 VAL 32 HG11 VAL 32 -4.278 -1.469 3.608
251 HG12 VAL 32 HG12 VAL 32 -4.983 -2.718 4.632
252 HG13 VAL 32 3HG1 VAL 32 -5.998 -1.427 3.989
253 HG21 VAL 32 HG21 VAL 32 -6.824 -4.440 1.954
254 HG22 VAL 32 HG22 VAL 32 -7.518 -3.195 2.995
255 HG23 VAL 32 HG23 VAL 32 -6.450 -4.421 3.677
256 H CYS 33 H CYS 33 -3.343 -2.519 0.395
257 HA CYS 33 HA CYS 33 -2.010 -0.253 1.405
258 HB2 CYS 33 HB2 CYS 33 -1.158 -2.039 -0.888
259 HB3 CYS 33 HB1 CYS 33 -0.118 -0.918 -0.021
260 H GLU 34 H GLU 34 -3.706 -0.826 -1.613
261 HA GLU 34 HA GLU 34 -2.675 1.498 -2.922
262 HB2 GLU 34 HB2 GLU 34 -3.535 -0.388 -4.221
263 HB3 GLU 34 HB1 GLU 34 -5.122 -0.180 -3.499
264 HG2 GLU 34 HG2 GLU 34 -5.322 2.014 -4.561
265 HG3 GLU 34 HG1 GLU 34 -3.732 1.808 -5.288
266 H LYS 35 H LYS 35 -5.659 0.634 -1.254
267 HA LYS 35 HA LYS 35 -6.979 3.067 -1.610
268 HB2 LYS 35 HB2 LYS 35 -8.115 0.991 -0.936
269 HB3 LYS 35 HB1 LYS 35 -7.325 1.071 0.632
270 HG2 LYS 35 HG2 LYS 35 -8.474 3.145 1.148
271 HG3 LYS 35 HG1 LYS 35 -9.215 3.151 -0.448
272 HD2 LYS 35 HD2 LYS 35 -9.661 1.078 1.702
273 HD3 LYS 35 HD1 LYS 35 -10.764 2.383 1.290
274 HE2 LYS 35 HE2 LYS 35 -9.946 0.110 -0.539
275 HE3 LYS 35 HE1 LYS 35 -11.486 0.276 0.282
276 HZ1 LYS 35 HZ1 LYS 35 -10.427 2.087 -1.814
277 HZ2 LYS 35 HZ2 LYS 35 -11.895 2.310 -1.008
278 HZ3 LYS 35 HZ3 LYS 35 -11.664 0.968 -1.997
279 H ARG 36 H ARG 36 -4.974 1.910 1.076
280 HA ARG 36 HA ARG 36 -5.270 4.239 2.638
281 HB2 ARG 36 HB2 ARG 36 -3.085 2.153 2.623
282 HB3 ARG 36 HB1 ARG 36 -3.186 3.449 3.807
283 HG2 ARG 36 HG2 ARG 36 -5.291 1.333 3.372
284 HG3 ARG 36 HG1 ARG 36 -4.077 1.317 4.651
285 HD2 ARG 36 HD2 ARG 36 -6.196 3.439 4.255
286 HD3 ARG 36 HD1 ARG 36 -6.233 2.158 5.458
287 HE ARG 36 HE ARG 36 -4.015 3.217 6.194
288 HH11 ARG 36 HH11 ARG 36 -6.836 5.062 5.038
289 HH12 ARG 36 HH12 ARG 36 -6.454 6.435 5.962
290 HH21 ARG 36 HH21 ARG 36 -3.518 5.084 7.398
291 HH22 ARG 36 HH22 ARG 36 -4.500 6.471 7.334
292 H LEU 37 H LEU 37 -3.012 3.398 0.105
293 HA LEU 37 HA LEU 37 -1.315 5.643 0.412
294 HB2 LEU 37 HB2 LEU 37 -0.862 3.470 -0.849
295 HB3 LEU 37 HB1 LEU 37 -1.897 4.071 -2.114
296 HG LEU 37 HG LEU 37 0.568 4.236 -2.561
297 HD11 LEU 37 HD11 LEU 37 -0.940 6.827 -2.597
298 HD12 LEU 37 HD12 LEU 37 -0.922 5.566 -3.840
299 HD13 LEU 37 HD13 LEU 37 0.547 6.471 -3.487
300 HD21 LEU 37 HD21 LEU 37 1.243 4.810 -0.298
301 HD22 LEU 37 HD22 LEU 37 0.473 6.396 -0.466
302 HD23 LEU 37 HD23 LEU 37 1.848 5.958 -1.483
303 H ARG 38 H ARG 38 -4.141 4.948 -1.560
304 HA ARG 38 HA ARG 38 -4.311 7.420 -2.901
305 HB2 ARG 38 HB2 ARG 38 -5.423 5.357 -3.665
306 HB3 ARG 38 HB1 ARG 38 -6.465 5.397 -2.255
307 HG2 ARG 38 HG2 ARG 38 -7.497 7.456 -3.068
308 HG3 ARG 38 HG1 ARG 38 -6.423 7.440 -4.469
309 HD2 ARG 38 HD2 ARG 38 -7.349 5.354 -5.221
310 HD3 ARG 38 HD1 ARG 38 -8.334 5.219 -3.770
311 HE ARG 38 HE ARG 38 -8.831 7.602 -5.270
312 HH11 ARG 38 HH11 ARG 38 -9.710 4.183 -4.950
313 HH12 ARG 38 HH12 ARG 38 -11.209 4.327 -5.730
314 HH21 ARG 38 HH21 ARG 38 -10.924 7.823 -6.344
315 HH22 ARG 38 HH22 ARG 38 -11.914 6.463 -6.544
316 H GLU 39 H GLU 39 -5.490 6.306 0.213
317 HA GLU 39 HA GLU 39 -7.005 8.645 0.778
318 HB2 GLU 39 HB2 GLU 39 -5.832 6.574 2.612
319 HB3 GLU 39 HB1 GLU 39 -6.776 7.932 3.187
320 HG2 GLU 39 HG2 GLU 39 -8.652 7.109 1.752
321 HG3 GLU 39 HG1 GLU 39 -7.679 5.666 1.443
322 H ARG 40 H ARG 40 -3.670 7.719 1.298
323 HA ARG 40 HA ARG 40 -2.894 9.798 3.037
324 HB2 ARG 40 HB2 ARG 40 -1.563 7.698 2.176
325 HB3 ARG 40 HB1 ARG 40 -1.073 8.772 0.875
326 HG2 ARG 40 HG2 ARG 40 -0.418 10.379 2.801
327 HG3 ARG 40 HG1 ARG 40 -0.443 8.914 3.778
328 HD2 ARG 40 HD2 ARG 40 1.787 9.097 3.087
329 HD3 ARG 40 HD1 ARG 40 1.094 7.924 1.963
330 HE ARG 40 HE ARG 40 0.728 10.165 0.599
331 HH11 ARG 40 HH11 ARG 40 3.691 8.936 2.136
332 HH12 ARG 40 HH12 ARG 40 4.698 10.013 1.281
333 HH21 ARG 40 HH21 ARG 40 2.069 11.542 -0.509
334 HH22 ARG 40 HH22 ARG 40 3.775 11.551 -0.265
335 H GLU 41 H GLU 41 -2.760 9.468 -0.461
336 HA GLU 41 HA GLU 41 -1.939 12.173 -0.880
337 HB2 GLU 41 HB2 GLU 41 -2.870 10.061 -2.819
338 HB3 GLU 41 HB1 GLU 41 -2.192 11.618 -3.281
339 HG2 GLU 41 HG2 GLU 41 -0.786 9.470 -1.708
340 HG3 GLU 41 HG1 GLU 41 -0.496 9.877 -3.398
341 H GLY 42 H GLY 42 -4.889 10.601 -0.486
342 HA2 GLY 42 HA2 GLY 42 -6.529 12.592 -1.781
343 HA3 GLY 42 HA1 GLY 42 -7.070 11.247 -0.789
344 H ARG 43 H ARG 43 -4.934 12.309 1.165
345 HA ARG 43 HA ARG 43 -6.815 13.844 2.710
346 HB2 ARG 43 HB2 ARG 43 -5.265 12.030 3.590
347 HB3 ARG 43 HB1 ARG 43 -3.953 13.174 3.389
348 HG2 ARG 43 HG2 ARG 43 -4.667 13.108 5.697
349 HG3 ARG 43 HG1 ARG 43 -5.038 14.682 4.997
350 HD2 ARG 43 HD2 ARG 43 -7.068 12.462 5.133
351 HD3 ARG 43 HD1 ARG 43 -6.828 13.602 6.450
352 HE ARG 43 HE ARG 43 -7.333 15.356 4.724
353 HH11 ARG 43 HH11 ARG 43 -8.747 12.107 4.403
354 HH12 ARG 43 HH12 ARG 43 -10.174 12.664 3.663
355 HH21 ARG 43 HH21 ARG 43 -9.301 16.088 3.699
356 HH22 ARG 43 HH22 ARG 43 -10.498 14.966 3.254
357 H ARG 44 H ARG 44 -4.597 14.554 0.364
358 HA ARG 44 HA ARG 44 -4.405 17.361 1.159
359 HB2 ARG 44 HB2 ARG 44 -2.207 15.710 -0.099
360 HB3 ARG 44 HB1 ARG 44 -2.148 17.428 0.225
361 HG2 ARG 44 HG2 ARG 44 -2.272 16.904 2.655
362 HG3 ARG 44 HG1 ARG 44 -2.160 15.188 2.237
363 HD2 ARG 44 HD2 ARG 44 0.045 16.060 2.785
364 HD3 ARG 44 HD1 ARG 44 -0.044 15.627 1.075
365 HE ARG 44 HE ARG 44 -0.417 18.378 2.014
366 HH11 ARG 44 HH11 ARG 44 1.239 16.105 -0.185
367 HH12 ARG 44 HH12 ARG 44 2.004 17.343 -1.064
368 HH21 ARG 44 HH21 ARG 44 0.646 20.042 0.770
369 HH22 ARG 44 HH22 ARG 44 1.686 19.596 -0.503
370 H GLU 45 H GLU 45 -3.695 18.566 -0.948
371 HA GLU 45 HA GLU 45 -5.038 17.307 -3.182
372 HB2 GLU 45 HB2 GLU 45 -4.196 20.167 -2.724
373 HB3 GLU 45 HB1 GLU 45 -4.627 19.576 -4.318
374 HG2 GLU 45 HG2 GLU 45 -6.519 20.675 -3.429
375 HG3 GLU 45 HG1 GLU 45 -6.858 18.954 -3.393
376 H VAL 46 H VAL 46 -3.787 16.098 -4.337
377 HA VAL 46 HA VAL 46 -0.980 16.786 -4.442
378 HB VAL 46 HB VAL 46 -0.618 14.444 -5.354
379 HG11 VAL 46 HG11 VAL 46 -1.900 14.752 -2.637
380 HG12 VAL 46 HG12 VAL 46 -0.214 15.086 -3.027
381 HG13 VAL 46 3HG1 VAL 46 -0.830 13.438 -3.126
382 HG21 VAL 46 HG21 VAL 46 -2.386 12.800 -4.995
383 HG22 VAL 46 HG22 VAL 46 -2.973 14.058 -6.089
384 HG23 VAL 46 HG23 VAL 46 -3.462 14.060 -4.397
385 H ASP 47 H ASP 47 -1.036 18.406 -5.860
386 HA ASP 47 HA ASP 47 -1.534 17.614 -8.642
387 HB2 ASP 47 HB2 ASP 47 -3.053 19.435 -7.866
388 HB3 ASP 47 HB1 ASP 47 -1.646 20.415 -7.475
Start of MODEL 13
1 H2 PRO 1 HT1 PRO 1 11.155 14.781 1.251
2 H3 PRO 1 HT2 PRO 1 10.556 14.441 2.712
3 HA PRO 1 HA PRO 1 8.607 14.245 1.983
4 HB2 PRO 1 HB2 PRO 1 8.630 16.409 -0.018
5 HB3 PRO 1 HB1 PRO 1 7.452 16.071 1.261
6 HG2 PRO 1 HG2 PRO 1 9.249 18.092 1.436
7 HG3 PRO 1 HG1 PRO 1 8.619 17.226 2.844
8 HD2 PRO 1 HD2 PRO 1 11.292 17.044 1.556
9 HD3 PRO 1 HD1 PRO 1 10.832 16.770 3.244
10 H ARG 2 H ARG 2 7.738 13.128 0.143
11 HA ARG 2 HA ARG 2 9.551 12.962 -2.136
12 HB2 ARG 2 HB2 ARG 2 8.347 10.608 -0.704
13 HB3 ARG 2 HB1 ARG 2 9.016 10.505 -2.322
14 HG2 ARG 2 HG2 ARG 2 11.178 11.372 -1.314
15 HG3 ARG 2 HG1 ARG 2 10.431 11.058 0.256
16 HD2 ARG 2 HD2 ARG 2 11.799 9.177 -0.451
17 HD3 ARG 2 HD1 ARG 2 10.098 8.722 -0.360
18 HE ARG 2 HE ARG 2 10.521 9.522 -2.960
19 HH11 ARG 2 HH11 ARG 2 11.753 6.944 -0.883
20 HH12 ARG 2 HH12 ARG 2 12.172 5.928 -2.176
21 HH21 ARG 2 HH21 ARG 2 11.096 8.137 -4.716
22 HH22 ARG 2 HH22 ARG 2 11.813 6.624 -4.411
23 H GLY 3 H GLY 3 8.655 12.668 -4.072
24 HA2 GLY 3 HA2 GLY 3 5.908 13.421 -4.295
25 HA3 GLY 3 HA1 GLY 3 7.024 13.135 -5.622
26 H SER 4 H SER 4 7.751 10.452 -4.641
27 HA SER 4 HA SER 4 5.284 9.136 -5.443
28 HB2 SER 4 HB2 SER 4 7.273 8.765 -6.906
29 HB3 SER 4 HB1 SER 4 8.097 8.041 -5.520
30 HG SER 4 HG SER 4 6.249 6.990 -7.194
31 HA PRO 5 HA PRO 5 5.470 7.577 -1.223
32 HB2 PRO 5 HB2 PRO 5 2.869 7.382 -0.846
33 HB3 PRO 5 HB1 PRO 5 3.669 8.964 -0.792
34 HG2 PRO 5 HG2 PRO 5 1.985 7.753 -2.928
35 HG3 PRO 5 HG1 PRO 5 2.108 9.441 -2.428
36 HD2 PRO 5 HD2 PRO 5 3.398 8.300 -4.625
37 HD3 PRO 5 HD1 PRO 5 3.809 9.852 -3.869
38 H ARG 6 H ARG 6 4.713 6.435 -4.089
39 HA ARG 6 HA ARG 6 3.400 3.988 -3.813
40 HB2 ARG 6 HB2 ARG 6 3.894 4.822 -6.030
41 HB3 ARG 6 HB1 ARG 6 5.624 4.692 -5.741
42 HG2 ARG 6 HG2 ARG 6 5.386 2.248 -5.558
43 HG3 ARG 6 HG1 ARG 6 3.673 2.408 -5.914
44 HD2 ARG 6 HD2 ARG 6 4.126 3.203 -8.106
45 HD3 ARG 6 HD1 ARG 6 5.856 3.343 -7.768
46 HE ARG 6 HE ARG 6 5.490 0.791 -7.276
47 HH11 ARG 6 HH11 ARG 6 4.339 2.672 -10.080
48 HH12 ARG 6 HH12 ARG 6 4.332 1.316 -11.121
49 HH21 ARG 6 HH21 ARG 6 5.494 -1.020 -8.764
50 HH22 ARG 6 HH22 ARG 6 5.018 -0.776 -10.385
51 H THR 7 H THR 7 6.731 4.811 -3.104
52 HA THR 7 HA THR 7 7.772 2.245 -2.824
53 HB THR 7 HB THR 7 9.468 3.496 -1.380
54 HG1 THR 7 HG1 THR 7 9.013 5.474 -0.847
55 HG21 THR 7 HG21 THR 7 8.783 4.612 -4.108
56 HG22 THR 7 HG22 THR 7 9.799 3.201 -3.794
57 HG23 THR 7 HG23 THR 7 10.330 4.805 -3.288
58 H GLU 8 H GLU 8 6.226 4.425 -0.548
59 HA GLU 8 HA GLU 8 6.439 2.815 1.782
60 HB2 GLU 8 HB2 GLU 8 4.430 4.934 1.055
61 HB3 GLU 8 HB1 GLU 8 4.693 4.298 2.671
62 HG2 GLU 8 HG2 GLU 8 6.718 5.809 1.032
63 HG3 GLU 8 HG1 GLU 8 5.767 6.481 2.357
64 H TYR 9 H TYR 9 4.076 3.228 -0.743
65 HA TYR 9 HA TYR 9 2.023 1.677 0.324
66 HB2 TYR 9 HB2 TYR 9 1.285 3.069 -1.317
67 HB3 TYR 9 HB1 TYR 9 2.739 2.883 -2.285
68 HD1 TYR 9 HD1 TYR 9 -0.524 1.431 -1.463
69 HD2 TYR 9 HD2 TYR 9 2.891 1.285 -3.886
70 HE1 TYR 9 HE1 TYR 9 -1.692 -0.154 -2.966
71 HE2 TYR 9 HE2 TYR 9 1.791 -0.295 -5.429
72 HH TYR 9 HH TYR 9 -1.502 -0.839 -5.374
73 H GLU 10 H GLU 10 4.647 0.857 -1.951
74 HA GLU 10 HA GLU 10 3.761 -1.828 -2.106
75 HB2 GLU 10 HB2 GLU 10 6.355 -0.593 -3.025
76 HB3 GLU 10 HB1 GLU 10 5.915 -2.279 -3.295
77 HG2 GLU 10 HG2 GLU 10 3.884 -1.468 -4.495
78 HG3 GLU 10 HG1 GLU 10 4.534 0.163 -4.348
79 H ALA 11 H ALA 11 5.901 -0.138 0.005
80 HA ALA 11 HA ALA 11 7.211 -2.324 1.157
81 HB1 ALA 11 HB1 ALA 11 7.499 -0.890 3.136
82 HB2 ALA 11 HB2 ALA 11 6.273 0.212 2.514
83 HB3 ALA 11 HB3 ALA 11 7.798 0.018 1.655
84 H CYS 12 H CYS 12 4.055 -0.901 1.786
85 HA CYS 12 HA CYS 12 3.203 -2.517 3.920
86 HB2 CYS 12 HB2 CYS 12 1.998 -0.475 3.150
87 HB3 CYS 12 HB1 CYS 12 1.558 -1.307 1.670
88 H ARG 13 H ARG 13 3.031 -2.932 0.435
89 HA ARG 13 HA ARG 13 1.559 -5.353 0.504
90 HB2 ARG 13 HB2 ARG 13 3.183 -4.096 -1.696
91 HB3 ARG 13 HB1 ARG 13 2.198 -5.533 -1.909
92 HG2 ARG 13 HG2 ARG 13 0.206 -4.226 -1.236
93 HG3 ARG 13 HG1 ARG 13 1.224 -2.789 -1.128
94 HD2 ARG 13 HD2 ARG 13 0.020 -2.886 -3.257
95 HD3 ARG 13 HD1 ARG 13 1.764 -2.976 -3.492
96 HE ARG 13 HE ARG 13 0.900 -5.557 -3.315
97 HH11 ARG 13 HH11 ARG 13 -0.004 -2.842 -5.439
98 HH12 ARG 13 HH12 ARG 13 -0.145 -3.776 -6.827
99 HH21 ARG 13 HH21 ARG 13 0.708 -6.864 -5.236
100 HH22 ARG 13 HH22 ARG 13 0.294 -6.169 -6.725
101 H VAL 14 H VAL 14 5.027 -4.656 0.216
102 HA VAL 14 HA VAL 14 5.822 -7.339 -0.116
103 HB VAL 14 HB VAL 14 7.415 -5.059 1.133
104 HG11 VAL 14 HG11 VAL 14 8.374 -7.702 0.018
105 HG12 VAL 14 HG12 VAL 14 8.356 -7.249 1.721
106 HG13 VAL 14 3HG1 VAL 14 9.407 -6.391 0.593
107 HG21 VAL 14 HG21 VAL 14 7.391 -6.128 -1.690
108 HG22 VAL 14 HG22 VAL 14 8.467 -4.875 -1.074
109 HG23 VAL 14 HG23 VAL 14 6.729 -4.581 -1.157
110 H ARG 15 H ARG 15 5.222 -5.401 2.767
111 HA ARG 15 HA ARG 15 5.990 -7.303 4.675
112 HB2 ARG 15 HB2 ARG 15 3.842 -5.186 4.799
113 HB3 ARG 15 HB1 ARG 15 4.253 -6.207 6.166
114 HG2 ARG 15 HG2 ARG 15 6.105 -4.293 4.767
115 HG3 ARG 15 HG1 ARG 15 5.324 -4.028 6.326
116 HD2 ARG 15 HD2 ARG 15 7.378 -6.137 5.649
117 HD3 ARG 15 HD1 ARG 15 7.588 -4.741 6.700
118 HE ARG 15 HE ARG 15 5.578 -5.991 7.898
119 HH11 ARG 15 HH11 ARG 15 8.718 -7.206 6.772
120 HH12 ARG 15 HH12 ARG 15 8.789 -8.483 7.899
121 HH21 ARG 15 HH21 ARG 15 5.694 -7.784 9.458
122 HH22 ARG 15 HH22 ARG 15 7.046 -8.801 9.448
123 H CYS 16 H CYS 16 2.917 -6.853 3.024
124 HA CYS 16 HA CYS 16 1.606 -8.949 4.338
125 HB2 CYS 16 HB2 CYS 16 1.090 -7.688 1.662
126 HB3 CYS 16 HB1 CYS 16 0.010 -8.846 2.436
127 H GLN 17 H GLN 17 3.668 -8.940 1.511
128 HA GLN 17 HA GLN 17 2.975 -11.543 0.682
129 HB2 GLN 17 HB2 GLN 17 5.441 -9.907 0.140
130 HB3 GLN 17 HB1 GLN 17 5.122 -11.469 -0.604
131 HG2 GLN 17 HG2 GLN 17 3.068 -10.576 -1.584
132 HG3 GLN 17 HG1 GLN 17 3.416 -9.006 -0.858
133 HE21 GLN 17 1HE2 GLN 17 5.060 -7.759 -1.711
134 HE22 GLN 17 2HE2 GLN 17 5.777 -8.113 -3.242
135 H VAL 18 H VAL 18 5.340 -10.353 2.969
136 HA VAL 18 HA VAL 18 6.305 -13.062 3.307
137 HB VAL 18 HB VAL 18 8.021 -11.324 3.240
138 HG11 VAL 18 HG11 VAL 18 8.329 -9.704 5.049
139 HG12 VAL 18 HG12 VAL 18 6.790 -10.209 5.746
140 HG13 VAL 18 3HG1 VAL 18 6.829 -9.444 4.157
141 HG21 VAL 18 HG21 VAL 18 7.835 -12.602 5.967
142 HG22 VAL 18 HG22 VAL 18 9.303 -11.935 5.246
143 HG23 VAL 18 HG23 VAL 18 8.516 -13.334 4.514
144 H ALA 19 H ALA 19 4.523 -10.673 5.232
145 HA ALA 19 HA ALA 19 4.461 -12.359 7.549
146 HB1 ALA 19 HB1 ALA 19 4.462 -9.910 7.719
147 HB2 ALA 19 HB2 ALA 19 3.082 -10.635 8.539
148 HB3 ALA 19 HB3 ALA 19 2.871 -9.873 6.962
149 H GLU 20 H GLU 20 1.964 -11.259 5.275
150 HA GLU 20 HA GLU 20 -0.030 -12.968 6.400
151 HB2 GLU 20 HB2 GLU 20 0.036 -11.598 3.698
152 HB3 GLU 20 HB1 GLU 20 -1.379 -12.322 4.439
153 HG2 GLU 20 HG2 GLU 20 0.141 -9.999 5.591
154 HG3 GLU 20 HG1 GLU 20 -1.291 -9.842 4.583
155 H HIS 21 H HIS 21 1.699 -12.911 3.355
156 HA HIS 21 HA HIS 21 2.285 -14.411 1.839
157 HB2 HIS 21 HB2 HIS 21 3.781 -15.130 3.669
158 HB3 HIS 21 HB1 HIS 21 2.575 -16.295 4.191
159 HD1 HIS 21 HD1 HIS 21 2.475 -18.525 2.896
160 HD2 HIS 21 HD2 HIS 21 5.102 -15.758 1.272
161 HE1 HIS 21 HE1 HIS 21 3.825 -19.776 1.172
162 H GLY 22 H GLY 22 0.392 -14.467 0.723
163 HA2 GLY 22 HA2 GLY 22 -0.707 -16.940 0.216
164 HA3 GLY 22 HA1 GLY 22 -1.790 -16.105 1.330
165 H VAL 23 H VAL 23 -2.068 -16.836 -1.545
166 HA VAL 23 HA VAL 23 -1.712 -14.663 -3.263
167 HB VAL 23 HB VAL 23 -3.869 -16.780 -3.451
168 HG11 VAL 23 HG11 VAL 23 -4.285 -14.913 -4.952
169 HG12 VAL 23 HG12 VAL 23 -3.813 -16.352 -5.854
170 HG13 VAL 23 3HG1 VAL 23 -2.650 -15.051 -5.598
171 HG21 VAL 23 HG21 VAL 23 -2.284 -17.975 -4.899
172 HG22 VAL 23 HG22 VAL 23 -1.692 -17.805 -3.247
173 HG23 VAL 23 HG23 VAL 23 -1.054 -16.767 -4.524
174 H GLU 24 H GLU 24 -4.567 -15.575 -1.382
175 HA GLU 24 HA GLU 24 -6.207 -13.509 -2.320
176 HB2 GLU 24 HB2 GLU 24 -7.129 -15.510 -1.221
177 HB3 GLU 24 HB1 GLU 24 -6.364 -15.043 0.286
178 HG2 GLU 24 HG2 GLU 24 -7.737 -13.098 0.453
179 HG3 GLU 24 HG1 GLU 24 -8.438 -13.420 -1.132
180 H ARG 25 H ARG 25 -4.156 -13.774 0.548
181 HA ARG 25 HA ARG 25 -4.853 -11.163 1.326
182 HB2 ARG 25 HB2 ARG 25 -2.677 -12.947 2.382
183 HB3 ARG 25 HB1 ARG 25 -2.978 -11.330 3.020
184 HG2 ARG 25 HG2 ARG 25 -5.349 -12.023 3.421
185 HG3 ARG 25 HG1 ARG 25 -4.874 -13.661 2.993
186 HD2 ARG 25 HD2 ARG 25 -3.312 -13.708 4.853
187 HD3 ARG 25 HD1 ARG 25 -3.714 -12.035 5.253
188 HE ARG 25 HE ARG 25 -5.659 -14.224 5.296
189 HH11 ARG 25 HH11 ARG 25 -4.238 -11.345 6.870
190 HH12 ARG 25 HH12 ARG 25 -5.371 -11.307 8.139
191 HH21 ARG 25 HH21 ARG 25 -7.209 -14.147 7.070
192 HH22 ARG 25 HH22 ARG 25 -7.114 -12.945 8.253
193 H GLN 26 H GLN 26 -2.506 -12.300 -0.848
194 HA GLN 26 HA GLN 26 -0.958 -9.928 -1.043
195 HB2 GLN 26 HB2 GLN 26 -1.677 -11.994 -3.134
196 HB3 GLN 26 HB1 GLN 26 -0.564 -10.675 -3.436
197 HG2 GLN 26 HG2 GLN 26 0.961 -11.556 -1.774
198 HG3 GLN 26 HG1 GLN 26 -0.193 -12.826 -1.367
199 HE21 GLN 26 1HE2 GLN 26 2.534 -13.024 -2.367
200 HE22 GLN 26 2HE2 GLN 26 2.453 -13.952 -3.806
201 H ARG 27 H ARG 27 -3.938 -11.040 -2.572
202 HA ARG 27 HA ARG 27 -4.342 -8.720 -4.162
203 HB2 ARG 27 HB2 ARG 27 -5.380 -10.928 -4.645
204 HB3 ARG 27 HB1 ARG 27 -6.375 -10.755 -3.210
205 HG2 ARG 27 HG2 ARG 27 -7.450 -8.783 -4.196
206 HG3 ARG 27 HG1 ARG 27 -6.454 -8.967 -5.637
207 HD2 ARG 27 HD2 ARG 27 -8.682 -9.913 -5.987
208 HD3 ARG 27 HD1 ARG 27 -7.447 -11.165 -6.060
209 HE ARG 27 HE ARG 27 -8.573 -10.867 -3.453
210 HH11 ARG 27 HH11 ARG 27 -9.152 -12.383 -6.607
211 HH12 ARG 27 HH12 ARG 27 -10.103 -13.648 -5.984
212 HH21 ARG 27 HH21 ARG 27 -9.888 -12.571 -2.606
213 HH22 ARG 27 HH22 ARG 27 -10.531 -13.765 -3.645
214 H ARG 28 H ARG 28 -5.419 -9.761 -0.994
215 HA ARG 28 HA ARG 28 -7.102 -7.704 -0.219
216 HB2 ARG 28 HB2 ARG 28 -5.038 -9.210 1.380
217 HB3 ARG 28 HB1 ARG 28 -6.146 -8.067 2.100
218 HG2 ARG 28 HG2 ARG 28 -7.112 -10.430 0.524
219 HG3 ARG 28 HG1 ARG 28 -6.789 -10.500 2.260
220 HD2 ARG 28 HD2 ARG 28 -8.684 -8.580 0.914
221 HD3 ARG 28 HD1 ARG 28 -9.150 -10.046 1.781
222 HE ARG 28 HE ARG 28 -7.689 -8.774 3.603
223 HH11 ARG 28 HH11 ARG 28 -10.301 -7.503 1.572
224 HH12 ARG 28 HH12 ARG 28 -10.881 -6.458 2.784
225 HH21 ARG 28 HH21 ARG 28 -8.474 -7.317 5.208
226 HH22 ARG 28 HH22 ARG 28 -9.842 -6.355 4.901
227 H CYS 29 H CYS 29 -3.585 -7.839 0.410
228 HA CYS 29 HA CYS 29 -3.532 -5.158 1.202
229 HB2 CYS 29 HB2 CYS 29 -1.374 -7.137 0.570
230 HB3 CYS 29 HB1 CYS 29 -1.024 -5.482 1.088
231 H GLN 30 H GLN 30 -3.311 -6.582 -1.919
232 HA GLN 30 HA GLN 30 -2.063 -4.521 -3.360
233 HB2 GLN 30 HB2 GLN 30 -2.606 -6.718 -4.302
234 HB3 GLN 30 HB1 GLN 30 -4.316 -6.390 -4.112
235 HG2 GLN 30 HG2 GLN 30 -4.054 -4.520 -5.739
236 HG3 GLN 30 HG1 GLN 30 -2.400 -5.075 -6.015
237 HE21 GLN 30 1HE2 GLN 30 -5.753 -5.810 -6.397
238 HE22 GLN 30 2HE2 GLN 30 -5.574 -7.081 -7.545
239 H GLN 31 H GLN 31 -5.378 -5.054 -2.321
240 HA GLN 31 HA GLN 31 -6.333 -2.566 -3.455
241 HB2 GLN 31 HB2 GLN 31 -7.782 -4.497 -1.637
242 HB3 GLN 31 HB1 GLN 31 -8.503 -3.244 -2.633
243 HG2 GLN 31 HG2 GLN 31 -7.115 -5.733 -3.620
244 HG3 GLN 31 HG1 GLN 31 -8.849 -5.439 -3.595
245 HE21 GLN 31 1HE2 GLN 31 -9.725 -4.047 -5.093
246 HE22 GLN 31 2HE2 GLN 31 -8.893 -3.544 -6.510
247 H VAL 32 H VAL 32 -6.016 -4.009 -0.219
248 HA VAL 32 HA VAL 32 -6.982 -1.821 1.223
249 HB VAL 32 HB VAL 32 -5.184 -4.076 2.174
250 HG11 VAL 32 HG11 VAL 32 -4.963 -2.159 3.688
251 HG12 VAL 32 HG12 VAL 32 -5.860 -3.471 4.456
252 HG13 VAL 32 3HG1 VAL 32 -6.719 -2.064 3.828
253 HG21 VAL 32 HG21 VAL 32 -8.158 -3.626 2.431
254 HG22 VAL 32 HG22 VAL 32 -7.262 -4.975 3.128
255 HG23 VAL 32 HG23 VAL 32 -7.370 -4.799 1.376
256 H CYS 33 H CYS 33 -3.551 -2.644 0.493
257 HA CYS 33 HA CYS 33 -2.631 -0.432 2.011
258 HB2 CYS 33 HB2 CYS 33 -1.168 -1.960 -0.162
259 HB3 CYS 33 HB1 CYS 33 -0.423 -0.799 0.928
260 H GLU 34 H GLU 34 -3.879 -0.740 -1.188
261 HA GLU 34 HA GLU 34 -2.872 1.727 -2.191
262 HB2 GLU 34 HB2 GLU 34 -3.715 -0.015 -3.710
263 HB3 GLU 34 HB1 GLU 34 -5.305 0.105 -2.980
264 HG2 GLU 34 HG2 GLU 34 -5.556 2.358 -3.819
265 HG3 GLU 34 HG1 GLU 34 -3.930 2.313 -4.492
266 H LYS 35 H LYS 35 -5.855 0.678 -0.640
267 HA LYS 35 HA LYS 35 -7.152 3.164 -0.590
268 HB2 LYS 35 HB2 LYS 35 -7.384 0.932 1.449
269 HB3 LYS 35 HB1 LYS 35 -8.520 2.255 1.242
270 HG2 LYS 35 HG2 LYS 35 -8.962 1.402 -1.044
271 HG3 LYS 35 HG1 LYS 35 -7.939 0.017 -0.656
272 HD2 LYS 35 HD2 LYS 35 -9.392 -0.482 1.272
273 HD3 LYS 35 HD1 LYS 35 -10.446 0.850 0.791
274 HE2 LYS 35 HE2 LYS 35 -10.739 -0.248 -1.394
275 HE3 LYS 35 HE1 LYS 35 -9.799 -1.611 -0.784
276 HZ1 LYS 35 HZ1 LYS 35 -12.101 -2.123 -0.543
277 HZ2 LYS 35 HZ2 LYS 35 -12.432 -0.662 0.183
278 HZ3 LYS 35 HZ3 LYS 35 -11.535 -1.820 1.019
279 H ARG 36 H ARG 36 -5.023 1.607 1.735
280 HA ARG 36 HA ARG 36 -4.980 3.584 3.706
281 HB2 ARG 36 HB2 ARG 36 -2.799 1.667 2.898
282 HB3 ARG 36 HB1 ARG 36 -2.781 2.613 4.374
283 HG2 ARG 36 HG2 ARG 36 -4.892 1.473 5.053
284 HG3 ARG 36 HG1 ARG 36 -4.739 0.448 3.624
285 HD2 ARG 36 HD2 ARG 36 -3.853 -0.705 5.545
286 HD3 ARG 36 HD1 ARG 36 -2.534 -0.289 4.444
287 HE ARG 36 HE ARG 36 -3.046 1.644 6.492
288 HH11 ARG 36 HH11 ARG 36 -1.218 -1.327 5.778
289 HH12 ARG 36 HH12 ARG 36 0.014 -0.959 6.889
290 HH21 ARG 36 HH21 ARG 36 -1.347 2.075 8.045
291 HH22 ARG 36 HH22 ARG 36 -0.061 0.977 8.197
292 H LEU 37 H LEU 37 -3.010 3.170 0.844
293 HA LEU 37 HA LEU 37 -1.214 5.278 1.231
294 HB2 LEU 37 HB2 LEU 37 -0.971 3.398 -0.389
295 HB3 LEU 37 HB1 LEU 37 -2.259 4.072 -1.348
296 HG LEU 37 HG LEU 37 0.056 4.383 -2.265
297 HD11 LEU 37 HD11 LEU 37 -1.457 6.910 -1.724
298 HD12 LEU 37 HD12 LEU 37 -1.711 5.782 -3.059
299 HD13 LEU 37 HD13 LEU 37 -0.203 6.692 -2.947
300 HD21 LEU 37 HD21 LEU 37 1.488 6.059 -1.325
301 HD22 LEU 37 HD22 LEU 37 1.190 4.796 -0.123
302 HD23 LEU 37 HD23 LEU 37 0.355 6.348 -0.009
303 H ARG 38 H ARG 38 -4.330 5.098 -0.407
304 HA ARG 38 HA ARG 38 -4.270 7.835 -1.175
305 HB2 ARG 38 HB2 ARG 38 -6.563 5.880 -1.193
306 HB3 ARG 38 HB1 ARG 38 -6.605 7.491 -1.897
307 HG2 ARG 38 HG2 ARG 38 -4.830 5.209 -2.767
308 HG3 ARG 38 HG1 ARG 38 -6.256 5.802 -3.612
309 HD2 ARG 38 HD2 ARG 38 -3.693 7.345 -3.127
310 HD3 ARG 38 HD1 ARG 38 -4.200 6.630 -4.648
311 HE ARG 38 HE ARG 38 -6.241 8.305 -3.914
312 HH11 ARG 38 HH11 ARG 38 -2.819 8.669 -4.774
313 HH12 ARG 38 HH12 ARG 38 -2.954 10.301 -5.230
314 HH21 ARG 38 HH21 ARG 38 -6.441 10.562 -4.598
315 HH22 ARG 38 HH22 ARG 38 -5.066 11.386 -5.150
316 H GLU 39 H GLU 39 -5.350 6.203 1.704
317 HA GLU 39 HA GLU 39 -7.037 8.223 2.760
318 HB2 GLU 39 HB2 GLU 39 -5.051 6.491 4.249
319 HB3 GLU 39 HB1 GLU 39 -6.289 7.456 5.020
320 HG2 GLU 39 HG2 GLU 39 -7.999 6.050 3.998
321 HG3 GLU 39 HG1 GLU 39 -6.740 5.089 3.220
322 H ARG 40 H ARG 40 -3.617 7.689 2.918
323 HA ARG 40 HA ARG 40 -2.772 9.914 4.371
324 HB2 ARG 40 HB2 ARG 40 -1.433 8.594 2.031
325 HB3 ARG 40 HB1 ARG 40 -0.659 9.676 3.166
326 HG2 ARG 40 HG2 ARG 40 -0.889 8.055 4.929
327 HG3 ARG 40 HG1 ARG 40 -1.847 7.008 3.873
328 HD2 ARG 40 HD2 ARG 40 0.521 6.287 4.042
329 HD3 ARG 40 HD1 ARG 40 0.032 6.677 2.396
330 HE ARG 40 HE ARG 40 1.834 8.183 4.121
331 HH11 ARG 40 HH11 ARG 40 0.203 7.945 0.986
332 HH12 ARG 40 HH12 ARG 40 1.130 9.098 0.189
333 HH21 ARG 40 HH21 ARG 40 3.253 9.740 3.007
334 HH22 ARG 40 HH22 ARG 40 3.019 10.080 1.366
335 H GLU 41 H GLU 41 -3.107 9.469 0.871
336 HA GLU 41 HA GLU 41 -2.270 11.982 0.025
337 HB2 GLU 41 HB2 GLU 41 -4.336 10.238 -1.320
338 HB3 GLU 41 HB1 GLU 41 -3.362 11.482 -2.084
339 HG2 GLU 41 HG2 GLU 41 -2.332 8.909 -0.898
340 HG3 GLU 41 HG1 GLU 41 -2.556 9.245 -2.612
341 H GLY 42 H GLY 42 -5.531 10.828 0.873
342 HA2 GLY 42 HA2 GLY 42 -6.756 13.324 0.157
343 HA3 GLY 42 HA1 GLY 42 -7.532 11.960 0.942
344 H ARG 43 H ARG 43 -5.105 12.244 2.871
345 HA ARG 43 HA ARG 43 -6.521 13.990 4.740
346 HB2 ARG 43 HB2 ARG 43 -5.845 11.691 5.382
347 HB3 ARG 43 HB1 ARG 43 -4.168 12.136 5.137
348 HG2 ARG 43 HG2 ARG 43 -4.383 13.786 6.970
349 HG3 ARG 43 HG1 ARG 43 -6.034 13.215 7.242
350 HD2 ARG 43 HD2 ARG 43 -4.511 12.117 8.779
351 HD3 ARG 43 HD1 ARG 43 -5.167 10.947 7.630
352 HE ARG 43 HE ARG 43 -2.536 12.190 7.246
353 HH11 ARG 43 HH11 ARG 43 -4.472 9.227 7.512
354 HH12 ARG 43 HH12 ARG 43 -3.213 8.190 7.051
355 HH21 ARG 43 HH21 ARG 43 -0.804 10.782 6.603
356 HH22 ARG 43 HH22 ARG 43 -1.041 9.107 6.573
357 H ARG 44 H ARG 44 -3.755 13.954 2.704
358 HA ARG 44 HA ARG 44 -2.400 16.026 4.240
359 HB2 ARG 44 HB2 ARG 44 -1.523 14.559 1.757
360 HB3 ARG 44 HB1 ARG 44 -0.581 15.782 2.588
361 HG2 ARG 44 HG2 ARG 44 -0.565 14.331 4.589
362 HG3 ARG 44 HG1 ARG 44 -1.397 13.092 3.649
363 HD2 ARG 44 HD2 ARG 44 1.291 14.290 2.997
364 HD3 ARG 44 HD1 ARG 44 1.023 12.711 3.721
365 HE ARG 44 HE ARG 44 -0.226 12.202 1.586
366 HH11 ARG 44 HH11 ARG 44 2.423 14.593 1.627
367 HH12 ARG 44 HH12 ARG 44 2.943 14.206 0.062
368 HH21 ARG 44 HH21 ARG 44 0.573 11.682 -0.596
369 HH22 ARG 44 HH22 ARG 44 1.883 12.574 -1.226
370 H GLU 45 H GLU 45 -2.891 18.064 3.849
371 HA GLU 45 HA GLU 45 -3.795 18.860 1.188
372 HB2 GLU 45 HB2 GLU 45 -3.613 20.410 3.789
373 HB3 GLU 45 HB1 GLU 45 -4.257 21.049 2.289
374 HG2 GLU 45 HG2 GLU 45 -5.403 18.829 3.965
375 HG3 GLU 45 HG1 GLU 45 -6.078 20.437 3.711
376 H VAL 46 H VAL 46 -1.086 18.008 1.819
377 HA VAL 46 HA VAL 46 0.374 20.237 0.731
378 HB VAL 46 HB VAL 46 0.640 20.488 3.194
379 HG11 VAL 46 HG11 VAL 46 1.815 17.722 3.141
380 HG12 VAL 46 HG12 VAL 46 0.297 18.211 3.888
381 HG13 VAL 46 3HG1 VAL 46 1.828 18.818 4.526
382 HG21 VAL 46 HG21 VAL 46 3.096 20.522 3.312
383 HG22 VAL 46 HG22 VAL 46 2.510 21.159 1.771
384 HG23 VAL 46 HG23 VAL 46 3.170 19.528 1.856
385 H ASP 47 H ASP 47 2.259 19.499 -0.347
386 HA ASP 47 HA ASP 47 2.519 16.598 -0.596
387 HB2 ASP 47 HB2 ASP 47 1.544 17.402 -2.667
388 HB3 ASP 47 HB1 ASP 47 2.740 18.690 -2.774
Start of MODEL 14
1 H2 PRO 1 HT1 PRO 1 6.672 6.298 3.289
2 H3 PRO 1 HT2 PRO 1 7.454 5.697 4.554
3 HA PRO 1 HA PRO 1 8.171 7.565 4.907
4 HB2 PRO 1 HB2 PRO 1 10.057 8.170 3.075
5 HB3 PRO 1 HB1 PRO 1 10.305 6.978 4.361
6 HG2 PRO 1 HG2 PRO 1 9.802 6.559 1.484
7 HG3 PRO 1 HG1 PRO 1 10.616 5.505 2.647
8 HD2 PRO 1 HD2 PRO 1 7.965 5.256 1.682
9 HD3 PRO 1 HD1 PRO 1 8.690 4.331 3.002
10 H ARG 2 H ARG 2 8.997 9.730 3.441
11 HA ARG 2 HA ARG 2 6.649 10.369 1.852
12 HB2 ARG 2 HB2 ARG 2 8.689 12.133 3.239
13 HB3 ARG 2 HB1 ARG 2 7.401 12.727 2.201
14 HG2 ARG 2 HG2 ARG 2 5.722 11.903 3.711
15 HG3 ARG 2 HG1 ARG 2 6.953 11.140 4.715
16 HD2 ARG 2 HD2 ARG 2 6.159 13.238 5.686
17 HD3 ARG 2 HD1 ARG 2 7.870 13.319 5.281
18 HE ARG 2 HE ARG 2 6.814 14.397 3.114
19 HH11 ARG 2 HH11 ARG 2 6.007 15.010 6.532
20 HH12 ARG 2 HH12 ARG 2 5.592 16.641 6.270
21 HH21 ARG 2 HH21 ARG 2 6.287 16.691 2.794
22 HH22 ARG 2 HH22 ARG 2 5.764 17.607 4.123
23 H GLY 3 H GLY 3 7.413 12.109 0.057
24 HA2 GLY 3 HA2 GLY 3 8.898 12.554 -1.700
25 HA3 GLY 3 HA1 GLY 3 9.964 11.294 -1.084
26 H SER 4 H SER 4 9.038 9.080 -1.173
27 HA SER 4 HA SER 4 7.403 8.743 -3.569
28 HB2 SER 4 HB2 SER 4 9.601 6.929 -2.541
29 HB3 SER 4 HB1 SER 4 8.598 6.610 -3.957
30 HG SER 4 HG SER 4 10.125 8.955 -3.649
31 HA PRO 5 HA PRO 5 5.025 6.861 -0.220
32 HB2 PRO 5 HB2 PRO 5 2.585 7.564 -1.093
33 HB3 PRO 5 HB1 PRO 5 3.645 8.712 -0.272
34 HG2 PRO 5 HG2 PRO 5 3.040 8.437 -3.174
35 HG3 PRO 5 HG1 PRO 5 3.309 9.897 -2.208
36 HD2 PRO 5 HD2 PRO 5 5.194 8.678 -3.848
37 HD3 PRO 5 HD1 PRO 5 5.559 9.828 -2.548
38 H ARG 6 H ARG 6 4.901 6.425 -3.674
39 HA ARG 6 HA ARG 6 2.961 4.331 -3.682
40 HB2 ARG 6 HB2 ARG 6 5.106 4.821 -5.764
41 HB3 ARG 6 HB1 ARG 6 3.634 3.893 -5.974
42 HG2 ARG 6 HG2 ARG 6 3.776 6.864 -5.487
43 HG3 ARG 6 HG1 ARG 6 3.504 6.089 -7.043
44 HD2 ARG 6 HD2 ARG 6 1.382 5.203 -6.263
45 HD3 ARG 6 HD1 ARG 6 1.684 5.833 -4.638
46 HE ARG 6 HE ARG 6 1.885 7.884 -6.538
47 HH11 ARG 6 HH11 ARG 6 -0.686 5.944 -5.010
48 HH12 ARG 6 HH12 ARG 6 -1.816 7.222 -5.016
49 HH21 ARG 6 HH21 ARG 6 0.304 9.581 -6.587
50 HH22 ARG 6 HH22 ARG 6 -1.257 9.309 -5.956
51 H THR 7 H THR 7 6.443 4.481 -3.315
52 HA THR 7 HA THR 7 6.861 1.705 -3.545
53 HB THR 7 HB THR 7 9.071 2.308 -2.484
54 HG1 THR 7 HG1 THR 7 9.426 4.368 -1.972
55 HG21 THR 7 HG21 THR 7 9.834 3.556 -4.465
56 HG22 THR 7 HG22 THR 7 8.149 3.857 -4.898
57 HG23 THR 7 HG23 THR 7 8.782 2.210 -4.896
58 H GLU 8 H GLU 8 5.995 3.848 -0.958
59 HA GLU 8 HA GLU 8 6.535 2.092 1.229
60 HB2 GLU 8 HB2 GLU 8 6.097 4.570 1.421
61 HB3 GLU 8 HB1 GLU 8 4.416 4.238 1.044
62 HG2 GLU 8 HG2 GLU 8 4.302 2.780 3.036
63 HG3 GLU 8 HG1 GLU 8 5.942 3.281 3.447
64 H TYR 9 H TYR 9 3.733 2.912 -0.676
65 HA TYR 9 HA TYR 9 1.933 1.085 0.404
66 HB2 TYR 9 HB2 TYR 9 0.726 2.535 -0.818
67 HB3 TYR 9 HB1 TYR 9 2.093 2.940 -1.832
68 HD1 TYR 9 HD1 TYR 9 2.071 2.354 -4.029
69 HD2 TYR 9 HD2 TYR 9 -0.546 0.350 -1.377
70 HE1 TYR 9 HE1 TYR 9 1.036 1.252 -5.929
71 HE2 TYR 9 HE2 TYR 9 -1.618 -0.770 -3.264
72 HH TYR 9 HH TYR 9 -1.931 -0.359 -5.797
73 H GLU 10 H GLU 10 4.235 0.793 -2.252
74 HA GLU 10 HA GLU 10 3.532 -1.810 -3.033
75 HB2 GLU 10 HB2 GLU 10 4.998 -0.231 -4.314
76 HB3 GLU 10 HB1 GLU 10 6.274 -0.561 -3.152
77 HG2 GLU 10 HG2 GLU 10 6.202 -2.936 -3.780
78 HG3 GLU 10 HG1 GLU 10 4.963 -2.542 -4.975
79 H ALA 11 H ALA 11 5.870 -0.602 -0.676
80 HA ALA 11 HA ALA 11 6.896 -3.083 0.134
81 HB1 ALA 11 HB1 ALA 11 7.955 -0.927 0.655
82 HB2 ALA 11 HB2 ALA 11 7.711 -1.908 2.098
83 HB3 ALA 11 HB3 ALA 11 6.630 -0.556 1.756
84 H CYS 12 H CYS 12 4.069 -1.294 1.111
85 HA CYS 12 HA CYS 12 3.288 -2.810 3.359
86 HB2 CYS 12 HB2 CYS 12 2.352 -0.574 2.638
87 HB3 CYS 12 HB1 CYS 12 1.514 -1.400 1.340
88 H ARG 13 H ARG 13 2.718 -3.153 -0.085
89 HA ARG 13 HA ARG 13 0.948 -5.354 -0.054
90 HB2 ARG 13 HB2 ARG 13 2.886 -4.369 -2.159
91 HB3 ARG 13 HB1 ARG 13 1.684 -5.624 -2.420
92 HG2 ARG 13 HG2 ARG 13 -0.085 -4.127 -2.093
93 HG3 ARG 13 HG1 ARG 13 0.983 -2.844 -1.529
94 HD2 ARG 13 HD2 ARG 13 0.203 -2.485 -3.859
95 HD3 ARG 13 HD1 ARG 13 1.948 -2.624 -3.758
96 HE ARG 13 HE ARG 13 1.260 -5.117 -4.326
97 HH11 ARG 13 HH11 ARG 13 0.033 -2.101 -5.870
98 HH12 ARG 13 HH12 ARG 13 -0.045 -2.814 -7.390
99 HH21 ARG 13 HH21 ARG 13 1.124 -6.006 -6.457
100 HH22 ARG 13 HH22 ARG 13 0.573 -5.065 -7.758
101 H VAL 14 H VAL 14 4.439 -5.124 -0.594
102 HA VAL 14 HA VAL 14 4.929 -7.887 -0.776
103 HB VAL 14 HB VAL 14 6.881 -5.707 0.055
104 HG11 VAL 14 HG11 VAL 14 7.392 -8.467 -1.052
105 HG12 VAL 14 HG12 VAL 14 7.738 -7.924 0.589
106 HG13 VAL 14 3HG1 VAL 14 8.623 -7.236 -0.775
107 HG21 VAL 14 HG21 VAL 14 6.278 -6.835 -2.681
108 HG22 VAL 14 HG22 VAL 14 7.552 -5.674 -2.308
109 HG23 VAL 14 HG23 VAL 14 5.860 -5.222 -2.107
110 H ARG 15 H ARG 15 4.788 -5.716 1.972
111 HA ARG 15 HA ARG 15 5.891 -7.356 3.940
112 HB2 ARG 15 HB2 ARG 15 5.307 -4.981 4.288
113 HB3 ARG 15 HB1 ARG 15 3.604 -5.401 4.258
114 HG2 ARG 15 HG2 ARG 15 4.316 -5.108 6.545
115 HG3 ARG 15 HG1 ARG 15 3.942 -6.807 6.260
116 HD2 ARG 15 HD2 ARG 15 5.976 -6.594 7.575
117 HD3 ARG 15 HD1 ARG 15 6.348 -7.276 5.994
118 HE ARG 15 HE ARG 15 6.603 -4.444 6.048
119 HH11 ARG 15 HH11 ARG 15 8.337 -7.445 6.798
120 HH12 ARG 15 HH12 ARG 15 9.875 -6.719 6.740
121 HH21 ARG 15 HH21 ARG 15 8.755 -3.464 5.976
122 HH22 ARG 15 HH22 ARG 15 10.110 -4.432 6.265
123 H CYS 16 H CYS 16 2.509 -7.054 2.885
124 HA CYS 16 HA CYS 16 1.568 -9.116 4.563
125 HB2 CYS 16 HB2 CYS 16 0.444 -7.887 2.079
126 HB3 CYS 16 HB1 CYS 16 -0.365 -9.206 2.914
127 H GLN 17 H GLN 17 3.020 -9.159 1.419
128 HA GLN 17 HA GLN 17 2.299 -11.772 0.691
129 HB2 GLN 17 HB2 GLN 17 3.255 -10.060 -0.853
130 HB3 GLN 17 HB1 GLN 17 4.794 -10.198 -0.038
131 HG2 GLN 17 HG2 GLN 17 3.506 -12.544 -1.398
132 HG3 GLN 17 HG1 GLN 17 4.467 -11.381 -2.295
133 HE21 GLN 17 1HE2 GLN 17 6.398 -11.000 -0.136
134 HE22 GLN 17 2HE2 GLN 17 7.325 -12.440 -0.078
135 H VAL 18 H VAL 18 4.749 -10.499 2.815
136 HA VAL 18 HA VAL 18 5.910 -13.132 3.247
137 HB VAL 18 HB VAL 18 6.561 -10.516 4.636
138 HG11 VAL 18 HG11 VAL 18 7.215 -12.466 5.931
139 HG12 VAL 18 HG12 VAL 18 8.634 -11.630 5.304
140 HG13 VAL 18 3HG1 VAL 18 8.082 -13.120 4.541
141 HG21 VAL 18 HG21 VAL 18 8.536 -10.422 3.171
142 HG22 VAL 18 HG22 VAL 18 7.034 -10.351 2.249
143 HG23 VAL 18 HG23 VAL 18 7.957 -11.851 2.316
144 H ALA 19 H ALA 19 4.384 -10.608 5.243
145 HA ALA 19 HA ALA 19 4.324 -12.121 7.598
146 HB1 ALA 19 HB1 ALA 19 2.951 -10.355 8.514
147 HB2 ALA 19 HB2 ALA 19 2.646 -9.733 6.890
148 HB3 ALA 19 HB3 ALA 19 4.275 -9.683 7.561
149 H GLU 20 H GLU 20 1.738 -11.539 5.219
150 HA GLU 20 HA GLU 20 -0.078 -13.170 6.796
151 HB2 GLU 20 HB2 GLU 20 -0.493 -12.014 4.033
152 HB3 GLU 20 HB1 GLU 20 -1.727 -12.706 5.071
153 HG2 GLU 20 HG2 GLU 20 -0.199 -10.158 5.530
154 HG3 GLU 20 HG1 GLU 20 -1.882 -10.299 5.052
155 H HIS 21 H HIS 21 1.750 -13.279 3.844
156 HA HIS 21 HA HIS 21 2.478 -14.865 2.464
157 HB2 HIS 21 HB2 HIS 21 3.386 -15.903 4.525
158 HB3 HIS 21 HB1 HIS 21 1.892 -16.805 4.723
159 HD1 HIS 21 HD1 HIS 21 2.197 -19.191 3.987
160 HD2 HIS 21 HD2 HIS 21 4.499 -16.549 1.756
161 HE1 HIS 21 HE1 HIS 21 3.502 -20.607 2.354
162 H GLY 22 H GLY 22 1.183 -14.880 0.782
163 HA2 GLY 22 HA2 GLY 22 -0.219 -16.880 -0.158
164 HA3 GLY 22 HA1 GLY 22 -1.399 -16.161 0.941
165 H VAL 23 H VAL 23 -1.335 -16.361 -2.009
166 HA VAL 23 HA VAL 23 -0.758 -13.821 -3.126
167 HB VAL 23 HB VAL 23 -2.578 -16.004 -4.200
168 HG11 VAL 23 HG11 VAL 23 -2.239 -14.958 -6.397
169 HG12 VAL 23 HG12 VAL 23 -1.327 -13.657 -5.634
170 HG13 VAL 23 3HG1 VAL 23 -3.041 -13.859 -5.274
171 HG21 VAL 23 HG21 VAL 23 -0.290 -16.773 -3.852
172 HG22 VAL 23 HG22 VAL 23 0.321 -15.409 -4.785
173 HG23 VAL 23 HG23 VAL 23 -0.654 -16.646 -5.572
174 H GLU 24 H GLU 24 -3.731 -15.305 -1.964
175 HA GLU 24 HA GLU 24 -5.440 -13.164 -2.736
176 HB2 GLU 24 HB2 GLU 24 -5.927 -15.154 -0.488
177 HB3 GLU 24 HB1 GLU 24 -7.122 -14.114 -1.220
178 HG2 GLU 24 HG2 GLU 24 -7.459 -16.301 -2.060
179 HG3 GLU 24 HG1 GLU 24 -6.784 -15.332 -3.364
180 H ARG 25 H ARG 25 -3.640 -13.942 0.107
181 HA ARG 25 HA ARG 25 -4.568 -11.851 1.773
182 HB2 ARG 25 HB2 ARG 25 -1.947 -13.358 1.785
183 HB3 ARG 25 HB1 ARG 25 -2.471 -12.264 3.057
184 HG2 ARG 25 HG2 ARG 25 -3.911 -14.789 2.240
185 HG3 ARG 25 HG1 ARG 25 -2.849 -14.613 3.643
186 HD2 ARG 25 HD2 ARG 25 -4.312 -12.930 4.563
187 HD3 ARG 25 HD1 ARG 25 -5.361 -13.024 3.152
188 HE ARG 25 HE ARG 25 -5.224 -15.556 4.234
189 HH11 ARG 25 HH11 ARG 25 -6.292 -12.341 5.195
190 HH12 ARG 25 HH12 ARG 25 -7.547 -12.886 6.214
191 HH21 ARG 25 HH21 ARG 25 -6.954 -16.341 5.667
192 HH22 ARG 25 HH22 ARG 25 -7.921 -15.230 6.498
193 H GLN 26 H GLN 26 -1.780 -12.112 -0.368
194 HA GLN 26 HA GLN 26 -0.724 -9.549 0.045
195 HB2 GLN 26 HB2 GLN 26 0.538 -11.327 -1.007
196 HB3 GLN 26 HB1 GLN 26 -0.608 -11.395 -2.333
197 HG2 GLN 26 HG2 GLN 26 0.060 -9.123 -2.990
198 HG3 GLN 26 HG1 GLN 26 1.258 -9.123 -1.696
199 HE21 GLN 26 1HE2 GLN 26 2.943 -8.903 -3.199
200 HE22 GLN 26 2HE2 GLN 26 3.458 -10.230 -4.163
201 H ARG 27 H ARG 27 -3.004 -10.789 -2.370
202 HA ARG 27 HA ARG 27 -3.354 -8.416 -3.797
203 HB2 ARG 27 HB2 ARG 27 -4.086 -10.557 -4.690
204 HB3 ARG 27 HB1 ARG 27 -5.286 -10.703 -3.414
205 HG2 ARG 27 HG2 ARG 27 -6.449 -8.735 -4.280
206 HG3 ARG 27 HG1 ARG 27 -5.253 -8.601 -5.568
207 HD2 ARG 27 HD2 ARG 27 -5.901 -10.730 -6.454
208 HD3 ARG 27 HD1 ARG 27 -7.015 -11.001 -5.114
209 HE ARG 27 HE ARG 27 -7.705 -8.613 -6.337
210 HH11 ARG 27 HH11 ARG 27 -7.639 -12.040 -7.155
211 HH12 ARG 27 HH12 ARG 27 -8.963 -11.974 -8.220
212 HH21 ARG 27 HH21 ARG 27 -9.536 -8.486 -7.770
213 HH22 ARG 27 HH22 ARG 27 -10.093 -9.894 -8.561
214 H ARG 28 H ARG 28 -5.076 -9.665 -0.967
215 HA ARG 28 HA ARG 28 -7.027 -7.644 -0.829
216 HB2 ARG 28 HB2 ARG 28 -7.053 -9.717 0.551
217 HB3 ARG 28 HB1 ARG 28 -5.738 -9.051 1.514
218 HG2 ARG 28 HG2 ARG 28 -7.212 -7.116 2.066
219 HG3 ARG 28 HG1 ARG 28 -8.526 -7.954 1.242
220 HD2 ARG 28 HD2 ARG 28 -7.002 -8.910 3.650
221 HD3 ARG 28 HD1 ARG 28 -8.666 -8.327 3.623
222 HE ARG 28 HE ARG 28 -8.180 -10.548 1.894
223 HH11 ARG 28 HH11 ARG 28 -9.016 -9.629 5.227
224 HH12 ARG 28 HH12 ARG 28 -9.747 -11.129 5.552
225 HH21 ARG 28 HH21 ARG 28 -9.130 -12.580 2.411
226 HH22 ARG 28 HH22 ARG 28 -9.826 -12.824 3.953
227 H CYS 29 H CYS 29 -3.810 -7.900 0.677
228 HA CYS 29 HA CYS 29 -3.908 -5.368 1.828
229 HB2 CYS 29 HB2 CYS 29 -1.639 -7.190 1.140
230 HB3 CYS 29 HB1 CYS 29 -1.373 -5.603 1.857
231 H GLN 30 H GLN 30 -2.991 -6.408 -1.387
232 HA GLN 30 HA GLN 30 -1.896 -3.992 -2.279
233 HB2 GLN 30 HB2 GLN 30 -1.870 -5.987 -3.694
234 HB3 GLN 30 HB1 GLN 30 -3.626 -5.951 -3.800
235 HG2 GLN 30 HG2 GLN 30 -3.473 -3.756 -4.927
236 HG3 GLN 30 HG1 GLN 30 -1.720 -3.898 -4.897
237 HE21 GLN 30 1HE2 GLN 30 -1.779 -6.792 -5.467
238 HE22 GLN 30 2HE2 GLN 30 -2.196 -6.923 -7.115
239 H GLN 31 H GLN 31 -5.229 -4.997 -1.992
240 HA GLN 31 HA GLN 31 -6.301 -2.603 -3.104
241 HB2 GLN 31 HB2 GLN 31 -7.636 -4.525 -1.196
242 HB3 GLN 31 HB1 GLN 31 -8.436 -3.358 -2.230
243 HG2 GLN 31 HG2 GLN 31 -6.960 -5.840 -3.074
244 HG3 GLN 31 HG1 GLN 31 -8.693 -5.541 -3.162
245 HE21 GLN 31 1HE2 GLN 31 -5.656 -5.064 -4.635
246 HE22 GLN 31 2HE2 GLN 31 -6.219 -4.317 -6.088
247 H VAL 32 H VAL 32 -5.980 -3.820 0.205
248 HA VAL 32 HA VAL 32 -7.009 -1.598 1.539
249 HB VAL 32 HB VAL 32 -4.952 -3.585 2.561
250 HG11 VAL 32 HG11 VAL 32 -5.000 -1.581 3.953
251 HG12 VAL 32 HG12 VAL 32 -5.710 -2.952 4.805
252 HG13 VAL 32 3HG1 VAL 32 -6.752 -1.715 4.103
253 HG21 VAL 32 HG21 VAL 32 -6.877 -4.715 3.576
254 HG22 VAL 32 HG22 VAL 32 -7.012 -4.653 1.818
255 HG23 VAL 32 HG23 VAL 32 -7.957 -3.547 2.814
256 H CYS 33 H CYS 33 -3.586 -2.345 0.819
257 HA CYS 33 HA CYS 33 -2.660 0.035 2.034
258 HB2 CYS 33 HB2 CYS 33 -1.231 -1.705 0.006
259 HB3 CYS 33 HB1 CYS 33 -0.483 -0.499 1.046
260 H GLU 34 H GLU 34 -3.867 -0.697 -1.161
261 HA GLU 34 HA GLU 34 -2.801 1.662 -2.368
262 HB2 GLU 34 HB2 GLU 34 -3.600 -0.448 -3.592
263 HB3 GLU 34 HB1 GLU 34 -5.227 0.110 -3.270
264 HG2 GLU 34 HG2 GLU 34 -4.897 2.066 -4.593
265 HG3 GLU 34 HG1 GLU 34 -3.183 1.696 -4.787
266 H LYS 35 H LYS 35 -5.789 0.685 -0.837
267 HA LYS 35 HA LYS 35 -7.212 3.074 -1.169
268 HB2 LYS 35 HB2 LYS 35 -8.188 0.901 -0.410
269 HB3 LYS 35 HB1 LYS 35 -7.368 1.119 1.128
270 HG2 LYS 35 HG2 LYS 35 -8.695 3.103 1.586
271 HG3 LYS 35 HG1 LYS 35 -9.471 2.971 0.009
272 HD2 LYS 35 HD2 LYS 35 -10.970 2.073 1.650
273 HD3 LYS 35 HD1 LYS 35 -10.335 0.730 0.703
274 HE2 LYS 35 HE2 LYS 35 -10.324 0.061 2.966
275 HE3 LYS 35 HE1 LYS 35 -8.647 0.376 2.538
276 HZ1 LYS 35 HZ1 LYS 35 -10.477 2.041 4.137
277 HZ2 LYS 35 HZ2 LYS 35 -9.052 2.678 3.545
278 HZ3 LYS 35 HZ3 LYS 35 -9.017 1.376 4.629
279 H ARG 36 H ARG 36 -5.113 1.918 1.447
280 HA ARG 36 HA ARG 36 -5.112 4.104 3.156
281 HB2 ARG 36 HB2 ARG 36 -2.832 2.277 2.413
282 HB3 ARG 36 HB1 ARG 36 -2.694 3.501 3.657
283 HG2 ARG 36 HG2 ARG 36 -4.425 2.419 4.948
284 HG3 ARG 36 HG1 ARG 36 -4.649 1.216 3.671
285 HD2 ARG 36 HD2 ARG 36 -3.299 0.370 5.514
286 HD3 ARG 36 HD1 ARG 36 -2.380 0.424 4.012
287 HE ARG 36 HE ARG 36 -1.882 2.795 5.370
288 HH11 ARG 36 HH11 ARG 36 -1.319 -0.671 5.898
289 HH12 ARG 36 HH12 ARG 36 0.071 -0.454 6.836
290 HH21 ARG 36 HH21 ARG 36 0.071 3.084 6.692
291 HH22 ARG 36 HH22 ARG 36 0.866 1.699 7.296
292 H LEU 37 H LEU 37 -3.069 3.557 0.341
293 HA LEU 37 HA LEU 37 -1.619 5.959 0.598
294 HB2 LEU 37 HB2 LEU 37 -1.248 3.672 -0.758
295 HB3 LEU 37 HB1 LEU 37 -1.943 4.618 -2.043
296 HG LEU 37 HG LEU 37 0.527 4.579 -2.089
297 HD11 LEU 37 HD11 LEU 37 -0.617 6.439 -3.083
298 HD12 LEU 37 HD12 LEU 37 0.925 6.919 -2.387
299 HD13 LEU 37 HD13 LEU 37 -0.588 7.314 -1.546
300 HD21 LEU 37 HD21 LEU 37 1.817 5.737 -0.424
301 HD22 LEU 37 HD22 LEU 37 0.878 4.447 0.326
302 HD23 LEU 37 HD23 LEU 37 0.361 6.125 0.485
303 H ARG 38 H ARG 38 -4.457 5.023 -1.266
304 HA ARG 38 HA ARG 38 -4.692 7.465 -2.660
305 HB2 ARG 38 HB2 ARG 38 -5.673 5.305 -3.388
306 HB3 ARG 38 HB1 ARG 38 -6.815 5.405 -2.063
307 HG2 ARG 38 HG2 ARG 38 -7.886 7.301 -3.045
308 HG3 ARG 38 HG1 ARG 38 -6.633 7.429 -4.283
309 HD2 ARG 38 HD2 ARG 38 -8.513 5.096 -3.918
310 HD3 ARG 38 HD1 ARG 38 -8.643 6.337 -5.168
311 HE ARG 38 HE ARG 38 -6.272 5.533 -5.735
312 HH11 ARG 38 HH11 ARG 38 -8.950 3.420 -4.762
313 HH12 ARG 38 HH12 ARG 38 -8.347 2.055 -5.584
314 HH21 ARG 38 HH21 ARG 38 -5.467 3.639 -6.847
315 HH22 ARG 38 HH22 ARG 38 -6.285 2.156 -6.721
316 H GLU 39 H GLU 39 -6.060 6.287 0.382
317 HA GLU 39 HA GLU 39 -7.627 8.595 0.863
318 HB2 GLU 39 HB2 GLU 39 -6.540 6.518 2.771
319 HB3 GLU 39 HB1 GLU 39 -7.606 7.819 3.276
320 HG2 GLU 39 HG2 GLU 39 -9.327 6.977 1.730
321 HG3 GLU 39 HG1 GLU 39 -8.256 5.648 1.293
322 H ARG 40 H ARG 40 -4.316 7.796 1.375
323 HA ARG 40 HA ARG 40 -3.581 9.988 3.022
324 HB2 ARG 40 HB2 ARG 40 -2.136 8.038 2.783
325 HB3 ARG 40 HB1 ARG 40 -2.008 8.306 1.060
326 HG2 ARG 40 HG2 ARG 40 -0.706 10.329 1.464
327 HG3 ARG 40 HG1 ARG 40 -0.862 10.084 3.209
328 HD2 ARG 40 HD2 ARG 40 0.316 7.981 3.068
329 HD3 ARG 40 HD1 ARG 40 0.354 8.083 1.313
330 HE ARG 40 HE ARG 40 1.635 10.325 2.143
331 HH11 ARG 40 HH11 ARG 40 2.071 6.885 2.882
332 HH12 ARG 40 HH12 ARG 40 3.762 6.942 2.990
333 HH21 ARG 40 HH21 ARG 40 4.016 10.407 2.193
334 HH22 ARG 40 HH22 ARG 40 4.890 8.980 2.548
335 H GLU 41 H GLU 41 -3.754 9.488 -0.455
336 HA GLU 41 HA GLU 41 -2.904 12.068 -1.244
337 HB2 GLU 41 HB2 GLU 41 -4.790 10.155 -2.628
338 HB3 GLU 41 HB1 GLU 41 -4.011 11.540 -3.378
339 HG2 GLU 41 HG2 GLU 41 -1.835 10.515 -3.030
340 HG3 GLU 41 HG1 GLU 41 -2.609 9.136 -2.250
341 H GLY 42 H GLY 42 -5.936 10.709 -0.257
342 HA2 GLY 42 HA2 GLY 42 -7.595 12.943 -0.882
343 HA3 GLY 42 HA1 GLY 42 -7.998 11.628 0.211
344 H ARG 43 H ARG 43 -5.518 12.158 1.762
345 HA ARG 43 HA ARG 43 -6.601 14.161 3.534
346 HB2 ARG 43 HB2 ARG 43 -4.013 12.604 3.674
347 HB3 ARG 43 HB1 ARG 43 -4.550 13.728 4.908
348 HG2 ARG 43 HG2 ARG 43 -5.948 11.181 4.095
349 HG3 ARG 43 HG1 ARG 43 -4.991 11.431 5.556
350 HD2 ARG 43 HD2 ARG 43 -7.551 12.856 4.838
351 HD3 ARG 43 HD1 ARG 43 -7.372 11.582 6.037
352 HE ARG 43 HE ARG 43 -5.604 13.487 6.828
353 HH11 ARG 43 HH11 ARG 43 -9.068 13.506 6.149
354 HH12 ARG 43 HH12 ARG 43 -9.449 14.679 7.311
355 HH21 ARG 43 HH21 ARG 43 -6.113 15.202 8.408
356 HH22 ARG 43 HH22 ARG 43 -7.735 15.650 8.599
357 H ARG 44 H ARG 44 -4.228 13.979 1.079
358 HA ARG 44 HA ARG 44 -2.796 16.349 1.659
359 HB2 ARG 44 HB2 ARG 44 -3.327 15.011 -0.992
360 HB3 ARG 44 HB1 ARG 44 -2.204 16.336 -0.752
361 HG2 ARG 44 HG2 ARG 44 -0.853 14.914 0.706
362 HG3 ARG 44 HG1 ARG 44 -1.994 13.588 0.449
363 HD2 ARG 44 HD2 ARG 44 -1.554 13.644 -1.938
364 HD3 ARG 44 HD1 ARG 44 -0.464 15.007 -1.718
365 HE ARG 44 HE ARG 44 0.478 13.006 -0.102
366 HH11 ARG 44 HH11 ARG 44 -0.127 13.388 -3.585
367 HH12 ARG 44 HH12 ARG 44 1.185 12.414 -4.030
368 HH21 ARG 44 HH21 ARG 44 2.310 11.683 -0.784
369 HH22 ARG 44 HH22 ARG 44 2.557 11.476 -2.478
370 H GLU 45 H GLU 45 -3.062 18.409 0.779
371 HA GLU 45 HA GLU 45 -5.785 18.982 -0.099
372 HB2 GLU 45 HB2 GLU 45 -3.640 20.866 0.923
373 HB3 GLU 45 HB1 GLU 45 -5.306 21.277 0.563
374 HG2 GLU 45 HG2 GLU 45 -6.091 19.919 2.386
375 HG3 GLU 45 HG1 GLU 45 -4.447 19.372 2.722
376 H VAL 46 H VAL 46 -5.754 18.746 -2.258
377 HA VAL 46 HA VAL 46 -3.392 19.329 -3.746
378 HB VAL 46 HB VAL 46 -4.673 18.755 -5.790
379 HG11 VAL 46 HG11 VAL 46 -5.071 16.391 -5.240
380 HG12 VAL 46 HG12 VAL 46 -4.969 16.793 -3.526
381 HG13 VAL 46 3HG1 VAL 46 -3.560 16.999 -4.563
382 HG21 VAL 46 HG21 VAL 46 -6.998 18.296 -3.913
383 HG22 VAL 46 HG22 VAL 46 -6.969 17.907 -5.631
384 HG23 VAL 46 HG23 VAL 46 -6.888 19.588 -5.104
385 H ASP 47 H ASP 47 -2.843 21.018 -4.855
386 HA ASP 47 HA ASP 47 -4.676 23.293 -4.817
387 HB2 ASP 47 HB2 ASP 47 -2.919 23.636 -3.172
388 HB3 ASP 47 HB1 ASP 47 -1.684 23.279 -4.371
Start of MODEL 15
1 H2 PRO 1 HT1 PRO 1 9.146 14.041 5.789
2 H3 PRO 1 HT2 PRO 1 9.925 15.410 6.224
3 HA PRO 1 HA PRO 1 9.240 16.209 4.426
4 HB2 PRO 1 HB2 PRO 1 10.686 14.681 2.505
5 HB3 PRO 1 HB1 PRO 1 11.099 16.275 3.148
6 HG2 PRO 1 HG2 PRO 1 12.525 13.974 3.665
7 HG3 PRO 1 HG1 PRO 1 12.539 15.424 4.683
8 HD2 PRO 1 HD2 PRO 1 11.009 12.873 5.039
9 HD3 PRO 1 HD1 PRO 1 11.808 13.877 6.267
10 H ARG 2 H ARG 2 8.544 15.461 1.981
11 HA ARG 2 HA ARG 2 7.066 12.971 2.269
12 HB2 ARG 2 HB2 ARG 2 5.076 13.972 1.299
13 HB3 ARG 2 HB1 ARG 2 5.527 14.838 2.753
14 HG2 ARG 2 HG2 ARG 2 6.560 16.580 1.305
15 HG3 ARG 2 HG1 ARG 2 5.919 15.722 -0.097
16 HD2 ARG 2 HD2 ARG 2 4.364 16.993 2.155
17 HD3 ARG 2 HD1 ARG 2 4.403 17.492 0.466
18 HE ARG 2 HE ARG 2 3.501 14.831 0.649
19 HH11 ARG 2 HH11 ARG 2 2.381 18.139 1.241
20 HH12 ARG 2 HH12 ARG 2 0.729 17.751 1.153
21 HH21 ARG 2 HH21 ARG 2 1.245 14.293 0.551
22 HH22 ARG 2 HH22 ARG 2 0.070 15.502 0.762
23 H GLY 3 H GLY 3 6.206 12.275 0.068
24 HA2 GLY 3 HA2 GLY 3 7.260 13.234 -2.294
25 HA3 GLY 3 HA1 GLY 3 8.362 12.006 -1.663
26 H SER 4 H SER 4 7.900 10.561 -3.305
27 HA SER 4 HA SER 4 5.398 9.722 -4.125
28 HB2 SER 4 HB2 SER 4 7.944 8.111 -3.953
29 HB3 SER 4 HB1 SER 4 6.581 7.813 -5.037
30 HG SER 4 HG SER 4 7.092 10.205 -5.561
31 HA PRO 5 HA PRO 5 4.350 7.788 -0.190
32 HB2 PRO 5 HB2 PRO 5 1.740 7.595 -0.631
33 HB3 PRO 5 HB1 PRO 5 2.506 9.162 -0.306
34 HG2 PRO 5 HG2 PRO 5 1.631 7.953 -2.893
35 HG3 PRO 5 HG1 PRO 5 1.449 9.623 -2.329
36 HD2 PRO 5 HD2 PRO 5 3.403 8.785 -4.047
37 HD3 PRO 5 HD1 PRO 5 3.563 10.190 -2.972
38 H ARG 6 H ARG 6 4.266 6.551 -3.219
39 HA ARG 6 HA ARG 6 2.870 4.126 -2.961
40 HB2 ARG 6 HB2 ARG 6 4.134 3.350 -4.891
41 HB3 ARG 6 HB1 ARG 6 3.481 4.977 -5.132
42 HG2 ARG 6 HG2 ARG 6 5.700 5.883 -4.610
43 HG3 ARG 6 HG1 ARG 6 6.296 4.232 -4.439
44 HD2 ARG 6 HD2 ARG 6 5.683 3.800 -6.786
45 HD3 ARG 6 HD1 ARG 6 5.183 5.488 -6.940
46 HE ARG 6 HE ARG 6 7.817 5.255 -5.943
47 HH11 ARG 6 HH11 ARG 6 5.956 5.177 -8.961
48 HH12 ARG 6 HH12 ARG 6 7.303 5.521 -9.949
49 HH21 ARG 6 HH21 ARG 6 9.656 5.712 -7.338
50 HH22 ARG 6 HH22 ARG 6 9.419 5.818 -9.023
51 H THR 7 H THR 7 5.903 5.070 -1.793
52 HA THR 7 HA THR 7 7.149 2.591 -1.448
53 HB THR 7 HB THR 7 8.363 4.730 -1.126
54 HG1 THR 7 HG1 THR 7 9.103 3.983 1.234
55 HG21 THR 7 HG21 THR 7 6.834 4.936 1.481
56 HG22 THR 7 HG22 THR 7 6.653 6.003 0.089
57 HG23 THR 7 HG23 THR 7 8.168 5.984 0.993
58 H GLU 8 H GLU 8 4.609 4.128 0.450
59 HA GLU 8 HA GLU 8 4.637 2.288 2.637
60 HB2 GLU 8 HB2 GLU 8 3.568 4.455 2.907
61 HB3 GLU 8 HB1 GLU 8 2.521 4.150 1.529
62 HG2 GLU 8 HG2 GLU 8 1.394 2.384 2.751
63 HG3 GLU 8 HG1 GLU 8 2.447 2.646 4.140
64 H TYR 9 H TYR 9 2.883 2.646 -0.347
65 HA TYR 9 HA TYR 9 0.996 0.656 -0.143
66 HB2 TYR 9 HB2 TYR 9 0.695 2.455 -1.577
67 HB3 TYR 9 HB1 TYR 9 2.304 2.299 -2.243
68 HD1 TYR 9 HD1 TYR 9 2.763 0.667 -3.861
69 HD2 TYR 9 HD2 TYR 9 -1.117 1.292 -2.460
70 HE1 TYR 9 HE1 TYR 9 1.912 -0.453 -5.895
71 HE2 TYR 9 HE2 TYR 9 -2.069 0.206 -4.442
72 HH TYR 9 HH TYR 9 -1.149 -0.073 -6.873
73 H GLU 10 H GLU 10 4.154 0.725 -1.790
74 HA GLU 10 HA GLU 10 3.949 -1.893 -2.801
75 HB2 GLU 10 HB2 GLU 10 5.423 -0.037 -3.675
76 HB3 GLU 10 HB1 GLU 10 6.501 -0.362 -2.322
77 HG2 GLU 10 HG2 GLU 10 7.269 -1.454 -4.341
78 HG3 GLU 10 HG1 GLU 10 6.809 -2.651 -3.117
79 H ALA 11 H ALA 11 5.532 -0.527 0.053
80 HA ALA 11 HA ALA 11 6.778 -2.855 0.974
81 HB1 ALA 11 HB1 ALA 11 5.648 -0.589 2.616
82 HB2 ALA 11 HB2 ALA 11 7.250 -0.618 1.885
83 HB3 ALA 11 HB3 ALA 11 6.843 -1.766 3.163
84 H CYS 12 H CYS 12 3.558 -1.623 1.368
85 HA CYS 12 HA CYS 12 2.546 -3.381 3.285
86 HB2 CYS 12 HB2 CYS 12 1.424 -1.336 2.557
87 HB3 CYS 12 HB1 CYS 12 1.176 -2.025 0.965
88 H ARG 13 H ARG 13 2.842 -3.691 -0.237
89 HA ARG 13 HA ARG 13 1.355 -6.117 -0.348
90 HB2 ARG 13 HB2 ARG 13 3.211 -4.902 -2.405
91 HB3 ARG 13 HB1 ARG 13 2.188 -6.306 -2.680
92 HG2 ARG 13 HG2 ARG 13 0.229 -4.830 -2.078
93 HG3 ARG 13 HG1 ARG 13 1.347 -3.473 -2.171
94 HD2 ARG 13 HD2 ARG 13 0.794 -5.419 -4.410
95 HD3 ARG 13 HD1 ARG 13 0.036 -3.849 -4.238
96 HE ARG 13 HE ARG 13 2.921 -3.703 -4.351
97 HH11 ARG 13 HH11 ARG 13 0.018 -4.063 -6.336
98 HH12 ARG 13 HH12 ARG 13 0.658 -3.218 -7.665
99 HH21 ARG 13 HH21 ARG 13 3.814 -2.589 -6.193
100 HH22 ARG 13 HH22 ARG 13 2.841 -2.358 -7.575
101 H VAL 14 H VAL 14 4.754 -5.319 -0.181
102 HA VAL 14 HA VAL 14 5.689 -8.004 -0.434
103 HB VAL 14 HB VAL 14 7.030 -5.679 0.994
104 HG11 VAL 14 HG11 VAL 14 8.221 -8.190 -0.180
105 HG12 VAL 14 HG12 VAL 14 8.015 -7.848 1.535
106 HG13 VAL 14 3HG1 VAL 14 9.121 -6.869 0.571
107 HG21 VAL 14 HG21 VAL 14 8.241 -5.295 -1.107
108 HG22 VAL 14 HG22 VAL 14 6.502 -5.072 -1.304
109 HG23 VAL 14 HG23 VAL 14 7.275 -6.550 -1.879
110 H ARG 15 H ARG 15 4.982 -5.900 2.303
111 HA ARG 15 HA ARG 15 5.689 -7.425 4.472
112 HB2 ARG 15 HB2 ARG 15 4.818 -5.104 4.538
113 HB3 ARG 15 HB1 ARG 15 3.208 -5.733 4.233
114 HG2 ARG 15 HG2 ARG 15 3.485 -7.100 6.340
115 HG3 ARG 15 HG1 ARG 15 4.916 -6.118 6.668
116 HD2 ARG 15 HD2 ARG 15 3.111 -5.087 7.817
117 HD3 ARG 15 HD1 ARG 15 3.454 -4.105 6.396
118 HE ARG 15 HE ARG 15 1.357 -6.119 6.178
119 HH11 ARG 15 HH11 ARG 15 2.184 -2.699 6.485
120 HH12 ARG 15 HH12 ARG 15 0.665 -2.110 6.032
121 HH21 ARG 15 HH21 ARG 15 -0.766 -5.370 5.583
122 HH22 ARG 15 HH22 ARG 15 -1.103 -3.710 5.494
123 H CYS 16 H CYS 16 2.493 -7.326 2.920
124 HA CYS 16 HA CYS 16 1.562 -9.424 4.550
125 HB2 CYS 16 HB2 CYS 16 0.367 -8.143 2.118
126 HB3 CYS 16 HB1 CYS 16 -0.443 -9.402 3.053
127 H GLN 17 H GLN 17 3.201 -9.448 1.498
128 HA GLN 17 HA GLN 17 2.394 -12.094 0.883
129 HB2 GLN 17 HB2 GLN 17 3.328 -10.527 -0.807
130 HB3 GLN 17 HB1 GLN 17 4.884 -10.611 0.006
131 HG2 GLN 17 HG2 GLN 17 4.778 -12.009 -1.981
132 HG3 GLN 17 HG1 GLN 17 5.084 -12.945 -0.517
133 HE21 GLN 17 1HE2 GLN 17 2.761 -12.239 -3.020
134 HE22 GLN 17 2HE2 GLN 17 1.704 -13.546 -2.648
135 H VAL 18 H VAL 18 5.020 -10.665 2.698
136 HA VAL 18 HA VAL 18 6.310 -13.175 3.211
137 HB VAL 18 HB VAL 18 6.751 -10.467 4.504
138 HG11 VAL 18 HG11 VAL 18 7.601 -12.251 5.909
139 HG12 VAL 18 HG12 VAL 18 8.938 -11.366 5.174
140 HG13 VAL 18 3HG1 VAL 18 8.470 -12.944 4.540
141 HG21 VAL 18 HG21 VAL 18 8.680 -10.302 3.009
142 HG22 VAL 18 HG22 VAL 18 7.167 -10.422 2.111
143 HG23 VAL 18 HG23 VAL 18 8.222 -11.828 2.254
144 H ALA 19 H ALA 19 4.356 -10.937 5.158
145 HA ALA 19 HA ALA 19 4.510 -12.593 7.500
146 HB1 ALA 19 HB1 ALA 19 3.104 -10.932 8.557
147 HB2 ALA 19 HB2 ALA 19 2.757 -10.198 6.992
148 HB3 ALA 19 HB3 ALA 19 4.394 -10.144 7.646
149 H GLU 20 H GLU 20 1.802 -11.630 5.392
150 HA GLU 20 HA GLU 20 -0.028 -13.367 6.731
151 HB2 GLU 20 HB2 GLU 20 -0.322 -12.056 4.019
152 HB3 GLU 20 HB1 GLU 20 -1.608 -12.765 4.980
153 HG2 GLU 20 HG2 GLU 20 0.011 -10.352 5.762
154 HG3 GLU 20 HG1 GLU 20 -1.587 -10.296 5.043
155 H HIS 21 H HIS 21 1.817 -13.444 3.775
156 HA HIS 21 HA HIS 21 2.613 -15.073 2.460
157 HB2 HIS 21 HB2 HIS 21 3.163 -16.300 4.546
158 HB3 HIS 21 HB1 HIS 21 1.555 -17.002 4.550
159 HD1 HIS 21 HD1 HIS 21 4.959 -17.619 3.382
160 HD2 HIS 21 HD2 HIS 21 1.145 -18.833 2.307
161 HE1 HIS 21 HE1 HIS 21 5.258 -19.731 2.041
162 H GLY 22 H GLY 22 1.511 -14.901 0.630
163 HA2 GLY 22 HA2 GLY 22 0.091 -16.664 -0.584
164 HA3 GLY 22 HA1 GLY 22 -1.137 -16.082 0.536
165 H VAL 23 H VAL 23 -1.058 -15.992 -2.334
166 HA VAL 23 HA VAL 23 -0.488 -13.354 -3.207
167 HB VAL 23 HB VAL 23 -2.250 -15.448 -4.520
168 HG11 VAL 23 HG11 VAL 23 -2.625 -13.223 -5.434
169 HG12 VAL 23 HG12 VAL 23 -1.793 -14.244 -6.606
170 HG13 VAL 23 3HG1 VAL 23 -0.893 -13.026 -5.702
171 HG21 VAL 23 HG21 VAL 23 -0.267 -16.020 -5.859
172 HG22 VAL 23 HG22 VAL 23 -0.007 -16.320 -4.139
173 HG23 VAL 23 HG23 VAL 23 0.694 -14.893 -4.900
174 H GLU 24 H GLU 24 -3.428 -15.066 -2.178
175 HA GLU 24 HA GLU 24 -5.122 -12.863 -2.835
176 HB2 GLU 24 HB2 GLU 24 -5.719 -15.128 -0.927
177 HB3 GLU 24 HB1 GLU 24 -6.886 -14.025 -1.631
178 HG2 GLU 24 HG2 GLU 24 -6.277 -14.879 -3.868
179 HG3 GLU 24 HG1 GLU 24 -5.252 -16.082 -3.084
180 H ARG 25 H ARG 25 -3.399 -13.870 -0.006
181 HA ARG 25 HA ARG 25 -4.509 -11.935 1.765
182 HB2 ARG 25 HB2 ARG 25 -1.773 -13.229 1.845
183 HB3 ARG 25 HB1 ARG 25 -2.492 -12.291 3.142
184 HG2 ARG 25 HG2 ARG 25 -3.522 -14.915 2.076
185 HG3 ARG 25 HG1 ARG 25 -2.633 -14.675 3.576
186 HD2 ARG 25 HD2 ARG 25 -5.333 -13.498 2.918
187 HD3 ARG 25 HD1 ARG 25 -5.056 -14.902 3.941
188 HE ARG 25 HE ARG 25 -3.556 -12.830 5.000
189 HH11 ARG 25 HH11 ARG 25 -7.009 -13.528 4.489
190 HH12 ARG 25 HH12 ARG 25 -7.509 -12.647 5.843
191 HH21 ARG 25 HH21 ARG 25 -4.265 -11.595 6.815
192 HH22 ARG 25 HH22 ARG 25 -5.925 -11.499 7.191
193 H GLN 26 H GLN 26 -1.753 -11.946 -0.427
194 HA GLN 26 HA GLN 26 -0.748 -9.406 0.201
195 HB2 GLN 26 HB2 GLN 26 0.430 -11.166 -1.153
196 HB3 GLN 26 HB1 GLN 26 -0.649 -10.788 -2.487
197 HG2 GLN 26 HG2 GLN 26 0.204 -8.486 -2.504
198 HG3 GLN 26 HG1 GLN 26 1.313 -8.902 -1.203
199 HE21 GLN 26 1HE2 GLN 26 3.157 -8.552 -2.305
200 HE22 GLN 26 2HE2 GLN 26 3.686 -9.508 -3.645
201 H ARG 27 H ARG 27 -3.100 -10.489 -2.222
202 HA ARG 27 HA ARG 27 -3.601 -8.008 -3.419
203 HB2 ARG 27 HB2 ARG 27 -5.414 -10.394 -3.128
204 HB3 ARG 27 HB1 ARG 27 -5.766 -9.014 -4.152
205 HG2 ARG 27 HG2 ARG 27 -3.733 -9.490 -5.450
206 HG3 ARG 27 HG1 ARG 27 -3.442 -10.905 -4.436
207 HD2 ARG 27 HD2 ARG 27 -4.523 -11.579 -6.491
208 HD3 ARG 27 HD1 ARG 27 -5.617 -11.817 -5.128
209 HE ARG 27 HE ARG 27 -6.058 -9.288 -6.191
210 HH11 ARG 27 HH11 ARG 27 -6.600 -12.672 -7.018
211 HH12 ARG 27 HH12 ARG 27 -7.853 -12.379 -8.132
212 HH21 ARG 27 HH21 ARG 27 -7.794 -8.842 -7.688
213 HH22 ARG 27 HH22 ARG 27 -8.556 -10.119 -8.529
214 H ARG 28 H ARG 28 -4.958 -9.499 -0.585
215 HA ARG 28 HA ARG 28 -7.100 -7.748 -0.132
216 HB2 ARG 28 HB2 ARG 28 -6.715 -9.925 1.022
217 HB3 ARG 28 HB1 ARG 28 -5.418 -9.168 1.928
218 HG2 ARG 28 HG2 ARG 28 -7.012 -7.635 2.947
219 HG3 ARG 28 HG1 ARG 28 -8.325 -8.386 2.032
220 HD2 ARG 28 HD2 ARG 28 -7.665 -10.556 3.054
221 HD3 ARG 28 HD1 ARG 28 -6.573 -9.666 4.108
222 HE ARG 28 HE ARG 28 -8.683 -8.440 4.796
223 HH11 ARG 28 HH11 ARG 28 -8.692 -11.828 3.698
224 HH12 ARG 28 HH12 ARG 28 -9.973 -12.287 4.693
225 HH21 ARG 28 HH21 ARG 28 -10.516 -9.110 6.159
226 HH22 ARG 28 HH22 ARG 28 -11.037 -10.725 6.110
227 H CYS 29 H CYS 29 -3.771 -7.718 1.065
228 HA CYS 29 HA CYS 29 -4.006 -5.237 2.377
229 HB2 CYS 29 HB2 CYS 29 -1.636 -6.854 1.476
230 HB3 CYS 29 HB1 CYS 29 -1.487 -5.345 2.374
231 H GLN 30 H GLN 30 -3.052 -6.202 -0.858
232 HA GLN 30 HA GLN 30 -2.082 -3.772 -1.768
233 HB2 GLN 30 HB2 GLN 30 -1.834 -5.750 -3.123
234 HB3 GLN 30 HB1 GLN 30 -3.578 -5.946 -3.220
235 HG2 GLN 30 HG2 GLN 30 -3.787 -4.003 -4.600
236 HG3 GLN 30 HG1 GLN 30 -2.084 -3.608 -4.392
237 HE21 GLN 30 1HE2 GLN 30 -3.664 -4.155 -6.800
238 HE22 GLN 30 2HE2 GLN 30 -2.838 -5.430 -7.609
239 H GLN 31 H GLN 31 -5.391 -5.031 -1.822
240 HA GLN 31 HA GLN 31 -6.647 -2.859 -2.999
241 HB2 GLN 31 HB2 GLN 31 -7.744 -5.013 -2.575
242 HB3 GLN 31 HB1 GLN 31 -7.710 -4.693 -0.850
243 HG2 GLN 31 HG2 GLN 31 -9.925 -4.269 -1.727
244 HG3 GLN 31 HG1 GLN 31 -9.188 -2.762 -1.195
245 HE21 GLN 31 1HE2 GLN 31 -10.510 -1.540 -2.503
246 HE22 GLN 31 2HE2 GLN 31 -10.297 -1.459 -4.212
247 H VAL 32 H VAL 32 -6.061 -3.460 0.444
248 HA VAL 32 HA VAL 32 -7.285 -1.079 1.366
249 HB VAL 32 HB VAL 32 -5.171 -2.761 2.743
250 HG11 VAL 32 HG11 VAL 32 -7.100 -0.751 3.908
251 HG12 VAL 32 HG12 VAL 32 -5.355 -0.546 3.755
252 HG13 VAL 32 3HG1 VAL 32 -6.006 -1.783 4.831
253 HG21 VAL 32 HG21 VAL 32 -8.179 -2.860 2.893
254 HG22 VAL 32 HG22 VAL 32 -7.084 -3.755 3.942
255 HG23 VAL 32 HG23 VAL 32 -7.110 -4.087 2.208
256 H CYS 33 H CYS 33 -3.884 -1.863 0.695
257 HA CYS 33 HA CYS 33 -3.148 0.768 1.468
258 HB2 CYS 33 HB2 CYS 33 -1.506 -1.445 0.265
259 HB3 CYS 33 HB1 CYS 33 -0.847 0.111 0.778
260 H GLU 34 H GLU 34 -4.203 -0.579 -1.467
261 HA GLU 34 HA GLU 34 -3.171 1.491 -3.138
262 HB2 GLU 34 HB2 GLU 34 -3.949 -0.688 -4.032
263 HB3 GLU 34 HB1 GLU 34 -5.572 -0.317 -3.490
264 HG2 GLU 34 HG2 GLU 34 -5.648 1.583 -5.019
265 HG3 GLU 34 HG1 GLU 34 -4.018 1.196 -5.564
266 H LYS 35 H LYS 35 -5.965 0.943 -1.161
267 HA LYS 35 HA LYS 35 -7.464 3.216 -1.871
268 HB2 LYS 35 HB2 LYS 35 -8.234 1.194 -0.522
269 HB3 LYS 35 HB1 LYS 35 -7.321 1.839 0.820
270 HG2 LYS 35 HG2 LYS 35 -9.624 2.394 1.126
271 HG3 LYS 35 HG1 LYS 35 -8.729 3.869 0.767
272 HD2 LYS 35 HD2 LYS 35 -10.808 3.860 -0.456
273 HD3 LYS 35 HD1 LYS 35 -9.467 3.712 -1.586
274 HE2 LYS 35 HE2 LYS 35 -9.863 1.282 -1.714
275 HE3 LYS 35 HE1 LYS 35 -11.197 1.454 -0.571
276 HZ1 LYS 35 HZ1 LYS 35 -11.988 1.360 -2.874
277 HZ2 LYS 35 HZ2 LYS 35 -11.050 2.729 -3.243
278 HZ3 LYS 35 HZ3 LYS 35 -12.322 2.859 -2.183
279 H ARG 36 H ARG 36 -5.020 2.544 0.566
280 HA ARG 36 HA ARG 36 -4.835 5.093 1.741
281 HB2 ARG 36 HB2 ARG 36 -2.701 2.974 1.437
282 HB3 ARG 36 HB1 ARG 36 -2.560 4.387 2.472
283 HG2 ARG 36 HG2 ARG 36 -4.435 3.638 3.806
284 HG3 ARG 36 HG1 ARG 36 -4.671 2.266 2.726
285 HD2 ARG 36 HD2 ARG 36 -3.532 1.589 4.741
286 HD3 ARG 36 HD1 ARG 36 -2.482 1.405 3.342
287 HE ARG 36 HE ARG 36 -1.399 3.524 4.067
288 HH11 ARG 36 HH11 ARG 36 -3.140 1.569 6.483
289 HH12 ARG 36 HH12 ARG 36 -2.174 2.088 7.784
290 HH21 ARG 36 HH21 ARG 36 -0.079 4.169 5.870
291 HH22 ARG 36 HH22 ARG 36 -0.431 3.590 7.440
292 H LEU 37 H LEU 37 -3.064 3.640 -0.953
293 HA LEU 37 HA LEU 37 -1.413 5.797 -1.570
294 HB2 LEU 37 HB2 LEU 37 -1.112 3.546 -2.492
295 HB3 LEU 37 HB1 LEU 37 -2.593 3.713 -3.410
296 HG LEU 37 HG LEU 37 -1.588 5.496 -4.716
297 HD11 LEU 37 HD11 LEU 37 0.869 5.872 -4.578
298 HD12 LEU 37 HD12 LEU 37 0.905 4.850 -3.135
299 HD13 LEU 37 HD13 LEU 37 0.016 6.369 -3.118
300 HD21 LEU 37 HD21 LEU 37 -1.475 3.250 -5.563
301 HD22 LEU 37 HD22 LEU 37 0.010 2.955 -4.661
302 HD23 LEU 37 HD23 LEU 37 -0.000 4.120 -5.984
303 H ARG 38 H ARG 38 -4.669 4.998 -2.682
304 HA ARG 38 HA ARG 38 -5.016 7.093 -4.516
305 HB2 ARG 38 HB2 ARG 38 -6.499 5.124 -4.355
306 HB3 ARG 38 HB1 ARG 38 -7.085 5.701 -2.812
307 HG2 ARG 38 HG2 ARG 38 -8.732 6.161 -4.498
308 HG3 ARG 38 HG1 ARG 38 -8.040 7.682 -3.951
309 HD2 ARG 38 HD2 ARG 38 -7.030 6.280 -6.414
310 HD3 ARG 38 HD1 ARG 38 -8.427 7.337 -6.475
311 HE ARG 38 HE ARG 38 -6.919 9.117 -5.648
312 HH11 ARG 38 HH11 ARG 38 -5.463 6.324 -7.266
313 HH12 ARG 38 HH12 ARG 38 -4.199 7.224 -7.969
314 HH21 ARG 38 HH21 ARG 38 -5.182 10.371 -6.742
315 HH22 ARG 38 HH22 ARG 38 -4.059 9.521 -7.685
316 H GLU 39 H GLU 39 -5.544 6.924 -1.023
317 HA GLU 39 HA GLU 39 -6.594 9.556 -0.880
318 HB2 GLU 39 HB2 GLU 39 -5.400 7.798 1.264
319 HB3 GLU 39 HB1 GLU 39 -6.133 9.367 1.572
320 HG2 GLU 39 HG2 GLU 39 -7.514 6.966 0.403
321 HG3 GLU 39 HG1 GLU 39 -7.684 7.561 2.052
322 H ARG 40 H ARG 40 -3.396 8.197 -0.271
323 HA ARG 40 HA ARG 40 -2.229 10.607 0.451
324 HB2 ARG 40 HB2 ARG 40 -0.981 8.152 -0.736
325 HB3 ARG 40 HB1 ARG 40 -0.042 9.547 -0.234
326 HG2 ARG 40 HG2 ARG 40 -1.035 9.274 2.057
327 HG3 ARG 40 HG1 ARG 40 -1.717 7.739 1.499
328 HD2 ARG 40 HD2 ARG 40 0.497 6.929 0.959
329 HD3 ARG 40 HD1 ARG 40 1.201 8.474 1.423
330 HE ARG 40 HE ARG 40 0.169 6.377 3.123
331 HH11 ARG 40 HH11 ARG 40 1.528 9.708 3.009
332 HH12 ARG 40 HH12 ARG 40 2.223 9.588 4.556
333 HH21 ARG 40 HH21 ARG 40 1.209 6.308 5.215
334 HH22 ARG 40 HH22 ARG 40 2.052 7.681 5.822
335 H GLU 41 H GLU 41 -2.124 9.039 -2.774
336 HA GLU 41 HA GLU 41 -0.888 11.263 -4.048
337 HB2 GLU 41 HB2 GLU 41 -2.361 8.856 -5.101
338 HB3 GLU 41 HB1 GLU 41 -1.696 10.090 -6.160
339 HG2 GLU 41 HG2 GLU 41 -0.031 8.601 -4.156
340 HG3 GLU 41 HG1 GLU 41 -0.299 8.016 -5.796
341 H GLY 42 H GLY 42 -4.113 10.577 -3.132
342 HA2 GLY 42 HA2 GLY 42 -5.390 12.185 -5.088
343 HA3 GLY 42 HA1 GLY 42 -6.106 11.562 -3.609
344 H ARG 43 H ARG 43 -4.142 12.733 -1.866
345 HA ARG 43 HA ARG 43 -5.209 15.467 -1.887
346 HB2 ARG 43 HB2 ARG 43 -3.515 14.251 0.295
347 HB3 ARG 43 HB1 ARG 43 -4.626 15.608 0.416
348 HG2 ARG 43 HG2 ARG 43 -5.330 12.702 0.081
349 HG3 ARG 43 HG1 ARG 43 -5.544 13.686 1.522
350 HD2 ARG 43 HD2 ARG 43 -7.262 14.963 0.487
351 HD3 ARG 43 HD1 ARG 43 -6.899 14.272 -1.100
352 HE ARG 43 HE ARG 43 -7.577 12.318 0.860
353 HH11 ARG 43 HH11 ARG 43 -9.038 14.635 -1.392
354 HH12 ARG 43 HH12 ARG 43 -10.411 13.655 -1.685
355 HH21 ARG 43 HH21 ARG 43 -9.474 10.982 0.398
356 HH22 ARG 43 HH22 ARG 43 -10.655 11.592 -0.669
357 H ARG 44 H ARG 44 -2.307 13.693 -2.338
358 HA ARG 44 HA ARG 44 -0.512 15.922 -2.076
359 HB2 ARG 44 HB2 ARG 44 0.293 13.740 -1.507
360 HB3 ARG 44 HB1 ARG 44 -0.127 13.111 -3.096
361 HG2 ARG 44 HG2 ARG 44 1.524 14.678 -4.057
362 HG3 ARG 44 HG1 ARG 44 2.011 15.098 -2.410
363 HD2 ARG 44 HD2 ARG 44 2.647 12.811 -1.995
364 HD3 ARG 44 HD1 ARG 44 2.063 12.333 -3.590
365 HE ARG 44 HE ARG 44 4.286 14.188 -3.134
366 HH11 ARG 44 HH11 ARG 44 2.763 11.549 -5.030
367 HH12 ARG 44 HH12 ARG 44 4.065 11.448 -6.109
368 HH21 ARG 44 HH21 ARG 44 6.063 13.972 -4.655
369 HH22 ARG 44 HH22 ARG 44 5.943 12.819 -5.906
370 H GLU 45 H GLU 45 -0.038 17.300 -3.606
371 HA GLU 45 HA GLU 45 0.054 18.416 -5.552
372 HB2 GLU 45 HB2 GLU 45 0.527 15.648 -6.689
373 HB3 GLU 45 HB1 GLU 45 0.810 17.149 -7.553
374 HG2 GLU 45 HG2 GLU 45 2.256 16.208 -5.081
375 HG3 GLU 45 HG1 GLU 45 2.893 16.260 -6.722
376 H VAL 46 H VAL 46 -2.478 18.006 -4.716
377 HA VAL 46 HA VAL 46 -4.007 17.134 -7.014
378 HB VAL 46 HB VAL 46 -4.800 16.494 -4.752
379 HG11 VAL 46 HG11 VAL 46 -5.206 19.433 -4.280
380 HG12 VAL 46 HG12 VAL 46 -4.078 18.364 -3.442
381 HG13 VAL 46 3HG1 VAL 46 -5.815 18.141 -3.245
382 HG21 VAL 46 HG21 VAL 46 -7.165 17.159 -4.989
383 HG22 VAL 46 HG22 VAL 46 -6.453 16.632 -6.513
384 HG23 VAL 46 HG23 VAL 46 -6.688 18.352 -6.198
385 H ASP 47 H ASP 47 -5.163 18.500 -8.324
386 HA ASP 47 HA ASP 47 -4.499 21.341 -8.014
387 HB2 ASP 47 HB2 ASP 47 -4.983 19.750 -10.545
388 HB3 ASP 47 HB1 ASP 47 -4.827 21.498 -10.483
Start of MODEL 16
1 H2 PRO 1 HT1 PRO 1 16.554 10.454 5.830
2 H3 PRO 1 HT2 PRO 1 16.164 11.569 6.937
3 HA PRO 1 HA PRO 1 14.844 12.661 5.647
4 HB2 PRO 1 HB2 PRO 1 15.662 11.586 3.062
5 HB3 PRO 1 HB1 PRO 1 15.415 13.268 3.544
6 HG2 PRO 1 HG2 PRO 1 17.903 11.803 3.385
7 HG3 PRO 1 HG1 PRO 1 17.656 13.514 3.755
8 HD2 PRO 1 HD2 PRO 1 18.565 11.630 5.581
9 HD3 PRO 1 HD1 PRO 1 17.784 13.152 6.031
10 H ARG 2 H ARG 2 13.023 11.778 4.243
11 HA ARG 2 HA ARG 2 12.761 8.886 4.755
12 HB2 ARG 2 HB2 ARG 2 10.357 9.202 4.846
13 HB3 ARG 2 HB1 ARG 2 11.123 10.287 5.993
14 HG2 ARG 2 HG2 ARG 2 10.728 12.176 4.614
15 HG3 ARG 2 HG1 ARG 2 10.291 11.161 3.245
16 HD2 ARG 2 HD2 ARG 2 8.741 11.358 5.824
17 HD3 ARG 2 HD1 ARG 2 8.315 12.166 4.315
18 HE ARG 2 HE ARG 2 8.645 9.311 4.138
19 HH11 ARG 2 HH11 ARG 2 6.354 11.971 4.300
20 HH12 ARG 2 HH12 ARG 2 4.972 10.982 4.142
21 HH21 ARG 2 HH21 ARG 2 6.853 7.994 3.762
22 HH22 ARG 2 HH22 ARG 2 5.259 8.582 3.768
23 H GLY 3 H GLY 3 11.181 7.862 3.164
24 HA2 GLY 3 HA2 GLY 3 11.936 8.672 0.490
25 HA3 GLY 3 HA1 GLY 3 11.095 7.192 0.943
26 H SER 4 H SER 4 9.923 8.162 -1.087
27 HA SER 4 HA SER 4 7.954 10.167 -0.519
28 HB2 SER 4 HB2 SER 4 8.041 8.128 -2.757
29 HB3 SER 4 HB1 SER 4 7.205 9.676 -2.760
30 HG SER 4 HG SER 4 9.530 10.452 -2.287
31 HA PRO 5 HA PRO 5 4.702 7.697 1.352
32 HB2 PRO 5 HB2 PRO 5 2.607 8.131 -0.472
33 HB3 PRO 5 HB1 PRO 5 2.969 9.116 0.948
34 HG2 PRO 5 HG2 PRO 5 3.731 9.551 -1.904
35 HG3 PRO 5 HG1 PRO 5 3.264 10.734 -0.674
36 HD2 PRO 5 HD2 PRO 5 5.805 10.461 -1.383
37 HD3 PRO 5 HD1 PRO 5 5.369 10.709 0.321
38 H ARG 6 H ARG 6 5.367 7.286 -2.039
39 HA ARG 6 HA ARG 6 4.077 4.906 -2.600
40 HB2 ARG 6 HB2 ARG 6 5.160 6.110 -4.380
41 HB3 ARG 6 HB1 ARG 6 6.723 5.950 -3.605
42 HG2 ARG 6 HG2 ARG 6 6.849 3.643 -4.112
43 HG3 ARG 6 HG1 ARG 6 5.152 3.581 -4.578
44 HD2 ARG 6 HD2 ARG 6 7.240 5.210 -6.018
45 HD3 ARG 6 HD1 ARG 6 6.751 3.582 -6.489
46 HE ARG 6 HE ARG 6 4.483 5.199 -6.246
47 HH11 ARG 6 HH11 ARG 6 7.272 4.872 -8.406
48 HH12 ARG 6 HH12 ARG 6 6.420 5.313 -9.805
49 HH21 ARG 6 HH21 ARG 6 3.298 5.791 -8.173
50 HH22 ARG 6 HH22 ARG 6 4.109 5.896 -9.664
51 H THR 7 H THR 7 7.189 5.400 -0.932
52 HA THR 7 HA THR 7 7.894 2.686 -0.929
53 HB THR 7 HB THR 7 9.511 4.635 -0.468
54 HG1 THR 7 HG1 THR 7 9.572 2.560 1.481
55 HG21 THR 7 HG21 THR 7 8.209 5.788 1.274
56 HG22 THR 7 HG22 THR 7 9.801 5.321 1.877
57 HG23 THR 7 HG23 THR 7 8.378 4.382 2.326
58 H GLU 8 H GLU 8 5.687 4.508 1.014
59 HA GLU 8 HA GLU 8 5.692 2.812 3.285
60 HB2 GLU 8 HB2 GLU 8 3.549 4.716 2.327
61 HB3 GLU 8 HB1 GLU 8 3.599 3.950 3.904
62 HG2 GLU 8 HG2 GLU 8 5.752 5.128 4.334
63 HG3 GLU 8 HG1 GLU 8 5.528 5.980 2.808
64 H TYR 9 H TYR 9 3.424 3.124 0.534
65 HA TYR 9 HA TYR 9 1.920 0.895 1.517
66 HB2 TYR 9 HB2 TYR 9 0.326 1.443 -0.027
67 HB3 TYR 9 HB1 TYR 9 1.223 2.949 -0.077
68 HD1 TYR 9 HD1 TYR 9 2.830 3.336 -1.973
69 HD2 TYR 9 HD2 TYR 9 0.181 0.035 -1.852
70 HE1 TYR 9 HE1 TYR 9 3.155 2.993 -4.383
71 HE2 TYR 9 HE2 TYR 9 0.477 -0.338 -4.193
72 HH TYR 9 HH TYR 9 2.964 1.148 -5.960
73 H GLU 10 H GLU 10 4.536 1.295 -0.750
74 HA GLU 10 HA GLU 10 4.335 -1.241 -1.972
75 HB2 GLU 10 HB2 GLU 10 5.648 0.710 -2.833
76 HB3 GLU 10 HB1 GLU 10 6.798 0.468 -1.534
77 HG2 GLU 10 HG2 GLU 10 7.646 -0.430 -3.595
78 HG3 GLU 10 HG1 GLU 10 7.343 -1.743 -2.455
79 H ALA 11 H ALA 11 5.921 -0.038 0.949
80 HA ALA 11 HA ALA 11 7.251 -2.430 1.645
81 HB1 ALA 11 HB1 ALA 11 7.448 -1.472 3.873
82 HB2 ALA 11 HB2 ALA 11 6.243 -0.249 3.469
83 HB3 ALA 11 HB3 ALA 11 7.805 -0.251 2.650
84 H CYS 12 H CYS 12 4.009 -1.274 2.099
85 HA CYS 12 HA CYS 12 3.079 -3.191 3.929
86 HB2 CYS 12 HB2 CYS 12 1.694 -1.293 3.465
87 HB3 CYS 12 HB1 CYS 12 1.669 -1.656 1.745
88 H ARG 13 H ARG 13 3.236 -3.215 0.389
89 HA ARG 13 HA ARG 13 2.080 -5.718 -0.078
90 HB2 ARG 13 HB2 ARG 13 4.270 -4.286 -1.577
91 HB3 ARG 13 HB1 ARG 13 3.461 -5.727 -2.162
92 HG2 ARG 13 HG2 ARG 13 1.346 -4.518 -2.247
93 HG3 ARG 13 HG1 ARG 13 2.145 -3.075 -1.612
94 HD2 ARG 13 HD2 ARG 13 3.553 -2.923 -3.525
95 HD3 ARG 13 HD1 ARG 13 3.003 -4.486 -4.112
96 HE ARG 13 HE ARG 13 0.746 -3.030 -3.998
97 HH11 ARG 13 HH11 ARG 13 3.920 -2.207 -5.383
98 HH12 ARG 13 HH12 ARG 13 3.279 -1.551 -6.806
99 HH21 ARG 13 HH21 ARG 13 -0.106 -2.175 -5.950
100 HH22 ARG 13 HH22 ARG 13 0.917 -1.498 -7.158
101 H VAL 14 H VAL 14 5.457 -4.803 0.430
102 HA VAL 14 HA VAL 14 6.629 -7.337 0.338
103 HB VAL 14 HB VAL 14 7.505 -5.055 2.141
104 HG11 VAL 14 HG11 VAL 14 9.097 -7.295 0.909
105 HG12 VAL 14 HG12 VAL 14 8.602 -7.181 2.593
106 HG13 VAL 14 3HG1 VAL 14 9.740 -6.004 1.929
107 HG21 VAL 14 HG21 VAL 14 8.943 -4.321 0.300
108 HG22 VAL 14 HG22 VAL 14 7.241 -4.250 -0.153
109 HG23 VAL 14 HG23 VAL 14 8.257 -5.569 -0.734
110 H ARG 15 H ARG 15 5.207 -5.560 3.031
111 HA ARG 15 HA ARG 15 5.770 -7.357 5.117
112 HB2 ARG 15 HB2 ARG 15 4.866 -5.070 5.490
113 HB3 ARG 15 HB1 ARG 15 3.336 -5.588 4.814
114 HG2 ARG 15 HG2 ARG 15 3.051 -7.189 6.634
115 HG3 ARG 15 HG1 ARG 15 4.596 -6.687 7.319
116 HD2 ARG 15 HD2 ARG 15 2.817 -5.575 8.503
117 HD3 ARG 15 HD1 ARG 15 3.701 -4.394 7.546
118 HE ARG 15 HE ARG 15 1.209 -5.558 6.523
119 HH11 ARG 15 HH11 ARG 15 3.058 -2.684 7.502
120 HH12 ARG 15 HH12 ARG 15 1.824 -1.600 7.083
121 HH21 ARG 15 HH21 ARG 15 -0.510 -3.993 5.994
122 HH22 ARG 15 HH22 ARG 15 -0.224 -2.344 6.271
123 H CYS 16 H CYS 16 2.943 -7.055 3.044
124 HA CYS 16 HA CYS 16 1.613 -9.212 4.194
125 HB2 CYS 16 HB2 CYS 16 1.191 -7.816 1.580
126 HB3 CYS 16 HB1 CYS 16 0.126 -9.082 2.196
127 H GLN 17 H GLN 17 3.861 -9.168 1.459
128 HA GLN 17 HA GLN 17 3.096 -11.837 0.809
129 HB2 GLN 17 HB2 GLN 17 4.886 -11.843 -0.817
130 HB3 GLN 17 HB1 GLN 17 3.985 -10.344 -0.917
131 HG2 GLN 17 HG2 GLN 17 5.804 -9.307 0.469
132 HG3 GLN 17 HG1 GLN 17 6.722 -10.791 0.209
133 HE21 GLN 17 1HE2 GLN 17 7.358 -11.330 -1.926
134 HE22 GLN 17 2HE2 GLN 17 7.402 -10.118 -3.153
135 H VAL 18 H VAL 18 5.232 -10.483 3.088
136 HA VAL 18 HA VAL 18 6.537 -13.050 3.481
137 HB VAL 18 HB VAL 18 6.944 -10.422 4.941
138 HG11 VAL 18 HG11 VAL 18 7.492 -12.290 6.399
139 HG12 VAL 18 HG12 VAL 18 8.975 -11.493 5.860
140 HG13 VAL 18 3HG1 VAL 18 8.471 -13.017 5.127
141 HG21 VAL 18 HG21 VAL 18 7.689 -10.350 2.622
142 HG22 VAL 18 HG22 VAL 18 8.632 -11.822 2.869
143 HG23 VAL 18 HG23 VAL 18 9.067 -10.343 3.724
144 H ALA 19 H ALA 19 4.650 -10.760 5.474
145 HA ALA 19 HA ALA 19 4.421 -12.579 7.646
146 HB1 ALA 19 HB1 ALA 19 2.851 -10.059 7.133
147 HB2 ALA 19 HB2 ALA 19 4.413 -10.143 7.945
148 HB3 ALA 19 HB3 ALA 19 2.999 -10.909 8.672
149 H GLU 20 H GLU 20 2.106 -11.481 5.177
150 HA GLU 20 HA GLU 20 0.054 -13.222 6.237
151 HB2 GLU 20 HB2 GLU 20 0.075 -11.706 3.606
152 HB3 GLU 20 HB1 GLU 20 -1.310 -12.457 4.382
153 HG2 GLU 20 HG2 GLU 20 0.235 -10.118 5.467
154 HG3 GLU 20 HG1 GLU 20 -1.300 -10.013 4.616
155 H HIS 21 H HIS 21 1.909 -12.902 3.297
156 HA HIS 21 HA HIS 21 2.623 -14.254 1.684
157 HB2 HIS 21 HB2 HIS 21 3.924 -15.142 3.616
158 HB3 HIS 21 HB1 HIS 21 2.694 -16.362 3.866
159 HD1 HIS 21 HD1 HIS 21 5.873 -15.824 2.194
160 HD2 HIS 21 HD2 HIS 21 2.501 -18.159 1.508
161 HE1 HIS 21 HE1 HIS 21 6.603 -17.660 0.659
162 H GLY 22 H GLY 22 0.955 -14.301 0.297
163 HA2 GLY 22 HA2 GLY 22 -0.214 -16.601 -0.488
164 HA3 GLY 22 HA1 GLY 22 -1.355 -15.925 0.677
165 H VAL 23 H VAL 23 -1.649 -16.300 -2.193
166 HA VAL 23 HA VAL 23 -1.355 -13.822 -3.532
167 HB VAL 23 HB VAL 23 -3.218 -16.130 -4.178
168 HG11 VAL 23 HG11 VAL 23 -2.251 -13.885 -5.951
169 HG12 VAL 23 HG12 VAL 23 -3.885 -14.062 -5.315
170 HG13 VAL 23 3HG1 VAL 23 -3.254 -15.244 -6.462
171 HG21 VAL 23 HG21 VAL 23 -1.474 -16.824 -5.757
172 HG22 VAL 23 HG22 VAL 23 -0.884 -16.821 -4.096
173 HG23 VAL 23 HG23 VAL 23 -0.445 -15.511 -5.191
174 H GLU 24 H GLU 24 -4.151 -15.456 -2.189
175 HA GLU 24 HA GLU 24 -6.131 -13.533 -2.501
176 HB2 GLU 24 HB2 GLU 24 -5.856 -15.213 -0.003
177 HB3 GLU 24 HB1 GLU 24 -7.334 -14.605 -0.713
178 HG2 GLU 24 HG2 GLU 24 -7.369 -16.869 -1.205
179 HG3 GLU 24 HG1 GLU 24 -6.762 -16.153 -2.693
180 H ARG 25 H ARG 25 -3.717 -13.914 -0.073
181 HA ARG 25 HA ARG 25 -4.678 -11.908 1.680
182 HB2 ARG 25 HB2 ARG 25 -1.957 -13.218 1.588
183 HB3 ARG 25 HB1 ARG 25 -2.636 -12.292 2.931
184 HG2 ARG 25 HG2 ARG 25 -4.417 -13.909 3.198
185 HG3 ARG 25 HG1 ARG 25 -3.825 -14.825 1.821
186 HD2 ARG 25 HD2 ARG 25 -1.725 -15.249 3.070
187 HD3 ARG 25 HD1 ARG 25 -2.423 -14.412 4.459
188 HE ARG 25 HE ARG 25 -4.249 -16.324 3.715
189 HH11 ARG 25 HH11 ARG 25 -0.911 -16.350 4.925
190 HH12 ARG 25 HH12 ARG 25 -1.053 -17.883 5.642
191 HH21 ARG 25 HH21 ARG 25 -4.414 -18.425 4.712
192 HH22 ARG 25 HH22 ARG 25 -3.089 -19.090 5.541
193 H GLN 26 H GLN 26 -2.264 -11.937 -0.916
194 HA GLN 26 HA GLN 26 -1.532 -9.238 -0.410
195 HB2 GLN 26 HB2 GLN 26 -1.018 -11.077 -2.718
196 HB3 GLN 26 HB1 GLN 26 -0.571 -9.380 -2.797
197 HG2 GLN 26 HG2 GLN 26 0.800 -9.703 -0.753
198 HG3 GLN 26 HG1 GLN 26 0.420 -11.423 -0.822
199 HE21 GLN 26 1HE2 GLN 26 2.103 -8.805 -2.371
200 HE22 GLN 26 2HE2 GLN 26 3.146 -9.783 -3.329
201 H ARG 27 H ARG 27 -3.941 -10.801 -2.393
202 HA ARG 27 HA ARG 27 -4.816 -8.536 -3.828
203 HB2 ARG 27 HB2 ARG 27 -6.402 -10.898 -2.794
204 HB3 ARG 27 HB1 ARG 27 -7.038 -9.700 -3.908
205 HG2 ARG 27 HG2 ARG 27 -5.395 -10.352 -5.575
206 HG3 ARG 27 HG1 ARG 27 -4.700 -11.517 -4.446
207 HD2 ARG 27 HD2 ARG 27 -6.211 -12.589 -6.065
208 HD3 ARG 27 HD1 ARG 27 -6.784 -12.762 -4.408
209 HE ARG 27 HE ARG 27 -8.000 -10.507 -5.370
210 HH11 ARG 27 HH11 ARG 27 -7.983 -13.929 -6.282
211 HH12 ARG 27 HH12 ARG 27 -9.556 -13.904 -6.932
212 HH21 ARG 27 HH21 ARG 27 -10.135 -10.477 -6.239
213 HH22 ARG 27 HH22 ARG 27 -10.830 -11.875 -6.921
214 H ARG 28 H ARG 28 -5.677 -9.804 -0.689
215 HA ARG 28 HA ARG 28 -7.548 -7.916 0.168
216 HB2 ARG 28 HB2 ARG 28 -7.119 -9.994 1.374
217 HB3 ARG 28 HB1 ARG 28 -5.481 -9.479 1.727
218 HG2 ARG 28 HG2 ARG 28 -6.412 -7.621 3.079
219 HG3 ARG 28 HG1 ARG 28 -8.024 -8.276 2.793
220 HD2 ARG 28 HD2 ARG 28 -7.438 -10.336 3.893
221 HD3 ARG 28 HD1 ARG 28 -5.764 -9.809 4.069
222 HE ARG 28 HE ARG 28 -7.712 -8.073 5.273
223 HH11 ARG 28 HH11 ARG 28 -5.626 -10.908 5.834
224 HH12 ARG 28 HH12 ARG 28 -5.559 -10.661 7.515
225 HH21 ARG 28 HH21 ARG 28 -7.594 -7.798 7.607
226 HH22 ARG 28 HH22 ARG 28 -6.670 -8.903 8.530
227 H CYS 29 H CYS 29 -4.012 -7.981 0.676
228 HA CYS 29 HA CYS 29 -3.914 -5.506 1.950
229 HB2 CYS 29 HB2 CYS 29 -1.808 -7.157 0.590
230 HB3 CYS 29 HB1 CYS 29 -1.447 -5.642 1.420
231 H GLN 30 H GLN 30 -3.806 -6.324 -1.444
232 HA GLN 30 HA GLN 30 -2.968 -3.849 -2.454
233 HB2 GLN 30 HB2 GLN 30 -3.110 -5.804 -3.875
234 HB3 GLN 30 HB1 GLN 30 -4.841 -5.912 -3.608
235 HG2 GLN 30 HG2 GLN 30 -5.210 -3.870 -4.814
236 HG3 GLN 30 HG1 GLN 30 -3.474 -3.622 -4.992
237 HE21 GLN 30 1HE2 GLN 30 -2.356 -4.870 -6.389
238 HE22 GLN 30 2HE2 GLN 30 -3.091 -5.807 -7.631
239 H GLN 31 H GLN 31 -6.159 -5.066 -1.608
240 HA GLN 31 HA GLN 31 -7.676 -2.831 -2.424
241 HB2 GLN 31 HB2 GLN 31 -8.673 -5.004 -1.909
242 HB3 GLN 31 HB1 GLN 31 -8.187 -4.841 -0.234
243 HG2 GLN 31 HG2 GLN 31 -9.667 -2.865 -0.042
244 HG3 GLN 31 HG1 GLN 31 -10.215 -3.163 -1.693
245 HE21 GLN 31 1HE2 GLN 31 -11.680 -3.216 0.862
246 HE22 GLN 31 2HE2 GLN 31 -12.377 -4.795 0.926
247 H VAL 32 H VAL 32 -5.903 -3.589 0.457
248 HA VAL 32 HA VAL 32 -6.962 -1.355 1.920
249 HB VAL 32 HB VAL 32 -4.632 -3.162 2.623
250 HG11 VAL 32 HG11 VAL 32 -4.548 -1.053 3.840
251 HG12 VAL 32 HG12 VAL 32 -4.977 -2.377 4.924
252 HG13 VAL 32 3HG1 VAL 32 -6.224 -1.269 4.350
253 HG21 VAL 32 HG21 VAL 32 -7.525 -3.298 3.467
254 HG22 VAL 32 HG22 VAL 32 -6.227 -4.311 4.097
255 HG23 VAL 32 HG23 VAL 32 -6.695 -4.429 2.401
256 H CYS 33 H CYS 33 -3.675 -2.206 0.805
257 HA CYS 33 HA CYS 33 -2.818 0.357 1.588
258 HB2 CYS 33 HB2 CYS 33 -1.296 -1.948 0.443
259 HB3 CYS 33 HB1 CYS 33 -0.542 -0.417 0.875
260 H GLU 34 H GLU 34 -3.223 -1.011 -1.720
261 HA GLU 34 HA GLU 34 -2.219 1.332 -2.878
262 HB2 GLU 34 HB2 GLU 34 -4.039 -0.790 -3.910
263 HB3 GLU 34 HB1 GLU 34 -3.907 0.710 -4.819
264 HG2 GLU 34 HG2 GLU 34 -2.356 -0.574 -5.860
265 HG3 GLU 34 HG1 GLU 34 -1.365 0.225 -4.658
266 H LYS 35 H LYS 35 -5.364 0.561 -1.635
267 HA LYS 35 HA LYS 35 -6.569 2.945 -2.610
268 HB2 LYS 35 HB2 LYS 35 -7.906 0.962 -2.011
269 HB3 LYS 35 HB1 LYS 35 -7.421 1.162 -0.338
270 HG2 LYS 35 HG2 LYS 35 -8.670 3.183 -0.128
271 HG3 LYS 35 HG1 LYS 35 -8.984 3.232 -1.864
272 HD2 LYS 35 HD2 LYS 35 -10.946 2.442 -0.627
273 HD3 LYS 35 HD1 LYS 35 -10.314 1.189 -1.693
274 HE2 LYS 35 HE2 LYS 35 -10.912 0.225 0.433
275 HE3 LYS 35 HE1 LYS 35 -9.167 0.165 0.241
276 HZ1 LYS 35 HZ1 LYS 35 -9.722 0.868 2.444
277 HZ2 LYS 35 HZ2 LYS 35 -10.713 2.086 1.885
278 HZ3 LYS 35 HZ3 LYS 35 -9.050 2.202 1.668
279 H ARG 36 H ARG 36 -4.984 2.037 0.420
280 HA ARG 36 HA ARG 36 -5.379 4.445 1.763
281 HB2 ARG 36 HB2 ARG 36 -3.084 2.504 1.903
282 HB3 ARG 36 HB1 ARG 36 -3.127 3.953 2.887
283 HG2 ARG 36 HG2 ARG 36 -5.226 3.178 3.903
284 HG3 ARG 36 HG1 ARG 36 -5.131 1.704 2.934
285 HD2 ARG 36 HD2 ARG 36 -4.289 1.328 5.191
286 HD3 ARG 36 HD1 ARG 36 -3.008 1.143 3.995
287 HE ARG 36 HE ARG 36 -3.030 3.784 4.926
288 HH11 ARG 36 HH11 ARG 36 -2.275 0.562 6.188
289 HH12 ARG 36 HH12 ARG 36 -1.049 1.114 7.233
290 HH21 ARG 36 HH21 ARG 36 -1.311 4.507 6.385
291 HH22 ARG 36 HH22 ARG 36 -0.491 3.362 7.341
292 H LEU 37 H LEU 37 -2.811 3.504 -0.457
293 HA LEU 37 HA LEU 37 -1.416 5.942 -0.382
294 HB2 LEU 37 HB2 LEU 37 -0.602 3.704 -1.237
295 HB3 LEU 37 HB1 LEU 37 -1.563 3.965 -2.667
296 HG LEU 37 HG LEU 37 0.901 4.363 -2.926
297 HD11 LEU 37 HD11 LEU 37 -0.868 6.704 -3.518
298 HD12 LEU 37 HD12 LEU 37 -0.573 5.291 -4.548
299 HD13 LEU 37 HD13 LEU 37 0.735 6.421 -4.195
300 HD21 LEU 37 HD21 LEU 37 0.362 6.788 -1.224
301 HD22 LEU 37 HD22 LEU 37 1.859 6.435 -2.089
302 HD23 LEU 37 HD23 LEU 37 1.335 5.388 -0.773
303 H ARG 38 H ARG 38 -4.106 4.808 -2.309
304 HA ARG 38 HA ARG 38 -4.273 6.883 -4.189
305 HB2 ARG 38 HB2 ARG 38 -5.533 4.706 -4.227
306 HB3 ARG 38 HB1 ARG 38 -6.574 5.355 -2.971
307 HG2 ARG 38 HG2 ARG 38 -7.147 7.220 -4.553
308 HG3 ARG 38 HG1 ARG 38 -6.282 6.318 -5.798
309 HD2 ARG 38 HD2 ARG 38 -8.609 5.805 -5.974
310 HD3 ARG 38 HD1 ARG 38 -7.777 4.380 -5.339
311 HE ARG 38 HE ARG 38 -8.771 6.064 -3.268
312 HH11 ARG 38 HH11 ARG 38 -9.768 3.517 -5.506
313 HH12 ARG 38 HH12 ARG 38 -11.177 3.129 -4.662
314 HH21 ARG 38 HH21 ARG 38 -10.604 5.601 -2.147
315 HH22 ARG 38 HH22 ARG 38 -11.704 4.378 -2.648
316 H GLU 39 H GLU 39 -5.633 6.541 -0.928
317 HA GLU 39 HA GLU 39 -6.964 9.091 -1.039
318 HB2 GLU 39 HB2 GLU 39 -6.399 7.383 1.388
319 HB3 GLU 39 HB1 GLU 39 -7.567 8.688 1.278
320 HG2 GLU 39 HG2 GLU 39 -7.686 6.000 -0.071
321 HG3 GLU 39 HG1 GLU 39 -8.748 6.620 1.189
322 H ARG 40 H ARG 40 -4.001 7.804 0.156
323 HA ARG 40 HA ARG 40 -2.932 9.678 1.846
324 HB2 ARG 40 HB2 ARG 40 -2.014 7.455 1.076
325 HB3 ARG 40 HB1 ARG 40 -1.484 8.250 -0.387
326 HG2 ARG 40 HG2 ARG 40 0.367 7.944 1.101
327 HG3 ARG 40 HG1 ARG 40 -0.011 9.665 0.979
328 HD2 ARG 40 HD2 ARG 40 -1.011 9.710 3.069
329 HD3 ARG 40 HD1 ARG 40 -1.135 7.950 3.164
330 HE ARG 40 HE ARG 40 1.517 8.357 3.079
331 HH11 ARG 40 HH11 ARG 40 -0.983 9.903 5.030
332 HH12 ARG 40 HH12 ARG 40 -0.000 10.022 6.421
333 HH21 ARG 40 HH21 ARG 40 2.807 8.424 4.959
334 HH22 ARG 40 HH22 ARG 40 2.212 9.153 6.395
335 H GLU 41 H GLU 41 -2.579 9.567 -1.695
336 HA GLU 41 HA GLU 41 -1.589 12.278 -1.756
337 HB2 GLU 41 HB2 GLU 41 -1.434 11.924 -4.213
338 HB3 GLU 41 HB1 GLU 41 -0.551 10.738 -3.268
339 HG2 GLU 41 HG2 GLU 41 -2.260 9.092 -3.644
340 HG3 GLU 41 HG1 GLU 41 -3.277 10.287 -4.447
341 H GLY 42 H GLY 42 -4.587 10.615 -2.401
342 HA2 GLY 42 HA2 GLY 42 -5.839 12.580 -4.004
343 HA3 GLY 42 HA1 GLY 42 -6.656 11.318 -3.101
344 H ARG 43 H ARG 43 -5.749 12.140 -0.535
345 HA ARG 43 HA ARG 43 -7.505 14.434 -0.080
346 HB2 ARG 43 HB2 ARG 43 -6.074 12.550 1.801
347 HB3 ARG 43 HB1 ARG 43 -7.126 13.854 2.318
348 HG2 ARG 43 HG2 ARG 43 -9.045 12.773 1.398
349 HG3 ARG 43 HG1 ARG 43 -8.037 11.587 0.564
350 HD2 ARG 43 HD2 ARG 43 -9.106 10.697 2.616
351 HD3 ARG 43 HD1 ARG 43 -7.349 10.614 2.646
352 HE ARG 43 HE ARG 43 -8.995 12.555 4.148
353 HH11 ARG 43 HH11 ARG 43 -6.017 10.631 3.835
354 HH12 ARG 43 HH12 ARG 43 -5.343 11.248 5.276
355 HH21 ARG 43 HH21 ARG 43 -8.042 13.320 6.129
356 HH22 ARG 43 HH22 ARG 43 -6.456 12.831 6.561
357 H ARG 44 H ARG 44 -4.269 13.721 -0.521
358 HA ARG 44 HA ARG 44 -2.302 14.578 -0.131
359 HB2 ARG 44 HB2 ARG 44 -3.150 16.468 -1.457
360 HB3 ARG 44 HB1 ARG 44 -3.747 17.237 0.012
361 HG2 ARG 44 HG2 ARG 44 -1.478 17.355 0.875
362 HG3 ARG 44 HG1 ARG 44 -0.887 16.589 -0.594
363 HD2 ARG 44 HD2 ARG 44 -1.642 18.499 -1.908
364 HD3 ARG 44 HD1 ARG 44 -2.305 19.254 -0.454
365 HE ARG 44 HE ARG 44 0.404 18.621 -0.075
366 HH11 ARG 44 HH11 ARG 44 -1.560 20.990 -1.845
367 HH12 ARG 44 HH12 ARG 44 -0.401 22.221 -1.745
368 HH21 ARG 44 HH21 ARG 44 2.005 20.320 0.039
369 HH22 ARG 44 HH22 ARG 44 1.649 21.838 -0.639
370 H GLU 45 H GLU 45 -2.101 13.446 1.729
371 HA GLU 45 HA GLU 45 -1.847 15.162 4.098
372 HB2 GLU 45 HB2 GLU 45 -3.866 13.658 4.182
373 HB3 GLU 45 HB1 GLU 45 -2.796 12.281 4.028
374 HG2 GLU 45 HG2 GLU 45 -1.845 12.706 6.185
375 HG3 GLU 45 HG1 GLU 45 -2.721 14.232 6.322
376 H VAL 46 H VAL 46 -0.095 14.460 2.013
377 HA VAL 46 HA VAL 46 1.753 12.479 3.071
378 HB VAL 46 HB VAL 46 2.978 12.785 0.928
379 HG11 VAL 46 HG11 VAL 46 0.046 12.159 0.695
380 HG12 VAL 46 HG12 VAL 46 1.358 11.047 1.116
381 HG13 VAL 46 3HG1 VAL 46 1.271 11.740 -0.504
382 HG21 VAL 46 HG21 VAL 46 1.906 14.038 -0.903
383 HG22 VAL 46 HG22 VAL 46 2.366 15.094 0.432
384 HG23 VAL 46 HG23 VAL 46 0.680 14.619 0.223
385 H ASP 47 H ASP 47 3.902 12.945 3.437
386 HA ASP 47 HA ASP 47 4.620 15.773 3.702
387 HB2 ASP 47 HB2 ASP 47 5.423 13.467 5.511
388 HB3 ASP 47 HB1 ASP 47 6.122 15.075 5.580
Start of MODEL 17
1 H2 PRO 1 HT1 PRO 1 5.619 17.156 3.097
2 H3 PRO 1 HT2 PRO 1 6.829 18.021 3.712
3 HA PRO 1 HA PRO 1 8.059 16.356 4.022
4 HB2 PRO 1 HB2 PRO 1 6.425 14.146 4.619
5 HB3 PRO 1 HB1 PRO 1 7.418 15.067 5.755
6 HG2 PRO 1 HG2 PRO 1 4.518 15.285 5.200
7 HG3 PRO 1 HG1 PRO 1 5.410 15.651 6.680
8 HD2 PRO 1 HD2 PRO 1 4.441 17.611 5.077
9 HD3 PRO 1 HD1 PRO 1 5.957 17.802 5.977
10 H ARG 2 H ARG 2 8.666 14.636 2.586
11 HA ARG 2 HA ARG 2 6.713 13.959 0.595
12 HB2 ARG 2 HB2 ARG 2 8.404 14.499 -1.242
13 HB3 ARG 2 HB1 ARG 2 7.570 15.846 -0.501
14 HG2 ARG 2 HG2 ARG 2 9.840 16.483 -0.855
15 HG3 ARG 2 HG1 ARG 2 9.625 16.252 0.875
16 HD2 ARG 2 HD2 ARG 2 11.748 15.321 0.071
17 HD3 ARG 2 HD1 ARG 2 10.692 14.067 0.722
18 HE ARG 2 HE ARG 2 10.295 14.342 -2.052
19 HH11 ARG 2 HH11 ARG 2 12.725 13.101 0.188
20 HH12 ARG 2 HH12 ARG 2 13.265 11.883 -0.856
21 HH21 ARG 2 HH21 ARG 2 10.972 12.671 -3.449
22 HH22 ARG 2 HH22 ARG 2 12.207 11.597 -2.998
23 H GLY 3 H GLY 3 7.717 12.399 -1.050
24 HA2 GLY 3 HA2 GLY 3 9.851 10.798 -0.682
25 HA3 GLY 3 HA1 GLY 3 8.630 10.152 0.425
26 H SER 4 H SER 4 9.326 8.519 -1.651
27 HA SER 4 HA SER 4 7.521 9.069 -3.805
28 HB2 SER 4 HB2 SER 4 8.439 6.810 -4.631
29 HB3 SER 4 HB1 SER 4 9.553 8.169 -4.569
30 HG SER 4 HG SER 4 10.706 7.101 -3.184
31 HA PRO 5 HA PRO 5 4.092 7.081 -1.704
32 HB2 PRO 5 HB2 PRO 5 3.040 7.023 -4.481
33 HB3 PRO 5 HB1 PRO 5 2.287 7.651 -3.014
34 HG2 PRO 5 HG2 PRO 5 3.257 9.310 -4.845
35 HG3 PRO 5 HG1 PRO 5 3.425 9.626 -3.107
36 HD2 PRO 5 HD2 PRO 5 5.486 8.684 -5.043
37 HD3 PRO 5 HD1 PRO 5 5.627 9.783 -3.659
38 H ARG 6 H ARG 6 5.183 6.067 -4.847
39 HA ARG 6 HA ARG 6 4.118 3.511 -4.936
40 HB2 ARG 6 HB2 ARG 6 5.794 2.908 -6.602
41 HB3 ARG 6 HB1 ARG 6 5.095 4.483 -6.925
42 HG2 ARG 6 HG2 ARG 6 7.109 5.548 -6.029
43 HG3 ARG 6 HG1 ARG 6 7.791 3.959 -5.687
44 HD2 ARG 6 HD2 ARG 6 8.717 4.804 -7.764
45 HD3 ARG 6 HD1 ARG 6 7.690 3.425 -8.088
46 HE ARG 6 HE ARG 6 5.951 5.045 -8.736
47 HH11 ARG 6 HH11 ARG 6 9.347 6.111 -8.830
48 HH12 ARG 6 HH12 ARG 6 9.109 7.177 -10.131
49 HH21 ARG 6 HH21 ARG 6 5.658 6.543 -10.534
50 HH22 ARG 6 HH22 ARG 6 6.996 7.451 -11.089
51 H THR 7 H THR 7 7.175 4.447 -3.372
52 HA THR 7 HA THR 7 7.931 1.721 -2.999
53 HB THR 7 HB THR 7 9.725 2.700 -1.532
54 HG1 THR 7 HG1 THR 7 9.419 5.244 -2.373
55 HG21 THR 7 HG21 THR 7 9.434 3.944 -4.273
56 HG22 THR 7 HG22 THR 7 10.060 2.330 -3.955
57 HG23 THR 7 HG23 THR 7 10.943 3.745 -3.381
58 H GLU 8 H GLU 8 6.385 4.186 -1.057
59 HA GLU 8 HA GLU 8 6.345 2.809 1.419
60 HB2 GLU 8 HB2 GLU 8 4.341 4.789 0.307
61 HB3 GLU 8 HB1 GLU 8 4.491 4.327 1.993
62 HG2 GLU 8 HG2 GLU 8 6.603 5.746 0.389
63 HG3 GLU 8 HG1 GLU 8 5.475 6.521 1.496
64 H TYR 9 H TYR 9 4.097 3.008 -1.304
65 HA TYR 9 HA TYR 9 2.047 1.414 -0.342
66 HB2 TYR 9 HB2 TYR 9 1.547 2.833 -2.084
67 HB3 TYR 9 HB1 TYR 9 3.018 2.467 -2.962
68 HD1 TYR 9 HD1 TYR 9 -0.388 1.354 -2.214
69 HD2 TYR 9 HD2 TYR 9 3.120 0.734 -4.432
70 HE1 TYR 9 HE1 TYR 9 -1.638 -0.175 -3.689
71 HE2 TYR 9 HE2 TYR 9 1.929 -0.823 -5.960
72 HH TYR 9 HH TYR 9 -1.433 -1.071 -6.034
73 H GLU 10 H GLU 10 4.825 0.729 -2.426
74 HA GLU 10 HA GLU 10 4.443 -1.965 -2.906
75 HB2 GLU 10 HB2 GLU 10 6.101 -0.569 -4.034
76 HB3 GLU 10 HB1 GLU 10 7.008 -0.421 -2.543
77 HG2 GLU 10 HG2 GLU 10 7.350 -2.890 -2.602
78 HG3 GLU 10 HG1 GLU 10 6.594 -2.883 -4.200
79 H ALA 11 H ALA 11 6.157 -0.355 -0.249
80 HA ALA 11 HA ALA 11 7.166 -2.626 1.028
81 HB1 ALA 11 HB1 ALA 11 6.386 0.003 2.284
82 HB2 ALA 11 HB2 ALA 11 7.929 -0.348 1.509
83 HB3 ALA 11 HB3 ALA 11 7.469 -1.203 2.981
84 H CYS 12 H CYS 12 4.064 -1.031 1.333
85 HA CYS 12 HA CYS 12 3.165 -2.505 3.574
86 HB2 CYS 12 HB2 CYS 12 2.141 -0.358 2.820
87 HB3 CYS 12 HB1 CYS 12 1.546 -1.180 1.388
88 H ARG 13 H ARG 13 2.985 -3.020 0.082
89 HA ARG 13 HA ARG 13 1.372 -5.353 0.225
90 HB2 ARG 13 HB2 ARG 13 3.238 -4.369 -1.943
91 HB3 ARG 13 HB1 ARG 13 2.209 -5.783 -2.109
92 HG2 ARG 13 HG2 ARG 13 0.229 -4.392 -1.840
93 HG3 ARG 13 HG1 ARG 13 1.250 -2.970 -1.626
94 HD2 ARG 13 HD2 ARG 13 0.377 -3.095 -3.904
95 HD3 ARG 13 HD1 ARG 13 2.129 -3.246 -3.884
96 HE ARG 13 HE ARG 13 1.386 -5.812 -3.902
97 HH11 ARG 13 HH11 ARG 13 0.140 -3.110 -5.928
98 HH12 ARG 13 HH12 ARG 13 -0.076 -4.111 -7.272
99 HH21 ARG 13 HH21 ARG 13 1.023 -7.109 -5.793
100 HH22 ARG 13 HH22 ARG 13 0.420 -6.410 -7.218
101 H VAL 14 H VAL 14 4.855 -4.800 -0.045
102 HA VAL 14 HA VAL 14 5.703 -7.456 -0.097
103 HB VAL 14 HB VAL 14 7.157 -5.067 1.103
104 HG11 VAL 14 HG11 VAL 14 9.208 -6.359 0.754
105 HG12 VAL 14 HG12 VAL 14 8.241 -7.730 0.205
106 HG13 VAL 14 3HG1 VAL 14 8.113 -7.176 1.872
107 HG21 VAL 14 HG21 VAL 14 8.323 -4.964 -1.048
108 HG22 VAL 14 HG22 VAL 14 6.584 -4.745 -1.246
109 HG23 VAL 14 HG23 VAL 14 7.330 -6.292 -1.648
110 H ARG 15 H ARG 15 4.928 -5.376 2.615
111 HA ARG 15 HA ARG 15 5.656 -6.939 4.798
112 HB2 ARG 15 HB2 ARG 15 4.694 -4.645 4.953
113 HB3 ARG 15 HB1 ARG 15 3.136 -5.286 4.465
114 HG2 ARG 15 HG2 ARG 15 3.271 -6.762 6.532
115 HG3 ARG 15 HG1 ARG 15 4.617 -5.744 7.029
116 HD2 ARG 15 HD2 ARG 15 1.860 -4.730 6.355
117 HD3 ARG 15 HD1 ARG 15 2.440 -5.017 7.988
118 HE ARG 15 HE ARG 15 4.254 -3.322 7.253
119 HH11 ARG 15 HH11 ARG 15 0.822 -3.135 6.330
120 HH12 ARG 15 HH12 ARG 15 0.817 -1.427 6.275
121 HH21 ARG 15 HH21 ARG 15 4.172 -0.988 7.181
122 HH22 ARG 15 HH22 ARG 15 2.711 -0.206 6.750
123 H CYS 16 H CYS 16 2.575 -6.884 3.047
124 HA CYS 16 HA CYS 16 1.523 -9.137 4.379
125 HB2 CYS 16 HB2 CYS 16 0.694 -7.785 1.830
126 HB3 CYS 16 HB1 CYS 16 -0.174 -9.148 2.527
127 H GLN 17 H GLN 17 3.523 -8.850 1.543
128 HA GLN 17 HA GLN 17 2.998 -11.436 0.527
129 HB2 GLN 17 HB2 GLN 17 5.424 -9.675 0.184
130 HB3 GLN 17 HB1 GLN 17 5.152 -11.167 -0.700
131 HG2 GLN 17 HG2 GLN 17 3.127 -10.222 -1.678
132 HG3 GLN 17 HG1 GLN 17 3.407 -8.721 -0.795
133 HE21 GLN 17 1HE2 GLN 17 4.436 -10.737 -3.384
134 HE22 GLN 17 2HE2 GLN 17 5.456 -9.581 -4.168
135 H VAL 18 H VAL 18 5.002 -10.321 3.104
136 HA VAL 18 HA VAL 18 6.234 -12.966 3.285
137 HB VAL 18 HB VAL 18 6.876 -10.468 4.874
138 HG11 VAL 18 HG11 VAL 18 8.347 -13.098 4.676
139 HG12 VAL 18 HG12 VAL 18 7.474 -12.495 6.085
140 HG13 VAL 18 3HG1 VAL 18 8.926 -11.666 5.527
141 HG21 VAL 18 HG21 VAL 18 8.893 -10.343 3.479
142 HG22 VAL 18 HG22 VAL 18 7.416 -10.178 2.528
143 HG23 VAL 18 HG23 VAL 18 8.301 -11.702 2.526
144 H ALA 19 H ALA 19 4.412 -10.661 5.302
145 HA ALA 19 HA ALA 19 4.190 -12.416 7.509
146 HB1 ALA 19 HB1 ALA 19 2.601 -10.820 8.392
147 HB2 ALA 19 HB2 ALA 19 2.486 -10.041 6.812
148 HB3 ALA 19 HB3 ALA 19 4.001 -9.984 7.714
149 H GLU 20 H GLU 20 1.767 -11.427 5.095
150 HA GLU 20 HA GLU 20 -0.047 -13.476 6.001
151 HB2 GLU 20 HB2 GLU 20 -0.195 -11.817 3.465
152 HB3 GLU 20 HB1 GLU 20 -1.500 -12.740 4.185
153 HG2 GLU 20 HG2 GLU 20 -0.206 -10.281 5.351
154 HG3 GLU 20 HG1 GLU 20 -1.778 -10.354 4.567
155 H HIS 21 H HIS 21 1.772 -12.784 3.078
156 HA HIS 21 HA HIS 21 2.854 -13.950 1.550
157 HB2 HIS 21 HB2 HIS 21 3.932 -15.213 3.332
158 HB3 HIS 21 HB1 HIS 21 2.575 -16.324 3.407
159 HD1 HIS 21 HD1 HIS 21 2.679 -18.346 1.851
160 HD2 HIS 21 HD2 HIS 21 5.526 -15.456 0.957
161 HE1 HIS 21 HE1 HIS 21 4.179 -19.363 0.108
162 H GLY 22 H GLY 22 -0.022 -15.611 2.635
163 HA2 GLY 22 HA2 GLY 22 -0.587 -17.082 0.339
164 HA3 GLY 22 HA1 GLY 22 -1.789 -16.469 1.464
165 H VAL 23 H VAL 23 -1.413 -16.657 -1.573
166 HA VAL 23 HA VAL 23 -1.191 -14.178 -2.771
167 HB VAL 23 HB VAL 23 -2.815 -16.571 -3.677
168 HG11 VAL 23 HG11 VAL 23 -3.515 -14.543 -4.868
169 HG12 VAL 23 HG12 VAL 23 -2.642 -15.648 -5.932
170 HG13 VAL 23 3HG1 VAL 23 -1.831 -14.219 -5.286
171 HG21 VAL 23 HG21 VAL 23 -0.026 -15.678 -4.356
172 HG22 VAL 23 HG22 VAL 23 -0.872 -17.069 -5.039
173 HG23 VAL 23 HG23 VAL 23 -0.453 -17.043 -3.323
174 H GLU 24 H GLU 24 -4.092 -15.728 -1.492
175 HA GLU 24 HA GLU 24 -5.983 -13.886 -2.404
176 HB2 GLU 24 HB2 GLU 24 -6.007 -15.503 0.148
177 HB3 GLU 24 HB1 GLU 24 -7.384 -14.612 -0.470
178 HG2 GLU 24 HG2 GLU 24 -7.381 -16.008 -2.473
179 HG3 GLU 24 HG1 GLU 24 -5.992 -16.895 -1.844
180 H ARG 25 H ARG 25 -4.227 -13.921 0.662
181 HA ARG 25 HA ARG 25 -5.327 -11.435 1.483
182 HB2 ARG 25 HB2 ARG 25 -3.135 -13.150 2.604
183 HB3 ARG 25 HB1 ARG 25 -3.556 -11.594 3.309
184 HG2 ARG 25 HG2 ARG 25 -5.817 -12.349 3.713
185 HG3 ARG 25 HG1 ARG 25 -5.477 -13.887 2.935
186 HD2 ARG 25 HD2 ARG 25 -4.045 -12.861 5.377
187 HD3 ARG 25 HD1 ARG 25 -5.442 -13.933 5.432
188 HE ARG 25 HE ARG 25 -3.839 -15.339 3.896
189 HH11 ARG 25 HH11 ARG 25 -2.818 -13.450 6.708
190 HH12 ARG 25 HH12 ARG 25 -1.810 -14.679 7.347
191 HH21 ARG 25 HH21 ARG 25 -2.401 -17.008 4.772
192 HH22 ARG 25 HH22 ARG 25 -1.545 -16.696 6.207
193 H GLN 26 H GLN 26 -2.500 -12.353 -0.264
194 HA GLN 26 HA GLN 26 -1.087 -9.920 -0.132
195 HB2 GLN 26 HB2 GLN 26 -0.117 -11.949 -1.108
196 HB3 GLN 26 HB1 GLN 26 -1.300 -11.886 -2.410
197 HG2 GLN 26 HG2 GLN 26 -0.360 -9.691 -3.080
198 HG3 GLN 26 HG1 GLN 26 0.896 -9.907 -1.869
199 HE21 GLN 26 1HE2 GLN 26 -0.430 -12.468 -3.859
200 HE22 GLN 26 2HE2 GLN 26 1.020 -12.748 -4.744
201 H ARG 27 H ARG 27 -3.479 -11.112 -2.470
202 HA ARG 27 HA ARG 27 -3.656 -8.747 -3.992
203 HB2 ARG 27 HB2 ARG 27 -4.468 -10.916 -4.819
204 HB3 ARG 27 HB1 ARG 27 -5.734 -10.914 -3.598
205 HG2 ARG 27 HG2 ARG 27 -6.722 -8.932 -4.611
206 HG3 ARG 27 HG1 ARG 27 -5.451 -8.909 -5.829
207 HD2 ARG 27 HD2 ARG 27 -6.186 -11.126 -6.597
208 HD3 ARG 27 HD1 ARG 27 -7.483 -11.090 -5.402
209 HE ARG 27 HE ARG 27 -7.655 -8.772 -6.919
210 HH11 ARG 27 HH11 ARG 27 -8.157 -12.246 -7.361
211 HH12 ARG 27 HH12 ARG 27 -9.238 -12.057 -8.654
212 HH21 ARG 27 HH21 ARG 27 -9.110 -8.534 -8.672
213 HH22 ARG 27 HH22 ARG 27 -9.800 -9.907 -9.409
214 H ARG 28 H ARG 28 -5.290 -9.857 -1.137
215 HA ARG 28 HA ARG 28 -7.275 -7.897 -0.899
216 HB2 ARG 28 HB2 ARG 28 -7.023 -9.972 0.489
217 HB3 ARG 28 HB1 ARG 28 -5.683 -9.192 1.307
218 HG2 ARG 28 HG2 ARG 28 -7.205 -7.415 2.061
219 HG3 ARG 28 HG1 ARG 28 -8.534 -8.290 1.291
220 HD2 ARG 28 HD2 ARG 28 -8.017 -10.237 2.696
221 HD3 ARG 28 HD1 ARG 28 -6.795 -9.274 3.525
222 HE ARG 28 HE ARG 28 -9.435 -8.139 3.456
223 HH11 ARG 28 HH11 ARG 28 -7.081 -10.035 5.312
224 HH12 ARG 28 HH12 ARG 28 -7.939 -9.929 6.761
225 HH21 ARG 28 HH21 ARG 28 -10.594 -7.972 5.470
226 HH22 ARG 28 HH22 ARG 28 -9.991 -8.746 6.852
227 H CYS 29 H CYS 29 -3.974 -8.069 0.437
228 HA CYS 29 HA CYS 29 -3.963 -5.536 1.548
229 HB2 CYS 29 HB2 CYS 29 -1.766 -7.390 0.745
230 HB3 CYS 29 HB1 CYS 29 -1.446 -5.807 1.443
231 H GLN 30 H GLN 30 -3.408 -6.544 -1.729
232 HA GLN 30 HA GLN 30 -1.996 -4.331 -2.664
233 HB2 GLN 30 HB2 GLN 30 -2.448 -6.259 -4.109
234 HB3 GLN 30 HB1 GLN 30 -4.167 -5.896 -4.088
235 HG2 GLN 30 HG2 GLN 30 -3.697 -3.747 -5.216
236 HG3 GLN 30 HG1 GLN 30 -1.997 -4.190 -5.298
237 HE21 GLN 30 1HE2 GLN 30 -2.620 -7.026 -5.885
238 HE22 GLN 30 2HE2 GLN 30 -3.152 -7.027 -7.518
239 H GLN 31 H GLN 31 -5.484 -4.794 -2.276
240 HA GLN 31 HA GLN 31 -5.988 -2.101 -3.103
241 HB2 GLN 31 HB2 GLN 31 -7.597 -3.869 -3.623
242 HB3 GLN 31 HB1 GLN 31 -7.883 -4.121 -1.909
243 HG2 GLN 31 HG2 GLN 31 -9.665 -2.796 -3.003
244 HG3 GLN 31 HG1 GLN 31 -8.871 -1.934 -1.689
245 HE21 GLN 31 1HE2 GLN 31 -7.415 -2.340 -4.865
246 HE22 GLN 31 2HE2 GLN 31 -7.474 -0.667 -5.269
247 H VAL 32 H VAL 32 -5.868 -3.816 -0.029
248 HA VAL 32 HA VAL 32 -6.816 -1.722 1.591
249 HB VAL 32 HB VAL 32 -4.737 -3.825 2.319
250 HG11 VAL 32 HG11 VAL 32 -5.345 -3.387 4.659
251 HG12 VAL 32 HG12 VAL 32 -6.390 -2.068 4.136
252 HG13 VAL 32 3HG1 VAL 32 -4.651 -1.962 3.886
253 HG21 VAL 32 HG21 VAL 32 -7.724 -3.785 2.763
254 HG22 VAL 32 HG22 VAL 32 -6.618 -5.019 3.359
255 HG23 VAL 32 HG23 VAL 32 -6.854 -4.813 1.625
256 H CYS 33 H CYS 33 -3.497 -2.517 0.635
257 HA CYS 33 HA CYS 33 -2.368 -0.265 1.905
258 HB2 CYS 33 HB2 CYS 33 -1.262 -2.036 -0.269
259 HB3 CYS 33 HB1 CYS 33 -0.335 -0.837 0.631
260 H GLU 34 H GLU 34 -3.752 -0.803 -1.277
261 HA GLU 34 HA GLU 34 -2.706 1.545 -2.453
262 HB2 GLU 34 HB2 GLU 34 -3.715 -0.342 -3.763
263 HB3 GLU 34 HB1 GLU 34 -5.280 0.104 -3.114
264 HG2 GLU 34 HG2 GLU 34 -5.151 2.264 -4.199
265 HG3 GLU 34 HG1 GLU 34 -3.553 1.868 -4.821
266 H LYS 35 H LYS 35 -5.714 0.771 -0.780
267 HA LYS 35 HA LYS 35 -6.832 3.336 -0.963
268 HB2 LYS 35 HB2 LYS 35 -8.136 1.338 -0.382
269 HB3 LYS 35 HB1 LYS 35 -7.284 1.221 1.149
270 HG2 LYS 35 HG2 LYS 35 -8.237 3.309 1.898
271 HG3 LYS 35 HG1 LYS 35 -8.994 3.559 0.332
272 HD2 LYS 35 HD2 LYS 35 -9.601 1.239 2.166
273 HD3 LYS 35 HD1 LYS 35 -10.563 2.712 2.069
274 HE2 LYS 35 HE2 LYS 35 -10.076 0.730 -0.163
275 HE3 LYS 35 HE1 LYS 35 -11.574 0.968 0.727
276 HZ1 LYS 35 HZ1 LYS 35 -11.670 3.255 -0.180
277 HZ2 LYS 35 HZ2 LYS 35 -11.689 2.089 -1.370
278 HZ3 LYS 35 HZ3 LYS 35 -10.285 2.944 -1.087
279 H ARG 36 H ARG 36 -4.774 1.846 1.474
280 HA ARG 36 HA ARG 36 -4.652 4.005 3.279
281 HB2 ARG 36 HB2 ARG 36 -2.545 1.945 2.601
282 HB3 ARG 36 HB1 ARG 36 -2.389 3.103 3.906
283 HG2 ARG 36 HG2 ARG 36 -4.521 0.983 3.693
284 HG3 ARG 36 HG1 ARG 36 -3.073 0.889 4.692
285 HD2 ARG 36 HD2 ARG 36 -5.306 2.901 4.953
286 HD3 ARG 36 HD1 ARG 36 -4.981 1.548 6.033
287 HE ARG 36 HE ARG 36 -2.697 3.170 5.863
288 HH11 ARG 36 HH11 ARG 36 -5.941 3.227 7.241
289 HH12 ARG 36 HH12 ARG 36 -5.543 4.308 8.495
290 HH21 ARG 36 HH21 ARG 36 -2.143 4.652 7.551
291 HH22 ARG 36 HH22 ARG 36 -3.317 5.130 8.695
292 H LEU 37 H LEU 37 -2.893 3.343 0.324
293 HA LEU 37 HA LEU 37 -1.092 5.510 0.546
294 HB2 LEU 37 HB2 LEU 37 -0.814 3.408 -0.854
295 HB3 LEU 37 HB1 LEU 37 -1.995 4.057 -1.957
296 HG LEU 37 HG LEU 37 0.364 4.249 -2.745
297 HD11 LEU 37 HD11 LEU 37 -1.272 5.721 -3.675
298 HD12 LEU 37 HD12 LEU 37 0.287 6.531 -3.516
299 HD13 LEU 37 HD13 LEU 37 -1.013 6.880 -2.370
300 HD21 LEU 37 HD21 LEU 37 1.844 5.893 -1.747
301 HD22 LEU 37 HD22 LEU 37 1.417 4.640 -0.580
302 HD23 LEU 37 HD23 LEU 37 0.652 6.228 -0.491
303 H ARG 38 H ARG 38 -4.218 5.035 -1.056
304 HA ARG 38 HA ARG 38 -4.400 7.534 -2.329
305 HB2 ARG 38 HB2 ARG 38 -6.644 5.831 -1.267
306 HB3 ARG 38 HB1 ARG 38 -6.836 7.177 -2.378
307 HG2 ARG 38 HG2 ARG 38 -5.423 4.575 -2.896
308 HG3 ARG 38 HG1 ARG 38 -6.957 5.115 -3.578
309 HD2 ARG 38 HD2 ARG 38 -5.777 6.964 -4.705
310 HD3 ARG 38 HD1 ARG 38 -4.251 6.367 -4.051
311 HE ARG 38 HE ARG 38 -5.797 4.461 -5.503
312 HH11 ARG 38 HH11 ARG 38 -3.168 6.885 -5.718
313 HH12 ARG 38 HH12 ARG 38 -2.557 6.261 -7.177
314 HH21 ARG 38 HH21 ARG 38 -4.881 3.618 -7.529
315 HH22 ARG 38 HH22 ARG 38 -3.529 4.395 -8.210
316 H GLU 39 H GLU 39 -5.275 6.549 0.904
317 HA GLU 39 HA GLU 39 -6.427 9.044 1.618
318 HB2 GLU 39 HB2 GLU 39 -5.231 6.910 3.357
319 HB3 GLU 39 HB1 GLU 39 -6.238 8.233 3.933
320 HG2 GLU 39 HG2 GLU 39 -7.077 5.984 2.104
321 HG3 GLU 39 HG1 GLU 39 -7.546 6.213 3.788
322 H ARG 40 H ARG 40 -3.231 7.705 1.752
323 HA ARG 40 HA ARG 40 -2.071 9.779 3.284
324 HB2 ARG 40 HB2 ARG 40 -0.995 7.612 3.135
325 HB3 ARG 40 HB1 ARG 40 -0.829 7.784 1.395
326 HG2 ARG 40 HG2 ARG 40 0.691 9.608 1.672
327 HG3 ARG 40 HG1 ARG 40 0.501 9.555 3.426
328 HD2 ARG 40 HD2 ARG 40 1.470 7.333 3.479
329 HD3 ARG 40 HD1 ARG 40 1.588 7.319 1.719
330 HE ARG 40 HE ARG 40 2.955 9.481 2.267
331 HH11 ARG 40 HH11 ARG 40 3.100 6.383 3.972
332 HH12 ARG 40 HH12 ARG 40 4.787 6.408 4.194
333 HH21 ARG 40 HH21 ARG 40 5.286 9.574 2.645
334 HH22 ARG 40 HH22 ARG 40 6.050 8.331 3.481
335 H GLU 41 H GLU 41 -2.174 9.149 -0.230
336 HA GLU 41 HA GLU 41 -0.795 11.528 -0.872
337 HB2 GLU 41 HB2 GLU 41 -1.575 11.185 -3.208
338 HB3 GLU 41 HB1 GLU 41 -0.828 9.751 -2.527
339 HG2 GLU 41 HG2 GLU 41 -2.889 8.699 -2.239
340 HG3 GLU 41 HG1 GLU 41 -3.798 10.169 -2.584
341 H GLY 42 H GLY 42 -4.216 10.772 -0.462
342 HA2 GLY 42 HA2 GLY 42 -5.198 13.226 -1.485
343 HA3 GLY 42 HA1 GLY 42 -6.061 12.134 -0.407
344 H ARG 43 H ARG 43 -3.983 12.256 1.594
345 HA ARG 43 HA ARG 43 -4.864 14.511 3.079
346 HB2 ARG 43 HB2 ARG 43 -4.238 12.390 4.125
347 HB3 ARG 43 HB1 ARG 43 -2.595 12.571 3.554
348 HG2 ARG 43 HG2 ARG 43 -2.353 14.566 4.997
349 HG3 ARG 43 HG1 ARG 43 -3.990 14.289 5.601
350 HD2 ARG 43 HD2 ARG 43 -1.699 12.335 5.797
351 HD3 ARG 43 HD1 ARG 43 -2.270 13.364 7.109
352 HE ARG 43 HE ARG 43 -4.496 12.084 6.526
353 HH11 ARG 43 HH11 ARG 43 -1.241 10.690 6.758
354 HH12 ARG 43 HH12 ARG 43 -1.775 9.197 7.336
355 HH21 ARG 43 HH21 ARG 43 -5.224 10.058 7.303
356 HH22 ARG 43 HH22 ARG 43 -4.121 8.806 7.651
357 H ARG 44 H ARG 44 -2.158 13.881 1.003
358 HA ARG 44 HA ARG 44 -0.781 16.313 1.849
359 HB2 ARG 44 HB2 ARG 44 0.583 14.288 1.487
360 HB3 ARG 44 HB1 ARG 44 0.027 14.211 -0.178
361 HG2 ARG 44 HG2 ARG 44 1.131 16.298 -0.675
362 HG3 ARG 44 HG1 ARG 44 1.631 16.463 1.005
363 HD2 ARG 44 HD2 ARG 44 2.974 14.434 0.805
364 HD3 ARG 44 HD1 ARG 44 2.467 14.241 -0.869
365 HE ARG 44 HE ARG 44 3.737 16.731 -0.112
366 HH11 ARG 44 HH11 ARG 44 4.150 13.586 -1.704
367 HH12 ARG 44 HH12 ARG 44 5.541 14.053 -2.566
368 HH21 ARG 44 HH21 ARG 44 5.626 17.363 -1.289
369 HH22 ARG 44 HH22 ARG 44 6.367 16.259 -2.350
370 H GLU 45 H GLU 45 -1.926 14.852 -1.167
371 HA GLU 45 HA GLU 45 -2.017 17.458 -2.431
372 HB2 GLU 45 HB2 GLU 45 -0.831 15.724 -3.669
373 HB3 GLU 45 HB1 GLU 45 -2.198 14.636 -3.523
374 HG2 GLU 45 HG2 GLU 45 -3.521 16.058 -4.976
375 HG3 GLU 45 HG1 GLU 45 -2.205 17.227 -5.063
376 H VAL 46 H VAL 46 -3.864 18.395 -1.867
377 HA VAL 46 HA VAL 46 -6.290 16.859 -1.574
378 HB VAL 46 HB VAL 46 -7.374 18.987 -0.953
379 HG11 VAL 46 HG11 VAL 46 -6.269 17.723 0.787
380 HG12 VAL 46 HG12 VAL 46 -6.089 19.452 1.091
381 HG13 VAL 46 3HG1 VAL 46 -4.742 18.526 0.431
382 HG21 VAL 46 HG21 VAL 46 -6.090 21.053 -0.760
383 HG22 VAL 46 HG22 VAL 46 -6.115 20.496 -2.436
384 HG23 VAL 46 HG23 VAL 46 -4.676 20.255 -1.444
385 H ASP 47 H ASP 47 -8.225 17.302 -2.787
386 HA ASP 47 HA ASP 47 -7.662 18.322 -5.476
387 HB2 ASP 47 HB2 ASP 47 -7.840 15.847 -5.461
388 HB3 ASP 47 HB1 ASP 47 -9.448 15.993 -4.754
Start of MODEL 18
1 H2 PRO 1 HT1 PRO 1 5.065 13.993 2.903
2 H3 PRO 1 HT2 PRO 1 3.965 14.851 3.743
3 HA PRO 1 HA PRO 1 3.698 13.349 5.184
4 HB2 PRO 1 HB2 PRO 1 4.187 10.880 3.911
5 HB3 PRO 1 HB1 PRO 1 2.621 11.500 4.451
6 HG2 PRO 1 HG2 PRO 1 3.837 11.533 1.752
7 HG3 PRO 1 HG1 PRO 1 2.129 11.571 2.210
8 HD2 PRO 1 HD2 PRO 1 3.393 13.749 1.252
9 HD3 PRO 1 HD1 PRO 1 2.117 13.869 2.468
10 H ARG 2 H ARG 2 5.197 11.468 6.037
11 HA ARG 2 HA ARG 2 7.859 12.446 5.908
12 HB2 ARG 2 HB2 ARG 2 6.936 11.503 7.958
13 HB3 ARG 2 HB1 ARG 2 6.698 9.956 7.171
14 HG2 ARG 2 HG2 ARG 2 9.131 9.741 6.903
15 HG3 ARG 2 HG1 ARG 2 9.338 11.272 7.754
16 HD2 ARG 2 HD2 ARG 2 8.298 10.348 9.735
17 HD3 ARG 2 HD1 ARG 2 7.981 8.833 8.890
18 HE ARG 2 HE ARG 2 10.724 9.583 8.883
19 HH11 ARG 2 HH11 ARG 2 8.248 8.106 10.899
20 HH12 ARG 2 HH12 ARG 2 9.306 7.081 11.745
21 HH21 ARG 2 HH21 ARG 2 12.222 8.163 10.035
22 HH22 ARG 2 HH22 ARG 2 11.637 7.099 11.218
23 H GLY 3 H GLY 3 9.292 11.990 4.411
24 HA2 GLY 3 HA2 GLY 3 10.604 10.699 3.026
25 HA3 GLY 3 HA1 GLY 3 9.519 9.339 3.300
26 H SER 4 H SER 4 7.402 9.477 2.321
27 HA SER 4 HA SER 4 6.734 11.176 0.205
28 HB2 SER 4 HB2 SER 4 7.133 9.569 -1.662
29 HB3 SER 4 HB1 SER 4 8.643 10.137 -0.951
30 HG SER 4 HG SER 4 8.910 8.208 0.064
31 HA PRO 5 HA PRO 5 3.003 8.649 0.885
32 HB2 PRO 5 HB2 PRO 5 2.572 8.623 -2.060
33 HB3 PRO 5 HB1 PRO 5 1.487 9.188 -0.786
34 HG2 PRO 5 HG2 PRO 5 2.707 10.955 -2.344
35 HG3 PRO 5 HG1 PRO 5 2.561 11.229 -0.595
36 HD2 PRO 5 HD2 PRO 5 4.933 10.265 -2.143
37 HD3 PRO 5 HD1 PRO 5 4.849 11.490 -0.859
38 H ARG 6 H ARG 6 5.107 7.950 -1.755
39 HA ARG 6 HA ARG 6 4.423 5.341 -2.434
40 HB2 ARG 6 HB2 ARG 6 5.905 6.677 -3.814
41 HB3 ARG 6 HB1 ARG 6 7.137 6.650 -2.565
42 HG2 ARG 6 HG2 ARG 6 7.730 5.117 -4.325
43 HG3 ARG 6 HG1 ARG 6 7.350 4.208 -2.867
44 HD2 ARG 6 HD2 ARG 6 5.119 3.717 -3.758
45 HD3 ARG 6 HD1 ARG 6 5.496 4.635 -5.216
46 HE ARG 6 HE ARG 6 7.354 2.497 -4.645
47 HH11 ARG 6 HH11 ARG 6 4.260 3.236 -6.249
48 HH12 ARG 6 HH12 ARG 6 4.417 1.990 -7.388
49 HH21 ARG 6 HH21 ARG 6 7.527 0.823 -6.171
50 HH22 ARG 6 HH22 ARG 6 6.318 0.571 -7.354
51 H THR 7 H THR 7 6.698 6.407 0.098
52 HA THR 7 HA THR 7 7.837 3.920 0.568
53 HB THR 7 HB THR 7 8.847 5.971 1.488
54 HG1 THR 7 HG1 THR 7 9.734 4.889 3.014
55 HG21 THR 7 HG21 THR 7 8.002 6.972 3.565
56 HG22 THR 7 HG22 THR 7 6.600 5.901 3.505
57 HG23 THR 7 HG23 THR 7 6.830 7.125 2.256
58 H GLU 8 H GLU 8 4.814 5.182 1.822
59 HA GLU 8 HA GLU 8 4.421 3.191 3.810
60 HB2 GLU 8 HB2 GLU 8 3.226 5.350 3.798
61 HB3 GLU 8 HB1 GLU 8 2.400 4.878 2.321
62 HG2 GLU 8 HG2 GLU 8 1.449 2.933 3.583
63 HG3 GLU 8 HG1 GLU 8 2.126 3.638 5.044
64 H TYR 9 H TYR 9 3.133 3.671 0.527
65 HA TYR 9 HA TYR 9 1.530 1.432 0.431
66 HB2 TYR 9 HB2 TYR 9 1.024 3.189 -0.951
67 HB3 TYR 9 HB1 TYR 9 2.685 3.407 -1.462
68 HD1 TYR 9 HD1 TYR 9 3.459 2.453 -3.298
69 HD2 TYR 9 HD2 TYR 9 -0.259 1.230 -1.820
70 HE1 TYR 9 HE1 TYR 9 3.085 1.217 -5.407
71 HE2 TYR 9 HE2 TYR 9 -0.717 -0.030 -3.892
72 HH TYR 9 HH TYR 9 -0.032 -0.006 -6.172
73 H GLU 10 H GLU 10 4.767 2.026 -0.869
74 HA GLU 10 HA GLU 10 5.089 -0.424 -2.159
75 HB2 GLU 10 HB2 GLU 10 6.433 1.651 -2.487
76 HB3 GLU 10 HB1 GLU 10 7.222 1.332 -0.955
77 HG2 GLU 10 HG2 GLU 10 8.171 -0.700 -1.832
78 HG3 GLU 10 HG1 GLU 10 7.304 -0.469 -3.353
79 H ALA 11 H ALA 11 6.100 0.600 1.117
80 HA ALA 11 HA ALA 11 7.280 -1.863 1.829
81 HB1 ALA 11 HB1 ALA 11 6.089 0.248 3.628
82 HB2 ALA 11 HB2 ALA 11 7.757 0.206 3.051
83 HB3 ALA 11 HB3 ALA 11 7.168 -1.052 4.134
84 H CYS 12 H CYS 12 4.038 -0.572 2.158
85 HA CYS 12 HA CYS 12 2.872 -2.507 3.760
86 HB2 CYS 12 HB2 CYS 12 1.825 -0.356 3.107
87 HB3 CYS 12 HB1 CYS 12 1.629 -0.963 1.475
88 H ARG 13 H ARG 13 3.390 -2.486 0.238
89 HA ARG 13 HA ARG 13 1.908 -4.835 -0.299
90 HB2 ARG 13 HB2 ARG 13 4.242 -3.739 -1.888
91 HB3 ARG 13 HB1 ARG 13 3.107 -4.953 -2.450
92 HG2 ARG 13 HG2 ARG 13 1.299 -3.222 -2.171
93 HG3 ARG 13 HG1 ARG 13 2.586 -2.047 -1.906
94 HD2 ARG 13 HD2 ARG 13 2.158 -3.734 -4.373
95 HD3 ARG 13 HD1 ARG 13 1.884 -2.004 -4.227
96 HE ARG 13 HE ARG 13 4.599 -2.776 -3.656
97 HH11 ARG 13 HH11 ARG 13 2.351 -1.875 -6.244
98 HH12 ARG 13 HH12 ARG 13 3.580 -1.542 -7.376
99 HH21 ARG 13 HH21 ARG 13 6.269 -2.290 -5.227
100 HH22 ARG 13 HH22 ARG 13 5.841 -1.779 -6.797
101 H VAL 14 H VAL 14 5.341 -4.284 0.274
102 HA VAL 14 HA VAL 14 6.126 -7.014 0.031
103 HB VAL 14 HB VAL 14 7.500 -4.798 1.592
104 HG11 VAL 14 HG11 VAL 14 9.551 -6.104 1.279
105 HG12 VAL 14 HG12 VAL 14 8.620 -7.375 0.489
106 HG13 VAL 14 3HG1 VAL 14 8.340 -7.008 2.190
107 HG21 VAL 14 HG21 VAL 14 7.889 -5.654 -1.276
108 HG22 VAL 14 HG22 VAL 14 8.867 -4.462 -0.418
109 HG23 VAL 14 HG23 VAL 14 7.161 -4.144 -0.727
110 H ARG 15 H ARG 15 5.127 -5.034 2.760
111 HA ARG 15 HA ARG 15 5.739 -6.697 4.891
112 HB2 ARG 15 HB2 ARG 15 4.885 -4.373 5.077
113 HB3 ARG 15 HB1 ARG 15 3.290 -4.950 4.621
114 HG2 ARG 15 HG2 ARG 15 3.259 -6.378 6.619
115 HG3 ARG 15 HG1 ARG 15 4.821 -5.722 7.096
116 HD2 ARG 15 HD2 ARG 15 3.769 -3.445 7.051
117 HD3 ARG 15 HD1 ARG 15 2.215 -4.245 6.815
118 HE ARG 15 HE ARG 15 3.923 -4.856 9.103
119 HH11 ARG 15 HH11 ARG 15 0.759 -3.768 7.862
120 HH12 ARG 15 HH12 ARG 15 0.027 -3.763 9.403
121 HH21 ARG 15 HH21 ARG 15 2.854 -4.809 11.226
122 HH22 ARG 15 HH22 ARG 15 1.226 -4.322 11.307
123 H CYS 16 H CYS 16 2.623 -6.521 3.155
124 HA CYS 16 HA CYS 16 1.673 -8.838 4.495
125 HB2 CYS 16 HB2 CYS 16 0.594 -7.182 2.279
126 HB3 CYS 16 HB1 CYS 16 -0.127 -8.748 2.629
127 H GLN 17 H GLN 17 3.556 -8.411 1.673
128 HA GLN 17 HA GLN 17 2.903 -10.847 0.417
129 HB2 GLN 17 HB2 GLN 17 4.116 -8.984 -0.688
130 HB3 GLN 17 HB1 GLN 17 5.493 -9.284 0.357
131 HG2 GLN 17 HG2 GLN 17 5.814 -11.440 -0.616
132 HG3 GLN 17 HG1 GLN 17 4.373 -11.240 -1.624
133 HE21 GLN 17 1HE2 GLN 17 7.651 -10.374 -1.117
134 HE22 GLN 17 2HE2 GLN 17 7.911 -9.585 -2.631
135 H VAL 18 H VAL 18 5.207 -9.912 2.888
136 HA VAL 18 HA VAL 18 6.295 -12.573 3.141
137 HB VAL 18 HB VAL 18 6.713 -10.149 4.917
138 HG11 VAL 18 HG11 VAL 18 8.345 -12.672 4.652
139 HG12 VAL 18 HG12 VAL 18 7.322 -12.240 6.020
140 HG13 VAL 18 3HG1 VAL 18 8.756 -11.280 5.655
141 HG21 VAL 18 HG21 VAL 18 8.797 -9.815 3.689
142 HG22 VAL 18 HG22 VAL 18 7.396 -9.688 2.625
143 HG23 VAL 18 HG23 VAL 18 8.382 -11.153 2.623
144 H ALA 19 H ALA 19 4.026 -10.511 4.875
145 HA ALA 19 HA ALA 19 3.774 -12.277 7.099
146 HB1 ALA 19 HB1 ALA 19 1.921 -10.048 6.304
147 HB2 ALA 19 HB2 ALA 19 3.384 -9.855 7.269
148 HB3 ALA 19 HB3 ALA 19 2.040 -10.817 7.887
149 H GLU 20 H GLU 20 1.497 -11.527 4.448
150 HA GLU 20 HA GLU 20 -0.374 -13.479 5.392
151 HB2 GLU 20 HB2 GLU 20 -0.312 -12.031 2.741
152 HB3 GLU 20 HB1 GLU 20 -1.672 -12.920 3.405
153 HG2 GLU 20 HG2 GLU 20 -0.465 -10.406 4.538
154 HG3 GLU 20 HG1 GLU 20 -1.983 -10.529 3.654
155 H HIS 21 H HIS 21 1.789 -13.222 2.613
156 HA HIS 21 HA HIS 21 2.895 -14.716 1.351
157 HB2 HIS 21 HB2 HIS 21 3.447 -15.897 3.474
158 HB3 HIS 21 HB1 HIS 21 1.967 -16.823 3.329
159 HD1 HIS 21 HD1 HIS 21 5.527 -16.878 2.368
160 HD2 HIS 21 HD2 HIS 21 2.008 -18.716 1.138
161 HE1 HIS 21 HE1 HIS 21 6.218 -18.894 1.035
162 H GLY 22 H GLY 22 -0.250 -16.057 2.287
163 HA2 GLY 22 HA2 GLY 22 -0.660 -17.430 -0.178
164 HA3 GLY 22 HA1 GLY 22 -1.901 -17.062 1.014
165 H VAL 23 H VAL 23 -1.530 -16.758 -2.025
166 HA VAL 23 HA VAL 23 -1.326 -14.077 -2.705
167 HB VAL 23 HB VAL 23 -2.732 -16.287 -4.230
168 HG11 VAL 23 HG11 VAL 23 -1.747 -13.608 -5.216
169 HG12 VAL 23 HG12 VAL 23 -3.431 -14.064 -5.002
170 HG13 VAL 23 3HG1 VAL 23 -2.443 -14.892 -6.209
171 HG21 VAL 23 HG21 VAL 23 -0.376 -16.722 -3.752
172 HG22 VAL 23 HG22 VAL 23 0.057 -15.166 -4.453
173 HG23 VAL 23 HG23 VAL 23 -0.636 -16.429 -5.472
174 H GLU 24 H GLU 24 -4.211 -15.907 -1.880
175 HA GLU 24 HA GLU 24 -6.102 -13.988 -2.650
176 HB2 GLU 24 HB2 GLU 24 -6.194 -16.183 -0.606
177 HB3 GLU 24 HB1 GLU 24 -7.533 -15.065 -0.764
178 HG2 GLU 24 HG2 GLU 24 -7.869 -17.176 -1.993
179 HG3 GLU 24 HG1 GLU 24 -7.931 -15.757 -3.027
180 H ARG 25 H ARG 25 -4.599 -14.419 0.538
181 HA ARG 25 HA ARG 25 -5.876 -12.090 1.571
182 HB2 ARG 25 HB2 ARG 25 -3.679 -13.830 2.626
183 HB3 ARG 25 HB1 ARG 25 -4.225 -12.405 3.488
184 HG2 ARG 25 HG2 ARG 25 -6.503 -13.362 3.524
185 HG3 ARG 25 HG1 ARG 25 -5.864 -14.826 2.778
186 HD2 ARG 25 HD2 ARG 25 -4.943 -13.657 5.393
187 HD3 ARG 25 HD1 ARG 25 -6.079 -14.989 5.229
188 HE ARG 25 HE ARG 25 -4.194 -16.164 4.053
189 HH11 ARG 25 HH11 ARG 25 -3.357 -13.537 6.255
190 HH12 ARG 25 HH12 ARG 25 -2.100 -14.374 7.027
191 HH21 ARG 25 HH21 ARG 25 -2.378 -17.320 5.085
192 HH22 ARG 25 HH22 ARG 25 -1.519 -16.543 6.337
193 H GLN 26 H GLN 26 -2.802 -12.729 0.072
194 HA GLN 26 HA GLN 26 -1.606 -10.258 0.731
195 HB2 GLN 26 HB2 GLN 26 -0.338 -12.226 -0.041
196 HB3 GLN 26 HB1 GLN 26 -1.102 -12.093 -1.616
197 HG2 GLN 26 HG2 GLN 26 -0.061 -9.934 -1.949
198 HG3 GLN 26 HG1 GLN 26 0.701 -10.051 -0.362
199 HE21 GLN 26 1HE2 GLN 26 1.855 -9.804 -2.986
200 HE22 GLN 26 2HE2 GLN 26 2.911 -11.161 -3.201
201 H ARG 27 H ARG 27 -3.557 -11.375 -1.993
202 HA ARG 27 HA ARG 27 -3.493 -9.062 -3.559
203 HB2 ARG 27 HB2 ARG 27 -4.342 -11.309 -4.278
204 HB3 ARG 27 HB1 ARG 27 -5.766 -11.052 -3.290
205 HG2 ARG 27 HG2 ARG 27 -6.355 -10.589 -5.549
206 HG3 ARG 27 HG1 ARG 27 -6.274 -9.044 -4.703
207 HD2 ARG 27 HD2 ARG 27 -5.225 -8.845 -6.869
208 HD3 ARG 27 HD1 ARG 27 -3.988 -8.705 -5.619
209 HE ARG 27 HE ARG 27 -4.329 -11.371 -6.626
210 HH11 ARG 27 HH11 ARG 27 -2.670 -8.313 -7.256
211 HH12 ARG 27 HH12 ARG 27 -1.441 -9.001 -8.196
212 HH21 ARG 27 HH21 ARG 27 -2.689 -12.321 -7.939
213 HH22 ARG 27 HH22 ARG 27 -1.431 -11.351 -8.573
214 H ARG 28 H ARG 28 -5.458 -9.990 -0.807
215 HA ARG 28 HA ARG 28 -7.272 -7.799 -0.878
216 HB2 ARG 28 HB2 ARG 28 -6.325 -9.462 1.460
217 HB3 ARG 28 HB1 ARG 28 -7.579 -8.248 1.585
218 HG2 ARG 28 HG2 ARG 28 -8.916 -9.535 -0.053
219 HG3 ARG 28 HG1 ARG 28 -7.659 -10.777 -0.036
220 HD2 ARG 28 HD2 ARG 28 -9.505 -11.356 1.463
221 HD3 ARG 28 HD1 ARG 28 -8.003 -11.114 2.356
222 HE ARG 28 HE ARG 28 -9.449 -8.703 2.264
223 HH11 ARG 28 HH11 ARG 28 -9.588 -11.873 3.887
224 HH12 ARG 28 HH12 ARG 28 -10.462 -11.289 5.218
225 HH21 ARG 28 HH21 ARG 28 -10.641 -7.926 4.107
226 HH22 ARG 28 HH22 ARG 28 -11.062 -8.982 5.360
227 H CYS 29 H CYS 29 -4.285 -8.356 0.923
228 HA CYS 29 HA CYS 29 -4.115 -5.971 2.290
229 HB2 CYS 29 HB2 CYS 29 -2.157 -7.981 1.413
230 HB3 CYS 29 HB1 CYS 29 -1.533 -6.415 1.903
231 H GLN 30 H GLN 30 -2.758 -6.670 -0.940
232 HA GLN 30 HA GLN 30 -1.512 -4.182 -1.146
233 HB2 GLN 30 HB2 GLN 30 -1.264 -4.627 -3.543
234 HB3 GLN 30 HB1 GLN 30 -0.853 -6.023 -2.571
235 HG2 GLN 30 HG2 GLN 30 -3.084 -6.970 -3.083
236 HG3 GLN 30 HG1 GLN 30 -3.368 -5.603 -4.161
237 HE21 GLN 30 1HE2 GLN 30 -2.175 -5.438 -6.070
238 HE22 GLN 30 2HE2 GLN 30 -1.282 -6.747 -6.712
239 H GLN 31 H GLN 31 -4.803 -5.074 -1.741
240 HA GLN 31 HA GLN 31 -5.508 -2.710 -3.155
241 HB2 GLN 31 HB2 GLN 31 -7.209 -4.649 -1.591
242 HB3 GLN 31 HB1 GLN 31 -7.833 -3.363 -2.619
243 HG2 GLN 31 HG2 GLN 31 -6.800 -4.357 -4.549
244 HG3 GLN 31 HG1 GLN 31 -6.085 -5.620 -3.545
245 HE21 GLN 31 1HE2 GLN 31 -7.069 -7.181 -4.666
246 HE22 GLN 31 2HE2 GLN 31 -8.748 -7.566 -4.553
247 H VAL 32 H VAL 32 -5.533 -3.708 0.211
248 HA VAL 32 HA VAL 32 -6.725 -1.370 1.276
249 HB VAL 32 HB VAL 32 -4.688 -3.168 2.637
250 HG11 VAL 32 HG11 VAL 32 -5.046 -1.099 3.840
251 HG12 VAL 32 HG12 VAL 32 -5.775 -2.439 4.729
252 HG13 VAL 32 3HG1 VAL 32 -6.790 -1.344 3.794
253 HG21 VAL 32 HG21 VAL 32 -6.610 -4.408 3.553
254 HG22 VAL 32 HG22 VAL 32 -6.525 -4.519 1.795
255 HG23 VAL 32 HG23 VAL 32 -7.694 -3.440 2.554
256 H CYS 33 H CYS 33 -3.423 -2.341 0.614
257 HA CYS 33 HA CYS 33 -2.060 -0.144 1.636
258 HB2 CYS 33 HB2 CYS 33 -1.318 -1.792 -0.791
259 HB3 CYS 33 HB1 CYS 33 -0.227 -0.738 0.096
260 H GLU 34 H GLU 34 -3.405 -0.597 -1.660
261 HA GLU 34 HA GLU 34 -2.519 2.008 -2.415
262 HB2 GLU 34 HB2 GLU 34 -3.718 1.649 -4.531
263 HB3 GLU 34 HB1 GLU 34 -2.645 0.326 -4.139
264 HG2 GLU 34 HG2 GLU 34 -4.531 -0.972 -3.358
265 HG3 GLU 34 HG1 GLU 34 -5.620 0.352 -3.776
266 H LYS 35 H LYS 35 -5.437 0.698 -1.085
267 HA LYS 35 HA LYS 35 -7.151 2.866 -1.533
268 HB2 LYS 35 HB2 LYS 35 -8.011 0.764 -0.648
269 HB3 LYS 35 HB1 LYS 35 -6.997 0.908 0.773
270 HG2 LYS 35 HG2 LYS 35 -9.296 1.422 1.336
271 HG3 LYS 35 HG1 LYS 35 -8.290 2.854 1.509
272 HD2 LYS 35 HD2 LYS 35 -10.390 3.468 0.479
273 HD3 LYS 35 HD1 LYS 35 -9.098 3.639 -0.704
274 HE2 LYS 35 HE2 LYS 35 -9.721 1.526 -1.727
275 HE3 LYS 35 HE1 LYS 35 -10.944 1.259 -0.488
276 HZ1 LYS 35 HZ1 LYS 35 -12.113 3.202 -1.264
277 HZ2 LYS 35 HZ2 LYS 35 -11.922 2.123 -2.534
278 HZ3 LYS 35 HZ3 LYS 35 -10.954 3.499 -2.444
279 H ARG 36 H ARG 36 -5.029 2.130 1.228
280 HA ARG 36 HA ARG 36 -5.455 4.593 2.564
281 HB2 ARG 36 HB2 ARG 36 -2.992 2.868 2.704
282 HB3 ARG 36 HB1 ARG 36 -3.451 4.105 3.851
283 HG2 ARG 36 HG2 ARG 36 -5.455 2.722 4.398
284 HG3 ARG 36 HG1 ARG 36 -4.759 1.449 3.385
285 HD2 ARG 36 HD2 ARG 36 -3.569 2.693 5.846
286 HD3 ARG 36 HD1 ARG 36 -4.093 1.020 5.651
287 HE ARG 36 HE ARG 36 -2.151 1.484 3.732
288 HH11 ARG 36 HH11 ARG 36 -2.228 1.592 7.269
289 HH12 ARG 36 HH12 ARG 36 -0.605 1.112 7.452
290 HH21 ARG 36 HH21 ARG 36 0.076 0.923 3.982
291 HH22 ARG 36 HH22 ARG 36 0.756 0.700 5.521
292 H LEU 37 H LEU 37 -3.294 3.584 0.049
293 HA LEU 37 HA LEU 37 -1.533 5.778 0.146
294 HB2 LEU 37 HB2 LEU 37 -1.030 3.616 -0.981
295 HB3 LEU 37 HB1 LEU 37 -2.245 3.985 -2.172
296 HG LEU 37 HG LEU 37 0.213 4.251 -2.848
297 HD11 LEU 37 HD11 LEU 37 -0.213 6.202 -4.231
298 HD12 LEU 37 HD12 LEU 37 -1.670 6.541 -3.290
299 HD13 LEU 37 HD13 LEU 37 -1.559 5.061 -4.243
300 HD21 LEU 37 HD21 LEU 37 1.253 6.394 -2.334
301 HD22 LEU 37 HD22 LEU 37 0.980 5.451 -0.869
302 HD23 LEU 37 HD23 LEU 37 -0.089 6.796 -1.266
303 H ARG 38 H ARG 38 -4.524 5.182 -1.665
304 HA ARG 38 HA ARG 38 -4.426 7.617 -3.093
305 HB2 ARG 38 HB2 ARG 38 -5.891 5.719 -3.761
306 HB3 ARG 38 HB1 ARG 38 -6.873 5.994 -2.332
307 HG2 ARG 38 HG2 ARG 38 -7.583 8.135 -3.156
308 HG3 ARG 38 HG1 ARG 38 -6.469 8.027 -4.514
309 HD2 ARG 38 HD2 ARG 38 -7.698 6.122 -5.394
310 HD3 ARG 38 HD1 ARG 38 -8.793 6.171 -4.010
311 HE ARG 38 HE ARG 38 -9.157 8.588 -4.908
312 HH11 ARG 38 HH11 ARG 38 -8.908 5.628 -6.872
313 HH12 ARG 38 HH12 ARG 38 -9.932 6.207 -8.088
314 HH21 ARG 38 HH21 ARG 38 -10.556 9.349 -6.608
315 HH22 ARG 38 HH22 ARG 38 -10.896 8.353 -7.933
316 H GLU 39 H GLU 39 -5.698 6.718 0.041
317 HA GLU 39 HA GLU 39 -6.882 9.186 0.723
318 HB2 GLU 39 HB2 GLU 39 -5.499 7.219 2.562
319 HB3 GLU 39 HB1 GLU 39 -6.622 8.468 3.059
320 HG2 GLU 39 HG2 GLU 39 -8.384 7.321 1.739
321 HG3 GLU 39 HG1 GLU 39 -7.229 6.028 1.416
322 H ARG 40 H ARG 40 -3.671 7.848 1.285
323 HA ARG 40 HA ARG 40 -2.428 9.918 2.627
324 HB2 ARG 40 HB2 ARG 40 -1.464 7.670 2.329
325 HB3 ARG 40 HB1 ARG 40 -1.234 7.994 0.621
326 HG2 ARG 40 HG2 ARG 40 0.860 8.185 1.810
327 HG3 ARG 40 HG1 ARG 40 0.372 9.761 1.185
328 HD2 ARG 40 HD2 ARG 40 1.223 9.961 3.450
329 HD3 ARG 40 HD1 ARG 40 -0.492 10.363 3.395
330 HE ARG 40 HE ARG 40 0.023 7.619 4.054
331 HH11 ARG 40 HH11 ARG 40 -0.332 10.871 5.396
332 HH12 ARG 40 HH12 ARG 40 -0.605 10.317 6.982
333 HH21 ARG 40 HH21 ARG 40 -0.317 6.887 6.145
334 HH22 ARG 40 HH22 ARG 40 -0.589 7.979 7.447
335 H GLU 41 H GLU 41 -2.693 9.378 -0.863
336 HA GLU 41 HA GLU 41 -1.194 11.610 -1.661
337 HB2 GLU 41 HB2 GLU 41 -3.462 10.284 -3.122
338 HB3 GLU 41 HB1 GLU 41 -2.327 11.426 -3.823
339 HG2 GLU 41 HG2 GLU 41 -0.515 9.775 -3.150
340 HG3 GLU 41 HG1 GLU 41 -1.835 8.633 -2.882
341 H GLY 42 H GLY 42 -4.607 11.247 -0.924
342 HA2 GLY 42 HA2 GLY 42 -5.327 13.880 -1.763
343 HA3 GLY 42 HA1 GLY 42 -6.308 12.804 -0.778
344 H ARG 43 H ARG 43 -3.833 12.637 0.991
345 HA ARG 43 HA ARG 43 -4.501 14.898 2.670
346 HB2 ARG 43 HB2 ARG 43 -2.453 12.713 3.111
347 HB3 ARG 43 HB1 ARG 43 -2.987 13.881 4.312
348 HG2 ARG 43 HG2 ARG 43 -5.229 12.954 4.247
349 HG3 ARG 43 HG1 ARG 43 -4.734 11.820 2.993
350 HD2 ARG 43 HD2 ARG 43 -3.039 10.923 4.631
351 HD3 ARG 43 HD1 ARG 43 -3.818 11.946 5.843
352 HE ARG 43 HE ARG 43 -5.756 10.415 4.566
353 HH11 ARG 43 HH11 ARG 43 -3.173 10.087 6.969
354 HH12 ARG 43 HH12 ARG 43 -3.785 8.669 7.680
355 HH21 ARG 43 HH21 ARG 43 -6.629 8.440 5.541
356 HH22 ARG 43 HH22 ARG 43 -5.801 7.697 6.831
357 H ARG 44 H ARG 44 -1.996 13.855 0.518
358 HA ARG 44 HA ARG 44 -0.175 15.965 1.256
359 HB2 ARG 44 HB2 ARG 44 0.625 13.815 0.225
360 HB3 ARG 44 HB1 ARG 44 -0.180 14.276 -1.270
361 HG2 ARG 44 HG2 ARG 44 1.246 16.272 -1.406
362 HG3 ARG 44 HG1 ARG 44 2.076 15.769 0.062
363 HD2 ARG 44 HD2 ARG 44 2.691 13.644 -1.155
364 HD3 ARG 44 HD1 ARG 44 2.064 14.396 -2.624
365 HE ARG 44 HE ARG 44 3.845 16.167 -1.435
366 HH11 ARG 44 HH11 ARG 44 3.961 13.128 -3.264
367 HH12 ARG 44 HH12 ARG 44 5.607 13.265 -3.629
368 HH21 ARG 44 HH21 ARG 44 6.098 16.338 -1.983
369 HH22 ARG 44 HH22 ARG 44 6.845 15.125 -2.916
370 H GLU 45 H GLU 45 -2.356 15.235 -1.398
371 HA GLU 45 HA GLU 45 -2.238 18.005 -2.305
372 HB2 GLU 45 HB2 GLU 45 -1.662 15.989 -3.800
373 HB3 GLU 45 HB1 GLU 45 -3.374 15.613 -3.743
374 HG2 GLU 45 HG2 GLU 45 -2.870 16.790 -5.762
375 HG3 GLU 45 HG1 GLU 45 -3.853 17.814 -4.711
376 H VAL 46 H VAL 46 -3.813 18.886 -0.922
377 HA VAL 46 HA VAL 46 -6.290 17.399 -0.596
378 HB VAL 46 HB VAL 46 -5.145 18.257 1.440
379 HG11 VAL 46 HG11 VAL 46 -5.924 20.989 0.463
380 HG12 VAL 46 HG12 VAL 46 -4.290 20.358 0.618
381 HG13 VAL 46 3HG1 VAL 46 -5.274 20.611 2.060
382 HG21 VAL 46 HG21 VAL 46 -7.508 17.738 1.548
383 HG22 VAL 46 HG22 VAL 46 -7.911 19.362 0.988
384 HG23 VAL 46 HG23 VAL 46 -7.147 19.137 2.562
385 H ASP 47 H ASP 47 -5.121 20.308 -2.098
386 HA ASP 47 HA ASP 47 -7.876 21.014 -2.734
387 HB2 ASP 47 HB2 ASP 47 -7.128 23.278 -3.276
388 HB3 ASP 47 HB1 ASP 47 -6.601 22.848 -1.659
Start of MODEL 19
1 H2 PRO 1 HT1 PRO 1 8.970 14.442 -9.576
2 H3 PRO 1 HT2 PRO 1 9.443 13.737 -10.966
3 HA PRO 1 HA PRO 1 8.575 11.878 -10.489
4 HB2 PRO 1 HB2 PRO 1 8.624 11.602 -7.682
5 HB3 PRO 1 HB1 PRO 1 9.637 10.746 -8.854
6 HG2 PRO 1 HG2 PRO 1 10.249 13.152 -7.242
7 HG3 PRO 1 HG1 PRO 1 11.341 11.909 -7.872
8 HD2 PRO 1 HD2 PRO 1 11.230 14.372 -8.952
9 HD3 PRO 1 HD1 PRO 1 11.509 12.935 -9.956
10 H ARG 2 H ARG 2 6.666 11.167 -8.884
11 HA ARG 2 HA ARG 2 4.974 13.533 -8.698
12 HB2 ARG 2 HB2 ARG 2 3.075 11.984 -8.614
13 HB3 ARG 2 HB1 ARG 2 4.080 11.660 -10.009
14 HG2 ARG 2 HG2 ARG 2 5.109 9.774 -8.786
15 HG3 ARG 2 HG1 ARG 2 3.989 10.074 -7.457
16 HD2 ARG 2 HD2 ARG 2 3.189 9.435 -10.291
17 HD3 ARG 2 HD1 ARG 2 3.246 8.262 -8.973
18 HE ARG 2 HE ARG 2 1.611 9.943 -7.910
19 HH11 ARG 2 HH11 ARG 2 1.689 8.983 -11.317
20 HH12 ARG 2 HH12 ARG 2 0.024 9.216 -11.560
21 HH21 ARG 2 HH21 ARG 2 -0.688 10.218 -8.238
22 HH22 ARG 2 HH22 ARG 2 -1.358 9.941 -9.776
23 H GLY 3 H GLY 3 3.271 13.222 -6.766
24 HA2 GLY 3 HA2 GLY 3 4.867 13.552 -4.426
25 HA3 GLY 3 HA1 GLY 3 3.121 13.678 -4.537
26 H SER 4 H SER 4 3.186 10.883 -5.767
27 HA SER 4 HA SER 4 2.435 9.397 -3.602
28 HB2 SER 4 HB2 SER 4 3.702 8.328 -6.127
29 HB3 SER 4 HB1 SER 4 2.603 7.477 -5.039
30 HG SER 4 HG SER 4 1.167 9.418 -5.535
31 HA PRO 5 HA PRO 5 6.305 8.923 -1.414
32 HB2 PRO 5 HB2 PRO 5 5.362 7.161 0.452
33 HB3 PRO 5 HB1 PRO 5 5.099 8.907 0.515
34 HG2 PRO 5 HG2 PRO 5 3.280 6.741 -0.421
35 HG3 PRO 5 HG1 PRO 5 2.906 8.187 0.533
36 HD2 PRO 5 HD2 PRO 5 2.375 8.006 -2.091
37 HD3 PRO 5 HD1 PRO 5 2.828 9.542 -1.332
38 H ARG 6 H ARG 6 4.591 6.262 -2.804
39 HA ARG 6 HA ARG 6 5.045 4.178 -3.418
40 HB2 ARG 6 HB2 ARG 6 6.890 5.055 -4.729
41 HB3 ARG 6 HB1 ARG 6 7.948 5.028 -3.322
42 HG2 ARG 6 HG2 ARG 6 7.805 2.610 -3.216
43 HG3 ARG 6 HG1 ARG 6 6.680 2.591 -4.558
44 HD2 ARG 6 HD2 ARG 6 8.398 3.426 -6.045
45 HD3 ARG 6 HD1 ARG 6 9.534 3.558 -4.696
46 HE ARG 6 HE ARG 6 9.038 1.058 -4.453
47 HH11 ARG 6 HH11 ARG 6 9.388 2.705 -7.582
48 HH12 ARG 6 HH12 ARG 6 9.829 1.276 -8.405
49 HH21 ARG 6 HH21 ARG 6 9.624 -0.789 -5.545
50 HH22 ARG 6 HH22 ARG 6 10.021 -0.781 -7.216
51 H THR 7 H THR 7 7.452 4.885 -0.917
52 HA THR 7 HA THR 7 7.798 2.332 0.014
53 HB THR 7 HB THR 7 9.288 4.075 0.742
54 HG1 THR 7 HG1 THR 7 8.054 3.333 3.154
55 HG21 THR 7 HG21 THR 7 7.751 5.964 0.876
56 HG22 THR 7 HG22 THR 7 8.637 5.804 2.393
57 HG23 THR 7 HG23 THR 7 6.964 5.252 2.283
58 H GLU 8 H GLU 8 5.266 4.575 1.010
59 HA GLU 8 HA GLU 8 4.086 3.157 3.094
60 HB2 GLU 8 HB2 GLU 8 2.908 4.937 0.981
61 HB3 GLU 8 HB1 GLU 8 1.958 4.276 2.299
62 HG2 GLU 8 HG2 GLU 8 4.385 6.017 2.618
63 HG3 GLU 8 HG1 GLU 8 2.710 6.573 2.712
64 H TYR 9 H TYR 9 3.449 2.979 -0.366
65 HA TYR 9 HA TYR 9 1.325 1.140 -0.183
66 HB2 TYR 9 HB2 TYR 9 1.288 2.760 -1.864
67 HB3 TYR 9 HB1 TYR 9 2.966 2.497 -2.288
68 HD1 TYR 9 HD1 TYR 9 -0.459 1.387 -2.717
69 HD2 TYR 9 HD2 TYR 9 3.581 0.760 -3.657
70 HE1 TYR 9 HE1 TYR 9 -1.157 -0.059 -4.592
71 HE2 TYR 9 HE2 TYR 9 2.973 -0.690 -5.537
72 HH TYR 9 HH TYR 9 -0.168 -0.787 -6.741
73 H GLU 10 H GLU 10 4.652 1.079 -1.321
74 HA GLU 10 HA GLU 10 4.823 -1.562 -2.089
75 HB2 GLU 10 HB2 GLU 10 6.367 0.123 -2.805
76 HB3 GLU 10 HB1 GLU 10 6.917 0.374 -1.162
77 HG2 GLU 10 HG2 GLU 10 7.977 -1.747 -1.117
78 HG3 GLU 10 HG1 GLU 10 7.237 -2.200 -2.655
79 H ALA 11 H ALA 11 5.892 -0.113 1.042
80 HA ALA 11 HA ALA 11 6.794 -2.538 2.133
81 HB1 ALA 11 HB1 ALA 11 7.422 -0.342 3.057
82 HB2 ALA 11 HB2 ALA 11 6.760 -1.408 4.296
83 HB3 ALA 11 HB3 ALA 11 5.766 -0.116 3.621
84 H CYS 12 H CYS 12 3.660 -0.964 2.194
85 HA CYS 12 HA CYS 12 2.294 -2.642 3.927
86 HB2 CYS 12 HB2 CYS 12 1.347 -0.577 3.136
87 HB3 CYS 12 HB1 CYS 12 1.438 -1.109 1.469
88 H ARG 13 H ARG 13 2.789 -2.964 0.409
89 HA ARG 13 HA ARG 13 1.377 -5.394 0.081
90 HB2 ARG 13 HB2 ARG 13 3.555 -4.133 -1.592
91 HB3 ARG 13 HB1 ARG 13 2.708 -5.599 -2.055
92 HG2 ARG 13 HG2 ARG 13 0.606 -4.377 -2.134
93 HG3 ARG 13 HG1 ARG 13 1.430 -2.907 -1.611
94 HD2 ARG 13 HD2 ARG 13 1.070 -2.914 -4.037
95 HD3 ARG 13 HD1 ARG 13 2.782 -2.921 -3.640
96 HE ARG 13 HE ARG 13 2.239 -5.538 -3.965
97 HH11 ARG 13 HH11 ARG 13 1.438 -2.769 -6.121
98 HH12 ARG 13 HH12 ARG 13 1.711 -3.674 -7.513
99 HH21 ARG 13 HH21 ARG 13 2.534 -6.706 -5.955
100 HH22 ARG 13 HH22 ARG 13 2.337 -5.919 -7.448
101 H VAL 14 H VAL 14 4.810 -4.675 0.467
102 HA VAL 14 HA VAL 14 5.791 -7.288 0.341
103 HB VAL 14 HB VAL 14 6.910 -4.897 1.846
104 HG11 VAL 14 HG11 VAL 14 8.282 -7.475 1.078
105 HG12 VAL 14 HG12 VAL 14 7.867 -6.972 2.717
106 HG13 VAL 14 3HG1 VAL 14 9.062 -6.062 1.791
107 HG21 VAL 14 HG21 VAL 14 7.533 -6.029 -0.875
108 HG22 VAL 14 HG22 VAL 14 8.395 -4.702 -0.103
109 HG23 VAL 14 HG23 VAL 14 6.696 -4.513 -0.538
110 H ARG 15 H ARG 15 4.632 -5.416 3.095
111 HA ARG 15 HA ARG 15 5.235 -7.102 5.178
112 HB2 ARG 15 HB2 ARG 15 4.306 -4.863 5.499
113 HB3 ARG 15 HB1 ARG 15 2.793 -5.369 4.789
114 HG2 ARG 15 HG2 ARG 15 2.781 -5.149 7.280
115 HG3 ARG 15 HG1 ARG 15 2.244 -6.709 6.665
116 HD2 ARG 15 HD2 ARG 15 3.748 -6.805 8.656
117 HD3 ARG 15 HD1 ARG 15 4.303 -7.749 7.275
118 HE ARG 15 HE ARG 15 5.436 -5.156 7.287
119 HH11 ARG 15 HH11 ARG 15 5.650 -8.218 9.026
120 HH12 ARG 15 HH12 ARG 15 7.328 -8.135 9.293
121 HH21 ARG 15 HH21 ARG 15 7.722 -4.990 7.663
122 HH22 ARG 15 HH22 ARG 15 8.561 -6.220 8.495
123 H CYS 16 H CYS 16 2.240 -7.116 3.255
124 HA CYS 16 HA CYS 16 1.500 -9.563 4.522
125 HB2 CYS 16 HB2 CYS 16 0.236 -8.050 2.272
126 HB3 CYS 16 HB1 CYS 16 -0.368 -9.618 2.810
127 H GLN 17 H GLN 17 3.248 -8.830 1.647
128 HA GLN 17 HA GLN 17 2.879 -11.323 0.379
129 HB2 GLN 17 HB2 GLN 17 3.677 -9.254 -0.738
130 HB3 GLN 17 HB1 GLN 17 5.184 -9.386 0.149
131 HG2 GLN 17 HG2 GLN 17 5.716 -11.433 -0.976
132 HG3 GLN 17 HG1 GLN 17 4.160 -11.422 -1.806
133 HE21 GLN 17 1HE2 GLN 17 6.800 -11.452 -2.911
134 HE22 GLN 17 2HE2 GLN 17 6.957 -10.058 -3.911
135 H VAL 18 H VAL 18 5.065 -10.199 2.851
136 HA VAL 18 HA VAL 18 6.512 -12.730 2.812
137 HB VAL 18 HB VAL 18 7.030 -10.242 4.473
138 HG11 VAL 18 HG11 VAL 18 7.847 -12.243 5.611
139 HG12 VAL 18 HG12 VAL 18 9.193 -11.272 5.018
140 HG13 VAL 18 3HG1 VAL 18 8.713 -12.733 4.155
141 HG21 VAL 18 HG21 VAL 18 8.960 -9.917 2.985
142 HG22 VAL 18 HG22 VAL 18 7.438 -9.878 2.097
143 HG23 VAL 18 HG23 VAL 18 8.457 -11.315 2.034
144 H ALA 19 H ALA 19 4.605 -10.793 5.168
145 HA ALA 19 HA ALA 19 4.913 -12.793 7.179
146 HB1 ALA 19 HB1 ALA 19 3.518 -11.389 8.575
147 HB2 ALA 19 HB2 ALA 19 3.057 -10.423 7.174
148 HB3 ALA 19 HB3 ALA 19 4.726 -10.410 7.740
149 H GLU 20 H GLU 20 2.238 -11.854 5.067
150 HA GLU 20 HA GLU 20 0.493 -13.853 6.242
151 HB2 GLU 20 HB2 GLU 20 0.144 -12.130 3.774
152 HB3 GLU 20 HB1 GLU 20 -1.094 -13.110 4.541
153 HG2 GLU 20 HG2 GLU 20 0.271 -10.873 5.992
154 HG3 GLU 20 HG1 GLU 20 -1.122 -10.592 4.955
155 H HIS 21 H HIS 21 1.839 -13.128 3.068
156 HA HIS 21 HA HIS 21 2.454 -14.268 1.284
157 HB2 HIS 21 HB2 HIS 21 4.193 -15.122 2.833
158 HB3 HIS 21 HB1 HIS 21 3.159 -16.484 3.230
159 HD1 HIS 21 HD1 HIS 21 3.857 -18.546 2.008
160 HD2 HIS 21 HD2 HIS 21 4.639 -15.106 -0.179
161 HE1 HIS 21 HE1 HIS 21 5.017 -19.313 -0.105
162 H GLY 22 H GLY 22 0.651 -14.430 0.156
163 HA2 GLY 22 HA2 GLY 22 -0.340 -16.853 -0.649
164 HA3 GLY 22 HA1 GLY 22 -1.428 -16.285 0.622
165 H VAL 23 H VAL 23 -2.063 -16.555 -2.195
166 HA VAL 23 HA VAL 23 -1.836 -14.088 -3.544
167 HB VAL 23 HB VAL 23 -3.936 -16.229 -3.990
168 HG11 VAL 23 HG11 VAL 23 -4.118 -15.343 -6.260
169 HG12 VAL 23 HG12 VAL 23 -2.996 -14.047 -5.848
170 HG13 VAL 23 3HG1 VAL 23 -4.566 -14.141 -5.051
171 HG21 VAL 23 HG21 VAL 23 -1.246 -15.871 -5.304
172 HG22 VAL 23 HG22 VAL 23 -2.454 -17.074 -5.748
173 HG23 VAL 23 HG23 VAL 23 -1.684 -17.141 -4.164
174 H GLU 24 H GLU 24 -4.556 -15.465 -1.723
175 HA GLU 24 HA GLU 24 -6.270 -13.270 -2.080
176 HB2 GLU 24 HB2 GLU 24 -7.576 -14.153 -0.180
177 HB3 GLU 24 HB1 GLU 24 -7.167 -15.423 -1.323
178 HG2 GLU 24 HG2 GLU 24 -5.474 -16.256 0.166
179 HG3 GLU 24 HG1 GLU 24 -5.709 -14.893 1.256
180 H ARG 25 H ARG 25 -3.945 -14.038 0.378
181 HA ARG 25 HA ARG 25 -4.500 -11.905 2.142
182 HB2 ARG 25 HB2 ARG 25 -1.977 -13.503 1.721
183 HB3 ARG 25 HB1 ARG 25 -2.223 -12.361 3.031
184 HG2 ARG 25 HG2 ARG 25 -3.941 -14.800 2.576
185 HG3 ARG 25 HG1 ARG 25 -2.553 -14.756 3.660
186 HD2 ARG 25 HD2 ARG 25 -3.625 -12.991 4.967
187 HD3 ARG 25 HD1 ARG 25 -5.013 -13.013 3.881
188 HE ARG 25 HE ARG 25 -5.273 -15.390 4.617
189 HH11 ARG 25 HH11 ARG 25 -3.704 -13.035 6.816
190 HH12 ARG 25 HH12 ARG 25 -4.247 -13.843 8.212
191 HH21 ARG 25 HH21 ARG 25 -6.021 -16.390 6.565
192 HH22 ARG 25 HH22 ARG 25 -5.576 -15.752 8.089
193 H GLN 26 H GLN 26 -2.157 -12.273 -0.489
194 HA GLN 26 HA GLN 26 -0.877 -9.807 -0.197
195 HB2 GLN 26 HB2 GLN 26 0.032 -11.644 -1.556
196 HB3 GLN 26 HB1 GLN 26 -1.276 -11.438 -2.710
197 HG2 GLN 26 HG2 GLN 26 -0.474 -9.167 -3.191
198 HG3 GLN 26 HG1 GLN 26 0.856 -9.411 -2.065
199 HE21 GLN 26 1HE2 GLN 26 2.485 -10.803 -2.624
200 HE22 GLN 26 2HE2 GLN 26 2.792 -11.312 -4.238
201 H ARG 27 H ARG 27 -3.518 -10.784 -2.365
202 HA ARG 27 HA ARG 27 -3.774 -8.201 -3.495
203 HB2 ARG 27 HB2 ARG 27 -5.716 -10.502 -3.517
204 HB3 ARG 27 HB1 ARG 27 -5.910 -9.030 -4.456
205 HG2 ARG 27 HG2 ARG 27 -3.761 -9.529 -5.590
206 HG3 ARG 27 HG1 ARG 27 -3.705 -11.062 -4.716
207 HD2 ARG 27 HD2 ARG 27 -4.613 -11.382 -6.948
208 HD3 ARG 27 HD1 ARG 27 -5.843 -11.708 -5.725
209 HE ARG 27 HE ARG 27 -5.858 -9.012 -6.694
210 HH11 ARG 27 HH11 ARG 27 -7.054 -12.268 -7.361
211 HH12 ARG 27 HH12 ARG 27 -8.402 -11.744 -8.260
212 HH21 ARG 27 HH21 ARG 27 -7.721 -8.300 -7.950
213 HH22 ARG 27 HH22 ARG 27 -8.768 -9.458 -8.626
214 H ARG 28 H ARG 28 -5.289 -9.710 -0.746
215 HA ARG 28 HA ARG 28 -7.362 -7.828 -0.380
216 HB2 ARG 28 HB2 ARG 28 -7.162 -10.076 0.699
217 HB3 ARG 28 HB1 ARG 28 -5.883 -9.426 1.701
218 HG2 ARG 28 HG2 ARG 28 -7.421 -7.929 2.780
219 HG3 ARG 28 HG1 ARG 28 -8.719 -8.421 1.684
220 HD2 ARG 28 HD2 ARG 28 -7.268 -10.186 3.653
221 HD3 ARG 28 HD1 ARG 28 -8.934 -9.616 3.791
222 HE ARG 28 HE ARG 28 -9.081 -10.839 1.485
223 HH11 ARG 28 HH11 ARG 28 -7.534 -11.977 4.475
224 HH12 ARG 28 HH12 ARG 28 -7.697 -13.627 4.096
225 HH21 ARG 28 HH21 ARG 28 -9.268 -13.104 0.960
226 HH22 ARG 28 HH22 ARG 28 -8.637 -14.287 2.027
227 H CYS 29 H CYS 29 -4.120 -8.113 1.075
228 HA CYS 29 HA CYS 29 -4.234 -5.681 2.447
229 HB2 CYS 29 HB2 CYS 29 -1.892 -7.299 1.483
230 HB3 CYS 29 HB1 CYS 29 -1.766 -5.902 2.543
231 H GLN 30 H GLN 30 -2.957 -6.571 -0.759
232 HA GLN 30 HA GLN 30 -1.787 -4.147 -1.436
233 HB2 GLN 30 HB2 GLN 30 -1.521 -6.231 -2.742
234 HB3 GLN 30 HB1 GLN 30 -3.188 -6.088 -3.281
235 HG2 GLN 30 HG2 GLN 30 -2.641 -3.983 -4.401
236 HG3 GLN 30 HG1 GLN 30 -0.968 -4.148 -3.878
237 HE21 GLN 30 1HE2 GLN 30 -2.105 -3.992 -6.542
238 HE22 GLN 30 2HE2 GLN 30 -1.567 -5.399 -7.371
239 H GLN 31 H GLN 31 -5.117 -5.204 -1.689
240 HA GLN 31 HA GLN 31 -6.156 -3.036 -3.106
241 HB2 GLN 31 HB2 GLN 31 -7.353 -5.138 -2.712
242 HB3 GLN 31 HB1 GLN 31 -7.446 -4.769 -1.003
243 HG2 GLN 31 HG2 GLN 31 -8.888 -2.889 -1.449
244 HG3 GLN 31 HG1 GLN 31 -8.724 -3.154 -3.186
245 HE21 GLN 31 1HE2 GLN 31 -10.900 -3.444 -3.424
246 HE22 GLN 31 2HE2 GLN 31 -11.715 -4.874 -2.895
247 H VAL 32 H VAL 32 -5.732 -3.574 0.349
248 HA VAL 32 HA VAL 32 -6.751 -1.058 1.161
249 HB VAL 32 HB VAL 32 -4.761 -2.841 2.604
250 HG11 VAL 32 HG11 VAL 32 -6.514 -0.629 3.681
251 HG12 VAL 32 HG12 VAL 32 -4.760 -0.573 3.515
252 HG13 VAL 32 3HG1 VAL 32 -5.504 -1.699 4.652
253 HG21 VAL 32 HG21 VAL 32 -6.712 -3.654 3.850
254 HG22 VAL 32 HG22 VAL 32 -6.821 -4.022 2.128
255 HG23 VAL 32 HG23 VAL 32 -7.764 -2.695 2.808
256 H CYS 33 H CYS 33 -3.468 -2.217 0.460
257 HA CYS 33 HA CYS 33 -1.984 0.074 1.075
258 HB2 CYS 33 HB2 CYS 33 -1.454 -1.752 -1.279
259 HB3 CYS 33 HB1 CYS 33 -0.279 -0.768 -0.421
260 H GLU 34 H GLU 34 -3.589 -0.868 -1.925
261 HA GLU 34 HA GLU 34 -2.909 1.252 -3.574
262 HB2 GLU 34 HB2 GLU 34 -3.942 -0.851 -4.301
263 HB3 GLU 34 HB1 GLU 34 -5.413 -0.434 -3.448
264 HG2 GLU 34 HG2 GLU 34 -5.720 -0.082 -5.795
265 HG3 GLU 34 HG1 GLU 34 -5.709 1.470 -4.967
266 H LYS 35 H LYS 35 -5.706 0.798 -1.423
267 HA LYS 35 HA LYS 35 -6.967 3.255 -1.968
268 HB2 LYS 35 HB2 LYS 35 -8.047 1.342 -0.768
269 HB3 LYS 35 HB1 LYS 35 -7.051 1.721 0.633
270 HG2 LYS 35 HG2 LYS 35 -8.078 4.025 0.604
271 HG3 LYS 35 HG1 LYS 35 -9.210 3.419 -0.599
272 HD2 LYS 35 HD2 LYS 35 -10.229 3.331 1.598
273 HD3 LYS 35 HD1 LYS 35 -9.936 1.687 1.022
274 HE2 LYS 35 HE2 LYS 35 -8.016 1.456 2.416
275 HE3 LYS 35 HE1 LYS 35 -8.037 3.173 2.816
276 HZ1 LYS 35 HZ1 LYS 35 -10.114 1.195 3.602
277 HZ2 LYS 35 HZ2 LYS 35 -10.077 2.824 4.034
278 HZ3 LYS 35 HZ3 LYS 35 -8.889 1.785 4.598
279 H ARG 36 H ARG 36 -4.762 2.312 0.648
280 HA ARG 36 HA ARG 36 -4.572 4.714 2.051
281 HB2 ARG 36 HB2 ARG 36 -2.682 2.455 1.614
282 HB3 ARG 36 HB1 ARG 36 -2.192 3.830 2.592
283 HG2 ARG 36 HG2 ARG 36 -4.701 2.325 3.204
284 HG3 ARG 36 HG1 ARG 36 -3.136 1.665 3.679
285 HD2 ARG 36 HD2 ARG 36 -4.106 2.930 5.506
286 HD3 ARG 36 HD1 ARG 36 -2.652 3.722 4.914
287 HE ARG 36 HE ARG 36 -5.153 4.646 3.815
288 HH11 ARG 36 HH11 ARG 36 -2.510 5.234 6.143
289 HH12 ARG 36 HH12 ARG 36 -3.076 6.766 6.618
290 HH21 ARG 36 HH21 ARG 36 -5.948 6.776 4.547
291 HH22 ARG 36 HH22 ARG 36 -5.020 7.681 5.655
292 H LEU 37 H LEU 37 -2.766 3.631 -0.775
293 HA LEU 37 HA LEU 37 -1.012 5.853 -0.793
294 HB2 LEU 37 HB2 LEU 37 -0.692 3.552 -1.877
295 HB3 LEU 37 HB1 LEU 37 -1.731 4.119 -3.156
296 HG LEU 37 HG LEU 37 0.710 4.177 -3.693
297 HD11 LEU 37 HD11 LEU 37 -0.603 6.880 -3.717
298 HD12 LEU 37 HD12 LEU 37 -0.823 5.601 -4.911
299 HD13 LEU 37 HD13 LEU 37 0.757 6.365 -4.724
300 HD21 LEU 37 HD21 LEU 37 0.806 6.386 -1.646
301 HD22 LEU 37 HD22 LEU 37 2.120 5.902 -2.713
302 HD23 LEU 37 HD23 LEU 37 1.537 4.794 -1.479
303 H ARG 38 H ARG 38 -4.071 5.113 -2.372
304 HA ARG 38 HA ARG 38 -4.168 7.501 -3.899
305 HB2 ARG 38 HB2 ARG 38 -6.406 5.719 -2.953
306 HB3 ARG 38 HB1 ARG 38 -6.602 7.051 -4.082
307 HG2 ARG 38 HG2 ARG 38 -4.976 4.548 -4.520
308 HG3 ARG 38 HG1 ARG 38 -6.519 4.953 -5.273
309 HD2 ARG 38 HD2 ARG 38 -3.894 6.398 -5.642
310 HD3 ARG 38 HD1 ARG 38 -4.712 5.375 -6.817
311 HE ARG 38 HE ARG 38 -6.508 7.334 -6.141
312 HH11 ARG 38 HH11 ARG 38 -3.310 7.205 -7.662
313 HH12 ARG 38 HH12 ARG 38 -3.533 8.620 -8.581
314 HH21 ARG 38 HH21 ARG 38 -6.779 9.313 -7.373
315 HH22 ARG 38 HH22 ARG 38 -5.520 9.841 -8.401
316 H GLU 39 H GLU 39 -5.129 6.694 -0.656
317 HA GLU 39 HA GLU 39 -6.439 9.109 -0.054
318 HB2 GLU 39 HB2 GLU 39 -4.871 7.268 1.753
319 HB3 GLU 39 HB1 GLU 39 -5.893 8.581 2.316
320 HG2 GLU 39 HG2 GLU 39 -7.844 7.485 1.345
321 HG3 GLU 39 HG1 GLU 39 -6.815 6.175 0.761
322 H ARG 40 H ARG 40 -3.065 8.175 -0.068
323 HA ARG 40 HA ARG 40 -2.052 10.601 1.040
324 HB2 ARG 40 HB2 ARG 40 -0.662 8.684 -0.848
325 HB3 ARG 40 HB1 ARG 40 0.123 9.944 0.080
326 HG2 ARG 40 HG2 ARG 40 -1.246 7.502 1.185
327 HG3 ARG 40 HG1 ARG 40 0.489 7.767 1.073
328 HD2 ARG 40 HD2 ARG 40 0.197 9.748 2.579
329 HD3 ARG 40 HD1 ARG 40 -1.488 9.265 2.788
330 HE ARG 40 HE ARG 40 0.183 7.082 3.302
331 HH11 ARG 40 HH11 ARG 40 -0.966 10.060 4.861
332 HH12 ARG 40 HH12 ARG 40 -0.470 9.572 6.412
333 HH21 ARG 40 HH21 ARG 40 0.920 6.481 5.425
334 HH22 ARG 40 HH22 ARG 40 0.599 7.508 6.749
335 H GLU 41 H GLU 41 -2.966 9.577 -2.141
336 HA GLU 41 HA GLU 41 -1.915 11.774 -3.605
337 HB2 GLU 41 HB2 GLU 41 -4.174 9.865 -4.186
338 HB3 GLU 41 HB1 GLU 41 -3.611 11.077 -5.327
339 HG2 GLU 41 HG2 GLU 41 -1.914 8.885 -4.171
340 HG3 GLU 41 HG1 GLU 41 -2.694 8.841 -5.757
341 H GLY 42 H GLY 42 -5.014 11.130 -2.104
342 HA2 GLY 42 HA2 GLY 42 -6.174 13.571 -3.032
343 HA3 GLY 42 HA1 GLY 42 -6.882 12.454 -1.881
344 H ARG 43 H ARG 43 -5.171 12.440 0.208
345 HA ARG 43 HA ARG 43 -5.866 14.884 1.461
346 HB2 ARG 43 HB2 ARG 43 -3.939 12.790 2.506
347 HB3 ARG 43 HB1 ARG 43 -4.716 14.049 3.450
348 HG2 ARG 43 HG2 ARG 43 -6.912 12.999 2.964
349 HG3 ARG 43 HG1 ARG 43 -6.067 11.701 2.120
350 HD2 ARG 43 HD2 ARG 43 -4.781 11.325 4.285
351 HD3 ARG 43 HD1 ARG 43 -5.945 12.402 5.052
352 HE ARG 43 HE ARG 43 -7.024 10.139 3.581
353 HH11 ARG 43 HH11 ARG 43 -6.480 11.597 6.778
354 HH12 ARG 43 HH12 ARG 43 -7.127 10.286 7.639
355 HH21 ARG 43 HH21 ARG 43 -7.887 8.272 4.820
356 HH22 ARG 43 HH22 ARG 43 -7.962 8.384 6.506
357 H ARG 44 H ARG 44 -2.859 13.701 0.075
358 HA ARG 44 HA ARG 44 -1.563 16.162 0.950
359 HB2 ARG 44 HB2 ARG 44 -0.359 13.668 -0.251
360 HB3 ARG 44 HB1 ARG 44 0.542 15.090 0.248
361 HG2 ARG 44 HG2 ARG 44 -0.138 14.732 2.545
362 HG3 ARG 44 HG1 ARG 44 -1.077 13.318 2.060
363 HD2 ARG 44 HD2 ARG 44 0.958 12.241 1.254
364 HD3 ARG 44 HD1 ARG 44 1.901 13.652 1.728
365 HE ARG 44 HE ARG 44 0.545 12.828 3.971
366 HH11 ARG 44 HH11 ARG 44 2.996 11.522 1.813
367 HH12 ARG 44 HH12 ARG 44 3.724 10.487 2.942
368 HH21 ARG 44 HH21 ARG 44 1.529 11.419 5.607
369 HH22 ARG 44 HH22 ARG 44 2.839 10.423 5.187
370 H GLU 45 H GLU 45 -1.885 17.729 -0.403
371 HA GLU 45 HA GLU 45 -2.049 17.275 -3.250
372 HB2 GLU 45 HB2 GLU 45 -2.087 19.841 -1.640
373 HB3 GLU 45 HB1 GLU 45 -2.438 19.719 -3.353
374 HG2 GLU 45 HG2 GLU 45 -4.396 18.355 -2.874
375 HG3 GLU 45 HG1 GLU 45 -4.034 18.432 -1.151
376 H VAL 46 H VAL 46 -0.112 16.753 -4.072
377 HA VAL 46 HA VAL 46 2.131 18.492 -3.353
378 HB VAL 46 HB VAL 46 2.436 15.556 -4.040
379 HG11 VAL 46 HG11 VAL 46 4.400 16.871 -4.572
380 HG12 VAL 46 HG12 VAL 46 4.731 15.825 -3.191
381 HG13 VAL 46 3HG1 VAL 46 4.423 17.541 -2.941
382 HG21 VAL 46 HG21 VAL 46 2.949 15.168 -1.660
383 HG22 VAL 46 HG22 VAL 46 1.295 15.734 -1.896
384 HG23 VAL 46 HG23 VAL 46 2.531 16.845 -1.309
385 H ASP 47 H ASP 47 1.169 19.625 -5.175
386 HA ASP 47 HA ASP 47 2.671 18.948 -7.548
387 HB2 ASP 47 HB2 ASP 47 -0.306 19.453 -7.533
388 HB3 ASP 47 HB1 ASP 47 0.668 19.875 -8.930
Start of MODEL 20
1 H2 PRO 1 HT1 PRO 1 14.727 8.025 1.169
2 H3 PRO 1 HT2 PRO 1 16.172 7.442 0.717
3 HA PRO 1 HA PRO 1 15.868 5.605 1.657
4 HB2 PRO 1 HB2 PRO 1 14.302 6.005 3.946
5 HB3 PRO 1 HB1 PRO 1 16.040 5.705 3.897
6 HG2 PRO 1 HG2 PRO 1 14.592 8.286 4.130
7 HG3 PRO 1 HG1 PRO 1 16.191 7.835 4.748
8 HD2 PRO 1 HD2 PRO 1 15.895 9.445 2.607
9 HD3 PRO 1 HD1 PRO 1 17.236 8.291 2.726
10 H ARG 2 H ARG 2 13.810 4.265 2.339
11 HA ARG 2 HA ARG 2 11.797 5.123 0.464
12 HB2 ARG 2 HB2 ARG 2 12.150 2.505 1.905
13 HB3 ARG 2 HB1 ARG 2 10.905 2.854 0.714
14 HG2 ARG 2 HG2 ARG 2 12.597 3.228 -0.973
15 HG3 ARG 2 HG1 ARG 2 13.863 2.872 0.208
16 HD2 ARG 2 HD2 ARG 2 13.377 0.931 -1.166
17 HD3 ARG 2 HD1 ARG 2 12.929 0.655 0.518
18 HE ARG 2 HE ARG 2 10.803 1.637 -1.153
19 HH11 ARG 2 HH11 ARG 2 12.328 -1.209 0.304
20 HH12 ARG 2 HH12 ARG 2 11.064 -2.267 -0.114
21 HH21 ARG 2 HH21 ARG 2 9.061 0.178 -1.715
22 HH22 ARG 2 HH22 ARG 2 9.180 -1.477 -1.290
23 H GLY 3 H GLY 3 10.700 6.594 1.409
24 HA2 GLY 3 HA2 GLY 3 8.782 5.731 3.467
25 HA3 GLY 3 HA1 GLY 3 9.709 7.199 3.790
26 H SER 4 H SER 4 9.139 6.624 0.568
27 HA SER 4 HA SER 4 7.453 8.934 0.374
28 HB2 SER 4 HB2 SER 4 8.611 7.168 -1.789
29 HB3 SER 4 HB1 SER 4 8.044 8.836 -1.942
30 HG SER 4 HG SER 4 9.712 9.501 -0.632
31 HA PRO 5 HA PRO 5 3.538 7.019 0.231
32 HB2 PRO 5 HB2 PRO 5 2.555 8.056 -2.196
33 HB3 PRO 5 HB1 PRO 5 2.383 8.769 -0.590
34 HG2 PRO 5 HG2 PRO 5 4.371 9.365 -2.732
35 HG3 PRO 5 HG1 PRO 5 3.607 10.466 -1.573
36 HD2 PRO 5 HD2 PRO 5 6.129 9.697 -1.261
37 HD3 PRO 5 HD1 PRO 5 5.059 9.848 0.145
38 H ARG 6 H ARG 6 4.950 6.902 -3.059
39 HA ARG 6 HA ARG 6 3.221 4.716 -3.756
40 HB2 ARG 6 HB2 ARG 6 5.585 5.767 -5.339
41 HB3 ARG 6 HB1 ARG 6 4.285 4.753 -5.934
42 HG2 ARG 6 HG2 ARG 6 3.963 7.580 -4.933
43 HG3 ARG 6 HG1 ARG 6 3.986 7.079 -6.624
44 HD2 ARG 6 HD2 ARG 6 1.950 5.853 -6.358
45 HD3 ARG 6 HD1 ARG 6 1.994 6.042 -4.611
46 HE ARG 6 HE ARG 6 1.955 8.561 -5.758
47 HH11 ARG 6 HH11 ARG 6 -0.177 5.743 -5.808
48 HH12 ARG 6 HH12 ARG 6 -1.613 6.620 -5.583
49 HH21 ARG 6 HH21 ARG 6 -0.068 9.810 -5.414
50 HH22 ARG 6 HH22 ARG 6 -1.535 8.961 -5.260
51 H THR 7 H THR 7 6.537 5.006 -2.724
52 HA THR 7 HA THR 7 7.053 2.266 -3.348
53 HB THR 7 HB THR 7 8.904 3.965 -3.331
54 HG1 THR 7 HG1 THR 7 9.850 2.108 -3.217
55 HG21 THR 7 HG21 THR 7 9.938 4.624 -1.214
56 HG22 THR 7 HG22 THR 7 8.677 3.769 -0.328
57 HG23 THR 7 HG23 THR 7 8.265 5.187 -1.286
58 H GLU 8 H GLU 8 5.956 4.010 -0.517
59 HA GLU 8 HA GLU 8 6.147 1.966 1.430
60 HB2 GLU 8 HB2 GLU 8 5.686 4.333 1.969
61 HB3 GLU 8 HB1 GLU 8 4.166 4.212 1.093
62 HG2 GLU 8 HG2 GLU 8 3.818 4.167 3.515
63 HG3 GLU 8 HG1 GLU 8 3.283 2.679 2.743
64 H TYR 9 H TYR 9 3.625 2.978 -0.774
65 HA TYR 9 HA TYR 9 1.630 1.202 -0.124
66 HB2 TYR 9 HB2 TYR 9 0.867 2.893 -1.407
67 HB3 TYR 9 HB1 TYR 9 2.345 3.014 -2.343
68 HD1 TYR 9 HD1 TYR 9 -0.907 1.381 -2.052
69 HD2 TYR 9 HD2 TYR 9 2.597 1.857 -4.320
70 HE1 TYR 9 HE1 TYR 9 -2.032 0.281 -3.968
71 HE2 TYR 9 HE2 TYR 9 1.535 0.763 -6.273
72 HH TYR 9 HH TYR 9 -0.247 -0.742 -6.730
73 H GLU 10 H GLU 10 4.328 0.831 -2.369
74 HA GLU 10 HA GLU 10 3.443 -1.694 -3.372
75 HB2 GLU 10 HB2 GLU 10 4.975 -0.064 -4.563
76 HB3 GLU 10 HB1 GLU 10 6.245 -0.565 -3.454
77 HG2 GLU 10 HG2 GLU 10 6.500 -1.750 -5.511
78 HG3 GLU 10 HG1 GLU 10 5.972 -2.886 -4.266
79 H ALA 11 H ALA 11 5.808 -0.623 -0.967
80 HA ALA 11 HA ALA 11 6.860 -3.142 -0.284
81 HB1 ALA 11 HB1 ALA 11 7.707 -2.046 1.715
82 HB2 ALA 11 HB2 ALA 11 6.644 -0.668 1.418
83 HB3 ALA 11 HB3 ALA 11 7.952 -1.032 0.293
84 H CYS 12 H CYS 12 4.035 -1.432 0.721
85 HA CYS 12 HA CYS 12 3.322 -2.829 3.024
86 HB2 CYS 12 HB2 CYS 12 2.278 -0.713 2.037
87 HB3 CYS 12 HB1 CYS 12 1.397 -1.761 0.940
88 H ARG 13 H ARG 13 2.968 -3.617 -0.374
89 HA ARG 13 HA ARG 13 1.252 -5.884 0.013
90 HB2 ARG 13 HB2 ARG 13 2.968 -5.093 -2.332
91 HB3 ARG 13 HB1 ARG 13 1.715 -6.326 -2.354
92 HG2 ARG 13 HG2 ARG 13 0.017 -4.668 -1.966
93 HG3 ARG 13 HG1 ARG 13 1.244 -3.411 -1.783
94 HD2 ARG 13 HD2 ARG 13 0.260 -3.333 -3.999
95 HD3 ARG 13 HD1 ARG 13 1.961 -3.782 -4.083
96 HE ARG 13 HE ARG 13 0.078 -5.980 -4.031
97 HH11 ARG 13 HH11 ARG 13 2.290 -4.011 -5.957
98 HH12 ARG 13 HH12 ARG 13 2.070 -4.893 -7.390
99 HH21 ARG 13 HH21 ARG 13 -0.210 -7.223 -5.981
100 HH22 ARG 13 HH22 ARG 13 0.637 -6.782 -7.390
101 H VAL 14 H VAL 14 4.679 -5.317 -0.543
102 HA VAL 14 HA VAL 14 5.541 -8.005 -0.674
103 HB VAL 14 HB VAL 14 7.096 -5.580 0.308
104 HG11 VAL 14 HG11 VAL 14 8.106 -8.221 -0.752
105 HG12 VAL 14 HG12 VAL 14 8.207 -7.665 0.918
106 HG13 VAL 14 3HG1 VAL 14 9.109 -6.827 -0.346
107 HG21 VAL 14 HG21 VAL 14 7.946 -5.442 -2.002
108 HG22 VAL 14 HG22 VAL 14 6.200 -5.210 -1.920
109 HG23 VAL 14 HG23 VAL 14 6.859 -6.752 -2.463
110 H ARG 15 H ARG 15 5.158 -5.773 1.974
111 HA ARG 15 HA ARG 15 6.090 -7.221 4.146
112 HB2 ARG 15 HB2 ARG 15 5.328 -4.865 4.150
113 HB3 ARG 15 HB1 ARG 15 3.677 -5.419 3.974
114 HG2 ARG 15 HG2 ARG 15 3.835 -6.513 6.172
115 HG3 ARG 15 HG1 ARG 15 5.478 -5.879 6.343
116 HD2 ARG 15 HD2 ARG 15 2.956 -4.262 6.010
117 HD3 ARG 15 HD1 ARG 15 3.906 -4.424 7.488
118 HE ARG 15 HE ARG 15 5.758 -3.389 6.092
119 HH11 ARG 15 HH11 ARG 15 2.336 -2.535 5.708
120 HH12 ARG 15 HH12 ARG 15 2.651 -1.006 5.051
121 HH21 ARG 15 HH21 ARG 15 6.177 -1.343 5.149
122 HH22 ARG 15 HH22 ARG 15 4.914 -0.280 4.711
123 H CYS 16 H CYS 16 2.859 -7.177 2.670
124 HA CYS 16 HA CYS 16 1.799 -9.148 4.362
125 HB2 CYS 16 HB2 CYS 16 0.895 -8.112 1.700
126 HB3 CYS 16 HB1 CYS 16 -0.025 -9.267 2.660
127 H GLN 17 H GLN 17 3.675 -9.423 1.442
128 HA GLN 17 HA GLN 17 2.986 -12.068 0.747
129 HB2 GLN 17 HB2 GLN 17 5.608 -10.598 0.412
130 HB3 GLN 17 HB1 GLN 17 5.249 -12.149 -0.324
131 HG2 GLN 17 HG2 GLN 17 3.519 -11.178 -1.651
132 HG3 GLN 17 HG1 GLN 17 3.697 -9.623 -0.832
133 HE21 GLN 17 1HE2 GLN 17 3.951 -10.267 -3.676
134 HE22 GLN 17 2HE2 GLN 17 5.539 -9.779 -4.115
135 H VAL 18 H VAL 18 5.396 -10.746 2.943
136 HA VAL 18 HA VAL 18 6.154 -13.428 3.715
137 HB VAL 18 HB VAL 18 7.944 -11.783 3.436
138 HG11 VAL 18 HG11 VAL 18 6.840 -9.755 4.097
139 HG12 VAL 18 HG12 VAL 18 8.317 -9.971 5.038
140 HG13 VAL 18 3HG1 VAL 18 6.749 -10.315 5.767
141 HG21 VAL 18 HG21 VAL 18 9.183 -12.186 5.528
142 HG22 VAL 18 HG22 VAL 18 8.368 -13.636 4.943
143 HG23 VAL 18 HG23 VAL 18 7.687 -12.725 6.291
144 H ALA 19 H ALA 19 4.331 -10.769 5.156
145 HA ALA 19 HA ALA 19 4.208 -12.098 7.713
146 HB1 ALA 19 HB1 ALA 19 2.873 -10.218 8.455
147 HB2 ALA 19 HB2 ALA 19 2.706 -9.656 6.790
148 HB3 ALA 19 HB3 ALA 19 4.287 -9.647 7.568
149 H GLU 20 H GLU 20 1.653 -11.140 5.393
150 HA GLU 20 HA GLU 20 -0.422 -12.620 6.662
151 HB2 GLU 20 HB2 GLU 20 -0.166 -11.644 3.806
152 HB3 GLU 20 HB1 GLU 20 -1.627 -12.325 4.494
153 HG2 GLU 20 HG2 GLU 20 -0.309 -9.882 5.617
154 HG3 GLU 20 HG1 GLU 20 -1.473 -9.805 4.299
155 H HIS 21 H HIS 21 1.585 -13.152 3.852
156 HA HIS 21 HA HIS 21 2.155 -14.874 2.582
157 HB2 HIS 21 HB2 HIS 21 3.006 -15.823 4.749
158 HB3 HIS 21 HB1 HIS 21 1.471 -16.663 4.940
159 HD1 HIS 21 HD1 HIS 21 1.510 -19.049 4.060
160 HD2 HIS 21 HD2 HIS 21 4.322 -16.614 2.211
161 HE1 HIS 21 HE1 HIS 21 2.850 -20.545 2.554
162 H GLY 22 H GLY 22 0.822 -14.902 0.977
163 HA2 GLY 22 HA2 GLY 22 -0.852 -16.821 0.298
164 HA3 GLY 22 HA1 GLY 22 -1.900 -15.772 1.257
165 H VAL 23 H VAL 23 -1.517 -16.405 -1.720
166 HA VAL 23 HA VAL 23 -0.572 -14.058 -2.959
167 HB VAL 23 HB VAL 23 -2.536 -16.064 -4.086
168 HG11 VAL 23 HG11 VAL 23 -2.415 -14.029 -5.403
169 HG12 VAL 23 HG12 VAL 23 -1.637 -15.360 -6.264
170 HG13 VAL 23 3HG1 VAL 23 -0.657 -14.140 -5.452
171 HG21 VAL 23 HG21 VAL 23 -0.575 -17.193 -5.027
172 HG22 VAL 23 HG22 VAL 23 -0.536 -17.181 -3.264
173 HG23 VAL 23 HG23 VAL 23 0.477 -16.063 -4.176
174 H GLU 24 H GLU 24 -3.874 -15.169 -2.296
175 HA GLU 24 HA GLU 24 -5.059 -12.785 -3.285
176 HB2 GLU 24 HB2 GLU 24 -6.268 -14.845 -1.422
177 HB3 GLU 24 HB1 GLU 24 -7.158 -13.559 -2.211
178 HG2 GLU 24 HG2 GLU 24 -7.610 -15.515 -3.440
179 HG3 GLU 24 HG1 GLU 24 -6.458 -14.604 -4.408
180 H ARG 25 H ARG 25 -3.689 -13.707 -0.324
181 HA ARG 25 HA ARG 25 -4.918 -11.659 1.267
182 HB2 ARG 25 HB2 ARG 25 -2.435 -13.304 1.796
183 HB3 ARG 25 HB1 ARG 25 -3.200 -12.233 2.966
184 HG2 ARG 25 HG2 ARG 25 -5.224 -13.572 2.904
185 HG3 ARG 25 HG1 ARG 25 -4.500 -14.625 1.690
186 HD2 ARG 25 HD2 ARG 25 -2.779 -15.289 3.291
187 HD3 ARG 25 HD1 ARG 25 -3.483 -14.212 4.497
188 HE ARG 25 HE ARG 25 -5.560 -15.752 3.837
189 HH11 ARG 25 HH11 ARG 25 -2.229 -16.677 4.690
190 HH12 ARG 25 HH12 ARG 25 -2.704 -18.100 5.494
191 HH21 ARG 25 HH21 ARG 25 -6.166 -17.741 4.902
192 HH22 ARG 25 HH22 ARG 25 -4.968 -18.722 5.609
193 H GLN 26 H GLN 26 -1.935 -11.990 -0.528
194 HA GLN 26 HA GLN 26 -0.863 -9.455 0.114
195 HB2 GLN 26 HB2 GLN 26 0.513 -11.245 -0.852
196 HB3 GLN 26 HB1 GLN 26 -0.465 -11.254 -2.298
197 HG2 GLN 26 HG2 GLN 26 1.107 -8.808 -1.526
198 HG3 GLN 26 HG1 GLN 26 1.885 -10.159 -2.331
199 HE21 GLN 26 1HE2 GLN 26 1.282 -10.655 -4.451
200 HE22 GLN 26 2HE2 GLN 26 0.494 -9.517 -5.465
201 H ARG 27 H ARG 27 -2.975 -10.634 -2.430
202 HA ARG 27 HA ARG 27 -3.263 -8.158 -3.763
203 HB2 ARG 27 HB2 ARG 27 -5.114 -10.539 -3.700
204 HB3 ARG 27 HB1 ARG 27 -5.252 -9.201 -4.831
205 HG2 ARG 27 HG2 ARG 27 -2.978 -9.745 -5.668
206 HG3 ARG 27 HG1 ARG 27 -2.966 -11.144 -4.603
207 HD2 ARG 27 HD2 ARG 27 -3.575 -11.804 -6.844
208 HD3 ARG 27 HD1 ARG 27 -4.942 -12.023 -5.755
209 HE ARG 27 HE ARG 27 -5.381 -9.566 -6.750
210 HH11 ARG 27 HH11 ARG 27 -4.621 -12.624 -8.403
211 HH12 ARG 27 HH12 ARG 27 -5.585 -12.281 -9.751
212 HH21 ARG 27 HH21 ARG 27 -6.666 -9.105 -8.621
213 HH22 ARG 27 HH22 ARG 27 -6.731 -10.212 -9.905
214 H ARG 28 H ARG 28 -4.969 -9.649 -1.106
215 HA ARG 28 HA ARG 28 -6.983 -7.755 -0.742
216 HB2 ARG 28 HB2 ARG 28 -6.934 -9.868 0.503
217 HB3 ARG 28 HB1 ARG 28 -5.461 -9.377 1.317
218 HG2 ARG 28 HG2 ARG 28 -6.610 -7.688 2.539
219 HG3 ARG 28 HG1 ARG 28 -8.087 -7.919 1.614
220 HD2 ARG 28 HD2 ARG 28 -8.334 -9.013 3.735
221 HD3 ARG 28 HD1 ARG 28 -8.192 -10.248 2.488
222 HE ARG 28 HE ARG 28 -5.751 -9.504 3.841
223 HH11 ARG 28 HH11 ARG 28 -8.398 -11.843 3.582
224 HH12 ARG 28 HH12 ARG 28 -7.694 -12.998 4.593
225 HH21 ARG 28 HH21 ARG 28 -4.769 -11.104 5.318
226 HH22 ARG 28 HH22 ARG 28 -5.615 -12.534 5.670
227 H CYS 29 H CYS 29 -3.640 -7.865 0.480
228 HA CYS 29 HA CYS 29 -3.750 -5.378 1.736
229 HB2 CYS 29 HB2 CYS 29 -1.458 -7.012 0.719
230 HB3 CYS 29 HB1 CYS 29 -1.245 -5.463 1.528
231 H GLN 30 H GLN 30 -3.080 -6.286 -1.595
232 HA GLN 30 HA GLN 30 -2.099 -3.795 -2.419
233 HB2 GLN 30 HB2 GLN 30 -2.181 -5.918 -3.849
234 HB3 GLN 30 HB1 GLN 30 -3.890 -5.610 -4.090
235 HG2 GLN 30 HG2 GLN 30 -1.715 -3.680 -4.928
236 HG3 GLN 30 HG1 GLN 30 -2.365 -4.922 -5.983
237 HE21 GLN 30 1HE2 GLN 30 -2.366 -1.945 -6.179
238 HE22 GLN 30 2HE2 GLN 30 -4.015 -1.504 -6.326
239 H GLN 31 H GLN 31 -5.405 -5.047 -2.330
240 HA GLN 31 HA GLN 31 -6.791 -2.740 -3.061
241 HB2 GLN 31 HB2 GLN 31 -7.847 -4.949 -2.828
242 HB3 GLN 31 HB1 GLN 31 -7.607 -4.879 -1.090
243 HG2 GLN 31 HG2 GLN 31 -9.070 -2.845 -1.050
244 HG3 GLN 31 HG1 GLN 31 -9.405 -3.136 -2.753
245 HE21 GLN 31 1HE2 GLN 31 -9.035 -5.698 -0.401
246 HE22 GLN 31 2HE2 GLN 31 -10.675 -6.201 -0.405
247 H VAL 32 H VAL 32 -6.018 -3.913 0.200
248 HA VAL 32 HA VAL 32 -7.126 -1.757 1.605
249 HB VAL 32 HB VAL 32 -5.004 -3.736 2.495
250 HG11 VAL 32 HG11 VAL 32 -4.889 -1.731 3.891
251 HG12 VAL 32 HG12 VAL 32 -5.575 -3.084 4.796
252 HG13 VAL 32 3HG1 VAL 32 -6.628 -1.819 4.163
253 HG21 VAL 32 HG21 VAL 32 -6.872 -4.815 3.666
254 HG22 VAL 32 HG22 VAL 32 -7.150 -4.748 1.925
255 HG23 VAL 32 HG23 VAL 32 -7.980 -3.618 2.994
256 H CYS 33 H CYS 33 -3.675 -2.328 0.791
257 HA CYS 33 HA CYS 33 -2.834 0.056 2.052
258 HB2 CYS 33 HB2 CYS 33 -1.382 -1.533 -0.087
259 HB3 CYS 33 HB1 CYS 33 -0.655 -0.363 1.014
260 H GLU 34 H GLU 34 -4.024 -0.673 -1.147
261 HA GLU 34 HA GLU 34 -3.239 1.722 -2.417
262 HB2 GLU 34 HB2 GLU 34 -4.088 -0.330 -3.570
263 HB3 GLU 34 HB1 GLU 34 -5.674 0.008 -2.916
264 HG2 GLU 34 HG2 GLU 34 -5.731 2.104 -4.177
265 HG3 GLU 34 HG1 GLU 34 -4.150 1.714 -4.860
266 H LYS 35 H LYS 35 -6.107 0.728 -0.589
267 HA LYS 35 HA LYS 35 -7.525 3.166 -0.847
268 HB2 LYS 35 HB2 LYS 35 -7.715 1.049 1.295
269 HB3 LYS 35 HB1 LYS 35 -8.833 2.392 1.107
270 HG2 LYS 35 HG2 LYS 35 -9.432 1.518 -1.135
271 HG3 LYS 35 HG1 LYS 35 -8.355 0.153 -0.836
272 HD2 LYS 35 HD2 LYS 35 -10.643 -0.481 -0.375
273 HD3 LYS 35 HD1 LYS 35 -9.699 -0.472 1.115
274 HE2 LYS 35 HE2 LYS 35 -10.619 1.724 1.687
275 HE3 LYS 35 HE1 LYS 35 -11.546 1.737 0.187
276 HZ1 LYS 35 HZ1 LYS 35 -12.731 -0.231 1.003
277 HZ2 LYS 35 HZ2 LYS 35 -12.916 1.100 2.018
278 HZ3 LYS 35 HZ3 LYS 35 -11.874 -0.134 2.467
279 H ARG 36 H ARG 36 -5.376 1.879 1.614
280 HA ARG 36 HA ARG 36 -5.543 3.998 3.419
281 HB2 ARG 36 HB2 ARG 36 -3.238 2.135 2.883
282 HB3 ARG 36 HB1 ARG 36 -3.305 3.253 4.233
283 HG2 ARG 36 HG2 ARG 36 -5.334 2.097 5.045
284 HG3 ARG 36 HG1 ARG 36 -5.161 0.937 3.725
285 HD2 ARG 36 HD2 ARG 36 -4.219 0.089 5.817
286 HD3 ARG 36 HD1 ARG 36 -2.980 0.286 4.570
287 HE ARG 36 HE ARG 36 -3.104 2.635 6.051
288 HH11 ARG 36 HH11 ARG 36 -2.130 -0.732 6.640
289 HH12 ARG 36 HH12 ARG 36 -1.002 -0.325 7.830
290 HH21 ARG 36 HH21 ARG 36 -1.542 3.180 7.614
291 HH22 ARG 36 HH22 ARG 36 -0.627 1.960 8.392
292 H LEU 37 H LEU 37 -3.348 3.465 0.717
293 HA LEU 37 HA LEU 37 -1.855 5.820 1.079
294 HB2 LEU 37 HB2 LEU 37 -1.257 3.729 -0.265
295 HB3 LEU 37 HB1 LEU 37 -2.319 4.325 -1.511
296 HG LEU 37 HG LEU 37 0.122 4.690 -1.938
297 HD11 LEU 37 HD11 LEU 37 -0.039 6.982 -2.699
298 HD12 LEU 37 HD12 LEU 37 -1.542 7.177 -1.781
299 HD13 LEU 37 HD13 LEU 37 -1.452 6.016 -3.112
300 HD21 LEU 37 HD21 LEU 37 0.784 5.133 0.349
301 HD22 LEU 37 HD22 LEU 37 -0.100 6.668 0.321
302 HD23 LEU 37 HD23 LEU 37 1.290 6.421 -0.738
303 H ARG 38 H ARG 38 -4.721 5.011 -0.802
304 HA ARG 38 HA ARG 38 -5.074 7.401 -2.180
305 HB2 ARG 38 HB2 ARG 38 -6.307 5.340 -2.674
306 HB3 ARG 38 HB1 ARG 38 -7.144 5.474 -1.142
307 HG2 ARG 38 HG2 ARG 38 -8.272 7.469 -1.882
308 HG3 ARG 38 HG1 ARG 38 -7.358 7.463 -3.391
309 HD2 ARG 38 HD2 ARG 38 -9.243 5.305 -2.464
310 HD3 ARG 38 HD1 ARG 38 -9.611 6.521 -3.682
311 HE ARG 38 HE ARG 38 -7.741 5.553 -4.975
312 HH11 ARG 38 HH11 ARG 38 -9.441 3.495 -2.598
313 HH12 ARG 38 HH12 ARG 38 -9.106 2.042 -3.421
314 HH21 ARG 38 HH21 ARG 38 -7.290 3.509 -6.098
315 HH22 ARG 38 HH22 ARG 38 -7.824 2.052 -5.434
316 H GLU 39 H GLU 39 -6.213 6.442 1.014
317 HA GLU 39 HA GLU 39 -7.453 8.957 1.405
318 HB2 GLU 39 HB2 GLU 39 -6.747 6.829 3.425
319 HB3 GLU 39 HB1 GLU 39 -7.729 8.248 3.764
320 HG2 GLU 39 HG2 GLU 39 -9.317 7.480 1.993
321 HG3 GLU 39 HG1 GLU 39 -8.380 5.993 1.884
322 H ARG 40 H ARG 40 -4.298 7.660 2.136
323 HA ARG 40 HA ARG 40 -3.414 9.750 3.801
324 HB2 ARG 40 HB2 ARG 40 -2.152 7.612 3.507
325 HB3 ARG 40 HB1 ARG 40 -1.745 8.104 1.873
326 HG2 ARG 40 HG2 ARG 40 -0.512 10.035 2.768
327 HG3 ARG 40 HG1 ARG 40 -0.900 9.509 4.403
328 HD2 ARG 40 HD2 ARG 40 0.701 7.929 2.382
329 HD3 ARG 40 HD1 ARG 40 1.379 8.861 3.712
330 HE ARG 40 HE ARG 40 -0.517 6.930 4.601
331 HH11 ARG 40 HH11 ARG 40 2.903 7.344 3.674
332 HH12 ARG 40 HH12 ARG 40 3.451 5.967 4.466
333 HH21 ARG 40 HH21 ARG 40 0.254 5.001 5.724
334 HH22 ARG 40 HH22 ARG 40 1.888 4.588 5.687
335 H GLU 41 H GLU 41 -3.328 9.380 0.262
336 HA GLU 41 HA GLU 41 -2.133 11.962 -0.030
337 HB2 GLU 41 HB2 GLU 41 -2.363 11.700 -2.432
338 HB3 GLU 41 HB1 GLU 41 -1.733 10.217 -1.750
339 HG2 GLU 41 HG2 GLU 41 -3.733 9.061 -2.124
340 HG3 GLU 41 HG1 GLU 41 -4.658 10.545 -2.326
341 H GLY 42 H GLY 42 -5.380 10.673 -0.163
342 HA2 GLY 42 HA2 GLY 42 -6.595 12.905 -1.398
343 HA3 GLY 42 HA1 GLY 42 -7.408 11.593 -0.571
344 H ARG 43 H ARG 43 -6.150 12.069 2.003
345 HA ARG 43 HA ARG 43 -7.944 14.129 2.866
346 HB2 ARG 43 HB2 ARG 43 -5.836 12.626 4.416
347 HB3 ARG 43 HB1 ARG 43 -7.045 13.683 5.133
348 HG2 ARG 43 HG2 ARG 43 -8.821 12.233 4.393
349 HG3 ARG 43 HG1 ARG 43 -7.667 11.217 3.527
350 HD2 ARG 43 HD2 ARG 43 -6.555 10.744 5.693
351 HD3 ARG 43 HD1 ARG 43 -7.847 11.638 6.499
352 HE ARG 43 HE ARG 43 -9.030 9.743 4.880
353 HH11 ARG 43 HH11 ARG 43 -6.963 9.808 7.726
354 HH12 ARG 43 HH12 ARG 43 -7.511 8.323 8.344
355 HH21 ARG 43 HH21 ARG 43 -9.761 7.650 5.692
356 HH22 ARG 43 HH22 ARG 43 -9.154 7.064 7.163
357 H ARG 44 H ARG 44 -4.743 14.070 1.867
358 HA ARG 44 HA ARG 44 -4.092 16.633 3.094
359 HB2 ARG 44 HB2 ARG 44 -2.447 14.806 1.327
360 HB3 ARG 44 HB1 ARG 44 -1.865 16.294 2.062
361 HG2 ARG 44 HG2 ARG 44 -2.210 15.343 4.283
362 HG3 ARG 44 HG1 ARG 44 -2.819 13.859 3.553
363 HD2 ARG 44 HD2 ARG 44 -0.665 13.485 2.481
364 HD3 ARG 44 HD1 ARG 44 -0.057 14.997 3.157
365 HE ARG 44 HE ARG 44 -0.840 13.674 5.334
366 HH11 ARG 44 HH11 ARG 44 1.250 12.716 2.641
367 HH12 ARG 44 HH12 ARG 44 2.209 11.645 3.548
368 HH21 ARG 44 HH21 ARG 44 0.522 12.209 6.612
369 HH22 ARG 44 HH22 ARG 44 1.805 11.371 5.878
370 H GLU 45 H GLU 45 -4.552 15.155 -0.075
371 HA GLU 45 HA GLU 45 -4.753 17.810 -1.315
372 HB2 GLU 45 HB2 GLU 45 -2.947 16.335 -2.157
373 HB3 GLU 45 HB1 GLU 45 -4.138 15.099 -2.510
374 HG2 GLU 45 HG2 GLU 45 -5.160 16.632 -4.157
375 HG3 GLU 45 HG1 GLU 45 -3.861 17.782 -3.836
376 H VAL 46 H VAL 46 -6.920 18.223 -1.070
377 HA VAL 46 HA VAL 46 -8.765 16.167 -2.019
378 HB VAL 46 HB VAL 46 -8.841 16.247 0.435
379 HG11 VAL 46 HG11 VAL 46 -8.086 18.478 0.870
380 HG12 VAL 46 HG12 VAL 46 -9.673 18.257 1.618
381 HG13 VAL 46 3HG1 VAL 46 -9.524 19.154 0.110
382 HG21 VAL 46 HG21 VAL 46 -11.311 17.456 -0.816
383 HG22 VAL 46 HG22 VAL 46 -11.254 16.645 0.748
384 HG23 VAL 46 HG23 VAL 46 -10.930 15.737 -0.727
385 H ASP 47 H ASP 47 -10.308 16.847 -3.385
386 HA ASP 47 HA ASP 47 -10.665 19.726 -3.678
387 HB2 ASP 47 HB2 ASP 47 -9.484 18.785 -5.664
388 HB3 ASP 47 HB1 ASP 47 -10.830 17.672 -5.901