Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3888 | 1ed0 RC | 4587 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1H LYS 1 0.856 -0.419 0.123
2 2H LYS 1 2H LYS 1 1.472 0.766 1.092
3 3H LYS 1 3H LYS 1 0.486 1.156 -0.165
4 HA LYS 1 HA LYS 1 3.109 -0.121 -0.384
5 1HB LYS 1 1HB LYS 1 3.012 0.232 -2.737
6 2HB LYS 1 2HB LYS 1 1.561 -0.634 -2.241
7 1HG LYS 1 1HG LYS 1 0.207 1.399 -2.447
8 2HG LYS 1 2HG LYS 1 1.647 2.376 -2.719
9 1HD LYS 1 1HD LYS 1 2.121 0.975 -4.803
10 2HD LYS 1 2HD LYS 1 0.537 0.231 -4.549
11 1HE LYS 1 1HE LYS 1 0.131 1.946 -6.123
12 2HE LYS 1 2HE LYS 1 -0.420 2.633 -4.589
13 1HZ LYS 1 1HZ LYS 1 2.105 3.195 -6.011
14 2HZ LYS 1 2HZ LYS 1 0.861 4.224 -5.738
15 3HZ LYS 1 3HZ LYS 1 1.808 3.713 -4.485
16 H SER 2 H SER 2 4.431 1.500 -2.027
17 HA SER 2 HA SER 2 4.877 3.931 -0.497
18 1HB SER 2 1HB SER 2 6.731 4.227 -2.204
19 2HB SER 2 2HB SER 2 6.818 2.742 -1.238
20 HG SER 2 HG SER 2 7.085 2.025 -3.232
21 H CYS 3 H CYS 3 4.699 6.006 -1.295
22 HA CYS 3 HA CYS 3 2.559 6.420 -3.330
23 1HB CYS 3 1HB CYS 3 2.801 7.261 -0.403
24 2HB CYS 3 2HB CYS 3 1.650 7.960 -1.511
25 H CYS 4 H CYS 4 3.587 7.595 -4.836
26 HA CYS 4 HA CYS 4 5.395 9.807 -3.996
27 1HB CYS 4 1HB CYS 4 5.396 8.065 -6.470
28 2HB CYS 4 2HB CYS 4 6.449 9.433 -6.230
29 HA PRO 5 HA PRO 5 2.535 12.576 -5.888
30 1HB PRO 5 1HB PRO 5 4.133 14.670 -6.604
31 2HB PRO 5 2HB PRO 5 3.734 14.267 -4.918
32 1HG PRO 5 1HG PRO 5 6.220 13.480 -6.461
33 2HG PRO 5 2HG PRO 5 6.127 14.213 -4.832
34 1HD PRO 5 1HD PRO 5 6.418 11.551 -5.141
35 2HD PRO 5 2HD PRO 5 5.325 12.189 -3.876
36 H ASN 6 H ASN 6 5.440 11.763 -7.823
37 HA ASN 6 HA ASN 6 3.839 11.958 -10.322
38 1HB ASN 6 1HB ASN 6 6.419 13.487 -9.770
39 2HB ASN 6 2HB ASN 6 5.699 13.281 -11.369
40 1HD2 ASN 6 1HD2 ASN 6 4.233 16.125 -8.868
41 2HD2 ASN 6 2HD2 ASN 6 5.599 15.110 -8.446
42 H THR 7 H THR 7 5.068 11.238 -12.182
43 HA THR 7 HA THR 7 6.157 8.630 -11.805
44 HB THR 7 HB THR 7 6.361 10.458 -14.239
45 HG1 THR 7 HG1 THR 7 4.451 9.349 -14.842
46 1HG2 THR 7 1HG2 THR 7 7.814 8.451 -14.390
47 2HG2 THR 7 2HG2 THR 7 6.438 7.415 -13.956
48 3HG2 THR 7 3HG2 THR 7 6.433 8.312 -15.489
49 H THR 8 H THR 8 7.647 11.854 -12.465
50 HA THR 8 HA THR 8 10.308 10.976 -12.658
51 HB THR 8 HB THR 8 9.515 13.664 -11.535
52 HG1 THR 8 HG1 THR 8 9.184 14.254 -13.724
53 1HG2 THR 8 1HG2 THR 8 11.943 13.111 -11.824
54 2HG2 THR 8 2HG2 THR 8 11.637 12.718 -13.530
55 3HG2 THR 8 3HG2 THR 8 11.423 14.382 -12.951
56 H GLY 9 H GLY 9 8.307 11.709 -9.837
57 1HA GLY 9 1HA GLY 9 10.431 11.656 -7.875
58 2HA GLY 9 2HA GLY 9 8.692 11.545 -7.583
59 H ARG 10 H ARG 10 7.974 9.283 -9.052
60 HA ARG 10 HA ARG 10 8.769 7.023 -7.529
61 1HB ARG 10 1HB ARG 10 6.672 7.239 -8.744
62 2HB ARG 10 2HB ARG 10 7.515 7.373 -10.282
63 1HG ARG 10 1HG ARG 10 6.531 5.149 -9.920
64 2HG ARG 10 2HG ARG 10 8.274 5.123 -10.204
65 1HD ARG 10 1HD ARG 10 7.671 3.594 -8.454
66 2HD ARG 10 2HD ARG 10 8.677 4.864 -7.762
67 HE ARG 10 HE ARG 10 6.024 5.668 -7.352
68 1HH1 ARG 10 1HH1 ARG 10 4.894 5.173 -5.380
69 2HH1 ARG 10 2HH1 ARG 10 5.435 3.835 -4.388
70 1HH2 ARG 10 1HH2 ARG 10 8.076 2.884 -6.491
71 2HH2 ARG 10 2HH2 ARG 10 7.177 2.539 -5.031
72 H ASN 11 H ASN 11 10.073 8.446 -10.539
73 HA ASN 11 HA ASN 11 11.842 6.246 -11.097
74 1HB ASN 11 1HB ASN 11 12.117 9.166 -11.915
75 2HB ASN 11 2HB ASN 11 12.992 7.799 -12.594
76 1HD2 ASN 11 1HD2 ASN 11 10.003 8.844 -14.709
77 2HD2 ASN 11 2HD2 ASN 11 11.334 9.714 -13.988
78 H ILE 12 H ILE 12 12.341 9.422 -9.371
79 HA ILE 12 HA ILE 12 15.108 8.846 -8.984
80 HB ILE 12 HB ILE 12 13.708 11.106 -8.834
81 1HG1 ILE 12 1HG1 ILE 12 16.071 11.075 -9.053
82 2HG1 ILE 12 2HG1 ILE 12 15.666 12.131 -7.700
83 1HG2 ILE 12 1HG2 ILE 12 14.017 10.426 -5.883
84 2HG2 ILE 12 2HG2 ILE 12 13.565 11.985 -6.587
85 3HG2 ILE 12 3HG2 ILE 12 12.498 10.596 -6.785
86 1HD1 ILE 12 1HD1 ILE 12 16.226 10.147 -6.144
87 2HD1 ILE 12 2HD1 ILE 12 16.868 9.330 -7.585
88 3HD1 ILE 12 3HD1 ILE 12 17.582 10.844 -7.044
89 H TYR 13 H TYR 13 12.216 8.485 -6.893
90 HA TYR 13 HA TYR 13 13.322 7.451 -4.589
91 1HB TYR 13 1HB TYR 13 10.957 8.036 -4.915
92 2HB TYR 13 2HB TYR 13 10.771 6.772 -6.117
93 HD1 TYR 13 HD1 TYR 13 9.717 4.806 -5.435
94 HD2 TYR 13 HD2 TYR 13 11.779 7.227 -2.539
95 HE1 TYR 13 HE1 TYR 13 8.849 3.376 -3.622
96 HE2 TYR 13 HE2 TYR 13 10.922 5.792 -0.719
97 HH TYR 13 HH TYR 13 9.878 3.803 -0.213
98 H ASN 14 H ASN 14 12.415 5.801 -7.626
99 HA ASN 14 HA ASN 14 13.187 3.254 -6.727
100 1HB ASN 14 1HB ASN 14 12.644 4.489 -9.461
101 2HB ASN 14 2HB ASN 14 13.165 2.831 -9.342
102 1HD2 ASN 14 1HD2 ASN 14 9.365 3.157 -9.391
103 2HD2 ASN 14 2HD2 ASN 14 10.582 4.059 -10.263
104 H ALA 15 H ALA 15 14.991 5.788 -8.367
105 HA ALA 15 HA ALA 15 17.227 4.091 -9.095
106 1HB ALA 15 1HB ALA 15 16.739 6.201 -10.279
107 2HB ALA 15 2HB ALA 15 17.063 7.122 -8.794
108 3HB ALA 15 3HB ALA 15 18.372 6.217 -9.582
109 H CYS 16 H CYS 16 16.429 6.193 -6.333
110 HA CYS 16 HA CYS 16 18.870 5.969 -4.892
111 1HB CYS 16 1HB CYS 16 17.021 7.572 -4.409
112 2HB CYS 16 2HB CYS 16 15.999 6.248 -3.948
113 H ARG 17 H ARG 17 15.775 4.071 -4.644
114 HA ARG 17 HA ARG 17 16.660 2.129 -2.881
115 1HB ARG 17 1HB ARG 17 14.679 1.985 -5.181
116 2HB ARG 17 2HB ARG 17 14.798 0.754 -3.925
117 1HG ARG 17 1HG ARG 17 14.463 3.618 -2.993
118 2HG ARG 17 2HG ARG 17 13.089 2.847 -3.797
119 1HD ARG 17 1HD ARG 17 13.046 2.595 -1.354
120 2HD ARG 17 2HD ARG 17 13.076 1.050 -2.241
121 HE ARG 17 HE ARG 17 15.625 2.178 -1.216
122 1HH1 ARG 17 1HH1 ARG 17 16.782 0.893 0.246
123 2HH1 ARG 17 2HH1 ARG 17 15.969 -0.430 1.058
124 1HH2 ARG 17 1HH2 ARG 17 12.923 -0.076 -0.608
125 2HH2 ARG 17 2HH2 ARG 17 13.837 -1.023 0.534
126 H LEU 18 H LEU 18 16.868 2.004 -6.501
127 HA LEU 18 HA LEU 18 17.846 -0.631 -6.529
128 1HB LEU 18 1HB LEU 18 17.913 -0.479 -8.776
129 2HB LEU 18 2HB LEU 18 16.732 0.728 -8.358
130 HG LEU 18 HG LEU 18 18.717 2.414 -8.673
131 1HD1 LEU 18 1HD1 LEU 18 20.350 1.663 -10.405
132 2HD1 LEU 18 2HD1 LEU 18 20.622 0.825 -8.885
133 3HD1 LEU 18 3HD1 LEU 18 19.783 -0.004 -10.207
134 1HD2 LEU 18 1HD2 LEU 18 17.594 0.860 -11.044
135 2HD2 LEU 18 2HD2 LEU 18 16.723 2.135 -10.177
136 3HD2 LEU 18 3HD2 LEU 18 18.200 2.529 -11.074
137 H THR 19 H THR 19 19.541 2.463 -6.295
138 HA THR 19 HA THR 19 22.190 1.191 -6.292
139 HB THR 19 HB THR 19 23.009 3.446 -5.730
140 HG1 THR 19 HG1 THR 19 20.275 4.183 -5.894
141 1HG2 THR 19 1HG2 THR 19 22.734 2.791 -8.081
142 2HG2 THR 19 2HG2 THR 19 21.068 3.402 -8.079
143 3HG2 THR 19 3HG2 THR 19 22.423 4.520 -7.842
144 H GLY 20 H GLY 20 20.089 0.294 -4.289
145 1HA GLY 20 1HA GLY 20 20.224 -0.699 -2.291
146 2HA GLY 20 2HA GLY 20 21.970 -0.435 -2.360
147 H ALA 21 H ALA 21 19.788 2.353 -2.358
148 HA ALA 21 HA ALA 21 20.847 3.115 0.300
149 1HB ALA 21 1HB ALA 21 21.064 4.735 -1.473
150 2HB ALA 21 2HB ALA 21 19.323 4.669 -1.783
151 3HB ALA 21 3HB ALA 21 19.920 5.344 -0.257
152 HA PRO 22 HA PRO 22 17.302 1.742 2.340
153 1HB PRO 22 1HB PRO 22 17.141 3.300 4.598
154 2HB PRO 22 2HB PRO 22 18.438 2.115 4.280
155 1HG PRO 22 1HG PRO 22 18.491 5.089 3.737
156 2HG PRO 22 2HG PRO 22 19.711 4.123 4.616
157 1HD PRO 22 1HD PRO 22 20.042 4.731 2.004
158 2HD PRO 22 2HD PRO 22 20.454 3.094 2.600
159 H ARG 23 H ARG 23 15.093 1.973 2.741
160 HA ARG 23 HA ARG 23 13.726 3.388 0.885
161 1HB ARG 23 1HB ARG 23 13.160 1.298 2.106
162 2HB ARG 23 2HB ARG 23 12.626 2.263 3.479
163 1HG ARG 23 1HG ARG 23 10.879 3.308 2.082
164 2HG ARG 23 2HG ARG 23 11.495 2.448 0.645
165 1HD ARG 23 1HD ARG 23 11.089 0.284 1.727
166 2HD ARG 23 2HD ARG 23 10.570 1.112 3.203
167 HE ARG 23 HE ARG 23 9.013 1.944 0.907
168 1HH1 ARG 23 1HH1 ARG 23 6.888 1.133 0.569
169 2HH1 ARG 23 2HH1 ARG 23 6.341 -0.279 1.434
170 1HH2 ARG 23 1HH2 ARG 23 9.375 -0.766 3.173
171 2HH2 ARG 23 2HH2 ARG 23 7.759 -1.366 2.914
172 HA PRO 24 HA PRO 24 12.003 6.567 4.039
173 1HB PRO 24 1HB PRO 24 13.505 7.289 6.239
174 2HB PRO 24 2HB PRO 24 12.245 6.024 6.241
175 1HG PRO 24 1HG PRO 24 15.231 5.642 5.893
176 2HG PRO 24 2HG PRO 24 14.135 4.775 7.010
177 1HD PRO 24 1HD PRO 24 14.800 3.673 4.682
178 2HD PRO 24 2HD PRO 24 13.099 3.607 5.218
179 H THR 25 H THR 25 15.619 6.473 3.867
180 HA THR 25 HA THR 25 15.990 9.254 3.526
181 HB THR 25 HB THR 25 17.668 6.955 2.431
182 HG1 THR 25 HG1 THR 25 17.723 8.317 4.921
183 1HG2 THR 25 1HG2 THR 25 18.397 9.836 3.125
184 2HG2 THR 25 2HG2 THR 25 19.546 8.556 2.684
185 3HG2 THR 25 3HG2 THR 25 18.364 9.128 1.495
186 H CYS 26 H CYS 26 15.444 6.639 1.148
187 HA CYS 26 HA CYS 26 15.620 8.304 -1.179
188 1HB CYS 26 1HB CYS 26 14.164 5.659 -0.778
189 2HB CYS 26 2HB CYS 26 14.528 6.417 -2.303
190 H ALA 27 H ALA 27 12.953 7.330 0.974
191 HA ALA 27 HA ALA 27 10.811 8.322 -0.569
192 1HB ALA 27 1HB ALA 27 10.983 8.193 2.462
193 2HB ALA 27 2HB ALA 27 9.519 8.278 1.471
194 3HB ALA 27 3HB ALA 27 10.545 6.837 1.403
195 H LYS 28 H LYS 28 13.062 10.001 1.661
196 HA LYS 28 HA LYS 28 11.533 12.536 1.320
197 1HB LYS 28 1HB LYS 28 13.953 11.949 3.005
198 2HB LYS 28 2HB LYS 28 12.982 13.431 3.015
199 1HG LYS 28 1HG LYS 28 12.001 10.642 3.792
200 2HG LYS 28 2HG LYS 28 12.462 11.951 4.873
201 1HD LYS 28 1HD LYS 28 10.199 12.044 4.955
202 2HD LYS 28 2HD LYS 28 10.545 13.322 3.785
203 1HE LYS 28 1HE LYS 28 9.652 11.999 1.979
204 2HE LYS 28 2HE LYS 28 9.886 10.483 2.865
205 1HZ LYS 28 1HZ LYS 28 8.102 11.139 4.286
206 2HZ LYS 28 2HZ LYS 28 7.932 12.574 3.483
207 3HZ LYS 28 3HZ LYS 28 7.643 11.150 2.698
208 H LEU 29 H LEU 29 14.503 11.079 0.091
209 HA LEU 29 HA LEU 29 15.508 13.430 -1.162
210 1HB LEU 29 1HB LEU 29 16.759 11.317 -1.019
211 2HB LEU 29 2HB LEU 29 15.553 10.516 -2.033
212 HG LEU 29 HG LEU 29 16.159 11.962 -3.947
213 1HD1 LEU 29 1HD1 LEU 29 18.273 13.083 -2.047
214 2HD1 LEU 29 2HD1 LEU 29 18.252 13.328 -3.806
215 3HD1 LEU 29 3HD1 LEU 29 16.952 13.994 -2.814
216 1HD2 LEU 29 1HD2 LEU 29 18.530 10.571 -2.635
217 2HD2 LEU 29 2HD2 LEU 29 17.261 9.790 -3.601
218 3HD2 LEU 29 3HD2 LEU 29 18.361 10.953 -4.363
219 H SER 30 H SER 30 12.999 11.038 -2.076
220 HA SER 30 HA SER 30 12.358 12.349 -4.591
221 1HB SER 30 1HB SER 30 10.713 10.550 -4.747
222 2HB SER 30 2HB SER 30 12.305 9.902 -4.298
223 HG SER 30 HG SER 30 11.597 9.840 -2.134
224 H GLY 31 H GLY 31 11.026 12.264 -1.256
225 1HA GLY 31 1HA GLY 31 9.378 13.600 -0.346
226 2HA GLY 31 2HA GLY 31 8.966 14.271 -1.927
227 H CYS 32 H CYS 32 9.312 10.765 -1.753
228 HA CYS 32 HA CYS 32 6.441 10.285 -2.005
229 1HB CYS 32 1HB CYS 32 8.667 8.311 -1.578
230 2HB CYS 32 2HB CYS 32 7.023 7.967 -2.081
231 H LYS 33 H LYS 33 5.525 8.569 -0.472
232 HA LYS 33 HA LYS 33 6.566 8.469 2.240
233 1HB LYS 33 1HB LYS 33 4.506 9.242 3.316
234 2HB LYS 33 2HB LYS 33 5.309 10.503 2.386
235 1HG LYS 33 1HG LYS 33 3.660 9.901 0.462
236 2HG LYS 33 2HG LYS 33 2.806 8.926 1.667
237 1HD LYS 33 1HD LYS 33 1.683 11.004 1.675
238 2HD LYS 33 2HD LYS 33 2.716 11.056 3.113
239 1HE LYS 33 1HE LYS 33 4.424 12.359 1.722
240 2HE LYS 33 2HE LYS 33 3.270 12.335 0.388
241 1HZ LYS 33 1HZ LYS 33 3.158 14.357 1.633
242 2HZ LYS 33 2HZ LYS 33 1.746 13.539 1.817
243 3HZ LYS 33 3HZ LYS 33 2.851 13.551 3.038
244 H ILE 34 H ILE 34 4.938 6.974 3.555
245 HA ILE 34 HA ILE 34 4.358 4.675 1.726
246 HB ILE 34 HB ILE 34 5.851 4.693 4.359
247 1HG1 ILE 34 1HG1 ILE 34 7.139 5.918 2.583
248 2HG1 ILE 34 2HG1 ILE 34 7.885 4.488 3.244
249 1HG2 ILE 34 1HG2 ILE 34 5.353 2.507 2.300
250 2HG2 ILE 34 2HG2 ILE 34 6.543 2.389 3.619
251 3HG2 ILE 34 3HG2 ILE 34 4.821 2.553 3.988
252 1HD1 ILE 34 1HD1 ILE 34 8.288 4.601 0.895
253 2HD1 ILE 34 2HD1 ILE 34 7.222 3.215 1.180
254 3HD1 ILE 34 3HD1 ILE 34 6.575 4.737 0.529
255 H ILE 35 H ILE 35 2.456 3.676 2.068
256 HA ILE 35 HA ILE 35 1.212 3.778 4.779
257 HB ILE 35 HB ILE 35 -0.930 3.799 3.785
258 1HG1 ILE 35 1HG1 ILE 35 0.463 3.975 1.090
259 2HG1 ILE 35 2HG1 ILE 35 -0.416 2.582 1.699
260 1HG2 ILE 35 1HG2 ILE 35 -1.022 6.104 3.096
261 2HG2 ILE 35 2HG2 ILE 35 0.280 5.957 4.276
262 3HG2 ILE 35 3HG2 ILE 35 0.666 6.077 2.546
263 1HD1 ILE 35 1HD1 ILE 35 -1.621 5.286 1.069
264 2HD1 ILE 35 2HD1 ILE 35 -1.835 3.742 0.219
265 3HD1 ILE 35 3HD1 ILE 35 -2.483 3.942 1.865
266 H SER 36 H SER 36 -0.315 1.939 5.092
267 HA SER 36 HA SER 36 0.711 -0.625 4.217
268 1HB SER 36 1HB SER 36 -1.735 0.282 5.803
269 2HB SER 36 2HB SER 36 -1.256 -1.397 5.536
270 HG SER 36 HG SER 36 0.339 0.583 6.797
271 H GLY 37 H GLY 37 -1.930 1.571 3.472
272 1HA GLY 37 1HA GLY 37 -3.776 -0.050 2.208
273 2HA GLY 37 2HA GLY 37 -3.540 1.650 1.818
274 H SER 38 H SER 38 -4.031 -1.025 0.311
275 HA SER 38 HA SER 38 -1.963 -1.710 -1.376
276 1HB SER 38 1HB SER 38 -4.954 -1.637 -1.982
277 2HB SER 38 2HB SER 38 -3.731 -2.666 -2.749
278 HG SER 38 HG SER 38 -3.351 -3.587 -0.680
279 H THR 39 H THR 39 -4.438 0.841 -1.791
280 HA THR 39 HA THR 39 -2.812 2.030 -3.990
281 HB THR 39 HB THR 39 -4.951 1.375 -4.806
282 HG1 THR 39 HG1 THR 39 -5.581 3.443 -5.540
283 1HG2 THR 39 1HG2 THR 39 -7.056 2.407 -4.019
284 2HG2 THR 39 2HG2 THR 39 -6.329 1.446 -2.724
285 3HG2 THR 39 3HG2 THR 39 -6.190 3.218 -2.703
286 H CYS 40 H CYS 40 -2.612 4.214 -4.008
287 HA CYS 40 HA CYS 40 -2.320 5.514 -1.356
288 1HB CYS 40 1HB CYS 40 -1.192 5.956 -4.143
289 2HB CYS 40 2HB CYS 40 -0.869 7.040 -2.807
290 HA PRO 41 HA PRO 41 -5.482 8.513 -2.382
291 1HB PRO 41 1HB PRO 41 -4.452 10.934 -1.601
292 2HB PRO 41 2HB PRO 41 -4.955 9.676 -0.447
293 1HG PRO 41 1HG PRO 41 -2.158 10.121 -1.547
294 2HG PRO 41 2HG PRO 41 -2.650 10.061 0.173
295 1HD PRO 41 1HD PRO 41 -1.667 7.886 -1.016
296 2HD PRO 41 2HD PRO 41 -3.128 7.702 -0.016
297 H SER 42 H SER 42 -5.931 10.409 -3.691
298 HA SER 42 HA SER 42 -5.003 10.081 -6.309
299 1HB SER 42 1HB SER 42 -6.489 12.453 -5.111
300 2HB SER 42 2HB SER 42 -6.446 11.985 -6.824
301 HG SER 42 HG SER 42 -8.312 11.206 -5.748
302 H ASP 43 H ASP 43 -3.644 12.110 -3.765
303 HA ASP 43 HA ASP 43 -2.286 13.872 -5.668
304 1HB ASP 43 1HB ASP 43 -1.577 15.091 -3.746
305 2HB ASP 43 2HB ASP 43 -3.325 14.852 -3.722
306 H TYR 44 H TYR 44 -1.563 10.899 -3.893
307 HA TYR 44 HA TYR 44 1.228 11.088 -4.935
308 1HB TYR 44 1HB TYR 44 0.452 9.691 -2.390
309 2HB TYR 44 2HB TYR 44 2.065 10.048 -2.997
310 HD1 TYR 44 HD1 TYR 44 -0.155 10.918 -0.505
311 HD2 TYR 44 HD2 TYR 44 2.394 12.752 -3.457
312 HE1 TYR 44 HE1 TYR 44 -0.237 13.038 0.749
313 HE2 TYR 44 HE2 TYR 44 2.306 14.884 -2.206
314 HH TYR 44 HH TYR 44 1.399 16.008 -0.397
315 HA PRO 45 HA PRO 45 -1.505 7.390 -5.981
316 1HB PRO 45 1HB PRO 45 -1.632 7.476 -8.713
317 2HB PRO 45 2HB PRO 45 -2.662 8.464 -7.638
318 1HG PRO 45 1HG PRO 45 -0.078 9.305 -8.975
319 2HG PRO 45 2HG PRO 45 -1.645 10.166 -8.986
320 1HD PRO 45 1HD PRO 45 0.297 10.838 -7.211
321 2HD PRO 45 2HD PRO 45 -1.421 10.775 -6.720
322 H LYS 46 H LYS 46 1.674 8.304 -7.346
323 HA LYS 46 HA LYS 46 1.972 5.804 -8.787
324 1HB LYS 46 1HB LYS 46 4.042 7.925 -8.138
325 2HB LYS 46 2HB LYS 46 4.184 6.664 -9.367
326 1HG LYS 46 1HG LYS 46 2.176 8.967 -9.356
327 2HG LYS 46 2HG LYS 46 3.691 8.906 -10.251
328 1HD LYS 46 1HD LYS 46 2.931 7.086 -11.645
329 2HD LYS 46 2HD LYS 46 1.461 6.878 -10.680
330 1HE LYS 46 1HE LYS 46 1.028 8.078 -12.796
331 2HE LYS 46 2HE LYS 46 0.583 9.017 -11.364
332 1HZ LYS 46 1HZ LYS 46 2.589 10.253 -11.591
333 2HZ LYS 46 2HZ LYS 46 3.074 9.362 -12.892
334 3HZ LYS 46 3HZ LYS 46 1.736 10.321 -12.996
Start of MODEL 2
1 1H LYS 1 1H LYS 1 1.460 -0.572 0.565
2 2H LYS 1 2H LYS 1 1.993 0.771 1.356
3 3H LYS 1 3H LYS 1 1.049 0.923 0.020
4 HA LYS 1 HA LYS 1 3.730 -0.249 0.124
5 1HB LYS 1 1HB LYS 1 3.689 -0.340 -2.278
6 2HB LYS 1 2HB LYS 1 2.269 -1.169 -1.648
7 1HG LYS 1 1HG LYS 1 0.842 0.771 -2.181
8 2HG LYS 1 2HG LYS 1 2.252 1.698 -2.696
9 1HD LYS 1 1HD LYS 1 2.690 -0.145 -4.436
10 2HD LYS 1 2HD LYS 1 1.105 -0.794 -3.994
11 1HE LYS 1 1HE LYS 1 0.725 0.583 -5.900
12 2HE LYS 1 2HE LYS 1 0.150 1.535 -4.523
13 1HZ LYS 1 1HZ LYS 1 2.723 1.812 -5.924
14 2HZ LYS 1 2HZ LYS 1 1.460 2.866 -5.970
15 3HZ LYS 1 3HZ LYS 1 2.321 2.668 -4.579
16 H SER 2 H SER 2 4.927 1.188 -1.881
17 HA SER 2 HA SER 2 5.331 3.813 -0.681
18 1HB SER 2 1HB SER 2 6.618 2.534 -3.129
19 2HB SER 2 2HB SER 2 7.192 3.963 -2.240
20 HG SER 2 HG SER 2 8.337 2.201 -1.545
21 H CYS 3 H CYS 3 4.993 5.777 -1.665
22 HA CYS 3 HA CYS 3 2.980 5.842 -3.876
23 1HB CYS 3 1HB CYS 3 2.857 6.479 -0.910
24 2HB CYS 3 2HB CYS 3 1.740 7.242 -2.032
25 H CYS 4 H CYS 4 3.624 7.367 -5.287
26 HA CYS 4 HA CYS 4 5.404 9.536 -4.283
27 1HB CYS 4 1HB CYS 4 5.441 7.983 -6.871
28 2HB CYS 4 2HB CYS 4 6.451 9.364 -6.542
29 HA PRO 5 HA PRO 5 2.629 12.452 -6.018
30 1HB PRO 5 1HB PRO 5 4.198 14.618 -6.429
31 2HB PRO 5 2HB PRO 5 3.861 13.980 -4.801
32 1HG PRO 5 1HG PRO 5 6.312 13.480 -6.514
33 2HG PRO 5 2HG PRO 5 6.252 13.949 -4.792
34 1HD PRO 5 1HD PRO 5 6.557 11.363 -5.590
35 2HD PRO 5 2HD PRO 5 5.635 11.792 -4.130
36 H ASN 6 H ASN 6 5.606 11.828 -7.906
37 HA ASN 6 HA ASN 6 4.176 12.425 -10.448
38 1HB ASN 6 1HB ASN 6 6.812 13.654 -9.539
39 2HB ASN 6 2HB ASN 6 6.211 13.687 -11.200
40 1HD2 ASN 6 1HD2 ASN 6 4.693 16.285 -8.452
41 2HD2 ASN 6 2HD2 ASN 6 5.927 15.106 -8.048
42 H THR 7 H THR 7 5.419 11.759 -12.298
43 HA THR 7 HA THR 7 6.321 9.049 -12.089
44 HB THR 7 HB THR 7 6.696 11.015 -14.393
45 HG1 THR 7 HG1 THR 7 4.715 10.066 -15.094
46 1HG2 THR 7 1HG2 THR 7 6.516 7.966 -14.313
47 2HG2 THR 7 2HG2 THR 7 6.629 8.960 -15.779
48 3HG2 THR 7 3HG2 THR 7 7.986 8.907 -14.643
49 H THR 8 H THR 8 7.990 12.213 -12.513
50 HA THR 8 HA THR 8 10.620 11.176 -12.692
51 HB THR 8 HB THR 8 9.929 13.890 -11.562
52 HG1 THR 8 HG1 THR 8 9.860 13.066 -14.275
53 1HG2 THR 8 1HG2 THR 8 12.092 12.850 -13.463
54 2HG2 THR 8 2HG2 THR 8 11.929 14.522 -12.893
55 3HG2 THR 8 3HG2 THR 8 12.334 13.228 -11.745
56 H GLY 9 H GLY 9 8.531 11.923 -9.954
57 1HA GLY 9 1HA GLY 9 10.541 11.747 -7.887
58 2HA GLY 9 2HA GLY 9 8.787 11.656 -7.693
59 H ARG 10 H ARG 10 8.102 9.454 -9.274
60 HA ARG 10 HA ARG 10 8.804 7.159 -7.771
61 1HB ARG 10 1HB ARG 10 6.756 7.403 -9.101
62 2HB ARG 10 2HB ARG 10 7.692 7.534 -10.586
63 1HG ARG 10 1HG ARG 10 6.719 5.312 -10.344
64 2HG ARG 10 2HG ARG 10 8.481 5.266 -10.401
65 1HD ARG 10 1HD ARG 10 7.677 3.756 -8.697
66 2HD ARG 10 2HD ARG 10 8.524 5.065 -7.889
67 HE ARG 10 HE ARG 10 5.678 5.585 -8.133
68 1HH1 ARG 10 1HH1 ARG 10 4.300 5.326 -6.351
69 2HH1 ARG 10 2HH1 ARG 10 4.768 4.322 -5.000
70 1HH2 ARG 10 1HH2 ARG 10 7.969 3.567 -6.331
71 2HH2 ARG 10 2HH2 ARG 10 6.887 3.331 -4.984
72 H ASN 11 H ASN 11 10.240 8.630 -10.682
73 HA ASN 11 HA ASN 11 11.992 6.414 -11.244
74 1HB ASN 11 1HB ASN 11 12.328 9.349 -11.981
75 2HB ASN 11 2HB ASN 11 13.201 7.986 -12.674
76 1HD2 ASN 11 1HD2 ASN 11 10.288 9.125 -14.841
77 2HD2 ASN 11 2HD2 ASN 11 11.624 9.950 -14.076
78 H ILE 12 H ILE 12 12.478 9.537 -9.424
79 HA ILE 12 HA ILE 12 15.226 8.921 -8.958
80 HB ILE 12 HB ILE 12 13.843 11.191 -8.803
81 1HG1 ILE 12 1HG1 ILE 12 16.213 11.140 -8.925
82 2HG1 ILE 12 2HG1 ILE 12 15.758 12.173 -7.569
83 1HG2 ILE 12 1HG2 ILE 12 14.018 10.435 -5.861
84 2HG2 ILE 12 2HG2 ILE 12 13.611 12.015 -6.545
85 3HG2 ILE 12 3HG2 ILE 12 12.543 10.642 -6.824
86 1HD1 ILE 12 1HD1 ILE 12 17.633 10.857 -6.858
87 2HD1 ILE 12 2HD1 ILE 12 16.233 10.156 -6.031
88 3HD1 ILE 12 3HD1 ILE 12 16.931 9.361 -7.458
89 H TYR 13 H TYR 13 12.251 8.544 -6.992
90 HA TYR 13 HA TYR 13 13.258 7.439 -4.678
91 1HB TYR 13 1HB TYR 13 10.908 8.058 -5.081
92 2HB TYR 13 2HB TYR 13 10.749 6.806 -6.302
93 HD1 TYR 13 HD1 TYR 13 9.931 4.673 -5.684
94 HD2 TYR 13 HD2 TYR 13 11.445 7.361 -2.693
95 HE1 TYR 13 HE1 TYR 13 9.218 3.111 -3.918
96 HE2 TYR 13 HE2 TYR 13 10.758 5.794 -0.919
97 HH TYR 13 HH TYR 13 10.251 3.570 -0.490
98 H ASN 14 H ASN 14 12.457 5.877 -7.789
99 HA ASN 14 HA ASN 14 13.179 3.301 -6.910
100 1HB ASN 14 1HB ASN 14 12.699 4.591 -9.626
101 2HB ASN 14 2HB ASN 14 13.231 2.933 -9.535
102 1HD2 ASN 14 1HD2 ASN 14 9.417 3.259 -9.596
103 2HD2 ASN 14 2HD2 ASN 14 10.635 4.186 -10.443
104 H ALA 15 H ALA 15 15.032 5.860 -8.462
105 HA ALA 15 HA ALA 15 17.300 4.242 -9.196
106 1HB ALA 15 1HB ALA 15 16.875 6.457 -10.180
107 2HB ALA 15 2HB ALA 15 17.154 7.224 -8.602
108 3HB ALA 15 3HB ALA 15 18.479 6.377 -9.422
109 H CYS 16 H CYS 16 16.422 6.155 -6.328
110 HA CYS 16 HA CYS 16 18.765 5.820 -4.775
111 1HB CYS 16 1HB CYS 16 16.926 7.437 -4.334
112 2HB CYS 16 2HB CYS 16 15.851 6.123 -3.985
113 H ARG 17 H ARG 17 15.638 3.960 -4.753
114 HA ARG 17 HA ARG 17 16.406 1.983 -2.971
115 1HB ARG 17 1HB ARG 17 14.531 1.914 -5.365
116 2HB ARG 17 2HB ARG 17 14.567 0.648 -4.140
117 1HG ARG 17 1HG ARG 17 14.258 3.487 -3.139
118 2HG ARG 17 2HG ARG 17 12.901 2.790 -4.032
119 1HD ARG 17 1HD ARG 17 12.831 2.478 -1.548
120 2HD ARG 17 2HD ARG 17 12.673 1.012 -2.534
121 HE ARG 17 HE ARG 17 15.269 1.881 -1.311
122 1HH1 ARG 17 1HH1 ARG 17 16.361 0.383 -0.050
123 2HH1 ARG 17 2HH1 ARG 17 15.559 -1.107 0.409
124 1HH2 ARG 17 1HH2 ARG 17 12.675 -0.597 -1.476
125 2HH2 ARG 17 2HH2 ARG 17 13.565 -1.709 -0.476
126 H LEU 18 H LEU 18 16.782 1.937 -6.542
127 HA LEU 18 HA LEU 18 17.854 -0.677 -6.742
128 1HB LEU 18 1HB LEU 18 18.116 1.811 -8.464
129 2HB LEU 18 2HB LEU 18 18.806 0.260 -8.941
130 HG LEU 18 HG LEU 18 15.873 0.536 -8.242
131 1HD1 LEU 18 1HD1 LEU 18 17.172 0.803 -10.990
132 2HD1 LEU 18 2HD1 LEU 18 15.425 0.734 -10.670
133 3HD1 LEU 18 3HD1 LEU 18 16.377 2.110 -10.089
134 1HD2 LEU 18 1HD2 LEU 18 17.418 -1.503 -9.907
135 2HD2 LEU 18 2HD2 LEU 18 16.726 -1.785 -8.296
136 3HD2 LEU 18 3HD2 LEU 18 15.659 -1.485 -9.671
137 H THR 19 H THR 19 19.425 2.456 -6.130
138 HA THR 19 HA THR 19 22.092 1.212 -5.987
139 HB THR 19 HB THR 19 22.842 3.474 -5.316
140 HG1 THR 19 HG1 THR 19 20.133 4.180 -5.770
141 1HG2 THR 19 1HG2 THR 19 22.816 2.818 -7.679
142 2HG2 THR 19 2HG2 THR 19 21.141 3.382 -7.843
143 3HG2 THR 19 3HG2 THR 19 22.435 4.539 -7.482
144 H GLY 20 H GLY 20 19.929 0.188 -4.197
145 1HA GLY 20 1HA GLY 20 19.990 -0.913 -2.254
146 2HA GLY 20 2HA GLY 20 21.714 -0.534 -2.177
147 H ALA 21 H ALA 21 19.400 2.131 -2.184
148 HA ALA 21 HA ALA 21 20.162 2.738 0.620
149 1HB ALA 21 1HB ALA 21 19.223 4.990 0.076
150 2HB ALA 21 2HB ALA 21 20.586 4.487 -0.948
151 3HB ALA 21 3HB ALA 21 18.935 4.391 -1.572
152 HA PRO 22 HA PRO 22 16.344 1.230 2.044
153 1HB PRO 22 1HB PRO 22 16.039 2.374 4.482
154 2HB PRO 22 2HB PRO 22 17.421 1.320 4.086
155 1HG PRO 22 1HG PRO 22 17.354 4.348 3.951
156 2HG PRO 22 2HG PRO 22 18.527 3.330 4.841
157 1HD PRO 22 1HD PRO 22 19.090 4.242 2.351
158 2HD PRO 22 2HD PRO 22 19.524 2.570 2.821
159 H ARG 23 H ARG 23 14.106 1.649 2.574
160 HA ARG 23 HA ARG 23 12.951 3.320 0.704
161 1HB ARG 23 1HB ARG 23 11.620 2.061 3.133
162 2HB ARG 23 2HB ARG 23 10.795 2.804 1.766
163 1HG ARG 23 1HG ARG 23 11.760 1.153 0.228
164 2HG ARG 23 2HG ARG 23 12.704 0.445 1.554
165 1HD ARG 23 1HD ARG 23 10.807 -0.950 1.224
166 2HD ARG 23 2HD ARG 23 10.585 -0.081 2.753
167 HE ARG 23 HE ARG 23 9.351 1.277 0.495
168 1HH1 ARG 23 1HH1 ARG 23 7.071 1.220 0.240
169 2HH1 ARG 23 2HH1 ARG 23 6.108 0.126 1.206
170 1HH2 ARG 23 1HH2 ARG 23 8.868 -1.358 2.830
171 2HH2 ARG 23 2HH2 ARG 23 7.133 -1.359 2.659
172 HA PRO 24 HA PRO 24 11.577 6.393 4.165
173 1HB PRO 24 1HB PRO 24 13.972 6.286 5.995
174 2HB PRO 24 2HB PRO 24 12.260 6.599 6.398
175 1HG PRO 24 1HG PRO 24 13.339 4.168 6.896
176 2HG PRO 24 2HG PRO 24 11.720 4.268 6.134
177 1HD PRO 24 1HD PRO 24 14.397 3.915 4.758
178 2HD PRO 24 2HD PRO 24 12.935 2.908 4.598
179 H THR 25 H THR 25 15.149 6.087 3.759
180 HA THR 25 HA THR 25 15.699 8.852 3.531
181 HB THR 25 HB THR 25 17.203 6.470 2.348
182 HG1 THR 25 HG1 THR 25 17.393 7.758 4.868
183 1HG2 THR 25 1HG2 THR 25 18.049 8.610 1.453
184 2HG2 THR 25 2HG2 THR 25 18.149 9.275 3.099
185 3HG2 THR 25 3HG2 THR 25 19.198 7.926 2.614
186 H CYS 26 H CYS 26 15.032 6.366 1.057
187 HA CYS 26 HA CYS 26 15.348 8.108 -1.200
188 1HB CYS 26 1HB CYS 26 13.792 5.504 -0.938
189 2HB CYS 26 2HB CYS 26 14.254 6.284 -2.426
190 H ALA 27 H ALA 27 12.608 7.174 0.856
191 HA ALA 27 HA ALA 27 10.519 8.261 -0.701
192 1HB ALA 27 1HB ALA 27 9.213 8.241 1.362
193 2HB ALA 27 2HB ALA 27 10.117 6.738 1.182
194 3HB ALA 27 3HB ALA 27 10.676 7.980 2.323
195 H LYS 28 H LYS 28 12.754 9.805 1.647
196 HA LYS 28 HA LYS 28 11.306 12.391 1.299
197 1HB LYS 28 1HB LYS 28 13.594 11.690 3.116
198 2HB LYS 28 2HB LYS 28 12.669 13.202 3.102
199 1HG LYS 28 1HG LYS 28 11.546 10.426 3.725
200 2HG LYS 28 2HG LYS 28 11.980 11.682 4.878
201 1HD LYS 28 1HD LYS 28 9.723 11.864 4.820
202 2HD LYS 28 2HD LYS 28 10.189 13.159 3.712
203 1HE LYS 28 1HE LYS 28 9.365 11.915 1.815
204 2HE LYS 28 2HE LYS 28 9.482 10.371 2.678
205 1HZ LYS 28 1HZ LYS 28 7.635 11.084 3.998
206 2HZ LYS 28 2HZ LYS 28 7.568 12.528 3.196
207 3HZ LYS 28 3HZ LYS 28 7.285 11.118 2.383
208 H LEU 29 H LEU 29 14.247 10.865 0.125
209 HA LEU 29 HA LEU 29 15.378 13.236 -0.995
210 1HB LEU 29 1HB LEU 29 16.561 11.082 -0.882
211 2HB LEU 29 2HB LEU 29 15.373 10.355 -1.971
212 HG LEU 29 HG LEU 29 16.091 11.852 -3.804
213 1HD1 LEU 29 1HD1 LEU 29 18.159 12.842 -1.784
214 2HD1 LEU 29 2HD1 LEU 29 18.216 13.150 -3.532
215 3HD1 LEU 29 3HD1 LEU 29 16.896 13.818 -2.568
216 1HD2 LEU 29 1HD2 LEU 29 18.370 10.346 -2.455
217 2HD2 LEU 29 2HD2 LEU 29 17.119 9.638 -3.499
218 3HD2 LEU 29 3HD2 LEU 29 18.281 10.795 -4.172
219 H SER 30 H SER 30 12.833 10.952 -2.076
220 HA SER 30 HA SER 30 12.339 12.353 -4.578
221 1HB SER 30 1HB SER 30 10.678 10.587 -4.871
222 2HB SER 30 2HB SER 30 12.234 9.897 -4.360
223 HG SER 30 HG SER 30 11.416 9.789 -2.239
224 H GLY 31 H GLY 31 10.826 12.141 -1.327
225 1HA GLY 31 1HA GLY 31 9.189 13.562 -0.469
226 2HA GLY 31 2HA GLY 31 8.755 14.132 -2.081
227 H CYS 32 H CYS 32 9.125 10.680 -2.082
228 HA CYS 32 HA CYS 32 6.293 10.154 -2.289
229 1HB CYS 32 1HB CYS 32 8.470 8.173 -1.805
230 2HB CYS 32 2HB CYS 32 6.865 7.863 -2.412
231 H LYS 33 H LYS 33 5.195 8.582 -0.794
232 HA LYS 33 HA LYS 33 6.041 8.732 2.036
233 1HB LYS 33 1HB LYS 33 3.755 8.938 2.759
234 2HB LYS 33 2HB LYS 33 4.226 10.295 1.719
235 1HG LYS 33 1HG LYS 33 3.072 9.227 -0.187
236 2HG LYS 33 2HG LYS 33 2.620 7.843 0.829
237 1HD LYS 33 1HD LYS 33 0.768 9.447 0.486
238 2HD LYS 33 2HD LYS 33 1.161 9.160 2.193
239 1HE LYS 33 1HE LYS 33 2.322 11.248 2.380
240 2HE LYS 33 2HE LYS 33 2.330 11.477 0.631
241 1HZ LYS 33 1HZ LYS 33 -0.082 11.765 0.745
242 2HZ LYS 33 2HZ LYS 33 -0.067 11.479 2.366
243 3HZ LYS 33 3HZ LYS 33 0.662 12.821 1.754
244 H ILE 34 H ILE 34 5.117 6.957 3.292
245 HA ILE 34 HA ILE 34 4.996 4.426 1.707
246 HB ILE 34 HB ILE 34 6.655 5.151 4.148
247 1HG1 ILE 34 1HG1 ILE 34 7.402 6.087 1.822
248 2HG1 ILE 34 2HG1 ILE 34 8.544 5.254 2.838
249 1HG2 ILE 34 1HG2 ILE 34 6.373 2.550 2.598
250 2HG2 ILE 34 2HG2 ILE 34 7.681 2.880 3.761
251 3HG2 ILE 34 3HG2 ILE 34 5.995 2.835 4.303
252 1HD1 ILE 34 1HD1 ILE 34 8.426 3.262 1.454
253 2HD1 ILE 34 2HD1 ILE 34 7.023 3.917 0.594
254 3HD1 ILE 34 3HD1 ILE 34 8.606 4.678 0.397
255 H ILE 35 H ILE 35 3.009 3.630 2.093
256 HA ILE 35 HA ILE 35 1.835 3.857 4.841
257 HB ILE 35 HB ILE 35 -0.313 3.953 3.761
258 1HG1 ILE 35 1HG1 ILE 35 1.155 4.299 1.114
259 2HG1 ILE 35 2HG1 ILE 35 0.394 2.781 1.619
260 1HG2 ILE 35 1HG2 ILE 35 -0.203 6.283 3.093
261 2HG2 ILE 35 2HG2 ILE 35 0.962 6.017 4.391
262 3HG2 ILE 35 3HG2 ILE 35 1.525 6.148 2.713
263 1HD1 ILE 35 1HD1 ILE 35 -1.780 3.972 1.870
264 2HD1 ILE 35 2HD1 ILE 35 -1.022 5.423 1.167
265 3HD1 ILE 35 3HD1 ILE 35 -1.135 3.931 0.214
266 H SER 36 H SER 36 0.118 2.189 5.222
267 HA SER 36 HA SER 36 1.002 -0.494 4.594
268 1HB SER 36 1HB SER 36 -1.434 0.680 6.013
269 2HB SER 36 2HB SER 36 -1.035 -1.038 5.916
270 HG SER 36 HG SER 36 0.625 0.968 7.045
271 H GLY 37 H GLY 37 -1.377 1.824 3.465
272 1HA GLY 37 1HA GLY 37 -3.303 0.152 2.357
273 2HA GLY 37 2HA GLY 37 -2.992 1.798 1.814
274 H SER 38 H SER 38 -3.525 -1.006 0.560
275 HA SER 38 HA SER 38 -1.427 -1.815 -1.073
276 1HB SER 38 1HB SER 38 -4.432 -1.896 -1.607
277 2HB SER 38 2HB SER 38 -3.189 -2.936 -2.328
278 HG SER 38 HG SER 38 -4.220 -3.924 -0.542
279 H THR 39 H THR 39 -3.992 0.612 -1.649
280 HA THR 39 HA THR 39 -2.502 1.620 -4.030
281 HB THR 39 HB THR 39 -4.749 0.959 -4.585
282 HG1 THR 39 HG1 THR 39 -5.377 2.975 -5.437
283 1HG2 THR 39 1HG2 THR 39 -6.720 2.150 -3.692
284 2HG2 THR 39 2HG2 THR 39 -5.903 1.271 -2.392
285 3HG2 THR 39 3HG2 THR 39 -5.698 3.031 -2.543
286 H CYS 40 H CYS 40 -2.484 3.891 -4.258
287 HA CYS 40 HA CYS 40 -1.733 5.283 -1.758
288 1HB CYS 40 1HB CYS 40 -1.202 5.801 -4.714
289 2HB CYS 40 2HB CYS 40 -0.526 6.722 -3.373
290 HA PRO 41 HA PRO 41 -5.225 7.974 -2.273
291 1HB PRO 41 1HB PRO 41 -4.539 10.272 -1.090
292 2HB PRO 41 2HB PRO 41 -4.535 8.758 -0.168
293 1HG PRO 41 1HG PRO 41 -2.144 10.053 -1.516
294 2HG PRO 41 2HG PRO 41 -2.274 9.549 0.194
295 1HD PRO 41 1HD PRO 41 -1.160 7.956 -1.699
296 2HD PRO 41 2HD PRO 41 -2.151 7.256 -0.391
297 H SER 42 H SER 42 -5.922 10.139 -3.170
298 HA SER 42 HA SER 42 -5.189 10.489 -5.832
299 1HB SER 42 1HB SER 42 -6.450 12.522 -3.942
300 2HB SER 42 2HB SER 42 -6.551 12.525 -5.715
301 HG SER 42 HG SER 42 -7.583 10.464 -5.543
302 H ASP 43 H ASP 43 -3.848 12.044 -2.920
303 HA ASP 43 HA ASP 43 -2.435 14.096 -4.360
304 1HB ASP 43 1HB ASP 43 -1.285 14.409 -2.109
305 2HB ASP 43 2HB ASP 43 -3.007 14.735 -2.251
306 H TYR 44 H TYR 44 -1.688 10.716 -3.875
307 HA TYR 44 HA TYR 44 0.986 11.230 -5.085
308 1HB TYR 44 1HB TYR 44 0.424 9.355 -2.771
309 2HB TYR 44 2HB TYR 44 1.867 9.355 -3.758
310 HD1 TYR 44 HD1 TYR 44 -0.140 11.536 -1.514
311 HD2 TYR 44 HD2 TYR 44 3.708 10.778 -3.217
312 HE1 TYR 44 HE1 TYR 44 0.669 13.731 -0.646
313 HE2 TYR 44 HE2 TYR 44 4.547 12.913 -2.315
314 HH TYR 44 HH TYR 44 4.042 14.832 -1.150
315 HA PRO 45 HA PRO 45 -1.706 8.196 -7.253
316 1HB PRO 45 1HB PRO 45 -2.050 9.365 -9.663
317 2HB PRO 45 2HB PRO 45 -2.811 10.025 -8.190
318 1HG PRO 45 1HG PRO 45 -0.217 10.934 -9.470
319 2HG PRO 45 2HG PRO 45 -1.620 11.942 -9.013
320 1HD PRO 45 1HD PRO 45 0.566 11.587 -7.374
321 2HD PRO 45 2HD PRO 45 -1.086 11.812 -6.739
322 H LYS 46 H LYS 46 1.574 8.626 -7.331
323 HA LYS 46 HA LYS 46 1.967 6.821 -9.684
324 1HB LYS 46 1HB LYS 46 3.820 8.993 -8.647
325 2HB LYS 46 2HB LYS 46 4.139 7.910 -10.003
326 1HG LYS 46 1HG LYS 46 1.850 9.931 -9.910
327 2HG LYS 46 2HG LYS 46 3.424 10.206 -10.636
328 1HD LYS 46 1HD LYS 46 3.084 8.400 -12.260
329 2HD LYS 46 2HD LYS 46 1.517 8.008 -11.527
330 1HE LYS 46 1HE LYS 46 1.201 9.334 -13.542
331 2HE LYS 46 2HE LYS 46 0.638 10.225 -12.117
332 1HZ LYS 46 1HZ LYS 46 3.251 10.600 -13.418
333 2HZ LYS 46 2HZ LYS 46 1.930 11.566 -13.641
334 3HZ LYS 46 3HZ LYS 46 2.645 11.482 -12.161
Start of MODEL 3
1 1H LYS 1 1H LYS 1 1.253 0.721 0.813
2 2H LYS 1 2H LYS 1 0.291 1.235 -0.417
3 3H LYS 1 3H LYS 1 0.547 -0.372 -0.201
4 HA LYS 1 HA LYS 1 2.820 -0.207 -0.708
5 1HB LYS 1 1HB LYS 1 2.731 0.245 -3.049
6 2HB LYS 1 2HB LYS 1 1.244 -0.568 -2.566
7 1HG LYS 1 1HG LYS 1 -0.005 1.548 -2.673
8 2HG LYS 1 2HG LYS 1 1.487 2.444 -2.954
9 1HD LYS 1 1HD LYS 1 1.819 1.063 -5.084
10 2HD LYS 1 2HD LYS 1 0.192 0.431 -4.810
11 1HE LYS 1 1HE LYS 1 -0.125 2.202 -6.333
12 2HE LYS 1 2HE LYS 1 -0.590 2.900 -4.777
13 1HZ LYS 1 1HZ LYS 1 0.803 4.402 -5.972
14 2HZ LYS 1 2HZ LYS 1 1.697 3.834 -4.707
15 3HZ LYS 1 3HZ LYS 1 1.955 3.257 -6.217
16 H SER 2 H SER 2 4.266 1.326 -2.256
17 HA SER 2 HA SER 2 4.862 3.727 -0.742
18 1HB SER 2 1HB SER 2 6.011 2.685 -3.354
19 2HB SER 2 2HB SER 2 6.690 3.990 -2.359
20 HG SER 2 HG SER 2 7.505 1.691 -2.170
21 H CYS 3 H CYS 3 4.582 5.801 -1.416
22 HA CYS 3 HA CYS 3 2.469 6.325 -3.462
23 1HB CYS 3 1HB CYS 3 2.759 7.098 -0.521
24 2HB CYS 3 2HB CYS 3 1.637 7.876 -1.608
25 H CYS 4 H CYS 4 3.419 7.596 -4.949
26 HA CYS 4 HA CYS 4 5.360 9.672 -4.039
27 1HB CYS 4 1HB CYS 4 5.249 8.133 -6.622
28 2HB CYS 4 2HB CYS 4 6.336 9.466 -6.295
29 HA PRO 5 HA PRO 5 2.601 12.825 -5.700
30 1HB PRO 5 1HB PRO 5 5.213 13.994 -6.673
31 2HB PRO 5 2HB PRO 5 3.839 14.817 -5.884
32 1HG PRO 5 1HG PRO 5 6.056 14.170 -4.462
33 2HG PRO 5 2HG PRO 5 4.437 13.878 -3.762
34 1HD PRO 5 1HD PRO 5 6.288 11.880 -5.081
35 2HD PRO 5 2HD PRO 5 5.298 11.741 -3.598
36 H ASN 6 H ASN 6 5.367 11.810 -7.746
37 HA ASN 6 HA ASN 6 3.640 11.638 -10.150
38 1HB ASN 6 1HB ASN 6 5.997 13.549 -9.842
39 2HB ASN 6 2HB ASN 6 5.305 13.084 -11.398
40 1HD2 ASN 6 1HD2 ASN 6 3.420 15.900 -9.152
41 2HD2 ASN 6 2HD2 ASN 6 4.895 15.120 -8.611
42 H THR 7 H THR 7 4.855 10.935 -12.024
43 HA THR 7 HA THR 7 6.151 8.477 -11.579
44 HB THR 7 HB THR 7 6.158 10.203 -14.091
45 HG1 THR 7 HG1 THR 7 4.288 8.282 -13.169
46 1HG2 THR 7 1HG2 THR 7 7.664 8.241 -14.253
47 2HG2 THR 7 2HG2 THR 7 6.357 7.180 -13.682
48 3HG2 THR 7 3HG2 THR 7 6.216 8.005 -15.248
49 H THR 8 H THR 8 7.456 11.758 -12.305
50 HA THR 8 HA THR 8 10.154 11.026 -12.627
51 HB THR 8 HB THR 8 9.247 13.623 -11.378
52 HG1 THR 8 HG1 THR 8 8.857 14.277 -13.539
53 1HG2 THR 8 1HG2 THR 8 11.395 12.872 -13.426
54 2HG2 THR 8 2HG2 THR 8 11.094 14.501 -12.788
55 3HG2 THR 8 3HG2 THR 8 11.698 13.223 -11.711
56 H GLY 9 H GLY 9 8.215 11.570 -9.718
57 1HA GLY 9 1HA GLY 9 10.402 11.520 -7.826
58 2HA GLY 9 2HA GLY 9 8.677 11.344 -7.487
59 H ARG 10 H ARG 10 8.002 9.099 -9.049
60 HA ARG 10 HA ARG 10 8.900 6.835 -7.604
61 1HB ARG 10 1HB ARG 10 6.804 6.959 -8.863
62 2HB ARG 10 2HB ARG 10 7.680 7.149 -10.376
63 1HG ARG 10 1HG ARG 10 6.845 4.870 -10.077
64 2HG ARG 10 2HG ARG 10 8.594 4.956 -10.283
65 1HD ARG 10 1HD ARG 10 7.992 3.372 -8.548
66 2HD ARG 10 2HD ARG 10 8.892 4.693 -7.811
67 HE ARG 10 HE ARG 10 6.198 5.402 -7.604
68 1HH1 ARG 10 1HH1 ARG 10 4.812 4.905 -5.969
69 2HH1 ARG 10 2HH1 ARG 10 5.059 3.542 -4.909
70 1HH2 ARG 10 1HH2 ARG 10 8.131 2.632 -6.512
71 2HH2 ARG 10 2HH2 ARG 10 7.006 2.198 -5.253
72 H ASN 11 H ASN 11 10.150 8.396 -10.570
73 HA ASN 11 HA ASN 11 11.990 6.273 -11.192
74 1HB ASN 11 1HB ASN 11 12.166 9.223 -11.928
75 2HB ASN 11 2HB ASN 11 13.063 7.901 -12.665
76 1HD2 ASN 11 1HD2 ASN 11 9.974 8.931 -14.665
77 2HD2 ASN 11 2HD2 ASN 11 11.292 9.825 -13.946
78 H ILE 12 H ILE 12 12.381 9.399 -9.366
79 HA ILE 12 HA ILE 12 15.172 8.899 -8.987
80 HB ILE 12 HB ILE 12 13.701 11.109 -8.796
81 1HG1 ILE 12 1HG1 ILE 12 16.067 11.152 -9.003
82 2HG1 ILE 12 2HG1 ILE 12 15.618 12.174 -7.637
83 1HG2 ILE 12 1HG2 ILE 12 14.013 10.374 -5.861
84 2HG2 ILE 12 2HG2 ILE 12 13.520 11.934 -6.536
85 3HG2 ILE 12 3HG2 ILE 12 12.497 10.518 -6.772
86 1HD1 ILE 12 1HD1 ILE 12 16.229 10.187 -6.107
87 2HD1 ILE 12 2HD1 ILE 12 16.906 9.411 -7.554
88 3HD1 ILE 12 3HD1 ILE 12 17.570 10.938 -6.986
89 H TYR 13 H TYR 13 12.284 8.397 -6.929
90 HA TYR 13 HA TYR 13 13.418 7.350 -4.641
91 1HB TYR 13 1HB TYR 13 11.029 7.883 -4.947
92 2HB TYR 13 2HB TYR 13 10.886 6.650 -6.187
93 HD1 TYR 13 HD1 TYR 13 9.500 4.937 -5.488
94 HD2 TYR 13 HD2 TYR 13 12.138 6.788 -2.640
95 HE1 TYR 13 HE1 TYR 13 8.585 3.502 -3.716
96 HE2 TYR 13 HE2 TYR 13 11.229 5.342 -0.852
97 HH TYR 13 HH TYR 13 8.680 2.905 -1.481
98 H ASN 14 H ASN 14 12.578 5.754 -7.723
99 HA ASN 14 HA ASN 14 13.424 3.205 -6.889
100 1HB ASN 14 1HB ASN 14 12.877 4.506 -9.589
101 2HB ASN 14 2HB ASN 14 13.479 2.871 -9.521
102 1HD2 ASN 14 1HD2 ASN 14 9.664 3.033 -9.598
103 2HD2 ASN 14 2HD2 ASN 14 10.841 4.041 -10.408
104 H ALA 15 H ALA 15 15.145 5.849 -8.477
105 HA ALA 15 HA ALA 15 17.445 4.310 -9.271
106 1HB ALA 15 1HB ALA 15 16.913 6.506 -10.246
107 2HB ALA 15 2HB ALA 15 17.210 7.288 -8.679
108 3HB ALA 15 3HB ALA 15 18.540 6.486 -9.537
109 H CYS 16 H CYS 16 16.589 6.203 -6.386
110 HA CYS 16 HA CYS 16 18.999 5.962 -4.916
111 1HB CYS 16 1HB CYS 16 17.123 7.527 -4.432
112 2HB CYS 16 2HB CYS 16 16.110 6.182 -4.019
113 H ARG 17 H ARG 17 15.936 4.008 -4.755
114 HA ARG 17 HA ARG 17 16.813 2.080 -2.955
115 1HB ARG 17 1HB ARG 17 14.884 1.894 -5.298
116 2HB ARG 17 2HB ARG 17 14.991 0.677 -4.027
117 1HG ARG 17 1HG ARG 17 14.610 3.536 -3.113
118 2HG ARG 17 2HG ARG 17 13.262 2.770 -3.964
119 1HD ARG 17 1HD ARG 17 13.163 2.527 -1.512
120 2HD ARG 17 2HD ARG 17 13.173 0.989 -2.410
121 HE ARG 17 HE ARG 17 15.728 2.049 -1.330
122 1HH1 ARG 17 1HH1 ARG 17 16.845 0.699 0.098
123 2HH1 ARG 17 2HH1 ARG 17 15.993 -0.616 0.883
124 1HH2 ARG 17 1HH2 ARG 17 12.955 -0.127 -0.768
125 2HH2 ARG 17 2HH2 ARG 17 13.837 -1.127 0.354
126 H LEU 18 H LEU 18 17.072 1.993 -6.538
127 HA LEU 18 HA LEU 18 18.209 -0.593 -6.742
128 1HB LEU 18 1HB LEU 18 18.327 1.872 -8.514
129 2HB LEU 18 2HB LEU 18 19.033 0.329 -8.996
130 HG LEU 18 HG LEU 18 16.127 0.552 -8.175
131 1HD1 LEU 18 1HD1 LEU 18 15.572 0.693 -10.583
132 2HD1 LEU 18 2HD1 LEU 18 16.522 2.098 -10.074
133 3HD1 LEU 18 3HD1 LEU 18 17.302 0.785 -10.981
134 1HD2 LEU 18 1HD2 LEU 18 15.899 -1.502 -9.554
135 2HD2 LEU 18 2HD2 LEU 18 17.646 -1.488 -9.860
136 3HD2 LEU 18 3HD2 LEU 18 17.025 -1.750 -8.217
137 H THR 19 H THR 19 19.716 2.595 -6.254
138 HA THR 19 HA THR 19 22.422 1.433 -6.228
139 HB THR 19 HB THR 19 23.134 3.725 -5.621
140 HG1 THR 19 HG1 THR 19 20.385 4.343 -5.945
141 1HG2 THR 19 1HG2 THR 19 23.014 3.042 -7.971
142 2HG2 THR 19 2HG2 THR 19 21.315 3.545 -8.059
143 3HG2 THR 19 3HG2 THR 19 22.583 4.751 -7.775
144 H GLY 20 H GLY 20 20.384 0.370 -4.317
145 1HA GLY 20 1HA GLY 20 20.537 -0.664 -2.341
146 2HA GLY 20 2HA GLY 20 22.263 -0.284 -2.371
147 H ALA 21 H ALA 21 19.889 2.340 -2.315
148 HA ALA 21 HA ALA 21 20.837 3.078 0.398
149 1HB ALA 21 1HB ALA 21 19.792 5.278 -0.154
150 2HB ALA 21 2HB ALA 21 21.074 4.772 -1.276
151 3HB ALA 21 3HB ALA 21 19.378 4.606 -1.744
152 HA PRO 22 HA PRO 22 17.226 1.510 2.207
153 1HB PRO 22 1HB PRO 22 16.997 2.854 4.562
154 2HB PRO 22 2HB PRO 22 18.381 1.801 4.172
155 1HG PRO 22 1HG PRO 22 18.222 4.803 3.812
156 2HG PRO 22 2HG PRO 22 19.481 3.883 4.691
157 1HD PRO 22 1HD PRO 22 19.858 4.628 2.118
158 2HD PRO 22 2HD PRO 22 20.361 2.999 2.663
159 H ARG 23 H ARG 23 14.970 1.781 2.683
160 HA ARG 23 HA ARG 23 13.702 3.282 0.785
161 1HB ARG 23 1HB ARG 23 13.062 1.144 1.946
162 2HB ARG 23 2HB ARG 23 12.402 2.114 3.262
163 1HG ARG 23 1HG ARG 23 10.810 3.175 1.727
164 2HG ARG 23 2HG ARG 23 11.532 2.309 0.345
165 1HD ARG 23 1HD ARG 23 11.024 0.148 1.384
166 2HD ARG 23 2HD ARG 23 10.411 0.973 2.826
167 HE ARG 23 HE ARG 23 9.012 1.846 0.456
168 1HH1 ARG 23 1HH1 ARG 23 6.919 1.015 -0.068
169 2HH1 ARG 23 2HH1 ARG 23 6.315 -0.403 0.753
170 1HH2 ARG 23 1HH2 ARG 23 9.222 -0.904 2.692
171 2HH2 ARG 23 2HH2 ARG 23 7.630 -1.506 2.311
172 HA PRO 24 HA PRO 24 12.087 6.325 4.193
173 1HB PRO 24 1HB PRO 24 14.507 6.464 5.985
174 2HB PRO 24 2HB PRO 24 12.781 6.636 6.409
175 1HG PRO 24 1HG PRO 24 14.082 4.324 6.949
176 2HG PRO 24 2HG PRO 24 12.446 4.261 6.221
177 1HD PRO 24 1HD PRO 24 15.115 4.106 4.795
178 2HD PRO 24 2HD PRO 24 13.747 2.968 4.696
179 H THR 25 H THR 25 15.680 6.297 3.795
180 HA THR 25 HA THR 25 16.004 9.071 3.449
181 HB THR 25 HB THR 25 17.689 6.790 2.322
182 HG1 THR 25 HG1 THR 25 18.815 7.104 4.301
183 1HG2 THR 25 1HG2 THR 25 18.340 8.971 1.358
184 2HG2 THR 25 2HG2 THR 25 18.400 9.684 2.986
185 3HG2 THR 25 3HG2 THR 25 19.556 8.418 2.520
186 H CYS 26 H CYS 26 15.471 6.474 1.052
187 HA CYS 26 HA CYS 26 15.628 8.171 -1.255
188 1HB CYS 26 1HB CYS 26 14.222 5.495 -0.892
189 2HB CYS 26 2HB CYS 26 14.601 6.270 -2.408
190 H ALA 27 H ALA 27 12.972 7.126 0.876
191 HA ALA 27 HA ALA 27 10.826 8.088 -0.695
192 1HB ALA 27 1HB ALA 27 9.518 8.004 1.366
193 2HB ALA 27 2HB ALA 27 10.502 6.548 1.180
194 3HB ALA 27 3HB ALA 27 10.993 7.812 2.328
195 H LYS 28 H LYS 28 13.010 9.761 1.615
196 HA LYS 28 HA LYS 28 11.422 12.266 1.332
197 1HB LYS 28 1HB LYS 28 13.871 11.709 2.986
198 2HB LYS 28 2HB LYS 28 12.856 13.159 3.039
199 1HG LYS 28 1HG LYS 28 11.979 10.327 3.770
200 2HG LYS 28 2HG LYS 28 12.400 11.633 4.870
201 1HD LYS 28 1HD LYS 28 10.132 11.629 4.969
202 2HD LYS 28 2HD LYS 28 10.420 12.946 3.828
203 1HE LYS 28 1HE LYS 28 9.570 11.636 1.998
204 2HE LYS 28 2HE LYS 28 9.883 10.107 2.836
205 1HZ LYS 28 1HZ LYS 28 7.834 12.078 3.536
206 2HZ LYS 28 2HZ LYS 28 7.610 10.671 2.700
207 3HZ LYS 28 3HZ LYS 28 8.080 10.625 4.284
208 H LEU 29 H LEU 29 14.451 10.922 0.099
209 HA LEU 29 HA LEU 29 15.400 13.315 -1.110
210 1HB LEU 29 1HB LEU 29 16.703 11.233 -0.987
211 2HB LEU 29 2HB LEU 29 15.526 10.415 -2.022
212 HG LEU 29 HG LEU 29 16.113 11.902 -3.912
213 1HD1 LEU 29 1HD1 LEU 29 18.185 13.044 -1.978
214 2HD1 LEU 29 2HD1 LEU 29 18.171 13.315 -3.733
215 3HD1 LEU 29 3HD1 LEU 29 16.848 13.935 -2.741
216 1HD2 LEU 29 1HD2 LEU 29 17.262 9.751 -3.587
217 2HD2 LEU 29 2HD2 LEU 29 18.342 10.949 -4.320
218 3HD2 LEU 29 3HD2 LEU 29 18.503 10.547 -2.596
219 H SER 30 H SER 30 12.961 10.876 -2.088
220 HA SER 30 HA SER 30 12.304 12.221 -4.581
221 1HB SER 30 1HB SER 30 10.704 10.395 -4.792
222 2HB SER 30 2HB SER 30 12.299 9.765 -4.328
223 HG SER 30 HG SER 30 11.554 9.648 -2.179
224 H GLY 31 H GLY 31 10.985 12.081 -1.249
225 1HA GLY 31 1HA GLY 31 9.296 13.335 -0.321
226 2HA GLY 31 2HA GLY 31 8.904 14.069 -1.880
227 H CYS 32 H CYS 32 9.282 10.559 -1.804
228 HA CYS 32 HA CYS 32 6.407 10.059 -2.043
229 1HB CYS 32 1HB CYS 32 8.658 8.085 -1.775
230 2HB CYS 32 2HB CYS 32 7.006 7.752 -2.254
231 H LYS 33 H LYS 33 5.540 8.270 -0.551
232 HA LYS 33 HA LYS 33 6.577 8.123 2.164
233 1HB LYS 33 1HB LYS 33 4.452 8.946 3.159
234 2HB LYS 33 2HB LYS 33 5.393 10.191 2.356
235 1HG LYS 33 1HG LYS 33 3.676 9.203 0.309
236 2HG LYS 33 2HG LYS 33 2.713 9.152 1.759
237 1HD LYS 33 1HD LYS 33 2.379 11.303 0.761
238 2HD LYS 33 2HD LYS 33 3.422 11.609 2.157
239 1HE LYS 33 1HE LYS 33 5.414 11.603 0.637
240 2HE LYS 33 2HE LYS 33 4.361 11.232 -0.741
241 1HZ LYS 33 1HZ LYS 33 4.934 13.510 -0.623
242 2HZ LYS 33 2HZ LYS 33 3.309 13.332 -0.406
243 3HZ LYS 33 3HZ LYS 33 4.278 13.673 0.884
244 H ILE 34 H ILE 34 4.927 6.648 3.439
245 HA ILE 34 HA ILE 34 4.274 4.409 1.558
246 HB ILE 34 HB ILE 34 5.775 4.317 4.184
247 1HG1 ILE 34 1HG1 ILE 34 7.087 5.589 2.463
248 2HG1 ILE 34 2HG1 ILE 34 7.805 4.115 3.057
249 1HG2 ILE 34 1HG2 ILE 34 5.246 2.217 2.044
250 2HG2 ILE 34 2HG2 ILE 34 6.428 2.032 3.360
251 3HG2 ILE 34 3HG2 ILE 34 4.707 2.212 3.730
252 1HD1 ILE 34 1HD1 ILE 34 7.095 2.957 0.940
253 2HD1 ILE 34 2HD1 ILE 34 6.523 4.529 0.349
254 3HD1 ILE 34 3HD1 ILE 34 8.224 4.304 0.733
255 H ILE 35 H ILE 35 2.324 3.485 1.880
256 HA ILE 35 HA ILE 35 1.100 3.583 4.603
257 HB ILE 35 HB ILE 35 -1.039 3.739 3.630
258 1HG1 ILE 35 1HG1 ILE 35 0.333 3.872 0.921
259 2HG1 ILE 35 2HG1 ILE 35 -0.612 2.521 1.526
260 1HG2 ILE 35 1HG2 ILE 35 -1.011 6.055 2.968
261 2HG2 ILE 35 2HG2 ILE 35 0.293 5.822 4.133
262 3HG2 ILE 35 3HG2 ILE 35 0.667 5.942 2.400
263 1HD1 ILE 35 1HD1 ILE 35 -1.987 3.770 0.078
264 2HD1 ILE 35 2HD1 ILE 35 -2.603 3.977 1.734
265 3HD1 ILE 35 3HD1 ILE 35 -1.686 5.289 0.945
266 H SER 36 H SER 36 -0.467 1.818 4.950
267 HA SER 36 HA SER 36 0.382 -0.777 4.041
268 1HB SER 36 1HB SER 36 -2.064 0.227 5.568
269 2HB SER 36 2HB SER 36 -1.570 -1.462 5.384
270 HG SER 36 HG SER 36 -0.827 -0.549 7.349
271 H GLY 37 H GLY 37 -2.147 1.547 3.290
272 1HA GLY 37 1HA GLY 37 -4.058 0.007 2.007
273 2HA GLY 37 2HA GLY 37 -3.758 1.703 1.642
274 H SER 38 H SER 38 -4.333 -0.939 0.098
275 HA SER 38 HA SER 38 -2.285 -1.673 -1.588
276 1HB SER 38 1HB SER 38 -5.268 -1.475 -2.212
277 2HB SER 38 2HB SER 38 -4.076 -2.532 -2.993
278 HG SER 38 HG SER 38 -5.242 -3.607 -1.347
279 H THR 39 H THR 39 -4.670 0.963 -1.991
280 HA THR 39 HA THR 39 -2.982 2.135 -4.155
281 HB THR 39 HB THR 39 -5.134 1.544 -5.004
282 HG1 THR 39 HG1 THR 39 -5.691 3.635 -5.730
283 1HG2 THR 39 1HG2 THR 39 -7.214 2.634 -4.234
284 2HG2 THR 39 2HG2 THR 39 -6.532 1.644 -2.935
285 3HG2 THR 39 3HG2 THR 39 -6.340 3.412 -2.903
286 H CYS 40 H CYS 40 -2.757 4.328 -4.154
287 HA CYS 40 HA CYS 40 -2.420 5.566 -1.481
288 1HB CYS 40 1HB CYS 40 -1.299 6.038 -4.264
289 2HB CYS 40 2HB CYS 40 -0.936 7.083 -2.906
290 HA PRO 41 HA PRO 41 -5.535 8.632 -2.381
291 1HB PRO 41 1HB PRO 41 -4.475 11.006 -1.503
292 2HB PRO 41 2HB PRO 41 -4.989 9.703 -0.407
293 1HG PRO 41 1HG PRO 41 -2.187 10.173 -1.478
294 2HG PRO 41 2HG PRO 41 -2.684 10.022 0.236
295 1HD PRO 41 1HD PRO 41 -1.712 7.918 -1.088
296 2HD PRO 41 2HD PRO 41 -3.160 7.684 -0.077
297 H SER 42 H SER 42 -5.950 10.647 -3.579
298 HA SER 42 HA SER 42 -5.035 10.377 -6.239
299 1HB SER 42 1HB SER 42 -6.477 12.391 -6.617
300 2HB SER 42 2HB SER 42 -7.278 11.091 -5.716
301 HG SER 42 HG SER 42 -6.068 13.396 -4.580
302 H ASP 43 H ASP 43 -3.678 12.274 -3.614
303 HA ASP 43 HA ASP 43 -2.344 14.147 -5.428
304 1HB ASP 43 1HB ASP 43 -1.550 15.201 -3.406
305 2HB ASP 43 2HB ASP 43 -3.309 15.070 -3.458
306 H TYR 44 H TYR 44 -1.596 11.107 -3.747
307 HA TYR 44 HA TYR 44 1.163 11.290 -4.879
308 1HB TYR 44 1HB TYR 44 0.491 9.821 -2.339
309 2HB TYR 44 2HB TYR 44 2.067 10.268 -2.974
310 HD1 TYR 44 HD1 TYR 44 -0.172 10.965 -0.428
311 HD2 TYR 44 HD2 TYR 44 2.222 13.018 -3.365
312 HE1 TYR 44 HE1 TYR 44 -0.353 13.042 0.884
313 HE2 TYR 44 HE2 TYR 44 1.979 15.124 -2.086
314 HH TYR 44 HH TYR 44 0.033 15.327 0.901
315 HA PRO 45 HA PRO 45 -1.540 7.569 -5.960
316 1HB PRO 45 1HB PRO 45 -1.811 7.784 -8.665
317 2HB PRO 45 2HB PRO 45 -2.811 8.698 -7.500
318 1HG PRO 45 1HG PRO 45 -0.309 9.662 -8.911
319 2HG PRO 45 2HG PRO 45 -1.897 10.480 -8.828
320 1HD PRO 45 1HD PRO 45 0.094 11.134 -7.102
321 2HD PRO 45 2HD PRO 45 -1.603 10.999 -6.553
322 H LYS 46 H LYS 46 1.537 8.711 -7.345
323 HA LYS 46 HA LYS 46 1.983 6.214 -8.819
324 1HB LYS 46 1HB LYS 46 3.817 8.613 -8.456
325 2HB LYS 46 2HB LYS 46 3.990 7.307 -9.632
326 1HG LYS 46 1HG LYS 46 1.870 9.469 -9.574
327 2HG LYS 46 2HG LYS 46 3.163 9.226 -10.751
328 1HD LYS 46 1HD LYS 46 2.117 6.972 -11.321
329 2HD LYS 46 2HD LYS 46 0.704 7.475 -10.374
330 1HE LYS 46 1HE LYS 46 1.862 8.885 -12.824
331 2HE LYS 46 2HE LYS 46 0.372 7.931 -12.763
332 1HZ LYS 46 1HZ LYS 46 -0.519 9.540 -11.236
333 2HZ LYS 46 2HZ LYS 46 0.867 10.433 -11.308
334 3HZ LYS 46 3HZ LYS 46 -0.069 10.257 -12.651
Start of MODEL 4
1 1H LYS 1 1H LYS 1 0.714 -0.387 0.188
2 2H LYS 1 2H LYS 1 1.507 0.718 1.123
3 3H LYS 1 3H LYS 1 0.511 1.217 -0.083
4 HA LYS 1 HA LYS 1 2.956 -0.343 -0.456
5 1HB LYS 1 1HB LYS 1 2.732 0.089 -2.815
6 2HB LYS 1 2HB LYS 1 1.260 -0.678 -2.222
7 1HG LYS 1 1HG LYS 1 0.029 1.406 -2.311
8 2HG LYS 1 2HG LYS 1 1.497 2.341 -2.576
9 1HD LYS 1 1HD LYS 1 1.832 1.044 -4.762
10 2HD LYS 1 2HD LYS 1 0.225 0.357 -4.487
11 1HE LYS 1 1HE LYS 1 -0.154 2.197 -5.934
12 2HE LYS 1 2HE LYS 1 -0.615 2.789 -4.331
13 1HZ LYS 1 1HZ LYS 1 1.685 3.729 -4.238
14 2HZ LYS 1 2HZ LYS 1 1.848 3.371 -5.834
15 3HZ LYS 1 3HZ LYS 1 0.688 4.417 -5.354
16 H SER 2 H SER 2 4.473 1.036 -2.020
17 HA SER 2 HA SER 2 5.249 3.480 -0.673
18 1HB SER 2 1HB SER 2 6.118 2.241 -3.309
19 2HB SER 2 2HB SER 2 6.875 3.650 -2.536
20 HG SER 2 HG SER 2 6.644 1.063 -1.380
21 H CYS 3 H CYS 3 5.059 5.565 -1.467
22 HA CYS 3 HA CYS 3 2.668 6.013 -3.194
23 1HB CYS 3 1HB CYS 3 2.605 5.459 -0.543
24 2HB CYS 3 2HB CYS 3 2.965 7.157 -0.401
25 H CYS 4 H CYS 4 3.540 7.340 -4.738
26 HA CYS 4 HA CYS 4 5.437 9.465 -3.877
27 1HB CYS 4 1HB CYS 4 5.355 7.841 -6.429
28 2HB CYS 4 2HB CYS 4 6.378 9.233 -6.180
29 HA PRO 5 HA PRO 5 2.632 12.433 -5.413
30 1HB PRO 5 1HB PRO 5 4.305 14.526 -6.044
31 2HB PRO 5 2HB PRO 5 3.963 14.009 -4.376
32 1HG PRO 5 1HG PRO 5 6.343 13.240 -6.083
33 2HG PRO 5 2HG PRO 5 6.341 13.836 -4.397
34 1HD PRO 5 1HD PRO 5 6.503 11.212 -4.953
35 2HD PRO 5 2HD PRO 5 5.483 11.776 -3.597
36 H ASN 6 H ASN 6 5.362 11.622 -7.562
37 HA ASN 6 HA ASN 6 3.663 11.829 -9.917
38 1HB ASN 6 1HB ASN 6 5.190 13.440 -11.097
39 2HB ASN 6 2HB ASN 6 4.173 14.138 -9.841
40 1HD2 ASN 6 1HD2 ASN 6 6.788 15.071 -7.675
41 2HD2 ASN 6 2HD2 ASN 6 5.070 14.963 -7.980
42 H THR 7 H THR 7 4.928 11.350 -11.904
43 HA THR 7 HA THR 7 6.200 8.852 -11.649
44 HB THR 7 HB THR 7 6.275 10.788 -13.998
45 HG1 THR 7 HG1 THR 7 4.376 9.675 -14.585
46 1HG2 THR 7 1HG2 THR 7 7.803 8.854 -14.282
47 2HG2 THR 7 2HG2 THR 7 6.487 7.741 -13.849
48 3HG2 THR 7 3HG2 THR 7 6.393 8.699 -15.342
49 H THR 8 H THR 8 7.566 12.166 -12.041
50 HA THR 8 HA THR 8 10.239 11.312 -12.460
51 HB THR 8 HB THR 8 9.511 13.938 -11.162
52 HG1 THR 8 HG1 THR 8 9.101 14.650 -13.289
53 1HG2 THR 8 1HG2 THR 8 11.566 13.089 -13.261
54 2HG2 THR 8 2HG2 THR 8 11.379 14.719 -12.584
55 3HG2 THR 8 3HG2 THR 8 11.918 13.384 -11.545
56 H GLY 9 H GLY 9 8.388 12.008 -9.529
57 1HA GLY 9 1HA GLY 9 10.529 11.731 -7.633
58 2HA GLY 9 2HA GLY 9 8.792 11.623 -7.313
59 H ARG 10 H ARG 10 7.997 9.454 -8.877
60 HA ARG 10 HA ARG 10 8.793 7.118 -7.511
61 1HB ARG 10 1HB ARG 10 6.701 7.416 -8.755
62 2HB ARG 10 2HB ARG 10 7.583 7.585 -10.266
63 1HG ARG 10 1HG ARG 10 6.591 5.364 -10.039
64 2HG ARG 10 2HG ARG 10 8.347 5.321 -10.214
65 1HD ARG 10 1HD ARG 10 7.622 3.752 -8.536
66 2HD ARG 10 2HD ARG 10 8.584 4.997 -7.749
67 HE ARG 10 HE ARG 10 5.909 5.823 -7.544
68 1HH1 ARG 10 1HH1 ARG 10 4.566 5.306 -5.739
69 2HH1 ARG 10 2HH1 ARG 10 4.945 3.940 -4.733
70 1HH2 ARG 10 1HH2 ARG 10 7.898 3.083 -6.495
71 2HH2 ARG 10 2HH2 ARG 10 6.870 2.675 -5.151
72 H ASN 11 H ASN 11 10.120 8.666 -10.452
73 HA ASN 11 HA ASN 11 11.843 6.448 -11.109
74 1HB ASN 11 1HB ASN 11 12.169 9.393 -11.823
75 2HB ASN 11 2HB ASN 11 13.004 8.033 -12.563
76 1HD2 ASN 11 1HD2 ASN 11 9.965 9.249 -14.549
77 2HD2 ASN 11 2HD2 ASN 11 11.295 10.084 -13.784
78 H ILE 12 H ILE 12 12.384 9.543 -9.265
79 HA ILE 12 HA ILE 12 15.155 8.931 -8.931
80 HB ILE 12 HB ILE 12 13.773 11.196 -8.688
81 1HG1 ILE 12 1HG1 ILE 12 16.132 11.156 -8.939
82 2HG1 ILE 12 2HG1 ILE 12 15.751 12.168 -7.544
83 1HG2 ILE 12 1HG2 ILE 12 14.106 10.405 -5.767
84 2HG2 ILE 12 2HG2 ILE 12 13.665 11.994 -6.407
85 3HG2 ILE 12 3HG2 ILE 12 12.582 10.625 -6.649
86 1HD1 ILE 12 1HD1 ILE 12 16.310 10.125 -6.068
87 2HD1 ILE 12 2HD1 ILE 12 16.933 9.356 -7.542
88 3HD1 ILE 12 3HD1 ILE 12 17.664 10.844 -6.956
89 H TYR 13 H TYR 13 12.272 8.504 -6.854
90 HA TYR 13 HA TYR 13 13.386 7.400 -4.581
91 1HB TYR 13 1HB TYR 13 11.015 7.997 -4.871
92 2HB TYR 13 2HB TYR 13 10.821 6.779 -6.118
93 HD1 TYR 13 HD1 TYR 13 9.841 4.736 -5.516
94 HD2 TYR 13 HD2 TYR 13 11.810 7.126 -2.529
95 HE1 TYR 13 HE1 TYR 13 8.946 3.264 -3.756
96 HE2 TYR 13 HE2 TYR 13 10.921 5.650 -0.753
97 HH TYR 13 HH TYR 13 8.832 2.826 -1.466
98 H ASN 14 H ASN 14 12.436 5.860 -7.659
99 HA ASN 14 HA ASN 14 13.205 3.281 -6.852
100 1HB ASN 14 1HB ASN 14 12.641 4.613 -9.536
101 2HB ASN 14 2HB ASN 14 13.159 2.949 -9.484
102 1HD2 ASN 14 1HD2 ASN 14 9.355 3.294 -9.451
103 2HD2 ASN 14 2HD2 ASN 14 10.561 4.216 -10.319
104 H ALA 15 H ALA 15 14.989 5.856 -8.464
105 HA ALA 15 HA ALA 15 17.219 4.237 -9.306
106 1HB ALA 15 1HB ALA 15 18.379 6.379 -9.597
107 2HB ALA 15 2HB ALA 15 16.742 6.443 -10.281
108 3HB ALA 15 3HB ALA 15 17.086 7.223 -8.722
109 H CYS 16 H CYS 16 16.485 6.171 -6.413
110 HA CYS 16 HA CYS 16 18.913 5.869 -4.989
111 1HB CYS 16 1HB CYS 16 17.089 7.486 -4.475
112 2HB CYS 16 2HB CYS 16 16.047 6.170 -4.040
113 H ARG 17 H ARG 17 15.798 3.998 -4.757
114 HA ARG 17 HA ARG 17 16.691 2.054 -2.988
115 1HB ARG 17 1HB ARG 17 14.658 1.940 -5.247
116 2HB ARG 17 2HB ARG 17 14.777 0.704 -3.994
117 1HG ARG 17 1HG ARG 17 14.526 3.571 -3.050
118 2HG ARG 17 2HG ARG 17 13.117 2.841 -3.829
119 1HD ARG 17 1HD ARG 17 13.160 2.590 -1.359
120 2HD ARG 17 2HD ARG 17 13.039 1.076 -2.279
121 HE ARG 17 HE ARG 17 15.674 2.053 -1.273
122 1HH1 ARG 17 1HH1 ARG 17 16.842 0.645 0.045
123 2HH1 ARG 17 2HH1 ARG 17 16.044 -0.757 0.730
124 1HH2 ARG 17 1HH2 ARG 17 12.992 -0.287 -0.891
125 2HH2 ARG 17 2HH2 ARG 17 13.939 -1.348 0.115
126 H LEU 18 H LEU 18 16.819 1.950 -6.578
127 HA LEU 18 HA LEU 18 17.870 -0.668 -6.810
128 1HB LEU 18 1HB LEU 18 18.016 1.792 -8.586
129 2HB LEU 18 2HB LEU 18 18.672 0.233 -9.084
130 HG LEU 18 HG LEU 18 15.794 0.523 -8.194
131 1HD1 LEU 18 1HD1 LEU 18 15.184 0.683 -10.589
132 2HD1 LEU 18 2HD1 LEU 18 16.181 2.063 -10.103
133 3HD1 LEU 18 3HD1 LEU 18 16.905 0.732 -11.029
134 1HD2 LEU 18 1HD2 LEU 18 15.484 -1.522 -9.571
135 2HD2 LEU 18 2HD2 LEU 18 17.223 -1.548 -9.920
136 3HD2 LEU 18 3HD2 LEU 18 16.636 -1.799 -8.263
137 H THR 19 H THR 19 19.493 2.468 -6.369
138 HA THR 19 HA THR 19 22.160 1.220 -6.411
139 HB THR 19 HB THR 19 22.964 3.484 -5.821
140 HG1 THR 19 HG1 THR 19 20.227 4.192 -6.051
141 1HG2 THR 19 1HG2 THR 19 22.752 2.819 -8.169
142 2HG2 THR 19 2HG2 THR 19 21.068 3.377 -8.205
143 3HG2 THR 19 3HG2 THR 19 22.383 4.540 -7.953
144 H GLY 20 H GLY 20 20.134 0.225 -4.446
145 1HA GLY 20 1HA GLY 20 20.298 -0.809 -2.470
146 2HA GLY 20 2HA GLY 20 22.035 -0.495 -2.546
147 H ALA 21 H ALA 21 19.760 2.216 -2.438
148 HA ALA 21 HA ALA 21 20.820 2.930 0.237
149 1HB ALA 21 1HB ALA 21 19.847 5.158 -0.271
150 2HB ALA 21 2HB ALA 21 21.033 4.606 -1.475
151 3HB ALA 21 3HB ALA 21 19.302 4.508 -1.830
152 HA PRO 22 HA PRO 22 17.200 1.470 2.163
153 1HB PRO 22 1HB PRO 22 17.104 2.839 4.524
154 2HB PRO 22 2HB PRO 22 18.394 1.686 4.104
155 1HG PRO 22 1HG PRO 22 18.442 4.697 3.756
156 2HG PRO 22 2HG PRO 22 19.658 3.684 4.591
157 1HD PRO 22 1HD PRO 22 20.005 4.429 2.012
158 2HD PRO 22 2HD PRO 22 20.420 2.767 2.530
159 H ARG 23 H ARG 23 14.944 1.846 2.650
160 HA ARG 23 HA ARG 23 13.857 3.502 0.785
161 1HB ARG 23 1HB ARG 23 11.793 2.602 1.493
162 2HB ARG 23 2HB ARG 23 13.032 1.363 1.444
163 1HG ARG 23 1HG ARG 23 13.246 1.616 3.986
164 2HG ARG 23 2HG ARG 23 11.812 2.674 3.893
165 1HD ARG 23 1HD ARG 23 11.057 0.502 4.454
166 2HD ARG 23 2HD ARG 23 10.592 0.810 2.764
167 HE ARG 23 HE ARG 23 13.140 -0.529 2.938
168 1HH1 ARG 23 1HH1 ARG 23 13.309 -2.780 2.497
169 2HH1 ARG 23 2HH1 ARG 23 11.876 -3.773 2.450
170 1HH2 ARG 23 1HH2 ARG 23 9.658 -1.146 3.266
171 2HH2 ARG 23 2HH2 ARG 23 9.795 -2.847 2.904
172 HA PRO 24 HA PRO 24 12.147 6.514 4.101
173 1HB PRO 24 1HB PRO 24 13.741 7.228 6.216
174 2HB PRO 24 2HB PRO 24 12.518 5.928 6.285
175 1HG PRO 24 1HG PRO 24 15.489 5.626 5.753
176 2HG PRO 24 2HG PRO 24 14.490 4.738 6.939
177 1HD PRO 24 1HD PRO 24 15.021 3.651 4.573
178 2HD PRO 24 2HD PRO 24 13.377 3.541 5.248
179 H THR 25 H THR 25 15.737 6.336 3.742
180 HA THR 25 HA THR 25 16.175 9.107 3.420
181 HB THR 25 HB THR 25 17.747 6.768 2.245
182 HG1 THR 25 HG1 THR 25 18.911 7.000 4.211
183 1HG2 THR 25 1HG2 THR 25 18.467 8.944 1.312
184 2HG2 THR 25 2HG2 THR 25 18.587 9.617 2.953
185 3HG2 THR 25 3HG2 THR 25 19.679 8.314 2.438
186 H CYS 26 H CYS 26 15.497 6.532 1.041
187 HA CYS 26 HA CYS 26 15.644 8.221 -1.276
188 1HB CYS 26 1HB CYS 26 14.171 5.586 -0.884
189 2HB CYS 26 2HB CYS 26 14.556 6.349 -2.404
190 H ALA 27 H ALA 27 13.033 7.225 0.932
191 HA ALA 27 HA ALA 27 10.847 8.204 -0.559
192 1HB ALA 27 1HB ALA 27 9.614 8.161 1.540
193 2HB ALA 27 2HB ALA 27 10.587 6.698 1.372
194 3HB ALA 27 3HB ALA 27 11.116 7.998 2.462
195 H LYS 28 H LYS 28 13.097 9.872 1.687
196 HA LYS 28 HA LYS 28 11.533 12.392 1.385
197 1HB LYS 28 1HB LYS 28 13.946 11.808 3.079
198 2HB LYS 28 2HB LYS 28 12.957 13.278 3.105
199 1HG LYS 28 1HG LYS 28 12.002 10.465 3.826
200 2HG LYS 28 2HG LYS 28 12.436 11.762 4.933
201 1HD LYS 28 1HD LYS 28 10.172 11.831 4.997
202 2HD LYS 28 2HD LYS 28 10.511 13.125 3.843
203 1HE LYS 28 1HE LYS 28 9.655 11.804 2.015
204 2HE LYS 28 2HE LYS 28 9.896 10.285 2.896
205 1HZ LYS 28 1HZ LYS 28 7.651 10.920 2.704
206 2HZ LYS 28 2HZ LYS 28 8.088 10.917 4.298
207 3HZ LYS 28 3HZ LYS 28 7.907 12.349 3.492
208 H LEU 29 H LEU 29 14.498 10.985 0.110
209 HA LEU 29 HA LEU 29 15.476 13.370 -1.108
210 1HB LEU 29 1HB LEU 29 16.742 11.268 -1.020
211 2HB LEU 29 2HB LEU 29 15.525 10.469 -2.022
212 HG LEU 29 HG LEU 29 16.092 11.928 -3.932
213 1HD1 LEU 29 1HD1 LEU 29 18.217 13.065 -2.055
214 2HD1 LEU 29 2HD1 LEU 29 18.168 13.320 -3.812
215 3HD1 LEU 29 3HD1 LEU 29 16.874 13.964 -2.798
216 1HD2 LEU 29 1HD2 LEU 29 17.228 9.765 -3.610
217 2HD2 LEU 29 2HD2 LEU 29 18.307 10.947 -4.373
218 3HD2 LEU 29 3HD2 LEU 29 18.494 10.559 -2.650
219 H SER 30 H SER 30 12.974 10.974 -2.036
220 HA SER 30 HA SER 30 12.293 12.333 -4.515
221 1HB SER 30 1HB SER 30 10.692 10.504 -4.711
222 2HB SER 30 2HB SER 30 12.297 9.880 -4.272
223 HG SER 30 HG SER 30 11.585 9.760 -2.111
224 H GLY 31 H GLY 31 10.963 12.162 -1.185
225 1HA GLY 31 1HA GLY 31 9.269 13.443 -0.265
226 2HA GLY 31 2HA GLY 31 8.818 14.089 -1.845
227 H CYS 32 H CYS 32 9.310 10.613 -1.740
228 HA CYS 32 HA CYS 32 6.448 10.021 -1.920
229 1HB CYS 32 1HB CYS 32 8.804 8.147 -1.685
230 2HB CYS 32 2HB CYS 32 7.161 7.724 -2.132
231 H LYS 33 H LYS 33 5.748 8.086 -0.442
232 HA LYS 33 HA LYS 33 7.053 7.863 2.144
233 1HB LYS 33 1HB LYS 33 5.119 8.411 3.498
234 2HB LYS 33 2HB LYS 33 5.537 9.790 2.478
235 1HG LYS 33 1HG LYS 33 3.769 8.938 0.826
236 2HG LYS 33 2HG LYS 33 3.286 7.766 2.062
237 1HD LYS 33 1HD LYS 33 1.784 9.587 2.208
238 2HD LYS 33 2HD LYS 33 2.838 9.698 3.632
239 1HE LYS 33 1HE LYS 33 4.140 11.495 2.563
240 2HE LYS 33 2HE LYS 33 3.310 11.214 1.029
241 1HZ LYS 33 1HZ LYS 33 2.407 13.097 2.118
242 2HZ LYS 33 2HZ LYS 33 1.270 11.912 2.115
243 3HZ LYS 33 3HZ LYS 33 2.096 12.248 3.502
244 H ILE 34 H ILE 34 5.606 6.198 3.483
245 HA ILE 34 HA ILE 34 4.650 4.051 1.638
246 HB ILE 34 HB ILE 34 5.781 3.822 4.446
247 1HG1 ILE 34 1HG1 ILE 34 7.563 4.648 2.971
248 2HG1 ILE 34 2HG1 ILE 34 7.832 3.024 3.569
249 1HG2 ILE 34 1HG2 ILE 34 5.080 1.745 2.332
250 2HG2 ILE 34 2HG2 ILE 34 6.004 1.402 3.812
251 3HG2 ILE 34 3HG2 ILE 34 4.334 1.972 3.922
252 1HD1 ILE 34 1HD1 ILE 34 8.519 3.161 1.267
253 2HD1 ILE 34 2HD1 ILE 34 7.099 2.109 1.337
254 3HD1 ILE 34 3HD1 ILE 34 6.944 3.791 0.766
255 H ILE 35 H ILE 35 2.535 3.421 1.925
256 HA ILE 35 HA ILE 35 1.142 4.176 4.457
257 HB ILE 35 HB ILE 35 -0.874 4.399 3.249
258 1HG1 ILE 35 1HG1 ILE 35 0.621 4.215 0.608
259 2HG1 ILE 35 2HG1 ILE 35 -0.228 2.839 1.321
260 1HG2 ILE 35 1HG2 ILE 35 -0.464 6.569 2.219
261 2HG2 ILE 35 2HG2 ILE 35 0.603 6.379 3.614
262 3HG2 ILE 35 3HG2 ILE 35 1.248 6.177 1.973
263 1HD1 ILE 35 1HD1 ILE 35 -1.709 3.856 -0.213
264 2HD1 ILE 35 2HD1 ILE 35 -2.325 4.145 1.425
265 3HD1 ILE 35 3HD1 ILE 35 -1.520 5.458 0.536
266 H SER 36 H SER 36 -0.560 2.712 5.091
267 HA SER 36 HA SER 36 0.011 -0.068 4.771
268 1HB SER 36 1HB SER 36 -2.400 1.429 5.899
269 2HB SER 36 2HB SER 36 -1.998 -0.274 6.166
270 HG SER 36 HG SER 36 -0.043 0.443 7.144
271 H GLY 37 H GLY 37 -2.176 2.244 3.284
272 1HA GLY 37 1HA GLY 37 -4.159 0.559 2.243
273 2HA GLY 37 2HA GLY 37 -3.707 2.121 1.564
274 H SER 38 H SER 38 -4.400 -0.667 0.460
275 HA SER 38 HA SER 38 -2.244 -1.804 -0.936
276 1HB SER 38 1HB SER 38 -4.121 -2.658 -2.386
277 2HB SER 38 2HB SER 38 -4.343 -2.950 -0.652
278 HG SER 38 HG SER 38 -6.231 -2.121 -1.652
279 H THR 39 H THR 39 -4.612 0.704 -1.872
280 HA THR 39 HA THR 39 -2.745 1.661 -3.995
281 HB THR 39 HB THR 39 -4.819 0.921 -4.941
282 HG1 THR 39 HG1 THR 39 -5.319 2.894 -5.971
283 1HG2 THR 39 1HG2 THR 39 -6.959 2.070 -4.489
284 2HG2 THR 39 2HG2 THR 39 -6.382 1.261 -3.024
285 3HG2 THR 39 3HG2 THR 39 -6.202 3.021 -3.199
286 H CYS 40 H CYS 40 -2.650 3.889 -4.273
287 HA CYS 40 HA CYS 40 -2.632 5.463 -1.752
288 1HB CYS 40 1HB CYS 40 -1.064 5.521 -4.341
289 2HB CYS 40 2HB CYS 40 -1.127 6.897 -3.250
290 HA PRO 41 HA PRO 41 -5.812 8.060 -3.449
291 1HB PRO 41 1HB PRO 41 -5.391 10.464 -2.298
292 2HB PRO 41 2HB PRO 41 -5.742 9.032 -1.308
293 1HG PRO 41 1HG PRO 41 -2.983 10.107 -1.997
294 2HG PRO 41 2HG PRO 41 -3.641 9.816 -0.362
295 1HD PRO 41 1HD PRO 41 -2.143 7.948 -1.592
296 2HD PRO 41 2HD PRO 41 -3.601 7.445 -0.694
297 H SER 42 H SER 42 -6.140 10.236 -4.575
298 HA SER 42 HA SER 42 -4.746 10.354 -6.985
299 1HB SER 42 1HB SER 42 -6.351 12.556 -5.621
300 2HB SER 42 2HB SER 42 -6.005 12.422 -7.358
301 HG SER 42 HG SER 42 -7.136 10.409 -7.309
302 H ASP 43 H ASP 43 -4.023 12.011 -3.920
303 HA ASP 43 HA ASP 43 -2.179 13.899 -5.139
304 1HB ASP 43 1HB ASP 43 -1.748 14.557 -2.792
305 2HB ASP 43 2HB ASP 43 -3.432 14.672 -3.304
306 H TYR 44 H TYR 44 -1.872 10.575 -4.220
307 HA TYR 44 HA TYR 44 1.010 10.853 -4.865
308 1HB TYR 44 1HB TYR 44 -0.128 9.062 -2.710
309 2HB TYR 44 2HB TYR 44 1.484 8.942 -3.390
310 HD1 TYR 44 HD1 TYR 44 -0.675 10.846 -1.109
311 HD2 TYR 44 HD2 TYR 44 3.192 10.699 -2.985
312 HE1 TYR 44 HE1 TYR 44 0.061 12.794 0.238
313 HE2 TYR 44 HE2 TYR 44 3.901 12.693 -1.713
314 HH TYR 44 HH TYR 44 3.264 14.325 -0.213
315 HA PRO 45 HA PRO 45 -1.788 8.243 -7.452
316 1HB PRO 45 1HB PRO 45 -1.263 9.203 -9.943
317 2HB PRO 45 2HB PRO 45 -2.231 10.110 -8.747
318 1HG PRO 45 1HG PRO 45 0.727 10.431 -9.333
319 2HG PRO 45 2HG PRO 45 -0.520 11.712 -9.280
320 1HD PRO 45 1HD PRO 45 1.072 11.109 -7.137
321 2HD PRO 45 2HD PRO 45 -0.616 11.627 -6.920
322 H LYS 46 H LYS 46 1.631 8.228 -7.164
323 HA LYS 46 HA LYS 46 1.886 5.929 -9.064
324 1HB LYS 46 1HB LYS 46 3.907 7.986 -8.120
325 2HB LYS 46 2HB LYS 46 4.322 6.565 -9.071
326 1HG LYS 46 1HG LYS 46 2.535 8.895 -9.889
327 2HG LYS 46 2HG LYS 46 4.168 8.566 -10.449
328 1HD LYS 46 1HD LYS 46 1.678 6.930 -11.114
329 2HD LYS 46 2HD LYS 46 2.575 8.030 -12.150
330 1HE LYS 46 1HE LYS 46 3.358 5.988 -12.872
331 2HE LYS 46 2HE LYS 46 4.635 6.494 -11.758
332 1HZ LYS 46 1HZ LYS 46 2.426 4.631 -11.176
333 2HZ LYS 46 2HZ LYS 46 3.990 4.208 -11.465
334 3HZ LYS 46 3HZ LYS 46 3.601 5.050 -10.106
Start of MODEL 5
1 1H LYS 1 1H LYS 1 -0.690 0.384 -0.661
2 2H LYS 1 2H LYS 1 0.330 1.239 0.308
3 3H LYS 1 3H LYS 1 -0.377 1.975 -0.979
4 HA LYS 1 HA LYS 1 1.570 -0.206 -1.058
5 1HB LYS 1 1HB LYS 1 1.577 0.025 -3.479
6 2HB LYS 1 2HB LYS 1 -0.051 -0.327 -2.903
7 1HG LYS 1 1HG LYS 1 -0.678 2.058 -3.117
8 2HG LYS 1 2HG LYS 1 0.983 2.433 -3.604
9 1HD LYS 1 1HD LYS 1 0.689 0.937 -5.607
10 2HD LYS 1 2HD LYS 1 -1.009 0.747 -5.136
11 1HE LYS 1 1HE LYS 1 -0.923 2.488 -6.798
12 2HE LYS 1 2HE LYS 1 -1.250 3.273 -5.247
13 1HZ LYS 1 1HZ LYS 1 1.341 3.122 -6.631
14 2HZ LYS 1 2HZ LYS 1 0.391 4.456 -6.478
15 3HZ LYS 1 3HZ LYS 1 1.133 3.810 -5.156
16 H SER 2 H SER 2 3.252 1.059 -2.998
17 HA SER 2 HA SER 2 4.525 3.120 -1.382
18 1HB SER 2 1HB SER 2 5.274 2.063 -4.137
19 2HB SER 2 2HB SER 2 6.297 3.020 -3.041
20 HG SER 2 HG SER 2 6.724 0.766 -2.927
21 H CYS 3 H CYS 3 4.723 5.288 -1.939
22 HA CYS 3 HA CYS 3 2.523 6.304 -3.684
23 1HB CYS 3 1HB CYS 3 3.242 6.815 -0.758
24 2HB CYS 3 2HB CYS 3 2.030 7.710 -1.651
25 H CYS 4 H CYS 4 3.567 7.477 -5.204
26 HA CYS 4 HA CYS 4 5.503 9.548 -4.271
27 1HB CYS 4 1HB CYS 4 5.398 8.014 -6.886
28 2HB CYS 4 2HB CYS 4 6.361 9.465 -6.642
29 HA PRO 5 HA PRO 5 2.625 12.548 -5.844
30 1HB PRO 5 1HB PRO 5 4.302 14.577 -6.616
31 2HB PRO 5 2HB PRO 5 3.952 14.179 -4.923
32 1HG PRO 5 1HG PRO 5 6.348 13.283 -6.535
33 2HG PRO 5 2HG PRO 5 6.323 13.996 -4.897
34 1HD PRO 5 1HD PRO 5 6.490 11.339 -5.274
35 2HD PRO 5 2HD PRO 5 5.466 11.985 -3.960
36 H ASN 6 H ASN 6 5.444 11.730 -7.913
37 HA ASN 6 HA ASN 6 3.750 11.661 -10.304
38 1HB ASN 6 1HB ASN 6 5.236 13.254 -11.532
39 2HB ASN 6 2HB ASN 6 4.208 13.988 -10.303
40 1HD2 ASN 6 1HD2 ASN 6 6.818 15.079 -8.213
41 2HD2 ASN 6 2HD2 ASN 6 5.103 14.973 -8.533
42 H THR 7 H THR 7 5.111 11.144 -12.236
43 HA THR 7 HA THR 7 6.405 8.672 -11.777
44 HB THR 7 HB THR 7 6.412 10.413 -14.277
45 HG1 THR 7 HG1 THR 7 4.324 9.942 -13.577
46 1HG2 THR 7 1HG2 THR 7 8.065 8.582 -14.432
47 2HG2 THR 7 2HG2 THR 7 6.844 7.413 -13.881
48 3HG2 THR 7 3HG2 THR 7 6.659 8.229 -15.448
49 H THR 8 H THR 8 7.700 11.981 -12.336
50 HA THR 8 HA THR 8 10.401 11.188 -12.696
51 HB THR 8 HB THR 8 9.592 13.823 -11.467
52 HG1 THR 8 HG1 THR 8 9.190 14.479 -13.614
53 1HG2 THR 8 1HG2 THR 8 11.692 12.983 -13.522
54 2HG2 THR 8 2HG2 THR 8 11.454 14.621 -12.882
55 3HG2 THR 8 3HG2 THR 8 12.014 13.322 -11.808
56 H GLY 9 H GLY 9 8.473 11.874 -9.815
57 1HA GLY 9 1HA GLY 9 10.580 11.686 -7.869
58 2HA GLY 9 2HA GLY 9 8.842 11.522 -7.587
59 H ARG 10 H ARG 10 8.173 9.308 -9.174
60 HA ARG 10 HA ARG 10 9.032 7.034 -7.721
61 1HB ARG 10 1HB ARG 10 6.938 7.203 -9.013
62 2HB ARG 10 2HB ARG 10 7.849 7.347 -10.513
63 1HG ARG 10 1HG ARG 10 6.943 5.100 -10.224
64 2HG ARG 10 2HG ARG 10 8.703 5.116 -10.339
65 1HD ARG 10 1HD ARG 10 7.985 3.588 -8.594
66 2HD ARG 10 2HD ARG 10 8.858 4.922 -7.855
67 HE ARG 10 HE ARG 10 5.961 5.326 -7.963
68 1HH1 ARG 10 1HH1 ARG 10 4.780 5.275 -6.013
69 2HH1 ARG 10 2HH1 ARG 10 5.503 4.598 -4.578
70 1HH2 ARG 10 1HH2 ARG 10 8.511 3.643 -6.162
71 2HH2 ARG 10 2HH2 ARG 10 7.617 3.629 -4.666
72 H ASN 11 H ASN 11 10.344 8.571 -10.651
73 HA ASN 11 HA ASN 11 12.166 6.417 -11.245
74 1HB ASN 11 1HB ASN 11 12.386 9.361 -11.993
75 2HB ASN 11 2HB ASN 11 13.284 8.025 -12.704
76 1HD2 ASN 11 1HD2 ASN 11 10.226 9.082 -14.751
77 2HD2 ASN 11 2HD2 ASN 11 11.515 9.982 -13.990
78 H ILE 12 H ILE 12 12.550 9.553 -9.434
79 HA ILE 12 HA ILE 12 15.331 9.052 -9.028
80 HB ILE 12 HB ILE 12 13.865 11.265 -8.874
81 1HG1 ILE 12 1HG1 ILE 12 16.230 11.310 -9.057
82 2HG1 ILE 12 2HG1 ILE 12 15.772 12.339 -7.699
83 1HG2 ILE 12 1HG2 ILE 12 14.147 10.568 -5.929
84 2HG2 ILE 12 2HG2 ILE 12 13.651 12.116 -6.626
85 3HG2 ILE 12 3HG2 ILE 12 12.639 10.692 -6.857
86 1HD1 ILE 12 1HD1 ILE 12 16.363 10.352 -6.158
87 2HD1 ILE 12 2HD1 ILE 12 17.056 9.575 -7.596
88 3HD1 ILE 12 3HD1 ILE 12 17.714 11.102 -7.024
89 H TYR 13 H TYR 13 12.432 8.598 -6.949
90 HA TYR 13 HA TYR 13 13.540 7.517 -4.675
91 1HB TYR 13 1HB TYR 13 11.159 8.031 -5.013
92 2HB TYR 13 2HB TYR 13 11.024 6.787 -6.245
93 HD1 TYR 13 HD1 TYR 13 10.618 4.491 -5.661
94 HD2 TYR 13 HD2 TYR 13 11.525 7.407 -2.640
95 HE1 TYR 13 HE1 TYR 13 9.815 2.933 -3.920
96 HE2 TYR 13 HE2 TYR 13 10.703 5.868 -0.888
97 HH TYR 13 HH TYR 13 9.991 3.723 -0.420
98 H ASN 14 H ASN 14 12.710 5.929 -7.773
99 HA ASN 14 HA ASN 14 13.531 3.384 -6.906
100 1HB ASN 14 1HB ASN 14 12.964 4.640 -9.621
101 2HB ASN 14 2HB ASN 14 13.556 3.003 -9.529
102 1HD2 ASN 14 1HD2 ASN 14 9.738 3.168 -9.547
103 2HD2 ASN 14 2HD2 ASN 14 10.913 4.118 -10.429
104 H ALA 15 H ALA 15 15.279 5.990 -8.496
105 HA ALA 15 HA ALA 15 17.584 4.444 -9.260
106 1HB ALA 15 1HB ALA 15 17.092 6.660 -10.213
107 2HB ALA 15 2HB ALA 15 17.375 7.415 -8.631
108 3HB ALA 15 3HB ALA 15 18.707 6.606 -9.478
109 H CYS 16 H CYS 16 16.715 6.345 -6.381
110 HA CYS 16 HA CYS 16 19.078 6.033 -4.855
111 1HB CYS 16 1HB CYS 16 17.249 7.640 -4.381
112 2HB CYS 16 2HB CYS 16 16.173 6.329 -4.037
113 H ARG 17 H ARG 17 15.982 4.138 -4.793
114 HA ARG 17 HA ARG 17 16.770 2.194 -2.978
115 1HB ARG 17 1HB ARG 17 14.884 2.070 -5.358
116 2HB ARG 17 2HB ARG 17 14.932 0.834 -4.103
117 1HG ARG 17 1HG ARG 17 14.627 3.685 -3.149
118 2HG ARG 17 2HG ARG 17 13.268 2.992 -4.041
119 1HD ARG 17 1HD ARG 17 13.204 2.731 -1.539
120 2HD ARG 17 2HD ARG 17 12.982 1.267 -2.513
121 HE ARG 17 HE ARG 17 15.623 2.036 -1.321
122 1HH1 ARG 17 1HH1 ARG 17 16.670 0.492 -0.081
123 2HH1 ARG 17 2HH1 ARG 17 15.808 -0.954 0.409
124 1HH2 ARG 17 1HH2 ARG 17 12.909 -0.306 -1.411
125 2HH2 ARG 17 2HH2 ARG 17 13.763 -1.457 -0.420
126 H LEU 18 H LEU 18 17.170 2.141 -6.548
127 HA LEU 18 HA LEU 18 18.267 -0.470 -6.726
128 1HB LEU 18 1HB LEU 18 18.507 2.008 -8.465
129 2HB LEU 18 2HB LEU 18 19.229 0.465 -8.921
130 HG LEU 18 HG LEU 18 16.289 0.691 -8.246
131 1HD1 LEU 18 1HD1 LEU 18 16.772 2.263 -10.101
132 2HD1 LEU 18 2HD1 LEU 18 17.598 0.966 -10.989
133 3HD1 LEU 18 3HD1 LEU 18 15.851 0.867 -10.679
134 1HD2 LEU 18 1HD2 LEU 18 16.121 -1.341 -9.666
135 2HD2 LEU 18 2HD2 LEU 18 17.880 -1.327 -9.891
136 3HD2 LEU 18 3HD2 LEU 18 17.184 -1.613 -8.283
137 H THR 19 H THR 19 19.793 2.686 -6.088
138 HA THR 19 HA THR 19 22.472 1.475 -5.912
139 HB THR 19 HB THR 19 23.152 3.748 -5.153
140 HG1 THR 19 HG1 THR 19 20.885 4.193 -4.391
141 1HG2 THR 19 1HG2 THR 19 22.811 4.836 -7.318
142 2HG2 THR 19 2HG2 THR 19 23.230 3.126 -7.533
143 3HG2 THR 19 3HG2 THR 19 21.550 3.663 -7.744
144 H GLY 20 H GLY 20 20.301 0.373 -4.184
145 1HA GLY 20 1HA GLY 20 20.309 -0.730 -2.240
146 2HA GLY 20 2HA GLY 20 22.034 -0.363 -2.136
147 H ALA 21 H ALA 21 19.696 2.291 -2.142
148 HA ALA 21 HA ALA 21 20.431 2.889 0.672
149 1HB ALA 21 1HB ALA 21 19.467 5.133 0.133
150 2HB ALA 21 2HB ALA 21 20.850 4.658 -0.877
151 3HB ALA 21 3HB ALA 21 19.209 4.545 -1.524
152 HA PRO 22 HA PRO 22 16.568 1.342 2.008
153 1HB PRO 22 1HB PRO 22 16.259 2.403 4.471
154 2HB PRO 22 2HB PRO 22 17.650 1.373 4.056
155 1HG PRO 22 1HG PRO 22 17.574 4.407 3.999
156 2HG PRO 22 2HG PRO 22 18.735 3.368 4.882
157 1HD PRO 22 1HD PRO 22 19.329 4.334 2.417
158 2HD PRO 22 2HD PRO 22 19.764 2.656 2.863
159 H ARG 23 H ARG 23 14.287 1.819 2.534
160 HA ARG 23 HA ARG 23 13.194 3.589 0.749
161 1HB ARG 23 1HB ARG 23 11.891 2.337 3.198
162 2HB ARG 23 2HB ARG 23 11.063 3.179 1.886
163 1HG ARG 23 1HG ARG 23 12.006 1.543 0.262
164 2HG ARG 23 2HG ARG 23 12.742 0.639 1.612
165 1HD ARG 23 1HD ARG 23 10.523 0.260 2.600
166 2HD ARG 23 2HD ARG 23 9.818 1.348 1.392
167 HE ARG 23 HE ARG 23 11.227 -0.940 0.254
168 1HH1 ARG 23 1HH1 ARG 23 9.997 -2.481 -0.919
169 2HH1 ARG 23 2HH1 ARG 23 8.261 -2.522 -0.760
170 1HH2 ARG 23 1HH2 ARG 23 8.091 0.161 1.528
171 2HH2 ARG 23 2HH2 ARG 23 7.175 -1.011 0.620
172 HA PRO 24 HA PRO 24 12.010 6.620 4.333
173 1HB PRO 24 1HB PRO 24 14.523 6.448 5.997
174 2HB PRO 24 2HB PRO 24 12.856 6.825 6.518
175 1HG PRO 24 1HG PRO 24 13.857 4.351 6.941
176 2HG PRO 24 2HG PRO 24 12.206 4.515 6.266
177 1HD PRO 24 1HD PRO 24 14.791 4.067 4.755
178 2HD PRO 24 2HD PRO 24 13.279 3.123 4.654
179 H THR 25 H THR 25 15.508 6.264 3.590
180 HA THR 25 HA THR 25 16.058 9.054 3.391
181 HB THR 25 HB THR 25 17.516 6.675 2.142
182 HG1 THR 25 HG1 THR 25 18.724 6.801 4.081
183 1HG2 THR 25 1HG2 THR 25 18.310 8.840 1.239
184 2HG2 THR 25 2HG2 THR 25 18.491 9.471 2.891
185 3HG2 THR 25 3HG2 THR 25 19.516 8.135 2.327
186 H CYS 26 H CYS 26 15.346 6.550 0.955
187 HA CYS 26 HA CYS 26 15.603 8.282 -1.319
188 1HB CYS 26 1HB CYS 26 14.118 5.638 -1.007
189 2HB CYS 26 2HB CYS 26 14.558 6.393 -2.513
190 H ALA 27 H ALA 27 12.946 7.298 0.763
191 HA ALA 27 HA ALA 27 10.732 8.295 -0.677
192 1HB ALA 27 1HB ALA 27 11.184 8.102 2.325
193 2HB ALA 27 2HB ALA 27 9.634 8.404 1.534
194 3HB ALA 27 3HB ALA 27 10.451 6.868 1.277
195 H LYS 28 H LYS 28 12.980 9.919 1.640
196 HA LYS 28 HA LYS 28 11.488 12.463 1.202
197 1HB LYS 28 1HB LYS 28 13.646 11.718 3.172
198 2HB LYS 28 2HB LYS 28 12.840 13.293 3.077
199 1HG LYS 28 1HG LYS 28 11.448 10.621 3.605
200 2HG LYS 28 2HG LYS 28 11.873 11.848 4.800
201 1HD LYS 28 1HD LYS 28 9.741 12.537 4.531
202 2HD LYS 28 2HD LYS 28 10.419 13.423 3.171
203 1HE LYS 28 1HE LYS 28 8.413 12.348 2.383
204 2HE LYS 28 2HE LYS 28 9.718 11.426 1.689
205 1HZ LYS 28 1HZ LYS 28 9.476 9.835 3.463
206 2HZ LYS 28 2HZ LYS 28 8.177 10.668 4.049
207 3HZ LYS 28 3HZ LYS 28 8.126 9.999 2.535
208 H LEU 29 H LEU 29 14.387 10.999 -0.016
209 HA LEU 29 HA LEU 29 15.482 13.436 -1.083
210 1HB LEU 29 1HB LEU 29 16.716 11.312 -1.052
211 2HB LEU 29 2HB LEU 29 15.503 10.569 -2.101
212 HG LEU 29 HG LEU 29 16.113 12.099 -3.944
213 1HD1 LEU 29 1HD1 LEU 29 18.228 13.130 -1.994
214 2HD1 LEU 29 2HD1 LEU 29 18.209 13.454 -3.740
215 3HD1 LEU 29 3HD1 LEU 29 16.909 14.077 -2.722
216 1HD2 LEU 29 1HD2 LEU 29 18.321 11.107 -4.399
217 2HD2 LEU 29 2HD2 LEU 29 18.479 10.644 -2.691
218 3HD2 LEU 29 3HD2 LEU 29 17.214 9.912 -3.699
219 H SER 30 H SER 30 12.997 11.080 -2.144
220 HA SER 30 HA SER 30 12.445 12.470 -4.624
221 1HB SER 30 1HB SER 30 10.943 10.604 -4.990
222 2HB SER 30 2HB SER 30 12.492 10.005 -4.361
223 HG SER 30 HG SER 30 11.433 10.072 -2.237
224 H GLY 31 H GLY 31 10.904 12.330 -1.405
225 1HA GLY 31 1HA GLY 31 9.112 13.619 -0.643
226 2HA GLY 31 2HA GLY 31 8.652 14.053 -2.291
227 H CYS 32 H CYS 32 9.362 10.693 -2.170
228 HA CYS 32 HA CYS 32 6.562 9.926 -2.300
229 1HB CYS 32 1HB CYS 32 9.026 8.203 -2.278
230 2HB CYS 32 2HB CYS 32 7.400 7.711 -2.716
231 H LYS 33 H LYS 33 6.086 7.744 -1.004
232 HA LYS 33 HA LYS 33 7.161 7.368 1.610
233 1HB LYS 33 1HB LYS 33 5.150 8.076 2.888
234 2HB LYS 33 2HB LYS 33 6.024 9.408 2.170
235 1HG LYS 33 1HG LYS 33 4.286 9.155 0.175
236 2HG LYS 33 2HG LYS 33 3.379 8.196 1.345
237 1HD LYS 33 1HD LYS 33 2.532 10.393 1.587
238 2HD LYS 33 2HD LYS 33 3.664 10.234 2.940
239 1HE LYS 33 1HE LYS 33 5.428 11.378 1.461
240 2HE LYS 33 2HE LYS 33 4.170 11.598 0.244
241 1HZ LYS 33 1HZ LYS 33 4.460 13.526 1.599
242 2HZ LYS 33 2HZ LYS 33 2.961 12.908 1.854
243 3HZ LYS 33 3HZ LYS 33 4.143 12.682 2.979
244 H ILE 34 H ILE 34 5.268 5.948 2.808
245 HA ILE 34 HA ILE 34 4.071 4.080 0.809
246 HB ILE 34 HB ILE 34 5.454 3.407 3.427
247 1HG1 ILE 34 1HG1 ILE 34 7.128 4.250 1.753
248 2HG1 ILE 34 2HG1 ILE 34 7.340 2.642 2.390
249 1HG2 ILE 34 1HG2 ILE 34 4.330 1.632 1.232
250 2HG2 ILE 34 2HG2 ILE 34 5.388 1.059 2.542
251 3HG2 ILE 34 3HG2 ILE 34 3.805 1.750 2.919
252 1HD1 ILE 34 1HD1 ILE 34 6.419 3.407 -0.384
253 2HD1 ILE 34 2HD1 ILE 34 7.896 2.572 0.087
254 3HD1 ILE 34 3HD1 ILE 34 6.354 1.728 0.216
255 H ILE 35 H ILE 35 1.925 3.465 1.360
256 HA ILE 35 HA ILE 35 1.196 3.713 4.215
257 HB ILE 35 HB ILE 35 -0.981 4.281 3.822
258 1HG1 ILE 35 1HG1 ILE 35 -0.657 4.836 0.882
259 2HG1 ILE 35 2HG1 ILE 35 -1.171 3.238 1.439
260 1HG2 ILE 35 1HG2 ILE 35 0.689 6.096 4.062
261 2HG2 ILE 35 2HG2 ILE 35 0.744 6.272 2.296
262 3HG2 ILE 35 3HG2 ILE 35 -0.743 6.634 3.186
263 1HD1 ILE 35 1HD1 ILE 35 -3.121 4.698 0.971
264 2HD1 ILE 35 2HD1 ILE 35 -3.052 4.181 2.662
265 3HD1 ILE 35 3HD1 ILE 35 -2.575 5.829 2.207
266 H SER 36 H SER 36 -0.417 2.223 4.908
267 HA SER 36 HA SER 36 0.205 -0.435 3.993
268 1HB SER 36 1HB SER 36 -0.167 0.296 6.375
269 2HB SER 36 2HB SER 36 -1.895 0.456 6.011
270 HG SER 36 HG SER 36 -1.765 -1.791 5.307
271 H GLY 37 H GLY 37 -2.179 1.831 3.068
272 1HA GLY 37 1HA GLY 37 -4.464 0.269 2.508
273 2HA GLY 37 2HA GLY 37 -3.983 1.750 1.671
274 H SER 38 H SER 38 -5.314 -0.352 0.361
275 HA SER 38 HA SER 38 -3.587 -1.984 -1.234
276 1HB SER 38 1HB SER 38 -5.642 -1.974 -2.707
277 2HB SER 38 2HB SER 38 -5.931 -2.488 -1.036
278 HG SER 38 HG SER 38 -7.486 -0.973 -1.775
279 H THR 39 H THR 39 -4.994 1.257 -1.519
280 HA THR 39 HA THR 39 -3.165 1.956 -3.787
281 HB THR 39 HB THR 39 -5.513 2.061 -4.405
282 HG1 THR 39 HG1 THR 39 -4.745 4.732 -4.062
283 1HG2 THR 39 1HG2 THR 39 -5.861 4.055 -2.117
284 2HG2 THR 39 2HG2 THR 39 -7.052 3.705 -3.382
285 3HG2 THR 39 3HG2 THR 39 -6.606 2.445 -2.225
286 H CYS 40 H CYS 40 -2.854 4.400 -3.736
287 HA CYS 40 HA CYS 40 -1.989 5.411 -1.081
288 1HB CYS 40 1HB CYS 40 -1.365 6.099 -3.979
289 2HB CYS 40 2HB CYS 40 -0.799 7.065 -2.631
290 HA PRO 41 HA PRO 41 -5.233 8.573 -1.507
291 1HB PRO 41 1HB PRO 41 -3.978 10.911 -0.828
292 2HB PRO 41 2HB PRO 41 -4.364 9.652 0.371
293 1HG PRO 41 1HG PRO 41 -1.747 9.972 -1.144
294 2HG PRO 41 2HG PRO 41 -1.967 9.933 0.631
295 1HD PRO 41 1HD PRO 41 -1.307 7.697 -0.658
296 2HD PRO 41 2HD PRO 41 -2.633 7.608 0.523
297 H SER 42 H SER 42 -5.714 10.524 -2.740
298 HA SER 42 HA SER 42 -5.088 10.219 -5.451
299 1HB SER 42 1HB SER 42 -6.284 12.640 -4.044
300 2HB SER 42 2HB SER 42 -6.446 12.227 -5.764
301 HG SER 42 HG SER 42 -8.241 11.532 -4.522
302 H ASP 43 H ASP 43 -3.405 12.148 -3.006
303 HA ASP 43 HA ASP 43 -2.186 13.908 -4.986
304 1HB ASP 43 1HB ASP 43 -1.265 15.066 -3.154
305 2HB ASP 43 2HB ASP 43 -2.974 14.770 -2.831
306 H TYR 44 H TYR 44 -1.383 10.802 -3.559
307 HA TYR 44 HA TYR 44 1.301 11.026 -4.849
308 1HB TYR 44 1HB TYR 44 0.678 9.426 -2.378
309 2HB TYR 44 2HB TYR 44 2.244 9.669 -3.145
310 HD1 TYR 44 HD1 TYR 44 0.431 10.565 -0.347
311 HD2 TYR 44 HD2 TYR 44 2.820 12.350 -3.458
312 HE1 TYR 44 HE1 TYR 44 0.761 12.568 1.057
313 HE2 TYR 44 HE2 TYR 44 3.144 14.361 -2.057
314 HH TYR 44 HH TYR 44 2.589 15.423 -0.078
315 HA PRO 45 HA PRO 45 -1.527 7.574 -6.289
316 1HB PRO 45 1HB PRO 45 -1.698 8.090 -8.962
317 2HB PRO 45 2HB PRO 45 -2.660 8.973 -7.742
318 1HG PRO 45 1HG PRO 45 -0.037 9.852 -8.989
319 2HG PRO 45 2HG PRO 45 -1.556 10.786 -8.867
320 1HD PRO 45 1HD PRO 45 0.439 11.083 -7.044
321 2HD PRO 45 2HD PRO 45 -1.276 11.099 -6.548
322 H LYS 46 H LYS 46 1.619 8.687 -7.522
323 HA LYS 46 HA LYS 46 1.971 6.341 -9.215
324 1HB LYS 46 1HB LYS 46 3.577 8.836 -8.616
325 2HB LYS 46 2HB LYS 46 4.333 7.519 -9.481
326 1HG LYS 46 1HG LYS 46 1.806 8.977 -10.340
327 2HG LYS 46 2HG LYS 46 3.425 9.209 -10.991
328 1HD LYS 46 1HD LYS 46 1.632 6.778 -11.364
329 2HD LYS 46 2HD LYS 46 2.227 7.928 -12.547
330 1HE LYS 46 1HE LYS 46 3.586 6.117 -12.958
331 2HE LYS 46 2HE LYS 46 4.619 7.099 -11.915
332 1HZ LYS 46 1HZ LYS 46 2.983 4.788 -11.098
333 2HZ LYS 46 2HZ LYS 46 4.613 4.784 -11.319
334 3HZ LYS 46 3HZ LYS 46 3.954 5.639 -10.080
Start of MODEL 6
1 1H LYS 1 1H LYS 1 0.594 1.258 -0.095
2 2H LYS 1 2H LYS 1 0.699 -0.366 -0.300
3 3H LYS 1 3H LYS 1 1.627 0.394 0.840
4 HA LYS 1 HA LYS 1 2.854 -0.255 -1.183
5 1HB LYS 1 1HB LYS 1 1.193 2.030 -2.306
6 2HB LYS 1 2HB LYS 1 2.547 1.237 -3.141
7 1HG LYS 1 1HG LYS 1 1.250 -0.901 -3.111
8 2HG LYS 1 2HG LYS 1 -0.144 0.021 -2.522
9 1HD LYS 1 1HD LYS 1 1.391 0.463 -5.143
10 2HD LYS 1 2HD LYS 1 -0.213 -0.240 -4.954
11 1HE LYS 1 1HE LYS 1 -0.791 1.895 -5.583
12 2HE LYS 1 2HE LYS 1 -0.815 2.085 -3.824
13 1HZ LYS 1 1HZ LYS 1 1.451 3.001 -4.037
14 2HZ LYS 1 2HZ LYS 1 1.341 2.897 -5.675
15 3HZ LYS 1 3HZ LYS 1 0.320 3.866 -4.852
16 H SER 2 H SER 2 4.532 1.211 -2.125
17 HA SER 2 HA SER 2 5.250 3.578 -0.558
18 1HB SER 2 1HB SER 2 6.249 2.543 -3.238
19 2HB SER 2 2HB SER 2 6.946 3.888 -2.305
20 HG SER 2 HG SER 2 7.234 2.305 -0.595
21 H CYS 3 H CYS 3 5.066 5.707 -1.418
22 HA CYS 3 HA CYS 3 2.639 6.106 -3.106
23 1HB CYS 3 1HB CYS 3 2.657 5.591 -0.413
24 2HB CYS 3 2HB CYS 3 2.901 7.314 -0.348
25 H CYS 4 H CYS 4 3.664 7.292 -4.675
26 HA CYS 4 HA CYS 4 5.480 9.490 -3.847
27 1HB CYS 4 1HB CYS 4 5.428 7.777 -6.342
28 2HB CYS 4 2HB CYS 4 6.487 9.147 -6.110
29 HA PRO 5 HA PRO 5 2.692 12.376 -5.492
30 1HB PRO 5 1HB PRO 5 4.356 14.453 -6.228
31 2HB PRO 5 2HB PRO 5 4.021 14.007 -4.539
32 1HG PRO 5 1HG PRO 5 6.394 13.171 -6.225
33 2HG PRO 5 2HG PRO 5 6.400 13.834 -4.563
34 1HD PRO 5 1HD PRO 5 6.566 11.192 -4.999
35 2HD PRO 5 2HD PRO 5 5.526 11.809 -3.680
36 H ASN 6 H ASN 6 5.344 11.467 -7.681
37 HA ASN 6 HA ASN 6 3.597 11.655 -9.994
38 1HB ASN 6 1HB ASN 6 5.083 13.238 -11.252
39 2HB ASN 6 2HB ASN 6 4.118 13.965 -9.973
40 1HD2 ASN 6 1HD2 ASN 6 6.819 14.919 -7.917
41 2HD2 ASN 6 2HD2 ASN 6 5.091 14.804 -8.146
42 H THR 7 H THR 7 4.887 11.190 -12.021
43 HA THR 7 HA THR 7 6.132 8.670 -11.754
44 HB THR 7 HB THR 7 6.315 10.601 -14.111
45 HG1 THR 7 HG1 THR 7 4.172 10.334 -13.563
46 1HG2 THR 7 1HG2 THR 7 6.402 7.552 -13.943
47 2HG2 THR 7 2HG2 THR 7 6.402 8.509 -15.439
48 3HG2 THR 7 3HG2 THR 7 7.775 8.611 -14.327
49 H THR 8 H THR 8 7.510 11.972 -12.112
50 HA THR 8 HA THR 8 10.189 11.071 -12.515
51 HB THR 8 HB THR 8 9.497 13.764 -11.338
52 HG1 THR 8 HG1 THR 8 8.112 13.512 -13.060
53 1HG2 THR 8 1HG2 THR 8 11.588 12.774 -13.334
54 2HG2 THR 8 2HG2 THR 8 11.410 14.439 -12.749
55 3HG2 THR 8 3HG2 THR 8 11.897 13.153 -11.626
56 H GLY 9 H GLY 9 8.310 11.849 -9.635
57 1HA GLY 9 1HA GLY 9 10.431 11.640 -7.706
58 2HA GLY 9 2HA GLY 9 8.691 11.524 -7.404
59 H ARG 10 H ARG 10 7.942 9.307 -8.945
60 HA ARG 10 HA ARG 10 8.762 7.021 -7.493
61 1HB ARG 10 1HB ARG 10 6.657 7.251 -8.716
62 2HB ARG 10 2HB ARG 10 7.514 7.404 -10.245
63 1HG ARG 10 1HG ARG 10 6.555 5.167 -9.932
64 2HG ARG 10 2HG ARG 10 8.304 5.155 -10.161
65 1HD ARG 10 1HD ARG 10 7.672 3.610 -8.443
66 2HD ARG 10 2HD ARG 10 8.627 4.885 -7.697
67 HE ARG 10 HE ARG 10 5.983 5.691 -7.381
68 1HH1 ARG 10 1HH1 ARG 10 4.642 5.112 -5.594
69 2HH1 ARG 10 2HH1 ARG 10 4.999 3.694 -4.656
70 1HH2 ARG 10 1HH2 ARG 10 7.928 2.867 -6.479
71 2HH2 ARG 10 2HH2 ARG 10 6.891 2.400 -5.162
72 H ASN 11 H ASN 11 10.048 8.514 -10.478
73 HA ASN 11 HA ASN 11 11.802 6.312 -11.098
74 1HB ASN 11 1HB ASN 11 12.077 9.245 -11.872
75 2HB ASN 11 2HB ASN 11 12.940 7.886 -12.582
76 1HD2 ASN 11 1HD2 ASN 11 9.899 8.989 -14.615
77 2HD2 ASN 11 2HD2 ASN 11 11.216 9.863 -13.872
78 H ILE 12 H ILE 12 12.313 9.446 -9.312
79 HA ILE 12 HA ILE 12 15.091 8.876 -8.976
80 HB ILE 12 HB ILE 12 13.681 11.126 -8.767
81 1HG1 ILE 12 1HG1 ILE 12 16.040 11.114 -9.017
82 2HG1 ILE 12 2HG1 ILE 12 15.646 12.143 -7.639
83 1HG2 ILE 12 1HG2 ILE 12 14.026 10.391 -5.833
84 2HG2 ILE 12 2HG2 ILE 12 13.559 11.961 -6.502
85 3HG2 ILE 12 3HG2 ILE 12 12.498 10.570 -6.717
86 1HD1 ILE 12 1HD1 ILE 12 16.865 9.347 -7.592
87 2HD1 ILE 12 2HD1 ILE 12 17.576 10.855 -7.030
88 3HD1 ILE 12 3HD1 ILE 12 16.233 10.132 -6.130
89 H TYR 13 H TYR 13 12.222 8.455 -6.872
90 HA TYR 13 HA TYR 13 13.364 7.393 -4.594
91 1HB TYR 13 1HB TYR 13 10.992 7.968 -4.871
92 2HB TYR 13 2HB TYR 13 10.793 6.732 -6.100
93 HD1 TYR 13 HD1 TYR 13 9.843 4.687 -5.470
94 HD2 TYR 13 HD2 TYR 13 11.779 7.148 -2.520
95 HE1 TYR 13 HE1 TYR 13 8.990 3.215 -3.691
96 HE2 TYR 13 HE2 TYR 13 10.944 5.664 -0.725
97 HH TYR 13 HH TYR 13 9.011 2.722 -1.431
98 H ASN 14 H ASN 14 12.423 5.797 -7.648
99 HA ASN 14 HA ASN 14 13.221 3.236 -6.807
100 1HB ASN 14 1HB ASN 14 12.645 4.522 -9.509
101 2HB ASN 14 2HB ASN 14 13.180 2.864 -9.429
102 1HD2 ASN 14 1HD2 ASN 14 9.372 3.179 -9.407
103 2HD2 ASN 14 2HD2 ASN 14 10.568 4.114 -10.276
104 H ALA 15 H ALA 15 14.970 5.811 -8.459
105 HA ALA 15 HA ALA 15 17.218 4.210 -9.287
106 1HB ALA 15 1HB ALA 15 18.348 6.362 -9.614
107 2HB ALA 15 2HB ALA 15 16.707 6.397 -10.290
108 3HB ALA 15 3HB ALA 15 17.050 7.202 -8.743
109 H CYS 16 H CYS 16 16.468 6.167 -6.415
110 HA CYS 16 HA CYS 16 18.903 5.911 -4.995
111 1HB CYS 16 1HB CYS 16 17.065 7.510 -4.487
112 2HB CYS 16 2HB CYS 16 16.035 6.187 -4.045
113 H ARG 17 H ARG 17 15.814 4.002 -4.742
114 HA ARG 17 HA ARG 17 16.733 2.089 -2.957
115 1HB ARG 17 1HB ARG 17 14.703 1.931 -5.216
116 2HB ARG 17 2HB ARG 17 14.840 0.696 -3.965
117 1HG ARG 17 1HG ARG 17 14.548 3.560 -3.026
118 2HG ARG 17 2HG ARG 17 13.147 2.806 -3.795
119 1HD ARG 17 1HD ARG 17 13.261 2.576 -1.303
120 2HD ARG 17 2HD ARG 17 13.065 1.077 -2.229
121 HE ARG 17 HE ARG 17 15.715 2.043 -1.210
122 1HH1 ARG 17 1HH1 ARG 17 16.922 0.615 0.030
123 2HH1 ARG 17 2HH1 ARG 17 16.203 -0.893 0.558
124 1HH2 ARG 17 1HH2 ARG 17 13.210 -0.529 -1.186
125 2HH2 ARG 17 2HH2 ARG 17 14.197 -1.591 -0.223
126 H LEU 18 H LEU 18 16.874 1.952 -6.543
127 HA LEU 18 HA LEU 18 17.972 -0.649 -6.748
128 1HB LEU 18 1HB LEU 18 18.091 1.801 -8.540
129 2HB LEU 18 2HB LEU 18 18.774 0.248 -9.023
130 HG LEU 18 HG LEU 18 15.885 0.502 -8.152
131 1HD1 LEU 18 1HD1 LEU 18 16.256 2.035 -10.066
132 2HD1 LEU 18 2HD1 LEU 18 17.011 0.714 -10.981
133 3HD1 LEU 18 3HD1 LEU 18 15.288 0.635 -10.552
134 1HD2 LEU 18 1HD2 LEU 18 15.614 -1.556 -9.517
135 2HD2 LEU 18 2HD2 LEU 18 17.356 -1.558 -9.857
136 3HD2 LEU 18 3HD2 LEU 18 16.765 -1.808 -8.202
137 H THR 19 H THR 19 19.535 2.519 -6.314
138 HA THR 19 HA THR 19 22.223 1.314 -6.312
139 HB THR 19 HB THR 19 22.982 3.600 -5.745
140 HG1 THR 19 HG1 THR 19 20.239 4.260 -6.033
141 1HG2 THR 19 1HG2 THR 19 21.121 3.426 -8.153
142 2HG2 THR 19 2HG2 THR 19 22.418 4.610 -7.903
143 3HG2 THR 19 3HG2 THR 19 22.812 2.891 -8.086
144 H GLY 20 H GLY 20 20.193 0.310 -4.360
145 1HA GLY 20 1HA GLY 20 20.378 -0.725 -2.388
146 2HA GLY 20 2HA GLY 20 22.103 -0.349 -2.441
147 H ALA 21 H ALA 21 19.768 2.303 -2.367
148 HA ALA 21 HA ALA 21 20.735 3.016 0.347
149 1HB ALA 21 1HB ALA 21 19.306 4.579 -1.789
150 2HB ALA 21 2HB ALA 21 19.727 5.235 -0.193
151 3HB ALA 21 3HB ALA 21 21.004 4.714 -1.314
152 HA PRO 22 HA PRO 22 17.071 1.488 2.117
153 1HB PRO 22 1HB PRO 22 16.924 2.730 4.526
154 2HB PRO 22 2HB PRO 22 18.286 1.674 4.074
155 1HG PRO 22 1HG PRO 22 18.174 4.694 3.825
156 2HG PRO 22 2HG PRO 22 19.421 3.721 4.663
157 1HD PRO 22 1HD PRO 22 19.790 4.540 2.108
158 2HD PRO 22 2HD PRO 22 20.272 2.888 2.604
159 H ARG 23 H ARG 23 14.847 1.888 2.773
160 HA ARG 23 HA ARG 23 13.573 3.471 0.921
161 1HB ARG 23 1HB ARG 23 12.389 2.288 3.467
162 2HB ARG 23 2HB ARG 23 11.499 2.919 2.083
163 1HG ARG 23 1HG ARG 23 12.434 1.212 0.641
164 2HG ARG 23 2HG ARG 23 13.486 0.602 1.944
165 1HD ARG 23 1HD ARG 23 11.504 0.034 3.314
166 2HD ARG 23 2HD ARG 23 10.471 0.768 2.093
167 HE ARG 23 HE ARG 23 10.613 -1.056 0.765
168 1HH1 ARG 23 1HH1 ARG 23 11.083 -3.253 0.291
169 2HH1 ARG 23 2HH1 ARG 23 12.309 -4.107 1.192
170 1HH2 ARG 23 1HH2 ARG 23 13.103 -1.366 3.280
171 2HH2 ARG 23 2HH2 ARG 23 13.455 -3.033 2.906
172 HA PRO 24 HA PRO 24 12.318 6.615 4.380
173 1HB PRO 24 1HB PRO 24 14.856 6.638 6.013
174 2HB PRO 24 2HB PRO 24 13.177 6.937 6.542
175 1HG PRO 24 1HG PRO 24 14.337 4.547 7.045
176 2HG PRO 24 2HG PRO 24 12.663 4.588 6.405
177 1HD PRO 24 1HD PRO 24 15.236 4.219 4.847
178 2HD PRO 24 2HD PRO 24 13.778 3.192 4.830
179 H THR 25 H THR 25 15.854 6.403 3.706
180 HA THR 25 HA THR 25 16.288 9.172 3.335
181 HB THR 25 HB THR 25 17.787 6.799 2.128
182 HG1 THR 25 HG1 THR 25 18.107 8.166 4.591
183 1HG2 THR 25 1HG2 THR 25 19.745 8.324 2.210
184 2HG2 THR 25 2HG2 THR 25 18.495 8.938 1.116
185 3HG2 THR 25 3HG2 THR 25 18.689 9.654 2.732
186 H CYS 26 H CYS 26 15.529 6.574 1.009
187 HA CYS 26 HA CYS 26 15.640 8.234 -1.328
188 1HB CYS 26 1HB CYS 26 14.179 5.602 -0.865
189 2HB CYS 26 2HB CYS 26 14.531 6.332 -2.408
190 H ALA 27 H ALA 27 13.076 7.294 0.934
191 HA ALA 27 HA ALA 27 10.857 8.242 -0.534
192 1HB ALA 27 1HB ALA 27 11.207 8.034 2.480
193 2HB ALA 27 2HB ALA 27 9.675 8.228 1.610
194 3HB ALA 27 3HB ALA 27 10.620 6.752 1.398
195 H LYS 28 H LYS 28 13.155 9.932 1.652
196 HA LYS 28 HA LYS 28 11.577 12.446 1.356
197 1HB LYS 28 1HB LYS 28 14.018 11.883 3.016
198 2HB LYS 28 2HB LYS 28 13.027 13.352 3.042
199 1HG LYS 28 1HG LYS 28 12.088 10.544 3.804
200 2HG LYS 28 2HG LYS 28 12.536 11.851 4.893
201 1HD LYS 28 1HD LYS 28 10.274 11.916 4.990
202 2HD LYS 28 2HD LYS 28 10.592 13.202 3.822
203 1HE LYS 28 1HE LYS 28 9.704 11.872 2.020
204 2HE LYS 28 2HE LYS 28 9.973 10.356 2.899
205 1HZ LYS 28 1HZ LYS 28 8.189 10.978 4.335
206 2HZ LYS 28 2HZ LYS 28 7.981 12.406 3.529
207 3HZ LYS 28 3HZ LYS 28 7.719 10.972 2.751
208 H LEU 29 H LEU 29 14.523 11.029 0.047
209 HA LEU 29 HA LEU 29 15.480 13.402 -1.206
210 1HB LEU 29 1HB LEU 29 16.752 11.304 -1.107
211 2HB LEU 29 2HB LEU 29 15.528 10.492 -2.091
212 HG LEU 29 HG LEU 29 16.074 11.934 -4.020
213 1HD1 LEU 29 1HD1 LEU 29 16.857 13.985 -2.914
214 2HD1 LEU 29 2HD1 LEU 29 18.210 13.099 -2.171
215 3HD1 LEU 29 3HD1 LEU 29 18.147 13.335 -3.930
216 1HD2 LEU 29 1HD2 LEU 29 18.494 10.589 -2.746
217 2HD2 LEU 29 2HD2 LEU 29 17.222 9.780 -3.686
218 3HD2 LEU 29 3HD2 LEU 29 18.289 10.958 -4.471
219 H SER 30 H SER 30 12.973 10.990 -2.081
220 HA SER 30 HA SER 30 12.258 12.320 -4.566
221 1HB SER 30 1HB SER 30 10.651 10.487 -4.714
222 2HB SER 30 2HB SER 30 12.264 9.869 -4.295
223 HG SER 30 HG SER 30 11.593 9.773 -2.123
224 H GLY 31 H GLY 31 10.975 12.169 -1.215
225 1HA GLY 31 1HA GLY 31 9.290 13.439 -0.274
226 2HA GLY 31 2HA GLY 31 8.825 14.096 -1.845
227 H CYS 32 H CYS 32 9.315 10.603 -1.683
228 HA CYS 32 HA CYS 32 6.452 10.026 -1.880
229 1HB CYS 32 1HB CYS 32 8.757 8.118 -1.527
230 2HB CYS 32 2HB CYS 32 7.117 7.727 -2.007
231 H LYS 33 H LYS 33 5.641 8.238 -0.364
232 HA LYS 33 HA LYS 33 6.921 8.006 2.243
233 1HB LYS 33 1HB LYS 33 4.943 8.581 3.545
234 2HB LYS 33 2HB LYS 33 5.489 9.942 2.565
235 1HG LYS 33 1HG LYS 33 3.736 9.243 0.828
236 2HG LYS 33 2HG LYS 33 3.140 8.069 2.012
237 1HD LYS 33 1HD LYS 33 1.753 10.006 2.131
238 2HD LYS 33 2HD LYS 33 2.726 9.967 3.614
239 1HE LYS 33 1HE LYS 33 4.233 11.696 2.687
240 2HE LYS 33 2HE LYS 33 3.420 11.592 1.122
241 1HZ LYS 33 1HZ LYS 33 2.227 12.524 3.651
242 2HZ LYS 33 2HZ LYS 33 2.669 13.465 2.368
243 3HZ LYS 33 3HZ LYS 33 1.430 12.405 2.212
244 H ILE 34 H ILE 34 5.417 6.389 3.582
245 HA ILE 34 HA ILE 34 4.748 4.131 1.742
246 HB ILE 34 HB ILE 34 5.921 4.026 4.537
247 1HG1 ILE 34 1HG1 ILE 34 7.556 5.167 3.085
248 2HG1 ILE 34 2HG1 ILE 34 8.079 3.604 3.672
249 1HG2 ILE 34 1HG2 ILE 34 4.769 1.989 3.915
250 2HG2 ILE 34 2HG2 ILE 34 5.603 1.926 2.353
251 3HG2 ILE 34 3HG2 ILE 34 6.514 1.695 3.863
252 1HD1 ILE 34 1HD1 ILE 34 8.721 3.975 1.341
253 2HD1 ILE 34 2HD1 ILE 34 7.643 2.578 1.477
254 3HD1 ILE 34 3HD1 ILE 34 7.024 4.133 0.866
255 H ILE 35 H ILE 35 2.673 3.423 1.923
256 HA ILE 35 HA ILE 35 1.235 3.770 4.509
257 HB ILE 35 HB ILE 35 -0.786 4.017 3.360
258 1HG1 ILE 35 1HG1 ILE 35 0.644 4.111 0.677
259 2HG1 ILE 35 2HG1 ILE 35 -0.173 2.670 1.294
260 1HG2 ILE 35 1HG2 ILE 35 0.608 6.033 3.859
261 2HG2 ILE 35 2HG2 ILE 35 1.185 6.018 2.180
262 3HG2 ILE 35 3HG2 ILE 35 -0.532 6.287 2.534
263 1HD1 ILE 35 1HD1 ILE 35 -2.282 3.941 1.555
264 2HD1 ILE 35 2HD1 ILE 35 -1.516 5.317 0.729
265 3HD1 ILE 35 3HD1 ILE 35 -1.722 3.766 -0.118
266 H SER 36 H SER 36 -0.337 2.104 4.961
267 HA SER 36 HA SER 36 0.418 -0.567 4.238
268 1HB SER 36 1HB SER 36 -2.020 0.602 5.656
269 2HB SER 36 2HB SER 36 -1.541 -1.102 5.625
270 HG SER 36 HG SER 36 -0.807 -0.028 7.509
271 H GLY 37 H GLY 37 -1.989 1.780 3.221
272 1HA GLY 37 1HA GLY 37 -3.938 0.152 2.107
273 2HA GLY 37 2HA GLY 37 -3.626 1.816 1.610
274 H SER 38 H SER 38 -4.362 -0.765 0.162
275 HA SER 38 HA SER 38 -2.299 -1.515 -1.640
276 1HB SER 38 1HB SER 38 -4.293 -2.384 -2.914
277 2HB SER 38 2HB SER 38 -4.209 -2.928 -1.229
278 HG SER 38 HG SER 38 -6.302 -2.190 -1.826
279 H THR 39 H THR 39 -4.959 0.944 -1.782
280 HA THR 39 HA THR 39 -3.870 2.097 -4.266
281 HB THR 39 HB THR 39 -6.103 3.281 -4.045
282 HG1 THR 39 HG1 THR 39 -6.343 2.838 -1.806
283 1HG2 THR 39 1HG2 THR 39 -6.220 0.233 -4.200
284 2HG2 THR 39 2HG2 THR 39 -7.439 1.358 -4.832
285 3HG2 THR 39 3HG2 THR 39 -5.816 1.319 -5.548
286 H CYS 40 H CYS 40 -2.611 3.857 -4.056
287 HA CYS 40 HA CYS 40 -2.607 5.541 -1.650
288 1HB CYS 40 1HB CYS 40 -1.056 5.427 -4.248
289 2HB CYS 40 2HB CYS 40 -1.043 6.851 -3.216
290 HA PRO 41 HA PRO 41 -5.724 8.230 -3.313
291 1HB PRO 41 1HB PRO 41 -5.186 10.624 -2.122
292 2HB PRO 41 2HB PRO 41 -5.643 9.182 -1.173
293 1HG PRO 41 1HG PRO 41 -2.829 10.145 -1.786
294 2HG PRO 41 2HG PRO 41 -3.529 9.826 -0.170
295 1HD PRO 41 1HD PRO 41 -2.077 7.946 -1.450
296 2HD PRO 41 2HD PRO 41 -3.566 7.470 -0.583
297 H SER 42 H SER 42 -6.014 10.411 -4.451
298 HA SER 42 HA SER 42 -4.513 10.612 -6.811
299 1HB SER 42 1HB SER 42 -6.171 12.766 -5.433
300 2HB SER 42 2HB SER 42 -5.744 12.698 -7.155
301 HG SER 42 HG SER 42 -6.892 10.696 -7.240
302 H ASP 43 H ASP 43 -3.957 12.076 -3.647
303 HA ASP 43 HA ASP 43 -2.132 14.116 -4.354
304 1HB ASP 43 1HB ASP 43 -3.311 13.785 -2.164
305 2HB ASP 43 2HB ASP 43 -2.241 12.420 -1.824
306 H TYR 44 H TYR 44 -1.744 10.587 -3.989
307 HA TYR 44 HA TYR 44 1.075 10.797 -4.936
308 1HB TYR 44 1HB TYR 44 -0.020 8.944 -2.808
309 2HB TYR 44 2HB TYR 44 1.612 8.930 -3.464
310 HD1 TYR 44 HD1 TYR 44 -0.485 10.209 -0.863
311 HD2 TYR 44 HD2 TYR 44 2.951 11.206 -3.256
312 HE1 TYR 44 HE1 TYR 44 -0.061 12.184 0.560
313 HE2 TYR 44 HE2 TYR 44 3.336 13.221 -1.880
314 HH TYR 44 HH TYR 44 2.443 14.602 -0.253
315 HA PRO 45 HA PRO 45 -1.748 8.408 -7.724
316 1HB PRO 45 1HB PRO 45 0.390 9.272 -9.673
317 2HB PRO 45 2HB PRO 45 -1.378 9.189 -9.917
318 1HG PRO 45 1HG PRO 45 -0.195 11.577 -9.435
319 2HG PRO 45 2HG PRO 45 -1.705 11.151 -8.570
320 1HD PRO 45 1HD PRO 45 1.147 10.862 -7.577
321 2HD PRO 45 2HD PRO 45 -0.238 11.645 -6.766
322 H LYS 46 H LYS 46 1.790 8.132 -7.271
323 HA LYS 46 HA LYS 46 1.832 5.527 -8.733
324 1HB LYS 46 1HB LYS 46 4.011 7.490 -7.949
325 2HB LYS 46 2HB LYS 46 4.284 5.945 -8.769
326 1HG LYS 46 1HG LYS 46 2.757 8.358 -9.844
327 2HG LYS 46 2HG LYS 46 4.360 7.791 -10.326
328 1HD LYS 46 1HD LYS 46 3.256 5.589 -11.026
329 2HD LYS 46 2HD LYS 46 1.691 6.407 -10.801
330 1HE LYS 46 1HE LYS 46 2.421 8.172 -12.419
331 2HE LYS 46 2HE LYS 46 3.928 7.266 -12.680
332 1HZ LYS 46 1HZ LYS 46 1.223 6.274 -13.231
333 2HZ LYS 46 2HZ LYS 46 2.314 6.794 -14.352
334 3HZ LYS 46 3HZ LYS 46 2.623 5.437 -13.470
Start of MODEL 7
1 1H LYS 1 1H LYS 1 1.345 0.662 1.044
2 2H LYS 1 2H LYS 1 0.430 1.522 -0.012
3 3H LYS 1 3H LYS 1 0.261 -0.110 0.067
4 HA LYS 1 HA LYS 1 2.481 -0.432 -0.744
5 1HB LYS 1 1HB LYS 1 0.955 1.533 -2.489
6 2HB LYS 1 2HB LYS 1 2.170 0.356 -3.039
7 1HG LYS 1 1HG LYS 1 0.630 -1.472 -2.168
8 2HG LYS 1 2HG LYS 1 -0.608 -0.220 -1.978
9 1HD LYS 1 1HD LYS 1 0.762 -1.115 -4.557
10 2HD LYS 1 2HD LYS 1 -0.908 -1.353 -4.077
11 1HE LYS 1 1HE LYS 1 -1.132 0.401 -5.561
12 2HE LYS 1 2HE LYS 1 -1.065 1.276 -4.025
13 1HZ LYS 1 1HZ LYS 1 1.259 1.717 -4.486
14 2HZ LYS 1 2HZ LYS 1 1.170 0.865 -5.894
15 3HZ LYS 1 3HZ LYS 1 0.305 2.252 -5.710
16 H SER 2 H SER 2 4.064 0.856 -2.321
17 HA SER 2 HA SER 2 5.130 3.236 -0.969
18 1HB SER 2 1HB SER 2 5.914 2.032 -3.657
19 2HB SER 2 2HB SER 2 6.876 3.131 -2.648
20 HG SER 2 HG SER 2 6.844 1.375 -1.069
21 H CYS 3 H CYS 3 4.894 5.287 -1.675
22 HA CYS 3 HA CYS 3 2.807 5.819 -3.753
23 1HB CYS 3 1HB CYS 3 2.948 6.356 -0.774
24 2HB CYS 3 2HB CYS 3 1.847 7.233 -1.832
25 H CYS 4 H CYS 4 3.501 7.376 -5.098
26 HA CYS 4 HA CYS 4 5.443 9.387 -4.088
27 1HB CYS 4 1HB CYS 4 5.345 8.018 -6.764
28 2HB CYS 4 2HB CYS 4 6.384 9.381 -6.384
29 HA PRO 5 HA PRO 5 2.725 12.604 -5.643
30 1HB PRO 5 1HB PRO 5 5.290 13.938 -6.476
31 2HB PRO 5 2HB PRO 5 3.918 14.632 -5.578
32 1HG PRO 5 1HG PRO 5 6.202 13.918 -4.305
33 2HG PRO 5 2HG PRO 5 4.624 13.487 -3.581
34 1HD PRO 5 1HD PRO 5 6.454 11.727 -5.245
35 2HD PRO 5 2HD PRO 5 5.632 11.406 -3.692
36 H ASN 6 H ASN 6 5.533 11.759 -7.743
37 HA ASN 6 HA ASN 6 3.818 11.755 -10.130
38 1HB ASN 6 1HB ASN 6 5.093 13.398 -11.343
39 2HB ASN 6 2HB ASN 6 4.331 14.110 -9.921
40 1HD2 ASN 6 1HD2 ASN 6 7.355 14.919 -8.288
41 2HD2 ASN 6 2HD2 ASN 6 5.605 14.897 -8.249
42 H THR 7 H THR 7 5.112 11.296 -12.104
43 HA THR 7 HA THR 7 6.337 8.803 -11.821
44 HB THR 7 HB THR 7 6.494 10.714 -14.189
45 HG1 THR 7 HG1 THR 7 4.475 8.853 -13.483
46 1HG2 THR 7 1HG2 THR 7 6.465 7.663 -14.009
47 2HG2 THR 7 2HG2 THR 7 6.438 8.615 -15.508
48 3HG2 THR 7 3HG2 THR 7 7.866 8.664 -14.456
49 H THR 8 H THR 8 7.781 12.075 -12.204
50 HA THR 8 HA THR 8 10.455 11.125 -12.611
51 HB THR 8 HB THR 8 9.778 13.835 -11.470
52 HG1 THR 8 HG1 THR 8 9.556 12.953 -14.157
53 1HG2 THR 8 1HG2 THR 8 11.856 12.819 -13.467
54 2HG2 THR 8 2HG2 THR 8 11.684 14.491 -12.899
55 3HG2 THR 8 3HG2 THR 8 12.172 13.216 -11.764
56 H GLY 9 H GLY 9 8.524 11.900 -9.772
57 1HA GLY 9 1HA GLY 9 10.606 11.708 -7.794
58 2HA GLY 9 2HA GLY 9 8.862 11.568 -7.533
59 H ARG 10 H ARG 10 8.167 9.366 -9.092
60 HA ARG 10 HA ARG 10 8.983 7.066 -7.660
61 1HB ARG 10 1HB ARG 10 6.901 7.264 -8.913
62 2HB ARG 10 2HB ARG 10 7.776 7.464 -10.426
63 1HG ARG 10 1HG ARG 10 6.877 5.201 -10.183
64 2HG ARG 10 2HG ARG 10 8.632 5.229 -10.357
65 1HD ARG 10 1HD ARG 10 7.986 3.645 -8.658
66 2HD ARG 10 2HD ARG 10 8.865 4.948 -7.869
67 HE ARG 10 HE ARG 10 6.062 5.518 -7.797
68 1HH1 ARG 10 1HH1 ARG 10 4.726 4.939 -6.102
69 2HH1 ARG 10 2HH1 ARG 10 5.187 3.725 -4.935
70 1HH2 ARG 10 1HH2 ARG 10 8.352 3.154 -6.473
71 2HH2 ARG 10 2HH2 ARG 10 7.308 2.700 -5.152
72 H ASN 11 H ASN 11 10.301 8.599 -10.605
73 HA ASN 11 HA ASN 11 12.095 6.422 -11.204
74 1HB ASN 11 1HB ASN 11 12.327 9.361 -11.970
75 2HB ASN 11 2HB ASN 11 13.230 8.023 -12.668
76 1HD2 ASN 11 1HD2 ASN 11 10.176 9.043 -14.737
77 2HD2 ASN 11 2HD2 ASN 11 11.471 9.951 -13.994
78 H ILE 12 H ILE 12 12.541 9.542 -9.378
79 HA ILE 12 HA ILE 12 15.315 8.986 -8.978
80 HB ILE 12 HB ILE 12 13.882 11.223 -8.765
81 1HG1 ILE 12 1HG1 ILE 12 16.247 11.228 -8.965
82 2HG1 ILE 12 2HG1 ILE 12 15.813 12.236 -7.584
83 1HG2 ILE 12 1HG2 ILE 12 14.168 10.436 -5.838
84 2HG2 ILE 12 2HG2 ILE 12 13.711 12.017 -6.485
85 3HG2 ILE 12 3HG2 ILE 12 12.660 10.628 -6.752
86 1HD1 ILE 12 1HD1 ILE 12 16.381 10.213 -6.085
87 2HD1 ILE 12 2HD1 ILE 12 17.052 9.451 -7.542
88 3HD1 ILE 12 3HD1 ILE 12 17.739 10.956 -6.946
89 H TYR 13 H TYR 13 12.398 8.503 -6.957
90 HA TYR 13 HA TYR 13 13.487 7.413 -4.665
91 1HB TYR 13 1HB TYR 13 11.115 7.950 -4.984
92 2HB TYR 13 2HB TYR 13 10.964 6.744 -6.247
93 HD1 TYR 13 HD1 TYR 13 10.246 4.554 -5.720
94 HD2 TYR 13 HD2 TYR 13 11.691 7.162 -2.622
95 HE1 TYR 13 HE1 TYR 13 9.403 2.985 -4.011
96 HE2 TYR 13 HE2 TYR 13 10.850 5.596 -0.899
97 HH TYR 13 HH TYR 13 9.298 2.473 -1.766
98 H ASN 14 H ASN 14 12.656 5.861 -7.772
99 HA ASN 14 HA ASN 14 13.454 3.294 -6.949
100 1HB ASN 14 1HB ASN 14 12.942 4.619 -9.645
101 2HB ASN 14 2HB ASN 14 13.488 2.963 -9.575
102 1HD2 ASN 14 1HD2 ASN 14 9.676 3.262 -9.640
103 2HD2 ASN 14 2HD2 ASN 14 10.883 4.229 -10.456
104 H ALA 15 H ALA 15 15.218 5.916 -8.508
105 HA ALA 15 HA ALA 15 17.516 4.368 -9.286
106 1HB ALA 15 1HB ALA 15 18.631 6.535 -9.519
107 2HB ALA 15 2HB ALA 15 17.014 6.574 -10.250
108 3HB ALA 15 3HB ALA 15 17.297 7.341 -8.674
109 H CYS 16 H CYS 16 16.660 6.270 -6.403
110 HA CYS 16 HA CYS 16 19.035 6.007 -4.901
111 1HB CYS 16 1HB CYS 16 17.161 7.573 -4.425
112 2HB CYS 16 2HB CYS 16 16.131 6.230 -4.051
113 H ARG 17 H ARG 17 15.974 4.050 -4.803
114 HA ARG 17 HA ARG 17 16.841 2.113 -3.013
115 1HB ARG 17 1HB ARG 17 14.910 1.974 -5.358
116 2HB ARG 17 2HB ARG 17 15.010 0.720 -4.123
117 1HG ARG 17 1HG ARG 17 14.648 3.560 -3.141
118 2HG ARG 17 2HG ARG 17 13.289 2.818 -3.994
119 1HD ARG 17 1HD ARG 17 13.285 2.535 -1.505
120 2HD ARG 17 2HD ARG 17 13.138 1.056 -2.473
121 HE ARG 17 HE ARG 17 15.738 1.999 -1.316
122 1HH1 ARG 17 1HH1 ARG 17 16.885 0.547 -0.047
123 2HH1 ARG 17 2HH1 ARG 17 16.137 -0.965 0.429
124 1HH2 ARG 17 1HH2 ARG 17 13.218 -0.555 -1.428
125 2HH2 ARG 17 2HH2 ARG 17 14.158 -1.637 -0.439
126 H LEU 18 H LEU 18 17.158 2.078 -6.595
127 HA LEU 18 HA LEU 18 18.309 -0.503 -6.802
128 1HB LEU 18 1HB LEU 18 18.466 1.983 -8.539
129 2HB LEU 18 2HB LEU 18 19.204 0.453 -9.015
130 HG LEU 18 HG LEU 18 16.275 0.632 -8.275
131 1HD1 LEU 18 1HD1 LEU 18 16.690 2.213 -10.136
132 2HD1 LEU 18 2HD1 LEU 18 17.520 0.933 -11.045
133 3HD1 LEU 18 3HD1 LEU 18 15.782 0.801 -10.698
134 1HD2 LEU 18 1HD2 LEU 18 17.206 -1.659 -8.335
135 2HD2 LEU 18 2HD2 LEU 18 16.108 -1.402 -9.694
136 3HD2 LEU 18 3HD2 LEU 18 17.862 -1.359 -9.957
137 H THR 19 H THR 19 19.793 2.681 -6.195
138 HA THR 19 HA THR 19 22.496 1.522 -6.078
139 HB THR 19 HB THR 19 23.146 3.805 -5.322
140 HG1 THR 19 HG1 THR 19 20.887 4.194 -4.504
141 1HG2 THR 19 1HG2 THR 19 22.730 4.899 -7.471
142 2HG2 THR 19 2HG2 THR 19 23.184 3.201 -7.706
143 3HG2 THR 19 3HG2 THR 19 21.488 3.700 -7.877
144 H GLY 20 H GLY 20 20.367 0.388 -4.295
145 1HA GLY 20 1HA GLY 20 20.403 -0.686 -2.333
146 2HA GLY 20 2HA GLY 20 22.135 -0.338 -2.279
147 H ALA 21 H ALA 21 19.791 2.318 -2.255
148 HA ALA 21 HA ALA 21 20.637 2.978 0.513
149 1HB ALA 21 1HB ALA 21 19.648 5.204 -0.019
150 2HB ALA 21 2HB ALA 21 20.969 4.714 -1.103
151 3HB ALA 21 3HB ALA 21 19.290 4.586 -1.645
152 HA PRO 22 HA PRO 22 16.900 1.389 2.066
153 1HB PRO 22 1HB PRO 22 16.627 2.568 4.494
154 2HB PRO 22 2HB PRO 22 18.018 1.534 4.083
155 1HG PRO 22 1HG PRO 22 17.894 4.558 3.900
156 2HG PRO 22 2HG PRO 22 19.105 3.574 4.778
157 1HD PRO 22 1HD PRO 22 19.597 4.453 2.264
158 2HD PRO 22 2HD PRO 22 20.065 2.794 2.745
159 H ARG 23 H ARG 23 14.645 1.769 2.627
160 HA ARG 23 HA ARG 23 13.440 3.389 0.757
161 1HB ARG 23 1HB ARG 23 12.168 2.142 3.227
162 2HB ARG 23 2HB ARG 23 11.325 2.812 1.831
163 1HG ARG 23 1HG ARG 23 12.308 1.147 0.373
164 2HG ARG 23 2HG ARG 23 13.323 0.505 1.690
165 1HD ARG 23 1HD ARG 23 11.313 -0.121 2.980
166 2HD ARG 23 2HD ARG 23 10.305 0.656 1.766
167 HE ARG 23 HE ARG 23 10.482 -1.117 0.372
168 1HH1 ARG 23 1HH1 ARG 23 10.963 -3.295 -0.169
169 2HH1 ARG 23 2HH1 ARG 23 12.165 -4.182 0.730
170 1HH2 ARG 23 1HH2 ARG 23 12.910 -1.520 2.935
171 2HH2 ARG 23 2HH2 ARG 23 13.270 -3.173 2.510
172 HA PRO 24 HA PRO 24 12.047 6.459 4.229
173 1HB PRO 24 1HB PRO 24 14.516 6.448 5.964
174 2HB PRO 24 2HB PRO 24 12.816 6.738 6.430
175 1HG PRO 24 1HG PRO 24 13.952 4.336 6.931
176 2HG PRO 24 2HG PRO 24 12.307 4.392 6.221
177 1HD PRO 24 1HD PRO 24 14.944 4.057 4.766
178 2HD PRO 24 2HD PRO 24 13.490 3.028 4.666
179 H THR 25 H THR 25 15.607 6.268 3.686
180 HA THR 25 HA THR 25 16.044 9.047 3.402
181 HB THR 25 HB THR 25 17.601 6.710 2.199
182 HG1 THR 25 HG1 THR 25 18.784 6.920 4.150
183 1HG2 THR 25 1HG2 THR 25 19.545 8.246 2.380
184 2HG2 THR 25 2HG2 THR 25 18.327 8.883 1.264
185 3HG2 THR 25 3HG2 THR 25 18.462 9.553 2.905
186 H CYS 26 H CYS 26 15.392 6.504 0.987
187 HA CYS 26 HA CYS 26 15.587 8.222 -1.304
188 1HB CYS 26 1HB CYS 26 14.143 5.562 -0.966
189 2HB CYS 26 2HB CYS 26 14.551 6.329 -2.476
190 H ALA 27 H ALA 27 12.949 7.207 0.833
191 HA ALA 27 HA ALA 27 10.765 8.164 -0.681
192 1HB ALA 27 1HB ALA 27 11.036 7.914 2.337
193 2HB ALA 27 2HB ALA 27 9.528 8.107 1.430
194 3HB ALA 27 3HB ALA 27 10.489 6.644 1.223
195 H LYS 28 H LYS 28 12.968 9.832 1.624
196 HA LYS 28 HA LYS 28 11.379 12.335 1.298
197 1HB LYS 28 1HB LYS 28 13.737 11.766 3.070
198 2HB LYS 28 2HB LYS 28 12.729 13.223 3.074
199 1HG LYS 28 1HG LYS 28 11.783 10.390 3.725
200 2HG LYS 28 2HG LYS 28 12.159 11.677 4.864
201 1HD LYS 28 1HD LYS 28 9.896 11.723 4.847
202 2HD LYS 28 2HD LYS 28 10.259 13.032 3.719
203 1HE LYS 28 1HE LYS 28 9.480 11.722 1.851
204 2HE LYS 28 2HE LYS 28 9.720 10.196 2.720
205 1HZ LYS 28 1HZ LYS 28 7.857 10.778 4.072
206 2HZ LYS 28 2HZ LYS 28 7.671 12.212 3.272
207 3HZ LYS 28 3HZ LYS 28 7.471 10.784 2.465
208 H LEU 29 H LEU 29 14.382 10.971 0.081
209 HA LEU 29 HA LEU 29 15.367 13.385 -1.080
210 1HB LEU 29 1HB LEU 29 16.655 11.297 -0.988
211 2HB LEU 29 2HB LEU 29 15.470 10.495 -2.025
212 HG LEU 29 HG LEU 29 16.059 11.984 -3.906
213 1HD1 LEU 29 1HD1 LEU 29 18.130 13.124 -1.970
214 2HD1 LEU 29 2HD1 LEU 29 18.116 13.399 -3.724
215 3HD1 LEU 29 3HD1 LEU 29 16.792 14.015 -2.732
216 1HD2 LEU 29 1HD2 LEU 29 18.451 10.629 -2.590
217 2HD2 LEU 29 2HD2 LEU 29 17.214 9.832 -3.585
218 3HD2 LEU 29 3HD2 LEU 29 18.295 11.035 -4.313
219 H SER 30 H SER 30 12.938 10.956 -2.111
220 HA SER 30 HA SER 30 12.309 12.329 -4.591
221 1HB SER 30 1HB SER 30 10.757 10.473 -4.868
222 2HB SER 30 2HB SER 30 12.353 9.874 -4.368
223 HG SER 30 HG SER 30 11.545 9.730 -2.236
224 H GLY 31 H GLY 31 10.851 12.110 -1.315
225 1HA GLY 31 1HA GLY 31 9.072 13.340 -0.474
226 2HA GLY 31 2HA GLY 31 8.645 13.936 -2.080
227 H CYS 32 H CYS 32 9.301 10.497 -1.986
228 HA CYS 32 HA CYS 32 6.483 9.780 -2.187
229 1HB CYS 32 1HB CYS 32 8.877 7.981 -1.994
230 2HB CYS 32 2HB CYS 32 7.246 7.530 -2.452
231 H LYS 33 H LYS 33 5.852 7.779 -0.744
232 HA LYS 33 HA LYS 33 6.847 7.753 1.981
233 1HB LYS 33 1HB LYS 33 4.671 8.407 2.963
234 2HB LYS 33 2HB LYS 33 5.403 9.720 2.065
235 1HG LYS 33 1HG LYS 33 3.853 8.428 0.095
236 2HG LYS 33 2HG LYS 33 2.933 8.150 1.541
237 1HD LYS 33 1HD LYS 33 2.148 10.153 0.471
238 2HD LYS 33 2HD LYS 33 2.955 10.640 1.969
239 1HE LYS 33 1HE LYS 33 3.578 12.168 0.174
240 2HE LYS 33 2HE LYS 33 5.007 11.239 0.604
241 1HZ LYS 33 1HZ LYS 33 4.814 11.378 -1.697
242 2HZ LYS 33 2HZ LYS 33 4.516 9.806 -1.297
243 3HZ LYS 33 3HZ LYS 33 3.268 10.796 -1.709
244 H ILE 34 H ILE 34 5.349 6.198 3.245
245 HA ILE 34 HA ILE 34 4.532 3.928 1.481
246 HB ILE 34 HB ILE 34 6.291 4.043 3.948
247 1HG1 ILE 34 1HG1 ILE 34 7.149 4.501 1.467
248 2HG1 ILE 34 2HG1 ILE 34 8.071 3.553 2.608
249 1HG2 ILE 34 1HG2 ILE 34 4.897 2.114 4.260
250 2HG2 ILE 34 2HG2 ILE 34 5.081 1.612 2.573
251 3HG2 ILE 34 3HG2 ILE 34 6.470 1.548 3.687
252 1HD1 ILE 34 1HD1 ILE 34 7.465 1.502 1.520
253 2HD1 ILE 34 2HD1 ILE 34 6.132 2.284 0.652
254 3HD1 ILE 34 3HD1 ILE 34 7.811 2.665 0.226
255 H ILE 35 H ILE 35 2.516 3.257 1.898
256 HA ILE 35 HA ILE 35 1.330 3.759 4.602
257 HB ILE 35 HB ILE 35 -0.763 4.084 3.622
258 1HG1 ILE 35 1HG1 ILE 35 0.493 3.696 0.882
259 2HG1 ILE 35 2HG1 ILE 35 -0.555 2.535 1.694
260 1HG2 ILE 35 1HG2 ILE 35 0.844 6.017 3.800
261 2HG2 ILE 35 2HG2 ILE 35 1.182 5.835 2.066
262 3HG2 ILE 35 3HG2 ILE 35 -0.450 6.255 2.624
263 1HD1 ILE 35 1HD1 ILE 35 -1.380 5.293 0.786
264 2HD1 ILE 35 2HD1 ILE 35 -1.908 3.712 0.167
265 3HD1 ILE 35 3HD1 ILE 35 -2.368 4.217 1.808
266 H SER 36 H SER 36 -0.365 2.245 5.212
267 HA SER 36 HA SER 36 0.147 -0.523 4.621
268 1HB SER 36 1HB SER 36 -2.100 0.941 6.082
269 2HB SER 36 2HB SER 36 -1.786 -0.799 6.129
270 HG SER 36 HG SER 36 0.277 -0.302 7.025
271 H GLY 37 H GLY 37 -2.111 1.967 3.610
272 1HA GLY 37 1HA GLY 37 -4.261 0.519 2.654
273 2HA GLY 37 2HA GLY 37 -3.767 2.095 2.033
274 H SER 38 H SER 38 -4.899 -0.403 0.758
275 HA SER 38 HA SER 38 -3.012 -1.599 -0.979
276 1HB SER 38 1HB SER 38 -6.032 -1.191 -1.188
277 2HB SER 38 2HB SER 38 -5.063 -2.277 -2.195
278 HG SER 38 HG SER 38 -5.281 -2.411 0.630
279 H THR 39 H THR 39 -5.103 1.344 -1.292
280 HA THR 39 HA THR 39 -3.894 2.000 -3.907
281 HB THR 39 HB THR 39 -5.907 3.558 -3.821
282 HG1 THR 39 HG1 THR 39 -6.219 3.374 -1.565
283 1HG2 THR 39 1HG2 THR 39 -6.510 0.566 -3.715
284 2HG2 THR 39 2HG2 THR 39 -7.535 1.813 -4.453
285 3HG2 THR 39 3HG2 THR 39 -5.942 1.454 -5.147
286 H CYS 40 H CYS 40 -2.432 3.669 -3.924
287 HA CYS 40 HA CYS 40 -1.978 5.436 -1.684
288 1HB CYS 40 1HB CYS 40 -1.228 5.618 -4.630
289 2HB CYS 40 2HB CYS 40 -0.605 6.635 -3.335
290 HA PRO 41 HA PRO 41 -5.385 8.109 -2.633
291 1HB PRO 41 1HB PRO 41 -4.641 10.523 -1.600
292 2HB PRO 41 2HB PRO 41 -4.900 9.085 -0.572
293 1HG PRO 41 1HG PRO 41 -2.268 10.074 -1.706
294 2HG PRO 41 2HG PRO 41 -2.651 9.726 0.007
295 1HD PRO 41 1HD PRO 41 -1.436 7.877 -1.563
296 2HD PRO 41 2HD PRO 41 -2.712 7.373 -0.416
297 H SER 42 H SER 42 -6.011 10.143 -3.753
298 HA SER 42 HA SER 42 -4.883 10.382 -6.365
299 1HB SER 42 1HB SER 42 -6.490 12.296 -6.536
300 2HB SER 42 2HB SER 42 -7.229 10.788 -5.960
301 HG SER 42 HG SER 42 -7.829 12.625 -4.708
302 H ASP 43 H ASP 43 -4.132 11.929 -3.325
303 HA ASP 43 HA ASP 43 -2.809 14.267 -4.255
304 1HB ASP 43 1HB ASP 43 -3.609 13.757 -1.932
305 2HB ASP 43 2HB ASP 43 -2.298 12.585 -1.761
306 H TYR 44 H TYR 44 -1.729 10.878 -3.678
307 HA TYR 44 HA TYR 44 0.867 11.461 -5.039
308 1HB TYR 44 1HB TYR 44 0.482 9.628 -2.660
309 2HB TYR 44 2HB TYR 44 1.983 10.140 -3.412
310 HD1 TYR 44 HD1 TYR 44 -0.178 10.689 -0.673
311 HD2 TYR 44 HD2 TYR 44 2.286 12.848 -3.470
312 HE1 TYR 44 HE1 TYR 44 -0.007 12.570 0.923
313 HE2 TYR 44 HE2 TYR 44 2.441 14.734 -1.882
314 HH TYR 44 HH TYR 44 1.762 15.579 0.155
315 HA PRO 45 HA PRO 45 -1.645 7.957 -6.725
316 1HB PRO 45 1HB PRO 45 -2.107 8.729 -9.280
317 2HB PRO 45 2HB PRO 45 -2.913 9.511 -7.892
318 1HG PRO 45 1HG PRO 45 -0.418 10.468 -9.328
319 2HG PRO 45 2HG PRO 45 -1.907 11.399 -8.992
320 1HD PRO 45 1HD PRO 45 0.280 11.508 -7.348
321 2HD PRO 45 2HD PRO 45 -1.386 11.575 -6.720
322 H LYS 46 H LYS 46 1.590 8.716 -7.187
323 HA LYS 46 HA LYS 46 2.029 6.493 -9.153
324 1HB LYS 46 1HB LYS 46 3.616 9.003 -8.519
325 2HB LYS 46 2HB LYS 46 4.394 7.568 -9.178
326 1HG LYS 46 1HG LYS 46 3.929 8.945 -10.991
327 2HG LYS 46 2HG LYS 46 2.860 7.550 -11.110
328 1HD LYS 46 1HD LYS 46 0.956 8.841 -10.434
329 2HD LYS 46 2HD LYS 46 1.974 10.197 -9.889
330 1HE LYS 46 1HE LYS 46 2.697 10.587 -12.232
331 2HE LYS 46 2HE LYS 46 1.697 9.224 -12.772
332 1HZ LYS 46 1HZ LYS 46 0.722 11.673 -11.483
333 2HZ LYS 46 2HZ LYS 46 0.620 11.315 -13.090
334 3HZ LYS 46 3HZ LYS 46 -0.216 10.413 -11.991
Start of MODEL 8
1 1H LYS 1 1H LYS 1 2.076 0.148 0.960
2 2H LYS 1 2H LYS 1 0.551 0.586 0.545
3 3H LYS 1 3H LYS 1 1.030 -0.969 0.330
4 HA LYS 1 HA LYS 1 2.453 -0.459 -1.387
5 1HB LYS 1 1HB LYS 1 0.051 -0.640 -1.856
6 2HB LYS 1 2HB LYS 1 -0.141 1.105 -1.693
7 1HG LYS 1 1HG LYS 1 1.870 0.193 -3.722
8 2HG LYS 1 2HG LYS 1 0.193 -0.251 -4.049
9 1HD LYS 1 1HD LYS 1 -0.576 2.048 -3.853
10 2HD LYS 1 2HD LYS 1 1.044 2.554 -3.349
11 1HE LYS 1 1HE LYS 1 1.914 1.725 -5.596
12 2HE LYS 1 2HE LYS 1 0.224 1.493 -6.091
13 1HZ LYS 1 1HZ LYS 1 1.442 4.018 -5.213
14 2HZ LYS 1 2HZ LYS 1 1.190 3.615 -6.773
15 3HZ LYS 1 3HZ LYS 1 -0.105 3.849 -5.773
16 H SER 2 H SER 2 3.493 1.124 -2.809
17 HA SER 2 HA SER 2 4.577 3.341 -1.220
18 1HB SER 2 1HB SER 2 6.337 3.380 -2.926
19 2HB SER 2 2HB SER 2 6.137 1.764 -2.234
20 HG SER 2 HG SER 2 4.972 1.164 -4.071
21 H CYS 3 H CYS 3 4.645 5.428 -1.787
22 HA CYS 3 HA CYS 3 2.476 6.307 -3.651
23 1HB CYS 3 1HB CYS 3 2.973 6.699 -0.683
24 2HB CYS 3 2HB CYS 3 1.856 7.709 -1.597
25 H CYS 4 H CYS 4 3.560 7.468 -5.117
26 HA CYS 4 HA CYS 4 5.410 9.614 -4.201
27 1HB CYS 4 1HB CYS 4 5.326 8.008 -6.775
28 2HB CYS 4 2HB CYS 4 6.343 9.409 -6.531
29 HA PRO 5 HA PRO 5 2.540 12.547 -5.931
30 1HB PRO 5 1HB PRO 5 4.215 14.561 -6.734
31 2HB PRO 5 2HB PRO 5 3.843 14.208 -5.036
32 1HG PRO 5 1HG PRO 5 6.269 13.281 -6.586
33 2HG PRO 5 2HG PRO 5 6.214 14.042 -4.971
34 1HD PRO 5 1HD PRO 5 6.402 11.375 -5.261
35 2HD PRO 5 2HD PRO 5 5.349 12.056 -3.988
36 H ASN 6 H ASN 6 5.398 11.716 -7.949
37 HA ASN 6 HA ASN 6 3.737 11.638 -10.366
38 1HB ASN 6 1HB ASN 6 5.195 13.252 -11.572
39 2HB ASN 6 2HB ASN 6 4.167 13.970 -10.332
40 1HD2 ASN 6 1HD2 ASN 6 6.781 15.082 -8.264
41 2HD2 ASN 6 2HD2 ASN 6 5.066 14.977 -8.588
42 H THR 7 H THR 7 5.090 11.132 -12.280
43 HA THR 7 HA THR 7 6.400 8.684 -11.904
44 HB THR 7 HB THR 7 6.551 10.557 -14.302
45 HG1 THR 7 HG1 THR 7 4.622 8.588 -13.642
46 1HG2 THR 7 1HG2 THR 7 6.708 7.514 -14.063
47 2HG2 THR 7 2HG2 THR 7 6.675 8.434 -15.582
48 3HG2 THR 7 3HG2 THR 7 8.055 8.595 -14.482
49 H THR 8 H THR 8 7.718 12.011 -12.332
50 HA THR 8 HA THR 8 10.420 11.212 -12.660
51 HB THR 8 HB THR 8 9.606 13.847 -11.436
52 HG1 THR 8 HG1 THR 8 9.219 14.507 -13.585
53 1HG2 THR 8 1HG2 THR 8 11.715 13.005 -13.481
54 2HG2 THR 8 2HG2 THR 8 11.480 14.642 -12.838
55 3HG2 THR 8 3HG2 THR 8 12.030 13.338 -11.764
56 H GLY 9 H GLY 9 8.469 11.910 -9.796
57 1HA GLY 9 1HA GLY 9 10.570 11.723 -7.839
58 2HA GLY 9 2HA GLY 9 8.831 11.574 -7.560
59 H ARG 10 H ARG 10 8.147 9.356 -9.134
60 HA ARG 10 HA ARG 10 8.978 7.073 -7.689
61 1HB ARG 10 1HB ARG 10 6.905 7.265 -8.979
62 2HB ARG 10 2HB ARG 10 7.812 7.423 -10.479
63 1HG ARG 10 1HG ARG 10 6.891 5.170 -10.177
64 2HG ARG 10 2HG ARG 10 8.645 5.196 -10.359
65 1HD ARG 10 1HD ARG 10 7.978 3.646 -8.635
66 2HD ARG 10 2HD ARG 10 8.905 4.939 -7.885
67 HE ARG 10 HE ARG 10 6.251 5.739 -7.671
68 1HH1 ARG 10 1HH1 ARG 10 4.765 5.135 -5.994
69 2HH1 ARG 10 2HH1 ARG 10 5.097 3.708 -5.045
70 1HH2 ARG 10 1HH2 ARG 10 8.128 2.899 -6.608
71 2HH2 ARG 10 2HH2 ARG 10 6.963 2.476 -5.369
72 H ASN 11 H ASN 11 10.322 8.613 -10.613
73 HA ASN 11 HA ASN 11 12.122 6.443 -11.216
74 1HB ASN 11 1HB ASN 11 12.366 9.387 -11.957
75 2HB ASN 11 2HB ASN 11 13.266 8.049 -12.661
76 1HD2 ASN 11 1HD2 ASN 11 10.232 9.117 -14.737
77 2HD2 ASN 11 2HD2 ASN 11 11.518 10.011 -13.964
78 H ILE 12 H ILE 12 12.537 9.561 -9.380
79 HA ILE 12 HA ILE 12 15.313 9.017 -8.959
80 HB ILE 12 HB ILE 12 13.869 11.249 -8.767
81 1HG1 ILE 12 1HG1 ILE 12 16.239 11.257 -8.939
82 2HG1 ILE 12 2HG1 ILE 12 15.785 12.274 -7.571
83 1HG2 ILE 12 1HG2 ILE 12 14.131 10.474 -5.836
84 2HG2 ILE 12 2HG2 ILE 12 13.670 12.050 -6.495
85 3HG2 ILE 12 3HG2 ILE 12 12.630 10.653 -6.763
86 1HD1 ILE 12 1HD1 ILE 12 16.345 10.265 -6.049
87 2HD1 ILE 12 2HD1 ILE 12 17.030 9.490 -7.492
88 3HD1 ILE 12 3HD1 ILE 12 17.709 11.002 -6.904
89 H TYR 13 H TYR 13 12.377 8.536 -6.967
90 HA TYR 13 HA TYR 13 13.453 7.459 -4.670
91 1HB TYR 13 1HB TYR 13 11.073 8.013 -5.041
92 2HB TYR 13 2HB TYR 13 10.939 6.750 -6.254
93 HD1 TYR 13 HD1 TYR 13 9.565 5.014 -5.499
94 HD2 TYR 13 HD2 TYR 13 12.204 6.979 -2.730
95 HE1 TYR 13 HE1 TYR 13 8.734 3.566 -3.686
96 HE2 TYR 13 HE2 TYR 13 11.417 5.502 -0.917
97 HH TYR 13 HH TYR 13 10.043 3.759 -0.338
98 H ASN 14 H ASN 14 12.651 5.888 -7.771
99 HA ASN 14 HA ASN 14 13.453 3.324 -6.933
100 1HB ASN 14 1HB ASN 14 12.942 4.640 -9.633
101 2HB ASN 14 2HB ASN 14 13.513 2.993 -9.563
102 1HD2 ASN 14 1HD2 ASN 14 9.693 3.243 -9.637
103 2HD2 ASN 14 2HD2 ASN 14 10.889 4.228 -10.448
104 H ALA 15 H ALA 15 15.216 5.954 -8.483
105 HA ALA 15 HA ALA 15 17.522 4.417 -9.252
106 1HB ALA 15 1HB ALA 15 18.634 6.587 -9.467
107 2HB ALA 15 2HB ALA 15 17.020 6.629 -10.204
108 3HB ALA 15 3HB ALA 15 17.296 7.386 -8.622
109 H CYS 16 H CYS 16 16.636 6.288 -6.354
110 HA CYS 16 HA CYS 16 19.012 6.013 -4.850
111 1HB CYS 16 1HB CYS 16 17.126 7.574 -4.375
112 2HB CYS 16 2HB CYS 16 16.111 6.223 -3.986
113 H ARG 17 H ARG 17 15.947 4.058 -4.786
114 HA ARG 17 HA ARG 17 16.795 2.101 -3.011
115 1HB ARG 17 1HB ARG 17 14.894 1.984 -5.381
116 2HB ARG 17 2HB ARG 17 14.984 0.719 -4.158
117 1HG ARG 17 1HG ARG 17 14.606 3.543 -3.141
118 2HG ARG 17 2HG ARG 17 13.260 2.819 -4.031
119 1HD ARG 17 1HD ARG 17 13.187 2.478 -1.563
120 2HD ARG 17 2HD ARG 17 13.109 1.007 -2.554
121 HE ARG 17 HE ARG 17 15.666 1.979 -1.337
122 1HH1 ARG 17 1HH1 ARG 17 16.798 0.538 -0.040
123 2HH1 ARG 17 2HH1 ARG 17 16.034 -0.959 0.460
124 1HH2 ARG 17 1HH2 ARG 17 13.131 -0.555 -1.425
125 2HH2 ARG 17 2HH2 ARG 17 14.053 -1.627 -0.406
126 H LEU 18 H LEU 18 17.155 2.104 -6.588
127 HA LEU 18 HA LEU 18 18.310 -0.474 -6.810
128 1HB LEU 18 1HB LEU 18 18.483 2.031 -8.519
129 2HB LEU 18 2HB LEU 18 19.223 0.505 -9.005
130 HG LEU 18 HG LEU 18 16.288 0.679 -8.288
131 1HD1 LEU 18 1HD1 LEU 18 16.718 2.279 -10.128
132 2HD1 LEU 18 2HD1 LEU 18 17.557 1.010 -11.043
133 3HD1 LEU 18 3HD1 LEU 18 15.816 0.873 -10.714
134 1HD2 LEU 18 1HD2 LEU 18 17.887 -1.296 -9.978
135 2HD2 LEU 18 2HD2 LEU 18 17.217 -1.612 -8.365
136 3HD2 LEU 18 3HD2 LEU 18 16.131 -1.339 -9.730
137 H THR 19 H THR 19 19.786 2.705 -6.157
138 HA THR 19 HA THR 19 22.487 1.544 -6.020
139 HB THR 19 HB THR 19 23.128 3.818 -5.230
140 HG1 THR 19 HG1 THR 19 20.859 4.199 -4.436
141 1HG2 THR 19 1HG2 THR 19 22.739 4.936 -7.371
142 2HG2 THR 19 2HG2 THR 19 23.194 3.240 -7.620
143 3HG2 THR 19 3HG2 THR 19 21.500 3.743 -7.805
144 H GLY 20 H GLY 20 20.325 0.401 -4.269
145 1HA GLY 20 1HA GLY 20 20.343 -0.701 -2.324
146 2HA GLY 20 2HA GLY 20 22.072 -0.346 -2.236
147 H ALA 21 H ALA 21 19.744 2.318 -2.232
148 HA ALA 21 HA ALA 21 20.535 2.936 0.563
149 1HB ALA 21 1HB ALA 21 19.592 5.189 0.021
150 2HB ALA 21 2HB ALA 21 20.954 4.684 -1.002
151 3HB ALA 21 3HB ALA 21 19.304 4.592 -1.627
152 HA PRO 22 HA PRO 22 16.781 1.401 2.043
153 1HB PRO 22 1HB PRO 22 16.435 2.633 4.450
154 2HB PRO 22 2HB PRO 22 17.817 1.564 4.089
155 1HG PRO 22 1HG PRO 22 17.736 4.581 3.884
156 2HG PRO 22 2HG PRO 22 18.924 3.590 4.782
157 1HD PRO 22 1HD PRO 22 19.465 4.468 2.278
158 2HD PRO 22 2HD PRO 22 19.910 2.804 2.766
159 H ARG 23 H ARG 23 14.545 1.684 2.457
160 HA ARG 23 HA ARG 23 13.158 3.262 0.722
161 1HB ARG 23 1HB ARG 23 12.243 2.007 3.334
162 2HB ARG 23 2HB ARG 23 11.168 2.684 2.098
163 1HG ARG 23 1HG ARG 23 12.043 1.079 0.443
164 2HG ARG 23 2HG ARG 23 13.145 0.389 1.663
165 1HD ARG 23 1HD ARG 23 11.240 -0.242 3.076
166 2HD ARG 23 2HD ARG 23 10.138 0.541 1.928
167 HE ARG 23 HE ARG 23 11.691 -1.419 0.555
168 1HH1 ARG 23 1HH1 ARG 23 10.753 -3.435 -0.031
169 2HH1 ARG 23 2HH1 ARG 23 9.326 -4.008 0.789
170 1HH2 ARG 23 1HH2 ARG 23 9.059 -1.207 2.929
171 2HH2 ARG 23 2HH2 ARG 23 8.356 -2.738 2.476
172 HA PRO 24 HA PRO 24 11.776 6.430 4.047
173 1HB PRO 24 1HB PRO 24 13.447 6.950 6.207
174 2HB PRO 24 2HB PRO 24 12.045 5.845 6.223
175 1HG PRO 24 1HG PRO 24 14.951 5.123 5.756
176 2HG PRO 24 2HG PRO 24 13.793 4.354 6.884
177 1HD PRO 24 1HD PRO 24 14.224 3.235 4.515
178 2HD PRO 24 2HD PRO 24 12.543 3.418 5.077
179 H THR 25 H THR 25 15.378 6.137 3.792
180 HA THR 25 HA THR 25 15.865 8.924 3.592
181 HB THR 25 HB THR 25 17.471 6.593 2.452
182 HG1 THR 25 HG1 THR 25 17.554 7.907 4.966
183 1HG2 THR 25 1HG2 THR 25 19.410 8.115 2.759
184 2HG2 THR 25 2HG2 THR 25 18.270 8.751 1.563
185 3HG2 THR 25 3HG2 THR 25 18.304 9.432 3.205
186 H CYS 26 H CYS 26 15.333 6.433 1.092
187 HA CYS 26 HA CYS 26 15.633 8.187 -1.160
188 1HB CYS 26 1HB CYS 26 14.184 5.520 -0.877
189 2HB CYS 26 2HB CYS 26 14.567 6.303 -2.381
190 H ALA 27 H ALA 27 12.895 7.176 0.854
191 HA ALA 27 HA ALA 27 10.804 8.170 -0.763
192 1HB ALA 27 1HB ALA 27 10.901 7.850 2.259
193 2HB ALA 27 2HB ALA 27 9.448 8.066 1.273
194 3HB ALA 27 3HB ALA 27 10.420 6.606 1.082
195 H LYS 28 H LYS 28 12.916 9.774 1.662
196 HA LYS 28 HA LYS 28 11.377 12.307 1.335
197 1HB LYS 28 1HB LYS 28 13.700 11.675 3.136
198 2HB LYS 28 2HB LYS 28 12.718 13.151 3.142
199 1HG LYS 28 1HG LYS 28 11.714 10.331 3.755
200 2HG LYS 28 2HG LYS 28 12.095 11.603 4.909
201 1HD LYS 28 1HD LYS 28 9.833 11.684 4.857
202 2HD LYS 28 2HD LYS 28 10.234 12.996 3.744
203 1HE LYS 28 1HE LYS 28 9.465 11.713 1.854
204 2HE LYS 28 2HE LYS 28 9.669 10.175 2.712
205 1HZ LYS 28 1HZ LYS 28 7.645 12.220 3.256
206 2HZ LYS 28 2HZ LYS 28 7.434 10.806 2.428
207 3HZ LYS 28 3HZ LYS 28 7.794 10.774 4.041
208 H LEU 29 H LEU 29 14.390 10.910 0.164
209 HA LEU 29 HA LEU 29 15.417 13.326 -0.959
210 1HB LEU 29 1HB LEU 29 16.689 11.225 -0.868
211 2HB LEU 29 2HB LEU 29 15.518 10.448 -1.938
212 HG LEU 29 HG LEU 29 16.146 11.974 -3.782
213 1HD1 LEU 29 1HD1 LEU 29 16.897 13.966 -2.553
214 2HD1 LEU 29 2HD1 LEU 29 18.210 13.036 -1.796
215 3HD1 LEU 29 3HD1 LEU 29 18.222 13.351 -3.544
216 1HD2 LEU 29 1HD2 LEU 29 18.366 10.999 -4.187
217 2HD2 LEU 29 2HD2 LEU 29 18.498 10.549 -2.473
218 3HD2 LEU 29 3HD2 LEU 29 17.258 9.798 -3.500
219 H SER 30 H SER 30 12.970 10.939 -2.038
220 HA SER 30 HA SER 30 12.408 12.326 -4.527
221 1HB SER 30 1HB SER 30 10.830 10.496 -4.839
222 2HB SER 30 2HB SER 30 12.411 9.872 -4.324
223 HG SER 30 HG SER 30 11.585 9.703 -2.212
224 H GLY 31 H GLY 31 10.908 12.139 -1.272
225 1HA GLY 31 1HA GLY 31 9.144 13.389 -0.445
226 2HA GLY 31 2HA GLY 31 8.770 14.032 -2.047
227 H CYS 32 H CYS 32 9.317 10.569 -1.951
228 HA CYS 32 HA CYS 32 6.474 9.955 -2.238
229 1HB CYS 32 1HB CYS 32 8.842 8.095 -2.074
230 2HB CYS 32 2HB CYS 32 7.201 7.679 -2.540
231 H LYS 33 H LYS 33 5.816 7.877 -0.832
232 HA LYS 33 HA LYS 33 6.969 7.639 1.812
233 1HB LYS 33 1HB LYS 33 4.848 8.211 2.983
234 2HB LYS 33 2HB LYS 33 5.593 9.590 2.207
235 1HG LYS 33 1HG LYS 33 3.897 8.585 0.187
236 2HG LYS 33 2HG LYS 33 3.032 8.207 1.644
237 1HD LYS 33 1HD LYS 33 2.313 10.359 0.828
238 2HD LYS 33 2HD LYS 33 3.231 10.644 2.313
239 1HE LYS 33 1HE LYS 33 3.840 12.297 0.611
240 2HE LYS 33 2HE LYS 33 5.237 11.272 0.914
241 1HZ LYS 33 1HZ LYS 33 3.394 11.065 -1.346
242 2HZ LYS 33 2HZ LYS 33 4.950 11.616 -1.375
243 3HZ LYS 33 3HZ LYS 33 4.634 10.026 -1.073
244 H ILE 34 H ILE 34 5.504 6.005 3.052
245 HA ILE 34 HA ILE 34 4.427 3.930 1.188
246 HB ILE 34 HB ILE 34 6.361 3.768 3.522
247 1HG1 ILE 34 1HG1 ILE 34 7.073 4.301 1.021
248 2HG1 ILE 34 2HG1 ILE 34 7.995 3.220 2.037
249 1HG2 ILE 34 1HG2 ILE 34 4.894 1.486 2.146
250 2HG2 ILE 34 2HG2 ILE 34 6.351 1.288 3.153
251 3HG2 ILE 34 3HG2 ILE 34 4.866 1.925 3.862
252 1HD1 ILE 34 1HD1 ILE 34 7.138 1.283 0.893
253 2HD1 ILE 34 2HD1 ILE 34 5.834 2.226 0.147
254 3HD1 ILE 34 3HD1 ILE 34 7.510 2.472 -0.365
255 H ILE 35 H ILE 35 2.460 3.153 1.779
256 HA ILE 35 HA ILE 35 1.488 3.641 4.570
257 HB ILE 35 HB ILE 35 -0.708 3.876 3.702
258 1HG1 ILE 35 1HG1 ILE 35 0.478 3.809 0.902
259 2HG1 ILE 35 2HG1 ILE 35 -0.402 2.477 1.643
260 1HG2 ILE 35 1HG2 ILE 35 0.799 5.868 3.990
261 2HG2 ILE 35 2HG2 ILE 35 1.137 5.818 2.247
262 3HG2 ILE 35 3HG2 ILE 35 -0.509 6.127 2.835
263 1HD1 ILE 35 1HD1 ILE 35 -1.917 3.664 0.258
264 2HD1 ILE 35 2HD1 ILE 35 -2.379 3.949 1.952
265 3HD1 ILE 35 3HD1 ILE 35 -1.533 5.217 1.030
266 H SER 36 H SER 36 -0.190 2.082 5.245
267 HA SER 36 HA SER 36 0.412 -0.658 4.661
268 1HB SER 36 1HB SER 36 -1.907 0.707 6.104
269 2HB SER 36 2HB SER 36 -1.501 -1.015 6.165
270 HG SER 36 HG SER 36 -0.636 0.143 7.940
271 H GLY 37 H GLY 37 -1.941 1.727 3.614
272 1HA GLY 37 1HA GLY 37 -3.959 0.107 2.518
273 2HA GLY 37 2HA GLY 37 -3.600 1.769 2.043
274 H SER 38 H SER 38 -4.436 -0.643 0.471
275 HA SER 38 HA SER 38 -2.348 -1.486 -1.253
276 1HB SER 38 1HB SER 38 -5.365 -1.289 -1.690
277 2HB SER 38 2HB SER 38 -4.222 -2.285 -2.607
278 HG SER 38 HG SER 38 -3.743 -3.369 -0.634
279 H THR 39 H THR 39 -4.774 1.202 -1.412
280 HA THR 39 HA THR 39 -3.508 2.299 -3.848
281 HB THR 39 HB THR 39 -5.786 3.511 -3.758
282 HG1 THR 39 HG1 THR 39 -7.388 2.401 -2.611
283 1HG2 THR 39 1HG2 THR 39 -5.764 0.487 -4.186
284 2HG2 THR 39 2HG2 THR 39 -6.965 1.620 -4.840
285 3HG2 THR 39 3HG2 THR 39 -5.281 1.703 -5.389
286 H CYS 40 H CYS 40 -2.588 4.270 -3.754
287 HA CYS 40 HA CYS 40 -2.355 5.786 -1.277
288 1HB CYS 40 1HB CYS 40 -1.565 6.350 -4.159
289 2HB CYS 40 2HB CYS 40 -0.990 7.241 -2.757
290 HA PRO 41 HA PRO 41 -5.718 8.619 -2.412
291 1HB PRO 41 1HB PRO 41 -4.847 11.052 -1.528
292 2HB PRO 41 2HB PRO 41 -5.291 9.734 -0.407
293 1HG PRO 41 1HG PRO 41 -2.512 10.416 -1.422
294 2HG PRO 41 2HG PRO 41 -3.040 10.248 0.279
295 1HD PRO 41 1HD PRO 41 -1.878 8.188 -1.012
296 2HD PRO 41 2HD PRO 41 -3.282 7.878 0.041
297 H SER 42 H SER 42 -6.093 10.587 -3.749
298 HA SER 42 HA SER 42 -4.839 10.442 -6.281
299 1HB SER 42 1HB SER 42 -6.532 12.686 -5.107
300 2HB SER 42 2HB SER 42 -6.252 12.358 -6.829
301 HG SER 42 HG SER 42 -7.247 10.304 -6.480
302 H ASP 43 H ASP 43 -3.806 12.088 -3.424
303 HA ASP 43 HA ASP 43 -2.330 14.239 -4.593
304 1HB ASP 43 1HB ASP 43 -3.114 14.014 -2.216
305 2HB ASP 43 2HB ASP 43 -1.896 12.761 -1.961
306 H TYR 44 H TYR 44 -1.523 10.837 -3.666
307 HA TYR 44 HA TYR 44 1.107 11.103 -5.062
308 1HB TYR 44 1HB TYR 44 0.570 9.541 -2.544
309 2HB TYR 44 2HB TYR 44 2.121 9.897 -3.294
310 HD1 TYR 44 HD1 TYR 44 -0.020 10.798 -0.654
311 HD2 TYR 44 HD2 TYR 44 2.583 12.554 -3.608
312 HE1 TYR 44 HE1 TYR 44 0.320 12.765 0.808
313 HE2 TYR 44 HE2 TYR 44 2.902 14.529 -2.155
314 HH TYR 44 HH TYR 44 2.314 15.564 -0.176
315 HA PRO 45 HA PRO 45 -1.665 7.561 -6.351
316 1HB PRO 45 1HB PRO 45 -1.801 7.938 -9.068
317 2HB PRO 45 2HB PRO 45 -2.818 8.800 -7.879
318 1HG PRO 45 1HG PRO 45 -0.248 9.786 -9.143
319 2HG PRO 45 2HG PRO 45 -1.809 10.646 -9.018
320 1HD PRO 45 1HD PRO 45 0.183 11.084 -7.232
321 2HD PRO 45 2HD PRO 45 -1.523 10.984 -6.704
322 H LYS 46 H LYS 46 1.566 8.458 -7.595
323 HA LYS 46 HA LYS 46 1.869 6.049 -9.190
324 1HB LYS 46 1HB LYS 46 3.708 8.287 -8.322
325 2HB LYS 46 2HB LYS 46 4.367 6.793 -8.998
326 1HG LYS 46 1HG LYS 46 4.148 8.424 -10.733
327 2HG LYS 46 2HG LYS 46 3.048 7.075 -11.046
328 1HD LYS 46 1HD LYS 46 1.143 8.371 -10.290
329 2HD LYS 46 2HD LYS 46 2.201 9.689 -9.722
330 1HE LYS 46 1HE LYS 46 2.930 10.060 -12.089
331 2HE LYS 46 2HE LYS 46 1.824 8.777 -12.614
332 1HZ LYS 46 1HZ LYS 46 1.052 11.266 -11.257
333 2HZ LYS 46 2HZ LYS 46 0.878 10.946 -12.865
334 3HZ LYS 46 3HZ LYS 46 0.018 10.081 -11.756
Start of MODEL 9
1 1H LYS 1 1H LYS 1 1.812 0.123 1.013
2 2H LYS 1 2H LYS 1 0.770 1.360 0.779
3 3H LYS 1 3H LYS 1 0.324 -0.157 0.337
4 HA LYS 1 HA LYS 1 2.163 -0.174 -1.261
5 1HB LYS 1 1HB LYS 1 -0.169 0.220 -1.914
6 2HB LYS 1 2HB LYS 1 0.025 1.961 -1.647
7 1HG LYS 1 1HG LYS 1 1.695 2.056 -3.430
8 2HG LYS 1 2HG LYS 1 1.613 0.304 -3.671
9 1HD LYS 1 1HD LYS 1 -0.663 0.485 -4.497
10 2HD LYS 1 2HD LYS 1 -0.752 2.198 -4.058
11 1HE LYS 1 1HE LYS 1 1.242 1.061 -6.074
12 2HE LYS 1 2HE LYS 1 -0.328 1.750 -6.518
13 1HZ LYS 1 1HZ LYS 1 0.340 3.830 -5.658
14 2HZ LYS 1 2HZ LYS 1 1.776 3.242 -5.100
15 3HZ LYS 1 3HZ LYS 1 1.495 3.329 -6.710
16 H SER 2 H SER 2 3.689 1.111 -2.488
17 HA SER 2 HA SER 2 4.879 3.372 -1.042
18 1HB SER 2 1HB SER 2 5.686 2.206 -3.729
19 2HB SER 2 2HB SER 2 6.673 3.188 -2.630
20 HG SER 2 HG SER 2 6.323 1.343 -1.122
21 H CYS 3 H CYS 3 4.732 5.448 -1.617
22 HA CYS 3 HA CYS 3 2.652 6.148 -3.653
23 1HB CYS 3 1HB CYS 3 2.958 6.727 -0.691
24 2HB CYS 3 2HB CYS 3 1.839 7.605 -1.730
25 H CYS 4 H CYS 4 3.617 7.434 -5.089
26 HA CYS 4 HA CYS 4 5.468 9.570 -4.152
27 1HB CYS 4 1HB CYS 4 5.392 7.983 -6.734
28 2HB CYS 4 2HB CYS 4 6.398 9.390 -6.489
29 HA PRO 5 HA PRO 5 2.616 12.548 -5.793
30 1HB PRO 5 1HB PRO 5 4.292 14.560 -6.594
31 2HB PRO 5 2HB PRO 5 3.949 14.181 -4.896
32 1HG PRO 5 1HG PRO 5 6.337 13.257 -6.507
33 2HG PRO 5 2HG PRO 5 6.320 13.995 -4.879
34 1HD PRO 5 1HD PRO 5 6.476 11.332 -5.204
35 2HD PRO 5 2HD PRO 5 5.445 12.007 -3.909
36 H ASN 6 H ASN 6 5.430 11.719 -7.872
37 HA ASN 6 HA ASN 6 3.735 11.682 -10.262
38 1HB ASN 6 1HB ASN 6 5.168 13.317 -11.471
39 2HB ASN 6 2HB ASN 6 4.161 14.015 -10.205
40 1HD2 ASN 6 1HD2 ASN 6 6.809 15.108 -8.170
41 2HD2 ASN 6 2HD2 ASN 6 5.089 15.006 -8.464
42 H THR 7 H THR 7 5.080 11.213 -12.208
43 HA THR 7 HA THR 7 6.403 8.765 -11.878
44 HB THR 7 HB THR 7 6.522 10.678 -14.247
45 HG1 THR 7 HG1 THR 7 4.621 8.675 -13.607
46 1HG2 THR 7 1HG2 THR 7 6.721 7.633 -14.060
47 2HG2 THR 7 2HG2 THR 7 6.661 8.576 -15.564
48 3HG2 THR 7 3HG2 THR 7 8.049 8.739 -14.474
49 H THR 8 H THR 8 7.704 12.107 -12.244
50 HA THR 8 HA THR 8 10.410 11.312 -12.614
51 HB THR 8 HB THR 8 9.587 13.935 -11.368
52 HG1 THR 8 HG1 THR 8 9.428 13.156 -14.091
53 1HG2 THR 8 1HG2 THR 8 11.724 13.111 -13.393
54 2HG2 THR 8 2HG2 THR 8 11.463 14.748 -12.758
55 3HG2 THR 8 3HG2 THR 8 12.013 13.453 -11.673
56 H GLY 9 H GLY 9 8.473 11.973 -9.734
57 1HA GLY 9 1HA GLY 9 10.585 11.767 -7.790
58 2HA GLY 9 2HA GLY 9 8.848 11.614 -7.503
59 H ARG 10 H ARG 10 8.160 9.416 -9.106
60 HA ARG 10 HA ARG 10 8.997 7.113 -7.696
61 1HB ARG 10 1HB ARG 10 6.921 7.323 -8.978
62 2HB ARG 10 2HB ARG 10 7.824 7.504 -10.478
63 1HG ARG 10 1HG ARG 10 6.901 5.245 -10.198
64 2HG ARG 10 2HG ARG 10 8.653 5.276 -10.400
65 1HD ARG 10 1HD ARG 10 7.994 3.701 -8.686
66 2HD ARG 10 2HD ARG 10 8.947 4.978 -7.939
67 HE ARG 10 HE ARG 10 6.292 5.784 -7.679
68 1HH1 ARG 10 1HH1 ARG 10 4.871 5.206 -5.978
69 2HH1 ARG 10 2HH1 ARG 10 5.189 3.810 -5.004
70 1HH2 ARG 10 1HH2 ARG 10 8.214 2.978 -6.661
71 2HH2 ARG 10 2HH2 ARG 10 7.129 2.546 -5.367
72 H ASN 11 H ASN 11 10.329 8.696 -10.605
73 HA ASN 11 HA ASN 11 12.129 6.536 -11.242
74 1HB ASN 11 1HB ASN 11 12.371 9.491 -11.942
75 2HB ASN 11 2HB ASN 11 13.272 8.164 -12.664
76 1HD2 ASN 11 1HD2 ASN 11 10.236 9.256 -14.724
77 2HD2 ASN 11 2HD2 ASN 11 11.523 10.140 -13.939
78 H ILE 12 H ILE 12 12.545 9.624 -9.359
79 HA ILE 12 HA ILE 12 15.323 9.074 -8.953
80 HB ILE 12 HB ILE 12 13.880 11.304 -8.740
81 1HG1 ILE 12 1HG1 ILE 12 16.250 11.315 -8.923
82 2HG1 ILE 12 2HG1 ILE 12 15.801 12.321 -7.545
83 1HG2 ILE 12 1HG2 ILE 12 14.154 10.507 -5.817
84 2HG2 ILE 12 2HG2 ILE 12 13.691 12.087 -6.464
85 3HG2 ILE 12 3HG2 ILE 12 12.649 10.692 -6.739
86 1HD1 ILE 12 1HD1 ILE 12 16.367 10.302 -6.041
87 2HD1 ILE 12 2HD1 ILE 12 17.046 9.538 -7.493
88 3HD1 ILE 12 3HD1 ILE 12 17.728 11.045 -6.896
89 H TYR 13 H TYR 13 12.393 8.572 -6.954
90 HA TYR 13 HA TYR 13 13.474 7.459 -4.673
91 1HB TYR 13 1HB TYR 13 11.098 8.010 -5.028
92 2HB TYR 13 2HB TYR 13 10.958 6.769 -6.262
93 HD1 TYR 13 HD1 TYR 13 9.842 4.815 -5.599
94 HD2 TYR 13 HD2 TYR 13 12.012 7.115 -2.686
95 HE1 TYR 13 HE1 TYR 13 8.969 3.361 -3.809
96 HE2 TYR 13 HE2 TYR 13 11.182 5.639 -0.889
97 HH TYR 13 HH TYR 13 9.898 3.817 -0.364
98 H ASN 14 H ASN 14 12.672 5.941 -7.804
99 HA ASN 14 HA ASN 14 13.480 3.367 -7.009
100 1HB ASN 14 1HB ASN 14 12.960 4.719 -9.689
101 2HB ASN 14 2HB ASN 14 13.527 3.070 -9.640
102 1HD2 ASN 14 1HD2 ASN 14 9.709 3.323 -9.704
103 2HD2 ASN 14 2HD2 ASN 14 10.906 4.310 -10.510
104 H ALA 15 H ALA 15 15.237 6.022 -8.522
105 HA ALA 15 HA ALA 15 17.545 4.498 -9.315
106 1HB ALA 15 1HB ALA 15 18.657 6.671 -9.493
107 2HB ALA 15 2HB ALA 15 17.044 6.724 -10.231
108 3HB ALA 15 3HB ALA 15 17.318 7.455 -8.636
109 H CYS 16 H CYS 16 16.661 6.329 -6.394
110 HA CYS 16 HA CYS 16 19.027 6.022 -4.881
111 1HB CYS 16 1HB CYS 16 17.149 7.584 -4.400
112 2HB CYS 16 2HB CYS 16 16.121 6.234 -4.038
113 H ARG 17 H ARG 17 15.959 4.073 -4.868
114 HA ARG 17 HA ARG 17 16.787 2.082 -3.122
115 1HB ARG 17 1HB ARG 17 14.908 2.006 -5.511
116 2HB ARG 17 2HB ARG 17 14.984 0.724 -4.306
117 1HG ARG 17 1HG ARG 17 14.608 3.528 -3.242
118 2HG ARG 17 2HG ARG 17 13.267 2.834 -4.163
119 1HD ARG 17 1HD ARG 17 13.184 2.457 -1.696
120 2HD ARG 17 2HD ARG 17 13.066 1.009 -2.715
121 HE ARG 17 HE ARG 17 15.638 1.902 -1.463
122 1HH1 ARG 17 1HH1 ARG 17 16.747 0.408 -0.217
123 2HH1 ARG 17 2HH1 ARG 17 15.966 -1.099 0.226
124 1HH2 ARG 17 1HH2 ARG 17 13.074 -0.601 -1.654
125 2HH2 ARG 17 2HH2 ARG 17 13.976 -1.715 -0.666
126 H LEU 18 H LEU 18 17.182 2.150 -6.695
127 HA LEU 18 HA LEU 18 18.333 -0.429 -6.949
128 1HB LEU 18 1HB LEU 18 18.521 2.101 -8.619
129 2HB LEU 18 2HB LEU 18 19.265 0.583 -9.121
130 HG LEU 18 HG LEU 18 16.324 0.744 -8.424
131 1HD1 LEU 18 1HD1 LEU 18 16.765 2.375 -10.234
132 2HD1 LEU 18 2HD1 LEU 18 17.614 1.122 -11.164
133 3HD1 LEU 18 3HD1 LEU 18 15.870 0.977 -10.850
134 1HD2 LEU 18 1HD2 LEU 18 17.257 -1.544 -8.532
135 2HD2 LEU 18 2HD2 LEU 18 16.180 -1.250 -9.899
136 3HD2 LEU 18 3HD2 LEU 18 17.938 -1.201 -10.135
137 H THR 19 H THR 19 19.803 2.736 -6.227
138 HA THR 19 HA THR 19 22.502 1.570 -6.081
139 HB THR 19 HB THR 19 23.137 3.830 -5.249
140 HG1 THR 19 HG1 THR 19 20.863 4.205 -4.473
141 1HG2 THR 19 1HG2 THR 19 22.775 4.982 -7.377
142 2HG2 THR 19 2HG2 THR 19 23.227 3.288 -7.648
143 3HG2 THR 19 3HG2 THR 19 21.537 3.800 -7.842
144 H GLY 20 H GLY 20 20.326 0.395 -4.380
145 1HA GLY 20 1HA GLY 20 20.333 -0.752 -2.461
146 2HA GLY 20 2HA GLY 20 22.056 -0.379 -2.339
147 H ALA 21 H ALA 21 19.712 2.270 -2.310
148 HA ALA 21 HA ALA 21 20.450 2.821 0.511
149 1HB ALA 21 1HB ALA 21 19.511 5.080 0.013
150 2HB ALA 21 2HB ALA 21 20.878 4.606 -1.018
151 3HB ALA 21 3HB ALA 21 19.229 4.522 -1.650
152 HA PRO 22 HA PRO 22 16.634 1.266 1.881
153 1HB PRO 22 1HB PRO 22 16.274 2.431 4.317
154 2HB PRO 22 2HB PRO 22 17.645 1.351 3.950
155 1HG PRO 22 1HG PRO 22 17.616 4.375 3.830
156 2HG PRO 22 2HG PRO 22 18.770 3.339 4.722
157 1HD PRO 22 1HD PRO 22 19.369 4.279 2.253
158 2HD PRO 22 2HD PRO 22 19.786 2.597 2.705
159 H ARG 23 H ARG 23 14.381 1.596 2.200
160 HA ARG 23 HA ARG 23 13.130 3.336 0.527
161 1HB ARG 23 1HB ARG 23 12.112 1.863 2.982
162 2HB ARG 23 2HB ARG 23 11.061 2.768 1.874
163 1HG ARG 23 1HG ARG 23 11.833 1.410 -0.013
164 2HG ARG 23 2HG ARG 23 12.850 0.444 1.093
165 1HD ARG 23 1HD ARG 23 10.926 -0.281 2.348
166 2HD ARG 23 2HD ARG 23 9.879 0.875 1.540
167 HE ARG 23 HE ARG 23 10.856 -1.698 0.569
168 1HH1 ARG 23 1HH1 ARG 23 9.739 -2.616 -1.228
169 2HH1 ARG 23 2HH1 ARG 23 8.756 -1.608 -2.257
170 1HH2 ARG 23 1HH2 ARG 23 9.354 1.368 -0.460
171 2HH2 ARG 23 2HH2 ARG 23 8.461 0.637 -1.764
172 HA PRO 24 HA PRO 24 11.718 6.316 4.012
173 1HB PRO 24 1HB PRO 24 13.386 6.675 6.215
174 2HB PRO 24 2HB PRO 24 11.944 5.625 6.156
175 1HG PRO 24 1HG PRO 24 14.827 4.823 5.691
176 2HG PRO 24 2HG PRO 24 13.621 4.031 6.751
177 1HD PRO 24 1HD PRO 24 14.068 3.038 4.331
178 2HD PRO 24 2HD PRO 24 12.379 3.241 4.859
179 H THR 25 H THR 25 15.307 5.971 3.703
180 HA THR 25 HA THR 25 15.833 8.773 3.647
181 HB THR 25 HB THR 25 17.407 6.467 2.412
182 HG1 THR 25 HG1 THR 25 17.515 7.687 4.972
183 1HG2 THR 25 1HG2 THR 25 18.223 8.649 1.597
184 2HG2 THR 25 2HG2 THR 25 18.274 9.269 3.263
185 3HG2 THR 25 3HG2 THR 25 19.363 7.958 2.762
186 H CYS 26 H CYS 26 15.295 6.383 1.048
187 HA CYS 26 HA CYS 26 15.636 8.207 -1.133
188 1HB CYS 26 1HB CYS 26 14.118 5.569 -0.984
189 2HB CYS 26 2HB CYS 26 14.569 6.408 -2.443
190 H ALA 27 H ALA 27 12.872 7.203 0.835
191 HA ALA 27 HA ALA 27 10.786 8.248 -0.741
192 1HB ALA 27 1HB ALA 27 9.454 8.158 1.309
193 2HB ALA 27 2HB ALA 27 10.408 6.686 1.120
194 3HB ALA 27 3HB ALA 27 10.916 7.932 2.280
195 H LYS 28 H LYS 28 12.973 9.805 1.644
196 HA LYS 28 HA LYS 28 11.460 12.362 1.361
197 1HB LYS 28 1HB LYS 28 13.783 11.683 3.141
198 2HB LYS 28 2HB LYS 28 12.821 13.171 3.165
199 1HG LYS 28 1HG LYS 28 11.780 10.358 3.751
200 2HG LYS 28 2HG LYS 28 12.189 11.607 4.920
201 1HD LYS 28 1HD LYS 28 9.929 11.725 4.888
202 2HD LYS 28 2HD LYS 28 10.342 13.046 3.791
203 1HE LYS 28 1HE LYS 28 9.536 11.805 1.890
204 2HE LYS 28 2HE LYS 28 9.720 10.251 2.725
205 1HZ LYS 28 1HZ LYS 28 7.734 12.322 3.311
206 2HZ LYS 28 2HZ LYS 28 7.493 10.920 2.471
207 3HZ LYS 28 3HZ LYS 28 7.867 10.865 4.079
208 H LEU 29 H LEU 29 14.432 10.917 0.151
209 HA LEU 29 HA LEU 29 15.483 13.327 -0.971
210 1HB LEU 29 1HB LEU 29 16.728 11.207 -0.891
211 2HB LEU 29 2HB LEU 29 15.545 10.453 -1.966
212 HG LEU 29 HG LEU 29 16.188 11.984 -3.799
213 1HD1 LEU 29 1HD1 LEU 29 16.959 13.962 -2.563
214 2HD1 LEU 29 2HD1 LEU 29 18.263 13.015 -1.808
215 3HD1 LEU 29 3HD1 LEU 29 18.280 13.337 -3.554
216 1HD2 LEU 29 1HD2 LEU 29 18.399 10.990 -4.212
217 2HD2 LEU 29 2HD2 LEU 29 18.529 10.530 -2.501
218 3HD2 LEU 29 3HD2 LEU 29 17.281 9.796 -3.530
219 H SER 30 H SER 30 13.006 10.967 -2.041
220 HA SER 30 HA SER 30 12.442 12.361 -4.522
221 1HB SER 30 1HB SER 30 10.847 10.537 -4.825
222 2HB SER 30 2HB SER 30 12.426 9.902 -4.316
223 HG SER 30 HG SER 30 11.610 9.754 -2.198
224 H GLY 31 H GLY 31 10.941 12.181 -1.267
225 1HA GLY 31 1HA GLY 31 9.174 13.433 -0.447
226 2HA GLY 31 2HA GLY 31 8.802 14.072 -2.050
227 H CYS 32 H CYS 32 9.354 10.603 -1.921
228 HA CYS 32 HA CYS 32 6.516 9.982 -2.214
229 1HB CYS 32 1HB CYS 32 8.861 8.112 -1.990
230 2HB CYS 32 2HB CYS 32 7.222 7.708 -2.466
231 H LYS 33 H LYS 33 5.829 7.956 -0.751
232 HA LYS 33 HA LYS 33 6.871 7.872 1.954
233 1HB LYS 33 1HB LYS 33 4.716 8.536 2.988
234 2HB LYS 33 2HB LYS 33 5.470 9.856 2.120
235 1HG LYS 33 1HG LYS 33 3.866 8.659 0.136
236 2HG LYS 33 2HG LYS 33 2.953 8.371 1.584
237 1HD LYS 33 1HD LYS 33 2.219 10.418 0.547
238 2HD LYS 33 2HD LYS 33 3.028 10.847 2.062
239 1HE LYS 33 1HE LYS 33 3.673 12.394 0.268
240 2HE LYS 33 2HE LYS 33 5.089 11.466 0.751
241 1HZ LYS 33 1HZ LYS 33 4.668 10.031 -1.160
242 2HZ LYS 33 2HZ LYS 33 3.433 11.008 -1.617
243 3HZ LYS 33 3HZ LYS 33 4.973 11.601 -1.562
244 H ILE 34 H ILE 34 5.359 6.307 3.223
245 HA ILE 34 HA ILE 34 4.406 4.113 1.430
246 HB ILE 34 HB ILE 34 6.226 4.127 3.857
247 1HG1 ILE 34 1HG1 ILE 34 7.033 4.529 1.366
248 2HG1 ILE 34 2HG1 ILE 34 7.927 3.506 2.464
249 1HG2 ILE 34 1HG2 ILE 34 4.843 1.742 2.568
250 2HG2 ILE 34 2HG2 ILE 34 6.274 1.624 3.622
251 3HG2 ILE 34 3HG2 ILE 34 4.760 2.277 4.254
252 1HD1 ILE 34 1HD1 ILE 34 7.158 1.514 1.372
253 2HD1 ILE 34 2HD1 ILE 34 5.821 2.376 0.594
254 3HD1 ILE 34 3HD1 ILE 34 7.487 2.671 0.064
255 H ILE 35 H ILE 35 2.416 3.378 1.922
256 HA ILE 35 HA ILE 35 1.260 4.019 4.613
257 HB ILE 35 HB ILE 35 -0.849 4.280 3.618
258 1HG1 ILE 35 1HG1 ILE 35 0.431 3.802 0.902
259 2HG1 ILE 35 2HG1 ILE 35 -0.597 2.649 1.745
260 1HG2 ILE 35 1HG2 ILE 35 -0.533 6.413 2.541
261 2HG2 ILE 35 2HG2 ILE 35 0.749 6.223 3.738
262 3HG2 ILE 35 3HG2 ILE 35 1.106 5.978 2.016
263 1HD1 ILE 35 1HD1 ILE 35 -2.446 4.291 1.788
264 2HD1 ILE 35 2HD1 ILE 35 -1.465 5.373 0.766
265 3HD1 ILE 35 3HD1 ILE 35 -1.933 3.767 0.167
266 H SER 36 H SER 36 -0.552 2.601 5.190
267 HA SER 36 HA SER 36 0.077 -0.225 4.848
268 1HB SER 36 1HB SER 36 -0.663 0.806 7.015
269 2HB SER 36 2HB SER 36 -2.249 1.119 6.281
270 HG SER 36 HG SER 36 -2.317 -1.194 5.864
271 H GLY 37 H GLY 37 -2.062 2.125 3.435
272 1HA GLY 37 1HA GLY 37 -4.238 0.575 2.571
273 2HA GLY 37 2HA GLY 37 -3.649 2.055 1.803
274 H SER 38 H SER 38 -4.807 -0.079 0.352
275 HA SER 38 HA SER 38 -2.743 -1.738 -0.867
276 1HB SER 38 1HB SER 38 -4.736 -2.420 -2.239
277 2HB SER 38 2HB SER 38 -4.952 -2.663 -0.497
278 HG SER 38 HG SER 38 -6.012 -0.589 -2.116
279 H THR 39 H THR 39 -4.781 1.090 -1.494
280 HA THR 39 HA THR 39 -3.212 1.801 -3.927
281 HB THR 39 HB THR 39 -5.964 2.837 -3.230
282 HG1 THR 39 HG1 THR 39 -5.376 0.451 -4.659
283 1HG2 THR 39 1HG2 THR 39 -6.148 3.045 -5.668
284 2HG2 THR 39 2HG2 THR 39 -4.728 3.922 -5.060
285 3HG2 THR 39 3HG2 THR 39 -4.523 2.344 -5.861
286 H CYS 40 H CYS 40 -2.550 3.959 -4.082
287 HA CYS 40 HA CYS 40 -2.213 5.470 -1.582
288 1HB CYS 40 1HB CYS 40 -1.258 5.861 -4.442
289 2HB CYS 40 2HB CYS 40 -0.813 6.880 -3.080
290 HA PRO 41 HA PRO 41 -5.545 8.244 -2.687
291 1HB PRO 41 1HB PRO 41 -4.791 10.653 -1.660
292 2HB PRO 41 2HB PRO 41 -5.160 9.250 -0.618
293 1HG PRO 41 1HG PRO 41 -2.429 10.131 -1.602
294 2HG PRO 41 2HG PRO 41 -2.931 9.836 0.090
295 1HD PRO 41 1HD PRO 41 -1.678 7.922 -1.345
296 2HD PRO 41 2HD PRO 41 -3.042 7.477 -0.283
297 H SER 42 H SER 42 -6.002 10.288 -3.893
298 HA SER 42 HA SER 42 -4.736 10.316 -6.437
299 1HB SER 42 1HB SER 42 -7.112 10.938 -5.975
300 2HB SER 42 2HB SER 42 -6.542 12.429 -5.192
301 HG SER 42 HG SER 42 -5.465 12.868 -7.238
302 H ASP 43 H ASP 43 -3.867 11.906 -3.469
303 HA ASP 43 HA ASP 43 -2.422 14.135 -4.517
304 1HB ASP 43 1HB ASP 43 -2.102 12.568 -1.926
305 2HB ASP 43 2HB ASP 43 -1.416 14.164 -2.273
306 H TYR 44 H TYR 44 -1.537 10.719 -3.750
307 HA TYR 44 HA TYR 44 1.117 11.132 -5.042
308 1HB TYR 44 1HB TYR 44 0.651 9.549 -2.516
309 2HB TYR 44 2HB TYR 44 2.182 10.013 -3.246
310 HD1 TYR 44 HD1 TYR 44 -0.212 10.806 -0.733
311 HD2 TYR 44 HD2 TYR 44 2.580 12.649 -3.450
312 HE1 TYR 44 HE1 TYR 44 -0.242 12.860 0.635
313 HE2 TYR 44 HE2 TYR 44 2.544 14.713 -2.082
314 HH TYR 44 HH TYR 44 0.516 15.030 0.852
315 HA PRO 45 HA PRO 45 -1.569 7.485 -6.216
316 1HB PRO 45 1HB PRO 45 -1.816 7.801 -8.932
317 2HB PRO 45 2HB PRO 45 -2.804 8.666 -7.722
318 1HG PRO 45 1HG PRO 45 -0.306 9.677 -9.103
319 2HG PRO 45 2HG PRO 45 -1.880 10.507 -8.938
320 1HD PRO 45 1HD PRO 45 0.164 11.028 -7.232
321 2HD PRO 45 2HD PRO 45 -1.520 10.896 -6.645
322 H LYS 46 H LYS 46 1.611 8.406 -7.546
323 HA LYS 46 HA LYS 46 1.919 6.005 -9.149
324 1HB LYS 46 1HB LYS 46 3.752 8.245 -8.264
325 2HB LYS 46 2HB LYS 46 4.410 6.766 -8.972
326 1HG LYS 46 1HG LYS 46 4.172 8.435 -10.672
327 2HG LYS 46 2HG LYS 46 3.082 7.083 -11.006
328 1HD LYS 46 1HD LYS 46 1.170 8.346 -10.222
329 2HD LYS 46 2HD LYS 46 2.216 9.664 -9.629
330 1HE LYS 46 1HE LYS 46 2.936 10.091 -11.988
331 2HE LYS 46 2HE LYS 46 1.846 8.806 -12.539
332 1HZ LYS 46 1HZ LYS 46 0.023 10.070 -11.656
333 2HZ LYS 46 2HZ LYS 46 1.042 11.258 -11.134
334 3HZ LYS 46 3HZ LYS 46 0.872 10.967 -12.748
Start of MODEL 10
1 1H LYS 1 1H LYS 1 0.386 0.863 0.279
2 2H LYS 1 2H LYS 1 0.605 -0.726 -0.053
3 3H LYS 1 3H LYS 1 1.804 0.143 0.686
4 HA LYS 1 HA LYS 1 2.152 -0.336 -1.698
5 1HB LYS 1 1HB LYS 1 -0.180 -0.084 -2.339
6 2HB LYS 1 2HB LYS 1 -0.159 1.636 -1.903
7 1HG LYS 1 1HG LYS 1 1.437 2.084 -3.684
8 2HG LYS 1 2HG LYS 1 1.511 0.367 -4.123
9 1HD LYS 1 1HD LYS 1 -0.845 0.445 -4.810
10 2HD LYS 1 2HD LYS 1 -0.998 2.114 -4.234
11 1HE LYS 1 1HE LYS 1 0.947 1.245 -6.424
12 2HE LYS 1 2HE LYS 1 -0.669 1.898 -6.736
13 1HZ LYS 1 1HZ LYS 1 1.081 3.564 -6.872
14 2HZ LYS 1 2HZ LYS 1 -0.042 3.928 -5.730
15 3HZ LYS 1 3HZ LYS 1 1.440 3.354 -5.289
16 H SER 2 H SER 2 3.479 1.106 -2.958
17 HA SER 2 HA SER 2 4.709 3.293 -1.420
18 1HB SER 2 1HB SER 2 6.365 3.282 -3.248
19 2HB SER 2 2HB SER 2 6.203 1.697 -2.478
20 HG SER 2 HG SER 2 4.964 1.001 -4.203
21 H CYS 3 H CYS 3 4.679 5.363 -1.942
22 HA CYS 3 HA CYS 3 2.471 6.222 -3.772
23 1HB CYS 3 1HB CYS 3 3.010 6.652 -0.816
24 2HB CYS 3 2HB CYS 3 1.807 7.563 -1.726
25 H CYS 4 H CYS 4 3.511 7.434 -5.235
26 HA CYS 4 HA CYS 4 5.389 9.552 -4.309
27 1HB CYS 4 1HB CYS 4 5.267 7.952 -6.886
28 2HB CYS 4 2HB CYS 4 6.265 9.369 -6.674
29 HA PRO 5 HA PRO 5 2.582 12.567 -5.992
30 1HB PRO 5 1HB PRO 5 4.294 14.529 -6.838
31 2HB PRO 5 2HB PRO 5 3.950 14.193 -5.131
32 1HG PRO 5 1HG PRO 5 6.312 13.192 -6.732
33 2HG PRO 5 2HG PRO 5 6.318 13.961 -5.119
34 1HD PRO 5 1HD PRO 5 6.421 11.288 -5.393
35 2HD PRO 5 2HD PRO 5 5.416 12.008 -4.103
36 H ASN 6 H ASN 6 5.388 11.637 -8.043
37 HA ASN 6 HA ASN 6 3.687 11.470 -10.417
38 1HB ASN 6 1HB ASN 6 5.127 13.050 -11.716
39 2HB ASN 6 2HB ASN 6 4.099 13.805 -10.501
40 1HD2 ASN 6 1HD2 ASN 6 6.716 15.030 -8.495
41 2HD2 ASN 6 2HD2 ASN 6 4.998 14.887 -8.791
42 H THR 7 H THR 7 5.070 10.940 -12.351
43 HA THR 7 HA THR 7 6.452 8.524 -11.883
44 HB THR 7 HB THR 7 6.393 10.291 -14.358
45 HG1 THR 7 HG1 THR 7 4.345 9.626 -13.650
46 1HG2 THR 7 1HG2 THR 7 7.076 7.334 -13.998
47 2HG2 THR 7 2HG2 THR 7 6.811 8.143 -15.557
48 3HG2 THR 7 3HG2 THR 7 8.184 8.611 -14.544
49 H THR 8 H THR 8 7.658 11.887 -12.382
50 HA THR 8 HA THR 8 10.381 11.141 -12.735
51 HB THR 8 HB THR 8 9.511 13.781 -11.560
52 HG1 THR 8 HG1 THR 8 9.122 14.389 -13.722
53 1HG2 THR 8 1HG2 THR 8 11.372 14.594 -12.963
54 2HG2 THR 8 2HG2 THR 8 11.945 13.331 -11.855
55 3HG2 THR 8 3HG2 THR 8 11.658 12.950 -13.566
56 H GLY 9 H GLY 9 8.447 11.858 -9.866
57 1HA GLY 9 1HA GLY 9 10.570 11.729 -7.927
58 2HA GLY 9 2HA GLY 9 8.837 11.555 -7.626
59 H ARG 10 H ARG 10 8.165 9.316 -9.157
60 HA ARG 10 HA ARG 10 9.036 7.054 -7.715
61 1HB ARG 10 1HB ARG 10 6.965 7.209 -9.016
62 2HB ARG 10 2HB ARG 10 7.878 7.378 -10.510
63 1HG ARG 10 1HG ARG 10 7.013 5.116 -10.248
64 2HG ARG 10 2HG ARG 10 8.770 5.168 -10.365
65 1HD ARG 10 1HD ARG 10 8.071 3.611 -8.659
66 2HD ARG 10 2HD ARG 10 8.929 4.926 -7.871
67 HE ARG 10 HE ARG 10 6.264 5.686 -7.772
68 1HH1 ARG 10 1HH1 ARG 10 4.663 5.007 -6.247
69 2HH1 ARG 10 2HH1 ARG 10 4.939 3.565 -5.306
70 1HH2 ARG 10 1HH2 ARG 10 8.118 2.862 -6.634
71 2HH2 ARG 10 2HH2 ARG 10 6.867 2.379 -5.505
72 H ASN 11 H ASN 11 10.372 8.584 -10.650
73 HA ASN 11 HA ASN 11 12.194 6.422 -11.221
74 1HB ASN 11 1HB ASN 11 12.414 9.361 -11.992
75 2HB ASN 11 2HB ASN 11 13.333 8.025 -12.674
76 1HD2 ASN 11 1HD2 ASN 11 10.299 9.031 -14.782
77 2HD2 ASN 11 2HD2 ASN 11 11.558 9.956 -14.000
78 H ILE 12 H ILE 12 12.564 9.557 -9.409
79 HA ILE 12 HA ILE 12 15.344 9.041 -8.969
80 HB ILE 12 HB ILE 12 13.884 11.263 -8.806
81 1HG1 ILE 12 1HG1 ILE 12 16.255 11.282 -8.979
82 2HG1 ILE 12 2HG1 ILE 12 15.793 12.315 -7.626
83 1HG2 ILE 12 1HG2 ILE 12 14.149 10.521 -5.868
84 2HG2 ILE 12 2HG2 ILE 12 13.684 12.089 -6.543
85 3HG2 ILE 12 3HG2 ILE 12 12.648 10.687 -6.799
86 1HD1 ILE 12 1HD1 ILE 12 17.724 11.064 -6.939
87 2HD1 ILE 12 2HD1 ILE 12 16.364 10.333 -6.074
88 3HD1 ILE 12 3HD1 ILE 12 17.053 9.540 -7.505
89 H TYR 13 H TYR 13 12.413 8.577 -6.946
90 HA TYR 13 HA TYR 13 13.486 7.488 -4.667
91 1HB TYR 13 1HB TYR 13 11.098 8.018 -5.056
92 2HB TYR 13 2HB TYR 13 10.992 6.760 -6.275
93 HD1 TYR 13 HD1 TYR 13 9.539 5.087 -5.516
94 HD2 TYR 13 HD2 TYR 13 12.304 6.897 -2.765
95 HE1 TYR 13 HE1 TYR 13 8.717 3.611 -3.726
96 HE2 TYR 13 HE2 TYR 13 11.514 5.400 -0.970
97 HH TYR 13 HH TYR 13 10.106 3.682 -0.403
98 H ASN 14 H ASN 14 12.712 5.905 -7.771
99 HA ASN 14 HA ASN 14 13.531 3.355 -6.912
100 1HB ASN 14 1HB ASN 14 13.021 4.643 -9.625
101 2HB ASN 14 2HB ASN 14 13.611 3.004 -9.538
102 1HD2 ASN 14 1HD2 ASN 14 9.790 3.206 -9.633
103 2HD2 ASN 14 2HD2 ASN 14 10.978 4.202 -10.443
104 H ALA 15 H ALA 15 15.282 5.989 -8.462
105 HA ALA 15 HA ALA 15 17.601 4.462 -9.217
106 1HB ALA 15 1HB ALA 15 18.707 6.634 -9.428
107 2HB ALA 15 2HB ALA 15 17.096 6.673 -10.172
108 3HB ALA 15 3HB ALA 15 17.364 7.430 -8.587
109 H CYS 16 H CYS 16 16.690 6.330 -6.325
110 HA CYS 16 HA CYS 16 19.063 6.049 -4.810
111 1HB CYS 16 1HB CYS 16 17.187 7.623 -4.344
112 2HB CYS 16 2HB CYS 16 16.162 6.280 -3.956
113 H ARG 17 H ARG 17 15.987 4.110 -4.754
114 HA ARG 17 HA ARG 17 16.808 2.159 -2.964
115 1HB ARG 17 1HB ARG 17 14.932 2.038 -5.354
116 2HB ARG 17 2HB ARG 17 15.004 0.777 -4.126
117 1HG ARG 17 1HG ARG 17 14.632 3.602 -3.114
118 2HG ARG 17 2HG ARG 17 13.291 2.891 -4.022
119 1HD ARG 17 1HD ARG 17 13.187 2.546 -1.553
120 2HD ARG 17 2HD ARG 17 13.102 1.080 -2.551
121 HE ARG 17 HE ARG 17 15.660 2.014 -1.307
122 1HH1 ARG 17 1HH1 ARG 17 16.772 0.543 -0.029
123 2HH1 ARG 17 2HH1 ARG 17 15.987 -0.949 0.455
124 1HH2 ARG 17 1HH2 ARG 17 13.072 -0.468 -1.394
125 2HH2 ARG 17 2HH2 ARG 17 13.982 -1.572 -0.402
126 H LEU 18 H LEU 18 17.211 2.143 -6.536
127 HA LEU 18 HA LEU 18 18.355 -0.442 -6.736
128 1HB LEU 18 1HB LEU 18 18.560 2.057 -8.450
129 2HB LEU 18 2HB LEU 18 19.302 0.528 -8.921
130 HG LEU 18 HG LEU 18 16.358 0.712 -8.244
131 1HD1 LEU 18 1HD1 LEU 18 16.819 2.306 -10.083
132 2HD1 LEU 18 2HD1 LEU 18 17.664 1.030 -10.983
133 3HD1 LEU 18 3HD1 LEU 18 15.918 0.902 -10.676
134 1HD2 LEU 18 1HD2 LEU 18 16.214 -1.309 -9.681
135 2HD2 LEU 18 2HD2 LEU 18 17.974 -1.272 -9.907
136 3HD2 LEU 18 3HD2 LEU 18 17.281 -1.581 -8.301
137 H THR 19 H THR 19 19.836 2.733 -6.072
138 HA THR 19 HA THR 19 22.530 1.559 -5.899
139 HB THR 19 HB THR 19 23.174 3.833 -5.111
140 HG1 THR 19 HG1 THR 19 20.896 4.231 -4.351
141 1HG2 THR 19 1HG2 THR 19 21.579 3.754 -7.707
142 2HG2 THR 19 2HG2 THR 19 22.820 4.942 -7.264
143 3HG2 THR 19 3HG2 THR 19 23.267 3.241 -7.498
144 H GLY 20 H GLY 20 20.346 0.430 -4.173
145 1HA GLY 20 1HA GLY 20 20.348 -0.678 -2.232
146 2HA GLY 20 2HA GLY 20 22.073 -0.315 -2.121
147 H ALA 21 H ALA 21 19.746 2.347 -2.142
148 HA ALA 21 HA ALA 21 20.486 2.948 0.670
149 1HB ALA 21 1HB ALA 21 19.333 4.617 -1.551
150 2HB ALA 21 2HB ALA 21 19.553 5.210 0.109
151 3HB ALA 21 3HB ALA 21 20.954 4.704 -0.858
152 HA PRO 22 HA PRO 22 16.699 1.432 2.072
153 1HB PRO 22 1HB PRO 22 16.329 2.636 4.486
154 2HB PRO 22 2HB PRO 22 17.723 1.581 4.130
155 1HG PRO 22 1HG PRO 22 17.622 4.602 3.947
156 2HG PRO 22 2HG PRO 22 18.803 3.612 4.856
157 1HD PRO 22 1HD PRO 22 19.374 4.505 2.364
158 2HD PRO 22 2HD PRO 22 19.823 2.843 2.853
159 H ARG 23 H ARG 23 14.452 1.726 2.491
160 HA ARG 23 HA ARG 23 13.106 3.309 0.745
161 1HB ARG 23 1HB ARG 23 12.115 2.115 3.356
162 2HB ARG 23 2HB ARG 23 11.090 2.717 2.042
163 1HG ARG 23 1HG ARG 23 12.122 1.073 0.497
164 2HG ARG 23 2HG ARG 23 13.103 0.417 1.824
165 1HD ARG 23 1HD ARG 23 10.085 0.545 1.716
166 2HD ARG 23 2HD ARG 23 11.032 -0.914 1.418
167 HE ARG 23 HE ARG 23 10.312 0.296 3.967
168 1HH1 ARG 23 1HH1 ARG 23 10.928 -0.725 5.909
169 2HH1 ARG 23 2HH1 ARG 23 12.151 -1.968 5.904
170 1HH2 ARG 23 1HH2 ARG 23 12.701 -1.826 2.415
171 2HH2 ARG 23 2HH2 ARG 23 13.164 -2.598 3.910
172 HA PRO 24 HA PRO 24 11.656 6.483 4.032
173 1HB PRO 24 1HB PRO 24 13.281 7.033 6.215
174 2HB PRO 24 2HB PRO 24 11.899 5.902 6.216
175 1HG PRO 24 1HG PRO 24 14.825 5.230 5.791
176 2HG PRO 24 2HG PRO 24 13.669 4.449 6.912
177 1HD PRO 24 1HD PRO 24 14.147 3.322 4.552
178 2HD PRO 24 2HD PRO 24 12.457 3.477 5.101
179 H THR 25 H THR 25 15.247 6.187 3.801
180 HA THR 25 HA THR 25 15.747 8.976 3.605
181 HB THR 25 HB THR 25 17.374 6.633 2.518
182 HG1 THR 25 HG1 THR 25 17.395 7.947 5.033
183 1HG2 THR 25 1HG2 THR 25 19.308 8.149 2.870
184 2HG2 THR 25 2HG2 THR 25 18.198 8.791 1.648
185 3HG2 THR 25 3HG2 THR 25 18.197 9.470 3.291
186 H CYS 26 H CYS 26 15.316 6.459 1.107
187 HA CYS 26 HA CYS 26 15.659 8.207 -1.142
188 1HB CYS 26 1HB CYS 26 14.245 5.517 -0.864
189 2HB CYS 26 2HB CYS 26 14.624 6.288 -2.374
190 H ALA 27 H ALA 27 12.879 7.159 0.772
191 HA ALA 27 HA ALA 27 10.815 8.123 -0.904
192 1HB ALA 27 1HB ALA 27 10.372 6.579 0.934
193 2HB ALA 27 2HB ALA 27 10.872 7.804 2.122
194 3HB ALA 27 3HB ALA 27 9.428 8.053 1.134
195 H LYS 28 H LYS 28 12.803 9.720 1.638
196 HA LYS 28 HA LYS 28 11.299 12.258 1.235
197 1HB LYS 28 1HB LYS 28 13.461 11.480 3.193
198 2HB LYS 28 2HB LYS 28 12.648 13.053 3.135
199 1HG LYS 28 1HG LYS 28 11.267 10.366 3.605
200 2HG LYS 28 2HG LYS 28 11.693 11.566 4.828
201 1HD LYS 28 1HD LYS 28 9.552 12.250 4.573
202 2HD LYS 28 2HD LYS 28 10.231 13.170 3.235
203 1HE LYS 28 1HE LYS 28 8.256 12.106 2.386
204 2HE LYS 28 2HE LYS 28 9.572 11.172 1.721
205 1HZ LYS 28 1HZ LYS 28 7.939 9.765 2.526
206 2HZ LYS 28 2HZ LYS 28 9.275 9.575 3.472
207 3HZ LYS 28 3HZ LYS 28 7.977 10.420 4.045
208 H LEU 29 H LEU 29 14.294 10.865 0.093
209 HA LEU 29 HA LEU 29 15.354 13.332 -0.926
210 1HB LEU 29 1HB LEU 29 16.643 11.242 -0.875
211 2HB LEU 29 2HB LEU 29 15.489 10.480 -1.973
212 HG LEU 29 HG LEU 29 16.115 12.058 -3.774
213 1HD1 LEU 29 1HD1 LEU 29 18.178 13.443 -3.487
214 2HD1 LEU 29 2HD1 LEU 29 16.842 14.024 -2.490
215 3HD1 LEU 29 3HD1 LEU 29 18.158 13.084 -1.748
216 1HD2 LEU 29 1HD2 LEU 29 18.345 11.110 -4.188
217 2HD2 LEU 29 2HD2 LEU 29 18.468 10.617 -2.485
218 3HD2 LEU 29 3HD2 LEU 29 17.241 9.884 -3.540
219 H SER 30 H SER 30 12.927 10.959 -2.069
220 HA SER 30 HA SER 30 12.442 12.357 -4.563
221 1HB SER 30 1HB SER 30 10.948 10.498 -4.984
222 2HB SER 30 2HB SER 30 12.481 9.890 -4.323
223 HG SER 30 HG SER 30 11.334 9.959 -2.225
224 H GLY 31 H GLY 31 10.834 12.192 -1.380
225 1HA GLY 31 1HA GLY 31 9.029 13.435 -0.629
226 2HA GLY 31 2HA GLY 31 8.666 14.003 -2.261
227 H CYS 32 H CYS 32 9.286 10.564 -2.100
228 HA CYS 32 HA CYS 32 6.452 9.898 -2.367
229 1HB CYS 32 1HB CYS 32 8.843 8.070 -2.242
230 2HB CYS 32 2HB CYS 32 7.202 7.645 -2.697
231 H LYS 33 H LYS 33 5.816 7.820 -0.968
232 HA LYS 33 HA LYS 33 7.016 7.557 1.655
233 1HB LYS 33 1HB LYS 33 4.923 8.124 2.869
234 2HB LYS 33 2HB LYS 33 5.643 9.509 2.077
235 1HG LYS 33 1HG LYS 33 3.911 8.499 0.095
236 2HG LYS 33 2HG LYS 33 3.080 8.105 1.566
237 1HD LYS 33 1HD LYS 33 2.322 10.253 0.766
238 2HD LYS 33 2HD LYS 33 3.255 10.540 2.242
239 1HE LYS 33 1HE LYS 33 3.802 12.204 0.511
240 2HE LYS 33 2HE LYS 33 5.227 11.223 0.843
241 1HZ LYS 33 1HZ LYS 33 4.942 11.532 -1.456
242 2HZ LYS 33 2HZ LYS 33 4.687 9.936 -1.130
243 3HZ LYS 33 3HZ LYS 33 3.411 10.918 -1.430
244 H ILE 34 H ILE 34 5.620 5.895 2.905
245 HA ILE 34 HA ILE 34 4.506 3.835 1.047
246 HB ILE 34 HB ILE 34 6.529 3.676 3.302
247 1HG1 ILE 34 1HG1 ILE 34 7.112 4.225 0.770
248 2HG1 ILE 34 2HG1 ILE 34 8.097 3.153 1.735
249 1HG2 ILE 34 1HG2 ILE 34 5.021 1.384 1.989
250 2HG2 ILE 34 2HG2 ILE 34 6.532 1.196 2.913
251 3HG2 ILE 34 3HG2 ILE 34 5.080 1.813 3.706
252 1HD1 ILE 34 1HD1 ILE 34 5.848 2.118 -0.028
253 2HD1 ILE 34 2HD1 ILE 34 7.478 2.416 -0.651
254 3HD1 ILE 34 3HD1 ILE 34 7.223 1.211 0.624
255 H ILE 35 H ILE 35 2.542 3.099 1.652
256 HA ILE 35 HA ILE 35 1.652 3.468 4.483
257 HB ILE 35 HB ILE 35 -0.546 3.819 3.715
258 1HG1 ILE 35 1HG1 ILE 35 0.500 3.696 0.861
259 2HG1 ILE 35 2HG1 ILE 35 -0.453 2.442 1.644
260 1HG2 ILE 35 1HG2 ILE 35 -0.320 6.072 2.881
261 2HG2 ILE 35 2HG2 ILE 35 1.054 5.751 3.940
262 3HG2 ILE 35 3HG2 ILE 35 1.270 5.721 2.177
263 1HD1 ILE 35 1HD1 ILE 35 -2.282 4.084 2.043
264 2HD1 ILE 35 2HD1 ILE 35 -1.384 5.256 1.046
265 3HD1 ILE 35 3HD1 ILE 35 -1.942 3.725 0.335
266 H SER 36 H SER 36 -0.064 1.931 5.108
267 HA SER 36 HA SER 36 0.443 -0.809 4.347
268 1HB SER 36 1HB SER 36 -1.650 0.581 6.082
269 2HB SER 36 2HB SER 36 -1.446 -1.168 5.930
270 HG SER 36 HG SER 36 0.547 0.642 6.828
271 H GLY 37 H GLY 37 -1.863 1.729 3.604
272 1HA GLY 37 1HA GLY 37 -4.049 0.338 2.586
273 2HA GLY 37 2HA GLY 37 -3.554 1.951 2.073
274 H SER 38 H SER 38 -4.682 -0.466 0.639
275 HA SER 38 HA SER 38 -2.816 -1.569 -1.172
276 1HB SER 38 1HB SER 38 -4.919 -2.061 -2.446
277 2HB SER 38 2HB SER 38 -4.986 -2.558 -0.747
278 HG SER 38 HG SER 38 -6.873 -1.443 -1.395
279 H THR 39 H THR 39 -4.983 1.314 -1.355
280 HA THR 39 HA THR 39 -3.641 2.259 -3.824
281 HB THR 39 HB THR 39 -5.825 3.655 -3.746
282 HG1 THR 39 HG1 THR 39 -6.692 1.505 -2.142
283 1HG2 THR 39 1HG2 THR 39 -7.119 1.863 -4.875
284 2HG2 THR 39 2HG2 THR 39 -5.427 1.856 -5.408
285 3HG2 THR 39 3HG2 THR 39 -5.993 0.645 -4.236
286 H CYS 40 H CYS 40 -2.592 4.148 -3.770
287 HA CYS 40 HA CYS 40 -2.172 5.639 -1.311
288 1HB CYS 40 1HB CYS 40 -1.413 6.102 -4.223
289 2HB CYS 40 2HB CYS 40 -0.781 6.997 -2.846
290 HA PRO 41 HA PRO 41 -5.440 8.579 -2.122
291 1HB PRO 41 1HB PRO 41 -4.507 10.950 -1.151
292 2HB PRO 41 2HB PRO 41 -4.843 9.553 -0.089
293 1HG PRO 41 1HG PRO 41 -2.173 10.337 -1.296
294 2HG PRO 41 2HG PRO 41 -2.540 10.043 0.431
295 1HD PRO 41 1HD PRO 41 -1.489 8.102 -1.116
296 2HD PRO 41 2HD PRO 41 -2.774 7.695 0.052
297 H SER 42 H SER 42 -5.929 10.636 -3.257
298 HA SER 42 HA SER 42 -5.010 10.677 -5.919
299 1HB SER 42 1HB SER 42 -7.215 11.503 -5.095
300 2HB SER 42 2HB SER 42 -6.396 12.894 -4.351
301 HG SER 42 HG SER 42 -7.217 13.367 -6.430
302 H ASP 43 H ASP 43 -3.793 12.323 -3.050
303 HA ASP 43 HA ASP 43 -2.265 14.375 -4.227
304 1HB ASP 43 1HB ASP 43 -1.782 12.775 -1.682
305 2HB ASP 43 2HB ASP 43 -1.059 14.342 -2.082
306 H TYR 44 H TYR 44 -1.456 10.922 -3.539
307 HA TYR 44 HA TYR 44 1.114 11.242 -5.020
308 1HB TYR 44 1HB TYR 44 0.790 9.677 -2.460
309 2HB TYR 44 2HB TYR 44 2.267 10.106 -3.305
310 HD1 TYR 44 HD1 TYR 44 0.118 10.950 -0.607
311 HD2 TYR 44 HD2 TYR 44 2.717 12.722 -3.553
312 HE1 TYR 44 HE1 TYR 44 0.297 12.982 0.781
313 HE2 TYR 44 HE2 TYR 44 2.904 14.760 -2.157
314 HH TYR 44 HH TYR 44 1.164 15.116 0.954
315 HA PRO 45 HA PRO 45 -1.760 7.713 -6.065
316 1HB PRO 45 1HB PRO 45 -2.057 8.009 -8.761
317 2HB PRO 45 2HB PRO 45 -2.916 9.026 -7.569
318 1HG PRO 45 1HG PRO 45 -0.333 9.690 -9.018
319 2HG PRO 45 2HG PRO 45 -1.810 10.695 -8.899
320 1HD PRO 45 1HD PRO 45 0.283 11.064 -7.208
321 2HD PRO 45 2HD PRO 45 -1.398 11.173 -6.618
322 H LYS 46 H LYS 46 1.383 8.548 -7.545
323 HA LYS 46 HA LYS 46 1.463 6.217 -9.208
324 1HB LYS 46 1HB LYS 46 2.547 8.400 -9.734
325 2HB LYS 46 2HB LYS 46 3.656 8.159 -8.391
326 1HG LYS 46 1HG LYS 46 4.857 7.531 -10.310
327 2HG LYS 46 2HG LYS 46 4.408 5.996 -9.553
328 1HD LYS 46 1HD LYS 46 2.457 5.860 -11.191
329 2HD LYS 46 2HD LYS 46 3.013 7.385 -11.897
330 1HE LYS 46 1HE LYS 46 3.810 5.615 -13.295
331 2HE LYS 46 2HE LYS 46 5.214 6.265 -12.433
332 1HZ LYS 46 1HZ LYS 46 5.013 4.416 -10.903
333 2HZ LYS 46 2HZ LYS 46 3.711 3.836 -11.725
334 3HZ LYS 46 3HZ LYS 46 5.190 3.879 -12.452