Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635049 | 6ggz RC | 34268 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PCA 1 0.296 -11.234 0.778
2 HA PCA 1 HA PCA 1 1.078 -9.097 -0.731
3 HB2 PCA 1 HB2 PCA 1 -0.688 -8.686 -2.076
4 HB3 PCA 1 HB3 PCA 1 -1.818 -8.928 -0.737
5 HG2 PCA 1 HG2 PCA 1 -1.074 -10.797 -2.844
6 HG3 PCA 1 HG3 PCA 1 -2.326 -10.980 -1.584
7 HT2 PCA 1 HT2 PCA 1 1.420 -11.150 -0.342
8 H ILE 2 H ILE 2 1.118 -7.402 0.656
9 HA ILE 2 HA ILE 2 0.046 -7.923 3.333
10 HB ILE 2 HB ILE 2 1.947 -5.732 2.494
11 HG12 ILE 2 HG12 ILE 2 2.980 -7.901 2.068
12 HG13 ILE 2 HG13 ILE 2 3.722 -7.147 3.473
13 HG21 ILE 2 HG21 ILE 2 2.436 -5.565 4.879
14 HG22 ILE 2 HG22 ILE 2 1.266 -6.841 5.214
15 HG23 ILE 2 HG23 ILE 2 0.721 -5.296 4.564
16 HD11 ILE 2 HD11 ILE 2 3.388 -9.510 3.839
17 HD12 ILE 2 HD12 ILE 2 1.663 -9.336 3.517
18 HD13 ILE 2 HD13 ILE 2 2.377 -8.570 4.936
19 H GLU 3 H GLU 3 -2.081 -7.396 3.081
20 HA GLU 3 HA GLU 3 -2.907 -4.868 1.979
21 HB2 GLU 3 HB2 GLU 3 -4.507 -6.939 3.486
22 HB3 GLU 3 HB3 GLU 3 -5.159 -5.615 2.531
23 HG2 GLU 3 HG2 GLU 3 -4.409 -6.577 0.509
24 HG3 GLU 3 HG3 GLU 3 -3.416 -7.760 1.359
25 H THR 4 H THR 4 -2.022 -3.270 3.277
26 HA THR 4 HA THR 4 -2.529 -3.299 6.136
27 HB THR 4 HB THR 4 -1.299 -1.176 6.191
28 HG1 THR 4 HG1 THR 4 -1.400 -1.450 3.359
29 HG21 THR 4 HG21 THR 4 0.878 -1.994 5.428
30 HG22 THR 4 HG22 THR 4 0.078 -3.254 4.489
31 HG23 THR 4 HG23 THR 4 -0.024 -3.268 6.250
32 H ASN 5 H ASN 5 -3.863 -1.829 7.220
33 HA ASN 5 HA ASN 5 -6.120 -0.921 5.651
34 HB2 ASN 5 HB2 ASN 5 -6.402 -2.079 7.850
35 HB3 ASN 5 HB3 ASN 5 -5.672 -0.684 8.635
36 HD21 ASN 5 HD21 ASN 5 -7.490 -0.244 9.832
37 HD22 ASN 5 HD22 ASN 5 -8.935 0.403 9.138
38 H LYS 6 H LYS 6 -4.085 0.478 4.784
39 HA LYS 6 HA LYS 6 -4.218 3.110 6.091
40 HB2 LYS 6 HB2 LYS 6 -2.308 2.098 3.970
41 HB3 LYS 6 HB3 LYS 6 -2.256 3.684 4.722
42 HG2 LYS 6 HG2 LYS 6 -1.773 2.653 6.879
43 HG3 LYS 6 HG3 LYS 6 -1.833 1.057 6.127
44 HD2 LYS 6 HD2 LYS 6 0.019 1.717 4.638
45 HD3 LYS 6 HD3 LYS 6 0.099 3.276 5.459
46 HE2 LYS 6 HE2 LYS 6 0.531 0.585 6.745
47 HE3 LYS 6 HE3 LYS 6 1.802 1.712 6.277
48 HZ1 LYS 6 HZ1 LYS 6 -0.261 2.187 8.309
49 HZ2 LYS 6 HZ2 LYS 6 0.834 3.290 7.837
50 HZ3 LYS 6 HZ3 LYS 6 1.323 1.934 8.586
51 H LYS 7 H LYS 7 -4.529 4.979 4.686
52 HA LYS 7 HA LYS 7 -6.463 4.414 2.616
53 HB2 LYS 7 HB2 LYS 7 -6.610 6.929 2.456
54 HB3 LYS 7 HB3 LYS 7 -7.043 6.241 4.009
55 HG2 LYS 7 HG2 LYS 7 -5.803 8.143 4.523
56 HG3 LYS 7 HG3 LYS 7 -4.670 6.814 4.738
57 HD2 LYS 7 HD2 LYS 7 -3.630 7.282 2.627
58 HD3 LYS 7 HD3 LYS 7 -4.857 8.488 2.239
59 HE2 LYS 7 HE2 LYS 7 -2.922 8.665 4.546
60 HE3 LYS 7 HE3 LYS 7 -2.726 9.485 2.998
61 HZ1 LYS 7 HZ1 LYS 7 -4.828 10.609 3.459
62 HZ2 LYS 7 HZ2 LYS 7 -3.690 10.965 4.558
63 HZ3 LYS 7 HZ3 LYS 7 -4.881 9.929 4.937
64 H CYS 8 H CYS 8 -6.274 4.909 0.447
65 HA CYS 8 HA CYS 8 -3.714 4.444 -0.663
66 HB2 CYS 8 HB2 CYS 8 -6.095 5.506 -2.177
67 HB3 CYS 8 HB3 CYS 8 -4.784 4.496 -2.780
68 H GLN 9 H GLN 9 -2.456 5.792 -2.001
69 HA GLN 9 HA GLN 9 -2.600 8.596 -1.177
70 HB2 GLN 9 HB2 GLN 9 -0.509 7.181 -0.885
71 HB3 GLN 9 HB3 GLN 9 -0.357 7.200 -2.635
72 HG2 GLN 9 HG2 GLN 9 -0.144 9.610 -2.618
73 HG3 GLN 9 HG3 GLN 9 -0.372 9.634 -0.868
74 HE21 GLN 9 HE21 GLN 9 1.266 8.857 0.466
75 HE22 GLN 9 HE22 GLN 9 2.887 8.650 -0.102
76 H GLY 10 H GLY 10 -4.465 8.801 -2.645
77 HA2 GLY 10 HA2 GLY 10 -5.077 10.043 -4.559
78 HA3 GLY 10 HA3 GLY 10 -3.567 9.563 -5.325
79 H GLY 11 H GLY 11 -3.365 7.319 -5.998
80 HA2 GLY 11 HA2 GLY 11 -5.950 5.976 -6.436
81 HA3 GLY 11 HA3 GLY 11 -4.865 6.262 -7.788
82 H SER 12 H SER 12 -2.634 5.732 -5.656
83 HA SER 12 HA SER 12 -2.901 2.841 -5.410
84 HB2 SER 12 HB2 SER 12 -0.513 4.138 -6.729
85 HB3 SER 12 HB3 SER 12 -0.787 2.408 -6.493
86 HG SER 12 HG SER 12 -2.862 3.026 -7.763
87 H CYS 13 H CYS 13 -0.584 2.107 -4.436
88 HA CYS 13 HA CYS 13 0.076 3.982 -2.279
89 HB2 CYS 13 HB2 CYS 13 -0.701 1.079 -1.959
90 HB3 CYS 13 HB3 CYS 13 -0.023 2.071 -0.674
91 H ALA 14 H ALA 14 1.427 3.118 -4.738
92 HA ALA 14 HA ALA 14 3.445 1.228 -4.197
93 HB1 ALA 14 HB1 ALA 14 4.544 2.078 -6.178
94 HB2 ALA 14 HB2 ALA 14 3.536 3.524 -6.146
95 HB3 ALA 14 HB3 ALA 14 2.807 1.949 -6.458
96 H SER 15 H SER 15 3.470 4.780 -3.994
97 HA SER 15 HA SER 15 6.172 4.930 -3.107
98 HB2 SER 15 HB2 SER 15 4.930 6.806 -4.224
99 HB3 SER 15 HB3 SER 15 3.993 7.002 -2.744
100 HG SER 15 HG SER 15 5.585 8.101 -1.959
101 H VAL 16 H VAL 16 3.064 4.622 -1.537
102 HA VAL 16 HA VAL 16 3.846 5.138 1.117
103 HB VAL 16 HB VAL 16 1.701 3.266 0.085
104 HG11 VAL 16 HG11 VAL 16 2.359 2.735 2.398
105 HG12 VAL 16 HG12 VAL 16 0.719 3.375 2.301
106 HG13 VAL 16 HG13 VAL 16 2.037 4.407 2.860
107 HG21 VAL 16 HG21 VAL 16 0.169 5.108 0.579
108 HG22 VAL 16 HG22 VAL 16 1.386 5.586 -0.604
109 HG23 VAL 16 HG23 VAL 16 1.533 6.113 1.071
110 H CYS 17 H CYS 17 3.542 2.052 -0.625
111 HA CYS 17 HA CYS 17 4.629 0.462 1.435
112 HB2 CYS 17 HB2 CYS 17 4.424 -0.051 -1.537
113 HB3 CYS 17 HB3 CYS 17 4.801 -1.271 -0.323
114 H ARG 18 H ARG 18 6.068 2.297 -1.145
115 HA ARG 18 HA ARG 18 8.646 1.169 -1.084
116 HB2 ARG 18 HB2 ARG 18 7.843 2.644 -2.885
117 HB3 ARG 18 HB3 ARG 18 7.801 3.995 -1.763
118 HG2 ARG 18 HG2 ARG 18 10.176 3.989 -1.555
119 HG3 ARG 18 HG3 ARG 18 10.302 2.480 -2.458
120 HD2 ARG 18 HD2 ARG 18 10.884 4.442 -3.823
121 HD3 ARG 18 HD3 ARG 18 9.497 3.564 -4.460
122 HE ARG 18 HE ARG 18 8.741 5.726 -2.741
123 HH11 ARG 18 HH11 ARG 18 9.747 4.920 -5.997
124 HH12 ARG 18 HH12 ARG 18 8.951 6.282 -6.721
125 HH21 ARG 18 HH21 ARG 18 7.671 7.518 -3.693
126 HH22 ARG 18 HH22 ARG 18 7.774 7.760 -5.410
127 H LYS 19 H LYS 19 6.995 3.413 0.970
128 HA LYS 19 HA LYS 19 9.396 4.122 2.437
129 HB2 LYS 19 HB2 LYS 19 7.510 5.734 2.013
130 HB3 LYS 19 HB3 LYS 19 6.506 4.759 3.071
131 HG2 LYS 19 HG2 LYS 19 9.084 5.954 4.025
132 HG3 LYS 19 HG3 LYS 19 7.582 6.873 4.024
133 HD2 LYS 19 HD2 LYS 19 6.554 5.106 5.419
134 HD3 LYS 19 HD3 LYS 19 8.114 4.282 5.470
135 HE2 LYS 19 HE2 LYS 19 7.820 5.570 7.486
136 HE3 LYS 19 HE3 LYS 19 9.101 6.289 6.513
137 HZ1 LYS 19 HZ1 LYS 19 7.590 7.933 7.398
138 HZ2 LYS 19 HZ2 LYS 19 6.334 7.256 6.624
139 HZ3 LYS 19 HZ3 LYS 19 7.539 7.934 5.772
140 H VAL 20 H VAL 20 6.416 2.258 2.926
141 HA VAL 20 HA VAL 20 6.856 1.560 5.607
142 HB VAL 20 HB VAL 20 5.290 0.018 3.531
143 HG11 VAL 20 HG11 VAL 20 4.072 -0.922 5.428
144 HG12 VAL 20 HG12 VAL 20 5.124 -0.051 6.544
145 HG13 VAL 20 HG13 VAL 20 5.789 -1.321 5.517
146 HG21 VAL 20 HG21 VAL 20 3.339 1.210 4.444
147 HG22 VAL 20 HG22 VAL 20 4.508 2.309 3.710
148 HG23 VAL 20 HG23 VAL 20 4.417 2.162 5.465
149 H ILE 21 H ILE 21 7.323 -0.499 2.717
150 HA ILE 21 HA ILE 21 9.091 -2.167 4.372
151 HB ILE 21 HB ILE 21 8.673 -3.963 2.662
152 HG12 ILE 21 HG12 ILE 21 6.443 -2.100 1.817
153 HG13 ILE 21 HG13 ILE 21 7.852 -2.515 0.846
154 HG21 ILE 21 HG21 ILE 21 6.305 -2.946 4.224
155 HG22 ILE 21 HG22 ILE 21 7.600 -3.972 4.841
156 HG23 ILE 21 HG23 ILE 21 6.500 -4.586 3.606
157 HD11 ILE 21 HD11 ILE 21 5.696 -4.406 1.754
158 HD12 ILE 21 HD12 ILE 21 7.122 -4.851 0.818
159 HD13 ILE 21 HD13 ILE 21 5.919 -3.765 0.126
160 H GLY 22 H GLY 22 8.824 -0.519 1.255
161 HA2 GLY 22 HA2 GLY 22 11.149 0.470 0.789
162 HA3 GLY 22 HA3 GLY 22 11.647 -1.213 0.758
163 H VAL 23 H VAL 23 9.355 -2.241 -0.612
164 HA VAL 23 HA VAL 23 10.225 -1.600 -3.280
165 HB VAL 23 HB VAL 23 8.724 -3.351 -4.052
166 HG11 VAL 23 HG11 VAL 23 10.268 -4.164 -1.590
167 HG12 VAL 23 HG12 VAL 23 10.906 -4.025 -3.228
168 HG13 VAL 23 HG13 VAL 23 9.703 -5.258 -2.852
169 HG21 VAL 23 HG21 VAL 23 7.358 -4.644 -2.489
170 HG22 VAL 23 HG22 VAL 23 6.853 -2.955 -2.564
171 HG23 VAL 23 HG23 VAL 23 7.797 -3.534 -1.191
172 H ALA 24 H ALA 24 8.962 -0.794 -4.952
173 HA ALA 24 HA ALA 24 6.874 1.025 -4.042
174 HB1 ALA 24 HB1 ALA 24 8.711 1.934 -5.404
175 HB2 ALA 24 HB2 ALA 24 7.146 2.135 -6.191
176 HB3 ALA 24 HB3 ALA 24 8.246 0.866 -6.726
177 H ALA 25 H ALA 25 6.163 -1.613 -4.000
178 HA ALA 25 HA ALA 25 4.266 -1.802 -6.237
179 HB1 ALA 25 HB1 ALA 25 4.245 -4.188 -5.952
180 HB2 ALA 25 HB2 ALA 25 5.306 -4.070 -4.548
181 HB3 ALA 25 HB3 ALA 25 5.912 -3.648 -6.150
182 H GLY 26 H GLY 26 2.398 -1.065 -5.576
183 HA2 GLY 26 HA2 GLY 26 0.976 -2.218 -3.407
184 HA3 GLY 26 HA3 GLY 26 1.581 -0.629 -2.968
185 H LYS 27 H LYS 27 -1.143 -1.929 -3.691
186 HA LYS 27 HA LYS 27 -1.976 0.133 -5.617
187 HB2 LYS 27 HB2 LYS 27 -2.680 -2.796 -5.572
188 HB3 LYS 27 HB3 LYS 27 -3.640 -1.611 -6.449
189 HG2 LYS 27 HG2 LYS 27 -1.794 -1.066 -7.869
190 HG3 LYS 27 HG3 LYS 27 -0.697 -2.052 -6.903
191 HD2 LYS 27 HD2 LYS 27 -1.324 -3.216 -8.945
192 HD3 LYS 27 HD3 LYS 27 -1.964 -4.059 -7.534
193 HE2 LYS 27 HE2 LYS 27 -4.145 -3.006 -7.911
194 HE3 LYS 27 HE3 LYS 27 -3.499 -2.187 -9.331
195 HZ1 LYS 27 HZ1 LYS 27 -3.732 -5.093 -8.999
196 HZ2 LYS 27 HZ2 LYS 27 -3.116 -4.349 -10.304
197 HZ3 LYS 27 HZ3 LYS 27 -4.688 -4.165 -9.936
198 H CYS 28 H CYS 28 -4.394 0.407 -5.633
199 HA CYS 28 HA CYS 28 -5.211 0.764 -2.849
200 HB2 CYS 28 HB2 CYS 28 -5.136 2.738 -4.341
201 HB3 CYS 28 HB3 CYS 28 -6.333 1.980 -5.383
202 H ILE 29 H ILE 29 -6.017 -1.260 -2.350
203 HA ILE 29 HA ILE 29 -8.357 -2.147 -3.886
204 HB ILE 29 HB ILE 29 -6.432 -3.607 -2.107
205 HG12 ILE 29 HG12 ILE 29 -6.470 -5.234 -3.961
206 HG13 ILE 29 HG13 ILE 29 -7.648 -4.243 -4.806
207 HG21 ILE 29 HG21 ILE 29 -9.216 -4.548 -2.780
208 HG22 ILE 29 HG22 ILE 29 -8.581 -4.190 -1.173
209 HG23 ILE 29 HG23 ILE 29 -7.945 -5.556 -2.089
210 HD11 ILE 29 HD11 ILE 29 -4.821 -3.463 -4.138
211 HD12 ILE 29 HD12 ILE 29 -5.995 -2.456 -4.985
212 HD13 ILE 29 HD13 ILE 29 -5.426 -3.955 -5.721
213 H ASN 30 H ASN 30 -10.270 -1.642 -3.096
214 HA ASN 30 HA ASN 30 -11.948 -1.003 -1.739
215 HB2 ASN 30 HB2 ASN 30 -10.401 -2.789 0.128
216 HB3 ASN 30 HB3 ASN 30 -11.937 -2.060 0.560
217 HD21 ASN 30 HD21 ASN 30 -11.152 -4.875 0.194
218 HD22 ASN 30 HD22 ASN 30 -12.263 -5.510 -0.959
219 H GLY 31 H GLY 31 -9.541 0.686 -1.876
220 HA2 GLY 31 HA2 GLY 31 -9.104 2.794 -1.011
221 HA3 GLY 31 HA3 GLY 31 -10.273 2.476 0.262
222 H ARG 32 H ARG 32 -8.038 -0.025 -0.054
223 HA ARG 32 HA ARG 32 -6.411 1.078 2.136
224 HB2 ARG 32 HB2 ARG 32 -7.479 -1.681 1.659
225 HB3 ARG 32 HB3 ARG 32 -5.979 -1.479 2.551
226 HG2 ARG 32 HG2 ARG 32 -7.741 -1.648 4.128
227 HG3 ARG 32 HG3 ARG 32 -7.199 0.028 4.117
228 HD2 ARG 32 HD2 ARG 32 -9.084 0.619 2.669
229 HD3 ARG 32 HD3 ARG 32 -9.629 -1.057 2.700
230 HE ARG 32 HE ARG 32 -9.389 -0.139 5.341
231 HH11 ARG 32 HH11 ARG 32 -11.356 0.394 2.492
232 HH12 ARG 32 HH12 ARG 32 -12.776 0.823 3.395
233 HH21 ARG 32 HH21 ARG 32 -11.265 0.423 6.533
234 HH22 ARG 32 HH22 ARG 32 -12.719 0.855 5.691
235 H CYS 33 H CYS 33 -4.230 0.022 2.278
236 HA CYS 33 HA CYS 33 -3.061 0.054 -0.410
237 HB2 CYS 33 HB2 CYS 33 -1.866 0.700 2.291
238 HB3 CYS 33 HB3 CYS 33 -0.935 0.625 0.799
239 H VAL 34 H VAL 34 -2.867 -1.988 -1.118
240 HA VAL 34 HA VAL 34 -1.740 -3.972 0.708
241 HB VAL 34 HB VAL 34 -3.611 -4.851 -0.478
242 HG11 VAL 34 HG11 VAL 34 -2.273 -3.981 -3.020
243 HG12 VAL 34 HG12 VAL 34 -3.713 -3.263 -2.297
244 HG13 VAL 34 HG13 VAL 34 -3.763 -4.918 -2.904
245 HG21 VAL 34 HG21 VAL 34 -1.084 -5.884 -1.728
246 HG22 VAL 34 HG22 VAL 34 -2.633 -6.727 -1.696
247 HG23 VAL 34 HG23 VAL 34 -1.775 -6.399 -0.190
248 H CYS 35 H CYS 35 0.341 -4.061 0.827
249 HA CYS 35 HA CYS 35 2.033 -3.120 -1.327
250 HB2 CYS 35 HB2 CYS 35 2.724 -4.251 1.394
251 HB3 CYS 35 HB3 CYS 35 3.858 -3.494 0.281
252 H TYR 36 H TYR 36 3.531 -4.378 -2.442
253 HA TYR 36 HA TYR 36 2.998 -7.278 -2.284
254 HB2 TYR 36 HB2 TYR 36 3.712 -5.721 -4.771
255 HB3 TYR 36 HB3 TYR 36 3.275 -7.421 -4.679
256 HD1 TYR 36 HD1 TYR 36 0.859 -7.631 -3.247
257 HD2 TYR 36 HD2 TYR 36 2.101 -4.440 -5.775
258 HE1 TYR 36 HE1 TYR 36 -1.494 -7.056 -3.678
259 HE2 TYR 36 HE2 TYR 36 -0.238 -3.874 -6.218
260 HH TYR 36 HH TYR 36 -2.837 -5.228 -4.437
261 HA PRO 37 HA PRO 37 7.527 -6.708 -1.562
262 HB2 PRO 37 HB2 PRO 37 7.695 -8.561 0.411
263 HB3 PRO 37 HB3 PRO 37 7.299 -6.866 0.703
264 HG2 PRO 37 HG2 PRO 37 5.499 -9.235 0.565
265 HG3 PRO 37 HG3 PRO 37 5.431 -7.826 1.636
266 HD2 PRO 37 HD2 PRO 37 3.843 -8.147 -0.563
267 HD3 PRO 37 HD3 PRO 37 4.292 -6.569 0.109
Start of MODEL 2
1 H PCA 1 H PCA 1 0.316 -11.109 0.537
2 HA PCA 1 HA PCA 1 1.244 -8.983 -0.791
3 HB2 PCA 1 HB2 PCA 1 -0.297 -8.476 -2.358
4 HB3 PCA 1 HB3 PCA 1 -1.554 -8.471 -1.115
5 HG2 PCA 1 HG2 PCA 1 -0.994 -10.515 -3.098
6 HG3 PCA 1 HG3 PCA 1 -2.313 -10.471 -1.895
7 HT2 PCA 1 HT2 PCA 1 1.362 -11.081 -0.660
8 H ILE 2 H ILE 2 0.961 -7.172 0.527
9 HA ILE 2 HA ILE 2 -0.286 -7.821 3.114
10 HB ILE 2 HB ILE 2 1.859 -5.763 2.566
11 HG12 ILE 2 HG12 ILE 2 2.122 -8.526 3.779
12 HG13 ILE 2 HG13 ILE 2 2.641 -8.083 2.156
13 HG21 ILE 2 HG21 ILE 2 0.482 -5.282 4.525
14 HG22 ILE 2 HG22 ILE 2 2.117 -5.740 4.999
15 HG23 ILE 2 HG23 ILE 2 0.797 -6.899 5.151
16 HD11 ILE 2 HD11 ILE 2 4.519 -8.155 3.684
17 HD12 ILE 2 HD12 ILE 2 3.737 -6.970 4.728
18 HD13 ILE 2 HD13 ILE 2 4.252 -6.512 3.105
19 H GLU 3 H GLU 3 -2.362 -7.077 2.735
20 HA GLU 3 HA GLU 3 -2.881 -4.371 1.933
21 HB2 GLU 3 HB2 GLU 3 -4.615 -6.520 3.148
22 HB3 GLU 3 HB3 GLU 3 -5.217 -4.914 2.757
23 HG2 GLU 3 HG2 GLU 3 -4.796 -5.248 0.434
24 HG3 GLU 3 HG3 GLU 3 -3.952 -6.763 0.752
25 H THR 4 H THR 4 -2.472 -2.700 3.183
26 HA THR 4 HA THR 4 -2.392 -3.063 6.089
27 HB THR 4 HB THR 4 -1.184 -0.886 6.105
28 HG1 THR 4 HG1 THR 4 -1.193 -1.180 3.263
29 HG21 THR 4 HG21 THR 4 -0.000 -2.968 4.263
30 HG22 THR 4 HG22 THR 4 0.061 -3.000 6.025
31 HG23 THR 4 HG23 THR 4 0.901 -1.728 5.138
32 H ASN 5 H ASN 5 -3.361 -1.481 7.473
33 HA ASN 5 HA ASN 5 -5.937 -0.621 6.505
34 HB2 ASN 5 HB2 ASN 5 -4.640 -0.456 9.232
35 HB3 ASN 5 HB3 ASN 5 -6.270 0.110 8.892
36 HD21 ASN 5 HD21 ASN 5 -7.213 -1.329 10.299
37 HD22 ASN 5 HD22 ASN 5 -7.308 -3.027 9.978
38 H LYS 6 H LYS 6 -4.136 0.763 5.106
39 HA LYS 6 HA LYS 6 -4.216 3.468 6.268
40 HB2 LYS 6 HB2 LYS 6 -2.199 2.346 4.308
41 HB3 LYS 6 HB3 LYS 6 -2.231 3.997 4.912
42 HG2 LYS 6 HG2 LYS 6 -1.911 3.095 7.209
43 HG3 LYS 6 HG3 LYS 6 -1.703 1.495 6.495
44 HD2 LYS 6 HD2 LYS 6 0.210 2.314 5.212
45 HD3 LYS 6 HD3 LYS 6 -0.006 3.920 5.910
46 HE2 LYS 6 HE2 LYS 6 0.334 2.926 8.160
47 HE3 LYS 6 HE3 LYS 6 0.691 1.385 7.384
48 HZ1 LYS 6 HZ1 LYS 6 2.543 2.452 6.293
49 HZ2 LYS 6 HZ2 LYS 6 2.687 2.585 7.902
50 HZ3 LYS 6 HZ3 LYS 6 2.213 3.868 7.024
51 H LYS 7 H LYS 7 -4.267 5.188 4.559
52 HA LYS 7 HA LYS 7 -6.223 4.418 2.536
53 HB2 LYS 7 HB2 LYS 7 -6.490 6.923 2.253
54 HB3 LYS 7 HB3 LYS 7 -6.987 6.260 3.792
55 HG2 LYS 7 HG2 LYS 7 -5.889 8.205 4.373
56 HG3 LYS 7 HG3 LYS 7 -4.673 6.959 4.631
57 HD2 LYS 7 HD2 LYS 7 -3.496 8.617 3.521
58 HD3 LYS 7 HD3 LYS 7 -3.931 7.500 2.230
59 HE2 LYS 7 HE2 LYS 7 -5.549 9.943 2.903
60 HE3 LYS 7 HE3 LYS 7 -4.235 9.960 1.732
61 HZ1 LYS 7 HZ1 LYS 7 -5.459 8.241 0.515
62 HZ2 LYS 7 HZ2 LYS 7 -6.278 9.642 0.615
63 HZ3 LYS 7 HZ3 LYS 7 -6.708 8.393 1.556
64 H CYS 8 H CYS 8 -6.003 4.868 0.371
65 HA CYS 8 HA CYS 8 -3.384 4.467 -0.645
66 HB2 CYS 8 HB2 CYS 8 -5.903 5.170 -2.156
67 HB3 CYS 8 HB3 CYS 8 -4.456 4.422 -2.822
68 H GLN 9 H GLN 9 -2.483 5.792 -2.456
69 HA GLN 9 HA GLN 9 -2.553 8.617 -1.646
70 HB2 GLN 9 HB2 GLN 9 -0.433 7.204 -1.393
71 HB3 GLN 9 HB3 GLN 9 -0.338 7.225 -3.149
72 HG2 GLN 9 HG2 GLN 9 1.097 8.920 -2.187
73 HG3 GLN 9 HG3 GLN 9 -0.207 9.661 -3.114
74 HE21 GLN 9 HE21 GLN 9 1.089 9.086 0.056
75 HE22 GLN 9 HE22 GLN 9 0.110 10.245 0.886
76 H GLY 10 H GLY 10 -4.465 7.546 -3.478
77 HA2 GLY 10 HA2 GLY 10 -5.440 8.631 -5.332
78 HA3 GLY 10 HA3 GLY 10 -3.857 9.252 -5.773
79 H GLY 11 H GLY 11 -5.875 6.362 -5.738
80 HA2 GLY 11 HA2 GLY 11 -6.153 4.914 -7.564
81 HA3 GLY 11 HA3 GLY 11 -4.704 5.586 -8.293
82 H SER 12 H SER 12 -2.952 5.256 -6.130
83 HA SER 12 HA SER 12 -2.947 2.396 -5.556
84 HB2 SER 12 HB2 SER 12 -1.690 2.564 -7.635
85 HB3 SER 12 HB3 SER 12 -0.695 3.857 -6.968
86 HG SER 12 HG SER 12 -0.095 1.378 -6.944
87 H CYS 13 H CYS 13 -0.653 2.077 -4.298
88 HA CYS 13 HA CYS 13 -0.248 4.305 -2.459
89 HB2 CYS 13 HB2 CYS 13 -2.006 2.390 -1.734
90 HB3 CYS 13 HB3 CYS 13 -0.511 1.638 -1.187
91 H ALA 14 H ALA 14 1.226 3.034 -4.610
92 HA ALA 14 HA ALA 14 3.232 1.284 -3.710
93 HB1 ALA 14 HB1 ALA 14 3.382 3.302 -5.945
94 HB2 ALA 14 HB2 ALA 14 2.718 1.673 -6.077
95 HB3 ALA 14 HB3 ALA 14 4.431 1.901 -5.729
96 H SER 15 H SER 15 3.003 4.794 -3.697
97 HA SER 15 HA SER 15 5.669 5.356 -2.982
98 HB2 SER 15 HB2 SER 15 4.597 7.511 -2.072
99 HB3 SER 15 HB3 SER 15 4.379 7.163 -3.787
100 HG SER 15 HG SER 15 2.332 7.322 -3.371
101 H VAL 16 H VAL 16 2.775 4.748 -1.072
102 HA VAL 16 HA VAL 16 3.939 5.142 1.474
103 HB VAL 16 HB VAL 16 1.504 3.592 0.590
104 HG11 VAL 16 HG11 VAL 16 2.389 2.652 2.699
105 HG12 VAL 16 HG12 VAL 16 0.822 3.435 2.902
106 HG13 VAL 16 HG13 VAL 16 2.295 4.257 3.424
107 HG21 VAL 16 HG21 VAL 16 1.835 6.258 1.962
108 HG22 VAL 16 HG22 VAL 16 0.297 5.493 1.560
109 HG23 VAL 16 HG23 VAL 16 1.392 6.003 0.274
110 H CYS 17 H CYS 17 3.344 2.215 -0.459
111 HA CYS 17 HA CYS 17 4.410 0.364 1.346
112 HB2 CYS 17 HB2 CYS 17 4.222 0.306 -1.666
113 HB3 CYS 17 HB3 CYS 17 4.724 -1.073 -0.695
114 H ARG 18 H ARG 18 5.990 2.485 -0.951
115 HA ARG 18 HA ARG 18 8.528 1.233 -0.888
116 HB2 ARG 18 HB2 ARG 18 7.818 2.870 -2.617
117 HB3 ARG 18 HB3 ARG 18 7.893 4.145 -1.409
118 HG2 ARG 18 HG2 ARG 18 10.288 3.731 -1.125
119 HG3 ARG 18 HG3 ARG 18 10.206 2.465 -2.352
120 HD2 ARG 18 HD2 ARG 18 9.481 4.121 -4.004
121 HD3 ARG 18 HD3 ARG 18 9.571 5.383 -2.776
122 HE ARG 18 HE ARG 18 12.051 4.066 -2.929
123 HH11 ARG 18 HH11 ARG 18 10.049 6.247 -4.788
124 HH12 ARG 18 HH12 ARG 18 11.385 6.986 -5.605
125 HH21 ARG 18 HH21 ARG 18 13.819 5.028 -4.001
126 HH22 ARG 18 HH22 ARG 18 13.538 6.292 -5.156
127 H LYS 19 H LYS 19 6.854 3.240 1.340
128 HA LYS 19 HA LYS 19 9.282 3.804 2.864
129 HB2 LYS 19 HB2 LYS 19 7.615 5.600 2.565
130 HB3 LYS 19 HB3 LYS 19 6.411 4.609 3.375
131 HG2 LYS 19 HG2 LYS 19 7.698 4.691 5.434
132 HG3 LYS 19 HG3 LYS 19 8.950 5.635 4.625
133 HD2 LYS 19 HD2 LYS 19 7.358 7.430 4.222
134 HD3 LYS 19 HD3 LYS 19 6.081 6.485 4.987
135 HE2 LYS 19 HE2 LYS 19 8.607 7.394 6.358
136 HE3 LYS 19 HE3 LYS 19 7.052 8.217 6.471
137 HZ1 LYS 19 HZ1 LYS 19 7.431 6.753 8.328
138 HZ2 LYS 19 HZ2 LYS 19 7.575 5.467 7.348
139 HZ3 LYS 19 HZ3 LYS 19 6.151 6.237 7.467
140 H VAL 20 H VAL 20 6.366 1.873 2.947
141 HA VAL 20 HA VAL 20 6.678 0.941 5.622
142 HB VAL 20 HB VAL 20 5.095 -0.282 3.353
143 HG11 VAL 20 HG11 VAL 20 4.890 -0.747 6.327
144 HG12 VAL 20 HG12 VAL 20 5.543 -1.882 5.148
145 HG13 VAL 20 HG13 VAL 20 3.837 -1.440 5.093
146 HG21 VAL 20 HG21 VAL 20 3.166 0.830 4.377
147 HG22 VAL 20 HG22 VAL 20 4.381 1.994 3.848
148 HG23 VAL 20 HG23 VAL 20 4.233 1.588 5.558
149 H ILE 21 H ILE 21 6.944 -0.917 2.565
150 HA ILE 21 HA ILE 21 8.658 -2.812 4.000
151 HB ILE 21 HB ILE 21 8.290 -4.331 2.083
152 HG12 ILE 21 HG12 ILE 21 6.313 -2.251 1.132
153 HG13 ILE 21 HG13 ILE 21 7.879 -2.549 0.388
154 HG21 ILE 21 HG21 ILE 21 6.872 -4.471 4.048
155 HG22 ILE 21 HG22 ILE 21 5.950 -4.841 2.591
156 HG23 ILE 21 HG23 ILE 21 5.779 -3.265 3.363
157 HD11 ILE 21 HD11 ILE 21 6.046 -3.620 -0.825
158 HD12 ILE 21 HD12 ILE 21 5.658 -4.565 0.613
159 HD13 ILE 21 HD13 ILE 21 7.204 -4.794 -0.203
160 H GLY 22 H GLY 22 8.893 -0.271 1.781
161 HA2 GLY 22 HA2 GLY 22 10.968 0.650 1.143
162 HA3 GLY 22 HA3 GLY 22 11.721 -0.913 1.405
163 H VAL 23 H VAL 23 8.923 -1.362 -0.322
164 HA VAL 23 HA VAL 23 10.352 -1.156 -2.892
165 HB VAL 23 HB VAL 23 8.163 -3.150 -2.497
166 HG11 VAL 23 HG11 VAL 23 9.373 -4.345 -4.262
167 HG12 VAL 23 HG12 VAL 23 10.583 -3.061 -4.278
168 HG13 VAL 23 HG13 VAL 23 8.918 -2.710 -4.743
169 HG21 VAL 23 HG21 VAL 23 9.716 -3.620 -0.672
170 HG22 VAL 23 HG22 VAL 23 11.058 -3.659 -1.818
171 HG23 VAL 23 HG23 VAL 23 9.789 -4.882 -1.903
172 H ALA 24 H ALA 24 9.081 -0.548 -4.683
173 HA ALA 24 HA ALA 24 6.787 1.076 -3.853
174 HB1 ALA 24 HB1 ALA 24 8.642 2.243 -4.962
175 HB2 ALA 24 HB2 ALA 24 7.134 2.362 -5.873
176 HB3 ALA 24 HB3 ALA 24 8.396 1.246 -6.396
177 H ALA 25 H ALA 25 6.415 -1.691 -4.140
178 HA ALA 25 HA ALA 25 4.691 -1.803 -6.520
179 HB1 ALA 25 HB1 ALA 25 6.373 -3.583 -6.429
180 HB2 ALA 25 HB2 ALA 25 4.739 -4.230 -6.289
181 HB3 ALA 25 HB3 ALA 25 5.756 -4.084 -4.857
182 H GLY 26 H GLY 26 2.649 -1.346 -6.075
183 HA2 GLY 26 HA2 GLY 26 1.238 -2.626 -3.951
184 HA3 GLY 26 HA3 GLY 26 1.571 -0.941 -3.577
185 H LYS 27 H LYS 27 -0.993 -1.922 -3.790
186 HA LYS 27 HA LYS 27 -1.985 -0.319 -6.032
187 HB2 LYS 27 HB2 LYS 27 -2.902 -3.131 -5.399
188 HB3 LYS 27 HB3 LYS 27 -3.761 -2.033 -6.468
189 HG2 LYS 27 HG2 LYS 27 -1.722 -1.949 -7.900
190 HG3 LYS 27 HG3 LYS 27 -1.020 -3.201 -6.876
191 HD2 LYS 27 HD2 LYS 27 -3.586 -3.445 -8.447
192 HD3 LYS 27 HD3 LYS 27 -2.032 -4.138 -8.909
193 HE2 LYS 27 HE2 LYS 27 -2.042 -5.495 -6.863
194 HE3 LYS 27 HE3 LYS 27 -3.607 -4.811 -6.424
195 HZ1 LYS 27 HZ1 LYS 27 -3.831 -6.948 -7.483
196 HZ2 LYS 27 HZ2 LYS 27 -3.082 -6.413 -8.825
197 HZ3 LYS 27 HZ3 LYS 27 -4.522 -5.794 -8.401
198 H CYS 28 H CYS 28 -4.470 -0.123 -5.762
199 HA CYS 28 HA CYS 28 -4.993 0.411 -2.918
200 HB2 CYS 28 HB2 CYS 28 -5.098 2.321 -4.581
201 HB3 CYS 28 HB3 CYS 28 -6.502 1.528 -5.288
202 H ILE 29 H ILE 29 -6.119 -1.137 -1.965
203 HA ILE 29 HA ILE 29 -8.258 -2.466 -3.500
204 HB ILE 29 HB ILE 29 -6.465 -3.609 -1.361
205 HG12 ILE 29 HG12 ILE 29 -6.993 -4.416 -4.229
206 HG13 ILE 29 HG13 ILE 29 -5.540 -3.626 -3.628
207 HG21 ILE 29 HG21 ILE 29 -8.737 -4.324 -0.911
208 HG22 ILE 29 HG22 ILE 29 -7.780 -5.671 -1.531
209 HG23 ILE 29 HG23 ILE 29 -8.926 -4.843 -2.587
210 HD11 ILE 29 HD11 ILE 29 -5.167 -5.995 -3.964
211 HD12 ILE 29 HD12 ILE 29 -6.502 -6.376 -2.875
212 HD13 ILE 29 HD13 ILE 29 -5.054 -5.585 -2.251
213 H ASN 30 H ASN 30 -10.168 -1.752 -2.849
214 HA ASN 30 HA ASN 30 -11.905 -1.065 -1.588
215 HB2 ASN 30 HB2 ASN 30 -10.486 -2.633 0.573
216 HB3 ASN 30 HB3 ASN 30 -12.140 -2.051 0.655
217 HD21 ASN 30 HD21 ASN 30 -11.120 -4.777 0.772
218 HD22 ASN 30 HD22 ASN 30 -11.893 -5.627 -0.512
219 H GLY 31 H GLY 31 -9.553 0.634 -1.760
220 HA2 GLY 31 HA2 GLY 31 -9.117 2.773 -0.966
221 HA3 GLY 31 HA3 GLY 31 -10.226 2.474 0.364
222 H ARG 32 H ARG 32 -8.040 -0.045 0.063
223 HA ARG 32 HA ARG 32 -6.337 1.112 2.166
224 HB2 ARG 32 HB2 ARG 32 -7.121 -1.770 1.707
225 HB3 ARG 32 HB3 ARG 32 -5.975 -1.227 2.926
226 HG2 ARG 32 HG2 ARG 32 -8.902 -0.527 2.787
227 HG3 ARG 32 HG3 ARG 32 -8.135 -1.633 3.929
228 HD2 ARG 32 HD2 ARG 32 -6.824 0.205 4.847
229 HD3 ARG 32 HD3 ARG 32 -7.541 1.313 3.680
230 HE ARG 32 HE ARG 32 -9.433 -0.059 5.379
231 HH11 ARG 32 HH11 ARG 32 -7.423 2.770 4.949
232 HH12 ARG 32 HH12 ARG 32 -8.370 3.765 6.006
233 HH21 ARG 32 HH21 ARG 32 -10.686 1.241 6.770
234 HH22 ARG 32 HH22 ARG 32 -10.236 2.895 7.042
235 H CYS 33 H CYS 33 -4.157 0.124 2.280
236 HA CYS 33 HA CYS 33 -3.037 0.230 -0.418
237 HB2 CYS 33 HB2 CYS 33 -1.681 0.632 2.261
238 HB3 CYS 33 HB3 CYS 33 -0.943 0.869 0.682
239 H VAL 34 H VAL 34 -2.713 -1.721 -1.270
240 HA VAL 34 HA VAL 34 -1.723 -3.863 0.459
241 HB VAL 34 HB VAL 34 -3.588 -4.480 -0.981
242 HG11 VAL 34 HG11 VAL 34 -3.307 -2.920 -2.785
243 HG12 VAL 34 HG12 VAL 34 -3.330 -4.564 -3.425
244 HG13 VAL 34 HG13 VAL 34 -1.801 -3.700 -3.267
245 HG21 VAL 34 HG21 VAL 34 -1.946 -6.191 -0.447
246 HG22 VAL 34 HG22 VAL 34 -1.013 -5.754 -1.880
247 HG23 VAL 34 HG23 VAL 34 -2.626 -6.449 -2.054
248 H CYS 35 H CYS 35 0.348 -4.270 0.567
249 HA CYS 35 HA CYS 35 2.118 -3.157 -1.484
250 HB2 CYS 35 HB2 CYS 35 2.747 -4.199 1.286
251 HB3 CYS 35 HB3 CYS 35 3.897 -3.441 0.187
252 H TYR 36 H TYR 36 3.519 -4.385 -2.646
253 HA TYR 36 HA TYR 36 3.218 -7.307 -2.381
254 HB2 TYR 36 HB2 TYR 36 3.512 -5.564 -4.821
255 HB3 TYR 36 HB3 TYR 36 3.847 -7.289 -4.871
256 HD1 TYR 36 HD1 TYR 36 1.155 -4.839 -4.042
257 HD2 TYR 36 HD2 TYR 36 2.120 -8.809 -5.231
258 HE1 TYR 36 HE1 TYR 36 -1.223 -5.290 -4.453
259 HE2 TYR 36 HE2 TYR 36 -0.255 -9.268 -5.647
260 HH TYR 36 HH TYR 36 -2.440 -8.440 -4.990
261 HA PRO 37 HA PRO 37 7.663 -6.724 -1.659
262 HB2 PRO 37 HB2 PRO 37 7.958 -8.892 -0.069
263 HB3 PRO 37 HB3 PRO 37 7.380 -7.333 0.526
264 HG2 PRO 37 HG2 PRO 37 5.863 -9.814 -0.072
265 HG3 PRO 37 HG3 PRO 37 5.574 -8.584 1.166
266 HD2 PRO 37 HD2 PRO 37 4.200 -8.809 -1.240
267 HD3 PRO 37 HD3 PRO 37 4.250 -7.365 -0.212
Start of MODEL 3
1 H PCA 1 H PCA 1 0.440 -11.365 0.603
2 HA PCA 1 HA PCA 1 1.746 -9.300 -0.590
3 HB2 PCA 1 HB2 PCA 1 0.246 -8.426 -2.031
4 HB3 PCA 1 HB3 PCA 1 -1.031 -8.519 -0.812
5 HG2 PCA 1 HG2 PCA 1 -0.512 -10.328 -3.034
6 HG3 PCA 1 HG3 PCA 1 -1.879 -10.340 -1.887
7 HT2 PCA 1 HT2 PCA 1 1.635 -11.406 -0.444
8 H ILE 2 H ILE 2 0.901 -7.210 0.557
9 HA ILE 2 HA ILE 2 -0.061 -7.981 3.235
10 HB ILE 2 HB ILE 2 1.977 -5.823 2.686
11 HG12 ILE 2 HG12 ILE 2 2.407 -8.581 3.865
12 HG13 ILE 2 HG13 ILE 2 2.863 -8.108 2.233
13 HG21 ILE 2 HG21 ILE 2 1.016 -7.064 5.261
14 HG22 ILE 2 HG22 ILE 2 0.577 -5.467 4.660
15 HG23 ILE 2 HG23 ILE 2 2.248 -5.810 5.111
16 HD11 ILE 2 HD11 ILE 2 4.776 -8.083 3.719
17 HD12 ILE 2 HD12 ILE 2 3.957 -6.937 4.779
18 HD13 ILE 2 HD13 ILE 2 4.411 -6.457 3.144
19 H GLU 3 H GLU 3 -2.173 -7.353 2.765
20 HA GLU 3 HA GLU 3 -2.826 -4.696 1.945
21 HB2 GLU 3 HB2 GLU 3 -4.485 -6.853 3.251
22 HB3 GLU 3 HB3 GLU 3 -5.133 -5.313 2.706
23 HG2 GLU 3 HG2 GLU 3 -4.448 -5.838 0.421
24 HG3 GLU 3 HG3 GLU 3 -3.819 -7.390 0.970
25 H THR 4 H THR 4 -2.051 -3.137 3.192
26 HA THR 4 HA THR 4 -2.190 -3.323 6.094
27 HB THR 4 HB THR 4 -0.919 -1.220 6.077
28 HG1 THR 4 HG1 THR 4 -1.105 -1.414 3.231
29 HG21 THR 4 HG21 THR 4 0.332 -3.313 5.882
30 HG22 THR 4 HG22 THR 4 1.121 -2.023 4.975
31 HG23 THR 4 HG23 THR 4 0.176 -3.248 4.125
32 H ASN 5 H ASN 5 -2.959 -1.294 7.256
33 HA ASN 5 HA ASN 5 -5.598 -0.624 6.234
34 HB2 ASN 5 HB2 ASN 5 -5.197 -1.295 8.635
35 HB3 ASN 5 HB3 ASN 5 -4.348 0.230 8.854
36 HD21 ASN 5 HD21 ASN 5 -5.806 0.974 10.378
37 HD22 ASN 5 HD22 ASN 5 -7.414 1.465 9.964
38 H LYS 6 H LYS 6 -2.827 0.471 5.366
39 HA LYS 6 HA LYS 6 -3.013 3.291 5.797
40 HB2 LYS 6 HB2 LYS 6 -1.448 1.676 3.774
41 HB3 LYS 6 HB3 LYS 6 -1.282 3.409 3.998
42 HG2 LYS 6 HG2 LYS 6 -0.707 1.314 6.079
43 HG3 LYS 6 HG3 LYS 6 0.497 2.171 5.113
44 HD2 LYS 6 HD2 LYS 6 -0.331 4.304 6.065
45 HD3 LYS 6 HD3 LYS 6 -1.420 3.382 7.102
46 HE2 LYS 6 HE2 LYS 6 0.500 2.263 8.120
47 HE3 LYS 6 HE3 LYS 6 1.586 3.185 7.081
48 HZ1 LYS 6 HZ1 LYS 6 -0.205 4.313 9.109
49 HZ2 LYS 6 HZ2 LYS 6 0.752 5.186 8.130
50 HZ3 LYS 6 HZ3 LYS 6 1.412 4.189 9.231
51 H LYS 7 H LYS 7 -3.629 4.869 4.293
52 HA LYS 7 HA LYS 7 -5.723 3.940 2.486
53 HB2 LYS 7 HB2 LYS 7 -5.112 6.628 3.700
54 HB3 LYS 7 HB3 LYS 7 -6.262 6.447 2.386
55 HG2 LYS 7 HG2 LYS 7 -7.458 6.502 4.459
56 HG3 LYS 7 HG3 LYS 7 -7.562 4.874 3.791
57 HD2 LYS 7 HD2 LYS 7 -5.694 4.205 5.290
58 HD3 LYS 7 HD3 LYS 7 -5.762 5.808 6.024
59 HE2 LYS 7 HE2 LYS 7 -8.052 5.405 6.730
60 HE3 LYS 7 HE3 LYS 7 -8.034 3.828 5.941
61 HZ1 LYS 7 HZ1 LYS 7 -7.620 3.610 8.274
62 HZ2 LYS 7 HZ2 LYS 7 -6.354 4.624 8.212
63 HZ3 LYS 7 HZ3 LYS 7 -6.274 3.185 7.458
64 H CYS 8 H CYS 8 -5.856 4.552 0.364
65 HA CYS 8 HA CYS 8 -3.481 4.394 -1.087
66 HB2 CYS 8 HB2 CYS 8 -6.090 5.465 -2.158
67 HB3 CYS 8 HB3 CYS 8 -4.835 4.592 -3.035
68 H GLN 9 H GLN 9 -2.506 5.884 -2.570
69 HA GLN 9 HA GLN 9 -2.951 8.719 -1.934
70 HB2 GLN 9 HB2 GLN 9 -1.050 7.730 -0.598
71 HB3 GLN 9 HB3 GLN 9 -0.222 7.444 -2.120
72 HG2 GLN 9 HG2 GLN 9 -0.227 9.824 -2.597
73 HG3 GLN 9 HG3 GLN 9 -1.095 10.134 -1.097
74 HE21 GLN 9 HE21 GLN 9 1.447 7.759 -1.399
75 HE22 GLN 9 HE22 GLN 9 2.607 8.597 -0.429
76 H GLY 10 H GLY 10 -3.561 9.537 -3.836
77 HA2 GLY 10 HA2 GLY 10 -3.345 10.232 -6.029
78 HA3 GLY 10 HA3 GLY 10 -1.811 9.377 -6.108
79 H GLY 11 H GLY 11 -4.456 7.557 -4.970
80 HA2 GLY 11 HA2 GLY 11 -5.967 6.177 -6.135
81 HA3 GLY 11 HA3 GLY 11 -5.102 6.522 -7.624
82 H SER 12 H SER 12 -2.794 5.866 -5.370
83 HA SER 12 HA SER 12 -2.959 2.969 -5.539
84 HB2 SER 12 HB2 SER 12 -0.830 2.717 -6.660
85 HB3 SER 12 HB3 SER 12 -1.898 3.717 -7.641
86 HG SER 12 HG SER 12 -0.570 5.323 -7.457
87 H CYS 13 H CYS 13 -0.689 2.113 -4.617
88 HA CYS 13 HA CYS 13 0.026 3.803 -2.330
89 HB2 CYS 13 HB2 CYS 13 -0.779 0.896 -2.241
90 HB3 CYS 13 HB3 CYS 13 -0.030 1.753 -0.897
91 H ALA 14 H ALA 14 1.308 3.062 -4.902
92 HA ALA 14 HA ALA 14 3.417 1.254 -4.480
93 HB1 ALA 14 HB1 ALA 14 2.731 2.057 -6.698
94 HB2 ALA 14 HB2 ALA 14 4.458 2.282 -6.420
95 HB3 ALA 14 HB3 ALA 14 3.359 3.656 -6.303
96 H SER 15 H SER 15 3.296 4.795 -4.176
97 HA SER 15 HA SER 15 5.961 4.992 -3.180
98 HB2 SER 15 HB2 SER 15 3.721 7.019 -2.975
99 HB3 SER 15 HB3 SER 15 5.451 7.336 -2.828
100 HG SER 15 HG SER 15 4.018 7.395 -5.018
101 H VAL 16 H VAL 16 2.797 4.589 -1.773
102 HA VAL 16 HA VAL 16 3.415 5.219 0.905
103 HB VAL 16 HB VAL 16 1.378 3.252 -0.162
104 HG11 VAL 16 HG11 VAL 16 0.262 3.509 2.004
105 HG12 VAL 16 HG12 VAL 16 1.592 4.519 2.569
106 HG13 VAL 16 HG13 VAL 16 1.875 2.822 2.185
107 HG21 VAL 16 HG21 VAL 16 1.082 6.141 0.659
108 HG22 VAL 16 HG22 VAL 16 -0.227 5.073 0.152
109 HG23 VAL 16 HG23 VAL 16 1.038 5.522 -0.991
110 H CYS 17 H CYS 17 3.234 2.051 -0.714
111 HA CYS 17 HA CYS 17 4.252 0.610 1.486
112 HB2 CYS 17 HB2 CYS 17 4.050 -0.093 -1.441
113 HB3 CYS 17 HB3 CYS 17 4.517 -1.234 -0.184
114 H ARG 18 H ARG 18 5.784 2.392 -1.039
115 HA ARG 18 HA ARG 18 8.347 1.244 -0.946
116 HB2 ARG 18 HB2 ARG 18 7.565 2.848 -2.672
117 HB3 ARG 18 HB3 ARG 18 7.603 4.128 -1.471
118 HG2 ARG 18 HG2 ARG 18 10.008 3.850 -1.234
119 HG3 ARG 18 HG3 ARG 18 9.979 2.542 -2.418
120 HD2 ARG 18 HD2 ARG 18 9.200 4.065 -4.128
121 HD3 ARG 18 HD3 ARG 18 9.105 5.376 -2.954
122 HE ARG 18 HE ARG 18 11.723 4.400 -2.948
123 HH11 ARG 18 HH11 ARG 18 9.532 6.067 -5.103
124 HH12 ARG 18 HH12 ARG 18 10.795 6.894 -5.956
125 HH21 ARG 18 HH21 ARG 18 13.389 5.489 -4.053
126 HH22 ARG 18 HH22 ARG 18 12.995 6.577 -5.350
127 H LYS 19 H LYS 19 6.648 3.339 1.211
128 HA LYS 19 HA LYS 19 9.043 3.876 2.797
129 HB2 LYS 19 HB2 LYS 19 7.496 5.729 2.409
130 HB3 LYS 19 HB3 LYS 19 6.182 4.800 3.109
131 HG2 LYS 19 HG2 LYS 19 7.312 4.829 5.274
132 HG3 LYS 19 HG3 LYS 19 8.629 5.767 4.568
133 HD2 LYS 19 HD2 LYS 19 7.101 7.577 4.054
134 HD3 LYS 19 HD3 LYS 19 5.744 6.635 4.672
135 HE2 LYS 19 HE2 LYS 19 8.121 7.551 6.287
136 HE3 LYS 19 HE3 LYS 19 6.534 8.318 6.284
137 HZ1 LYS 19 HZ1 LYS 19 7.131 5.592 7.187
138 HZ2 LYS 19 HZ2 LYS 19 5.640 6.230 7.116
139 HZ3 LYS 19 HZ3 LYS 19 6.738 6.856 8.134
140 H VAL 20 H VAL 20 6.037 2.074 2.864
141 HA VAL 20 HA VAL 20 6.177 1.305 5.596
142 HB VAL 20 HB VAL 20 4.666 0.003 3.326
143 HG11 VAL 20 HG11 VAL 20 3.246 -0.954 5.087
144 HG12 VAL 20 HG12 VAL 20 4.327 -0.284 6.308
145 HG13 VAL 20 HG13 VAL 20 4.911 -1.523 5.198
146 HG21 VAL 20 HG21 VAL 20 2.738 1.262 4.170
147 HG22 VAL 20 HG22 VAL 20 4.033 2.335 3.639
148 HG23 VAL 20 HG23 VAL 20 3.776 2.047 5.361
149 H ILE 21 H ILE 21 6.603 -0.725 2.669
150 HA ILE 21 HA ILE 21 8.155 -2.578 4.324
151 HB ILE 21 HB ILE 21 7.942 -4.175 2.445
152 HG12 ILE 21 HG12 ILE 21 6.014 -2.182 1.250
153 HG13 ILE 21 HG13 ILE 21 7.663 -2.397 0.675
154 HG21 ILE 21 HG21 ILE 21 5.351 -3.042 3.483
155 HG22 ILE 21 HG22 ILE 21 6.369 -4.239 4.285
156 HG23 ILE 21 HG23 ILE 21 5.556 -4.643 2.772
157 HD11 ILE 21 HD11 ILE 21 5.558 -4.545 0.724
158 HD12 ILE 21 HD12 ILE 21 7.184 -4.681 0.057
159 HD13 ILE 21 HD13 ILE 21 6.013 -3.593 -0.688
160 H GLY 22 H GLY 22 8.444 -0.438 1.579
161 HA2 GLY 22 HA2 GLY 22 10.754 0.491 1.387
162 HA3 GLY 22 HA3 GLY 22 11.304 -1.174 1.410
163 H VAL 23 H VAL 23 9.099 -2.083 -0.271
164 HA VAL 23 HA VAL 23 10.328 -1.366 -2.806
165 HB VAL 23 HB VAL 23 8.058 -3.287 -2.614
166 HG11 VAL 23 HG11 VAL 23 10.578 -3.157 -4.240
167 HG12 VAL 23 HG12 VAL 23 8.945 -2.770 -4.781
168 HG13 VAL 23 HG13 VAL 23 9.365 -4.431 -4.362
169 HG21 VAL 23 HG21 VAL 23 9.483 -3.910 -0.735
170 HG22 VAL 23 HG22 VAL 23 10.888 -3.939 -1.801
171 HG23 VAL 23 HG23 VAL 23 9.585 -5.107 -2.026
172 H ALA 24 H ALA 24 9.149 -0.619 -4.586
173 HA ALA 24 HA ALA 24 6.950 1.114 -3.781
174 HB1 ALA 24 HB1 ALA 24 7.350 2.318 -5.842
175 HB2 ALA 24 HB2 ALA 24 8.480 1.074 -6.380
176 HB3 ALA 24 HB3 ALA 24 8.874 2.079 -4.986
177 H ALA 25 H ALA 25 6.129 -1.433 -3.794
178 HA ALA 25 HA ALA 25 4.351 -1.496 -6.139
179 HB1 ALA 25 HB1 ALA 25 5.435 -3.874 -4.636
180 HB2 ALA 25 HB2 ALA 25 5.934 -3.352 -6.245
181 HB3 ALA 25 HB3 ALA 25 4.289 -3.927 -5.976
182 H GLY 26 H GLY 26 2.396 -0.926 -5.518
183 HA2 GLY 26 HA2 GLY 26 1.073 -2.188 -3.317
184 HA3 GLY 26 HA3 GLY 26 1.501 -0.519 -2.961
185 H LYS 27 H LYS 27 -0.997 -2.304 -3.820
186 HA LYS 27 HA LYS 27 -2.037 -0.401 -5.810
187 HB2 LYS 27 HB2 LYS 27 -2.956 -3.211 -5.173
188 HB3 LYS 27 HB3 LYS 27 -3.698 -2.149 -6.362
189 HG2 LYS 27 HG2 LYS 27 -1.605 -2.115 -7.629
190 HG3 LYS 27 HG3 LYS 27 -0.882 -3.208 -6.446
191 HD2 LYS 27 HD2 LYS 27 -1.591 -4.513 -8.326
192 HD3 LYS 27 HD3 LYS 27 -2.677 -4.859 -6.980
193 HE2 LYS 27 HE2 LYS 27 -4.347 -3.364 -7.912
194 HE3 LYS 27 HE3 LYS 27 -3.252 -2.920 -9.219
195 HZ1 LYS 27 HZ1 LYS 27 -4.769 -4.546 -9.993
196 HZ2 LYS 27 HZ2 LYS 27 -4.448 -5.558 -8.764
197 HZ3 LYS 27 HZ3 LYS 27 -3.311 -5.263 -9.887
198 H CYS 28 H CYS 28 -4.426 -0.058 -5.670
199 HA CYS 28 HA CYS 28 -5.060 0.615 -2.886
200 HB2 CYS 28 HB2 CYS 28 -4.975 2.470 -4.505
201 HB3 CYS 28 HB3 CYS 28 -6.214 1.681 -5.473
202 H ILE 29 H ILE 29 -6.105 -1.100 -2.019
203 HA ILE 29 HA ILE 29 -8.390 -2.207 -3.522
204 HB ILE 29 HB ILE 29 -6.830 -3.435 -1.244
205 HG12 ILE 29 HG12 ILE 29 -7.043 -4.212 -4.160
206 HG13 ILE 29 HG13 ILE 29 -5.638 -3.481 -3.389
207 HG21 ILE 29 HG21 ILE 29 -8.221 -5.425 -1.619
208 HG22 ILE 29 HG22 ILE 29 -9.186 -4.519 -2.784
209 HG23 ILE 29 HG23 ILE 29 -9.171 -4.040 -1.086
210 HD11 ILE 29 HD11 ILE 29 -5.332 -5.865 -3.678
211 HD12 ILE 29 HD12 ILE 29 -6.800 -6.181 -2.754
212 HD13 ILE 29 HD13 ILE 29 -5.402 -5.452 -1.966
213 H ASN 30 H ASN 30 -10.171 -1.146 -2.941
214 HA ASN 30 HA ASN 30 -11.858 -0.288 -1.714
215 HB2 ASN 30 HB2 ASN 30 -10.812 -2.202 0.379
216 HB3 ASN 30 HB3 ASN 30 -12.376 -1.410 0.408
217 HD21 ASN 30 HD21 ASN 30 -11.683 -4.245 0.365
218 HD22 ASN 30 HD22 ASN 30 -12.493 -4.908 -1.003
219 H GLY 31 H GLY 31 -9.309 1.091 -1.628
220 HA2 GLY 31 HA2 GLY 31 -8.769 3.134 -0.627
221 HA3 GLY 31 HA3 GLY 31 -9.868 2.755 0.689
222 H ARG 32 H ARG 32 -8.067 0.059 0.296
223 HA ARG 32 HA ARG 32 -6.161 0.909 2.363
224 HB2 ARG 32 HB2 ARG 32 -7.429 -1.739 1.737
225 HB3 ARG 32 HB3 ARG 32 -5.916 -1.670 2.629
226 HG2 ARG 32 HG2 ARG 32 -7.707 -1.845 4.191
227 HG3 ARG 32 HG3 ARG 32 -7.039 -0.219 4.304
228 HD2 ARG 32 HD2 ARG 32 -8.861 0.625 2.910
229 HD3 ARG 32 HD3 ARG 32 -9.527 -1.004 2.797
230 HE ARG 32 HE ARG 32 -9.302 -0.416 5.497
231 HH11 ARG 32 HH11 ARG 32 -11.040 0.794 2.713
232 HH12 ARG 32 HH12 ARG 32 -12.392 1.357 3.646
233 HH21 ARG 32 HH21 ARG 32 -11.089 0.325 6.729
234 HH22 ARG 32 HH22 ARG 32 -12.425 1.083 5.918
235 H CYS 33 H CYS 33 -4.031 -0.041 2.305
236 HA CYS 33 HA CYS 33 -3.030 -0.053 -0.442
237 HB2 CYS 33 HB2 CYS 33 -1.701 0.537 2.200
238 HB3 CYS 33 HB3 CYS 33 -0.822 0.426 0.678
239 H VAL 34 H VAL 34 -2.793 -2.021 -1.250
240 HA VAL 34 HA VAL 34 -1.816 -4.166 0.466
241 HB VAL 34 HB VAL 34 -3.664 -4.760 -0.992
242 HG11 VAL 34 HG11 VAL 34 -1.870 -3.959 -3.254
243 HG12 VAL 34 HG12 VAL 34 -3.380 -3.188 -2.773
244 HG13 VAL 34 HG13 VAL 34 -3.394 -4.825 -3.431
245 HG21 VAL 34 HG21 VAL 34 -2.711 -6.724 -2.086
246 HG22 VAL 34 HG22 VAL 34 -2.043 -6.492 -0.470
247 HG23 VAL 34 HG23 VAL 34 -1.095 -6.044 -1.888
248 H CYS 35 H CYS 35 0.266 -4.173 0.777
249 HA CYS 35 HA CYS 35 2.087 -3.137 -1.217
250 HB2 CYS 35 HB2 CYS 35 2.623 -4.319 1.516
251 HB3 CYS 35 HB3 CYS 35 3.798 -3.480 0.508
252 H TYR 36 H TYR 36 3.506 -4.286 -2.421
253 HA TYR 36 HA TYR 36 3.359 -7.220 -2.171
254 HB2 TYR 36 HB2 TYR 36 3.556 -5.486 -4.629
255 HB3 TYR 36 HB3 TYR 36 3.974 -7.197 -4.656
256 HD1 TYR 36 HD1 TYR 36 2.291 -8.873 -4.666
257 HD2 TYR 36 HD2 TYR 36 1.204 -4.795 -4.151
258 HE1 TYR 36 HE1 TYR 36 -0.063 -9.463 -5.018
259 HE2 TYR 36 HE2 TYR 36 -1.160 -5.377 -4.493
260 HH TYR 36 HH TYR 36 -2.433 -7.255 -5.697
261 HA PRO 37 HA PRO 37 7.697 -6.368 -1.287
262 HB2 PRO 37 HB2 PRO 37 8.136 -8.715 0.013
263 HB3 PRO 37 HB3 PRO 37 7.440 -7.287 0.781
264 HG2 PRO 37 HG2 PRO 37 6.110 -9.766 -0.162
265 HG3 PRO 37 HG3 PRO 37 5.712 -8.719 1.208
266 HD2 PRO 37 HD2 PRO 37 4.388 -8.736 -1.220
267 HD3 PRO 37 HD3 PRO 37 4.361 -7.403 -0.051
Start of MODEL 4
1 H PCA 1 H PCA 1 0.677 -11.209 0.621
2 HA PCA 1 HA PCA 1 1.415 -8.948 -0.654
3 HB2 PCA 1 HB2 PCA 1 -0.193 -8.590 -2.195
4 HB3 PCA 1 HB3 PCA 1 -1.418 -8.716 -0.927
5 HG2 PCA 1 HG2 PCA 1 -0.798 -10.647 -2.966
6 HG3 PCA 1 HG3 PCA 1 -1.977 -10.807 -1.635
7 HT2 PCA 1 HT2 PCA 1 1.780 -11.025 -0.510
8 H ILE 2 H ILE 2 0.632 -7.103 0.582
9 HA ILE 2 HA ILE 2 -0.574 -7.918 3.150
10 HB ILE 2 HB ILE 2 1.540 -5.785 2.820
11 HG12 ILE 2 HG12 ILE 2 1.826 -8.576 3.955
12 HG13 ILE 2 HG13 ILE 2 2.432 -8.062 2.385
13 HG21 ILE 2 HG21 ILE 2 0.017 -5.426 4.693
14 HG22 ILE 2 HG22 ILE 2 1.630 -5.850 5.264
15 HG23 ILE 2 HG23 ILE 2 0.343 -7.055 5.281
16 HD11 ILE 2 HD11 ILE 2 4.200 -8.124 4.048
17 HD12 ILE 2 HD12 ILE 2 3.310 -6.980 5.052
18 HD13 ILE 2 HD13 ILE 2 3.926 -6.478 3.477
19 H GLU 3 H GLU 3 -2.637 -7.188 2.748
20 HA GLU 3 HA GLU 3 -3.202 -4.538 1.837
21 HB2 GLU 3 HB2 GLU 3 -4.879 -6.630 3.217
22 HB3 GLU 3 HB3 GLU 3 -5.514 -5.062 2.736
23 HG2 GLU 3 HG2 GLU 3 -5.195 -5.529 0.447
24 HG3 GLU 3 HG3 GLU 3 -4.215 -6.951 0.799
25 H THR 4 H THR 4 -2.042 -3.135 3.109
26 HA THR 4 HA THR 4 -2.189 -3.178 5.973
27 HB THR 4 HB THR 4 -0.964 -1.038 5.853
28 HG1 THR 4 HG1 THR 4 -1.222 -1.352 3.024
29 HG21 THR 4 HG21 THR 4 1.057 -1.875 4.750
30 HG22 THR 4 HG22 THR 4 0.106 -3.134 3.959
31 HG23 THR 4 HG23 THR 4 0.290 -3.138 5.714
32 H ASN 5 H ASN 5 -3.095 -1.456 7.270
33 HA ASN 5 HA ASN 5 -5.724 -0.704 6.319
34 HB2 ASN 5 HB2 ASN 5 -5.194 -1.610 8.642
35 HB3 ASN 5 HB3 ASN 5 -4.490 -0.040 8.996
36 HD21 ASN 5 HD21 ASN 5 -7.413 -1.794 8.348
37 HD22 ASN 5 HD22 ASN 5 -8.509 -0.572 8.887
38 H LYS 6 H LYS 6 -3.619 0.533 4.948
39 HA LYS 6 HA LYS 6 -3.810 3.342 5.811
40 HB2 LYS 6 HB2 LYS 6 -1.762 2.030 4.006
41 HB3 LYS 6 HB3 LYS 6 -1.779 3.724 4.472
42 HG2 LYS 6 HG2 LYS 6 -1.402 3.112 6.790
43 HG3 LYS 6 HG3 LYS 6 -1.442 1.403 6.356
44 HD2 LYS 6 HD2 LYS 6 0.509 1.732 4.908
45 HD3 LYS 6 HD3 LYS 6 0.555 3.436 5.365
46 HE2 LYS 6 HE2 LYS 6 0.809 1.138 7.294
47 HE3 LYS 6 HE3 LYS 6 2.174 2.014 6.605
48 HZ1 LYS 6 HZ1 LYS 6 0.075 3.200 8.281
49 HZ2 LYS 6 HZ2 LYS 6 1.341 3.999 7.654
50 HZ3 LYS 6 HZ3 LYS 6 1.586 2.845 8.772
51 H LYS 7 H LYS 7 -4.193 4.920 4.157
52 HA LYS 7 HA LYS 7 -5.887 3.867 2.034
53 HB2 LYS 7 HB2 LYS 7 -5.655 6.471 3.454
54 HB3 LYS 7 HB3 LYS 7 -6.241 6.500 1.799
55 HG2 LYS 7 HG2 LYS 7 -8.086 6.415 3.372
56 HG3 LYS 7 HG3 LYS 7 -8.028 4.945 2.400
57 HD2 LYS 7 HD2 LYS 7 -6.756 3.885 4.308
58 HD3 LYS 7 HD3 LYS 7 -7.170 5.309 5.263
59 HE2 LYS 7 HE2 LYS 7 -9.126 3.434 3.940
60 HE3 LYS 7 HE3 LYS 7 -8.733 3.467 5.657
61 HZ1 LYS 7 HZ1 LYS 7 -10.750 4.663 5.174
62 HZ2 LYS 7 HZ2 LYS 7 -9.969 5.669 4.167
63 HZ3 LYS 7 HZ3 LYS 7 -9.622 5.680 5.756
64 H CYS 8 H CYS 8 -5.531 4.144 -0.082
65 HA CYS 8 HA CYS 8 -2.917 4.270 -1.004
66 HB2 CYS 8 HB2 CYS 8 -4.129 4.639 -3.291
67 HB3 CYS 8 HB3 CYS 8 -4.312 3.122 -2.421
68 H GLN 9 H GLN 9 -1.804 5.729 -2.315
69 HA GLN 9 HA GLN 9 -2.214 8.473 -1.427
70 HB2 GLN 9 HB2 GLN 9 -0.002 7.206 -1.248
71 HB3 GLN 9 HB3 GLN 9 0.121 7.372 -2.992
72 HG2 GLN 9 HG2 GLN 9 1.403 9.118 -2.131
73 HG3 GLN 9 HG3 GLN 9 -0.116 9.874 -2.609
74 HE21 GLN 9 HE21 GLN 9 -1.560 10.547 -1.008
75 HE22 GLN 9 HE22 GLN 9 -1.064 10.762 0.633
76 H GLY 10 H GLY 10 -4.149 8.385 -2.991
77 HA2 GLY 10 HA2 GLY 10 -5.019 9.543 -4.800
78 HA3 GLY 10 HA3 GLY 10 -3.379 9.902 -5.318
79 H GLY 11 H GLY 11 -5.006 6.795 -4.764
80 HA2 GLY 11 HA2 GLY 11 -5.899 5.585 -6.722
81 HA3 GLY 11 HA3 GLY 11 -4.499 6.170 -7.609
82 H SER 12 H SER 12 -2.341 5.516 -6.564
83 HA SER 12 HA SER 12 -2.555 2.665 -5.871
84 HB2 SER 12 HB2 SER 12 -0.199 4.093 -7.112
85 HB3 SER 12 HB3 SER 12 -0.399 2.351 -6.906
86 HG SER 12 HG SER 12 -2.516 3.137 -8.212
87 H CYS 13 H CYS 13 -0.398 1.934 -4.731
88 HA CYS 13 HA CYS 13 0.120 3.843 -2.546
89 HB2 CYS 13 HB2 CYS 13 -0.239 0.848 -2.340
90 HB3 CYS 13 HB3 CYS 13 0.200 1.911 -1.008
91 H ALA 14 H ALA 14 1.639 3.359 -4.976
92 HA ALA 14 HA ALA 14 3.841 1.675 -4.565
93 HB1 ALA 14 HB1 ALA 14 3.233 2.696 -6.738
94 HB2 ALA 14 HB2 ALA 14 4.936 2.907 -6.326
95 HB3 ALA 14 HB3 ALA 14 3.811 4.249 -6.135
96 H SER 15 H SER 15 3.493 5.160 -3.938
97 HA SER 15 HA SER 15 6.050 5.485 -2.774
98 HB2 SER 15 HB2 SER 15 3.597 7.172 -2.245
99 HB3 SER 15 HB3 SER 15 5.287 7.669 -2.143
100 HG SER 15 HG SER 15 5.457 7.574 -4.337
101 H VAL 16 H VAL 16 2.873 4.749 -1.437
102 HA VAL 16 HA VAL 16 3.476 5.118 1.280
103 HB VAL 16 HB VAL 16 1.473 3.206 0.064
104 HG11 VAL 16 HG11 VAL 16 0.296 3.418 2.213
105 HG12 VAL 16 HG12 VAL 16 1.635 4.380 2.837
106 HG13 VAL 16 HG13 VAL 16 1.894 2.693 2.396
107 HG21 VAL 16 HG21 VAL 16 1.115 5.476 -0.717
108 HG22 VAL 16 HG22 VAL 16 1.147 6.072 0.942
109 HG23 VAL 16 HG23 VAL 16 -0.156 5.008 0.412
110 H CYS 17 H CYS 17 3.336 2.102 -0.616
111 HA CYS 17 HA CYS 17 4.340 0.485 1.471
112 HB2 CYS 17 HB2 CYS 17 4.237 0.006 -1.512
113 HB3 CYS 17 HB3 CYS 17 4.588 -1.226 -0.303
114 H ARG 18 H ARG 18 5.871 2.415 -0.981
115 HA ARG 18 HA ARG 18 8.443 1.259 -0.889
116 HB2 ARG 18 HB2 ARG 18 7.669 2.862 -2.623
117 HB3 ARG 18 HB3 ARG 18 7.706 4.142 -1.420
118 HG2 ARG 18 HG2 ARG 18 10.117 3.826 -1.162
119 HG3 ARG 18 HG3 ARG 18 10.073 2.554 -2.384
120 HD2 ARG 18 HD2 ARG 18 10.799 4.655 -3.362
121 HD3 ARG 18 HD3 ARG 18 9.242 4.165 -4.026
122 HE ARG 18 HE ARG 18 9.128 5.988 -1.777
123 HH11 ARG 18 HH11 ARG 18 9.189 5.676 -5.270
124 HH12 ARG 18 HH12 ARG 18 8.453 7.224 -5.538
125 HH21 ARG 18 HH21 ARG 18 8.186 8.014 -2.136
126 HH22 ARG 18 HH22 ARG 18 7.890 8.558 -3.761
127 H LYS 19 H LYS 19 6.767 3.518 1.154
128 HA LYS 19 HA LYS 19 9.105 4.200 2.705
129 HB2 LYS 19 HB2 LYS 19 7.308 5.834 2.370
130 HB3 LYS 19 HB3 LYS 19 6.161 4.754 3.147
131 HG2 LYS 19 HG2 LYS 19 6.760 6.452 4.702
132 HG3 LYS 19 HG3 LYS 19 7.497 4.944 5.237
133 HD2 LYS 19 HD2 LYS 19 9.627 5.654 4.236
134 HD3 LYS 19 HD3 LYS 19 8.873 7.172 3.746
135 HE2 LYS 19 HE2 LYS 19 8.413 7.690 6.098
136 HE3 LYS 19 HE3 LYS 19 9.189 6.183 6.577
137 HZ1 LYS 19 HZ1 LYS 19 10.505 8.426 5.224
138 HZ2 LYS 19 HZ2 LYS 19 11.228 7.028 5.625
139 HZ3 LYS 19 HZ3 LYS 19 10.683 8.021 6.791
140 H VAL 20 H VAL 20 6.424 1.962 2.866
141 HA VAL 20 HA VAL 20 6.866 1.282 5.634
142 HB VAL 20 HB VAL 20 5.093 -0.064 3.588
143 HG11 VAL 20 HG11 VAL 20 5.128 -0.291 6.598
144 HG12 VAL 20 HG12 VAL 20 5.624 -1.539 5.454
145 HG13 VAL 20 HG13 VAL 20 3.939 -1.028 5.522
146 HG21 VAL 20 HG21 VAL 20 4.459 2.259 3.941
147 HG22 VAL 20 HG22 VAL 20 4.440 2.004 5.686
148 HG23 VAL 20 HG23 VAL 20 3.268 1.175 4.660
149 H ILE 21 H ILE 21 6.949 -0.709 2.646
150 HA ILE 21 HA ILE 21 8.670 -2.590 4.100
151 HB ILE 21 HB ILE 21 8.145 -4.216 2.325
152 HG12 ILE 21 HG12 ILE 21 6.215 -2.122 1.300
153 HG13 ILE 21 HG13 ILE 21 7.736 -2.541 0.520
154 HG21 ILE 21 HG21 ILE 21 6.794 -4.178 4.334
155 HG22 ILE 21 HG22 ILE 21 5.786 -4.566 2.939
156 HG23 ILE 21 HG23 ILE 21 5.745 -2.946 3.633
157 HD11 ILE 21 HD11 ILE 21 5.819 -3.612 -0.548
158 HD12 ILE 21 HD12 ILE 21 5.435 -4.426 0.969
159 HD13 ILE 21 HD13 ILE 21 6.939 -4.795 0.127
160 H GLY 22 H GLY 22 8.893 -0.144 1.812
161 HA2 GLY 22 HA2 GLY 22 10.945 0.663 1.002
162 HA3 GLY 22 HA3 GLY 22 11.658 -0.915 1.290
163 H VAL 23 H VAL 23 8.783 -1.407 -0.262
164 HA VAL 23 HA VAL 23 10.109 -1.379 -2.893
165 HB VAL 23 HB VAL 23 7.798 -3.176 -2.337
166 HG11 VAL 23 HG11 VAL 23 8.525 -2.900 -4.618
167 HG12 VAL 23 HG12 VAL 23 8.863 -4.541 -4.070
168 HG13 VAL 23 HG13 VAL 23 10.168 -3.360 -4.173
169 HG21 VAL 23 HG21 VAL 23 9.346 -3.673 -0.523
170 HG22 VAL 23 HG22 VAL 23 10.662 -3.854 -1.681
171 HG23 VAL 23 HG23 VAL 23 9.317 -4.994 -1.690
172 H ALA 24 H ALA 24 8.903 -0.704 -4.644
173 HA ALA 24 HA ALA 24 6.740 1.107 -3.882
174 HB1 ALA 24 HB1 ALA 24 7.139 2.226 -6.003
175 HB2 ALA 24 HB2 ALA 24 8.303 0.982 -6.456
176 HB3 ALA 24 HB3 ALA 24 8.644 2.054 -5.099
177 H ALA 25 H ALA 25 6.123 -1.614 -3.973
178 HA ALA 25 HA ALA 25 4.258 -1.660 -6.249
179 HB1 ALA 25 HB1 ALA 25 5.317 -4.010 -4.684
180 HB2 ALA 25 HB2 ALA 25 5.845 -3.527 -6.297
181 HB3 ALA 25 HB3 ALA 25 4.190 -4.079 -6.038
182 H GLY 26 H GLY 26 2.347 -0.993 -5.601
183 HA2 GLY 26 HA2 GLY 26 1.013 -2.193 -3.370
184 HA3 GLY 26 HA3 GLY 26 1.498 -0.535 -3.041
185 H LYS 27 H LYS 27 -1.086 -2.173 -3.719
186 HA LYS 27 HA LYS 27 -2.163 -0.202 -5.630
187 HB2 LYS 27 HB2 LYS 27 -2.998 -3.084 -5.245
188 HB3 LYS 27 HB3 LYS 27 -3.752 -1.943 -6.350
189 HG2 LYS 27 HG2 LYS 27 -1.699 -1.773 -7.618
190 HG3 LYS 27 HG3 LYS 27 -0.887 -2.855 -6.488
191 HD2 LYS 27 HD2 LYS 27 -1.530 -4.093 -8.457
192 HD3 LYS 27 HD3 LYS 27 -2.506 -4.630 -7.090
193 HE2 LYS 27 HE2 LYS 27 -3.881 -4.381 -9.079
194 HE3 LYS 27 HE3 LYS 27 -4.345 -3.206 -7.854
195 HZ1 LYS 27 HZ1 LYS 27 -4.202 -2.229 -10.043
196 HZ2 LYS 27 HZ2 LYS 27 -2.633 -2.633 -10.165
197 HZ3 LYS 27 HZ3 LYS 27 -3.105 -1.554 -9.049
198 H CYS 28 H CYS 28 -4.616 -0.031 -5.401
199 HA CYS 28 HA CYS 28 -5.174 0.245 -2.526
200 HB2 CYS 28 HB2 CYS 28 -5.157 2.311 -4.016
201 HB3 CYS 28 HB3 CYS 28 -6.618 1.672 -4.757
202 H ILE 29 H ILE 29 -6.468 -1.216 -1.705
203 HA ILE 29 HA ILE 29 -8.629 -2.325 -3.379
204 HB ILE 29 HB ILE 29 -7.179 -3.626 -1.065
205 HG12 ILE 29 HG12 ILE 29 -7.308 -4.360 -3.999
206 HG13 ILE 29 HG13 ILE 29 -5.927 -3.628 -3.189
207 HG21 ILE 29 HG21 ILE 29 -9.550 -4.173 -1.027
208 HG22 ILE 29 HG22 ILE 29 -8.591 -5.576 -1.495
209 HG23 ILE 29 HG23 ILE 29 -9.476 -4.666 -2.718
210 HD11 ILE 29 HD11 ILE 29 -5.710 -5.608 -1.779
211 HD12 ILE 29 HD12 ILE 29 -5.601 -6.011 -3.493
212 HD13 ILE 29 HD13 ILE 29 -7.086 -6.341 -2.602
213 H ASN 30 H ASN 30 -10.399 -1.213 -2.858
214 HA ASN 30 HA ASN 30 -12.067 -0.227 -1.699
215 HB2 ASN 30 HB2 ASN 30 -11.276 -2.294 0.357
216 HB3 ASN 30 HB3 ASN 30 -12.746 -1.335 0.406
217 HD21 ASN 30 HD21 ASN 30 -12.377 -4.222 0.232
218 HD22 ASN 30 HD22 ASN 30 -13.217 -4.719 -1.186
219 H GLY 31 H GLY 31 -9.595 1.090 -1.547
220 HA2 GLY 31 HA2 GLY 31 -8.996 3.070 -0.476
221 HA3 GLY 31 HA3 GLY 31 -10.091 2.667 0.836
222 H ARG 32 H ARG 32 -8.213 0.000 0.236
223 HA ARG 32 HA ARG 32 -6.338 0.772 2.365
224 HB2 ARG 32 HB2 ARG 32 -7.523 -1.877 1.585
225 HB3 ARG 32 HB3 ARG 32 -6.015 -1.810 2.483
226 HG2 ARG 32 HG2 ARG 32 -7.751 -2.137 4.051
227 HG3 ARG 32 HG3 ARG 32 -7.211 -0.468 4.223
228 HD2 ARG 32 HD2 ARG 32 -9.119 0.322 2.973
229 HD3 ARG 32 HD3 ARG 32 -9.625 -1.334 2.637
230 HE ARG 32 HE ARG 32 -9.419 -0.916 5.427
231 HH11 ARG 32 HH11 ARG 32 -11.473 -0.117 2.696
232 HH12 ARG 32 HH12 ARG 32 -12.911 -0.006 3.661
233 HH21 ARG 32 HH21 ARG 32 -11.296 -0.750 6.688
234 HH22 ARG 32 HH22 ARG 32 -12.809 -0.363 5.934
235 H CYS 33 H CYS 33 -4.178 -0.140 2.251
236 HA CYS 33 HA CYS 33 -3.205 -0.061 -0.511
237 HB2 CYS 33 HB2 CYS 33 -1.988 0.710 2.118
238 HB3 CYS 33 HB3 CYS 33 -0.956 0.341 0.740
239 H VAL 34 H VAL 34 -3.033 -2.060 -1.292
240 HA VAL 34 HA VAL 34 -1.985 -4.179 0.399
241 HB VAL 34 HB VAL 34 -3.814 -4.816 -1.035
242 HG11 VAL 34 HG11 VAL 34 -3.663 -3.233 -2.805
243 HG12 VAL 34 HG12 VAL 34 -3.557 -4.849 -3.504
244 HG13 VAL 34 HG13 VAL 34 -2.101 -3.872 -3.311
245 HG21 VAL 34 HG21 VAL 34 -2.166 -6.521 -0.585
246 HG22 VAL 34 HG22 VAL 34 -1.218 -6.005 -1.980
247 HG23 VAL 34 HG23 VAL 34 -2.813 -6.721 -2.213
248 H CYS 35 H CYS 35 0.092 -4.043 0.744
249 HA CYS 35 HA CYS 35 1.919 -3.093 -1.279
250 HB2 CYS 35 HB2 CYS 35 2.392 -4.166 1.509
251 HB3 CYS 35 HB3 CYS 35 3.634 -3.467 0.474
252 H TYR 36 H TYR 36 3.284 -4.266 -2.486
253 HA TYR 36 HA TYR 36 3.087 -7.200 -2.238
254 HB2 TYR 36 HB2 TYR 36 3.332 -5.424 -4.658
255 HB3 TYR 36 HB3 TYR 36 3.760 -7.129 -4.724
256 HD1 TYR 36 HD1 TYR 36 0.941 -4.791 -4.055
257 HD2 TYR 36 HD2 TYR 36 2.106 -8.781 -4.968
258 HE1 TYR 36 HE1 TYR 36 -1.398 -5.367 -4.509
259 HE2 TYR 36 HE2 TYR 36 -0.234 -9.365 -5.419
260 HH TYR 36 HH TYR 36 -2.710 -6.978 -5.690
261 HA PRO 37 HA PRO 37 7.526 -6.561 -1.419
262 HB2 PRO 37 HB2 PRO 37 7.293 -9.236 -0.251
263 HB3 PRO 37 HB3 PRO 37 7.811 -7.729 0.509
264 HG2 PRO 37 HG2 PRO 37 5.463 -8.909 1.121
265 HG3 PRO 37 HG3 PRO 37 5.669 -7.148 1.129
266 HD2 PRO 37 HD2 PRO 37 4.430 -8.901 -0.967
267 HD3 PRO 37 HD3 PRO 37 3.872 -7.337 -0.334
Start of MODEL 5
1 H PCA 1 H PCA 1 0.747 -11.239 0.301
2 HA PCA 1 HA PCA 1 1.468 -8.915 -0.899
3 HB2 PCA 1 HB2 PCA 1 -0.293 -8.338 -2.182
4 HB3 PCA 1 HB3 PCA 1 -1.415 -8.712 -0.868
5 HG2 PCA 1 HG2 PCA 1 -0.739 -10.332 -3.192
6 HG3 PCA 1 HG3 PCA 1 -1.974 -10.644 -1.940
7 HT2 PCA 1 HT2 PCA 1 1.805 -10.998 -0.863
8 H ILE 2 H ILE 2 0.767 -7.116 0.458
9 HA ILE 2 HA ILE 2 -0.152 -8.008 3.117
10 HB ILE 2 HB ILE 2 1.856 -5.808 2.609
11 HG12 ILE 2 HG12 ILE 2 2.357 -8.599 3.674
12 HG13 ILE 2 HG13 ILE 2 2.775 -8.052 2.053
13 HG21 ILE 2 HG21 ILE 2 0.928 -7.138 5.151
14 HG22 ILE 2 HG22 ILE 2 0.535 -5.502 4.625
15 HG23 ILE 2 HG23 ILE 2 2.198 -5.921 5.040
16 HD11 ILE 2 HD11 ILE 2 4.296 -6.395 3.016
17 HD12 ILE 2 HD12 ILE 2 4.717 -8.037 3.494
18 HD13 ILE 2 HD13 ILE 2 3.890 -6.973 4.630
19 H GLU 3 H GLU 3 -2.280 -7.329 2.828
20 HA GLU 3 HA GLU 3 -2.925 -4.659 2.065
21 HB2 GLU 3 HB2 GLU 3 -4.589 -6.679 3.578
22 HB3 GLU 3 HB3 GLU 3 -5.190 -5.173 2.901
23 HG2 GLU 3 HG2 GLU 3 -5.815 -6.642 1.274
24 HG3 GLU 3 HG3 GLU 3 -4.236 -6.153 0.671
25 H THR 4 H THR 4 -2.490 -2.939 3.221
26 HA THR 4 HA THR 4 -2.287 -3.162 6.145
27 HB THR 4 HB THR 4 -1.036 -1.007 5.999
28 HG1 THR 4 HG1 THR 4 -0.612 -1.321 3.271
29 HG21 THR 4 HG21 THR 4 0.175 -3.137 6.048
30 HG22 THR 4 HG22 THR 4 1.018 -1.950 5.051
31 HG23 THR 4 HG23 THR 4 0.078 -3.236 4.290
32 H ASN 5 H ASN 5 -3.114 -1.341 7.410
33 HA ASN 5 HA ASN 5 -5.691 -0.492 6.371
34 HB2 ASN 5 HB2 ASN 5 -5.297 -1.431 8.727
35 HB3 ASN 5 HB3 ASN 5 -4.582 0.133 9.106
36 HD21 ASN 5 HD21 ASN 5 -7.500 -1.553 8.237
37 HD22 ASN 5 HD22 ASN 5 -8.599 -0.299 8.708
38 H LYS 6 H LYS 6 -3.926 0.690 4.877
39 HA LYS 6 HA LYS 6 -3.886 3.478 5.811
40 HB2 LYS 6 HB2 LYS 6 -1.742 1.971 4.309
41 HB3 LYS 6 HB3 LYS 6 -1.788 3.728 4.404
42 HG2 LYS 6 HG2 LYS 6 -1.597 3.632 6.814
43 HG3 LYS 6 HG3 LYS 6 -1.634 1.870 6.766
44 HD2 LYS 6 HD2 LYS 6 0.456 1.815 5.567
45 HD3 LYS 6 HD3 LYS 6 0.469 3.576 5.438
46 HE2 LYS 6 HE2 LYS 6 0.675 3.792 7.830
47 HE3 LYS 6 HE3 LYS 6 0.517 2.049 8.036
48 HZ1 LYS 6 HZ1 LYS 6 2.806 2.810 8.137
49 HZ2 LYS 6 HZ2 LYS 6 2.716 3.361 6.611
50 HZ3 LYS 6 HZ3 LYS 6 2.582 1.770 6.905
51 H LYS 7 H LYS 7 -3.953 5.058 4.081
52 HA LYS 7 HA LYS 7 -5.840 4.224 2.044
53 HB2 LYS 7 HB2 LYS 7 -4.717 6.960 2.679
54 HB3 LYS 7 HB3 LYS 7 -6.122 6.617 1.680
55 HG2 LYS 7 HG2 LYS 7 -7.451 6.101 3.472
56 HG3 LYS 7 HG3 LYS 7 -6.082 5.640 4.487
57 HD2 LYS 7 HD2 LYS 7 -5.404 8.014 4.560
58 HD3 LYS 7 HD3 LYS 7 -6.875 8.430 3.675
59 HE2 LYS 7 HE2 LYS 7 -7.198 8.782 6.053
60 HE3 LYS 7 HE3 LYS 7 -8.214 7.456 5.491
61 HZ1 LYS 7 HZ1 LYS 7 -6.573 5.932 6.358
62 HZ2 LYS 7 HZ2 LYS 7 -7.116 6.903 7.540
63 HZ3 LYS 7 HZ3 LYS 7 -5.651 7.163 6.892
64 H CYS 8 H CYS 8 -5.559 4.525 -0.175
65 HA CYS 8 HA CYS 8 -2.794 4.327 -1.059
66 HB2 CYS 8 HB2 CYS 8 -3.771 3.664 -3.216
67 HB3 CYS 8 HB3 CYS 8 -4.419 2.695 -1.899
68 H GLN 9 H GLN 9 -2.313 5.397 -3.222
69 HA GLN 9 HA GLN 9 -2.949 8.239 -2.995
70 HB2 GLN 9 HB2 GLN 9 -0.754 6.653 -4.253
71 HB3 GLN 9 HB3 GLN 9 -1.108 8.242 -4.907
72 HG2 GLN 9 HG2 GLN 9 0.656 8.454 -3.321
73 HG3 GLN 9 HG3 GLN 9 -0.791 9.183 -2.631
74 HE21 GLN 9 HE21 GLN 9 -0.097 8.972 -0.542
75 HE22 GLN 9 HE22 GLN 9 0.001 7.446 0.263
76 H GLY 10 H GLY 10 -4.858 6.275 -4.091
77 HA2 GLY 10 HA2 GLY 10 -6.487 6.534 -5.749
78 HA3 GLY 10 HA3 GLY 10 -5.419 7.648 -6.592
79 H GLY 11 H GLY 11 -6.285 4.317 -6.091
80 HA2 GLY 11 HA2 GLY 11 -6.203 2.667 -7.751
81 HA3 GLY 11 HA3 GLY 11 -5.083 3.666 -8.662
82 H SER 12 H SER 12 -3.095 4.110 -6.806
83 HA SER 12 HA SER 12 -2.141 1.391 -6.234
84 HB2 SER 12 HB2 SER 12 -0.538 3.625 -7.483
85 HB3 SER 12 HB3 SER 12 0.092 2.048 -7.007
86 HG SER 12 HG SER 12 -1.408 2.771 -9.206
87 H CYS 13 H CYS 13 -0.079 1.492 -4.903
88 HA CYS 13 HA CYS 13 -0.165 3.628 -2.898
89 HB2 CYS 13 HB2 CYS 13 -1.572 1.715 -2.127
90 HB3 CYS 13 HB3 CYS 13 -0.161 0.672 -2.244
91 H ALA 14 H ALA 14 1.610 3.267 -4.998
92 HA ALA 14 HA ALA 14 3.844 1.662 -4.521
93 HB1 ALA 14 HB1 ALA 14 3.337 2.688 -6.684
94 HB2 ALA 14 HB2 ALA 14 4.983 3.050 -6.164
95 HB3 ALA 14 HB3 ALA 14 3.723 4.275 -6.021
96 H SER 15 H SER 15 3.257 5.053 -3.624
97 HA SER 15 HA SER 15 5.905 5.450 -2.657
98 HB2 SER 15 HB2 SER 15 4.871 7.575 -1.697
99 HB3 SER 15 HB3 SER 15 4.779 7.368 -3.446
100 HG SER 15 HG SER 15 2.795 8.033 -2.289
101 H VAL 16 H VAL 16 2.820 4.711 -1.080
102 HA VAL 16 HA VAL 16 3.723 5.008 1.575
103 HB VAL 16 HB VAL 16 1.488 3.310 0.456
104 HG11 VAL 16 HG11 VAL 16 2.258 2.437 2.635
105 HG12 VAL 16 HG12 VAL 16 0.623 3.097 2.702
106 HG13 VAL 16 HG13 VAL 16 1.980 4.027 3.346
107 HG21 VAL 16 HG21 VAL 16 0.055 5.101 1.345
108 HG22 VAL 16 HG22 VAL 16 1.178 5.686 0.115
109 HG23 VAL 16 HG23 VAL 16 1.499 5.997 1.822
110 H CYS 17 H CYS 17 3.289 2.042 -0.368
111 HA CYS 17 HA CYS 17 4.445 0.273 1.443
112 HB2 CYS 17 HB2 CYS 17 4.321 0.171 -1.571
113 HB3 CYS 17 HB3 CYS 17 4.813 -1.182 -0.557
114 H ARG 18 H ARG 18 5.954 2.358 -0.943
115 HA ARG 18 HA ARG 18 8.540 1.242 -0.861
116 HB2 ARG 18 HB2 ARG 18 7.765 2.803 -2.606
117 HB3 ARG 18 HB3 ARG 18 7.712 4.098 -1.420
118 HG2 ARG 18 HG2 ARG 18 10.135 3.897 -1.107
119 HG3 ARG 18 HG3 ARG 18 10.176 2.626 -2.333
120 HD2 ARG 18 HD2 ARG 18 10.810 4.781 -3.281
121 HD3 ARG 18 HD3 ARG 18 9.308 4.191 -3.990
122 HE ARG 18 HE ARG 18 9.133 6.075 -1.761
123 HH11 ARG 18 HH11 ARG 18 8.820 5.458 -5.194
124 HH12 ARG 18 HH12 ARG 18 7.904 6.898 -5.497
125 HH21 ARG 18 HH21 ARG 18 7.936 7.969 -2.156
126 HH22 ARG 18 HH22 ARG 18 7.421 8.345 -3.770
127 H LYS 19 H LYS 19 6.851 3.447 1.237
128 HA LYS 19 HA LYS 19 9.250 4.166 2.698
129 HB2 LYS 19 HB2 LYS 19 7.365 5.773 2.327
130 HB3 LYS 19 HB3 LYS 19 6.360 4.765 3.356
131 HG2 LYS 19 HG2 LYS 19 7.923 5.156 5.220
132 HG3 LYS 19 HG3 LYS 19 8.858 6.231 4.178
133 HD2 LYS 19 HD2 LYS 19 6.852 7.641 3.894
134 HD3 LYS 19 HD3 LYS 19 5.980 6.587 5.009
135 HE2 LYS 19 HE2 LYS 19 8.442 8.207 5.654
136 HE3 LYS 19 HE3 LYS 19 6.792 8.597 6.135
137 HZ1 LYS 19 HZ1 LYS 19 8.330 6.250 6.988
138 HZ2 LYS 19 HZ2 LYS 19 6.777 6.523 7.384
139 HZ3 LYS 19 HZ3 LYS 19 7.938 7.531 7.912
140 H VAL 20 H VAL 20 6.378 2.158 3.105
141 HA VAL 20 HA VAL 20 6.888 1.429 5.796
142 HB VAL 20 HB VAL 20 5.270 -0.081 3.736
143 HG11 VAL 20 HG11 VAL 20 5.850 -1.454 5.670
144 HG12 VAL 20 HG12 VAL 20 4.129 -1.068 5.662
145 HG13 VAL 20 HG13 VAL 20 5.220 -0.211 6.750
146 HG21 VAL 20 HG21 VAL 20 3.335 1.057 4.700
147 HG22 VAL 20 HG22 VAL 20 4.479 2.210 4.012
148 HG23 VAL 20 HG23 VAL 20 4.402 1.979 5.758
149 H ILE 21 H ILE 21 7.102 -0.658 2.889
150 HA ILE 21 HA ILE 21 8.952 -2.337 4.425
151 HB ILE 21 HB ILE 21 8.473 -4.110 2.764
152 HG12 ILE 21 HG12 ILE 21 6.366 -2.183 1.757
153 HG13 ILE 21 HG13 ILE 21 7.820 -2.648 0.880
154 HG21 ILE 21 HG21 ILE 21 6.243 -4.630 3.605
155 HG22 ILE 21 HG22 ILE 21 6.047 -2.961 4.137
156 HG23 ILE 21 HG23 ILE 21 7.271 -3.986 4.887
157 HD11 ILE 21 HD11 ILE 21 5.890 -3.855 0.061
158 HD12 ILE 21 HD12 ILE 21 5.568 -4.476 1.679
159 HD13 ILE 21 HD13 ILE 21 7.031 -4.961 0.822
160 H GLY 22 H GLY 22 8.690 -0.536 1.407
161 HA2 GLY 22 HA2 GLY 22 11.028 0.403 0.947
162 HA3 GLY 22 HA3 GLY 22 11.486 -1.287 0.834
163 H VAL 23 H VAL 23 9.205 -2.221 -0.592
164 HA VAL 23 HA VAL 23 10.104 -1.455 -3.217
165 HB VAL 23 HB VAL 23 8.622 -3.158 -4.090
166 HG11 VAL 23 HG11 VAL 23 10.747 -3.925 -3.241
167 HG12 VAL 23 HG12 VAL 23 9.504 -5.134 -2.919
168 HG13 VAL 23 HG13 VAL 23 10.072 -4.086 -1.621
169 HG21 VAL 23 HG21 VAL 23 7.153 -4.472 -2.663
170 HG22 VAL 23 HG22 VAL 23 6.708 -2.766 -2.628
171 HG23 VAL 23 HG23 VAL 23 7.591 -3.476 -1.276
172 H ALA 24 H ALA 24 8.863 -0.546 -4.862
173 HA ALA 24 HA ALA 24 6.688 1.148 -3.889
174 HB1 ALA 24 HB1 ALA 24 8.550 2.241 -5.074
175 HB2 ALA 24 HB2 ALA 24 7.013 2.459 -5.911
176 HB3 ALA 24 HB3 ALA 24 8.183 1.285 -6.509
177 H ALA 25 H ALA 25 6.327 -1.666 -4.320
178 HA ALA 25 HA ALA 25 4.383 -1.629 -6.518
179 HB1 ALA 25 HB1 ALA 25 4.407 -4.062 -6.396
180 HB2 ALA 25 HB2 ALA 25 5.542 -3.996 -5.050
181 HB3 ALA 25 HB3 ALA 25 6.036 -3.432 -6.647
182 H GLY 26 H GLY 26 2.434 -1.103 -5.861
183 HA2 GLY 26 HA2 GLY 26 1.177 -2.412 -3.640
184 HA3 GLY 26 HA3 GLY 26 1.550 -0.725 -3.309
185 H LYS 27 H LYS 27 -1.013 -2.240 -3.692
186 HA LYS 27 HA LYS 27 -2.126 -0.571 -5.856
187 HB2 LYS 27 HB2 LYS 27 -2.870 -3.407 -5.120
188 HB3 LYS 27 HB3 LYS 27 -3.790 -2.400 -6.228
189 HG2 LYS 27 HG2 LYS 27 -1.873 -2.268 -7.723
190 HG3 LYS 27 HG3 LYS 27 -0.924 -3.246 -6.604
191 HD2 LYS 27 HD2 LYS 27 -1.753 -4.621 -8.420
192 HD3 LYS 27 HD3 LYS 27 -2.513 -5.099 -6.902
193 HE2 LYS 27 HE2 LYS 27 -4.132 -5.037 -8.731
194 HE3 LYS 27 HE3 LYS 27 -4.516 -3.841 -7.496
195 HZ1 LYS 27 HZ1 LYS 27 -3.582 -2.163 -8.892
196 HZ2 LYS 27 HZ2 LYS 27 -4.704 -2.975 -9.742
197 HZ3 LYS 27 HZ3 LYS 27 -3.124 -3.253 -10.013
198 H CYS 28 H CYS 28 -4.640 -0.567 -5.591
199 HA CYS 28 HA CYS 28 -5.154 0.094 -2.769
200 HB2 CYS 28 HB2 CYS 28 -5.056 2.022 -4.387
201 HB3 CYS 28 HB3 CYS 28 -6.480 1.349 -5.171
202 H ILE 29 H ILE 29 -6.345 -1.446 -1.904
203 HA ILE 29 HA ILE 29 -8.543 -2.611 -3.477
204 HB ILE 29 HB ILE 29 -7.150 -3.667 -1.009
205 HG12 ILE 29 HG12 ILE 29 -7.276 -4.727 -3.842
206 HG13 ILE 29 HG13 ILE 29 -5.888 -3.928 -3.113
207 HG21 ILE 29 HG21 ILE 29 -9.463 -4.849 -2.542
208 HG22 ILE 29 HG22 ILE 29 -9.520 -4.193 -0.907
209 HG23 ILE 29 HG23 ILE 29 -8.580 -5.648 -1.242
210 HD11 ILE 29 HD11 ILE 29 -7.085 -6.541 -2.220
211 HD12 ILE 29 HD12 ILE 29 -5.686 -5.744 -1.500
212 HD13 ILE 29 HD13 ILE 29 -5.606 -6.339 -3.159
213 H ASN 30 H ASN 30 -10.344 -1.474 -3.125
214 HA ASN 30 HA ASN 30 -12.097 -0.482 -2.106
215 HB2 ASN 30 HB2 ASN 30 -11.257 -2.247 0.200
216 HB3 ASN 30 HB3 ASN 30 -12.803 -1.429 0.049
217 HD21 ASN 30 HD21 ASN 30 -12.130 -4.286 0.223
218 HD22 ASN 30 HD22 ASN 30 -12.852 -5.013 -1.161
219 H GLY 31 H GLY 31 -9.742 1.015 -2.056
220 HA2 GLY 31 HA2 GLY 31 -9.225 3.102 -1.183
221 HA3 GLY 31 HA3 GLY 31 -10.374 2.813 0.115
222 H ARG 32 H ARG 32 -8.459 0.144 -0.021
223 HA ARG 32 HA ARG 32 -6.700 1.195 2.088
224 HB2 ARG 32 HB2 ARG 32 -7.507 -1.657 1.487
225 HB3 ARG 32 HB3 ARG 32 -6.438 -1.162 2.788
226 HG2 ARG 32 HG2 ARG 32 -9.338 -0.392 2.520
227 HG3 ARG 32 HG3 ARG 32 -8.699 -1.651 3.576
228 HD2 ARG 32 HD2 ARG 32 -8.967 0.193 4.984
229 HD3 ARG 32 HD3 ARG 32 -7.250 0.198 4.593
230 HE ARG 32 HE ARG 32 -8.102 1.870 2.762
231 HH11 ARG 32 HH11 ARG 32 -9.139 1.654 6.101
232 HH12 ARG 32 HH12 ARG 32 -9.478 3.351 6.228
233 HH21 ARG 32 HH21 ARG 32 -8.563 4.088 2.927
234 HH22 ARG 32 HH22 ARG 32 -9.156 4.731 4.427
235 H CYS 33 H CYS 33 -4.557 0.082 2.221
236 HA CYS 33 HA CYS 33 -3.371 0.116 -0.457
237 HB2 CYS 33 HB2 CYS 33 -2.431 1.791 0.949
238 HB3 CYS 33 HB3 CYS 33 -2.243 0.673 2.294
239 H VAL 34 H VAL 34 -2.517 -1.687 -1.292
240 HA VAL 34 HA VAL 34 -1.848 -3.861 0.573
241 HB VAL 34 HB VAL 34 -3.757 -4.584 -0.688
242 HG11 VAL 34 HG11 VAL 34 -2.210 -3.758 -3.123
243 HG12 VAL 34 HG12 VAL 34 -3.747 -3.116 -2.547
244 HG13 VAL 34 HG13 VAL 34 -3.659 -4.764 -3.169
245 HG21 VAL 34 HG21 VAL 34 -2.858 -6.565 -1.819
246 HG22 VAL 34 HG22 VAL 34 -2.067 -6.271 -0.271
247 HG23 VAL 34 HG23 VAL 34 -1.248 -5.847 -1.772
248 H CYS 35 H CYS 35 0.226 -4.167 0.701
249 HA CYS 35 HA CYS 35 1.983 -3.137 -1.365
250 HB2 CYS 35 HB2 CYS 35 2.539 -4.322 1.358
251 HB3 CYS 35 HB3 CYS 35 3.777 -3.689 0.275
252 H TYR 36 H TYR 36 3.341 -4.307 -2.619
253 HA TYR 36 HA TYR 36 3.102 -7.242 -2.445
254 HB2 TYR 36 HB2 TYR 36 3.220 -5.439 -4.860
255 HB3 TYR 36 HB3 TYR 36 3.587 -7.156 -4.960
256 HD1 TYR 36 HD1 TYR 36 1.876 -8.731 -5.178
257 HD2 TYR 36 HD2 TYR 36 0.902 -4.758 -4.011
258 HE1 TYR 36 HE1 TYR 36 -0.510 -9.245 -5.441
259 HE2 TYR 36 HE2 TYR 36 -1.485 -5.263 -4.267
260 HH TYR 36 HH TYR 36 -2.920 -6.850 -5.483
261 HA PRO 37 HA PRO 37 7.501 -6.209 -1.637
262 HB2 PRO 37 HB2 PRO 37 7.983 -8.530 -0.264
263 HB3 PRO 37 HB3 PRO 37 7.385 -7.042 0.474
264 HG2 PRO 37 HG2 PRO 37 5.893 -9.493 -0.329
265 HG3 PRO 37 HG3 PRO 37 5.663 -8.441 1.077
266 HD2 PRO 37 HD2 PRO 37 4.069 -8.355 -1.116
267 HD3 PRO 37 HD3 PRO 37 4.389 -6.940 -0.095
Start of MODEL 6
1 H PCA 1 H PCA 1 0.002 -11.116 0.422
2 HA PCA 1 HA PCA 1 1.519 -9.200 -0.689
3 HB2 PCA 1 HB2 PCA 1 0.253 -8.309 -2.325
4 HB3 PCA 1 HB3 PCA 1 -1.001 -7.971 -1.125
5 HG2 PCA 1 HG2 PCA 1 -1.056 -9.966 -3.177
6 HG3 PCA 1 HG3 PCA 1 -2.254 -9.717 -1.877
7 HT2 PCA 1 HT2 PCA 1 1.138 -11.276 -0.678
8 H ILE 2 H ILE 2 1.578 -7.451 0.746
9 HA ILE 2 HA ILE 2 0.269 -8.037 3.277
10 HB ILE 2 HB ILE 2 2.335 -5.921 2.665
11 HG12 ILE 2 HG12 ILE 2 2.642 -8.667 3.907
12 HG13 ILE 2 HG13 ILE 2 3.187 -8.207 2.298
13 HG21 ILE 2 HG21 ILE 2 2.614 -5.824 5.094
14 HG22 ILE 2 HG22 ILE 2 1.326 -7.013 5.289
15 HG23 ILE 2 HG23 ILE 2 0.961 -5.423 4.622
16 HD11 ILE 2 HD11 ILE 2 4.205 -7.069 4.890
17 HD12 ILE 2 HD12 ILE 2 4.761 -6.630 3.275
18 HD13 ILE 2 HD13 ILE 2 5.025 -8.264 3.884
19 H GLU 3 H GLU 3 -1.828 -7.438 2.822
20 HA GLU 3 HA GLU 3 -2.610 -4.821 2.066
21 HB2 GLU 3 HB2 GLU 3 -4.094 -6.995 3.555
22 HB3 GLU 3 HB3 GLU 3 -4.836 -5.528 2.928
23 HG2 GLU 3 HG2 GLU 3 -4.427 -6.170 0.688
24 HG3 GLU 3 HG3 GLU 3 -3.370 -7.487 1.187
25 H THR 4 H THR 4 -2.885 -3.030 3.263
26 HA THR 4 HA THR 4 -2.618 -3.256 6.186
27 HB THR 4 HB THR 4 -1.354 -1.116 6.170
28 HG1 THR 4 HG1 THR 4 -0.793 -1.437 3.442
29 HG21 THR 4 HG21 THR 4 0.778 -2.031 5.372
30 HG22 THR 4 HG22 THR 4 -0.091 -3.317 4.533
31 HG23 THR 4 HG23 THR 4 -0.132 -3.228 6.294
32 H ASN 5 H ASN 5 -3.350 -1.174 7.269
33 HA ASN 5 HA ASN 5 -5.991 -0.552 6.240
34 HB2 ASN 5 HB2 ASN 5 -5.648 -1.145 8.627
35 HB3 ASN 5 HB3 ASN 5 -4.658 0.294 8.826
36 HD21 ASN 5 HD21 ASN 5 -7.888 -0.905 8.268
37 HD22 ASN 5 HD22 ASN 5 -8.710 0.547 8.724
38 H LYS 6 H LYS 6 -2.982 0.671 5.802
39 HA LYS 6 HA LYS 6 -3.373 3.454 6.057
40 HB2 LYS 6 HB2 LYS 6 -1.438 1.896 4.340
41 HB3 LYS 6 HB3 LYS 6 -1.381 3.640 4.572
42 HG2 LYS 6 HG2 LYS 6 -1.190 3.183 7.045
43 HG3 LYS 6 HG3 LYS 6 -0.951 1.489 6.624
44 HD2 LYS 6 HD2 LYS 6 1.198 2.468 6.918
45 HD3 LYS 6 HD3 LYS 6 0.967 2.204 5.191
46 HE2 LYS 6 HE2 LYS 6 1.980 4.385 5.633
47 HE3 LYS 6 HE3 LYS 6 0.392 4.553 4.892
48 HZ1 LYS 6 HZ1 LYS 6 0.870 4.779 7.773
49 HZ2 LYS 6 HZ2 LYS 6 -0.510 5.124 6.986
50 HZ3 LYS 6 HZ3 LYS 6 0.803 6.057 6.769
51 H LYS 7 H LYS 7 -3.649 5.018 4.411
52 HA LYS 7 HA LYS 7 -5.709 4.162 2.556
53 HB2 LYS 7 HB2 LYS 7 -4.766 6.964 3.185
54 HB3 LYS 7 HB3 LYS 7 -6.261 6.510 2.378
55 HG2 LYS 7 HG2 LYS 7 -5.527 6.020 5.258
56 HG3 LYS 7 HG3 LYS 7 -6.770 7.109 4.637
57 HD2 LYS 7 HD2 LYS 7 -8.012 5.192 3.760
58 HD3 LYS 7 HD3 LYS 7 -6.758 4.104 4.354
59 HE2 LYS 7 HE2 LYS 7 -8.410 5.925 6.099
60 HE3 LYS 7 HE3 LYS 7 -8.765 4.223 5.818
61 HZ1 LYS 7 HZ1 LYS 7 -7.561 4.502 7.841
62 HZ2 LYS 7 HZ2 LYS 7 -6.353 5.291 7.100
63 HZ3 LYS 7 HZ3 LYS 7 -6.601 3.716 6.783
64 H CYS 8 H CYS 8 -5.705 4.551 0.374
65 HA CYS 8 HA CYS 8 -3.226 4.056 -0.897
66 HB2 CYS 8 HB2 CYS 8 -5.749 4.884 -2.304
67 HB3 CYS 8 HB3 CYS 8 -4.484 3.803 -2.875
68 H GLN 9 H GLN 9 -2.591 5.264 -2.944
69 HA GLN 9 HA GLN 9 -2.694 8.173 -2.453
70 HB2 GLN 9 HB2 GLN 9 -0.335 6.461 -3.249
71 HB3 GLN 9 HB3 GLN 9 -0.335 8.216 -3.355
72 HG2 GLN 9 HG2 GLN 9 -0.799 6.678 -0.812
73 HG3 GLN 9 HG3 GLN 9 0.768 7.300 -1.330
74 HE21 GLN 9 HE21 GLN 9 -2.414 8.139 -0.195
75 HE22 GLN 9 HE22 GLN 9 -2.038 9.772 0.236
76 H GLY 10 H GLY 10 -4.559 7.605 -4.055
77 HA2 GLY 10 HA2 GLY 10 -5.235 8.459 -6.127
78 HA3 GLY 10 HA3 GLY 10 -3.563 8.436 -6.664
79 H GLY 11 H GLY 11 -5.405 5.773 -5.263
80 HA2 GLY 11 HA2 GLY 11 -6.401 3.969 -6.405
81 HA3 GLY 11 HA3 GLY 11 -5.626 4.507 -7.886
82 H SER 12 H SER 12 -3.227 4.698 -5.771
83 HA SER 12 HA SER 12 -2.486 1.863 -5.933
84 HB2 SER 12 HB2 SER 12 -0.226 2.505 -6.635
85 HB3 SER 12 HB3 SER 12 -1.429 3.065 -7.793
86 HG SER 12 HG SER 12 -0.398 4.889 -7.524
87 H CYS 13 H CYS 13 -0.180 1.755 -4.718
88 HA CYS 13 HA CYS 13 -0.176 3.524 -2.399
89 HB2 CYS 13 HB2 CYS 13 -1.495 1.454 -1.831
90 HB3 CYS 13 HB3 CYS 13 -0.028 0.519 -2.107
91 H ALA 14 H ALA 14 1.459 3.249 -4.775
92 HA ALA 14 HA ALA 14 3.790 1.751 -4.368
93 HB1 ALA 14 HB1 ALA 14 3.129 2.693 -6.536
94 HB2 ALA 14 HB2 ALA 14 4.784 3.122 -6.107
95 HB3 ALA 14 HB3 ALA 14 3.494 4.309 -5.937
96 H SER 15 H SER 15 3.086 5.149 -3.614
97 HA SER 15 HA SER 15 5.679 5.725 -2.622
98 HB2 SER 15 HB2 SER 15 3.082 7.166 -2.044
99 HB3 SER 15 HB3 SER 15 4.710 7.820 -1.859
100 HG SER 15 HG SER 15 4.727 7.039 -4.280
101 H VAL 16 H VAL 16 2.693 4.664 -1.075
102 HA VAL 16 HA VAL 16 3.609 5.028 1.594
103 HB VAL 16 HB VAL 16 1.365 3.363 0.452
104 HG11 VAL 16 HG11 VAL 16 2.201 2.379 2.567
105 HG12 VAL 16 HG12 VAL 16 0.552 2.994 2.690
106 HG13 VAL 16 HG13 VAL 16 1.895 3.921 3.368
107 HG21 VAL 16 HG21 VAL 16 1.079 5.773 0.266
108 HG22 VAL 16 HG22 VAL 16 1.376 5.954 1.994
109 HG23 VAL 16 HG23 VAL 16 -0.059 5.095 1.431
110 H CYS 17 H CYS 17 3.268 2.141 -0.466
111 HA CYS 17 HA CYS 17 4.385 0.322 1.330
112 HB2 CYS 17 HB2 CYS 17 4.253 0.305 -1.681
113 HB3 CYS 17 HB3 CYS 17 4.812 -1.064 -0.726
114 H ARG 18 H ARG 18 5.943 2.541 -0.909
115 HA ARG 18 HA ARG 18 8.509 1.370 -0.832
116 HB2 ARG 18 HB2 ARG 18 7.762 3.138 -2.451
117 HB3 ARG 18 HB3 ARG 18 7.892 4.312 -1.149
118 HG2 ARG 18 HG2 ARG 18 10.280 3.780 -0.928
119 HG3 ARG 18 HG3 ARG 18 10.137 2.651 -2.276
120 HD2 ARG 18 HD2 ARG 18 11.027 4.702 -3.118
121 HD3 ARG 18 HD3 ARG 18 9.369 4.551 -3.694
122 HE ARG 18 HE ARG 18 9.240 6.010 -1.349
123 HH11 ARG 18 HH11 ARG 18 10.750 6.337 -4.486
124 HH12 ARG 18 HH12 ARG 18 10.698 8.070 -4.477
125 HH21 ARG 18 HH21 ARG 18 9.175 8.291 -1.319
126 HH22 ARG 18 HH22 ARG 18 9.805 9.191 -2.662
127 H LYS 19 H LYS 19 6.748 3.319 1.407
128 HA LYS 19 HA LYS 19 9.070 3.897 3.034
129 HB2 LYS 19 HB2 LYS 19 7.222 5.518 2.894
130 HB3 LYS 19 HB3 LYS 19 6.122 4.325 3.572
131 HG2 LYS 19 HG2 LYS 19 6.811 5.942 5.246
132 HG3 LYS 19 HG3 LYS 19 7.389 4.325 5.654
133 HD2 LYS 19 HD2 LYS 19 9.593 4.888 4.783
134 HD3 LYS 19 HD3 LYS 19 9.015 6.492 4.332
135 HE2 LYS 19 HE2 LYS 19 8.539 6.966 6.688
136 HE3 LYS 19 HE3 LYS 19 9.150 5.371 7.124
137 HZ1 LYS 19 HZ1 LYS 19 10.707 7.527 5.890
138 HZ2 LYS 19 HZ2 LYS 19 11.281 6.045 6.219
139 HZ3 LYS 19 HZ3 LYS 19 10.826 7.024 7.433
140 H VAL 20 H VAL 20 6.213 1.818 3.150
141 HA VAL 20 HA VAL 20 6.740 0.753 5.724
142 HB VAL 20 HB VAL 20 5.040 -0.419 3.517
143 HG11 VAL 20 HG11 VAL 20 5.034 -0.951 6.488
144 HG12 VAL 20 HG12 VAL 20 5.584 -2.061 5.233
145 HG13 VAL 20 HG13 VAL 20 3.883 -1.605 5.323
146 HG21 VAL 20 HG21 VAL 20 4.291 1.411 5.798
147 HG22 VAL 20 HG22 VAL 20 3.162 0.661 4.670
148 HG23 VAL 20 HG23 VAL 20 4.337 1.841 4.088
149 H ILE 21 H ILE 21 6.867 -0.963 2.576
150 HA ILE 21 HA ILE 21 8.615 -2.932 3.841
151 HB ILE 21 HB ILE 21 8.267 -4.290 1.790
152 HG12 ILE 21 HG12 ILE 21 6.206 -2.198 1.064
153 HG13 ILE 21 HG13 ILE 21 7.781 -2.331 0.293
154 HG21 ILE 21 HG21 ILE 21 6.885 -4.629 3.759
155 HG22 ILE 21 HG22 ILE 21 5.941 -4.882 2.291
156 HG23 ILE 21 HG23 ILE 21 5.763 -3.385 3.205
157 HD11 ILE 21 HD11 ILE 21 5.957 -3.359 -1.004
158 HD12 ILE 21 HD12 ILE 21 5.708 -4.506 0.314
159 HD13 ILE 21 HD13 ILE 21 7.231 -4.498 -0.571
160 H GLY 22 H GLY 22 8.737 -0.348 1.560
161 HA2 GLY 22 HA2 GLY 22 10.822 0.670 1.013
162 HA3 GLY 22 HA3 GLY 22 11.606 -0.884 1.229
163 H VAL 23 H VAL 23 8.743 -1.163 -0.500
164 HA VAL 23 HA VAL 23 10.160 -0.930 -3.070
165 HB VAL 23 HB VAL 23 7.988 -2.948 -2.661
166 HG11 VAL 23 HG11 VAL 23 10.292 -2.803 -4.583
167 HG12 VAL 23 HG12 VAL 23 8.620 -2.368 -4.931
168 HG13 VAL 23 HG13 VAL 23 9.036 -4.041 -4.562
169 HG21 VAL 23 HG21 VAL 23 9.678 -4.687 -2.266
170 HG22 VAL 23 HG22 VAL 23 9.650 -3.495 -0.966
171 HG23 VAL 23 HG23 VAL 23 10.925 -3.442 -2.184
172 H ALA 24 H ALA 24 8.878 -0.244 -4.807
173 HA ALA 24 HA ALA 24 6.589 1.337 -3.921
174 HB1 ALA 24 HB1 ALA 24 8.111 1.485 -6.523
175 HB2 ALA 24 HB2 ALA 24 8.401 2.499 -5.109
176 HB3 ALA 24 HB3 ALA 24 6.868 2.607 -5.973
177 H ALA 25 H ALA 25 6.238 -1.419 -4.149
178 HA ALA 25 HA ALA 25 4.374 -1.586 -6.413
179 HB1 ALA 25 HB1 ALA 25 4.482 -4.007 -6.168
180 HB2 ALA 25 HB2 ALA 25 5.595 -3.830 -4.813
181 HB3 ALA 25 HB3 ALA 25 6.088 -3.330 -6.430
182 H GLY 26 H GLY 26 2.413 -1.047 -5.791
183 HA2 GLY 26 HA2 GLY 26 1.128 -2.298 -3.568
184 HA3 GLY 26 HA3 GLY 26 1.537 -0.622 -3.229
185 H LYS 27 H LYS 27 -1.047 -2.121 -3.658
186 HA LYS 27 HA LYS 27 -2.142 -0.377 -5.773
187 HB2 LYS 27 HB2 LYS 27 -2.852 -3.244 -5.147
188 HB3 LYS 27 HB3 LYS 27 -3.797 -2.212 -6.210
189 HG2 LYS 27 HG2 LYS 27 -1.871 -1.965 -7.689
190 HG3 LYS 27 HG3 LYS 27 -0.921 -3.000 -6.623
191 HD2 LYS 27 HD2 LYS 27 -3.423 -3.810 -8.103
192 HD3 LYS 27 HD3 LYS 27 -1.772 -4.235 -8.558
193 HE2 LYS 27 HE2 LYS 27 -1.553 -5.320 -6.298
194 HE3 LYS 27 HE3 LYS 27 -3.287 -5.077 -6.100
195 HZ1 LYS 27 HZ1 LYS 27 -2.049 -6.625 -8.261
196 HZ2 LYS 27 HZ2 LYS 27 -3.646 -6.436 -8.020
197 HZ3 LYS 27 HZ3 LYS 27 -2.757 -7.263 -6.938
198 H CYS 28 H CYS 28 -4.663 -0.431 -5.536
199 HA CYS 28 HA CYS 28 -5.224 0.154 -2.706
200 HB2 CYS 28 HB2 CYS 28 -5.243 2.104 -4.303
201 HB3 CYS 28 HB3 CYS 28 -6.617 1.348 -5.102
202 H ILE 29 H ILE 29 -6.470 -1.309 -1.800
203 HA ILE 29 HA ILE 29 -8.544 -2.621 -3.436
204 HB ILE 29 HB ILE 29 -7.215 -3.607 -0.906
205 HG12 ILE 29 HG12 ILE 29 -7.096 -4.675 -3.738
206 HG13 ILE 29 HG13 ILE 29 -5.813 -3.763 -2.947
207 HG21 ILE 29 HG21 ILE 29 -8.528 -5.655 -1.259
208 HG22 ILE 29 HG22 ILE 29 -9.350 -4.878 -2.613
209 HG23 ILE 29 HG23 ILE 29 -9.557 -4.248 -0.981
210 HD11 ILE 29 HD11 ILE 29 -6.858 -6.447 -2.075
211 HD12 ILE 29 HD12 ILE 29 -5.562 -5.536 -1.299
212 HD13 ILE 29 HD13 ILE 29 -5.351 -6.149 -2.940
213 H ASN 30 H ASN 30 -10.310 -1.419 -3.155
214 HA ASN 30 HA ASN 30 -12.057 -0.339 -2.216
215 HB2 ASN 30 HB2 ASN 30 -11.512 -2.337 -0.014
216 HB3 ASN 30 HB3 ASN 30 -12.976 -1.382 -0.171
217 HD21 ASN 30 HD21 ASN 30 -12.593 -4.285 -0.208
218 HD22 ASN 30 HD22 ASN 30 -13.269 -4.827 -1.695
219 H GLY 31 H GLY 31 -9.687 1.047 -1.893
220 HA2 GLY 31 HA2 GLY 31 -9.169 3.045 -0.833
221 HA3 GLY 31 HA3 GLY 31 -10.419 2.706 0.353
222 H ARG 32 H ARG 32 -8.360 0.070 -0.002
223 HA ARG 32 HA ARG 32 -6.725 0.967 2.278
224 HB2 ARG 32 HB2 ARG 32 -7.631 -1.856 1.672
225 HB3 ARG 32 HB3 ARG 32 -6.654 -1.353 3.046
226 HG2 ARG 32 HG2 ARG 32 -9.519 -0.594 2.503
227 HG3 ARG 32 HG3 ARG 32 -8.934 -1.701 3.746
228 HD2 ARG 32 HD2 ARG 32 -7.797 0.099 4.881
229 HD3 ARG 32 HD3 ARG 32 -8.211 1.222 3.589
230 HE ARG 32 HE ARG 32 -10.147 0.016 5.459
231 HH11 ARG 32 HH11 ARG 32 -9.189 2.586 3.273
232 HH12 ARG 32 HH12 ARG 32 -10.550 3.590 3.661
233 HH21 ARG 32 HH21 ARG 32 -11.934 1.331 5.961
234 HH22 ARG 32 HH22 ARG 32 -12.114 2.872 5.185
235 H CYS 33 H CYS 33 -4.583 0.194 2.367
236 HA CYS 33 HA CYS 33 -3.413 0.066 -0.276
237 HB2 CYS 33 HB2 CYS 33 -2.356 1.612 1.176
238 HB3 CYS 33 HB3 CYS 33 -2.268 0.447 2.492
239 H VAL 34 H VAL 34 -2.198 -1.593 -1.090
240 HA VAL 34 HA VAL 34 -1.711 -3.897 0.645
241 HB VAL 34 HB VAL 34 -3.636 -4.542 -0.662
242 HG11 VAL 34 HG11 VAL 34 -3.554 -4.668 -3.111
243 HG12 VAL 34 HG12 VAL 34 -2.009 -3.818 -3.080
244 HG13 VAL 34 HG13 VAL 34 -3.471 -3.013 -2.507
245 HG21 VAL 34 HG21 VAL 34 -1.129 -5.843 -1.695
246 HG22 VAL 34 HG22 VAL 34 -2.754 -6.525 -1.789
247 HG23 VAL 34 HG23 VAL 34 -1.997 -6.263 -0.217
248 H CYS 35 H CYS 35 0.356 -4.256 0.741
249 HA CYS 35 HA CYS 35 2.088 -3.129 -1.313
250 HB2 CYS 35 HB2 CYS 35 2.641 -4.154 1.471
251 HB3 CYS 35 HB3 CYS 35 3.884 -3.548 0.379
252 H TYR 36 H TYR 36 3.458 -4.253 -2.550
253 HA TYR 36 HA TYR 36 3.365 -7.195 -2.310
254 HB2 TYR 36 HB2 TYR 36 3.450 -5.403 -4.728
255 HB3 TYR 36 HB3 TYR 36 3.964 -7.083 -4.819
256 HD1 TYR 36 HD1 TYR 36 1.027 -5.081 -3.595
257 HD2 TYR 36 HD2 TYR 36 2.415 -8.636 -5.481
258 HE1 TYR 36 HE1 TYR 36 -1.294 -5.773 -3.991
259 HE2 TYR 36 HE2 TYR 36 0.099 -9.337 -5.878
260 HH TYR 36 HH TYR 36 -2.144 -8.921 -4.962
261 HA PRO 37 HA PRO 37 7.786 -6.284 -1.739
262 HB2 PRO 37 HB2 PRO 37 7.939 -8.622 -0.087
263 HB3 PRO 37 HB3 PRO 37 8.026 -6.934 0.412
264 HG2 PRO 37 HG2 PRO 37 5.961 -8.653 1.045
265 HG3 PRO 37 HG3 PRO 37 5.840 -6.888 1.044
266 HD2 PRO 37 HD2 PRO 37 4.946 -8.853 -1.021
267 HD3 PRO 37 HD3 PRO 37 4.174 -7.345 -0.483
Start of MODEL 7
1 H PCA 1 H PCA 1 0.940 -11.080 0.590
2 HA PCA 1 HA PCA 1 0.997 -8.988 -1.013
3 HB2 PCA 1 HB2 PCA 1 -0.840 -9.134 -2.327
4 HB3 PCA 1 HB3 PCA 1 -1.810 -8.984 -0.856
5 HG2 PCA 1 HG2 PCA 1 -1.493 -11.311 -2.492
6 HG3 PCA 1 HG3 PCA 1 -2.341 -11.200 -0.924
7 HT2 PCA 1 HT2 PCA 1 1.562 -11.021 -0.872
8 H ILE 2 H ILE 2 1.211 -7.427 0.486
9 HA ILE 2 HA ILE 2 0.201 -7.992 3.177
10 HB ILE 2 HB ILE 2 2.141 -5.844 2.318
11 HG12 ILE 2 HG12 ILE 2 2.721 -8.553 3.535
12 HG13 ILE 2 HG13 ILE 2 2.980 -8.135 1.845
13 HG21 ILE 2 HG21 ILE 2 2.715 -5.762 4.698
14 HG22 ILE 2 HG22 ILE 2 1.474 -6.971 5.033
15 HG23 ILE 2 HG23 ILE 2 1.014 -5.381 4.424
16 HD11 ILE 2 HD11 ILE 2 5.050 -8.070 3.120
17 HD12 ILE 2 HD12 ILE 2 4.355 -6.855 4.194
18 HD13 ILE 2 HD13 ILE 2 4.629 -6.477 2.494
19 H GLU 3 H GLU 3 -1.946 -7.351 3.062
20 HA GLU 3 HA GLU 3 -2.767 -4.793 2.123
21 HB2 GLU 3 HB2 GLU 3 -4.089 -6.807 3.939
22 HB3 GLU 3 HB3 GLU 3 -4.857 -5.303 3.456
23 HG2 GLU 3 HG2 GLU 3 -4.813 -5.966 1.145
24 HG3 GLU 3 HG3 GLU 3 -3.903 -7.421 1.548
25 H THR 4 H THR 4 -1.518 -3.219 3.065
26 HA THR 4 HA THR 4 -1.324 -2.976 5.933
27 HB THR 4 HB THR 4 -0.210 -0.802 5.421
28 HG1 THR 4 HG1 THR 4 -1.185 -1.419 2.888
29 HG21 THR 4 HG21 THR 4 1.124 -2.829 5.602
30 HG22 THR 4 HG22 THR 4 1.780 -1.775 4.349
31 HG23 THR 4 HG23 THR 4 0.832 -3.192 3.900
32 H ASN 5 H ASN 5 -2.260 -1.307 7.169
33 HA ASN 5 HA ASN 5 -4.893 -0.555 6.261
34 HB2 ASN 5 HB2 ASN 5 -4.378 -1.341 8.609
35 HB3 ASN 5 HB3 ASN 5 -3.563 0.197 8.870
36 HD21 ASN 5 HD21 ASN 5 -4.963 0.866 10.441
37 HD22 ASN 5 HD22 ASN 5 -6.593 1.322 10.101
38 H LYS 6 H LYS 6 -3.309 0.653 4.569
39 HA LYS 6 HA LYS 6 -3.072 3.445 5.474
40 HB2 LYS 6 HB2 LYS 6 -1.761 2.012 3.156
41 HB3 LYS 6 HB3 LYS 6 -1.614 3.737 3.462
42 HG2 LYS 6 HG2 LYS 6 -0.750 1.600 5.400
43 HG3 LYS 6 HG3 LYS 6 0.321 2.386 4.237
44 HD2 LYS 6 HD2 LYS 6 -0.153 4.553 5.252
45 HD3 LYS 6 HD3 LYS 6 -1.254 3.783 6.396
46 HE2 LYS 6 HE2 LYS 6 0.586 2.495 7.320
47 HE3 LYS 6 HE3 LYS 6 1.695 3.212 6.155
48 HZ1 LYS 6 HZ1 LYS 6 0.217 4.715 8.193
49 HZ2 LYS 6 HZ2 LYS 6 1.318 5.323 7.166
50 HZ3 LYS 6 HZ3 LYS 6 1.780 4.276 8.316
51 H LYS 7 H LYS 7 -4.094 5.073 4.349
52 HA LYS 7 HA LYS 7 -6.217 4.381 2.541
53 HB2 LYS 7 HB2 LYS 7 -5.053 7.081 3.280
54 HB3 LYS 7 HB3 LYS 7 -6.602 6.796 2.505
55 HG2 LYS 7 HG2 LYS 7 -7.580 5.998 4.436
56 HG3 LYS 7 HG3 LYS 7 -6.028 5.589 5.169
57 HD2 LYS 7 HD2 LYS 7 -6.948 7.524 6.271
58 HD3 LYS 7 HD3 LYS 7 -5.516 7.989 5.348
59 HE2 LYS 7 HE2 LYS 7 -6.954 8.812 3.545
60 HE3 LYS 7 HE3 LYS 7 -8.381 8.350 4.469
61 HZ1 LYS 7 HZ1 LYS 7 -6.399 10.354 5.283
62 HZ2 LYS 7 HZ2 LYS 7 -7.703 9.923 6.150
63 HZ3 LYS 7 HZ3 LYS 7 -7.894 10.670 4.722
64 H CYS 8 H CYS 8 -6.162 4.474 0.347
65 HA CYS 8 HA CYS 8 -3.747 4.290 -1.009
66 HB2 CYS 8 HB2 CYS 8 -6.236 5.235 -2.387
67 HB3 CYS 8 HB3 CYS 8 -4.980 4.160 -2.990
68 H GLN 9 H GLN 9 -2.534 5.663 -2.209
69 HA GLN 9 HA GLN 9 -2.742 8.447 -1.397
70 HB2 GLN 9 HB2 GLN 9 -0.632 6.883 -1.378
71 HB3 GLN 9 HB3 GLN 9 -0.529 7.323 -3.075
72 HG2 GLN 9 HG2 GLN 9 -0.318 9.647 -2.513
73 HG3 GLN 9 HG3 GLN 9 -0.589 9.294 -0.807
74 HE21 GLN 9 HE21 GLN 9 1.342 10.074 -0.103
75 HE22 GLN 9 HE22 GLN 9 2.859 9.329 -0.460
76 H GLY 10 H GLY 10 -4.771 8.167 -2.946
77 HA2 GLY 10 HA2 GLY 10 -5.525 9.517 -4.777
78 HA3 GLY 10 HA3 GLY 10 -3.963 9.282 -5.546
79 H GLY 11 H GLY 11 -3.453 6.994 -6.142
80 HA2 GLY 11 HA2 GLY 11 -5.884 5.486 -6.857
81 HA3 GLY 11 HA3 GLY 11 -4.640 5.804 -8.056
82 H SER 12 H SER 12 -2.484 5.460 -6.088
83 HA SER 12 HA SER 12 -2.664 2.576 -5.566
84 HB2 SER 12 HB2 SER 12 -0.189 3.922 -6.658
85 HB3 SER 12 HB3 SER 12 -0.508 2.193 -6.510
86 HG SER 12 HG SER 12 -2.408 2.869 -7.999
87 H CYS 13 H CYS 13 -0.524 1.993 -4.289
88 HA CYS 13 HA CYS 13 0.179 4.154 -2.437
89 HB2 CYS 13 HB2 CYS 13 -1.122 1.599 -1.799
90 HB3 CYS 13 HB3 CYS 13 0.294 1.953 -0.812
91 H ALA 14 H ALA 14 1.553 3.220 -4.716
92 HA ALA 14 HA ALA 14 3.587 1.366 -4.165
93 HB1 ALA 14 HB1 ALA 14 3.664 3.727 -6.041
94 HB2 ALA 14 HB2 ALA 14 3.029 2.126 -6.425
95 HB3 ALA 14 HB3 ALA 14 4.747 2.334 -6.078
96 H SER 15 H SER 15 3.576 4.917 -3.917
97 HA SER 15 HA SER 15 6.212 5.113 -2.882
98 HB2 SER 15 HB2 SER 15 3.962 7.100 -2.510
99 HB3 SER 15 HB3 SER 15 5.696 7.425 -2.507
100 HG SER 15 HG SER 15 5.436 6.386 -4.779
101 H VAL 16 H VAL 16 3.044 4.729 -1.469
102 HA VAL 16 HA VAL 16 3.671 5.216 1.227
103 HB VAL 16 HB VAL 16 1.561 3.488 -0.069
104 HG11 VAL 16 HG11 VAL 16 2.049 2.643 2.195
105 HG12 VAL 16 HG12 VAL 16 0.432 3.335 2.058
106 HG13 VAL 16 HG13 VAL 16 1.722 4.252 2.843
107 HG21 VAL 16 HG21 VAL 16 1.443 6.196 1.249
108 HG22 VAL 16 HG22 VAL 16 0.065 5.319 0.588
109 HG23 VAL 16 HG23 VAL 16 1.353 5.872 -0.482
110 H CYS 17 H CYS 17 3.449 2.155 -0.569
111 HA CYS 17 HA CYS 17 4.392 0.538 1.541
112 HB2 CYS 17 HB2 CYS 17 4.282 0.067 -1.438
113 HB3 CYS 17 HB3 CYS 17 4.665 -1.176 -0.249
114 H ARG 18 H ARG 18 6.019 2.447 -0.851
115 HA ARG 18 HA ARG 18 8.552 1.232 -0.748
116 HB2 ARG 18 HB2 ARG 18 7.904 2.925 -2.431
117 HB3 ARG 18 HB3 ARG 18 7.890 4.155 -1.175
118 HG2 ARG 18 HG2 ARG 18 10.282 3.789 -0.800
119 HG3 ARG 18 HG3 ARG 18 10.287 2.575 -2.078
120 HD2 ARG 18 HD2 ARG 18 9.554 4.294 -3.681
121 HD3 ARG 18 HD3 ARG 18 9.622 5.498 -2.394
122 HE ARG 18 HE ARG 18 12.098 4.118 -2.672
123 HH11 ARG 18 HH11 ARG 18 10.149 6.665 -4.075
124 HH12 ARG 18 HH12 ARG 18 11.505 7.498 -4.763
125 HH21 ARG 18 HH21 ARG 18 13.880 5.208 -3.594
126 HH22 ARG 18 HH22 ARG 18 13.627 6.668 -4.491
127 H LYS 19 H LYS 19 6.874 3.363 1.420
128 HA LYS 19 HA LYS 19 9.248 3.840 3.026
129 HB2 LYS 19 HB2 LYS 19 7.483 5.594 2.638
130 HB3 LYS 19 HB3 LYS 19 6.387 4.622 3.607
131 HG2 LYS 19 HG2 LYS 19 7.810 4.882 5.543
132 HG3 LYS 19 HG3 LYS 19 8.993 5.771 4.581
133 HD2 LYS 19 HD2 LYS 19 7.254 7.479 4.119
134 HD3 LYS 19 HD3 LYS 19 6.167 6.614 5.205
135 HE2 LYS 19 HE2 LYS 19 8.838 7.784 5.976
136 HE3 LYS 19 HE3 LYS 19 7.271 8.527 6.297
137 HZ1 LYS 19 HZ1 LYS 19 8.094 7.329 8.195
138 HZ2 LYS 19 HZ2 LYS 19 8.170 5.944 7.355
139 HZ3 LYS 19 HZ3 LYS 19 6.726 6.632 7.653
140 H VAL 20 H VAL 20 6.291 1.949 3.087
141 HA VAL 20 HA VAL 20 6.561 1.105 5.799
142 HB VAL 20 HB VAL 20 4.890 -0.122 3.598
143 HG11 VAL 20 HG11 VAL 20 5.237 -1.645 5.477
144 HG12 VAL 20 HG12 VAL 20 3.568 -1.079 5.422
145 HG13 VAL 20 HG13 VAL 20 4.693 -0.398 6.597
146 HG21 VAL 20 HG21 VAL 20 4.169 1.930 5.691
147 HG22 VAL 20 HG22 VAL 20 3.043 1.173 4.563
148 HG23 VAL 20 HG23 VAL 20 4.326 2.221 3.959
149 H ILE 21 H ILE 21 6.883 -0.753 2.738
150 HA ILE 21 HA ILE 21 8.430 -2.724 4.285
151 HB ILE 21 HB ILE 21 7.888 -4.372 2.579
152 HG12 ILE 21 HG12 ILE 21 6.097 -2.299 1.311
153 HG13 ILE 21 HG13 ILE 21 7.703 -2.684 0.701
154 HG21 ILE 21 HG21 ILE 21 5.469 -2.912 3.623
155 HG22 ILE 21 HG22 ILE 21 6.400 -4.143 4.478
156 HG23 ILE 21 HG23 ILE 21 5.486 -4.573 3.032
157 HD11 ILE 21 HD11 ILE 21 7.021 -4.970 0.285
158 HD12 ILE 21 HD12 ILE 21 5.939 -3.842 -0.532
159 HD13 ILE 21 HD13 ILE 21 5.427 -4.635 0.959
160 H GLY 22 H GLY 22 8.860 -0.273 2.072
161 HA2 GLY 22 HA2 GLY 22 10.938 0.440 1.287
162 HA3 GLY 22 HA3 GLY 22 11.598 -1.143 1.655
163 H VAL 23 H VAL 23 8.726 -1.355 -0.104
164 HA VAL 23 HA VAL 23 10.223 -1.493 -2.639
165 HB VAL 23 HB VAL 23 7.775 -3.137 -2.148
166 HG11 VAL 23 HG11 VAL 23 10.082 -3.386 -4.047
167 HG12 VAL 23 HG12 VAL 23 8.445 -2.865 -4.433
168 HG13 VAL 23 HG13 VAL 23 8.746 -4.528 -3.927
169 HG21 VAL 23 HG21 VAL 23 10.606 -3.972 -1.544
170 HG22 VAL 23 HG22 VAL 23 9.228 -5.066 -1.621
171 HG23 VAL 23 HG23 VAL 23 9.287 -3.811 -0.386
172 H ALA 24 H ALA 24 9.154 -0.745 -4.457
173 HA ALA 24 HA ALA 24 7.117 1.237 -3.804
174 HB1 ALA 24 HB1 ALA 24 9.123 2.030 -4.953
175 HB2 ALA 24 HB2 ALA 24 7.687 2.274 -5.945
176 HB3 ALA 24 HB3 ALA 24 8.788 0.942 -6.299
177 H ALA 25 H ALA 25 6.150 -1.281 -3.774
178 HA ALA 25 HA ALA 25 4.337 -1.174 -6.080
179 HB1 ALA 25 HB1 ALA 25 4.174 -3.602 -6.070
180 HB2 ALA 25 HB2 ALA 25 5.351 -3.688 -4.759
181 HB3 ALA 25 HB3 ALA 25 5.839 -3.088 -6.346
182 H GLY 26 H GLY 26 2.415 -0.620 -5.393
183 HA2 GLY 26 HA2 GLY 26 1.226 -1.843 -3.063
184 HA3 GLY 26 HA3 GLY 26 1.568 -0.125 -2.883
185 H LYS 27 H LYS 27 -0.804 -2.194 -3.569
186 HA LYS 27 HA LYS 27 -2.016 -0.537 -5.683
187 HB2 LYS 27 HB2 LYS 27 -1.629 -2.949 -6.185
188 HB3 LYS 27 HB3 LYS 27 -2.694 -3.359 -4.854
189 HG2 LYS 27 HG2 LYS 27 -4.550 -2.278 -5.982
190 HG3 LYS 27 HG3 LYS 27 -3.486 -1.833 -7.316
191 HD2 LYS 27 HD2 LYS 27 -4.751 -3.796 -7.921
192 HD3 LYS 27 HD3 LYS 27 -3.056 -4.237 -7.719
193 HE2 LYS 27 HE2 LYS 27 -3.541 -5.095 -5.486
194 HE3 LYS 27 HE3 LYS 27 -5.229 -4.623 -5.662
195 HZ1 LYS 27 HZ1 LYS 27 -3.826 -6.619 -7.287
196 HZ2 LYS 27 HZ2 LYS 27 -5.373 -6.169 -7.502
197 HZ3 LYS 27 HZ3 LYS 27 -4.935 -6.935 -6.140
198 H CYS 28 H CYS 28 -4.337 -0.163 -5.522
199 HA CYS 28 HA CYS 28 -5.103 0.292 -2.725
200 HB2 CYS 28 HB2 CYS 28 -5.030 2.295 -4.092
201 HB3 CYS 28 HB3 CYS 28 -6.081 1.554 -5.292
202 H ILE 29 H ILE 29 -6.607 -0.946 -1.837
203 HA ILE 29 HA ILE 29 -8.663 -2.127 -3.586
204 HB ILE 29 HB ILE 29 -7.467 -3.494 -1.168
205 HG12 ILE 29 HG12 ILE 29 -7.155 -4.145 -4.112
206 HG13 ILE 29 HG13 ILE 29 -5.899 -3.473 -3.077
207 HG21 ILE 29 HG21 ILE 29 -9.814 -4.015 -1.496
208 HG22 ILE 29 HG22 ILE 29 -8.821 -5.412 -1.911
209 HG23 ILE 29 HG23 ILE 29 -9.513 -4.411 -3.187
210 HD11 ILE 29 HD11 ILE 29 -7.195 -6.172 -2.748
211 HD12 ILE 29 HD12 ILE 29 -5.919 -5.503 -1.729
212 HD13 ILE 29 HD13 ILE 29 -5.597 -5.862 -3.426
213 H ASN 30 H ASN 30 -10.342 -0.864 -3.133
214 HA ASN 30 HA ASN 30 -12.044 0.132 -2.045
215 HB2 ASN 30 HB2 ASN 30 -11.568 -2.205 -0.193
216 HB3 ASN 30 HB3 ASN 30 -12.983 -1.165 -0.143
217 HD21 ASN 30 HD21 ASN 30 -12.729 -4.041 -0.701
218 HD22 ASN 30 HD22 ASN 30 -13.465 -4.281 -2.238
219 H GLY 31 H GLY 31 -9.659 1.413 -1.530
220 HA2 GLY 31 HA2 GLY 31 -9.360 3.331 -0.188
221 HA3 GLY 31 HA3 GLY 31 -10.334 2.582 1.064
222 H ARG 32 H ARG 32 -8.595 0.072 0.590
223 HA ARG 32 HA ARG 32 -6.508 0.930 2.475
224 HB2 ARG 32 HB2 ARG 32 -7.317 -1.906 1.791
225 HB3 ARG 32 HB3 ARG 32 -6.350 -1.371 3.158
226 HG2 ARG 32 HG2 ARG 32 -9.266 -0.747 2.735
227 HG3 ARG 32 HG3 ARG 32 -8.630 -1.995 3.804
228 HD2 ARG 32 HD2 ARG 32 -7.479 -0.277 5.117
229 HD3 ARG 32 HD3 ARG 32 -8.118 0.967 4.043
230 HE ARG 32 HE ARG 32 -10.259 -0.527 5.049
231 HH11 ARG 32 HH11 ARG 32 -7.856 1.739 6.193
232 HH12 ARG 32 HH12 ARG 32 -8.846 2.334 7.485
233 HH21 ARG 32 HH21 ARG 32 -11.575 0.265 6.732
234 HH22 ARG 32 HH22 ARG 32 -10.970 1.505 7.786
235 H CYS 33 H CYS 33 -4.365 -0.250 2.221
236 HA CYS 33 HA CYS 33 -3.706 -0.350 -0.643
237 HB2 CYS 33 HB2 CYS 33 -2.088 0.798 1.620
238 HB3 CYS 33 HB3 CYS 33 -1.497 0.600 -0.028
239 H VAL 34 H VAL 34 -2.864 -2.156 -1.351
240 HA VAL 34 HA VAL 34 -1.722 -4.037 0.591
241 HB VAL 34 HB VAL 34 -3.486 -5.062 -0.647
242 HG11 VAL 34 HG11 VAL 34 -3.805 -3.682 -2.489
243 HG12 VAL 34 HG12 VAL 34 -3.308 -5.235 -3.164
244 HG13 VAL 34 HG13 VAL 34 -2.151 -3.906 -3.046
245 HG21 VAL 34 HG21 VAL 34 -1.553 -6.481 -0.270
246 HG22 VAL 34 HG22 VAL 34 -0.856 -5.949 -1.800
247 HG23 VAL 34 HG23 VAL 34 -2.346 -6.892 -1.792
248 H CYS 35 H CYS 35 0.368 -4.227 0.689
249 HA CYS 35 HA CYS 35 2.036 -3.036 -1.364
250 HB2 CYS 35 HB2 CYS 35 2.746 -4.236 1.319
251 HB3 CYS 35 HB3 CYS 35 3.849 -3.361 0.262
252 H TYR 36 H TYR 36 3.450 -4.103 -2.638
253 HA TYR 36 HA TYR 36 3.334 -7.052 -2.534
254 HB2 TYR 36 HB2 TYR 36 3.400 -5.190 -4.910
255 HB3 TYR 36 HB3 TYR 36 3.767 -6.906 -5.042
256 HD1 TYR 36 HD1 TYR 36 2.043 -8.520 -5.123
257 HD2 TYR 36 HD2 TYR 36 1.075 -4.480 -4.198
258 HE1 TYR 36 HE1 TYR 36 -0.339 -9.028 -5.410
259 HE2 TYR 36 HE2 TYR 36 -1.317 -4.982 -4.481
260 HH TYR 36 HH TYR 36 -2.508 -8.173 -4.721
261 HA PRO 37 HA PRO 37 7.758 -6.313 -2.191
262 HB2 PRO 37 HB2 PRO 37 8.281 -8.549 -0.744
263 HB3 PRO 37 HB3 PRO 37 7.649 -7.064 -0.034
264 HG2 PRO 37 HG2 PRO 37 6.309 -9.628 -0.476
265 HG3 PRO 37 HG3 PRO 37 5.852 -8.293 0.589
266 HD2 PRO 37 HD2 PRO 37 4.805 -8.960 -2.014
267 HD3 PRO 37 HD3 PRO 37 4.282 -7.677 -0.907
Start of MODEL 8
1 H PCA 1 H PCA 1 0.687 -11.300 -0.026
2 HA PCA 1 HA PCA 1 1.513 -9.004 -1.257
3 HB2 PCA 1 HB2 PCA 1 -0.241 -8.390 -2.535
4 HB3 PCA 1 HB3 PCA 1 -1.371 -8.746 -1.222
5 HG2 PCA 1 HG2 PCA 1 -0.723 -10.374 -3.543
6 HG3 PCA 1 HG3 PCA 1 -1.949 -10.678 -2.282
7 HT2 PCA 1 HT2 PCA 1 1.804 -11.098 -1.140
8 H ILE 2 H ILE 2 1.218 -7.275 0.175
9 HA ILE 2 HA ILE 2 0.351 -8.158 2.847
10 HB ILE 2 HB ILE 2 2.350 -6.017 2.111
11 HG12 ILE 2 HG12 ILE 2 2.746 -8.750 3.354
12 HG13 ILE 2 HG13 ILE 2 3.146 -8.318 1.695
13 HG21 ILE 2 HG21 ILE 2 1.524 -7.072 4.809
14 HG22 ILE 2 HG22 ILE 2 1.156 -5.476 4.161
15 HG23 ILE 2 HG23 ILE 2 2.827 -5.923 4.512
16 HD11 ILE 2 HD11 ILE 2 5.123 -8.356 3.094
17 HD12 ILE 2 HD12 ILE 2 4.401 -7.163 4.173
18 HD13 ILE 2 HD13 ILE 2 4.801 -6.722 2.514
19 H GLU 3 H GLU 3 -1.792 -7.542 2.763
20 HA GLU 3 HA GLU 3 -2.667 -4.943 2.036
21 HB2 GLU 3 HB2 GLU 3 -3.954 -7.108 3.697
22 HB3 GLU 3 HB3 GLU 3 -4.762 -5.613 3.256
23 HG2 GLU 3 HG2 GLU 3 -4.578 -6.175 0.906
24 HG3 GLU 3 HG3 GLU 3 -3.693 -7.646 1.311
25 H THR 4 H THR 4 -2.382 -3.120 3.108
26 HA THR 4 HA THR 4 -1.897 -3.239 6.013
27 HB THR 4 HB THR 4 -0.685 -1.095 5.742
28 HG1 THR 4 HG1 THR 4 -0.204 -1.154 3.119
29 HG21 THR 4 HG21 THR 4 0.339 -3.314 3.966
30 HG22 THR 4 HG22 THR 4 0.575 -3.192 5.709
31 HG23 THR 4 HG23 THR 4 1.309 -2.002 4.636
32 H ASN 5 H ASN 5 -2.638 -1.284 7.216
33 HA ASN 5 HA ASN 5 -5.349 -0.649 6.386
34 HB2 ASN 5 HB2 ASN 5 -5.684 0.182 8.618
35 HB3 ASN 5 HB3 ASN 5 -4.816 -1.343 8.736
36 HD21 ASN 5 HD21 ASN 5 -5.013 1.015 10.529
37 HD22 ASN 5 HD22 ASN 5 -3.377 1.470 10.855
38 H LYS 6 H LYS 6 -2.740 0.558 5.280
39 HA LYS 6 HA LYS 6 -2.982 3.356 5.991
40 HB2 LYS 6 HB2 LYS 6 -1.168 1.949 4.023
41 HB3 LYS 6 HB3 LYS 6 -1.055 3.647 4.469
42 HG2 LYS 6 HG2 LYS 6 -0.711 1.328 6.361
43 HG3 LYS 6 HG3 LYS 6 0.599 2.258 5.634
44 HD2 LYS 6 HD2 LYS 6 -0.225 4.280 6.738
45 HD3 LYS 6 HD3 LYS 6 -1.543 3.355 7.458
46 HE2 LYS 6 HE2 LYS 6 1.387 2.818 7.915
47 HE3 LYS 6 HE3 LYS 6 0.358 3.747 9.002
48 HZ1 LYS 6 HZ1 LYS 6 -0.028 0.923 8.301
49 HZ2 LYS 6 HZ2 LYS 6 -0.985 1.779 9.298
50 HZ3 LYS 6 HZ3 LYS 6 0.558 1.476 9.716
51 H LYS 7 H LYS 7 -3.304 5.019 4.416
52 HA LYS 7 HA LYS 7 -5.394 4.399 2.555
53 HB2 LYS 7 HB2 LYS 7 -3.981 7.014 3.119
54 HB3 LYS 7 HB3 LYS 7 -5.468 6.820 2.212
55 HG2 LYS 7 HG2 LYS 7 -5.060 6.284 5.141
56 HG3 LYS 7 HG3 LYS 7 -5.995 7.593 4.418
57 HD2 LYS 7 HD2 LYS 7 -6.612 4.659 4.108
58 HD3 LYS 7 HD3 LYS 7 -7.396 5.732 5.268
59 HE2 LYS 7 HE2 LYS 7 -8.262 7.100 3.455
60 HE3 LYS 7 HE3 LYS 7 -7.418 6.099 2.274
61 HZ1 LYS 7 HZ1 LYS 7 -9.751 5.525 2.497
62 HZ2 LYS 7 HZ2 LYS 7 -9.535 5.131 4.061
63 HZ3 LYS 7 HZ3 LYS 7 -8.793 4.270 2.896
64 H CYS 8 H CYS 8 -5.362 4.743 0.350
65 HA CYS 8 HA CYS 8 -2.968 3.892 -0.932
66 HB2 CYS 8 HB2 CYS 8 -5.411 4.958 -2.324
67 HB3 CYS 8 HB3 CYS 8 -4.288 3.720 -2.878
68 H GLN 9 H GLN 9 -2.054 4.971 -2.858
69 HA GLN 9 HA GLN 9 -1.744 7.851 -2.317
70 HB2 GLN 9 HB2 GLN 9 0.260 6.286 -2.125
71 HB3 GLN 9 HB3 GLN 9 0.140 6.065 -3.864
72 HG2 GLN 9 HG2 GLN 9 1.789 7.693 -3.551
73 HG3 GLN 9 HG3 GLN 9 0.351 8.581 -4.056
74 HE21 GLN 9 HE21 GLN 9 -0.737 9.866 -2.545
75 HE22 GLN 9 HE22 GLN 9 0.002 10.340 -1.054
76 H GLY 10 H GLY 10 -3.856 7.885 -3.605
77 HA2 GLY 10 HA2 GLY 10 -4.851 8.704 -5.510
78 HA3 GLY 10 HA3 GLY 10 -3.248 8.862 -6.208
79 H GLY 11 H GLY 11 -4.981 5.980 -5.072
80 HA2 GLY 11 HA2 GLY 11 -6.118 4.476 -6.566
81 HA3 GLY 11 HA3 GLY 11 -5.077 5.040 -7.860
82 H SER 12 H SER 12 -2.664 4.870 -6.202
83 HA SER 12 HA SER 12 -2.393 1.936 -6.121
84 HB2 SER 12 HB2 SER 12 -0.063 2.241 -6.713
85 HB3 SER 12 HB3 SER 12 -1.069 3.102 -7.876
86 HG SER 12 HG SER 12 -0.083 4.860 -7.342
87 H CYS 13 H CYS 13 0.040 1.819 -4.802
88 HA CYS 13 HA CYS 13 -0.149 3.522 -2.446
89 HB2 CYS 13 HB2 CYS 13 -1.380 1.379 -1.968
90 HB3 CYS 13 HB3 CYS 13 0.135 0.519 -2.219
91 H ALA 14 H ALA 14 1.525 3.344 -4.793
92 HA ALA 14 HA ALA 14 3.927 2.009 -4.481
93 HB1 ALA 14 HB1 ALA 14 3.247 3.139 -6.536
94 HB2 ALA 14 HB2 ALA 14 4.867 3.625 -6.039
95 HB3 ALA 14 HB3 ALA 14 3.498 4.704 -5.764
96 H SER 15 H SER 15 3.398 5.460 -3.683
97 HA SER 15 HA SER 15 5.942 5.729 -2.476
98 HB2 SER 15 HB2 SER 15 3.528 7.524 -2.178
99 HB3 SER 15 HB3 SER 15 5.207 7.961 -1.858
100 HG SER 15 HG SER 15 4.440 8.631 -3.947
101 H VAL 16 H VAL 16 2.937 4.580 -1.244
102 HA VAL 16 HA VAL 16 3.499 5.178 1.513
103 HB VAL 16 HB VAL 16 1.496 3.247 0.327
104 HG11 VAL 16 HG11 VAL 16 2.070 2.761 2.683
105 HG12 VAL 16 HG12 VAL 16 0.393 3.267 2.473
106 HG13 VAL 16 HG13 VAL 16 1.587 4.403 3.113
107 HG21 VAL 16 HG21 VAL 16 1.132 6.076 1.300
108 HG22 VAL 16 HG22 VAL 16 -0.148 5.006 0.730
109 HG23 VAL 16 HG23 VAL 16 1.108 5.548 -0.381
110 H CYS 17 H CYS 17 3.285 2.127 -0.329
111 HA CYS 17 HA CYS 17 4.419 0.485 1.621
112 HB2 CYS 17 HB2 CYS 17 4.402 0.196 -1.385
113 HB3 CYS 17 HB3 CYS 17 4.836 -1.086 -0.259
114 H ARG 18 H ARG 18 5.891 2.536 -0.782
115 HA ARG 18 HA ARG 18 8.500 1.583 -0.791
116 HB2 ARG 18 HB2 ARG 18 7.729 3.303 -2.324
117 HB3 ARG 18 HB3 ARG 18 7.470 4.421 -0.994
118 HG2 ARG 18 HG2 ARG 18 9.864 4.499 -0.571
119 HG3 ARG 18 HG3 ARG 18 10.137 3.336 -1.870
120 HD2 ARG 18 HD2 ARG 18 9.187 4.903 -3.478
121 HD3 ARG 18 HD3 ARG 18 8.896 6.065 -2.186
122 HE ARG 18 HE ARG 18 11.639 5.291 -2.329
123 HH11 ARG 18 HH11 ARG 18 9.231 7.348 -3.820
124 HH12 ARG 18 HH12 ARG 18 10.387 8.517 -4.371
125 HH21 ARG 18 HH21 ARG 18 13.169 6.823 -3.068
126 HH22 ARG 18 HH22 ARG 18 12.626 8.212 -3.959
127 H LYS 19 H LYS 19 6.827 3.585 1.553
128 HA LYS 19 HA LYS 19 9.272 4.001 3.078
129 HB2 LYS 19 HB2 LYS 19 7.667 5.858 2.777
130 HB3 LYS 19 HB3 LYS 19 6.448 4.927 3.636
131 HG2 LYS 19 HG2 LYS 19 7.790 4.985 5.656
132 HG3 LYS 19 HG3 LYS 19 9.069 5.848 4.801
133 HD2 LYS 19 HD2 LYS 19 6.257 6.862 5.233
134 HD3 LYS 19 HD3 LYS 19 7.673 7.354 6.162
135 HE2 LYS 19 HE2 LYS 19 7.257 7.761 3.200
136 HE3 LYS 19 HE3 LYS 19 7.128 8.999 4.444
137 HZ1 LYS 19 HZ1 LYS 19 9.466 8.613 4.928
138 HZ2 LYS 19 HZ2 LYS 19 9.249 9.107 3.397
139 HZ3 LYS 19 HZ3 LYS 19 9.566 7.545 3.706
140 H VAL 20 H VAL 20 6.254 2.210 3.239
141 HA VAL 20 HA VAL 20 6.547 1.382 5.948
142 HB VAL 20 HB VAL 20 4.865 0.147 3.759
143 HG11 VAL 20 HG11 VAL 20 3.558 -0.831 5.584
144 HG12 VAL 20 HG12 VAL 20 4.692 -0.160 6.757
145 HG13 VAL 20 HG13 VAL 20 5.229 -1.395 5.619
146 HG21 VAL 20 HG21 VAL 20 3.026 1.431 4.733
147 HG22 VAL 20 HG22 VAL 20 4.313 2.492 4.157
148 HG23 VAL 20 HG23 VAL 20 4.144 2.165 5.882
149 H ILE 21 H ILE 21 6.847 -0.526 2.915
150 HA ILE 21 HA ILE 21 8.362 -2.493 4.481
151 HB ILE 21 HB ILE 21 7.934 -4.098 2.676
152 HG12 ILE 21 HG12 ILE 21 6.083 -2.038 1.476
153 HG13 ILE 21 HG13 ILE 21 7.715 -2.312 0.882
154 HG21 ILE 21 HG21 ILE 21 5.448 -2.753 3.725
155 HG22 ILE 21 HG22 ILE 21 6.411 -3.965 4.570
156 HG23 ILE 21 HG23 ILE 21 5.544 -4.399 3.097
157 HD11 ILE 21 HD11 ILE 21 6.036 -3.490 -0.443
158 HD12 ILE 21 HD12 ILE 21 5.541 -4.385 0.996
159 HD13 ILE 21 HD13 ILE 21 7.162 -4.601 0.336
160 H GLY 22 H GLY 22 8.606 -0.368 1.708
161 HA2 GLY 22 HA2 GLY 22 10.948 0.432 1.397
162 HA3 GLY 22 HA3 GLY 22 11.414 -1.257 1.412
163 H VAL 23 H VAL 23 8.943 -1.888 -0.185
164 HA VAL 23 HA VAL 23 10.157 -1.279 -2.771
165 HB VAL 23 HB VAL 23 7.798 -3.083 -2.466
166 HG11 VAL 23 HG11 VAL 23 10.188 -3.060 -4.283
167 HG12 VAL 23 HG12 VAL 23 8.552 -2.539 -4.686
168 HG13 VAL 23 HG13 VAL 23 8.877 -4.239 -4.344
169 HG21 VAL 23 HG21 VAL 23 9.332 -3.824 -0.719
170 HG22 VAL 23 HG22 VAL 23 10.648 -3.885 -1.892
171 HG23 VAL 23 HG23 VAL 23 9.281 -4.990 -2.042
172 H ALA 24 H ALA 24 8.905 -0.457 -4.499
173 HA ALA 24 HA ALA 24 6.827 1.362 -3.524
174 HB1 ALA 24 HB1 ALA 24 8.775 2.354 -4.640
175 HB2 ALA 24 HB2 ALA 24 7.275 2.689 -5.502
176 HB3 ALA 24 HB3 ALA 24 8.381 1.455 -6.105
177 H ALA 25 H ALA 25 6.373 -1.485 -4.177
178 HA ALA 25 HA ALA 25 4.414 -1.148 -6.337
179 HB1 ALA 25 HB1 ALA 25 5.954 -3.006 -6.677
180 HB2 ALA 25 HB2 ALA 25 4.312 -3.594 -6.424
181 HB3 ALA 25 HB3 ALA 25 5.492 -3.687 -5.118
182 H GLY 26 H GLY 26 2.388 -0.847 -5.757
183 HA2 GLY 26 HA2 GLY 26 1.161 -2.263 -3.605
184 HA3 GLY 26 HA3 GLY 26 1.477 -0.586 -3.184
185 H LYS 27 H LYS 27 -1.010 -2.221 -3.743
186 HA LYS 27 HA LYS 27 -2.163 -0.451 -5.804
187 HB2 LYS 27 HB2 LYS 27 -2.905 -3.307 -5.133
188 HB3 LYS 27 HB3 LYS 27 -3.764 -2.288 -6.283
189 HG2 LYS 27 HG2 LYS 27 -1.824 -2.168 -7.700
190 HG3 LYS 27 HG3 LYS 27 -0.859 -3.044 -6.514
191 HD2 LYS 27 HD2 LYS 27 -1.498 -4.547 -8.283
192 HD3 LYS 27 HD3 LYS 27 -2.350 -4.998 -6.807
193 HE2 LYS 27 HE2 LYS 27 -4.372 -3.984 -7.590
194 HE3 LYS 27 HE3 LYS 27 -3.542 -3.284 -8.979
195 HZ1 LYS 27 HZ1 LYS 27 -3.881 -6.159 -8.509
196 HZ2 LYS 27 HZ2 LYS 27 -3.182 -5.484 -9.811
197 HZ3 LYS 27 HZ3 LYS 27 -4.771 -5.276 -9.545
198 H CYS 28 H CYS 28 -4.657 -0.407 -5.528
199 HA CYS 28 HA CYS 28 -5.169 0.137 -2.677
200 HB2 CYS 28 HB2 CYS 28 -5.040 2.159 -4.132
201 HB3 CYS 28 HB3 CYS 28 -6.405 1.538 -5.053
202 H ILE 29 H ILE 29 -6.758 -0.949 -1.749
203 HA ILE 29 HA ILE 29 -8.875 -2.089 -3.459
204 HB ILE 29 HB ILE 29 -7.773 -3.372 -0.952
205 HG12 ILE 29 HG12 ILE 29 -7.406 -4.240 -3.830
206 HG13 ILE 29 HG13 ILE 29 -6.172 -3.430 -2.869
207 HG21 ILE 29 HG21 ILE 29 -9.155 -5.281 -1.621
208 HG22 ILE 29 HG22 ILE 29 -9.752 -4.363 -3.003
209 HG23 ILE 29 HG23 ILE 29 -10.131 -3.834 -1.365
210 HD11 ILE 29 HD11 ILE 29 -7.400 -6.106 -2.252
211 HD12 ILE 29 HD12 ILE 29 -6.143 -5.298 -1.315
212 HD13 ILE 29 HD13 ILE 29 -5.810 -5.833 -2.962
213 H ASN 30 H ASN 30 -10.549 -0.781 -3.074
214 HA ASN 30 HA ASN 30 -12.239 0.302 -2.047
215 HB2 ASN 30 HB2 ASN 30 -11.622 -1.629 0.191
216 HB3 ASN 30 HB3 ASN 30 -13.073 -0.654 0.059
217 HD21 ASN 30 HD21 ASN 30 -12.682 -3.558 0.134
218 HD22 ASN 30 HD22 ASN 30 -13.468 -4.166 -1.273
219 H GLY 31 H GLY 31 -9.621 1.460 -1.768
220 HA2 GLY 31 HA2 GLY 31 -8.976 3.472 -0.782
221 HA3 GLY 31 HA3 GLY 31 -10.251 3.268 0.410
222 H ARG 32 H ARG 32 -8.386 0.491 0.048
223 HA ARG 32 HA ARG 32 -6.648 1.253 2.299
224 HB2 ARG 32 HB2 ARG 32 -8.076 -1.346 1.737
225 HB3 ARG 32 HB3 ARG 32 -6.708 -1.249 2.836
226 HG2 ARG 32 HG2 ARG 32 -9.176 0.429 3.152
227 HG3 ARG 32 HG3 ARG 32 -8.978 -1.155 3.904
228 HD2 ARG 32 HD2 ARG 32 -7.017 -0.372 5.096
229 HD3 ARG 32 HD3 ARG 32 -7.118 1.189 4.287
230 HE ARG 32 HE ARG 32 -9.144 1.624 5.515
231 HH11 ARG 32 HH11 ARG 32 -7.344 -1.176 6.600
232 HH12 ARG 32 HH12 ARG 32 -7.955 -1.095 8.220
233 HH21 ARG 32 HH21 ARG 32 -9.967 1.709 7.635
234 HH22 ARG 32 HH22 ARG 32 -9.453 0.535 8.805
235 H CYS 33 H CYS 33 -4.587 0.150 2.370
236 HA CYS 33 HA CYS 33 -3.531 0.042 -0.341
237 HB2 CYS 33 HB2 CYS 33 -2.388 1.635 0.953
238 HB3 CYS 33 HB3 CYS 33 -2.298 0.577 2.356
239 H VAL 34 H VAL 34 -2.444 -1.654 -1.177
240 HA VAL 34 HA VAL 34 -1.790 -3.882 0.609
241 HB VAL 34 HB VAL 34 -3.732 -4.644 -0.564
242 HG11 VAL 34 HG11 VAL 34 -3.889 -3.158 -2.388
243 HG12 VAL 34 HG12 VAL 34 -3.738 -4.782 -3.063
244 HG13 VAL 34 HG13 VAL 34 -2.346 -3.697 -3.045
245 HG21 VAL 34 HG21 VAL 34 -1.261 -5.819 -1.816
246 HG22 VAL 34 HG22 VAL 34 -2.851 -6.580 -1.775
247 HG23 VAL 34 HG23 VAL 34 -1.974 -6.290 -0.272
248 H CYS 35 H CYS 35 0.298 -4.133 0.631
249 HA CYS 35 HA CYS 35 1.940 -2.980 -1.449
250 HB2 CYS 35 HB2 CYS 35 2.665 -4.372 1.134
251 HB3 CYS 35 HB3 CYS 35 3.806 -3.568 0.060
252 H TYR 36 H TYR 36 3.296 -4.046 -2.804
253 HA TYR 36 HA TYR 36 3.038 -6.982 -2.866
254 HB2 TYR 36 HB2 TYR 36 2.920 -4.979 -5.102
255 HB3 TYR 36 HB3 TYR 36 3.403 -6.642 -5.409
256 HD1 TYR 36 HD1 TYR 36 1.806 -8.358 -5.576
257 HD2 TYR 36 HD2 TYR 36 0.624 -4.541 -4.123
258 HE1 TYR 36 HE1 TYR 36 -0.548 -9.039 -5.719
259 HE2 TYR 36 HE2 TYR 36 -1.732 -5.213 -4.265
260 HH TYR 36 HH TYR 36 -2.708 -8.436 -4.716
261 HA PRO 37 HA PRO 37 7.533 -6.333 -2.790
262 HB2 PRO 37 HB2 PRO 37 7.830 -8.472 -0.974
263 HB3 PRO 37 HB3 PRO 37 7.868 -6.751 -0.590
264 HG2 PRO 37 HG2 PRO 37 5.909 -8.593 0.219
265 HG3 PRO 37 HG3 PRO 37 5.805 -6.830 0.332
266 HD2 PRO 37 HD2 PRO 37 4.634 -8.676 -1.688
267 HD3 PRO 37 HD3 PRO 37 4.013 -7.131 -1.067
Start of MODEL 9
1 H PCA 1 H PCA 1 0.220 -11.357 0.613
2 HA PCA 1 HA PCA 1 1.646 -9.318 -0.436
3 HB2 PCA 1 HB2 PCA 1 0.318 -8.396 -2.007
4 HB3 PCA 1 HB3 PCA 1 -1.023 -8.345 -0.855
5 HG2 PCA 1 HG2 PCA 1 -0.607 -10.206 -3.032
6 HG3 PCA 1 HG3 PCA 1 -1.984 -10.124 -1.899
7 HT2 PCA 1 HT2 PCA 1 1.428 -11.415 -0.419
8 H ILE 2 H ILE 2 1.013 -7.277 0.733
9 HA ILE 2 HA ILE 2 -0.159 -8.009 3.339
10 HB ILE 2 HB ILE 2 1.808 -5.772 2.843
11 HG12 ILE 2 HG12 ILE 2 2.364 -8.532 3.963
12 HG13 ILE 2 HG13 ILE 2 2.828 -7.989 2.353
13 HG21 ILE 2 HG21 ILE 2 0.882 -7.116 5.381
14 HG22 ILE 2 HG22 ILE 2 0.369 -5.529 4.810
15 HG23 ILE 2 HG23 ILE 2 2.050 -5.799 5.272
16 HD11 ILE 2 HD11 ILE 2 4.265 -6.283 3.350
17 HD12 ILE 2 HD12 ILE 2 4.707 -7.905 3.880
18 HD13 ILE 2 HD13 ILE 2 3.806 -6.840 4.958
19 H GLU 3 H GLU 3 -2.281 -7.410 2.845
20 HA GLU 3 HA GLU 3 -2.911 -4.761 1.945
21 HB2 GLU 3 HB2 GLU 3 -4.705 -6.777 3.310
22 HB3 GLU 3 HB3 GLU 3 -5.234 -5.327 2.476
23 HG2 GLU 3 HG2 GLU 3 -5.646 -6.962 0.917
24 HG3 GLU 3 HG3 GLU 3 -4.061 -6.379 0.419
25 H THR 4 H THR 4 -2.323 -3.112 3.220
26 HA THR 4 HA THR 4 -2.521 -3.390 6.126
27 HB THR 4 HB THR 4 -1.244 -1.302 6.239
28 HG1 THR 4 HG1 THR 4 -1.402 -1.382 3.387
29 HG21 THR 4 HG21 THR 4 0.847 -2.081 5.209
30 HG22 THR 4 HG22 THR 4 -0.063 -3.282 4.290
31 HG23 THR 4 HG23 THR 4 0.006 -3.384 6.049
32 H ASN 5 H ASN 5 -3.346 -1.430 7.337
33 HA ASN 5 HA ASN 5 -5.926 -0.715 6.187
34 HB2 ASN 5 HB2 ASN 5 -6.526 0.029 8.453
35 HB3 ASN 5 HB3 ASN 5 -5.944 -1.628 8.446
36 HD21 ASN 5 HD21 ASN 5 -4.023 -2.129 9.450
37 HD22 ASN 5 HD22 ASN 5 -3.214 -1.025 10.512
38 H LYS 6 H LYS 6 -3.434 0.536 5.278
39 HA LYS 6 HA LYS 6 -3.799 3.311 6.100
40 HB2 LYS 6 HB2 LYS 6 -1.719 1.855 4.507
41 HB3 LYS 6 HB3 LYS 6 -1.869 3.601 4.371
42 HG2 LYS 6 HG2 LYS 6 -1.529 3.812 6.788
43 HG3 LYS 6 HG3 LYS 6 -1.353 2.061 6.906
44 HD2 LYS 6 HD2 LYS 6 0.388 3.732 5.115
45 HD3 LYS 6 HD3 LYS 6 0.789 3.439 6.807
46 HE2 LYS 6 HE2 LYS 6 0.294 1.269 4.772
47 HE3 LYS 6 HE3 LYS 6 1.888 1.875 5.217
48 HZ1 LYS 6 HZ1 LYS 6 1.444 1.177 7.470
49 HZ2 LYS 6 HZ2 LYS 6 1.344 -0.088 6.457
50 HZ3 LYS 6 HZ3 LYS 6 -0.010 0.588 7.043
51 H LYS 7 H LYS 7 -4.278 4.960 4.619
52 HA LYS 7 HA LYS 7 -6.154 4.126 2.594
53 HB2 LYS 7 HB2 LYS 7 -5.342 6.918 3.409
54 HB3 LYS 7 HB3 LYS 7 -6.784 6.448 2.530
55 HG2 LYS 7 HG2 LYS 7 -6.145 5.809 5.399
56 HG3 LYS 7 HG3 LYS 7 -7.352 6.955 4.813
57 HD2 LYS 7 HD2 LYS 7 -7.391 3.986 4.284
58 HD3 LYS 7 HD3 LYS 7 -8.319 4.793 5.546
59 HE2 LYS 7 HE2 LYS 7 -9.461 6.130 3.829
60 HE3 LYS 7 HE3 LYS 7 -8.552 5.284 2.579
61 HZ1 LYS 7 HZ1 LYS 7 -10.432 4.028 4.450
62 HZ2 LYS 7 HZ2 LYS 7 -9.603 3.253 3.285
63 HZ3 LYS 7 HZ3 LYS 7 -10.734 4.351 2.882
64 H CYS 8 H CYS 8 -6.022 4.563 0.444
65 HA CYS 8 HA CYS 8 -3.555 4.288 -0.799
66 HB2 CYS 8 HB2 CYS 8 -5.931 5.492 -2.187
67 HB3 CYS 8 HB3 CYS 8 -4.734 4.364 -2.820
68 H GLN 9 H GLN 9 -2.372 5.698 -2.196
69 HA GLN 9 HA GLN 9 -2.636 8.534 -1.445
70 HB2 GLN 9 HB2 GLN 9 -0.657 7.357 -0.464
71 HB3 GLN 9 HB3 GLN 9 -0.086 7.046 -2.095
72 HG2 GLN 9 HG2 GLN 9 1.094 8.919 -1.194
73 HG3 GLN 9 HG3 GLN 9 0.033 9.474 -2.486
74 HE21 GLN 9 HE21 GLN 9 -1.099 8.645 0.718
75 HE22 GLN 9 HE22 GLN 9 -1.517 10.254 1.190
76 H GLY 10 H GLY 10 -4.101 8.365 -3.409
77 HA2 GLY 10 HA2 GLY 10 -4.301 9.481 -5.455
78 HA3 GLY 10 HA3 GLY 10 -2.560 9.370 -5.661
79 H GLY 11 H GLY 11 -5.272 7.075 -5.311
80 HA2 GLY 11 HA2 GLY 11 -6.056 5.553 -6.885
81 HA3 GLY 11 HA3 GLY 11 -4.764 6.044 -7.967
82 H SER 12 H SER 12 -2.638 5.578 -6.064
83 HA SER 12 HA SER 12 -2.774 2.663 -5.725
84 HB2 SER 12 HB2 SER 12 -0.482 4.200 -6.965
85 HB3 SER 12 HB3 SER 12 -0.475 2.474 -6.602
86 HG SER 12 HG SER 12 -2.214 3.821 -8.409
87 H CYS 13 H CYS 13 -0.574 2.009 -4.565
88 HA CYS 13 HA CYS 13 -0.016 3.952 -2.431
89 HB2 CYS 13 HB2 CYS 13 -0.600 1.002 -2.078
90 HB3 CYS 13 HB3 CYS 13 -0.044 2.075 -0.800
91 H ALA 14 H ALA 14 1.419 3.258 -4.838
92 HA ALA 14 HA ALA 14 3.479 1.405 -4.432
93 HB1 ALA 14 HB1 ALA 14 4.605 2.512 -6.289
94 HB2 ALA 14 HB2 ALA 14 3.508 3.886 -6.147
95 HB3 ALA 14 HB3 ALA 14 2.886 2.308 -6.629
96 H SER 15 H SER 15 3.431 4.927 -3.918
97 HA SER 15 HA SER 15 6.109 4.971 -2.919
98 HB2 SER 15 HB2 SER 15 3.953 7.081 -2.718
99 HB3 SER 15 HB3 SER 15 5.680 7.326 -2.451
100 HG SER 15 HG SER 15 4.396 7.504 -4.728
101 H VAL 16 H VAL 16 2.953 4.576 -1.534
102 HA VAL 16 HA VAL 16 3.556 5.077 1.166
103 HB VAL 16 HB VAL 16 1.595 3.100 -0.022
104 HG11 VAL 16 HG11 VAL 16 2.116 2.530 2.296
105 HG12 VAL 16 HG12 VAL 16 0.470 3.146 2.147
106 HG13 VAL 16 HG13 VAL 16 1.745 4.180 2.792
107 HG21 VAL 16 HG21 VAL 16 1.146 5.383 -0.702
108 HG22 VAL 16 HG22 VAL 16 1.221 5.921 0.976
109 HG23 VAL 16 HG23 VAL 16 -0.074 4.843 0.452
110 H CYS 17 H CYS 17 3.457 1.996 -0.609
111 HA CYS 17 HA CYS 17 4.629 0.469 1.461
112 HB2 CYS 17 HB2 CYS 17 4.469 -0.095 -1.505
113 HB3 CYS 17 HB3 CYS 17 4.821 -1.277 -0.248
114 H ARG 18 H ARG 18 5.959 2.455 -1.049
115 HA ARG 18 HA ARG 18 8.565 1.424 -1.174
116 HB2 ARG 18 HB2 ARG 18 7.342 3.261 -2.587
117 HB3 ARG 18 HB3 ARG 18 7.986 4.361 -1.377
118 HG2 ARG 18 HG2 ARG 18 10.256 3.368 -1.899
119 HG3 ARG 18 HG3 ARG 18 9.489 2.625 -3.304
120 HD2 ARG 18 HD2 ARG 18 9.904 5.525 -2.688
121 HD3 ARG 18 HD3 ARG 18 10.379 4.624 -4.124
122 HE ARG 18 HE ARG 18 7.652 5.510 -3.468
123 HH11 ARG 18 HH11 ARG 18 9.974 4.342 -5.814
124 HH12 ARG 18 HH12 ARG 18 8.967 4.701 -7.178
125 HH21 ARG 18 HH21 ARG 18 6.323 6.000 -5.258
126 HH22 ARG 18 HH22 ARG 18 6.885 5.635 -6.860
127 H LYS 19 H LYS 19 6.936 3.509 1.078
128 HA LYS 19 HA LYS 19 9.355 4.158 2.533
129 HB2 LYS 19 HB2 LYS 19 7.586 5.835 2.287
130 HB3 LYS 19 HB3 LYS 19 6.449 4.766 3.091
131 HG2 LYS 19 HG2 LYS 19 7.808 4.894 5.136
132 HG3 LYS 19 HG3 LYS 19 8.892 6.020 4.319
133 HD2 LYS 19 HD2 LYS 19 7.301 7.225 5.710
134 HD3 LYS 19 HD3 LYS 19 7.022 7.577 4.004
135 HE2 LYS 19 HE2 LYS 19 5.186 5.959 3.971
136 HE3 LYS 19 HE3 LYS 19 5.470 5.601 5.672
137 HZ1 LYS 19 HZ1 LYS 19 4.883 7.845 6.192
138 HZ2 LYS 19 HZ2 LYS 19 3.677 7.174 5.332
139 HZ3 LYS 19 HZ3 LYS 19 4.691 8.224 4.620
140 H VAL 20 H VAL 20 6.501 2.120 2.873
141 HA VAL 20 HA VAL 20 6.972 1.366 5.564
142 HB VAL 20 HB VAL 20 5.409 -0.163 3.477
143 HG11 VAL 20 HG11 VAL 20 5.936 -1.474 5.472
144 HG12 VAL 20 HG12 VAL 20 4.213 -1.107 5.384
145 HG13 VAL 20 HG13 VAL 20 5.250 -0.207 6.489
146 HG21 VAL 20 HG21 VAL 20 4.442 1.924 5.428
147 HG22 VAL 20 HG22 VAL 20 3.451 1.010 4.289
148 HG23 VAL 20 HG23 VAL 20 4.643 2.162 3.692
149 H ILE 21 H ILE 21 7.277 -0.638 2.613
150 HA ILE 21 HA ILE 21 9.207 -2.277 4.108
151 HB ILE 21 HB ILE 21 8.630 -4.109 2.523
152 HG12 ILE 21 HG12 ILE 21 6.354 -2.289 1.729
153 HG13 ILE 21 HG13 ILE 21 7.738 -2.673 0.711
154 HG21 ILE 21 HG21 ILE 21 7.656 -3.994 4.755
155 HG22 ILE 21 HG22 ILE 21 6.516 -4.677 3.597
156 HG23 ILE 21 HG23 ILE 21 6.335 -3.007 4.131
157 HD11 ILE 21 HD11 ILE 21 5.835 -4.005 0.070
158 HD12 ILE 21 HD12 ILE 21 5.665 -4.607 1.719
159 HD13 ILE 21 HD13 ILE 21 7.081 -5.042 0.762
160 H GLY 22 H GLY 22 8.929 -0.134 1.502
161 HA2 GLY 22 HA2 GLY 22 11.056 0.728 0.703
162 HA3 GLY 22 HA3 GLY 22 11.656 -0.922 0.697
163 H VAL 23 H VAL 23 9.209 -1.980 -0.558
164 HA VAL 23 HA VAL 23 10.076 -1.486 -3.267
165 HB VAL 23 HB VAL 23 8.632 -3.277 -3.948
166 HG11 VAL 23 HG11 VAL 23 9.946 -3.984 -1.327
167 HG12 VAL 23 HG12 VAL 23 10.748 -3.905 -2.895
168 HG13 VAL 23 HG13 VAL 23 9.499 -5.116 -2.605
169 HG21 VAL 23 HG21 VAL 23 6.679 -2.723 -2.611
170 HG22 VAL 23 HG22 VAL 23 7.515 -3.253 -1.152
171 HG23 VAL 23 HG23 VAL 23 7.119 -4.419 -2.412
172 H ALA 24 H ALA 24 8.862 -0.628 -4.921
173 HA ALA 24 HA ALA 24 6.712 1.136 -4.059
174 HB1 ALA 24 HB1 ALA 24 8.132 0.959 -6.716
175 HB2 ALA 24 HB2 ALA 24 8.513 2.089 -5.417
176 HB3 ALA 24 HB3 ALA 24 6.962 2.194 -6.252
177 H ALA 25 H ALA 25 6.026 -1.481 -3.945
178 HA ALA 25 HA ALA 25 4.127 -1.732 -6.173
179 HB1 ALA 25 HB1 ALA 25 4.115 -4.119 -5.833
180 HB2 ALA 25 HB2 ALA 25 5.225 -3.963 -4.472
181 HB3 ALA 25 HB3 ALA 25 5.768 -3.568 -6.102
182 H GLY 26 H GLY 26 2.279 -0.964 -5.495
183 HA2 GLY 26 HA2 GLY 26 0.966 -2.031 -3.180
184 HA3 GLY 26 HA3 GLY 26 1.471 -0.363 -2.961
185 H LYS 27 H LYS 27 -1.136 -2.067 -3.576
186 HA LYS 27 HA LYS 27 -2.163 -0.268 -5.674
187 HB2 LYS 27 HB2 LYS 27 -3.086 -3.042 -4.904
188 HB3 LYS 27 HB3 LYS 27 -3.870 -2.021 -6.101
189 HG2 LYS 27 HG2 LYS 27 -1.824 -2.038 -7.442
190 HG3 LYS 27 HG3 LYS 27 -1.066 -3.098 -6.251
191 HD2 LYS 27 HD2 LYS 27 -2.738 -4.809 -6.678
192 HD3 LYS 27 HD3 LYS 27 -3.562 -3.743 -7.819
193 HE2 LYS 27 HE2 LYS 27 -1.528 -3.693 -9.196
194 HE3 LYS 27 HE3 LYS 27 -0.765 -4.821 -8.080
195 HZ1 LYS 27 HZ1 LYS 27 -2.475 -6.410 -8.642
196 HZ2 LYS 27 HZ2 LYS 27 -1.663 -5.952 -9.973
197 HZ3 LYS 27 HZ3 LYS 27 -3.153 -5.365 -9.692
198 H CYS 28 H CYS 28 -4.497 0.184 -5.535
199 HA CYS 28 HA CYS 28 -5.260 0.719 -2.752
200 HB2 CYS 28 HB2 CYS 28 -5.104 2.677 -4.242
201 HB3 CYS 28 HB3 CYS 28 -6.289 1.949 -5.320
202 H ILE 29 H ILE 29 -6.217 -1.175 -2.164
203 HA ILE 29 HA ILE 29 -8.417 -2.178 -3.838
204 HB ILE 29 HB ILE 29 -6.973 -3.517 -1.546
205 HG12 ILE 29 HG12 ILE 29 -6.828 -4.027 -4.533
206 HG13 ILE 29 HG13 ILE 29 -5.561 -3.322 -3.536
207 HG21 ILE 29 HG21 ILE 29 -8.199 -5.530 -2.216
208 HG22 ILE 29 HG22 ILE 29 -9.097 -4.578 -3.398
209 HG23 ILE 29 HG23 ILE 29 -9.274 -4.240 -1.676
210 HD11 ILE 29 HD11 ILE 29 -5.145 -5.672 -4.041
211 HD12 ILE 29 HD12 ILE 29 -6.653 -6.106 -3.236
212 HD13 ILE 29 HD13 ILE 29 -5.333 -5.390 -2.310
213 H ASN 30 H ASN 30 -10.258 -1.174 -3.271
214 HA ASN 30 HA ASN 30 -12.025 -0.455 -2.042
215 HB2 ASN 30 HB2 ASN 30 -10.962 -2.635 -0.343
216 HB3 ASN 30 HB3 ASN 30 -12.231 -1.615 0.304
217 HD21 ASN 30 HD21 ASN 30 -11.930 -2.472 -3.082
218 HD22 ASN 30 HD22 ASN 30 -13.341 -3.456 -3.143
219 H GLY 31 H GLY 31 -9.688 1.120 -1.925
220 HA2 GLY 31 HA2 GLY 31 -9.004 3.021 -0.809
221 HA3 GLY 31 HA3 GLY 31 -10.282 2.731 0.363
222 H ARG 32 H ARG 32 -7.957 0.275 -0.356
223 HA ARG 32 HA ARG 32 -6.565 0.789 2.189
224 HB2 ARG 32 HB2 ARG 32 -7.175 -1.949 1.050
225 HB3 ARG 32 HB3 ARG 32 -6.497 -1.582 2.629
226 HG2 ARG 32 HG2 ARG 32 -9.239 -0.668 1.834
227 HG3 ARG 32 HG3 ARG 32 -8.945 -2.265 2.521
228 HD2 ARG 32 HD2 ARG 32 -8.017 0.255 3.866
229 HD3 ARG 32 HD3 ARG 32 -9.628 -0.414 4.126
230 HE ARG 32 HE ARG 32 -7.366 -2.197 4.554
231 HH11 ARG 32 HH11 ARG 32 -9.762 -0.075 5.944
232 HH12 ARG 32 HH12 ARG 32 -9.719 -0.829 7.504
233 HH21 ARG 32 HH21 ARG 32 -7.300 -3.206 6.607
234 HH22 ARG 32 HH22 ARG 32 -8.311 -2.612 7.884
235 H CYS 33 H CYS 33 -4.375 -0.071 2.238
236 HA CYS 33 HA CYS 33 -3.163 0.039 -0.431
237 HB2 CYS 33 HB2 CYS 33 -2.111 0.816 2.281
238 HB3 CYS 33 HB3 CYS 33 -1.049 0.602 0.895
239 H VAL 34 H VAL 34 -2.751 -1.907 -1.183
240 HA VAL 34 HA VAL 34 -1.762 -3.966 0.647
241 HB VAL 34 HB VAL 34 -3.596 -4.678 -0.770
242 HG11 VAL 34 HG11 VAL 34 -3.304 -4.844 -3.220
243 HG12 VAL 34 HG12 VAL 34 -1.829 -3.887 -3.065
244 HG13 VAL 34 HG13 VAL 34 -3.386 -3.188 -2.621
245 HG21 VAL 34 HG21 VAL 34 -1.905 -6.332 -0.189
246 HG22 VAL 34 HG22 VAL 34 -0.997 -5.919 -1.644
247 HG23 VAL 34 HG23 VAL 34 -2.594 -6.657 -1.781
248 H CYS 35 H CYS 35 0.323 -4.271 0.822
249 HA CYS 35 HA CYS 35 2.105 -3.168 -1.213
250 HB2 CYS 35 HB2 CYS 35 2.656 -4.196 1.577
251 HB3 CYS 35 HB3 CYS 35 3.864 -3.502 0.499
252 H TYR 36 H TYR 36 3.512 -4.375 -2.399
253 HA TYR 36 HA TYR 36 3.226 -7.303 -2.129
254 HB2 TYR 36 HB2 TYR 36 3.543 -5.554 -4.555
255 HB3 TYR 36 HB3 TYR 36 3.944 -7.267 -4.609
256 HD1 TYR 36 HD1 TYR 36 1.149 -4.929 -3.788
257 HD2 TYR 36 HD2 TYR 36 2.291 -8.837 -5.028
258 HE1 TYR 36 HE1 TYR 36 -1.206 -5.480 -4.217
259 HE2 TYR 36 HE2 TYR 36 -0.057 -9.392 -5.463
260 HH TYR 36 HH TYR 36 -2.278 -8.658 -4.746
261 HA PRO 37 HA PRO 37 7.654 -6.774 -1.360
262 HB2 PRO 37 HB2 PRO 37 7.895 -8.875 0.323
263 HB3 PRO 37 HB3 PRO 37 7.302 -7.295 0.840
264 HG2 PRO 37 HG2 PRO 37 5.817 -9.809 0.372
265 HG3 PRO 37 HG3 PRO 37 5.448 -8.464 1.460
266 HD2 PRO 37 HD2 PRO 37 4.283 -8.972 -1.059
267 HD3 PRO 37 HD3 PRO 37 4.099 -7.508 -0.077
Start of MODEL 10
1 H PCA 1 H PCA 1 0.778 -11.315 0.627
2 HA PCA 1 HA PCA 1 1.899 -9.094 -0.425
3 HB2 PCA 1 HB2 PCA 1 0.485 -8.385 -2.035
4 HB3 PCA 1 HB3 PCA 1 -0.906 -8.641 -0.974
5 HG2 PCA 1 HG2 PCA 1 0.127 -10.374 -3.095
6 HG3 PCA 1 HG3 PCA 1 -1.403 -10.512 -2.184
7 HT2 PCA 1 HT2 PCA 1 2.022 -11.201 -0.359
8 H ILE 2 H ILE 2 0.903 -7.168 0.710
9 HA ILE 2 HA ILE 2 -0.388 -8.058 3.208
10 HB ILE 2 HB ILE 2 1.696 -5.883 2.971
11 HG12 ILE 2 HG12 ILE 2 2.682 -8.120 2.684
12 HG13 ILE 2 HG13 ILE 2 3.171 -7.401 4.214
13 HG21 ILE 2 HG21 ILE 2 0.063 -5.456 4.726
14 HG22 ILE 2 HG22 ILE 2 1.631 -5.866 5.420
15 HG23 ILE 2 HG23 ILE 2 0.339 -7.066 5.393
16 HD11 ILE 2 HD11 ILE 2 1.026 -9.480 3.855
17 HD12 ILE 2 HD12 ILE 2 1.535 -8.770 5.388
18 HD13 ILE 2 HD13 ILE 2 2.658 -9.762 4.457
19 H GLU 3 H GLU 3 -2.445 -7.399 2.822
20 HA GLU 3 HA GLU 3 -3.112 -4.781 1.870
21 HB2 GLU 3 HB2 GLU 3 -4.793 -6.805 3.366
22 HB3 GLU 3 HB3 GLU 3 -5.408 -5.371 2.560
23 HG2 GLU 3 HG2 GLU 3 -4.777 -6.244 0.414
24 HG3 GLU 3 HG3 GLU 3 -3.992 -7.631 1.164
25 H THR 4 H THR 4 -2.288 -3.162 3.120
26 HA THR 4 HA THR 4 -2.477 -3.338 6.023
27 HB THR 4 HB THR 4 -1.179 -1.244 6.041
28 HG1 THR 4 HG1 THR 4 -1.284 -1.472 3.196
29 HG21 THR 4 HG21 THR 4 0.045 -3.343 5.950
30 HG22 THR 4 HG22 THR 4 0.888 -2.106 5.016
31 HG23 THR 4 HG23 THR 4 -0.055 -3.346 4.190
32 H ASN 5 H ASN 5 -3.458 -1.658 7.292
33 HA ASN 5 HA ASN 5 -5.946 -0.758 6.152
34 HB2 ASN 5 HB2 ASN 5 -4.774 -0.628 8.916
35 HB3 ASN 5 HB3 ASN 5 -6.256 0.229 8.507
36 HD21 ASN 5 HD21 ASN 5 -5.870 -1.931 10.376
37 HD22 ASN 5 HD22 ASN 5 -6.896 -3.221 9.861
38 H LYS 6 H LYS 6 -3.524 0.416 5.106
39 HA LYS 6 HA LYS 6 -3.681 3.195 5.973
40 HB2 LYS 6 HB2 LYS 6 -1.860 1.745 4.046
41 HB3 LYS 6 HB3 LYS 6 -1.808 3.483 4.303
42 HG2 LYS 6 HG2 LYS 6 -1.218 3.176 6.608
43 HG3 LYS 6 HG3 LYS 6 -1.408 1.430 6.462
44 HD2 LYS 6 HD2 LYS 6 0.474 1.270 5.012
45 HD3 LYS 6 HD3 LYS 6 0.564 3.025 4.840
46 HE2 LYS 6 HE2 LYS 6 2.276 2.140 6.375
47 HE3 LYS 6 HE3 LYS 6 1.167 3.261 7.162
48 HZ1 LYS 6 HZ1 LYS 6 1.018 0.336 7.341
49 HZ2 LYS 6 HZ2 LYS 6 0.013 1.377 8.079
50 HZ3 LYS 6 HZ3 LYS 6 1.579 1.324 8.506
51 H LYS 7 H LYS 7 -4.554 4.792 4.748
52 HA LYS 7 HA LYS 7 -6.319 4.058 2.627
53 HB2 LYS 7 HB2 LYS 7 -6.947 6.371 2.526
54 HB3 LYS 7 HB3 LYS 7 -6.793 5.925 4.214
55 HG2 LYS 7 HG2 LYS 7 -4.576 7.286 2.724
56 HG3 LYS 7 HG3 LYS 7 -5.880 8.188 3.489
57 HD2 LYS 7 HD2 LYS 7 -5.293 7.064 5.640
58 HD3 LYS 7 HD3 LYS 7 -3.898 6.353 4.827
59 HE2 LYS 7 HE2 LYS 7 -4.443 9.306 5.086
60 HE3 LYS 7 HE3 LYS 7 -3.327 8.388 6.095
61 HZ1 LYS 7 HZ1 LYS 7 -3.081 8.686 3.185
62 HZ2 LYS 7 HZ2 LYS 7 -2.021 7.936 4.161
63 HZ3 LYS 7 HZ3 LYS 7 -2.232 9.542 4.277
64 H CYS 8 H CYS 8 -6.207 4.634 0.468
65 HA CYS 8 HA CYS 8 -3.703 4.255 -0.734
66 HB2 CYS 8 HB2 CYS 8 -6.088 5.473 -2.119
67 HB3 CYS 8 HB3 CYS 8 -4.821 4.467 -2.814
68 H GLN 9 H GLN 9 -2.484 5.656 -2.090
69 HA GLN 9 HA GLN 9 -2.539 8.427 -1.142
70 HB2 GLN 9 HB2 GLN 9 -0.449 7.030 -0.965
71 HB3 GLN 9 HB3 GLN 9 -0.385 7.016 -2.720
72 HG2 GLN 9 HG2 GLN 9 -0.144 9.426 -2.756
73 HG3 GLN 9 HG3 GLN 9 -0.277 9.480 -0.998
74 HE21 GLN 9 HE21 GLN 9 1.416 8.705 0.258
75 HE22 GLN 9 HE22 GLN 9 3.005 8.475 -0.387
76 H GLY 10 H GLY 10 -4.410 8.850 -2.480
77 HA2 GLY 10 HA2 GLY 10 -5.172 10.071 -4.308
78 HA3 GLY 10 HA3 GLY 10 -3.639 9.778 -5.117
79 H GLY 11 H GLY 11 -3.291 7.457 -5.792
80 HA2 GLY 11 HA2 GLY 11 -5.826 6.188 -6.600
81 HA3 GLY 11 HA3 GLY 11 -4.603 6.547 -7.808
82 H SER 12 H SER 12 -2.471 5.862 -5.776
83 HA SER 12 HA SER 12 -2.855 2.978 -5.528
84 HB2 SER 12 HB2 SER 12 -0.455 4.254 -6.852
85 HB3 SER 12 HB3 SER 12 -0.657 2.532 -6.522
86 HG SER 12 HG SER 12 -2.802 3.249 -7.830
87 H CYS 13 H CYS 13 -0.603 2.140 -4.498
88 HA CYS 13 HA CYS 13 0.075 3.989 -2.313
89 HB2 CYS 13 HB2 CYS 13 -0.664 1.067 -2.065
90 HB3 CYS 13 HB3 CYS 13 -0.011 2.046 -0.756
91 H ALA 14 H ALA 14 1.429 3.125 -4.803
92 HA ALA 14 HA ALA 14 3.466 1.275 -4.315
93 HB1 ALA 14 HB1 ALA 14 3.498 3.651 -6.168
94 HB2 ALA 14 HB2 ALA 14 2.881 2.045 -6.551
95 HB3 ALA 14 HB3 ALA 14 4.601 2.278 -6.234
96 H SER 15 H SER 15 3.492 4.821 -3.989
97 HA SER 15 HA SER 15 6.165 4.934 -3.016
98 HB2 SER 15 HB2 SER 15 3.952 6.976 -2.704
99 HB3 SER 15 HB3 SER 15 5.681 7.270 -2.524
100 HG SER 15 HG SER 15 4.396 7.622 -4.679
101 H VAL 16 H VAL 16 3.022 4.572 -1.530
102 HA VAL 16 HA VAL 16 3.732 5.125 1.138
103 HB VAL 16 HB VAL 16 1.632 3.197 0.119
104 HG11 VAL 16 HG11 VAL 16 2.187 2.803 2.470
105 HG12 VAL 16 HG12 VAL 16 0.568 3.480 2.299
106 HG13 VAL 16 HG13 VAL 16 1.903 4.507 2.825
107 HG21 VAL 16 HG21 VAL 16 1.420 6.105 0.887
108 HG22 VAL 16 HG22 VAL 16 0.067 5.056 0.466
109 HG23 VAL 16 HG23 VAL 16 1.293 5.441 -0.742
110 H CYS 17 H CYS 17 3.490 2.023 -0.591
111 HA CYS 17 HA CYS 17 4.566 0.466 1.501
112 HB2 CYS 17 HB2 CYS 17 4.449 -0.077 -1.472
113 HB3 CYS 17 HB3 CYS 17 4.809 -1.277 -0.235
114 H ARG 18 H ARG 18 6.020 2.282 -1.103
115 HA ARG 18 HA ARG 18 8.624 1.204 -0.949
116 HB2 ARG 18 HB2 ARG 18 7.828 2.584 -2.830
117 HB3 ARG 18 HB3 ARG 18 7.735 3.979 -1.768
118 HG2 ARG 18 HG2 ARG 18 10.143 3.932 -1.458
119 HG3 ARG 18 HG3 ARG 18 10.258 2.493 -2.474
120 HD2 ARG 18 HD2 ARG 18 9.396 3.740 -4.372
121 HD3 ARG 18 HD3 ARG 18 9.197 5.173 -3.365
122 HE ARG 18 HE ARG 18 11.854 4.473 -3.157
123 HH11 ARG 18 HH11 ARG 18 9.669 5.346 -5.749
124 HH12 ARG 18 HH12 ARG 18 10.905 6.103 -6.704
125 HH21 ARG 18 HH21 ARG 18 13.480 5.472 -4.415
126 HH22 ARG 18 HH22 ARG 18 13.068 6.182 -5.946
127 H LYS 19 H LYS 19 6.928 3.644 0.896
128 HA LYS 19 HA LYS 19 9.282 4.453 2.348
129 HB2 LYS 19 HB2 LYS 19 7.467 6.049 1.954
130 HB3 LYS 19 HB3 LYS 19 6.360 5.027 2.859
131 HG2 LYS 19 HG2 LYS 19 7.552 5.426 4.896
132 HG3 LYS 19 HG3 LYS 19 8.832 6.278 4.033
133 HD2 LYS 19 HD2 LYS 19 7.390 7.888 5.092
134 HD3 LYS 19 HD3 LYS 19 7.175 7.982 3.346
135 HE2 LYS 19 HE2 LYS 19 5.149 6.599 3.541
136 HE3 LYS 19 HE3 LYS 19 5.359 6.566 5.292
137 HZ1 LYS 19 HZ1 LYS 19 3.799 8.256 4.582
138 HZ2 LYS 19 HZ2 LYS 19 4.945 8.990 3.696
139 HZ3 LYS 19 HZ3 LYS 19 5.087 8.934 5.313
140 H VAL 20 H VAL 20 6.488 2.369 2.900
141 HA VAL 20 HA VAL 20 7.094 1.838 5.627
142 HB VAL 20 HB VAL 20 5.401 0.215 3.722
143 HG11 VAL 20 HG11 VAL 20 6.125 -1.041 5.711
144 HG12 VAL 20 HG12 VAL 20 4.390 -0.740 5.707
145 HG13 VAL 20 HG13 VAL 20 5.448 0.222 6.738
146 HG21 VAL 20 HG21 VAL 20 4.629 2.363 5.694
147 HG22 VAL 20 HG22 VAL 20 3.509 1.386 4.746
148 HG23 VAL 20 HG23 VAL 20 4.602 2.507 3.937
149 H ILE 21 H ILE 21 7.183 -0.472 2.888
150 HA ILE 21 HA ILE 21 9.134 -2.007 4.445
151 HB ILE 21 HB ILE 21 8.597 -3.899 2.925
152 HG12 ILE 21 HG12 ILE 21 6.399 -2.065 1.942
153 HG13 ILE 21 HG13 ILE 21 7.796 -2.578 1.001
154 HG21 ILE 21 HG21 ILE 21 6.416 -4.377 3.927
155 HG22 ILE 21 HG22 ILE 21 6.269 -2.685 4.403
156 HG23 ILE 21 HG23 ILE 21 7.539 -3.690 5.101
157 HD11 ILE 21 HD11 ILE 21 5.606 -4.351 2.059
158 HD12 ILE 21 HD12 ILE 21 7.029 -4.906 1.180
159 HD13 ILE 21 HD13 ILE 21 5.852 -3.863 0.383
160 H GLY 22 H GLY 22 8.740 -0.379 1.358
161 HA2 GLY 22 HA2 GLY 22 10.990 0.575 0.712
162 HA3 GLY 22 HA3 GLY 22 11.552 -1.086 0.781
163 H VAL 23 H VAL 23 9.214 -2.240 -0.467
164 HA VAL 23 HA VAL 23 10.049 -1.846 -3.178
165 HB VAL 23 HB VAL 23 8.439 -3.545 -3.799
166 HG11 VAL 23 HG11 VAL 23 9.860 -4.259 -1.234
167 HG12 VAL 23 HG12 VAL 23 10.554 -4.297 -2.853
168 HG13 VAL 23 HG13 VAL 23 9.252 -5.406 -2.428
169 HG21 VAL 23 HG21 VAL 23 6.935 -4.569 -2.175
170 HG22 VAL 23 HG22 VAL 23 6.587 -2.851 -2.381
171 HG23 VAL 23 HG23 VAL 23 7.459 -3.409 -0.953
172 H ALA 24 H ALA 24 8.854 -1.051 -4.893
173 HA ALA 24 HA ALA 24 6.891 0.959 -4.100
174 HB1 ALA 24 HB1 ALA 24 7.306 1.963 -6.291
175 HB2 ALA 24 HB2 ALA 24 8.379 0.626 -6.705
176 HB3 ALA 24 HB3 ALA 24 8.812 1.733 -5.402
177 H ALA 25 H ALA 25 6.054 -1.679 -4.064
178 HA ALA 25 HA ALA 25 4.092 -1.651 -6.253
179 HB1 ALA 25 HB1 ALA 25 5.567 -3.601 -6.390
180 HB2 ALA 25 HB2 ALA 25 3.902 -4.060 -6.039
181 HB3 ALA 25 HB3 ALA 25 5.107 -4.060 -4.751
182 H GLY 26 H GLY 26 2.334 -0.805 -5.466
183 HA2 GLY 26 HA2 GLY 26 1.058 -1.943 -3.136
184 HA3 GLY 26 HA3 GLY 26 1.563 -0.268 -2.941
185 H LYS 27 H LYS 27 -1.018 -2.080 -3.606
186 HA LYS 27 HA LYS 27 -2.061 -0.266 -5.678
187 HB2 LYS 27 HB2 LYS 27 -2.863 -3.108 -5.034
188 HB3 LYS 27 HB3 LYS 27 -3.639 -2.091 -6.242
189 HG2 LYS 27 HG2 LYS 27 -1.557 -1.951 -7.485
190 HG3 LYS 27 HG3 LYS 27 -0.754 -2.946 -6.271
191 HD2 LYS 27 HD2 LYS 27 -1.360 -4.291 -8.197
192 HD3 LYS 27 HD3 LYS 27 -2.298 -4.788 -6.789
193 HE2 LYS 27 HE2 LYS 27 -4.227 -3.613 -7.579
194 HE3 LYS 27 HE3 LYS 27 -3.306 -2.879 -8.889
195 HZ1 LYS 27 HZ1 LYS 27 -3.016 -5.076 -9.807
196 HZ2 LYS 27 HZ2 LYS 27 -4.595 -4.725 -9.666
197 HZ3 LYS 27 HZ3 LYS 27 -3.894 -5.736 -8.608
198 H CYS 28 H CYS 28 -4.346 0.200 -5.594
199 HA CYS 28 HA CYS 28 -5.154 0.741 -2.833
200 HB2 CYS 28 HB2 CYS 28 -5.012 2.660 -4.358
201 HB3 CYS 28 HB3 CYS 28 -6.162 1.891 -5.447
202 H ILE 29 H ILE 29 -6.511 -0.666 -1.949
203 HA ILE 29 HA ILE 29 -8.669 -1.757 -3.643
204 HB ILE 29 HB ILE 29 -7.270 -3.150 -1.353
205 HG12 ILE 29 HG12 ILE 29 -7.395 -3.805 -4.307
206 HG13 ILE 29 HG13 ILE 29 -5.994 -3.156 -3.461
207 HG21 ILE 29 HG21 ILE 29 -8.740 -5.046 -1.845
208 HG22 ILE 29 HG22 ILE 29 -9.589 -4.071 -3.045
209 HG23 ILE 29 HG23 ILE 29 -9.656 -3.625 -1.340
210 HD11 ILE 29 HD11 ILE 29 -5.780 -5.543 -3.847
211 HD12 ILE 29 HD12 ILE 29 -7.273 -5.831 -2.952
212 HD13 ILE 29 HD13 ILE 29 -5.858 -5.183 -2.122
213 H ASN 30 H ASN 30 -10.354 -0.520 -3.115
214 HA ASN 30 HA ASN 30 -12.017 0.469 -1.950
215 HB2 ASN 30 HB2 ASN 30 -11.380 -1.767 -0.024
216 HB3 ASN 30 HB3 ASN 30 -12.808 -0.752 0.053
217 HD21 ASN 30 HD21 ASN 30 -12.515 -3.632 -0.331
218 HD22 ASN 30 HD22 ASN 30 -13.354 -3.998 -1.791
219 H GLY 31 H GLY 31 -9.442 1.617 -1.575
220 HA2 GLY 31 HA2 GLY 31 -8.740 3.454 -0.324
221 HA3 GLY 31 HA3 GLY 31 -9.988 3.091 0.860
222 H ARG 32 H ARG 32 -7.907 0.531 -0.117
223 HA ARG 32 HA ARG 32 -6.300 0.861 2.325
224 HB2 ARG 32 HB2 ARG 32 -7.334 -1.721 1.135
225 HB3 ARG 32 HB3 ARG 32 -6.236 -1.608 2.503
226 HG2 ARG 32 HG2 ARG 32 -9.057 -0.560 2.419
227 HG3 ARG 32 HG3 ARG 32 -8.518 -2.035 3.220
228 HD2 ARG 32 HD2 ARG 32 -6.985 -0.617 4.596
229 HD3 ARG 32 HD3 ARG 32 -7.768 0.798 3.900
230 HE ARG 32 HE ARG 32 -9.597 -1.071 5.097
231 HH11 ARG 32 HH11 ARG 32 -7.513 1.673 5.684
232 HH12 ARG 32 HH12 ARG 32 -8.363 2.181 7.106
233 HH21 ARG 32 HH21 ARG 32 -10.736 -0.403 6.960
234 HH22 ARG 32 HH22 ARG 32 -10.203 1.000 7.831
235 H CYS 33 H CYS 33 -4.183 -0.106 2.239
236 HA CYS 33 HA CYS 33 -3.090 0.005 -0.483
237 HB2 CYS 33 HB2 CYS 33 -1.828 0.634 2.189
238 HB3 CYS 33 HB3 CYS 33 -0.928 0.561 0.678
239 H VAL 34 H VAL 34 -2.874 -2.007 -1.241
240 HA VAL 34 HA VAL 34 -1.819 -4.070 0.536
241 HB VAL 34 HB VAL 34 -3.672 -4.819 -0.781
242 HG11 VAL 34 HG11 VAL 34 -2.139 -3.810 -3.139
243 HG12 VAL 34 HG12 VAL 34 -3.736 -3.315 -2.582
244 HG13 VAL 34 HG13 VAL 34 -3.500 -4.922 -3.274
245 HG21 VAL 34 HG21 VAL 34 -1.115 -5.957 -1.882
246 HG22 VAL 34 HG22 VAL 34 -2.698 -6.730 -1.952
247 HG23 VAL 34 HG23 VAL 34 -1.921 -6.453 -0.394
248 H CYS 35 H CYS 35 0.263 -4.163 0.749
249 HA CYS 35 HA CYS 35 2.037 -3.175 -1.322
250 HB2 CYS 35 HB2 CYS 35 2.618 -4.305 1.426
251 HB3 CYS 35 HB3 CYS 35 3.811 -3.579 0.354
252 H TYR 36 H TYR 36 3.423 -4.388 -2.533
253 HA TYR 36 HA TYR 36 3.099 -7.314 -2.299
254 HB2 TYR 36 HB2 TYR 36 3.336 -5.570 -4.742
255 HB3 TYR 36 HB3 TYR 36 3.622 -7.304 -4.797
256 HD1 TYR 36 HD1 TYR 36 1.048 -4.718 -4.117
257 HD2 TYR 36 HD2 TYR 36 1.831 -8.835 -4.839
258 HE1 TYR 36 HE1 TYR 36 -1.350 -5.117 -4.427
259 HE2 TYR 36 HE2 TYR 36 -0.569 -9.240 -5.150
260 HH TYR 36 HH TYR 36 -2.733 -8.146 -4.412
261 HA PRO 37 HA PRO 37 7.595 -6.686 -1.839
262 HB2 PRO 37 HB2 PRO 37 7.946 -8.533 0.094
263 HB3 PRO 37 HB3 PRO 37 7.431 -6.880 0.440
264 HG2 PRO 37 HG2 PRO 37 5.838 -9.388 0.372
265 HG3 PRO 37 HG3 PRO 37 5.654 -7.959 1.400
266 HD2 PRO 37 HD2 PRO 37 4.129 -8.550 -0.851
267 HD3 PRO 37 HD3 PRO 37 4.255 -6.960 -0.077