Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
655785 | 6xn9 RC | 30767 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PGL 1 -8.849 6.774 2.496
2 HA PCA 1 HA PGL 1 -7.147 8.510 1.915
3 HB2 PCA 1 HB1 PGL 1 -7.263 10.217 3.445
4 HB3 PCA 1 HB2 PGL 1 -6.290 9.204 4.547
5 HG2 PCA 1 HG1 PGL 1 -9.159 9.818 4.676
6 HG3 PCA 1 HG2 PGL 1 -8.124 8.965 5.875
7 H GLU 2 H GLU 2 -7.228 5.997 4.207
8 HA GLU 2 HA GLU 2 -4.323 5.580 4.024
9 HB2 GLU 2 HB2 GLU 2 -6.224 4.476 6.082
10 HB3 GLU 2 HB1 GLU 2 -4.478 4.342 6.077
11 HG2 GLU 2 HG2 GLU 2 -4.262 6.715 6.465
12 HG3 GLU 2 HG1 GLU 2 -6.014 6.906 6.371
13 H ALA 3 H ALA 3 -4.216 4.269 2.246
14 HA ALA 3 HA ALA 3 -5.952 1.984 2.030
15 HB1 ALA 3 HB1 ALA 3 -3.518 2.771 0.409
16 HB2 ALA 3 HB2 ALA 3 -5.192 3.126 -0.015
17 HB3 ALA 3 HB3 ALA 3 -4.628 1.456 0.024
18 H PHE 4 H PHE 4 -4.927 -0.194 1.863
19 HA PHE 4 HA PHE 4 -3.347 -0.583 4.231
20 HB2 PHE 4 HB2 PHE 4 -4.296 -2.586 2.189
21 HB3 PHE 4 HB1 PHE 4 -3.660 -2.962 3.780
22 HD1 PHE 4 HD1 PHE 4 -6.525 -2.624 1.909
23 HD2 PHE 4 HD2 PHE 4 -5.005 -1.684 5.763
24 HE1 PHE 4 HE1 PHE 4 -8.813 -2.504 2.781
25 HE2 PHE 4 HE2 PHE 4 -7.290 -1.572 6.639
26 HZ PHE 4 HZ PHE 4 -9.202 -1.992 5.136
27 H CYS 5 H CYS 5 -1.233 -1.015 4.310
28 HA CYS 5 HA CYS 5 0.158 -0.858 1.760
29 HB2 CYS 5 HB2 CYS 5 1.036 -0.019 4.500
30 HB3 CYS 5 HB1 CYS 5 2.022 0.077 3.040
31 H TYR 6 H TYR 6 1.178 -2.442 1.097
32 HA TYR 6 HA TYR 6 2.218 -4.505 2.929
33 HB2 TYR 6 HB2 TYR 6 1.449 -4.784 0.034
34 HB3 TYR 6 HB1 TYR 6 1.856 -6.088 1.150
35 HD1 TYR 6 HD1 TYR 6 -0.785 -3.835 0.030
36 HD2 TYR 6 HD2 TYR 6 0.284 -6.752 2.924
37 HE1 TYR 6 HE1 TYR 6 -3.111 -4.010 0.698
38 HE2 TYR 6 HE2 TYR 6 -2.048 -6.938 3.597
39 HH TYR 6 HH TYR 6 -4.647 -5.403 1.871
40 H SER 7 H SER 7 4.249 -4.399 3.062
41 HA SER 7 HA SER 7 5.919 -2.652 1.647
42 HB2 SER 7 HB2 SER 7 6.564 -5.108 3.217
43 HB3 SER 7 HB1 SER 7 7.760 -3.864 2.779
44 HG SER 7 HG SER 7 6.952 -3.530 4.861
45 H ASP 8 H ASP 8 4.945 -5.843 0.928
46 HA ASP 8 HA ASP 8 6.999 -6.151 -1.148
47 HB2 ASP 8 HB2 ASP 8 6.864 -7.918 0.566
48 HB3 ASP 8 HB1 ASP 8 5.179 -8.181 0.151
49 H ARG 9 H ARG 9 6.244 -6.828 -3.281
50 HA ARG 9 HA ARG 9 3.779 -5.445 -3.879
51 HB2 ARG 9 HB2 ARG 9 5.628 -6.789 -5.850
52 HB3 ARG 9 HB1 ARG 9 4.274 -5.759 -6.255
53 HG2 ARG 9 HG2 ARG 9 6.051 -4.333 -6.548
54 HG3 ARG 9 HG1 ARG 9 5.612 -3.974 -4.878
55 HD2 ARG 9 HD2 ARG 9 8.042 -4.265 -5.179
56 HD3 ARG 9 HD1 ARG 9 7.353 -5.457 -4.071
57 HE ARG 9 HE ARG 9 7.405 -6.392 -6.759
58 HH11 ARG 9 HH11 ARG 9 9.531 -5.960 -3.961
59 HH12 ARG 9 HH12 ARG 9 10.533 -7.275 -4.367
60 HH21 ARG 9 HH21 ARG 9 8.767 -8.158 -7.302
61 HH22 ARG 9 HH22 ARG 9 10.107 -8.544 -6.328
62 H PHE 10 H PHE 10 4.481 -8.601 -3.062
63 HA PHE 10 HA PHE 10 2.408 -9.630 -4.743
64 HB2 PHE 10 HB2 PHE 10 4.193 -11.002 -2.722
65 HB3 PHE 10 HB1 PHE 10 2.928 -11.835 -3.620
66 HD1 PHE 10 HD1 PHE 10 3.172 -12.236 -6.007
67 HD2 PHE 10 HD2 PHE 10 6.225 -10.309 -3.769
68 HE1 PHE 10 HE1 PHE 10 4.751 -12.616 -7.851
69 HE2 PHE 10 HE2 PHE 10 7.821 -10.682 -5.614
70 HZ PHE 10 HZ PHE 10 7.083 -11.835 -7.656
71 H CYS 11 H CYS 11 2.308 -7.775 -2.182
72 HA CYS 11 HA CYS 11 0.491 -6.992 -1.030
73 HB2 CYS 11 HB2 CYS 11 -0.997 -9.239 -2.365
74 HB3 CYS 11 HB1 CYS 11 -1.720 -7.906 -1.480
75 H GLN 12 H GLN 12 2.102 -9.591 -0.079
76 HA GLN 12 HA GLN 12 0.053 -10.305 1.879
77 HB2 GLN 12 HB2 GLN 12 2.304 -12.014 0.848
78 HB3 GLN 12 HB1 GLN 12 1.172 -12.477 2.108
79 HG2 GLN 12 HG2 GLN 12 0.424 -11.783 -0.721
80 HG3 GLN 12 HG1 GLN 12 0.541 -13.416 -0.063
81 HE21 GLN 12 1HE2 GLN 12 -1.750 -11.958 -1.201
82 HE22 GLN 12 2HE2 GLN 12 -2.962 -11.963 0.019
83 H ASN 13 H ASN 13 2.357 -8.244 1.920
84 HA ASN 13 HA ASN 13 3.135 -9.034 4.643
85 HB2 ASN 13 HB2 ASN 13 4.862 -7.413 2.736
86 HB3 ASN 13 HB1 ASN 13 5.193 -7.585 4.450
87 HD21 ASN 13 HD21 ASN 13 6.969 -8.305 2.413
88 HD22 ASN 13 HD22 ASN 13 7.201 -10.009 2.472
89 H TYR 14 H TYR 14 1.390 -8.081 5.510
90 HA TYR 14 HA TYR 14 0.669 -5.351 4.937
91 HB2 TYR 14 HB2 TYR 14 -1.028 -7.087 5.431
92 HB3 TYR 14 HB1 TYR 14 -0.345 -7.292 7.029
93 HD1 TYR 14 HD1 TYR 14 -2.277 -5.000 4.866
94 HD2 TYR 14 HD2 TYR 14 -0.926 -5.801 8.816
95 HE1 TYR 14 HE1 TYR 14 -3.854 -3.354 5.736
96 HE2 TYR 14 HE2 TYR 14 -2.505 -4.138 9.697
97 HH TYR 14 HH TYR 14 -3.756 -2.137 8.902
98 H ILE 15 H ILE 15 1.721 -3.694 5.813
99 HA ILE 15 HA ILE 15 2.886 -4.070 8.489
100 HB ILE 15 HB ILE 15 4.210 -2.014 8.051
101 HG12 ILE 15 HG12 ILE 15 3.224 -2.324 5.196
102 HG13 ILE 15 HG11 ILE 15 2.705 -1.061 6.301
103 HG21 ILE 15 HG21 ILE 15 5.818 -3.106 6.551
104 HG22 ILE 15 HG22 ILE 15 4.591 -4.303 6.137
105 HG23 ILE 15 HG23 ILE 15 5.195 -4.194 7.790
106 HD11 ILE 15 HD11 ILE 15 5.506 -1.473 5.272
107 HD12 ILE 15 HD12 ILE 15 4.988 -0.193 6.372
108 HD13 ILE 15 HD13 ILE 15 4.362 -0.247 4.724
109 H GLY 16 H GLY 16 0.259 -2.751 6.998
110 HA2 GLY 16 HA2 GLY 16 -1.244 -1.883 8.854
111 HA3 GLY 16 HA1 GLY 16 0.000 -0.639 8.994
112 H SER 17 H SER 17 -1.734 0.843 8.468
113 HA SER 17 HA SER 17 -2.016 1.085 5.574
114 HB2 SER 17 HB2 SER 17 -4.331 2.053 6.095
115 HB3 SER 17 HB1 SER 17 -4.162 0.312 6.301
116 HG SER 17 HG SER 17 -4.431 2.328 8.261
117 H ILE 18 H ILE 18 -1.412 3.090 4.854
118 HA ILE 18 HA ILE 18 -1.441 5.352 6.660
119 HB ILE 18 HB ILE 18 0.953 5.949 5.938
120 HG12 ILE 18 HG12 ILE 18 1.062 2.968 5.448
121 HG13 ILE 18 HG11 ILE 18 1.213 4.227 4.235
122 HG21 ILE 18 HG21 ILE 18 0.447 5.482 8.231
123 HG22 ILE 18 HG22 ILE 18 1.996 4.750 7.810
124 HG23 ILE 18 HG23 ILE 18 0.549 3.748 7.933
125 HD11 ILE 18 HD11 ILE 18 3.362 3.260 4.805
126 HD12 ILE 18 HD12 ILE 18 3.123 3.707 6.496
127 HD13 ILE 18 HD13 ILE 18 3.292 4.962 5.262
128 HA PRO 19 HA PRO 19 -2.350 7.317 2.790
129 HB2 PRO 19 HB2 PRO 19 -2.230 9.883 3.534
130 HB3 PRO 19 HB1 PRO 19 -3.499 8.807 4.138
131 HG2 PRO 19 HG2 PRO 19 -1.014 9.764 5.478
132 HG3 PRO 19 HG1 PRO 19 -2.632 9.524 6.155
133 HD2 PRO 19 HD2 PRO 19 -0.531 7.746 6.422
134 HD3 PRO 19 HD1 PRO 19 -2.244 7.325 6.593
135 H ASP 20 H ASP 20 0.636 7.380 4.197
136 HA ASP 20 HA ASP 20 1.899 8.776 1.929
137 HB2 ASP 20 HB2 ASP 20 3.810 9.228 3.408
138 HB3 ASP 20 HB1 ASP 20 2.337 9.852 4.132
139 H CYS 21 H CYS 21 0.924 6.270 1.824
140 HA CYS 21 HA CYS 21 2.475 4.081 2.578
141 HB2 CYS 21 HB2 CYS 21 0.074 4.206 1.716
142 HB3 CYS 21 HB1 CYS 21 0.777 4.195 0.103
143 H CYS 22 H CYS 22 2.790 6.205 -0.190
144 HA CYS 22 HA CYS 22 4.571 4.366 -1.513
145 HB2 CYS 22 HB2 CYS 22 3.464 7.026 -2.367
146 HB3 CYS 22 HB1 CYS 22 4.497 6.000 -3.360
147 H PHE 23 H PHE 23 5.141 6.281 0.944
148 HA PHE 23 HA PHE 23 7.573 7.443 -0.135
149 HB2 PHE 23 HB2 PHE 23 6.144 7.855 2.490
150 HB3 PHE 23 HB1 PHE 23 7.730 8.548 2.146
151 HD1 PHE 23 HD1 PHE 23 4.164 8.610 1.231
152 HD2 PHE 23 HD2 PHE 23 7.968 10.416 0.681
153 HE1 PHE 23 HE1 PHE 23 3.087 10.520 0.106
154 HE2 PHE 23 HE2 PHE 23 6.907 12.326 -0.441
155 HZ PHE 23 HZ PHE 23 4.461 12.381 -0.731
156 H GLY 24 H GLY 24 7.062 4.605 0.350
157 HA2 GLY 24 HA2 GLY 24 9.653 3.914 1.205
158 HA3 GLY 24 HA1 GLY 24 8.411 3.404 2.362
159 H ARG 25 H ARG 25 9.399 1.272 1.470
160 HA ARG 25 HA ARG 25 8.495 0.375 -1.077
161 HB2 ARG 25 HB2 ARG 25 9.072 -1.254 1.415
162 HB3 ARG 25 HB1 ARG 25 8.931 -1.886 -0.213
163 HG2 ARG 25 HG2 ARG 25 10.942 -0.684 -0.865
164 HG3 ARG 25 HG1 ARG 25 11.076 -0.011 0.766
165 HD2 ARG 25 HD2 ARG 25 11.178 -2.346 1.636
166 HD3 ARG 25 HD1 ARG 25 11.212 -2.912 -0.028
167 HE ARG 25 HE ARG 25 13.273 -1.270 -0.046
168 HH11 ARG 25 HH11 ARG 25 12.370 -3.731 2.333
169 HH12 ARG 25 HH12 ARG 25 13.961 -4.070 2.816
170 HH21 ARG 25 HH21 ARG 25 15.478 -1.746 0.625
171 HH22 ARG 25 HH22 ARG 25 15.765 -2.901 1.847
172 H GLY 26 H GLY 26 6.430 -0.146 -1.614
173 HA2 GLY 26 HA2 GLY 26 4.691 -1.395 0.185
174 HA3 GLY 26 HA1 GLY 26 4.367 0.327 0.165
175 H SER 27 H SER 27 2.920 -2.022 -0.644
176 HA SER 27 HA SER 27 2.039 -1.063 -3.257
177 HB2 SER 27 HB2 SER 27 1.628 -3.813 -2.049
178 HB3 SER 27 HB1 SER 27 1.351 -3.315 -3.717
179 HG SER 27 HG SER 27 3.617 -4.101 -2.448
180 H TYR 28 H TYR 28 -0.086 -0.474 -3.148
181 HA TYR 28 HA TYR 28 -1.358 -0.880 -0.547
182 HB2 TYR 28 HB2 TYR 28 -2.468 1.311 -0.755
183 HB3 TYR 28 HB1 TYR 28 -0.720 1.456 -0.706
184 HD1 TYR 28 HD1 TYR 28 -3.740 2.040 -2.662
185 HD2 TYR 28 HD2 TYR 28 0.515 2.072 -2.768
186 HE1 TYR 28 HE1 TYR 28 -3.803 3.373 -4.717
187 HE2 TYR 28 HE2 TYR 28 0.470 3.387 -4.793
188 HH TYR 28 HH TYR 28 -1.026 3.808 -6.640
189 H SER 29 H SER 29 -3.433 -1.354 -0.442
190 HA SER 29 HA SER 29 -5.022 -1.422 -2.853
191 HB2 SER 29 HB2 SER 29 -5.761 -3.746 -2.340
192 HB3 SER 29 HB1 SER 29 -4.046 -3.673 -2.744
193 HG SER 29 HG SER 29 -5.141 -4.644 -0.526
194 H PHE 30 H PHE 30 -7.338 -2.047 -2.137
195 HA PHE 30 HA PHE 30 -7.853 -0.646 0.376
196 HB2 PHE 30 HB2 PHE 30 -9.643 -1.007 -2.051
197 HB3 PHE 30 HB1 PHE 30 -10.021 -0.048 -0.622
198 HD1 PHE 30 HD1 PHE 30 -8.274 -0.121 -3.800
199 HD2 PHE 30 HD2 PHE 30 -8.703 2.023 -0.147
200 HE1 PHE 30 HE1 PHE 30 -7.165 1.841 -4.816
201 HE2 PHE 30 HE2 PHE 30 -7.609 3.971 -1.171
202 HZ PHE 30 HZ PHE 30 -6.841 3.882 -3.495
203 H GLU 31 H GLU 31 -7.268 -3.507 -0.381
204 HA GLU 31 HA GLU 31 -9.427 -4.745 1.150
205 HB2 GLU 31 HB2 GLU 31 -9.810 -5.215 -1.249
206 HB3 GLU 31 HB1 GLU 31 -8.179 -5.848 -1.384
207 HG2 GLU 31 HG2 GLU 31 -9.882 -7.609 -1.275
208 HG3 GLU 31 HG1 GLU 31 -8.730 -7.691 0.057
209 H LEU 32 H LEU 32 -8.740 -6.693 2.246
210 HA LEU 32 HA LEU 32 -6.047 -6.390 3.247
211 HB2 LEU 32 HB2 LEU 32 -8.298 -8.169 4.133
212 HB3 LEU 32 HB1 LEU 32 -6.742 -8.064 4.929
213 HG LEU 32 HG LEU 32 -8.747 -5.824 4.675
214 HD11 LEU 32 HD11 LEU 32 -9.426 -7.553 6.240
215 HD12 LEU 32 HD12 LEU 32 -8.959 -6.073 7.087
216 HD13 LEU 32 HD13 LEU 32 -7.854 -7.451 7.034
217 HD21 LEU 32 HD21 LEU 32 -6.466 -4.977 4.639
218 HD22 LEU 32 HD22 LEU 32 -6.078 -5.922 6.076
219 HD23 LEU 32 HD23 LEU 32 -7.251 -4.608 6.169
220 H GLN 33 H GLN 33 -4.460 -7.331 2.491
221 HA GLN 33 HA GLN 33 -3.129 -8.618 1.253
222 HB2 GLN 33 HB2 GLN 33 -4.324 -10.621 3.157
223 HB3 GLN 33 HB1 GLN 33 -2.892 -10.941 2.187
224 HG2 GLN 33 HG2 GLN 33 -1.742 -9.063 3.242
225 HG3 GLN 33 HG1 GLN 33 -3.177 -8.718 4.200
226 HE21 GLN 33 1HE2 GLN 33 -3.715 -11.540 4.740
227 HE22 GLN 33 2HE2 GLN 33 -2.524 -12.028 5.893
228 HA PRO 34 HA PRO 34 -6.097 -10.424 -1.788
229 HB2 PRO 34 HB2 PRO 34 -5.984 -8.556 -3.696
230 HB3 PRO 34 HB1 PRO 34 -6.951 -8.279 -2.243
231 HG2 PRO 34 HG2 PRO 34 -4.228 -7.253 -2.930
232 HG3 PRO 34 HG1 PRO 34 -5.594 -6.393 -2.196
233 HD2 PRO 34 HD2 PRO 34 -3.476 -7.453 -0.773
234 HD3 PRO 34 HD1 PRO 34 -5.078 -7.129 -0.105
235 HA PRO 35 HA PRO 35 -2.924 -12.132 -4.508
236 HB2 PRO 35 HB2 PRO 35 -3.966 -11.670 -7.053
237 HB3 PRO 35 HB1 PRO 35 -4.350 -13.062 -6.039
238 HG2 PRO 35 HG2 PRO 35 -5.868 -10.526 -6.436
239 HG3 PRO 35 HG1 PRO 35 -6.479 -12.181 -6.273
240 HD2 PRO 35 HD2 PRO 35 -6.613 -10.460 -4.240
241 HD3 PRO 35 HD1 PRO 35 -6.240 -12.171 -3.965
242 HA PRO 36 HA PRO 36 0.101 -9.058 -5.363
243 HB2 PRO 36 HB2 PRO 36 0.956 -10.006 -7.894
244 HB3 PRO 36 HB1 PRO 36 1.664 -10.392 -6.334
245 HG2 PRO 36 HG2 PRO 36 -0.303 -11.918 -7.951
246 HG3 PRO 36 HG1 PRO 36 0.957 -12.514 -6.858
247 HD2 PRO 36 HD2 PRO 36 -1.596 -12.598 -6.152
248 HD3 PRO 36 HD1 PRO 36 -0.356 -12.141 -4.961
249 H TRP 37 H TRP 37 -1.981 -9.735 -8.096
250 HA TRP 37 HA TRP 37 -1.238 -7.355 -9.489
251 HB2 TRP 37 HB2 TRP 37 -3.099 -8.031 -11.062
252 HB3 TRP 37 HB1 TRP 37 -1.754 -9.148 -10.897
253 HD1 TRP 37 HD TRP 37 -5.473 -8.785 -9.796
254 HE1 TRP 37 HE1 TRP 37 -6.388 -11.142 -9.360
255 HE3 TRP 37 3HE TRP 37 -1.157 -11.483 -10.351
256 HZ2 TRP 37 HZ2 TRP 37 -5.429 -13.791 -9.255
257 HZ3 TRP 37 HZ3 TRP 37 -1.248 -13.921 -10.061
258 HH2 TRP 37 HH TRP 37 -3.346 -15.047 -9.523
259 H GLU 38 H GLU 38 -3.399 -7.844 -6.952
260 HA GLU 38 HA GLU 38 -5.295 -5.864 -7.895
261 HB2 GLU 38 HB2 GLU 38 -5.198 -7.534 -5.404
262 HB3 GLU 38 HB1 GLU 38 -6.460 -6.353 -5.746
263 HG2 GLU 38 HG2 GLU 38 -5.787 -8.686 -7.507
264 HG3 GLU 38 HG1 GLU 38 -7.092 -8.698 -6.328
265 H CYS 39 H CYS 39 -2.412 -5.792 -6.241
266 HA CYS 39 HA CYS 39 -3.128 -3.387 -4.741
267 HB2 CYS 39 HB2 CYS 39 -0.489 -4.847 -4.896
268 HB3 CYS 39 HB1 CYS 39 -0.862 -3.488 -3.844
269 H TYR 40 H TYR 40 -1.867 -1.477 -5.016
270 HA TYR 40 HA TYR 40 -0.768 -1.183 -7.717
271 HB2 TYR 40 HB2 TYR 40 -1.502 0.956 -5.701
272 HB3 TYR 40 HB1 TYR 40 -1.055 1.203 -7.379
273 HD1 TYR 40 HD1 TYR 40 -3.702 0.115 -5.095
274 HD2 TYR 40 HD2 TYR 40 -2.677 0.902 -9.144
275 HE1 TYR 40 HE1 TYR 40 -6.075 0.112 -5.683
276 HE2 TYR 40 HE2 TYR 40 -5.050 0.903 -9.747
277 HH TYR 40 HH TYR 40 -7.185 -0.085 -8.809
278 H GLN 41 H GLN 41 1.429 -1.094 -7.773
279 HA GLN 41 HA GLN 41 2.805 -1.010 -5.239
280 HB2 GLN 41 HB2 GLN 41 4.853 -1.542 -6.485
281 HB3 GLN 41 HB1 GLN 41 3.572 -2.672 -6.867
282 HG2 GLN 41 HG2 GLN 41 3.191 -1.535 -8.994
283 HG3 GLN 41 HG1 GLN 41 4.444 -0.360 -8.595
284 HE21 GLN 41 1HE2 GLN 41 5.724 -0.886 -10.323
285 HE22 GLN 41 2HE2 GLN 41 6.599 -2.364 -10.454
286 H CYS 42 H CYS 42 3.893 0.635 -4.439
287 HA CYS 42 HA CYS 42 3.620 3.163 -5.685
288 HB2 CYS 42 HB2 CYS 42 5.045 2.294 -3.180
289 HB3 CYS 42 HB1 CYS 42 4.914 3.969 -3.705
Start of MODEL 2
1 H PCA 1 H PGL 1 -10.073 3.227 3.583
2 HA PCA 1 HA PGL 1 -10.489 5.782 3.432
3 HB2 PCA 1 HB1 PGL 1 -11.060 6.683 5.438
4 HB3 PCA 1 HB2 PGL 1 -9.457 6.240 6.091
5 HG2 PCA 1 HG1 PGL 1 -11.997 4.987 6.656
6 HG3 PCA 1 HG2 PGL 1 -10.364 4.502 7.233
7 H GLU 2 H GLU 2 -8.097 3.685 4.843
8 HA GLU 2 HA GLU 2 -6.017 5.455 3.765
9 HB2 GLU 2 HB2 GLU 2 -5.753 3.519 6.072
10 HB3 GLU 2 HB1 GLU 2 -4.514 4.614 5.476
11 HG2 GLU 2 HG2 GLU 2 -5.933 6.520 6.127
12 HG3 GLU 2 HG1 GLU 2 -7.102 5.385 6.795
13 H ALA 3 H ALA 3 -4.225 4.360 2.787
14 HA ALA 3 HA ALA 3 -5.066 1.994 1.414
15 HB1 ALA 3 HB1 ALA 3 -3.887 3.820 0.247
16 HB2 ALA 3 HB2 ALA 3 -3.043 2.285 0.122
17 HB3 ALA 3 HB3 ALA 3 -2.463 3.518 1.245
18 H PHE 4 H PHE 4 -4.374 -0.004 1.775
19 HA PHE 4 HA PHE 4 -2.844 -0.504 4.175
20 HB2 PHE 4 HB2 PHE 4 -4.105 -2.409 2.190
21 HB3 PHE 4 HB1 PHE 4 -3.387 -2.881 3.720
22 HD1 PHE 4 HD1 PHE 4 -4.452 -1.853 5.865
23 HD2 PHE 4 HD2 PHE 4 -6.320 -1.890 2.054
24 HE1 PHE 4 HE1 PHE 4 -6.612 -1.527 6.930
25 HE2 PHE 4 HE2 PHE 4 -8.500 -1.565 3.128
26 HZ PHE 4 HZ PHE 4 -8.644 -1.384 5.574
27 H CYS 5 H CYS 5 -0.761 -0.771 4.121
28 HA CYS 5 HA CYS 5 0.517 -0.945 1.516
29 HB2 CYS 5 HB2 CYS 5 1.673 -0.182 4.184
30 HB3 CYS 5 HB1 CYS 5 2.466 -0.060 2.617
31 H TYR 6 H TYR 6 1.619 -2.598 0.952
32 HA TYR 6 HA TYR 6 2.476 -4.607 2.935
33 HB2 TYR 6 HB2 TYR 6 1.715 -5.177 0.053
34 HB3 TYR 6 HB1 TYR 6 2.067 -6.335 1.316
35 HD1 TYR 6 HD1 TYR 6 -0.464 -4.012 0.022
36 HD2 TYR 6 HD2 TYR 6 0.399 -6.970 2.946
37 HE1 TYR 6 HE1 TYR 6 -2.821 -4.128 0.580
38 HE2 TYR 6 HE2 TYR 6 -1.967 -7.094 3.524
39 HH TYR 6 HH TYR 6 -4.409 -5.449 1.634
40 H SER 7 H SER 7 4.560 -4.817 2.986
41 HA SER 7 HA SER 7 6.102 -3.298 1.109
42 HB2 SER 7 HB2 SER 7 8.000 -4.024 2.618
43 HB3 SER 7 HB1 SER 7 6.648 -3.151 3.369
44 HG SER 7 HG SER 7 7.288 -5.884 3.563
45 H ASP 8 H ASP 8 4.735 -6.086 0.883
46 HA ASP 8 HA ASP 8 6.812 -7.382 -0.721
47 HB2 ASP 8 HB2 ASP 8 6.159 -8.799 1.102
48 HB3 ASP 8 HB1 ASP 8 4.456 -8.484 0.805
49 H ARG 9 H ARG 9 6.289 -7.855 -2.807
50 HA ARG 9 HA ARG 9 4.124 -6.338 -3.942
51 HB2 ARG 9 HB2 ARG 9 6.391 -7.879 -5.182
52 HB3 ARG 9 HB1 ARG 9 5.066 -7.275 -6.156
53 HG2 ARG 9 HG2 ARG 9 6.908 -5.742 -6.282
54 HG3 ARG 9 HG1 ARG 9 5.590 -4.986 -5.400
55 HD2 ARG 9 HD2 ARG 9 6.752 -5.573 -3.281
56 HD3 ARG 9 HD1 ARG 9 8.091 -6.204 -4.241
57 HE ARG 9 HE ARG 9 7.376 -3.513 -4.887
58 HH11 ARG 9 HH11 ARG 9 9.243 -5.437 -2.569
59 HH12 ARG 9 HH12 ARG 9 10.429 -4.239 -2.338
60 HH21 ARG 9 HH21 ARG 9 8.990 -1.866 -4.499
61 HH22 ARG 9 HH22 ARG 9 10.282 -2.186 -3.440
62 H PHE 10 H PHE 10 4.240 -9.399 -2.687
63 HA PHE 10 HA PHE 10 2.281 -10.359 -4.600
64 HB2 PHE 10 HB2 PHE 10 3.633 -11.842 -2.337
65 HB3 PHE 10 HB1 PHE 10 2.587 -12.549 -3.558
66 HD1 PHE 10 HD1 PHE 10 5.914 -11.837 -2.643
67 HD2 PHE 10 HD2 PHE 10 3.374 -12.282 -6.026
68 HE1 PHE 10 HE1 PHE 10 7.874 -12.252 -4.058
69 HE2 PHE 10 HE2 PHE 10 5.333 -12.694 -7.440
70 HZ PHE 10 HZ PHE 10 7.585 -12.678 -6.460
71 H CYS 11 H CYS 11 2.309 -8.392 -2.157
72 HA CYS 11 HA CYS 11 0.703 -7.497 -0.804
73 HB2 CYS 11 HB2 CYS 11 -1.113 -9.666 -1.883
74 HB3 CYS 11 HB1 CYS 11 -1.600 -8.190 -1.061
75 H GLN 12 H GLN 12 2.403 -9.984 -0.033
76 HA GLN 12 HA GLN 12 0.578 -11.105 1.943
77 HB2 GLN 12 HB2 GLN 12 3.243 -12.112 0.997
78 HB3 GLN 12 HB1 GLN 12 2.253 -12.903 2.214
79 HG2 GLN 12 HG2 GLN 12 1.452 -12.399 -0.649
80 HG3 GLN 12 HG1 GLN 12 1.988 -13.940 0.014
81 HE21 GLN 12 1HE2 GLN 12 0.520 -13.627 2.520
82 HE22 GLN 12 2HE2 GLN 12 -1.137 -13.864 2.136
83 H ASN 13 H ASN 13 2.703 -8.609 2.010
84 HA ASN 13 HA ASN 13 3.292 -9.210 4.830
85 HB2 ASN 13 HB2 ASN 13 5.163 -7.848 2.881
86 HB3 ASN 13 HB1 ASN 13 5.368 -7.733 4.618
87 HD21 ASN 13 HD21 ASN 13 4.624 -10.410 5.233
88 HD22 ASN 13 HD22 ASN 13 5.864 -11.454 4.648
89 H TYR 14 H TYR 14 1.559 -8.183 5.577
90 HA TYR 14 HA TYR 14 0.894 -5.522 4.786
91 HB2 TYR 14 HB2 TYR 14 -0.858 -7.104 5.375
92 HB3 TYR 14 HB1 TYR 14 -0.173 -7.312 6.977
93 HD1 TYR 14 HD1 TYR 14 -1.248 -6.217 8.687
94 HD2 TYR 14 HD2 TYR 14 -1.375 -4.500 4.801
95 HE1 TYR 14 HE1 TYR 14 -2.641 -4.416 9.540
96 HE2 TYR 14 HE2 TYR 14 -2.750 -2.691 5.637
97 HH TYR 14 HH TYR 14 -3.244 -2.114 8.977
98 H ILE 15 H ILE 15 1.992 -3.814 5.507
99 HA ILE 15 HA ILE 15 3.312 -4.004 8.110
100 HB ILE 15 HB ILE 15 4.545 -1.933 7.491
101 HG12 ILE 15 HG12 ILE 15 3.223 -2.311 4.789
102 HG13 ILE 15 HG11 ILE 15 2.899 -0.999 5.913
103 HG21 ILE 15 HG21 ILE 15 6.014 -2.997 5.839
104 HG22 ILE 15 HG22 ILE 15 4.787 -4.236 5.571
105 HG23 ILE 15 HG23 ILE 15 5.559 -4.085 7.150
106 HD11 ILE 15 HD11 ILE 15 5.191 -0.203 5.639
107 HD12 ILE 15 HD12 ILE 15 4.343 -0.285 4.095
108 HD13 ILE 15 HD13 ILE 15 5.516 -1.530 4.524
109 H GLY 16 H GLY 16 0.684 -2.381 6.569
110 HA2 GLY 16 HA2 GLY 16 -0.730 -1.695 8.688
111 HA3 GLY 16 HA1 GLY 16 0.489 -0.428 8.710
112 H SER 17 H SER 17 -1.571 0.839 8.456
113 HA SER 17 HA SER 17 -2.187 1.083 5.622
114 HB2 SER 17 HB2 SER 17 -4.505 1.753 6.472
115 HB3 SER 17 HB1 SER 17 -4.090 0.042 6.551
116 HG SER 17 HG SER 17 -4.992 1.394 8.500
117 H ILE 18 H ILE 18 -1.934 3.038 4.852
118 HA ILE 18 HA ILE 18 -2.227 5.418 6.436
119 HB ILE 18 HB ILE 18 -0.002 6.335 5.603
120 HG12 ILE 18 HG12 ILE 18 0.622 3.408 5.171
121 HG13 ILE 18 HG11 ILE 18 0.518 4.651 3.932
122 HG21 ILE 18 HG21 ILE 18 0.121 4.179 7.689
123 HG22 ILE 18 HG22 ILE 18 -0.244 5.891 7.932
124 HG23 ILE 18 HG23 ILE 18 1.367 5.396 7.416
125 HD11 ILE 18 HD11 ILE 18 2.825 4.085 4.447
126 HD12 ILE 18 HD12 ILE 18 2.551 4.505 6.138
127 HD13 ILE 18 HD13 ILE 18 2.477 5.760 4.895
128 HA PRO 19 HA PRO 19 -3.431 6.541 2.276
129 HB2 PRO 19 HB2 PRO 19 -4.179 9.067 2.689
130 HB3 PRO 19 HB1 PRO 19 -5.071 7.729 3.426
131 HG2 PRO 19 HG2 PRO 19 -3.089 9.583 4.647
132 HG3 PRO 19 HG1 PRO 19 -4.584 8.926 5.337
133 HD2 PRO 19 HD2 PRO 19 -2.005 7.954 5.812
134 HD3 PRO 19 HD1 PRO 19 -3.513 7.070 6.114
135 H ASP 20 H ASP 20 -0.676 7.206 3.611
136 HA ASP 20 HA ASP 20 0.334 9.038 1.516
137 HB2 ASP 20 HB2 ASP 20 1.320 8.704 4.374
138 HB3 ASP 20 HB1 ASP 20 2.058 9.756 3.187
139 H CYS 21 H CYS 21 0.004 6.257 1.347
140 HA CYS 21 HA CYS 21 2.082 4.683 2.354
141 HB2 CYS 21 HB2 CYS 21 -0.185 3.924 1.528
142 HB3 CYS 21 HB1 CYS 21 0.456 4.063 -0.104
143 H CYS 22 H CYS 22 1.892 6.578 -0.592
144 HA CYS 22 HA CYS 22 4.102 5.168 -1.731
145 HB2 CYS 22 HB2 CYS 22 2.529 7.514 -2.744
146 HB3 CYS 22 HB1 CYS 22 3.902 6.814 -3.607
147 H PHE 23 H PHE 23 4.218 7.136 0.717
148 HA PHE 23 HA PHE 23 6.670 8.455 -0.150
149 HB2 PHE 23 HB2 PHE 23 5.128 8.618 2.453
150 HB3 PHE 23 HB1 PHE 23 6.663 9.426 2.179
151 HD1 PHE 23 HD1 PHE 23 6.804 11.274 0.536
152 HD2 PHE 23 HD2 PHE 23 3.111 9.483 1.599
153 HE1 PHE 23 HE1 PHE 23 5.607 13.230 -0.361
154 HE2 PHE 23 HE2 PHE 23 1.894 11.437 0.706
155 HZ PHE 23 HZ PHE 23 3.147 13.312 -0.276
156 H GLY 24 H GLY 24 5.822 5.479 0.715
157 HA2 GLY 24 HA2 GLY 24 8.421 4.935 1.929
158 HA3 GLY 24 HA1 GLY 24 6.953 4.274 2.647
159 H ARG 25 H ARG 25 8.669 2.467 1.966
160 HA ARG 25 HA ARG 25 8.456 1.511 -0.739
161 HB2 ARG 25 HB2 ARG 25 10.417 1.054 0.654
162 HB3 ARG 25 HB1 ARG 25 9.414 0.177 1.792
163 HG2 ARG 25 HG2 ARG 25 8.877 -1.415 -0.080
164 HG3 ARG 25 HG1 ARG 25 10.134 -0.603 -1.017
165 HD2 ARG 25 HD2 ARG 25 10.493 -1.966 1.648
166 HD3 ARG 25 HD1 ARG 25 11.013 -2.588 0.085
167 HE ARG 25 HE ARG 25 12.289 -0.265 0.173
168 HH11 ARG 25 HH11 ARG 25 12.001 -2.827 2.638
169 HH12 ARG 25 HH12 ARG 25 13.527 -2.556 3.311
170 HH21 ARG 25 HH21 ARG 25 14.432 0.109 1.120
171 HH22 ARG 25 HH22 ARG 25 14.942 -0.841 2.428
172 H GLY 26 H GLY 26 6.753 0.292 -1.527
173 HA2 GLY 26 HA2 GLY 26 5.811 -1.963 -0.471
174 HA3 GLY 26 HA1 GLY 26 4.849 -0.752 0.353
175 H SER 27 H SER 27 3.595 -2.529 -0.942
176 HA SER 27 HA SER 27 2.594 -1.370 -3.440
177 HB2 SER 27 HB2 SER 27 1.895 -4.034 -2.174
178 HB3 SER 27 HB1 SER 27 1.718 -3.547 -3.861
179 HG SER 27 HG SER 27 3.714 -4.787 -2.682
180 H TYR 28 H TYR 28 0.209 -1.054 -3.351
181 HA TYR 28 HA TYR 28 -0.841 -1.155 -0.635
182 HB2 TYR 28 HB2 TYR 28 -1.666 1.105 -0.663
183 HB3 TYR 28 HB1 TYR 28 0.063 1.119 -0.938
184 HD1 TYR 28 HD1 TYR 28 -3.209 1.906 -2.312
185 HD2 TYR 28 HD2 TYR 28 0.958 1.747 -3.207
186 HE1 TYR 28 HE1 TYR 28 -3.581 3.295 -4.279
187 HE2 TYR 28 HE2 TYR 28 0.590 3.129 -5.171
188 HH TYR 28 HH TYR 28 -1.179 3.765 -6.681
189 H SER 29 H SER 29 -2.987 -1.372 -0.426
190 HA SER 29 HA SER 29 -4.676 -1.278 -2.779
191 HB2 SER 29 HB2 SER 29 -5.686 -3.472 -2.136
192 HB3 SER 29 HB1 SER 29 -4.002 -3.634 -2.643
193 HG SER 29 HG SER 29 -5.119 -4.318 -0.294
194 H PHE 30 H PHE 30 -7.052 -1.511 -1.931
195 HA PHE 30 HA PHE 30 -7.134 -0.163 0.658
196 HB2 PHE 30 HB2 PHE 30 -9.106 0.023 -1.641
197 HB3 PHE 30 HB1 PHE 30 -9.213 0.910 -0.119
198 HD1 PHE 30 HD1 PHE 30 -7.355 2.539 0.431
199 HD2 PHE 30 HD2 PHE 30 -7.873 0.836 -3.430
200 HE1 PHE 30 HE1 PHE 30 -5.950 4.303 -0.537
201 HE2 PHE 30 HE2 PHE 30 -6.471 2.596 -4.401
202 HZ PHE 30 HZ PHE 30 -5.504 4.338 -2.952
203 H GLU 31 H GLU 31 -7.026 -2.986 -0.045
204 HA GLU 31 HA GLU 31 -9.264 -3.877 1.569
205 HB2 GLU 31 HB2 GLU 31 -9.802 -4.150 -0.912
206 HB3 GLU 31 HB1 GLU 31 -8.478 -5.304 -0.977
207 HG2 GLU 31 HG2 GLU 31 -10.651 -6.397 -0.736
208 HG3 GLU 31 HG1 GLU 31 -9.591 -6.717 0.643
209 H LEU 32 H LEU 32 -8.739 -5.829 2.711
210 HA LEU 32 HA LEU 32 -5.925 -6.093 3.214
211 HB2 LEU 32 HB2 LEU 32 -8.316 -7.398 4.473
212 HB3 LEU 32 HB1 LEU 32 -6.684 -7.889 4.860
213 HG LEU 32 HG LEU 32 -7.488 -6.499 6.589
214 HD11 LEU 32 HD11 LEU 32 -5.163 -6.217 6.060
215 HD12 LEU 32 HD12 LEU 32 -5.861 -4.709 6.644
216 HD13 LEU 32 HD13 LEU 32 -5.551 -4.922 4.923
217 HD21 LEU 32 HD21 LEU 32 -8.076 -4.418 4.502
218 HD22 LEU 32 HD22 LEU 32 -8.189 -4.180 6.244
219 HD23 LEU 32 HD23 LEU 32 -9.270 -5.326 5.438
220 H GLN 33 H GLN 33 -4.606 -7.436 2.502
221 HA GLN 33 HA GLN 33 -3.615 -8.968 1.196
222 HB2 GLN 33 HB2 GLN 33 -5.489 -10.850 2.630
223 HB3 GLN 33 HB1 GLN 33 -3.971 -11.286 1.860
224 HG2 GLN 33 HG2 GLN 33 -2.787 -9.814 3.453
225 HG3 GLN 33 HG1 GLN 33 -4.325 -9.502 4.256
226 HE21 GLN 33 1HE2 GLN 33 -5.301 -11.171 5.411
227 HE22 GLN 33 2HE2 GLN 33 -4.441 -12.567 5.928
228 HA PRO 34 HA PRO 34 -6.741 -9.631 -2.075
229 HB2 PRO 34 HB2 PRO 34 -6.186 -7.611 -3.716
230 HB3 PRO 34 HB1 PRO 34 -7.088 -7.309 -2.226
231 HG2 PRO 34 HG2 PRO 34 -4.227 -6.768 -2.848
232 HG3 PRO 34 HG1 PRO 34 -5.369 -5.812 -1.891
233 HD2 PRO 34 HD2 PRO 34 -3.463 -7.621 -0.888
234 HD3 PRO 34 HD1 PRO 34 -4.812 -6.912 0.014
235 HA PRO 35 HA PRO 35 -3.945 -11.687 -5.004
236 HB2 PRO 35 HB2 PRO 35 -5.048 -10.040 -7.200
237 HB3 PRO 35 HB1 PRO 35 -4.947 -11.793 -7.066
238 HG2 PRO 35 HG2 PRO 35 -7.249 -10.434 -6.779
239 HG3 PRO 35 HG1 PRO 35 -6.923 -11.952 -5.919
240 HD2 PRO 35 HD2 PRO 35 -7.024 -9.178 -4.902
241 HD3 PRO 35 HD1 PRO 35 -7.279 -10.706 -4.048
242 HA PRO 36 HA PRO 36 -0.382 -9.080 -5.308
243 HB2 PRO 36 HB2 PRO 36 0.727 -10.151 -7.654
244 HB3 PRO 36 HB1 PRO 36 0.999 -10.748 -6.018
245 HG2 PRO 36 HG2 PRO 36 -0.887 -11.729 -8.102
246 HG3 PRO 36 HG1 PRO 36 0.050 -12.646 -6.910
247 HD2 PRO 36 HD2 PRO 36 -2.566 -12.239 -6.601
248 HD3 PRO 36 HD1 PRO 36 -1.471 -12.209 -5.204
249 H TRP 37 H TRP 37 -2.197 -9.552 -8.262
250 HA TRP 37 HA TRP 37 -1.151 -7.228 -9.558
251 HB2 TRP 37 HB2 TRP 37 -2.979 -7.708 -11.249
252 HB3 TRP 37 HB1 TRP 37 -1.769 -8.962 -11.021
253 HD1 TRP 37 HD TRP 37 -5.479 -8.214 -10.106
254 HE1 TRP 37 HE1 TRP 37 -6.668 -10.471 -9.762
255 HE3 TRP 37 3HE TRP 37 -1.456 -11.352 -10.512
256 HZ2 TRP 37 HZ2 TRP 37 -6.008 -13.197 -9.659
257 HZ3 TRP 37 HZ3 TRP 37 -1.830 -13.775 -10.272
258 HH2 TRP 37 HH TRP 37 -4.059 -14.671 -9.854
259 H GLU 38 H GLU 38 -3.539 -7.668 -7.229
260 HA GLU 38 HA GLU 38 -5.148 -5.429 -8.078
261 HB2 GLU 38 HB2 GLU 38 -5.290 -7.244 -5.684
262 HB3 GLU 38 HB1 GLU 38 -6.422 -5.929 -5.985
263 HG2 GLU 38 HG2 GLU 38 -5.939 -8.184 -7.901
264 HG3 GLU 38 HG1 GLU 38 -7.207 -8.220 -6.690
265 H CYS 39 H CYS 39 -2.433 -6.064 -6.094
266 HA CYS 39 HA CYS 39 -2.713 -3.667 -4.527
267 HB2 CYS 39 HB2 CYS 39 -0.377 -5.558 -4.893
268 HB3 CYS 39 HB1 CYS 39 -0.343 -4.141 -3.854
269 H TYR 40 H TYR 40 -2.162 -1.730 -5.170
270 HA TYR 40 HA TYR 40 -0.960 -1.353 -7.766
271 HB2 TYR 40 HB2 TYR 40 -1.662 0.726 -5.680
272 HB3 TYR 40 HB1 TYR 40 -1.376 1.000 -7.388
273 HD1 TYR 40 HD1 TYR 40 -3.067 -0.050 -9.042
274 HD2 TYR 40 HD2 TYR 40 -3.798 0.371 -4.875
275 HE1 TYR 40 HE1 TYR 40 -5.476 -0.234 -9.451
276 HE2 TYR 40 HE2 TYR 40 -6.210 0.184 -5.266
277 HH TYR 40 HH TYR 40 -7.513 -0.928 -8.101
278 H GLN 41 H GLN 41 0.964 0.055 -7.928
279 HA GLN 41 HA GLN 41 2.707 -0.292 -5.605
280 HB2 GLN 41 HB2 GLN 41 3.419 -0.603 -8.516
281 HB3 GLN 41 HB1 GLN 41 4.583 -0.601 -7.201
282 HG2 GLN 41 HG2 GLN 41 3.482 -2.592 -6.261
283 HG3 GLN 41 HG1 GLN 41 2.370 -2.589 -7.625
284 HE21 GLN 41 1HE2 GLN 41 5.633 -3.047 -6.631
285 HE22 GLN 41 2HE2 GLN 41 6.157 -3.888 -8.053
286 H CYS 42 H CYS 42 4.148 1.333 -5.190
287 HA CYS 42 HA CYS 42 3.348 3.872 -6.259
288 HB2 CYS 42 HB2 CYS 42 5.265 3.155 -4.030
289 HB3 CYS 42 HB1 CYS 42 4.787 4.796 -4.459
Start of MODEL 3
1 H PCA 1 H PGL 1 -10.162 4.322 2.306
2 HA PCA 1 HA PGL 1 -9.666 6.827 1.950
3 HB2 PCA 1 HB1 PGL 1 -10.391 8.132 3.670
4 HB3 PCA 1 HB2 PGL 1 -9.252 7.313 4.774
5 HG2 PCA 1 HG1 PGL 1 -12.131 6.943 4.550
6 HG3 PCA 1 HG2 PGL 1 -10.992 6.185 5.712
7 H GLU 2 H GLU 2 -8.510 4.349 4.069
8 HA GLU 2 HA GLU 2 -5.784 5.368 3.781
9 HB2 GLU 2 HB2 GLU 2 -6.846 3.225 5.616
10 HB3 GLU 2 HB1 GLU 2 -5.177 3.762 5.531
11 HG2 GLU 2 HG2 GLU 2 -5.877 5.994 6.242
12 HG3 GLU 2 HG1 GLU 2 -7.538 5.410 6.369
13 H ALA 3 H ALA 3 -4.169 4.023 3.041
14 HA ALA 3 HA ALA 3 -5.129 1.793 1.447
15 HB1 ALA 3 HB1 ALA 3 -3.053 2.061 0.215
16 HB2 ALA 3 HB2 ALA 3 -2.563 3.375 1.287
17 HB3 ALA 3 HB3 ALA 3 -3.961 3.571 0.225
18 H PHE 4 H PHE 4 -4.377 -0.173 1.883
19 HA PHE 4 HA PHE 4 -2.875 -0.556 4.329
20 HB2 PHE 4 HB2 PHE 4 -3.966 -2.618 2.384
21 HB3 PHE 4 HB1 PHE 4 -3.426 -2.917 4.028
22 HD1 PHE 4 HD1 PHE 4 -6.181 -2.162 1.936
23 HD2 PHE 4 HD2 PHE 4 -4.806 -1.799 5.935
24 HE1 PHE 4 HE1 PHE 4 -8.496 -1.840 2.711
25 HE2 PHE 4 HE2 PHE 4 -7.104 -1.475 6.705
26 HZ PHE 4 HZ PHE 4 -8.954 -1.499 5.095
27 H CYS 5 H CYS 5 -0.728 -0.790 4.253
28 HA CYS 5 HA CYS 5 0.504 -0.922 1.620
29 HB2 CYS 5 HB2 CYS 5 1.700 -0.186 4.288
30 HB3 CYS 5 HB1 CYS 5 2.471 -0.022 2.715
31 H TYR 6 H TYR 6 1.764 -2.527 1.022
32 HA TYR 6 HA TYR 6 2.532 -4.590 2.972
33 HB2 TYR 6 HB2 TYR 6 1.744 -5.253 0.103
34 HB3 TYR 6 HB1 TYR 6 2.063 -6.333 1.422
35 HD1 TYR 6 HD1 TYR 6 -0.417 -3.986 0.068
36 HD2 TYR 6 HD2 TYR 6 0.374 -6.922 3.035
37 HE1 TYR 6 HE1 TYR 6 -2.777 -4.051 0.613
38 HE2 TYR 6 HE2 TYR 6 -2.015 -6.994 3.598
39 HH TYR 6 HH TYR 6 -4.395 -5.319 1.672
40 H SER 7 H SER 7 4.566 -4.920 3.024
41 HA SER 7 HA SER 7 6.349 -3.522 1.329
42 HB2 SER 7 HB2 SER 7 7.980 -4.910 2.713
43 HB3 SER 7 HB1 SER 7 6.867 -3.837 3.591
44 HG SER 7 HG SER 7 7.018 -6.053 4.416
45 H ASP 8 H ASP 8 5.106 -6.698 1.637
46 HA ASP 8 HA ASP 8 6.789 -7.992 -0.266
47 HB2 ASP 8 HB2 ASP 8 5.577 -9.254 1.459
48 HB3 ASP 8 HB1 ASP 8 4.049 -8.765 0.737
49 H ARG 9 H ARG 9 6.451 -8.342 -2.395
50 HA ARG 9 HA ARG 9 4.917 -6.286 -3.663
51 HB2 ARG 9 HB2 ARG 9 6.511 -8.478 -4.976
52 HB3 ARG 9 HB1 ARG 9 5.990 -6.971 -5.704
53 HG2 ARG 9 HG2 ARG 9 8.065 -7.339 -3.546
54 HG3 ARG 9 HG1 ARG 9 8.323 -6.816 -5.207
55 HD2 ARG 9 HD2 ARG 9 6.799 -5.287 -3.092
56 HD3 ARG 9 HD1 ARG 9 8.453 -4.967 -3.595
57 HE ARG 9 HE ARG 9 6.608 -4.905 -5.763
58 HH11 ARG 9 HH11 ARG 9 7.870 -2.973 -3.076
59 HH12 ARG 9 HH12 ARG 9 7.602 -1.478 -3.860
60 HH21 ARG 9 HH21 ARG 9 6.267 -2.813 -6.831
61 HH22 ARG 9 HH22 ARG 9 6.713 -1.400 -6.022
62 H PHE 10 H PHE 10 4.122 -9.378 -2.636
63 HA PHE 10 HA PHE 10 2.185 -9.678 -4.779
64 HB2 PHE 10 HB2 PHE 10 3.276 -11.772 -2.887
65 HB3 PHE 10 HB1 PHE 10 2.119 -12.059 -4.183
66 HD1 PHE 10 HD1 PHE 10 5.600 -11.537 -3.326
67 HD2 PHE 10 HD2 PHE 10 2.836 -11.910 -6.537
68 HE1 PHE 10 HE1 PHE 10 7.463 -11.912 -4.883
69 HE2 PHE 10 HE2 PHE 10 4.690 -12.284 -8.092
70 HZ PHE 10 HZ PHE 10 7.012 -12.286 -7.271
71 H CYS 11 H CYS 11 2.238 -8.121 -2.121
72 HA CYS 11 HA CYS 11 0.570 -7.264 -0.765
73 HB2 CYS 11 HB2 CYS 11 -1.278 -9.367 -1.911
74 HB3 CYS 11 HB1 CYS 11 -1.720 -7.896 -1.057
75 H GLN 12 H GLN 12 2.196 -9.833 -0.158
76 HA GLN 12 HA GLN 12 0.420 -11.270 1.605
77 HB2 GLN 12 HB2 GLN 12 3.370 -11.608 1.136
78 HB3 GLN 12 HB1 GLN 12 2.331 -12.721 2.016
79 HG2 GLN 12 HG2 GLN 12 1.095 -13.227 0.022
80 HG3 GLN 12 HG1 GLN 12 1.968 -11.989 -0.878
81 HE21 GLN 12 1HE2 GLN 12 4.139 -12.318 -1.309
82 HE22 GLN 12 2HE2 GLN 12 4.826 -13.897 -1.407
83 H ASN 13 H ASN 13 2.743 -8.705 2.014
84 HA ASN 13 HA ASN 13 2.832 -9.345 4.892
85 HB2 ASN 13 HB2 ASN 13 4.944 -7.926 3.281
86 HB3 ASN 13 HB1 ASN 13 4.972 -8.101 5.026
87 HD21 ASN 13 HD21 ASN 13 6.890 -9.015 3.101
88 HD22 ASN 13 HD22 ASN 13 6.974 -10.727 3.279
89 H TYR 14 H TYR 14 1.300 -8.174 5.738
90 HA TYR 14 HA TYR 14 0.722 -5.483 4.942
91 HB2 TYR 14 HB2 TYR 14 -1.068 -6.930 5.706
92 HB3 TYR 14 HB1 TYR 14 -0.243 -7.202 7.232
93 HD1 TYR 14 HD1 TYR 14 -0.601 -5.763 9.064
94 HD2 TYR 14 HD2 TYR 14 -1.957 -4.610 5.204
95 HE1 TYR 14 HE1 TYR 14 -1.822 -3.907 10.063
96 HE2 TYR 14 HE2 TYR 14 -3.174 -2.746 6.189
97 HH TYR 14 HH TYR 14 -4.176 -2.137 8.488
98 H ILE 15 H ILE 15 1.823 -3.762 5.596
99 HA ILE 15 HA ILE 15 3.299 -3.970 8.129
100 HB ILE 15 HB ILE 15 4.846 -2.242 7.267
101 HG12 ILE 15 HG12 ILE 15 3.348 -2.626 4.659
102 HG13 ILE 15 HG11 ILE 15 3.319 -1.177 5.651
103 HG21 ILE 15 HG21 ILE 15 4.599 -4.684 5.518
104 HG22 ILE 15 HG22 ILE 15 5.383 -4.612 7.091
105 HG23 ILE 15 HG23 ILE 15 6.054 -3.708 5.731
106 HD11 ILE 15 HD11 ILE 15 4.762 -0.894 3.740
107 HD12 ILE 15 HD12 ILE 15 5.702 -2.308 4.211
108 HD13 ILE 15 HD13 ILE 15 5.719 -0.865 5.223
109 H GLY 16 H GLY 16 0.540 -2.720 7.076
110 HA2 GLY 16 HA2 GLY 16 -0.425 -1.391 9.013
111 HA3 GLY 16 HA1 GLY 16 0.850 -0.241 8.628
112 H SER 17 H SER 17 -1.597 0.762 8.595
113 HA SER 17 HA SER 17 -2.162 1.017 5.755
114 HB2 SER 17 HB2 SER 17 -4.560 1.412 6.423
115 HB3 SER 17 HB1 SER 17 -3.982 -0.232 6.684
116 HG SER 17 HG SER 17 -5.150 0.487 8.448
117 H ILE 18 H ILE 18 -2.149 3.019 5.041
118 HA ILE 18 HA ILE 18 -2.464 5.238 6.857
119 HB ILE 18 HB ILE 18 -0.435 6.349 5.797
120 HG12 ILE 18 HG12 ILE 18 0.267 3.475 5.195
121 HG13 ILE 18 HG11 ILE 18 0.067 4.786 4.040
122 HG21 ILE 18 HG21 ILE 18 -0.449 5.841 8.111
123 HG22 ILE 18 HG22 ILE 18 1.138 5.424 7.455
124 HG23 ILE 18 HG23 ILE 18 -0.038 4.154 7.800
125 HD11 ILE 18 HD11 ILE 18 2.234 4.575 6.118
126 HD12 ILE 18 HD12 ILE 18 2.046 5.886 4.949
127 HD13 ILE 18 HD13 ILE 18 2.409 4.252 4.394
128 HA PRO 19 HA PRO 19 -4.482 6.886 3.313
129 HB2 PRO 19 HB2 PRO 19 -4.318 9.547 3.835
130 HB3 PRO 19 HB1 PRO 19 -5.409 8.466 4.707
131 HG2 PRO 19 HG2 PRO 19 -2.726 9.505 5.515
132 HG3 PRO 19 HG1 PRO 19 -4.199 9.348 6.492
133 HD2 PRO 19 HD2 PRO 19 -2.159 7.575 6.620
134 HD3 PRO 19 HD1 PRO 19 -3.842 7.089 6.861
135 H ASP 20 H ASP 20 -1.230 7.727 4.069
136 HA ASP 20 HA ASP 20 -0.765 8.446 1.257
137 HB2 ASP 20 HB2 ASP 20 0.732 9.573 3.636
138 HB3 ASP 20 HB1 ASP 20 1.023 9.953 1.948
139 H CYS 21 H CYS 21 -0.185 6.396 0.758
140 HA CYS 21 HA CYS 21 1.661 4.978 2.488
141 HB2 CYS 21 HB2 CYS 21 -0.378 3.872 1.609
142 HB3 CYS 21 HB1 CYS 21 0.269 4.023 -0.018
143 H CYS 22 H CYS 22 1.916 6.943 -0.289
144 HA CYS 22 HA CYS 22 4.067 5.376 -1.363
145 HB2 CYS 22 HB2 CYS 22 2.765 7.871 -2.433
146 HB3 CYS 22 HB1 CYS 22 4.136 7.074 -3.203
147 H PHE 23 H PHE 23 4.160 7.112 1.149
148 HA PHE 23 HA PHE 23 6.693 8.404 0.610
149 HB2 PHE 23 HB2 PHE 23 5.021 8.149 3.111
150 HB3 PHE 23 HB1 PHE 23 6.640 8.839 3.141
151 HD1 PHE 23 HD1 PHE 23 7.106 10.955 2.013
152 HD2 PHE 23 HD2 PHE 23 3.160 9.371 2.189
153 HE1 PHE 23 HE1 PHE 23 6.204 13.146 1.377
154 HE2 PHE 23 HE2 PHE 23 2.257 11.572 1.546
155 HZ PHE 23 HZ PHE 23 3.778 13.455 1.143
156 H GLY 24 H GLY 24 5.651 5.368 1.027
157 HA2 GLY 24 HA2 GLY 24 8.304 4.479 1.860
158 HA3 GLY 24 HA1 GLY 24 6.838 3.705 2.468
159 H ARG 25 H ARG 25 9.087 2.843 0.574
160 HA ARG 25 HA ARG 25 7.644 2.361 -1.863
161 HB2 ARG 25 HB2 ARG 25 10.276 1.230 -0.888
162 HB3 ARG 25 HB1 ARG 25 9.599 0.952 -2.485
163 HG2 ARG 25 HG2 ARG 25 10.429 3.623 -1.359
164 HG3 ARG 25 HG1 ARG 25 11.313 2.669 -2.553
165 HD2 ARG 25 HD2 ARG 25 9.438 2.886 -4.110
166 HD3 ARG 25 HD1 ARG 25 8.547 3.828 -2.919
167 HE ARG 25 HE ARG 25 11.042 5.001 -3.369
168 HH11 ARG 25 HH11 ARG 25 7.951 4.552 -5.092
169 HH12 ARG 25 HH12 ARG 25 8.107 6.011 -5.972
170 HH21 ARG 25 HH21 ARG 25 11.204 6.979 -4.600
171 HH22 ARG 25 HH22 ARG 25 9.954 7.403 -5.679
172 H GLY 26 H GLY 26 6.365 0.726 -2.327
173 HA2 GLY 26 HA2 GLY 26 6.477 -1.842 -1.546
174 HA3 GLY 26 HA1 GLY 26 5.604 -1.036 -0.243
175 H SER 27 H SER 27 3.946 -2.545 -1.075
176 HA SER 27 HA SER 27 2.563 -1.552 -3.457
177 HB2 SER 27 HB2 SER 27 1.973 -4.082 -1.906
178 HB3 SER 27 HB1 SER 27 1.563 -3.675 -3.574
179 HG SER 27 HG SER 27 3.824 -4.771 -2.532
180 H TYR 28 H TYR 28 0.274 -1.083 -3.171
181 HA TYR 28 HA TYR 28 -0.716 -1.160 -0.443
182 HB2 TYR 28 HB2 TYR 28 -1.438 1.138 -0.395
183 HB3 TYR 28 HB1 TYR 28 0.279 1.092 -0.705
184 HD1 TYR 28 HD1 TYR 28 -2.931 2.262 -1.876
185 HD2 TYR 28 HD2 TYR 28 1.094 1.559 -3.080
186 HE1 TYR 28 HE1 TYR 28 -3.244 3.761 -3.771
187 HE2 TYR 28 HE2 TYR 28 0.787 3.056 -4.981
188 HH TYR 28 HH TYR 28 -1.066 3.906 -6.344
189 H SER 29 H SER 29 -2.913 -1.299 -0.277
190 HA SER 29 HA SER 29 -4.497 -1.109 -2.702
191 HB2 SER 29 HB2 SER 29 -5.521 -3.344 -2.228
192 HB3 SER 29 HB1 SER 29 -3.820 -3.453 -2.682
193 HG SER 29 HG SER 29 -4.988 -4.307 -0.422
194 H PHE 30 H PHE 30 -6.862 -1.378 -2.070
195 HA PHE 30 HA PHE 30 -7.258 -0.201 0.584
196 HB2 PHE 30 HB2 PHE 30 -9.039 -0.080 -1.863
197 HB3 PHE 30 HB1 PHE 30 -9.342 0.733 -0.327
198 HD1 PHE 30 HD1 PHE 30 -7.849 1.009 -3.531
199 HD2 PHE 30 HD2 PHE 30 -7.546 2.407 0.477
200 HE1 PHE 30 HE1 PHE 30 -6.513 2.920 -4.291
201 HE2 PHE 30 HE2 PHE 30 -6.227 4.320 -0.288
202 HZ PHE 30 HZ PHE 30 -5.703 4.579 -2.672
203 H GLU 31 H GLU 31 -6.968 -2.986 -0.351
204 HA GLU 31 HA GLU 31 -9.265 -4.108 1.049
205 HB2 GLU 31 HB2 GLU 31 -8.083 -5.227 -1.516
206 HB3 GLU 31 HB1 GLU 31 -9.349 -5.988 -0.562
207 HG2 GLU 31 HG2 GLU 31 -10.806 -4.065 -0.991
208 HG3 GLU 31 HG1 GLU 31 -9.547 -3.344 -1.984
209 H LEU 32 H LEU 32 -8.708 -5.847 2.356
210 HA LEU 32 HA LEU 32 -5.939 -5.986 3.068
211 HB2 LEU 32 HB2 LEU 32 -8.416 -7.192 4.234
212 HB3 LEU 32 HB1 LEU 32 -6.823 -7.651 4.796
213 HG LEU 32 HG LEU 32 -7.873 -4.818 4.852
214 HD11 LEU 32 HD11 LEU 32 -9.164 -6.255 6.328
215 HD12 LEU 32 HD12 LEU 32 -8.103 -5.193 7.258
216 HD13 LEU 32 HD13 LEU 32 -7.675 -6.890 7.024
217 HD21 LEU 32 HD21 LEU 32 -5.434 -4.977 4.769
218 HD22 LEU 32 HD22 LEU 32 -5.460 -6.127 6.104
219 HD23 LEU 32 HD23 LEU 32 -5.978 -4.464 6.365
220 H GLN 33 H GLN 33 -4.555 -7.237 2.369
221 HA GLN 33 HA GLN 33 -3.512 -8.742 1.085
222 HB2 GLN 33 HB2 GLN 33 -5.123 -10.580 2.846
223 HB3 GLN 33 HB1 GLN 33 -3.731 -11.076 1.893
224 HG2 GLN 33 HG2 GLN 33 -2.311 -9.555 3.144
225 HG3 GLN 33 HG1 GLN 33 -3.706 -9.011 4.076
226 HE21 GLN 33 1HE2 GLN 33 -1.466 -11.599 3.525
227 HE22 GLN 33 2HE2 GLN 33 -1.865 -12.496 4.930
228 HA PRO 34 HA PRO 34 -6.665 -9.919 -1.981
229 HB2 PRO 34 HB2 PRO 34 -6.301 -8.003 -3.807
230 HB3 PRO 34 HB1 PRO 34 -7.243 -7.666 -2.354
231 HG2 PRO 34 HG2 PRO 34 -4.451 -6.872 -3.021
232 HG3 PRO 34 HG1 PRO 34 -5.692 -5.976 -2.130
233 HD2 PRO 34 HD2 PRO 34 -3.602 -7.479 -1.011
234 HD3 PRO 34 HD1 PRO 34 -5.023 -6.864 -0.154
235 HA PRO 35 HA PRO 35 -3.603 -11.918 -4.586
236 HB2 PRO 35 HB2 PRO 35 -4.540 -11.362 -7.168
237 HB3 PRO 35 HB1 PRO 35 -5.020 -12.741 -6.181
238 HG2 PRO 35 HG2 PRO 35 -6.428 -10.180 -6.671
239 HG3 PRO 35 HG1 PRO 35 -7.093 -11.792 -6.382
240 HD2 PRO 35 HD2 PRO 35 -7.101 -9.851 -4.498
241 HD3 PRO 35 HD1 PRO 35 -6.972 -11.574 -4.104
242 HA PRO 36 HA PRO 36 -0.326 -9.103 -5.308
243 HB2 PRO 36 HB2 PRO 36 0.562 -10.101 -7.804
244 HB3 PRO 36 HB1 PRO 36 1.173 -10.525 -6.206
245 HG2 PRO 36 HG2 PRO 36 -0.813 -11.928 -7.910
246 HG3 PRO 36 HG1 PRO 36 0.352 -12.600 -6.754
247 HD2 PRO 36 HD2 PRO 36 -2.236 -12.496 -6.204
248 HD3 PRO 36 HD1 PRO 36 -1.034 -12.148 -4.935
249 H TRP 37 H TRP 37 -2.390 -9.559 -8.120
250 HA TRP 37 HA TRP 37 -1.403 -7.244 -9.480
251 HB2 TRP 37 HB2 TRP 37 -3.331 -7.653 -11.050
252 HB3 TRP 37 HB1 TRP 37 -2.179 -8.971 -10.884
253 HD1 TRP 37 HD TRP 37 -5.786 -8.018 -9.783
254 HE1 TRP 37 HE1 TRP 37 -7.089 -10.182 -9.407
255 HE3 TRP 37 3HE TRP 37 -1.972 -11.374 -10.373
256 HZ2 TRP 37 HZ2 TRP 37 -6.580 -12.972 -9.350
257 HZ3 TRP 37 HZ3 TRP 37 -2.467 -13.769 -10.126
258 HH2 TRP 37 HH TRP 37 -4.725 -14.546 -9.627
259 H GLU 38 H GLU 38 -3.640 -7.623 -6.997
260 HA GLU 38 HA GLU 38 -5.315 -5.398 -7.745
261 HB2 GLU 38 HB2 GLU 38 -5.208 -7.156 -5.325
262 HB3 GLU 38 HB1 GLU 38 -6.419 -5.903 -5.582
263 HG2 GLU 38 HG2 GLU 38 -5.954 -8.160 -7.494
264 HG3 GLU 38 HG1 GLU 38 -7.116 -8.266 -6.183
265 H CYS 39 H CYS 39 -2.389 -5.813 -6.096
266 HA CYS 39 HA CYS 39 -2.787 -3.409 -4.515
267 HB2 CYS 39 HB2 CYS 39 -0.375 -5.210 -4.737
268 HB3 CYS 39 HB1 CYS 39 -0.490 -3.787 -3.709
269 H TYR 40 H TYR 40 -1.971 -1.509 -4.950
270 HA TYR 40 HA TYR 40 -0.821 -1.066 -7.578
271 HB2 TYR 40 HB2 TYR 40 -1.410 0.982 -5.430
272 HB3 TYR 40 HB1 TYR 40 -1.287 1.237 -7.163
273 HD1 TYR 40 HD1 TYR 40 -3.470 0.629 -4.428
274 HD2 TYR 40 HD2 TYR 40 -3.129 0.191 -8.635
275 HE1 TYR 40 HE1 TYR 40 -5.898 0.405 -4.585
276 HE2 TYR 40 HE2 TYR 40 -5.566 -0.036 -8.813
277 HH TYR 40 HH TYR 40 -7.454 -0.711 -7.375
278 H GLN 41 H GLN 41 1.139 0.518 -7.490
279 HA GLN 41 HA GLN 41 2.844 -0.253 -5.229
280 HB2 GLN 41 HB2 GLN 41 3.665 -0.077 -8.132
281 HB3 GLN 41 HB1 GLN 41 4.707 -0.513 -6.783
282 HG2 GLN 41 HG2 GLN 41 3.390 -2.511 -6.387
283 HG3 GLN 41 HG1 GLN 41 2.298 -2.070 -7.693
284 HE21 GLN 41 1HE2 GLN 41 2.701 -3.905 -8.835
285 HE22 GLN 41 2HE2 GLN 41 4.192 -4.205 -9.653
286 H CYS 42 H CYS 42 4.266 1.327 -4.521
287 HA CYS 42 HA CYS 42 3.779 3.995 -5.578
288 HB2 CYS 42 HB2 CYS 42 5.041 3.080 -2.992
289 HB3 CYS 42 HB1 CYS 42 4.954 4.763 -3.496
Start of MODEL 4
1 H PCA 1 H PGL 1 -10.899 2.828 1.864
2 HA PCA 1 HA PGL 1 -10.597 5.314 1.430
3 HB2 PCA 1 HB1 PGL 1 -11.718 6.573 2.971
4 HB3 PCA 1 HB2 PGL 1 -10.493 6.104 4.180
5 HG2 PCA 1 HG1 PGL 1 -13.243 5.179 3.962
6 HG3 PCA 1 HG2 PGL 1 -12.011 4.768 5.202
7 H GLU 2 H GLU 2 -9.390 3.041 3.672
8 HA GLU 2 HA GLU 2 -6.895 4.468 4.128
9 HB2 GLU 2 HB2 GLU 2 -7.831 1.784 5.151
10 HB3 GLU 2 HB1 GLU 2 -6.375 2.627 5.651
11 HG2 GLU 2 HG2 GLU 2 -9.215 3.495 6.118
12 HG3 GLU 2 HG1 GLU 2 -8.070 2.902 7.322
13 H ALA 3 H ALA 3 -5.015 3.923 3.146
14 HA ALA 3 HA ALA 3 -5.137 1.829 1.147
15 HB1 ALA 3 HB1 ALA 3 -2.913 2.671 0.484
16 HB2 ALA 3 HB2 ALA 3 -2.940 3.799 1.835
17 HB3 ALA 3 HB3 ALA 3 -4.100 3.971 0.519
18 H PHE 4 H PHE 4 -4.574 -0.128 1.684
19 HA PHE 4 HA PHE 4 -3.170 -0.611 4.168
20 HB2 PHE 4 HB2 PHE 4 -4.313 -2.529 2.134
21 HB3 PHE 4 HB1 PHE 4 -3.693 -2.983 3.712
22 HD1 PHE 4 HD1 PHE 4 -4.853 -1.422 5.675
23 HD2 PHE 4 HD2 PHE 4 -6.560 -2.507 1.940
24 HE1 PHE 4 HE1 PHE 4 -7.102 -1.100 6.613
25 HE2 PHE 4 HE2 PHE 4 -8.811 -2.183 2.868
26 HZ PHE 4 HZ PHE 4 -9.090 -1.485 5.192
27 H CYS 5 H CYS 5 -1.070 -0.795 4.195
28 HA CYS 5 HA CYS 5 0.275 -0.948 1.629
29 HB2 CYS 5 HB2 CYS 5 1.354 -0.108 4.303
30 HB3 CYS 5 HB1 CYS 5 2.142 0.069 2.737
31 H TYR 6 H TYR 6 1.382 -2.582 1.080
32 HA TYR 6 HA TYR 6 2.258 -4.550 3.063
33 HB2 TYR 6 HB2 TYR 6 1.608 -4.982 0.119
34 HB3 TYR 6 HB1 TYR 6 2.065 -6.221 1.278
35 HD1 TYR 6 HD1 TYR 6 -0.630 -4.023 0.138
36 HD2 TYR 6 HD2 TYR 6 0.450 -7.045 2.925
37 HE1 TYR 6 HE1 TYR 6 -2.970 -4.341 0.682
38 HE2 TYR 6 HE2 TYR 6 -1.904 -7.379 3.483
39 HH TYR 6 HH TYR 6 -4.439 -5.814 1.647
40 H SER 7 H SER 7 4.382 -4.909 3.111
41 HA SER 7 HA SER 7 6.031 -2.958 1.860
42 HB2 SER 7 HB2 SER 7 7.807 -4.135 3.182
43 HB3 SER 7 HB1 SER 7 6.399 -3.570 4.100
44 HG SER 7 HG SER 7 7.157 -6.165 3.420
45 H ASP 8 H ASP 8 4.824 -5.647 0.535
46 HA ASP 8 HA ASP 8 7.067 -5.987 -1.273
47 HB2 ASP 8 HB2 ASP 8 7.451 -7.734 0.334
48 HB3 ASP 8 HB1 ASP 8 5.767 -8.218 0.303
49 H ARG 9 H ARG 9 6.414 -6.875 -3.313
50 HA ARG 9 HA ARG 9 3.985 -5.815 -4.224
51 HB2 ARG 9 HB2 ARG 9 6.156 -7.396 -5.467
52 HB3 ARG 9 HB1 ARG 9 4.610 -7.382 -6.284
53 HG2 ARG 9 HG2 ARG 9 6.089 -5.706 -7.206
54 HG3 ARG 9 HG1 ARG 9 4.699 -4.952 -6.446
55 HD2 ARG 9 HD2 ARG 9 6.061 -4.315 -4.536
56 HD3 ARG 9 HD1 ARG 9 7.448 -5.184 -5.206
57 HE ARG 9 HE ARG 9 6.623 -3.457 -7.160
58 HH11 ARG 9 HH11 ARG 9 7.791 -2.967 -3.834
59 HH12 ARG 9 HH12 ARG 9 8.580 -1.505 -4.203
60 HH21 ARG 9 HH21 ARG 9 7.764 -1.458 -7.623
61 HH22 ARG 9 HH22 ARG 9 8.572 -0.637 -6.381
62 H PHE 10 H PHE 10 4.611 -8.988 -2.931
63 HA PHE 10 HA PHE 10 2.448 -10.152 -4.378
64 HB2 PHE 10 HB2 PHE 10 4.161 -11.241 -2.162
65 HB3 PHE 10 HB1 PHE 10 2.817 -12.142 -2.854
66 HD1 PHE 10 HD1 PHE 10 6.159 -10.770 -3.469
67 HD2 PHE 10 HD2 PHE 10 2.953 -13.064 -5.054
68 HE1 PHE 10 HE1 PHE 10 7.629 -11.570 -5.270
69 HE2 PHE 10 HE2 PHE 10 4.413 -13.867 -6.853
70 HZ PHE 10 HZ PHE 10 6.756 -13.121 -6.967
71 H CYS 11 H CYS 11 2.340 -8.047 -1.887
72 HA CYS 11 HA CYS 11 0.575 -7.256 -0.603
73 HB2 CYS 11 HB2 CYS 11 -1.088 -9.338 -2.041
74 HB3 CYS 11 HB1 CYS 11 -1.679 -7.930 -1.170
75 H GLN 12 H GLN 12 2.163 -9.697 0.160
76 HA GLN 12 HA GLN 12 0.262 -10.956 2.014
77 HB2 GLN 12 HB2 GLN 12 2.866 -12.026 0.899
78 HB3 GLN 12 HB1 GLN 12 1.839 -12.845 2.065
79 HG2 GLN 12 HG2 GLN 12 0.083 -13.089 0.482
80 HG3 GLN 12 HG1 GLN 12 0.900 -12.035 -0.666
81 HE21 GLN 12 1HE2 GLN 12 2.638 -14.464 1.162
82 HE22 GLN 12 2HE2 GLN 12 2.938 -15.503 -0.179
83 H ASN 13 H ASN 13 2.193 -8.467 2.174
84 HA ASN 13 HA ASN 13 3.148 -9.190 4.855
85 HB2 ASN 13 HB2 ASN 13 4.774 -7.665 2.793
86 HB3 ASN 13 HB1 ASN 13 5.203 -7.775 4.491
87 HD21 ASN 13 HD21 ASN 13 6.073 -9.706 5.266
88 HD22 ASN 13 HD22 ASN 13 6.570 -10.984 4.224
89 H TYR 14 H TYR 14 1.317 -8.164 5.644
90 HA TYR 14 HA TYR 14 0.645 -5.484 4.918
91 HB2 TYR 14 HB2 TYR 14 -1.041 -7.159 5.525
92 HB3 TYR 14 HB1 TYR 14 -0.336 -7.293 7.124
93 HD1 TYR 14 HD1 TYR 14 -1.120 -5.952 8.864
94 HD2 TYR 14 HD2 TYR 14 -2.045 -4.895 4.854
95 HE1 TYR 14 HE1 TYR 14 -2.684 -4.253 9.682
96 HE2 TYR 14 HE2 TYR 14 -3.605 -3.189 5.664
97 HH TYR 14 HH TYR 14 -4.990 -2.823 7.762
98 H ILE 15 H ILE 15 1.569 -3.715 5.741
99 HA ILE 15 HA ILE 15 2.931 -3.964 8.337
100 HB ILE 15 HB ILE 15 4.228 -1.974 7.765
101 HG12 ILE 15 HG12 ILE 15 2.799 -2.059 5.088
102 HG13 ILE 15 HG11 ILE 15 2.546 -0.848 6.336
103 HG21 ILE 15 HG21 ILE 15 5.590 -2.944 5.972
104 HG22 ILE 15 HG22 ILE 15 4.284 -4.069 5.598
105 HG23 ILE 15 HG23 ILE 15 5.102 -4.158 7.157
106 HD11 ILE 15 HD11 ILE 15 3.956 0.000 4.550
107 HD12 ILE 15 HD12 ILE 15 5.102 -1.314 4.812
108 HD13 ILE 15 HD13 ILE 15 4.859 -0.094 6.062
109 H GLY 16 H GLY 16 0.171 -2.820 6.964
110 HA2 GLY 16 HA2 GLY 16 -1.412 -1.968 8.675
111 HA3 GLY 16 HA1 GLY 16 -0.166 -0.774 9.044
112 H SER 17 H SER 17 -1.833 0.773 8.525
113 HA SER 17 HA SER 17 -1.976 1.255 5.641
114 HB2 SER 17 HB2 SER 17 -4.147 2.413 6.184
115 HB3 SER 17 HB1 SER 17 -4.196 0.670 6.454
116 HG SER 17 HG SER 17 -3.472 2.430 8.509
117 H ILE 18 H ILE 18 -1.129 3.215 5.117
118 HA ILE 18 HA ILE 18 -0.798 5.191 7.202
119 HB ILE 18 HB ILE 18 1.629 5.540 6.495
120 HG12 ILE 18 HG12 ILE 18 1.193 2.816 5.260
121 HG13 ILE 18 HG11 ILE 18 1.605 4.303 4.423
122 HG21 ILE 18 HG21 ILE 18 2.542 3.798 7.957
123 HG22 ILE 18 HG22 ILE 18 1.009 2.933 7.878
124 HG23 ILE 18 HG23 ILE 18 1.082 4.513 8.647
125 HD11 ILE 18 HD11 ILE 18 3.335 2.837 6.380
126 HD12 ILE 18 HD12 ILE 18 3.791 4.301 5.491
127 HD13 ILE 18 HD13 ILE 18 3.499 2.786 4.626
128 HA PRO 19 HA PRO 19 -1.772 7.747 3.628
129 HB2 PRO 19 HB2 PRO 19 -0.691 10.021 5.154
130 HB3 PRO 19 HB1 PRO 19 -2.342 9.745 4.594
131 HG2 PRO 19 HG2 PRO 19 -1.702 9.597 7.192
132 HG3 PRO 19 HG1 PRO 19 -2.918 8.529 6.473
133 HD2 PRO 19 HD2 PRO 19 -0.054 7.949 7.153
134 HD3 PRO 19 HD1 PRO 19 -1.517 6.964 7.410
135 H ASP 20 H ASP 20 1.271 7.450 5.081
136 HA ASP 20 HA ASP 20 2.666 8.892 2.936
137 HB2 ASP 20 HB2 ASP 20 3.744 7.711 5.509
138 HB3 ASP 20 HB1 ASP 20 4.713 8.547 4.312
139 H CYS 21 H CYS 21 1.302 6.339 2.607
140 HA CYS 21 HA CYS 21 2.853 4.038 2.724
141 HB2 CYS 21 HB2 CYS 21 0.347 4.389 2.183
142 HB3 CYS 21 HB1 CYS 21 0.883 4.599 0.522
143 H CYS 22 H CYS 22 2.581 6.463 0.189
144 HA CYS 22 HA CYS 22 4.214 4.926 -1.586
145 HB2 CYS 22 HB2 CYS 22 2.755 7.523 -1.936
146 HB3 CYS 22 HB1 CYS 22 3.701 6.761 -3.205
147 H PHE 23 H PHE 23 5.175 6.619 0.898
148 HA PHE 23 HA PHE 23 7.292 8.029 -0.532
149 HB2 PHE 23 HB2 PHE 23 6.436 8.144 2.364
150 HB3 PHE 23 HB1 PHE 23 7.886 8.938 1.763
151 HD1 PHE 23 HD1 PHE 23 4.226 8.919 1.675
152 HD2 PHE 23 HD2 PHE 23 7.752 10.935 0.443
153 HE1 PHE 23 HE1 PHE 23 2.871 10.873 1.026
154 HE2 PHE 23 HE2 PHE 23 6.409 12.893 -0.216
155 HZ PHE 23 HZ PHE 23 3.968 12.860 0.075
156 H GLY 24 H GLY 24 6.790 5.035 0.319
157 HA2 GLY 24 HA2 GLY 24 9.625 4.504 0.630
158 HA3 GLY 24 HA1 GLY 24 8.531 3.845 1.847
159 H ARG 25 H ARG 25 9.721 1.918 0.726
160 HA ARG 25 HA ARG 25 8.587 1.036 -1.744
161 HB2 ARG 25 HB2 ARG 25 9.648 -1.141 -1.295
162 HB3 ARG 25 HB1 ARG 25 10.787 0.158 -0.992
163 HG2 ARG 25 HG2 ARG 25 10.614 -0.112 1.360
164 HG3 ARG 25 HG1 ARG 25 9.194 -1.138 1.204
165 HD2 ARG 25 HD2 ARG 25 11.083 -2.517 1.742
166 HD3 ARG 25 HD1 ARG 25 10.605 -2.834 0.081
167 HE ARG 25 HE ARG 25 12.630 -0.888 0.123
168 HH11 ARG 25 HH11 ARG 25 12.168 -4.365 0.661
169 HH12 ARG 25 HH12 ARG 25 13.777 -4.791 0.349
170 HH21 ARG 25 HH21 ARG 25 14.843 -1.451 -0.292
171 HH22 ARG 25 HH22 ARG 25 15.368 -3.068 -0.205
172 H GLY 26 H GLY 26 6.639 0.054 -2.075
173 HA2 GLY 26 HA2 GLY 26 5.504 -1.771 -0.370
174 HA3 GLY 26 HA1 GLY 26 4.875 -0.195 0.081
175 H SER 27 H SER 27 3.400 -2.280 -0.832
176 HA SER 27 HA SER 27 2.329 -1.259 -3.369
177 HB2 SER 27 HB2 SER 27 1.873 -4.026 -2.242
178 HB3 SER 27 HB1 SER 27 1.722 -3.468 -3.909
179 HG SER 27 HG SER 27 3.811 -4.516 -2.631
180 H TYR 28 H TYR 28 0.153 -0.666 -3.106
181 HA TYR 28 HA TYR 28 -0.991 -1.256 -0.461
182 HB2 TYR 28 HB2 TYR 28 -1.998 0.921 -0.299
183 HB3 TYR 28 HB1 TYR 28 -0.281 1.130 -0.595
184 HD1 TYR 28 HD1 TYR 28 -3.648 1.767 -1.820
185 HD2 TYR 28 HD2 TYR 28 0.480 1.886 -2.855
186 HE1 TYR 28 HE1 TYR 28 -4.168 3.221 -3.702
187 HE2 TYR 28 HE2 TYR 28 -0.030 3.340 -4.737
188 HH TYR 28 HH TYR 28 -1.882 3.909 -6.144
189 H SER 29 H SER 29 -3.181 -1.540 -0.323
190 HA SER 29 HA SER 29 -4.692 -1.524 -2.806
191 HB2 SER 29 HB2 SER 29 -5.674 -3.723 -2.129
192 HB3 SER 29 HB1 SER 29 -3.955 -3.816 -2.529
193 HG SER 29 HG SER 29 -5.222 -4.338 -0.163
194 H PHE 30 H PHE 30 -7.093 -1.751 -2.228
195 HA PHE 30 HA PHE 30 -7.547 -0.262 0.249
196 HB2 PHE 30 HB2 PHE 30 -9.354 -0.578 -2.165
197 HB3 PHE 30 HB1 PHE 30 -9.693 0.418 -0.753
198 HD1 PHE 30 HD1 PHE 30 -8.026 2.308 -0.227
199 HD2 PHE 30 HD2 PHE 30 -8.214 0.309 -3.978
200 HE1 PHE 30 HE1 PHE 30 -6.849 4.188 -1.286
201 HE2 PHE 30 HE2 PHE 30 -7.039 2.187 -5.042
202 HZ PHE 30 HZ PHE 30 -6.357 4.132 -3.698
203 H GLU 31 H GLU 31 -7.343 -3.240 -0.565
204 HA GLU 31 HA GLU 31 -9.522 -4.158 1.166
205 HB2 GLU 31 HB2 GLU 31 -10.085 -4.662 -1.181
206 HB3 GLU 31 HB1 GLU 31 -8.542 -5.470 -1.390
207 HG2 GLU 31 HG2 GLU 31 -10.449 -7.011 -1.143
208 HG3 GLU 31 HG1 GLU 31 -9.218 -7.222 0.102
209 H LEU 32 H LEU 32 -8.991 -6.080 2.332
210 HA LEU 32 HA LEU 32 -6.162 -6.203 2.965
211 HB2 LEU 32 HB2 LEU 32 -8.593 -7.317 4.318
212 HB3 LEU 32 HB1 LEU 32 -6.963 -7.684 4.840
213 HG LEU 32 HG LEU 32 -8.169 -4.913 4.785
214 HD11 LEU 32 HD11 LEU 32 -7.666 -6.824 7.055
215 HD12 LEU 32 HD12 LEU 32 -9.247 -6.308 6.456
216 HD13 LEU 32 HD13 LEU 32 -8.167 -5.145 7.228
217 HD21 LEU 32 HD21 LEU 32 -5.577 -5.967 5.908
218 HD22 LEU 32 HD22 LEU 32 -6.202 -4.334 6.120
219 HD23 LEU 32 HD23 LEU 32 -5.750 -4.896 4.515
220 H GLN 33 H GLN 33 -4.919 -7.872 2.706
221 HA GLN 33 HA GLN 33 -4.026 -9.686 1.751
222 HB2 GLN 33 HB2 GLN 33 -6.583 -11.003 2.660
223 HB3 GLN 33 HB1 GLN 33 -5.091 -11.827 2.243
224 HG2 GLN 33 HG2 GLN 33 -5.516 -9.936 4.544
225 HG3 GLN 33 HG1 GLN 33 -5.343 -11.687 4.638
226 HE21 GLN 33 1HE2 GLN 33 -3.315 -12.586 4.310
227 HE22 GLN 33 2HE2 GLN 33 -1.863 -11.661 4.443
228 HA PRO 34 HA PRO 34 -6.517 -9.872 -2.145
229 HB2 PRO 34 HB2 PRO 34 -5.706 -7.778 -3.542
230 HB3 PRO 34 HB1 PRO 34 -6.842 -7.538 -2.209
231 HG2 PRO 34 HG2 PRO 34 -3.916 -6.980 -2.323
232 HG3 PRO 34 HG1 PRO 34 -5.198 -6.082 -1.496
233 HD2 PRO 34 HD2 PRO 34 -3.468 -8.004 -0.333
234 HD3 PRO 34 HD1 PRO 34 -4.915 -7.295 0.399
235 HA PRO 35 HA PRO 35 -2.975 -11.597 -4.312
236 HB2 PRO 35 HB2 PRO 35 -3.759 -11.463 -6.927
237 HB3 PRO 35 HB1 PRO 35 -4.401 -12.654 -5.793
238 HG2 PRO 35 HG2 PRO 35 -5.613 -10.117 -6.768
239 HG3 PRO 35 HG1 PRO 35 -6.385 -11.669 -6.419
240 HD2 PRO 35 HD2 PRO 35 -6.460 -9.508 -4.742
241 HD3 PRO 35 HD1 PRO 35 -6.621 -11.187 -4.200
242 HA PRO 36 HA PRO 36 0.029 -8.524 -5.250
243 HB2 PRO 36 HB2 PRO 36 0.857 -9.512 -7.795
244 HB3 PRO 36 HB1 PRO 36 1.646 -9.739 -6.238
245 HG2 PRO 36 HG2 PRO 36 -0.189 -11.535 -7.708
246 HG3 PRO 36 HG1 PRO 36 1.062 -11.935 -6.522
247 HD2 PRO 36 HD2 PRO 36 -1.542 -12.097 -5.939
248 HD3 PRO 36 HD1 PRO 36 -0.356 -11.562 -4.722
249 H TRP 37 H TRP 37 -1.902 -9.295 -8.114
250 HA TRP 37 HA TRP 37 -1.278 -6.874 -9.444
251 HB2 TRP 37 HB2 TRP 37 -3.178 -7.539 -10.998
252 HB3 TRP 37 HB1 TRP 37 -1.832 -8.658 -10.857
253 HD1 TRP 37 HD TRP 37 -5.539 -8.303 -9.792
254 HE1 TRP 37 HE1 TRP 37 -6.455 -10.642 -9.299
255 HE3 TRP 37 3HE TRP 37 -1.197 -10.982 -10.219
256 HZ2 TRP 37 HZ2 TRP 37 -5.476 -13.298 -9.122
257 HZ3 TRP 37 HZ3 TRP 37 -1.279 -13.417 -9.861
258 HH2 TRP 37 HH TRP 37 -3.374 -14.543 -9.329
259 H GLU 38 H GLU 38 -3.435 -7.465 -6.912
260 HA GLU 38 HA GLU 38 -5.155 -5.260 -7.665
261 HB2 GLU 38 HB2 GLU 38 -5.252 -7.206 -5.385
262 HB3 GLU 38 HB1 GLU 38 -6.408 -5.891 -5.583
263 HG2 GLU 38 HG2 GLU 38 -5.928 -8.172 -7.484
264 HG3 GLU 38 HG1 GLU 38 -7.334 -7.980 -6.439
265 H CYS 39 H CYS 39 -2.255 -5.632 -6.163
266 HA CYS 39 HA CYS 39 -2.689 -3.320 -4.446
267 HB2 CYS 39 HB2 CYS 39 -0.268 -5.106 -4.749
268 HB3 CYS 39 HB1 CYS 39 -0.358 -3.699 -3.697
269 H TYR 40 H TYR 40 -1.753 -1.444 -4.858
270 HA TYR 40 HA TYR 40 -0.777 -1.109 -7.587
271 HB2 TYR 40 HB2 TYR 40 -1.719 1.022 -5.663
272 HB3 TYR 40 HB1 TYR 40 -1.522 1.155 -7.410
273 HD1 TYR 40 HD1 TYR 40 -3.021 -0.292 -8.883
274 HD2 TYR 40 HD2 TYR 40 -3.781 0.359 -4.752
275 HE1 TYR 40 HE1 TYR 40 -5.327 -1.014 -9.198
276 HE2 TYR 40 HE2 TYR 40 -6.095 -0.358 -5.057
277 HH TYR 40 HH TYR 40 -7.103 -2.000 -7.764
278 H GLN 41 H GLN 41 1.165 -0.180 -7.948
279 HA GLN 41 HA GLN 41 2.988 -0.165 -5.707
280 HB2 GLN 41 HB2 GLN 41 3.447 0.212 -8.658
281 HB3 GLN 41 HB1 GLN 41 4.724 0.242 -7.456
282 HG2 GLN 41 HG2 GLN 41 4.164 -2.077 -6.842
283 HG3 GLN 41 HG1 GLN 41 2.942 -2.092 -8.111
284 HE21 GLN 41 1HE2 GLN 41 4.594 -0.510 -9.930
285 HE22 GLN 41 2HE2 GLN 41 5.813 -1.566 -10.512
286 H CYS 42 H CYS 42 4.090 1.577 -4.989
287 HA CYS 42 HA CYS 42 2.964 4.165 -5.651
288 HB2 CYS 42 HB2 CYS 42 4.678 3.166 -3.405
289 HB3 CYS 42 HB1 CYS 42 4.323 4.869 -3.654
Start of MODEL 5
1 H PCA 1 H PGL 1 -10.748 1.788 3.316
2 HA PCA 1 HA PGL 1 -11.094 3.993 2.122
3 HB2 PCA 1 HB1 PGL 1 -12.171 5.554 3.369
4 HB3 PCA 1 HB2 PGL 1 -10.810 5.585 4.526
5 HG2 PCA 1 HG1 PGL 1 -13.411 4.249 4.783
6 HG3 PCA 1 HG2 PGL 1 -12.114 4.466 6.009
7 H GLU 2 H GLU 2 -9.152 3.006 4.787
8 HA GLU 2 HA GLU 2 -6.921 4.703 4.227
9 HB2 GLU 2 HB2 GLU 2 -6.873 2.049 5.696
10 HB3 GLU 2 HB1 GLU 2 -5.649 3.299 5.724
11 HG2 GLU 2 HG2 GLU 2 -6.736 3.436 7.787
12 HG3 GLU 2 HG1 GLU 2 -7.369 4.771 6.828
13 H ALA 3 H ALA 3 -5.031 4.164 3.092
14 HA ALA 3 HA ALA 3 -5.294 1.981 1.234
15 HB1 ALA 3 HB1 ALA 3 -3.007 3.920 1.686
16 HB2 ALA 3 HB2 ALA 3 -4.298 4.124 0.503
17 HB3 ALA 3 HB3 ALA 3 -3.154 2.795 0.335
18 H PHE 4 H PHE 4 -4.677 0.047 1.737
19 HA PHE 4 HA PHE 4 -3.291 -0.460 4.215
20 HB2 PHE 4 HB2 PHE 4 -4.344 -2.375 2.134
21 HB3 PHE 4 HB1 PHE 4 -3.823 -2.820 3.748
22 HD1 PHE 4 HD1 PHE 4 -5.090 -1.270 5.644
23 HD2 PHE 4 HD2 PHE 4 -6.576 -2.297 1.797
24 HE1 PHE 4 HE1 PHE 4 -7.399 -0.919 6.439
25 HE2 PHE 4 HE2 PHE 4 -8.875 -1.946 2.585
26 HZ PHE 4 HZ PHE 4 -9.293 -1.264 4.887
27 H CYS 5 H CYS 5 -1.200 -0.725 4.355
28 HA CYS 5 HA CYS 5 0.316 -0.674 1.888
29 HB2 CYS 5 HB2 CYS 5 1.183 -0.238 4.730
30 HB3 CYS 5 HB1 CYS 5 2.130 0.079 3.280
31 H TYR 6 H TYR 6 1.543 -2.257 1.253
32 HA TYR 6 HA TYR 6 2.312 -4.392 3.123
33 HB2 TYR 6 HB2 TYR 6 1.653 -4.955 0.184
34 HB3 TYR 6 HB1 TYR 6 2.039 -6.069 1.443
35 HD1 TYR 6 HD1 TYR 6 -0.643 -3.685 0.451
36 HD2 TYR 6 HD2 TYR 6 0.393 -7.131 2.707
37 HE1 TYR 6 HE1 TYR 6 -2.988 -4.044 0.950
38 HE2 TYR 6 HE2 TYR 6 -1.938 -7.506 3.232
39 HH TYR 6 HH TYR 6 -4.516 -5.664 1.691
40 H SER 7 H SER 7 4.390 -4.607 3.199
41 HA SER 7 HA SER 7 5.994 -2.884 1.613
42 HB2 SER 7 HB2 SER 7 7.859 -3.999 2.900
43 HB3 SER 7 HB1 SER 7 6.539 -3.320 3.875
44 HG SER 7 HG SER 7 7.279 -5.936 3.470
45 H ASP 8 H ASP 8 4.994 -6.119 1.475
46 HA ASP 8 HA ASP 8 6.883 -6.875 -0.573
47 HB2 ASP 8 HB2 ASP 8 6.183 -8.570 1.050
48 HB3 ASP 8 HB1 ASP 8 4.505 -8.358 0.560
49 H ARG 9 H ARG 9 6.460 -7.007 -2.707
50 HA ARG 9 HA ARG 9 4.366 -5.345 -3.716
51 HB2 ARG 9 HB2 ARG 9 6.568 -6.888 -5.063
52 HB3 ARG 9 HB1 ARG 9 5.334 -6.057 -5.980
53 HG2 ARG 9 HG2 ARG 9 7.361 -4.730 -5.875
54 HG3 ARG 9 HG1 ARG 9 6.064 -3.915 -5.013
55 HD2 ARG 9 HD2 ARG 9 7.005 -4.511 -2.900
56 HD3 ARG 9 HD1 ARG 9 8.150 -5.612 -3.663
57 HE ARG 9 HE ARG 9 8.704 -3.225 -4.784
58 HH11 ARG 9 HH11 ARG 9 8.383 -4.095 -1.332
59 HH12 ARG 9 HH12 ARG 9 9.775 -3.253 -0.878
60 HH21 ARG 9 HH21 ARG 9 10.614 -2.094 -4.097
61 HH22 ARG 9 HH22 ARG 9 11.100 -2.123 -2.468
62 H PHE 10 H PHE 10 4.346 -8.590 -2.864
63 HA PHE 10 HA PHE 10 2.347 -9.192 -4.902
64 HB2 PHE 10 HB2 PHE 10 4.027 -11.058 -3.226
65 HB3 PHE 10 HB1 PHE 10 2.860 -11.555 -4.444
66 HD1 PHE 10 HD1 PHE 10 3.306 -11.109 -6.833
67 HD2 PHE 10 HD2 PHE 10 6.206 -10.317 -3.820
68 HE1 PHE 10 HE1 PHE 10 5.049 -10.974 -8.546
69 HE2 PHE 10 HE2 PHE 10 7.955 -10.183 -5.538
70 HZ PHE 10 HZ PHE 10 7.373 -10.512 -7.908
71 H CYS 11 H CYS 11 2.311 -7.799 -2.192
72 HA CYS 11 HA CYS 11 0.685 -7.371 -0.642
73 HB2 CYS 11 HB2 CYS 11 -0.929 -9.663 -1.774
74 HB3 CYS 11 HB1 CYS 11 -1.507 -8.250 -0.898
75 H GLN 12 H GLN 12 2.760 -9.657 -0.391
76 HA GLN 12 HA GLN 12 1.431 -11.440 1.418
77 HB2 GLN 12 HB2 GLN 12 4.263 -11.303 0.459
78 HB3 GLN 12 HB1 GLN 12 3.741 -12.446 1.685
79 HG2 GLN 12 HG2 GLN 12 2.616 -12.245 -1.104
80 HG3 GLN 12 HG1 GLN 12 3.807 -13.426 -0.562
81 HE21 GLN 12 1HE2 GLN 12 2.544 -13.842 2.037
82 HE22 GLN 12 2HE2 GLN 12 1.107 -14.736 1.733
83 H ASN 13 H ASN 13 2.937 -8.425 1.927
84 HA ASN 13 HA ASN 13 3.172 -9.177 4.763
85 HB2 ASN 13 HB2 ASN 13 5.251 -7.624 3.232
86 HB3 ASN 13 HB1 ASN 13 5.126 -7.550 4.980
87 HD21 ASN 13 HD21 ASN 13 7.293 -8.478 3.334
88 HD22 ASN 13 HD22 ASN 13 7.605 -10.097 3.807
89 H TYR 14 H TYR 14 1.330 -8.242 5.372
90 HA TYR 14 HA TYR 14 0.633 -5.582 4.681
91 HB2 TYR 14 HB2 TYR 14 -1.082 -7.230 5.224
92 HB3 TYR 14 HB1 TYR 14 -0.401 -7.450 6.827
93 HD1 TYR 14 HD1 TYR 14 -1.512 -6.436 8.552
94 HD2 TYR 14 HD2 TYR 14 -1.705 -4.636 4.705
95 HE1 TYR 14 HE1 TYR 14 -2.983 -4.719 9.443
96 HE2 TYR 14 HE2 TYR 14 -3.191 -2.896 5.598
97 HH TYR 14 HH TYR 14 -4.797 -2.626 7.531
98 H ILE 15 H ILE 15 1.485 -3.776 5.603
99 HA ILE 15 HA ILE 15 2.858 -4.115 8.187
100 HB ILE 15 HB ILE 15 4.308 -2.217 7.602
101 HG12 ILE 15 HG12 ILE 15 2.964 -2.329 4.886
102 HG13 ILE 15 HG11 ILE 15 2.743 -1.055 6.077
103 HG21 ILE 15 HG21 ILE 15 5.651 -3.356 5.896
104 HG22 ILE 15 HG22 ILE 15 4.284 -4.408 5.532
105 HG23 ILE 15 HG23 ILE 15 5.053 -4.481 7.116
106 HD11 ILE 15 HD11 ILE 15 4.268 -0.370 4.314
107 HD12 ILE 15 HD12 ILE 15 5.323 -1.736 4.679
108 HD13 ILE 15 HD13 ILE 15 5.101 -0.452 5.865
109 H GLY 16 H GLY 16 0.069 -3.035 7.130
110 HA2 GLY 16 HA2 GLY 16 -1.311 -1.961 8.852
111 HA3 GLY 16 HA1 GLY 16 0.015 -0.820 9.077
112 H SER 17 H SER 17 -1.634 0.831 8.617
113 HA SER 17 HA SER 17 -1.679 1.313 5.769
114 HB2 SER 17 HB2 SER 17 -4.089 2.099 6.024
115 HB3 SER 17 HB1 SER 17 -3.834 0.358 6.051
116 HG SER 17 HG SER 17 -3.721 0.676 8.425
117 H ILE 18 H ILE 18 -1.204 3.369 5.306
118 HA ILE 18 HA ILE 18 -1.420 5.415 7.337
119 HB ILE 18 HB ILE 18 0.983 6.130 6.887
120 HG12 ILE 18 HG12 ILE 18 1.228 3.296 5.843
121 HG13 ILE 18 HG11 ILE 18 1.379 4.768 4.896
122 HG21 ILE 18 HG21 ILE 18 1.986 4.609 8.534
123 HG22 ILE 18 HG22 ILE 18 0.575 3.558 8.384
124 HG23 ILE 18 HG23 ILE 18 0.392 5.192 9.017
125 HD11 ILE 18 HD11 ILE 18 3.224 3.906 7.114
126 HD12 ILE 18 HD12 ILE 18 3.391 5.364 6.131
127 HD13 ILE 18 HD13 ILE 18 3.548 3.774 5.386
128 HA PRO 19 HA PRO 19 -2.036 7.817 3.593
129 HB2 PRO 19 HB2 PRO 19 -1.151 10.264 4.849
130 HB3 PRO 19 HB1 PRO 19 -2.805 9.758 4.514
131 HG2 PRO 19 HG2 PRO 19 -1.760 9.990 7.039
132 HG3 PRO 19 HG1 PRO 19 -3.105 8.918 6.623
133 HD2 PRO 19 HD2 PRO 19 -0.218 8.280 7.024
134 HD3 PRO 19 HD1 PRO 19 -1.667 7.366 7.501
135 H ASP 20 H ASP 20 0.865 7.463 5.107
136 HA ASP 20 HA ASP 20 2.427 8.924 3.082
137 HB2 ASP 20 HB2 ASP 20 3.358 7.664 5.681
138 HB3 ASP 20 HB1 ASP 20 4.303 8.712 4.631
139 H CYS 21 H CYS 21 0.991 6.434 2.724
140 HA CYS 21 HA CYS 21 2.442 4.106 3.142
141 HB2 CYS 21 HB2 CYS 21 -0.012 4.382 2.558
142 HB3 CYS 21 HB1 CYS 21 0.512 4.511 0.881
143 H CYS 22 H CYS 22 2.426 6.235 0.315
144 HA CYS 22 HA CYS 22 4.334 4.451 -0.954
145 HB2 CYS 22 HB2 CYS 22 2.746 6.746 -2.063
146 HB3 CYS 22 HB1 CYS 22 3.968 5.858 -2.970
147 H PHE 23 H PHE 23 4.918 6.421 1.281
148 HA PHE 23 HA PHE 23 6.985 7.977 -0.032
149 HB2 PHE 23 HB2 PHE 23 6.034 7.808 2.827
150 HB3 PHE 23 HB1 PHE 23 7.523 8.638 2.396
151 HD1 PHE 23 HD1 PHE 23 3.885 8.593 1.556
152 HD2 PHE 23 HD2 PHE 23 7.445 10.882 1.888
153 HE1 PHE 23 HE1 PHE 23 2.596 10.650 1.131
154 HE2 PHE 23 HE2 PHE 23 6.173 12.937 1.458
155 HZ PHE 23 HZ PHE 23 3.744 12.824 1.080
156 H GLY 24 H GLY 24 6.615 4.927 0.642
157 HA2 GLY 24 HA2 GLY 24 9.462 4.445 0.920
158 HA3 GLY 24 HA1 GLY 24 8.339 3.579 1.975
159 H ARG 25 H ARG 25 9.864 2.140 0.204
160 HA ARG 25 HA ARG 25 8.347 1.693 -2.200
161 HB2 ARG 25 HB2 ARG 25 10.540 -0.012 -1.004
162 HB3 ARG 25 HB1 ARG 25 9.916 -0.130 -2.637
163 HG2 ARG 25 HG2 ARG 25 11.514 2.151 -1.473
164 HG3 ARG 25 HG1 ARG 25 12.049 0.973 -2.665
165 HD2 ARG 25 HD2 ARG 25 9.897 3.051 -3.041
166 HD3 ARG 25 HD1 ARG 25 11.531 3.115 -3.689
167 HE ARG 25 HE ARG 25 10.388 0.757 -4.597
168 HH11 ARG 25 HH11 ARG 25 9.807 4.215 -4.979
169 HH12 ARG 25 HH12 ARG 25 9.129 4.069 -6.534
170 HH21 ARG 25 HH21 ARG 25 9.510 0.550 -6.693
171 HH22 ARG 25 HH22 ARG 25 8.957 1.911 -7.561
172 H GLY 26 H GLY 26 6.857 0.097 -2.580
173 HA2 GLY 26 HA2 GLY 26 6.388 -2.232 -1.394
174 HA3 GLY 26 HA1 GLY 26 5.690 -1.097 -0.243
175 H SER 27 H SER 27 3.664 -2.060 -0.704
176 HA SER 27 HA SER 27 2.446 -1.090 -3.188
177 HB2 SER 27 HB2 SER 27 1.731 -3.663 -1.777
178 HB3 SER 27 HB1 SER 27 1.231 -3.119 -3.379
179 HG SER 27 HG SER 27 3.559 -4.273 -2.511
180 H TYR 28 H TYR 28 0.061 -0.922 -2.901
181 HA TYR 28 HA TYR 28 -0.928 -0.854 -0.193
182 HB2 TYR 28 HB2 TYR 28 -1.877 1.381 -0.399
183 HB3 TYR 28 HB1 TYR 28 -0.137 1.473 -0.598
184 HD1 TYR 28 HD1 TYR 28 0.750 1.627 -3.003
185 HD2 TYR 28 HD2 TYR 28 -3.319 2.335 -2.002
186 HE1 TYR 28 HE1 TYR 28 0.464 2.843 -5.086
187 HE2 TYR 28 HE2 TYR 28 -3.622 3.566 -4.103
188 HH TYR 28 HH TYR 28 -1.429 3.386 -6.623
189 H SER 29 H SER 29 -3.159 -1.125 -0.132
190 HA SER 29 HA SER 29 -4.562 -1.304 -2.671
191 HB2 SER 29 HB2 SER 29 -5.526 -3.495 -2.003
192 HB3 SER 29 HB1 SER 29 -3.778 -3.584 -2.226
193 HG SER 29 HG SER 29 -5.217 -4.169 -0.059
194 H PHE 30 H PHE 30 -6.960 -1.634 -2.166
195 HA PHE 30 HA PHE 30 -7.585 -0.105 0.251
196 HB2 PHE 30 HB2 PHE 30 -9.094 -0.259 -2.370
197 HB3 PHE 30 HB1 PHE 30 -9.636 0.635 -0.953
198 HD1 PHE 30 HD1 PHE 30 -7.998 2.457 -0.070
199 HD2 PHE 30 HD2 PHE 30 -7.827 0.797 -3.989
200 HE1 PHE 30 HE1 PHE 30 -6.734 4.413 -0.842
201 HE2 PHE 30 HE2 PHE 30 -6.558 2.754 -4.766
202 HZ PHE 30 HZ PHE 30 -6.010 4.566 -3.192
203 H GLU 31 H GLU 31 -7.247 -3.000 -0.487
204 HA GLU 31 HA GLU 31 -9.617 -3.990 0.891
205 HB2 GLU 31 HB2 GLU 31 -9.940 -4.424 -1.506
206 HB3 GLU 31 HB1 GLU 31 -8.353 -5.166 -1.591
207 HG2 GLU 31 HG2 GLU 31 -9.111 -6.988 -0.172
208 HG3 GLU 31 HG1 GLU 31 -10.700 -6.238 -0.035
209 H LEU 32 H LEU 32 -9.136 -5.633 2.312
210 HA LEU 32 HA LEU 32 -6.347 -6.004 2.941
211 HB2 LEU 32 HB2 LEU 32 -8.861 -6.985 4.265
212 HB3 LEU 32 HB1 LEU 32 -7.250 -7.333 4.859
213 HG LEU 32 HG LEU 32 -8.386 -4.545 4.591
214 HD11 LEU 32 HD11 LEU 32 -8.076 -6.310 6.993
215 HD12 LEU 32 HD12 LEU 32 -9.609 -5.862 6.237
216 HD13 LEU 32 HD13 LEU 32 -8.605 -4.627 7.012
217 HD21 LEU 32 HD21 LEU 32 -6.503 -3.932 6.001
218 HD22 LEU 32 HD22 LEU 32 -5.941 -4.661 4.501
219 HD23 LEU 32 HD23 LEU 32 -5.937 -5.598 5.998
220 H GLN 33 H GLN 33 -5.183 -7.703 2.601
221 HA GLN 33 HA GLN 33 -4.379 -9.505 1.562
222 HB2 GLN 33 HB2 GLN 33 -6.935 -10.799 2.535
223 HB3 GLN 33 HB1 GLN 33 -5.512 -11.662 1.976
224 HG2 GLN 33 HG2 GLN 33 -5.693 -9.897 4.413
225 HG3 GLN 33 HG1 GLN 33 -5.624 -11.656 4.394
226 HE21 GLN 33 1HE2 GLN 33 -3.669 -12.665 3.943
227 HE22 GLN 33 2HE2 GLN 33 -2.171 -11.829 3.980
228 HA PRO 34 HA PRO 34 -6.869 -9.337 -2.274
229 HB2 PRO 34 HB2 PRO 34 -5.303 -7.433 -3.561
230 HB3 PRO 34 HB1 PRO 34 -6.797 -7.095 -2.685
231 HG2 PRO 34 HG2 PRO 34 -4.169 -6.259 -1.988
232 HG3 PRO 34 HG1 PRO 34 -5.649 -6.051 -1.043
233 HD2 PRO 34 HD2 PRO 34 -3.525 -8.118 -0.807
234 HD3 PRO 34 HD1 PRO 34 -4.576 -7.425 0.449
235 HA PRO 35 HA PRO 35 -4.028 -11.913 -4.653
236 HB2 PRO 35 HB2 PRO 35 -4.915 -10.412 -7.060
237 HB3 PRO 35 HB1 PRO 35 -4.963 -12.148 -6.755
238 HG2 PRO 35 HG2 PRO 35 -7.169 -10.624 -6.722
239 HG3 PRO 35 HG1 PRO 35 -6.986 -12.031 -5.655
240 HD2 PRO 35 HD2 PRO 35 -6.821 -9.128 -5.032
241 HD3 PRO 35 HD1 PRO 35 -7.357 -10.479 -4.017
242 HA PRO 36 HA PRO 36 -0.321 -9.518 -4.912
243 HB2 PRO 36 HB2 PRO 36 0.832 -10.694 -7.188
244 HB3 PRO 36 HB1 PRO 36 1.028 -11.231 -5.518
245 HG2 PRO 36 HG2 PRO 36 -0.813 -12.243 -7.630
246 HG3 PRO 36 HG1 PRO 36 0.032 -13.135 -6.355
247 HD2 PRO 36 HD2 PRO 36 -2.578 -12.612 -6.182
248 HD3 PRO 36 HD1 PRO 36 -1.542 -12.556 -4.742
249 H TRP 37 H TRP 37 -1.992 -9.951 -7.971
250 HA TRP 37 HA TRP 37 -0.730 -7.692 -9.208
251 HB2 TRP 37 HB2 TRP 37 -2.390 -8.132 -11.059
252 HB3 TRP 37 HB1 TRP 37 -1.303 -9.459 -10.674
253 HD1 TRP 37 HD TRP 37 -5.033 -8.429 -10.181
254 HE1 TRP 37 HE1 TRP 37 -6.395 -10.559 -9.873
255 HE3 TRP 37 3HE TRP 37 -1.210 -11.843 -10.012
256 HZ2 TRP 37 HZ2 TRP 37 -5.945 -13.331 -9.577
257 HZ3 TRP 37 HZ3 TRP 37 -1.775 -14.214 -9.705
258 HH2 TRP 37 HH TRP 37 -4.098 -14.937 -9.492
259 H GLU 38 H GLU 38 -3.312 -7.982 -7.060
260 HA GLU 38 HA GLU 38 -4.806 -5.792 -8.172
261 HB2 GLU 38 HB2 GLU 38 -5.239 -7.573 -5.814
262 HB3 GLU 38 HB1 GLU 38 -6.244 -6.156 -6.112
263 HG2 GLU 38 HG2 GLU 38 -5.813 -8.391 -8.062
264 HG3 GLU 38 HG1 GLU 38 -7.215 -8.269 -7.012
265 H CYS 39 H CYS 39 -2.426 -6.269 -5.723
266 HA CYS 39 HA CYS 39 -2.939 -3.802 -4.408
267 HB2 CYS 39 HB2 CYS 39 -0.394 -5.433 -4.513
268 HB3 CYS 39 HB1 CYS 39 -0.658 -4.038 -3.475
269 H TYR 40 H TYR 40 -2.244 -1.849 -4.829
270 HA TYR 40 HA TYR 40 -1.122 -1.287 -7.432
271 HB2 TYR 40 HB2 TYR 40 -1.853 0.606 -5.175
272 HB3 TYR 40 HB1 TYR 40 -1.673 1.002 -6.874
273 HD1 TYR 40 HD1 TYR 40 -3.838 -0.580 -4.382
274 HD2 TYR 40 HD2 TYR 40 -3.486 0.656 -8.414
275 HE1 TYR 40 HE1 TYR 40 -6.257 -0.904 -4.675
276 HE2 TYR 40 HE2 TYR 40 -5.887 0.346 -8.729
277 HH TYR 40 HH TYR 40 -7.670 -1.004 -7.722
278 H GLN 41 H GLN 41 1.036 -0.490 -7.619
279 HA GLN 41 HA GLN 41 2.563 -0.937 -5.182
280 HB2 GLN 41 HB2 GLN 41 3.554 -0.699 -8.024
281 HB3 GLN 41 HB1 GLN 41 4.533 -1.099 -6.621
282 HG2 GLN 41 HG2 GLN 41 3.197 -3.147 -6.298
283 HG3 GLN 41 HG1 GLN 41 2.284 -2.755 -7.753
284 HE21 GLN 41 1HE2 GLN 41 3.892 -5.092 -7.214
285 HE22 GLN 41 2HE2 GLN 41 5.119 -5.126 -8.428
286 H CYS 42 H CYS 42 4.115 0.520 -4.468
287 HA CYS 42 HA CYS 42 3.606 3.279 -5.238
288 HB2 CYS 42 HB2 CYS 42 5.133 2.105 -2.890
289 HB3 CYS 42 HB1 CYS 42 4.878 3.820 -3.173
Start of MODEL 6
1 H PCA 1 H PGL 1 -10.709 4.770 1.500
2 HA PCA 1 HA PGL 1 -9.181 6.771 1.481
3 HB2 PCA 1 HB1 PGL 1 -9.856 8.307 3.036
4 HB3 PCA 1 HB2 PGL 1 -9.155 7.265 4.303
5 HG2 PCA 1 HG1 PGL 1 -11.974 7.656 3.602
6 HG3 PCA 1 HG2 PGL 1 -11.262 6.777 5.000
7 H GLU 2 H GLU 2 -9.512 4.069 3.530
8 HA GLU 2 HA GLU 2 -6.913 4.020 4.670
9 HB2 GLU 2 HB2 GLU 2 -9.027 1.886 4.362
10 HB3 GLU 2 HB1 GLU 2 -7.529 1.669 5.250
11 HG2 GLU 2 HG2 GLU 2 -9.582 3.765 5.897
12 HG3 GLU 2 HG1 GLU 2 -9.506 2.177 6.660
13 H ALA 3 H ALA 3 -5.186 3.800 3.420
14 HA ALA 3 HA ALA 3 -5.253 1.817 1.282
15 HB1 ALA 3 HB1 ALA 3 -3.126 2.833 0.553
16 HB2 ALA 3 HB2 ALA 3 -3.194 3.948 1.915
17 HB3 ALA 3 HB3 ALA 3 -4.408 4.042 0.639
18 H PHE 4 H PHE 4 -4.491 -0.068 1.769
19 HA PHE 4 HA PHE 4 -3.079 -0.459 4.267
20 HB2 PHE 4 HB2 PHE 4 -4.197 -2.455 2.295
21 HB3 PHE 4 HB1 PHE 4 -3.605 -2.832 3.906
22 HD1 PHE 4 HD1 PHE 4 -4.815 -1.514 5.863
23 HD2 PHE 4 HD2 PHE 4 -6.432 -2.105 1.977
24 HE1 PHE 4 HE1 PHE 4 -7.072 -1.106 6.746
25 HE2 PHE 4 HE2 PHE 4 -8.693 -1.699 2.851
26 HZ PHE 4 HZ PHE 4 -9.019 -1.201 5.226
27 H CYS 5 H CYS 5 -0.994 -0.799 4.322
28 HA CYS 5 HA CYS 5 0.427 -0.819 1.789
29 HB2 CYS 5 HB2 CYS 5 1.394 -0.195 4.568
30 HB3 CYS 5 HB1 CYS 5 2.263 0.099 3.069
31 H TYR 6 H TYR 6 1.595 -2.488 1.224
32 HA TYR 6 HA TYR 6 2.349 -4.547 3.196
33 HB2 TYR 6 HB2 TYR 6 1.690 -5.124 0.268
34 HB3 TYR 6 HB1 TYR 6 1.994 -6.255 1.557
35 HD1 TYR 6 HD1 TYR 6 -0.496 -3.889 0.220
36 HD2 TYR 6 HD2 TYR 6 0.255 -6.994 3.022
37 HE1 TYR 6 HE1 TYR 6 -2.879 -4.066 0.642
38 HE2 TYR 6 HE2 TYR 6 -2.142 -7.177 3.468
39 HH TYR 6 HH TYR 6 -4.490 -5.509 1.503
40 H SER 7 H SER 7 4.425 -4.993 3.209
41 HA SER 7 HA SER 7 6.193 -3.347 1.713
42 HB2 SER 7 HB2 SER 7 7.855 -4.801 2.994
43 HB3 SER 7 HB1 SER 7 6.666 -3.876 3.940
44 HG SER 7 HG SER 7 6.954 -6.174 4.496
45 H ASP 8 H ASP 8 5.018 -6.535 1.657
46 HA ASP 8 HA ASP 8 6.747 -7.581 -0.370
47 HB2 ASP 8 HB2 ASP 8 5.770 -9.047 1.272
48 HB3 ASP 8 HB1 ASP 8 4.150 -8.549 0.804
49 H ARG 9 H ARG 9 6.341 -7.759 -2.537
50 HA ARG 9 HA ARG 9 4.526 -5.810 -3.600
51 HB2 ARG 9 HB2 ARG 9 6.466 -7.645 -4.970
52 HB3 ARG 9 HB1 ARG 9 5.546 -6.366 -5.758
53 HG2 ARG 9 HG2 ARG 9 6.589 -4.731 -4.240
54 HG3 ARG 9 HG1 ARG 9 7.582 -6.028 -3.578
55 HD2 ARG 9 HD2 ARG 9 8.488 -6.437 -5.809
56 HD3 ARG 9 HD1 ARG 9 7.504 -5.089 -6.411
57 HE ARG 9 HE ARG 9 8.967 -4.136 -4.284
58 HH11 ARG 9 HH11 ARG 9 9.661 -5.263 -7.569
59 HH12 ARG 9 HH12 ARG 9 11.142 -4.438 -7.693
60 HH21 ARG 9 HH21 ARG 9 11.000 -2.990 -4.449
61 HH22 ARG 9 HH22 ARG 9 11.911 -3.107 -5.870
62 H PHE 10 H PHE 10 4.116 -8.987 -2.743
63 HA PHE 10 HA PHE 10 2.168 -9.418 -4.864
64 HB2 PHE 10 HB2 PHE 10 3.445 -11.483 -3.047
65 HB3 PHE 10 HB1 PHE 10 2.436 -11.799 -4.458
66 HD1 PHE 10 HD1 PHE 10 3.322 -10.980 -6.742
67 HD2 PHE 10 HD2 PHE 10 5.752 -11.317 -3.280
68 HE1 PHE 10 HE1 PHE 10 5.323 -10.955 -8.144
69 HE2 PHE 10 HE2 PHE 10 7.757 -11.315 -4.695
70 HZ PHE 10 HZ PHE 10 7.539 -11.128 -7.128
71 H CYS 11 H CYS 11 2.251 -7.992 -2.157
72 HA CYS 11 HA CYS 11 0.645 -7.261 -0.693
73 HB2 CYS 11 HB2 CYS 11 -1.244 -9.322 -1.836
74 HB3 CYS 11 HB1 CYS 11 -1.627 -7.831 -0.986
75 H GLN 12 H GLN 12 2.328 -9.892 -0.327
76 HA GLN 12 HA GLN 12 0.531 -11.306 1.453
77 HB2 GLN 12 HB2 GLN 12 3.313 -12.013 0.570
78 HB3 GLN 12 HB1 GLN 12 2.296 -13.009 1.604
79 HG2 GLN 12 HG2 GLN 12 0.639 -13.175 -0.193
80 HG3 GLN 12 HG1 GLN 12 1.670 -12.192 -1.227
81 HE21 GLN 12 1HE2 GLN 12 2.856 -14.681 0.964
82 HE22 GLN 12 2HE2 GLN 12 3.386 -15.741 -0.287
83 H ASN 13 H ASN 13 2.528 -8.731 1.959
84 HA ASN 13 HA ASN 13 2.781 -9.568 4.749
85 HB2 ASN 13 HB2 ASN 13 5.061 -8.310 3.196
86 HB3 ASN 13 HB1 ASN 13 5.034 -8.466 4.944
87 HD21 ASN 13 HD21 ASN 13 5.243 -10.541 5.861
88 HD22 ASN 13 HD22 ASN 13 5.845 -11.871 4.969
89 H TYR 14 H TYR 14 1.271 -8.374 5.533
90 HA TYR 14 HA TYR 14 0.735 -5.675 4.785
91 HB2 TYR 14 HB2 TYR 14 -1.050 -7.182 5.472
92 HB3 TYR 14 HB1 TYR 14 -0.286 -7.419 7.032
93 HD1 TYR 14 HD1 TYR 14 -0.728 -5.947 8.832
94 HD2 TYR 14 HD2 TYR 14 -2.007 -4.912 4.910
95 HE1 TYR 14 HE1 TYR 14 -2.044 -4.110 9.756
96 HE2 TYR 14 HE2 TYR 14 -3.324 -3.066 5.832
97 HH TYR 14 HH TYR 14 -4.408 -2.544 8.046
98 H ILE 15 H ILE 15 1.680 -3.885 5.635
99 HA ILE 15 HA ILE 15 3.118 -4.232 8.171
100 HB ILE 15 HB ILE 15 4.560 -2.323 7.536
101 HG12 ILE 15 HG12 ILE 15 3.245 -2.601 4.815
102 HG13 ILE 15 HG11 ILE 15 3.023 -1.252 5.918
103 HG21 ILE 15 HG21 ILE 15 5.931 -3.568 5.934
104 HG22 ILE 15 HG22 ILE 15 4.576 -4.657 5.635
105 HG23 ILE 15 HG23 ILE 15 5.323 -4.595 7.232
106 HD11 ILE 15 HD11 ILE 15 4.561 -0.694 4.123
107 HD12 ILE 15 HD12 ILE 15 5.607 -2.037 4.583
108 HD13 ILE 15 HD13 ILE 15 5.384 -0.675 5.682
109 H GLY 16 H GLY 16 0.402 -2.831 6.937
110 HA2 GLY 16 HA2 GLY 16 -0.847 -1.807 8.890
111 HA3 GLY 16 HA1 GLY 16 0.492 -0.662 8.915
112 H SER 17 H SER 17 -1.502 0.756 8.618
113 HA SER 17 HA SER 17 -1.786 1.245 5.752
114 HB2 SER 17 HB2 SER 17 -4.142 2.027 6.366
115 HB3 SER 17 HB1 SER 17 -3.875 0.285 6.423
116 HG SER 17 HG SER 17 -3.465 1.833 8.726
117 H ILE 18 H ILE 18 -1.295 3.329 5.253
118 HA ILE 18 HA ILE 18 -1.342 5.378 7.301
119 HB ILE 18 HB ILE 18 1.019 6.096 6.686
120 HG12 ILE 18 HG12 ILE 18 1.196 3.257 5.647
121 HG13 ILE 18 HG11 ILE 18 1.323 4.728 4.692
122 HG21 ILE 18 HG21 ILE 18 0.576 5.204 8.854
123 HG22 ILE 18 HG22 ILE 18 2.124 4.584 8.274
124 HG23 ILE 18 HG23 ILE 18 0.693 3.555 8.244
125 HD11 ILE 18 HD11 ILE 18 3.253 3.825 6.820
126 HD12 ILE 18 HD12 ILE 18 3.396 5.300 5.862
127 HD13 ILE 18 HD13 ILE 18 3.505 3.722 5.078
128 HA PRO 19 HA PRO 19 -2.277 7.773 3.678
129 HB2 PRO 19 HB2 PRO 19 -2.000 10.268 4.633
130 HB3 PRO 19 HB1 PRO 19 -3.309 9.203 5.157
131 HG2 PRO 19 HG2 PRO 19 -0.772 9.907 6.554
132 HG3 PRO 19 HG1 PRO 19 -2.392 9.676 7.225
133 HD2 PRO 19 HD2 PRO 19 -0.370 7.784 7.289
134 HD3 PRO 19 HD1 PRO 19 -2.101 7.427 7.439
135 H ASP 20 H ASP 20 0.789 7.614 4.995
136 HA ASP 20 HA ASP 20 1.937 9.163 2.779
137 HB2 ASP 20 HB2 ASP 20 3.984 9.358 4.100
138 HB3 ASP 20 HB1 ASP 20 2.624 9.944 5.042
139 H CYS 21 H CYS 21 0.839 6.542 2.649
140 HA CYS 21 HA CYS 21 2.575 4.398 2.961
141 HB2 CYS 21 HB2 CYS 21 0.069 4.393 2.487
142 HB3 CYS 21 HB1 CYS 21 0.495 4.598 0.794
143 H CYS 22 H CYS 22 2.293 6.647 0.244
144 HA CYS 22 HA CYS 22 4.149 5.054 -1.290
145 HB2 CYS 22 HB2 CYS 22 2.526 7.471 -2.025
146 HB3 CYS 22 HB1 CYS 22 3.721 6.750 -3.102
147 H PHE 23 H PHE 23 4.707 7.011 1.101
148 HA PHE 23 HA PHE 23 6.933 8.370 -0.179
149 HB2 PHE 23 HB2 PHE 23 5.787 8.567 2.605
150 HB3 PHE 23 HB1 PHE 23 7.309 9.334 2.154
151 HD1 PHE 23 HD1 PHE 23 7.363 11.199 0.625
152 HD2 PHE 23 HD2 PHE 23 3.687 9.396 1.737
153 HE1 PHE 23 HE1 PHE 23 6.150 13.125 -0.283
154 HE2 PHE 23 HE2 PHE 23 2.466 11.327 0.835
155 HZ PHE 23 HZ PHE 23 3.697 13.195 -0.180
156 H GLY 24 H GLY 24 6.479 5.461 0.433
157 HA2 GLY 24 HA2 GLY 24 9.239 4.877 0.905
158 HA3 GLY 24 HA1 GLY 24 8.077 4.136 2.022
159 H ARG 25 H ARG 25 9.596 2.614 0.155
160 HA ARG 25 HA ARG 25 7.869 2.120 -2.079
161 HB2 ARG 25 HB2 ARG 25 10.309 0.652 -1.096
162 HB3 ARG 25 HB1 ARG 25 9.387 0.160 -2.505
163 HG2 ARG 25 HG2 ARG 25 9.882 2.347 -3.545
164 HG3 ARG 25 HG1 ARG 25 10.885 2.748 -2.145
165 HD2 ARG 25 HD2 ARG 25 12.311 0.838 -2.588
166 HD3 ARG 25 HD1 ARG 25 11.279 0.357 -3.932
167 HE ARG 25 HE ARG 25 12.349 3.000 -4.185
168 HH11 ARG 25 HH11 ARG 25 13.024 -0.425 -4.752
169 HH12 ARG 25 HH12 ARG 25 14.112 -0.150 -6.037
170 HH21 ARG 25 HH21 ARG 25 13.845 3.377 -5.911
171 HH22 ARG 25 HH22 ARG 25 14.583 2.055 -6.731
172 H GLY 26 H GLY 26 6.489 0.448 -2.399
173 HA2 GLY 26 HA2 GLY 26 6.222 -1.876 -1.114
174 HA3 GLY 26 HA1 GLY 26 5.423 -0.732 -0.040
175 H SER 27 H SER 27 3.790 -2.433 -0.817
176 HA SER 27 HA SER 27 2.431 -1.555 -3.261
177 HB2 SER 27 HB2 SER 27 1.915 -4.017 -1.589
178 HB3 SER 27 HB1 SER 27 1.443 -3.715 -3.260
179 HG SER 27 HG SER 27 3.658 -4.816 -2.312
180 H TYR 28 H TYR 28 0.205 -0.942 -3.024
181 HA TYR 28 HA TYR 28 -0.897 -1.082 -0.340
182 HB2 TYR 28 HB2 TYR 28 -1.768 1.176 -0.392
183 HB3 TYR 28 HB1 TYR 28 -0.034 1.251 -0.645
184 HD1 TYR 28 HD1 TYR 28 0.854 1.914 -2.831
185 HD2 TYR 28 HD2 TYR 28 -3.333 1.858 -2.122
186 HE1 TYR 28 HE1 TYR 28 0.512 3.263 -4.825
187 HE2 TYR 28 HE2 TYR 28 -3.697 3.211 -4.128
188 HH TYR 28 HH TYR 28 -1.192 3.755 -6.419
189 H SER 29 H SER 29 -3.077 -1.284 -0.272
190 HA SER 29 HA SER 29 -4.567 -1.195 -2.747
191 HB2 SER 29 HB2 SER 29 -5.626 -3.386 -2.165
192 HB3 SER 29 HB1 SER 29 -3.919 -3.543 -2.595
193 HG SER 29 HG SER 29 -5.169 -4.234 -0.331
194 H PHE 30 H PHE 30 -6.935 -1.258 -2.198
195 HA PHE 30 HA PHE 30 -7.330 0.092 0.357
196 HB2 PHE 30 HB2 PHE 30 -9.116 -0.010 -2.086
197 HB3 PHE 30 HB1 PHE 30 -9.411 0.948 -0.638
198 HD1 PHE 30 HD1 PHE 30 -7.899 0.890 -3.854
199 HD2 PHE 30 HD2 PHE 30 -7.629 2.692 -0.010
200 HE1 PHE 30 HE1 PHE 30 -6.571 2.724 -4.813
201 HE2 PHE 30 HE2 PHE 30 -6.308 4.530 -0.962
202 HZ PHE 30 HZ PHE 30 -5.774 4.553 -3.361
203 H GLU 31 H GLU 31 -7.235 -2.851 -0.564
204 HA GLU 31 HA GLU 31 -9.460 -3.702 1.112
205 HB2 GLU 31 HB2 GLU 31 -10.057 -3.995 -1.294
206 HB3 GLU 31 HB1 GLU 31 -8.642 -5.016 -1.490
207 HG2 GLU 31 HG2 GLU 31 -9.569 -6.640 0.040
208 HG3 GLU 31 HG1 GLU 31 -10.963 -5.602 0.332
209 H LEU 32 H LEU 32 -8.936 -5.380 2.431
210 HA LEU 32 HA LEU 32 -6.162 -5.865 2.882
211 HB2 LEU 32 HB2 LEU 32 -8.644 -6.855 4.236
212 HB3 LEU 32 HB1 LEU 32 -7.042 -7.386 4.699
213 HG LEU 32 HG LEU 32 -7.930 -4.503 4.742
214 HD11 LEU 32 HD11 LEU 32 -7.703 -6.509 6.978
215 HD12 LEU 32 HD12 LEU 32 -9.212 -5.866 6.326
216 HD13 LEU 32 HD13 LEU 32 -8.081 -4.796 7.154
217 HD21 LEU 32 HD21 LEU 32 -5.533 -5.929 5.891
218 HD22 LEU 32 HD22 LEU 32 -5.927 -4.224 6.109
219 HD23 LEU 32 HD23 LEU 32 -5.519 -4.829 4.512
220 H GLN 33 H GLN 33 -5.000 -7.559 2.640
221 HA GLN 33 HA GLN 33 -4.112 -9.316 1.595
222 HB2 GLN 33 HB2 GLN 33 -6.498 -10.610 2.900
223 HB3 GLN 33 HB1 GLN 33 -5.212 -11.520 2.140
224 HG2 GLN 33 HG2 GLN 33 -4.921 -11.476 4.536
225 HG3 GLN 33 HG1 GLN 33 -3.611 -10.611 3.749
226 HE21 GLN 33 1HE2 GLN 33 -6.516 -10.283 5.636
227 HE22 GLN 33 2HE2 GLN 33 -6.181 -8.703 6.243
228 HA PRO 34 HA PRO 34 -6.647 -9.830 -2.164
229 HB2 PRO 34 HB2 PRO 34 -5.796 -7.848 -3.717
230 HB3 PRO 34 HB1 PRO 34 -6.954 -7.524 -2.427
231 HG2 PRO 34 HG2 PRO 34 -4.054 -6.898 -2.555
232 HG3 PRO 34 HG1 PRO 34 -5.358 -6.029 -1.730
233 HD2 PRO 34 HD2 PRO 34 -3.536 -7.914 -0.590
234 HD3 PRO 34 HD1 PRO 34 -4.917 -7.134 0.201
235 HA PRO 35 HA PRO 35 -3.256 -11.887 -4.273
236 HB2 PRO 35 HB2 PRO 35 -4.027 -11.756 -6.905
237 HB3 PRO 35 HB1 PRO 35 -4.726 -12.887 -5.743
238 HG2 PRO 35 HG2 PRO 35 -5.781 -10.271 -6.713
239 HG3 PRO 35 HG1 PRO 35 -6.652 -11.784 -6.415
240 HD2 PRO 35 HD2 PRO 35 -6.691 -9.714 -4.675
241 HD3 PRO 35 HD1 PRO 35 -6.780 -11.403 -4.143
242 HA PRO 36 HA PRO 36 0.063 -9.185 -5.329
243 HB2 PRO 36 HB2 PRO 36 0.604 -10.284 -7.924
244 HB3 PRO 36 HB1 PRO 36 1.459 -10.553 -6.405
245 HG2 PRO 36 HG2 PRO 36 -0.652 -12.181 -7.690
246 HG3 PRO 36 HG1 PRO 36 0.638 -12.682 -6.586
247 HD2 PRO 36 HD2 PRO 36 -1.891 -12.579 -5.780
248 HD3 PRO 36 HD1 PRO 36 -0.579 -12.054 -4.699
249 H TRP 37 H TRP 37 -1.912 -9.717 -8.237
250 HA TRP 37 HA TRP 37 -1.138 -7.295 -9.508
251 HB2 TRP 37 HB2 TRP 37 -3.020 -7.820 -11.090
252 HB3 TRP 37 HB1 TRP 37 -1.823 -9.093 -10.902
253 HD1 TRP 37 HD TRP 37 -5.488 -8.273 -9.959
254 HE1 TRP 37 HE1 TRP 37 -6.686 -10.475 -9.421
255 HE3 TRP 37 3HE TRP 37 -1.486 -11.458 -10.137
256 HZ2 TRP 37 HZ2 TRP 37 -6.036 -13.192 -9.109
257 HZ3 TRP 37 HZ3 TRP 37 -1.870 -13.841 -9.704
258 HH2 TRP 37 HH TRP 37 -4.097 -14.689 -9.201
259 H GLU 38 H GLU 38 -3.298 -7.816 -7.000
260 HA GLU 38 HA GLU 38 -5.081 -5.670 -7.751
261 HB2 GLU 38 HB2 GLU 38 -5.057 -7.690 -5.566
262 HB3 GLU 38 HB1 GLU 38 -6.178 -6.327 -5.543
263 HG2 GLU 38 HG2 GLU 38 -5.938 -8.288 -7.800
264 HG3 GLU 38 HG1 GLU 38 -7.114 -8.447 -6.501
265 H CYS 39 H CYS 39 -2.158 -5.890 -6.186
266 HA CYS 39 HA CYS 39 -2.775 -3.540 -4.580
267 HB2 CYS 39 HB2 CYS 39 -0.264 -5.214 -4.668
268 HB3 CYS 39 HB1 CYS 39 -0.479 -3.744 -3.719
269 H TYR 40 H TYR 40 -1.981 -1.615 -4.985
270 HA TYR 40 HA TYR 40 -0.702 -1.197 -7.576
271 HB2 TYR 40 HB2 TYR 40 -1.769 0.854 -5.605
272 HB3 TYR 40 HB1 TYR 40 -1.391 1.107 -7.302
273 HD1 TYR 40 HD1 TYR 40 -2.916 0.203 -9.043
274 HD2 TYR 40 HD2 TYR 40 -3.885 -0.018 -4.912
275 HE1 TYR 40 HE1 TYR 40 -5.246 -0.264 -9.623
276 HE2 TYR 40 HE2 TYR 40 -6.220 -0.494 -5.475
277 HH TYR 40 HH TYR 40 -7.177 -1.458 -8.488
278 H GLN 41 H GLN 41 1.450 -0.537 -7.535
279 HA GLN 41 HA GLN 41 2.562 -0.364 -4.855
280 HB2 GLN 41 HB2 GLN 41 3.953 -0.899 -7.476
281 HB3 GLN 41 HB1 GLN 41 4.745 -0.828 -5.906
282 HG2 GLN 41 HG2 GLN 41 3.370 -2.709 -5.136
283 HG3 GLN 41 HG1 GLN 41 2.616 -2.792 -6.724
284 HE21 GLN 41 1HE2 GLN 41 3.297 -4.843 -7.082
285 HE22 GLN 41 2HE2 GLN 41 4.920 -5.262 -7.440
286 H CYS 42 H CYS 42 3.919 1.225 -4.240
287 HA CYS 42 HA CYS 42 3.305 3.763 -5.434
288 HB2 CYS 42 HB2 CYS 42 4.987 3.026 -3.033
289 HB3 CYS 42 HB1 CYS 42 4.588 4.670 -3.517
Start of MODEL 7
1 H PCA 1 H PGL 1 -9.730 6.206 1.979
2 HA PCA 1 HA PGL 1 -7.851 7.703 1.110
3 HB2 PCA 1 HB1 PGL 1 -7.514 9.585 2.359
4 HB3 PCA 1 HB2 PGL 1 -7.113 8.590 3.786
5 HG2 PCA 1 HG1 PGL 1 -9.668 9.896 3.083
6 HG3 PCA 1 HG2 PGL 1 -9.121 9.217 4.654
7 H GLU 2 H GLU 2 -8.335 5.607 3.777
8 HA GLU 2 HA GLU 2 -5.667 5.036 4.479
9 HB2 GLU 2 HB2 GLU 2 -8.121 3.293 4.755
10 HB3 GLU 2 HB1 GLU 2 -6.585 3.033 5.559
11 HG2 GLU 2 HG2 GLU 2 -8.413 5.387 5.963
12 HG3 GLU 2 HG1 GLU 2 -8.225 4.017 7.055
13 H ALA 3 H ALA 3 -4.213 4.175 3.202
14 HA ALA 3 HA ALA 3 -5.022 2.166 1.256
15 HB1 ALA 3 HB1 ALA 3 -2.821 2.613 0.232
16 HB2 ALA 3 HB2 ALA 3 -2.497 3.814 1.483
17 HB3 ALA 3 HB3 ALA 3 -3.803 4.073 0.328
18 H PHE 4 H PHE 4 -4.313 0.131 1.543
19 HA PHE 4 HA PHE 4 -2.990 -0.458 4.058
20 HB2 PHE 4 HB2 PHE 4 -4.122 -2.304 1.934
21 HB3 PHE 4 HB1 PHE 4 -3.555 -2.806 3.522
22 HD1 PHE 4 HD1 PHE 4 -4.852 -2.180 5.543
23 HD2 PHE 4 HD2 PHE 4 -6.256 -1.307 1.634
24 HE1 PHE 4 HE1 PHE 4 -7.109 -1.783 6.440
25 HE2 PHE 4 HE2 PHE 4 -8.512 -0.912 2.530
26 HZ PHE 4 HZ PHE 4 -8.932 -1.147 4.937
27 H CYS 5 H CYS 5 -0.865 -0.883 4.180
28 HA CYS 5 HA CYS 5 0.572 -0.828 1.639
29 HB2 CYS 5 HB2 CYS 5 1.568 -0.201 4.416
30 HB3 CYS 5 HB1 CYS 5 2.480 -0.025 2.924
31 H TYR 6 H TYR 6 1.727 -2.452 0.994
32 HA TYR 6 HA TYR 6 2.546 -4.580 2.870
33 HB2 TYR 6 HB2 TYR 6 1.640 -5.102 0.009
34 HB3 TYR 6 HB1 TYR 6 2.095 -6.262 1.213
35 HD1 TYR 6 HD1 TYR 6 -0.533 -3.792 0.371
36 HD2 TYR 6 HD2 TYR 6 0.508 -7.177 2.723
37 HE1 TYR 6 HE1 TYR 6 -2.833 -4.014 1.049
38 HE2 TYR 6 HE2 TYR 6 -1.812 -7.408 3.426
39 HH TYR 6 HH TYR 6 -4.380 -5.490 1.982
40 H SER 7 H SER 7 4.602 -4.903 2.812
41 HA SER 7 HA SER 7 6.290 -3.459 1.022
42 HB2 SER 7 HB2 SER 7 6.804 -5.660 2.979
43 HB3 SER 7 HB1 SER 7 8.089 -4.694 2.222
44 HG SER 7 HG SER 7 7.252 -2.902 3.224
45 H ASP 8 H ASP 8 4.814 -6.492 1.016
46 HA ASP 8 HA ASP 8 6.639 -7.688 -0.886
47 HB2 ASP 8 HB2 ASP 8 5.867 -9.068 0.937
48 HB3 ASP 8 HB1 ASP 8 4.193 -8.739 0.520
49 H ARG 9 H ARG 9 6.062 -8.256 -2.956
50 HA ARG 9 HA ARG 9 4.179 -6.467 -4.163
51 HB2 ARG 9 HB2 ARG 9 6.131 -8.415 -5.364
52 HB3 ARG 9 HB1 ARG 9 4.993 -7.493 -6.327
53 HG2 ARG 9 HG2 ARG 9 7.127 -6.416 -6.412
54 HG3 ARG 9 HG1 ARG 9 6.030 -5.406 -5.479
55 HD2 ARG 9 HD2 ARG 9 7.034 -6.221 -3.411
56 HD3 ARG 9 HD1 ARG 9 8.095 -7.284 -4.333
57 HE ARG 9 HE ARG 9 8.441 -4.712 -5.281
58 HH11 ARG 9 HH11 ARG 9 9.076 -6.503 -2.293
59 HH12 ARG 9 HH12 ARG 9 10.409 -5.542 -1.850
60 HH21 ARG 9 HH21 ARG 9 10.280 -3.411 -4.664
61 HH22 ARG 9 HH22 ARG 9 11.104 -3.787 -3.211
62 H PHE 10 H PHE 10 3.851 -9.559 -2.921
63 HA PHE 10 HA PHE 10 1.696 -10.167 -4.792
64 HB2 PHE 10 HB2 PHE 10 3.119 -11.971 -2.820
65 HB3 PHE 10 HB1 PHE 10 1.851 -12.469 -3.928
66 HD1 PHE 10 HD1 PHE 10 2.313 -12.382 -6.401
67 HD2 PHE 10 HD2 PHE 10 5.341 -11.885 -3.468
68 HE1 PHE 10 HE1 PHE 10 4.010 -12.886 -8.084
69 HE2 PHE 10 HE2 PHE 10 7.053 -12.389 -5.147
70 HZ PHE 10 HZ PHE 10 6.394 -12.887 -7.465
71 H CYS 11 H CYS 11 2.042 -8.340 -2.348
72 HA CYS 11 HA CYS 11 0.653 -7.450 -0.773
73 HB2 CYS 11 HB2 CYS 11 -1.357 -9.615 -1.435
74 HB3 CYS 11 HB1 CYS 11 -1.647 -8.043 -0.702
75 H GLN 12 H GLN 12 2.410 -9.981 -0.374
76 HA GLN 12 HA GLN 12 0.999 -11.429 1.689
77 HB2 GLN 12 HB2 GLN 12 3.758 -11.712 0.550
78 HB3 GLN 12 HB1 GLN 12 3.078 -12.785 1.761
79 HG2 GLN 12 HG2 GLN 12 1.466 -13.635 0.264
80 HG3 GLN 12 HG1 GLN 12 1.741 -12.334 -0.891
81 HE21 GLN 12 1HE2 GLN 12 4.580 -12.421 -0.817
82 HE22 GLN 12 2HE2 GLN 12 5.093 -13.871 -1.574
83 H ASN 13 H ASN 13 2.750 -8.575 1.827
84 HA ASN 13 HA ASN 13 3.555 -9.229 4.594
85 HB2 ASN 13 HB2 ASN 13 5.192 -7.643 2.612
86 HB3 ASN 13 HB1 ASN 13 5.447 -7.514 4.340
87 HD21 ASN 13 HD21 ASN 13 7.524 -8.290 4.182
88 HD22 ASN 13 HD22 ASN 13 7.889 -9.935 3.839
89 H TYR 14 H TYR 14 1.710 -8.349 5.407
90 HA TYR 14 HA TYR 14 0.922 -5.685 4.755
91 HB2 TYR 14 HB2 TYR 14 -0.687 -7.432 5.457
92 HB3 TYR 14 HB1 TYR 14 0.075 -7.479 7.040
93 HD1 TYR 14 HD1 TYR 14 -0.633 -6.019 8.742
94 HD2 TYR 14 HD2 TYR 14 -1.774 -5.261 4.721
95 HE1 TYR 14 HE1 TYR 14 -2.153 -4.266 9.505
96 HE2 TYR 14 HE2 TYR 14 -3.282 -3.513 5.463
97 HH TYR 14 HH TYR 14 -4.573 -3.053 7.722
98 H ILE 15 H ILE 15 1.870 -3.888 5.567
99 HA ILE 15 HA ILE 15 3.271 -4.166 8.140
100 HB ILE 15 HB ILE 15 4.643 -2.198 7.506
101 HG12 ILE 15 HG12 ILE 15 3.386 -2.553 4.769
102 HG13 ILE 15 HG11 ILE 15 3.096 -1.203 5.857
103 HG21 ILE 15 HG21 ILE 15 5.531 -4.420 7.235
104 HG22 ILE 15 HG22 ILE 15 6.090 -3.388 5.919
105 HG23 ILE 15 HG23 ILE 15 4.795 -4.550 5.639
106 HD11 ILE 15 HD11 ILE 15 4.640 -0.595 4.084
107 HD12 ILE 15 HD12 ILE 15 5.724 -1.901 4.561
108 HD13 ILE 15 HD13 ILE 15 5.445 -0.545 5.654
109 H GLY 16 H GLY 16 0.482 -3.149 7.034
110 HA2 GLY 16 HA2 GLY 16 -0.847 -2.104 8.844
111 HA3 GLY 16 HA1 GLY 16 0.385 -0.848 8.869
112 H SER 17 H SER 17 -1.637 0.459 8.494
113 HA SER 17 HA SER 17 -1.926 0.846 5.647
114 HB2 SER 17 HB2 SER 17 -4.388 1.259 6.076
115 HB3 SER 17 HB1 SER 17 -3.873 -0.424 6.182
116 HG SER 17 HG SER 17 -5.006 -0.190 7.963
117 H ILE 18 H ILE 18 -2.039 2.943 5.103
118 HA ILE 18 HA ILE 18 -2.418 4.994 7.091
119 HB ILE 18 HB ILE 18 -0.337 6.192 6.234
120 HG12 ILE 18 HG12 ILE 18 0.366 3.400 5.315
121 HG13 ILE 18 HG11 ILE 18 0.204 4.839 4.319
122 HG21 ILE 18 HG21 ILE 18 0.060 3.778 7.976
123 HG22 ILE 18 HG22 ILE 18 -0.411 5.398 8.492
124 HG23 ILE 18 HG23 ILE 18 1.198 5.116 7.826
125 HD11 ILE 18 HD11 ILE 18 2.182 5.794 5.382
126 HD12 ILE 18 HD12 ILE 18 2.533 4.221 4.657
127 HD13 ILE 18 HD13 ILE 18 2.320 4.361 6.402
128 HA PRO 19 HA PRO 19 -4.352 6.854 3.610
129 HB2 PRO 19 HB2 PRO 19 -3.854 9.526 4.074
130 HB3 PRO 19 HB1 PRO 19 -5.113 8.599 4.895
131 HG2 PRO 19 HG2 PRO 19 -2.381 9.336 5.835
132 HG3 PRO 19 HG1 PRO 19 -3.902 9.299 6.741
133 HD2 PRO 19 HD2 PRO 19 -2.059 7.334 6.950
134 HD3 PRO 19 HD1 PRO 19 -3.792 7.000 7.063
135 H ASP 20 H ASP 20 -1.124 8.090 4.359
136 HA ASP 20 HA ASP 20 -0.679 8.481 1.479
137 HB2 ASP 20 HB2 ASP 20 0.889 9.641 3.813
138 HB3 ASP 20 HB1 ASP 20 1.206 9.950 2.112
139 H CYS 21 H CYS 21 -0.039 6.514 0.805
140 HA CYS 21 HA CYS 21 1.789 4.988 2.501
141 HB2 CYS 21 HB2 CYS 21 -0.328 3.930 1.736
142 HB3 CYS 21 HB1 CYS 21 0.250 4.033 0.079
143 H CYS 22 H CYS 22 1.889 6.777 -0.480
144 HA CYS 22 HA CYS 22 4.082 5.171 -1.438
145 HB2 CYS 22 HB2 CYS 22 2.762 7.575 -2.657
146 HB3 CYS 22 HB1 CYS 22 4.078 6.685 -3.412
147 H PHE 23 H PHE 23 4.115 7.302 0.892
148 HA PHE 23 HA PHE 23 6.498 8.725 0.031
149 HB2 PHE 23 HB2 PHE 23 4.921 8.847 2.609
150 HB3 PHE 23 HB1 PHE 23 6.413 9.744 2.344
151 HD1 PHE 23 HD1 PHE 23 2.911 9.403 1.351
152 HD2 PHE 23 HD2 PHE 23 6.469 11.675 0.931
153 HE1 PHE 23 HE1 PHE 23 1.623 11.219 0.289
154 HE2 PHE 23 HE2 PHE 23 5.194 13.491 -0.128
155 HZ PHE 23 HZ PHE 23 2.769 13.263 -0.449
156 H GLY 24 H GLY 24 5.819 5.797 1.092
157 HA2 GLY 24 HA2 GLY 24 8.536 5.390 2.051
158 HA3 GLY 24 HA1 GLY 24 7.164 4.596 2.841
159 H ARG 25 H ARG 25 9.035 2.999 1.769
160 HA ARG 25 HA ARG 25 8.378 2.296 -0.933
161 HB2 ARG 25 HB2 ARG 25 9.940 0.738 1.122
162 HB3 ARG 25 HB1 ARG 25 9.846 0.357 -0.586
163 HG2 ARG 25 HG2 ARG 25 10.927 2.536 -1.073
164 HG3 ARG 25 HG1 ARG 25 11.125 2.774 0.667
165 HD2 ARG 25 HD2 ARG 25 13.173 1.852 -0.199
166 HD3 ARG 25 HD1 ARG 25 12.353 0.617 0.752
167 HE ARG 25 HE ARG 25 11.826 0.616 -2.084
168 HH11 ARG 25 HH11 ARG 25 13.606 -0.903 0.595
169 HH12 ARG 25 HH12 ARG 25 14.165 -2.204 -0.368
170 HH21 ARG 25 HH21 ARG 25 12.600 -1.178 -3.359
171 HH22 ARG 25 HH22 ARG 25 13.579 -2.369 -2.613
172 H GLY 26 H GLY 26 6.872 0.814 -1.613
173 HA2 GLY 26 HA2 GLY 26 6.193 -1.531 -0.493
174 HA3 GLY 26 HA1 GLY 26 5.213 -0.389 0.405
175 H SER 27 H SER 27 3.874 -2.182 -0.776
176 HA SER 27 HA SER 27 2.763 -1.123 -3.264
177 HB2 SER 27 HB2 SER 27 2.059 -3.693 -1.838
178 HB3 SER 27 HB1 SER 27 1.816 -3.282 -3.532
179 HG SER 27 HG SER 27 3.526 -4.771 -2.908
180 H TYR 28 H TYR 28 0.434 -0.781 -3.187
181 HA TYR 28 HA TYR 28 -0.702 -0.828 -0.500
182 HB2 TYR 28 HB2 TYR 28 -1.795 1.308 -0.829
183 HB3 TYR 28 HB1 TYR 28 -0.059 1.516 -1.007
184 HD1 TYR 28 HD1 TYR 28 -3.317 1.709 -2.661
185 HD2 TYR 28 HD2 TYR 28 0.893 1.973 -3.254
186 HE1 TYR 28 HE1 TYR 28 -3.693 2.762 -4.822
187 HE2 TYR 28 HE2 TYR 28 0.523 3.033 -5.421
188 HH TYR 28 HH TYR 28 -2.560 4.160 -6.394
189 H SER 29 H SER 29 -2.874 -1.201 -0.407
190 HA SER 29 HA SER 29 -4.299 -1.602 -2.909
191 HB2 SER 29 HB2 SER 29 -5.227 -3.721 -2.023
192 HB3 SER 29 HB1 SER 29 -3.475 -3.812 -2.215
193 HG SER 29 HG SER 29 -4.951 -4.124 0.023
194 H PHE 30 H PHE 30 -6.681 -1.836 -2.372
195 HA PHE 30 HA PHE 30 -7.313 -0.003 -0.189
196 HB2 PHE 30 HB2 PHE 30 -8.966 -0.795 -2.595
197 HB3 PHE 30 HB1 PHE 30 -9.412 0.408 -1.388
198 HD1 PHE 30 HD1 PHE 30 -7.793 2.387 -1.085
199 HD2 PHE 30 HD2 PHE 30 -7.810 -0.146 -4.499
200 HE1 PHE 30 HE1 PHE 30 -6.625 4.125 -2.377
201 HE2 PHE 30 HE2 PHE 30 -6.643 1.589 -5.793
202 HZ PHE 30 HZ PHE 30 -6.054 3.724 -4.728
203 H GLU 31 H GLU 31 -6.976 -3.113 -0.495
204 HA GLU 31 HA GLU 31 -9.179 -3.729 1.319
205 HB2 GLU 31 HB2 GLU 31 -8.396 -5.418 -1.051
206 HB3 GLU 31 HB1 GLU 31 -9.483 -5.927 0.229
207 HG2 GLU 31 HG2 GLU 31 -11.027 -4.131 -0.383
208 HG3 GLU 31 HG1 GLU 31 -9.931 -3.648 -1.677
209 H LEU 32 H LEU 32 -8.779 -5.515 2.688
210 HA LEU 32 HA LEU 32 -6.020 -5.929 3.372
211 HB2 LEU 32 HB2 LEU 32 -8.595 -6.958 4.512
212 HB3 LEU 32 HB1 LEU 32 -7.036 -7.495 5.093
213 HG LEU 32 HG LEU 32 -7.978 -4.626 5.164
214 HD11 LEU 32 HD11 LEU 32 -9.312 -6.077 6.612
215 HD12 LEU 32 HD12 LEU 32 -8.240 -5.026 7.549
216 HD13 LEU 32 HD13 LEU 32 -7.824 -6.726 7.309
217 HD21 LEU 32 HD21 LEU 32 -5.549 -4.876 5.086
218 HD22 LEU 32 HD22 LEU 32 -5.622 -6.033 6.414
219 HD23 LEU 32 HD23 LEU 32 -6.081 -4.353 6.681
220 H GLN 33 H GLN 33 -4.797 -7.411 2.669
221 HA GLN 33 HA GLN 33 -3.956 -9.133 1.555
222 HB2 GLN 33 HB2 GLN 33 -6.140 -10.651 2.972
223 HB3 GLN 33 HB1 GLN 33 -4.710 -11.370 2.248
224 HG2 GLN 33 HG2 GLN 33 -3.315 -10.037 3.824
225 HG3 GLN 33 HG1 GLN 33 -4.796 -9.466 4.576
226 HE21 GLN 33 1HE2 GLN 33 -6.135 -12.078 4.245
227 HE22 GLN 33 2HE2 GLN 33 -5.423 -13.082 5.456
228 HA PRO 34 HA PRO 34 -6.876 -9.566 -1.919
229 HB2 PRO 34 HB2 PRO 34 -5.666 -7.595 -3.497
230 HB3 PRO 34 HB1 PRO 34 -7.119 -7.368 -2.524
231 HG2 PRO 34 HG2 PRO 34 -4.595 -6.148 -2.125
232 HG3 PRO 34 HG1 PRO 34 -5.989 -6.087 -1.040
233 HD2 PRO 34 HD2 PRO 34 -3.580 -7.832 -0.936
234 HD3 PRO 34 HD1 PRO 34 -4.565 -7.182 0.392
235 HA PRO 35 HA PRO 35 -3.880 -11.797 -4.426
236 HB2 PRO 35 HB2 PRO 35 -4.734 -11.341 -6.989
237 HB3 PRO 35 HB1 PRO 35 -5.504 -12.489 -5.892
238 HG2 PRO 35 HG2 PRO 35 -6.314 -9.713 -6.601
239 HG3 PRO 35 HG1 PRO 35 -7.320 -11.148 -6.352
240 HD2 PRO 35 HD2 PRO 35 -7.038 -9.209 -4.487
241 HD3 PRO 35 HD1 PRO 35 -7.313 -10.911 -4.070
242 HA PRO 36 HA PRO 36 -0.340 -9.305 -5.300
243 HB2 PRO 36 HB2 PRO 36 -0.295 -10.715 -7.916
244 HB3 PRO 36 HB1 PRO 36 1.015 -10.461 -6.763
245 HG2 PRO 36 HG2 PRO 36 -0.326 -12.796 -6.977
246 HG3 PRO 36 HG1 PRO 36 0.369 -12.229 -5.453
247 HD2 PRO 36 HD2 PRO 36 -2.429 -12.504 -6.231
248 HD3 PRO 36 HD1 PRO 36 -1.729 -12.255 -4.622
249 H TRP 37 H TRP 37 -2.451 -9.664 -8.118
250 HA TRP 37 HA TRP 37 -1.371 -7.326 -9.377
251 HB2 TRP 37 HB2 TRP 37 -3.034 -7.817 -11.177
252 HB3 TRP 37 HB1 TRP 37 -1.931 -9.138 -10.814
253 HD1 TRP 37 HD TRP 37 -5.610 -8.203 -10.729
254 HE1 TRP 37 HE1 TRP 37 -6.996 -10.297 -10.185
255 HE3 TRP 37 3HE TRP 37 -1.813 -11.415 -9.496
256 HZ2 TRP 37 HZ2 TRP 37 -6.541 -12.952 -9.352
257 HZ3 TRP 37 HZ3 TRP 37 -2.384 -13.707 -8.844
258 HH2 TRP 37 HH TRP 37 -4.700 -14.456 -8.773
259 H GLU 38 H GLU 38 -3.707 -7.697 -7.021
260 HA GLU 38 HA GLU 38 -5.083 -5.321 -7.934
261 HB2 GLU 38 HB2 GLU 38 -5.798 -7.328 -5.807
262 HB3 GLU 38 HB1 GLU 38 -6.639 -5.793 -5.994
263 HG2 GLU 38 HG2 GLU 38 -7.206 -6.415 -8.317
264 HG3 GLU 38 HG1 GLU 38 -6.438 -7.978 -8.064
265 H CYS 39 H CYS 39 -2.470 -6.081 -6.164
266 HA CYS 39 HA CYS 39 -2.681 -3.671 -4.532
267 HB2 CYS 39 HB2 CYS 39 -0.573 -5.831 -4.665
268 HB3 CYS 39 HB1 CYS 39 -0.423 -4.384 -3.667
269 H TYR 40 H TYR 40 -1.361 -1.930 -4.942
270 HA TYR 40 HA TYR 40 -0.126 -1.917 -7.624
271 HB2 TYR 40 HB2 TYR 40 -1.113 0.484 -6.089
272 HB3 TYR 40 HB1 TYR 40 -0.802 0.348 -7.811
273 HD1 TYR 40 HD1 TYR 40 -3.202 -0.135 -5.145
274 HD2 TYR 40 HD2 TYR 40 -2.449 -0.852 -9.267
275 HE1 TYR 40 HE1 TYR 40 -5.577 -0.600 -5.483
276 HE2 TYR 40 HE2 TYR 40 -4.828 -1.319 -9.617
277 HH TYR 40 HH TYR 40 -6.781 -2.064 -8.245
278 H GLN 41 H GLN 41 2.032 -1.302 -7.670
279 HA GLN 41 HA GLN 41 3.246 -0.779 -5.092
280 HB2 GLN 41 HB2 GLN 41 4.515 -1.254 -7.799
281 HB3 GLN 41 HB1 GLN 41 5.428 -0.852 -6.360
282 HG2 GLN 41 HG2 GLN 41 5.626 -3.183 -6.647
283 HG3 GLN 41 HG1 GLN 41 4.494 -2.957 -5.322
284 HE21 GLN 41 1HE2 GLN 41 4.896 -3.950 -8.600
285 HE22 GLN 41 2HE2 GLN 41 3.380 -4.726 -8.795
286 H CYS 42 H CYS 42 4.177 1.105 -4.485
287 HA CYS 42 HA CYS 42 3.540 3.428 -6.034
288 HB2 CYS 42 HB2 CYS 42 5.156 3.101 -3.486
289 HB3 CYS 42 HB1 CYS 42 4.718 4.647 -4.197
Start of MODEL 8
1 H PCA 1 H PGL 1 -9.066 6.024 2.960
2 HA PCA 1 HA PGL 1 -7.917 8.065 1.924
3 HB2 PCA 1 HB1 PGL 1 -7.913 9.907 3.270
4 HB3 PCA 1 HB2 PGL 1 -6.980 9.014 4.503
5 HG2 PCA 1 HG1 PGL 1 -9.841 9.621 4.477
6 HG3 PCA 1 HG2 PGL 1 -8.861 8.846 5.768
7 H GLU 2 H GLU 2 -7.267 5.940 4.587
8 HA GLU 2 HA GLU 2 -4.437 5.900 3.907
9 HB2 GLU 2 HB2 GLU 2 -5.888 4.531 6.191
10 HB3 GLU 2 HB1 GLU 2 -4.148 4.635 5.969
11 HG2 GLU 2 HG2 GLU 2 -4.305 7.094 6.162
12 HG3 GLU 2 HG1 GLU 2 -6.021 6.924 6.512
13 H ALA 3 H ALA 3 -3.523 4.138 2.975
14 HA ALA 3 HA ALA 3 -5.427 2.122 2.035
15 HB1 ALA 3 HB1 ALA 3 -2.765 2.935 0.876
16 HB2 ALA 3 HB2 ALA 3 -4.345 3.451 0.286
17 HB3 ALA 3 HB3 ALA 3 -3.884 1.752 0.196
18 H PHE 4 H PHE 4 -4.699 -0.068 1.933
19 HA PHE 4 HA PHE 4 -3.227 -0.822 4.283
20 HB2 PHE 4 HB2 PHE 4 -4.365 -2.522 2.046
21 HB3 PHE 4 HB1 PHE 4 -3.773 -3.128 3.582
22 HD1 PHE 4 HD1 PHE 4 -5.030 -2.454 5.703
23 HD2 PHE 4 HD2 PHE 4 -6.556 -1.808 1.790
24 HE1 PHE 4 HE1 PHE 4 -7.271 -2.238 6.625
25 HE2 PHE 4 HE2 PHE 4 -8.829 -1.586 2.718
26 HZ PHE 4 HZ PHE 4 -9.187 -1.803 5.135
27 H CYS 5 H CYS 5 -1.091 -1.058 4.310
28 HA CYS 5 HA CYS 5 0.283 -1.078 1.755
29 HB2 CYS 5 HB2 CYS 5 1.270 -0.379 4.500
30 HB3 CYS 5 HB1 CYS 5 2.227 -0.320 3.023
31 H TYR 6 H TYR 6 1.315 -2.681 1.081
32 HA TYR 6 HA TYR 6 2.314 -4.752 2.908
33 HB2 TYR 6 HB2 TYR 6 1.555 -5.141 0.008
34 HB3 TYR 6 HB1 TYR 6 1.943 -6.372 1.192
35 HD1 TYR 6 HD1 TYR 6 -0.672 -4.092 0.027
36 HD2 TYR 6 HD2 TYR 6 0.318 -7.109 2.846
37 HE1 TYR 6 HE1 TYR 6 -3.015 -4.304 0.601
38 HE2 TYR 6 HE2 TYR 6 -2.046 -7.335 3.435
39 HH TYR 6 HH TYR 6 -4.536 -5.725 1.601
40 H SER 7 H SER 7 4.346 -4.623 3.001
41 HA SER 7 HA SER 7 5.973 -2.838 1.678
42 HB2 SER 7 HB2 SER 7 6.669 -5.442 2.952
43 HB3 SER 7 HB1 SER 7 7.757 -4.044 2.785
44 HG SER 7 HG SER 7 6.951 -3.462 4.606
45 H ASP 8 H ASP 8 5.137 -6.091 0.843
46 HA ASP 8 HA ASP 8 7.059 -6.084 -1.350
47 HB2 ASP 8 HB2 ASP 8 7.597 -7.817 0.159
48 HB3 ASP 8 HB1 ASP 8 5.928 -8.307 0.336
49 H ARG 9 H ARG 9 6.371 -6.965 -3.362
50 HA ARG 9 HA ARG 9 3.871 -5.982 -4.202
51 HB2 ARG 9 HB2 ARG 9 6.071 -7.425 -5.558
52 HB3 ARG 9 HB1 ARG 9 4.514 -7.397 -6.356
53 HG2 ARG 9 HG2 ARG 9 5.990 -5.613 -7.160
54 HG3 ARG 9 HG1 ARG 9 4.541 -4.966 -6.410
55 HD2 ARG 9 HD2 ARG 9 5.816 -4.479 -4.376
56 HD3 ARG 9 HD1 ARG 9 7.250 -5.180 -5.123
57 HE ARG 9 HE ARG 9 7.258 -3.421 -6.705
58 HH11 ARG 9 HH11 ARG 9 4.983 -2.887 -4.044
59 HH12 ARG 9 HH12 ARG 9 5.087 -1.197 -4.088
60 HH21 ARG 9 HH21 ARG 9 7.373 -1.049 -6.810
61 HH22 ARG 9 HH22 ARG 9 6.506 -0.089 -5.736
62 H PHE 10 H PHE 10 4.600 -9.133 -2.951
63 HA PHE 10 HA PHE 10 2.481 -10.398 -4.368
64 HB2 PHE 10 HB2 PHE 10 4.111 -11.334 -2.019
65 HB3 PHE 10 HB1 PHE 10 2.791 -12.283 -2.692
66 HD1 PHE 10 HD1 PHE 10 2.972 -13.268 -4.904
67 HD2 PHE 10 HD2 PHE 10 6.173 -11.057 -3.199
68 HE1 PHE 10 HE1 PHE 10 4.496 -14.186 -6.594
69 HE2 PHE 10 HE2 PHE 10 7.702 -11.963 -4.867
70 HZ PHE 10 HZ PHE 10 6.878 -13.534 -6.586
71 H CYS 11 H CYS 11 2.335 -8.171 -2.011
72 HA CYS 11 HA CYS 11 0.585 -7.269 -0.860
73 HB2 CYS 11 HB2 CYS 11 -1.029 -9.288 -2.426
74 HB3 CYS 11 HB1 CYS 11 -1.688 -7.937 -1.511
75 H GLN 12 H GLN 12 2.006 -9.709 0.126
76 HA GLN 12 HA GLN 12 -0.048 -10.824 1.912
77 HB2 GLN 12 HB2 GLN 12 2.753 -11.776 1.354
78 HB3 GLN 12 HB1 GLN 12 1.633 -12.528 2.470
79 HG2 GLN 12 HG2 GLN 12 0.135 -13.037 0.626
80 HG3 GLN 12 HG1 GLN 12 1.260 -12.264 -0.495
81 HE21 GLN 12 1HE2 GLN 12 3.215 -13.267 -0.941
82 HE22 GLN 12 2HE2 GLN 12 3.485 -14.930 -0.611
83 H ASN 13 H ASN 13 2.579 -8.627 1.891
84 HA ASN 13 HA ASN 13 3.173 -9.183 4.710
85 HB2 ASN 13 HB2 ASN 13 4.624 -7.366 2.761
86 HB3 ASN 13 HB1 ASN 13 5.064 -7.561 4.448
87 HD21 ASN 13 HD21 ASN 13 7.096 -8.310 3.941
88 HD22 ASN 13 HD22 ASN 13 7.381 -9.870 3.258
89 H TYR 14 H TYR 14 1.232 -8.385 5.547
90 HA TYR 14 HA TYR 14 0.564 -5.650 5.021
91 HB2 TYR 14 HB2 TYR 14 -1.214 -7.333 5.347
92 HB3 TYR 14 HB1 TYR 14 -0.664 -7.570 7.001
93 HD1 TYR 14 HD1 TYR 14 -1.927 -6.529 8.624
94 HD2 TYR 14 HD2 TYR 14 -1.579 -4.684 4.807
95 HE1 TYR 14 HE1 TYR 14 -3.371 -4.709 9.378
96 HE2 TYR 14 HE2 TYR 14 -3.016 -2.862 5.550
97 HH TYR 14 HH TYR 14 -3.933 -2.411 8.829
98 H ILE 15 H ILE 15 1.627 -4.107 5.927
99 HA ILE 15 HA ILE 15 2.712 -4.518 8.596
100 HB ILE 15 HB ILE 15 3.950 -2.363 8.225
101 HG12 ILE 15 HG12 ILE 15 2.878 -2.645 5.397
102 HG13 ILE 15 HG11 ILE 15 2.464 -1.367 6.530
103 HG21 ILE 15 HG21 ILE 15 5.019 -4.508 7.879
104 HG22 ILE 15 HG22 ILE 15 5.601 -3.340 6.693
105 HG23 ILE 15 HG23 ILE 15 4.421 -4.562 6.221
106 HD11 ILE 15 HD11 ILE 15 4.789 -0.604 6.488
107 HD12 ILE 15 HD12 ILE 15 4.049 -0.581 4.886
108 HD13 ILE 15 HD13 ILE 15 5.173 -1.870 5.323
109 H GLY 16 H GLY 16 0.447 -2.517 6.841
110 HA2 GLY 16 HA2 GLY 16 -1.320 -2.096 8.802
111 HA3 GLY 16 HA1 GLY 16 -0.114 -0.834 9.064
112 H SER 17 H SER 17 -2.056 0.500 8.523
113 HA SER 17 HA SER 17 -2.175 0.867 5.636
114 HB2 SER 17 HB2 SER 17 -4.581 1.613 6.077
115 HB3 SER 17 HB1 SER 17 -4.273 -0.119 6.216
116 HG SER 17 HG SER 17 -4.092 1.549 8.479
117 H ILE 18 H ILE 18 -1.733 2.912 5.028
118 HA ILE 18 HA ILE 18 -1.915 5.112 6.917
119 HB ILE 18 HB ILE 18 0.441 5.850 6.325
120 HG12 ILE 18 HG12 ILE 18 0.676 2.989 5.368
121 HG13 ILE 18 HG11 ILE 18 0.835 4.441 4.391
122 HG21 ILE 18 HG21 ILE 18 1.567 4.411 7.984
123 HG22 ILE 18 HG22 ILE 18 0.144 3.367 7.979
124 HG23 ILE 18 HG23 ILE 18 0.009 5.038 8.523
125 HD11 ILE 18 HD11 ILE 18 2.995 3.443 4.859
126 HD12 ILE 18 HD12 ILE 18 2.674 3.560 6.590
127 HD13 ILE 18 HD13 ILE 18 2.864 5.031 5.627
128 HA PRO 19 HA PRO 19 -2.669 7.108 2.993
129 HB2 PRO 19 HB2 PRO 19 -2.727 9.669 3.726
130 HB3 PRO 19 HB1 PRO 19 -3.911 8.516 4.350
131 HG2 PRO 19 HG2 PRO 19 -1.589 9.758 5.714
132 HG3 PRO 19 HG1 PRO 19 -3.110 9.172 6.399
133 HD2 PRO 19 HD2 PRO 19 -0.588 7.819 6.322
134 HD3 PRO 19 HD1 PRO 19 -2.132 7.195 6.933
135 H ASP 20 H ASP 20 0.323 7.048 4.215
136 HA ASP 20 HA ASP 20 1.450 8.718 2.074
137 HB2 ASP 20 HB2 ASP 20 3.288 9.350 3.561
138 HB3 ASP 20 HB1 ASP 20 1.755 9.775 4.302
139 H CYS 21 H CYS 21 0.749 6.074 1.900
140 HA CYS 21 HA CYS 21 2.635 4.135 2.613
141 HB2 CYS 21 HB2 CYS 21 0.208 3.892 1.800
142 HB3 CYS 21 HB1 CYS 21 0.888 3.943 0.177
143 H CYS 22 H CYS 22 2.517 6.300 -0.154
144 HA CYS 22 HA CYS 22 4.545 4.754 -1.519
145 HB2 CYS 22 HB2 CYS 22 2.979 7.149 -2.452
146 HB3 CYS 22 HB1 CYS 22 4.179 6.298 -3.417
147 H PHE 23 H PHE 23 4.832 6.841 0.872
148 HA PHE 23 HA PHE 23 7.055 8.338 -0.256
149 HB2 PHE 23 HB2 PHE 23 5.826 8.291 2.500
150 HB3 PHE 23 HB1 PHE 23 7.326 9.147 2.163
151 HD1 PHE 23 HD1 PHE 23 7.342 11.185 0.913
152 HD2 PHE 23 HD2 PHE 23 3.716 9.050 1.512
153 HE1 PHE 23 HE1 PHE 23 6.070 13.137 0.142
154 HE2 PHE 23 HE2 PHE 23 2.436 11.000 0.746
155 HZ PHE 23 HZ PHE 23 3.614 13.050 0.058
156 H GLY 24 H GLY 24 6.753 5.374 0.282
157 HA2 GLY 24 HA2 GLY 24 9.531 4.885 0.704
158 HA3 GLY 24 HA1 GLY 24 8.449 4.156 1.906
159 H ARG 25 H ARG 25 9.638 2.291 0.471
160 HA ARG 25 HA ARG 25 8.180 1.733 -1.946
161 HB2 ARG 25 HB2 ARG 25 10.509 0.905 -1.572
162 HB3 ARG 25 HB1 ARG 25 9.897 -0.140 -0.300
163 HG2 ARG 25 HG2 ARG 25 8.482 -1.288 -1.954
164 HG3 ARG 25 HG1 ARG 25 9.163 -0.266 -3.218
165 HD2 ARG 25 HD2 ARG 25 10.676 -2.191 -1.469
166 HD3 ARG 25 HD1 ARG 25 10.262 -2.434 -3.164
167 HE ARG 25 HE ARG 25 11.711 -0.047 -2.873
168 HH11 ARG 25 HH11 ARG 25 12.164 -3.552 -2.805
169 HH12 ARG 25 HH12 ARG 25 13.815 -3.499 -3.172
170 HH21 ARG 25 HH21 ARG 25 14.011 0.037 -3.394
171 HH22 ARG 25 HH22 ARG 25 14.888 -1.405 -3.495
172 H GLY 26 H GLY 26 6.346 0.551 -2.145
173 HA2 GLY 26 HA2 GLY 26 5.558 -1.438 -0.364
174 HA3 GLY 26 HA1 GLY 26 4.749 0.065 0.069
175 H SER 27 H SER 27 3.425 -2.176 -0.770
176 HA SER 27 HA SER 27 2.296 -1.325 -3.331
177 HB2 SER 27 HB2 SER 27 1.995 -3.998 -1.925
178 HB3 SER 27 HB1 SER 27 1.638 -3.618 -3.609
179 HG SER 27 HG SER 27 3.804 -4.604 -2.614
180 H TYR 28 H TYR 28 0.117 -0.755 -3.125
181 HA TYR 28 HA TYR 28 -1.017 -1.112 -0.450
182 HB2 TYR 28 HB2 TYR 28 -1.924 1.130 -0.403
183 HB3 TYR 28 HB1 TYR 28 -0.196 1.218 -0.672
184 HD1 TYR 28 HD1 TYR 28 0.677 1.986 -2.912
185 HD2 TYR 28 HD2 TYR 28 -3.500 1.923 -2.031
186 HE1 TYR 28 HE1 TYR 28 0.250 3.448 -4.809
187 HE2 TYR 28 HE2 TYR 28 -3.923 3.387 -3.938
188 HH TYR 28 HH TYR 28 -2.727 5.000 -5.292
189 H SER 29 H SER 29 -3.187 -1.439 -0.305
190 HA SER 29 HA SER 29 -4.720 -1.445 -2.780
191 HB2 SER 29 HB2 SER 29 -5.650 -3.674 -2.235
192 HB3 SER 29 HB1 SER 29 -3.909 -3.751 -2.507
193 HG SER 29 HG SER 29 -5.231 -4.565 -0.382
194 H PHE 30 H PHE 30 -7.124 -1.877 -2.174
195 HA PHE 30 HA PHE 30 -7.628 -0.416 0.306
196 HB2 PHE 30 HB2 PHE 30 -9.279 -0.523 -2.235
197 HB3 PHE 30 HB1 PHE 30 -9.748 0.320 -0.759
198 HD1 PHE 30 HD1 PHE 30 -8.131 0.649 -3.876
199 HD2 PHE 30 HD2 PHE 30 -8.037 2.073 0.128
200 HE1 PHE 30 HE1 PHE 30 -6.881 2.632 -4.615
201 HE2 PHE 30 HE2 PHE 30 -6.792 4.064 -0.602
202 HZ PHE 30 HZ PHE 30 -6.210 4.350 -2.975
203 H GLU 31 H GLU 31 -7.228 -3.284 -0.213
204 HA GLU 31 HA GLU 31 -9.451 -4.229 1.350
205 HB2 GLU 31 HB2 GLU 31 -10.166 -4.551 -1.017
206 HB3 GLU 31 HB1 GLU 31 -8.731 -5.521 -1.299
207 HG2 GLU 31 HG2 GLU 31 -9.513 -7.209 0.210
208 HG3 GLU 31 HG1 GLU 31 -10.886 -6.209 0.683
209 H LEU 32 H LEU 32 -8.828 -5.908 2.679
210 HA LEU 32 HA LEU 32 -6.039 -6.284 3.071
211 HB2 LEU 32 HB2 LEU 32 -8.445 -7.427 4.435
212 HB3 LEU 32 HB1 LEU 32 -6.837 -8.008 4.791
213 HG LEU 32 HG LEU 32 -7.751 -5.152 5.165
214 HD11 LEU 32 HD11 LEU 32 -7.270 -7.364 7.163
215 HD12 LEU 32 HD12 LEU 32 -8.845 -6.703 6.725
216 HD13 LEU 32 HD13 LEU 32 -7.659 -5.689 7.550
217 HD21 LEU 32 HD21 LEU 32 -5.647 -4.948 6.411
218 HD22 LEU 32 HD22 LEU 32 -5.367 -5.319 4.717
219 HD23 LEU 32 HD23 LEU 32 -5.211 -6.588 5.936
220 H GLN 33 H GLN 33 -4.745 -7.787 2.618
221 HA GLN 33 HA GLN 33 -3.757 -9.456 1.518
222 HB2 GLN 33 HB2 GLN 33 -6.031 -11.024 2.720
223 HB3 GLN 33 HB1 GLN 33 -4.599 -11.747 2.006
224 HG2 GLN 33 HG2 GLN 33 -4.622 -9.892 4.375
225 HG3 GLN 33 HG1 GLN 33 -4.498 -11.646 4.454
226 HE21 GLN 33 1HE2 GLN 33 -2.686 -9.607 5.394
227 HE22 GLN 33 2HE2 GLN 33 -1.160 -9.920 4.636
228 HA PRO 34 HA PRO 34 -6.417 -9.721 -2.197
229 HB2 PRO 34 HB2 PRO 34 -5.469 -7.722 -3.653
230 HB3 PRO 34 HB1 PRO 34 -6.530 -7.371 -2.285
231 HG2 PRO 34 HG2 PRO 34 -3.561 -7.140 -2.478
232 HG3 PRO 34 HG1 PRO 34 -4.722 -6.048 -1.704
233 HD2 PRO 34 HD2 PRO 34 -3.233 -8.020 -0.374
234 HD3 PRO 34 HD1 PRO 34 -4.685 -7.223 0.238
235 HA PRO 35 HA PRO 35 -3.268 -11.916 -4.595
236 HB2 PRO 35 HB2 PRO 35 -4.275 -10.711 -7.089
237 HB3 PRO 35 HB1 PRO 35 -4.233 -12.408 -6.618
238 HG2 PRO 35 HG2 PRO 35 -6.508 -10.951 -6.749
239 HG3 PRO 35 HG1 PRO 35 -6.299 -12.318 -5.636
240 HD2 PRO 35 HD2 PRO 35 -6.276 -9.396 -5.098
241 HD3 PRO 35 HD1 PRO 35 -6.772 -10.738 -4.056
242 HA PRO 36 HA PRO 36 0.213 -9.201 -5.233
243 HB2 PRO 36 HB2 PRO 36 1.160 -10.252 -7.670
244 HB3 PRO 36 HB1 PRO 36 1.647 -10.770 -6.061
245 HG2 PRO 36 HG2 PRO 36 -0.358 -11.956 -7.911
246 HG3 PRO 36 HG1 PRO 36 0.726 -12.759 -6.763
247 HD2 PRO 36 HD2 PRO 36 -1.868 -12.512 -6.246
248 HD3 PRO 36 HD1 PRO 36 -0.666 -12.306 -4.951
249 H TRP 37 H TRP 37 -1.933 -9.647 -7.953
250 HA TRP 37 HA TRP 37 -0.903 -7.294 -9.295
251 HB2 TRP 37 HB2 TRP 37 -2.636 -7.887 -11.030
252 HB3 TRP 37 HB1 TRP 37 -1.355 -9.071 -10.779
253 HD1 TRP 37 HD TRP 37 -5.094 -8.512 -9.946
254 HE1 TRP 37 HE1 TRP 37 -6.193 -10.812 -9.631
255 HE3 TRP 37 3HE TRP 37 -0.933 -11.454 -10.310
256 HZ2 TRP 37 HZ2 TRP 37 -5.406 -13.522 -9.549
257 HZ3 TRP 37 HZ3 TRP 37 -1.192 -13.894 -10.099
258 HH2 TRP 37 HH TRP 37 -3.387 -14.902 -9.727
259 H GLU 38 H GLU 38 -3.042 -7.725 -6.832
260 HA GLU 38 HA GLU 38 -4.882 -5.735 -7.845
261 HB2 GLU 38 HB2 GLU 38 -5.046 -7.623 -5.557
262 HB3 GLU 38 HB1 GLU 38 -6.205 -6.300 -5.748
263 HG2 GLU 38 HG2 GLU 38 -5.647 -8.494 -7.729
264 HG3 GLU 38 HG1 GLU 38 -7.062 -8.384 -6.687
265 H CYS 39 H CYS 39 -2.120 -5.762 -6.071
266 HA CYS 39 HA CYS 39 -2.896 -3.424 -4.529
267 HB2 CYS 39 HB2 CYS 39 -0.216 -4.792 -4.824
268 HB3 CYS 39 HB1 CYS 39 -0.552 -3.426 -3.764
269 H TYR 40 H TYR 40 -1.966 -1.405 -4.903
270 HA TYR 40 HA TYR 40 -1.049 -0.961 -7.638
271 HB2 TYR 40 HB2 TYR 40 -1.613 1.046 -5.436
272 HB3 TYR 40 HB1 TYR 40 -1.403 1.386 -7.145
273 HD1 TYR 40 HD1 TYR 40 -3.241 1.032 -8.710
274 HD2 TYR 40 HD2 TYR 40 -3.679 0.124 -4.584
275 HE1 TYR 40 HE1 TYR 40 -5.671 0.923 -8.992
276 HE2 TYR 40 HE2 TYR 40 -6.107 0.007 -4.855
277 HH TYR 40 HH TYR 40 -7.588 -0.114 -7.871
278 H GLN 41 H GLN 41 1.047 -0.050 -7.912
279 HA GLN 41 HA GLN 41 2.665 -0.584 -5.558
280 HB2 GLN 41 HB2 GLN 41 4.555 -0.989 -7.129
281 HB3 GLN 41 HB1 GLN 41 3.239 -2.140 -7.242
282 HG2 GLN 41 HG2 GLN 41 2.411 -0.918 -9.229
283 HG3 GLN 41 HG1 GLN 41 3.830 0.123 -9.125
284 HE21 GLN 41 1HE2 GLN 41 2.683 -3.068 -9.775
285 HE22 GLN 41 2HE2 GLN 41 4.083 -3.651 -10.581
286 H CYS 42 H CYS 42 3.661 0.938 -4.588
287 HA CYS 42 HA CYS 42 3.774 3.558 -5.644
288 HB2 CYS 42 HB2 CYS 42 5.119 2.350 -3.210
289 HB3 CYS 42 HB1 CYS 42 4.997 4.069 -3.567
Start of MODEL 9
1 H PCA 1 H PGL 1 -10.676 0.429 3.367
2 HA PCA 1 HA PGL 1 -12.012 2.597 3.218
3 HB2 PCA 1 HB1 PGL 1 -12.961 3.220 5.188
4 HB3 PCA 1 HB2 PGL 1 -11.341 3.435 5.907
5 HG2 PCA 1 HG1 PGL 1 -13.217 1.212 6.255
6 HG3 PCA 1 HG2 PGL 1 -11.671 1.535 7.109
7 H GLU 2 H GLU 2 -9.045 1.688 4.692
8 HA GLU 2 HA GLU 2 -7.787 4.212 3.854
9 HB2 GLU 2 HB2 GLU 2 -6.850 2.136 5.848
10 HB3 GLU 2 HB1 GLU 2 -5.979 3.601 5.421
11 HG2 GLU 2 HG2 GLU 2 -7.723 4.964 6.370
12 HG3 GLU 2 HG1 GLU 2 -8.702 3.535 6.692
13 H ALA 3 H ALA 3 -5.617 3.927 2.867
14 HA ALA 3 HA ALA 3 -5.588 1.620 1.144
15 HB1 ALA 3 HB1 ALA 3 -3.603 3.896 1.425
16 HB2 ALA 3 HB2 ALA 3 -4.921 3.820 0.257
17 HB3 ALA 3 HB3 ALA 3 -3.587 2.673 0.156
18 H PHE 4 H PHE 4 -4.682 -0.169 1.692
19 HA PHE 4 HA PHE 4 -3.172 -0.345 4.150
20 HB2 PHE 4 HB2 PHE 4 -4.133 -2.491 2.271
21 HB3 PHE 4 HB1 PHE 4 -3.502 -2.757 3.886
22 HD1 PHE 4 HD1 PHE 4 -4.839 -1.233 5.735
23 HD2 PHE 4 HD2 PHE 4 -6.380 -2.590 2.014
24 HE1 PHE 4 HE1 PHE 4 -7.134 -0.998 6.599
25 HE2 PHE 4 HE2 PHE 4 -8.672 -2.355 2.870
26 HZ PHE 4 HZ PHE 4 -9.057 -1.565 5.150
27 H CYS 5 H CYS 5 -1.059 -0.835 4.262
28 HA CYS 5 HA CYS 5 0.353 -0.758 1.712
29 HB2 CYS 5 HB2 CYS 5 1.311 -0.047 4.482
30 HB3 CYS 5 HB1 CYS 5 2.269 0.057 3.010
31 H TYR 6 H TYR 6 1.279 -2.470 1.064
32 HA TYR 6 HA TYR 6 2.203 -4.517 2.974
33 HB2 TYR 6 HB2 TYR 6 1.384 -4.956 0.102
34 HB3 TYR 6 HB1 TYR 6 1.781 -6.181 1.281
35 HD1 TYR 6 HD1 TYR 6 -0.815 -3.814 0.209
36 HD2 TYR 6 HD2 TYR 6 0.164 -6.924 2.933
37 HE1 TYR 6 HE1 TYR 6 -3.150 -3.987 0.832
38 HE2 TYR 6 HE2 TYR 6 -2.188 -7.104 3.575
39 HH TYR 6 HH TYR 6 -4.721 -5.412 1.874
40 H SER 7 H SER 7 4.252 -4.553 3.045
41 HA SER 7 HA SER 7 5.861 -2.998 1.317
42 HB2 SER 7 HB2 SER 7 7.718 -4.085 2.651
43 HB3 SER 7 HB1 SER 7 6.422 -3.309 3.586
44 HG SER 7 HG SER 7 7.251 -5.688 3.910
45 H ASP 8 H ASP 8 4.980 -6.280 1.523
46 HA ASP 8 HA ASP 8 6.759 -7.226 -0.493
47 HB2 ASP 8 HB2 ASP 8 6.114 -8.794 1.149
48 HB3 ASP 8 HB1 ASP 8 4.405 -8.451 0.904
49 H ARG 9 H ARG 9 6.300 -7.811 -2.548
50 HA ARG 9 HA ARG 9 4.446 -6.083 -3.894
51 HB2 ARG 9 HB2 ARG 9 6.488 -8.060 -4.876
52 HB3 ARG 9 HB1 ARG 9 5.380 -7.258 -5.972
53 HG2 ARG 9 HG2 ARG 9 7.518 -6.148 -5.984
54 HG3 ARG 9 HG1 ARG 9 6.305 -5.080 -5.294
55 HD2 ARG 9 HD2 ARG 9 8.398 -4.954 -4.041
56 HD3 ARG 9 HD1 ARG 9 7.118 -5.641 -3.041
57 HE ARG 9 HE ARG 9 8.724 -7.585 -4.412
58 HH11 ARG 9 HH11 ARG 9 8.376 -5.704 -1.408
59 HH12 ARG 9 HH12 ARG 9 9.423 -6.687 -0.520
60 HH21 ARG 9 HH21 ARG 9 10.156 -8.928 -3.185
61 HH22 ARG 9 HH22 ARG 9 10.485 -8.578 -1.566
62 H PHE 10 H PHE 10 4.240 -9.224 -2.651
63 HA PHE 10 HA PHE 10 2.220 -10.034 -4.581
64 HB2 PHE 10 HB2 PHE 10 3.615 -11.579 -2.388
65 HB3 PHE 10 HB1 PHE 10 2.410 -12.247 -3.478
66 HD1 PHE 10 HD1 PHE 10 5.838 -11.037 -3.161
67 HD2 PHE 10 HD2 PHE 10 2.939 -12.733 -5.765
68 HE1 PHE 10 HE1 PHE 10 7.602 -11.572 -4.773
69 HE2 PHE 10 HE2 PHE 10 4.699 -13.273 -7.383
70 HZ PHE 10 HZ PHE 10 7.038 -12.695 -6.892
71 H CYS 11 H CYS 11 2.235 -8.103 -2.092
72 HA CYS 11 HA CYS 11 0.619 -7.262 -0.703
73 HB2 CYS 11 HB2 CYS 11 -1.167 -9.445 -1.796
74 HB3 CYS 11 HB1 CYS 11 -1.668 -8.012 -0.913
75 H GLN 12 H GLN 12 2.347 -9.788 -0.053
76 HA GLN 12 HA GLN 12 0.578 -11.056 1.857
77 HB2 GLN 12 HB2 GLN 12 3.379 -11.773 1.018
78 HB3 GLN 12 HB1 GLN 12 2.405 -12.693 2.155
79 HG2 GLN 12 HG2 GLN 12 1.713 -12.177 -0.732
80 HG3 GLN 12 HG1 GLN 12 2.375 -13.674 -0.084
81 HE21 GLN 12 1HE2 GLN 12 0.765 -13.622 2.340
82 HE22 GLN 12 2HE2 GLN 12 -0.845 -14.003 1.840
83 H ASN 13 H ASN 13 2.529 -8.387 2.040
84 HA ASN 13 HA ASN 13 3.081 -9.038 4.858
85 HB2 ASN 13 HB2 ASN 13 4.933 -7.508 3.026
86 HB3 ASN 13 HB1 ASN 13 5.060 -7.437 4.772
87 HD21 ASN 13 HD21 ASN 13 7.081 -8.318 4.824
88 HD22 ASN 13 HD22 ASN 13 7.387 -9.980 4.477
89 H TYR 14 H TYR 14 1.261 -8.111 5.573
90 HA TYR 14 HA TYR 14 0.551 -5.423 4.933
91 HB2 TYR 14 HB2 TYR 14 -1.144 -7.101 5.562
92 HB3 TYR 14 HB1 TYR 14 -0.413 -7.249 7.153
93 HD1 TYR 14 HD1 TYR 14 -2.230 -4.919 4.913
94 HD2 TYR 14 HD2 TYR 14 -1.014 -5.753 8.902
95 HE1 TYR 14 HE1 TYR 14 -3.699 -3.145 5.734
96 HE2 TYR 14 HE2 TYR 14 -2.491 -3.974 9.727
97 HH TYR 14 HH TYR 14 -4.877 -2.572 7.815
98 H ILE 15 H ILE 15 1.725 -3.750 5.665
99 HA ILE 15 HA ILE 15 3.003 -4.024 8.300
100 HB ILE 15 HB ILE 15 4.468 -2.132 7.672
101 HG12 ILE 15 HG12 ILE 15 3.155 -2.345 4.944
102 HG13 ILE 15 HG11 ILE 15 2.919 -1.025 6.080
103 HG21 ILE 15 HG21 ILE 15 4.473 -4.421 5.711
104 HG22 ILE 15 HG22 ILE 15 5.242 -4.394 7.299
105 HG23 ILE 15 HG23 ILE 15 5.829 -3.336 6.016
106 HD11 ILE 15 HD11 ILE 15 5.516 -1.763 4.747
107 HD12 ILE 15 HD12 ILE 15 5.274 -0.426 5.869
108 HD13 ILE 15 HD13 ILE 15 4.464 -0.421 4.304
109 H GLY 16 H GLY 16 0.266 -2.881 7.099
110 HA2 GLY 16 HA2 GLY 16 -1.146 -1.738 8.756
111 HA3 GLY 16 HA1 GLY 16 0.196 -0.613 8.972
112 H SER 17 H SER 17 -1.082 1.150 8.357
113 HA SER 17 HA SER 17 -1.290 1.426 5.483
114 HB2 SER 17 HB2 SER 17 -3.561 2.469 5.804
115 HB3 SER 17 HB1 SER 17 -3.522 0.730 6.100
116 HG SER 17 HG SER 17 -3.052 2.459 8.233
117 H ILE 18 H ILE 18 -0.482 3.381 4.953
118 HA ILE 18 HA ILE 18 -0.499 5.478 6.953
119 HB ILE 18 HB ILE 18 1.853 6.091 6.210
120 HG12 ILE 18 HG12 ILE 18 1.790 3.253 5.159
121 HG13 ILE 18 HG11 ILE 18 1.999 4.724 4.222
122 HG21 ILE 18 HG21 ILE 18 2.954 4.538 7.777
123 HG22 ILE 18 HG22 ILE 18 1.488 3.557 7.801
124 HG23 ILE 18 HG23 ILE 18 1.453 5.208 8.418
125 HD11 ILE 18 HD11 ILE 18 4.160 5.093 5.278
126 HD12 ILE 18 HD12 ILE 18 4.087 3.500 4.518
127 HD13 ILE 18 HD13 ILE 18 3.915 3.652 6.267
128 HA PRO 19 HA PRO 19 -2.057 7.977 3.644
129 HB2 PRO 19 HB2 PRO 19 -0.288 10.041 4.881
130 HB3 PRO 19 HB1 PRO 19 -1.989 10.161 4.412
131 HG2 PRO 19 HG2 PRO 19 -1.379 9.869 6.953
132 HG3 PRO 19 HG1 PRO 19 -2.716 8.933 6.259
133 HD2 PRO 19 HD2 PRO 19 0.053 8.040 6.952
134 HD3 PRO 19 HD1 PRO 19 -1.490 7.187 7.133
135 H ASP 20 H ASP 20 1.405 8.389 4.386
136 HA ASP 20 HA ASP 20 1.896 8.946 1.555
137 HB2 ASP 20 HB2 ASP 20 3.803 9.046 3.909
138 HB3 ASP 20 HB1 ASP 20 4.229 9.470 2.262
139 H CYS 21 H CYS 21 1.094 6.599 1.485
140 HA CYS 21 HA CYS 21 2.759 4.471 2.376
141 HB2 CYS 21 HB2 CYS 21 0.271 4.365 1.830
142 HB3 CYS 21 HB1 CYS 21 0.738 4.327 0.135
143 H CYS 22 H CYS 22 2.605 6.323 -0.598
144 HA CYS 22 HA CYS 22 4.406 4.480 -1.894
145 HB2 CYS 22 HB2 CYS 22 3.067 6.971 -2.901
146 HB3 CYS 22 HB1 CYS 22 4.223 6.045 -3.855
147 H PHE 23 H PHE 23 4.979 6.716 0.299
148 HA PHE 23 HA PHE 23 7.446 7.617 -0.973
149 HB2 PHE 23 HB2 PHE 23 5.991 8.580 1.487
150 HB3 PHE 23 HB1 PHE 23 7.632 9.094 1.105
151 HD1 PHE 23 HD1 PHE 23 8.083 10.512 -0.813
152 HD2 PHE 23 HD2 PHE 23 4.095 9.387 0.182
153 HE1 PHE 23 HE1 PHE 23 7.218 12.274 -2.288
154 HE2 PHE 23 HE2 PHE 23 3.234 11.143 -1.289
155 HZ PHE 23 HZ PHE 23 4.791 12.591 -2.528
156 H GLY 24 H GLY 24 6.772 4.971 -0.029
157 HA2 GLY 24 HA2 GLY 24 9.259 4.365 1.227
158 HA3 GLY 24 HA1 GLY 24 7.802 3.883 2.113
159 H ARG 25 H ARG 25 9.445 1.928 1.109
160 HA ARG 25 HA ARG 25 8.492 1.062 -1.457
161 HB2 ARG 25 HB2 ARG 25 10.185 -0.249 0.662
162 HB3 ARG 25 HB1 ARG 25 9.719 -1.069 -0.818
163 HG2 ARG 25 HG2 ARG 25 11.220 1.534 -0.768
164 HG3 ARG 25 HG1 ARG 25 12.000 -0.047 -0.846
165 HD2 ARG 25 HD2 ARG 25 10.009 1.038 -2.847
166 HD3 ARG 25 HD1 ARG 25 11.755 0.949 -3.072
167 HE ARG 25 HE ARG 25 11.142 -1.582 -2.498
168 HH11 ARG 25 HH11 ARG 25 9.680 0.654 -4.817
169 HH12 ARG 25 HH12 ARG 25 9.303 -0.544 -5.962
170 HH21 ARG 25 HH21 ARG 25 10.598 -3.267 -4.092
171 HH22 ARG 25 HH22 ARG 25 9.841 -2.810 -5.542
172 H GLY 26 H GLY 26 6.496 0.369 -1.693
173 HA2 GLY 26 HA2 GLY 26 5.554 -1.894 -0.380
174 HA3 GLY 26 HA1 GLY 26 4.843 -0.472 0.377
175 H SER 27 H SER 27 3.325 -2.305 -0.776
176 HA SER 27 HA SER 27 2.335 -1.100 -3.260
177 HB2 SER 27 HB2 SER 27 1.670 -3.817 -2.101
178 HB3 SER 27 HB1 SER 27 1.453 -3.255 -3.759
179 HG SER 27 HG SER 27 3.540 -4.464 -2.615
180 H TYR 28 H TYR 28 0.056 -0.630 -3.187
181 HA TYR 28 HA TYR 28 -1.132 -0.883 -0.524
182 HB2 TYR 28 HB2 TYR 28 -2.071 1.331 -0.555
183 HB3 TYR 28 HB1 TYR 28 -0.345 1.453 -0.812
184 HD1 TYR 28 HD1 TYR 28 -3.647 2.122 -2.176
185 HD2 TYR 28 HD2 TYR 28 0.511 2.078 -3.092
186 HE1 TYR 28 HE1 TYR 28 -4.069 3.546 -4.125
187 HE2 TYR 28 HE2 TYR 28 0.104 3.495 -5.033
188 HH TYR 28 HH TYR 28 -2.802 5.152 -5.526
189 H SER 29 H SER 29 -3.293 -1.170 -0.388
190 HA SER 29 HA SER 29 -4.875 -1.217 -2.807
191 HB2 SER 29 HB2 SER 29 -5.704 -3.497 -2.276
192 HB3 SER 29 HB1 SER 29 -3.992 -3.488 -2.700
193 HG SER 29 HG SER 29 -5.162 -4.280 -0.380
194 H PHE 30 H PHE 30 -7.226 -1.743 -2.097
195 HA PHE 30 HA PHE 30 -7.646 -0.396 0.463
196 HB2 PHE 30 HB2 PHE 30 -9.451 -0.529 -1.968
197 HB3 PHE 30 HB1 PHE 30 -9.806 0.337 -0.474
198 HD1 PHE 30 HD1 PHE 30 -8.362 2.263 0.195
199 HD2 PHE 30 HD2 PHE 30 -8.072 0.446 -3.642
200 HE1 PHE 30 HE1 PHE 30 -7.161 4.236 -0.647
201 HE2 PHE 30 HE2 PHE 30 -6.868 2.417 -4.487
202 HZ PHE 30 HZ PHE 30 -6.412 4.314 -2.991
203 H GLU 31 H GLU 31 -7.261 -3.256 -0.357
204 HA GLU 31 HA GLU 31 -9.477 -4.350 1.203
205 HB2 GLU 31 HB2 GLU 31 -9.931 -4.852 -1.173
206 HB3 GLU 31 HB1 GLU 31 -8.338 -5.564 -1.340
207 HG2 GLU 31 HG2 GLU 31 -10.057 -7.277 -1.163
208 HG3 GLU 31 HG1 GLU 31 -8.959 -7.337 0.212
209 H LEU 32 H LEU 32 -8.918 -6.229 2.374
210 HA LEU 32 HA LEU 32 -6.151 -6.233 3.228
211 HB2 LEU 32 HB2 LEU 32 -8.538 -7.754 4.263
212 HB3 LEU 32 HB1 LEU 32 -6.942 -7.792 4.980
213 HG LEU 32 HG LEU 32 -8.727 -5.365 4.790
214 HD11 LEU 32 HD11 LEU 32 -7.914 -7.041 7.151
215 HD12 LEU 32 HD12 LEU 32 -9.506 -7.035 6.394
216 HD13 LEU 32 HD13 LEU 32 -8.906 -5.585 7.203
217 HD21 LEU 32 HD21 LEU 32 -6.361 -4.768 4.661
218 HD22 LEU 32 HD22 LEU 32 -6.035 -5.721 6.109
219 HD23 LEU 32 HD23 LEU 32 -7.060 -4.290 6.203
220 H GLN 33 H GLN 33 -4.724 -7.463 2.478
221 HA GLN 33 HA GLN 33 -3.636 -8.925 1.222
222 HB2 GLN 33 HB2 GLN 33 -5.417 -10.895 2.665
223 HB3 GLN 33 HB1 GLN 33 -4.019 -11.350 1.716
224 HG2 GLN 33 HG2 GLN 33 -3.346 -11.419 3.974
225 HG3 GLN 33 HG1 GLN 33 -2.635 -9.957 3.305
226 HE21 GLN 33 1HE2 GLN 33 -5.063 -11.252 5.413
227 HE22 GLN 33 2HE2 GLN 33 -5.378 -9.807 6.289
228 HA PRO 34 HA PRO 34 -6.503 -9.694 -2.242
229 HB2 PRO 34 HB2 PRO 34 -5.297 -7.583 -3.721
230 HB3 PRO 34 HB1 PRO 34 -6.925 -7.586 -3.035
231 HG2 PRO 34 HG2 PRO 34 -4.863 -5.920 -2.233
232 HG3 PRO 34 HG1 PRO 34 -6.279 -6.321 -1.249
233 HD2 PRO 34 HD2 PRO 34 -3.524 -7.477 -1.164
234 HD3 PRO 34 HD1 PRO 34 -4.624 -7.076 0.172
235 HA PRO 35 HA PRO 35 -3.211 -11.652 -4.571
236 HB2 PRO 35 HB2 PRO 35 -4.083 -11.303 -7.187
237 HB3 PRO 35 HB1 PRO 35 -4.613 -12.604 -6.123
238 HG2 PRO 35 HG2 PRO 35 -5.979 -10.068 -6.844
239 HG3 PRO 35 HG1 PRO 35 -6.670 -11.660 -6.501
240 HD2 PRO 35 HD2 PRO 35 -6.720 -9.593 -4.729
241 HD3 PRO 35 HD1 PRO 35 -6.702 -11.297 -4.240
242 HA PRO 36 HA PRO 36 0.040 -8.780 -5.240
243 HB2 PRO 36 HB2 PRO 36 0.563 -9.804 -7.922
244 HB3 PRO 36 HB1 PRO 36 1.587 -9.863 -6.494
245 HG2 PRO 36 HG2 PRO 36 -0.134 -11.914 -7.583
246 HG3 PRO 36 HG1 PRO 36 0.993 -12.033 -6.228
247 HD2 PRO 36 HD2 PRO 36 -1.727 -12.191 -6.005
248 HD3 PRO 36 HD1 PRO 36 -0.660 -11.670 -4.681
249 H TRP 37 H TRP 37 -1.700 -9.228 -8.268
250 HA TRP 37 HA TRP 37 -0.937 -6.767 -9.414
251 HB2 TRP 37 HB2 TRP 37 -2.770 -7.312 -11.092
252 HB3 TRP 37 HB1 TRP 37 -1.457 -8.473 -10.924
253 HD1 TRP 37 HD TRP 37 -5.193 -8.054 -10.034
254 HE1 TRP 37 HE1 TRP 37 -6.177 -10.382 -9.621
255 HE3 TRP 37 3HE TRP 37 -0.898 -10.816 -10.287
256 HZ2 TRP 37 HZ2 TRP 37 -5.272 -13.045 -9.434
257 HZ3 TRP 37 HZ3 TRP 37 -1.051 -13.251 -9.966
258 HH2 TRP 37 HH TRP 37 -3.193 -14.338 -9.552
259 H GLU 38 H GLU 38 -3.399 -7.441 -7.141
260 HA GLU 38 HA GLU 38 -5.062 -5.210 -7.929
261 HB2 GLU 38 HB2 GLU 38 -5.188 -7.113 -5.606
262 HB3 GLU 38 HB1 GLU 38 -6.399 -5.873 -5.928
263 HG2 GLU 38 HG2 GLU 38 -5.678 -8.124 -7.790
264 HG3 GLU 38 HG1 GLU 38 -7.051 -8.151 -6.693
265 H CYS 39 H CYS 39 -2.340 -5.754 -5.973
266 HA CYS 39 HA CYS 39 -2.787 -3.357 -4.386
267 HB2 CYS 39 HB2 CYS 39 -0.406 -5.228 -4.509
268 HB3 CYS 39 HB1 CYS 39 -0.561 -3.849 -3.433
269 H TYR 40 H TYR 40 -2.023 -1.466 -4.983
270 HA TYR 40 HA TYR 40 -0.681 -1.233 -7.515
271 HB2 TYR 40 HB2 TYR 40 -1.444 0.903 -5.512
272 HB3 TYR 40 HB1 TYR 40 -0.972 1.168 -7.182
273 HD1 TYR 40 HD1 TYR 40 -2.490 0.235 -9.008
274 HD2 TYR 40 HD2 TYR 40 -3.672 0.541 -4.941
275 HE1 TYR 40 HE1 TYR 40 -4.839 0.097 -9.688
276 HE2 TYR 40 HE2 TYR 40 -6.018 0.402 -5.597
277 HH TYR 40 HH TYR 40 -7.403 0.850 -7.634
278 H GLN 41 H GLN 41 1.392 -1.567 -7.532
279 HA GLN 41 HA GLN 41 3.053 -1.352 -5.208
280 HB2 GLN 41 HB2 GLN 41 3.788 -1.822 -8.103
281 HB3 GLN 41 HB1 GLN 41 4.844 -2.065 -6.718
282 HG2 GLN 41 HG2 GLN 41 3.464 -3.863 -5.918
283 HG3 GLN 41 HG1 GLN 41 2.277 -3.564 -7.183
284 HE21 GLN 41 1HE2 GLN 41 3.695 -6.002 -6.622
285 HE22 GLN 41 2HE2 GLN 41 4.621 -6.395 -8.027
286 H CYS 42 H CYS 42 3.740 0.552 -4.504
287 HA CYS 42 HA CYS 42 3.673 2.901 -6.019
288 HB2 CYS 42 HB2 CYS 42 5.115 2.299 -3.434
289 HB3 CYS 42 HB1 CYS 42 4.866 3.909 -4.103
Start of MODEL 10
1 H PCA 1 H PGL 1 -11.086 2.340 1.058
2 HA PCA 1 HA PGL 1 -11.086 4.847 0.874
3 HB2 PCA 1 HB1 PGL 1 -12.524 5.680 2.423
4 HB3 PCA 1 HB2 PGL 1 -11.172 5.560 3.586
5 HG2 PCA 1 HG1 PGL 1 -13.597 4.041 3.603
6 HG3 PCA 1 HG2 PGL 1 -12.140 3.781 4.623
7 H GLU 2 H GLU 2 -9.639 2.679 3.091
8 HA GLU 2 HA GLU 2 -7.365 4.432 3.568
9 HB2 GLU 2 HB2 GLU 2 -8.168 1.797 4.793
10 HB3 GLU 2 HB1 GLU 2 -6.735 2.716 5.230
11 HG2 GLU 2 HG2 GLU 2 -9.570 3.680 5.516
12 HG3 GLU 2 HG1 GLU 2 -8.578 3.023 6.818
13 H ALA 3 H ALA 3 -5.373 3.946 2.825
14 HA ALA 3 HA ALA 3 -5.173 1.778 0.916
15 HB1 ALA 3 HB1 ALA 3 -3.212 3.949 1.689
16 HB2 ALA 3 HB2 ALA 3 -4.292 3.981 0.296
17 HB3 ALA 3 HB3 ALA 3 -2.993 2.795 0.375
18 H PHE 4 H PHE 4 -4.498 -0.107 1.589
19 HA PHE 4 HA PHE 4 -3.203 -0.348 4.176
20 HB2 PHE 4 HB2 PHE 4 -4.128 -2.506 2.262
21 HB3 PHE 4 HB1 PHE 4 -3.643 -2.745 3.934
22 HD1 PHE 4 HD1 PHE 4 -5.065 -1.380 5.708
23 HD2 PHE 4 HD2 PHE 4 -6.343 -2.277 1.761
24 HE1 PHE 4 HE1 PHE 4 -7.406 -1.046 6.387
25 HE2 PHE 4 HE2 PHE 4 -8.680 -1.947 2.440
26 HZ PHE 4 HZ PHE 4 -9.216 -1.333 4.740
27 H CYS 5 H CYS 5 -1.086 -0.681 4.372
28 HA CYS 5 HA CYS 5 0.456 -0.659 1.915
29 HB2 CYS 5 HB2 CYS 5 1.283 -0.135 4.754
30 HB3 CYS 5 HB1 CYS 5 2.281 0.083 3.320
31 H TYR 6 H TYR 6 1.614 -2.252 1.285
32 HA TYR 6 HA TYR 6 2.376 -4.368 3.164
33 HB2 TYR 6 HB2 TYR 6 1.812 -4.813 0.192
34 HB3 TYR 6 HB1 TYR 6 2.161 -6.001 1.419
35 HD1 TYR 6 HD1 TYR 6 -0.395 -3.591 0.311
36 HD2 TYR 6 HD2 TYR 6 0.455 -6.947 2.764
37 HE1 TYR 6 HE1 TYR 6 -2.753 -3.842 0.766
38 HE2 TYR 6 HE2 TYR 6 -1.936 -7.207 3.233
39 HH TYR 6 HH TYR 6 -4.322 -5.354 1.521
40 H SER 7 H SER 7 4.440 -4.891 3.168
41 HA SER 7 HA SER 7 6.279 -3.172 1.753
42 HB2 SER 7 HB2 SER 7 7.890 -4.448 3.223
43 HB3 SER 7 HB1 SER 7 6.601 -3.574 4.068
44 HG SER 7 HG SER 7 6.707 -5.636 4.927
45 H ASP 8 H ASP 8 4.612 -5.682 0.941
46 HA ASP 8 HA ASP 8 6.674 -7.082 -0.592
47 HB2 ASP 8 HB2 ASP 8 5.844 -8.501 1.165
48 HB3 ASP 8 HB1 ASP 8 4.183 -8.097 0.758
49 H ARG 9 H ARG 9 6.226 -7.332 -2.746
50 HA ARG 9 HA ARG 9 4.064 -5.737 -3.742
51 HB2 ARG 9 HB2 ARG 9 6.391 -7.032 -5.077
52 HB3 ARG 9 HB1 ARG 9 5.087 -6.277 -5.993
53 HG2 ARG 9 HG2 ARG 9 5.462 -4.199 -4.729
54 HG3 ARG 9 HG1 ARG 9 6.853 -4.956 -3.950
55 HD2 ARG 9 HD2 ARG 9 7.921 -5.217 -6.103
56 HD3 ARG 9 HD1 ARG 9 6.486 -4.546 -6.893
57 HE ARG 9 HE ARG 9 7.303 -2.700 -5.026
58 HH11 ARG 9 HH11 ARG 9 8.603 -4.067 -8.021
59 HH12 ARG 9 HH12 ARG 9 9.570 -2.711 -8.397
60 HH21 ARG 9 HH21 ARG 9 8.584 -0.816 -5.581
61 HH22 ARG 9 HH22 ARG 9 9.559 -0.831 -6.977
62 H PHE 10 H PHE 10 4.126 -8.865 -2.790
63 HA PHE 10 HA PHE 10 2.259 -9.626 -4.866
64 HB2 PHE 10 HB2 PHE 10 3.544 -11.276 -2.679
65 HB3 PHE 10 HB1 PHE 10 2.386 -11.891 -3.847
66 HD1 PHE 10 HD1 PHE 10 3.022 -11.982 -6.263
67 HD2 PHE 10 HD2 PHE 10 5.819 -11.073 -3.188
68 HE1 PHE 10 HE1 PHE 10 4.861 -12.544 -7.780
69 HE2 PHE 10 HE2 PHE 10 7.669 -11.633 -4.707
70 HZ PHE 10 HZ PHE 10 7.189 -12.374 -7.010
71 H CYS 11 H CYS 11 2.246 -7.879 -2.247
72 HA CYS 11 HA CYS 11 0.618 -7.051 -0.871
73 HB2 CYS 11 HB2 CYS 11 -1.250 -9.084 -2.123
74 HB3 CYS 11 HB1 CYS 11 -1.672 -7.632 -1.221
75 H GLN 12 H GLN 12 2.282 -9.538 -0.319
76 HA GLN 12 HA GLN 12 0.521 -11.080 1.361
77 HB2 GLN 12 HB2 GLN 12 3.418 -11.398 0.657
78 HB3 GLN 12 HB1 GLN 12 2.532 -12.485 1.721
79 HG2 GLN 12 HG2 GLN 12 1.022 -13.069 -0.067
80 HG3 GLN 12 HG1 GLN 12 1.790 -11.900 -1.134
81 HE21 GLN 12 1HE2 GLN 12 3.660 -13.864 1.040
82 HE22 GLN 12 2HE2 GLN 12 4.363 -14.863 -0.157
83 H ASN 13 H ASN 13 2.680 -8.418 1.895
84 HA ASN 13 HA ASN 13 2.785 -9.257 4.724
85 HB2 ASN 13 HB2 ASN 13 4.897 -7.625 3.299
86 HB3 ASN 13 HB1 ASN 13 4.899 -8.004 5.010
87 HD21 ASN 13 HD21 ASN 13 6.915 -8.587 3.131
88 HD22 ASN 13 HD22 ASN 13 7.104 -10.298 3.070
89 H TYR 14 H TYR 14 1.055 -8.193 5.458
90 HA TYR 14 HA TYR 14 0.549 -5.440 4.855
91 HB2 TYR 14 HB2 TYR 14 -1.328 -6.917 5.333
92 HB3 TYR 14 HB1 TYR 14 -0.651 -7.329 6.902
93 HD1 TYR 14 HD1 TYR 14 -1.031 -5.954 8.797
94 HD2 TYR 14 HD2 TYR 14 -2.231 -4.602 4.949
95 HE1 TYR 14 HE1 TYR 14 -2.262 -4.124 9.837
96 HE2 TYR 14 HE2 TYR 14 -3.472 -2.759 5.990
97 HH TYR 14 HH TYR 14 -4.501 -2.220 8.210
98 H ILE 15 H ILE 15 1.561 -3.795 5.758
99 HA ILE 15 HA ILE 15 2.864 -4.261 8.346
100 HB ILE 15 HB ILE 15 4.317 -2.304 7.843
101 HG12 ILE 15 HG12 ILE 15 3.047 -2.457 5.094
102 HG13 ILE 15 HG11 ILE 15 2.820 -1.155 6.253
103 HG21 ILE 15 HG21 ILE 15 4.387 -4.536 5.825
104 HG22 ILE 15 HG22 ILE 15 5.090 -4.560 7.440
105 HG23 ILE 15 HG23 ILE 15 5.732 -3.463 6.218
106 HD11 ILE 15 HD11 ILE 15 4.387 -0.536 4.505
107 HD12 ILE 15 HD12 ILE 15 5.416 -1.905 4.926
108 HD13 ILE 15 HD13 ILE 15 5.184 -0.588 6.077
109 H GLY 16 H GLY 16 0.332 -2.526 6.901
110 HA2 GLY 16 HA2 GLY 16 -1.047 -1.686 8.948
111 HA3 GLY 16 HA1 GLY 16 0.271 -0.514 9.007
112 H SER 17 H SER 17 -1.858 0.814 8.643
113 HA SER 17 HA SER 17 -1.939 1.310 5.771
114 HB2 SER 17 HB2 SER 17 -4.364 2.060 6.205
115 HB3 SER 17 HB1 SER 17 -4.056 0.326 6.215
116 HG SER 17 HG SER 17 -4.756 2.044 8.290
117 H ILE 18 H ILE 18 -1.516 3.372 5.226
118 HA ILE 18 HA ILE 18 -1.733 5.507 7.153
119 HB ILE 18 HB ILE 18 0.663 6.241 6.657
120 HG12 ILE 18 HG12 ILE 18 0.945 3.351 5.799
121 HG13 ILE 18 HG11 ILE 18 1.129 4.768 4.777
122 HG21 ILE 18 HG21 ILE 18 1.692 4.886 8.423
123 HG22 ILE 18 HG22 ILE 18 0.313 3.789 8.360
124 HG23 ILE 18 HG23 ILE 18 0.083 5.465 8.854
125 HD11 ILE 18 HD11 ILE 18 3.280 3.804 5.363
126 HD12 ILE 18 HD12 ILE 18 2.909 3.996 7.077
127 HD13 ILE 18 HD13 ILE 18 3.111 5.420 6.052
128 HA PRO 19 HA PRO 19 -2.357 7.583 3.246
129 HB2 PRO 19 HB2 PRO 19 -2.545 10.107 4.062
130 HB3 PRO 19 HB1 PRO 19 -3.736 8.908 4.583
131 HG2 PRO 19 HG2 PRO 19 -1.424 10.056 6.078
132 HG3 PRO 19 HG1 PRO 19 -3.043 9.650 6.669
133 HD2 PRO 19 HD2 PRO 19 -0.754 8.068 6.938
134 HD3 PRO 19 HD1 PRO 19 -2.426 7.507 7.134
135 H ASP 20 H ASP 20 0.411 7.378 4.646
136 HA ASP 20 HA ASP 20 1.890 9.101 2.783
137 HB2 ASP 20 HB2 ASP 20 3.631 9.346 4.569
138 HB3 ASP 20 HB1 ASP 20 2.099 10.077 5.014
139 H CYS 21 H CYS 21 1.009 6.613 2.287
140 HA CYS 21 HA CYS 21 2.694 4.474 3.119
141 HB2 CYS 21 HB2 CYS 21 0.249 4.387 2.418
142 HB3 CYS 21 HB1 CYS 21 0.823 4.508 0.762
143 H CYS 22 H CYS 22 2.951 6.831 0.606
144 HA CYS 22 HA CYS 22 4.469 5.080 -1.137
145 HB2 CYS 22 HB2 CYS 22 3.560 7.920 -1.497
146 HB3 CYS 22 HB1 CYS 22 4.456 7.008 -2.699
147 H PHE 23 H PHE 23 5.509 6.338 1.507
148 HA PHE 23 HA PHE 23 7.893 7.516 0.326
149 HB2 PHE 23 HB2 PHE 23 7.004 7.431 3.221
150 HB3 PHE 23 HB1 PHE 23 8.537 8.103 2.687
151 HD1 PHE 23 HD1 PHE 23 8.615 10.211 1.485
152 HD2 PHE 23 HD2 PHE 23 4.915 8.587 2.814
153 HE1 PHE 23 HE1 PHE 23 7.529 12.386 1.107
154 HE2 PHE 23 HE2 PHE 23 3.820 10.759 2.435
155 HZ PHE 23 HZ PHE 23 5.123 12.659 1.582
156 H GLY 24 H GLY 24 8.435 5.450 -0.578
157 HA2 GLY 24 HA2 GLY 24 10.543 4.172 -0.057
158 HA3 GLY 24 HA1 GLY 24 9.659 3.606 1.360
159 H ARG 25 H ARG 25 10.185 1.471 0.265
160 HA ARG 25 HA ARG 25 8.648 0.789 -2.051
161 HB2 ARG 25 HB2 ARG 25 10.689 -0.472 -1.567
162 HB3 ARG 25 HB1 ARG 25 10.050 -0.946 -0.000
163 HG2 ARG 25 HG2 ARG 25 8.311 -2.271 -1.090
164 HG3 ARG 25 HG1 ARG 25 8.919 -1.779 -2.669
165 HD2 ARG 25 HD2 ARG 25 10.532 -3.284 -0.617
166 HD3 ARG 25 HD1 ARG 25 9.657 -4.053 -1.938
167 HE ARG 25 HE ARG 25 11.208 -2.186 -3.145
168 HH11 ARG 25 HH11 ARG 25 11.987 -4.838 -0.916
169 HH12 ARG 25 HH12 ARG 25 13.475 -5.211 -1.643
170 HH21 ARG 25 HH21 ARG 25 13.265 -2.726 -4.162
171 HH22 ARG 25 HH22 ARG 25 14.223 -3.981 -3.520
172 H GLY 26 H GLY 26 6.494 0.710 -1.969
173 HA2 GLY 26 HA2 GLY 26 5.243 -0.782 0.143
174 HA3 GLY 26 HA1 GLY 26 4.866 0.935 0.106
175 H SER 27 H SER 27 3.667 -1.855 -0.647
176 HA SER 27 HA SER 27 2.369 -1.021 -3.136
177 HB2 SER 27 HB2 SER 27 2.122 -3.634 -1.625
178 HB3 SER 27 HB1 SER 27 1.671 -3.311 -3.299
179 HG SER 27 HG SER 27 3.839 -4.333 -2.515
180 H TYR 28 H TYR 28 0.106 -0.659 -3.027
181 HA TYR 28 HA TYR 28 -1.056 -0.986 -0.387
182 HB2 TYR 28 HB2 TYR 28 -2.080 1.191 -0.371
183 HB3 TYR 28 HB1 TYR 28 -0.346 1.377 -0.542
184 HD1 TYR 28 HD1 TYR 28 0.594 2.139 -2.777
185 HD2 TYR 28 HD2 TYR 28 -3.602 2.004 -2.009
186 HE1 TYR 28 HE1 TYR 28 0.195 3.617 -4.675
187 HE2 TYR 28 HE2 TYR 28 -4.002 3.476 -3.916
188 HH TYR 28 HH TYR 28 -1.648 4.152 -6.232
189 H SER 29 H SER 29 -3.142 -1.504 -0.320
190 HA SER 29 HA SER 29 -4.617 -1.589 -2.835
191 HB2 SER 29 HB2 SER 29 -5.445 -3.853 -2.209
192 HB3 SER 29 HB1 SER 29 -3.702 -3.840 -2.481
193 HG SER 29 HG SER 29 -5.131 -4.341 -0.178
194 H PHE 30 H PHE 30 -6.992 -2.043 -2.288
195 HA PHE 30 HA PHE 30 -7.620 -0.593 0.164
196 HB2 PHE 30 HB2 PHE 30 -9.283 -0.950 -2.340
197 HB3 PHE 30 HB1 PHE 30 -9.770 -0.030 -0.916
198 HD1 PHE 30 HD1 PHE 30 -8.213 1.890 -0.184
199 HD2 PHE 30 HD2 PHE 30 -8.110 0.110 -4.045
200 HE1 PHE 30 HE1 PHE 30 -7.064 3.872 -1.061
201 HE2 PHE 30 HE2 PHE 30 -6.954 2.100 -4.931
202 HZ PHE 30 HZ PHE 30 -6.431 3.980 -3.436
203 H GLU 31 H GLU 31 -7.211 -3.545 -0.641
204 HA GLU 31 HA GLU 31 -9.351 -4.539 1.109
205 HB2 GLU 31 HB2 GLU 31 -8.143 -5.910 -1.298
206 HB3 GLU 31 HB1 GLU 31 -9.108 -6.746 -0.095
207 HG2 GLU 31 HG2 GLU 31 -11.018 -5.329 -0.655
208 HG3 GLU 31 HG1 GLU 31 -10.036 -4.496 -1.862
209 H LEU 32 H LEU 32 -8.720 -6.184 2.535
210 HA LEU 32 HA LEU 32 -5.949 -6.082 3.309
211 HB2 LEU 32 HB2 LEU 32 -8.324 -7.500 4.507
212 HB3 LEU 32 HB1 LEU 32 -6.702 -7.668 5.132
213 HG LEU 32 HG LEU 32 -7.866 -6.190 6.535
214 HD11 LEU 32 HD11 LEU 32 -6.035 -4.574 4.808
215 HD12 LEU 32 HD12 LEU 32 -5.590 -5.596 6.173
216 HD13 LEU 32 HD13 LEU 32 -6.568 -4.153 6.434
217 HD21 LEU 32 HD21 LEU 32 -8.598 -4.560 4.105
218 HD22 LEU 32 HD22 LEU 32 -8.911 -4.093 5.776
219 HD23 LEU 32 HD23 LEU 32 -9.697 -5.519 5.098
220 H GLN 33 H GLN 33 -4.556 -7.258 2.426
221 HA GLN 33 HA GLN 33 -3.468 -8.805 1.289
222 HB2 GLN 33 HB2 GLN 33 -4.982 -10.642 3.128
223 HB3 GLN 33 HB1 GLN 33 -3.620 -11.142 2.139
224 HG2 GLN 33 HG2 GLN 33 -2.181 -9.558 3.291
225 HG3 GLN 33 HG1 GLN 33 -3.547 -9.017 4.267
226 HE21 GLN 33 1HE2 GLN 33 -1.276 -11.567 3.686
227 HE22 GLN 33 2HE2 GLN 33 -1.606 -12.433 5.138
228 HA PRO 34 HA PRO 34 -6.426 -10.217 -1.821
229 HB2 PRO 34 HB2 PRO 34 -6.186 -8.281 -3.638
230 HB3 PRO 34 HB1 PRO 34 -7.163 -8.010 -2.192
231 HG2 PRO 34 HG2 PRO 34 -4.438 -7.008 -2.847
232 HG3 PRO 34 HG1 PRO 34 -5.737 -6.219 -1.939
233 HD2 PRO 34 HD2 PRO 34 -3.529 -7.622 -0.857
234 HD3 PRO 34 HD1 PRO 34 -4.953 -7.046 0.020
235 HA PRO 35 HA PRO 35 -3.211 -11.975 -4.482
236 HB2 PRO 35 HB2 PRO 35 -4.167 -11.408 -7.040
237 HB3 PRO 35 HB1 PRO 35 -4.635 -12.808 -6.073
238 HG2 PRO 35 HG2 PRO 35 -6.040 -10.206 -6.447
239 HG3 PRO 35 HG1 PRO 35 -6.720 -11.836 -6.347
240 HD2 PRO 35 HD2 PRO 35 -6.854 -10.164 -4.277
241 HD3 PRO 35 HD1 PRO 35 -6.554 -11.895 -4.033
242 HA PRO 36 HA PRO 36 -0.082 -8.991 -5.322
243 HB2 PRO 36 HB2 PRO 36 0.763 -9.830 -7.871
244 HB3 PRO 36 HB1 PRO 36 1.403 -10.394 -6.336
245 HG2 PRO 36 HG2 PRO 36 -0.663 -11.622 -8.086
246 HG3 PRO 36 HG1 PRO 36 0.588 -12.402 -7.102
247 HD2 PRO 36 HD2 PRO 36 -1.931 -12.416 -6.310
248 HD3 PRO 36 HD1 PRO 36 -0.632 -12.123 -5.127
249 H TRP 37 H TRP 37 -2.180 -9.545 -8.091
250 HA TRP 37 HA TRP 37 -1.409 -7.151 -9.409
251 HB2 TRP 37 HB2 TRP 37 -3.300 -7.654 -10.965
252 HB3 TRP 37 HB1 TRP 37 -2.112 -8.936 -10.797
253 HD1 TRP 37 HD TRP 37 -5.745 -8.079 -9.662
254 HE1 TRP 37 HE1 TRP 37 -6.990 -10.301 -9.322
255 HE3 TRP 37 3HE TRP 37 -1.871 -11.381 -10.344
256 HZ2 TRP 37 HZ2 TRP 37 -6.458 -13.028 -9.324
257 HZ3 TRP 37 HZ3 TRP 37 -2.361 -13.791 -10.148
258 HH2 TRP 37 HH TRP 37 -4.602 -14.583 -9.648
259 H GLU 38 H GLU 38 -3.499 -7.649 -6.827
260 HA GLU 38 HA GLU 38 -5.339 -5.557 -7.576
261 HB2 GLU 38 HB2 GLU 38 -5.155 -7.387 -5.223
262 HB3 GLU 38 HB1 GLU 38 -6.371 -6.119 -5.350
263 HG2 GLU 38 HG2 GLU 38 -5.966 -8.269 -7.399
264 HG3 GLU 38 HG1 GLU 38 -7.141 -8.397 -6.098
265 H CYS 39 H CYS 39 -2.348 -5.582 -6.193
266 HA CYS 39 HA CYS 39 -2.934 -3.237 -4.560
267 HB2 CYS 39 HB2 CYS 39 -0.379 -4.818 -4.838
268 HB3 CYS 39 HB1 CYS 39 -0.572 -3.386 -3.836
269 H TYR 40 H TYR 40 -2.134 -1.295 -4.989
270 HA TYR 40 HA TYR 40 -0.971 -0.847 -7.628
271 HB2 TYR 40 HB2 TYR 40 -1.935 1.162 -5.558
272 HB3 TYR 40 HB1 TYR 40 -1.570 1.476 -7.248
273 HD1 TYR 40 HD1 TYR 40 -3.154 0.812 -9.008
274 HD2 TYR 40 HD2 TYR 40 -4.031 0.181 -4.893
275 HE1 TYR 40 HE1 TYR 40 -5.510 0.440 -9.570
276 HE2 TYR 40 HE2 TYR 40 -6.381 -0.199 -5.442
277 HH TYR 40 HH TYR 40 -7.469 -0.751 -8.561
278 H GLN 41 H GLN 41 1.004 0.579 -7.569
279 HA GLN 41 HA GLN 41 2.359 0.217 -5.014
280 HB2 GLN 41 HB2 GLN 41 4.446 -0.280 -6.232
281 HB3 GLN 41 HB1 GLN 41 3.200 -1.488 -6.490
282 HG2 GLN 41 HG2 GLN 41 2.688 -0.406 -8.661
283 HG3 GLN 41 HG1 GLN 41 4.058 0.672 -8.394
284 HE21 GLN 41 1HE2 GLN 41 6.126 -0.187 -8.412
285 HE22 GLN 41 2HE2 GLN 41 6.489 -1.702 -9.151
286 H CYS 42 H CYS 42 3.735 1.805 -4.381
287 HA CYS 42 HA CYS 42 3.188 4.332 -5.595
288 HB2 CYS 42 HB2 CYS 42 4.831 3.559 -3.187
289 HB3 CYS 42 HB1 CYS 42 4.547 5.217 -3.705
Start of MODEL 11
1 H PCA 1 H PGL 1 -10.815 3.755 2.816
2 HA PCA 1 HA PGL 1 -10.103 5.846 1.634
3 HB2 PCA 1 HB1 PGL 1 -10.744 7.736 2.751
4 HB3 PCA 1 HB2 PGL 1 -9.514 7.387 3.998
5 HG2 PCA 1 HG1 PGL 1 -12.427 6.950 4.101
6 HG3 PCA 1 HG2 PGL 1 -11.214 6.884 5.426
7 H GLU 2 H GLU 2 -8.980 4.248 4.465
8 HA GLU 2 HA GLU 2 -6.252 5.113 4.201
9 HB2 GLU 2 HB2 GLU 2 -7.429 2.861 5.831
10 HB3 GLU 2 HB1 GLU 2 -5.784 3.461 5.955
11 HG2 GLU 2 HG2 GLU 2 -8.278 5.006 6.555
12 HG3 GLU 2 HG1 GLU 2 -7.200 4.296 7.756
13 H ALA 3 H ALA 3 -4.776 4.221 2.953
14 HA ALA 3 HA ALA 3 -5.442 1.853 1.432
15 HB1 ALA 3 HB1 ALA 3 -4.458 3.771 0.265
16 HB2 ALA 3 HB2 ALA 3 -3.394 2.369 0.190
17 HB3 ALA 3 HB3 ALA 3 -3.038 3.685 1.310
18 H PHE 4 H PHE 4 -4.595 -0.076 1.851
19 HA PHE 4 HA PHE 4 -3.098 -0.400 4.297
20 HB2 PHE 4 HB2 PHE 4 -4.068 -2.463 2.310
21 HB3 PHE 4 HB1 PHE 4 -3.457 -2.799 3.921
22 HD1 PHE 4 HD1 PHE 4 -6.316 -2.328 1.973
23 HD2 PHE 4 HD2 PHE 4 -4.807 -1.583 5.872
24 HE1 PHE 4 HE1 PHE 4 -8.616 -2.135 2.828
25 HE2 PHE 4 HE2 PHE 4 -7.090 -1.392 6.727
26 HZ PHE 4 HZ PHE 4 -9.008 -1.672 5.199
27 H CYS 5 H CYS 5 -0.975 -0.945 4.407
28 HA CYS 5 HA CYS 5 0.452 -0.764 1.863
29 HB2 CYS 5 HB2 CYS 5 1.351 -0.044 4.646
30 HB3 CYS 5 HB1 CYS 5 2.352 0.053 3.201
31 H TYR 6 H TYR 6 1.522 -2.385 1.178
32 HA TYR 6 HA TYR 6 2.380 -4.502 3.036
33 HB2 TYR 6 HB2 TYR 6 1.536 -4.905 0.167
34 HB3 TYR 6 HB1 TYR 6 1.930 -6.138 1.324
35 HD1 TYR 6 HD1 TYR 6 -0.653 -3.752 0.291
36 HD2 TYR 6 HD2 TYR 6 0.337 -6.845 3.026
37 HE1 TYR 6 HE1 TYR 6 -2.979 -3.889 0.954
38 HE2 TYR 6 HE2 TYR 6 -1.998 -6.995 3.710
39 HH TYR 6 HH TYR 6 -4.552 -5.263 2.046
40 H SER 7 H SER 7 4.438 -4.522 3.083
41 HA SER 7 HA SER 7 6.034 -3.351 0.952
42 HB2 SER 7 HB2 SER 7 6.708 -4.510 3.638
43 HB3 SER 7 HB1 SER 7 7.931 -3.811 2.552
44 HG SER 7 HG SER 7 6.443 -1.946 2.544
45 H ASP 8 H ASP 8 4.634 -5.476 0.177
46 HA ASP 8 HA ASP 8 6.610 -7.384 -0.698
47 HB2 ASP 8 HB2 ASP 8 5.746 -8.544 1.196
48 HB3 ASP 8 HB1 ASP 8 4.099 -8.032 0.842
49 H ARG 9 H ARG 9 6.147 -7.928 -2.796
50 HA ARG 9 HA ARG 9 4.088 -6.329 -4.022
51 HB2 ARG 9 HB2 ARG 9 6.151 -8.107 -5.274
52 HB3 ARG 9 HB1 ARG 9 5.054 -7.047 -6.148
53 HG2 ARG 9 HG2 ARG 9 6.022 -5.132 -4.838
54 HG3 ARG 9 HG1 ARG 9 7.255 -6.263 -4.275
55 HD2 ARG 9 HD2 ARG 9 6.635 -5.541 -7.105
56 HD3 ARG 9 HD1 ARG 9 8.047 -5.004 -6.188
57 HE ARG 9 HE ARG 9 7.668 -7.868 -6.487
58 HH11 ARG 9 HH11 ARG 9 9.410 -4.992 -7.600
59 HH12 ARG 9 HH12 ARG 9 10.638 -5.866 -8.383
60 HH21 ARG 9 HH21 ARG 9 9.330 -9.073 -7.594
61 HH22 ARG 9 HH22 ARG 9 10.575 -8.236 -8.403
62 H PHE 10 H PHE 10 3.950 -9.273 -2.619
63 HA PHE 10 HA PHE 10 2.071 -10.317 -4.580
64 HB2 PHE 10 HB2 PHE 10 3.293 -11.641 -2.148
65 HB3 PHE 10 HB1 PHE 10 2.211 -12.410 -3.298
66 HD1 PHE 10 HD1 PHE 10 5.584 -11.697 -2.457
67 HD2 PHE 10 HD2 PHE 10 3.017 -12.571 -5.726
68 HE1 PHE 10 HE1 PHE 10 7.523 -12.410 -3.786
69 HE2 PHE 10 HE2 PHE 10 4.955 -13.285 -7.056
70 HZ PHE 10 HZ PHE 10 7.200 -13.210 -6.090
71 H CYS 11 H CYS 11 2.131 -8.225 -2.180
72 HA CYS 11 HA CYS 11 0.538 -7.193 -0.904
73 HB2 CYS 11 HB2 CYS 11 -1.353 -9.252 -2.051
74 HB3 CYS 11 HB1 CYS 11 -1.801 -7.797 -1.175
75 H GLN 12 H GLN 12 2.047 -9.712 -0.042
76 HA GLN 12 HA GLN 12 0.121 -10.812 1.848
77 HB2 GLN 12 HB2 GLN 12 2.848 -11.765 1.031
78 HB3 GLN 12 HB1 GLN 12 1.817 -12.566 2.210
79 HG2 GLN 12 HG2 GLN 12 0.150 -13.004 0.537
80 HG3 GLN 12 HG1 GLN 12 1.033 -12.051 -0.647
81 HE21 GLN 12 1HE2 GLN 12 2.606 -14.262 1.584
82 HE22 GLN 12 2HE2 GLN 12 3.072 -15.385 0.371
83 H ASN 13 H ASN 13 2.562 -8.445 1.944
84 HA ASN 13 HA ASN 13 2.966 -9.138 4.777
85 HB2 ASN 13 HB2 ASN 13 4.972 -7.771 2.971
86 HB3 ASN 13 HB1 ASN 13 5.134 -7.824 4.714
87 HD21 ASN 13 HD21 ASN 13 7.042 -8.978 4.620
88 HD22 ASN 13 HD22 ASN 13 7.131 -10.630 4.179
89 H TYR 14 H TYR 14 1.411 -8.050 5.693
90 HA TYR 14 HA TYR 14 0.787 -5.336 4.998
91 HB2 TYR 14 HB2 TYR 14 -0.950 -6.969 5.618
92 HB3 TYR 14 HB1 TYR 14 -0.214 -7.149 7.196
93 HD1 TYR 14 HD1 TYR 14 -0.594 -5.500 8.936
94 HD2 TYR 14 HD2 TYR 14 -2.205 -4.950 5.041
95 HE1 TYR 14 HE1 TYR 14 -2.086 -3.766 9.807
96 HE2 TYR 14 HE2 TYR 14 -3.678 -3.217 5.885
97 HH TYR 14 HH TYR 14 -4.742 -2.676 8.193
98 H ILE 15 H ILE 15 2.013 -3.720 5.760
99 HA ILE 15 HA ILE 15 3.384 -4.110 8.319
100 HB ILE 15 HB ILE 15 4.722 -2.106 7.781
101 HG12 ILE 15 HG12 ILE 15 3.292 -2.119 5.105
102 HG13 ILE 15 HG11 ILE 15 2.971 -0.970 6.395
103 HG21 ILE 15 HG21 ILE 15 6.022 -3.072 5.929
104 HG22 ILE 15 HG22 ILE 15 4.696 -4.186 5.599
105 HG23 ILE 15 HG23 ILE 15 5.565 -4.281 7.130
106 HD11 ILE 15 HD11 ILE 15 5.575 -1.295 4.922
107 HD12 ILE 15 HD12 ILE 15 5.257 -0.131 6.209
108 HD13 ILE 15 HD13 ILE 15 4.392 -0.011 4.676
109 H GLY 16 H GLY 16 0.800 -2.416 6.870
110 HA2 GLY 16 HA2 GLY 16 -0.527 -1.618 9.011
111 HA3 GLY 16 HA1 GLY 16 0.659 -0.323 8.829
112 H SER 17 H SER 17 -1.066 1.150 8.303
113 HA SER 17 HA SER 17 -1.694 1.052 5.497
114 HB2 SER 17 HB2 SER 17 -4.123 1.477 5.964
115 HB3 SER 17 HB1 SER 17 -3.567 -0.140 6.402
116 HG SER 17 HG SER 17 -3.770 2.034 8.196
117 H ILE 18 H ILE 18 -1.531 3.035 4.680
118 HA ILE 18 HA ILE 18 -2.178 5.357 6.212
119 HB ILE 18 HB ILE 18 0.007 6.505 5.655
120 HG12 ILE 18 HG12 ILE 18 0.990 3.704 5.092
121 HG13 ILE 18 HG11 ILE 18 0.735 4.973 3.901
122 HG21 ILE 18 HG21 ILE 18 -0.334 5.769 7.936
123 HG22 ILE 18 HG22 ILE 18 1.354 5.544 7.476
124 HG23 ILE 18 HG23 ILE 18 0.265 4.163 7.527
125 HD11 ILE 18 HD11 ILE 18 2.719 5.071 6.161
126 HD12 ILE 18 HD12 ILE 18 2.491 6.298 4.918
127 HD13 ILE 18 HD13 ILE 18 3.100 4.700 4.480
128 HA PRO 19 HA PRO 19 -3.535 6.398 2.072
129 HB2 PRO 19 HB2 PRO 19 -3.200 9.222 2.917
130 HB3 PRO 19 HB1 PRO 19 -4.642 8.402 2.311
131 HG2 PRO 19 HG2 PRO 19 -4.433 9.055 4.887
132 HG3 PRO 19 HG1 PRO 19 -5.184 7.530 4.386
133 HD2 PRO 19 HD2 PRO 19 -2.444 8.016 5.489
134 HD3 PRO 19 HD1 PRO 19 -3.604 6.707 5.827
135 H ASP 20 H ASP 20 -0.945 8.143 3.604
136 HA ASP 20 HA ASP 20 0.362 8.951 1.161
137 HB2 ASP 20 HB2 ASP 20 1.977 9.984 2.788
138 HB3 ASP 20 HB1 ASP 20 0.317 10.503 3.011
139 H CYS 21 H CYS 21 0.148 6.347 1.121
140 HA CYS 21 HA CYS 21 2.109 4.790 2.492
141 HB2 CYS 21 HB2 CYS 21 -0.145 4.013 1.667
142 HB3 CYS 21 HB1 CYS 21 0.541 3.994 0.049
143 H CYS 22 H CYS 22 2.109 6.394 -0.637
144 HA CYS 22 HA CYS 22 4.169 4.718 -1.640
145 HB2 CYS 22 HB2 CYS 22 2.920 7.185 -2.795
146 HB3 CYS 22 HB1 CYS 22 4.245 6.329 -3.583
147 H PHE 23 H PHE 23 4.478 7.011 0.608
148 HA PHE 23 HA PHE 23 7.056 7.933 -0.311
149 HB2 PHE 23 HB2 PHE 23 5.699 8.219 2.382
150 HB3 PHE 23 HB1 PHE 23 7.250 8.942 1.974
151 HD1 PHE 23 HD1 PHE 23 7.348 10.684 0.189
152 HD2 PHE 23 HD2 PHE 23 3.671 9.243 1.754
153 HE1 PHE 23 HE1 PHE 23 6.200 12.664 -0.707
154 HE2 PHE 23 HE2 PHE 23 2.510 11.225 0.857
155 HZ PHE 23 HZ PHE 23 3.773 12.934 -0.372
156 H GLY 24 H GLY 24 5.769 5.190 1.102
157 HA2 GLY 24 HA2 GLY 24 8.395 4.322 2.076
158 HA3 GLY 24 HA1 GLY 24 6.850 3.653 2.607
159 H ARG 25 H ARG 25 9.022 2.185 1.454
160 HA ARG 25 HA ARG 25 8.251 1.574 -1.237
161 HB2 ARG 25 HB2 ARG 25 10.239 0.192 0.584
162 HB3 ARG 25 HB1 ARG 25 9.983 -0.204 -1.109
163 HG2 ARG 25 HG2 ARG 25 10.954 2.451 -0.064
164 HG3 ARG 25 HG1 ARG 25 11.957 1.208 -0.814
165 HD2 ARG 25 HD2 ARG 25 10.766 1.437 -2.898
166 HD3 ARG 25 HD1 ARG 25 9.611 2.531 -2.162
167 HE ARG 25 HE ARG 25 12.084 3.693 -1.854
168 HH11 ARG 25 HH11 ARG 25 10.158 2.582 -4.614
169 HH12 ARG 25 HH12 ARG 25 10.527 3.925 -5.584
170 HH21 ARG 25 HH21 ARG 25 12.608 5.527 -3.240
171 HH22 ARG 25 HH22 ARG 25 11.900 5.621 -4.799
172 H GLY 26 H GLY 26 6.821 0.172 -1.934
173 HA2 GLY 26 HA2 GLY 26 6.274 -2.312 -1.146
174 HA3 GLY 26 HA1 GLY 26 5.366 -1.357 0.018
175 H SER 27 H SER 27 3.531 -2.373 -0.846
176 HA SER 27 HA SER 27 2.507 -1.208 -3.341
177 HB2 SER 27 HB2 SER 27 1.711 -3.878 -2.170
178 HB3 SER 27 HB1 SER 27 1.458 -3.274 -3.806
179 HG SER 27 HG SER 27 3.524 -4.625 -2.746
180 H TYR 28 H TYR 28 0.274 -0.594 -3.108
181 HA TYR 28 HA TYR 28 -0.810 -0.896 -0.406
182 HB2 TYR 28 HB2 TYR 28 -1.723 1.345 -0.403
183 HB3 TYR 28 HB1 TYR 28 -0.004 1.452 -0.723
184 HD1 TYR 28 HD1 TYR 28 0.781 2.036 -3.016
185 HD2 TYR 28 HD2 TYR 28 -3.348 2.120 -1.996
186 HE1 TYR 28 HE1 TYR 28 0.327 3.379 -4.991
187 HE2 TYR 28 HE2 TYR 28 -3.817 3.464 -3.976
188 HH TYR 28 HH TYR 28 -1.555 3.850 -6.475
189 H SER 29 H SER 29 -3.017 -1.159 -0.266
190 HA SER 29 HA SER 29 -4.556 -1.182 -2.713
191 HB2 SER 29 HB2 SER 29 -5.366 -3.482 -2.299
192 HB3 SER 29 HB1 SER 29 -3.628 -3.458 -2.587
193 HG SER 29 HG SER 29 -4.652 -4.642 -0.656
194 H PHE 30 H PHE 30 -6.900 -1.762 -2.076
195 HA PHE 30 HA PHE 30 -7.425 -0.456 0.482
196 HB2 PHE 30 HB2 PHE 30 -9.118 -0.547 -2.027
197 HB3 PHE 30 HB1 PHE 30 -9.604 0.211 -0.513
198 HD1 PHE 30 HD1 PHE 30 -7.773 0.609 -3.585
199 HD2 PHE 30 HD2 PHE 30 -8.257 2.159 0.348
200 HE1 PHE 30 HE1 PHE 30 -6.644 2.686 -4.267
201 HE2 PHE 30 HE2 PHE 30 -7.137 4.240 -0.330
202 HZ PHE 30 HZ PHE 30 -6.327 4.504 -2.638
203 H GLU 31 H GLU 31 -6.926 -3.325 -0.228
204 HA GLU 31 HA GLU 31 -9.224 -4.400 1.217
205 HB2 GLU 31 HB2 GLU 31 -9.557 -4.880 -1.220
206 HB3 GLU 31 HB1 GLU 31 -8.013 -5.716 -1.238
207 HG2 GLU 31 HG2 GLU 31 -8.899 -7.334 0.394
208 HG3 GLU 31 HG1 GLU 31 -10.453 -6.509 0.336
209 H LEU 32 H LEU 32 -8.670 -6.151 2.565
210 HA LEU 32 HA LEU 32 -5.934 -6.234 3.387
211 HB2 LEU 32 HB2 LEU 32 -8.323 -7.826 4.297
212 HB3 LEU 32 HB1 LEU 32 -6.737 -7.930 5.032
213 HG LEU 32 HG LEU 32 -8.461 -5.450 4.957
214 HD11 LEU 32 HD11 LEU 32 -9.372 -7.172 6.409
215 HD12 LEU 32 HD12 LEU 32 -8.705 -5.834 7.353
216 HD13 LEU 32 HD13 LEU 32 -7.802 -7.344 7.198
217 HD21 LEU 32 HD21 LEU 32 -6.077 -4.915 4.965
218 HD22 LEU 32 HD22 LEU 32 -5.828 -6.000 6.332
219 HD23 LEU 32 HD23 LEU 32 -6.809 -4.548 6.524
220 H GLN 33 H GLN 33 -4.472 -7.274 2.451
221 HA GLN 33 HA GLN 33 -3.348 -8.600 1.058
222 HB2 GLN 33 HB2 GLN 33 -4.691 -10.668 2.783
223 HB3 GLN 33 HB1 GLN 33 -3.406 -11.047 1.650
224 HG2 GLN 33 HG2 GLN 33 -1.886 -9.567 2.859
225 HG3 GLN 33 HG1 GLN 33 -3.179 -9.155 3.985
226 HE21 GLN 33 1HE2 GLN 33 -0.556 -10.467 4.453
227 HE22 GLN 33 2HE2 GLN 33 -0.933 -11.951 5.220
228 HA PRO 34 HA PRO 34 -6.503 -9.751 -2.063
229 HB2 PRO 34 HB2 PRO 34 -5.984 -7.838 -3.878
230 HB3 PRO 34 HB1 PRO 34 -6.996 -7.487 -2.473
231 HG2 PRO 34 HG2 PRO 34 -4.110 -6.865 -2.928
232 HG3 PRO 34 HG1 PRO 34 -5.382 -5.835 -2.245
233 HD2 PRO 34 HD2 PRO 34 -3.573 -7.221 -0.721
234 HD3 PRO 34 HD1 PRO 34 -5.184 -6.756 -0.170
235 HA PRO 35 HA PRO 35 -3.375 -11.757 -4.611
236 HB2 PRO 35 HB2 PRO 35 -4.200 -11.285 -7.210
237 HB3 PRO 35 HB1 PRO 35 -4.846 -12.562 -6.180
238 HG2 PRO 35 HG2 PRO 35 -5.962 -9.867 -6.779
239 HG3 PRO 35 HG1 PRO 35 -6.805 -11.417 -6.618
240 HD2 PRO 35 HD2 PRO 35 -6.830 -9.593 -4.655
241 HD3 PRO 35 HD1 PRO 35 -6.781 -11.338 -4.321
242 HA PRO 36 HA PRO 36 -0.011 -8.971 -5.356
243 HB2 PRO 36 HB2 PRO 36 0.586 -10.042 -7.965
244 HB3 PRO 36 HB1 PRO 36 1.476 -10.267 -6.467
245 HG2 PRO 36 HG2 PRO 36 -0.502 -12.015 -7.754
246 HG3 PRO 36 HG1 PRO 36 0.701 -12.411 -6.519
247 HD2 PRO 36 HD2 PRO 36 -1.935 -12.354 -5.996
248 HD3 PRO 36 HD1 PRO 36 -0.731 -11.867 -4.782
249 H TRP 37 H TRP 37 -1.932 -9.496 -8.291
250 HA TRP 37 HA TRP 37 -1.084 -7.107 -9.568
251 HB2 TRP 37 HB2 TRP 37 -2.934 -7.628 -11.197
252 HB3 TRP 37 HB1 TRP 37 -1.722 -8.881 -10.982
253 HD1 TRP 37 HD TRP 37 -5.435 -8.131 -10.091
254 HE1 TRP 37 HE1 TRP 37 -6.601 -10.361 -9.662
255 HE3 TRP 37 3HE TRP 37 -1.377 -11.245 -10.271
256 HZ2 TRP 37 HZ2 TRP 37 -5.924 -13.084 -9.414
257 HZ3 TRP 37 HZ3 TRP 37 -1.730 -13.650 -9.912
258 HH2 TRP 37 HH TRP 37 -3.957 -14.547 -9.494
259 H GLU 38 H GLU 38 -3.418 -7.613 -7.174
260 HA GLU 38 HA GLU 38 -5.117 -5.462 -8.016
261 HB2 GLU 38 HB2 GLU 38 -5.134 -7.362 -5.729
262 HB3 GLU 38 HB1 GLU 38 -6.216 -5.969 -5.764
263 HG2 GLU 38 HG2 GLU 38 -6.020 -8.013 -7.943
264 HG3 GLU 38 HG1 GLU 38 -7.229 -8.094 -6.673
265 H CYS 39 H CYS 39 -2.363 -5.801 -6.005
266 HA CYS 39 HA CYS 39 -2.907 -3.368 -4.563
267 HB2 CYS 39 HB2 CYS 39 -0.380 -5.010 -4.761
268 HB3 CYS 39 HB1 CYS 39 -0.585 -3.586 -3.747
269 H TYR 40 H TYR 40 -2.088 -1.415 -4.954
270 HA TYR 40 HA TYR 40 -1.026 -0.974 -7.610
271 HB2 TYR 40 HB2 TYR 40 -1.755 1.010 -5.431
272 HB3 TYR 40 HB1 TYR 40 -1.463 1.370 -7.127
273 HD1 TYR 40 HD1 TYR 40 -3.875 0.145 -4.687
274 HD2 TYR 40 HD2 TYR 40 -3.140 0.767 -8.826
275 HE1 TYR 40 HE1 TYR 40 -6.269 -0.151 -5.147
276 HE2 TYR 40 HE2 TYR 40 -5.527 0.479 -9.298
277 HH TYR 40 HH TYR 40 -7.916 0.510 -6.930
278 H GLN 41 H GLN 41 1.108 -0.709 -7.855
279 HA GLN 41 HA GLN 41 2.696 -0.843 -5.427
280 HB2 GLN 41 HB2 GLN 41 3.509 -1.291 -8.300
281 HB3 GLN 41 HB1 GLN 41 4.554 -1.495 -6.900
282 HG2 GLN 41 HG2 GLN 41 3.054 -3.252 -6.055
283 HG3 GLN 41 HG1 GLN 41 2.068 -3.075 -7.501
284 HE21 GLN 41 1HE2 GLN 41 4.446 -2.693 -9.232
285 HE22 GLN 41 2HE2 GLN 41 5.156 -4.255 -9.349
286 H CYS 42 H CYS 42 3.929 0.743 -4.733
287 HA CYS 42 HA CYS 42 3.704 3.277 -6.024
288 HB2 CYS 42 HB2 CYS 42 5.199 2.437 -3.531
289 HB3 CYS 42 HB1 CYS 42 5.003 4.100 -4.078
Start of MODEL 12
1 H PCA 1 H PGL 1 -11.915 0.829 2.942
2 HA PCA 1 HA PGL 1 -12.330 3.097 1.930
3 HB2 PCA 1 HB1 PGL 1 -13.513 4.453 3.332
4 HB3 PCA 1 HB2 PGL 1 -12.055 4.615 4.351
5 HG2 PCA 1 HG1 PGL 1 -14.465 3.055 4.876
6 HG3 PCA 1 HG2 PGL 1 -13.031 3.305 5.931
7 H GLU 2 H GLU 2 -10.249 1.917 4.384
8 HA GLU 2 HA GLU 2 -8.195 3.895 3.991
9 HB2 GLU 2 HB2 GLU 2 -8.280 1.367 5.627
10 HB3 GLU 2 HB1 GLU 2 -6.927 2.487 5.600
11 HG2 GLU 2 HG2 GLU 2 -9.726 3.127 6.504
12 HG3 GLU 2 HG1 GLU 2 -8.332 2.841 7.549
13 H ALA 3 H ALA 3 -6.172 3.503 3.131
14 HA ALA 3 HA ALA 3 -6.023 1.267 1.260
15 HB1 ALA 3 HB1 ALA 3 -4.278 3.726 1.548
16 HB2 ALA 3 HB2 ALA 3 -5.553 3.505 0.351
17 HB3 ALA 3 HB3 ALA 3 -4.109 2.494 0.299
18 H PHE 4 H PHE 4 -4.923 -0.441 1.843
19 HA PHE 4 HA PHE 4 -3.402 -0.372 4.316
20 HB2 PHE 4 HB2 PHE 4 -4.138 -2.751 2.610
21 HB3 PHE 4 HB1 PHE 4 -3.635 -2.765 4.295
22 HD1 PHE 4 HD1 PHE 4 -5.228 -1.267 5.885
23 HD2 PHE 4 HD2 PHE 4 -6.350 -2.982 2.159
24 HE1 PHE 4 HE1 PHE 4 -7.597 -1.147 6.539
25 HE2 PHE 4 HE2 PHE 4 -8.714 -2.858 2.813
26 HZ PHE 4 HZ PHE 4 -9.338 -1.941 4.999
27 H CYS 5 H CYS 5 -1.249 -0.497 4.336
28 HA CYS 5 HA CYS 5 0.100 -0.634 1.763
29 HB2 CYS 5 HB2 CYS 5 1.132 0.291 4.445
30 HB3 CYS 5 HB1 CYS 5 1.960 0.436 2.900
31 H TYR 6 H TYR 6 1.374 -2.222 1.284
32 HA TYR 6 HA TYR 6 2.212 -4.172 3.331
33 HB2 TYR 6 HB2 TYR 6 1.684 -4.710 0.374
34 HB3 TYR 6 HB1 TYR 6 2.094 -5.886 1.613
35 HD1 TYR 6 HD1 TYR 6 -0.541 -3.762 0.243
36 HD2 TYR 6 HD2 TYR 6 0.402 -6.692 3.168
37 HE1 TYR 6 HE1 TYR 6 -2.905 -4.110 0.645
38 HE2 TYR 6 HE2 TYR 6 -1.978 -7.048 3.586
39 HH TYR 6 HH TYR 6 -4.414 -5.617 1.543
40 H SER 7 H SER 7 4.320 -4.769 3.282
41 HA SER 7 HA SER 7 6.103 -2.853 2.141
42 HB2 SER 7 HB2 SER 7 7.800 -4.312 3.266
43 HB3 SER 7 HB1 SER 7 6.476 -3.740 4.301
44 HG SER 7 HG SER 7 6.703 -6.321 3.106
45 H ASP 8 H ASP 8 4.770 -5.778 1.119
46 HA ASP 8 HA ASP 8 6.911 -6.155 -0.842
47 HB2 ASP 8 HB2 ASP 8 5.238 -8.252 0.525
48 HB3 ASP 8 HB1 ASP 8 6.295 -8.576 -0.846
49 H ARG 9 H ARG 9 6.338 -6.833 -2.870
50 HA ARG 9 HA ARG 9 3.936 -5.678 -3.850
51 HB2 ARG 9 HB2 ARG 9 6.075 -7.287 -5.195
52 HB3 ARG 9 HB1 ARG 9 4.742 -6.509 -6.040
53 HG2 ARG 9 HG2 ARG 9 5.471 -4.334 -5.186
54 HG3 ARG 9 HG1 ARG 9 6.828 -5.125 -4.376
55 HD2 ARG 9 HD2 ARG 9 7.641 -5.897 -6.490
56 HD3 ARG 9 HD1 ARG 9 6.264 -5.130 -7.300
57 HE ARG 9 HE ARG 9 7.655 -3.229 -5.763
58 HH11 ARG 9 HH11 ARG 9 8.153 -5.102 -8.728
59 HH12 ARG 9 HH12 ARG 9 9.051 -3.874 -9.509
60 HH21 ARG 9 HH21 ARG 9 8.935 -1.583 -6.824
61 HH22 ARG 9 HH22 ARG 9 9.567 -1.858 -8.377
62 H PHE 10 H PHE 10 4.591 -8.649 -2.531
63 HA PHE 10 HA PHE 10 2.716 -10.096 -4.163
64 HB2 PHE 10 HB2 PHE 10 4.305 -10.982 -1.758
65 HB3 PHE 10 HB1 PHE 10 3.243 -12.028 -2.698
66 HD1 PHE 10 HD1 PHE 10 6.545 -11.132 -2.246
67 HD2 PHE 10 HD2 PHE 10 3.727 -11.817 -5.361
68 HE1 PHE 10 HE1 PHE 10 8.386 -11.570 -3.820
69 HE2 PHE 10 HE2 PHE 10 5.563 -12.261 -6.931
70 HZ PHE 10 HZ PHE 10 7.896 -12.137 -6.160
71 H CYS 11 H CYS 11 2.307 -7.916 -1.812
72 HA CYS 11 HA CYS 11 0.402 -7.150 -0.812
73 HB2 CYS 11 HB2 CYS 11 -0.889 -9.453 -2.250
74 HB3 CYS 11 HB1 CYS 11 -1.746 -8.158 -1.432
75 H GLN 12 H GLN 12 1.929 -9.762 0.369
76 HA GLN 12 HA GLN 12 -0.267 -10.277 2.221
77 HB2 GLN 12 HB2 GLN 12 1.932 -12.165 1.394
78 HB3 GLN 12 HB1 GLN 12 0.783 -12.491 2.686
79 HG2 GLN 12 HG2 GLN 12 -1.048 -12.283 1.040
80 HG3 GLN 12 HG1 GLN 12 0.159 -12.079 -0.226
81 HE21 GLN 12 1HE2 GLN 12 1.410 -13.851 -0.829
82 HE22 GLN 12 2HE2 GLN 12 0.964 -15.460 -0.433
83 H ASN 13 H ASN 13 2.118 -8.302 2.260
84 HA ASN 13 HA ASN 13 2.683 -8.951 5.046
85 HB2 ASN 13 HB2 ASN 13 4.694 -7.953 3.051
86 HB3 ASN 13 HB1 ASN 13 4.902 -7.626 4.765
87 HD21 ASN 13 HD21 ASN 13 6.559 -9.174 3.028
88 HD22 ASN 13 HD22 ASN 13 6.612 -10.783 3.661
89 H TYR 14 H TYR 14 0.996 -7.807 5.648
90 HA TYR 14 HA TYR 14 0.528 -5.098 5.023
91 HB2 TYR 14 HB2 TYR 14 -1.244 -6.591 5.741
92 HB3 TYR 14 HB1 TYR 14 -0.430 -6.887 7.263
93 HD1 TYR 14 HD1 TYR 14 -2.318 -4.375 5.303
94 HD2 TYR 14 HD2 TYR 14 -0.761 -5.449 9.114
95 HE1 TYR 14 HE1 TYR 14 -3.663 -2.615 6.352
96 HE2 TYR 14 HE2 TYR 14 -2.095 -3.701 10.167
97 HH TYR 14 HH TYR 14 -4.623 -2.149 8.649
98 H ILE 15 H ILE 15 1.568 -3.357 5.784
99 HA ILE 15 HA ILE 15 2.993 -3.616 8.347
100 HB ILE 15 HB ILE 15 4.383 -1.682 7.662
101 HG12 ILE 15 HG12 ILE 15 3.014 -1.979 4.968
102 HG13 ILE 15 HG11 ILE 15 2.785 -0.640 6.083
103 HG21 ILE 15 HG21 ILE 15 5.764 -2.858 6.039
104 HG22 ILE 15 HG22 ILE 15 4.438 -3.981 5.722
105 HG23 ILE 15 HG23 ILE 15 5.195 -3.934 7.316
106 HD11 ILE 15 HD11 ILE 15 5.130 -0.006 5.793
107 HD12 ILE 15 HD12 ILE 15 4.270 -0.036 4.254
108 HD13 ILE 15 HD13 ILE 15 5.356 -1.358 4.683
109 H GLY 16 H GLY 16 0.241 -2.503 7.088
110 HA2 GLY 16 HA2 GLY 16 -1.245 -1.459 8.718
111 HA3 GLY 16 HA1 GLY 16 0.088 -0.366 9.089
112 H SER 17 H SER 17 -1.392 1.329 8.606
113 HA SER 17 HA SER 17 -1.343 1.909 5.767
114 HB2 SER 17 HB2 SER 17 -3.543 3.212 6.231
115 HB3 SER 17 HB1 SER 17 -3.653 1.459 6.094
116 HG SER 17 HG SER 17 -3.324 2.759 8.590
117 H ILE 18 H ILE 18 -0.507 3.883 5.306
118 HA ILE 18 HA ILE 18 -0.065 5.781 7.441
119 HB ILE 18 HB ILE 18 2.394 5.920 6.805
120 HG12 ILE 18 HG12 ILE 18 1.835 3.176 5.644
121 HG13 ILE 18 HG11 ILE 18 2.324 4.611 4.754
122 HG21 ILE 18 HG21 ILE 18 3.111 4.135 8.332
123 HG22 ILE 18 HG22 ILE 18 1.484 3.456 8.271
124 HG23 ILE 18 HG23 ILE 18 1.744 5.058 8.957
125 HD11 ILE 18 HD11 ILE 18 3.972 3.143 6.796
126 HD12 ILE 18 HD12 ILE 18 4.485 4.574 5.898
127 HD13 ILE 18 HD13 ILE 18 4.173 3.058 5.046
128 HA PRO 19 HA PRO 19 -0.642 8.546 4.056
129 HB2 PRO 19 HB2 PRO 19 0.708 10.750 4.936
130 HB3 PRO 19 HB1 PRO 19 -0.863 10.260 5.577
131 HG2 PRO 19 HG2 PRO 19 1.867 9.816 6.714
132 HG3 PRO 19 HG1 PRO 19 0.370 10.272 7.546
133 HD2 PRO 19 HD2 PRO 19 1.341 7.741 7.550
134 HD3 PRO 19 HD1 PRO 19 -0.395 8.095 7.619
135 H ASP 20 H ASP 20 2.561 7.792 5.150
136 HA ASP 20 HA ASP 20 3.808 8.836 2.732
137 HB2 ASP 20 HB2 ASP 20 5.917 8.420 3.906
138 HB3 ASP 20 HB1 ASP 20 4.833 9.359 4.924
139 H CYS 21 H CYS 21 2.038 6.565 2.728
140 HA CYS 21 HA CYS 21 3.034 4.016 2.853
141 HB2 CYS 21 HB2 CYS 21 0.674 4.804 2.372
142 HB3 CYS 21 HB1 CYS 21 1.165 4.973 0.693
143 H CYS 22 H CYS 22 3.269 6.229 0.046
144 HA CYS 22 HA CYS 22 4.720 4.193 -1.408
145 HB2 CYS 22 HB2 CYS 22 3.747 6.913 -2.221
146 HB3 CYS 22 HB1 CYS 22 4.673 5.861 -3.287
147 H PHE 23 H PHE 23 5.744 6.157 0.899
148 HA PHE 23 HA PHE 23 8.161 6.919 -0.498
149 HB2 PHE 23 HB2 PHE 23 7.224 7.535 2.316
150 HB3 PHE 23 HB1 PHE 23 8.799 8.001 1.685
151 HD1 PHE 23 HD1 PHE 23 9.055 9.930 0.363
152 HD2 PHE 23 HD2 PHE 23 5.159 8.481 1.234
153 HE1 PHE 23 HE1 PHE 23 8.085 11.995 -0.562
154 HE2 PHE 23 HE2 PHE 23 4.173 10.542 0.318
155 HZ PHE 23 HZ PHE 23 5.639 12.304 -0.584
156 H GLY 24 H GLY 24 8.655 4.814 -0.921
157 HA2 GLY 24 HA2 GLY 24 10.658 3.516 -0.009
158 HA3 GLY 24 HA1 GLY 24 9.530 3.135 1.300
159 H ARG 25 H ARG 25 10.115 0.911 0.234
160 HA ARG 25 HA ARG 25 8.538 0.382 -2.107
161 HB2 ARG 25 HB2 ARG 25 9.071 -2.026 -1.687
162 HB3 ARG 25 HB1 ARG 25 10.482 -0.999 -1.841
163 HG2 ARG 25 HG2 ARG 25 10.807 -1.032 0.561
164 HG3 ARG 25 HG1 ARG 25 9.318 -1.955 0.764
165 HD2 ARG 25 HD2 ARG 25 11.356 -3.354 0.873
166 HD3 ARG 25 HD1 ARG 25 10.262 -3.824 -0.426
167 HE ARG 25 HE ARG 25 12.044 -2.049 -1.537
168 HH11 ARG 25 HH11 ARG 25 12.353 -5.158 0.116
169 HH12 ARG 25 HH12 ARG 25 13.671 -5.668 -0.854
170 HH21 ARG 25 HH21 ARG 25 13.779 -2.748 -2.830
171 HH22 ARG 25 HH22 ARG 25 14.519 -4.267 -2.559
172 H GLY 26 H GLY 26 6.414 0.148 -2.136
173 HA2 GLY 26 HA2 GLY 26 5.110 -1.179 0.037
174 HA3 GLY 26 HA1 GLY 26 4.767 0.540 -0.089
175 H SER 27 H SER 27 3.275 -1.997 -0.535
176 HA SER 27 HA SER 27 2.120 -1.264 -3.144
177 HB2 SER 27 HB2 SER 27 1.772 -3.868 -1.635
178 HB3 SER 27 HB1 SER 27 1.380 -3.535 -3.321
179 HG SER 27 HG SER 27 3.582 -4.502 -2.324
180 H TYR 28 H TYR 28 -0.001 -0.587 -2.970
181 HA TYR 28 HA TYR 28 -1.213 -0.956 -0.341
182 HB2 TYR 28 HB2 TYR 28 -2.183 1.282 -0.372
183 HB3 TYR 28 HB1 TYR 28 -0.439 1.366 -0.487
184 HD1 TYR 28 HD1 TYR 28 -3.599 2.161 -2.063
185 HD2 TYR 28 HD2 TYR 28 0.627 2.058 -2.716
186 HE1 TYR 28 HE1 TYR 28 -3.846 3.636 -3.988
187 HE2 TYR 28 HE2 TYR 28 0.370 3.517 -4.618
188 HH TYR 28 HH TYR 28 -1.394 4.159 -6.252
189 H SER 29 H SER 29 -3.228 -1.604 -0.254
190 HA SER 29 HA SER 29 -4.805 -1.503 -2.700
191 HB2 SER 29 HB2 SER 29 -5.574 -3.832 -2.260
192 HB3 SER 29 HB1 SER 29 -3.850 -3.752 -2.629
193 HG SER 29 HG SER 29 -5.104 -4.585 -0.349
194 H PHE 30 H PHE 30 -7.124 -1.890 -2.188
195 HA PHE 30 HA PHE 30 -7.678 -0.748 0.430
196 HB2 PHE 30 HB2 PHE 30 -9.385 -0.904 -2.055
197 HB3 PHE 30 HB1 PHE 30 -9.928 -0.217 -0.528
198 HD1 PHE 30 HD1 PHE 30 -7.905 0.292 -3.499
199 HD2 PHE 30 HD2 PHE 30 -8.929 1.875 0.312
200 HE1 PHE 30 HE1 PHE 30 -6.926 2.466 -4.141
201 HE2 PHE 30 HE2 PHE 30 -7.962 4.042 -0.324
202 HZ PHE 30 HZ PHE 30 -6.960 4.341 -2.546
203 H GLU 31 H GLU 31 -7.247 -3.641 -0.605
204 HA GLU 31 HA GLU 31 -9.362 -4.777 1.083
205 HB2 GLU 31 HB2 GLU 31 -8.254 -6.005 -1.458
206 HB3 GLU 31 HB1 GLU 31 -9.384 -6.791 -0.367
207 HG2 GLU 31 HG2 GLU 31 -11.034 -5.030 -0.835
208 HG3 GLU 31 HG1 GLU 31 -9.902 -4.290 -1.956
209 H LEU 32 H LEU 32 -8.727 -6.612 2.304
210 HA LEU 32 HA LEU 32 -5.956 -6.522 3.065
211 HB2 LEU 32 HB2 LEU 32 -8.278 -8.092 4.173
212 HB3 LEU 32 HB1 LEU 32 -6.646 -8.291 4.762
213 HG LEU 32 HG LEU 32 -7.792 -6.933 6.303
214 HD11 LEU 32 HD11 LEU 32 -6.544 -4.859 6.316
215 HD12 LEU 32 HD12 LEU 32 -6.072 -5.123 4.644
216 HD13 LEU 32 HD13 LEU 32 -5.524 -6.236 5.899
217 HD21 LEU 32 HD21 LEU 32 -9.671 -6.216 4.953
218 HD22 LEU 32 HD22 LEU 32 -8.613 -5.162 4.012
219 HD23 LEU 32 HD23 LEU 32 -8.903 -4.820 5.717
220 H GLN 33 H GLN 33 -4.509 -7.549 2.159
221 HA GLN 33 HA GLN 33 -3.355 -8.905 0.827
222 HB2 GLN 33 HB2 GLN 33 -4.770 -11.027 2.413
223 HB3 GLN 33 HB1 GLN 33 -3.329 -11.284 1.446
224 HG2 GLN 33 HG2 GLN 33 -2.133 -9.668 2.894
225 HG3 GLN 33 HG1 GLN 33 -3.581 -9.551 3.888
226 HE21 GLN 33 1HE2 GLN 33 -4.251 -12.367 3.606
227 HE22 GLN 33 2HE2 GLN 33 -3.113 -13.240 4.554
228 HA PRO 34 HA PRO 34 -6.374 -10.142 -2.350
229 HB2 PRO 34 HB2 PRO 34 -6.058 -8.118 -4.076
230 HB3 PRO 34 HB1 PRO 34 -7.061 -7.897 -2.638
231 HG2 PRO 34 HG2 PRO 34 -4.272 -6.983 -3.165
232 HG3 PRO 34 HG1 PRO 34 -5.591 -6.142 -2.333
233 HD2 PRO 34 HD2 PRO 34 -3.528 -7.533 -1.082
234 HD3 PRO 34 HD1 PRO 34 -5.065 -7.085 -0.338
235 HA PRO 35 HA PRO 35 -3.067 -11.761 -4.964
236 HB2 PRO 35 HB2 PRO 35 -3.920 -11.218 -7.541
237 HB3 PRO 35 HB1 PRO 35 -4.466 -12.598 -6.587
238 HG2 PRO 35 HG2 PRO 35 -5.794 -9.967 -7.046
239 HG3 PRO 35 HG1 PRO 35 -6.507 -11.589 -6.975
240 HD2 PRO 35 HD2 PRO 35 -6.691 -9.881 -4.920
241 HD3 PRO 35 HD1 PRO 35 -6.502 -11.625 -4.668
242 HA PRO 36 HA PRO 36 -0.095 -8.605 -5.480
243 HB2 PRO 36 HB2 PRO 36 1.164 -9.406 -7.859
244 HB3 PRO 36 HB1 PRO 36 1.580 -9.918 -6.225
245 HG2 PRO 36 HG2 PRO 36 -0.121 -11.292 -8.259
246 HG3 PRO 36 HG1 PRO 36 1.015 -11.989 -7.091
247 HD2 PRO 36 HD2 PRO 36 -1.606 -12.138 -6.678
248 HD3 PRO 36 HD1 PRO 36 -0.501 -11.804 -5.326
249 H TRP 37 H TRP 37 -1.849 -9.247 -8.479
250 HA TRP 37 HA TRP 37 -1.123 -6.774 -9.704
251 HB2 TRP 37 HB2 TRP 37 -2.877 -7.340 -11.399
252 HB3 TRP 37 HB1 TRP 37 -1.663 -8.588 -11.162
253 HD1 TRP 37 HD TRP 37 -5.404 -7.876 -10.356
254 HE1 TRP 37 HE1 TRP 37 -6.571 -10.126 -9.998
255 HE3 TRP 37 3HE TRP 37 -1.331 -10.968 -10.563
256 HZ2 TRP 37 HZ2 TRP 37 -5.892 -12.830 -9.836
257 HZ3 TRP 37 HZ3 TRP 37 -1.696 -13.382 -10.293
258 HH2 TRP 37 HH TRP 37 -3.941 -14.284 -9.935
259 H GLU 38 H GLU 38 -3.352 -7.449 -7.284
260 HA GLU 38 HA GLU 38 -5.155 -5.316 -8.067
261 HB2 GLU 38 HB2 GLU 38 -5.217 -7.353 -5.870
262 HB3 GLU 38 HB1 GLU 38 -6.385 -6.040 -5.982
263 HG2 GLU 38 HG2 GLU 38 -5.879 -8.037 -8.161
264 HG3 GLU 38 HG1 GLU 38 -7.164 -8.207 -6.972
265 H CYS 39 H CYS 39 -2.354 -5.671 -6.267
266 HA CYS 39 HA CYS 39 -2.984 -3.460 -4.492
267 HB2 CYS 39 HB2 CYS 39 -0.438 -5.054 -4.833
268 HB3 CYS 39 HB1 CYS 39 -0.674 -3.754 -3.672
269 H TYR 40 H TYR 40 -2.325 -1.443 -4.827
270 HA TYR 40 HA TYR 40 -1.240 -0.825 -7.396
271 HB2 TYR 40 HB2 TYR 40 -1.922 0.959 -5.051
272 HB3 TYR 40 HB1 TYR 40 -1.526 1.502 -6.674
273 HD1 TYR 40 HD1 TYR 40 -3.114 1.087 -8.529
274 HD2 TYR 40 HD2 TYR 40 -4.109 0.185 -4.500
275 HE1 TYR 40 HE1 TYR 40 -5.458 0.991 -9.147
276 HE2 TYR 40 HE2 TYR 40 -6.485 0.081 -5.099
277 HH TYR 40 HH TYR 40 -7.527 0.024 -8.357
278 H GLN 41 H GLN 41 0.820 -0.787 -7.740
279 HA GLN 41 HA GLN 41 2.710 -1.120 -5.666
280 HB2 GLN 41 HB2 GLN 41 2.785 -2.374 -7.703
281 HB3 GLN 41 HB1 GLN 41 2.789 -0.901 -8.654
282 HG2 GLN 41 HG2 GLN 41 4.923 -0.326 -7.717
283 HG3 GLN 41 HG1 GLN 41 4.942 -1.867 -6.834
284 HE21 GLN 41 1HE2 GLN 41 5.098 -0.361 -9.946
285 HE22 GLN 41 2HE2 GLN 41 5.652 -1.743 -10.822
286 H CYS 42 H CYS 42 3.673 0.585 -4.665
287 HA CYS 42 HA CYS 42 3.591 3.171 -5.833
288 HB2 CYS 42 HB2 CYS 42 5.018 2.141 -3.362
289 HB3 CYS 42 HB1 CYS 42 4.940 3.831 -3.834
Start of MODEL 13
1 H PCA 1 H PGL 1 -9.230 6.629 2.137
2 HA PCA 1 HA PGL 1 -8.713 8.441 3.805
3 HB2 PCA 1 HB1 PGL 1 -10.016 8.332 5.671
4 HB3 PCA 1 HB2 PGL 1 -9.184 6.823 6.138
5 HG2 PCA 1 HG1 PGL 1 -11.867 7.135 5.057
6 HG3 PCA 1 HG2 PGL 1 -11.032 5.630 5.575
7 H GLU 2 H GLU 2 -8.192 5.034 3.608
8 HA GLU 2 HA GLU 2 -5.415 5.405 4.497
9 HB2 GLU 2 HB2 GLU 2 -7.136 3.051 5.237
10 HB3 GLU 2 HB1 GLU 2 -5.459 3.337 5.657
11 HG2 GLU 2 HG2 GLU 2 -6.079 5.147 7.100
12 HG3 GLU 2 HG1 GLU 2 -7.770 4.996 6.604
13 H ALA 3 H ALA 3 -4.002 4.396 3.181
14 HA ALA 3 HA ALA 3 -4.984 2.409 1.294
15 HB1 ALA 3 HB1 ALA 3 -3.758 4.300 0.304
16 HB2 ALA 3 HB2 ALA 3 -2.820 2.818 0.144
17 HB3 ALA 3 HB3 ALA 3 -2.401 3.999 1.386
18 H PHE 4 H PHE 4 -4.304 0.337 1.575
19 HA PHE 4 HA PHE 4 -3.046 -0.301 4.105
20 HB2 PHE 4 HB2 PHE 4 -4.336 -1.974 1.940
21 HB3 PHE 4 HB1 PHE 4 -3.629 -2.672 3.381
22 HD1 PHE 4 HD1 PHE 4 -5.629 0.469 3.317
23 HD2 PHE 4 HD2 PHE 4 -5.601 -3.675 4.219
24 HE1 PHE 4 HE1 PHE 4 -7.794 0.710 4.445
25 HE2 PHE 4 HE2 PHE 4 -7.773 -3.431 5.350
26 HZ PHE 4 HZ PHE 4 -8.867 -1.247 5.465
27 H CYS 5 H CYS 5 -0.975 -0.821 4.292
28 HA CYS 5 HA CYS 5 0.599 -0.827 1.840
29 HB2 CYS 5 HB2 CYS 5 1.367 -0.318 4.690
30 HB3 CYS 5 HB1 CYS 5 2.479 -0.294 3.325
31 H TYR 6 H TYR 6 1.682 -2.467 1.160
32 HA TYR 6 HA TYR 6 2.365 -4.690 2.968
33 HB2 TYR 6 HB2 TYR 6 1.652 -5.019 0.018
34 HB3 TYR 6 HB1 TYR 6 1.992 -6.263 1.191
35 HD1 TYR 6 HD1 TYR 6 -0.510 -3.701 0.276
36 HD2 TYR 6 HD2 TYR 6 0.348 -7.113 2.654
37 HE1 TYR 6 HE1 TYR 6 -2.838 -3.811 0.947
38 HE2 TYR 6 HE2 TYR 6 -1.988 -7.232 3.326
39 HH TYR 6 HH TYR 6 -4.430 -5.254 1.893
40 H SER 7 H SER 7 4.337 -5.082 3.110
41 HA SER 7 HA SER 7 6.375 -3.465 2.199
42 HB2 SER 7 HB2 SER 7 6.466 -6.331 3.047
43 HB3 SER 7 HB1 SER 7 7.862 -5.235 3.044
44 HG SER 7 HG SER 7 7.020 -4.168 4.687
45 H ASP 8 H ASP 8 5.108 -6.393 0.747
46 HA ASP 8 HA ASP 8 7.073 -6.126 -1.396
47 HB2 ASP 8 HB2 ASP 8 7.648 -8.071 -0.153
48 HB3 ASP 8 HB1 ASP 8 5.983 -8.615 -0.090
49 H ARG 9 H ARG 9 6.351 -6.899 -3.489
50 HA ARG 9 HA ARG 9 3.811 -5.740 -4.046
51 HB2 ARG 9 HB2 ARG 9 5.873 -6.918 -5.863
52 HB3 ARG 9 HB1 ARG 9 4.427 -6.062 -6.391
53 HG2 ARG 9 HG2 ARG 9 5.153 -4.060 -5.214
54 HG3 ARG 9 HG1 ARG 9 6.595 -4.905 -4.652
55 HD2 ARG 9 HD2 ARG 9 7.270 -5.233 -6.965
56 HD3 ARG 9 HD1 ARG 9 5.827 -4.338 -7.476
57 HE ARG 9 HE ARG 9 6.963 -2.565 -5.858
58 HH11 ARG 9 HH11 ARG 9 8.495 -4.454 -8.445
59 HH12 ARG 9 HH12 ARG 9 9.680 -3.273 -8.778
60 HH21 ARG 9 HH21 ARG 9 8.616 -0.979 -6.310
61 HH22 ARG 9 HH22 ARG 9 9.751 -1.272 -7.534
62 H PHE 10 H PHE 10 4.565 -8.865 -3.157
63 HA PHE 10 HA PHE 10 2.454 -9.955 -4.789
64 HB2 PHE 10 HB2 PHE 10 4.432 -11.282 -2.940
65 HB3 PHE 10 HB1 PHE 10 3.066 -12.153 -3.631
66 HD1 PHE 10 HD1 PHE 10 3.003 -12.714 -5.966
67 HD2 PHE 10 HD2 PHE 10 6.252 -10.496 -4.362
68 HE1 PHE 10 HE1 PHE 10 4.276 -13.112 -8.024
69 HE2 PHE 10 HE2 PHE 10 7.541 -10.894 -6.424
70 HZ PHE 10 HZ PHE 10 6.554 -12.199 -8.259
71 H CYS 11 H CYS 11 2.418 -8.166 -2.173
72 HA CYS 11 HA CYS 11 0.652 -7.459 -0.904
73 HB2 CYS 11 HB2 CYS 11 -0.915 -9.702 -2.161
74 HB3 CYS 11 HB1 CYS 11 -1.574 -8.333 -1.279
75 H GLN 12 H GLN 12 2.254 -10.208 -0.220
76 HA GLN 12 HA GLN 12 0.414 -11.229 1.764
77 HB2 GLN 12 HB2 GLN 12 3.180 -12.146 1.011
78 HB3 GLN 12 HB1 GLN 12 2.075 -12.970 2.092
79 HG2 GLN 12 HG2 GLN 12 1.606 -12.447 -0.825
80 HG3 GLN 12 HG1 GLN 12 2.101 -13.982 -0.114
81 HE21 GLN 12 1HE2 GLN 12 0.656 -15.085 1.123
82 HE22 GLN 12 2HE2 GLN 12 -1.056 -14.828 1.037
83 H ASN 13 H ASN 13 2.155 -8.553 1.990
84 HA ASN 13 HA ASN 13 3.042 -9.264 4.715
85 HB2 ASN 13 HB2 ASN 13 4.645 -7.539 2.817
86 HB3 ASN 13 HB1 ASN 13 5.045 -7.839 4.500
87 HD21 ASN 13 HD21 ASN 13 5.853 -9.912 5.081
88 HD22 ASN 13 HD22 ASN 13 6.471 -10.972 3.884
89 H TYR 14 H TYR 14 1.105 -8.299 5.438
90 HA TYR 14 HA TYR 14 0.522 -5.547 4.834
91 HB2 TYR 14 HB2 TYR 14 -1.268 -7.194 5.331
92 HB3 TYR 14 HB1 TYR 14 -0.652 -7.357 6.965
93 HD1 TYR 14 HD1 TYR 14 -2.162 -4.925 4.602
94 HD2 TYR 14 HD2 TYR 14 -1.392 -5.882 8.674
95 HE1 TYR 14 HE1 TYR 14 -3.636 -3.106 5.313
96 HE2 TYR 14 HE2 TYR 14 -2.867 -4.066 9.383
97 HH TYR 14 HH TYR 14 -3.750 -1.944 8.462
98 H ILE 15 H ILE 15 1.327 -3.813 5.819
99 HA ILE 15 HA ILE 15 2.531 -4.193 8.482
100 HB ILE 15 HB ILE 15 4.077 -2.298 7.931
101 HG12 ILE 15 HG12 ILE 15 3.119 -2.830 5.107
102 HG13 ILE 15 HG11 ILE 15 2.840 -1.363 6.035
103 HG21 ILE 15 HG21 ILE 15 5.635 -3.702 6.660
104 HG22 ILE 15 HG22 ILE 15 4.314 -4.820 6.318
105 HG23 ILE 15 HG23 ILE 15 4.849 -4.566 7.980
106 HD11 ILE 15 HD11 ILE 15 5.515 -2.393 5.122
107 HD12 ILE 15 HD12 ILE 15 5.233 -0.907 6.033
108 HD13 ILE 15 HD13 ILE 15 4.605 -1.070 4.392
109 H GLY 16 H GLY 16 -0.063 -2.900 7.141
110 HA2 GLY 16 HA2 GLY 16 -1.354 -1.738 8.941
111 HA3 GLY 16 HA1 GLY 16 -0.034 -0.579 8.946
112 H SER 17 H SER 17 -1.780 0.951 8.481
113 HA SER 17 HA SER 17 -2.228 1.147 5.634
114 HB2 SER 17 HB2 SER 17 -4.672 1.645 6.076
115 HB3 SER 17 HB1 SER 17 -4.193 -0.023 6.342
116 HG SER 17 HG SER 17 -5.121 1.847 8.156
117 H ILE 18 H ILE 18 -2.008 3.192 4.952
118 HA ILE 18 HA ILE 18 -2.333 5.422 6.789
119 HB ILE 18 HB ILE 18 -0.148 6.423 5.949
120 HG12 ILE 18 HG12 ILE 18 0.353 3.562 5.085
121 HG13 ILE 18 HG11 ILE 18 0.239 4.967 4.036
122 HG21 ILE 18 HG21 ILE 18 0.028 3.984 7.701
123 HG22 ILE 18 HG22 ILE 18 -0.311 5.638 8.216
124 HG23 ILE 18 HG23 ILE 18 1.273 5.221 7.561
125 HD11 ILE 18 HD11 ILE 18 2.298 5.857 5.002
126 HD12 ILE 18 HD12 ILE 18 2.542 4.230 4.356
127 HD13 ILE 18 HD13 ILE 18 2.375 4.473 6.093
128 HA PRO 19 HA PRO 19 -4.303 7.374 3.349
129 HB2 PRO 19 HB2 PRO 19 -2.623 9.784 3.819
130 HB3 PRO 19 HB1 PRO 19 -4.381 9.637 3.745
131 HG2 PRO 19 HG2 PRO 19 -3.168 9.944 6.086
132 HG3 PRO 19 HG1 PRO 19 -4.550 8.847 5.910
133 HD2 PRO 19 HD2 PRO 19 -1.642 8.200 6.126
134 HD3 PRO 19 HD1 PRO 19 -3.047 7.360 6.809
135 H ASP 20 H ASP 20 -0.892 8.428 3.380
136 HA ASP 20 HA ASP 20 -0.821 7.737 0.531
137 HB2 ASP 20 HB2 ASP 20 0.830 9.782 2.031
138 HB3 ASP 20 HB1 ASP 20 1.249 9.210 0.427
139 H CYS 21 H CYS 21 -0.024 5.827 0.280
140 HA CYS 21 HA CYS 21 1.792 4.752 2.276
141 HB2 CYS 21 HB2 CYS 21 -0.190 3.457 1.527
142 HB3 CYS 21 HB1 CYS 21 0.501 3.383 -0.088
143 H CYS 22 H CYS 22 1.994 6.199 -0.788
144 HA CYS 22 HA CYS 22 4.277 4.687 -1.649
145 HB2 CYS 22 HB2 CYS 22 2.937 7.082 -2.891
146 HB3 CYS 22 HB1 CYS 22 4.277 6.186 -3.603
147 H PHE 23 H PHE 23 4.376 6.427 0.780
148 HA PHE 23 HA PHE 23 6.741 7.997 0.085
149 HB2 PHE 23 HB2 PHE 23 4.912 7.992 2.488
150 HB3 PHE 23 HB1 PHE 23 6.509 8.728 2.570
151 HD1 PHE 23 HD1 PHE 23 3.353 8.820 0.587
152 HD2 PHE 23 HD2 PHE 23 6.800 10.927 1.913
153 HE1 PHE 23 HE1 PHE 23 2.466 10.896 -0.402
154 HE2 PHE 23 HE2 PHE 23 5.917 12.995 0.937
155 HZ PHE 23 HZ PHE 23 3.747 12.982 -0.227
156 H GLY 24 H GLY 24 6.453 5.071 0.192
157 HA2 GLY 24 HA2 GLY 24 8.938 4.498 1.406
158 HA3 GLY 24 HA1 GLY 24 7.576 3.769 2.264
159 H ARG 25 H ARG 25 9.311 2.093 1.132
160 HA ARG 25 HA ARG 25 8.493 1.343 -1.515
161 HB2 ARG 25 HB2 ARG 25 10.775 0.912 -0.816
162 HB3 ARG 25 HB1 ARG 25 10.212 -0.057 0.534
163 HG2 ARG 25 HG2 ARG 25 9.358 -1.740 -0.996
164 HG3 ARG 25 HG1 ARG 25 9.844 -0.756 -2.377
165 HD2 ARG 25 HD2 ARG 25 12.165 -0.897 -1.662
166 HD3 ARG 25 HD1 ARG 25 11.693 -1.875 -0.272
167 HE ARG 25 HE ARG 25 10.762 -3.190 -2.514
168 HH11 ARG 25 HH11 ARG 25 13.907 -2.194 -1.238
169 HH12 ARG 25 HH12 ARG 25 14.775 -3.466 -1.969
170 HH21 ARG 25 HH21 ARG 25 11.940 -4.910 -3.532
171 HH22 ARG 25 HH22 ARG 25 13.628 -5.050 -3.325
172 H GLY 26 H GLY 26 6.674 0.247 -1.959
173 HA2 GLY 26 HA2 GLY 26 5.967 -2.127 -0.792
174 HA3 GLY 26 HA1 GLY 26 5.126 -0.884 0.120
175 H SER 27 H SER 27 3.445 -2.349 -0.806
176 HA SER 27 HA SER 27 2.407 -1.238 -3.328
177 HB2 SER 27 HB2 SER 27 1.770 -3.951 -2.159
178 HB3 SER 27 HB1 SER 27 1.478 -3.369 -3.801
179 HG SER 27 HG SER 27 3.675 -4.499 -2.701
180 H TYR 28 H TYR 28 0.076 -0.827 -3.195
181 HA TYR 28 HA TYR 28 -0.969 -1.112 -0.498
182 HB2 TYR 28 HB2 TYR 28 -1.917 1.104 -0.500
183 HB3 TYR 28 HB1 TYR 28 -0.187 1.216 -0.776
184 HD1 TYR 28 HD1 TYR 28 0.664 1.853 -3.088
185 HD2 TYR 28 HD2 TYR 28 -3.493 1.865 -2.100
186 HE1 TYR 28 HE1 TYR 28 0.202 3.183 -5.042
187 HE2 TYR 28 HE2 TYR 28 -3.953 3.207 -4.073
188 HH TYR 28 HH TYR 28 -1.668 3.626 -6.537
189 H SER 29 H SER 29 -3.153 -1.270 -0.294
190 HA SER 29 HA SER 29 -4.866 -1.339 -2.617
191 HB2 SER 29 HB2 SER 29 -5.790 -3.560 -1.944
192 HB3 SER 29 HB1 SER 29 -4.097 -3.683 -2.428
193 HG SER 29 HG SER 29 -5.215 -4.361 -0.083
194 H PHE 30 H PHE 30 -7.242 -1.670 -1.651
195 HA PHE 30 HA PHE 30 -7.245 -0.173 0.862
196 HB2 PHE 30 HB2 PHE 30 -9.319 -0.225 -1.353
197 HB3 PHE 30 HB1 PHE 30 -9.436 0.714 0.135
198 HD1 PHE 30 HD1 PHE 30 -7.806 2.559 0.560
199 HD2 PHE 30 HD2 PHE 30 -8.010 0.547 -3.180
200 HE1 PHE 30 HE1 PHE 30 -6.537 4.373 -0.482
201 HE2 PHE 30 HE2 PHE 30 -6.737 2.370 -4.236
202 HZ PHE 30 HZ PHE 30 -5.994 4.285 -2.885
203 H GLU 31 H GLU 31 -7.021 -3.018 0.486
204 HA GLU 31 HA GLU 31 -9.136 -3.936 2.231
205 HB2 GLU 31 HB2 GLU 31 -9.652 -5.863 0.770
206 HB3 GLU 31 HB1 GLU 31 -10.116 -4.333 0.032
207 HG2 GLU 31 HG2 GLU 31 -8.102 -4.379 -1.342
208 HG3 GLU 31 HG1 GLU 31 -7.617 -5.895 -0.585
209 H LEU 32 H LEU 32 -8.619 -6.152 3.024
210 HA LEU 32 HA LEU 32 -5.820 -6.302 3.657
211 HB2 LEU 32 HB2 LEU 32 -8.160 -8.022 4.488
212 HB3 LEU 32 HB1 LEU 32 -6.523 -8.293 5.021
213 HG LEU 32 HG LEU 32 -7.709 -7.280 6.786
214 HD11 LEU 32 HD11 LEU 32 -6.492 -5.225 7.215
215 HD12 LEU 32 HD12 LEU 32 -5.941 -5.216 5.541
216 HD13 LEU 32 HD13 LEU 32 -5.468 -6.529 6.619
217 HD21 LEU 32 HD21 LEU 32 -8.800 -5.042 6.589
218 HD22 LEU 32 HD22 LEU 32 -9.587 -6.326 5.679
219 HD23 LEU 32 HD23 LEU 32 -8.585 -5.155 4.834
220 H GLN 33 H GLN 33 -4.427 -7.337 2.562
221 HA GLN 33 HA GLN 33 -3.459 -8.549 0.948
222 HB2 GLN 33 HB2 GLN 33 -4.612 -10.661 2.738
223 HB3 GLN 33 HB1 GLN 33 -3.456 -11.017 1.463
224 HG2 GLN 33 HG2 GLN 33 -1.855 -9.479 2.516
225 HG3 GLN 33 HG1 GLN 33 -3.011 -9.191 3.815
226 HE21 GLN 33 1HE2 GLN 33 -3.356 -10.769 5.305
227 HE22 GLN 33 2HE2 GLN 33 -2.340 -12.158 5.482
228 HA PRO 34 HA PRO 34 -6.557 -9.756 -2.087
229 HB2 PRO 34 HB2 PRO 34 -6.003 -7.875 -3.931
230 HB3 PRO 34 HB1 PRO 34 -7.034 -7.498 -2.548
231 HG2 PRO 34 HG2 PRO 34 -4.200 -6.770 -3.055
232 HG3 PRO 34 HG1 PRO 34 -5.459 -5.865 -2.204
233 HD2 PRO 34 HD2 PRO 34 -3.433 -7.426 -1.027
234 HD3 PRO 34 HD1 PRO 34 -4.861 -6.770 -0.211
235 HA PRO 35 HA PRO 35 -3.437 -11.846 -4.522
236 HB2 PRO 35 HB2 PRO 35 -4.281 -11.508 -7.143
237 HB3 PRO 35 HB1 PRO 35 -4.878 -12.754 -6.046
238 HG2 PRO 35 HG2 PRO 35 -6.085 -10.141 -6.787
239 HG3 PRO 35 HG1 PRO 35 -6.875 -11.697 -6.479
240 HD2 PRO 35 HD2 PRO 35 -6.878 -9.693 -4.670
241 HD3 PRO 35 HD1 PRO 35 -6.846 -11.402 -4.197
242 HA PRO 36 HA PRO 36 0.005 -9.164 -5.261
243 HB2 PRO 36 HB2 PRO 36 0.305 -10.613 -7.816
244 HB3 PRO 36 HB1 PRO 36 1.474 -10.360 -6.526
245 HG2 PRO 36 HG2 PRO 36 -0.064 -12.660 -6.958
246 HG3 PRO 36 HG1 PRO 36 0.881 -12.284 -5.515
247 HD2 PRO 36 HD2 PRO 36 -1.913 -12.523 -5.715
248 HD3 PRO 36 HD1 PRO 36 -1.005 -11.896 -4.327
249 H TRP 37 H TRP 37 -1.872 -9.742 -8.204
250 HA TRP 37 HA TRP 37 -0.862 -7.434 -9.550
251 HB2 TRP 37 HB2 TRP 37 -2.563 -8.101 -11.295
252 HB3 TRP 37 HB1 TRP 37 -1.321 -9.289 -10.916
253 HD1 TRP 37 HD TRP 37 -5.102 -8.678 -10.568
254 HE1 TRP 37 HE1 TRP 37 -6.229 -10.903 -9.977
255 HE3 TRP 37 3HE TRP 37 -0.924 -11.531 -9.743
256 HZ2 TRP 37 HZ2 TRP 37 -5.462 -13.528 -9.269
257 HZ3 TRP 37 HZ3 TRP 37 -1.222 -13.879 -9.110
258 HH2 TRP 37 HH TRP 37 -3.439 -14.851 -8.877
259 H GLU 38 H GLU 38 -3.246 -7.741 -7.245
260 HA GLU 38 HA GLU 38 -4.837 -5.582 -8.361
261 HB2 GLU 38 HB2 GLU 38 -5.292 -7.378 -5.990
262 HB3 GLU 38 HB1 GLU 38 -6.390 -6.095 -6.493
263 HG2 GLU 38 HG2 GLU 38 -5.572 -8.396 -8.241
264 HG3 GLU 38 HG1 GLU 38 -7.045 -8.378 -7.283
265 H CYS 39 H CYS 39 -2.304 -6.093 -6.179
266 HA CYS 39 HA CYS 39 -2.852 -3.729 -4.617
267 HB2 CYS 39 HB2 CYS 39 -0.334 -5.398 -4.842
268 HB3 CYS 39 HB1 CYS 39 -0.533 -4.025 -3.764
269 H TYR 40 H TYR 40 -2.245 -1.754 -5.104
270 HA TYR 40 HA TYR 40 -1.028 -1.268 -7.672
271 HB2 TYR 40 HB2 TYR 40 -1.832 0.729 -5.538
272 HB3 TYR 40 HB1 TYR 40 -1.582 1.037 -7.250
273 HD1 TYR 40 HD1 TYR 40 -3.921 -0.027 -4.714
274 HD2 TYR 40 HD2 TYR 40 -3.257 0.189 -8.905
275 HE1 TYR 40 HE1 TYR 40 -6.314 -0.378 -5.096
276 HE2 TYR 40 HE2 TYR 40 -5.659 -0.159 -9.304
277 HH TYR 40 HH TYR 40 -7.977 0.073 -6.836
278 H GLN 41 H GLN 41 1.103 -0.922 -7.846
279 HA GLN 41 HA GLN 41 2.603 -0.924 -5.363
280 HB2 GLN 41 HB2 GLN 41 4.597 -1.392 -6.808
281 HB3 GLN 41 HB1 GLN 41 3.352 -2.628 -6.826
282 HG2 GLN 41 HG2 GLN 41 2.572 -1.833 -8.984
283 HG3 GLN 41 HG1 GLN 41 3.773 -0.539 -8.955
284 HE21 GLN 41 1HE2 GLN 41 5.912 -1.034 -9.365
285 HE22 GLN 41 2HE2 GLN 41 6.391 -2.585 -9.964
286 H CYS 42 H CYS 42 4.024 0.582 -4.756
287 HA CYS 42 HA CYS 42 3.741 3.128 -6.022
288 HB2 CYS 42 HB2 CYS 42 5.206 2.289 -3.510
289 HB3 CYS 42 HB1 CYS 42 5.032 3.952 -4.063
Start of MODEL 14
1 H PCA 1 H PGL 1 -10.440 3.389 0.455
2 HA PCA 1 HA PGL 1 -9.786 5.868 0.105
3 HB2 PCA 1 HB1 PGL 1 -10.982 7.308 1.404
4 HB3 PCA 1 HB2 PGL 1 -10.382 6.499 2.879
5 HG2 PCA 1 HG1 PGL 1 -12.993 6.236 1.606
6 HG3 PCA 1 HG2 PGL 1 -12.407 5.503 3.138
7 H GLU 2 H GLU 2 -9.518 3.486 2.579
8 HA GLU 2 HA GLU 2 -6.997 4.539 3.506
9 HB2 GLU 2 HB2 GLU 2 -8.440 2.006 4.311
10 HB3 GLU 2 HB1 GLU 2 -7.015 2.672 5.093
11 HG2 GLU 2 HG2 GLU 2 -9.743 3.942 4.979
12 HG3 GLU 2 HG1 GLU 2 -9.001 3.171 6.378
13 H ALA 3 H ALA 3 -5.199 4.035 2.660
14 HA ALA 3 HA ALA 3 -4.982 1.830 0.780
15 HB1 ALA 3 HB1 ALA 3 -4.135 4.017 0.070
16 HB2 ALA 3 HB2 ALA 3 -2.814 2.857 0.201
17 HB3 ALA 3 HB3 ALA 3 -3.058 4.060 1.463
18 H PHE 4 H PHE 4 -4.252 0.001 1.451
19 HA PHE 4 HA PHE 4 -2.888 -0.248 4.016
20 HB2 PHE 4 HB2 PHE 4 -4.015 -2.327 2.132
21 HB3 PHE 4 HB1 PHE 4 -3.368 -2.653 3.737
22 HD1 PHE 4 HD1 PHE 4 -6.237 -1.767 1.842
23 HD2 PHE 4 HD2 PHE 4 -4.520 -1.502 5.713
24 HE1 PHE 4 HE1 PHE 4 -8.448 -1.269 2.784
25 HE2 PHE 4 HE2 PHE 4 -6.725 -1.001 6.666
26 HZ PHE 4 HZ PHE 4 -8.696 -0.881 5.195
27 H CYS 5 H CYS 5 -0.813 -0.879 4.155
28 HA CYS 5 HA CYS 5 0.621 -0.782 1.614
29 HB2 CYS 5 HB2 CYS 5 1.583 -0.190 4.394
30 HB3 CYS 5 HB1 CYS 5 2.502 0.017 2.903
31 H TYR 6 H TYR 6 1.735 -2.376 0.942
32 HA TYR 6 HA TYR 6 2.483 -4.565 2.776
33 HB2 TYR 6 HB2 TYR 6 1.596 -4.864 -0.076
34 HB3 TYR 6 HB1 TYR 6 2.035 -6.158 0.992
35 HD1 TYR 6 HD1 TYR 6 -0.577 -3.665 0.251
36 HD2 TYR 6 HD2 TYR 6 0.491 -6.991 2.677
37 HE1 TYR 6 HE1 TYR 6 -2.857 -3.840 0.996
38 HE2 TYR 6 HE2 TYR 6 -1.808 -7.172 3.448
39 HH TYR 6 HH TYR 6 -4.377 -5.286 1.993
40 H SER 7 H SER 7 4.506 -4.685 2.855
41 HA SER 7 HA SER 7 6.298 -3.419 0.987
42 HB2 SER 7 HB2 SER 7 6.774 -5.175 3.374
43 HB3 SER 7 HB1 SER 7 8.041 -4.251 2.544
44 HG SER 7 HG SER 7 6.473 -2.404 3.031
45 H ASP 8 H ASP 8 4.835 -5.342 -0.302
46 HA ASP 8 HA ASP 8 6.828 -7.022 -1.426
47 HB2 ASP 8 HB2 ASP 8 6.197 -8.505 0.377
48 HB3 ASP 8 HB1 ASP 8 4.488 -8.247 0.046
49 H ARG 9 H ARG 9 6.226 -7.720 -3.435
50 HA ARG 9 HA ARG 9 4.389 -5.985 -4.773
51 HB2 ARG 9 HB2 ARG 9 6.204 -8.198 -5.713
52 HB3 ARG 9 HB1 ARG 9 5.095 -7.395 -6.805
53 HG2 ARG 9 HG2 ARG 9 7.364 -6.492 -6.991
54 HG3 ARG 9 HG1 ARG 9 6.230 -5.271 -6.436
55 HD2 ARG 9 HD2 ARG 9 8.359 -5.137 -5.236
56 HD3 ARG 9 HD1 ARG 9 7.031 -5.552 -4.155
57 HE ARG 9 HE ARG 9 8.472 -7.806 -5.198
58 HH11 ARG 9 HH11 ARG 9 8.350 -5.426 -2.582
59 HH12 ARG 9 HH12 ARG 9 9.246 -6.371 -1.492
60 HH21 ARG 9 HH21 ARG 9 9.713 -9.097 -3.669
61 HH22 ARG 9 HH22 ARG 9 10.039 -8.473 -2.118
62 H PHE 10 H PHE 10 4.137 -9.136 -3.411
63 HA PHE 10 HA PHE 10 1.855 -9.775 -5.091
64 HB2 PHE 10 HB2 PHE 10 3.387 -11.560 -3.187
65 HB3 PHE 10 HB1 PHE 10 2.197 -12.060 -4.388
66 HD1 PHE 10 HD1 PHE 10 5.644 -11.243 -3.753
67 HD2 PHE 10 HD2 PHE 10 2.748 -11.815 -6.819
68 HE1 PHE 10 HE1 PHE 10 7.441 -11.457 -5.402
69 HE2 PHE 10 HE2 PHE 10 4.544 -12.031 -8.473
70 HZ PHE 10 HZ PHE 10 6.895 -11.854 -7.773
71 H CYS 11 H CYS 11 2.265 -7.957 -2.656
72 HA CYS 11 HA CYS 11 0.910 -7.085 -1.031
73 HB2 CYS 11 HB2 CYS 11 -1.087 -9.238 -1.739
74 HB3 CYS 11 HB1 CYS 11 -1.398 -7.702 -0.940
75 H GLN 12 H GLN 12 2.710 -9.522 -0.557
76 HA GLN 12 HA GLN 12 1.270 -11.044 1.395
77 HB2 GLN 12 HB2 GLN 12 4.172 -11.107 0.661
78 HB3 GLN 12 HB1 GLN 12 3.344 -12.276 1.681
79 HG2 GLN 12 HG2 GLN 12 1.956 -12.961 -0.156
80 HG3 GLN 12 HG1 GLN 12 2.642 -11.699 -1.175
81 HE21 GLN 12 1HE2 GLN 12 4.740 -11.870 -1.817
82 HE22 GLN 12 2HE2 GLN 12 5.578 -13.377 -1.900
83 H ASN 13 H ASN 13 3.219 -8.169 1.656
84 HA ASN 13 HA ASN 13 3.623 -8.911 4.480
85 HB2 ASN 13 HB2 ASN 13 5.445 -7.117 2.865
86 HB3 ASN 13 HB1 ASN 13 5.643 -7.486 4.571
87 HD21 ASN 13 HD21 ASN 13 7.560 -7.957 2.567
88 HD22 ASN 13 HD22 ASN 13 7.815 -9.652 2.445
89 H TYR 14 H TYR 14 1.710 -8.048 5.166
90 HA TYR 14 HA TYR 14 0.929 -5.369 4.694
91 HB2 TYR 14 HB2 TYR 14 -0.652 -7.157 5.319
92 HB3 TYR 14 HB1 TYR 14 0.117 -7.281 6.893
93 HD1 TYR 14 HD1 TYR 14 -0.647 -5.957 8.683
94 HD2 TYR 14 HD2 TYR 14 -1.785 -4.940 4.714
95 HE1 TYR 14 HE1 TYR 14 -2.236 -4.313 9.560
96 HE2 TYR 14 HE2 TYR 14 -3.364 -3.292 5.582
97 HH TYR 14 HH TYR 14 -4.681 -2.978 7.761
98 H ILE 15 H ILE 15 1.845 -3.595 5.576
99 HA ILE 15 HA ILE 15 3.190 -3.906 8.183
100 HB ILE 15 HB ILE 15 4.541 -1.913 7.644
101 HG12 ILE 15 HG12 ILE 15 3.295 -2.116 4.884
102 HG13 ILE 15 HG11 ILE 15 2.925 -0.870 6.068
103 HG21 ILE 15 HG21 ILE 15 4.700 -4.103 5.583
104 HG22 ILE 15 HG22 ILE 15 5.396 -4.142 7.198
105 HG23 ILE 15 HG23 ILE 15 6.001 -2.988 6.005
106 HD11 ILE 15 HD11 ILE 15 5.215 -0.062 5.945
107 HD12 ILE 15 HD12 ILE 15 4.461 -0.075 4.351
108 HD13 ILE 15 HD13 ILE 15 5.613 -1.337 4.793
109 H GLY 16 H GLY 16 0.425 -2.889 6.974
110 HA2 GLY 16 HA2 GLY 16 -1.028 -1.921 8.734
111 HA3 GLY 16 HA1 GLY 16 0.215 -0.681 8.902
112 H SER 17 H SER 17 -1.403 0.881 8.403
113 HA SER 17 HA SER 17 -1.759 1.162 5.542
114 HB2 SER 17 HB2 SER 17 -4.125 1.998 6.173
115 HB3 SER 17 HB1 SER 17 -3.843 0.261 6.117
116 HG SER 17 HG SER 17 -4.271 1.947 8.282
117 H ILE 18 H ILE 18 -1.250 3.182 4.925
118 HA ILE 18 HA ILE 18 -1.489 5.398 6.761
119 HB ILE 18 HB ILE 18 0.834 6.197 6.105
120 HG12 ILE 18 HG12 ILE 18 1.199 3.293 5.334
121 HG13 ILE 18 HG11 ILE 18 1.235 4.674 4.249
122 HG21 ILE 18 HG21 ILE 18 0.656 3.797 7.905
123 HG22 ILE 18 HG22 ILE 18 0.449 5.491 8.358
124 HG23 ILE 18 HG23 ILE 18 2.026 4.902 7.836
125 HD11 ILE 18 HD11 ILE 18 3.206 4.089 6.442
126 HD12 ILE 18 HD12 ILE 18 3.258 5.478 5.355
127 HD13 ILE 18 HD13 ILE 18 3.469 3.846 4.715
128 HA PRO 19 HA PRO 19 -2.649 7.197 2.884
129 HB2 PRO 19 HB2 PRO 19 -2.690 9.803 3.534
130 HB3 PRO 19 HB1 PRO 19 -3.878 8.669 4.182
131 HG2 PRO 19 HG2 PRO 19 -1.433 9.791 5.485
132 HG3 PRO 19 HG1 PRO 19 -3.041 9.507 6.175
133 HD2 PRO 19 HD2 PRO 19 -0.886 7.828 6.520
134 HD3 PRO 19 HD1 PRO 19 -2.579 7.310 6.633
135 H ASP 20 H ASP 20 0.355 7.504 4.211
136 HA ASP 20 HA ASP 20 1.468 8.920 1.885
137 HB2 ASP 20 HB2 ASP 20 3.387 9.454 3.327
138 HB3 ASP 20 HB1 ASP 20 1.899 10.032 4.064
139 H CYS 21 H CYS 21 0.627 6.306 1.775
140 HA CYS 21 HA CYS 21 2.426 4.315 2.517
141 HB2 CYS 21 HB2 CYS 21 -0.003 4.116 1.773
142 HB3 CYS 21 HB1 CYS 21 0.613 4.167 0.124
143 H CYS 22 H CYS 22 2.321 6.281 -0.437
144 HA CYS 22 HA CYS 22 4.315 4.710 -1.751
145 HB2 CYS 22 HB2 CYS 22 3.157 7.412 -2.421
146 HB3 CYS 22 HB1 CYS 22 4.368 6.605 -3.411
147 H PHE 23 H PHE 23 4.600 6.685 0.809
148 HA PHE 23 HA PHE 23 7.292 7.538 0.064
149 HB2 PHE 23 HB2 PHE 23 5.542 8.364 2.402
150 HB3 PHE 23 HB1 PHE 23 7.170 8.962 2.102
151 HD1 PHE 23 HD1 PHE 23 7.601 10.556 0.341
152 HD2 PHE 23 HD2 PHE 23 3.674 9.068 1.011
153 HE1 PHE 23 HE1 PHE 23 6.685 12.335 -1.080
154 HE2 PHE 23 HE2 PHE 23 2.752 10.848 -0.414
155 HZ PHE 23 HZ PHE 23 4.259 12.482 -1.458
156 H GLY 24 H GLY 24 5.833 4.934 1.168
157 HA2 GLY 24 HA2 GLY 24 7.945 4.280 3.101
158 HA3 GLY 24 HA1 GLY 24 6.284 3.712 3.264
159 H ARG 25 H ARG 25 7.976 1.771 3.260
160 HA ARG 25 HA ARG 25 8.701 0.828 0.642
161 HB2 ARG 25 HB2 ARG 25 8.678 -0.543 3.316
162 HB3 ARG 25 HB1 ARG 25 9.273 -1.269 1.839
163 HG2 ARG 25 HG2 ARG 25 11.030 0.368 1.704
164 HG3 ARG 25 HG1 ARG 25 10.386 1.205 3.121
165 HD2 ARG 25 HD2 ARG 25 11.354 -1.645 3.064
166 HD3 ARG 25 HD1 ARG 25 12.267 -0.281 3.703
167 HE ARG 25 HE ARG 25 10.258 -0.011 5.233
168 HH11 ARG 25 HH11 ARG 25 11.465 -3.163 4.129
169 HH12 ARG 25 HH12 ARG 25 10.872 -4.012 5.483
170 HH21 ARG 25 HH21 ARG 25 9.462 -1.216 7.122
171 HH22 ARG 25 HH22 ARG 25 9.722 -2.890 7.190
172 H GLY 26 H GLY 26 7.042 0.158 -0.718
173 HA2 GLY 26 HA2 GLY 26 5.990 -2.187 -0.702
174 HA3 GLY 26 HA1 GLY 26 5.026 -1.499 0.582
175 H SER 27 H SER 27 3.720 -2.567 -1.156
176 HA SER 27 HA SER 27 2.824 -0.807 -3.307
177 HB2 SER 27 HB2 SER 27 1.762 -3.525 -2.548
178 HB3 SER 27 HB1 SER 27 1.773 -2.753 -4.132
179 HG SER 27 HG SER 27 3.568 -4.380 -3.009
180 H TYR 28 H TYR 28 0.383 -0.558 -3.334
181 HA TYR 28 HA TYR 28 -0.731 -0.687 -0.632
182 HB2 TYR 28 HB2 TYR 28 -1.818 1.473 -0.911
183 HB3 TYR 28 HB1 TYR 28 -0.082 1.652 -1.083
184 HD1 TYR 28 HD1 TYR 28 -3.328 2.001 -2.698
185 HD2 TYR 28 HD2 TYR 28 0.891 2.164 -3.394
186 HE1 TYR 28 HE1 TYR 28 -3.707 3.181 -4.814
187 HE2 TYR 28 HE2 TYR 28 0.507 3.322 -5.475
188 HH TYR 28 HH TYR 28 -1.267 3.593 -7.142
189 H SER 29 H SER 29 -2.839 -1.228 -0.476
190 HA SER 29 HA SER 29 -4.375 -1.479 -2.945
191 HB2 SER 29 HB2 SER 29 -5.254 -3.662 -2.188
192 HB3 SER 29 HB1 SER 29 -3.504 -3.735 -2.390
193 HG SER 29 HG SER 29 -4.950 -4.220 -0.177
194 H PHE 30 H PHE 30 -6.751 -1.799 -2.319
195 HA PHE 30 HA PHE 30 -7.252 -0.060 -0.036
196 HB2 PHE 30 HB2 PHE 30 -8.924 -0.626 -2.485
197 HB3 PHE 30 HB1 PHE 30 -9.460 0.388 -1.152
198 HD1 PHE 30 HD1 PHE 30 -7.872 0.375 -4.281
199 HD2 PHE 30 HD2 PHE 30 -7.782 2.315 -0.495
200 HE1 PHE 30 HE1 PHE 30 -6.703 2.282 -5.289
201 HE2 PHE 30 HE2 PHE 30 -6.622 4.229 -1.499
202 HZ PHE 30 HZ PHE 30 -6.076 4.215 -3.900
203 H GLU 31 H GLU 31 -7.053 -3.161 -0.549
204 HA GLU 31 HA GLU 31 -9.159 -3.795 1.378
205 HB2 GLU 31 HB2 GLU 31 -8.467 -5.458 -1.045
206 HB3 GLU 31 HB1 GLU 31 -9.526 -5.977 0.256
207 HG2 GLU 31 HG2 GLU 31 -10.996 -4.044 -0.268
208 HG3 GLU 31 HG1 GLU 31 -9.976 -3.717 -1.665
209 H LEU 32 H LEU 32 -8.760 -5.802 2.539
210 HA LEU 32 HA LEU 32 -5.987 -5.888 3.352
211 HB2 LEU 32 HB2 LEU 32 -8.482 -7.055 4.539
212 HB3 LEU 32 HB1 LEU 32 -6.881 -7.316 5.195
213 HG LEU 32 HG LEU 32 -8.200 -4.616 4.921
214 HD11 LEU 32 HD11 LEU 32 -7.744 -6.345 7.347
215 HD12 LEU 32 HD12 LEU 32 -9.301 -6.057 6.573
216 HD13 LEU 32 HD13 LEU 32 -8.436 -4.723 7.337
217 HD21 LEU 32 HD21 LEU 32 -5.657 -5.486 6.288
218 HD22 LEU 32 HD22 LEU 32 -6.350 -3.862 6.300
219 HD23 LEU 32 HD23 LEU 32 -5.758 -4.544 4.800
220 H GLN 33 H GLN 33 -4.637 -7.319 2.890
221 HA GLN 33 HA GLN 33 -3.589 -9.060 1.953
222 HB2 GLN 33 HB2 GLN 33 -5.734 -10.617 3.388
223 HB3 GLN 33 HB1 GLN 33 -4.215 -11.280 2.809
224 HG2 GLN 33 HG2 GLN 33 -3.009 -9.759 4.344
225 HG3 GLN 33 HG1 GLN 33 -4.561 -9.191 4.951
226 HE21 GLN 33 1HE2 GLN 33 -4.214 -9.924 7.027
227 HE22 GLN 33 2HE2 GLN 33 -4.204 -11.609 7.425
228 HA PRO 34 HA PRO 34 -6.496 -10.000 -1.490
229 HB2 PRO 34 HB2 PRO 34 -6.110 -7.989 -3.173
230 HB3 PRO 34 HB1 PRO 34 -7.087 -7.747 -1.724
231 HG2 PRO 34 HG2 PRO 34 -4.320 -6.826 -2.298
232 HG3 PRO 34 HG1 PRO 34 -5.571 -6.073 -1.297
233 HD2 PRO 34 HD2 PRO 34 -3.412 -7.734 -0.427
234 HD3 PRO 34 HD1 PRO 34 -4.727 -7.068 0.559
235 HA PRO 35 HA PRO 35 -3.305 -11.830 -4.057
236 HB2 PRO 35 HB2 PRO 35 -4.395 -11.639 -6.573
237 HB3 PRO 35 HB1 PRO 35 -4.876 -12.853 -5.384
238 HG2 PRO 35 HG2 PRO 35 -6.184 -10.261 -6.082
239 HG3 PRO 35 HG1 PRO 35 -6.925 -11.840 -5.775
240 HD2 PRO 35 HD2 PRO 35 -6.914 -9.911 -3.920
241 HD3 PRO 35 HD1 PRO 35 -6.745 -11.623 -3.490
242 HA PRO 36 HA PRO 36 -0.291 -8.933 -5.526
243 HB2 PRO 36 HB2 PRO 36 -0.080 -10.094 -8.159
244 HB3 PRO 36 HB1 PRO 36 1.071 -10.202 -6.835
245 HG2 PRO 36 HG2 PRO 36 -0.963 -12.107 -7.724
246 HG3 PRO 36 HG1 PRO 36 0.431 -12.380 -6.670
247 HD2 PRO 36 HD2 PRO 36 -2.123 -12.435 -5.807
248 HD3 PRO 36 HD1 PRO 36 -0.779 -11.910 -4.764
249 H TRP 37 H TRP 37 -2.759 -9.665 -7.966
250 HA TRP 37 HA TRP 37 -2.235 -7.314 -9.488
251 HB2 TRP 37 HB2 TRP 37 -4.323 -7.951 -10.755
252 HB3 TRP 37 HB1 TRP 37 -3.030 -9.137 -10.736
253 HD1 TRP 37 HD TRP 37 -6.569 -8.554 -9.245
254 HE1 TRP 37 HE1 TRP 37 -7.545 -10.853 -8.632
255 HE3 TRP 37 3HE TRP 37 -2.441 -11.473 -10.078
256 HZ2 TRP 37 HZ2 TRP 37 -6.694 -13.529 -8.492
257 HZ3 TRP 37 HZ3 TRP 37 -2.619 -13.891 -9.657
258 HH2 TRP 37 HH TRP 37 -4.701 -14.889 -8.886
259 H GLU 38 H GLU 38 -3.856 -7.654 -6.639
260 HA GLU 38 HA GLU 38 -5.739 -5.522 -7.236
261 HB2 GLU 38 HB2 GLU 38 -5.377 -7.307 -4.864
262 HB3 GLU 38 HB1 GLU 38 -6.601 -6.038 -4.951
263 HG2 GLU 38 HG2 GLU 38 -6.360 -8.313 -6.892
264 HG3 GLU 38 HG1 GLU 38 -7.460 -8.335 -5.523
265 H CYS 39 H CYS 39 -2.615 -5.846 -6.122
266 HA CYS 39 HA CYS 39 -2.793 -3.414 -4.522
267 HB2 CYS 39 HB2 CYS 39 -0.499 -5.332 -4.927
268 HB3 CYS 39 HB1 CYS 39 -0.401 -3.850 -3.986
269 H TYR 40 H TYR 40 -1.597 -1.616 -5.026
270 HA TYR 40 HA TYR 40 -0.781 -1.464 -7.835
271 HB2 TYR 40 HB2 TYR 40 -1.688 0.787 -6.027
272 HB3 TYR 40 HB1 TYR 40 -1.465 0.843 -7.775
273 HD1 TYR 40 HD1 TYR 40 -3.767 0.185 -5.109
274 HD2 TYR 40 HD2 TYR 40 -2.996 -0.601 -9.211
275 HE1 TYR 40 HE1 TYR 40 -6.100 -0.503 -5.406
276 HE2 TYR 40 HE2 TYR 40 -5.316 -1.279 -9.525
277 HH TYR 40 HH TYR 40 -7.147 -2.163 -8.135
278 H GLN 41 H GLN 41 1.169 -0.424 -8.244
279 HA GLN 41 HA GLN 41 2.940 -0.355 -5.932
280 HB2 GLN 41 HB2 GLN 41 3.506 -0.671 -8.879
281 HB3 GLN 41 HB1 GLN 41 4.758 -0.522 -7.652
282 HG2 GLN 41 HG2 GLN 41 3.973 -2.541 -6.566
283 HG3 GLN 41 HG1 GLN 41 2.662 -2.681 -7.724
284 HE21 GLN 41 1HE2 GLN 41 4.338 -1.971 -10.049
285 HE22 GLN 41 2HE2 GLN 41 5.351 -3.348 -10.284
286 H CYS 42 H CYS 42 4.356 1.355 -5.617
287 HA CYS 42 HA CYS 42 3.360 3.831 -6.696
288 HB2 CYS 42 HB2 CYS 42 5.257 3.281 -4.397
289 HB3 CYS 42 HB1 CYS 42 4.701 4.879 -4.881
Start of MODEL 15
1 H PCA 1 H PGL 1 -9.771 4.572 1.323
2 HA PCA 1 HA PGL 1 -10.704 5.991 3.183
3 HB2 PCA 1 HB1 PGL 1 -12.170 4.876 4.536
4 HB3 PCA 1 HB2 PGL 1 -10.837 3.842 5.117
5 HG2 PCA 1 HG1 PGL 1 -12.927 3.224 3.143
6 HG3 PCA 1 HG2 PGL 1 -11.726 2.127 3.906
7 H GLU 2 H GLU 2 -8.543 3.305 3.119
8 HA GLU 2 HA GLU 2 -6.401 4.877 4.248
9 HB2 GLU 2 HB2 GLU 2 -7.144 2.122 5.272
10 HB3 GLU 2 HB1 GLU 2 -5.657 2.978 5.620
11 HG2 GLU 2 HG2 GLU 2 -6.919 4.652 6.858
12 HG3 GLU 2 HG1 GLU 2 -8.415 3.783 6.505
13 H ALA 3 H ALA 3 -4.429 4.091 3.394
14 HA ALA 3 HA ALA 3 -4.799 2.105 1.315
15 HB1 ALA 3 HB1 ALA 3 -2.472 3.938 1.951
16 HB2 ALA 3 HB2 ALA 3 -3.654 4.182 0.667
17 HB3 ALA 3 HB3 ALA 3 -2.537 2.821 0.589
18 H PHE 4 H PHE 4 -4.351 0.118 1.822
19 HA PHE 4 HA PHE 4 -3.040 -0.522 4.304
20 HB2 PHE 4 HB2 PHE 4 -4.130 -2.309 2.119
21 HB3 PHE 4 HB1 PHE 4 -3.599 -2.868 3.692
22 HD1 PHE 4 HD1 PHE 4 -6.354 -2.035 1.787
23 HD2 PHE 4 HD2 PHE 4 -4.849 -1.577 5.717
24 HE1 PHE 4 HE1 PHE 4 -8.645 -1.690 2.621
25 HE2 PHE 4 HE2 PHE 4 -7.139 -1.228 6.557
26 HZ PHE 4 HZ PHE 4 -9.039 -1.294 4.989
27 H CYS 5 H CYS 5 -0.930 -0.635 4.414
28 HA CYS 5 HA CYS 5 0.599 -0.739 1.965
29 HB2 CYS 5 HB2 CYS 5 1.416 -0.178 4.802
30 HB3 CYS 5 HB1 CYS 5 2.482 -0.105 3.404
31 H TYR 6 H TYR 6 1.636 -2.412 1.306
32 HA TYR 6 HA TYR 6 2.431 -4.517 3.196
33 HB2 TYR 6 HB2 TYR 6 1.778 -4.960 0.248
34 HB3 TYR 6 HB1 TYR 6 2.138 -6.152 1.463
35 HD1 TYR 6 HD1 TYR 6 -0.462 -3.816 0.296
36 HD2 TYR 6 HD2 TYR 6 0.472 -7.013 2.930
37 HE1 TYR 6 HE1 TYR 6 -2.828 -4.095 0.779
38 HE2 TYR 6 HE2 TYR 6 -1.872 -7.305 3.434
39 HH TYR 6 HH TYR 6 -4.382 -5.654 1.643
40 H SER 7 H SER 7 4.493 -4.751 3.292
41 HA SER 7 HA SER 7 6.183 -3.067 1.746
42 HB2 SER 7 HB2 SER 7 7.953 -4.288 3.064
43 HB3 SER 7 HB1 SER 7 6.663 -3.523 4.015
44 HG SER 7 HG SER 7 7.387 -5.948 4.262
45 H ASP 8 H ASP 8 5.280 -6.356 1.819
46 HA ASP 8 HA ASP 8 6.989 -7.318 -0.241
47 HB2 ASP 8 HB2 ASP 8 6.140 -8.901 1.322
48 HB3 ASP 8 HB1 ASP 8 4.484 -8.377 1.054
49 H ARG 9 H ARG 9 6.648 -7.397 -2.400
50 HA ARG 9 HA ARG 9 4.609 -5.631 -3.377
51 HB2 ARG 9 HB2 ARG 9 6.972 -6.907 -4.721
52 HB3 ARG 9 HB1 ARG 9 5.721 -6.111 -5.660
53 HG2 ARG 9 HG2 ARG 9 7.514 -4.552 -5.334
54 HG3 ARG 9 HG1 ARG 9 6.150 -4.023 -4.361
55 HD2 ARG 9 HD2 ARG 9 8.166 -3.758 -3.077
56 HD3 ARG 9 HD1 ARG 9 7.230 -5.078 -2.384
57 HE ARG 9 HE ARG 9 9.150 -5.923 -4.318
58 HH11 ARG 9 HH11 ARG 9 8.675 -5.198 -0.852
59 HH12 ARG 9 HH12 ARG 9 10.046 -6.057 -0.342
60 HH21 ARG 9 HH21 ARG 9 11.039 -7.121 -3.586
61 HH22 ARG 9 HH22 ARG 9 11.412 -7.199 -1.931
62 H PHE 10 H PHE 10 4.292 -8.704 -2.555
63 HA PHE 10 HA PHE 10 2.519 -9.260 -4.799
64 HB2 PHE 10 HB2 PHE 10 3.867 -11.184 -2.883
65 HB3 PHE 10 HB1 PHE 10 2.740 -11.643 -4.151
66 HD1 PHE 10 HD1 PHE 10 3.382 -11.260 -6.540
67 HD2 PHE 10 HD2 PHE 10 6.139 -10.841 -3.333
68 HE1 PHE 10 HE1 PHE 10 5.242 -11.425 -8.125
69 HE2 PHE 10 HE2 PHE 10 8.015 -11.008 -4.917
70 HZ PHE 10 HZ PHE 10 7.564 -11.299 -7.317
71 H CYS 11 H CYS 11 2.382 -7.791 -2.049
72 HA CYS 11 HA CYS 11 0.635 -7.177 -0.679
73 HB2 CYS 11 HB2 CYS 11 -1.015 -9.402 -1.928
74 HB3 CYS 11 HB1 CYS 11 -1.595 -8.011 -1.025
75 H GLN 12 H GLN 12 2.559 -9.621 -0.216
76 HA GLN 12 HA GLN 12 0.883 -11.186 1.575
77 HB2 GLN 12 HB2 GLN 12 3.718 -11.656 0.678
78 HB3 GLN 12 HB1 GLN 12 2.770 -12.752 1.678
79 HG2 GLN 12 HG2 GLN 12 1.154 -12.996 -0.108
80 HG3 GLN 12 HG1 GLN 12 2.087 -11.899 -1.124
81 HE21 GLN 12 1HE2 GLN 12 2.379 -13.421 -2.683
82 HE22 GLN 12 2HE2 GLN 12 3.442 -14.771 -2.526
83 H ASN 13 H ASN 13 2.748 -8.469 2.026
84 HA ASN 13 HA ASN 13 3.120 -9.254 4.840
85 HB2 ASN 13 HB2 ASN 13 5.216 -7.849 3.176
86 HB3 ASN 13 HB1 ASN 13 5.228 -7.799 4.927
87 HD21 ASN 13 HD21 ASN 13 7.200 -8.877 3.104
88 HD22 ASN 13 HD22 ASN 13 7.382 -10.546 3.494
89 H TYR 14 H TYR 14 1.290 -8.197 5.406
90 HA TYR 14 HA TYR 14 0.782 -5.467 4.837
91 HB2 TYR 14 HB2 TYR 14 -1.005 -7.057 5.370
92 HB3 TYR 14 HB1 TYR 14 -0.325 -7.283 6.974
93 HD1 TYR 14 HD1 TYR 14 -0.882 -5.842 8.737
94 HD2 TYR 14 HD2 TYR 14 -2.000 -4.814 4.776
95 HE1 TYR 14 HE1 TYR 14 -2.300 -4.059 9.614
96 HE2 TYR 14 HE2 TYR 14 -3.418 -3.019 5.645
97 HH TYR 14 HH TYR 14 -4.627 -2.483 7.821
98 H ILE 15 H ILE 15 1.762 -3.755 5.780
99 HA ILE 15 HA ILE 15 3.097 -4.201 8.365
100 HB ILE 15 HB ILE 15 4.521 -2.228 7.840
101 HG12 ILE 15 HG12 ILE 15 3.245 -2.434 5.099
102 HG13 ILE 15 HG11 ILE 15 3.000 -1.123 6.243
103 HG21 ILE 15 HG21 ILE 15 5.338 -4.468 7.467
104 HG22 ILE 15 HG22 ILE 15 5.936 -3.386 6.208
105 HG23 ILE 15 HG23 ILE 15 4.608 -4.494 5.862
106 HD11 ILE 15 HD11 ILE 15 5.603 -1.846 4.914
107 HD12 ILE 15 HD12 ILE 15 5.358 -0.520 6.051
108 HD13 ILE 15 HD13 ILE 15 4.549 -0.499 4.484
109 H GLY 16 H GLY 16 0.491 -2.518 6.983
110 HA2 GLY 16 HA2 GLY 16 -0.743 -1.640 9.146
111 HA3 GLY 16 HA1 GLY 16 0.512 -0.414 8.984
112 H SER 17 H SER 17 -1.732 0.761 8.816
113 HA SER 17 HA SER 17 -2.236 1.074 5.962
114 HB2 SER 17 HB2 SER 17 -4.658 1.426 6.510
115 HB3 SER 17 HB1 SER 17 -4.077 -0.206 6.827
116 HG SER 17 HG SER 17 -5.057 1.690 8.523
117 H ILE 18 H ILE 18 -2.190 3.136 5.285
118 HA ILE 18 HA ILE 18 -2.496 5.338 7.136
119 HB ILE 18 HB ILE 18 -0.336 6.379 6.289
120 HG12 ILE 18 HG12 ILE 18 0.250 3.520 5.487
121 HG13 ILE 18 HG11 ILE 18 0.098 4.900 4.408
122 HG21 ILE 18 HG21 ILE 18 1.110 5.251 7.932
123 HG22 ILE 18 HG22 ILE 18 -0.125 4.000 8.107
124 HG23 ILE 18 HG23 ILE 18 -0.485 5.663 8.562
125 HD11 ILE 18 HD11 ILE 18 2.418 4.281 4.729
126 HD12 ILE 18 HD12 ILE 18 2.244 4.483 6.473
127 HD13 ILE 18 HD13 ILE 18 2.103 5.882 5.404
128 HA PRO 19 HA PRO 19 -4.148 7.292 3.521
129 HB2 PRO 19 HB2 PRO 19 -2.614 9.751 4.058
130 HB3 PRO 19 HB1 PRO 19 -4.366 9.525 3.990
131 HG2 PRO 19 HG2 PRO 19 -3.106 9.925 6.310
132 HG3 PRO 19 HG1 PRO 19 -4.482 8.818 6.196
133 HD2 PRO 19 HD2 PRO 19 -1.561 8.206 6.327
134 HD3 PRO 19 HD1 PRO 19 -2.929 7.381 7.105
135 H ASP 20 H ASP 20 -0.814 8.503 3.889
136 HA ASP 20 HA ASP 20 -0.453 8.184 0.991
137 HB2 ASP 20 HB2 ASP 20 1.302 9.660 2.986
138 HB3 ASP 20 HB1 ASP 20 1.557 9.589 1.253
139 H CYS 21 H CYS 21 0.246 6.236 0.550
140 HA CYS 21 HA CYS 21 1.974 4.859 2.476
141 HB2 CYS 21 HB2 CYS 21 -0.170 3.806 1.830
142 HB3 CYS 21 HB1 CYS 21 0.392 3.727 0.167
143 H CYS 22 H CYS 22 2.216 6.463 -0.522
144 HA CYS 22 HA CYS 22 4.205 4.609 -1.465
145 HB2 CYS 22 HB2 CYS 22 2.840 6.889 -2.845
146 HB3 CYS 22 HB1 CYS 22 4.229 6.061 -3.551
147 H PHE 23 H PHE 23 4.616 6.667 0.753
148 HA PHE 23 HA PHE 23 6.966 8.008 -0.239
149 HB2 PHE 23 HB2 PHE 23 5.810 7.656 2.521
150 HB3 PHE 23 HB1 PHE 23 7.421 8.314 2.307
151 HD1 PHE 23 HD1 PHE 23 3.846 8.959 2.023
152 HD2 PHE 23 HD2 PHE 23 7.741 10.477 1.229
153 HE1 PHE 23 HE1 PHE 23 2.910 11.218 1.718
154 HE2 PHE 23 HE2 PHE 23 6.811 12.728 0.923
155 HZ PHE 23 HZ PHE 23 4.388 13.100 1.170
156 H GLY 24 H GLY 24 6.148 4.951 0.913
157 HA2 GLY 24 HA2 GLY 24 8.983 4.179 0.982
158 HA3 GLY 24 HA1 GLY 24 7.729 3.387 1.943
159 H ARG 25 H ARG 25 9.521 2.340 -0.200
160 HA ARG 25 HA ARG 25 7.767 1.823 -2.404
161 HB2 ARG 25 HB2 ARG 25 10.417 0.543 -1.712
162 HB3 ARG 25 HB1 ARG 25 9.499 0.260 -3.181
163 HG2 ARG 25 HG2 ARG 25 9.715 2.687 -3.700
164 HG3 ARG 25 HG1 ARG 25 10.816 2.817 -2.327
165 HD2 ARG 25 HD2 ARG 25 11.185 0.992 -4.702
166 HD3 ARG 25 HD1 ARG 25 12.013 2.525 -4.463
167 HE ARG 25 HE ARG 25 12.931 1.458 -2.396
168 HH11 ARG 25 HH11 ARG 25 11.989 -0.584 -5.163
169 HH12 ARG 25 HH12 ARG 25 13.211 -1.732 -4.910
170 HH21 ARG 25 HH21 ARG 25 14.613 -0.159 -2.071
171 HH22 ARG 25 HH22 ARG 25 14.728 -1.475 -3.144
172 H GLY 26 H GLY 26 6.312 0.311 -2.578
173 HA2 GLY 26 HA2 GLY 26 6.446 -2.281 -1.702
174 HA3 GLY 26 HA1 GLY 26 5.634 -1.358 -0.436
175 H SER 27 H SER 27 3.645 -2.314 -0.805
176 HA SER 27 HA SER 27 2.342 -1.488 -3.302
177 HB2 SER 27 HB2 SER 27 1.784 -4.075 -1.855
178 HB3 SER 27 HB1 SER 27 1.297 -3.602 -3.483
179 HG SER 27 HG SER 27 3.698 -4.506 -2.504
180 H TYR 28 H TYR 28 0.158 -0.880 -2.980
181 HA TYR 28 HA TYR 28 -0.850 -1.134 -0.263
182 HB2 TYR 28 HB2 TYR 28 -1.658 1.123 -0.165
183 HB3 TYR 28 HB1 TYR 28 0.051 1.193 -0.548
184 HD1 TYR 28 HD1 TYR 28 -3.328 1.928 -1.684
185 HD2 TYR 28 HD2 TYR 28 0.773 1.913 -2.832
186 HE1 TYR 28 HE1 TYR 28 -3.861 3.365 -3.578
187 HE2 TYR 28 HE2 TYR 28 0.267 3.342 -4.720
188 HH TYR 28 HH TYR 28 -1.709 3.921 -6.134
189 H SER 29 H SER 29 -3.066 -1.280 -0.122
190 HA SER 29 HA SER 29 -4.571 -1.250 -2.606
191 HB2 SER 29 HB2 SER 29 -5.625 -3.430 -1.958
192 HB3 SER 29 HB1 SER 29 -3.913 -3.577 -2.357
193 HG SER 29 HG SER 29 -5.159 -4.220 -0.078
194 H PHE 30 H PHE 30 -6.969 -1.489 -2.025
195 HA PHE 30 HA PHE 30 -7.468 -0.137 0.523
196 HB2 PHE 30 HB2 PHE 30 -9.038 0.002 -2.077
197 HB3 PHE 30 HB1 PHE 30 -9.512 0.787 -0.571
198 HD1 PHE 30 HD1 PHE 30 -7.789 2.423 0.459
199 HD2 PHE 30 HD2 PHE 30 -7.716 1.165 -3.600
200 HE1 PHE 30 HE1 PHE 30 -6.427 4.376 -0.115
201 HE2 PHE 30 HE2 PHE 30 -6.346 3.122 -4.181
202 HZ PHE 30 HZ PHE 30 -5.697 4.730 -2.426
203 H GLU 31 H GLU 31 -7.118 -2.898 -0.134
204 HA GLU 31 HA GLU 31 -9.544 -4.020 1.013
205 HB2 GLU 31 HB2 GLU 31 -9.710 -4.226 -1.451
206 HB3 GLU 31 HB1 GLU 31 -8.157 -5.037 -1.473
207 HG2 GLU 31 HG2 GLU 31 -9.104 -6.881 -0.199
208 HG3 GLU 31 HG1 GLU 31 -10.667 -6.057 -0.177
209 H LEU 32 H LEU 32 -9.032 -5.803 2.328
210 HA LEU 32 HA LEU 32 -6.206 -6.140 2.894
211 HB2 LEU 32 HB2 LEU 32 -8.675 -7.140 4.312
212 HB3 LEU 32 HB1 LEU 32 -7.047 -7.538 4.806
213 HG LEU 32 HG LEU 32 -8.184 -4.737 4.746
214 HD11 LEU 32 HD11 LEU 32 -9.247 -6.123 6.441
215 HD12 LEU 32 HD12 LEU 32 -8.170 -4.928 7.175
216 HD13 LEU 32 HD13 LEU 32 -7.660 -6.612 7.039
217 HD21 LEU 32 HD21 LEU 32 -5.757 -4.812 4.428
218 HD22 LEU 32 HD22 LEU 32 -5.602 -5.822 5.866
219 HD23 LEU 32 HD23 LEU 32 -6.181 -4.166 6.009
220 H GLN 33 H GLN 33 -5.097 -7.932 2.600
221 HA GLN 33 HA GLN 33 -4.377 -9.709 1.461
222 HB2 GLN 33 HB2 GLN 33 -6.912 -10.866 2.624
223 HB3 GLN 33 HB1 GLN 33 -5.643 -11.829 1.877
224 HG2 GLN 33 HG2 GLN 33 -5.298 -10.050 4.280
225 HG3 GLN 33 HG1 GLN 33 -5.470 -11.805 4.312
226 HE21 GLN 33 1HE2 GLN 33 -3.254 -9.989 5.088
227 HE22 GLN 33 2HE2 GLN 33 -1.875 -10.601 4.255
228 HA PRO 34 HA PRO 34 -6.898 -9.512 -2.327
229 HB2 PRO 34 HB2 PRO 34 -5.563 -7.492 -3.602
230 HB3 PRO 34 HB1 PRO 34 -6.934 -7.219 -2.526
231 HG2 PRO 34 HG2 PRO 34 -4.168 -6.484 -2.120
232 HG3 PRO 34 HG1 PRO 34 -5.560 -6.132 -1.090
233 HD2 PRO 34 HD2 PRO 34 -3.550 -8.291 -0.864
234 HD3 PRO 34 HD1 PRO 34 -4.593 -7.583 0.392
235 HA PRO 35 HA PRO 35 -3.896 -11.762 -4.864
236 HB2 PRO 35 HB2 PRO 35 -4.832 -10.242 -7.219
237 HB3 PRO 35 HB1 PRO 35 -4.834 -11.984 -6.947
238 HG2 PRO 35 HG2 PRO 35 -7.075 -10.500 -6.906
239 HG3 PRO 35 HG1 PRO 35 -6.879 -11.950 -5.899
240 HD2 PRO 35 HD2 PRO 35 -6.790 -9.073 -5.142
241 HD3 PRO 35 HD1 PRO 35 -7.314 -10.481 -4.200
242 HA PRO 36 HA PRO 36 -0.360 -9.100 -5.013
243 HB2 PRO 36 HB2 PRO 36 1.011 -10.252 -7.147
244 HB3 PRO 36 HB1 PRO 36 1.079 -10.792 -5.468
245 HG2 PRO 36 HG2 PRO 36 -0.546 -11.856 -7.733
246 HG3 PRO 36 HG1 PRO 36 0.269 -12.722 -6.418
247 HD2 PRO 36 HD2 PRO 36 -2.377 -12.341 -6.405
248 HD3 PRO 36 HD1 PRO 36 -1.435 -12.276 -4.901
249 H TRP 37 H TRP 37 -2.003 -9.684 -8.031
250 HA TRP 37 HA TRP 37 -0.755 -7.472 -9.381
251 HB2 TRP 37 HB2 TRP 37 -2.365 -8.036 -11.223
252 HB3 TRP 37 HB1 TRP 37 -1.291 -9.343 -10.752
253 HD1 TRP 37 HD TRP 37 -5.004 -8.257 -10.342
254 HE1 TRP 37 HE1 TRP 37 -6.415 -10.376 -10.036
255 HE3 TRP 37 3HE TRP 37 -1.253 -11.738 -10.052
256 HZ2 TRP 37 HZ2 TRP 37 -6.022 -13.126 -9.690
257 HZ3 TRP 37 HZ3 TRP 37 -1.871 -14.092 -9.719
258 HH2 TRP 37 HH TRP 37 -4.206 -14.771 -9.543
259 H GLU 38 H GLU 38 -3.239 -7.688 -7.169
260 HA GLU 38 HA GLU 38 -4.832 -5.611 -8.390
261 HB2 GLU 38 HB2 GLU 38 -5.233 -7.255 -5.908
262 HB3 GLU 38 HB1 GLU 38 -6.331 -5.979 -6.418
263 HG2 GLU 38 HG2 GLU 38 -5.610 -8.340 -8.128
264 HG3 GLU 38 HG1 GLU 38 -7.015 -8.316 -7.079
265 H CYS 39 H CYS 39 -2.481 -5.991 -5.835
266 HA CYS 39 HA CYS 39 -3.057 -3.520 -4.532
267 HB2 CYS 39 HB2 CYS 39 -0.465 -5.089 -4.608
268 HB3 CYS 39 HB1 CYS 39 -0.779 -3.700 -3.578
269 H TYR 40 H TYR 40 -2.165 -1.524 -4.831
270 HA TYR 40 HA TYR 40 -1.046 -0.997 -7.454
271 HB2 TYR 40 HB2 TYR 40 -1.619 0.917 -5.176
272 HB3 TYR 40 HB1 TYR 40 -1.355 1.328 -6.860
273 HD1 TYR 40 HD1 TYR 40 -3.749 0.091 -4.399
274 HD2 TYR 40 HD2 TYR 40 -3.152 1.022 -8.499
275 HE1 TYR 40 HE1 TYR 40 -6.177 0.063 -4.748
276 HE2 TYR 40 HE2 TYR 40 -5.567 0.997 -8.865
277 HH TYR 40 HH TYR 40 -7.552 -0.012 -7.811
278 H GLN 41 H GLN 41 1.112 -0.307 -7.658
279 HA GLN 41 HA GLN 41 2.691 -0.884 -5.272
280 HB2 GLN 41 HB2 GLN 41 3.617 -0.813 -8.134
281 HB3 GLN 41 HB1 GLN 41 4.538 -1.371 -6.744
282 HG2 GLN 41 HG2 GLN 41 2.816 -3.142 -6.407
283 HG3 GLN 41 HG1 GLN 41 2.082 -2.638 -7.927
284 HE21 GLN 41 1HE2 GLN 41 4.685 -4.220 -6.417
285 HE22 GLN 41 2HE2 GLN 41 5.414 -4.878 -7.837
286 H CYS 42 H CYS 42 4.226 0.439 -4.529
287 HA CYS 42 HA CYS 42 4.070 3.170 -5.458
288 HB2 CYS 42 HB2 CYS 42 5.186 1.990 -2.906
289 HB3 CYS 42 HB1 CYS 42 5.195 3.707 -3.300
Start of MODEL 16
1 H PCA 1 H PGL 1 -10.159 4.314 2.838
2 HA PCA 1 HA PGL 1 -9.689 6.397 1.385
3 HB2 PCA 1 HB1 PGL 1 -10.058 8.364 2.470
4 HB3 PCA 1 HB2 PGL 1 -8.827 7.944 3.693
5 HG2 PCA 1 HG1 PGL 1 -11.745 7.759 3.889
6 HG3 PCA 1 HG2 PGL 1 -10.508 7.541 5.172
7 H GLU 2 H GLU 2 -8.229 4.884 4.138
8 HA GLU 2 HA GLU 2 -5.582 5.657 3.275
9 HB2 GLU 2 HB2 GLU 2 -6.534 4.036 5.637
10 HB3 GLU 2 HB1 GLU 2 -4.841 4.312 5.261
11 HG2 GLU 2 HG2 GLU 2 -5.088 6.670 5.544
12 HG3 GLU 2 HG1 GLU 2 -6.829 6.513 5.745
13 H ALA 3 H ALA 3 -3.984 4.152 2.751
14 HA ALA 3 HA ALA 3 -5.129 1.869 1.367
15 HB1 ALA 3 HB1 ALA 3 -2.500 3.274 0.907
16 HB2 ALA 3 HB2 ALA 3 -3.980 3.552 -0.006
17 HB3 ALA 3 HB3 ALA 3 -3.199 1.974 -0.068
18 H PHE 4 H PHE 4 -4.324 -0.098 1.695
19 HA PHE 4 HA PHE 4 -2.852 -0.489 4.146
20 HB2 PHE 4 HB2 PHE 4 -4.111 -2.494 2.249
21 HB3 PHE 4 HB1 PHE 4 -3.455 -2.867 3.837
22 HD1 PHE 4 HD1 PHE 4 -4.589 -1.893 5.882
23 HD2 PHE 4 HD2 PHE 4 -6.308 -1.681 2.000
24 HE1 PHE 4 HE1 PHE 4 -6.776 -1.411 6.882
25 HE2 PHE 4 HE2 PHE 4 -8.507 -1.201 3.003
26 HZ PHE 4 HZ PHE 4 -8.740 -1.065 5.443
27 H CYS 5 H CYS 5 -0.780 -0.874 4.192
28 HA CYS 5 HA CYS 5 0.662 -0.904 1.677
29 HB2 CYS 5 HB2 CYS 5 1.455 -0.263 4.501
30 HB3 CYS 5 HB1 CYS 5 2.571 -0.229 3.146
31 H TYR 6 H TYR 6 1.679 -2.597 0.994
32 HA TYR 6 HA TYR 6 2.529 -4.680 2.877
33 HB2 TYR 6 HB2 TYR 6 1.660 -5.256 0.032
34 HB3 TYR 6 HB1 TYR 6 2.026 -6.386 1.304
35 HD1 TYR 6 HD1 TYR 6 -0.522 -4.104 0.019
36 HD2 TYR 6 HD2 TYR 6 0.427 -6.942 3.024
37 HE1 TYR 6 HE1 TYR 6 -2.864 -4.215 0.631
38 HE2 TYR 6 HE2 TYR 6 -1.921 -7.062 3.666
39 HH TYR 6 HH TYR 6 -4.408 -5.570 1.732
40 H SER 7 H SER 7 4.565 -4.767 2.886
41 HA SER 7 HA SER 7 6.216 -3.295 1.150
42 HB2 SER 7 HB2 SER 7 7.962 -4.555 2.481
43 HB3 SER 7 HB1 SER 7 6.778 -3.603 3.399
44 HG SER 7 HG SER 7 7.280 -6.065 3.827
45 H ASP 8 H ASP 8 5.337 -6.608 1.476
46 HA ASP 8 HA ASP 8 6.966 -7.615 -0.643
47 HB2 ASP 8 HB2 ASP 8 6.223 -9.167 1.023
48 HB3 ASP 8 HB1 ASP 8 4.544 -8.710 0.783
49 H ARG 9 H ARG 9 6.538 -7.669 -2.781
50 HA ARG 9 HA ARG 9 4.431 -6.002 -3.732
51 HB2 ARG 9 HB2 ARG 9 6.758 -7.345 -5.021
52 HB3 ARG 9 HB1 ARG 9 5.447 -6.774 -6.034
53 HG2 ARG 9 HG2 ARG 9 7.210 -5.115 -5.939
54 HG3 ARG 9 HG1 ARG 9 5.760 -4.505 -5.167
55 HD2 ARG 9 HD2 ARG 9 6.748 -4.972 -2.960
56 HD3 ARG 9 HD1 ARG 9 8.201 -5.589 -3.752
57 HE ARG 9 HE ARG 9 7.751 -3.056 -4.754
58 HH11 ARG 9 HH11 ARG 9 8.539 -4.410 -1.568
59 HH12 ARG 9 HH12 ARG 9 9.428 -3.060 -1.051
60 HH21 ARG 9 HH21 ARG 9 8.922 -1.178 -4.013
61 HH22 ARG 9 HH22 ARG 9 9.631 -1.162 -2.463
62 H PHE 10 H PHE 10 4.213 -9.105 -2.815
63 HA PHE 10 HA PHE 10 2.274 -9.744 -4.900
64 HB2 PHE 10 HB2 PHE 10 3.563 -11.568 -2.863
65 HB3 PHE 10 HB1 PHE 10 2.501 -12.069 -4.169
66 HD1 PHE 10 HD1 PHE 10 3.287 -11.921 -6.502
67 HD2 PHE 10 HD2 PHE 10 5.861 -11.175 -3.200
68 HE1 PHE 10 HE1 PHE 10 5.226 -12.185 -7.954
69 HE2 PHE 10 HE2 PHE 10 7.811 -11.441 -4.654
70 HZ PHE 10 HZ PHE 10 7.493 -11.948 -7.048
71 H CYS 11 H CYS 11 2.385 -8.114 -2.239
72 HA CYS 11 HA CYS 11 0.810 -7.328 -0.775
73 HB2 CYS 11 HB2 CYS 11 -1.069 -9.458 -1.838
74 HB3 CYS 11 HB1 CYS 11 -1.504 -7.991 -0.974
75 H GLN 12 H GLN 12 2.576 -9.864 -0.322
76 HA GLN 12 HA GLN 12 0.964 -11.405 1.547
77 HB2 GLN 12 HB2 GLN 12 3.867 -11.710 0.845
78 HB3 GLN 12 HB1 GLN 12 2.872 -12.865 1.718
79 HG2 GLN 12 HG2 GLN 12 1.564 -13.297 -0.220
80 HG3 GLN 12 HG1 GLN 12 2.352 -11.989 -1.104
81 HE21 GLN 12 1HE2 GLN 12 4.555 -12.218 -1.609
82 HE22 GLN 12 2HE2 GLN 12 5.246 -13.786 -1.825
83 H ASN 13 H ASN 13 2.901 -8.634 1.888
84 HA ASN 13 HA ASN 13 3.296 -9.354 4.717
85 HB2 ASN 13 HB2 ASN 13 5.350 -7.937 3.006
86 HB3 ASN 13 HB1 ASN 13 5.423 -7.994 4.754
87 HD21 ASN 13 HD21 ASN 13 7.329 -8.942 2.839
88 HD22 ASN 13 HD22 ASN 13 7.538 -10.626 3.063
89 H TYR 14 H TYR 14 1.578 -8.250 5.414
90 HA TYR 14 HA TYR 14 1.066 -5.541 4.745
91 HB2 TYR 14 HB2 TYR 14 -0.723 -7.025 5.467
92 HB3 TYR 14 HB1 TYR 14 0.071 -7.274 7.013
93 HD1 TYR 14 HD1 TYR 14 -1.491 -4.618 4.912
94 HD2 TYR 14 HD2 TYR 14 -0.459 -5.924 8.822
95 HE1 TYR 14 HE1 TYR 14 -2.755 -2.756 5.863
96 HE2 TYR 14 HE2 TYR 14 -1.729 -4.079 9.782
97 HH TYR 14 HH TYR 14 -3.919 -2.243 8.100
98 H ILE 15 H ILE 15 2.091 -3.800 5.556
99 HA ILE 15 HA ILE 15 3.567 -4.154 8.065
100 HB ILE 15 HB ILE 15 4.944 -2.168 7.420
101 HG12 ILE 15 HG12 ILE 15 3.623 -2.525 4.709
102 HG13 ILE 15 HG11 ILE 15 3.354 -1.170 5.796
103 HG21 ILE 15 HG21 ILE 15 5.028 -4.532 5.559
104 HG22 ILE 15 HG22 ILE 15 5.804 -4.402 7.137
105 HG23 ILE 15 HG23 ILE 15 6.341 -3.381 5.805
106 HD11 ILE 15 HD11 ILE 15 5.697 -0.512 5.547
107 HD12 ILE 15 HD12 ILE 15 4.873 -0.579 3.989
108 HD13 ILE 15 HD13 ILE 15 5.965 -1.879 4.466
109 H GLY 16 H GLY 16 1.140 -2.187 6.519
110 HA2 GLY 16 HA2 GLY 16 -0.048 -1.368 8.822
111 HA3 GLY 16 HA1 GLY 16 1.157 -0.131 8.460
112 H SER 17 H SER 17 -0.975 1.100 8.296
113 HA SER 17 HA SER 17 -1.645 1.194 5.489
114 HB2 SER 17 HB2 SER 17 -4.104 1.503 6.212
115 HB3 SER 17 HB1 SER 17 -3.446 -0.133 6.227
116 HG SER 17 HG SER 17 -4.254 1.495 8.288
117 H ILE 18 H ILE 18 -1.796 3.214 4.738
118 HA ILE 18 HA ILE 18 -2.124 5.459 6.535
119 HB ILE 18 HB ILE 18 -0.100 6.609 5.499
120 HG12 ILE 18 HG12 ILE 18 0.606 3.777 4.690
121 HG13 ILE 18 HG11 ILE 18 0.278 5.125 3.610
122 HG21 ILE 18 HG21 ILE 18 1.528 5.633 7.026
123 HG22 ILE 18 HG22 ILE 18 0.460 4.254 7.270
124 HG23 ILE 18 HG23 ILE 18 -0.048 5.862 7.791
125 HD11 ILE 18 HD11 ILE 18 2.602 4.929 5.518
126 HD12 ILE 18 HD12 ILE 18 2.300 6.251 4.389
127 HD13 ILE 18 HD13 ILE 18 2.673 4.639 3.782
128 HA PRO 19 HA PRO 19 -4.398 7.301 3.194
129 HB2 PRO 19 HB2 PRO 19 -2.562 9.647 3.420
130 HB3 PRO 19 HB1 PRO 19 -4.329 9.607 3.398
131 HG2 PRO 19 HG2 PRO 19 -3.067 9.970 5.690
132 HG3 PRO 19 HG1 PRO 19 -4.472 8.895 5.609
133 HD2 PRO 19 HD2 PRO 19 -1.571 8.200 5.774
134 HD3 PRO 19 HD1 PRO 19 -2.980 7.415 6.519
135 H ASP 20 H ASP 20 -1.041 8.454 2.812
136 HA ASP 20 HA ASP 20 -1.165 7.458 0.061
137 HB2 ASP 20 HB2 ASP 20 -0.725 9.903 0.235
138 HB3 ASP 20 HB1 ASP 20 0.709 9.548 1.199
139 H CYS 21 H CYS 21 -0.205 5.611 -0.138
140 HA CYS 21 HA CYS 21 1.569 4.722 1.953
141 HB2 CYS 21 HB2 CYS 21 -0.288 3.310 1.135
142 HB3 CYS 21 HB1 CYS 21 0.485 3.238 -0.440
143 H CYS 22 H CYS 22 2.159 6.567 -0.650
144 HA CYS 22 HA CYS 22 4.302 5.016 -1.706
145 HB2 CYS 22 HB2 CYS 22 3.468 7.859 -2.289
146 HB3 CYS 22 HB1 CYS 22 4.730 6.979 -3.155
147 H PHE 23 H PHE 23 3.911 7.002 0.930
148 HA PHE 23 HA PHE 23 6.656 7.797 1.193
149 HB2 PHE 23 HB2 PHE 23 4.425 7.631 3.231
150 HB3 PHE 23 HB1 PHE 23 6.031 8.246 3.589
151 HD1 PHE 23 HD1 PHE 23 6.809 10.340 2.520
152 HD2 PHE 23 HD2 PHE 23 2.798 8.968 2.134
153 HE1 PHE 23 HE1 PHE 23 6.105 12.594 1.835
154 HE2 PHE 23 HE2 PHE 23 2.098 11.217 1.447
155 HZ PHE 23 HZ PHE 23 3.745 13.034 1.298
156 H GLY 24 H GLY 24 4.828 4.960 1.770
157 HA2 GLY 24 HA2 GLY 24 7.107 3.713 3.135
158 HA3 GLY 24 HA1 GLY 24 5.424 3.239 3.407
159 H ARG 25 H ARG 25 7.922 3.504 1.008
160 HA ARG 25 HA ARG 25 6.732 2.585 -1.247
161 HB2 ARG 25 HB2 ARG 25 9.545 2.240 -0.331
162 HB3 ARG 25 HB1 ARG 25 9.030 1.732 -1.926
163 HG2 ARG 25 HG2 ARG 25 8.300 4.065 -2.361
164 HG3 ARG 25 HG1 ARG 25 8.965 4.520 -0.789
165 HD2 ARG 25 HD2 ARG 25 10.562 4.998 -2.567
166 HD3 ARG 25 HD1 ARG 25 11.162 3.729 -1.497
167 HE ARG 25 HE ARG 25 9.813 2.549 -3.646
168 HH11 ARG 25 HH11 ARG 25 12.842 4.286 -2.995
169 HH12 ARG 25 HH12 ARG 25 13.667 3.631 -4.328
170 HH21 ARG 25 HH21 ARG 25 10.968 1.644 -5.465
171 HH22 ARG 25 HH22 ARG 25 12.585 2.099 -5.757
172 H GLY 26 H GLY 26 5.864 0.904 -1.979
173 HA2 GLY 26 HA2 GLY 26 6.623 -1.656 -1.963
174 HA3 GLY 26 HA1 GLY 26 5.668 -1.489 -0.487
175 H SER 27 H SER 27 3.872 -2.562 -1.121
176 HA SER 27 HA SER 27 2.506 -1.672 -3.562
177 HB2 SER 27 HB2 SER 27 1.833 -4.135 -1.969
178 HB3 SER 27 HB1 SER 27 1.597 -3.770 -3.686
179 HG SER 27 HG SER 27 3.821 -4.697 -2.349
180 H TYR 28 H TYR 28 0.262 -1.115 -3.312
181 HA TYR 28 HA TYR 28 -0.766 -1.210 -0.589
182 HB2 TYR 28 HB2 TYR 28 -1.567 1.061 -0.609
183 HB3 TYR 28 HB1 TYR 28 0.158 1.047 -0.889
184 HD1 TYR 28 HD1 TYR 28 1.061 1.660 -3.142
185 HD2 TYR 28 HD2 TYR 28 -3.106 1.924 -2.270
186 HE1 TYR 28 HE1 TYR 28 0.748 3.088 -5.071
187 HE2 TYR 28 HE2 TYR 28 -3.418 3.365 -4.227
188 HH TYR 28 HH TYR 28 -0.966 3.747 -6.572
189 H SER 29 H SER 29 -2.899 -1.523 -0.392
190 HA SER 29 HA SER 29 -4.524 -1.478 -2.820
191 HB2 SER 29 HB2 SER 29 -5.625 -3.568 -2.040
192 HB3 SER 29 HB1 SER 29 -3.914 -3.816 -2.404
193 HG SER 29 HG SER 29 -5.206 -4.208 -0.062
194 H PHE 30 H PHE 30 -6.914 -1.590 -2.093
195 HA PHE 30 HA PHE 30 -7.140 0.033 0.323
196 HB2 PHE 30 HB2 PHE 30 -8.832 0.041 -2.185
197 HB3 PHE 30 HB1 PHE 30 -9.248 0.919 -0.714
198 HD1 PHE 30 HD1 PHE 30 -7.846 2.800 0.051
199 HD2 PHE 30 HD2 PHE 30 -7.142 0.855 -3.667
200 HE1 PHE 30 HE1 PHE 30 -6.461 4.693 -0.672
201 HE2 PHE 30 HE2 PHE 30 -5.752 2.746 -4.397
202 HZ PHE 30 HZ PHE 30 -5.409 4.671 -2.894
203 H GLU 31 H GLU 31 -7.099 -2.866 -0.013
204 HA GLU 31 HA GLU 31 -9.263 -3.416 1.777
205 HB2 GLU 31 HB2 GLU 31 -10.114 -5.346 0.527
206 HB3 GLU 31 HB1 GLU 31 -10.336 -3.867 -0.391
207 HG2 GLU 31 HG2 GLU 31 -8.403 -4.417 -1.762
208 HG3 GLU 31 HG1 GLU 31 -8.150 -5.887 -0.822
209 H LEU 32 H LEU 32 -8.921 -5.435 2.869
210 HA LEU 32 HA LEU 32 -6.115 -6.124 3.028
211 HB2 LEU 32 HB2 LEU 32 -8.501 -6.904 4.679
212 HB3 LEU 32 HB1 LEU 32 -6.895 -7.539 4.950
213 HG LEU 32 HG LEU 32 -7.635 -4.617 5.144
214 HD11 LEU 32 HD11 LEU 32 -7.411 -4.949 7.546
215 HD12 LEU 32 HD12 LEU 32 -7.133 -6.668 7.286
216 HD13 LEU 32 HD13 LEU 32 -8.700 -5.960 6.890
217 HD21 LEU 32 HD21 LEU 32 -5.436 -4.418 6.217
218 HD22 LEU 32 HD22 LEU 32 -5.299 -4.963 4.552
219 HD23 LEU 32 HD23 LEU 32 -5.117 -6.118 5.873
220 H GLN 33 H GLN 33 -5.374 -8.268 3.014
221 HA GLN 33 HA GLN 33 -4.978 -10.208 1.984
222 HB2 GLN 33 HB2 GLN 33 -7.945 -10.624 2.392
223 HB3 GLN 33 HB1 GLN 33 -6.788 -11.885 2.005
224 HG2 GLN 33 HG2 GLN 33 -5.654 -11.558 4.108
225 HG3 GLN 33 HG1 GLN 33 -6.693 -10.186 4.484
226 HE21 GLN 33 1HE2 GLN 33 -7.868 -13.128 2.991
227 HE22 GLN 33 2HE2 GLN 33 -8.796 -13.647 4.341
228 HA PRO 34 HA PRO 34 -6.512 -9.248 -2.234
229 HB2 PRO 34 HB2 PRO 34 -4.719 -7.391 -3.032
230 HB3 PRO 34 HB1 PRO 34 -6.178 -6.977 -2.128
231 HG2 PRO 34 HG2 PRO 34 -3.408 -6.819 -1.257
232 HG3 PRO 34 HG1 PRO 34 -4.860 -6.239 -0.432
233 HD2 PRO 34 HD2 PRO 34 -3.368 -8.764 -0.049
234 HD3 PRO 34 HD1 PRO 34 -4.493 -7.940 1.055
235 HA PRO 35 HA PRO 35 -3.195 -11.616 -4.153
236 HB2 PRO 35 HB2 PRO 35 -4.075 -11.581 -6.718
237 HB3 PRO 35 HB1 PRO 35 -4.855 -12.572 -5.482
238 HG2 PRO 35 HG2 PRO 35 -5.702 -9.964 -6.635
239 HG3 PRO 35 HG1 PRO 35 -6.690 -11.349 -6.149
240 HD2 PRO 35 HD2 PRO 35 -6.332 -9.060 -4.637
241 HD3 PRO 35 HD1 PRO 35 -6.823 -10.636 -3.990
242 HA PRO 36 HA PRO 36 0.032 -8.866 -5.417
243 HB2 PRO 36 HB2 PRO 36 0.169 -10.276 -8.021
244 HB3 PRO 36 HB1 PRO 36 1.454 -9.935 -6.867
245 HG2 PRO 36 HG2 PRO 36 0.276 -12.370 -7.140
246 HG3 PRO 36 HG1 PRO 36 1.011 -11.804 -5.639
247 HD2 PRO 36 HD2 PRO 36 -1.803 -12.261 -6.268
248 HD3 PRO 36 HD1 PRO 36 -1.037 -11.997 -4.695
249 H TRP 37 H TRP 37 -2.128 -9.612 -8.076
250 HA TRP 37 HA TRP 37 -1.466 -7.271 -9.534
251 HB2 TRP 37 HB2 TRP 37 -3.368 -8.061 -11.049
252 HB3 TRP 37 HB1 TRP 37 -1.951 -9.090 -10.894
253 HD1 TRP 37 HD TRP 37 -5.680 -8.983 -10.087
254 HE1 TRP 37 HE1 TRP 37 -6.435 -11.372 -9.386
255 HE3 TRP 37 3HE TRP 37 -1.100 -11.273 -9.770
256 HZ2 TRP 37 HZ2 TRP 37 -5.255 -13.847 -8.797
257 HZ3 TRP 37 HZ3 TRP 37 -1.016 -13.642 -9.138
258 HH2 TRP 37 HH TRP 37 -3.052 -14.897 -8.660
259 H GLU 38 H GLU 38 -3.455 -7.567 -6.875
260 HA GLU 38 HA GLU 38 -5.004 -5.342 -7.886
261 HB2 GLU 38 HB2 GLU 38 -5.643 -7.197 -5.609
262 HB3 GLU 38 HB1 GLU 38 -6.534 -5.709 -5.917
263 HG2 GLU 38 HG2 GLU 38 -6.986 -6.561 -8.225
264 HG3 GLU 38 HG1 GLU 38 -6.294 -8.100 -7.726
265 H CYS 39 H CYS 39 -2.305 -5.832 -6.193
266 HA CYS 39 HA CYS 39 -2.710 -3.466 -4.533
267 HB2 CYS 39 HB2 CYS 39 -0.315 -5.316 -4.767
268 HB3 CYS 39 HB1 CYS 39 -0.390 -3.880 -3.752
269 H TYR 40 H TYR 40 -1.922 -1.546 -5.091
270 HA TYR 40 HA TYR 40 -0.758 -1.242 -7.738
271 HB2 TYR 40 HB2 TYR 40 -1.420 0.865 -5.662
272 HB3 TYR 40 HB1 TYR 40 -1.068 1.141 -7.357
273 HD1 TYR 40 HD1 TYR 40 -2.758 0.611 -9.071
274 HD2 TYR 40 HD2 TYR 40 -3.601 0.157 -4.925
275 HE1 TYR 40 HE1 TYR 40 -5.154 0.539 -9.566
276 HE2 TYR 40 HE2 TYR 40 -5.998 0.077 -5.415
277 HH TYR 40 HH TYR 40 -7.204 -0.373 -8.515
278 H GLN 41 H GLN 41 1.298 -0.101 -7.981
279 HA GLN 41 HA GLN 41 3.020 -0.575 -5.657
280 HB2 GLN 41 HB2 GLN 41 3.669 -0.492 -8.600
281 HB3 GLN 41 HB1 GLN 41 4.876 -0.615 -7.330
282 HG2 GLN 41 HG2 GLN 41 2.698 -2.609 -7.890
283 HG3 GLN 41 HG1 GLN 41 4.399 -2.772 -8.333
284 HE21 GLN 41 1HE2 GLN 41 2.780 -4.462 -6.628
285 HE22 GLN 41 2HE2 GLN 41 3.542 -4.419 -5.068
286 H CYS 42 H CYS 42 3.990 1.172 -4.732
287 HA CYS 42 HA CYS 42 3.689 3.722 -6.043
288 HB2 CYS 42 HB2 CYS 42 4.685 2.961 -3.310
289 HB3 CYS 42 HB1 CYS 42 4.925 4.582 -3.948
Start of MODEL 17
1 H PCA 1 H PGL 1 -8.648 6.502 1.543
2 HA PCA 1 HA PGL 1 -8.272 8.093 3.482
3 HB2 PCA 1 HB1 PGL 1 -10.072 8.132 4.881
4 HB3 PCA 1 HB2 PGL 1 -9.577 6.527 5.485
5 HG2 PCA 1 HG1 PGL 1 -11.824 7.166 3.771
6 HG3 PCA 1 HG2 PGL 1 -11.294 5.557 4.375
7 H GLU 2 H GLU 2 -8.314 4.645 3.208
8 HA GLU 2 HA GLU 2 -5.776 4.564 4.622
9 HB2 GLU 2 HB2 GLU 2 -8.044 2.633 5.042
10 HB3 GLU 2 HB1 GLU 2 -6.393 2.313 5.534
11 HG2 GLU 2 HG2 GLU 2 -6.521 4.378 6.939
12 HG3 GLU 2 HG1 GLU 2 -8.245 4.435 6.565
13 H ALA 3 H ALA 3 -4.354 3.987 3.234
14 HA ALA 3 HA ALA 3 -4.965 1.946 1.260
15 HB1 ALA 3 HB1 ALA 3 -2.624 3.842 1.580
16 HB2 ALA 3 HB2 ALA 3 -3.924 3.994 0.400
17 HB3 ALA 3 HB3 ALA 3 -2.785 2.654 0.289
18 H PHE 4 H PHE 4 -4.315 -0.032 1.733
19 HA PHE 4 HA PHE 4 -2.887 -0.507 4.188
20 HB2 PHE 4 HB2 PHE 4 -4.081 -2.413 2.156
21 HB3 PHE 4 HB1 PHE 4 -3.367 -2.903 3.688
22 HD1 PHE 4 HD1 PHE 4 -4.630 -2.837 5.682
23 HD2 PHE 4 HD2 PHE 4 -6.135 -0.979 2.180
24 HE1 PHE 4 HE1 PHE 4 -6.798 -2.523 6.785
25 HE2 PHE 4 HE2 PHE 4 -8.308 -0.668 3.276
26 HZ PHE 4 HZ PHE 4 -8.639 -1.444 5.579
27 H CYS 5 H CYS 5 -0.786 -0.510 4.231
28 HA CYS 5 HA CYS 5 0.705 -0.713 1.774
29 HB2 CYS 5 HB2 CYS 5 1.580 -0.056 4.585
30 HB3 CYS 5 HB1 CYS 5 2.587 0.049 3.146
31 H TYR 6 H TYR 6 1.590 -2.479 1.131
32 HA TYR 6 HA TYR 6 2.470 -4.551 3.054
33 HB2 TYR 6 HB2 TYR 6 1.794 -4.907 0.136
34 HB3 TYR 6 HB1 TYR 6 2.178 -6.158 1.290
35 HD1 TYR 6 HD1 TYR 6 -0.453 -3.835 0.192
36 HD2 TYR 6 HD2 TYR 6 0.539 -7.020 2.810
37 HE1 TYR 6 HE1 TYR 6 -2.815 -4.151 0.695
38 HE2 TYR 6 HE2 TYR 6 -1.799 -7.338 3.332
39 HH TYR 6 HH TYR 6 -4.337 -5.698 1.591
40 H SER 7 H SER 7 4.525 -4.504 3.227
41 HA SER 7 HA SER 7 6.311 -3.095 1.545
42 HB2 SER 7 HB2 SER 7 6.778 -5.356 3.456
43 HB3 SER 7 HB1 SER 7 8.061 -4.287 2.844
44 HG SER 7 HG SER 7 6.922 -2.564 3.847
45 H ASP 8 H ASP 8 5.139 -6.303 1.642
46 HA ASP 8 HA ASP 8 6.850 -7.460 -0.333
47 HB2 ASP 8 HB2 ASP 8 5.794 -8.855 1.347
48 HB3 ASP 8 HB1 ASP 8 4.206 -8.287 0.866
49 H ARG 9 H ARG 9 6.589 -7.385 -2.490
50 HA ARG 9 HA ARG 9 4.689 -5.541 -3.552
51 HB2 ARG 9 HB2 ARG 9 6.661 -7.313 -4.994
52 HB3 ARG 9 HB1 ARG 9 5.762 -5.987 -5.707
53 HG2 ARG 9 HG2 ARG 9 7.800 -5.712 -3.500
54 HG3 ARG 9 HG1 ARG 9 8.095 -5.400 -5.208
55 HD2 ARG 9 HD2 ARG 9 6.398 -3.599 -5.135
56 HD3 ARG 9 HD1 ARG 9 6.164 -3.911 -3.416
57 HE ARG 9 HE ARG 9 8.801 -3.512 -3.549
58 HH11 ARG 9 HH11 ARG 9 6.136 -1.511 -4.761
59 HH12 ARG 9 HH12 ARG 9 6.964 -0.031 -4.669
60 HH21 ARG 9 HH21 ARG 9 9.955 -1.541 -3.421
61 HH22 ARG 9 HH22 ARG 9 9.267 -0.055 -3.918
62 H PHE 10 H PHE 10 4.267 -8.723 -2.699
63 HA PHE 10 HA PHE 10 2.475 -9.241 -4.934
64 HB2 PHE 10 HB2 PHE 10 3.759 -11.179 -2.994
65 HB3 PHE 10 HB1 PHE 10 2.712 -11.615 -4.338
66 HD1 PHE 10 HD1 PHE 10 6.060 -10.720 -3.317
67 HD2 PHE 10 HD2 PHE 10 3.501 -11.255 -6.677
68 HE1 PHE 10 HE1 PHE 10 8.019 -10.815 -4.789
69 HE2 PHE 10 HE2 PHE 10 5.449 -11.359 -8.154
70 HZ PHE 10 HZ PHE 10 7.726 -11.137 -7.213
71 H CYS 11 H CYS 11 2.291 -7.774 -2.199
72 HA CYS 11 HA CYS 11 0.520 -7.119 -0.873
73 HB2 CYS 11 HB2 CYS 11 -1.149 -9.285 -2.175
74 HB3 CYS 11 HB1 CYS 11 -1.685 -7.843 -1.320
75 H GLN 12 H GLN 12 2.342 -9.562 -0.294
76 HA GLN 12 HA GLN 12 0.514 -11.028 1.445
77 HB2 GLN 12 HB2 GLN 12 3.269 -11.685 0.477
78 HB3 GLN 12 HB1 GLN 12 2.365 -12.673 1.618
79 HG2 GLN 12 HG2 GLN 12 0.645 -13.074 0.001
80 HG3 GLN 12 HG1 GLN 12 1.389 -11.944 -1.127
81 HE21 GLN 12 1HE2 GLN 12 1.529 -13.526 -2.678
82 HE22 GLN 12 2HE2 GLN 12 2.711 -14.778 -2.615
83 H ASN 13 H ASN 13 2.588 -8.453 1.915
84 HA ASN 13 HA ASN 13 2.864 -9.299 4.720
85 HB2 ASN 13 HB2 ASN 13 5.071 -7.898 3.181
86 HB3 ASN 13 HB1 ASN 13 5.054 -8.079 4.920
87 HD21 ASN 13 HD21 ASN 13 3.981 -10.870 4.742
88 HD22 ASN 13 HD22 ASN 13 5.309 -11.826 4.239
89 H TYR 14 H TYR 14 1.068 -8.138 5.231
90 HA TYR 14 HA TYR 14 0.766 -5.378 4.737
91 HB2 TYR 14 HB2 TYR 14 -1.167 -6.743 5.192
92 HB3 TYR 14 HB1 TYR 14 -0.521 -7.222 6.753
93 HD1 TYR 14 HD1 TYR 14 -1.309 -6.157 8.619
94 HD2 TYR 14 HD2 TYR 14 -1.527 -4.136 4.897
95 HE1 TYR 14 HE1 TYR 14 -2.518 -4.329 9.708
96 HE2 TYR 14 HE2 TYR 14 -2.728 -2.290 5.962
97 HH TYR 14 HH TYR 14 -4.144 -1.896 7.997
98 H ILE 15 H ILE 15 1.623 -3.690 5.831
99 HA ILE 15 HA ILE 15 2.863 -4.281 8.430
100 HB ILE 15 HB ILE 15 4.369 -2.353 8.072
101 HG12 ILE 15 HG12 ILE 15 3.303 -2.397 5.232
102 HG13 ILE 15 HG11 ILE 15 2.969 -1.144 6.418
103 HG21 ILE 15 HG21 ILE 15 5.850 -3.496 6.465
104 HG22 ILE 15 HG22 ILE 15 4.510 -4.549 6.012
105 HG23 ILE 15 HG23 ILE 15 5.150 -4.593 7.655
106 HD11 ILE 15 HD11 ILE 15 5.665 -1.828 5.276
107 HD12 ILE 15 HD12 ILE 15 5.339 -0.564 6.461
108 HD13 ILE 15 HD13 ILE 15 4.663 -0.446 4.834
109 H GLY 16 H GLY 16 0.678 -2.110 6.762
110 HA2 GLY 16 HA2 GLY 16 -0.670 -1.319 9.012
111 HA3 GLY 16 HA1 GLY 16 0.615 -0.133 8.780
112 H SER 17 H SER 17 -1.771 0.936 8.571
113 HA SER 17 HA SER 17 -2.102 1.225 5.691
114 HB2 SER 17 HB2 SER 17 -4.576 1.489 6.100
115 HB3 SER 17 HB1 SER 17 -3.958 -0.141 6.347
116 HG SER 17 HG SER 17 -5.310 1.353 8.046
117 H ILE 18 H ILE 18 -2.146 3.244 4.994
118 HA ILE 18 HA ILE 18 -2.706 5.452 6.788
119 HB ILE 18 HB ILE 18 -0.619 6.607 5.816
120 HG12 ILE 18 HG12 ILE 18 0.135 3.721 5.289
121 HG13 ILE 18 HG11 ILE 18 -0.038 5.002 4.099
122 HG21 ILE 18 HG21 ILE 18 -0.776 6.081 8.164
123 HG22 ILE 18 HG22 ILE 18 0.862 5.768 7.592
124 HG23 ILE 18 HG23 ILE 18 -0.249 4.425 7.859
125 HD11 ILE 18 HD11 ILE 18 1.912 6.135 5.042
126 HD12 ILE 18 HD12 ILE 18 2.297 4.487 4.538
127 HD13 ILE 18 HD13 ILE 18 2.061 4.855 6.247
128 HA PRO 19 HA PRO 19 -4.674 7.060 3.164
129 HB2 PRO 19 HB2 PRO 19 -3.293 9.673 3.454
130 HB3 PRO 19 HB1 PRO 19 -5.024 9.319 3.458
131 HG2 PRO 19 HG2 PRO 19 -3.775 9.955 5.722
132 HG3 PRO 19 HG1 PRO 19 -5.031 8.705 5.698
133 HD2 PRO 19 HD2 PRO 19 -2.051 8.390 5.759
134 HD3 PRO 19 HD1 PRO 19 -3.293 7.498 6.662
135 H ASP 20 H ASP 20 -1.507 8.654 3.232
136 HA ASP 20 HA ASP 20 -1.056 7.929 0.451
137 HB2 ASP 20 HB2 ASP 20 0.838 9.560 0.597
138 HB3 ASP 20 HB1 ASP 20 -0.705 10.294 1.002
139 H CYS 21 H CYS 21 0.266 6.307 -0.024
140 HA CYS 21 HA CYS 21 1.773 5.071 2.194
141 HB2 CYS 21 HB2 CYS 21 -0.256 3.836 1.594
142 HB3 CYS 21 HB1 CYS 21 0.276 3.749 -0.076
143 H CYS 22 H CYS 22 2.046 6.428 -0.941
144 HA CYS 22 HA CYS 22 4.055 4.575 -1.781
145 HB2 CYS 22 HB2 CYS 22 2.854 6.930 -3.202
146 HB3 CYS 22 HB1 CYS 22 4.142 5.935 -3.872
147 H PHE 23 H PHE 23 4.554 6.604 0.445
148 HA PHE 23 HA PHE 23 7.006 7.666 -0.710
149 HB2 PHE 23 HB2 PHE 23 5.694 8.263 1.960
150 HB3 PHE 23 HB1 PHE 23 7.248 8.909 1.460
151 HD1 PHE 23 HD1 PHE 23 7.404 10.511 -0.379
152 HD2 PHE 23 HD2 PHE 23 3.631 9.160 1.059
153 HE1 PHE 23 HE1 PHE 23 6.298 12.386 -1.519
154 HE2 PHE 23 HE2 PHE 23 2.523 11.022 -0.072
155 HZ PHE 23 HZ PHE 23 3.850 12.647 -1.370
156 H GLY 24 H GLY 24 6.144 4.866 0.250
157 HA2 GLY 24 HA2 GLY 24 8.765 4.234 1.362
158 HA3 GLY 24 HA1 GLY 24 7.311 3.584 2.120
159 H ARG 25 H ARG 25 9.158 1.866 1.149
160 HA ARG 25 HA ARG 25 8.508 1.023 -1.528
161 HB2 ARG 25 HB2 ARG 25 10.257 -0.083 0.653
162 HB3 ARG 25 HB1 ARG 25 9.835 -1.087 -0.717
163 HG2 ARG 25 HG2 ARG 25 12.041 -0.054 -0.978
164 HG3 ARG 25 HG1 ARG 25 10.929 0.470 -2.233
165 HD2 ARG 25 HD2 ARG 25 12.289 2.323 -1.421
166 HD3 ARG 25 HD1 ARG 25 10.585 2.574 -1.051
167 HE ARG 25 HE ARG 25 11.880 1.338 1.125
168 HH11 ARG 25 HH11 ARG 25 11.676 4.475 -0.521
169 HH12 ARG 25 HH12 ARG 25 11.977 5.400 0.871
170 HH21 ARG 25 HH21 ARG 25 12.296 2.610 3.076
171 HH22 ARG 25 HH22 ARG 25 12.355 4.315 2.949
172 H GLY 26 H GLY 26 6.567 0.102 -1.935
173 HA2 GLY 26 HA2 GLY 26 5.874 -2.320 -0.847
174 HA3 GLY 26 HA1 GLY 26 5.040 -1.086 0.081
175 H SER 27 H SER 27 3.352 -2.504 -0.888
176 HA SER 27 HA SER 27 2.350 -1.327 -3.393
177 HB2 SER 27 HB2 SER 27 1.686 -4.082 -2.365
178 HB3 SER 27 HB1 SER 27 1.563 -3.456 -4.010
179 HG SER 27 HG SER 27 3.679 -4.510 -2.641
180 H TYR 28 H TYR 28 0.066 -0.819 -3.172
181 HA TYR 28 HA TYR 28 -0.987 -1.413 -0.515
182 HB2 TYR 28 HB2 TYR 28 -1.917 0.767 -0.210
183 HB3 TYR 28 HB1 TYR 28 -0.208 0.940 -0.557
184 HD1 TYR 28 HD1 TYR 28 -3.595 1.675 -1.649
185 HD2 TYR 28 HD2 TYR 28 0.509 1.895 -2.755
186 HE1 TYR 28 HE1 TYR 28 -4.152 3.303 -3.369
187 HE2 TYR 28 HE2 TYR 28 -0.016 3.506 -4.466
188 HH TYR 28 HH TYR 28 -2.006 4.179 -5.804
189 H SER 29 H SER 29 -3.147 -1.612 -0.284
190 HA SER 29 HA SER 29 -4.810 -1.527 -2.670
191 HB2 SER 29 HB2 SER 29 -5.845 -3.691 -1.901
192 HB3 SER 29 HB1 SER 29 -4.177 -3.862 -2.454
193 HG SER 29 HG SER 29 -5.230 -4.293 0.052
194 H PHE 30 H PHE 30 -7.189 -1.736 -1.878
195 HA PHE 30 HA PHE 30 -7.386 -0.107 0.540
196 HB2 PHE 30 HB2 PHE 30 -9.336 -0.443 -1.747
197 HB3 PHE 30 HB1 PHE 30 -9.604 0.570 -0.331
198 HD1 PHE 30 HD1 PHE 30 -8.498 0.564 -3.650
199 HD2 PHE 30 HD2 PHE 30 -7.644 2.307 0.143
200 HE1 PHE 30 HE1 PHE 30 -7.338 2.427 -4.764
201 HE2 PHE 30 HE2 PHE 30 -6.496 4.168 -0.966
202 HZ PHE 30 HZ PHE 30 -6.342 4.231 -3.425
203 H GLU 31 H GLU 31 -7.157 -3.066 0.291
204 HA GLU 31 HA GLU 31 -9.196 -3.773 2.203
205 HB2 GLU 31 HB2 GLU 31 -9.913 -5.753 0.953
206 HB3 GLU 31 HB1 GLU 31 -10.263 -4.295 0.037
207 HG2 GLU 31 HG2 GLU 31 -8.292 -4.667 -1.340
208 HG3 GLU 31 HG1 GLU 31 -7.907 -6.112 -0.406
209 H LEU 32 H LEU 32 -8.676 -6.020 3.049
210 HA LEU 32 HA LEU 32 -5.785 -6.345 3.178
211 HB2 LEU 32 HB2 LEU 32 -8.024 -7.336 4.913
212 HB3 LEU 32 HB1 LEU 32 -6.396 -7.962 5.057
213 HG LEU 32 HG LEU 32 -7.100 -5.044 5.405
214 HD11 LEU 32 HD11 LEU 32 -8.154 -6.419 7.133
215 HD12 LEU 32 HD12 LEU 32 -6.822 -5.462 7.790
216 HD13 LEU 32 HD13 LEU 32 -6.599 -7.184 7.465
217 HD21 LEU 32 HD21 LEU 32 -4.787 -5.449 4.744
218 HD22 LEU 32 HD22 LEU 32 -4.623 -6.644 6.028
219 HD23 LEU 32 HD23 LEU 32 -4.877 -4.949 6.431
220 H GLN 33 H GLN 33 -4.738 -8.206 2.846
221 HA GLN 33 HA GLN 33 -4.100 -9.932 1.584
222 HB2 GLN 33 HB2 GLN 33 -6.637 -11.155 2.663
223 HB3 GLN 33 HB1 GLN 33 -5.318 -12.055 1.925
224 HG2 GLN 33 HG2 GLN 33 -3.830 -11.198 3.708
225 HG3 GLN 33 HG1 GLN 33 -5.237 -10.452 4.459
226 HE21 GLN 33 1HE2 GLN 33 -3.445 -12.458 5.443
227 HE22 GLN 33 2HE2 GLN 33 -4.389 -13.833 5.880
228 HA PRO 34 HA PRO 34 -6.661 -9.571 -2.173
229 HB2 PRO 34 HB2 PRO 34 -5.459 -7.527 -3.403
230 HB3 PRO 34 HB1 PRO 34 -6.615 -7.250 -2.096
231 HG2 PRO 34 HG2 PRO 34 -3.681 -6.934 -2.098
232 HG3 PRO 34 HG1 PRO 34 -4.888 -6.188 -1.044
233 HD2 PRO 34 HD2 PRO 34 -3.257 -8.548 -0.523
234 HD3 PRO 34 HD1 PRO 34 -4.379 -7.710 0.564
235 HA PRO 35 HA PRO 35 -3.751 -11.746 -4.872
236 HB2 PRO 35 HB2 PRO 35 -4.563 -10.821 -7.347
237 HB3 PRO 35 HB1 PRO 35 -5.379 -12.113 -6.467
238 HG2 PRO 35 HG2 PRO 35 -6.082 -9.221 -6.670
239 HG3 PRO 35 HG1 PRO 35 -7.147 -10.637 -6.676
240 HD2 PRO 35 HD2 PRO 35 -6.833 -9.090 -4.495
241 HD3 PRO 35 HD1 PRO 35 -7.091 -10.842 -4.373
242 HA PRO 36 HA PRO 36 -0.270 -9.074 -5.186
243 HB2 PRO 36 HB2 PRO 36 0.976 -10.214 -7.406
244 HB3 PRO 36 HB1 PRO 36 1.146 -10.746 -5.732
245 HG2 PRO 36 HG2 PRO 36 -0.653 -11.801 -7.874
246 HG3 PRO 36 HG1 PRO 36 0.280 -12.690 -6.656
247 HD2 PRO 36 HD2 PRO 36 -2.329 -12.348 -6.357
248 HD3 PRO 36 HD1 PRO 36 -1.248 -12.182 -4.954
249 H TRP 37 H TRP 37 -1.984 -9.614 -8.214
250 HA TRP 37 HA TRP 37 -0.727 -7.381 -9.484
251 HB2 TRP 37 HB2 TRP 37 -2.290 -7.828 -11.373
252 HB3 TRP 37 HB1 TRP 37 -1.308 -9.207 -10.912
253 HD1 TRP 37 HD TRP 37 -4.935 -7.910 -10.581
254 HE1 TRP 37 HE1 TRP 37 -6.503 -9.950 -10.354
255 HE3 TRP 37 3HE TRP 37 -1.427 -11.614 -10.340
256 HZ2 TRP 37 HZ2 TRP 37 -6.276 -12.744 -10.120
257 HZ3 TRP 37 HZ3 TRP 37 -2.181 -13.944 -10.122
258 HH2 TRP 37 HH TRP 37 -4.564 -14.493 -10.015
259 H GLU 38 H GLU 38 -3.245 -7.508 -7.258
260 HA GLU 38 HA GLU 38 -4.539 -5.203 -8.469
261 HB2 GLU 38 HB2 GLU 38 -5.469 -7.022 -6.267
262 HB3 GLU 38 HB1 GLU 38 -6.286 -5.519 -6.671
263 HG2 GLU 38 HG2 GLU 38 -5.866 -7.862 -8.516
264 HG3 GLU 38 HG1 GLU 38 -7.379 -7.401 -7.736
265 H CYS 39 H CYS 39 -2.085 -5.654 -6.394
266 HA CYS 39 HA CYS 39 -2.802 -3.387 -4.736
267 HB2 CYS 39 HB2 CYS 39 -0.288 -5.050 -4.811
268 HB3 CYS 39 HB1 CYS 39 -0.537 -3.665 -3.754
269 H TYR 40 H TYR 40 -2.218 -1.425 -5.098
270 HA TYR 40 HA TYR 40 -1.018 -0.702 -7.566
271 HB2 TYR 40 HB2 TYR 40 -1.663 0.966 -5.123
272 HB3 TYR 40 HB1 TYR 40 -1.213 1.601 -6.696
273 HD1 TYR 40 HD1 TYR 40 -2.816 1.740 -8.469
274 HD2 TYR 40 HD2 TYR 40 -3.869 -0.115 -4.791
275 HE1 TYR 40 HE1 TYR 40 -5.159 1.789 -9.132
276 HE2 TYR 40 HE2 TYR 40 -6.230 -0.082 -5.438
277 HH TYR 40 HH TYR 40 -7.719 1.110 -6.944
278 H GLN 41 H GLN 41 1.047 -0.747 -7.900
279 HA GLN 41 HA GLN 41 2.897 -1.150 -5.769
280 HB2 GLN 41 HB2 GLN 41 3.186 -0.975 -8.749
281 HB3 GLN 41 HB1 GLN 41 4.558 -1.177 -7.670
282 HG2 GLN 41 HG2 GLN 41 3.659 -3.262 -6.851
283 HG3 GLN 41 HG1 GLN 41 2.202 -3.039 -7.817
284 HE21 GLN 41 1HE2 GLN 41 5.614 -3.704 -7.920
285 HE22 GLN 41 2HE2 GLN 41 5.625 -4.400 -9.491
286 H CYS 42 H CYS 42 3.657 0.432 -4.594
287 HA CYS 42 HA CYS 42 3.708 3.083 -5.544
288 HB2 CYS 42 HB2 CYS 42 4.645 1.803 -2.987
289 HB3 CYS 42 HB1 CYS 42 4.871 3.516 -3.332
Start of MODEL 18
1 H PCA 1 H PGL 1 -10.539 4.454 3.825
2 HA PCA 1 HA PGL 1 -9.819 6.728 2.828
3 HB2 PCA 1 HB1 PGL 1 -9.950 8.427 4.337
4 HB3 PCA 1 HB2 PGL 1 -8.672 7.652 5.310
5 HG2 PCA 1 HG1 PGL 1 -11.531 7.736 5.833
6 HG3 PCA 1 HG2 PGL 1 -10.220 7.027 6.838
7 H GLU 2 H GLU 2 -8.531 4.461 5.058
8 HA GLU 2 HA GLU 2 -5.767 5.162 4.572
9 HB2 GLU 2 HB2 GLU 2 -6.964 2.818 6.049
10 HB3 GLU 2 HB1 GLU 2 -5.264 3.247 5.996
11 HG2 GLU 2 HG2 GLU 2 -5.738 5.321 7.175
12 HG3 GLU 2 HG1 GLU 2 -7.455 4.910 7.210
13 H ALA 3 H ALA 3 -4.371 4.056 3.270
14 HA ALA 3 HA ALA 3 -5.488 1.948 1.617
15 HB1 ALA 3 HB1 ALA 3 -2.931 3.565 1.366
16 HB2 ALA 3 HB2 ALA 3 -4.403 3.817 0.430
17 HB3 ALA 3 HB3 ALA 3 -3.475 2.332 0.227
18 H PHE 4 H PHE 4 -4.530 -0.064 1.688
19 HA PHE 4 HA PHE 4 -3.133 -0.568 4.170
20 HB2 PHE 4 HB2 PHE 4 -4.192 -2.516 2.115
21 HB3 PHE 4 HB1 PHE 4 -3.693 -2.902 3.758
22 HD1 PHE 4 HD1 PHE 4 -6.426 -2.285 1.713
23 HD2 PHE 4 HD2 PHE 4 -4.984 -1.448 5.620
24 HE1 PHE 4 HE1 PHE 4 -8.729 -1.843 2.468
25 HE2 PHE 4 HE2 PHE 4 -7.290 -1.011 6.373
26 HZ PHE 4 HZ PHE 4 -9.156 -1.212 4.793
27 H CYS 5 H CYS 5 -1.017 -0.872 4.255
28 HA CYS 5 HA CYS 5 0.426 -0.898 1.727
29 HB2 CYS 5 HB2 CYS 5 1.321 -0.154 4.504
30 HB3 CYS 5 HB1 CYS 5 2.321 -0.084 3.058
31 H TYR 6 H TYR 6 1.620 -2.511 1.150
32 HA TYR 6 HA TYR 6 2.437 -4.589 3.077
33 HB2 TYR 6 HB2 TYR 6 1.632 -5.100 0.180
34 HB3 TYR 6 HB1 TYR 6 2.016 -6.283 1.415
35 HD1 TYR 6 HD1 TYR 6 -0.496 -3.871 0.272
36 HD2 TYR 6 HD2 TYR 6 0.344 -7.023 2.989
37 HE1 TYR 6 HE1 TYR 6 -2.835 -3.983 0.840
38 HE2 TYR 6 HE2 TYR 6 -2.035 -7.140 3.579
39 HH TYR 6 HH TYR 6 -4.429 -5.280 1.822
40 H SER 7 H SER 7 4.503 -4.984 3.066
41 HA SER 7 HA SER 7 6.208 -3.447 1.403
42 HB2 SER 7 HB2 SER 7 7.954 -4.794 2.658
43 HB3 SER 7 HB1 SER 7 6.789 -3.879 3.639
44 HG SER 7 HG SER 7 7.158 -6.065 4.319
45 H ASP 8 H ASP 8 5.109 -6.670 1.654
46 HA ASP 8 HA ASP 8 6.736 -7.790 -0.366
47 HB2 ASP 8 HB2 ASP 8 5.869 -9.250 1.287
48 HB3 ASP 8 HB1 ASP 8 4.214 -8.741 0.956
49 H ARG 9 H ARG 9 6.341 -8.210 -2.413
50 HA ARG 9 HA ARG 9 4.702 -6.352 -3.827
51 HB2 ARG 9 HB2 ARG 9 6.572 -8.545 -4.715
52 HB3 ARG 9 HB1 ARG 9 5.628 -7.617 -5.858
53 HG2 ARG 9 HG2 ARG 9 7.905 -6.781 -5.734
54 HG3 ARG 9 HG1 ARG 9 6.779 -5.567 -5.145
55 HD2 ARG 9 HD2 ARG 9 8.798 -5.683 -3.767
56 HD3 ARG 9 HD1 ARG 9 7.368 -6.135 -2.841
57 HE ARG 9 HE ARG 9 8.789 -8.347 -4.024
58 HH11 ARG 9 HH11 ARG 9 8.635 -6.259 -1.141
59 HH12 ARG 9 HH12 ARG 9 9.359 -7.419 -0.130
60 HH21 ARG 9 HH21 ARG 9 9.738 -9.901 -2.603
61 HH22 ARG 9 HH22 ARG 9 9.957 -9.538 -0.943
62 H PHE 10 H PHE 10 4.141 -9.505 -2.613
63 HA PHE 10 HA PHE 10 2.144 -10.002 -4.660
64 HB2 PHE 10 HB2 PHE 10 3.340 -11.890 -2.618
65 HB3 PHE 10 HB1 PHE 10 2.209 -12.330 -3.894
66 HD1 PHE 10 HD1 PHE 10 5.652 -11.622 -3.056
67 HD2 PHE 10 HD2 PHE 10 2.930 -12.241 -6.262
68 HE1 PHE 10 HE1 PHE 10 7.543 -11.984 -4.581
69 HE2 PHE 10 HE2 PHE 10 4.810 -12.609 -7.792
70 HZ PHE 10 HZ PHE 10 7.127 -12.478 -6.956
71 H CYS 11 H CYS 11 2.218 -8.289 -2.071
72 HA CYS 11 HA CYS 11 0.632 -7.452 -0.633
73 HB2 CYS 11 HB2 CYS 11 -1.300 -9.495 -1.756
74 HB3 CYS 11 HB1 CYS 11 -1.682 -7.993 -0.927
75 H GLN 12 H GLN 12 2.295 -9.981 -0.097
76 HA GLN 12 HA GLN 12 0.535 -11.302 1.803
77 HB2 GLN 12 HB2 GLN 12 3.224 -12.095 0.716
78 HB3 GLN 12 HB1 GLN 12 2.282 -13.049 1.856
79 HG2 GLN 12 HG2 GLN 12 0.496 -13.275 0.223
80 HG3 GLN 12 HG1 GLN 12 1.386 -12.268 -0.912
81 HE21 GLN 12 1HE2 GLN 12 3.948 -13.500 -0.269
82 HE22 GLN 12 2HE2 GLN 12 3.930 -15.070 -0.958
83 H ASN 13 H ASN 13 2.312 -8.646 2.115
84 HA ASN 13 HA ASN 13 2.908 -9.350 4.882
85 HB2 ASN 13 HB2 ASN 13 4.970 -8.221 3.022
86 HB3 ASN 13 HB1 ASN 13 5.029 -7.858 4.735
87 HD21 ASN 13 HD21 ASN 13 5.427 -9.525 6.183
88 HD22 ASN 13 HD22 ASN 13 6.110 -11.034 5.699
89 H TYR 14 H TYR 14 1.320 -8.218 5.672
90 HA TYR 14 HA TYR 14 0.746 -5.533 4.896
91 HB2 TYR 14 HB2 TYR 14 -0.984 -7.096 5.711
92 HB3 TYR 14 HB1 TYR 14 -0.173 -7.185 7.264
93 HD1 TYR 14 HD1 TYR 14 -1.860 -4.772 4.967
94 HD2 TYR 14 HD2 TYR 14 -0.797 -5.730 8.973
95 HE1 TYR 14 HE1 TYR 14 -3.254 -2.929 5.778
96 HE2 TYR 14 HE2 TYR 14 -2.186 -3.885 9.785
97 HH TYR 14 HH TYR 14 -3.109 -1.793 8.973
98 H ILE 15 H ILE 15 1.795 -3.792 5.581
99 HA ILE 15 HA ILE 15 3.393 -4.017 8.043
100 HB ILE 15 HB ILE 15 4.857 -2.227 7.138
101 HG12 ILE 15 HG12 ILE 15 3.351 -2.718 4.551
102 HG13 ILE 15 HG11 ILE 15 3.231 -1.265 5.528
103 HG21 ILE 15 HG21 ILE 15 5.508 -4.545 7.018
104 HG22 ILE 15 HG22 ILE 15 6.072 -3.667 5.598
105 HG23 ILE 15 HG23 ILE 15 4.665 -4.725 5.478
106 HD11 ILE 15 HD11 ILE 15 5.710 -2.242 4.123
107 HD12 ILE 15 HD12 ILE 15 5.570 -0.759 5.070
108 HD13 ILE 15 HD13 ILE 15 4.650 -0.945 3.579
109 H GLY 16 H GLY 16 0.645 -2.623 6.901
110 HA2 GLY 16 HA2 GLY 16 -0.250 -1.360 8.973
111 HA3 GLY 16 HA1 GLY 16 0.983 -0.196 8.490
112 H SER 17 H SER 17 -1.178 1.002 8.487
113 HA SER 17 HA SER 17 -2.087 1.075 5.723
114 HB2 SER 17 HB2 SER 17 -4.418 1.454 6.582
115 HB3 SER 17 HB1 SER 17 -3.796 -0.162 6.908
116 HG SER 17 HG SER 17 -4.298 1.962 8.648
117 H ILE 18 H ILE 18 -2.093 3.100 4.960
118 HA ILE 18 HA ILE 18 -2.439 5.366 6.691
119 HB ILE 18 HB ILE 18 -0.433 6.533 5.619
120 HG12 ILE 18 HG12 ILE 18 0.427 3.685 5.065
121 HG13 ILE 18 HG11 ILE 18 0.058 4.917 3.867
122 HG21 ILE 18 HG21 ILE 18 0.138 4.379 7.633
123 HG22 ILE 18 HG22 ILE 18 -0.402 6.025 7.960
124 HG23 ILE 18 HG23 ILE 18 1.199 5.743 7.277
125 HD11 ILE 18 HD11 ILE 18 2.342 4.998 5.831
126 HD12 ILE 18 HD12 ILE 18 1.991 6.215 4.602
127 HD13 ILE 18 HD13 ILE 18 2.462 4.587 4.121
128 HA PRO 19 HA PRO 19 -4.692 6.780 3.168
129 HB2 PRO 19 HB2 PRO 19 -3.464 9.463 3.541
130 HB3 PRO 19 HB1 PRO 19 -5.169 9.012 3.499
131 HG2 PRO 19 HG2 PRO 19 -4.000 9.637 5.807
132 HG3 PRO 19 HG1 PRO 19 -5.185 8.321 5.715
133 HD2 PRO 19 HD2 PRO 19 -2.201 8.179 5.875
134 HD3 PRO 19 HD1 PRO 19 -3.429 7.161 6.658
135 H ASP 20 H ASP 20 -1.579 8.474 3.248
136 HA ASP 20 HA ASP 20 -1.245 7.916 0.382
137 HB2 ASP 20 HB2 ASP 20 0.371 9.715 2.220
138 HB3 ASP 20 HB1 ASP 20 0.676 9.501 0.507
139 H CYS 21 H CYS 21 -0.311 5.996 0.079
140 HA CYS 21 HA CYS 21 1.392 4.939 2.185
141 HB2 CYS 21 HB2 CYS 21 -0.473 3.576 1.269
142 HB3 CYS 21 HB1 CYS 21 0.329 3.576 -0.294
143 H CYS 22 H CYS 22 1.830 6.637 -0.673
144 HA CYS 22 HA CYS 22 4.146 5.209 -1.636
145 HB2 CYS 22 HB2 CYS 22 2.982 7.854 -2.495
146 HB3 CYS 22 HB1 CYS 22 4.301 7.017 -3.300
147 H PHE 23 H PHE 23 4.195 6.514 1.075
148 HA PHE 23 HA PHE 23 6.559 8.148 0.679
149 HB2 PHE 23 HB2 PHE 23 5.131 7.382 3.245
150 HB3 PHE 23 HB1 PHE 23 6.519 8.456 3.154
151 HD1 PHE 23 HD1 PHE 23 3.323 8.635 3.911
152 HD2 PHE 23 HD2 PHE 23 5.907 10.172 0.912
153 HE1 PHE 23 HE1 PHE 23 1.809 10.547 3.578
154 HE2 PHE 23 HE2 PHE 23 4.403 12.071 0.573
155 HZ PHE 23 HZ PHE 23 2.344 12.264 1.907
156 H GLY 24 H GLY 24 7.728 6.508 -0.254
157 HA2 GLY 24 HA2 GLY 24 9.719 5.242 0.307
158 HA3 GLY 24 HA1 GLY 24 8.834 4.582 1.686
159 H ARG 25 H ARG 25 9.688 2.567 0.490
160 HA ARG 25 HA ARG 25 8.202 1.850 -1.865
161 HB2 ARG 25 HB2 ARG 25 9.869 0.101 -0.054
162 HB3 ARG 25 HB1 ARG 25 9.214 -0.377 -1.610
163 HG2 ARG 25 HG2 ARG 25 10.584 1.427 -2.650
164 HG3 ARG 25 HG1 ARG 25 11.330 1.685 -1.071
165 HD2 ARG 25 HD2 ARG 25 12.722 0.221 -2.384
166 HD3 ARG 25 HD1 ARG 25 12.009 -0.686 -1.048
167 HE ARG 25 HE ARG 25 10.507 -0.804 -3.487
168 HH11 ARG 25 HH11 ARG 25 13.090 -2.360 -1.622
169 HH12 ARG 25 HH12 ARG 25 13.006 -3.820 -2.493
170 HH21 ARG 25 HH21 ARG 25 10.419 -2.869 -4.674
171 HH22 ARG 25 HH22 ARG 25 11.519 -4.087 -4.248
172 H GLY 26 H GLY 26 6.461 0.465 -2.017
173 HA2 GLY 26 HA2 GLY 26 5.469 -1.179 -0.073
174 HA3 GLY 26 HA1 GLY 26 4.761 0.400 0.236
175 H SER 27 H SER 27 3.748 -2.237 -0.755
176 HA SER 27 HA SER 27 2.469 -1.428 -3.242
177 HB2 SER 27 HB2 SER 27 2.105 -3.975 -1.639
178 HB3 SER 27 HB1 SER 27 1.768 -3.711 -3.348
179 HG SER 27 HG SER 27 3.851 -4.754 -2.359
180 H TYR 28 H TYR 28 0.309 -0.788 -3.114
181 HA TYR 28 HA TYR 28 -0.908 -0.985 -0.466
182 HB2 TYR 28 HB2 TYR 28 -1.825 1.234 -0.584
183 HB3 TYR 28 HB1 TYR 28 -0.102 1.347 -0.870
184 HD1 TYR 28 HD1 TYR 28 0.745 2.020 -3.166
185 HD2 TYR 28 HD2 TYR 28 -3.438 1.840 -2.271
186 HE1 TYR 28 HE1 TYR 28 0.265 3.328 -5.136
187 HE2 TYR 28 HE2 TYR 28 -3.912 3.151 -4.270
188 HH TYR 28 HH TYR 28 -1.637 3.697 -6.704
189 H SER 29 H SER 29 -3.023 -1.412 -0.378
190 HA SER 29 HA SER 29 -4.470 -1.577 -2.895
191 HB2 SER 29 HB2 SER 29 -5.418 -3.765 -2.157
192 HB3 SER 29 HB1 SER 29 -3.679 -3.841 -2.441
193 HG SER 29 HG SER 29 -5.093 -4.241 -0.134
194 H PHE 30 H PHE 30 -6.830 -1.774 -2.463
195 HA PHE 30 HA PHE 30 -7.509 -0.177 -0.113
196 HB2 PHE 30 HB2 PHE 30 -9.127 -0.729 -2.613
197 HB3 PHE 30 HB1 PHE 30 -9.593 0.354 -1.306
198 HD1 PHE 30 HD1 PHE 30 -7.889 2.267 -0.776
199 HD2 PHE 30 HD2 PHE 30 -8.033 0.140 -4.452
200 HE1 PHE 30 HE1 PHE 30 -6.724 4.121 -1.889
201 HE2 PHE 30 HE2 PHE 30 -6.869 1.990 -5.570
202 HZ PHE 30 HZ PHE 30 -6.215 3.987 -4.283
203 H GLU 31 H GLU 31 -7.153 -3.221 -0.707
204 HA GLU 31 HA GLU 31 -9.432 -4.092 0.926
205 HB2 GLU 31 HB2 GLU 31 -8.254 -5.568 -1.441
206 HB3 GLU 31 HB1 GLU 31 -9.473 -6.215 -0.358
207 HG2 GLU 31 HG2 GLU 31 -11.000 -4.409 -1.061
208 HG3 GLU 31 HG1 GLU 31 -9.773 -3.859 -2.198
209 H LEU 32 H LEU 32 -8.938 -6.014 2.202
210 HA LEU 32 HA LEU 32 -6.176 -5.978 3.056
211 HB2 LEU 32 HB2 LEU 32 -8.611 -7.319 4.198
212 HB3 LEU 32 HB1 LEU 32 -7.002 -7.574 4.838
213 HG LEU 32 HG LEU 32 -8.439 -4.916 4.749
214 HD11 LEU 32 HD11 LEU 32 -7.819 -6.764 7.039
215 HD12 LEU 32 HD12 LEU 32 -9.414 -6.486 6.339
216 HD13 LEU 32 HD13 LEU 32 -8.570 -5.172 7.166
217 HD21 LEU 32 HD21 LEU 32 -6.587 -4.168 6.186
218 HD22 LEU 32 HD22 LEU 32 -6.035 -4.626 4.583
219 HD23 LEU 32 HD23 LEU 32 -5.785 -5.720 5.946
220 H GLN 33 H GLN 33 -4.751 -7.186 2.340
221 HA GLN 33 HA GLN 33 -3.697 -8.627 1.027
222 HB2 GLN 33 HB2 GLN 33 -5.091 -10.552 2.877
223 HB3 GLN 33 HB1 GLN 33 -3.726 -10.973 1.853
224 HG2 GLN 33 HG2 GLN 33 -2.408 -9.196 3.005
225 HG3 GLN 33 HG1 GLN 33 -3.761 -8.981 4.113
226 HE21 GLN 33 1HE2 GLN 33 -2.660 -12.082 2.832
227 HE22 GLN 33 2HE2 GLN 33 -2.092 -12.689 4.328
228 HA PRO 34 HA PRO 34 -6.674 -10.029 -2.017
229 HB2 PRO 34 HB2 PRO 34 -6.351 -8.073 -3.837
230 HB3 PRO 34 HB1 PRO 34 -7.379 -7.835 -2.423
231 HG2 PRO 34 HG2 PRO 34 -4.726 -6.691 -3.024
232 HG3 PRO 34 HG1 PRO 34 -5.990 -6.090 -1.942
233 HD2 PRO 34 HD2 PRO 34 -3.637 -7.619 -1.279
234 HD3 PRO 34 HD1 PRO 34 -4.863 -6.959 -0.179
235 HA PRO 35 HA PRO 35 -3.600 -11.907 -4.740
236 HB2 PRO 35 HB2 PRO 35 -4.510 -11.166 -7.283
237 HB3 PRO 35 HB1 PRO 35 -5.026 -12.596 -6.389
238 HG2 PRO 35 HG2 PRO 35 -6.353 -9.938 -6.642
239 HG3 PRO 35 HG1 PRO 35 -7.079 -11.553 -6.581
240 HD2 PRO 35 HD2 PRO 35 -7.135 -9.935 -4.463
241 HD3 PRO 35 HD1 PRO 35 -6.893 -11.683 -4.276
242 HA PRO 36 HA PRO 36 -0.289 -9.073 -5.354
243 HB2 PRO 36 HB2 PRO 36 0.648 -9.995 -7.851
244 HB3 PRO 36 HB1 PRO 36 1.179 -10.540 -6.265
245 HG2 PRO 36 HG2 PRO 36 -0.846 -11.735 -8.094
246 HG3 PRO 36 HG1 PRO 36 0.310 -12.542 -7.018
247 HD2 PRO 36 HD2 PRO 36 -2.248 -12.422 -6.370
248 HD3 PRO 36 HD1 PRO 36 -1.006 -12.139 -5.127
249 H TRP 37 H TRP 37 -2.340 -9.447 -8.199
250 HA TRP 37 HA TRP 37 -1.350 -7.089 -9.456
251 HB2 TRP 37 HB2 TRP 37 -3.223 -7.392 -11.067
252 HB3 TRP 37 HB1 TRP 37 -2.183 -8.794 -10.896
253 HD1 TRP 37 HD TRP 37 -5.741 -7.593 -9.874
254 HE1 TRP 37 HE1 TRP 37 -7.205 -9.682 -9.562
255 HE3 TRP 37 3HE TRP 37 -2.167 -11.186 -10.425
256 HZ2 TRP 37 HZ2 TRP 37 -6.890 -12.476 -9.561
257 HZ3 TRP 37 HZ3 TRP 37 -2.829 -13.553 -10.246
258 HH2 TRP 37 HH TRP 37 -5.146 -14.175 -9.820
259 H GLU 38 H GLU 38 -3.573 -7.551 -6.956
260 HA GLU 38 HA GLU 38 -5.101 -5.187 -7.605
261 HB2 GLU 38 HB2 GLU 38 -5.273 -7.197 -5.388
262 HB3 GLU 38 HB1 GLU 38 -6.309 -5.774 -5.474
263 HG2 GLU 38 HG2 GLU 38 -6.098 -7.840 -7.641
264 HG3 GLU 38 HG1 GLU 38 -7.336 -7.880 -6.396
265 H CYS 39 H CYS 39 -2.212 -5.809 -6.116
266 HA CYS 39 HA CYS 39 -2.485 -3.467 -4.409
267 HB2 CYS 39 HB2 CYS 39 -0.214 -5.447 -4.650
268 HB3 CYS 39 HB1 CYS 39 -0.211 -4.024 -3.611
269 H TYR 40 H TYR 40 -1.919 -1.621 -5.098
270 HA TYR 40 HA TYR 40 -0.509 -1.325 -7.621
271 HB2 TYR 40 HB2 TYR 40 -1.632 0.837 -5.811
272 HB3 TYR 40 HB1 TYR 40 -1.320 0.943 -7.538
273 HD1 TYR 40 HD1 TYR 40 -2.849 -0.302 -9.138
274 HD2 TYR 40 HD2 TYR 40 -3.701 0.042 -4.985
275 HE1 TYR 40 HE1 TYR 40 -5.185 -0.942 -9.564
276 HE2 TYR 40 HE2 TYR 40 -6.027 -0.594 -5.398
277 HH TYR 40 HH TYR 40 -7.098 -1.923 -8.341
278 H GLN 41 H GLN 41 1.603 -0.458 -7.625
279 HA GLN 41 HA GLN 41 2.779 -0.438 -4.940
280 HB2 GLN 41 HB2 GLN 41 4.095 -1.014 -7.588
281 HB3 GLN 41 HB1 GLN 41 4.862 -1.089 -6.004
282 HG2 GLN 41 HG2 GLN 41 3.475 -2.916 -5.338
283 HG3 GLN 41 HG1 GLN 41 2.510 -2.777 -6.804
284 HE21 GLN 41 1HE2 GLN 41 3.390 -3.401 -8.729
285 HE22 GLN 41 2HE2 GLN 41 4.732 -4.474 -8.848
286 H CYS 42 H CYS 42 3.995 1.217 -4.247
287 HA CYS 42 HA CYS 42 3.907 3.578 -5.878
288 HB2 CYS 42 HB2 CYS 42 4.760 3.150 -3.013
289 HB3 CYS 42 HB1 CYS 42 4.766 4.711 -3.827
Start of MODEL 19
1 H PCA 1 H PGL 1 -10.662 -0.359 1.980
2 HA PCA 1 HA PGL 1 -11.851 1.458 0.697
3 HB2 PCA 1 HB1 PGL 1 -13.503 2.435 1.921
4 HB3 PCA 1 HB2 PGL 1 -12.249 3.235 2.908
5 HG2 PCA 1 HG1 PGL 1 -13.933 0.959 3.620
6 HG3 PCA 1 HG2 PGL 1 -12.758 1.860 4.637
7 H GLU 2 H GLU 2 -9.634 1.528 3.309
8 HA GLU 2 HA GLU 2 -8.323 3.953 2.373
9 HB2 GLU 2 HB2 GLU 2 -8.001 2.208 4.795
10 HB3 GLU 2 HB1 GLU 2 -6.819 3.435 4.370
11 HG2 GLU 2 HG2 GLU 2 -9.737 3.959 4.872
12 HG3 GLU 2 HG1 GLU 2 -8.440 4.207 6.047
13 H ALA 3 H ALA 3 -5.881 3.824 2.284
14 HA ALA 3 HA ALA 3 -5.187 1.599 0.590
15 HB1 ALA 3 HB1 ALA 3 -3.071 2.838 0.285
16 HB2 ALA 3 HB2 ALA 3 -3.605 4.012 1.488
17 HB3 ALA 3 HB3 ALA 3 -4.481 3.846 -0.033
18 H PHE 4 H PHE 4 -4.433 -0.169 1.411
19 HA PHE 4 HA PHE 4 -3.200 -0.158 4.055
20 HB2 PHE 4 HB2 PHE 4 -4.154 -2.474 2.357
21 HB3 PHE 4 HB1 PHE 4 -3.585 -2.589 4.016
22 HD1 PHE 4 HD1 PHE 4 -6.410 -2.434 2.008
23 HD2 PHE 4 HD2 PHE 4 -4.902 -0.950 5.697
24 HE1 PHE 4 HE1 PHE 4 -8.710 -2.028 2.781
25 HE2 PHE 4 HE2 PHE 4 -7.207 -0.544 6.475
26 HZ PHE 4 HZ PHE 4 -9.111 -1.089 5.009
27 H CYS 5 H CYS 5 -1.108 -0.722 4.336
28 HA CYS 5 HA CYS 5 0.470 -0.630 1.896
29 HB2 CYS 5 HB2 CYS 5 1.299 -0.164 4.749
30 HB3 CYS 5 HB1 CYS 5 2.238 0.186 3.300
31 H TYR 6 H TYR 6 1.445 -2.329 1.214
32 HA TYR 6 HA TYR 6 2.186 -4.476 3.086
33 HB2 TYR 6 HB2 TYR 6 1.592 -4.784 0.132
34 HB3 TYR 6 HB1 TYR 6 1.961 -6.047 1.239
35 HD1 TYR 6 HD1 TYR 6 -0.652 -3.669 0.235
36 HD2 TYR 6 HD2 TYR 6 0.315 -6.899 2.817
37 HE1 TYR 6 HE1 TYR 6 -3.001 -3.914 0.794
38 HE2 TYR 6 HE2 TYR 6 -2.041 -7.150 3.390
39 HH TYR 6 HH TYR 6 -4.552 -5.445 1.696
40 H SER 7 H SER 7 4.194 -4.760 3.299
41 HA SER 7 HA SER 7 6.151 -3.315 1.735
42 HB2 SER 7 HB2 SER 7 6.386 -5.240 4.033
43 HB3 SER 7 HB1 SER 7 7.697 -4.213 3.423
44 HG SER 7 HG SER 7 5.826 -2.546 3.823
45 H ASP 8 H ASP 8 4.757 -5.246 0.247
46 HA ASP 8 HA ASP 8 6.878 -6.795 -0.829
47 HB2 ASP 8 HB2 ASP 8 6.205 -8.369 0.907
48 HB3 ASP 8 HB1 ASP 8 4.517 -8.208 0.439
49 H ARG 9 H ARG 9 6.460 -7.274 -2.939
50 HA ARG 9 HA ARG 9 4.421 -5.717 -4.162
51 HB2 ARG 9 HB2 ARG 9 6.448 -7.620 -5.320
52 HB3 ARG 9 HB1 ARG 9 5.313 -6.708 -6.302
53 HG2 ARG 9 HG2 ARG 9 7.398 -5.528 -4.468
54 HG3 ARG 9 HG1 ARG 9 7.492 -5.620 -6.231
55 HD2 ARG 9 HD2 ARG 9 5.461 -4.260 -6.395
56 HD3 ARG 9 HD1 ARG 9 5.400 -4.130 -4.643
57 HE ARG 9 HE ARG 9 7.768 -3.183 -6.022
58 HH11 ARG 9 HH11 ARG 9 4.848 -2.474 -4.152
59 HH12 ARG 9 HH12 ARG 9 5.150 -0.812 -4.011
60 HH21 ARG 9 HH21 ARG 9 8.162 -0.825 -5.881
61 HH22 ARG 9 HH22 ARG 9 7.043 0.184 -5.112
62 H PHE 10 H PHE 10 4.343 -8.887 -2.968
63 HA PHE 10 HA PHE 10 2.190 -9.544 -4.807
64 HB2 PHE 10 HB2 PHE 10 3.749 -11.323 -2.924
65 HB3 PHE 10 HB1 PHE 10 2.491 -11.861 -4.032
66 HD1 PHE 10 HD1 PHE 10 2.897 -11.920 -6.429
67 HD2 PHE 10 HD2 PHE 10 5.938 -10.743 -3.704
68 HE1 PHE 10 HE1 PHE 10 4.573 -12.199 -8.191
69 HE2 PHE 10 HE2 PHE 10 7.629 -11.023 -5.464
70 HZ PHE 10 HZ PHE 10 6.943 -11.756 -7.718
71 H CYS 11 H CYS 11 2.329 -7.788 -2.321
72 HA CYS 11 HA CYS 11 0.809 -7.029 -0.765
73 HB2 CYS 11 HB2 CYS 11 -1.040 -9.240 -1.666
74 HB3 CYS 11 HB1 CYS 11 -1.450 -7.707 -0.909
75 H GLN 12 H GLN 12 2.639 -9.456 -0.267
76 HA GLN 12 HA GLN 12 1.079 -11.078 1.530
77 HB2 GLN 12 HB2 GLN 12 4.025 -11.147 0.958
78 HB3 GLN 12 HB1 GLN 12 3.113 -12.362 1.844
79 HG2 GLN 12 HG2 GLN 12 1.846 -12.907 -0.123
80 HG3 GLN 12 HG1 GLN 12 2.624 -11.605 -1.021
81 HE21 GLN 12 1HE2 GLN 12 4.809 -11.779 -1.467
82 HE22 GLN 12 2HE2 GLN 12 5.586 -13.320 -1.591
83 H ASN 13 H ASN 13 2.977 -8.219 1.945
84 HA ASN 13 HA ASN 13 3.378 -9.008 4.757
85 HB2 ASN 13 HB2 ASN 13 5.091 -7.107 3.140
86 HB3 ASN 13 HB1 ASN 13 5.276 -7.399 4.863
87 HD21 ASN 13 HD21 ASN 13 7.191 -7.820 2.720
88 HD22 ASN 13 HD22 ASN 13 7.589 -9.491 2.774
89 H TYR 14 H TYR 14 1.357 -8.256 5.357
90 HA TYR 14 HA TYR 14 0.667 -5.522 4.908
91 HB2 TYR 14 HB2 TYR 14 -1.114 -7.160 5.128
92 HB3 TYR 14 HB1 TYR 14 -0.533 -7.608 6.724
93 HD1 TYR 14 HD1 TYR 14 -1.743 -4.571 4.889
94 HD2 TYR 14 HD2 TYR 14 -1.558 -6.713 8.549
95 HE1 TYR 14 HE1 TYR 14 -3.181 -2.887 5.953
96 HE2 TYR 14 HE2 TYR 14 -2.987 -5.059 9.608
97 HH TYR 14 HH TYR 14 -3.589 -2.728 9.318
98 H ILE 15 H ILE 15 1.635 -3.921 5.955
99 HA ILE 15 HA ILE 15 2.620 -4.450 8.664
100 HB ILE 15 HB ILE 15 3.882 -2.341 8.474
101 HG12 ILE 15 HG12 ILE 15 2.977 -2.334 5.577
102 HG13 ILE 15 HG11 ILE 15 2.417 -1.214 6.811
103 HG21 ILE 15 HG21 ILE 15 5.573 -3.188 6.895
104 HG22 ILE 15 HG22 ILE 15 4.396 -4.357 6.297
105 HG23 ILE 15 HG23 ILE 15 4.953 -4.444 7.967
106 HD11 ILE 15 HD11 ILE 15 5.241 -1.467 5.798
107 HD12 ILE 15 HD12 ILE 15 4.689 -0.337 7.035
108 HD13 ILE 15 HD13 ILE 15 4.094 -0.195 5.381
109 H GLY 16 H GLY 16 0.238 -2.744 6.938
110 HA2 GLY 16 HA2 GLY 16 -1.578 -2.128 8.621
111 HA3 GLY 16 HA1 GLY 16 -0.328 -1.027 9.213
112 H SER 17 H SER 17 -1.556 0.758 8.640
113 HA SER 17 HA SER 17 -1.298 1.380 5.819
114 HB2 SER 17 HB2 SER 17 -3.530 2.633 6.094
115 HB3 SER 17 HB1 SER 17 -3.620 0.877 5.982
116 HG SER 17 HG SER 17 -3.340 1.951 8.533
117 H ILE 18 H ILE 18 -0.367 3.356 5.537
118 HA ILE 18 HA ILE 18 -0.290 5.224 7.733
119 HB ILE 18 HB ILE 18 2.222 5.493 7.411
120 HG12 ILE 18 HG12 ILE 18 1.964 2.735 6.178
121 HG13 ILE 18 HG11 ILE 18 2.484 4.198 5.356
122 HG21 ILE 18 HG21 ILE 18 1.372 4.599 9.460
123 HG22 ILE 18 HG22 ILE 18 2.834 3.724 9.003
124 HG23 ILE 18 HG23 ILE 18 1.250 2.991 8.747
125 HD11 ILE 18 HD11 ILE 18 4.367 2.762 5.873
126 HD12 ILE 18 HD12 ILE 18 3.931 2.790 7.581
127 HD13 ILE 18 HD13 ILE 18 4.477 4.269 6.789
128 HA PRO 19 HA PRO 19 -0.510 8.132 4.353
129 HB2 PRO 19 HB2 PRO 19 1.315 9.834 5.972
130 HB3 PRO 19 HB1 PRO 19 -0.280 10.217 5.317
131 HG2 PRO 19 HG2 PRO 19 0.008 9.758 7.914
132 HG3 PRO 19 HG1 PRO 19 -1.394 9.119 7.040
133 HD2 PRO 19 HD2 PRO 19 1.088 7.696 7.923
134 HD3 PRO 19 HD1 PRO 19 -0.610 7.169 7.979
135 H ASP 20 H ASP 20 2.449 7.009 5.623
136 HA ASP 20 HA ASP 20 4.147 8.104 3.509
137 HB2 ASP 20 HB2 ASP 20 4.758 6.249 5.821
138 HB3 ASP 20 HB1 ASP 20 5.952 6.811 4.665
139 H CYS 21 H CYS 21 1.962 6.126 2.962
140 HA CYS 21 HA CYS 21 2.924 3.528 2.698
141 HB2 CYS 21 HB2 CYS 21 0.495 4.541 2.562
142 HB3 CYS 21 HB1 CYS 21 0.823 4.539 0.829
143 H CYS 22 H CYS 22 2.557 5.967 0.079
144 HA CYS 22 HA CYS 22 4.296 4.299 -1.549
145 HB2 CYS 22 HB2 CYS 22 2.624 6.696 -2.242
146 HB3 CYS 22 HB1 CYS 22 3.738 5.944 -3.374
147 H PHE 23 H PHE 23 5.007 6.164 0.740
148 HA PHE 23 HA PHE 23 6.936 7.823 -0.654
149 HB2 PHE 23 HB2 PHE 23 6.068 7.753 2.241
150 HB3 PHE 23 HB1 PHE 23 7.417 8.730 1.676
151 HD1 PHE 23 HD1 PHE 23 7.054 10.810 0.597
152 HD2 PHE 23 HD2 PHE 23 3.738 8.249 1.381
153 HE1 PHE 23 HE1 PHE 23 5.511 12.621 0.011
154 HE2 PHE 23 HE2 PHE 23 2.206 10.059 0.797
155 HZ PHE 23 HZ PHE 23 3.087 12.252 0.109
156 H GLY 24 H GLY 24 6.709 4.785 0.389
157 HA2 GLY 24 HA2 GLY 24 9.597 4.472 0.542
158 HA3 GLY 24 HA1 GLY 24 8.610 3.773 1.829
159 H ARG 25 H ARG 25 9.760 1.819 0.791
160 HA ARG 25 HA ARG 25 8.637 0.901 -1.696
161 HB2 ARG 25 HB2 ARG 25 10.333 -0.475 0.394
162 HB3 ARG 25 HB1 ARG 25 9.800 -1.253 -1.087
163 HG2 ARG 25 HG2 ARG 25 11.052 0.302 -2.415
164 HG3 ARG 25 HG1 ARG 25 11.477 1.240 -0.983
165 HD2 ARG 25 HD2 ARG 25 13.315 -0.207 -1.740
166 HD3 ARG 25 HD1 ARG 25 12.775 -0.603 -0.118
167 HE ARG 25 HE ARG 25 11.490 -2.455 -1.210
168 HH11 ARG 25 HH11 ARG 25 14.370 -1.185 -2.837
169 HH12 ARG 25 HH12 ARG 25 14.854 -2.698 -3.448
170 HH21 ARG 25 HH21 ARG 25 12.169 -4.527 -2.079
171 HH22 ARG 25 HH22 ARG 25 13.599 -4.624 -2.984
172 H GLY 26 H GLY 26 6.561 0.333 -1.748
173 HA2 GLY 26 HA2 GLY 26 5.588 -1.792 -0.181
174 HA3 GLY 26 HA1 GLY 26 4.970 -0.251 0.402
175 H SER 27 H SER 27 3.371 -2.211 -0.637
176 HA SER 27 HA SER 27 2.414 -0.981 -3.136
177 HB2 SER 27 HB2 SER 27 1.841 -3.782 -2.128
178 HB3 SER 27 HB1 SER 27 1.553 -3.126 -3.741
179 HG SER 27 HG SER 27 3.794 -4.175 -2.620
180 H TYR 28 H TYR 28 0.112 -0.560 -3.121
181 HA TYR 28 HA TYR 28 -1.106 -0.978 -0.497
182 HB2 TYR 28 HB2 TYR 28 -2.170 1.168 -0.519
183 HB3 TYR 28 HB1 TYR 28 -0.447 1.409 -0.739
184 HD1 TYR 28 HD1 TYR 28 -3.759 1.910 -2.147
185 HD2 TYR 28 HD2 TYR 28 0.405 2.063 -3.016
186 HE1 TYR 28 HE1 TYR 28 -4.216 3.300 -4.117
187 HE2 TYR 28 HE2 TYR 28 -0.040 3.431 -4.960
188 HH TYR 28 HH TYR 28 -1.838 3.905 -6.475
189 H SER 29 H SER 29 -3.237 -1.382 -0.443
190 HA SER 29 HA SER 29 -4.709 -1.477 -2.951
191 HB2 SER 29 HB2 SER 29 -5.634 -3.689 -2.241
192 HB3 SER 29 HB1 SER 29 -3.900 -3.761 -2.566
193 HG SER 29 HG SER 29 -5.230 -4.263 -0.250
194 H PHE 30 H PHE 30 -7.104 -1.674 -2.374
195 HA PHE 30 HA PHE 30 -7.541 -0.153 0.084
196 HB2 PHE 30 HB2 PHE 30 -9.361 -0.542 -2.304
197 HB3 PHE 30 HB1 PHE 30 -9.731 0.451 -0.897
198 HD1 PHE 30 HD1 PHE 30 -8.091 2.366 -0.376
199 HD2 PHE 30 HD2 PHE 30 -8.284 0.383 -4.128
200 HE1 PHE 30 HE1 PHE 30 -6.987 4.286 -1.440
201 HE2 PHE 30 HE2 PHE 30 -7.176 2.300 -5.205
202 HZ PHE 30 HZ PHE 30 -6.527 4.259 -3.855
203 H GLU 31 H GLU 31 -7.259 -3.131 -0.557
204 HA GLU 31 HA GLU 31 -9.438 -4.001 1.171
205 HB2 GLU 31 HB2 GLU 31 -9.976 -4.499 -1.220
206 HB3 GLU 31 HB1 GLU 31 -8.520 -5.480 -1.303
207 HG2 GLU 31 HG2 GLU 31 -10.586 -6.787 -0.993
208 HG3 GLU 31 HG1 GLU 31 -9.407 -7.023 0.302
209 H LEU 32 H LEU 32 -8.925 -5.744 2.491
210 HA LEU 32 HA LEU 32 -6.107 -5.970 3.111
211 HB2 LEU 32 HB2 LEU 32 -8.567 -7.008 4.497
212 HB3 LEU 32 HB1 LEU 32 -6.934 -7.310 5.054
213 HG LEU 32 HG LEU 32 -8.136 -4.552 4.788
214 HD11 LEU 32 HD11 LEU 32 -9.289 -5.862 6.498
215 HD12 LEU 32 HD12 LEU 32 -8.283 -4.606 7.223
216 HD13 LEU 32 HD13 LEU 32 -7.737 -6.285 7.219
217 HD21 LEU 32 HD21 LEU 32 -5.610 -5.559 6.093
218 HD22 LEU 32 HD22 LEU 32 -6.213 -3.905 6.155
219 HD23 LEU 32 HD23 LEU 32 -5.704 -4.594 4.618
220 H GLN 33 H GLN 33 -4.882 -7.714 3.054
221 HA GLN 33 HA GLN 33 -3.952 -9.535 2.092
222 HB2 GLN 33 HB2 GLN 33 -6.505 -10.774 3.126
223 HB3 GLN 33 HB1 GLN 33 -5.158 -11.716 2.513
224 HG2 GLN 33 HG2 GLN 33 -3.733 -10.817 4.290
225 HG3 GLN 33 HG1 GLN 33 -5.087 -9.862 4.886
226 HE21 GLN 33 1HE2 GLN 33 -3.524 -11.951 6.219
227 HE22 GLN 33 2HE2 GLN 33 -4.673 -13.141 6.723
228 HA PRO 34 HA PRO 34 -6.406 -9.635 -1.822
229 HB2 PRO 34 HB2 PRO 34 -5.429 -7.582 -3.181
230 HB3 PRO 34 HB1 PRO 34 -6.559 -7.301 -1.848
231 HG2 PRO 34 HG2 PRO 34 -3.617 -6.901 -1.952
232 HG3 PRO 34 HG1 PRO 34 -4.843 -5.996 -1.054
233 HD2 PRO 34 HD2 PRO 34 -3.187 -8.106 -0.066
234 HD3 PRO 34 HD1 PRO 34 -4.514 -7.292 0.777
235 HA PRO 35 HA PRO 35 -3.073 -11.494 -4.219
236 HB2 PRO 35 HB2 PRO 35 -4.060 -11.410 -6.727
237 HB3 PRO 35 HB1 PRO 35 -4.748 -12.473 -5.496
238 HG2 PRO 35 HG2 PRO 35 -5.730 -9.835 -6.485
239 HG3 PRO 35 HG1 PRO 35 -6.652 -11.295 -6.090
240 HD2 PRO 35 HD2 PRO 35 -6.405 -9.135 -4.419
241 HD3 PRO 35 HD1 PRO 35 -6.720 -10.789 -3.864
242 HA PRO 36 HA PRO 36 -0.015 -8.560 -5.465
243 HB2 PRO 36 HB2 PRO 36 0.479 -9.660 -8.063
244 HB3 PRO 36 HB1 PRO 36 1.435 -9.875 -6.603
245 HG2 PRO 36 HG2 PRO 36 -0.640 -11.623 -7.780
246 HG3 PRO 36 HG1 PRO 36 0.720 -12.047 -6.730
247 HD2 PRO 36 HD2 PRO 36 -1.781 -12.088 -5.822
248 HD3 PRO 36 HD1 PRO 36 -0.453 -11.505 -4.793
249 H TRP 37 H TRP 37 -2.192 -9.330 -8.155
250 HA TRP 37 HA TRP 37 -1.560 -6.967 -9.572
251 HB2 TRP 37 HB2 TRP 37 -3.464 -7.589 -11.071
252 HB3 TRP 37 HB1 TRP 37 -2.237 -8.829 -10.881
253 HD1 TRP 37 HD TRP 37 -5.900 -8.099 -10.192
254 HE1 TRP 37 HE1 TRP 37 -7.078 -10.287 -9.488
255 HE3 TRP 37 3HE TRP 37 -1.807 -11.116 -9.685
256 HZ2 TRP 37 HZ2 TRP 37 -6.366 -12.932 -8.818
257 HZ3 TRP 37 HZ3 TRP 37 -2.141 -13.458 -9.009
258 HH2 TRP 37 HH TRP 37 -4.375 -14.341 -8.584
259 H GLU 38 H GLU 38 -3.766 -7.507 -7.001
260 HA GLU 38 HA GLU 38 -5.248 -5.144 -7.759
261 HB2 GLU 38 HB2 GLU 38 -5.703 -7.102 -5.513
262 HB3 GLU 38 HB1 GLU 38 -6.645 -5.629 -5.714
263 HG2 GLU 38 HG2 GLU 38 -7.210 -6.442 -8.027
264 HG3 GLU 38 HG1 GLU 38 -6.487 -7.981 -7.578
265 H CYS 39 H CYS 39 -2.447 -5.739 -6.232
266 HA CYS 39 HA CYS 39 -2.726 -3.428 -4.492
267 HB2 CYS 39 HB2 CYS 39 -0.443 -5.365 -4.873
268 HB3 CYS 39 HB1 CYS 39 -0.341 -3.910 -3.890
269 H TYR 40 H TYR 40 -1.975 -1.556 -4.991
270 HA TYR 40 HA TYR 40 -0.877 -1.221 -7.629
271 HB2 TYR 40 HB2 TYR 40 -1.760 0.863 -5.613
272 HB3 TYR 40 HB1 TYR 40 -1.425 1.127 -7.324
273 HD1 TYR 40 HD1 TYR 40 -2.892 -0.172 -9.015
274 HD2 TYR 40 HD2 TYR 40 -3.949 0.345 -4.927
275 HE1 TYR 40 HE1 TYR 40 -5.223 -0.697 -9.559
276 HE2 TYR 40 HE2 TYR 40 -6.286 -0.179 -5.460
277 HH TYR 40 HH TYR 40 -7.788 -0.104 -7.479
278 H GLN 41 H GLN 41 1.179 -1.046 -7.865
279 HA GLN 41 HA GLN 41 2.930 -1.192 -5.604
280 HB2 GLN 41 HB2 GLN 41 3.499 -1.052 -8.556
281 HB3 GLN 41 HB1 GLN 41 4.697 -1.369 -7.313
282 HG2 GLN 41 HG2 GLN 41 3.558 -3.435 -6.714
283 HG3 GLN 41 HG1 GLN 41 2.309 -3.101 -7.905
284 HE21 GLN 41 1HE2 GLN 41 4.152 -2.089 -9.920
285 HE22 GLN 41 2HE2 GLN 41 4.994 -3.453 -10.530
286 H CYS 42 H CYS 42 3.585 0.603 -4.538
287 HA CYS 42 HA CYS 42 3.641 3.142 -5.798
288 HB2 CYS 42 HB2 CYS 42 4.982 2.270 -3.222
289 HB3 CYS 42 HB1 CYS 42 4.591 3.915 -3.703
Start of MODEL 20
1 H PCA 1 H PGL 1 -9.014 6.675 3.875
2 HA PCA 1 HA PGL 1 -7.630 8.264 2.387
3 HB2 PCA 1 HB1 PGL 1 -7.008 10.152 3.486
4 HB3 PCA 1 HB2 PGL 1 -5.962 9.168 4.546
5 HG2 PCA 1 HG1 PGL 1 -8.464 10.425 5.239
6 HG3 PCA 1 HG2 PGL 1 -7.453 9.340 6.251
7 H GLU 2 H GLU 2 -6.981 6.254 5.126
8 HA GLU 2 HA GLU 2 -4.283 5.656 4.391
9 HB2 GLU 2 HB2 GLU 2 -6.125 4.157 6.262
10 HB3 GLU 2 HB1 GLU 2 -4.407 3.896 6.093
11 HG2 GLU 2 HG2 GLU 2 -4.792 5.118 8.105
12 HG3 GLU 2 HG1 GLU 2 -4.025 6.198 6.950
13 H ALA 3 H ALA 3 -3.601 4.167 2.995
14 HA ALA 3 HA ALA 3 -5.546 2.236 1.976
15 HB1 ALA 3 HB1 ALA 3 -4.477 3.663 0.280
16 HB2 ALA 3 HB2 ALA 3 -3.987 1.981 0.099
17 HB3 ALA 3 HB3 ALA 3 -2.886 3.143 0.844
18 H PHE 4 H PHE 4 -4.807 0.007 1.848
19 HA PHE 4 HA PHE 4 -3.238 -0.658 4.165
20 HB2 PHE 4 HB2 PHE 4 -4.460 -2.469 2.064
21 HB3 PHE 4 HB1 PHE 4 -3.785 -2.989 3.601
22 HD1 PHE 4 HD1 PHE 4 -6.704 -2.039 1.898
23 HD2 PHE 4 HD2 PHE 4 -4.888 -1.951 5.734
24 HE1 PHE 4 HE1 PHE 4 -8.914 -1.742 2.931
25 HE2 PHE 4 HE2 PHE 4 -7.097 -1.658 6.775
26 HZ PHE 4 HZ PHE 4 -9.113 -1.555 5.375
27 H CYS 5 H CYS 5 -1.139 -0.889 4.143
28 HA CYS 5 HA CYS 5 0.137 -0.970 1.531
29 HB2 CYS 5 HB2 CYS 5 1.147 0.074 4.160
30 HB3 CYS 5 HB1 CYS 5 2.086 0.012 2.670
31 H TYR 6 H TYR 6 1.328 -2.504 0.952
32 HA TYR 6 HA TYR 6 2.316 -4.491 2.892
33 HB2 TYR 6 HB2 TYR 6 1.519 -4.933 0.032
34 HB3 TYR 6 HB1 TYR 6 1.955 -6.178 1.206
35 HD1 TYR 6 HD1 TYR 6 -0.713 -4.008 -0.006
36 HD2 TYR 6 HD2 TYR 6 0.375 -6.802 3.003
37 HE1 TYR 6 HE1 TYR 6 -3.044 -4.228 0.615
38 HE2 TYR 6 HE2 TYR 6 -1.967 -7.031 3.641
39 HH TYR 6 HH TYR 6 -4.552 -5.621 1.743
40 H SER 7 H SER 7 4.385 -4.417 2.971
41 HA SER 7 HA SER 7 6.012 -2.980 1.045
42 HB2 SER 7 HB2 SER 7 6.651 -4.520 3.523
43 HB3 SER 7 HB1 SER 7 7.875 -3.606 2.612
44 HG SER 7 HG SER 7 6.224 -1.825 2.896
45 H ASP 8 H ASP 8 4.694 -5.434 0.253
46 HA ASP 8 HA ASP 8 6.916 -6.749 -1.032
47 HB2 ASP 8 HB2 ASP 8 6.454 -8.206 0.868
48 HB3 ASP 8 HB1 ASP 8 4.728 -8.133 0.548
49 H ARG 9 H ARG 9 6.386 -7.053 -3.122
50 HA ARG 9 HA ARG 9 3.998 -5.830 -3.999
51 HB2 ARG 9 HB2 ARG 9 6.296 -7.028 -5.464
52 HB3 ARG 9 HB1 ARG 9 4.840 -6.518 -6.315
53 HG2 ARG 9 HG2 ARG 9 5.087 -4.273 -5.271
54 HG3 ARG 9 HG1 ARG 9 6.631 -4.801 -4.613
55 HD2 ARG 9 HD2 ARG 9 7.540 -5.076 -6.796
56 HD3 ARG 9 HD1 ARG 9 5.940 -4.840 -7.520
57 HE ARG 9 HE ARG 9 6.457 -2.579 -6.040
58 HH11 ARG 9 HH11 ARG 9 8.071 -4.123 -8.779
59 HH12 ARG 9 HH12 ARG 9 8.544 -2.680 -9.515
60 HH21 ARG 9 HH21 ARG 9 7.087 -0.509 -7.088
61 HH22 ARG 9 HH22 ARG 9 7.950 -0.605 -8.542
62 H PHE 10 H PHE 10 4.535 -8.980 -3.035
63 HA PHE 10 HA PHE 10 2.428 -10.010 -4.752
64 HB2 PHE 10 HB2 PHE 10 4.049 -11.376 -2.597
65 HB3 PHE 10 HB1 PHE 10 2.892 -12.166 -3.659
66 HD1 PHE 10 HD1 PHE 10 3.384 -12.300 -6.098
67 HD2 PHE 10 HD2 PHE 10 6.253 -10.989 -3.258
68 HE1 PHE 10 HE1 PHE 10 5.169 -12.744 -7.708
69 HE2 PHE 10 HE2 PHE 10 8.054 -11.430 -4.863
70 HZ PHE 10 HZ PHE 10 7.511 -12.315 -7.101
71 H CYS 11 H CYS 11 2.550 -8.079 -2.254
72 HA CYS 11 HA CYS 11 0.995 -7.255 -0.813
73 HB2 CYS 11 HB2 CYS 11 -0.774 -9.558 -1.645
74 HB3 CYS 11 HB1 CYS 11 -1.272 -8.083 -0.827
75 H GLN 12 H GLN 12 2.885 -9.674 -0.199
76 HA GLN 12 HA GLN 12 1.296 -10.920 1.874
77 HB2 GLN 12 HB2 GLN 12 4.076 -11.599 0.973
78 HB3 GLN 12 HB1 GLN 12 3.107 -12.521 2.112
79 HG2 GLN 12 HG2 GLN 12 2.531 -12.064 -0.803
80 HG3 GLN 12 HG1 GLN 12 3.000 -13.577 -0.035
81 HE21 GLN 12 1HE2 GLN 12 0.682 -12.803 -1.597
82 HE22 GLN 12 2HE2 GLN 12 -0.707 -13.219 -0.686
83 H ASN 13 H ASN 13 3.071 -8.189 1.893
84 HA ASN 13 HA ASN 13 3.845 -8.741 4.673
85 HB2 ASN 13 HB2 ASN 13 5.375 -7.113 2.668
86 HB3 ASN 13 HB1 ASN 13 5.577 -6.843 4.387
87 HD21 ASN 13 HD21 ASN 13 7.666 -7.486 4.413
88 HD22 ASN 13 HD22 ASN 13 8.190 -9.110 4.178
89 H TYR 14 H TYR 14 1.873 -8.044 5.422
90 HA TYR 14 HA TYR 14 0.887 -5.426 4.854
91 HB2 TYR 14 HB2 TYR 14 -0.631 -7.249 5.536
92 HB3 TYR 14 HB1 TYR 14 0.181 -7.350 7.091
93 HD1 TYR 14 HD1 TYR 14 -1.815 -5.019 4.964
94 HD2 TYR 14 HD2 TYR 14 -0.604 -6.081 8.905
95 HE1 TYR 14 HE1 TYR 14 -3.389 -3.395 5.872
96 HE2 TYR 14 HE2 TYR 14 -2.188 -4.458 9.835
97 HH TYR 14 HH TYR 14 -4.653 -3.014 8.090
98 H ILE 15 H ILE 15 1.629 -3.586 5.693
99 HA ILE 15 HA ILE 15 3.167 -3.747 8.209
100 HB ILE 15 HB ILE 15 4.323 -1.685 7.534
101 HG12 ILE 15 HG12 ILE 15 2.805 -1.984 4.923
102 HG13 ILE 15 HG11 ILE 15 2.514 -0.738 6.126
103 HG21 ILE 15 HG21 ILE 15 5.671 -2.668 5.731
104 HG22 ILE 15 HG22 ILE 15 4.417 -3.879 5.475
105 HG23 ILE 15 HG23 ILE 15 5.301 -3.839 6.999
106 HD11 ILE 15 HD11 ILE 15 4.771 0.136 5.732
107 HD12 ILE 15 HD12 ILE 15 3.785 0.134 4.273
108 HD13 ILE 15 HD13 ILE 15 5.020 -1.104 4.502
109 H GLY 16 H GLY 16 0.291 -2.809 6.981
110 HA2 GLY 16 HA2 GLY 16 -1.190 -1.925 8.777
111 HA3 GLY 16 HA1 GLY 16 -0.002 -0.627 8.916
112 H SER 17 H SER 17 -1.878 0.727 8.414
113 HA SER 17 HA SER 17 -2.128 0.952 5.526
114 HB2 SER 17 HB2 SER 17 -4.523 1.718 6.002
115 HB3 SER 17 HB1 SER 17 -4.197 -0.004 6.169
116 HG SER 17 HG SER 17 -3.989 1.720 8.388
117 H ILE 18 H ILE 18 -1.735 2.941 4.783
118 HA ILE 18 HA ILE 18 -1.954 5.245 6.497
119 HB ILE 18 HB ILE 18 0.410 5.983 5.755
120 HG12 ILE 18 HG12 ILE 18 0.691 2.993 5.391
121 HG13 ILE 18 HG11 ILE 18 0.867 4.225 4.151
122 HG21 ILE 18 HG21 ILE 18 -0.100 5.607 8.070
123 HG22 ILE 18 HG22 ILE 18 1.504 4.970 7.706
124 HG23 ILE 18 HG23 ILE 18 0.135 3.870 7.874
125 HD11 ILE 18 HD11 ILE 18 2.670 3.835 6.528
126 HD12 ILE 18 HD12 ILE 18 2.863 5.063 5.274
127 HD13 ILE 18 HD13 ILE 18 3.011 3.352 4.866
128 HA PRO 19 HA PRO 19 -2.915 7.027 2.507
129 HB2 PRO 19 HB2 PRO 19 -1.952 9.647 3.406
130 HB3 PRO 19 HB1 PRO 19 -3.608 9.135 3.071
131 HG2 PRO 19 HG2 PRO 19 -2.753 9.663 5.577
132 HG3 PRO 19 HG1 PRO 19 -3.964 8.414 5.234
133 HD2 PRO 19 HD2 PRO 19 -1.026 8.114 5.729
134 HD3 PRO 19 HD1 PRO 19 -2.373 7.165 6.394
135 H ASP 20 H ASP 20 0.143 7.682 4.013
136 HA ASP 20 HA ASP 20 1.456 8.447 1.523
137 HB2 ASP 20 HB2 ASP 20 2.556 8.079 4.325
138 HB3 ASP 20 HB1 ASP 20 3.487 8.644 2.952
139 H CYS 21 H CYS 21 1.107 6.394 0.483
140 HA CYS 21 HA CYS 21 2.401 4.175 1.870
141 HB2 CYS 21 HB2 CYS 21 0.004 4.035 0.987
142 HB3 CYS 21 HB1 CYS 21 0.738 3.895 -0.610
143 H CYS 22 H CYS 22 2.462 5.872 -1.230
144 HA CYS 22 HA CYS 22 4.524 4.128 -2.237
145 HB2 CYS 22 HB2 CYS 22 3.194 6.550 -3.434
146 HB3 CYS 22 HB1 CYS 22 4.366 5.540 -4.276
147 H PHE 23 H PHE 23 4.983 6.042 0.068
148 HA PHE 23 HA PHE 23 7.323 7.377 -1.095
149 HB2 PHE 23 HB2 PHE 23 5.818 8.044 1.448
150 HB3 PHE 23 HB1 PHE 23 7.290 8.847 0.914
151 HD1 PHE 23 HD1 PHE 23 3.770 8.918 0.852
152 HD2 PHE 23 HD2 PHE 23 7.196 9.912 -1.464
153 HE1 PHE 23 HE1 PHE 23 2.425 10.490 -0.455
154 HE2 PHE 23 HE2 PHE 23 5.855 11.498 -2.776
155 HZ PHE 23 HZ PHE 23 3.460 11.790 -2.272
156 H GLY 24 H GLY 24 6.524 4.658 0.222
157 HA2 GLY 24 HA2 GLY 24 9.116 4.228 1.418
158 HA3 GLY 24 HA1 GLY 24 7.700 3.896 2.420
159 H ARG 25 H ARG 25 8.813 1.702 2.186
160 HA ARG 25 HA ARG 25 8.480 0.354 -0.278
161 HB2 ARG 25 HB2 ARG 25 8.940 -0.659 2.517
162 HB3 ARG 25 HB1 ARG 25 8.818 -1.727 1.128
163 HG2 ARG 25 HG2 ARG 25 10.745 -0.633 0.111
164 HG3 ARG 25 HG1 ARG 25 10.851 0.455 1.497
165 HD2 ARG 25 HD2 ARG 25 11.310 -1.364 2.969
166 HD3 ARG 25 HD1 ARG 25 11.021 -2.541 1.690
167 HE ARG 25 HE ARG 25 13.027 -0.896 0.786
168 HH11 ARG 25 HH11 ARG 25 12.561 -3.002 3.584
169 HH12 ARG 25 HH12 ARG 25 14.175 -3.532 3.650
170 HH21 ARG 25 HH21 ARG 25 15.306 -1.634 0.870
171 HH22 ARG 25 HH22 ARG 25 15.752 -2.738 2.088
172 H GLY 26 H GLY 26 6.515 -0.094 -1.152
173 HA2 GLY 26 HA2 GLY 26 4.654 -1.596 0.297
174 HA3 GLY 26 HA1 GLY 26 4.192 0.086 0.354
175 H SER 27 H SER 27 2.994 -2.235 -0.720
176 HA SER 27 HA SER 27 2.220 -1.178 -3.332
177 HB2 SER 27 HB2 SER 27 1.761 -3.975 -2.215
178 HB3 SER 27 HB1 SER 27 1.550 -3.431 -3.878
179 HG SER 27 HG SER 27 3.735 -4.375 -2.622
180 H TYR 28 H TYR 28 -0.003 -0.644 -3.246
181 HA TYR 28 HA TYR 28 -1.174 -1.048 -0.589
182 HB2 TYR 28 HB2 TYR 28 -2.170 1.145 -0.603
183 HB3 TYR 28 HB1 TYR 28 -0.442 1.270 -0.838
184 HD1 TYR 28 HD1 TYR 28 -3.712 2.005 -2.168
185 HD2 TYR 28 HD2 TYR 28 0.448 1.933 -3.182
186 HE1 TYR 28 HE1 TYR 28 -4.140 3.479 -4.068
187 HE2 TYR 28 HE2 TYR 28 0.016 3.387 -5.057
188 HH TYR 28 HH TYR 28 -1.957 3.976 -6.534
189 H SER 29 H SER 29 -3.300 -1.409 -0.359
190 HA SER 29 HA SER 29 -4.917 -1.526 -2.773
191 HB2 SER 29 HB2 SER 29 -5.842 -3.722 -2.009
192 HB3 SER 29 HB1 SER 29 -4.127 -3.816 -2.403
193 HG SER 29 HG SER 29 -5.379 -4.298 -0.052
194 H PHE 30 H PHE 30 -7.278 -1.833 -2.073
195 HA PHE 30 HA PHE 30 -7.719 -0.210 0.322
196 HB2 PHE 30 HB2 PHE 30 -9.443 -0.521 -2.153
197 HB3 PHE 30 HB1 PHE 30 -9.875 0.430 -0.734
198 HD1 PHE 30 HD1 PHE 30 -8.593 2.453 -0.166
199 HD2 PHE 30 HD2 PHE 30 -7.936 0.325 -3.788
200 HE1 PHE 30 HE1 PHE 30 -7.425 4.399 -1.093
201 HE2 PHE 30 HE2 PHE 30 -6.761 2.275 -4.722
202 HZ PHE 30 HZ PHE 30 -6.505 4.315 -3.371
203 H GLU 31 H GLU 31 -7.637 -3.229 -0.560
204 HA GLU 31 HA GLU 31 -9.732 -4.090 1.316
205 HB2 GLU 31 HB2 GLU 31 -8.883 -5.387 -1.264
206 HB3 GLU 31 HB1 GLU 31 -9.871 -6.185 -0.059
207 HG2 GLU 31 HG2 GLU 31 -10.687 -3.614 -1.338
208 HG3 GLU 31 HG1 GLU 31 -11.024 -5.182 -2.080
209 H LEU 32 H LEU 32 -9.217 -6.255 2.138
210 HA LEU 32 HA LEU 32 -6.349 -6.512 2.672
211 HB2 LEU 32 HB2 LEU 32 -8.749 -7.586 4.159
212 HB3 LEU 32 HB1 LEU 32 -7.088 -7.945 4.584
213 HG LEU 32 HG LEU 32 -8.302 -5.176 4.617
214 HD11 LEU 32 HD11 LEU 32 -9.295 -6.618 6.316
215 HD12 LEU 32 HD12 LEU 32 -8.246 -5.401 7.039
216 HD13 LEU 32 HD13 LEU 32 -7.686 -7.066 6.877
217 HD21 LEU 32 HD21 LEU 32 -5.892 -5.168 4.235
218 HD22 LEU 32 HD22 LEU 32 -5.658 -6.228 5.623
219 HD23 LEU 32 HD23 LEU 32 -6.271 -4.592 5.857
220 H GLN 33 H GLN 33 -5.546 -8.752 2.886
221 HA GLN 33 HA GLN 33 -4.894 -10.591 1.804
222 HB2 GLN 33 HB2 GLN 33 -7.858 -11.154 1.873
223 HB3 GLN 33 HB1 GLN 33 -6.629 -12.354 1.517
224 HG2 GLN 33 HG2 GLN 33 -5.694 -12.062 3.744
225 HG3 GLN 33 HG1 GLN 33 -6.907 -10.830 4.095
226 HE21 GLN 33 1HE2 GLN 33 -9.034 -11.443 4.329
227 HE22 GLN 33 2HE2 GLN 33 -9.491 -13.069 4.667
228 HA PRO 34 HA PRO 34 -6.104 -9.424 -2.475
229 HB2 PRO 34 HB2 PRO 34 -4.200 -7.515 -2.966
230 HB3 PRO 34 HB1 PRO 34 -5.802 -7.176 -2.313
231 HG2 PRO 34 HG2 PRO 34 -3.277 -6.867 -0.988
232 HG3 PRO 34 HG1 PRO 34 -4.890 -6.567 -0.330
233 HD2 PRO 34 HD2 PRO 34 -3.156 -8.970 -0.060
234 HD3 PRO 34 HD1 PRO 34 -4.396 -8.336 1.048
235 HA PRO 35 HA PRO 35 -2.547 -11.576 -4.262
236 HB2 PRO 35 HB2 PRO 35 -3.447 -11.714 -6.805
237 HB3 PRO 35 HB1 PRO 35 -4.108 -12.748 -5.534
238 HG2 PRO 35 HG2 PRO 35 -5.245 -10.277 -6.750
239 HG3 PRO 35 HG1 PRO 35 -6.071 -11.752 -6.225
240 HD2 PRO 35 HD2 PRO 35 -5.959 -9.406 -4.771
241 HD3 PRO 35 HD1 PRO 35 -6.266 -11.018 -4.095
242 HA PRO 36 HA PRO 36 0.287 -8.476 -5.639
243 HB2 PRO 36 HB2 PRO 36 0.826 -9.575 -8.237
244 HB3 PRO 36 HB1 PRO 36 1.828 -9.646 -6.792
245 HG2 PRO 36 HG2 PRO 36 -0.054 -11.646 -7.877
246 HG3 PRO 36 HG1 PRO 36 1.337 -11.881 -6.809
247 HD2 PRO 36 HD2 PRO 36 -1.176 -12.134 -5.923
248 HD3 PRO 36 HD1 PRO 36 0.092 -11.428 -4.896
249 H TRP 37 H TRP 37 -1.962 -9.393 -8.228
250 HA TRP 37 HA TRP 37 -1.573 -6.975 -9.650
251 HB2 TRP 37 HB2 TRP 37 -3.595 -7.713 -11.013
252 HB3 TRP 37 HB1 TRP 37 -2.186 -8.760 -11.020
253 HD1 TRP 37 HD TRP 37 -5.830 -8.652 -9.896
254 HE1 TRP 37 HE1 TRP 37 -6.549 -11.036 -9.229
255 HE3 TRP 37 3HE TRP 37 -1.274 -10.943 -10.091
256 HZ2 TRP 37 HZ2 TRP 37 -5.317 -13.559 -8.841
257 HZ3 TRP 37 HZ3 TRP 37 -1.125 -13.340 -9.560
258 HH2 TRP 37 HH TRP 37 -3.107 -14.615 -8.950
259 H GLU 38 H GLU 38 -3.635 -7.693 -6.992
260 HA GLU 38 HA GLU 38 -5.286 -5.415 -7.635
261 HB2 GLU 38 HB2 GLU 38 -5.388 -7.323 -5.312
262 HB3 GLU 38 HB1 GLU 38 -6.361 -5.863 -5.382
263 HG2 GLU 38 HG2 GLU 38 -7.281 -6.718 -7.567
264 HG3 GLU 38 HG1 GLU 38 -6.483 -8.247 -7.204
265 H CYS 39 H CYS 39 -2.483 -6.092 -5.811
266 HA CYS 39 HA CYS 39 -2.723 -3.678 -4.269
267 HB2 CYS 39 HB2 CYS 39 -0.374 -5.524 -4.688
268 HB3 CYS 39 HB1 CYS 39 -0.365 -4.107 -3.646
269 H TYR 40 H TYR 40 -2.223 -1.764 -4.931
270 HA TYR 40 HA TYR 40 -1.050 -1.344 -7.491
271 HB2 TYR 40 HB2 TYR 40 -1.679 0.616 -5.274
272 HB3 TYR 40 HB1 TYR 40 -1.245 1.035 -6.924
273 HD1 TYR 40 HD1 TYR 40 -2.831 0.607 -8.760
274 HD2 TYR 40 HD2 TYR 40 -3.888 -0.074 -4.707
275 HE1 TYR 40 HE1 TYR 40 -5.181 0.577 -9.389
276 HE2 TYR 40 HE2 TYR 40 -6.258 -0.111 -5.322
277 HH TYR 40 HH TYR 40 -7.297 -0.243 -8.576
278 H GLN 41 H GLN 41 0.892 -2.051 -7.505
279 HA GLN 41 HA GLN 41 2.769 -1.871 -5.380
280 HB2 GLN 41 HB2 GLN 41 3.229 -2.421 -8.313
281 HB3 GLN 41 HB1 GLN 41 4.306 -2.832 -6.987
282 HG2 GLN 41 HG2 GLN 41 2.725 -4.433 -6.132
283 HG3 GLN 41 HG1 GLN 41 1.534 -3.951 -7.336
284 HE21 GLN 41 1HE2 GLN 41 2.654 -6.583 -6.854
285 HE22 GLN 41 2HE2 GLN 41 3.415 -7.043 -8.315
286 H CYS 42 H CYS 42 3.436 0.116 -4.806
287 HA CYS 42 HA CYS 42 3.464 2.329 -6.421
288 HB2 CYS 42 HB2 CYS 42 5.102 1.740 -3.950
289 HB3 CYS 42 HB1 CYS 42 4.886 3.341 -4.655