Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14465 | 1wt7 RC | 6389 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TRP 1 HT1 TRP 1 7.846 1.292 10.807
2 2H TRP 1 HT2 TRP 1 7.636 1.186 9.104
3 3H TRP 1 HT3 TRP 1 7.320 -0.176 10.091
4 HA TRP 1 HA TRP 1 5.309 0.820 9.390
5 1HB TRP 1 HB2 TRP 1 5.976 1.208 12.306
6 2HB TRP 1 HB1 TRP 1 4.339 1.329 11.670
7 HD1 TRP 1 HD1 TRP 1 3.586 -1.033 10.217
8 HE1 TRP 1 HE1 TRP 1 3.871 -3.459 11.023
9 HE3 TRP 1 HE3 TRP 1 7.221 -0.296 13.731
10 HZ2 TRP 1 HZ2 TRP 1 5.422 -4.873 12.905
11 HZ3 TRP 1 HZ3 TRP 1 8.050 -2.239 14.991
12 HH2 TRP 1 HH2 TRP 1 7.164 -4.479 14.589
13 H CYS 2 HN CYS 2 3.999 2.589 9.111
14 HA CYS 2 HA CYS 2 5.336 5.176 9.214
15 1HB CYS 2 HB2 CYS 2 3.463 5.972 7.851
16 2HB CYS 2 HB1 CYS 2 4.220 4.567 7.140
17 H SER 3 HN SER 3 4.936 6.667 10.723
18 HA SER 3 HA SER 3 3.030 6.017 12.817
19 1HB SER 3 HB2 SER 3 3.984 8.126 13.855
20 2HB SER 3 HB1 SER 3 5.141 6.832 13.542
21 HG SER 3 HG SER 3 5.767 9.021 12.862
22 H THR 4 HN THR 4 3.309 8.211 10.112
23 HA THR 4 HA THR 4 1.028 9.809 10.944
24 HB THR 4 HB THR 4 2.415 9.888 8.240
25 HG1 THR 4 HG1 THR 4 3.222 11.192 10.666
26 1HG2 THR 4 HG21 THR 4 0.354 11.219 8.479
27 2HG2 THR 4 HG22 THR 4 1.774 12.247 8.319
28 3HG2 THR 4 HG23 THR 4 1.034 12.009 9.900
29 H CYS 5 HN CYS 5 0.125 7.304 10.894
30 HA CYS 5 HA CYS 5 -1.552 7.201 8.495
31 1HB CYS 5 HB2 CYS 5 -0.067 4.870 9.706
32 2HB CYS 5 HB1 CYS 5 -1.316 4.724 8.471
33 H LEU 6 HN LEU 6 -3.410 7.838 9.474
34 HA LEU 6 HA LEU 6 -4.347 6.143 11.711
35 1HB LEU 6 HB2 LEU 6 -4.228 8.571 12.211
36 2HB LEU 6 HB1 LEU 6 -5.334 8.887 10.898
37 HG LEU 6 HG LEU 6 -7.032 7.446 12.087
38 1HD1 LEU 6 HD11 LEU 6 -5.523 6.133 13.447
39 2HD1 LEU 6 HD12 LEU 6 -6.646 7.014 14.475
40 3HD1 LEU 6 HD13 LEU 6 -4.985 7.582 14.297
41 1HD2 LEU 6 HD21 LEU 6 -6.015 9.851 13.600
42 2HD2 LEU 6 HD22 LEU 6 -7.630 9.150 13.718
43 3HD2 LEU 6 HD23 LEU 6 -7.099 9.887 12.208
44 H ASP 7 HN ASP 7 -5.874 8.121 9.186
45 HA ASP 7 HA ASP 7 -7.072 5.753 7.996
46 1HB ASP 7 HB2 ASP 7 -8.679 6.431 9.762
47 2HB ASP 7 HB1 ASP 7 -8.794 8.029 9.032
48 H LEU 8 HN LEU 8 -6.062 6.136 6.100
49 HA LEU 8 HA LEU 8 -6.308 8.799 4.871
50 1HB LEU 8 HB2 LEU 8 -4.559 6.445 4.150
51 2HB LEU 8 HB1 LEU 8 -4.632 7.958 3.264
52 HG LEU 8 HG LEU 8 -3.901 9.099 5.439
53 1HD1 LEU 8 HD11 LEU 8 -3.320 6.228 6.138
54 2HD1 LEU 8 HD12 LEU 8 -4.236 7.419 7.063
55 3HD1 LEU 8 HD13 LEU 8 -2.504 7.598 6.882
56 1HD2 LEU 8 HD21 LEU 8 -1.992 7.233 4.037
57 2HD2 LEU 8 HD22 LEU 8 -1.555 8.665 4.972
58 3HD2 LEU 8 HD23 LEU 8 -2.473 8.836 3.478
59 H ALA 9 HN ALA 9 -8.655 7.376 4.963
60 HA ALA 9 HA ALA 9 -9.248 5.595 2.957
61 1HB ALA 9 HB1 ALA 9 -11.581 6.279 3.264
62 2HB ALA 9 HB2 ALA 9 -11.039 7.690 4.173
63 3HB ALA 9 HB3 ALA 9 -10.739 6.069 4.798
64 H CYS 10 HN CYS 10 -8.108 6.282 1.095
65 HA CYS 10 HA CYS 10 -7.839 7.226 -0.902
66 1HB CYS 10 HB2 CYS 10 -10.788 7.748 -0.533
67 2HB CYS 10 HB1 CYS 10 -9.946 8.275 -1.980
68 H THR 11 HN THR 11 -6.767 8.611 1.051
69 HA THR 11 HA THR 11 -7.420 11.436 0.713
70 HB THR 11 HB THR 11 -4.929 10.207 1.971
71 HG1 THR 11 HG1 THR 11 -7.413 10.902 3.223
72 1HG2 THR 11 HG21 THR 11 -6.238 12.918 2.248
73 2HG2 THR 11 HG22 THR 11 -4.680 12.563 1.502
74 3HG2 THR 11 HG23 THR 11 -4.898 12.336 3.234
75 H GLY 12 HN GLY 12 -5.812 8.939 -0.867
76 1HA GLY 12 HA2 GLY 12 -5.241 9.818 -3.207
77 2HA GLY 12 HA1 GLY 12 -3.974 10.675 -2.335
78 H SER 13 HN SER 13 -4.425 8.034 -4.158
79 HA SER 13 HA SER 13 -3.162 5.963 -2.711
80 1HB SER 13 HB2 SER 13 -3.045 6.486 -5.694
81 2HB SER 13 HB1 SER 13 -2.718 4.951 -4.882
82 HG SER 13 HG SER 13 -4.884 5.223 -5.779
83 H LYS 14 HN LYS 14 -1.879 8.546 -4.780
84 HA LYS 14 HA LYS 14 0.845 7.827 -4.531
85 1HB LYS 14 HB2 LYS 14 -0.418 10.503 -5.100
86 2HB LYS 14 HB1 LYS 14 1.298 10.144 -5.284
87 1HG LYS 14 HG2 LYS 14 0.784 8.490 -6.995
88 2HG LYS 14 HG1 LYS 14 -0.941 8.818 -6.803
89 1HD LYS 14 HD2 LYS 14 -0.561 11.148 -7.493
90 2HD LYS 14 HD1 LYS 14 1.156 10.796 -7.707
91 1HE LYS 14 HE2 LYS 14 0.614 9.165 -9.438
92 2HE LYS 14 HE1 LYS 14 -1.108 9.475 -9.206
93 1HZ LYS 14 HZ1 LYS 14 -0.241 10.676 -11.100
94 2HZ LYS 14 HZ2 LYS 14 0.900 11.460 -10.130
95 3HZ LYS 14 HZ3 LYS 14 -0.753 11.759 -9.907
96 H ASP 15 HN ASP 15 -1.368 9.519 -2.461
97 HA ASP 15 HA ASP 15 0.614 10.684 -0.756
98 1HB ASP 15 HB2 ASP 15 -1.811 11.439 -0.901
99 2HB ASP 15 HB1 ASP 15 -2.245 9.999 0.010
100 H CYS 16 HN CYS 16 -1.317 7.732 -0.804
101 HA CYS 16 HA CYS 16 -0.332 6.757 1.705
102 1HB CYS 16 HB2 CYS 16 -1.915 5.449 -0.506
103 2HB CYS 16 HB1 CYS 16 -1.515 4.649 1.012
104 H TYR 17 HN TYR 17 0.933 6.753 -1.473
105 HA TYR 17 HA TYR 17 2.363 4.360 -1.577
106 1HB TYR 17 HB2 TYR 17 2.907 7.125 -2.643
107 2HB TYR 17 HB1 TYR 17 4.099 5.856 -2.854
108 HD1 TYR 17 HD1 TYR 17 3.325 6.950 -5.266
109 HD2 TYR 17 HD2 TYR 17 1.142 4.090 -2.971
110 HE1 TYR 17 HE1 TYR 17 2.185 6.171 -7.296
111 HE2 TYR 17 HE2 TYR 17 0.025 3.330 -4.987
112 HH TYR 17 HH TYR 17 -0.378 4.813 -7.562
113 H ALA 18 HN ALA 18 3.289 7.414 -0.025
114 HA ALA 18 HA ALA 18 5.831 6.476 0.809
115 1HB ALA 18 HB1 ALA 18 5.387 8.447 2.583
116 2HB ALA 18 HB2 ALA 18 4.173 8.855 1.369
117 3HB ALA 18 HB3 ALA 18 5.863 8.712 0.909
118 HA PRO 19 HA PRO 19 3.558 5.630 5.177
119 1HB PRO 19 HB2 PRO 19 0.918 5.051 3.862
120 2HB PRO 19 HB1 PRO 19 1.278 5.639 5.459
121 1HG PRO 19 HG2 PRO 19 0.434 7.307 3.622
122 2HG PRO 19 HG1 PRO 19 1.706 7.794 4.755
123 1HD PRO 19 HD2 PRO 19 1.939 7.015 1.906
124 2HD PRO 19 HD1 PRO 19 2.849 8.195 2.831
125 H CYS 20 HN CYS 20 2.292 4.041 2.228
126 HA CYS 20 HA CYS 20 2.307 1.427 3.293
127 1HB CYS 20 HB2 CYS 20 1.031 2.035 1.291
128 2HB CYS 20 HB1 CYS 20 2.526 2.314 0.406
129 H ARG 21 HN ARG 21 4.734 3.273 1.483
130 HA ARG 21 HA ARG 21 6.683 1.244 1.241
131 1HB ARG 21 HB2 ARG 21 6.883 3.317 0.026
132 2HB ARG 21 HB1 ARG 21 6.946 4.243 1.488
133 1HG ARG 21 HG2 ARG 21 9.097 3.018 2.030
134 2HG ARG 21 HG1 ARG 21 9.032 2.392 0.383
135 1HD ARG 21 HD2 ARG 21 9.062 5.297 1.155
136 2HD ARG 21 HD1 ARG 21 10.460 4.380 0.649
137 HE ARG 21 HE ARG 21 9.361 4.055 -1.527
138 1HH1 ARG 21 HH11 ARG 21 8.333 6.755 0.484
139 2HH1 ARG 21 HH12 ARG 21 7.793 7.683 -0.854
140 1HH2 ARG 21 HH21 ARG 21 8.660 5.338 -3.289
141 2HH2 ARG 21 HH22 ARG 21 7.969 6.898 -2.991
142 H LYS 22 HN LYS 22 6.063 3.673 3.743
143 HA LYS 22 HA LYS 22 8.262 2.892 5.381
144 1HB LYS 22 HB2 LYS 22 7.108 5.150 5.292
145 2HB LYS 22 HB1 LYS 22 5.819 4.441 6.239
146 1HG LYS 22 HG2 LYS 22 7.389 3.961 8.042
147 2HG LYS 22 HG1 LYS 22 8.700 4.625 7.062
148 1HD LYS 22 HD2 LYS 22 7.468 6.792 7.012
149 2HD LYS 22 HD1 LYS 22 6.311 6.121 8.136
150 1HE LYS 22 HE2 LYS 22 7.971 7.453 9.300
151 2HE LYS 22 HE1 LYS 22 8.119 5.759 9.765
152 1HZ LYS 22 HZ1 LYS 22 10.239 6.981 9.250
153 2HZ LYS 22 HZ2 LYS 22 9.784 6.963 7.623
154 3HZ LYS 22 HZ3 LYS 22 10.028 5.507 8.455
155 H GLN 23 HN GLN 23 5.109 1.613 4.939
156 HA GLN 23 HA GLN 23 5.007 0.364 7.553
157 1HB GLN 23 HB2 GLN 23 3.067 1.239 5.802
158 2HB GLN 23 HB1 GLN 23 3.034 -0.484 5.537
159 1HG GLN 23 HG2 GLN 23 2.943 0.626 8.323
160 2HG GLN 23 HG1 GLN 23 1.510 0.645 7.306
161 1HE2 GLN 23 HE21 GLN 23 3.926 -1.963 7.309
162 2HE2 GLN 23 HE22 GLN 23 2.875 -3.130 7.924
163 H THR 24 HN THR 24 4.985 -0.737 4.149
164 HA THR 24 HA THR 24 5.691 -3.425 5.111
165 HB THR 24 HB THR 24 5.004 -4.178 2.874
166 HG1 THR 24 HG1 THR 24 4.402 -2.752 1.323
167 1HG2 THR 24 HG21 THR 24 2.989 -2.359 4.169
168 2HG2 THR 24 HG22 THR 24 3.318 -4.033 4.620
169 3HG2 THR 24 HG23 THR 24 2.633 -3.665 3.038
170 H GLY 25 HN GLY 25 7.002 -0.819 3.158
171 1HA GLY 25 HA2 GLY 25 9.412 -0.771 2.795
172 2HA GLY 25 HA1 GLY 25 9.369 -2.509 2.547
173 H CYS 26 HN CYS 26 6.642 -1.876 1.142
174 HA CYS 26 HA CYS 26 7.839 -1.129 -1.433
175 1HB CYS 26 HB2 CYS 26 5.639 -3.082 -0.831
176 2HB CYS 26 HB1 CYS 26 6.050 -2.548 -2.448
177 HA PRO 27 HA PRO 27 4.939 2.237 -0.959
178 1HB PRO 27 HB2 PRO 27 5.774 3.737 -2.996
179 2HB PRO 27 HB1 PRO 27 6.854 3.390 -1.662
180 1HG PRO 27 HG2 PRO 27 6.698 2.017 -4.312
181 2HG PRO 27 HG1 PRO 27 8.123 2.667 -3.478
182 1HD PRO 27 HD2 PRO 27 7.412 0.038 -3.382
183 2HD PRO 27 HD1 PRO 27 8.281 0.864 -2.071
184 H ASN 28 HN ASN 28 4.115 -0.239 -2.599
185 HA ASN 28 HA ASN 28 2.500 1.088 -4.665
186 1HB ASN 28 HB2 ASN 28 3.993 -0.703 -5.409
187 2HB ASN 28 HB1 ASN 28 3.211 -1.825 -4.302
188 1HD2 ASN 28 HD21 ASN 28 2.607 -3.195 -5.972
189 2HD2 ASN 28 HD22 ASN 28 1.344 -2.782 -7.075
190 H ALA 29 HN ALA 29 0.576 1.670 -3.876
191 HA ALA 29 HA ALA 29 -1.117 -0.339 -2.587
192 1HB ALA 29 HB1 ALA 29 -1.337 2.233 -1.219
193 2HB ALA 29 HB2 ALA 29 0.246 1.493 -1.033
194 3HB ALA 29 HB3 ALA 29 -1.197 0.599 -0.575
195 H LYS 30 HN LYS 30 -3.359 0.382 -2.369
196 HA LYS 30 HA LYS 30 -4.180 2.672 -3.993
197 1HB LYS 30 HB2 LYS 30 -4.175 0.798 -5.595
198 2HB LYS 30 HB1 LYS 30 -5.198 -0.141 -4.514
199 1HG LYS 30 HG2 LYS 30 -6.964 1.589 -4.761
200 2HG LYS 30 HG1 LYS 30 -5.933 2.428 -5.919
201 1HD LYS 30 HD2 LYS 30 -6.871 -0.429 -6.235
202 2HD LYS 30 HD1 LYS 30 -7.706 0.965 -6.916
203 1HE LYS 30 HE2 LYS 30 -5.658 1.544 -8.172
204 2HE LYS 30 HE1 LYS 30 -4.897 0.093 -7.550
205 1HZ LYS 30 HZ1 LYS 30 -6.602 -1.233 -8.645
206 2HZ LYS 30 HZ2 LYS 30 -5.780 -0.262 -9.758
207 3HZ LYS 30 HZ3 LYS 30 -7.330 0.175 -9.243
208 H CYS 31 HN CYS 31 -6.137 3.551 -3.265
209 HA CYS 31 HA CYS 31 -6.929 2.613 -0.650
210 1HB CYS 31 HB2 CYS 31 -8.183 4.617 -0.423
211 2HB CYS 31 HB1 CYS 31 -6.622 5.005 -1.107
212 H ILE 32 HN ILE 32 -8.235 0.976 -0.507
213 HA ILE 32 HA ILE 32 -10.843 1.048 -1.841
214 HB ILE 32 HB ILE 32 -10.651 -1.453 -2.257
215 1HG1 ILE 32 HG12 ILE 32 -7.689 -0.886 -1.931
216 2HG1 ILE 32 HG11 ILE 32 -8.670 -1.847 -0.830
217 1HG2 ILE 32 HG21 ILE 32 -10.549 0.209 -4.066
218 2HG2 ILE 32 HG22 ILE 32 -9.594 -1.228 -4.410
219 3HG2 ILE 32 HG23 ILE 32 -8.794 0.260 -3.899
220 1HD1 ILE 32 HD11 ILE 32 -7.441 -2.561 -3.361
221 2HD1 ILE 32 HD12 ILE 32 -9.121 -3.086 -3.227
222 3HD1 ILE 32 HD13 ILE 32 -7.944 -3.570 -2.010
223 H ASN 33 HN ASN 33 -12.416 -0.276 -0.671
224 HA ASN 33 HA ASN 33 -13.386 -1.045 1.238
225 1HB ASN 33 HB2 ASN 33 -11.848 -2.890 1.090
226 2HB ASN 33 HB1 ASN 33 -10.535 -1.959 1.763
227 1HD2 ASN 33 HD21 ASN 33 -10.292 -1.823 3.944
228 2HD2 ASN 33 HD22 ASN 33 -11.305 -2.676 5.052
229 H LYS 34 HN LYS 34 -12.124 1.669 0.945
230 HA LYS 34 HA LYS 34 -11.933 3.576 2.056
231 1HB LYS 34 HB2 LYS 34 -14.005 2.692 3.227
232 2HB LYS 34 HB1 LYS 34 -12.955 2.167 4.536
233 1HG LYS 34 HG2 LYS 34 -12.250 4.467 4.907
234 2HG LYS 34 HG1 LYS 34 -13.257 4.997 3.565
235 1HD LYS 34 HD2 LYS 34 -15.248 4.235 4.749
236 2HD LYS 34 HD1 LYS 34 -14.244 3.672 6.090
237 1HE LYS 34 HE2 LYS 34 -14.365 6.536 5.140
238 2HE LYS 34 HE1 LYS 34 -15.322 5.884 6.467
239 1HZ LYS 34 HZ1 LYS 34 -12.360 6.050 6.350
240 2HZ LYS 34 HZ2 LYS 34 -13.225 5.296 7.594
241 3HZ LYS 34 HZ3 LYS 34 -13.388 6.959 7.335
242 H SER 35 HN SER 35 -9.765 1.622 1.961
243 HA SER 35 HA SER 35 -8.032 2.980 3.834
244 1HB SER 35 HB2 SER 35 -7.030 0.764 4.609
245 2HB SER 35 HB1 SER 35 -8.617 1.162 5.261
246 HG SER 35 HG SER 35 -8.267 -1.051 4.399
247 H CYS 36 HN CYS 36 -5.818 2.882 3.206
248 HA CYS 36 HA CYS 36 -5.464 2.267 0.381
249 1HB CYS 36 HB2 CYS 36 -3.633 3.487 2.435
250 2HB CYS 36 HB1 CYS 36 -3.141 3.154 0.775
251 H LYS 37 HN LYS 37 -5.561 0.094 0.160
252 HA LYS 37 HA LYS 37 -4.069 -1.640 1.917
253 1HB LYS 37 HB2 LYS 37 -6.299 -2.201 0.890
254 2HB LYS 37 HB1 LYS 37 -5.479 -2.366 -0.655
255 1HG LYS 37 HG2 LYS 37 -3.977 -4.090 0.556
256 2HG LYS 37 HG1 LYS 37 -5.185 -4.026 1.837
257 1HD LYS 37 HD2 LYS 37 -5.708 -5.876 0.430
258 2HD LYS 37 HD1 LYS 37 -6.922 -4.629 0.139
259 1HE LYS 37 HE2 LYS 37 -5.824 -3.971 -1.899
260 2HE LYS 37 HE1 LYS 37 -4.467 -5.044 -1.571
261 1HZ LYS 37 HZ1 LYS 37 -5.973 -5.991 -3.183
262 2HZ LYS 37 HZ2 LYS 37 -7.262 -5.899 -2.093
263 3HZ LYS 37 HZ3 LYS 37 -5.956 -6.931 -1.777
264 H CYS 38 HN CYS 38 -2.155 -2.565 1.543
265 HA CYS 38 HA CYS 38 -0.634 -1.744 -0.824
266 1HB CYS 38 HB2 CYS 38 0.178 -3.224 1.689
267 2HB CYS 38 HB1 CYS 38 1.279 -2.737 0.405
268 H TYR 39 HN TYR 39 0.323 -3.244 -2.236
269 HA TYR 39 HA TYR 39 -1.264 -5.637 -2.619
270 1HB TYR 39 HB2 TYR 39 1.069 -4.538 -4.202
271 2HB TYR 39 HB1 TYR 39 0.060 -5.895 -4.692
272 HD1 TYR 39 HD1 TYR 39 -2.153 -5.537 -5.592
273 HD2 TYR 39 HD2 TYR 39 0.160 -2.269 -4.211
274 HE1 TYR 39 HE1 TYR 39 -3.678 -3.977 -6.719
275 HE2 TYR 39 HE2 TYR 39 -1.349 -0.693 -5.315
276 HH TYR 39 HH TYR 39 -3.188 -1.264 -7.633
277 H GLY 40 HN GLY 40 0.788 -5.384 -0.338
278 1HA GLY 40 HA2 GLY 40 1.837 -7.051 0.812
279 2HA GLY 40 HA1 GLY 40 1.845 -8.055 -0.629
280 H CYS 41 HN CYS 41 4.000 -7.570 1.207
281 HA CYS 41 HA CYS 41 6.048 -7.032 -0.734
282 1HB CYS 41 HB2 CYS 41 5.405 -4.734 0.058
283 2HB CYS 41 HB1 CYS 41 5.893 -5.198 1.664
Start of MODEL 2
1 1H TRP 1 HT1 TRP 1 8.545 0.917 10.408
2 2H TRP 1 HT2 TRP 1 8.503 1.089 8.698
3 3H TRP 1 HT3 TRP 1 8.356 -0.458 9.404
4 HA TRP 1 HA TRP 1 6.280 0.252 8.688
5 1HB TRP 1 HB2 TRP 1 6.783 0.098 11.613
6 2HB TRP 1 HB1 TRP 1 5.152 0.491 11.076
7 HD1 TRP 1 HD1 TRP 1 7.789 -2.268 10.304
8 HE1 TRP 1 HE1 TRP 1 6.537 -4.488 10.014
9 HE3 TRP 1 HE3 TRP 1 3.005 -0.584 10.929
10 HZ2 TRP 1 HZ2 TRP 1 3.870 -5.414 10.054
11 HZ3 TRP 1 HZ3 TRP 1 1.160 -2.204 10.795
12 HH2 TRP 1 HH2 TRP 1 1.585 -4.571 10.366
13 H CYS 2 HN CYS 2 4.488 1.748 8.855
14 HA CYS 2 HA CYS 2 5.478 4.496 8.870
15 1HB CYS 2 HB2 CYS 2 3.289 5.031 7.844
16 2HB CYS 2 HB1 CYS 2 4.235 3.854 6.962
17 H SER 3 HN SER 3 5.575 5.281 10.897
18 HA SER 3 HA SER 3 3.627 4.792 12.931
19 1HB SER 3 HB2 SER 3 4.814 6.886 13.942
20 2HB SER 3 HB1 SER 3 5.734 5.399 13.725
21 HG SER 3 HG SER 3 6.765 7.365 12.940
22 H THR 4 HN THR 4 3.891 7.015 10.276
23 HA THR 4 HA THR 4 1.968 8.898 11.307
24 HB THR 4 HB THR 4 2.907 8.751 8.424
25 HG1 THR 4 HG1 THR 4 4.825 9.617 9.008
26 1HG2 THR 4 HG21 THR 4 2.877 11.252 8.762
27 2HG2 THR 4 HG22 THR 4 2.076 10.968 10.305
28 3HG2 THR 4 HG23 THR 4 1.302 10.469 8.800
29 H CYS 5 HN CYS 5 1.464 5.841 10.343
30 HA CYS 5 HA CYS 5 -0.710 6.274 8.498
31 1HB CYS 5 HB2 CYS 5 0.476 3.854 9.824
32 2HB CYS 5 HB1 CYS 5 -1.080 3.748 9.019
33 H LEU 6 HN LEU 6 -1.751 7.821 9.976
34 HA LEU 6 HA LEU 6 -3.268 6.622 12.167
35 1HB LEU 6 HB2 LEU 6 -3.111 9.422 11.046
36 2HB LEU 6 HB1 LEU 6 -4.312 8.963 12.233
37 HG LEU 6 HG LEU 6 -2.579 10.058 13.406
38 1HD1 LEU 6 HD11 LEU 6 -1.903 8.423 14.996
39 2HD1 LEU 6 HD12 LEU 6 -2.104 7.112 13.838
40 3HD1 LEU 6 HD13 LEU 6 -3.515 7.991 14.433
41 1HD2 LEU 6 HD21 LEU 6 -0.256 9.496 13.302
42 2HD2 LEU 6 HD22 LEU 6 -0.825 9.791 11.661
43 3HD2 LEU 6 HD23 LEU 6 -0.572 8.139 12.224
44 H ASP 7 HN ASP 7 -4.132 8.574 9.310
45 HA ASP 7 HA ASP 7 -6.160 6.616 8.574
46 1HB ASP 7 HB2 ASP 7 -7.471 7.949 10.072
47 2HB ASP 7 HB1 ASP 7 -6.857 9.447 9.374
48 H LEU 8 HN LEU 8 -6.040 6.366 6.445
49 HA LEU 8 HA LEU 8 -5.343 8.697 4.758
50 1HB LEU 8 HB2 LEU 8 -4.345 5.852 4.453
51 2HB LEU 8 HB1 LEU 8 -4.148 7.104 3.249
52 HG LEU 8 HG LEU 8 -2.076 6.941 4.295
53 1HD1 LEU 8 HD11 LEU 8 -1.722 9.089 5.303
54 2HD1 LEU 8 HD12 LEU 8 -3.436 9.269 5.624
55 3HD1 LEU 8 HD13 LEU 8 -2.854 9.236 3.967
56 1HD2 LEU 8 HD21 LEU 8 -3.127 7.352 7.064
57 2HD2 LEU 8 HD22 LEU 8 -1.616 6.650 6.517
58 3HD2 LEU 8 HD23 LEU 8 -3.111 5.737 6.358
59 H ALA 9 HN ALA 9 -7.885 7.425 5.556
60 HA ALA 9 HA ALA 9 -8.924 5.652 3.804
61 1HB ALA 9 HB1 ALA 9 -11.133 6.408 4.495
62 2HB ALA 9 HB2 ALA 9 -10.423 7.894 5.127
63 3HB ALA 9 HB3 ALA 9 -10.017 6.342 5.857
64 H CYS 10 HN CYS 10 -8.078 6.170 1.733
65 HA CYS 10 HA CYS 10 -8.015 7.053 -0.302
66 1HB CYS 10 HB2 CYS 10 -10.917 7.249 0.345
67 2HB CYS 10 HB1 CYS 10 -10.354 7.873 -1.185
68 H THR 11 HN THR 11 -6.966 8.694 1.491
69 HA THR 11 HA THR 11 -7.919 11.398 0.953
70 HB THR 11 HB THR 11 -6.788 10.871 3.127
71 HG1 THR 11 HG1 THR 11 -5.317 12.749 1.533
72 1HG2 THR 11 HG21 THR 11 -5.127 9.249 2.176
73 2HG2 THR 11 HG22 THR 11 -4.443 10.468 3.241
74 3HG2 THR 11 HG23 THR 11 -4.260 10.629 1.502
75 H GLY 12 HN GLY 12 -6.130 8.982 -0.564
76 1HA GLY 12 HA2 GLY 12 -5.825 9.825 -2.978
77 2HA GLY 12 HA1 GLY 12 -4.575 10.816 -2.234
78 H SER 13 HN SER 13 -4.681 8.355 -4.128
79 HA SER 13 HA SER 13 -3.287 6.271 -2.791
80 1HB SER 13 HB2 SER 13 -2.571 5.751 -5.260
81 2HB SER 13 HB1 SER 13 -4.266 5.616 -4.793
82 HG SER 13 HG SER 13 -3.004 7.654 -6.274
83 H LYS 14 HN LYS 14 -2.267 9.163 -4.553
84 HA LYS 14 HA LYS 14 0.496 8.755 -4.584
85 1HB LYS 14 HB2 LYS 14 -1.087 11.289 -4.404
86 2HB LYS 14 HB1 LYS 14 0.647 11.248 -4.689
87 1HG LYS 14 HG2 LYS 14 -1.388 9.943 -6.489
88 2HG LYS 14 HG1 LYS 14 -0.763 11.579 -6.712
89 1HD LYS 14 HD2 LYS 14 1.534 10.629 -6.836
90 2HD LYS 14 HD1 LYS 14 0.827 9.041 -6.747
91 1HE LYS 14 HE2 LYS 14 0.210 11.054 -8.882
92 2HE LYS 14 HE1 LYS 14 1.366 9.737 -9.050
93 1HZ LYS 14 HZ1 LYS 14 -0.709 9.122 -10.040
94 2HZ LYS 14 HZ2 LYS 14 -1.559 9.461 -8.621
95 3HZ LYS 14 HZ3 LYS 14 -0.469 8.166 -8.666
96 H ASP 15 HN ASP 15 -1.645 10.051 -2.145
97 HA ASP 15 HA ASP 15 0.398 10.818 -0.312
98 1HB ASP 15 HB2 ASP 15 -2.178 11.440 -0.440
99 2HB ASP 15 HB1 ASP 15 -2.363 10.033 0.598
100 H CYS 16 HN CYS 16 -1.659 7.963 -0.709
101 HA CYS 16 HA CYS 16 -0.851 6.531 1.556
102 1HB CYS 16 HB2 CYS 16 -2.180 5.887 -1.016
103 2HB CYS 16 HB1 CYS 16 -1.445 4.530 -0.192
104 H TYR 17 HN TYR 17 0.707 6.788 -1.604
105 HA TYR 17 HA TYR 17 2.261 4.527 -1.605
106 1HB TYR 17 HB2 TYR 17 3.005 7.290 -2.572
107 2HB TYR 17 HB1 TYR 17 3.933 5.843 -2.955
108 HD1 TYR 17 HD1 TYR 17 2.446 7.859 -4.828
109 HD2 TYR 17 HD2 TYR 17 1.472 3.994 -3.326
110 HE1 TYR 17 HE1 TYR 17 1.024 7.425 -6.786
111 HE2 TYR 17 HE2 TYR 17 0.062 3.580 -5.273
112 HH TYR 17 HH TYR 17 -1.243 5.576 -7.059
113 H ALA 18 HN ALA 18 3.149 7.602 -0.053
114 HA ALA 18 HA ALA 18 5.710 6.753 0.737
115 1HB ALA 18 HB1 ALA 18 5.150 8.657 2.598
116 2HB ALA 18 HB2 ALA 18 3.983 9.048 1.335
117 3HB ALA 18 HB3 ALA 18 5.696 8.963 0.953
118 HA PRO 19 HA PRO 19 3.818 5.747 5.188
119 1HB PRO 19 HB2 PRO 19 1.019 5.149 4.296
120 2HB PRO 19 HB1 PRO 19 1.626 5.850 5.795
121 1HG PRO 19 HG2 PRO 19 0.486 7.384 3.980
122 2HG PRO 19 HG1 PRO 19 1.887 7.944 4.914
123 1HD PRO 19 HD2 PRO 19 1.761 6.982 2.111
124 2HD PRO 19 HD1 PRO 19 2.719 8.271 2.810
125 H CYS 20 HN CYS 20 2.259 4.190 2.370
126 HA CYS 20 HA CYS 20 2.315 1.575 3.405
127 1HB CYS 20 HB2 CYS 20 0.948 2.156 1.475
128 2HB CYS 20 HB1 CYS 20 2.390 2.491 0.524
129 H ARG 21 HN ARG 21 4.633 3.299 1.330
130 HA ARG 21 HA ARG 21 6.474 1.181 1.059
131 1HB ARG 21 HB2 ARG 21 6.462 3.250 -0.306
132 2HB ARG 21 HB1 ARG 21 7.040 4.148 1.067
133 1HG ARG 21 HG2 ARG 21 9.072 2.736 1.093
134 2HG ARG 21 HG1 ARG 21 8.489 1.924 -0.360
135 1HD ARG 21 HD2 ARG 21 8.507 4.070 -1.549
136 2HD ARG 21 HD1 ARG 21 9.085 4.851 -0.078
137 HE ARG 21 HE ARG 21 10.667 2.681 -1.291
138 1HH1 ARG 21 HH11 ARG 21 10.341 6.103 -0.527
139 2HH1 ARG 21 HH12 ARG 21 11.995 6.432 -0.849
140 1HH2 ARG 21 HH21 ARG 21 12.843 3.159 -1.712
141 2HH2 ARG 21 HH22 ARG 21 13.419 4.782 -1.525
142 H LYS 22 HN LYS 22 6.191 3.789 3.405
143 HA LYS 22 HA LYS 22 8.537 3.182 4.868
144 1HB LYS 22 HB2 LYS 22 7.291 5.311 4.926
145 2HB LYS 22 HB1 LYS 22 5.993 4.531 5.809
146 1HG LYS 22 HG2 LYS 22 7.479 4.093 7.675
147 2HG LYS 22 HG1 LYS 22 8.833 4.801 6.795
148 1HD LYS 22 HD2 LYS 22 6.303 6.256 7.597
149 2HD LYS 22 HD1 LYS 22 7.852 6.363 8.432
150 1HE LYS 22 HE2 LYS 22 7.381 7.177 5.555
151 2HE LYS 22 HE1 LYS 22 7.447 8.261 6.929
152 1HZ LYS 22 HZ1 LYS 22 9.550 8.257 5.862
153 2HZ LYS 22 HZ2 LYS 22 9.662 6.575 5.921
154 3HZ LYS 22 HZ3 LYS 22 9.731 7.477 7.352
155 H GLN 23 HN GLN 23 5.317 1.836 4.872
156 HA GLN 23 HA GLN 23 5.580 0.518 7.386
157 1HB GLN 23 HB2 GLN 23 3.416 1.218 6.539
158 2HB GLN 23 HB1 GLN 23 3.576 0.118 5.217
159 1HG GLN 23 HG2 GLN 23 3.628 -1.763 6.817
160 2HG GLN 23 HG1 GLN 23 3.398 -0.612 8.131
161 1HE2 GLN 23 HE21 GLN 23 1.800 -0.292 4.999
162 2HE2 GLN 23 HE22 GLN 23 0.237 -0.637 5.603
163 H THR 24 HN THR 24 5.071 -0.792 4.124
164 HA THR 24 HA THR 24 5.998 -3.379 5.008
165 HB THR 24 HB THR 24 5.376 -4.105 2.708
166 HG1 THR 24 HG1 THR 24 4.768 -2.631 1.206
167 1HG2 THR 24 HG21 THR 24 3.297 -2.360 4.032
168 2HG2 THR 24 HG22 THR 24 3.652 -4.039 4.442
169 3HG2 THR 24 HG23 THR 24 2.988 -3.639 2.858
170 H GLY 25 HN GLY 25 7.213 -0.759 3.012
171 1HA GLY 25 HA2 GLY 25 9.679 -0.676 2.772
172 2HA GLY 25 HA1 GLY 25 9.617 -2.389 2.383
173 H CYS 26 HN CYS 26 6.948 -1.762 0.984
174 HA CYS 26 HA CYS 26 8.121 -0.682 -1.480
175 1HB CYS 26 HB2 CYS 26 6.232 -3.006 -1.135
176 2HB CYS 26 HB1 CYS 26 6.617 -2.256 -2.674
177 HA PRO 27 HA PRO 27 4.763 2.144 -1.175
178 1HB PRO 27 HB2 PRO 27 5.211 3.573 -3.373
179 2HB PRO 27 HB1 PRO 27 6.424 3.471 -2.108
180 1HG PRO 27 HG2 PRO 27 6.315 2.036 -4.714
181 2HG PRO 27 HG1 PRO 27 7.705 2.757 -3.885
182 1HD PRO 27 HD2 PRO 27 7.003 0.055 -3.835
183 2HD PRO 27 HD1 PRO 27 8.099 0.872 -2.704
184 H ASN 28 HN ASN 28 4.257 -0.509 -2.894
185 HA ASN 28 HA ASN 28 2.339 0.475 -4.817
186 1HB ASN 28 HB2 ASN 28 1.848 -1.999 -5.152
187 2HB ASN 28 HB1 ASN 28 3.458 -1.441 -5.549
188 1HD2 ASN 28 HD21 ASN 28 5.208 -2.192 -4.400
189 2HD2 ASN 28 HD22 ASN 28 5.059 -3.495 -3.275
190 H ALA 29 HN ALA 29 0.773 1.559 -3.666
191 HA ALA 29 HA ALA 29 -1.074 -0.178 -2.167
192 1HB ALA 29 HB1 ALA 29 -0.697 0.855 -0.264
193 2HB ALA 29 HB2 ALA 29 -1.171 2.388 -0.969
194 3HB ALA 29 HB3 ALA 29 0.512 1.883 -1.013
195 H LYS 30 HN LYS 30 -3.198 0.437 -2.166
196 HA LYS 30 HA LYS 30 -4.037 2.829 -3.592
197 1HB LYS 30 HB2 LYS 30 -3.845 1.145 -5.370
198 2HB LYS 30 HB1 LYS 30 -4.926 0.072 -4.505
199 1HG LYS 30 HG2 LYS 30 -6.687 1.850 -4.670
200 2HG LYS 30 HG1 LYS 30 -5.590 2.764 -5.702
201 1HD LYS 30 HD2 LYS 30 -6.332 -0.084 -6.346
202 2HD LYS 30 HD1 LYS 30 -7.407 1.248 -6.754
203 1HE LYS 30 HE2 LYS 30 -6.032 0.697 -8.654
204 2HE LYS 30 HE1 LYS 30 -5.604 2.296 -8.056
205 1HZ LYS 30 HZ1 LYS 30 -3.785 0.575 -8.669
206 2HZ LYS 30 HZ2 LYS 30 -4.059 -0.030 -7.123
207 3HZ LYS 30 HZ3 LYS 30 -3.580 1.579 -7.332
208 H CYS 31 HN CYS 31 -6.125 3.473 -2.925
209 HA CYS 31 HA CYS 31 -6.998 2.087 -0.518
210 1HB CYS 31 HB2 CYS 31 -8.151 4.041 0.095
211 2HB CYS 31 HB1 CYS 31 -6.598 4.553 -0.534
212 H ILE 32 HN ILE 32 -8.325 0.444 -0.796
213 HA ILE 32 HA ILE 32 -10.407 0.605 -2.877
214 HB ILE 32 HB ILE 32 -9.258 -1.720 -1.334
215 1HG1 ILE 32 HG12 ILE 32 -8.954 -2.631 -3.665
216 2HG1 ILE 32 HG11 ILE 32 -9.501 -1.076 -4.285
217 1HG2 ILE 32 HG21 ILE 32 -11.847 -1.579 -2.851
218 2HG2 ILE 32 HG22 ILE 32 -11.525 -2.252 -1.250
219 3HG2 ILE 32 HG23 ILE 32 -10.957 -3.093 -2.684
220 1HD1 ILE 32 HD11 ILE 32 -7.586 0.014 -3.519
221 2HD1 ILE 32 HD12 ILE 32 -7.010 -1.512 -4.184
222 3HD1 ILE 32 HD13 ILE 32 -7.148 -1.311 -2.438
223 H ASN 33 HN ASN 33 -12.335 1.271 -2.259
224 HA ASN 33 HA ASN 33 -14.118 1.788 -1.016
225 1HB ASN 33 HB2 ASN 33 -14.192 -0.756 -0.953
226 2HB ASN 33 HB1 ASN 33 -13.440 -0.672 0.634
227 1HD2 ASN 33 HD21 ASN 33 -15.870 1.632 -0.548
228 2HD2 ASN 33 HD22 ASN 33 -17.076 1.139 0.563
229 H LYS 34 HN LYS 34 -11.995 3.252 -0.409
230 HA LYS 34 HA LYS 34 -11.234 4.742 1.090
231 1HB LYS 34 HB2 LYS 34 -13.233 3.522 2.983
232 2HB LYS 34 HB1 LYS 34 -12.243 4.911 3.360
233 1HG LYS 34 HG2 LYS 34 -14.331 4.739 1.206
234 2HG LYS 34 HG1 LYS 34 -14.419 5.641 2.721
235 1HD LYS 34 HD2 LYS 34 -12.443 6.982 1.951
236 2HD LYS 34 HD1 LYS 34 -12.554 6.123 0.418
237 1HE LYS 34 HE2 LYS 34 -13.616 8.221 0.150
238 2HE LYS 34 HE1 LYS 34 -14.849 6.962 0.126
239 1HZ LYS 34 HZ1 LYS 34 -15.456 8.909 1.467
240 2HZ LYS 34 HZ2 LYS 34 -14.162 8.602 2.510
241 3HZ LYS 34 HZ3 LYS 34 -15.429 7.487 2.377
242 H SER 35 HN SER 35 -10.945 1.405 1.605
243 HA SER 35 HA SER 35 -9.114 1.663 3.820
244 1HB SER 35 HB2 SER 35 -9.861 -0.771 2.180
245 2HB SER 35 HB1 SER 35 -8.972 -0.758 3.700
246 HG SER 35 HG SER 35 -11.294 -1.189 3.839
247 H CYS 36 HN CYS 36 -7.196 2.568 3.284
248 HA CYS 36 HA CYS 36 -5.856 2.248 0.799
249 1HB CYS 36 HB2 CYS 36 -5.438 4.105 2.383
250 2HB CYS 36 HB1 CYS 36 -4.666 2.966 3.474
251 H LYS 37 HN LYS 37 -5.289 0.274 0.087
252 HA LYS 37 HA LYS 37 -4.138 -1.631 2.031
253 1HB LYS 37 HB2 LYS 37 -6.440 -2.094 1.133
254 2HB LYS 37 HB1 LYS 37 -5.732 -2.271 -0.453
255 1HG LYS 37 HG2 LYS 37 -4.587 -3.895 1.778
256 2HG LYS 37 HG1 LYS 37 -6.203 -4.309 1.215
257 1HD LYS 37 HD2 LYS 37 -3.751 -4.128 -0.527
258 2HD LYS 37 HD1 LYS 37 -4.454 -5.618 0.088
259 1HE LYS 37 HE2 LYS 37 -6.593 -4.918 -1.091
260 2HE LYS 37 HE1 LYS 37 -5.630 -3.667 -1.878
261 1HZ LYS 37 HZ1 LYS 37 -4.206 -5.380 -2.797
262 2HZ LYS 37 HZ2 LYS 37 -5.817 -5.628 -3.247
263 3HZ LYS 37 HZ3 LYS 37 -5.124 -6.585 -2.038
264 H CYS 38 HN CYS 38 -2.195 -2.416 1.622
265 HA CYS 38 HA CYS 38 -0.790 -1.594 -0.795
266 1HB CYS 38 HB2 CYS 38 0.154 -3.080 1.657
267 2HB CYS 38 HB1 CYS 38 1.189 -2.525 0.346
268 H TYR 39 HN TYR 39 0.135 -3.014 -2.277
269 HA TYR 39 HA TYR 39 -1.236 -5.550 -2.584
270 1HB TYR 39 HB2 TYR 39 0.945 -4.265 -4.241
271 2HB TYR 39 HB1 TYR 39 0.107 -5.741 -4.662
272 HD1 TYR 39 HD1 TYR 39 -0.085 -2.114 -4.599
273 HD2 TYR 39 HD2 TYR 39 -2.284 -5.677 -5.294
274 HE1 TYR 39 HE1 TYR 39 -1.796 -0.805 -5.757
275 HE2 TYR 39 HE2 TYR 39 -4.016 -4.378 -6.459
276 HH TYR 39 HH TYR 39 -4.809 -1.821 -6.347
277 H GLY 40 HN GLY 40 1.620 -4.432 -1.088
278 1HA GLY 40 HA2 GLY 40 2.453 -6.180 0.454
279 2HA GLY 40 HA1 GLY 40 2.696 -7.183 -0.967
280 H CYS 41 HN CYS 41 4.850 -7.386 -0.969
281 HA CYS 41 HA CYS 41 6.412 -5.277 -1.975
282 1HB CYS 41 HB2 CYS 41 6.287 -4.564 0.443
283 2HB CYS 41 HB1 CYS 41 7.075 -6.071 0.882
Start of MODEL 3
1 1H TRP 1 HT1 TRP 1 5.468 -0.856 15.546
2 2H TRP 1 HT2 TRP 1 4.311 0.010 14.623
3 3H TRP 1 HT3 TRP 1 5.674 0.820 15.283
4 HA TRP 1 HA TRP 1 7.131 -0.523 13.947
5 1HB TRP 1 HB2 TRP 1 5.785 -2.487 13.616
6 2HB TRP 1 HB1 TRP 1 4.505 -1.551 12.850
7 HD1 TRP 1 HD1 TRP 1 4.526 -1.660 10.286
8 HE1 TRP 1 HE1 TRP 1 6.265 -2.213 8.472
9 HE3 TRP 1 HE3 TRP 1 8.638 -2.268 13.264
10 HZ2 TRP 1 HZ2 TRP 1 9.016 -2.816 8.324
11 HZ3 TRP 1 HZ3 TRP 1 10.786 -2.829 12.203
12 HH2 TRP 1 HH2 TRP 1 10.968 -3.097 9.787
13 H CYS 2 HN CYS 2 4.052 0.792 12.736
14 HA CYS 2 HA CYS 2 5.495 2.302 10.709
15 1HB CYS 2 HB2 CYS 2 3.234 2.953 9.933
16 2HB CYS 2 HB1 CYS 2 3.482 1.213 10.008
17 H SER 3 HN SER 3 6.104 4.325 10.930
18 HA SER 3 HA SER 3 5.550 5.826 13.318
19 1HB SER 3 HB2 SER 3 7.725 5.910 12.146
20 2HB SER 3 HB1 SER 3 6.944 6.660 10.756
21 HG SER 3 HG SER 3 7.985 8.120 12.296
22 H THR 4 HN THR 4 3.886 5.417 10.367
23 HA THR 4 HA THR 4 2.537 8.013 10.674
24 HB THR 4 HB THR 4 1.676 7.467 8.316
25 HG1 THR 4 HG1 THR 4 2.733 5.880 7.207
26 1HG2 THR 4 HG21 THR 4 4.637 7.904 8.710
27 2HG2 THR 4 HG22 THR 4 3.390 9.152 8.744
28 3HG2 THR 4 HG23 THR 4 3.714 8.270 7.253
29 H CYS 5 HN CYS 5 1.128 5.349 8.899
30 HA CYS 5 HA CYS 5 -0.941 4.481 9.008
31 1HB CYS 5 HB2 CYS 5 0.039 4.073 11.830
32 2HB CYS 5 HB1 CYS 5 -1.485 3.400 11.267
33 H LEU 6 HN LEU 6 -1.597 6.819 8.657
34 HA LEU 6 HA LEU 6 -3.287 7.765 10.900
35 1HB LEU 6 HB2 LEU 6 -2.178 9.274 8.532
36 2HB LEU 6 HB1 LEU 6 -3.195 9.963 9.778
37 HG LEU 6 HG LEU 6 -0.419 8.862 10.204
38 1HD1 LEU 6 HD11 LEU 6 -0.433 10.957 8.941
39 2HD1 LEU 6 HD12 LEU 6 0.212 11.191 10.564
40 3HD1 LEU 6 HD13 LEU 6 -1.433 11.707 10.187
41 1HD2 LEU 6 HD21 LEU 6 -1.770 8.546 12.184
42 2HD2 LEU 6 HD22 LEU 6 -2.343 10.212 12.101
43 3HD2 LEU 6 HD23 LEU 6 -0.648 9.875 12.451
44 H ASP 7 HN ASP 7 -5.026 9.351 9.649
45 HA ASP 7 HA ASP 7 -6.789 7.434 8.413
46 1HB ASP 7 HB2 ASP 7 -8.463 9.241 8.564
47 2HB ASP 7 HB1 ASP 7 -7.661 8.946 10.101
48 H LEU 8 HN LEU 8 -5.157 7.287 6.552
49 HA LEU 8 HA LEU 8 -5.433 9.430 4.572
50 1HB LEU 8 HB2 LEU 8 -3.899 6.819 4.450
51 2HB LEU 8 HB1 LEU 8 -3.914 8.041 3.206
52 HG LEU 8 HG LEU 8 -1.917 8.477 4.205
53 1HD1 LEU 8 HD11 LEU 8 -2.094 10.534 5.442
54 2HD1 LEU 8 HD12 LEU 8 -3.787 10.224 5.800
55 3HD1 LEU 8 HD13 LEU 8 -3.271 10.520 4.145
56 1HD2 LEU 8 HD21 LEU 8 -2.237 6.850 6.054
57 2HD2 LEU 8 HD22 LEU 8 -3.107 8.100 6.925
58 3HD2 LEU 8 HD23 LEU 8 -1.415 8.332 6.541
59 H ALA 9 HN ALA 9 -7.772 7.909 5.374
60 HA ALA 9 HA ALA 9 -8.475 5.822 3.757
61 1HB ALA 9 HB1 ALA 9 -10.302 7.969 4.835
62 2HB ALA 9 HB2 ALA 9 -9.749 6.544 5.713
63 3HB ALA 9 HB3 ALA 9 -10.787 6.358 4.300
64 H CYS 10 HN CYS 10 -7.666 6.222 1.682
65 HA CYS 10 HA CYS 10 -7.680 6.863 -0.474
66 1HB CYS 10 HB2 CYS 10 -10.593 7.069 0.242
67 2HB CYS 10 HB1 CYS 10 -10.059 7.597 -1.348
68 H THR 11 HN THR 11 -6.583 8.661 1.129
69 HA THR 11 HA THR 11 -7.602 11.299 0.443
70 HB THR 11 HB THR 11 -6.350 10.894 2.588
71 HG1 THR 11 HG1 THR 11 -5.036 12.743 0.835
72 1HG2 THR 11 HG21 THR 11 -4.582 9.445 1.082
73 2HG2 THR 11 HG22 THR 11 -4.277 10.089 2.674
74 3HG2 THR 11 HG23 THR 11 -3.738 10.978 1.270
75 H GLY 12 HN GLY 12 -5.754 8.841 -0.984
76 1HA GLY 12 HA2 GLY 12 -5.556 9.589 -3.465
77 2HA GLY 12 HA1 GLY 12 -4.306 10.627 -2.788
78 H SER 13 HN SER 13 -4.414 8.083 -4.572
79 HA SER 13 HA SER 13 -3.071 6.045 -3.159
80 1HB SER 13 HB2 SER 13 -3.021 6.686 -6.117
81 2HB SER 13 HB1 SER 13 -2.458 5.177 -5.392
82 HG SER 13 HG SER 13 -4.615 5.027 -6.162
83 H LYS 14 HN LYS 14 -1.839 8.774 -5.103
84 HA LYS 14 HA LYS 14 0.872 8.070 -4.863
85 1HB LYS 14 HB2 LYS 14 1.411 10.228 -5.703
86 2HB LYS 14 HB1 LYS 14 -0.003 9.624 -6.552
87 1HG LYS 14 HG2 LYS 14 -1.440 11.018 -5.116
88 2HG LYS 14 HG1 LYS 14 -0.004 11.637 -4.305
89 1HD LYS 14 HD2 LYS 14 -0.676 13.243 -5.934
90 2HD LYS 14 HD1 LYS 14 0.816 12.488 -6.496
91 1HE LYS 14 HE2 LYS 14 -0.521 11.008 -7.956
92 2HE LYS 14 HE1 LYS 14 -1.985 11.819 -7.404
93 1HZ LYS 14 HZ1 LYS 14 -1.141 13.877 -8.344
94 2HZ LYS 14 HZ2 LYS 14 -1.229 12.667 -9.521
95 3HZ LYS 14 HZ3 LYS 14 0.268 13.091 -8.861
96 H ASP 15 HN ASP 15 -1.315 9.497 -2.672
97 HA ASP 15 HA ASP 15 0.690 10.623 -0.925
98 1HB ASP 15 HB2 ASP 15 -1.753 11.394 -1.132
99 2HB ASP 15 HB1 ASP 15 -2.186 9.955 -0.221
100 H CYS 16 HN CYS 16 -1.557 7.865 -0.880
101 HA CYS 16 HA CYS 16 -0.613 6.727 1.511
102 1HB CYS 16 HB2 CYS 16 -2.100 5.468 -0.799
103 2HB CYS 16 HB1 CYS 16 -1.826 4.693 0.759
104 H TYR 17 HN TYR 17 0.804 6.689 -1.629
105 HA TYR 17 HA TYR 17 2.228 4.286 -1.618
106 1HB TYR 17 HB2 TYR 17 2.958 7.037 -2.634
107 2HB TYR 17 HB1 TYR 17 3.997 5.640 -2.889
108 HD1 TYR 17 HD1 TYR 17 3.030 7.244 -5.138
109 HD2 TYR 17 HD2 TYR 17 1.203 3.907 -3.212
110 HE1 TYR 17 HE1 TYR 17 1.821 6.701 -7.203
111 HE2 TYR 17 HE2 TYR 17 0.007 3.377 -5.264
112 HH TYR 17 HH TYR 17 -0.655 5.194 -7.558
113 H ALA 18 HN ALA 18 2.920 7.348 0.005
114 HA ALA 18 HA ALA 18 5.508 6.632 0.873
115 1HB ALA 18 HB1 ALA 18 4.791 8.516 2.691
116 2HB ALA 18 HB2 ALA 18 3.646 8.844 1.391
117 3HB ALA 18 HB3 ALA 18 5.372 8.842 1.062
118 HA PRO 19 HA PRO 19 3.470 5.491 5.202
119 1HB PRO 19 HB2 PRO 19 0.725 4.825 4.217
120 2HB PRO 19 HB1 PRO 19 1.235 5.529 5.753
121 1HG PRO 19 HG2 PRO 19 0.113 7.028 3.873
122 2HG PRO 19 HG1 PRO 19 1.450 7.653 4.857
123 1HD PRO 19 HD2 PRO 19 1.481 6.688 2.056
124 2HD PRO 19 HD1 PRO 19 2.350 8.008 2.792
125 H CYS 20 HN CYS 20 2.246 4.035 2.200
126 HA CYS 20 HA CYS 20 2.241 1.364 3.116
127 1HB CYS 20 HB2 CYS 20 1.080 2.138 1.070
128 2HB CYS 20 HB1 CYS 20 2.638 2.371 0.286
129 H ARG 21 HN ARG 21 4.722 3.348 1.525
130 HA ARG 21 HA ARG 21 6.677 1.312 1.272
131 1HB ARG 21 HB2 ARG 21 6.782 3.518 0.130
132 2HB ARG 21 HB1 ARG 21 7.111 4.286 1.672
133 1HG ARG 21 HG2 ARG 21 9.155 2.806 1.838
134 2HG ARG 21 HG1 ARG 21 8.834 2.327 0.172
135 1HD ARG 21 HD2 ARG 21 9.351 5.114 1.176
136 2HD ARG 21 HD1 ARG 21 10.489 4.109 0.306
137 HE ARG 21 HE ARG 21 8.009 5.298 -0.785
138 1HH1 ARG 21 HH11 ARG 21 11.157 3.823 -1.322
139 2HH1 ARG 21 HH12 ARG 21 11.188 4.243 -2.986
140 1HH2 ARG 21 HH21 ARG 21 8.084 5.850 -2.995
141 2HH2 ARG 21 HH22 ARG 21 9.453 5.386 -3.950
142 H LYS 22 HN LYS 22 5.869 3.603 3.837
143 HA LYS 22 HA LYS 22 7.998 2.994 5.568
144 1HB LYS 22 HB2 LYS 22 5.517 4.514 5.672
145 2HB LYS 22 HB1 LYS 22 5.748 3.645 7.174
146 1HG LYS 22 HG2 LYS 22 7.684 5.570 5.915
147 2HG LYS 22 HG1 LYS 22 6.650 5.863 7.318
148 1HD LYS 22 HD2 LYS 22 7.834 3.895 8.417
149 2HD LYS 22 HD1 LYS 22 8.984 3.969 7.082
150 1HE LYS 22 HE2 LYS 22 8.384 6.162 9.054
151 2HE LYS 22 HE1 LYS 22 9.832 5.160 9.008
152 1HZ LYS 22 HZ1 LYS 22 8.978 7.164 6.995
153 2HZ LYS 22 HZ2 LYS 22 10.271 6.096 6.762
154 3HZ LYS 22 HZ3 LYS 22 10.327 7.235 8.009
155 H GLN 23 HN GLN 23 4.822 1.535 5.142
156 HA GLN 23 HA GLN 23 5.030 -0.145 7.449
157 1HB GLN 23 HB2 GLN 23 3.157 -0.186 5.080
158 2HB GLN 23 HB1 GLN 23 2.977 -1.220 6.495
159 1HG GLN 23 HG2 GLN 23 2.579 0.615 7.914
160 2HG GLN 23 HG1 GLN 23 3.027 1.778 6.680
161 1HE2 GLN 23 HE21 GLN 23 0.561 1.533 8.173
162 2HE2 GLN 23 HE22 GLN 23 -0.701 1.369 7.040
163 H THR 24 HN THR 24 5.077 -0.903 3.941
164 HA THR 24 HA THR 24 5.993 -3.605 4.629
165 HB THR 24 HB THR 24 5.424 -4.182 2.315
166 HG1 THR 24 HG1 THR 24 4.842 -2.649 0.861
167 1HG2 THR 24 HG21 THR 24 3.261 -2.530 3.628
168 2HG2 THR 24 HG22 THR 24 3.635 -4.216 3.993
169 3HG2 THR 24 HG23 THR 24 3.024 -3.773 2.400
170 H GLY 25 HN GLY 25 7.168 -0.715 3.010
171 1HA GLY 25 HA2 GLY 25 9.563 -0.443 2.733
172 2HA GLY 25 HA1 GLY 25 9.682 -2.154 2.359
173 H CYS 26 HN CYS 26 6.991 -1.743 0.858
174 HA CYS 26 HA CYS 26 8.181 -0.613 -1.575
175 1HB CYS 26 HB2 CYS 26 6.310 -2.941 -1.245
176 2HB CYS 26 HB1 CYS 26 6.604 -2.170 -2.785
177 HA PRO 27 HA PRO 27 4.848 2.274 -1.097
178 1HB PRO 27 HB2 PRO 27 5.391 3.853 -3.185
179 2HB PRO 27 HB1 PRO 27 6.518 3.707 -1.842
180 1HG PRO 27 HG2 PRO 27 6.582 2.311 -4.487
181 2HG PRO 27 HG1 PRO 27 7.889 3.164 -3.649
182 1HD PRO 27 HD2 PRO 27 7.578 0.460 -3.560
183 2HD PRO 27 HD1 PRO 27 8.313 1.404 -2.247
184 H ASN 28 HN ASN 28 4.426 -0.315 -2.834
185 HA ASN 28 HA ASN 28 2.639 0.725 -4.877
186 1HB ASN 28 HB2 ASN 28 3.405 -2.109 -4.161
187 2HB ASN 28 HB1 ASN 28 2.361 -1.650 -5.504
188 1HD2 ASN 28 HD21 ASN 28 4.901 -3.070 -5.570
189 2HD2 ASN 28 HD22 ASN 28 5.944 -2.111 -6.558
190 H ALA 29 HN ALA 29 0.947 1.621 -3.780
191 HA ALA 29 HA ALA 29 -0.746 -0.249 -2.239
192 1HB ALA 29 HB1 ALA 29 -0.532 1.091 -0.501
193 2HB ALA 29 HB2 ALA 29 -1.362 2.356 -1.398
194 3HB ALA 29 HB3 ALA 29 0.398 2.264 -1.426
195 H LYS 30 HN LYS 30 -2.946 -0.053 -2.468
196 HA LYS 30 HA LYS 30 -3.959 1.790 -4.518
197 1HB LYS 30 HB2 LYS 30 -3.555 -0.483 -5.518
198 2HB LYS 30 HB1 LYS 30 -4.694 -1.151 -4.362
199 1HG LYS 30 HG2 LYS 30 -5.812 -0.849 -6.436
200 2HG LYS 30 HG1 LYS 30 -6.444 0.341 -5.302
201 1HD LYS 30 HD2 LYS 30 -5.013 2.059 -6.291
202 2HD LYS 30 HD1 LYS 30 -4.337 0.868 -7.405
203 1HE LYS 30 HE2 LYS 30 -7.231 1.709 -7.258
204 2HE LYS 30 HE1 LYS 30 -6.059 2.253 -8.456
205 1HZ LYS 30 HZ1 LYS 30 -7.130 -0.483 -8.096
206 2HZ LYS 30 HZ2 LYS 30 -5.794 -0.145 -9.080
207 3HZ LYS 30 HZ3 LYS 30 -7.301 0.532 -9.433
208 H CYS 31 HN CYS 31 -5.769 2.809 -3.820
209 HA CYS 31 HA CYS 31 -6.689 2.101 -1.185
210 1HB CYS 31 HB2 CYS 31 -6.288 4.472 -2.003
211 2HB CYS 31 HB1 CYS 31 -7.813 4.326 -2.871
212 H ILE 32 HN ILE 32 -8.123 0.603 -0.913
213 HA ILE 32 HA ILE 32 -10.370 0.209 -2.748
214 HB ILE 32 HB ILE 32 -11.089 -1.548 -1.194
215 1HG1 ILE 32 HG12 ILE 32 -8.679 -0.724 0.435
216 2HG1 ILE 32 HG11 ILE 32 -10.358 -0.647 0.930
217 1HG2 ILE 32 HG21 ILE 32 -9.451 -2.022 -2.999
218 2HG2 ILE 32 HG22 ILE 32 -9.338 -3.130 -1.639
219 3HG2 ILE 32 HG23 ILE 32 -8.152 -1.835 -1.821
220 1HD1 ILE 32 HD11 ILE 32 -8.614 -3.053 0.558
221 2HD1 ILE 32 HD12 ILE 32 -10.370 -3.165 0.699
222 3HD1 ILE 32 HD13 ILE 32 -9.419 -2.488 2.020
223 H ASN 33 HN ASN 33 -12.534 0.014 -1.227
224 HA ASN 33 HA ASN 33 -13.236 2.628 -0.785
225 1HB ASN 33 HB2 ASN 33 -15.260 1.807 0.344
226 2HB ASN 33 HB1 ASN 33 -14.907 0.943 -1.144
227 1HD2 ASN 33 HD21 ASN 33 -16.522 0.180 1.191
228 2HD2 ASN 33 HD22 ASN 33 -15.856 -1.322 1.724
229 H LYS 34 HN LYS 34 -12.028 3.878 0.464
230 HA LYS 34 HA LYS 34 -11.374 4.994 2.298
231 1HB LYS 34 HB2 LYS 34 -13.116 3.060 3.816
232 2HB LYS 34 HB1 LYS 34 -12.446 4.545 4.458
233 1HG LYS 34 HG2 LYS 34 -13.733 5.847 2.864
234 2HG LYS 34 HG1 LYS 34 -14.421 4.368 2.194
235 1HD LYS 34 HD2 LYS 34 -14.738 5.349 5.035
236 2HD LYS 34 HD1 LYS 34 -15.958 5.442 3.766
237 1HE LYS 34 HE2 LYS 34 -14.805 2.906 4.944
238 2HE LYS 34 HE1 LYS 34 -16.397 3.575 5.249
239 1HZ LYS 34 HZ1 LYS 34 -15.391 2.483 2.689
240 2HZ LYS 34 HZ2 LYS 34 -16.848 3.334 2.828
241 3HZ LYS 34 HZ3 LYS 34 -16.636 1.877 3.656
242 H SER 35 HN SER 35 -9.842 2.602 1.371
243 HA SER 35 HA SER 35 -8.098 2.444 3.689
244 1HB SER 35 HB2 SER 35 -9.342 -0.059 2.559
245 2HB SER 35 HB1 SER 35 -8.046 -0.027 3.732
246 HG SER 35 HG SER 35 -9.429 0.799 5.225
247 H CYS 36 HN CYS 36 -6.187 2.967 2.811
248 HA CYS 36 HA CYS 36 -5.509 2.245 0.085
249 1HB CYS 36 HB2 CYS 36 -3.949 3.629 2.259
250 2HB CYS 36 HB1 CYS 36 -3.310 3.291 0.653
251 H LYS 37 HN LYS 37 -5.463 0.033 -0.020
252 HA LYS 37 HA LYS 37 -3.936 -1.479 1.942
253 1HB LYS 37 HB2 LYS 37 -6.107 -2.291 1.088
254 2HB LYS 37 HB1 LYS 37 -5.414 -2.393 -0.522
255 1HG LYS 37 HG2 LYS 37 -3.706 -4.021 0.505
256 2HG LYS 37 HG1 LYS 37 -4.748 -4.020 1.923
257 1HD LYS 37 HD2 LYS 37 -5.216 -5.919 0.479
258 2HD LYS 37 HD1 LYS 37 -6.604 -4.832 0.552
259 1HE LYS 37 HE2 LYS 37 -6.123 -3.946 -1.606
260 2HE LYS 37 HE1 LYS 37 -4.546 -4.735 -1.657
261 1HZ LYS 37 HZ1 LYS 37 -6.161 -5.883 -3.012
262 2HZ LYS 37 HZ2 LYS 37 -7.184 -6.100 -1.684
263 3HZ LYS 37 HZ3 LYS 37 -5.677 -6.871 -1.727
264 H CYS 38 HN CYS 38 -2.056 -2.580 1.558
265 HA CYS 38 HA CYS 38 -0.523 -1.731 -0.796
266 1HB CYS 38 HB2 CYS 38 0.278 -3.162 1.740
267 2HB CYS 38 HB1 CYS 38 1.393 -2.746 0.442
268 H TYR 39 HN TYR 39 0.424 -3.159 -2.235
269 HA TYR 39 HA TYR 39 -0.916 -5.719 -2.566
270 1HB TYR 39 HB2 TYR 39 1.300 -4.370 -4.121
271 2HB TYR 39 HB1 TYR 39 0.614 -5.931 -4.552
272 HD1 TYR 39 HD1 TYR 39 0.248 -2.362 -4.808
273 HD2 TYR 39 HD2 TYR 39 -1.837 -6.061 -5.160
274 HE1 TYR 39 HE1 TYR 39 -1.489 -1.251 -6.137
275 HE2 TYR 39 HE2 TYR 39 -3.576 -4.957 -6.492
276 HH TYR 39 HH TYR 39 -4.452 -2.431 -6.664
277 H GLY 40 HN GLY 40 1.854 -4.527 -0.967
278 1HA GLY 40 HA2 GLY 40 2.875 -6.021 0.608
279 2HA GLY 40 HA1 GLY 40 2.851 -7.287 -0.607
280 H CYS 41 HN CYS 41 5.159 -7.150 0.313
281 HA CYS 41 HA CYS 41 6.780 -5.845 -1.724
282 1HB CYS 41 HB2 CYS 41 6.518 -4.191 0.179
283 2HB CYS 41 HB1 CYS 41 7.324 -5.343 1.216
Start of MODEL 4
1 1H TRP 1 HT1 TRP 1 0.884 -3.220 8.114
2 2H TRP 1 HT2 TRP 1 1.247 -4.276 9.411
3 3H TRP 1 HT3 TRP 1 2.293 -2.961 9.047
4 HA TRP 1 HA TRP 1 -0.526 -2.634 9.782
5 1HB TRP 1 HB2 TRP 1 0.320 -2.040 12.076
6 2HB TRP 1 HB1 TRP 1 0.450 -3.740 11.657
7 HD1 TRP 1 HD1 TRP 1 3.057 -4.485 10.778
8 HE1 TRP 1 HE1 TRP 1 5.303 -3.776 11.816
9 HE3 TRP 1 HE3 TRP 1 1.506 -0.325 13.317
10 HZ2 TRP 1 HZ2 TRP 1 6.284 -1.740 13.504
11 HZ3 TRP 1 HZ3 TRP 1 3.160 0.940 14.625
12 HH2 TRP 1 HH2 TRP 1 5.497 0.248 14.717
13 H CYS 2 HN CYS 2 -0.694 -0.937 8.291
14 HA CYS 2 HA CYS 2 1.106 1.360 8.651
15 1HB CYS 2 HB2 CYS 2 0.492 0.735 6.350
16 2HB CYS 2 HB1 CYS 2 -1.207 1.005 6.730
17 H SER 3 HN SER 3 0.522 1.921 10.748
18 HA SER 3 HA SER 3 -2.116 2.270 11.656
19 1HB SER 3 HB2 SER 3 0.373 3.677 12.657
20 2HB SER 3 HB1 SER 3 -1.117 3.372 13.556
21 HG SER 3 HG SER 3 0.436 1.813 14.071
22 H THR 4 HN THR 4 -0.013 4.351 9.792
23 HA THR 4 HA THR 4 -1.540 6.742 10.298
24 HB THR 4 HB THR 4 -0.112 7.594 8.292
25 HG1 THR 4 HG1 THR 4 0.562 5.730 7.368
26 1HG2 THR 4 HG21 THR 4 1.267 6.586 10.780
27 2HG2 THR 4 HG22 THR 4 0.402 8.117 10.620
28 3HG2 THR 4 HG23 THR 4 1.869 7.830 9.684
29 H CYS 5 HN CYS 5 -1.957 4.042 8.276
30 HA CYS 5 HA CYS 5 -3.237 5.445 6.123
31 1HB CYS 5 HB2 CYS 5 -2.937 2.511 6.749
32 2HB CYS 5 HB1 CYS 5 -3.800 3.108 5.338
33 H LEU 6 HN LEU 6 -4.282 4.987 9.179
34 HA LEU 6 HA LEU 6 -6.927 4.014 8.630
35 1HB LEU 6 HB2 LEU 6 -5.787 3.638 10.795
36 2HB LEU 6 HB1 LEU 6 -5.828 5.365 11.098
37 HG LEU 6 HG LEU 6 -8.326 5.269 11.055
38 1HD1 LEU 6 HD11 LEU 6 -8.628 3.302 9.673
39 2HD1 LEU 6 HD12 LEU 6 -9.410 3.070 11.231
40 3HD1 LEU 6 HD13 LEU 6 -7.862 2.292 10.899
41 1HD2 LEU 6 HD21 LEU 6 -7.008 3.432 13.053
42 2HD2 LEU 6 HD22 LEU 6 -8.572 4.229 13.241
43 3HD2 LEU 6 HD23 LEU 6 -7.097 5.191 13.166
44 H ASP 7 HN ASP 7 -5.328 7.124 8.806
45 HA ASP 7 HA ASP 7 -7.946 8.460 8.468
46 1HB ASP 7 HB2 ASP 7 -5.310 9.440 9.553
47 2HB ASP 7 HB1 ASP 7 -6.556 10.559 9.014
48 H LEU 8 HN LEU 8 -6.303 7.017 6.419
49 HA LEU 8 HA LEU 8 -5.886 9.272 4.577
50 1HB LEU 8 HB2 LEU 8 -4.371 6.794 5.074
51 2HB LEU 8 HB1 LEU 8 -4.602 7.185 3.397
52 HG LEU 8 HG LEU 8 -3.531 9.358 3.716
53 1HD1 LEU 8 HD11 LEU 8 -3.625 8.559 6.563
54 2HD1 LEU 8 HD12 LEU 8 -3.802 10.133 5.812
55 3HD1 LEU 8 HD13 LEU 8 -2.199 9.438 6.014
56 1HD2 LEU 8 HD21 LEU 8 -1.963 6.975 4.690
57 2HD2 LEU 8 HD22 LEU 8 -1.247 8.508 4.185
58 3HD2 LEU 8 HD23 LEU 8 -2.140 7.538 3.033
59 H ALA 9 HN ALA 9 -8.415 8.136 5.158
60 HA ALA 9 HA ALA 9 -9.274 6.088 3.535
61 1HB ALA 9 HB1 ALA 9 -10.866 8.497 4.408
62 2HB ALA 9 HB2 ALA 9 -10.587 7.040 5.362
63 3HB ALA 9 HB3 ALA 9 -11.528 6.949 3.873
64 H CYS 10 HN CYS 10 -8.225 6.327 1.524
65 HA CYS 10 HA CYS 10 -8.027 6.860 -0.606
66 1HB CYS 10 HB2 CYS 10 -10.891 7.496 -0.120
67 2HB CYS 10 HB1 CYS 10 -10.200 8.164 -1.588
68 H THR 11 HN THR 11 -6.587 8.364 0.855
69 HA THR 11 HA THR 11 -6.960 11.171 0.131
70 HB THR 11 HB THR 11 -4.578 11.366 1.058
71 HG1 THR 11 HG1 THR 11 -3.797 9.311 0.917
72 1HG2 THR 11 HG21 THR 11 -6.462 11.932 2.445
73 2HG2 THR 11 HG22 THR 11 -5.276 11.045 3.401
74 3HG2 THR 11 HG23 THR 11 -6.737 10.234 2.837
75 H GLY 12 HN GLY 12 -6.230 8.445 -1.534
76 1HA GLY 12 HA2 GLY 12 -5.746 8.677 -3.854
77 2HA GLY 12 HA1 GLY 12 -4.531 9.882 -3.458
78 H SER 13 HN SER 13 -4.512 7.112 -4.780
79 HA SER 13 HA SER 13 -3.075 5.325 -3.168
80 1HB SER 13 HB2 SER 13 -2.207 4.438 -5.392
81 2HB SER 13 HB1 SER 13 -3.960 4.543 -5.237
82 HG SER 13 HG SER 13 -2.218 6.201 -6.703
83 H LYS 14 HN LYS 14 -1.982 7.964 -5.252
84 HA LYS 14 HA LYS 14 0.771 7.584 -4.929
85 1HB LYS 14 HB2 LYS 14 1.015 9.885 -5.720
86 2HB LYS 14 HB1 LYS 14 -0.066 8.937 -6.707
87 1HG LYS 14 HG2 LYS 14 -1.395 10.723 -6.582
88 2HG LYS 14 HG1 LYS 14 -1.893 10.021 -5.051
89 1HD LYS 14 HD2 LYS 14 -1.439 12.338 -4.705
90 2HD LYS 14 HD1 LYS 14 -0.167 11.418 -3.908
91 1HE LYS 14 HE2 LYS 14 1.368 11.876 -5.690
92 2HE LYS 14 HE1 LYS 14 0.094 12.588 -6.679
93 1HZ LYS 14 HZ1 LYS 14 -0.106 14.369 -5.059
94 2HZ LYS 14 HZ2 LYS 14 1.471 14.271 -5.660
95 3HZ LYS 14 HZ3 LYS 14 1.121 13.681 -4.115
96 H ASP 15 HN ASP 15 -1.568 8.925 -2.774
97 HA ASP 15 HA ASP 15 0.411 10.281 -1.153
98 1HB ASP 15 HB2 ASP 15 -1.834 11.229 -1.307
99 2HB ASP 15 HB1 ASP 15 -2.524 9.750 -0.655
100 H CYS 16 HN CYS 16 -1.632 7.385 -0.988
101 HA CYS 16 HA CYS 16 -0.652 6.526 1.550
102 1HB CYS 16 HB2 CYS 16 -2.127 5.085 -0.659
103 2HB CYS 16 HB1 CYS 16 -1.726 4.333 0.884
104 H TYR 17 HN TYR 17 0.683 6.431 -1.609
105 HA TYR 17 HA TYR 17 2.289 4.175 -1.574
106 1HB TYR 17 HB2 TYR 17 2.684 6.942 -2.693
107 2HB TYR 17 HB1 TYR 17 3.968 5.751 -2.827
108 HD1 TYR 17 HD1 TYR 17 3.024 6.921 -5.242
109 HD2 TYR 17 HD2 TYR 17 1.351 3.643 -3.103
110 HE1 TYR 17 HE1 TYR 17 2.044 6.048 -7.317
111 HE2 TYR 17 HE2 TYR 17 0.393 2.777 -5.163
112 HH TYR 17 HH TYR 17 1.243 3.285 -7.956
113 H ALA 18 HN ALA 18 2.894 7.339 -0.115
114 HA ALA 18 HA ALA 18 5.505 6.796 0.705
115 1HB ALA 18 HB1 ALA 18 4.682 8.642 2.554
116 2HB ALA 18 HB2 ALA 18 3.537 8.893 1.237
117 3HB ALA 18 HB3 ALA 18 5.265 8.987 0.930
118 HA PRO 19 HA PRO 19 3.823 5.619 5.161
119 1HB PRO 19 HB2 PRO 19 1.052 4.792 4.422
120 2HB PRO 19 HB1 PRO 19 1.656 5.583 5.877
121 1HG PRO 19 HG2 PRO 19 0.313 6.940 4.055
122 2HG PRO 19 HG1 PRO 19 1.698 7.674 4.872
123 1HD PRO 19 HD2 PRO 19 1.509 6.521 2.144
124 2HD PRO 19 HD1 PRO 19 2.348 7.951 2.692
125 H CYS 20 HN CYS 20 2.289 3.932 2.410
126 HA CYS 20 HA CYS 20 2.577 1.340 3.494
127 1HB CYS 20 HB2 CYS 20 1.057 1.911 1.618
128 2HB CYS 20 HB1 CYS 20 2.451 2.125 0.571
129 H ARG 21 HN ARG 21 4.606 3.185 1.237
130 HA ARG 21 HA ARG 21 6.598 1.226 0.849
131 1HB ARG 21 HB2 ARG 21 6.364 3.200 -0.541
132 2HB ARG 21 HB1 ARG 21 6.781 4.240 0.772
133 1HG ARG 21 HG2 ARG 21 9.023 3.273 0.830
134 2HG ARG 21 HG1 ARG 21 8.595 2.209 -0.513
135 1HD ARG 21 HD2 ARG 21 8.195 4.155 -1.928
136 2HD ARG 21 HD1 ARG 21 8.581 5.224 -0.576
137 HE ARG 21 HE ARG 21 10.735 3.449 -1.088
138 1HH1 ARG 21 HH11 ARG 21 9.150 6.299 -2.391
139 2HH1 ARG 21 HH12 ARG 21 10.587 6.890 -3.136
140 1HH2 ARG 21 HH21 ARG 21 12.626 4.256 -2.076
141 2HH2 ARG 21 HH22 ARG 21 12.558 5.741 -2.966
142 H LYS 22 HN LYS 22 6.272 3.853 3.192
143 HA LYS 22 HA LYS 22 8.787 3.564 4.413
144 1HB LYS 22 HB2 LYS 22 7.354 5.536 4.638
145 2HB LYS 22 HB1 LYS 22 6.189 4.596 5.563
146 1HG LYS 22 HG2 LYS 22 7.869 4.262 7.321
147 2HG LYS 22 HG1 LYS 22 9.022 5.220 6.385
148 1HD LYS 22 HD2 LYS 22 7.537 7.155 6.531
149 2HD LYS 22 HD1 LYS 22 6.363 6.196 7.437
150 1HE LYS 22 HE2 LYS 22 8.017 5.881 9.221
151 2HE LYS 22 HE1 LYS 22 9.171 6.863 8.315
152 1HZ LYS 22 HZ1 LYS 22 6.542 7.789 9.345
153 2HZ LYS 22 HZ2 LYS 22 7.650 8.732 8.476
154 3HZ LYS 22 HZ3 LYS 22 8.054 8.151 10.011
155 H GLN 23 HN GLN 23 5.690 1.962 5.014
156 HA GLN 23 HA GLN 23 6.692 0.706 7.415
157 1HB GLN 23 HB2 GLN 23 4.327 1.416 7.174
158 2HB GLN 23 HB1 GLN 23 4.109 0.199 5.924
159 1HG GLN 23 HG2 GLN 23 3.260 -0.578 8.052
160 2HG GLN 23 HG1 GLN 23 4.625 -1.561 7.535
161 1HE2 GLN 23 HE21 GLN 23 3.468 0.742 9.872
162 2HE2 GLN 23 HE22 GLN 23 4.814 0.607 10.946
163 H THR 24 HN THR 24 5.612 -0.497 4.213
164 HA THR 24 HA THR 24 6.575 -3.150 4.937
165 HB THR 24 HB THR 24 5.450 -3.922 2.934
166 HG1 THR 24 HG1 THR 24 4.743 -2.549 1.380
167 1HG2 THR 24 HG21 THR 24 3.758 -1.828 4.306
168 2HG2 THR 24 HG22 THR 24 4.050 -3.459 4.912
169 3HG2 THR 24 HG23 THR 24 3.174 -3.223 3.401
170 H GLY 25 HN GLY 25 7.544 -0.516 2.833
171 1HA GLY 25 HA2 GLY 25 9.782 -0.374 2.007
172 2HA GLY 25 HA1 GLY 25 9.862 -2.126 1.928
173 H CYS 26 HN CYS 26 6.876 -1.695 0.902
174 HA CYS 26 HA CYS 26 7.630 -1.147 -1.882
175 1HB CYS 26 HB2 CYS 26 5.746 -3.248 -0.858
176 2HB CYS 26 HB1 CYS 26 6.052 -2.902 -2.555
177 HA PRO 27 HA PRO 27 4.588 1.967 -0.977
178 1HB PRO 27 HB2 PRO 27 4.775 3.345 -3.301
179 2HB PRO 27 HB1 PRO 27 6.026 3.391 -2.088
180 1HG PRO 27 HG2 PRO 27 5.913 1.804 -4.597
181 2HG PRO 27 HG1 PRO 27 7.281 2.680 -3.886
182 1HD PRO 27 HD2 PRO 27 6.949 -0.021 -3.674
183 2HD PRO 27 HD1 PRO 27 7.802 0.959 -2.466
184 H ASN 28 HN ASN 28 4.327 -0.197 -3.693
185 HA ASN 28 HA ASN 28 2.144 0.836 -4.996
186 1HB ASN 28 HB2 ASN 28 3.053 -2.030 -4.722
187 2HB ASN 28 HB1 ASN 28 1.771 -1.528 -5.821
188 1HD2 ASN 28 HD21 ASN 28 4.450 -2.678 -6.352
189 2HD2 ASN 28 HD22 ASN 28 5.189 -1.554 -7.436
190 H ALA 29 HN ALA 29 0.349 1.451 -4.014
191 HA ALA 29 HA ALA 29 -1.381 -0.549 -2.818
192 1HB ALA 29 HB1 ALA 29 -1.738 0.547 -0.805
193 2HB ALA 29 HB2 ALA 29 -1.065 2.075 -1.382
194 3HB ALA 29 HB3 ALA 29 0.000 0.720 -1.030
195 H LYS 30 HN LYS 30 -3.600 0.190 -2.654
196 HA LYS 30 HA LYS 30 -4.309 2.637 -4.104
197 1HB LYS 30 HB2 LYS 30 -4.307 0.956 -5.857
198 2HB LYS 30 HB1 LYS 30 -5.299 -0.120 -4.889
199 1HG LYS 30 HG2 LYS 30 -7.128 1.540 -4.971
200 2HG LYS 30 HG1 LYS 30 -6.129 2.560 -6.003
201 1HD LYS 30 HD2 LYS 30 -6.760 -0.291 -6.752
202 2HD LYS 30 HD1 LYS 30 -7.908 1.008 -7.058
203 1HE LYS 30 HE2 LYS 30 -6.679 0.754 -9.044
204 2HE LYS 30 HE1 LYS 30 -6.051 2.212 -8.285
205 1HZ LYS 30 HZ1 LYS 30 -4.522 0.280 -9.232
206 2HZ LYS 30 HZ2 LYS 30 -4.666 -0.279 -7.644
207 3HZ LYS 30 HZ3 LYS 30 -4.055 1.271 -7.949
208 H CYS 31 HN CYS 31 -6.283 3.502 -3.390
209 HA CYS 31 HA CYS 31 -7.236 2.316 -0.933
210 1HB CYS 31 HB2 CYS 31 -8.292 4.339 -0.421
211 2HB CYS 31 HB1 CYS 31 -6.765 4.748 -1.143
212 H ILE 32 HN ILE 32 -8.592 0.723 -1.083
213 HA ILE 32 HA ILE 32 -10.950 1.067 -2.837
214 HB ILE 32 HB ILE 32 -11.129 -1.433 -2.807
215 1HG1 ILE 32 HG12 ILE 32 -8.283 -1.283 -1.767
216 2HG1 ILE 32 HG11 ILE 32 -9.673 -1.824 -0.832
217 1HG2 ILE 32 HG21 ILE 32 -9.587 -1.768 -4.609
218 2HG2 ILE 32 HG22 ILE 32 -8.586 -0.421 -4.074
219 3HG2 ILE 32 HG23 ILE 32 -10.203 -0.125 -4.710
220 1HD1 ILE 32 HD11 ILE 32 -9.453 -3.303 -3.309
221 2HD1 ILE 32 HD12 ILE 32 -9.523 -3.854 -1.653
222 3HD1 ILE 32 HD13 ILE 32 -7.978 -3.375 -2.354
223 H ASN 33 HN ASN 33 -12.915 0.661 -1.944
224 HA ASN 33 HA ASN 33 -14.475 0.841 -0.321
225 1HB ASN 33 HB2 ASN 33 -12.619 -0.883 1.348
226 2HB ASN 33 HB1 ASN 33 -14.316 -0.562 1.677
227 1HD2 ASN 33 HD21 ASN 33 -12.927 -3.092 1.271
228 2HD2 ASN 33 HD22 ASN 33 -13.742 -3.852 -0.049
229 H LYS 34 HN LYS 34 -12.474 2.841 -0.597
230 HA LYS 34 HA LYS 34 -11.632 4.663 0.390
231 1HB LYS 34 HB2 LYS 34 -13.643 3.951 2.507
232 2HB LYS 34 HB1 LYS 34 -12.681 5.418 2.559
233 1HG LYS 34 HG2 LYS 34 -13.634 6.214 0.535
234 2HG LYS 34 HG1 LYS 34 -14.510 4.703 0.283
235 1HD LYS 34 HD2 LYS 34 -15.879 5.088 2.203
236 2HD LYS 34 HD1 LYS 34 -14.917 6.488 2.683
237 1HE LYS 34 HE2 LYS 34 -16.534 6.288 0.142
238 2HE LYS 34 HE1 LYS 34 -17.052 7.099 1.618
239 1HZ LYS 34 HZ1 LYS 34 -14.788 7.841 -0.140
240 2HZ LYS 34 HZ2 LYS 34 -15.017 8.516 1.395
241 3HZ LYS 34 HZ3 LYS 34 -16.181 8.735 0.190
242 H SER 35 HN SER 35 -10.344 2.058 0.855
243 HA SER 35 HA SER 35 -8.672 2.889 3.112
244 1HB SER 35 HB2 SER 35 -10.263 1.198 3.971
245 2HB SER 35 HB1 SER 35 -9.710 0.063 2.743
246 HG SER 35 HG SER 35 -8.687 -0.188 4.817
247 H CYS 36 HN CYS 36 -6.610 2.949 2.482
248 HA CYS 36 HA CYS 36 -5.823 1.997 -0.082
249 1HB CYS 36 HB2 CYS 36 -4.237 3.182 2.169
250 2HB CYS 36 HB1 CYS 36 -3.545 2.766 0.603
251 H LYS 37 HN LYS 37 -5.760 -0.119 -0.431
252 HA LYS 37 HA LYS 37 -4.460 -1.853 1.545
253 1HB LYS 37 HB2 LYS 37 -6.130 -2.396 -0.900
254 2HB LYS 37 HB1 LYS 37 -5.134 -3.637 -0.159
255 1HG LYS 37 HG2 LYS 37 -6.363 -3.217 1.990
256 2HG LYS 37 HG1 LYS 37 -7.434 -2.144 1.085
257 1HD LYS 37 HD2 LYS 37 -8.397 -4.384 1.329
258 2HD LYS 37 HD1 LYS 37 -8.079 -4.002 -0.337
259 1HE LYS 37 HE2 LYS 37 -6.007 -5.310 -0.270
260 2HE LYS 37 HE1 LYS 37 -6.337 -5.691 1.417
261 1HZ LYS 37 HZ1 LYS 37 -8.337 -6.840 0.701
262 2HZ LYS 37 HZ2 LYS 37 -6.968 -7.474 -0.063
263 3HZ LYS 37 HZ3 LYS 37 -8.009 -6.451 -0.915
264 H CYS 38 HN CYS 38 -2.508 -2.665 1.256
265 HA CYS 38 HA CYS 38 -0.980 -1.857 -1.116
266 1HB CYS 38 HB2 CYS 38 -0.105 -3.127 1.489
267 2HB CYS 38 HB1 CYS 38 0.971 -2.633 0.186
268 H TYR 39 HN TYR 39 0.144 -3.372 -2.383
269 HA TYR 39 HA TYR 39 -1.147 -5.994 -2.526
270 1HB TYR 39 HB2 TYR 39 1.039 -4.863 -4.291
271 2HB TYR 39 HB1 TYR 39 0.021 -6.261 -4.617
272 HD1 TYR 39 HD1 TYR 39 -2.533 -5.826 -4.828
273 HD2 TYR 39 HD2 TYR 39 0.415 -2.775 -5.085
274 HE1 TYR 39 HE1 TYR 39 -4.125 -4.391 -6.033
275 HE2 TYR 39 HE2 TYR 39 -1.162 -1.333 -6.287
276 HH TYR 39 HH TYR 39 -3.604 -2.197 -7.851
277 H GLY 40 HN GLY 40 0.958 -5.033 -0.416
278 1HA GLY 40 HA2 GLY 40 2.593 -6.026 0.784
279 2HA GLY 40 HA1 GLY 40 2.422 -7.470 -0.211
280 H CYS 41 HN CYS 41 4.038 -7.887 -1.582
281 HA CYS 41 HA CYS 41 5.491 -5.674 -2.827
282 1HB CYS 41 HB2 CYS 41 6.813 -7.899 -1.263
283 2HB CYS 41 HB1 CYS 41 7.670 -6.929 -2.459
Start of MODEL 5
1 1H TRP 1 HT1 TRP 1 4.061 1.897 11.117
2 2H TRP 1 HT2 TRP 1 3.703 2.983 12.397
3 3H TRP 1 HT3 TRP 1 5.062 1.971 12.504
4 HA TRP 1 HA TRP 1 5.624 4.244 11.973
5 1HB TRP 1 HB2 TRP 1 6.156 2.209 9.788
6 2HB TRP 1 HB1 TRP 1 7.059 3.703 10.017
7 HD1 TRP 1 HD1 TRP 1 6.922 0.151 11.193
8 HE1 TRP 1 HE1 TRP 1 8.731 -0.238 12.983
9 HE3 TRP 1 HE3 TRP 1 8.282 5.006 12.050
10 HZ2 TRP 1 HZ2 TRP 1 10.489 1.304 14.555
11 HZ3 TRP 1 HZ3 TRP 1 10.029 5.462 13.721
12 HH2 TRP 1 HH2 TRP 1 11.108 3.648 14.948
13 H CYS 2 HN CYS 2 2.955 4.530 11.515
14 HA CYS 2 HA CYS 2 2.433 5.042 8.727
15 1HB CYS 2 HB2 CYS 2 0.643 4.214 10.116
16 2HB CYS 2 HB1 CYS 2 0.825 5.558 11.232
17 H SER 3 HN SER 3 2.646 6.906 7.687
18 HA SER 3 HA SER 3 3.768 9.222 9.020
19 1HB SER 3 HB2 SER 3 2.907 8.971 6.128
20 2HB SER 3 HB1 SER 3 4.043 10.114 6.824
21 HG SER 3 HG SER 3 4.995 8.274 5.735
22 H THR 4 HN THR 4 0.952 8.814 6.836
23 HA THR 4 HA THR 4 -0.721 10.364 8.632
24 HB THR 4 HB THR 4 -0.374 11.343 5.761
25 HG1 THR 4 HG1 THR 4 0.792 12.396 8.165
26 1HG2 THR 4 HG21 THR 4 -2.445 12.112 6.491
27 2HG2 THR 4 HG22 THR 4 -1.373 13.431 6.937
28 3HG2 THR 4 HG23 THR 4 -1.915 12.291 8.165
29 H CYS 5 HN CYS 5 -0.723 7.680 7.789
30 HA CYS 5 HA CYS 5 -2.620 7.308 5.692
31 1HB CYS 5 HB2 CYS 5 -2.357 4.955 6.043
32 2HB CYS 5 HB1 CYS 5 -0.782 5.724 6.072
33 H LEU 6 HN LEU 6 -2.991 8.211 8.857
34 HA LEU 6 HA LEU 6 -5.323 6.647 9.475
35 1HB LEU 6 HB2 LEU 6 -3.665 7.602 11.151
36 2HB LEU 6 HB1 LEU 6 -4.326 9.186 10.814
37 HG LEU 6 HG LEU 6 -5.140 8.050 12.922
38 1HD1 LEU 6 HD11 LEU 6 -6.379 9.883 11.622
39 2HD1 LEU 6 HD12 LEU 6 -7.280 8.936 12.800
40 3HD1 LEU 6 HD13 LEU 6 -7.455 8.591 11.087
41 1HD2 LEU 6 HD21 LEU 6 -5.312 5.778 11.904
42 2HD2 LEU 6 HD22 LEU 6 -6.744 6.331 11.031
43 3HD2 LEU 6 HD23 LEU 6 -6.744 6.293 12.791
44 H ASP 7 HN ASP 7 -4.539 9.874 8.289
45 HA ASP 7 HA ASP 7 -7.400 10.493 7.921
46 1HB ASP 7 HB2 ASP 7 -4.953 12.255 7.621
47 2HB ASP 7 HB1 ASP 7 -6.630 12.777 7.482
48 H LEU 8 HN LEU 8 -5.830 8.543 6.266
49 HA LEU 8 HA LEU 8 -5.790 9.959 3.709
50 1HB LEU 8 HB2 LEU 8 -3.822 8.549 5.000
51 2HB LEU 8 HB1 LEU 8 -4.372 7.399 3.827
52 HG LEU 8 HG LEU 8 -2.444 8.714 3.054
53 1HD1 LEU 8 HD11 LEU 8 -3.172 8.591 0.975
54 2HD1 LEU 8 HD12 LEU 8 -4.404 9.807 1.207
55 3HD1 LEU 8 HD13 LEU 8 -4.729 8.136 1.609
56 1HD2 LEU 8 HD21 LEU 8 -2.759 11.098 2.522
57 2HD2 LEU 8 HD22 LEU 8 -2.822 10.775 4.234
58 3HD2 LEU 8 HD23 LEU 8 -4.295 11.085 3.343
59 H ALA 9 HN ALA 9 -8.186 8.842 4.824
60 HA ALA 9 HA ALA 9 -8.837 6.317 3.837
61 1HB ALA 9 HB1 ALA 9 -10.673 8.682 4.225
62 2HB ALA 9 HB2 ALA 9 -10.184 7.540 5.475
63 3HB ALA 9 HB3 ALA 9 -11.163 6.991 4.118
64 H CYS 10 HN CYS 10 -7.795 6.308 1.772
65 HA CYS 10 HA CYS 10 -7.452 6.639 -0.392
66 1HB CYS 10 HB2 CYS 10 -9.635 5.461 -0.656
67 2HB CYS 10 HB1 CYS 10 -10.449 7.010 -0.602
68 H THR 11 HN THR 11 -6.819 8.753 1.081
69 HA THR 11 HA THR 11 -7.955 11.135 -0.200
70 HB THR 11 HB THR 11 -5.677 11.125 1.801
71 HG1 THR 11 HG1 THR 11 -7.324 11.331 3.412
72 1HG2 THR 11 HG21 THR 11 -7.757 13.136 0.955
73 2HG2 THR 11 HG22 THR 11 -6.006 13.257 0.789
74 3HG2 THR 11 HG23 THR 11 -6.742 13.320 2.384
75 H GLY 12 HN GLY 12 -6.556 9.132 -1.750
76 1HA GLY 12 HA2 GLY 12 -5.300 9.645 -3.687
77 2HA GLY 12 HA1 GLY 12 -4.294 10.718 -2.732
78 H SER 13 HN SER 13 -4.610 7.600 -3.984
79 HA SER 13 HA SER 13 -3.057 6.092 -2.165
80 1HB SER 13 HB2 SER 13 -3.195 5.863 -5.188
81 2HB SER 13 HB1 SER 13 -2.579 4.631 -4.083
82 HG SER 13 HG SER 13 -5.228 5.525 -4.448
83 H LYS 14 HN LYS 14 -2.308 8.516 -4.552
84 HA LYS 14 HA LYS 14 0.439 8.257 -4.791
85 1HB LYS 14 HB2 LYS 14 -1.255 10.722 -4.786
86 2HB LYS 14 HB1 LYS 14 0.423 10.670 -5.321
87 1HG LYS 14 HG2 LYS 14 -0.146 9.186 -7.116
88 2HG LYS 14 HG1 LYS 14 -1.822 9.099 -6.576
89 1HD LYS 14 HD2 LYS 14 -2.210 11.384 -7.087
90 2HD LYS 14 HD1 LYS 14 -0.492 11.696 -7.348
91 1HE LYS 14 HE2 LYS 14 -2.237 9.910 -9.043
92 2HE LYS 14 HE1 LYS 14 -1.714 11.543 -9.455
93 1HZ LYS 14 HZ1 LYS 14 -0.061 9.105 -9.215
94 2HZ LYS 14 HZ2 LYS 14 0.634 10.650 -9.202
95 3HZ LYS 14 HZ3 LYS 14 -0.245 10.124 -10.546
96 H ASP 15 HN ASP 15 -1.511 9.667 -2.258
97 HA ASP 15 HA ASP 15 0.721 10.802 -0.836
98 1HB ASP 15 HB2 ASP 15 -1.767 11.530 -0.720
99 2HB ASP 15 HB1 ASP 15 -1.980 10.177 0.368
100 H CYS 16 HN CYS 16 -1.454 8.012 -0.439
101 HA CYS 16 HA CYS 16 -0.225 7.086 1.915
102 1HB CYS 16 HB2 CYS 16 -2.542 6.522 1.141
103 2HB CYS 16 HB1 CYS 16 -1.831 5.392 -0.005
104 H TYR 17 HN TYR 17 0.963 6.945 -1.269
105 HA TYR 17 HA TYR 17 2.381 4.538 -1.332
106 1HB TYR 17 HB2 TYR 17 3.085 7.295 -2.347
107 2HB TYR 17 HB1 TYR 17 4.114 5.898 -2.641
108 HD1 TYR 17 HD1 TYR 17 2.876 7.658 -4.753
109 HD2 TYR 17 HD2 TYR 17 1.532 4.021 -2.983
110 HE1 TYR 17 HE1 TYR 17 1.605 7.129 -6.781
111 HE2 TYR 17 HE2 TYR 17 0.269 3.505 -5.000
112 HH TYR 17 HH TYR 17 -0.751 5.326 -7.066
113 H ALA 18 HN ALA 18 3.134 7.609 0.252
114 HA ALA 18 HA ALA 18 5.729 6.884 1.076
115 1HB ALA 18 HB1 ALA 18 5.077 8.758 2.915
116 2HB ALA 18 HB2 ALA 18 3.868 9.088 1.674
117 3HB ALA 18 HB3 ALA 18 5.576 9.103 1.263
118 HA PRO 19 HA PRO 19 3.713 5.697 5.437
119 1HB PRO 19 HB2 PRO 19 0.992 4.997 4.404
120 2HB PRO 19 HB1 PRO 19 1.477 5.675 5.962
121 1HG PRO 19 HG2 PRO 19 0.349 7.190 4.096
122 2HG PRO 19 HG1 PRO 19 1.649 7.811 5.114
123 1HD PRO 19 HD2 PRO 19 1.763 6.960 2.290
124 2HD PRO 19 HD1 PRO 19 2.605 8.243 3.101
125 H CYS 20 HN CYS 20 2.348 4.175 2.498
126 HA CYS 20 HA CYS 20 2.453 1.532 3.461
127 1HB CYS 20 HB2 CYS 20 1.143 2.201 1.481
128 2HB CYS 20 HB1 CYS 20 2.632 2.485 0.590
129 H ARG 21 HN ARG 21 4.793 3.406 1.540
130 HA ARG 21 HA ARG 21 6.745 1.385 1.283
131 1HB ARG 21 HB2 ARG 21 6.954 3.299 -0.093
132 2HB ARG 21 HB1 ARG 21 6.889 4.397 1.278
133 1HG ARG 21 HG2 ARG 21 9.093 3.579 2.017
134 2HG ARG 21 HG1 ARG 21 9.144 2.506 0.617
135 1HD ARG 21 HD2 ARG 21 8.884 5.496 0.469
136 2HD ARG 21 HD1 ARG 21 10.415 4.647 0.402
137 HE ARG 21 HE ARG 21 9.480 3.465 -1.605
138 1HH1 ARG 21 HH11 ARG 21 8.495 6.744 -0.767
139 2HH1 ARG 21 HH12 ARG 21 8.090 7.141 -2.388
140 1HH2 ARG 21 HH21 ARG 21 8.979 4.051 -3.735
141 2HH2 ARG 21 HH22 ARG 21 8.347 5.624 -4.074
142 H LYS 22 HN LYS 22 6.229 3.880 3.748
143 HA LYS 22 HA LYS 22 8.565 3.326 5.227
144 1HB LYS 22 HB2 LYS 22 7.187 5.422 5.341
145 2HB LYS 22 HB1 LYS 22 5.973 4.527 6.239
146 1HG LYS 22 HG2 LYS 22 7.315 5.796 7.752
147 2HG LYS 22 HG1 LYS 22 7.642 4.082 8.000
148 1HD LYS 22 HD2 LYS 22 9.695 4.242 6.734
149 2HD LYS 22 HD1 LYS 22 9.358 5.929 6.338
150 1HE LYS 22 HE2 LYS 22 9.836 4.813 9.102
151 2HE LYS 22 HE1 LYS 22 10.994 5.729 8.138
152 1HZ LYS 22 HZ1 LYS 22 9.292 7.568 8.134
153 2HZ LYS 22 HZ2 LYS 22 10.023 7.238 9.621
154 3HZ LYS 22 HZ3 LYS 22 8.457 6.690 9.319
155 H GLN 23 HN GLN 23 5.372 1.905 5.227
156 HA GLN 23 HA GLN 23 5.723 0.563 7.758
157 1HB GLN 23 HB2 GLN 23 3.519 1.340 6.909
158 2HB GLN 23 HB1 GLN 23 3.612 0.145 5.624
159 1HG GLN 23 HG2 GLN 23 3.765 -1.616 7.422
160 2HG GLN 23 HG1 GLN 23 3.426 -0.337 8.588
161 1HE2 GLN 23 HE21 GLN 23 1.869 -2.727 7.936
162 2HE2 GLN 23 HE22 GLN 23 0.322 -2.143 7.438
163 H THR 24 HN THR 24 5.180 -0.648 4.429
164 HA THR 24 HA THR 24 6.094 -3.274 5.245
165 HB THR 24 HB THR 24 5.415 -3.968 2.973
166 HG1 THR 24 HG1 THR 24 4.853 -2.489 1.461
167 1HG2 THR 24 HG21 THR 24 3.388 -2.150 4.280
168 2HG2 THR 24 HG22 THR 24 3.693 -3.834 4.709
169 3HG2 THR 24 HG23 THR 24 3.042 -3.432 3.121
170 H GLY 25 HN GLY 25 7.319 -0.574 3.372
171 1HA GLY 25 HA2 GLY 25 9.700 -0.390 3.009
172 2HA GLY 25 HA1 GLY 25 9.779 -2.129 2.806
173 H CYS 26 HN CYS 26 6.982 -1.461 1.348
174 HA CYS 26 HA CYS 26 8.214 -0.757 -1.216
175 1HB CYS 26 HB2 CYS 26 6.225 -2.983 -0.760
176 2HB CYS 26 HB1 CYS 26 6.924 -2.509 -2.308
177 HA PRO 27 HA PRO 27 4.872 2.135 -1.191
178 1HB PRO 27 HB2 PRO 27 5.419 3.418 -3.444
179 2HB PRO 27 HB1 PRO 27 6.629 3.330 -2.166
180 1HG PRO 27 HG2 PRO 27 6.407 1.651 -4.638
181 2HG PRO 27 HG1 PRO 27 7.827 2.477 -3.988
182 1HD PRO 27 HD2 PRO 27 7.262 -0.178 -3.561
183 2HD PRO 27 HD1 PRO 27 8.256 0.824 -2.484
184 H ASN 28 HN ASN 28 4.256 -0.622 -2.442
185 HA ASN 28 HA ASN 28 2.579 0.022 -4.708
186 1HB ASN 28 HB2 ASN 28 2.973 -2.553 -3.158
187 2HB ASN 28 HB1 ASN 28 1.989 -2.385 -4.595
188 1HD2 ASN 28 HD21 ASN 28 3.179 -3.891 -5.730
189 2HD2 ASN 28 HD22 ASN 28 4.759 -3.519 -6.319
190 H ALA 29 HN ALA 29 0.964 1.404 -3.928
191 HA ALA 29 HA ALA 29 -0.933 0.159 -2.033
192 1HB ALA 29 HB1 ALA 29 -1.264 2.250 -0.929
193 2HB ALA 29 HB2 ALA 29 -0.173 3.070 -2.046
194 3HB ALA 29 HB3 ALA 29 0.457 1.870 -0.919
195 H LYS 30 HN LYS 30 -3.070 0.528 -2.346
196 HA LYS 30 HA LYS 30 -3.990 2.387 -4.396
197 1HB LYS 30 HB2 LYS 30 -3.540 0.211 -5.575
198 2HB LYS 30 HB1 LYS 30 -4.728 -0.556 -4.527
199 1HG LYS 30 HG2 LYS 30 -6.435 1.029 -5.420
200 2HG LYS 30 HG1 LYS 30 -5.206 1.636 -6.533
201 1HD LYS 30 HD2 LYS 30 -4.967 -0.692 -7.408
202 2HD LYS 30 HD1 LYS 30 -6.319 -1.168 -6.386
203 1HE LYS 30 HE2 LYS 30 -7.093 -0.762 -8.628
204 2HE LYS 30 HE1 LYS 30 -7.723 0.496 -7.567
205 1HZ LYS 30 HZ1 LYS 30 -6.130 2.029 -8.387
206 2HZ LYS 30 HZ2 LYS 30 -6.830 1.288 -9.732
207 3HZ LYS 30 HZ3 LYS 30 -5.282 0.830 -9.233
208 H CYS 31 HN CYS 31 -5.966 3.244 -3.788
209 HA CYS 31 HA CYS 31 -6.904 2.442 -1.188
210 1HB CYS 31 HB2 CYS 31 -8.135 4.388 -1.109
211 2HB CYS 31 HB1 CYS 31 -6.686 4.846 -1.970
212 H ILE 32 HN ILE 32 -8.439 1.085 -0.751
213 HA ILE 32 HA ILE 32 -10.801 0.923 -2.450
214 HB ILE 32 HB ILE 32 -10.856 -1.615 -2.093
215 1HG1 ILE 32 HG12 ILE 32 -8.398 -2.549 -2.151
216 2HG1 ILE 32 HG11 ILE 32 -7.984 -1.055 -1.333
217 1HG2 ILE 32 HG21 ILE 32 -10.539 -0.605 -4.268
218 2HG2 ILE 32 HG22 ILE 32 -9.587 -2.080 -4.110
219 3HG2 ILE 32 HG23 ILE 32 -8.800 -0.505 -3.988
220 1HD1 ILE 32 HD11 ILE 32 -8.669 -3.336 -0.109
221 2HD1 ILE 32 HD12 ILE 32 -10.244 -2.551 -0.169
222 3HD1 ILE 32 HD13 ILE 32 -8.878 -1.742 0.601
223 H ASN 33 HN ASN 33 -12.674 0.496 -1.258
224 HA ASN 33 HA ASN 33 -14.002 0.643 0.584
225 1HB ASN 33 HB2 ASN 33 -11.787 -1.073 1.752
226 2HB ASN 33 HB1 ASN 33 -13.298 -0.737 2.584
227 1HD2 ASN 33 HD21 ASN 33 -13.637 -3.018 2.623
228 2HD2 ASN 33 HD22 ASN 33 -14.241 -3.818 1.216
229 H LYS 34 HN LYS 34 -12.499 2.837 0.089
230 HA LYS 34 HA LYS 34 -11.466 4.665 0.830
231 1HB LYS 34 HB2 LYS 34 -12.394 5.752 2.786
232 2HB LYS 34 HB1 LYS 34 -13.649 5.036 1.791
233 1HG LYS 34 HG2 LYS 34 -13.984 3.258 3.350
234 2HG LYS 34 HG1 LYS 34 -12.572 3.742 4.288
235 1HD LYS 34 HD2 LYS 34 -14.657 4.456 5.352
236 2HD LYS 34 HD1 LYS 34 -13.657 5.832 4.888
237 1HE LYS 34 HE2 LYS 34 -15.993 6.236 4.376
238 2HE LYS 34 HE1 LYS 34 -15.055 6.169 2.894
239 1HZ LYS 34 HZ1 LYS 34 -15.854 3.965 2.481
240 2HZ LYS 34 HZ2 LYS 34 -17.182 4.956 2.801
241 3HZ LYS 34 HZ3 LYS 34 -16.624 3.892 3.989
242 H SER 35 HN SER 35 -9.974 2.273 1.294
243 HA SER 35 HA SER 35 -8.163 3.327 3.337
244 1HB SER 35 HB2 SER 35 -8.957 0.402 3.163
245 2HB SER 35 HB1 SER 35 -7.796 1.116 4.285
246 HG SER 35 HG SER 35 -9.911 0.786 5.185
247 H CYS 36 HN CYS 36 -6.093 3.301 2.621
248 HA CYS 36 HA CYS 36 -5.611 2.337 -0.055
249 1HB CYS 36 HB2 CYS 36 -3.283 3.222 0.339
250 2HB CYS 36 HB1 CYS 36 -4.601 4.383 0.367
251 H LYS 37 HN LYS 37 -5.477 0.236 -0.298
252 HA LYS 37 HA LYS 37 -4.142 -1.437 1.682
253 1HB LYS 37 HB2 LYS 37 -6.278 -2.160 0.751
254 2HB LYS 37 HB1 LYS 37 -5.608 -2.073 -0.866
255 1HG LYS 37 HG2 LYS 37 -3.978 -3.882 -0.175
256 2HG LYS 37 HG1 LYS 37 -4.876 -3.995 1.338
257 1HD LYS 37 HD2 LYS 37 -5.599 -5.700 -0.239
258 2HD LYS 37 HD1 LYS 37 -6.905 -4.562 0.089
259 1HE LYS 37 HE2 LYS 37 -6.322 -3.369 -2.025
260 2HE LYS 37 HE1 LYS 37 -5.103 -4.601 -2.334
261 1HZ LYS 37 HZ1 LYS 37 -8.024 -5.050 -2.083
262 2HZ LYS 37 HZ2 LYS 37 -6.866 -6.244 -2.402
263 3HZ LYS 37 HZ3 LYS 37 -7.144 -5.013 -3.526
264 H CYS 38 HN CYS 38 -2.202 -2.394 1.383
265 HA CYS 38 HA CYS 38 -0.649 -1.566 -0.934
266 1HB CYS 38 HB2 CYS 38 0.170 -3.003 1.587
267 2HB CYS 38 HB1 CYS 38 1.276 -2.484 0.320
268 H TYR 39 HN TYR 39 0.386 -3.013 -2.330
269 HA TYR 39 HA TYR 39 -0.982 -5.537 -2.766
270 1HB TYR 39 HB2 TYR 39 1.390 -4.295 -4.173
271 2HB TYR 39 HB1 TYR 39 0.584 -5.758 -4.688
272 HD1 TYR 39 HD1 TYR 39 0.053 -2.111 -4.233
273 HD2 TYR 39 HD2 TYR 39 -1.285 -5.676 -6.097
274 HE1 TYR 39 HE1 TYR 39 -1.395 -0.775 -5.673
275 HE2 TYR 39 HE2 TYR 39 -2.764 -4.356 -7.544
276 HH TYR 39 HH TYR 39 -2.518 -1.567 -8.350
277 H GLY 40 HN GLY 40 0.826 -5.066 -0.327
278 1HA GLY 40 HA2 GLY 40 2.317 -6.240 0.897
279 2HA GLY 40 HA1 GLY 40 2.282 -7.516 -0.317
280 H CYS 41 HN CYS 41 3.813 -7.561 -1.881
281 HA CYS 41 HA CYS 41 5.256 -5.409 -2.854
282 1HB CYS 41 HB2 CYS 41 6.326 -5.464 -0.557
283 2HB CYS 41 HB1 CYS 41 6.967 -7.043 -0.957
Start of MODEL 6
1 1H TRP 1 HT1 TRP 1 0.757 0.299 12.476
2 2H TRP 1 HT2 TRP 1 1.170 -1.354 12.642
3 3H TRP 1 HT3 TRP 1 1.046 -0.660 11.081
4 HA TRP 1 HA TRP 1 3.041 -0.144 13.182
5 1HB TRP 1 HB2 TRP 1 3.088 -1.410 10.453
6 2HB TRP 1 HB1 TRP 1 4.561 -0.746 11.150
7 HD1 TRP 1 HD1 TRP 1 2.078 -3.628 11.600
8 HE1 TRP 1 HE1 TRP 1 3.167 -5.398 13.120
9 HE3 TRP 1 HE3 TRP 1 6.250 -1.037 13.010
10 HZ2 TRP 1 HZ2 TRP 1 5.484 -5.659 14.707
11 HZ3 TRP 1 HZ3 TRP 1 7.849 -2.118 14.532
12 HH2 TRP 1 HH2 TRP 1 7.472 -4.380 15.361
13 H CYS 2 HN CYS 2 1.463 1.131 10.322
14 HA CYS 2 HA CYS 2 3.423 3.283 10.109
15 1HB CYS 2 HB2 CYS 2 2.009 4.054 8.212
16 2HB CYS 2 HB1 CYS 2 2.660 2.440 8.035
17 H SER 3 HN SER 3 3.275 4.940 11.447
18 HA SER 3 HA SER 3 0.900 5.520 12.940
19 1HB SER 3 HB2 SER 3 3.142 5.827 13.895
20 2HB SER 3 HB1 SER 3 3.500 7.061 12.689
21 HG SER 3 HG SER 3 1.683 7.168 14.847
22 H THR 4 HN THR 4 2.062 6.474 9.866
23 HA THR 4 HA THR 4 0.699 9.024 9.817
24 HB THR 4 HB THR 4 1.352 8.866 7.315
25 HG1 THR 4 HG1 THR 4 1.672 6.489 7.494
26 1HG2 THR 4 HG21 THR 4 3.534 8.769 9.395
27 2HG2 THR 4 HG22 THR 4 2.611 10.198 8.927
28 3HG2 THR 4 HG23 THR 4 3.678 9.416 7.761
29 H CYS 5 HN CYS 5 -0.362 5.868 9.616
30 HA CYS 5 HA CYS 5 -2.310 6.332 7.504
31 1HB CYS 5 HB2 CYS 5 -1.858 3.912 9.259
32 2HB CYS 5 HB1 CYS 5 -2.913 3.992 7.852
33 H LEU 6 HN LEU 6 -3.389 8.084 8.709
34 HA LEU 6 HA LEU 6 -5.354 6.962 10.608
35 1HB LEU 6 HB2 LEU 6 -5.448 8.984 11.838
36 2HB LEU 6 HB1 LEU 6 -3.787 8.433 11.803
37 HG LEU 6 HG LEU 6 -4.780 10.603 9.942
38 1HD1 LEU 6 HD11 LEU 6 -3.925 12.231 11.499
39 2HD1 LEU 6 HD12 LEU 6 -3.559 10.952 12.660
40 3HD1 LEU 6 HD13 LEU 6 -5.233 11.297 12.222
41 1HD2 LEU 6 HD21 LEU 6 -2.090 9.567 10.784
42 2HD2 LEU 6 HD22 LEU 6 -2.286 11.208 10.166
43 3HD2 LEU 6 HD23 LEU 6 -2.723 9.840 9.164
44 H ASP 7 HN ASP 7 -4.763 9.454 8.125
45 HA ASP 7 HA ASP 7 -7.585 9.218 7.339
46 1HB ASP 7 HB2 ASP 7 -7.240 11.123 9.020
47 2HB ASP 7 HB1 ASP 7 -6.308 11.937 7.772
48 H LEU 8 HN LEU 8 -6.648 8.121 5.531
49 HA LEU 8 HA LEU 8 -5.574 10.004 3.510
50 1HB LEU 8 HB2 LEU 8 -4.733 7.124 3.952
51 2HB LEU 8 HB1 LEU 8 -4.323 8.065 2.539
52 HG LEU 8 HG LEU 8 -2.400 8.053 3.856
53 1HD1 LEU 8 HD11 LEU 8 -2.036 10.378 4.401
54 2HD1 LEU 8 HD12 LEU 8 -3.761 10.688 4.368
55 3HD1 LEU 8 HD13 LEU 8 -2.924 10.219 2.897
56 1HD2 LEU 8 HD21 LEU 8 -3.969 7.585 6.004
57 2HD2 LEU 8 HD22 LEU 8 -3.523 9.266 6.297
58 3HD2 LEU 8 HD23 LEU 8 -2.279 8.045 6.068
59 H ALA 9 HN ALA 9 -8.267 9.163 4.148
60 HA ALA 9 HA ALA 9 -9.228 7.026 2.794
61 1HB ALA 9 HB1 ALA 9 -10.662 9.618 3.303
62 2HB ALA 9 HB2 ALA 9 -10.488 8.285 4.443
63 3HB ALA 9 HB3 ALA 9 -11.431 8.065 2.971
64 H CYS 10 HN CYS 10 -8.089 6.952 0.797
65 HA CYS 10 HA CYS 10 -7.789 7.204 -1.425
66 1HB CYS 10 HB2 CYS 10 -10.703 7.983 -1.231
67 2HB CYS 10 HB1 CYS 10 -9.861 7.816 -2.769
68 H THR 11 HN THR 11 -6.730 9.159 0.053
69 HA THR 11 HA THR 11 -7.401 11.729 -1.119
70 HB THR 11 HB THR 11 -6.506 11.598 1.206
71 HG1 THR 11 HG1 THR 11 -6.147 13.551 0.244
72 1HG2 THR 11 HG21 THR 11 -3.912 10.779 -0.106
73 2HG2 THR 11 HG22 THR 11 -4.933 9.724 0.867
74 3HG2 THR 11 HG23 THR 11 -4.175 11.133 1.591
75 H GLY 12 HN GLY 12 -5.592 8.992 -1.980
76 1HA GLY 12 HA2 GLY 12 -5.039 9.409 -4.473
77 2HA GLY 12 HA1 GLY 12 -3.817 10.469 -3.784
78 H SER 13 HN SER 13 -3.887 7.718 -5.239
79 HA SER 13 HA SER 13 -2.781 5.806 -3.490
80 1HB SER 13 HB2 SER 13 -2.255 6.152 -6.460
81 2HB SER 13 HB1 SER 13 -1.986 4.686 -5.513
82 HG SER 13 HG SER 13 -4.404 5.867 -6.323
83 H LYS 14 HN LYS 14 -1.292 8.275 -5.543
84 HA LYS 14 HA LYS 14 1.400 7.766 -5.060
85 1HB LYS 14 HB2 LYS 14 1.761 10.152 -5.626
86 2HB LYS 14 HB1 LYS 14 0.662 9.353 -6.744
87 1HG LYS 14 HG2 LYS 14 -1.252 10.364 -5.669
88 2HG LYS 14 HG1 LYS 14 -0.216 11.087 -4.444
89 1HD LYS 14 HD2 LYS 14 0.918 12.387 -6.203
90 2HD LYS 14 HD1 LYS 14 -0.198 11.703 -7.389
91 1HE LYS 14 HE2 LYS 14 -0.904 13.931 -6.680
92 2HE LYS 14 HE1 LYS 14 -2.084 12.708 -6.209
93 1HZ LYS 14 HZ1 LYS 14 -1.195 14.554 -4.556
94 2HZ LYS 14 HZ2 LYS 14 -0.028 13.374 -4.233
95 3HZ LYS 14 HZ3 LYS 14 -1.671 13.024 -4.036
96 H ASP 15 HN ASP 15 -0.990 9.349 -3.044
97 HA ASP 15 HA ASP 15 0.885 10.441 -1.162
98 1HB ASP 15 HB2 ASP 15 -2.103 9.991 -1.031
99 2HB ASP 15 HB1 ASP 15 -1.183 10.781 0.236
100 H CYS 16 HN CYS 16 -1.309 7.669 -1.253
101 HA CYS 16 HA CYS 16 -0.601 6.665 1.306
102 1HB CYS 16 HB2 CYS 16 -1.846 5.253 -1.063
103 2HB CYS 16 HB1 CYS 16 -1.791 4.636 0.587
104 H TYR 17 HN TYR 17 1.011 6.592 -1.717
105 HA TYR 17 HA TYR 17 2.516 4.252 -1.610
106 1HB TYR 17 HB2 TYR 17 2.807 6.924 -2.841
107 2HB TYR 17 HB1 TYR 17 4.318 6.087 -2.585
108 HD1 TYR 17 HD1 TYR 17 0.908 5.088 -3.773
109 HD2 TYR 17 HD2 TYR 17 5.085 5.070 -4.498
110 HE1 TYR 17 HE1 TYR 17 0.512 3.871 -5.852
111 HE2 TYR 17 HE2 TYR 17 4.712 3.813 -6.577
112 HH TYR 17 HH TYR 17 2.375 2.119 -7.310
113 H ALA 18 HN ALA 18 2.984 7.356 0.026
114 HA ALA 18 HA ALA 18 5.560 6.797 0.996
115 1HB ALA 18 HB1 ALA 18 5.318 8.982 1.243
116 2HB ALA 18 HB2 ALA 18 4.591 8.617 2.803
117 3HB ALA 18 HB3 ALA 18 3.569 8.899 1.395
118 HA PRO 19 HA PRO 19 3.541 5.513 5.256
119 1HB PRO 19 HB2 PRO 19 0.791 4.770 4.366
120 2HB PRO 19 HB1 PRO 19 1.333 5.563 5.840
121 1HG PRO 19 HG2 PRO 19 0.111 6.940 3.931
122 2HG PRO 19 HG1 PRO 19 1.462 7.647 4.837
123 1HD PRO 19 HD2 PRO 19 1.441 6.482 2.110
124 2HD PRO 19 HD1 PRO 19 2.245 7.915 2.694
125 H CYS 20 HN CYS 20 2.106 3.953 2.377
126 HA CYS 20 HA CYS 20 2.192 1.324 3.359
127 1HB CYS 20 HB2 CYS 20 0.872 1.978 1.398
128 2HB CYS 20 HB1 CYS 20 2.347 2.290 0.493
129 H ARG 21 HN ARG 21 4.542 3.110 1.355
130 HA ARG 21 HA ARG 21 6.402 0.958 1.188
131 1HB ARG 21 HB2 ARG 21 6.306 2.897 -0.360
132 2HB ARG 21 HB1 ARG 21 6.933 3.924 0.893
133 1HG ARG 21 HG2 ARG 21 8.987 2.610 0.960
134 2HG ARG 21 HG1 ARG 21 8.356 1.549 -0.300
135 1HD ARG 21 HD2 ARG 21 9.851 3.121 -1.286
136 2HD ARG 21 HD1 ARG 21 8.233 3.503 -1.816
137 HE ARG 21 HE ARG 21 9.793 4.974 0.222
138 1HH1 ARG 21 HH11 ARG 21 7.210 4.936 -2.167
139 2HH1 ARG 21 HH12 ARG 21 6.911 6.616 -2.023
140 1HH2 ARG 21 HH21 ARG 21 9.368 7.215 0.374
141 2HH2 ARG 21 HH22 ARG 21 8.118 7.915 -0.601
142 H LYS 22 HN LYS 22 5.998 3.691 3.384
143 HA LYS 22 HA LYS 22 8.473 3.391 4.717
144 1HB LYS 22 HB2 LYS 22 6.937 5.405 4.732
145 2HB LYS 22 HB1 LYS 22 5.948 4.559 5.915
146 1HG LYS 22 HG2 LYS 22 7.814 4.499 7.458
147 2HG LYS 22 HG1 LYS 22 8.868 5.239 6.246
148 1HD LYS 22 HD2 LYS 22 7.325 7.217 6.238
149 2HD LYS 22 HD1 LYS 22 6.465 6.474 7.590
150 1HE LYS 22 HE2 LYS 22 8.524 6.517 8.916
151 2HE LYS 22 HE1 LYS 22 9.381 7.253 7.560
152 1HZ LYS 22 HZ1 LYS 22 7.910 9.166 7.717
153 2HZ LYS 22 HZ2 LYS 22 8.711 8.901 9.182
154 3HZ LYS 22 HZ3 LYS 22 7.088 8.459 9.019
155 H GLN 23 HN GLN 23 5.376 1.801 5.068
156 HA GLN 23 HA GLN 23 6.068 0.623 7.625
157 1HB GLN 23 HB2 GLN 23 3.722 1.224 6.836
158 2HB GLN 23 HB1 GLN 23 3.782 -0.180 5.803
159 1HG GLN 23 HG2 GLN 23 4.254 -0.358 8.774
160 2HG GLN 23 HG1 GLN 23 2.642 -0.384 8.074
161 1HE2 GLN 23 HE21 GLN 23 5.591 -2.171 8.534
162 2HE2 GLN 23 HE22 GLN 23 4.989 -3.671 7.926
163 H THR 24 HN THR 24 5.220 -0.819 4.445
164 HA THR 24 HA THR 24 6.478 -3.290 5.236
165 HB THR 24 HB THR 24 5.758 -4.089 3.011
166 HG1 THR 24 HG1 THR 24 4.765 -2.734 1.579
167 1HG2 THR 24 HG21 THR 24 3.608 -2.667 4.554
168 2HG2 THR 24 HG22 THR 24 4.229 -4.286 4.881
169 3HG2 THR 24 HG23 THR 24 3.346 -3.965 3.388
170 H GLY 25 HN GLY 25 7.165 -0.758 2.860
171 1HA GLY 25 HA2 GLY 25 9.572 -0.413 2.303
172 2HA GLY 25 HA1 GLY 25 9.692 -2.161 2.170
173 H CYS 26 HN CYS 26 6.799 -2.020 1.096
174 HA CYS 26 HA CYS 26 7.556 -1.439 -1.676
175 1HB CYS 26 HB2 CYS 26 5.376 -3.210 -0.604
176 2HB CYS 26 HB1 CYS 26 5.702 -2.930 -2.300
177 HA PRO 27 HA PRO 27 4.577 1.893 -1.200
178 1HB PRO 27 HB2 PRO 27 5.117 3.174 -3.453
179 2HB PRO 27 HB1 PRO 27 6.304 3.081 -2.193
180 1HG PRO 27 HG2 PRO 27 6.134 1.545 -4.727
181 2HG PRO 27 HG1 PRO 27 7.561 2.212 -3.916
182 1HD PRO 27 HD2 PRO 27 6.694 -0.437 -3.764
183 2HD PRO 27 HD1 PRO 27 7.829 0.354 -2.651
184 H ASN 28 HN ASN 28 4.078 -0.808 -2.879
185 HA ASN 28 HA ASN 28 2.273 0.018 -4.919
186 1HB ASN 28 HB2 ASN 28 2.697 -2.694 -3.631
187 2HB ASN 28 HB1 ASN 28 1.792 -2.388 -5.102
188 1HD2 ASN 28 HD21 ASN 28 4.209 -4.004 -4.590
189 2HD2 ASN 28 HD22 ASN 28 5.358 -3.418 -5.738
190 H ALA 29 HN ALA 29 0.618 1.249 -4.065
191 HA ALA 29 HA ALA 29 -1.164 -0.120 -2.157
192 1HB ALA 29 HB1 ALA 29 -1.668 2.019 -1.143
193 2HB ALA 29 HB2 ALA 29 -0.570 2.828 -2.264
194 3HB ALA 29 HB3 ALA 29 0.063 1.692 -1.074
195 H LYS 30 HN LYS 30 -3.347 0.178 -2.363
196 HA LYS 30 HA LYS 30 -4.394 1.736 -4.619
197 1HB LYS 30 HB2 LYS 30 -4.084 -0.616 -5.412
198 2HB LYS 30 HB1 LYS 30 -5.128 -1.168 -4.116
199 1HG LYS 30 HG2 LYS 30 -6.404 -1.098 -6.109
200 2HG LYS 30 HG1 LYS 30 -6.966 0.219 -5.082
201 1HD LYS 30 HD2 LYS 30 -5.658 1.815 -6.367
202 2HD LYS 30 HD1 LYS 30 -4.997 0.512 -7.358
203 1HE LYS 30 HE2 LYS 30 -7.897 1.336 -7.198
204 2HE LYS 30 HE1 LYS 30 -6.787 1.688 -8.520
205 1HZ LYS 30 HZ1 LYS 30 -8.062 -0.157 -9.170
206 2HZ LYS 30 HZ2 LYS 30 -7.842 -0.953 -7.699
207 3HZ LYS 30 HZ3 LYS 30 -6.543 -0.786 -8.773
208 H CYS 31 HN CYS 31 -6.173 2.863 -3.955
209 HA CYS 31 HA CYS 31 -7.027 2.481 -1.229
210 1HB CYS 31 HB2 CYS 31 -6.690 4.739 -2.265
211 2HB CYS 31 HB1 CYS 31 -8.145 4.457 -3.197
212 H ILE 32 HN ILE 32 -8.602 1.219 -0.585
213 HA ILE 32 HA ILE 32 -11.002 0.960 -2.272
214 HB ILE 32 HB ILE 32 -11.263 -1.392 -1.613
215 1HG1 ILE 32 HG12 ILE 32 -8.389 -1.356 -0.672
216 2HG1 ILE 32 HG11 ILE 32 -9.711 -1.146 0.449
217 1HG2 ILE 32 HG21 ILE 32 -9.587 -2.350 -3.108
218 2HG2 ILE 32 HG22 ILE 32 -8.665 -0.847 -3.047
219 3HG2 ILE 32 HG23 ILE 32 -10.273 -0.867 -3.770
220 1HD1 ILE 32 HD11 ILE 32 -9.047 -3.401 0.494
221 2HD1 ILE 32 HD12 ILE 32 -9.204 -3.537 -1.257
222 3HD1 ILE 32 HD13 ILE 32 -10.638 -3.302 -0.258
223 H ASN 33 HN ASN 33 -12.877 1.099 -1.143
224 HA ASN 33 HA ASN 33 -14.282 1.646 0.544
225 1HB ASN 33 HB2 ASN 33 -12.472 -0.067 2.270
226 2HB ASN 33 HB1 ASN 33 -14.157 0.342 2.585
227 1HD2 ASN 33 HD21 ASN 33 -12.947 -2.280 2.371
228 2HD2 ASN 33 HD22 ASN 33 -13.767 -3.073 1.073
229 H LYS 34 HN LYS 34 -12.277 3.526 0.018
230 HA LYS 34 HA LYS 34 -11.360 5.414 0.823
231 1HB LYS 34 HB2 LYS 34 -13.302 4.771 2.999
232 2HB LYS 34 HB1 LYS 34 -12.106 5.998 3.314
233 1HG LYS 34 HG2 LYS 34 -14.095 7.030 2.583
234 2HG LYS 34 HG1 LYS 34 -12.859 7.231 1.341
235 1HD LYS 34 HD2 LYS 34 -13.854 5.486 0.001
236 2HD LYS 34 HD1 LYS 34 -15.028 5.128 1.272
237 1HE LYS 34 HE2 LYS 34 -16.019 6.476 -0.507
238 2HE LYS 34 HE1 LYS 34 -16.000 7.345 1.025
239 1HZ LYS 34 HZ1 LYS 34 -14.179 8.657 0.292
240 2HZ LYS 34 HZ2 LYS 34 -15.327 8.673 -0.944
241 3HZ LYS 34 HZ3 LYS 34 -13.946 7.710 -1.094
242 H SER 35 HN SER 35 -10.102 2.733 1.334
243 HA SER 35 HA SER 35 -8.101 3.706 3.235
244 1HB SER 35 HB2 SER 35 -9.643 2.214 4.480
245 2HB SER 35 HB1 SER 35 -9.280 0.915 3.345
246 HG SER 35 HG SER 35 -7.948 0.682 5.114
247 H CYS 36 HN CYS 36 -6.216 3.680 2.237
248 HA CYS 36 HA CYS 36 -5.761 2.234 -0.190
249 1HB CYS 36 HB2 CYS 36 -3.858 3.739 1.589
250 2HB CYS 36 HB1 CYS 36 -3.457 3.106 -0.007
251 H LYS 37 HN LYS 37 -5.513 0.090 -0.210
252 HA LYS 37 HA LYS 37 -4.057 -1.204 2.002
253 1HB LYS 37 HB2 LYS 37 -4.864 -3.279 1.182
254 2HB LYS 37 HB1 LYS 37 -6.230 -2.175 1.269
255 1HG LYS 37 HG2 LYS 37 -6.345 -1.928 -1.039
256 2HG LYS 37 HG1 LYS 37 -4.740 -2.603 -1.305
257 1HD LYS 37 HD2 LYS 37 -5.502 -4.781 -0.549
258 2HD LYS 37 HD1 LYS 37 -7.115 -4.130 -0.258
259 1HE LYS 37 HE2 LYS 37 -7.351 -3.611 -2.614
260 2HE LYS 37 HE1 LYS 37 -5.709 -4.185 -2.922
261 1HZ LYS 37 HZ1 LYS 37 -7.346 -5.851 -3.484
262 2HZ LYS 37 HZ2 LYS 37 -7.959 -5.840 -1.909
263 3HZ LYS 37 HZ3 LYS 37 -6.383 -6.389 -2.202
264 H CYS 38 HN CYS 38 -2.438 -2.848 1.373
265 HA CYS 38 HA CYS 38 -0.867 -1.871 -0.923
266 1HB CYS 38 HB2 CYS 38 0.050 -3.274 1.585
267 2HB CYS 38 HB1 CYS 38 1.095 -2.731 0.277
268 H TYR 39 HN TYR 39 0.227 -3.384 -2.241
269 HA TYR 39 HA TYR 39 -1.337 -5.764 -2.722
270 1HB TYR 39 HB2 TYR 39 1.108 -4.631 -4.087
271 2HB TYR 39 HB1 TYR 39 0.287 -6.088 -4.628
272 HD1 TYR 39 HD1 TYR 39 -1.824 -5.976 -5.794
273 HD2 TYR 39 HD2 TYR 39 -0.004 -2.451 -4.341
274 HE1 TYR 39 HE1 TYR 39 -3.331 -4.617 -7.181
275 HE2 TYR 39 HE2 TYR 39 -1.478 -1.070 -5.708
276 HH TYR 39 HH TYR 39 -2.943 -1.875 -8.178
277 H GLY 40 HN GLY 40 0.316 -5.663 -0.218
278 1HA GLY 40 HA2 GLY 40 1.271 -7.270 1.036
279 2HA GLY 40 HA1 GLY 40 1.274 -8.333 -0.357
280 H CYS 41 HN CYS 41 3.237 -7.092 1.812
281 HA CYS 41 HA CYS 41 5.556 -7.403 0.083
282 1HB CYS 41 HB2 CYS 41 4.959 -4.955 0.100
283 2HB CYS 41 HB1 CYS 41 5.276 -4.953 1.795
Start of MODEL 7
1 1H TRP 1 HT1 TRP 1 1.836 0.992 13.376
2 2H TRP 1 HT2 TRP 1 1.658 -0.700 13.200
3 3H TRP 1 HT3 TRP 1 1.309 0.337 11.880
4 HA TRP 1 HA TRP 1 3.925 -0.167 13.151
5 1HB TRP 1 HB2 TRP 1 2.998 -1.935 11.628
6 2HB TRP 1 HB1 TRP 1 2.947 -0.746 10.335
7 HD1 TRP 1 HD1 TRP 1 5.467 0.309 9.646
8 HE1 TRP 1 HE1 TRP 1 7.709 -0.941 9.480
9 HE3 TRP 1 HE3 TRP 1 4.336 -3.785 12.499
10 HZ2 TRP 1 HZ2 TRP 1 8.845 -3.340 10.420
11 HZ3 TRP 1 HZ3 TRP 1 6.058 -5.513 12.808
12 HH2 TRP 1 HH2 TRP 1 8.266 -5.293 11.789
13 H CYS 2 HN CYS 2 2.249 1.469 10.472
14 HA CYS 2 HA CYS 2 4.513 3.228 10.038
15 1HB CYS 2 HB2 CYS 2 2.980 4.237 8.284
16 2HB CYS 2 HB1 CYS 2 3.442 2.566 8.067
17 H SER 3 HN SER 3 4.830 4.940 11.282
18 HA SER 3 HA SER 3 2.769 6.039 12.958
19 1HB SER 3 HB2 SER 3 5.574 7.070 12.458
20 2HB SER 3 HB1 SER 3 4.526 7.457 13.826
21 HG SER 3 HG SER 3 4.782 5.423 14.604
22 H THR 4 HN THR 4 1.944 6.349 10.355
23 HA THR 4 HA THR 4 1.671 9.231 10.191
24 HB THR 4 HB THR 4 2.413 7.652 7.690
25 HG1 THR 4 HG1 THR 4 4.274 7.635 8.864
26 1HG2 THR 4 HG21 THR 4 2.849 9.894 6.779
27 2HG2 THR 4 HG22 THR 4 2.306 10.614 8.293
28 3HG2 THR 4 HG23 THR 4 1.172 9.711 7.288
29 H CYS 5 HN CYS 5 0.586 6.021 9.616
30 HA CYS 5 HA CYS 5 -1.603 6.697 7.938
31 1HB CYS 5 HB2 CYS 5 -1.191 4.111 9.405
32 2HB CYS 5 HB1 CYS 5 -2.092 4.384 7.918
33 H LEU 6 HN LEU 6 -2.434 8.362 9.531
34 HA LEU 6 HA LEU 6 -4.025 7.135 11.693
35 1HB LEU 6 HB2 LEU 6 -2.498 9.107 12.099
36 2HB LEU 6 HB1 LEU 6 -3.591 10.076 11.131
37 HG LEU 6 HG LEU 6 -4.574 8.568 13.561
38 1HD1 LEU 6 HD11 LEU 6 -2.689 9.951 14.272
39 2HD1 LEU 6 HD12 LEU 6 -4.218 10.583 14.880
40 3HD1 LEU 6 HD13 LEU 6 -3.427 11.360 13.505
41 1HD2 LEU 6 HD21 LEU 6 -6.190 10.528 13.563
42 2HD2 LEU 6 HD22 LEU 6 -6.362 9.380 12.249
43 3HD2 LEU 6 HD23 LEU 6 -5.565 10.927 11.962
44 H ASP 7 HN ASP 7 -4.369 9.530 9.061
45 HA ASP 7 HA ASP 7 -7.017 8.389 8.478
46 1HB ASP 7 HB2 ASP 7 -7.488 10.307 9.920
47 2HB ASP 7 HB1 ASP 7 -6.527 11.352 8.877
48 H LEU 8 HN LEU 8 -6.202 7.491 6.610
49 HA LEU 8 HA LEU 8 -5.678 9.451 4.496
50 1HB LEU 8 HB2 LEU 8 -4.246 6.847 4.860
51 2HB LEU 8 HB1 LEU 8 -4.236 7.756 3.362
52 HG LEU 8 HG LEU 8 -3.346 9.711 4.902
53 1HD1 LEU 8 HD11 LEU 8 -1.807 8.792 6.632
54 2HD1 LEU 8 HD12 LEU 8 -2.604 7.233 6.426
55 3HD1 LEU 8 HD13 LEU 8 -3.511 8.610 7.020
56 1HD2 LEU 8 HD21 LEU 8 -1.620 7.409 4.001
57 2HD2 LEU 8 HD22 LEU 8 -1.080 9.057 4.330
58 3HD2 LEU 8 HD23 LEU 8 -2.181 8.742 2.990
59 H ALA 9 HN ALA 9 -8.084 8.117 5.447
60 HA ALA 9 HA ALA 9 -8.873 5.955 3.890
61 1HB ALA 9 HB1 ALA 9 -10.592 8.184 4.977
62 2HB ALA 9 HB2 ALA 9 -10.083 6.744 5.857
63 3HB ALA 9 HB3 ALA 9 -11.153 6.591 4.464
64 H CYS 10 HN CYS 10 -8.024 6.360 1.809
65 HA CYS 10 HA CYS 10 -8.002 7.031 -0.326
66 1HB CYS 10 HB2 CYS 10 -10.914 7.421 0.326
67 2HB CYS 10 HB1 CYS 10 -10.294 7.930 -1.239
68 H THR 11 HN THR 11 -6.745 8.654 1.256
69 HA THR 11 HA THR 11 -7.517 11.402 0.649
70 HB THR 11 HB THR 11 -5.171 11.895 1.557
71 HG1 THR 11 HG1 THR 11 -4.006 10.232 2.373
72 1HG2 THR 11 HG21 THR 11 -7.117 12.110 2.976
73 2HG2 THR 11 HG22 THR 11 -5.774 11.428 3.885
74 3HG2 THR 11 HG23 THR 11 -7.090 10.385 3.333
75 H GLY 12 HN GLY 12 -5.582 8.809 -0.610
76 1HA GLY 12 HA2 GLY 12 -5.469 9.345 -3.174
77 2HA GLY 12 HA1 GLY 12 -4.278 10.507 -2.599
78 H SER 13 HN SER 13 -4.292 7.766 -4.124
79 HA SER 13 HA SER 13 -2.794 5.955 -2.573
80 1HB SER 13 HB2 SER 13 -2.700 6.314 -5.582
81 2HB SER 13 HB1 SER 13 -2.265 4.865 -4.670
82 HG SER 13 HG SER 13 -4.791 5.926 -5.232
83 H LYS 14 HN LYS 14 -1.815 8.644 -4.671
84 HA LYS 14 HA LYS 14 0.955 8.216 -4.485
85 1HB LYS 14 HB2 LYS 14 -0.604 10.722 -5.010
86 2HB LYS 14 HB1 LYS 14 1.149 10.615 -5.160
87 1HG LYS 14 HG2 LYS 14 0.882 8.898 -6.885
88 2HG LYS 14 HG1 LYS 14 -0.868 9.049 -6.760
89 1HD LYS 14 HD2 LYS 14 -0.789 11.316 -7.522
90 2HD LYS 14 HD1 LYS 14 0.975 11.336 -7.455
91 1HE LYS 14 HE2 LYS 14 0.220 11.090 -9.742
92 2HE LYS 14 HE1 LYS 14 1.056 9.631 -9.215
93 1HZ LYS 14 HZ1 LYS 14 -1.045 8.536 -8.917
94 2HZ LYS 14 HZ2 LYS 14 -0.985 9.184 -10.475
95 3HZ LYS 14 HZ3 LYS 14 -1.900 9.953 -9.280
96 H ASP 15 HN ASP 15 -1.333 9.675 -2.369
97 HA ASP 15 HA ASP 15 0.648 10.881 -0.640
98 1HB ASP 15 HB2 ASP 15 -2.334 10.437 -0.359
99 2HB ASP 15 HB1 ASP 15 -1.351 11.219 0.870
100 H CYS 16 HN CYS 16 -1.002 7.866 -0.993
101 HA CYS 16 HA CYS 16 -0.416 6.912 1.662
102 1HB CYS 16 HB2 CYS 16 -2.459 6.279 0.397
103 2HB CYS 16 HB1 CYS 16 -1.454 5.428 -0.766
104 H TYR 17 HN TYR 17 1.185 6.973 -1.410
105 HA TYR 17 HA TYR 17 2.731 4.695 -1.418
106 1HB TYR 17 HB2 TYR 17 3.438 7.515 -2.240
107 2HB TYR 17 HB1 TYR 17 4.520 6.158 -2.533
108 HD1 TYR 17 HD1 TYR 17 3.558 7.899 -4.697
109 HD2 TYR 17 HD2 TYR 17 1.839 4.354 -3.072
110 HE1 TYR 17 HE1 TYR 17 2.438 7.450 -6.832
111 HE2 TYR 17 HE2 TYR 17 0.721 3.911 -5.187
112 HH TYR 17 HH TYR 17 1.447 4.898 -7.901
113 H ALA 18 HN ALA 18 3.592 7.758 0.183
114 HA ALA 18 HA ALA 18 6.083 6.925 1.097
115 1HB ALA 18 HB1 ALA 18 5.383 8.765 2.996
116 2HB ALA 18 HB2 ALA 18 4.296 9.171 1.669
117 3HB ALA 18 HB3 ALA 18 6.032 9.121 1.400
118 HA PRO 19 HA PRO 19 4.121 5.734 5.435
119 1HB PRO 19 HB2 PRO 19 1.321 5.146 4.569
120 2HB PRO 19 HB1 PRO 19 1.943 5.874 6.054
121 1HG PRO 19 HG2 PRO 19 0.761 7.367 4.210
122 2HG PRO 19 HG1 PRO 19 2.158 7.963 5.129
123 1HD PRO 19 HD2 PRO 19 2.041 6.944 2.343
124 2HD PRO 19 HD1 PRO 19 2.957 8.274 3.008
125 H CYS 20 HN CYS 20 2.584 4.298 2.553
126 HA CYS 20 HA CYS 20 2.607 1.630 3.449
127 1HB CYS 20 HB2 CYS 20 1.293 2.419 1.516
128 2HB CYS 20 HB1 CYS 20 2.775 2.673 0.610
129 H ARG 21 HN ARG 21 4.943 3.446 1.472
130 HA ARG 21 HA ARG 21 6.802 1.360 1.107
131 1HB ARG 21 HB2 ARG 21 6.858 3.436 -0.198
132 2HB ARG 21 HB1 ARG 21 7.251 4.345 1.230
133 1HG ARG 21 HG2 ARG 21 9.379 3.094 1.397
134 2HG ARG 21 HG1 ARG 21 8.967 2.253 -0.098
135 1HD ARG 21 HD2 ARG 21 10.499 4.123 -0.481
136 2HD ARG 21 HD1 ARG 21 8.950 4.354 -1.297
137 HE ARG 21 HE ARG 21 9.073 5.577 1.310
138 1HH1 ARG 21 HH11 ARG 21 9.945 6.050 -2.066
139 2HH1 ARG 21 HH12 ARG 21 9.802 7.765 -1.970
140 1HH2 ARG 21 HH21 ARG 21 8.893 7.841 1.406
141 2HH2 ARG 21 HH22 ARG 21 9.213 8.788 -0.009
142 H LYS 22 HN LYS 22 6.487 3.840 3.613
143 HA LYS 22 HA LYS 22 8.880 3.293 4.971
144 1HB LYS 22 HB2 LYS 22 7.377 5.302 5.231
145 2HB LYS 22 HB1 LYS 22 6.308 4.304 6.209
146 1HG LYS 22 HG2 LYS 22 8.132 3.943 7.809
147 2HG LYS 22 HG1 LYS 22 9.187 4.956 6.818
148 1HD LYS 22 HD2 LYS 22 7.552 6.828 7.126
149 2HD LYS 22 HD1 LYS 22 6.664 5.794 8.249
150 1HE LYS 22 HE2 LYS 22 9.515 6.735 8.544
151 2HE LYS 22 HE1 LYS 22 8.121 7.318 9.451
152 1HZ LYS 22 HZ1 LYS 22 9.279 5.771 10.792
153 2HZ LYS 22 HZ2 LYS 22 9.329 4.613 9.565
154 3HZ LYS 22 HZ3 LYS 22 7.854 5.007 10.298
155 H GLN 23 HN GLN 23 5.675 1.830 5.196
156 HA GLN 23 HA GLN 23 6.340 0.254 7.520
157 1HB GLN 23 HB2 GLN 23 4.055 0.875 7.243
158 2HB GLN 23 HB1 GLN 23 3.998 0.216 5.617
159 1HG GLN 23 HG2 GLN 23 4.276 -2.040 6.523
160 2HG GLN 23 HG1 GLN 23 4.349 -1.381 8.143
161 1HE2 GLN 23 HE21 GLN 23 2.566 -2.649 8.762
162 2HE2 GLN 23 HE22 GLN 23 0.968 -2.236 8.253
163 H THR 24 HN THR 24 5.638 -0.583 4.104
164 HA THR 24 HA THR 24 6.611 -3.287 4.635
165 HB THR 24 HB THR 24 5.609 -3.819 2.447
166 HG1 THR 24 HG1 THR 24 4.465 -2.139 1.343
167 1HG2 THR 24 HG21 THR 24 3.772 -2.267 4.246
168 2HG2 THR 24 HG22 THR 24 4.218 -3.965 4.426
169 3HG2 THR 24 HG23 THR 24 3.279 -3.443 3.028
170 H GLY 25 HN GLY 25 7.410 -0.550 2.541
171 1HA GLY 25 HA2 GLY 25 9.618 -0.229 1.674
172 2HA GLY 25 HA1 GLY 25 9.862 -1.968 1.672
173 H CYS 26 HN CYS 26 6.891 -1.985 0.712
174 HA CYS 26 HA CYS 26 7.488 -1.572 -2.136
175 1HB CYS 26 HB2 CYS 26 5.620 -3.403 -2.342
176 2HB CYS 26 HB1 CYS 26 7.291 -3.838 -2.013
177 HA PRO 27 HA PRO 27 4.246 1.383 -0.994
178 1HB PRO 27 HB2 PRO 27 4.899 3.330 -2.697
179 2HB PRO 27 HB1 PRO 27 5.909 2.909 -1.341
180 1HG PRO 27 HG2 PRO 27 6.218 2.123 -4.194
181 2HG PRO 27 HG1 PRO 27 7.452 2.714 -3.067
182 1HD PRO 27 HD2 PRO 27 7.035 0.057 -3.657
183 2HD PRO 27 HD1 PRO 27 7.775 0.643 -2.154
184 H ASN 28 HN ASN 28 3.949 -0.779 -3.325
185 HA ASN 28 HA ASN 28 2.199 0.646 -5.135
186 1HB ASN 28 HB2 ASN 28 2.969 -2.252 -4.842
187 2HB ASN 28 HB1 ASN 28 1.663 -1.756 -5.916
188 1HD2 ASN 28 HD21 ASN 28 2.140 -0.581 -7.775
189 2HD2 ASN 28 HD22 ASN 28 3.755 -0.451 -8.373
190 H ALA 29 HN ALA 29 0.478 1.465 -4.080
191 HA ALA 29 HA ALA 29 -1.273 -0.443 -2.664
192 1HB ALA 29 HB1 ALA 29 -1.612 1.005 -0.914
193 2HB ALA 29 HB2 ALA 29 -1.077 2.424 -1.820
194 3HB ALA 29 HB3 ALA 29 0.099 1.244 -1.246
195 H LYS 30 HN LYS 30 -3.483 0.026 -2.653
196 HA LYS 30 HA LYS 30 -4.438 2.002 -4.624
197 1HB LYS 30 HB2 LYS 30 -4.250 -0.156 -5.784
198 2HB LYS 30 HB1 LYS 30 -5.214 -0.927 -4.531
199 1HG LYS 30 HG2 LYS 30 -7.120 0.518 -5.168
200 2HG LYS 30 HG1 LYS 30 -6.130 1.197 -6.458
201 1HD LYS 30 HD2 LYS 30 -5.899 -1.042 -7.445
202 2HD LYS 30 HD1 LYS 30 -6.907 -1.707 -6.157
203 1HE LYS 30 HE2 LYS 30 -8.222 -1.383 -8.156
204 2HE LYS 30 HE1 LYS 30 -8.765 -0.272 -6.901
205 1HZ LYS 30 HZ1 LYS 30 -6.885 0.482 -9.079
206 2HZ LYS 30 HZ2 LYS 30 -7.634 1.515 -7.966
207 3HZ LYS 30 HZ3 LYS 30 -8.557 0.728 -9.139
208 H CYS 31 HN CYS 31 -6.271 3.044 -3.922
209 HA CYS 31 HA CYS 31 -7.139 2.382 -1.249
210 1HB CYS 31 HB2 CYS 31 -6.808 4.755 -2.177
211 2HB CYS 31 HB1 CYS 31 -8.391 4.547 -2.921
212 H ILE 32 HN ILE 32 -8.572 0.884 -0.910
213 HA ILE 32 HA ILE 32 -11.032 0.766 -2.516
214 HB ILE 32 HB ILE 32 -10.863 -1.755 -2.478
215 1HG1 ILE 32 HG12 ILE 32 -7.964 -1.173 -1.798
216 2HG1 ILE 32 HG11 ILE 32 -9.134 -1.918 -0.715
217 1HG2 ILE 32 HG21 ILE 32 -8.719 -0.372 -4.079
218 2HG2 ILE 32 HG22 ILE 32 -10.426 -0.434 -4.508
219 3HG2 ILE 32 HG23 ILE 32 -9.479 -1.916 -4.454
220 1HD1 ILE 32 HD11 ILE 32 -7.512 -3.092 -2.775
221 2HD1 ILE 32 HD12 ILE 32 -9.213 -3.505 -2.986
222 3HD1 ILE 32 HD13 ILE 32 -8.410 -3.849 -1.460
223 H ASN 33 HN ASN 33 -12.771 -0.279 -1.376
224 HA ASN 33 HA ASN 33 -14.053 -0.636 0.468
225 1HB ASN 33 HB2 ASN 33 -11.469 -1.618 1.726
226 2HB ASN 33 HB1 ASN 33 -13.098 -1.962 2.288
227 1HD2 ASN 33 HD21 ASN 33 -10.870 -3.713 1.353
228 2HD2 ASN 33 HD22 ASN 33 -11.588 -4.687 0.120
229 H LYS 34 HN LYS 34 -12.865 1.964 0.100
230 HA LYS 34 HA LYS 34 -12.884 3.956 1.132
231 1HB LYS 34 HB2 LYS 34 -13.889 2.283 3.424
232 2HB LYS 34 HB1 LYS 34 -13.437 3.941 3.694
233 1HG LYS 34 HG2 LYS 34 -15.790 3.764 3.341
234 2HG LYS 34 HG1 LYS 34 -15.028 4.677 2.037
235 1HD LYS 34 HD2 LYS 34 -15.113 2.679 0.607
236 2HD LYS 34 HD1 LYS 34 -15.886 1.782 1.918
237 1HE LYS 34 HE2 LYS 34 -17.491 2.591 0.246
238 2HE LYS 34 HE1 LYS 34 -17.787 3.283 1.840
239 1HZ LYS 34 HZ1 LYS 34 -16.198 4.706 -0.226
240 2HZ LYS 34 HZ2 LYS 34 -16.908 5.337 1.177
241 3HZ LYS 34 HZ3 LYS 34 -17.880 4.849 -0.112
242 H SER 35 HN SER 35 -10.606 1.650 1.673
243 HA SER 35 HA SER 35 -8.930 3.507 3.224
244 1HB SER 35 HB2 SER 35 -9.891 1.649 4.634
245 2HB SER 35 HB1 SER 35 -9.004 0.504 3.630
246 HG SER 35 HG SER 35 -7.110 1.296 4.394
247 H CYS 36 HN CYS 36 -6.614 3.025 3.022
248 HA CYS 36 HA CYS 36 -5.980 2.334 0.254
249 1HB CYS 36 HB2 CYS 36 -5.005 4.361 1.195
250 2HB CYS 36 HB1 CYS 36 -4.236 3.416 2.467
251 H LYS 37 HN LYS 37 -5.512 0.263 -0.240
252 HA LYS 37 HA LYS 37 -4.155 -1.338 1.841
253 1HB LYS 37 HB2 LYS 37 -6.416 -2.173 1.226
254 2HB LYS 37 HB1 LYS 37 -5.840 -2.403 -0.420
255 1HG LYS 37 HG2 LYS 37 -4.019 -3.893 0.609
256 2HG LYS 37 HG1 LYS 37 -4.948 -3.791 2.098
257 1HD LYS 37 HD2 LYS 37 -5.495 -5.821 0.933
258 2HD LYS 37 HD1 LYS 37 -6.892 -4.745 0.913
259 1HE LYS 37 HE2 LYS 37 -6.479 -4.170 -1.355
260 2HE LYS 37 HE1 LYS 37 -4.913 -4.917 -1.356
261 1HZ LYS 37 HZ1 LYS 37 -6.526 -6.283 -2.492
262 2HZ LYS 37 HZ2 LYS 37 -7.492 -6.360 -1.107
263 3HZ LYS 37 HZ3 LYS 37 -5.953 -7.067 -1.107
264 H CYS 38 HN CYS 38 -2.157 -1.848 1.428
265 HA CYS 38 HA CYS 38 -0.982 -1.493 -1.194
266 1HB CYS 38 HB2 CYS 38 0.242 -2.642 1.317
267 2HB CYS 38 HB1 CYS 38 1.094 -2.083 -0.120
268 H TYR 39 HN TYR 39 -0.105 -3.193 -2.452
269 HA TYR 39 HA TYR 39 -1.504 -5.729 -2.178
270 1HB TYR 39 HB2 TYR 39 0.644 -4.832 -4.119
271 2HB TYR 39 HB1 TYR 39 -0.178 -6.387 -4.189
272 HD1 TYR 39 HD1 TYR 39 -0.353 -2.888 -5.046
273 HD2 TYR 39 HD2 TYR 39 -2.648 -6.453 -4.643
274 HE1 TYR 39 HE1 TYR 39 -2.117 -1.903 -6.436
275 HE2 TYR 39 HE2 TYR 39 -4.419 -5.475 -6.033
276 HH TYR 39 HH TYR 39 -4.189 -3.270 -8.024
277 H GLY 40 HN GLY 40 1.510 -4.296 -1.316
278 1HA GLY 40 HA2 GLY 40 3.037 -5.045 0.182
279 2HA GLY 40 HA1 GLY 40 2.181 -6.575 0.287
280 H CYS 41 HN CYS 41 4.674 -6.931 0.385
281 HA CYS 41 HA CYS 41 5.410 -7.963 -2.268
282 1HB CYS 41 HB2 CYS 41 7.842 -7.370 -1.532
283 2HB CYS 41 HB1 CYS 41 6.817 -6.118 -2.219
Start of MODEL 8
1 1H TRP 1 HT1 TRP 1 2.667 2.959 13.993
2 2H TRP 1 HT2 TRP 1 2.689 3.822 15.479
3 3H TRP 1 HT3 TRP 1 2.913 2.125 15.470
4 HA TRP 1 HA TRP 1 4.952 3.219 15.828
5 1HB TRP 1 HB2 TRP 1 4.916 1.117 14.530
6 2HB TRP 1 HB1 TRP 1 4.753 2.042 13.041
7 HD1 TRP 1 HD1 TRP 1 6.992 2.015 11.808
8 HE1 TRP 1 HE1 TRP 1 9.473 2.203 12.461
9 HE3 TRP 1 HE3 TRP 1 6.490 2.311 16.891
10 HZ2 TRP 1 HZ2 TRP 1 11.012 2.455 14.806
11 HZ3 TRP 1 HZ3 TRP 1 8.511 2.531 18.262
12 HH2 TRP 1 HH2 TRP 1 10.729 2.602 17.242
13 H CYS 2 HN CYS 2 3.803 3.984 12.541
14 HA CYS 2 HA CYS 2 5.308 6.508 12.588
15 1HB CYS 2 HB2 CYS 2 5.466 5.300 10.529
16 2HB CYS 2 HB1 CYS 2 3.741 5.092 10.465
17 H SER 3 HN SER 3 4.347 8.329 13.201
18 HA SER 3 HA SER 3 1.831 8.310 14.401
19 1HB SER 3 HB2 SER 3 3.729 9.840 14.954
20 2HB SER 3 HB1 SER 3 3.372 10.760 13.494
21 HG SER 3 HG SER 3 1.449 11.389 14.365
22 H THR 4 HN THR 4 2.791 9.365 11.166
23 HA THR 4 HA THR 4 0.097 10.336 10.585
24 HB THR 4 HB THR 4 2.392 10.013 8.618
25 HG1 THR 4 HG1 THR 4 3.159 11.951 9.276
26 1HG2 THR 4 HG21 THR 4 0.190 10.470 7.647
27 2HG2 THR 4 HG22 THR 4 1.266 11.854 7.466
28 3HG2 THR 4 HG23 THR 4 0.009 11.873 8.701
29 H CYS 5 HN CYS 5 1.997 7.494 10.262
30 HA CYS 5 HA CYS 5 0.302 6.337 8.194
31 1HB CYS 5 HB2 CYS 5 2.629 4.908 9.412
32 2HB CYS 5 HB1 CYS 5 1.995 4.841 7.799
33 H LEU 6 HN LEU 6 -1.431 6.458 10.023
34 HA LEU 6 HA LEU 6 -1.335 3.938 11.580
35 1HB LEU 6 HB2 LEU 6 -2.910 6.462 12.079
36 2HB LEU 6 HB1 LEU 6 -3.080 4.981 13.008
37 HG LEU 6 HG LEU 6 -0.567 6.660 12.841
38 1HD1 LEU 6 HD11 LEU 6 -1.071 7.262 15.150
39 2HD1 LEU 6 HD12 LEU 6 -2.574 6.339 15.075
40 3HD1 LEU 6 HD13 LEU 6 -2.366 7.774 14.069
41 1HD2 LEU 6 HD21 LEU 6 -0.033 4.327 13.191
42 2HD2 LEU 6 HD22 LEU 6 -1.240 4.206 14.471
43 3HD2 LEU 6 HD23 LEU 6 0.193 5.208 14.697
44 H ASP 7 HN ASP 7 -3.803 6.103 10.193
45 HA ASP 7 HA ASP 7 -4.995 3.744 8.875
46 1HB ASP 7 HB2 ASP 7 -6.359 4.256 10.843
47 2HB ASP 7 HB1 ASP 7 -6.522 5.927 10.316
48 H LEU 8 HN LEU 8 -4.834 4.081 6.774
49 HA LEU 8 HA LEU 8 -4.880 6.870 5.783
50 1HB LEU 8 HB2 LEU 8 -3.558 4.435 4.598
51 2HB LEU 8 HB1 LEU 8 -3.447 6.068 3.984
52 HG LEU 8 HG LEU 8 -2.382 5.172 6.658
53 1HD1 LEU 8 HD11 LEU 8 -1.200 4.158 4.742
54 2HD1 LEU 8 HD12 LEU 8 -0.210 5.282 5.664
55 3HD1 LEU 8 HD13 LEU 8 -0.884 5.778 4.111
56 1HD2 LEU 8 HD21 LEU 8 -1.242 7.339 6.656
57 2HD2 LEU 8 HD22 LEU 8 -2.990 7.538 6.611
58 3HD2 LEU 8 HD23 LEU 8 -2.039 7.762 5.142
59 H ALA 9 HN ALA 9 -7.204 5.088 6.189
60 HA ALA 9 HA ALA 9 -8.150 3.794 3.987
61 1HB ALA 9 HB1 ALA 9 -10.385 4.189 4.837
62 2HB ALA 9 HB2 ALA 9 -9.778 5.495 5.859
63 3HB ALA 9 HB3 ALA 9 -9.265 3.834 6.151
64 H CYS 10 HN CYS 10 -7.405 4.885 2.128
65 HA CYS 10 HA CYS 10 -7.521 6.209 0.332
66 1HB CYS 10 HB2 CYS 10 -10.363 6.291 1.281
67 2HB CYS 10 HB1 CYS 10 -9.867 7.214 -0.131
68 H THR 11 HN THR 11 -6.149 7.382 2.149
69 HA THR 11 HA THR 11 -7.057 10.149 2.489
70 HB THR 11 HB THR 11 -5.649 9.151 4.270
71 HG1 THR 11 HG1 THR 11 -4.202 11.181 2.861
72 1HG2 THR 11 HG21 THR 11 -3.725 8.685 2.021
73 2HG2 THR 11 HG22 THR 11 -4.283 7.610 3.284
74 3HG2 THR 11 HG23 THR 11 -3.165 8.899 3.670
75 H GLY 12 HN GLY 12 -6.595 8.586 -0.121
76 1HA GLY 12 HA2 GLY 12 -6.114 9.460 -2.234
77 2HA GLY 12 HA1 GLY 12 -4.911 10.523 -1.513
78 H SER 13 HN SER 13 -5.083 7.947 -3.457
79 HA SER 13 HA SER 13 -3.458 6.003 -2.273
80 1HB SER 13 HB2 SER 13 -2.990 5.221 -4.556
81 2HB SER 13 HB1 SER 13 -4.696 5.617 -4.362
82 HG SER 13 HG SER 13 -2.694 7.079 -5.719
83 H LYS 14 HN LYS 14 -2.662 8.992 -3.939
84 HA LYS 14 HA LYS 14 0.123 8.702 -4.134
85 1HB LYS 14 HB2 LYS 14 -1.646 11.102 -3.788
86 2HB LYS 14 HB1 LYS 14 0.079 11.245 -4.039
87 1HG LYS 14 HG2 LYS 14 -1.739 9.774 -5.945
88 2HG LYS 14 HG1 LYS 14 -1.433 11.506 -6.066
89 1HD LYS 14 HD2 LYS 14 0.723 9.384 -6.103
90 2HD LYS 14 HD1 LYS 14 0.011 10.119 -7.539
91 1HE LYS 14 HE2 LYS 14 0.756 12.328 -6.775
92 2HE LYS 14 HE1 LYS 14 1.495 11.589 -5.358
93 1HZ LYS 14 HZ1 LYS 14 2.960 10.342 -6.803
94 2HZ LYS 14 HZ2 LYS 14 3.115 12.006 -7.064
95 3HZ LYS 14 HZ3 LYS 14 2.258 11.057 -8.170
96 H ASP 15 HN ASP 15 -1.960 9.717 -1.507
97 HA ASP 15 HA ASP 15 0.225 10.478 0.216
98 1HB ASP 15 HB2 ASP 15 -2.185 11.431 0.153
99 2HB ASP 15 HB1 ASP 15 -2.634 10.012 1.075
100 H CYS 16 HN CYS 16 -1.491 7.604 -0.550
101 HA CYS 16 HA CYS 16 -0.835 6.240 1.925
102 1HB CYS 16 HB2 CYS 16 -2.166 5.215 -0.596
103 2HB CYS 16 HB1 CYS 16 -2.010 4.328 0.918
104 H TYR 17 HN TYR 17 0.458 6.560 -1.316
105 HA TYR 17 HA TYR 17 1.858 4.177 -1.575
106 1HB TYR 17 HB2 TYR 17 2.579 6.945 -2.556
107 2HB TYR 17 HB1 TYR 17 3.435 5.492 -3.061
108 HD1 TYR 17 HD1 TYR 17 1.911 7.544 -4.800
109 HD2 TYR 17 HD2 TYR 17 0.824 3.753 -3.180
110 HE1 TYR 17 HE1 TYR 17 0.308 7.209 -6.632
111 HE2 TYR 17 HE2 TYR 17 -0.747 3.424 -5.012
112 HH TYR 17 HH TYR 17 -2.123 5.201 -6.615
113 H ALA 18 HN ALA 18 3.144 7.244 -0.343
114 HA ALA 18 HA ALA 18 5.701 6.329 0.201
115 1HB ALA 18 HB1 ALA 18 5.404 8.305 2.071
116 2HB ALA 18 HB2 ALA 18 4.128 8.691 0.917
117 3HB ALA 18 HB3 ALA 18 5.791 8.538 0.370
118 HA PRO 19 HA PRO 19 4.437 5.455 4.845
119 1HB PRO 19 HB2 PRO 19 1.526 5.001 4.506
120 2HB PRO 19 HB1 PRO 19 2.383 5.764 5.821
121 1HG PRO 19 HG2 PRO 19 0.999 7.219 4.104
122 2HG PRO 19 HG1 PRO 19 2.572 7.792 4.694
123 1HD PRO 19 HD2 PRO 19 1.887 6.525 2.088
124 2HD PRO 19 HD1 PRO 19 2.942 7.883 2.428
125 H CYS 20 HN CYS 20 2.524 3.930 2.240
126 HA CYS 20 HA CYS 20 2.513 1.323 3.335
127 1HB CYS 20 HB2 CYS 20 1.076 1.978 1.444
128 2HB CYS 20 HB1 CYS 20 2.494 2.163 0.423
129 H ARG 21 HN ARG 21 4.798 3.016 1.197
130 HA ARG 21 HA ARG 21 6.633 0.857 0.932
131 1HB ARG 21 HB2 ARG 21 6.746 2.675 -0.624
132 2HB ARG 21 HB1 ARG 21 6.977 3.846 0.661
133 1HG ARG 21 HG2 ARG 21 9.156 2.690 1.175
134 2HG ARG 21 HG1 ARG 21 8.895 1.727 -0.278
135 1HD ARG 21 HD2 ARG 21 8.923 4.726 -0.273
136 2HD ARG 21 HD1 ARG 21 10.386 3.767 -0.462
137 HE ARG 21 HE ARG 21 8.887 2.732 -2.402
138 1HH1 ARG 21 HH11 ARG 21 9.410 6.105 -1.532
139 2HH1 ARG 21 HH12 ARG 21 9.283 6.649 -3.158
140 1HH2 ARG 21 HH21 ARG 21 8.744 3.493 -4.544
141 2HH2 ARG 21 HH22 ARG 21 8.895 5.184 -4.868
142 H LYS 22 HN LYS 22 6.380 3.589 3.156
143 HA LYS 22 HA LYS 22 8.773 3.266 4.535
144 1HB LYS 22 HB2 LYS 22 7.179 5.191 4.698
145 2HB LYS 22 HB1 LYS 22 6.127 4.189 5.688
146 1HG LYS 22 HG2 LYS 22 8.032 3.976 7.318
147 2HG LYS 22 HG1 LYS 22 8.902 5.160 6.337
148 1HD LYS 22 HD2 LYS 22 6.990 6.738 6.680
149 2HD LYS 22 HD1 LYS 22 6.276 5.553 7.778
150 1HE LYS 22 HE2 LYS 22 7.409 7.123 9.131
151 2HE LYS 22 HE1 LYS 22 8.425 5.682 9.115
152 1HZ LYS 22 HZ1 LYS 22 8.834 8.081 7.399
153 2HZ LYS 22 HZ2 LYS 22 9.841 6.721 7.478
154 3HZ LYS 22 HZ3 LYS 22 9.688 7.737 8.818
155 H GLN 23 HN GLN 23 5.622 1.733 5.054
156 HA GLN 23 HA GLN 23 6.545 0.348 7.420
157 1HB GLN 23 HB2 GLN 23 3.974 0.812 6.055
158 2HB GLN 23 HB1 GLN 23 4.116 -0.782 6.772
159 1HG GLN 23 HG2 GLN 23 3.075 0.977 8.206
160 2HG GLN 23 HG1 GLN 23 4.410 0.085 8.930
161 1HE2 GLN 23 HE21 GLN 23 6.316 1.161 9.421
162 2HE2 GLN 23 HE22 GLN 23 6.447 2.882 9.347
163 H THR 24 HN THR 24 5.417 -0.762 4.193
164 HA THR 24 HA THR 24 6.289 -3.454 4.888
165 HB THR 24 HB THR 24 5.298 -4.149 2.767
166 HG1 THR 24 HG1 THR 24 4.651 -2.709 1.249
167 1HG2 THR 24 HG21 THR 24 3.536 -2.155 4.193
168 2HG2 THR 24 HG22 THR 24 3.791 -3.835 4.668
169 3HG2 THR 24 HG23 THR 24 2.992 -3.462 3.142
170 H GLY 25 HN GLY 25 7.285 -0.870 2.703
171 1HA GLY 25 HA2 GLY 25 9.698 -0.829 2.139
172 2HA GLY 25 HA1 GLY 25 9.567 -2.551 1.817
173 H CYS 26 HN CYS 26 6.748 -1.943 0.746
174 HA CYS 26 HA CYS 26 7.619 -0.955 -1.880
175 1HB CYS 26 HB2 CYS 26 5.678 -3.158 -1.220
176 2HB CYS 26 HB1 CYS 26 5.864 -2.475 -2.813
177 HA PRO 27 HA PRO 27 4.368 1.999 -1.190
178 1HB PRO 27 HB2 PRO 27 4.594 3.400 -3.441
179 2HB PRO 27 HB1 PRO 27 5.937 3.317 -2.308
180 1HG PRO 27 HG2 PRO 27 5.522 1.780 -4.838
181 2HG PRO 27 HG1 PRO 27 6.981 2.582 -4.248
182 1HD PRO 27 HD2 PRO 27 6.464 -0.116 -3.977
183 2HD PRO 27 HD1 PRO 27 7.575 0.812 -2.949
184 H ASN 28 HN ASN 28 3.743 -0.710 -2.676
185 HA ASN 28 HA ASN 28 1.802 0.038 -4.643
186 1HB ASN 28 HB2 ASN 28 2.439 -2.636 -3.378
187 2HB ASN 28 HB1 ASN 28 1.331 -2.404 -4.727
188 1HD2 ASN 28 HD21 ASN 28 2.147 -1.809 -6.745
189 2HD2 ASN 28 HD22 ASN 28 3.819 -2.022 -7.122
190 H ALA 29 HN ALA 29 0.449 1.406 -3.327
191 HA ALA 29 HA ALA 29 -1.484 -0.154 -1.737
192 1HB ALA 29 HB1 ALA 29 -1.742 1.569 -0.193
193 2HB ALA 29 HB2 ALA 29 -0.900 2.740 -1.210
194 3HB ALA 29 HB3 ALA 29 -0.012 1.453 -0.432
195 H LYS 30 HN LYS 30 -3.615 0.129 -2.222
196 HA LYS 30 HA LYS 30 -4.256 2.173 -4.262
197 1HB LYS 30 HB2 LYS 30 -5.256 -0.665 -4.058
198 2HB LYS 30 HB1 LYS 30 -5.948 0.533 -5.135
199 1HG LYS 30 HG2 LYS 30 -3.088 -0.381 -5.187
200 2HG LYS 30 HG1 LYS 30 -4.352 -1.022 -6.237
201 1HD LYS 30 HD2 LYS 30 -3.459 1.873 -6.121
202 2HD LYS 30 HD1 LYS 30 -2.923 0.694 -7.310
203 1HE LYS 30 HE2 LYS 30 -5.267 0.381 -8.026
204 2HE LYS 30 HE1 LYS 30 -5.752 1.644 -6.895
205 1HZ LYS 30 HZ1 LYS 30 -4.365 3.208 -8.094
206 2HZ LYS 30 HZ2 LYS 30 -5.507 2.502 -9.121
207 3HZ LYS 30 HZ3 LYS 30 -3.895 1.995 -9.180
208 H CYS 31 HN CYS 31 -6.224 3.151 -4.173
209 HA CYS 31 HA CYS 31 -7.573 3.062 -1.561
210 1HB CYS 31 HB2 CYS 31 -7.019 5.272 -2.177
211 2HB CYS 31 HB1 CYS 31 -7.526 5.036 -3.843
212 H ILE 32 HN ILE 32 -8.674 1.112 -1.843
213 HA ILE 32 HA ILE 32 -10.845 1.169 -3.861
214 HB ILE 32 HB ILE 32 -10.843 -1.330 -3.669
215 1HG1 ILE 32 HG12 ILE 32 -8.148 -0.909 -2.342
216 2HG1 ILE 32 HG11 ILE 32 -9.598 -1.422 -1.491
217 1HG2 ILE 32 HG21 ILE 32 -9.823 -0.159 -5.559
218 2HG2 ILE 32 HG22 ILE 32 -8.974 -1.654 -5.183
219 3HG2 ILE 32 HG23 ILE 32 -8.286 -0.104 -4.696
220 1HD1 ILE 32 HD11 ILE 32 -8.012 -2.913 -3.530
221 2HD1 ILE 32 HD12 ILE 32 -9.663 -3.377 -3.110
222 3HD1 ILE 32 HD13 ILE 32 -8.410 -3.367 -1.877
223 H ASN 33 HN ASN 33 -12.876 0.634 -3.213
224 HA ASN 33 HA ASN 33 -14.625 0.940 -1.821
225 1HB ASN 33 HB2 ASN 33 -14.939 -0.846 -0.133
226 2HB ASN 33 HB1 ASN 33 -14.437 -1.455 -1.700
227 1HD2 ASN 33 HD21 ASN 33 -13.440 -0.899 1.615
228 2HD2 ASN 33 HD22 ASN 33 -12.080 -1.962 1.563
229 H LYS 34 HN LYS 34 -12.644 2.813 -1.288
230 HA LYS 34 HA LYS 34 -11.998 4.354 0.170
231 1HB LYS 34 HB2 LYS 34 -14.487 4.364 0.605
232 2HB LYS 34 HB1 LYS 34 -14.129 3.453 2.068
233 1HG LYS 34 HG2 LYS 34 -12.708 5.279 2.865
234 2HG LYS 34 HG1 LYS 34 -13.018 6.171 1.378
235 1HD LYS 34 HD2 LYS 34 -14.451 7.072 3.032
236 2HD LYS 34 HD1 LYS 34 -15.463 6.115 1.951
237 1HE LYS 34 HE2 LYS 34 -15.420 4.268 3.561
238 2HE LYS 34 HE1 LYS 34 -14.397 5.226 4.634
239 1HZ LYS 34 HZ1 LYS 34 -16.708 5.316 5.297
240 2HZ LYS 34 HZ2 LYS 34 -17.158 5.928 3.788
241 3HZ LYS 34 HZ3 LYS 34 -16.179 6.849 4.819
242 H SER 35 HN SER 35 -10.457 2.187 0.201
243 HA SER 35 HA SER 35 -9.393 2.237 2.902
244 1HB SER 35 HB2 SER 35 -10.900 0.281 2.934
245 2HB SER 35 HB1 SER 35 -10.092 -0.375 1.513
246 HG SER 35 HG SER 35 -9.228 -1.343 3.330
247 H CYS 36 HN CYS 36 -7.256 2.601 2.688
248 HA CYS 36 HA CYS 36 -5.957 2.070 0.139
249 1HB CYS 36 HB2 CYS 36 -5.227 3.649 2.540
250 2HB CYS 36 HB1 CYS 36 -3.921 3.015 1.563
251 H LYS 37 HN LYS 37 -5.593 -0.063 -0.084
252 HA LYS 37 HA LYS 37 -4.148 -1.390 2.126
253 1HB LYS 37 HB2 LYS 37 -5.081 -3.490 1.377
254 2HB LYS 37 HB1 LYS 37 -6.327 -2.356 1.782
255 1HG LYS 37 HG2 LYS 37 -7.179 -3.290 -0.113
256 2HG LYS 37 HG1 LYS 37 -6.448 -1.819 -0.737
257 1HD LYS 37 HD2 LYS 37 -6.015 -3.827 -2.122
258 2HD LYS 37 HD1 LYS 37 -4.542 -3.075 -1.561
259 1HE LYS 37 HE2 LYS 37 -4.443 -5.494 -1.382
260 2HE LYS 37 HE1 LYS 37 -4.344 -4.771 0.208
261 1HZ LYS 37 HZ1 LYS 37 -6.640 -5.320 0.592
262 2HZ LYS 37 HZ2 LYS 37 -5.833 -6.709 0.074
263 3HZ LYS 37 HZ3 LYS 37 -6.832 -5.869 -0.999
264 H CYS 38 HN CYS 38 -2.502 -2.845 1.581
265 HA CYS 38 HA CYS 38 -1.098 -2.005 -0.850
266 1HB CYS 38 HB2 CYS 38 -0.072 -3.122 1.752
267 2HB CYS 38 HB1 CYS 38 0.945 -2.727 0.373
268 H TYR 39 HN TYR 39 0.150 -3.514 -2.039
269 HA TYR 39 HA TYR 39 -1.132 -6.125 -2.256
270 1HB TYR 39 HB2 TYR 39 1.017 -4.738 -3.866
271 2HB TYR 39 HB1 TYR 39 0.464 -6.374 -4.211
272 HD1 TYR 39 HD1 TYR 39 -1.526 -6.755 -5.428
273 HD2 TYR 39 HD2 TYR 39 -0.631 -2.830 -4.063
274 HE1 TYR 39 HE1 TYR 39 -3.343 -5.860 -6.811
275 HE2 TYR 39 HE2 TYR 39 -2.420 -1.949 -5.446
276 HH TYR 39 HH TYR 39 -3.675 -3.050 -7.833
277 H GLY 40 HN GLY 40 1.129 -4.998 -0.220
278 1HA GLY 40 HA2 GLY 40 2.426 -6.223 1.214
279 2HA GLY 40 HA1 GLY 40 2.323 -7.612 0.142
280 H CYS 41 HN CYS 41 4.710 -7.260 1.076
281 HA CYS 41 HA CYS 41 6.233 -6.498 -1.265
282 1HB CYS 41 HB2 CYS 41 5.986 -4.384 0.120
283 2HB CYS 41 HB1 CYS 41 6.895 -5.172 1.380
Start of MODEL 9
1 1H TRP 1 HT1 TRP 1 4.322 2.421 8.358
2 2H TRP 1 HT2 TRP 1 5.372 1.157 8.789
3 3H TRP 1 HT3 TRP 1 4.821 2.241 9.985
4 HA TRP 1 HA TRP 1 3.159 0.388 8.446
5 1HB TRP 1 HB2 TRP 1 4.220 0.304 11.252
6 2HB TRP 1 HB1 TRP 1 2.830 -0.659 10.754
7 HD1 TRP 1 HD1 TRP 1 6.584 -0.243 9.857
8 HE1 TRP 1 HE1 TRP 1 7.439 -2.507 8.987
9 HE3 TRP 1 HE3 TRP 1 2.187 -2.858 9.908
10 HZ2 TRP 1 HZ2 TRP 1 6.397 -5.064 8.408
11 HZ3 TRP 1 HZ3 TRP 1 2.206 -5.209 9.182
12 HH2 TRP 1 HH2 TRP 1 4.269 -6.288 8.448
13 H CYS 2 HN CYS 2 1.364 1.476 7.988
14 HA CYS 2 HA CYS 2 0.374 3.436 9.876
15 1HB CYS 2 HB2 CYS 2 0.457 3.890 7.417
16 2HB CYS 2 HB1 CYS 2 -0.772 2.652 7.180
17 H SER 3 HN SER 3 -0.884 2.764 11.493
18 HA SER 3 HA SER 3 -2.377 0.284 11.291
19 1HB SER 3 HB2 SER 3 -1.194 0.894 13.368
20 2HB SER 3 HB1 SER 3 -2.229 2.309 13.543
21 HG SER 3 HG SER 3 -3.950 1.003 13.939
22 H THR 4 HN THR 4 -3.212 3.700 11.992
23 HA THR 4 HA THR 4 -5.627 3.406 10.395
24 HB THR 4 HB THR 4 -5.923 4.322 13.287
25 HG1 THR 4 HG1 THR 4 -6.502 1.747 12.154
26 1HG2 THR 4 HG21 THR 4 -7.818 3.803 11.003
27 2HG2 THR 4 HG22 THR 4 -7.732 5.189 12.093
28 3HG2 THR 4 HG23 THR 4 -8.351 3.651 12.676
29 H CYS 5 HN CYS 5 -3.347 4.852 9.974
30 HA CYS 5 HA CYS 5 -3.992 7.659 10.512
31 1HB CYS 5 HB2 CYS 5 -1.690 7.754 9.031
32 2HB CYS 5 HB1 CYS 5 -1.767 7.658 10.780
33 H LEU 6 HN LEU 6 -5.956 6.982 9.134
34 HA LEU 6 HA LEU 6 -5.448 6.772 6.294
35 1HB LEU 6 HB2 LEU 6 -8.048 6.913 7.826
36 2HB LEU 6 HB1 LEU 6 -7.878 6.495 6.127
37 HG LEU 6 HG LEU 6 -6.807 4.886 8.452
38 1HD1 LEU 6 HD11 LEU 6 -9.118 4.351 6.584
39 2HD1 LEU 6 HD12 LEU 6 -9.244 4.813 8.283
40 3HD1 LEU 6 HD13 LEU 6 -8.524 3.266 7.843
41 1HD2 LEU 6 HD21 LEU 6 -5.371 4.617 6.550
42 2HD2 LEU 6 HD22 LEU 6 -6.750 4.390 5.481
43 3HD2 LEU 6 HD23 LEU 6 -6.370 3.175 6.699
44 H ASP 7 HN ASP 7 -4.414 9.134 6.799
45 HA ASP 7 HA ASP 7 -6.410 11.233 6.406
46 1HB ASP 7 HB2 ASP 7 -3.393 11.289 6.588
47 2HB ASP 7 HB1 ASP 7 -4.353 12.713 6.195
48 H LEU 8 HN LEU 8 -4.706 8.997 4.596
49 HA LEU 8 HA LEU 8 -4.737 10.613 2.153
50 1HB LEU 8 HB2 LEU 8 -3.601 7.862 2.717
51 2HB LEU 8 HB1 LEU 8 -3.527 8.681 1.172
52 HG LEU 8 HG LEU 8 -1.397 8.925 2.132
53 1HD1 LEU 8 HD11 LEU 8 -1.104 11.269 2.251
54 2HD1 LEU 8 HD12 LEU 8 -2.777 11.526 2.747
55 3HD1 LEU 8 HD13 LEU 8 -2.417 10.970 1.117
56 1HD2 LEU 8 HD21 LEU 8 -2.159 8.392 4.482
57 2HD2 LEU 8 HD22 LEU 8 -2.564 10.101 4.648
58 3HD2 LEU 8 HD23 LEU 8 -0.905 9.617 4.324
59 H ALA 9 HN ALA 9 -7.111 9.590 3.587
60 HA ALA 9 HA ALA 9 -8.190 7.292 2.686
61 1HB ALA 9 HB1 ALA 9 -9.694 9.836 3.285
62 2HB ALA 9 HB2 ALA 9 -9.116 8.671 4.475
63 3HB ALA 9 HB3 ALA 9 -10.354 8.198 3.313
64 H CYS 10 HN CYS 10 -7.547 7.102 0.505
65 HA CYS 10 HA CYS 10 -7.818 7.081 -1.736
66 1HB CYS 10 HB2 CYS 10 -10.655 7.754 -0.938
67 2HB CYS 10 HB1 CYS 10 -10.171 7.271 -2.561
68 H THR 11 HN THR 11 -6.789 9.444 -0.605
69 HA THR 11 HA THR 11 -7.989 11.645 -2.093
70 HB THR 11 HB THR 11 -6.029 12.954 -1.168
71 HG1 THR 11 HG1 THR 11 -4.600 11.958 0.157
72 1HG2 THR 11 HG21 THR 11 -6.819 12.961 1.139
73 2HG2 THR 11 HG22 THR 11 -7.680 11.447 0.863
74 3HG2 THR 11 HG23 THR 11 -8.171 12.911 0.007
75 H GLY 12 HN GLY 12 -5.531 9.258 -2.440
76 1HA GLY 12 HA2 GLY 12 -5.255 9.527 -5.151
77 2HA GLY 12 HA1 GLY 12 -3.998 10.557 -4.470
78 H SER 13 HN SER 13 -4.258 7.726 -5.838
79 HA SER 13 HA SER 13 -3.173 5.849 -4.046
80 1HB SER 13 HB2 SER 13 -2.758 6.027 -7.046
81 2HB SER 13 HB1 SER 13 -2.514 4.596 -6.042
82 HG SER 13 HG SER 13 -4.910 5.852 -6.800
83 H LYS 14 HN LYS 14 -1.668 8.300 -6.102
84 HA LYS 14 HA LYS 14 1.005 7.565 -5.755
85 1HB LYS 14 HB2 LYS 14 1.585 9.685 -6.574
86 2HB LYS 14 HB1 LYS 14 0.081 9.257 -7.382
87 1HG LYS 14 HG2 LYS 14 -1.172 10.655 -5.845
88 2HG LYS 14 HG1 LYS 14 0.305 11.053 -4.968
89 1HD LYS 14 HD2 LYS 14 1.201 11.999 -7.125
90 2HD LYS 14 HD1 LYS 14 -0.433 11.818 -7.775
91 1HE LYS 14 HE2 LYS 14 0.429 13.485 -5.420
92 2HE LYS 14 HE1 LYS 14 -0.167 14.061 -6.976
93 1HZ LYS 14 HZ1 LYS 14 -1.710 12.619 -4.897
94 2HZ LYS 14 HZ2 LYS 14 -2.302 12.924 -6.447
95 3HZ LYS 14 HZ3 LYS 14 -1.923 14.206 -5.416
96 H ASP 15 HN ASP 15 -1.224 9.207 -3.673
97 HA ASP 15 HA ASP 15 0.810 10.154 -1.855
98 1HB ASP 15 HB2 ASP 15 -2.216 10.142 -1.668
99 2HB ASP 15 HB1 ASP 15 -1.142 10.857 -0.478
100 H CYS 16 HN CYS 16 -1.514 7.512 -2.097
101 HA CYS 16 HA CYS 16 -1.149 6.421 0.489
102 1HB CYS 16 HB2 CYS 16 -1.877 5.090 -2.123
103 2HB CYS 16 HB1 CYS 16 -1.978 4.318 -0.569
104 H TYR 17 HN TYR 17 0.716 6.270 -2.464
105 HA TYR 17 HA TYR 17 2.285 4.039 -1.985
106 1HB TYR 17 HB2 TYR 17 2.978 6.621 -3.366
107 2HB TYR 17 HB1 TYR 17 4.001 5.214 -3.430
108 HD1 TYR 17 HD1 TYR 17 1.225 3.445 -3.558
109 HD2 TYR 17 HD2 TYR 17 3.015 6.541 -5.871
110 HE1 TYR 17 HE1 TYR 17 0.033 2.656 -5.523
111 HE2 TYR 17 HE2 TYR 17 1.793 5.749 -7.848
112 HH TYR 17 HH TYR 17 -0.685 4.178 -7.974
113 H ALA 18 HN ALA 18 2.558 7.252 -0.615
114 HA ALA 18 HA ALA 18 5.198 6.947 0.340
115 1HB ALA 18 HB1 ALA 18 4.801 9.124 0.431
116 2HB ALA 18 HB2 ALA 18 4.139 8.815 2.032
117 3HB ALA 18 HB3 ALA 18 3.066 8.930 0.637
118 HA PRO 19 HA PRO 19 3.288 5.737 4.682
119 1HB PRO 19 HB2 PRO 19 0.574 4.824 3.843
120 2HB PRO 19 HB1 PRO 19 1.085 5.693 5.296
121 1HG PRO 19 HG2 PRO 19 -0.223 6.936 3.340
122 2HG PRO 19 HG1 PRO 19 1.082 7.744 4.230
123 1HD PRO 19 HD2 PRO 19 1.124 6.537 1.521
124 2HD PRO 19 HD1 PRO 19 1.866 8.009 2.097
125 H CYS 20 HN CYS 20 2.114 4.095 1.753
126 HA CYS 20 HA CYS 20 2.251 1.460 2.725
127 1HB CYS 20 HB2 CYS 20 1.127 2.100 0.622
128 2HB CYS 20 HB1 CYS 20 2.693 2.430 -0.111
129 H ARG 21 HN ARG 21 4.652 3.446 1.014
130 HA ARG 21 HA ARG 21 6.724 1.518 0.972
131 1HB ARG 21 HB2 ARG 21 6.664 3.558 -0.418
132 2HB ARG 21 HB1 ARG 21 6.902 4.543 1.005
133 1HG ARG 21 HG2 ARG 21 8.886 2.441 0.184
134 2HG ARG 21 HG1 ARG 21 8.910 4.041 -0.524
135 1HD ARG 21 HD2 ARG 21 9.282 3.355 2.390
136 2HD ARG 21 HD1 ARG 21 10.483 3.942 1.273
137 HE ARG 21 HE ARG 21 8.452 5.831 1.298
138 1HH1 ARG 21 HH11 ARG 21 10.838 4.524 3.519
139 2HH1 ARG 21 HH12 ARG 21 10.914 5.975 4.449
140 1HH2 ARG 21 HH21 ARG 21 8.544 7.707 2.547
141 2HH2 ARG 21 HH22 ARG 21 9.617 7.783 3.905
142 H LYS 22 HN LYS 22 5.848 4.069 3.277
143 HA LYS 22 HA LYS 22 8.023 3.668 5.026
144 1HB LYS 22 HB2 LYS 22 6.542 5.688 4.975
145 2HB LYS 22 HB1 LYS 22 5.265 4.729 5.705
146 1HG LYS 22 HG2 LYS 22 6.362 6.079 7.375
147 2HG LYS 22 HG1 LYS 22 6.671 4.370 7.684
148 1HD LYS 22 HD2 LYS 22 8.882 4.616 6.573
149 2HD LYS 22 HD1 LYS 22 8.550 6.336 6.368
150 1HE LYS 22 HE2 LYS 22 8.437 6.599 8.785
151 2HE LYS 22 HE1 LYS 22 8.703 4.868 9.000
152 1HZ LYS 22 HZ1 LYS 22 10.620 6.774 7.764
153 2HZ LYS 22 HZ2 LYS 22 10.876 5.112 7.968
154 3HZ LYS 22 HZ3 LYS 22 10.732 6.118 9.319
155 H GLN 23 HN GLN 23 5.121 1.868 4.511
156 HA GLN 23 HA GLN 23 5.307 0.496 7.055
157 1HB GLN 23 HB2 GLN 23 3.107 1.033 6.246
158 2HB GLN 23 HB1 GLN 23 3.409 0.156 4.752
159 1HG GLN 23 HG2 GLN 23 3.384 -1.923 5.813
160 2HG GLN 23 HG1 GLN 23 3.544 -1.222 7.411
161 1HE2 GLN 23 HE21 GLN 23 1.524 -3.072 6.347
162 2HE2 GLN 23 HE22 GLN 23 0.011 -2.278 6.595
163 H THR 24 HN THR 24 5.120 -0.688 3.685
164 HA THR 24 HA THR 24 6.511 -3.093 4.632
165 HB THR 24 HB THR 24 4.261 -3.286 3.544
166 HG1 THR 24 HG1 THR 24 5.479 -5.128 3.486
167 1HG2 THR 24 HG21 THR 24 5.469 -2.969 0.867
168 2HG2 THR 24 HG22 THR 24 5.080 -1.485 1.725
169 3HG2 THR 24 HG23 THR 24 3.824 -2.676 1.414
170 H GLY 25 HN GLY 25 7.405 -0.287 3.050
171 1HA GLY 25 HA2 GLY 25 9.610 0.068 2.338
172 2HA GLY 25 HA1 GLY 25 9.775 -1.632 1.936
173 H CYS 26 HN CYS 26 7.329 -1.852 0.466
174 HA CYS 26 HA CYS 26 8.122 -0.503 -1.988
175 1HB CYS 26 HB2 CYS 26 6.234 -2.781 -1.443
176 2HB CYS 26 HB1 CYS 26 6.473 -2.086 -3.041
177 HA PRO 27 HA PRO 27 4.825 2.352 -1.330
178 1HB PRO 27 HB2 PRO 27 4.874 3.641 -3.681
179 2HB PRO 27 HB1 PRO 27 6.218 3.734 -2.548
180 1HG PRO 27 HG2 PRO 27 5.920 2.103 -5.030
181 2HG PRO 27 HG1 PRO 27 7.337 2.981 -4.428
182 1HD PRO 27 HD2 PRO 27 6.924 0.262 -4.134
183 2HD PRO 27 HD1 PRO 27 7.990 1.247 -3.113
184 H ASN 28 HN ASN 28 4.559 -0.036 -3.851
185 HA ASN 28 HA ASN 28 2.267 0.786 -5.142
186 1HB ASN 28 HB2 ASN 28 3.392 -1.966 -4.657
187 2HB ASN 28 HB1 ASN 28 1.973 -1.706 -5.660
188 1HD2 ASN 28 HD21 ASN 28 4.647 -2.721 -6.344
189 2HD2 ASN 28 HD22 ASN 28 5.190 -1.691 -7.620
190 H ALA 29 HN ALA 29 0.448 1.379 -4.147
191 HA ALA 29 HA ALA 29 -1.041 -0.586 -2.611
192 1HB ALA 29 HB1 ALA 29 -0.709 0.416 -0.655
193 2HB ALA 29 HB2 ALA 29 -1.482 1.866 -1.271
194 3HB ALA 29 HB3 ALA 29 0.262 1.670 -1.408
195 H LYS 30 HN LYS 30 -3.276 -0.151 -2.460
196 HA LYS 30 HA LYS 30 -4.317 1.938 -4.280
197 1HB LYS 30 HB2 LYS 30 -4.457 -0.155 -5.462
198 2HB LYS 30 HB1 LYS 30 -5.197 -0.955 -4.094
199 1HG LYS 30 HG2 LYS 30 -7.116 0.672 -4.361
200 2HG LYS 30 HG1 LYS 30 -6.364 1.185 -5.866
201 1HD LYS 30 HD2 LYS 30 -7.180 -1.653 -5.220
202 2HD LYS 30 HD1 LYS 30 -8.176 -0.506 -6.113
203 1HE LYS 30 HE2 LYS 30 -5.462 -1.498 -6.939
204 2HE LYS 30 HE1 LYS 30 -6.993 -2.008 -7.612
205 1HZ LYS 30 HZ1 LYS 30 -5.741 0.663 -7.833
206 2HZ LYS 30 HZ2 LYS 30 -7.361 0.379 -8.238
207 3HZ LYS 30 HZ3 LYS 30 -6.125 -0.414 -9.075
208 H CYS 31 HN CYS 31 -6.077 3.028 -3.479
209 HA CYS 31 HA CYS 31 -6.746 2.511 -0.712
210 1HB CYS 31 HB2 CYS 31 -6.415 4.813 -1.523
211 2HB CYS 31 HB1 CYS 31 -7.843 4.645 -2.535
212 H ILE 32 HN ILE 32 -8.216 1.082 -0.196
213 HA ILE 32 HA ILE 32 -10.759 1.067 -1.663
214 HB ILE 32 HB ILE 32 -10.803 -1.494 -1.082
215 1HG1 ILE 32 HG12 ILE 32 -8.492 -2.502 -1.495
216 2HG1 ILE 32 HG11 ILE 32 -7.817 -0.927 -1.130
217 1HG2 ILE 32 HG21 ILE 32 -10.956 -0.569 -3.317
218 2HG2 ILE 32 HG22 ILE 32 -9.965 -2.027 -3.297
219 3HG2 ILE 32 HG23 ILE 32 -9.198 -0.441 -3.401
220 1HD1 ILE 32 HD11 ILE 32 -8.044 -2.817 0.671
221 2HD1 ILE 32 HD12 ILE 32 -9.671 -2.162 0.849
222 3HD1 ILE 32 HD13 ILE 32 -8.265 -1.123 1.094
223 H ASN 33 HN ASN 33 -12.550 0.807 -0.381
224 HA ASN 33 HA ASN 33 -13.782 1.125 1.486
225 1HB ASN 33 HB2 ASN 33 -12.817 -1.236 1.862
226 2HB ASN 33 HB1 ASN 33 -11.703 -0.487 2.998
227 1HD2 ASN 33 HD21 ASN 33 -12.532 0.358 4.949
228 2HD2 ASN 33 HD22 ASN 33 -14.105 -0.079 5.512
229 H LYS 34 HN LYS 34 -11.939 3.136 0.820
230 HA LYS 34 HA LYS 34 -11.071 5.057 1.598
231 1HB LYS 34 HB2 LYS 34 -12.438 4.268 4.168
232 2HB LYS 34 HB1 LYS 34 -11.771 5.855 3.826
233 1HG LYS 34 HG2 LYS 34 -13.346 6.231 2.075
234 2HG LYS 34 HG1 LYS 34 -13.953 4.576 2.196
235 1HD LYS 34 HD2 LYS 34 -14.733 5.032 4.475
236 2HD LYS 34 HD1 LYS 34 -14.131 6.688 4.350
237 1HE LYS 34 HE2 LYS 34 -15.691 7.180 2.594
238 2HE LYS 34 HE1 LYS 34 -16.209 5.496 2.512
239 1HZ LYS 34 HZ1 LYS 34 -17.788 6.844 3.723
240 2HZ LYS 34 HZ2 LYS 34 -16.599 7.316 4.829
241 3HZ LYS 34 HZ3 LYS 34 -17.091 5.697 4.754
242 H SER 35 HN SER 35 -9.540 2.481 1.920
243 HA SER 35 HA SER 35 -7.507 3.584 3.710
244 1HB SER 35 HB2 SER 35 -7.078 1.306 4.642
245 2HB SER 35 HB1 SER 35 -8.641 1.975 5.101
246 HG SER 35 HG SER 35 -8.939 -0.142 4.461
247 H CYS 36 HN CYS 36 -5.525 3.519 2.868
248 HA CYS 36 HA CYS 36 -5.144 2.458 0.211
249 1HB CYS 36 HB2 CYS 36 -3.066 3.621 2.061
250 2HB CYS 36 HB1 CYS 36 -2.985 3.425 0.328
251 H LYS 37 HN LYS 37 -5.241 0.233 0.246
252 HA LYS 37 HA LYS 37 -3.507 -1.224 2.114
253 1HB LYS 37 HB2 LYS 37 -5.835 -1.979 1.773
254 2HB LYS 37 HB1 LYS 37 -5.478 -2.267 0.077
255 1HG LYS 37 HG2 LYS 37 -3.703 -3.903 0.842
256 2HG LYS 37 HG1 LYS 37 -4.317 -3.672 2.476
257 1HD LYS 37 HD2 LYS 37 -5.316 -5.643 1.611
258 2HD LYS 37 HD1 LYS 37 -6.569 -4.403 1.648
259 1HE LYS 37 HE2 LYS 37 -6.260 -4.009 -0.742
260 2HE LYS 37 HE1 LYS 37 -4.959 -5.199 -0.785
261 1HZ LYS 37 HZ1 LYS 37 -7.800 -5.754 -0.115
262 2HZ LYS 37 HZ2 LYS 37 -6.555 -6.901 -0.156
263 3HZ LYS 37 HZ3 LYS 37 -7.033 -6.121 -1.577
264 H CYS 38 HN CYS 38 -1.656 -2.161 1.511
265 HA CYS 38 HA CYS 38 -0.563 -1.590 -1.089
266 1HB CYS 38 HB2 CYS 38 0.566 -3.212 1.185
267 2HB CYS 38 HB1 CYS 38 1.463 -2.637 -0.217
268 H TYR 39 HN TYR 39 0.083 -3.071 -2.666
269 HA TYR 39 HA TYR 39 -1.510 -5.501 -2.841
270 1HB TYR 39 HB2 TYR 39 0.753 -4.606 -4.657
271 2HB TYR 39 HB1 TYR 39 -0.470 -5.819 -5.004
272 HD1 TYR 39 HD1 TYR 39 0.302 -2.281 -4.941
273 HD2 TYR 39 HD2 TYR 39 -2.791 -5.124 -5.545
274 HE1 TYR 39 HE1 TYR 39 -1.027 -0.559 -6.072
275 HE2 TYR 39 HE2 TYR 39 -4.144 -3.408 -6.675
276 HH TYR 39 HH TYR 39 -3.200 -0.927 -8.024
277 H GLY 40 HN GLY 40 1.490 -4.516 -1.603
278 1HA GLY 40 HA2 GLY 40 2.562 -6.285 -0.193
279 2HA GLY 40 HA1 GLY 40 2.613 -7.242 -1.670
280 H CYS 41 HN CYS 41 5.003 -7.007 -0.822
281 HA CYS 41 HA CYS 41 6.124 -4.607 -2.034
282 1HB CYS 41 HB2 CYS 41 6.664 -5.251 0.399
283 2HB CYS 41 HB1 CYS 41 7.655 -6.527 -0.286
Start of MODEL 10
1 1H TRP 1 HT1 TRP 1 4.277 -1.008 10.836
2 2H TRP 1 HT2 TRP 1 3.103 -0.768 12.068
3 3H TRP 1 HT3 TRP 1 3.769 0.575 11.229
4 HA TRP 1 HA TRP 1 2.829 -0.219 9.209
5 1HB TRP 1 HB2 TRP 1 1.546 -2.273 11.009
6 2HB TRP 1 HB1 TRP 1 1.042 -1.974 9.348
7 HD1 TRP 1 HD1 TRP 1 2.810 -2.677 7.403
8 HE1 TRP 1 HE1 TRP 1 4.625 -4.493 7.370
9 HE3 TRP 1 HE3 TRP 1 3.216 -3.493 12.428
10 HZ2 TRP 1 HZ2 TRP 1 6.040 -6.073 9.232
11 HZ3 TRP 1 HZ3 TRP 1 4.819 -5.180 13.219
12 HH2 TRP 1 HH2 TRP 1 6.202 -6.442 11.652
13 H CYS 2 HN CYS 2 1.063 0.988 8.616
14 HA CYS 2 HA CYS 2 -0.364 2.368 10.683
15 1HB CYS 2 HB2 CYS 2 0.589 3.613 8.740
16 2HB CYS 2 HB1 CYS 2 -0.509 2.744 7.674
17 H SER 3 HN SER 3 -1.635 0.626 11.448
18 HA SER 3 HA SER 3 -3.244 -0.957 9.705
19 1HB SER 3 HB2 SER 3 -3.639 -0.600 12.689
20 2HB SER 3 HB1 SER 3 -4.070 -1.981 11.684
21 HG SER 3 HG SER 3 -2.156 -2.385 12.803
22 H THR 4 HN THR 4 -4.397 1.189 12.335
23 HA THR 4 HA THR 4 -6.808 1.687 10.709
24 HB THR 4 HB THR 4 -7.785 2.293 13.026
25 HG1 THR 4 HG1 THR 4 -6.630 1.664 14.778
26 1HG2 THR 4 HG21 THR 4 -6.926 -0.550 12.493
27 2HG2 THR 4 HG22 THR 4 -8.355 0.243 11.826
28 3HG2 THR 4 HG23 THR 4 -8.229 -0.034 13.563
29 H CYS 5 HN CYS 5 -4.354 3.193 10.406
30 HA CYS 5 HA CYS 5 -5.368 5.854 11.195
31 1HB CYS 5 HB2 CYS 5 -2.890 6.529 10.811
32 2HB CYS 5 HB1 CYS 5 -3.340 5.726 12.308
33 H LEU 6 HN LEU 6 -5.445 3.797 8.762
34 HA LEU 6 HA LEU 6 -4.564 5.523 6.609
35 1HB LEU 6 HB2 LEU 6 -6.012 2.875 6.645
36 2HB LEU 6 HB1 LEU 6 -5.534 3.709 5.175
37 HG LEU 6 HG LEU 6 -3.626 2.688 7.281
38 1HD1 LEU 6 HD11 LEU 6 -4.283 1.593 4.545
39 2HD1 LEU 6 HD12 LEU 6 -4.744 0.868 6.087
40 3HD1 LEU 6 HD13 LEU 6 -3.043 0.976 5.640
41 1HD2 LEU 6 HD21 LEU 6 -2.726 4.613 6.123
42 2HD2 LEU 6 HD22 LEU 6 -3.142 3.906 4.562
43 3HD2 LEU 6 HD23 LEU 6 -1.905 3.157 5.573
44 H ASP 7 HN ASP 7 -6.033 7.244 7.520
45 HA ASP 7 HA ASP 7 -8.852 6.877 6.764
46 1HB ASP 7 HB2 ASP 7 -7.377 8.958 8.362
47 2HB ASP 7 HB1 ASP 7 -9.002 9.263 7.756
48 H LEU 8 HN LEU 8 -6.266 7.381 5.052
49 HA LEU 8 HA LEU 8 -7.026 9.745 3.600
50 1HB LEU 8 HB2 LEU 8 -4.851 7.694 3.173
51 2HB LEU 8 HB1 LEU 8 -5.129 9.050 2.096
52 HG LEU 8 HG LEU 8 -4.724 10.571 4.095
53 1HD1 LEU 8 HD11 LEU 8 -3.789 7.963 5.282
54 2HD1 LEU 8 HD12 LEU 8 -4.968 9.099 5.937
55 3HD1 LEU 8 HD13 LEU 8 -3.271 9.543 5.872
56 1HD2 LEU 8 HD21 LEU 8 -2.457 8.821 3.145
57 2HD2 LEU 8 HD22 LEU 8 -2.305 10.428 3.860
58 3HD2 LEU 8 HD23 LEU 8 -3.101 10.231 2.301
59 H ALA 9 HN ALA 9 -9.187 8.323 3.493
60 HA ALA 9 HA ALA 9 -9.446 6.157 1.809
61 1HB ALA 9 HB1 ALA 9 -11.470 8.296 2.427
62 2HB ALA 9 HB2 ALA 9 -11.166 6.839 3.371
63 3HB ALA 9 HB3 ALA 9 -11.837 6.710 1.745
64 H CYS 10 HN CYS 10 -8.081 6.616 0.022
65 HA CYS 10 HA CYS 10 -7.603 7.217 -2.075
66 1HB CYS 10 HB2 CYS 10 -10.594 7.675 -2.213
67 2HB CYS 10 HB1 CYS 10 -9.535 7.832 -3.605
68 H THR 11 HN THR 11 -6.999 8.987 -0.156
69 HA THR 11 HA THR 11 -7.778 11.650 -1.016
70 HB THR 11 HB THR 11 -5.472 10.841 0.804
71 HG1 THR 11 HG1 THR 11 -7.046 11.412 2.483
72 1HG2 THR 11 HG21 THR 11 -5.252 13.106 0.011
73 2HG2 THR 11 HG22 THR 11 -5.784 13.134 1.690
74 3HG2 THR 11 HG23 THR 11 -6.940 13.450 0.397
75 H GLY 12 HN GLY 12 -5.354 9.254 -1.627
76 1HA GLY 12 HA2 GLY 12 -4.608 10.223 -4.080
77 2HA GLY 12 HA1 GLY 12 -3.455 10.904 -2.952
78 H SER 13 HN SER 13 -3.806 8.463 -5.024
79 HA SER 13 HA SER 13 -2.931 6.172 -3.643
80 1HB SER 13 HB2 SER 13 -2.176 6.948 -6.480
81 2HB SER 13 HB1 SER 13 -2.287 5.322 -5.799
82 HG SER 13 HG SER 13 -4.313 7.045 -6.637
83 H LYS 14 HN LYS 14 -1.158 8.781 -5.248
84 HA LYS 14 HA LYS 14 1.436 7.892 -4.600
85 1HB LYS 14 HB2 LYS 14 2.148 10.191 -5.154
86 2HB LYS 14 HB1 LYS 14 1.113 9.465 -6.376
87 1HG LYS 14 HG2 LYS 14 -0.818 10.725 -5.327
88 2HG LYS 14 HG1 LYS 14 0.384 11.568 -4.351
89 1HD LYS 14 HD2 LYS 14 1.471 12.385 -6.379
90 2HD LYS 14 HD1 LYS 14 0.304 11.507 -7.372
91 1HE LYS 14 HE2 LYS 14 -1.509 12.861 -6.321
92 2HE LYS 14 HE1 LYS 14 -0.262 13.798 -5.495
93 1HZ LYS 14 HZ1 LYS 14 -0.576 13.550 -8.439
94 2HZ LYS 14 HZ2 LYS 14 0.617 14.455 -7.648
95 3HZ LYS 14 HZ3 LYS 14 -1.010 14.891 -7.505
96 H ASP 15 HN ASP 15 -0.967 9.535 -2.750
97 HA ASP 15 HA ASP 15 0.811 10.532 -0.736
98 1HB ASP 15 HB2 ASP 15 -2.189 10.170 -0.816
99 2HB ASP 15 HB1 ASP 15 -1.349 10.777 0.597
100 H CYS 16 HN CYS 16 -1.080 7.607 -1.261
101 HA CYS 16 HA CYS 16 -0.483 6.575 1.389
102 1HB CYS 16 HB2 CYS 16 -1.913 5.357 -0.981
103 2HB CYS 16 HB1 CYS 16 -1.724 4.588 0.590
104 H TYR 17 HN TYR 17 1.007 6.512 -1.717
105 HA TYR 17 HA TYR 17 2.337 4.048 -1.663
106 1HB TYR 17 HB2 TYR 17 3.142 6.740 -2.772
107 2HB TYR 17 HB1 TYR 17 4.135 5.305 -2.995
108 HD1 TYR 17 HD1 TYR 17 3.292 6.725 -5.336
109 HD2 TYR 17 HD2 TYR 17 1.155 3.765 -3.133
110 HE1 TYR 17 HE1 TYR 17 2.015 6.136 -7.346
111 HE2 TYR 17 HE2 TYR 17 -0.102 3.192 -5.127
112 HH TYR 17 HH TYR 17 0.618 3.592 -7.963
113 H ALA 18 HN ALA 18 3.247 7.131 -0.170
114 HA ALA 18 HA ALA 18 5.769 6.275 0.753
115 1HB ALA 18 HB1 ALA 18 5.232 8.227 2.510
116 2HB ALA 18 HB2 ALA 18 4.001 8.583 1.298
117 3HB ALA 18 HB3 ALA 18 5.695 8.518 0.837
118 HA PRO 19 HA PRO 19 3.469 5.335 5.064
119 1HB PRO 19 HB2 PRO 19 0.851 4.617 3.783
120 2HB PRO 19 HB1 PRO 19 1.187 5.275 5.391
121 1HG PRO 19 HG2 PRO 19 0.262 6.841 3.469
122 2HG PRO 19 HG1 PRO 19 1.513 7.425 4.583
123 1HD PRO 19 HD2 PRO 19 1.782 6.571 1.759
124 2HD PRO 19 HD1 PRO 19 2.615 7.825 2.636
125 H CYS 20 HN CYS 20 2.400 3.679 2.066
126 HA CYS 20 HA CYS 20 2.560 1.083 3.202
127 1HB CYS 20 HB2 CYS 20 2.419 2.114 0.387
128 2HB CYS 20 HB1 CYS 20 2.709 0.400 0.683
129 H ARG 21 HN ARG 21 4.926 3.042 1.441
130 HA ARG 21 HA ARG 21 6.965 1.081 1.303
131 1HB ARG 21 HB2 ARG 21 7.254 3.113 0.062
132 2HB ARG 21 HB1 ARG 21 7.080 4.090 1.511
133 1HG ARG 21 HG2 ARG 21 9.203 3.077 2.370
134 2HG ARG 21 HG1 ARG 21 9.368 2.274 0.819
135 1HD ARG 21 HD2 ARG 21 9.117 5.232 1.154
136 2HD ARG 21 HD1 ARG 21 10.659 4.390 1.102
137 HE ARG 21 HE ARG 21 9.635 3.539 -1.179
138 1HH1 ARG 21 HH11 ARG 21 9.547 6.794 0.172
139 2HH1 ARG 21 HH12 ARG 21 9.628 7.545 -1.371
140 1HH2 ARG 21 HH21 ARG 21 9.763 4.583 -3.207
141 2HH2 ARG 21 HH22 ARG 21 9.753 6.314 -3.282
142 H LYS 22 HN LYS 22 6.129 3.526 3.723
143 HA LYS 22 HA LYS 22 8.167 2.942 5.573
144 1HB LYS 22 HB2 LYS 22 6.630 4.953 5.431
145 2HB LYS 22 HB1 LYS 22 5.410 3.996 6.259
146 1HG LYS 22 HG2 LYS 22 7.020 3.699 8.140
147 2HG LYS 22 HG1 LYS 22 8.127 4.795 7.307
148 1HD LYS 22 HD2 LYS 22 5.377 5.419 8.371
149 2HD LYS 22 HD1 LYS 22 6.919 6.063 8.937
150 1HE LYS 22 HE2 LYS 22 5.685 6.575 6.217
151 2HE LYS 22 HE1 LYS 22 5.705 7.677 7.575
152 1HZ LYS 22 HZ1 LYS 22 7.438 8.245 6.054
153 2HZ LYS 22 HZ2 LYS 22 8.096 6.692 6.130
154 3HZ LYS 22 HZ3 LYS 22 8.130 7.693 7.495
155 H GLN 23 HN GLN 23 5.076 1.456 4.945
156 HA GLN 23 HA GLN 23 4.955 -0.012 7.405
157 1HB GLN 23 HB2 GLN 23 3.384 0.011 4.852
158 2HB GLN 23 HB1 GLN 23 3.149 -1.292 5.996
159 1HG GLN 23 HG2 GLN 23 2.474 0.212 7.672
160 2HG GLN 23 HG1 GLN 23 2.878 1.613 6.723
161 1HE2 GLN 23 HE21 GLN 23 0.639 -1.054 7.125
162 2HE2 GLN 23 HE22 GLN 23 -0.610 -0.378 6.142
163 H THR 24 HN THR 24 5.290 -1.134 4.010
164 HA THR 24 HA THR 24 6.554 -3.561 5.118
165 HB THR 24 HB THR 24 5.917 -4.557 2.875
166 HG1 THR 24 HG1 THR 24 4.713 -3.380 1.514
167 1HG2 THR 24 HG21 THR 24 3.586 -4.883 3.485
168 2HG2 THR 24 HG22 THR 24 3.690 -3.546 4.630
169 3HG2 THR 24 HG23 THR 24 4.641 -5.010 4.892
170 H GLY 25 HN GLY 25 7.124 -0.940 2.832
171 1HA GLY 25 HA2 GLY 25 9.656 -0.643 2.628
172 2HA GLY 25 HA1 GLY 25 9.636 -2.283 2.006
173 H CYS 26 HN CYS 26 7.382 -2.232 0.394
174 HA CYS 26 HA CYS 26 8.418 -0.603 -1.787
175 1HB CYS 26 HB2 CYS 26 6.322 -2.731 -1.851
176 2HB CYS 26 HB1 CYS 26 7.082 -2.009 -3.248
177 HA PRO 27 HA PRO 27 4.997 2.217 -1.474
178 1HB PRO 27 HB2 PRO 27 5.429 3.676 -3.658
179 2HB PRO 27 HB1 PRO 27 6.642 3.595 -2.377
180 1HG PRO 27 HG2 PRO 27 6.553 2.107 -4.974
181 2HG PRO 27 HG1 PRO 27 7.918 2.942 -4.210
182 1HD PRO 27 HD2 PRO 27 7.454 0.226 -4.046
183 2HD PRO 27 HD1 PRO 27 8.409 1.165 -2.881
184 H ASN 28 HN ASN 28 4.575 -0.487 -3.012
185 HA ASN 28 HA ASN 28 2.695 0.288 -5.070
186 1HB ASN 28 HB2 ASN 28 3.494 -2.402 -3.945
187 2HB ASN 28 HB1 ASN 28 2.280 -2.198 -5.193
188 1HD2 ASN 28 HD21 ASN 28 3.338 -3.290 -6.774
189 2HD2 ASN 28 HD22 ASN 28 4.801 -2.712 -7.487
190 H ALA 29 HN ALA 29 0.810 1.123 -4.404
191 HA ALA 29 HA ALA 29 -0.801 -0.382 -2.467
192 1HB ALA 29 HB1 ALA 29 -1.110 1.378 -0.984
193 2HB ALA 29 HB2 ALA 29 -0.457 2.581 -2.097
194 3HB ALA 29 HB3 ALA 29 0.619 1.424 -1.333
195 H LYS 30 HN LYS 30 -3.011 0.246 -2.405
196 HA LYS 30 HA LYS 30 -3.959 2.231 -4.296
197 1HB LYS 30 HB2 LYS 30 -3.996 0.157 -5.661
198 2HB LYS 30 HB1 LYS 30 -5.003 -0.618 -4.440
199 1HG LYS 30 HG2 LYS 30 -6.684 1.242 -4.836
200 2HG LYS 30 HG1 LYS 30 -5.690 1.719 -6.209
201 1HD LYS 30 HD2 LYS 30 -6.049 -0.449 -7.230
202 2HD LYS 30 HD1 LYS 30 -6.961 -0.989 -5.815
203 1HE LYS 30 HE2 LYS 30 -8.600 0.825 -6.227
204 2HE LYS 30 HE1 LYS 30 -7.712 1.256 -7.690
205 1HZ LYS 30 HZ1 LYS 30 -8.183 -0.941 -8.575
206 2HZ LYS 30 HZ2 LYS 30 -9.613 -0.130 -8.180
207 3HZ LYS 30 HZ3 LYS 30 -9.031 -1.353 -7.167
208 H CYS 31 HN CYS 31 -5.987 3.039 -3.683
209 HA CYS 31 HA CYS 31 -6.687 2.464 -0.917
210 1HB CYS 31 HB2 CYS 31 -8.063 4.475 -1.048
211 2HB CYS 31 HB1 CYS 31 -6.426 4.771 -1.572
212 H ILE 32 HN ILE 32 -8.198 1.028 -0.397
213 HA ILE 32 HA ILE 32 -10.296 0.415 -2.377
214 HB ILE 32 HB ILE 32 -9.325 -1.154 0.015
215 1HG1 ILE 32 HG12 ILE 32 -9.035 -2.931 -1.781
216 2HG1 ILE 32 HG11 ILE 32 -9.365 -1.677 -2.971
217 1HG2 ILE 32 HG21 ILE 32 -11.811 -1.506 -1.642
218 2HG2 ILE 32 HG22 ILE 32 -11.646 -1.465 0.114
219 3HG2 ILE 32 HG23 ILE 32 -11.060 -2.852 -0.786
220 1HD1 ILE 32 HD11 ILE 32 -7.362 -0.599 -2.551
221 2HD1 ILE 32 HD12 ILE 32 -6.944 -2.307 -2.443
222 3HD1 ILE 32 HD13 ILE 32 -7.159 -1.360 -0.972
223 H ASN 33 HN ASN 33 -11.661 2.031 -2.119
224 HA ASN 33 HA ASN 33 -13.243 3.400 -1.281
225 1HB ASN 33 HB2 ASN 33 -15.181 2.178 -0.509
226 2HB ASN 33 HB1 ASN 33 -14.372 1.320 -1.808
227 1HD2 ASN 33 HD21 ASN 33 -15.172 -0.678 -1.342
228 2HD2 ASN 33 HD22 ASN 33 -14.777 -1.542 0.100
229 H LYS 34 HN LYS 34 -10.961 3.080 0.711
230 HA LYS 34 HA LYS 34 -11.762 4.747 2.712
231 1HB LYS 34 HB2 LYS 34 -13.321 3.117 3.545
232 2HB LYS 34 HB1 LYS 34 -12.107 1.848 3.458
233 1HG LYS 34 HG2 LYS 34 -10.830 3.048 5.232
234 2HG LYS 34 HG1 LYS 34 -12.161 4.202 5.338
235 1HD LYS 34 HD2 LYS 34 -13.673 2.435 6.001
236 2HD LYS 34 HD1 LYS 34 -12.405 1.225 5.780
237 1HE LYS 34 HE2 LYS 34 -11.094 2.257 7.556
238 2HE LYS 34 HE1 LYS 34 -12.331 3.499 7.765
239 1HZ LYS 34 HZ1 LYS 34 -12.709 0.587 8.209
240 2HZ LYS 34 HZ2 LYS 34 -13.897 1.777 8.409
241 3HZ LYS 34 HZ3 LYS 34 -12.537 1.763 9.412
242 H SER 35 HN SER 35 -10.050 1.634 2.492
243 HA SER 35 HA SER 35 -7.756 2.933 3.811
244 1HB SER 35 HB2 SER 35 -7.165 0.494 4.360
245 2HB SER 35 HB1 SER 35 -8.552 1.217 5.172
246 HG SER 35 HG SER 35 -8.870 -0.941 4.246
247 H CYS 36 HN CYS 36 -5.874 3.137 2.824
248 HA CYS 36 HA CYS 36 -5.480 2.153 0.149
249 1HB CYS 36 HB2 CYS 36 -3.652 3.622 2.032
250 2HB CYS 36 HB1 CYS 36 -3.223 3.174 0.382
251 H LYS 37 HN LYS 37 -5.377 -0.011 0.063
252 HA LYS 37 HA LYS 37 -3.804 -1.480 2.007
253 1HB LYS 37 HB2 LYS 37 -5.932 -2.390 1.219
254 2HB LYS 37 HB1 LYS 37 -5.315 -2.422 -0.428
255 1HG LYS 37 HG2 LYS 37 -3.617 -4.059 0.230
256 2HG LYS 37 HG1 LYS 37 -4.204 -3.996 1.891
257 1HD LYS 37 HD2 LYS 37 -5.075 -5.955 0.766
258 2HD LYS 37 HD1 LYS 37 -6.389 -4.839 1.134
259 1HE LYS 37 HE2 LYS 37 -6.425 -4.069 -1.160
260 2HE LYS 37 HE1 LYS 37 -5.014 -5.053 -1.550
261 1HZ LYS 37 HZ1 LYS 37 -7.675 -6.079 -0.709
262 2HZ LYS 37 HZ2 LYS 37 -6.324 -7.032 -1.080
263 3HZ LYS 37 HZ3 LYS 37 -7.054 -6.095 -2.282
264 H CYS 38 HN CYS 38 -1.786 -2.046 1.751
265 HA CYS 38 HA CYS 38 -0.316 -1.378 -0.662
266 1HB CYS 38 HB2 CYS 38 0.809 -2.933 1.657
267 2HB CYS 38 HB1 CYS 38 1.601 -1.767 0.597
268 H TYR 39 HN TYR 39 0.712 -2.921 -2.015
269 HA TYR 39 HA TYR 39 -0.805 -5.359 -2.298
270 1HB TYR 39 HB2 TYR 39 1.489 -4.196 -3.871
271 2HB TYR 39 HB1 TYR 39 0.741 -5.732 -4.281
272 HD1 TYR 39 HD1 TYR 39 0.470 -2.163 -4.555
273 HD2 TYR 39 HD2 TYR 39 -1.694 -5.785 -4.921
274 HE1 TYR 39 HE1 TYR 39 -1.193 -0.993 -5.910
275 HE2 TYR 39 HE2 TYR 39 -3.385 -4.633 -6.280
276 HH TYR 39 HH TYR 39 -3.049 -2.111 -7.872
277 H GLY 40 HN GLY 40 1.085 -5.065 0.064
278 1HA GLY 40 HA2 GLY 40 2.346 -6.435 1.316
279 2HA GLY 40 HA1 GLY 40 1.836 -7.730 0.246
280 H CYS 41 HN CYS 41 4.109 -5.003 0.402
281 HA CYS 41 HA CYS 41 6.223 -6.766 -0.587
282 1HB CYS 41 HB2 CYS 41 5.214 -5.696 -2.591
283 2HB CYS 41 HB1 CYS 41 5.599 -4.136 -1.937
Start of MODEL 11
1 1H TRP 1 HT1 TRP 1 4.781 4.836 11.339
2 2H TRP 1 HT2 TRP 1 3.440 3.940 11.933
3 3H TRP 1 HT3 TRP 1 3.284 5.617 11.604
4 HA TRP 1 HA TRP 1 3.564 5.310 9.328
5 1HB TRP 1 HB2 TRP 1 3.778 3.024 8.370
6 2HB TRP 1 HB1 TRP 1 5.167 3.492 9.340
7 HD1 TRP 1 HD1 TRP 1 2.070 1.206 9.511
8 HE1 TRP 1 HE1 TRP 1 2.553 -0.682 11.190
9 HE3 TRP 1 HE3 TRP 1 6.579 2.828 11.275
10 HZ2 TRP 1 HZ2 TRP 1 4.579 -1.390 13.015
11 HZ3 TRP 1 HZ3 TRP 1 7.727 1.485 12.985
12 HH2 TRP 1 HH2 TRP 1 6.745 -0.579 13.836
13 H CYS 2 HN CYS 2 1.858 4.478 7.889
14 HA CYS 2 HA CYS 2 -0.645 4.646 9.285
15 1HB CYS 2 HB2 CYS 2 -0.114 5.799 7.129
16 2HB CYS 2 HB1 CYS 2 -0.158 4.239 6.322
17 H SER 3 HN SER 3 -0.859 2.750 10.454
18 HA SER 3 HA SER 3 -0.877 0.187 9.030
19 1HB SER 3 HB2 SER 3 0.198 0.414 11.275
20 2HB SER 3 HB1 SER 3 -1.388 0.752 11.965
21 HG SER 3 HG SER 3 -0.429 -1.638 10.803
22 H THR 4 HN THR 4 -3.006 2.690 9.536
23 HA THR 4 HA THR 4 -5.344 0.896 9.519
24 HB THR 4 HB THR 4 -5.308 3.810 10.398
25 HG1 THR 4 HG1 THR 4 -4.105 2.790 11.928
26 1HG2 THR 4 HG21 THR 4 -7.438 3.200 11.442
27 2HG2 THR 4 HG22 THR 4 -7.306 1.574 10.773
28 3HG2 THR 4 HG23 THR 4 -7.476 2.959 9.702
29 H CYS 5 HN CYS 5 -4.516 4.241 8.530
30 HA CYS 5 HA CYS 5 -4.960 5.427 6.644
31 1HB CYS 5 HB2 CYS 5 -5.013 2.704 5.306
32 2HB CYS 5 HB1 CYS 5 -4.847 4.255 4.515
33 H LEU 6 HN LEU 6 -7.146 4.823 8.292
34 HA LEU 6 HA LEU 6 -9.348 4.103 6.525
35 1HB LEU 6 HB2 LEU 6 -9.268 3.273 8.837
36 2HB LEU 6 HB1 LEU 6 -9.318 4.922 9.434
37 HG LEU 6 HG LEU 6 -11.576 5.172 8.398
38 1HD1 LEU 6 HD11 LEU 6 -11.397 3.513 6.642
39 2HD1 LEU 6 HD12 LEU 6 -12.766 3.148 7.685
40 3HD1 LEU 6 HD13 LEU 6 -11.270 2.224 7.840
41 1HD2 LEU 6 HD21 LEU 6 -11.306 2.875 10.333
42 2HD2 LEU 6 HD22 LEU 6 -12.758 3.838 10.050
43 3HD2 LEU 6 HD23 LEU 6 -11.329 4.588 10.756
44 H ASP 7 HN ASP 7 -7.875 6.916 7.944
45 HA ASP 7 HA ASP 7 -10.079 8.662 7.122
46 1HB ASP 7 HB2 ASP 7 -8.706 10.457 8.193
47 2HB ASP 7 HB1 ASP 7 -9.160 9.151 9.281
48 H LEU 8 HN LEU 8 -7.608 7.226 5.593
49 HA LEU 8 HA LEU 8 -7.017 9.534 3.877
50 1HB LEU 8 HB2 LEU 8 -5.126 8.315 5.082
51 2HB LEU 8 HB1 LEU 8 -5.494 6.934 4.067
52 HG LEU 8 HG LEU 8 -5.015 8.382 2.062
53 1HD1 LEU 8 HD11 LEU 8 -3.812 10.454 2.384
54 2HD1 LEU 8 HD12 LEU 8 -3.970 10.300 4.133
55 3HD1 LEU 8 HD13 LEU 8 -5.397 10.555 3.138
56 1HD2 LEU 8 HD21 LEU 8 -3.369 6.820 3.170
57 2HD2 LEU 8 HD22 LEU 8 -2.685 8.231 3.952
58 3HD2 LEU 8 HD23 LEU 8 -2.685 8.108 2.193
59 H ALA 9 HN ALA 9 -9.421 7.916 3.884
60 HA ALA 9 HA ALA 9 -9.543 5.814 2.158
61 1HB ALA 9 HB1 ALA 9 -11.345 6.528 3.635
62 2HB ALA 9 HB2 ALA 9 -11.919 6.275 1.987
63 3HB ALA 9 HB3 ALA 9 -11.660 7.914 2.592
64 H CYS 10 HN CYS 10 -8.113 6.276 0.440
65 HA CYS 10 HA CYS 10 -7.533 6.826 -1.636
66 1HB CYS 10 HB2 CYS 10 -9.906 5.825 -2.028
67 2HB CYS 10 HB1 CYS 10 -10.419 7.483 -2.249
68 H THR 11 HN THR 11 -7.127 8.782 0.185
69 HA THR 11 HA THR 11 -8.116 11.320 -0.827
70 HB THR 11 HB THR 11 -5.770 10.891 1.050
71 HG1 THR 11 HG1 THR 11 -7.695 9.841 1.833
72 1HG2 THR 11 HG21 THR 11 -7.697 13.186 0.684
73 2HG2 THR 11 HG22 THR 11 -6.003 13.160 0.195
74 3HG2 THR 11 HG23 THR 11 -6.427 13.098 1.903
75 H GLY 12 HN GLY 12 -5.570 9.108 -1.448
76 1HA GLY 12 HA2 GLY 12 -4.848 10.167 -3.857
77 2HA GLY 12 HA1 GLY 12 -3.737 10.901 -2.704
78 H SER 13 HN SER 13 -3.831 8.535 -4.859
79 HA SER 13 HA SER 13 -2.906 6.258 -3.467
80 1HB SER 13 HB2 SER 13 -2.302 7.135 -6.304
81 2HB SER 13 HB1 SER 13 -2.041 5.516 -5.650
82 HG SER 13 HG SER 13 -4.037 5.713 -6.778
83 H LYS 14 HN LYS 14 -1.156 8.946 -5.023
84 HA LYS 14 HA LYS 14 1.441 8.117 -4.254
85 1HB LYS 14 HB2 LYS 14 2.144 10.398 -4.743
86 2HB LYS 14 HB1 LYS 14 1.096 9.775 -6.011
87 1HG LYS 14 HG2 LYS 14 -0.768 11.041 -5.194
88 2HG LYS 14 HG1 LYS 14 0.144 11.564 -3.782
89 1HD LYS 14 HD2 LYS 14 1.699 12.777 -5.205
90 2HD LYS 14 HD1 LYS 14 0.816 12.243 -6.639
91 1HE LYS 14 HE2 LYS 14 0.215 14.524 -5.991
92 2HE LYS 14 HE1 LYS 14 -1.163 13.430 -5.892
93 1HZ LYS 14 HZ1 LYS 14 0.496 14.125 -3.530
94 2HZ LYS 14 HZ2 LYS 14 -1.030 13.394 -3.563
95 3HZ LYS 14 HZ3 LYS 14 -0.866 15.015 -3.994
96 H ASP 15 HN ASP 15 -1.071 9.899 -2.639
97 HA ASP 15 HA ASP 15 0.501 10.889 -0.496
98 1HB ASP 15 HB2 ASP 15 -2.466 10.387 -0.778
99 2HB ASP 15 HB1 ASP 15 -1.755 11.103 0.659
100 H CYS 16 HN CYS 16 -1.139 7.841 -1.102
101 HA CYS 16 HA CYS 16 -0.580 6.916 1.615
102 1HB CYS 16 HB2 CYS 16 -2.729 6.395 0.368
103 2HB CYS 16 HB1 CYS 16 -1.787 5.312 -0.648
104 H TYR 17 HN TYR 17 0.845 6.834 -1.536
105 HA TYR 17 HA TYR 17 2.184 4.402 -1.471
106 1HB TYR 17 HB2 TYR 17 2.812 7.034 -2.787
107 2HB TYR 17 HB1 TYR 17 3.940 5.691 -2.925
108 HD1 TYR 17 HD1 TYR 17 2.782 6.908 -5.312
109 HD2 TYR 17 HD2 TYR 17 1.261 3.752 -2.878
110 HE1 TYR 17 HE1 TYR 17 1.520 6.025 -7.221
111 HE2 TYR 17 HE2 TYR 17 0.020 2.892 -4.772
112 HH TYR 17 HH TYR 17 -0.863 4.328 -7.243
113 H ALA 18 HN ALA 18 3.280 7.514 -0.188
114 HA ALA 18 HA ALA 18 5.833 6.615 0.566
115 1HB ALA 18 HB1 ALA 18 5.355 8.589 2.384
116 2HB ALA 18 HB2 ALA 18 4.187 8.979 1.121
117 3HB ALA 18 HB3 ALA 18 5.893 8.830 0.726
118 HA PRO 19 HA PRO 19 3.957 5.639 5.003
119 1HB PRO 19 HB2 PRO 19 1.097 5.257 4.234
120 2HB PRO 19 HB1 PRO 19 1.799 5.944 5.703
121 1HG PRO 19 HG2 PRO 19 0.681 7.501 3.863
122 2HG PRO 19 HG1 PRO 19 2.143 8.013 4.729
123 1HD PRO 19 HD2 PRO 19 1.871 6.970 1.965
124 2HD PRO 19 HD1 PRO 19 2.896 8.236 2.586
125 H CYS 20 HN CYS 20 2.443 4.313 2.074
126 HA CYS 20 HA CYS 20 2.141 1.661 3.000
127 1HB CYS 20 HB2 CYS 20 0.967 2.454 1.021
128 2HB CYS 20 HB1 CYS 20 2.493 2.709 0.181
129 H ARG 21 HN ARG 21 4.747 3.218 1.123
130 HA ARG 21 HA ARG 21 6.365 0.877 0.982
131 1HB ARG 21 HB2 ARG 21 6.660 2.755 -0.551
132 2HB ARG 21 HB1 ARG 21 7.145 3.793 0.781
133 1HG ARG 21 HG2 ARG 21 9.138 2.471 1.144
134 2HG ARG 21 HG1 ARG 21 8.628 1.317 -0.089
135 1HD ARG 21 HD2 ARG 21 10.341 2.915 -0.882
136 2HD ARG 21 HD1 ARG 21 8.833 2.965 -1.800
137 HE ARG 21 HE ARG 21 9.014 4.893 0.359
138 1HH1 ARG 21 HH11 ARG 21 9.779 4.307 -3.025
139 2HH1 ARG 21 HH12 ARG 21 9.651 5.972 -3.447
140 1HH2 ARG 21 HH21 ARG 21 8.872 7.081 -0.227
141 2HH2 ARG 21 HH22 ARG 21 9.148 7.550 -1.872
142 H LYS 22 HN LYS 22 5.993 3.486 3.305
143 HA LYS 22 HA LYS 22 8.250 2.801 4.909
144 1HB LYS 22 HB2 LYS 22 7.078 4.994 4.906
145 2HB LYS 22 HB1 LYS 22 5.720 4.255 5.733
146 1HG LYS 22 HG2 LYS 22 7.063 3.769 7.658
147 2HG LYS 22 HG1 LYS 22 8.527 4.315 6.837
148 1HD LYS 22 HD2 LYS 22 6.141 6.045 7.522
149 2HD LYS 22 HD1 LYS 22 7.665 5.999 8.407
150 1HE LYS 22 HE2 LYS 22 8.837 6.724 6.336
151 2HE LYS 22 HE1 LYS 22 7.270 6.883 5.547
152 1HZ LYS 22 HZ1 LYS 22 6.644 8.542 7.174
153 2HZ LYS 22 HZ2 LYS 22 8.056 8.993 6.360
154 3HZ LYS 22 HZ3 LYS 22 8.149 8.395 7.938
155 H GLN 23 HN GLN 23 5.010 1.585 4.596
156 HA GLN 23 HA GLN 23 5.011 0.123 7.083
157 1HB GLN 23 HB2 GLN 23 2.889 0.856 6.284
158 2HB GLN 23 HB1 GLN 23 3.170 0.176 4.695
159 1HG GLN 23 HG2 GLN 23 1.595 -1.178 5.855
160 2HG GLN 23 HG1 GLN 23 3.075 -2.100 5.673
161 1HE2 GLN 23 HE21 GLN 23 4.359 -2.497 7.546
162 2HE2 GLN 23 HE22 GLN 23 3.690 -2.322 9.122
163 H THR 24 HN THR 24 4.836 -0.931 3.661
164 HA THR 24 HA THR 24 5.638 -3.598 4.489
165 HB THR 24 HB THR 24 5.140 -4.213 2.123
166 HG1 THR 24 HG1 THR 24 4.577 -2.672 0.673
167 1HG2 THR 24 HG21 THR 24 2.995 -2.559 3.454
168 2HG2 THR 24 HG22 THR 24 3.352 -4.255 3.783
169 3HG2 THR 24 HG23 THR 24 2.746 -3.773 2.200
170 H GLY 25 HN GLY 25 7.030 -0.923 2.680
171 1HA GLY 25 HA2 GLY 25 9.466 -0.832 2.470
172 2HA GLY 25 HA1 GLY 25 9.459 -2.565 2.178
173 H CYS 26 HN CYS 26 6.829 -2.043 0.645
174 HA CYS 26 HA CYS 26 8.086 -1.108 -1.836
175 1HB CYS 26 HB2 CYS 26 6.123 -3.342 -1.367
176 2HB CYS 26 HB1 CYS 26 6.376 -2.635 -2.939
177 HA PRO 27 HA PRO 27 4.842 1.922 -1.666
178 1HB PRO 27 HB2 PRO 27 5.353 3.227 -3.935
179 2HB PRO 27 HB1 PRO 27 6.549 3.172 -2.640
180 1HG PRO 27 HG2 PRO 27 6.401 1.491 -5.117
181 2HG PRO 27 HG1 PRO 27 7.793 2.358 -4.442
182 1HD PRO 27 HD2 PRO 27 7.326 -0.311 -4.037
183 2HD PRO 27 HD1 PRO 27 8.221 0.721 -2.901
184 H ASN 28 HN ASN 28 4.241 -0.834 -3.011
185 HA ASN 28 HA ASN 28 2.430 -0.052 -5.139
186 1HB ASN 28 HB2 ASN 28 3.122 -2.747 -3.953
187 2HB ASN 28 HB1 ASN 28 1.938 -2.516 -5.229
188 1HD2 ASN 28 HD21 ASN 28 5.291 -2.591 -4.454
189 2HD2 ASN 28 HD22 ASN 28 5.871 -2.469 -6.069
190 H ALA 29 HN ALA 29 0.784 1.085 -4.244
191 HA ALA 29 HA ALA 29 -1.034 -0.404 -2.467
192 1HB ALA 29 HB1 ALA 29 -0.769 1.049 -0.822
193 2HB ALA 29 HB2 ALA 29 -1.303 2.358 -1.870
194 3HB ALA 29 HB3 ALA 29 0.409 1.957 -1.762
195 H LYS 30 HN LYS 30 -3.217 0.505 -2.462
196 HA LYS 30 HA LYS 30 -3.972 2.272 -4.612
197 1HB LYS 30 HB2 LYS 30 -3.774 0.073 -5.766
198 2HB LYS 30 HB1 LYS 30 -4.969 -0.589 -4.661
199 1HG LYS 30 HG2 LYS 30 -6.666 0.890 -5.515
200 2HG LYS 30 HG1 LYS 30 -5.479 1.736 -6.511
201 1HD LYS 30 HD2 LYS 30 -6.643 0.243 -7.939
202 2HD LYS 30 HD1 LYS 30 -5.035 -0.436 -7.690
203 1HE LYS 30 HE2 LYS 30 -6.100 -1.854 -5.842
204 2HE LYS 30 HE1 LYS 30 -7.648 -1.314 -6.483
205 1HZ LYS 30 HZ1 LYS 30 -7.054 -2.277 -8.616
206 2HZ LYS 30 HZ2 LYS 30 -6.991 -3.441 -7.393
207 3HZ LYS 30 HZ3 LYS 30 -5.561 -2.783 -8.000
208 H CYS 31 HN CYS 31 -6.110 3.054 -4.317
209 HA CYS 31 HA CYS 31 -7.079 2.673 -1.600
210 1HB CYS 31 HB2 CYS 31 -8.474 4.550 -1.983
211 2HB CYS 31 HB1 CYS 31 -6.853 4.943 -2.513
212 H ILE 32 HN ILE 32 -8.437 1.061 -1.192
213 HA ILE 32 HA ILE 32 -10.420 0.307 -3.248
214 HB ILE 32 HB ILE 32 -9.447 -1.221 -0.823
215 1HG1 ILE 32 HG12 ILE 32 -8.966 -2.970 -2.601
216 2HG1 ILE 32 HG11 ILE 32 -9.311 -1.735 -3.807
217 1HG2 ILE 32 HG21 ILE 32 -11.806 -1.728 -2.626
218 2HG2 ILE 32 HG22 ILE 32 -11.767 -1.633 -0.864
219 3HG2 ILE 32 HG23 ILE 32 -11.042 -3.007 -1.682
220 1HD1 ILE 32 HD11 ILE 32 -7.400 -0.539 -3.287
221 2HD1 ILE 32 HD12 ILE 32 -6.887 -2.217 -3.159
222 3HD1 ILE 32 HD13 ILE 32 -7.230 -1.292 -1.699
223 H ASN 33 HN ASN 33 -12.175 1.380 -3.024
224 HA ASN 33 HA ASN 33 -13.128 3.233 -1.624
225 1HB ASN 33 HB2 ASN 33 -14.798 0.780 -2.163
226 2HB ASN 33 HB1 ASN 33 -15.483 2.333 -1.689
227 1HD2 ASN 33 HD21 ASN 33 -15.395 4.067 -3.136
228 2HD2 ASN 33 HD22 ASN 33 -15.091 3.811 -4.817
229 H LYS 34 HN LYS 34 -12.071 3.282 0.392
230 HA LYS 34 HA LYS 34 -13.482 3.264 2.667
231 1HB LYS 34 HB2 LYS 34 -13.944 0.862 2.508
232 2HB LYS 34 HB1 LYS 34 -12.224 0.515 2.376
233 1HG LYS 34 HG2 LYS 34 -11.941 1.439 4.669
234 2HG LYS 34 HG1 LYS 34 -13.689 1.662 4.749
235 1HD LYS 34 HD2 LYS 34 -14.030 -0.724 4.524
236 2HD LYS 34 HD1 LYS 34 -12.295 -0.982 4.315
237 1HE LYS 34 HE2 LYS 34 -11.902 -0.102 6.571
238 2HE LYS 34 HE1 LYS 34 -13.639 0.129 6.778
239 1HZ LYS 34 HZ1 LYS 34 -12.277 -2.474 6.343
240 2HZ LYS 34 HZ2 LYS 34 -13.945 -2.255 6.543
241 3HZ LYS 34 HZ3 LYS 34 -12.887 -1.904 7.814
242 H SER 35 HN SER 35 -10.458 1.777 1.565
243 HA SER 35 HA SER 35 -8.850 3.792 2.910
244 1HB SER 35 HB2 SER 35 -7.604 1.980 4.190
245 2HB SER 35 HB1 SER 35 -9.233 2.321 4.770
246 HG SER 35 HG SER 35 -8.701 0.046 4.519
247 H CYS 36 HN CYS 36 -6.516 3.420 2.453
248 HA CYS 36 HA CYS 36 -6.176 2.197 -0.186
249 1HB CYS 36 HB2 CYS 36 -3.939 3.280 -0.164
250 2HB CYS 36 HB1 CYS 36 -5.290 4.397 -0.079
251 H LYS 37 HN LYS 37 -5.320 0.245 -0.419
252 HA LYS 37 HA LYS 37 -3.922 -0.934 1.908
253 1HB LYS 37 HB2 LYS 37 -6.208 -1.847 1.259
254 2HB LYS 37 HB1 LYS 37 -5.458 -2.431 -0.219
255 1HG LYS 37 HG2 LYS 37 -3.866 -3.744 1.181
256 2HG LYS 37 HG1 LYS 37 -4.745 -3.198 2.609
257 1HD LYS 37 HD2 LYS 37 -5.574 -5.354 2.096
258 2HD LYS 37 HD1 LYS 37 -6.825 -4.214 1.600
259 1HE LYS 37 HE2 LYS 37 -5.950 -4.364 -0.730
260 2HE LYS 37 HE1 LYS 37 -4.812 -5.591 -0.178
261 1HZ LYS 37 HZ1 LYS 37 -7.772 -5.790 -0.064
262 2HZ LYS 37 HZ2 LYS 37 -6.683 -6.978 0.456
263 3HZ LYS 37 HZ3 LYS 37 -6.767 -6.566 -1.181
264 H CYS 38 HN CYS 38 -2.094 -2.120 1.548
265 HA CYS 38 HA CYS 38 -0.722 -1.600 -0.974
266 1HB CYS 38 HB2 CYS 38 0.276 -2.872 1.575
267 2HB CYS 38 HB1 CYS 38 1.265 -2.399 0.197
268 H TYR 39 HN TYR 39 0.219 -3.242 -2.226
269 HA TYR 39 HA TYR 39 -1.229 -5.769 -2.239
270 1HB TYR 39 HB2 TYR 39 1.028 -4.735 -3.976
271 2HB TYR 39 HB1 TYR 39 0.182 -6.257 -4.231
272 HD1 TYR 39 HD1 TYR 39 0.100 -2.692 -4.764
273 HD2 TYR 39 HD2 TYR 39 -2.265 -6.222 -4.811
274 HE1 TYR 39 HE1 TYR 39 -1.565 -1.536 -6.137
275 HE2 TYR 39 HE2 TYR 39 -3.946 -5.075 -6.182
276 HH TYR 39 HH TYR 39 -3.466 -2.480 -7.904
277 H GLY 40 HN GLY 40 1.453 -4.503 -0.666
278 1HA GLY 40 HA2 GLY 40 2.606 -5.759 0.956
279 2HA GLY 40 HA1 GLY 40 2.467 -7.194 -0.048
280 H CYS 41 HN CYS 41 4.862 -7.077 0.598
281 HA CYS 41 HA CYS 41 6.264 -5.867 -1.680
282 1HB CYS 41 HB2 CYS 41 6.508 -4.396 0.361
283 2HB CYS 41 HB1 CYS 41 7.305 -5.734 1.165
Start of MODEL 12
1 1H TRP 1 HT1 TRP 1 -0.867 -0.836 13.464
2 2H TRP 1 HT2 TRP 1 -0.559 0.148 12.090
3 3H TRP 1 HT3 TRP 1 -0.520 0.826 13.668
4 HA TRP 1 HA TRP 1 1.330 -0.547 14.247
5 1HB TRP 1 HB2 TRP 1 0.915 -2.429 12.775
6 2HB TRP 1 HB1 TRP 1 1.136 -1.414 11.353
7 HD1 TRP 1 HD1 TRP 1 3.411 -1.816 10.265
8 HE1 TRP 1 HE1 TRP 1 5.767 -2.463 11.070
9 HE3 TRP 1 HE3 TRP 1 2.495 -2.141 15.285
10 HZ2 TRP 1 HZ2 TRP 1 7.068 -3.025 13.510
11 HZ3 TRP 1 HZ3 TRP 1 4.351 -2.734 16.785
12 HH2 TRP 1 HH2 TRP 1 6.588 -3.168 15.914
13 H CYS 2 HN CYS 2 1.129 0.810 10.957
14 HA CYS 2 HA CYS 2 3.600 2.211 11.238
15 1HB CYS 2 HB2 CYS 2 2.817 3.372 9.085
16 2HB CYS 2 HB1 CYS 2 3.083 1.639 9.046
17 H SER 3 HN SER 3 3.945 3.997 12.307
18 HA SER 3 HA SER 3 1.956 5.362 13.716
19 1HB SER 3 HB2 SER 3 4.723 6.407 13.078
20 2HB SER 3 HB1 SER 3 3.721 6.785 14.482
21 HG SER 3 HG SER 3 4.081 4.775 15.286
22 H THR 4 HN THR 4 3.186 5.916 10.497
23 HA THR 4 HA THR 4 1.975 8.591 10.426
24 HB THR 4 HB THR 4 3.521 7.346 8.139
25 HG1 THR 4 HG1 THR 4 4.654 8.601 10.461
26 1HG2 THR 4 HG21 THR 4 3.248 10.174 9.176
27 2HG2 THR 4 HG22 THR 4 2.399 9.506 7.783
28 3HG2 THR 4 HG23 THR 4 4.152 9.674 7.749
29 H CYS 5 HN CYS 5 0.201 6.368 10.600
30 HA CYS 5 HA CYS 5 -1.056 6.496 7.936
31 1HB CYS 5 HB2 CYS 5 -0.996 4.170 9.856
32 2HB CYS 5 HB1 CYS 5 -1.980 4.241 8.397
33 H LEU 6 HN LEU 6 -2.323 8.232 8.474
34 HA LEU 6 HA LEU 6 -4.234 7.944 10.684
35 1HB LEU 6 HB2 LEU 6 -3.686 10.210 8.755
36 2HB LEU 6 HB1 LEU 6 -4.951 10.253 9.949
37 HG LEU 6 HG LEU 6 -3.211 11.514 10.847
38 1HD1 LEU 6 HD11 LEU 6 -2.687 10.397 12.881
39 2HD1 LEU 6 HD12 LEU 6 -2.945 8.813 12.156
40 3HD1 LEU 6 HD13 LEU 6 -4.308 9.909 12.394
41 1HD2 LEU 6 HD21 LEU 6 -0.935 10.901 10.973
42 2HD2 LEU 6 HD22 LEU 6 -1.440 10.591 9.315
43 3HD2 LEU 6 HD23 LEU 6 -1.259 9.252 10.450
44 H ASP 7 HN ASP 7 -6.442 9.281 9.471
45 HA ASP 7 HA ASP 7 -7.561 7.033 8.068
46 1HB ASP 7 HB2 ASP 7 -8.736 9.723 8.802
47 2HB ASP 7 HB1 ASP 7 -9.645 8.418 8.044
48 H LEU 8 HN LEU 8 -5.747 7.488 6.373
49 HA LEU 8 HA LEU 8 -6.437 9.509 4.400
50 1HB LEU 8 HB2 LEU 8 -4.250 7.457 4.656
51 2HB LEU 8 HB1 LEU 8 -4.539 8.252 3.123
52 HG LEU 8 HG LEU 8 -4.195 10.455 4.276
53 1HD1 LEU 8 HD11 LEU 8 -3.230 8.683 6.514
54 2HD1 LEU 8 HD12 LEU 8 -4.586 9.809 6.564
55 3HD1 LEU 8 HD13 LEU 8 -2.946 10.420 6.398
56 1HD2 LEU 8 HD21 LEU 8 -1.887 8.513 4.319
57 2HD2 LEU 8 HD22 LEU 8 -1.771 10.273 4.248
58 3HD2 LEU 8 HD23 LEU 8 -2.479 9.382 2.903
59 H ALA 9 HN ALA 9 -8.393 7.440 4.984
60 HA ALA 9 HA ALA 9 -8.416 5.234 3.428
61 1HB ALA 9 HB1 ALA 9 -10.002 5.701 5.222
62 2HB ALA 9 HB2 ALA 9 -10.818 5.172 3.752
63 3HB ALA 9 HB3 ALA 9 -10.820 6.880 4.198
64 H CYS 10 HN CYS 10 -7.517 5.766 1.405
65 HA CYS 10 HA CYS 10 -7.561 6.145 -0.764
66 1HB CYS 10 HB2 CYS 10 -9.723 4.720 -0.394
67 2HB CYS 10 HB1 CYS 10 -10.564 6.220 -0.754
68 H THR 11 HN THR 11 -7.262 8.345 0.799
69 HA THR 11 HA THR 11 -8.820 10.497 -0.360
70 HB THR 11 HB THR 11 -8.008 10.686 1.973
71 HG1 THR 11 HG1 THR 11 -8.307 12.650 1.023
72 1HG2 THR 11 HG21 THR 11 -5.846 9.459 1.602
73 2HG2 THR 11 HG22 THR 11 -5.703 10.951 2.510
74 3HG2 THR 11 HG23 THR 11 -5.235 10.908 0.816
75 H GLY 12 HN GLY 12 -5.952 8.733 -1.049
76 1HA GLY 12 HA2 GLY 12 -5.649 9.839 -3.604
77 2HA GLY 12 HA1 GLY 12 -4.484 10.604 -2.526
78 H SER 13 HN SER 13 -4.415 8.494 -4.802
79 HA SER 13 HA SER 13 -3.474 6.083 -3.661
80 1HB SER 13 HB2 SER 13 -2.719 7.204 -6.375
81 2HB SER 13 HB1 SER 13 -2.749 5.510 -5.878
82 HG SER 13 HG SER 13 -4.612 6.272 -7.111
83 H LYS 14 HN LYS 14 -1.809 9.019 -4.767
84 HA LYS 14 HA LYS 14 0.798 8.027 -4.182
85 1HB LYS 14 HB2 LYS 14 -0.147 10.846 -4.603
86 2HB LYS 14 HB1 LYS 14 1.539 10.337 -4.557
87 1HG LYS 14 HG2 LYS 14 1.211 8.991 -6.549
88 2HG LYS 14 HG1 LYS 14 -0.497 9.439 -6.590
89 1HD LYS 14 HD2 LYS 14 0.155 11.807 -6.853
90 2HD LYS 14 HD1 LYS 14 1.852 11.322 -6.867
91 1HE LYS 14 HE2 LYS 14 -0.226 10.408 -8.857
92 2HE LYS 14 HE1 LYS 14 0.923 11.717 -9.122
93 1HZ LYS 14 HZ1 LYS 14 1.574 8.855 -8.689
94 2HZ LYS 14 HZ2 LYS 14 2.729 10.089 -8.793
95 3HZ LYS 14 HZ3 LYS 14 1.746 9.732 -10.122
96 H ASP 15 HN ASP 15 -1.677 9.673 -2.433
97 HA ASP 15 HA ASP 15 -0.088 10.441 -0.183
98 1HB ASP 15 HB2 ASP 15 -3.053 10.032 -0.585
99 2HB ASP 15 HB1 ASP 15 -2.380 10.453 0.984
100 H CYS 16 HN CYS 16 -1.743 7.520 -1.198
101 HA CYS 16 HA CYS 16 -1.390 6.194 1.349
102 1HB CYS 16 HB2 CYS 16 -2.247 5.172 -1.356
103 2HB CYS 16 HB1 CYS 16 -2.187 4.190 0.082
104 H TYR 17 HN TYR 17 0.356 6.454 -1.688
105 HA TYR 17 HA TYR 17 1.996 4.207 -1.519
106 1HB TYR 17 HB2 TYR 17 2.562 6.965 -2.621
107 2HB TYR 17 HB1 TYR 17 3.672 5.614 -2.824
108 HD1 TYR 17 HD1 TYR 17 2.378 7.245 -5.038
109 HD2 TYR 17 HD2 TYR 17 1.262 3.566 -3.195
110 HE1 TYR 17 HE1 TYR 17 1.199 6.571 -7.079
111 HE2 TYR 17 HE2 TYR 17 0.100 2.916 -5.232
112 HH TYR 17 HH TYR 17 -0.972 4.666 -7.418
113 H ALA 18 HN ALA 18 2.398 7.374 -0.001
114 HA ALA 18 HA ALA 18 5.013 6.969 0.908
115 1HB ALA 18 HB1 ALA 18 4.650 9.132 1.206
116 2HB ALA 18 HB2 ALA 18 3.962 8.708 2.769
117 3HB ALA 18 HB3 ALA 18 2.911 8.939 1.373
118 HA PRO 19 HA PRO 19 3.274 5.483 5.209
119 1HB PRO 19 HB2 PRO 19 0.494 4.659 4.549
120 2HB PRO 19 HB1 PRO 19 1.140 5.524 5.941
121 1HG PRO 19 HG2 PRO 19 -0.295 6.782 4.094
122 2HG PRO 19 HG1 PRO 19 1.063 7.566 4.925
123 1HD PRO 19 HD2 PRO 19 0.956 6.386 2.203
124 2HD PRO 19 HD1 PRO 19 1.717 7.862 2.743
125 H CYS 20 HN CYS 20 2.021 4.019 2.222
126 HA CYS 20 HA CYS 20 2.174 1.324 3.089
127 1HB CYS 20 HB2 CYS 20 0.955 1.987 1.054
128 2HB CYS 20 HB1 CYS 20 2.471 2.438 0.287
129 H ARG 21 HN ARG 21 4.494 3.490 1.490
130 HA ARG 21 HA ARG 21 6.612 1.601 1.303
131 1HB ARG 21 HB2 ARG 21 6.618 3.649 -0.014
132 2HB ARG 21 HB1 ARG 21 6.669 4.622 1.452
133 1HG ARG 21 HG2 ARG 21 8.877 3.687 1.986
134 2HG ARG 21 HG1 ARG 21 8.814 2.732 0.505
135 1HD ARG 21 HD2 ARG 21 8.761 4.737 -0.820
136 2HD ARG 21 HD1 ARG 21 8.700 5.745 0.629
137 HE ARG 21 HE ARG 21 10.977 4.341 0.998
138 1HH1 ARG 21 HH11 ARG 21 9.779 6.234 -1.714
139 2HH1 ARG 21 HH12 ARG 21 11.357 6.697 -2.220
140 1HH2 ARG 21 HH21 ARG 21 13.046 4.996 0.329
141 2HH2 ARG 21 HH22 ARG 21 13.217 6.006 -1.068
142 H LYS 22 HN LYS 22 5.581 3.901 3.772
143 HA LYS 22 HA LYS 22 7.772 3.573 5.527
144 1HB LYS 22 HB2 LYS 22 4.904 4.383 5.991
145 2HB LYS 22 HB1 LYS 22 6.097 4.410 7.266
146 1HG LYS 22 HG2 LYS 22 6.251 5.980 4.702
147 2HG LYS 22 HG1 LYS 22 5.730 6.622 6.251
148 1HD LYS 22 HD2 LYS 22 8.463 5.433 5.690
149 2HD LYS 22 HD1 LYS 22 8.084 7.146 5.688
150 1HE LYS 22 HE2 LYS 22 7.778 5.306 8.062
151 2HE LYS 22 HE1 LYS 22 9.092 6.441 7.796
152 1HZ LYS 22 HZ1 LYS 22 7.569 7.481 9.229
153 2HZ LYS 22 HZ2 LYS 22 6.241 7.080 8.269
154 3HZ LYS 22 HZ3 LYS 22 7.360 8.230 7.727
155 H GLN 23 HN GLN 23 4.842 1.724 5.025
156 HA GLN 23 HA GLN 23 5.227 0.136 7.412
157 1HB GLN 23 HB2 GLN 23 2.980 0.687 6.599
158 2HB GLN 23 HB1 GLN 23 3.299 -0.179 5.102
159 1HG GLN 23 HG2 GLN 23 3.583 -2.263 6.442
160 2HG GLN 23 HG1 GLN 23 3.125 -1.344 7.875
161 1HE2 GLN 23 HE21 GLN 23 1.302 -2.627 8.239
162 2HE2 GLN 23 HE22 GLN 23 -0.091 -2.527 7.222
163 H THR 24 HN THR 24 5.116 -0.631 3.924
164 HA THR 24 HA THR 24 6.268 -3.237 4.475
165 HB THR 24 HB THR 24 5.792 -3.710 2.106
166 HG1 THR 24 HG1 THR 24 5.111 -2.129 0.742
167 1HG2 THR 24 HG21 THR 24 3.499 -2.311 3.491
168 2HG2 THR 24 HG22 THR 24 3.983 -3.991 3.729
169 3HG2 THR 24 HG23 THR 24 3.364 -3.465 2.164
170 H GLY 25 HN GLY 25 7.265 -0.228 2.945
171 1HA GLY 25 HA2 GLY 25 9.609 0.276 2.682
172 2HA GLY 25 HA1 GLY 25 9.921 -1.425 2.389
173 H CYS 26 HN CYS 26 7.282 -1.410 0.795
174 HA CYS 26 HA CYS 26 8.512 -0.560 -1.703
175 1HB CYS 26 HB2 CYS 26 6.222 -2.443 -1.149
176 2HB CYS 26 HB1 CYS 26 6.797 -2.022 -2.761
177 HA PRO 27 HA PRO 27 5.584 2.764 -1.803
178 1HB PRO 27 HB2 PRO 27 6.369 3.926 -4.053
179 2HB PRO 27 HB1 PRO 27 7.490 3.738 -2.701
180 1HG PRO 27 HG2 PRO 27 7.288 2.133 -5.211
181 2HG PRO 27 HG1 PRO 27 8.732 2.701 -4.355
182 1HD PRO 27 HD2 PRO 27 7.595 0.150 -4.145
183 2HD PRO 27 HD1 PRO 27 8.779 0.871 -3.036
184 H ASN 28 HN ASN 28 4.842 0.027 -3.272
185 HA ASN 28 HA ASN 28 2.975 1.185 -5.223
186 1HB ASN 28 HB2 ASN 28 4.147 -1.563 -4.892
187 2HB ASN 28 HB1 ASN 28 2.707 -1.294 -5.872
188 1HD2 ASN 28 HD21 ASN 28 2.880 -0.229 -7.822
189 2HD2 ASN 28 HD22 ASN 28 4.409 0.123 -8.545
190 H ALA 29 HN ALA 29 0.996 1.481 -4.577
191 HA ALA 29 HA ALA 29 -0.346 -0.417 -2.830
192 1HB ALA 29 HB1 ALA 29 -0.548 0.913 -1.034
193 2HB ALA 29 HB2 ALA 29 -0.703 2.389 -1.984
194 3HB ALA 29 HB3 ALA 29 0.886 1.703 -1.671
195 H LYS 30 HN LYS 30 -2.630 0.382 -2.403
196 HA LYS 30 HA LYS 30 -3.806 1.999 -4.523
197 1HB LYS 30 HB2 LYS 30 -3.795 -0.231 -5.503
198 2HB LYS 30 HB1 LYS 30 -4.547 -0.910 -4.068
199 1HG LYS 30 HG2 LYS 30 -6.558 0.447 -4.515
200 2HG LYS 30 HG1 LYS 30 -5.781 1.077 -5.969
201 1HD LYS 30 HD2 LYS 30 -5.662 -1.200 -6.873
202 2HD LYS 30 HD1 LYS 30 -6.444 -1.818 -5.418
203 1HE LYS 30 HE2 LYS 30 -8.050 -1.599 -7.215
204 2HE LYS 30 HE1 LYS 30 -8.423 -0.451 -5.931
205 1HZ LYS 30 HZ1 LYS 30 -7.525 1.316 -7.212
206 2HZ LYS 30 HZ2 LYS 30 -8.567 0.455 -8.222
207 3HZ LYS 30 HZ3 LYS 30 -6.895 0.263 -8.380
208 H CYS 31 HN CYS 31 -5.748 2.947 -3.809
209 HA CYS 31 HA CYS 31 -6.255 2.482 -0.958
210 1HB CYS 31 HB2 CYS 31 -7.243 4.583 -0.872
211 2HB CYS 31 HB1 CYS 31 -5.740 4.758 -1.709
212 H ILE 32 HN ILE 32 -8.035 1.632 -0.210
213 HA ILE 32 HA ILE 32 -10.359 1.339 -2.023
214 HB ILE 32 HB ILE 32 -11.066 -0.558 -0.578
215 1HG1 ILE 32 HG12 ILE 32 -8.256 -0.372 0.550
216 2HG1 ILE 32 HG11 ILE 32 -9.725 0.028 1.428
217 1HG2 ILE 32 HG21 ILE 32 -9.611 -2.204 -1.582
218 2HG2 ILE 32 HG22 ILE 32 -8.382 -0.976 -1.887
219 3HG2 ILE 32 HG23 ILE 32 -9.928 -0.909 -2.731
220 1HD1 ILE 32 HD11 ILE 32 -8.875 -2.669 0.439
221 2HD1 ILE 32 HD12 ILE 32 -10.469 -2.323 1.108
222 3HD1 ILE 32 HD13 ILE 32 -9.029 -2.121 2.105
223 H ASN 33 HN ASN 33 -12.394 1.741 -1.050
224 HA ASN 33 HA ASN 33 -12.339 3.986 0.673
225 1HB ASN 33 HB2 ASN 33 -14.077 3.696 -1.007
226 2HB ASN 33 HB1 ASN 33 -14.669 2.259 -0.183
227 1HD2 ASN 33 HD21 ASN 33 -14.306 5.759 0.073
228 2HD2 ASN 33 HD22 ASN 33 -15.575 5.969 1.226
229 H LYS 34 HN LYS 34 -11.141 3.179 2.392
230 HA LYS 34 HA LYS 34 -12.377 2.734 4.777
231 1HB LYS 34 HB2 LYS 34 -11.980 0.199 3.300
232 2HB LYS 34 HB1 LYS 34 -11.288 0.192 4.915
233 1HG LYS 34 HG2 LYS 34 -13.488 0.869 5.816
234 2HG LYS 34 HG1 LYS 34 -14.164 0.723 4.200
235 1HD LYS 34 HD2 LYS 34 -13.408 -1.653 4.163
236 2HD LYS 34 HD1 LYS 34 -12.902 -1.461 5.845
237 1HE LYS 34 HE2 LYS 34 -15.231 -0.855 6.432
238 2HE LYS 34 HE1 LYS 34 -15.700 -1.160 4.758
239 1HZ LYS 34 HZ1 LYS 34 -14.547 -3.160 6.627
240 2HZ LYS 34 HZ2 LYS 34 -15.000 -3.457 5.022
241 3HZ LYS 34 HZ3 LYS 34 -16.171 -3.048 6.170
242 H SER 35 HN SER 35 -9.589 1.645 2.856
243 HA SER 35 HA SER 35 -7.741 3.090 4.544
244 1HB SER 35 HB2 SER 35 -8.187 1.032 5.876
245 2HB SER 35 HB1 SER 35 -7.635 0.054 4.517
246 HG SER 35 HG SER 35 -5.914 0.331 5.900
247 H CYS 36 HN CYS 36 -5.458 2.708 3.822
248 HA CYS 36 HA CYS 36 -5.328 2.362 0.911
249 1HB CYS 36 HB2 CYS 36 -3.166 3.153 2.870
250 2HB CYS 36 HB1 CYS 36 -3.071 3.189 1.126
251 H LYS 37 HN LYS 37 -4.915 0.364 0.134
252 HA LYS 37 HA LYS 37 -3.576 -1.587 1.910
253 1HB LYS 37 HB2 LYS 37 -4.584 -3.296 0.602
254 2HB LYS 37 HB1 LYS 37 -5.838 -2.176 1.096
255 1HG LYS 37 HG2 LYS 37 -5.956 -1.196 -1.066
256 2HG LYS 37 HG1 LYS 37 -4.548 -2.087 -1.634
257 1HD LYS 37 HD2 LYS 37 -7.198 -3.277 -0.826
258 2HD LYS 37 HD1 LYS 37 -6.607 -3.067 -2.475
259 1HE LYS 37 HE2 LYS 37 -4.691 -4.549 -1.929
260 2HE LYS 37 HE1 LYS 37 -5.397 -4.824 -0.339
261 1HZ LYS 37 HZ1 LYS 37 -6.668 -5.514 -2.920
262 2HZ LYS 37 HZ2 LYS 37 -7.339 -5.773 -1.386
263 3HZ LYS 37 HZ3 LYS 37 -5.935 -6.596 -1.846
264 H CYS 38 HN CYS 38 -2.122 -3.133 0.864
265 HA CYS 38 HA CYS 38 -0.722 -2.015 -1.495
266 1HB CYS 38 HB2 CYS 38 0.648 -3.269 0.899
267 2HB CYS 38 HB1 CYS 38 1.406 -2.499 -0.492
268 H TYR 39 HN TYR 39 0.357 -3.587 -2.793
269 HA TYR 39 HA TYR 39 -0.963 -6.202 -2.730
270 1HB TYR 39 HB2 TYR 39 1.117 -5.255 -4.717
271 2HB TYR 39 HB1 TYR 39 -0.069 -6.537 -4.910
272 HD1 TYR 39 HD1 TYR 39 0.588 -2.990 -5.205
273 HD2 TYR 39 HD2 TYR 39 -2.476 -5.948 -5.252
274 HE1 TYR 39 HE1 TYR 39 -0.918 -1.405 -6.319
275 HE2 TYR 39 HE2 TYR 39 -3.990 -4.367 -6.366
276 HH TYR 39 HH TYR 39 -3.293 -1.988 -7.990
277 H GLY 40 HN GLY 40 1.040 -5.436 -0.661
278 1HA GLY 40 HA2 GLY 40 2.771 -6.496 0.426
279 2HA GLY 40 HA1 GLY 40 3.012 -7.548 -0.969
280 H CYS 41 HN CYS 41 3.501 -6.227 -3.018
281 HA CYS 41 HA CYS 41 4.844 -3.714 -2.633
282 1HB CYS 41 HB2 CYS 41 6.345 -6.120 -3.697
283 2HB CYS 41 HB1 CYS 41 6.879 -4.461 -3.933
Start of MODEL 13
1 1H TRP 1 HT1 TRP 1 1.896 1.806 11.376
2 2H TRP 1 HT2 TRP 1 2.832 0.538 12.033
3 3H TRP 1 HT3 TRP 1 3.169 1.139 10.471
4 HA TRP 1 HA TRP 1 3.273 2.814 12.849
5 1HB TRP 1 HB2 TRP 1 5.777 2.466 12.763
6 2HB TRP 1 HB1 TRP 1 4.844 1.089 13.324
7 HD1 TRP 1 HD1 TRP 1 4.365 -0.836 11.289
8 HE1 TRP 1 HE1 TRP 1 6.050 -1.728 9.565
9 HE3 TRP 1 HE3 TRP 1 7.795 2.943 11.492
10 HZ2 TRP 1 HZ2 TRP 1 8.525 -0.946 8.463
11 HZ3 TRP 1 HZ3 TRP 1 9.802 2.788 10.079
12 HH2 TRP 1 HH2 TRP 1 10.156 0.883 8.596
13 H CYS 2 HN CYS 2 2.086 3.789 10.747
14 HA CYS 2 HA CYS 2 3.996 5.142 8.995
15 1HB CYS 2 HB2 CYS 2 1.978 6.212 8.031
16 2HB CYS 2 HB1 CYS 2 1.889 4.455 8.010
17 H SER 3 HN SER 3 4.398 7.369 9.074
18 HA SER 3 HA SER 3 4.065 8.545 11.735
19 1HB SER 3 HB2 SER 3 5.611 9.599 9.355
20 2HB SER 3 HB1 SER 3 5.768 10.093 11.044
21 HG SER 3 HG SER 3 6.722 8.182 11.523
22 H THR 4 HN THR 4 1.732 8.315 10.090
23 HA THR 4 HA THR 4 0.767 11.001 10.152
24 HB THR 4 HB THR 4 1.893 11.044 7.969
25 HG1 THR 4 HG1 THR 4 -0.014 12.160 7.893
26 1HG2 THR 4 HG21 THR 4 1.564 9.506 6.243
27 2HG2 THR 4 HG22 THR 4 0.193 8.750 7.028
28 3HG2 THR 4 HG23 THR 4 1.813 8.509 7.667
29 H CYS 5 HN CYS 5 -1.243 9.827 7.994
30 HA CYS 5 HA CYS 5 -2.970 8.481 7.823
31 1HB CYS 5 HB2 CYS 5 -1.943 6.999 10.223
32 2HB CYS 5 HB1 CYS 5 -3.145 6.429 9.085
33 H LEU 6 HN LEU 6 -4.273 10.275 8.260
34 HA LEU 6 HA LEU 6 -5.603 10.284 10.886
35 1HB LEU 6 HB2 LEU 6 -5.784 12.095 8.477
36 2HB LEU 6 HB1 LEU 6 -6.983 12.141 9.751
37 HG LEU 6 HG LEU 6 -5.409 13.935 10.060
38 1HD1 LEU 6 HD11 LEU 6 -4.772 13.556 12.335
39 2HD1 LEU 6 HD12 LEU 6 -4.872 11.809 12.129
40 3HD1 LEU 6 HD13 LEU 6 -6.334 12.794 12.051
41 1HD2 LEU 6 HD21 LEU 6 -3.219 11.875 10.313
42 2HD2 LEU 6 HD22 LEU 6 -3.066 13.627 10.408
43 3HD2 LEU 6 HD23 LEU 6 -3.495 12.865 8.879
44 H ASP 7 HN ASP 7 -6.490 10.241 7.449
45 HA ASP 7 HA ASP 7 -8.013 7.833 7.727
46 1HB ASP 7 HB2 ASP 7 -9.666 9.475 8.616
47 2HB ASP 7 HB1 ASP 7 -9.576 10.367 7.101
48 H LEU 8 HN LEU 8 -6.628 7.160 6.096
49 HA LEU 8 HA LEU 8 -6.198 8.766 3.782
50 1HB LEU 8 HB2 LEU 8 -5.208 6.144 4.760
51 2HB LEU 8 HB1 LEU 8 -5.053 6.440 3.048
52 HG LEU 8 HG LEU 8 -3.001 6.994 4.161
53 1HD1 LEU 8 HD11 LEU 8 -2.654 9.188 3.291
54 2HD1 LEU 8 HD12 LEU 8 -4.376 9.545 3.326
55 3HD1 LEU 8 HD13 LEU 8 -3.748 8.335 2.207
56 1HD2 LEU 8 HD21 LEU 8 -3.908 7.491 6.370
57 2HD2 LEU 8 HD22 LEU 8 -4.596 8.997 5.757
58 3HD2 LEU 8 HD23 LEU 8 -2.843 8.777 5.796
59 H ALA 9 HN ALA 9 -8.955 7.735 4.237
60 HA ALA 9 HA ALA 9 -9.698 5.677 2.608
61 1HB ALA 9 HB1 ALA 9 -11.405 8.121 3.030
62 2HB ALA 9 HB2 ALA 9 -11.040 6.976 4.307
63 3HB ALA 9 HB3 ALA 9 -11.899 6.434 2.870
64 H CYS 10 HN CYS 10 -8.340 5.920 0.754
65 HA CYS 10 HA CYS 10 -7.710 6.564 -1.271
66 1HB CYS 10 HB2 CYS 10 -10.160 5.746 -1.674
67 2HB CYS 10 HB1 CYS 10 -10.535 7.448 -1.857
68 H THR 11 HN THR 11 -6.924 8.334 0.444
69 HA THR 11 HA THR 11 -7.849 11.007 -0.219
70 HB THR 11 HB THR 11 -5.262 10.300 1.227
71 HG1 THR 11 HG1 THR 11 -7.901 10.505 2.331
72 1HG2 THR 11 HG21 THR 11 -5.429 12.632 0.722
73 2HG2 THR 11 HG22 THR 11 -5.817 12.427 2.427
74 3HG2 THR 11 HG23 THR 11 -7.110 12.693 1.259
75 H GLY 12 HN GLY 12 -5.999 8.706 -1.729
76 1HA GLY 12 HA2 GLY 12 -5.402 9.740 -4.007
77 2HA GLY 12 HA1 GLY 12 -4.191 10.582 -3.047
78 H SER 13 HN SER 13 -4.341 8.194 -5.113
79 HA SER 13 HA SER 13 -3.168 5.996 -3.761
80 1HB SER 13 HB2 SER 13 -2.358 5.379 -6.101
81 2HB SER 13 HB1 SER 13 -4.095 5.590 -5.913
82 HG SER 13 HG SER 13 -2.243 7.222 -7.234
83 H LYS 14 HN LYS 14 -1.771 8.679 -5.640
84 HA LYS 14 HA LYS 14 0.937 8.069 -5.178
85 1HB LYS 14 HB2 LYS 14 1.396 10.415 -5.744
86 2HB LYS 14 HB1 LYS 14 0.297 9.657 -6.887
87 1HG LYS 14 HG2 LYS 14 -1.562 10.824 -6.077
88 2HG LYS 14 HG1 LYS 14 -0.732 11.334 -4.611
89 1HD LYS 14 HD2 LYS 14 0.754 12.750 -5.909
90 2HD LYS 14 HD1 LYS 14 -0.029 12.224 -7.402
91 1HE LYS 14 HE2 LYS 14 -2.072 13.270 -6.795
92 2HE LYS 14 HE1 LYS 14 -1.511 13.578 -5.152
93 1HZ LYS 14 HZ1 LYS 14 -0.411 14.819 -7.618
94 2HZ LYS 14 HZ2 LYS 14 0.135 15.109 -6.041
95 3HZ LYS 14 HZ3 LYS 14 -1.428 15.569 -6.492
96 H ASP 15 HN ASP 15 -1.467 9.673 -3.208
97 HA ASP 15 HA ASP 15 0.333 10.901 -1.402
98 1HB ASP 15 HB2 ASP 15 -2.167 11.407 -1.709
99 2HB ASP 15 HB1 ASP 15 -2.478 10.009 -0.683
100 H CYS 16 HN CYS 16 -1.454 7.834 -1.336
101 HA CYS 16 HA CYS 16 -0.399 7.148 1.250
102 1HB CYS 16 HB2 CYS 16 -2.673 6.514 0.444
103 2HB CYS 16 HB1 CYS 16 -1.919 5.392 -0.685
104 H TYR 17 HN TYR 17 0.664 6.644 -2.016
105 HA TYR 17 HA TYR 17 1.990 4.216 -1.809
106 1HB TYR 17 HB2 TYR 17 2.627 6.710 -3.379
107 2HB TYR 17 HB1 TYR 17 3.635 5.272 -3.510
108 HD1 TYR 17 HD1 TYR 17 2.313 6.435 -5.870
109 HD2 TYR 17 HD2 TYR 17 0.867 3.546 -3.083
110 HE1 TYR 17 HE1 TYR 17 0.807 5.515 -7.580
111 HE2 TYR 17 HE2 TYR 17 -0.617 2.666 -4.777
112 HH TYR 17 HH TYR 17 -0.388 2.820 -7.725
113 H ALA 18 HN ALA 18 3.127 7.387 -0.742
114 HA ALA 18 HA ALA 18 5.745 6.498 -0.107
115 1HB ALA 18 HB1 ALA 18 5.430 8.668 1.507
116 2HB ALA 18 HB2 ALA 18 4.189 8.958 0.289
117 3HB ALA 18 HB3 ALA 18 5.860 8.717 -0.199
118 HA PRO 19 HA PRO 19 4.165 6.138 4.533
119 1HB PRO 19 HB2 PRO 19 1.257 5.697 4.006
120 2HB PRO 19 HB1 PRO 19 2.058 6.545 5.334
121 1HG PRO 19 HG2 PRO 19 0.831 7.883 3.390
122 2HG PRO 19 HG1 PRO 19 2.343 8.479 4.102
123 1HD PRO 19 HD2 PRO 19 1.899 7.144 1.495
124 2HD PRO 19 HD1 PRO 19 2.988 8.437 1.917
125 H CYS 20 HN CYS 20 2.333 4.465 1.977
126 HA CYS 20 HA CYS 20 2.187 1.953 3.249
127 1HB CYS 20 HB2 CYS 20 0.759 2.431 1.380
128 2HB CYS 20 HB1 CYS 20 2.137 2.733 0.331
129 H ARG 21 HN ARG 21 4.570 3.321 1.000
130 HA ARG 21 HA ARG 21 6.159 0.979 0.818
131 1HB ARG 21 HB2 ARG 21 6.209 2.824 -0.811
132 2HB ARG 21 HB1 ARG 21 6.922 3.865 0.386
133 1HG ARG 21 HG2 ARG 21 8.360 1.336 -0.126
134 2HG ARG 21 HG1 ARG 21 8.310 2.463 -1.471
135 1HD ARG 21 HD2 ARG 21 9.285 3.077 1.316
136 2HD ARG 21 HD1 ARG 21 10.285 2.782 -0.105
137 HE ARG 21 HE ARG 21 8.427 4.915 -0.536
138 1HH1 ARG 21 HH11 ARG 21 11.559 4.133 0.844
139 2HH1 ARG 21 HH12 ARG 21 12.102 5.766 0.783
140 1HH2 ARG 21 HH21 ARG 21 9.147 7.040 -0.608
141 2HH2 ARG 21 HH22 ARG 21 10.737 7.429 -0.039
142 H LYS 22 HN LYS 22 6.240 3.803 2.976
143 HA LYS 22 HA LYS 22 8.635 3.091 4.344
144 1HB LYS 22 HB2 LYS 22 7.580 5.340 4.445
145 2HB LYS 22 HB1 LYS 22 6.250 4.657 5.373
146 1HG LYS 22 HG2 LYS 22 7.932 3.994 7.122
147 2HG LYS 22 HG1 LYS 22 9.144 4.880 6.192
148 1HD LYS 22 HD2 LYS 22 7.685 6.914 6.405
149 2HD LYS 22 HD1 LYS 22 6.650 5.981 7.490
150 1HE LYS 22 HE2 LYS 22 9.573 6.609 7.915
151 2HE LYS 22 HE1 LYS 22 8.217 7.378 8.735
152 1HZ LYS 22 HZ1 LYS 22 9.132 5.728 10.160
153 2HZ LYS 22 HZ2 LYS 22 9.061 4.543 8.961
154 3HZ LYS 22 HZ3 LYS 22 7.631 5.153 9.632
155 H GLN 23 HN GLN 23 5.273 2.193 4.646
156 HA GLN 23 HA GLN 23 5.460 0.958 7.201
157 1HB GLN 23 HB2 GLN 23 3.369 1.830 6.410
158 2HB GLN 23 HB1 GLN 23 3.419 0.816 4.984
159 1HG GLN 23 HG2 GLN 23 1.834 -0.041 6.554
160 2HG GLN 23 HG1 GLN 23 3.165 -1.176 6.389
161 1HE2 GLN 23 HE21 GLN 23 2.715 -2.125 8.374
162 2HE2 GLN 23 HE22 GLN 23 3.003 -1.315 9.863
163 H THR 24 HN THR 24 4.810 -0.556 4.018
164 HA THR 24 HA THR 24 5.814 -3.078 5.162
165 HB THR 24 HB THR 24 3.445 -3.042 4.464
166 HG1 THR 24 HG1 THR 24 3.555 -5.006 3.515
167 1HG2 THR 24 HG21 THR 24 4.449 -1.663 2.171
168 2HG2 THR 24 HG22 THR 24 2.789 -2.046 2.606
169 3HG2 THR 24 HG23 THR 24 3.724 -3.181 1.646
170 H GLY 25 HN GLY 25 7.017 -0.702 3.203
171 1HA GLY 25 HA2 GLY 25 9.042 -0.842 2.053
172 2HA GLY 25 HA1 GLY 25 8.874 -2.583 1.943
173 H CYS 26 HN CYS 26 6.150 -2.484 0.945
174 HA CYS 26 HA CYS 26 6.758 -2.134 -1.824
175 1HB CYS 26 HB2 CYS 26 5.518 -4.061 -1.076
176 2HB CYS 26 HB1 CYS 26 4.271 -3.068 -0.408
177 HA PRO 27 HA PRO 27 4.713 1.909 -1.815
178 1HB PRO 27 HB2 PRO 27 5.570 2.742 -4.204
179 2HB PRO 27 HB1 PRO 27 6.695 2.560 -2.861
180 1HG PRO 27 HG2 PRO 27 6.224 0.740 -5.176
181 2HG PRO 27 HG1 PRO 27 7.751 1.209 -4.409
182 1HD PRO 27 HD2 PRO 27 6.365 -1.153 -3.920
183 2HD PRO 27 HD1 PRO 27 7.597 -0.443 -2.857
184 H ASN 28 HN ASN 28 3.656 -0.804 -3.113
185 HA ASN 28 HA ASN 28 1.880 0.362 -5.096
186 1HB ASN 28 HB2 ASN 28 2.406 -2.557 -4.533
187 2HB ASN 28 HB1 ASN 28 1.471 -1.877 -5.824
188 1HD2 ASN 28 HD21 ASN 28 2.457 -0.861 -7.552
189 2HD2 ASN 28 HD22 ASN 28 4.142 -1.070 -7.870
190 H ALA 29 HN ALA 29 0.166 1.178 -4.064
191 HA ALA 29 HA ALA 29 -1.444 -0.599 -2.370
192 1HB ALA 29 HB1 ALA 29 -1.473 0.798 -0.626
193 2HB ALA 29 HB2 ALA 29 -1.597 2.238 -1.637
194 3HB ALA 29 HB3 ALA 29 -0.030 1.508 -1.338
195 H LYS 30 HN LYS 30 -3.704 -0.006 -2.255
196 HA LYS 30 HA LYS 30 -4.658 1.887 -4.266
197 1HB LYS 30 HB2 LYS 30 -5.437 -1.033 -4.184
198 2HB LYS 30 HB1 LYS 30 -6.431 0.182 -4.978
199 1HG LYS 30 HG2 LYS 30 -3.581 -0.473 -5.677
200 2HG LYS 30 HG1 LYS 30 -5.002 -1.053 -6.543
201 1HD LYS 30 HD2 LYS 30 -5.590 1.163 -7.222
202 2HD LYS 30 HD1 LYS 30 -4.352 1.882 -6.201
203 1HE LYS 30 HE2 LYS 30 -3.853 0.108 -8.581
204 2HE LYS 30 HE1 LYS 30 -3.668 1.860 -8.530
205 1HZ LYS 30 HZ1 LYS 30 -1.538 0.950 -8.239
206 2HZ LYS 30 HZ2 LYS 30 -2.061 -0.170 -7.095
207 3HZ LYS 30 HZ3 LYS 30 -2.002 1.474 -6.700
208 H CYS 31 HN CYS 31 -6.823 2.552 -3.953
209 HA CYS 31 HA CYS 31 -7.443 2.549 -1.080
210 1HB CYS 31 HB2 CYS 31 -8.625 4.583 -1.553
211 2HB CYS 31 HB1 CYS 31 -6.976 4.693 -2.113
212 H ILE 32 HN ILE 32 -8.791 0.861 -0.646
213 HA ILE 32 HA ILE 32 -11.418 0.924 -1.986
214 HB ILE 32 HB ILE 32 -11.412 -1.654 -1.701
215 1HG1 ILE 32 HG12 ILE 32 -9.016 -2.529 -2.225
216 2HG1 ILE 32 HG11 ILE 32 -8.448 -1.044 -1.494
217 1HG2 ILE 32 HG21 ILE 32 -10.517 -1.966 -3.935
218 2HG2 ILE 32 HG22 ILE 32 -9.762 -0.372 -3.866
219 3HG2 ILE 32 HG23 ILE 32 -11.519 -0.518 -3.837
220 1HD1 ILE 32 HD11 ILE 32 -8.744 -3.280 -0.149
221 2HD1 ILE 32 HD12 ILE 32 -10.396 -2.694 0.034
222 3HD1 ILE 32 HD13 ILE 32 -9.040 -1.713 0.595
223 H ASN 33 HN ASN 33 -13.173 0.520 -0.716
224 HA ASN 33 HA ASN 33 -14.407 0.529 1.187
225 1HB ASN 33 HB2 ASN 33 -12.286 -1.479 1.987
226 2HB ASN 33 HB1 ASN 33 -13.788 -1.228 2.871
227 1HD2 ASN 33 HD21 ASN 33 -12.708 -3.591 1.424
228 2HD2 ASN 33 HD22 ASN 33 -13.960 -4.025 0.316
229 H LYS 34 HN LYS 34 -12.748 2.697 1.052
230 HA LYS 34 HA LYS 34 -11.776 4.361 2.206
231 1HB LYS 34 HB2 LYS 34 -13.266 3.060 4.486
232 2HB LYS 34 HB1 LYS 34 -12.412 4.570 4.639
233 1HG LYS 34 HG2 LYS 34 -13.872 5.463 2.780
234 2HG LYS 34 HG1 LYS 34 -14.792 3.966 2.919
235 1HD LYS 34 HD2 LYS 34 -16.000 5.423 4.250
236 2HD LYS 34 HD1 LYS 34 -15.009 4.573 5.431
237 1HE LYS 34 HE2 LYS 34 -14.325 7.268 4.237
238 2HE LYS 34 HE1 LYS 34 -15.153 7.039 5.773
239 1HZ LYS 34 HZ1 LYS 34 -13.175 5.754 6.521
240 2HZ LYS 34 HZ2 LYS 34 -12.880 7.385 6.218
241 3HZ LYS 34 HZ3 LYS 34 -12.397 6.235 5.124
242 H SER 35 HN SER 35 -10.358 1.734 1.982
243 HA SER 35 HA SER 35 -8.398 2.191 4.120
244 1HB SER 35 HB2 SER 35 -9.185 -0.515 3.016
245 2HB SER 35 HB1 SER 35 -8.070 -0.174 4.343
246 HG SER 35 HG SER 35 -10.268 -0.796 4.952
247 H CYS 36 HN CYS 36 -6.430 2.565 3.375
248 HA CYS 36 HA CYS 36 -5.789 2.132 0.565
249 1HB CYS 36 HB2 CYS 36 -4.959 4.154 1.614
250 2HB CYS 36 HB1 CYS 36 -4.147 3.215 2.863
251 H LYS 37 HN LYS 37 -5.760 -0.072 0.276
252 HA LYS 37 HA LYS 37 -4.248 -1.712 2.154
253 1HB LYS 37 HB2 LYS 37 -6.471 -2.426 1.272
254 2HB LYS 37 HB1 LYS 37 -5.741 -2.589 -0.321
255 1HG LYS 37 HG2 LYS 37 -4.122 -4.229 0.686
256 2HG LYS 37 HG1 LYS 37 -5.040 -4.111 2.185
257 1HD LYS 37 HD2 LYS 37 -5.754 -6.061 1.011
258 2HD LYS 37 HD1 LYS 37 -7.058 -4.876 0.946
259 1HE LYS 37 HE2 LYS 37 -6.529 -4.317 -1.313
260 2HE LYS 37 HE1 LYS 37 -5.036 -5.257 -1.264
261 1HZ LYS 37 HZ1 LYS 37 -6.779 -6.431 -2.425
262 2HZ LYS 37 HZ2 LYS 37 -7.788 -6.360 -1.071
263 3HZ LYS 37 HZ3 LYS 37 -6.357 -7.265 -1.016
264 H CYS 38 HN CYS 38 -2.225 -2.275 1.848
265 HA CYS 38 HA CYS 38 -0.861 -1.699 -0.664
266 1HB CYS 38 HB2 CYS 38 0.136 -2.849 1.952
267 2HB CYS 38 HB1 CYS 38 1.151 -2.387 0.590
268 H TYR 39 HN TYR 39 0.378 -3.367 -1.775
269 HA TYR 39 HA TYR 39 -1.194 -5.766 -2.066
270 1HB TYR 39 HB2 TYR 39 1.386 -4.983 -3.381
271 2HB TYR 39 HB1 TYR 39 0.411 -6.349 -3.859
272 HD1 TYR 39 HD1 TYR 39 -1.919 -3.898 -3.068
273 HD2 TYR 39 HD2 TYR 39 1.057 -4.787 -5.994
274 HE1 TYR 39 HE1 TYR 39 -3.049 -2.434 -4.655
275 HE2 TYR 39 HE2 TYR 39 -0.083 -3.321 -7.591
276 HH TYR 39 HH TYR 39 -2.870 -2.475 -7.656
277 H GLY 40 HN GLY 40 1.158 -4.964 0.127
278 1HA GLY 40 HA2 GLY 40 2.299 -6.167 1.646
279 2HA GLY 40 HA1 GLY 40 1.418 -7.585 1.098
280 H CYS 41 HN CYS 41 3.626 -5.492 -0.701
281 HA CYS 41 HA CYS 41 5.071 -7.843 -1.653
282 1HB CYS 41 HB2 CYS 41 6.077 -5.182 -2.466
283 2HB CYS 41 HB1 CYS 41 5.649 -6.587 -3.394
Start of MODEL 14
1 1H TRP 1 HT1 TRP 1 2.596 1.127 14.148
2 2H TRP 1 HT2 TRP 1 4.224 1.218 13.605
3 3H TRP 1 HT3 TRP 1 3.227 -0.076 13.099
4 HA TRP 1 HA TRP 1 3.486 1.482 11.359
5 1HB TRP 1 HB2 TRP 1 0.749 1.495 12.660
6 2HB TRP 1 HB1 TRP 1 1.049 2.058 11.019
7 HD1 TRP 1 HD1 TRP 1 2.000 0.134 9.273
8 HE1 TRP 1 HE1 TRP 1 1.407 -2.362 9.133
9 HE3 TRP 1 HE3 TRP 1 0.098 -0.495 13.964
10 HZ2 TRP 1 HZ2 TRP 1 0.275 -4.339 10.795
11 HZ3 TRP 1 HZ3 TRP 1 -0.722 -2.722 14.612
12 HH2 TRP 1 HH2 TRP 1 -0.635 -4.603 13.062
13 H CYS 2 HN CYS 2 3.167 3.591 10.563
14 HA CYS 2 HA CYS 2 3.620 5.673 12.545
15 1HB CYS 2 HB2 CYS 2 4.390 7.030 10.748
16 2HB CYS 2 HB1 CYS 2 5.075 5.431 10.513
17 H SER 3 HN SER 3 2.456 7.674 12.498
18 HA SER 3 HA SER 3 -0.361 7.275 12.376
19 1HB SER 3 HB2 SER 3 1.159 9.878 12.699
20 2HB SER 3 HB1 SER 3 -0.508 9.550 13.180
21 HG SER 3 HG SER 3 1.041 9.410 14.915
22 H THR 4 HN THR 4 1.989 8.465 10.123
23 HA THR 4 HA THR 4 0.082 9.871 8.475
24 HB THR 4 HB THR 4 2.893 8.985 7.725
25 HG1 THR 4 HG1 THR 4 2.050 11.383 9.059
26 1HG2 THR 4 HG21 THR 4 2.786 11.003 6.292
27 2HG2 THR 4 HG22 THR 4 1.092 11.204 6.736
28 3HG2 THR 4 HG23 THR 4 1.608 9.776 5.837
29 H CYS 5 HN CYS 5 1.027 6.623 8.911
30 HA CYS 5 HA CYS 5 -0.076 5.864 6.308
31 1HB CYS 5 HB2 CYS 5 1.081 3.655 6.761
32 2HB CYS 5 HB1 CYS 5 2.097 5.004 6.382
33 H LEU 6 HN LEU 6 -1.573 6.618 8.716
34 HA LEU 6 HA LEU 6 -2.864 4.057 9.367
35 1HB LEU 6 HB2 LEU 6 -2.087 5.412 11.262
36 2HB LEU 6 HB1 LEU 6 -3.075 6.749 10.720
37 HG LEU 6 HG LEU 6 -5.106 5.346 11.079
38 1HD1 LEU 6 HD11 LEU 6 -4.128 3.146 10.819
39 2HD1 LEU 6 HD12 LEU 6 -4.883 3.287 12.401
40 3HD1 LEU 6 HD13 LEU 6 -3.128 3.393 12.250
41 1HD2 LEU 6 HD21 LEU 6 -4.337 6.910 12.788
42 2HD2 LEU 6 HD22 LEU 6 -3.321 5.649 13.490
43 3HD2 LEU 6 HD23 LEU 6 -5.077 5.480 13.505
44 H ASP 7 HN ASP 7 -3.976 7.445 9.049
45 HA ASP 7 HA ASP 7 -6.428 6.451 7.783
46 1HB ASP 7 HB2 ASP 7 -5.664 9.059 9.081
47 2HB ASP 7 HB1 ASP 7 -7.108 8.925 8.082
48 H LEU 8 HN LEU 8 -5.888 6.045 5.680
49 HA LEU 8 HA LEU 8 -5.247 8.441 4.059
50 1HB LEU 8 HB2 LEU 8 -4.321 5.596 3.594
51 2HB LEU 8 HB1 LEU 8 -4.228 6.852 2.382
52 HG LEU 8 HG LEU 8 -2.073 6.681 3.237
53 1HD1 LEU 8 HD11 LEU 8 -1.618 8.826 4.164
54 2HD1 LEU 8 HD12 LEU 8 -3.269 8.998 4.741
55 3HD1 LEU 8 HD13 LEU 8 -2.938 8.996 3.012
56 1HD2 LEU 8 HD21 LEU 8 -2.940 7.055 6.080
57 2HD2 LEU 8 HD22 LEU 8 -1.451 6.440 5.415
58 3HD2 LEU 8 HD23 LEU 8 -2.889 5.449 5.350
59 H ALA 9 HN ALA 9 -7.802 7.436 4.907
60 HA ALA 9 HA ALA 9 -9.092 5.695 3.249
61 1HB ALA 9 HB1 ALA 9 -10.302 8.156 4.505
62 2HB ALA 9 HB2 ALA 9 -10.036 6.610 5.308
63 3HB ALA 9 HB3 ALA 9 -11.175 6.719 3.966
64 H CYS 10 HN CYS 10 -8.247 6.043 1.180
65 HA CYS 10 HA CYS 10 -8.094 6.825 -0.929
66 1HB CYS 10 HB2 CYS 10 -10.991 7.390 -0.302
67 2HB CYS 10 HB1 CYS 10 -10.308 7.662 -1.908
68 H THR 11 HN THR 11 -6.814 8.348 0.655
69 HA THR 11 HA THR 11 -7.491 11.141 0.227
70 HB THR 11 HB THR 11 -5.069 11.450 1.088
71 HG1 THR 11 HG1 THR 11 -5.333 8.704 1.801
72 1HG2 THR 11 HG21 THR 11 -5.679 10.988 3.398
73 2HG2 THR 11 HG22 THR 11 -7.041 10.007 2.859
74 3HG2 THR 11 HG23 THR 11 -7.018 11.742 2.532
75 H GLY 12 HN GLY 12 -5.533 8.605 -1.174
76 1HA GLY 12 HA2 GLY 12 -5.517 9.323 -3.730
77 2HA GLY 12 HA1 GLY 12 -4.269 10.390 -3.095
78 H SER 13 HN SER 13 -4.508 7.719 -4.776
79 HA SER 13 HA SER 13 -2.990 5.747 -3.506
80 1HB SER 13 HB2 SER 13 -4.144 5.414 -5.653
81 2HB SER 13 HB1 SER 13 -3.029 6.529 -6.438
82 HG SER 13 HG SER 13 -2.544 4.230 -6.671
83 H LYS 14 HN LYS 14 -2.001 8.616 -5.301
84 HA LYS 14 HA LYS 14 0.767 8.241 -5.226
85 1HB LYS 14 HB2 LYS 14 0.912 10.675 -5.597
86 2HB LYS 14 HB1 LYS 14 -0.135 9.836 -6.728
87 1HG LYS 14 HG2 LYS 14 -2.108 10.559 -5.497
88 2HG LYS 14 HG1 LYS 14 -1.088 11.368 -4.309
89 1HD LYS 14 HD2 LYS 14 -1.204 12.026 -7.258
90 2HD LYS 14 HD1 LYS 14 -2.047 12.908 -5.984
91 1HE LYS 14 HE2 LYS 14 0.085 13.483 -4.951
92 2HE LYS 14 HE1 LYS 14 0.949 12.585 -6.196
93 1HZ LYS 14 HZ1 LYS 14 -0.747 14.968 -6.662
94 2HZ LYS 14 HZ2 LYS 14 0.078 14.093 -7.856
95 3HZ LYS 14 HZ3 LYS 14 0.944 14.926 -6.667
96 H ASP 15 HN ASP 15 -1.441 9.287 -2.795
97 HA ASP 15 HA ASP 15 0.685 10.250 -1.056
98 1HB ASP 15 HB2 ASP 15 -2.310 10.306 -0.969
99 2HB ASP 15 HB1 ASP 15 -1.420 10.428 0.546
100 H CYS 16 HN CYS 16 -1.023 7.365 -1.717
101 HA CYS 16 HA CYS 16 -0.604 6.187 0.886
102 1HB CYS 16 HB2 CYS 16 -1.480 4.980 -1.742
103 2HB CYS 16 HB1 CYS 16 -1.409 4.110 -0.212
104 H TYR 17 HN TYR 17 1.045 6.319 -2.206
105 HA TYR 17 HA TYR 17 2.655 4.143 -2.213
106 1HB TYR 17 HB2 TYR 17 3.426 6.976 -2.920
107 2HB TYR 17 HB1 TYR 17 4.385 5.569 -3.365
108 HD1 TYR 17 HD1 TYR 17 1.703 3.885 -3.928
109 HD2 TYR 17 HD2 TYR 17 3.254 7.621 -5.272
110 HE1 TYR 17 HE1 TYR 17 0.439 3.651 -5.992
111 HE2 TYR 17 HE2 TYR 17 1.970 7.392 -7.349
112 HH TYR 17 HH TYR 17 -0.488 5.717 -7.818
113 H ALA 18 HN ALA 18 3.750 7.204 -0.757
114 HA ALA 18 HA ALA 18 6.120 6.163 0.280
115 1HB ALA 18 HB1 ALA 18 5.729 8.242 1.951
116 2HB ALA 18 HB2 ALA 18 4.576 8.645 0.679
117 3HB ALA 18 HB3 ALA 18 6.270 8.394 0.283
118 HA PRO 19 HA PRO 19 3.788 5.638 4.630
119 1HB PRO 19 HB2 PRO 19 1.083 5.110 3.443
120 2HB PRO 19 HB1 PRO 19 1.527 5.863 4.955
121 1HG PRO 19 HG2 PRO 19 0.710 7.353 2.980
122 2HG PRO 19 HG1 PRO 19 2.054 7.883 4.010
123 1HD PRO 19 HD2 PRO 19 2.136 6.751 1.260
124 2HD PRO 19 HD1 PRO 19 3.094 8.025 1.982
125 H CYS 20 HN CYS 20 2.726 3.934 1.675
126 HA CYS 20 HA CYS 20 2.555 1.384 2.964
127 1HB CYS 20 HB2 CYS 20 2.663 2.213 0.064
128 2HB CYS 20 HB1 CYS 20 2.604 0.517 0.549
129 H ARG 21 HN ARG 21 5.119 3.131 1.290
130 HA ARG 21 HA ARG 21 7.011 1.001 1.267
131 1HB ARG 21 HB2 ARG 21 7.370 3.107 0.011
132 2HB ARG 21 HB1 ARG 21 7.519 3.981 1.528
133 1HG ARG 21 HG2 ARG 21 9.401 2.030 1.884
134 2HG ARG 21 HG1 ARG 21 9.430 2.229 0.137
135 1HD ARG 21 HD2 ARG 21 9.641 4.522 2.063
136 2HD ARG 21 HD1 ARG 21 11.037 3.640 1.453
137 HE ARG 21 HE ARG 21 9.744 4.382 -0.816
138 1HH1 ARG 21 HH11 ARG 21 10.797 6.173 2.026
139 2HH1 ARG 21 HH12 ARG 21 11.182 7.585 1.120
140 1HH2 ARG 21 HH21 ARG 21 10.285 6.262 -1.983
141 2HH2 ARG 21 HH22 ARG 21 10.899 7.648 -1.142
142 H LYS 22 HN LYS 22 6.095 3.486 3.602
143 HA LYS 22 HA LYS 22 7.981 2.885 5.564
144 1HB LYS 22 HB2 LYS 22 5.567 4.487 5.337
145 2HB LYS 22 HB1 LYS 22 5.627 3.722 6.909
146 1HG LYS 22 HG2 LYS 22 7.959 5.281 5.812
147 2HG LYS 22 HG1 LYS 22 6.614 6.048 6.651
148 1HD LYS 22 HD2 LYS 22 8.290 5.672 8.280
149 2HD LYS 22 HD1 LYS 22 7.030 4.478 8.580
150 1HE LYS 22 HE2 LYS 22 8.416 2.837 7.310
151 2HE LYS 22 HE1 LYS 22 9.678 4.038 7.203
152 1HZ LYS 22 HZ1 LYS 22 8.534 2.866 9.679
153 2HZ LYS 22 HZ2 LYS 22 9.768 4.024 9.619
154 3HZ LYS 22 HZ3 LYS 22 10.030 2.476 8.992
155 H GLN 23 HN GLN 23 4.703 1.650 5.045
156 HA GLN 23 HA GLN 23 4.594 0.032 7.355
157 1HB GLN 23 HB2 GLN 23 3.144 -0.149 4.717
158 2HB GLN 23 HB1 GLN 23 2.792 -1.208 6.078
159 1HG GLN 23 HG2 GLN 23 2.250 0.802 7.420
160 2HG GLN 23 HG1 GLN 23 2.465 1.777 5.983
161 1HE2 GLN 23 HE21 GLN 23 0.293 2.443 6.001
162 2HE2 GLN 23 HE22 GLN 23 -0.979 1.385 5.575
163 H THR 24 HN THR 24 5.110 -0.989 3.962
164 HA THR 24 HA THR 24 6.177 -3.525 5.047
165 HB THR 24 HB THR 24 5.259 -4.506 2.965
166 HG1 THR 24 HG1 THR 24 4.069 -3.285 1.574
167 1HG2 THR 24 HG21 THR 24 3.266 -3.069 4.655
168 2HG2 THR 24 HG22 THR 24 3.998 -4.635 5.009
169 3HG2 THR 24 HG23 THR 24 2.935 -4.454 3.615
170 H GLY 25 HN GLY 25 7.080 -0.856 3.077
171 1HA GLY 25 HA2 GLY 25 9.355 -0.650 2.370
172 2HA GLY 25 HA1 GLY 25 9.430 -2.384 2.119
173 H CYS 26 HN CYS 26 6.727 -2.371 0.848
174 HA CYS 26 HA CYS 26 7.623 -1.572 -1.794
175 1HB CYS 26 HB2 CYS 26 5.357 -3.314 -0.899
176 2HB CYS 26 HB1 CYS 26 5.641 -2.891 -2.566
177 HA PRO 27 HA PRO 27 5.062 2.011 -1.312
178 1HB PRO 27 HB2 PRO 27 5.899 3.361 -3.445
179 2HB PRO 27 HB1 PRO 27 7.014 2.934 -2.146
180 1HG PRO 27 HG2 PRO 27 6.640 1.622 -4.804
181 2HG PRO 27 HG1 PRO 27 8.142 2.007 -3.945
182 1HD PRO 27 HD2 PRO 27 6.885 -0.477 -3.954
183 2HD PRO 27 HD1 PRO 27 8.083 0.079 -2.767
184 H ASN 28 HN ASN 28 3.981 -0.434 -3.103
185 HA ASN 28 HA ASN 28 2.257 1.160 -4.871
186 1HB ASN 28 HB2 ASN 28 2.889 -1.774 -4.688
187 2HB ASN 28 HB1 ASN 28 1.467 -1.215 -5.564
188 1HD2 ASN 28 HD21 ASN 28 1.736 0.037 -7.429
189 2HD2 ASN 28 HD22 ASN 28 3.240 0.053 -8.278
190 H ALA 29 HN ALA 29 0.069 1.308 -4.642
191 HA ALA 29 HA ALA 29 -1.347 -0.212 -2.620
192 1HB ALA 29 HB1 ALA 29 -1.539 1.310 -0.993
193 2HB ALA 29 HB2 ALA 29 -1.566 2.687 -2.093
194 3HB ALA 29 HB3 ALA 29 -0.038 1.937 -1.667
195 H LYS 30 HN LYS 30 -3.523 -0.169 -2.859
196 HA LYS 30 HA LYS 30 -4.720 1.783 -4.730
197 1HB LYS 30 HB2 LYS 30 -5.464 -1.145 -4.515
198 2HB LYS 30 HB1 LYS 30 -6.298 0.063 -5.490
199 1HG LYS 30 HG2 LYS 30 -4.067 0.374 -6.702
200 2HG LYS 30 HG1 LYS 30 -3.564 -1.100 -5.882
201 1HD LYS 30 HD2 LYS 30 -5.911 -0.792 -7.752
202 2HD LYS 30 HD1 LYS 30 -4.392 -1.614 -8.108
203 1HE LYS 30 HE2 LYS 30 -4.874 -3.265 -6.371
204 2HE LYS 30 HE1 LYS 30 -6.388 -2.445 -5.994
205 1HZ LYS 30 HZ1 LYS 30 -6.758 -4.336 -7.414
206 2HZ LYS 30 HZ2 LYS 30 -5.720 -3.708 -8.592
207 3HZ LYS 30 HZ3 LYS 30 -7.168 -2.910 -8.225
208 H CYS 31 HN CYS 31 -6.833 2.453 -4.112
209 HA CYS 31 HA CYS 31 -7.191 2.090 -1.241
210 1HB CYS 31 HB2 CYS 31 -6.923 4.368 -2.125
211 2HB CYS 31 HB1 CYS 31 -8.424 4.177 -3.029
212 H ILE 32 HN ILE 32 -8.846 1.161 -0.315
213 HA ILE 32 HA ILE 32 -11.186 0.360 -1.932
214 HB ILE 32 HB ILE 32 -10.017 -0.708 0.651
215 1HG1 ILE 32 HG12 ILE 32 -10.295 -2.900 -0.575
216 2HG1 ILE 32 HG11 ILE 32 -10.770 -1.974 -1.996
217 1HG2 ILE 32 HG21 ILE 32 -12.796 -1.186 -0.401
218 2HG2 ILE 32 HG22 ILE 32 -12.332 -0.511 1.156
219 3HG2 ILE 32 HG23 ILE 32 -12.010 -2.198 0.810
220 1HD1 ILE 32 HD11 ILE 32 -8.154 -1.497 -0.626
221 2HD1 ILE 32 HD12 ILE 32 -8.635 -1.108 -2.274
222 3HD1 ILE 32 HD13 ILE 32 -8.366 -2.786 -1.807
223 H ASN 33 HN ASN 33 -13.245 0.843 -1.074
224 HA ASN 33 HA ASN 33 -13.553 3.485 -0.222
225 1HB ASN 33 HB2 ASN 33 -15.997 2.879 -0.016
226 2HB ASN 33 HB1 ASN 33 -15.237 2.468 -1.547
227 1HD2 ASN 33 HD21 ASN 33 -16.865 0.933 -1.955
228 2HD2 ASN 33 HD22 ASN 33 -16.866 -0.595 -1.149
229 H LYS 34 HN LYS 34 -12.023 2.821 1.786
230 HA LYS 34 HA LYS 34 -13.244 3.614 4.084
231 1HB LYS 34 HB2 LYS 34 -13.255 1.531 5.471
232 2HB LYS 34 HB1 LYS 34 -14.485 1.594 4.230
233 1HG LYS 34 HG2 LYS 34 -13.199 0.096 2.827
234 2HG LYS 34 HG1 LYS 34 -11.888 0.077 4.004
235 1HD LYS 34 HD2 LYS 34 -13.331 -1.927 4.137
236 2HD LYS 34 HD1 LYS 34 -13.323 -0.991 5.631
237 1HE LYS 34 HE2 LYS 34 -15.563 -1.739 5.078
238 2HE LYS 34 HE1 LYS 34 -15.483 0.010 5.015
239 1HZ LYS 34 HZ1 LYS 34 -15.379 -0.094 2.623
240 2HZ LYS 34 HZ2 LYS 34 -16.709 -0.987 3.155
241 3HZ LYS 34 HZ3 LYS 34 -15.308 -1.786 2.649
242 H SER 35 HN SER 35 -10.679 1.812 2.548
243 HA SER 35 HA SER 35 -8.705 3.118 4.209
244 1HB SER 35 HB2 SER 35 -9.005 0.096 4.245
245 2HB SER 35 HB1 SER 35 -7.652 0.993 4.938
246 HG SER 35 HG SER 35 -9.136 0.539 6.547
247 H CYS 36 HN CYS 36 -6.789 3.331 3.156
248 HA CYS 36 HA CYS 36 -6.628 2.389 0.420
249 1HB CYS 36 HB2 CYS 36 -5.806 4.658 1.259
250 2HB CYS 36 HB1 CYS 36 -4.437 3.801 1.950
251 H LYS 37 HN LYS 37 -5.770 0.482 -0.107
252 HA LYS 37 HA LYS 37 -4.406 -1.022 2.020
253 1HB LYS 37 HB2 LYS 37 -6.638 -1.633 0.763
254 2HB LYS 37 HB1 LYS 37 -5.566 -2.279 -0.452
255 1HG LYS 37 HG2 LYS 37 -5.415 -3.029 2.472
256 2HG LYS 37 HG1 LYS 37 -6.475 -3.855 1.333
257 1HD LYS 37 HD2 LYS 37 -3.479 -3.639 1.087
258 2HD LYS 37 HD1 LYS 37 -4.351 -5.041 1.679
259 1HE LYS 37 HE2 LYS 37 -5.506 -5.227 -0.489
260 2HE LYS 37 HE1 LYS 37 -4.565 -3.867 -1.093
261 1HZ LYS 37 HZ1 LYS 37 -2.555 -5.132 -0.776
262 2HZ LYS 37 HZ2 LYS 37 -3.630 -5.973 -1.769
263 3HZ LYS 37 HZ3 LYS 37 -3.434 -6.439 -0.156
264 H CYS 38 HN CYS 38 -2.330 -1.530 1.825
265 HA CYS 38 HA CYS 38 -0.853 -0.714 -0.510
266 1HB CYS 38 HB2 CYS 38 0.099 -2.231 1.935
267 2HB CYS 38 HB1 CYS 38 1.109 -1.398 0.755
268 H TYR 39 HN TYR 39 0.588 -2.129 -1.686
269 HA TYR 39 HA TYR 39 -0.931 -4.325 -2.677
270 1HB TYR 39 HB2 TYR 39 1.089 -2.603 -3.629
271 2HB TYR 39 HB1 TYR 39 1.753 -4.210 -3.780
272 HD1 TYR 39 HD1 TYR 39 1.047 -5.632 -5.527
273 HD2 TYR 39 HD2 TYR 39 -1.159 -2.089 -4.678
274 HE1 TYR 39 HE1 TYR 39 -0.251 -5.951 -7.585
275 HE2 TYR 39 HE2 TYR 39 -2.452 -2.409 -6.742
276 HH TYR 39 HH TYR 39 -1.711 -3.954 -9.175
277 H GLY 40 HN GLY 40 0.706 -4.499 0.046
278 1HA GLY 40 HA2 GLY 40 1.394 -6.300 1.235
279 2HA GLY 40 HA1 GLY 40 1.202 -7.304 -0.194
280 H CYS 41 HN CYS 41 3.400 -6.815 1.905
281 HA CYS 41 HA CYS 41 5.580 -7.310 0.144
282 1HB CYS 41 HB2 CYS 41 5.182 -4.753 0.070
283 2HB CYS 41 HB1 CYS 41 5.844 -4.725 1.644
Start of MODEL 15
1 1H TRP 1 HT1 TRP 1 1.053 -0.867 10.044
2 2H TRP 1 HT2 TRP 1 -0.155 -0.181 11.054
3 3H TRP 1 HT3 TRP 1 0.173 -1.853 11.132
4 HA TRP 1 HA TRP 1 1.068 -0.487 12.954
5 1HB TRP 1 HB2 TRP 1 3.238 -1.671 12.974
6 2HB TRP 1 HB1 TRP 1 1.915 -2.724 12.494
7 HD1 TRP 1 HD1 TRP 1 5.036 -1.008 11.062
8 HE1 TRP 1 HE1 TRP 1 5.681 -2.187 8.870
9 HE3 TRP 1 HE3 TRP 1 0.983 -4.093 10.572
10 HZ2 TRP 1 HZ2 TRP 1 4.618 -4.162 7.159
11 HZ3 TRP 1 HZ3 TRP 1 0.879 -5.596 8.627
12 HH2 TRP 1 HH2 TRP 1 2.659 -5.627 6.957
13 H CYS 2 HN CYS 2 0.890 1.390 10.662
14 HA CYS 2 HA CYS 2 3.561 2.529 10.479
15 1HB CYS 2 HB2 CYS 2 2.157 2.400 8.485
16 2HB CYS 2 HB1 CYS 2 0.943 3.388 9.253
17 H SER 3 HN SER 3 4.191 3.689 12.195
18 HA SER 3 HA SER 3 2.366 4.922 14.004
19 1HB SER 3 HB2 SER 3 5.359 5.298 13.766
20 2HB SER 3 HB1 SER 3 4.357 5.681 15.171
21 HG SER 3 HG SER 3 4.034 3.546 15.534
22 H THR 4 HN THR 4 3.879 6.034 11.097
23 HA THR 4 HA THR 4 3.321 8.840 11.786
24 HB THR 4 HB THR 4 5.549 8.406 10.835
25 HG1 THR 4 HG1 THR 4 4.784 10.406 10.306
26 1HG2 THR 4 HG21 THR 4 5.791 7.715 8.506
27 2HG2 THR 4 HG22 THR 4 4.061 7.423 8.396
28 3HG2 THR 4 HG23 THR 4 5.055 6.447 9.475
29 H CYS 5 HN CYS 5 1.460 6.461 10.880
30 HA CYS 5 HA CYS 5 0.088 7.969 8.749
31 1HB CYS 5 HB2 CYS 5 0.016 5.017 9.348
32 2HB CYS 5 HB1 CYS 5 -0.905 5.821 8.095
33 H LEU 6 HN LEU 6 -1.353 9.201 9.827
34 HA LEU 6 HA LEU 6 -2.815 8.155 12.115
35 1HB LEU 6 HB2 LEU 6 -1.974 10.560 11.731
36 2HB LEU 6 HB1 LEU 6 -3.347 10.763 10.669
37 HG LEU 6 HG LEU 6 -3.579 9.971 13.581
38 1HD1 LEU 6 HD11 LEU 6 -2.554 12.180 13.363
39 2HD1 LEU 6 HD12 LEU 6 -4.192 12.294 14.000
40 3HD1 LEU 6 HD13 LEU 6 -3.874 12.695 12.311
41 1HD2 LEU 6 HD21 LEU 6 -5.929 10.838 13.238
42 2HD2 LEU 6 HD22 LEU 6 -5.550 9.332 12.421
43 3HD2 LEU 6 HD23 LEU 6 -5.593 10.839 11.506
44 H ASP 7 HN ASP 7 -3.760 9.557 8.964
45 HA ASP 7 HA ASP 7 -5.717 7.416 8.611
46 1HB ASP 7 HB2 ASP 7 -6.985 9.216 9.748
47 2HB ASP 7 HB1 ASP 7 -6.527 10.340 8.472
48 H LEU 8 HN LEU 8 -5.776 6.785 6.537
49 HA LEU 8 HA LEU 8 -4.745 8.648 4.479
50 1HB LEU 8 HB2 LEU 8 -4.112 5.707 4.709
51 2HB LEU 8 HB1 LEU 8 -3.597 6.767 3.405
52 HG LEU 8 HG LEU 8 -2.755 7.091 6.292
53 1HD1 LEU 8 HD11 LEU 8 -1.299 5.841 3.963
54 2HD1 LEU 8 HD12 LEU 8 -1.880 5.012 5.408
55 3HD1 LEU 8 HD13 LEU 8 -0.594 6.203 5.530
56 1HD2 LEU 8 HD21 LEU 8 -1.070 8.603 5.363
57 2HD2 LEU 8 HD22 LEU 8 -2.698 9.165 4.998
58 3HD2 LEU 8 HD23 LEU 8 -1.743 8.370 3.748
59 H ALA 9 HN ALA 9 -7.418 7.639 5.443
60 HA ALA 9 HA ALA 9 -8.490 5.721 3.793
61 1HB ALA 9 HB1 ALA 9 -9.917 8.055 5.057
62 2HB ALA 9 HB2 ALA 9 -9.519 6.530 5.847
63 3HB ALA 9 HB3 ALA 9 -10.659 6.552 4.503
64 H CYS 10 HN CYS 10 -7.645 6.176 1.722
65 HA CYS 10 HA CYS 10 -7.621 6.942 -0.393
66 1HB CYS 10 HB2 CYS 10 -10.502 7.446 0.345
67 2HB CYS 10 HB1 CYS 10 -9.887 7.864 -1.252
68 H THR 11 HN THR 11 -6.351 8.469 1.279
69 HA THR 11 HA THR 11 -7.088 11.257 0.950
70 HB THR 11 HB THR 11 -5.856 10.565 2.975
71 HG1 THR 11 HG1 THR 11 -5.397 12.656 2.422
72 1HG2 THR 11 HG21 THR 11 -4.560 8.724 2.255
73 2HG2 THR 11 HG22 THR 11 -3.426 9.974 2.723
74 3HG2 THR 11 HG23 THR 11 -3.737 9.667 1.025
75 H GLY 12 HN GLY 12 -5.881 8.886 -1.005
76 1HA GLY 12 HA2 GLY 12 -5.543 9.790 -3.329
77 2HA GLY 12 HA1 GLY 12 -4.196 10.673 -2.615
78 H SER 13 HN SER 13 -4.447 8.341 -4.609
79 HA SER 13 HA SER 13 -3.312 6.078 -3.334
80 1HB SER 13 HB2 SER 13 -2.598 5.534 -5.780
81 2HB SER 13 HB1 SER 13 -4.315 5.629 -5.390
82 HG SER 13 HG SER 13 -2.714 7.490 -6.768
83 H LYS 14 HN LYS 14 -1.850 8.760 -5.165
84 HA LYS 14 HA LYS 14 0.814 7.878 -4.708
85 1HB LYS 14 HB2 LYS 14 1.512 10.028 -5.601
86 2HB LYS 14 HB1 LYS 14 0.292 9.276 -6.621
87 1HG LYS 14 HG2 LYS 14 -1.422 10.725 -5.676
88 2HG LYS 14 HG1 LYS 14 -0.225 11.462 -4.609
89 1HD LYS 14 HD2 LYS 14 1.033 12.222 -6.589
90 2HD LYS 14 HD1 LYS 14 -0.216 11.527 -7.627
91 1HE LYS 14 HE2 LYS 14 -1.864 13.042 -6.704
92 2HE LYS 14 HE1 LYS 14 -0.675 13.692 -5.573
93 1HZ LYS 14 HZ1 LYS 14 -0.527 13.878 -8.535
94 2HZ LYS 14 HZ2 LYS 14 0.617 14.497 -7.449
95 3HZ LYS 14 HZ3 LYS 14 -0.950 15.129 -7.479
96 H ASP 15 HN ASP 15 -1.472 9.664 -2.878
97 HA ASP 15 HA ASP 15 0.440 10.894 -1.111
98 1HB ASP 15 HB2 ASP 15 -1.971 11.675 -1.565
99 2HB ASP 15 HB1 ASP 15 -2.485 10.382 -0.495
100 H CYS 16 HN CYS 16 -1.296 7.886 -1.345
101 HA CYS 16 HA CYS 16 -0.687 7.109 1.388
102 1HB CYS 16 HB2 CYS 16 -2.872 6.621 0.213
103 2HB CYS 16 HB1 CYS 16 -2.005 5.468 -0.792
104 H TYR 17 HN TYR 17 0.656 6.710 -1.794
105 HA TYR 17 HA TYR 17 2.004 4.300 -1.590
106 1HB TYR 17 HB2 TYR 17 2.727 6.884 -2.961
107 2HB TYR 17 HB1 TYR 17 3.777 5.476 -3.078
108 HD1 TYR 17 HD1 TYR 17 1.332 3.479 -3.125
109 HD2 TYR 17 HD2 TYR 17 2.384 6.945 -5.361
110 HE1 TYR 17 HE1 TYR 17 0.049 2.636 -5.029
111 HE2 TYR 17 HE2 TYR 17 1.084 6.104 -7.262
112 HH TYR 17 HH TYR 17 0.356 3.352 -7.914
113 H ALA 18 HN ALA 18 3.342 7.483 -0.736
114 HA ALA 18 HA ALA 18 5.800 6.558 0.143
115 1HB ALA 18 HB1 ALA 18 5.509 8.759 1.703
116 2HB ALA 18 HB2 ALA 18 4.266 9.044 0.484
117 3HB ALA 18 HB3 ALA 18 5.933 8.777 -0.004
118 HA PRO 19 HA PRO 19 4.019 6.340 4.753
119 1HB PRO 19 HB2 PRO 19 1.172 5.776 4.002
120 2HB PRO 19 HB1 PRO 19 1.846 6.647 5.366
121 1HG PRO 19 HG2 PRO 19 0.750 7.976 3.388
122 2HG PRO 19 HG1 PRO 19 2.214 8.575 4.194
123 1HD PRO 19 HD2 PRO 19 1.940 7.229 1.557
124 2HD PRO 19 HD1 PRO 19 2.986 8.544 2.047
125 H CYS 20 HN CYS 20 2.317 4.475 2.217
126 HA CYS 20 HA CYS 20 2.326 2.012 3.598
127 1HB CYS 20 HB2 CYS 20 0.884 2.380 1.680
128 2HB CYS 20 HB1 CYS 20 2.278 2.592 0.632
129 H ARG 21 HN ARG 21 4.650 3.478 1.346
130 HA ARG 21 HA ARG 21 6.386 1.247 1.186
131 1HB ARG 21 HB2 ARG 21 6.369 3.290 -0.329
132 2HB ARG 21 HB1 ARG 21 7.216 4.153 0.951
133 1HG ARG 21 HG2 ARG 21 8.982 2.329 0.819
134 2HG ARG 21 HG1 ARG 21 8.160 1.775 -0.642
135 1HD ARG 21 HD2 ARG 21 9.934 3.185 -1.332
136 2HD ARG 21 HD1 ARG 21 8.439 4.095 -1.559
137 HE ARG 21 HE ARG 21 9.691 4.575 0.991
138 1HH1 ARG 21 HH11 ARG 21 9.711 5.524 -2.402
139 2HH1 ARG 21 HH12 ARG 21 10.396 7.069 -2.068
140 1HH2 ARG 21 HH21 ARG 21 10.613 6.613 1.386
141 2HH2 ARG 21 HH22 ARG 21 10.913 7.691 0.064
142 H LYS 22 HN LYS 22 6.175 4.002 3.400
143 HA LYS 22 HA LYS 22 8.554 3.452 4.844
144 1HB LYS 22 HB2 LYS 22 7.432 5.615 5.002
145 2HB LYS 22 HB1 LYS 22 6.008 4.853 5.689
146 1HG LYS 22 HG2 LYS 22 7.235 5.912 7.439
147 2HG LYS 22 HG1 LYS 22 7.356 4.171 7.654
148 1HD LYS 22 HD2 LYS 22 9.592 4.303 6.466
149 2HD LYS 22 HD1 LYS 22 9.432 6.058 6.545
150 1HE LYS 22 HE2 LYS 22 10.793 5.331 8.368
151 2HE LYS 22 HE1 LYS 22 9.245 5.858 9.024
152 1HZ LYS 22 HZ1 LYS 22 10.104 3.760 9.979
153 2HZ LYS 22 HZ2 LYS 22 9.934 3.016 8.471
154 3HZ LYS 22 HZ3 LYS 22 8.571 3.599 9.289
155 H GLN 23 HN GLN 23 5.219 2.340 5.121
156 HA GLN 23 HA GLN 23 5.559 1.089 7.652
157 1HB GLN 23 HB2 GLN 23 3.388 1.862 6.891
158 2HB GLN 23 HB1 GLN 23 3.448 0.742 5.540
159 1HG GLN 23 HG2 GLN 23 3.409 -1.149 7.091
160 2HG GLN 23 HG1 GLN 23 3.377 -0.030 8.449
161 1HE2 GLN 23 HE21 GLN 23 1.569 0.534 5.472
162 2HE2 GLN 23 HE22 GLN 23 0.037 0.275 6.191
163 H THR 24 HN THR 24 5.230 -0.319 4.360
164 HA THR 24 HA THR 24 6.374 -2.814 5.476
165 HB THR 24 HB THR 24 3.949 -3.005 5.072
166 HG1 THR 24 HG1 THR 24 4.124 -4.948 4.094
167 1HG2 THR 24 HG21 THR 24 4.491 -1.500 2.738
168 2HG2 THR 24 HG22 THR 24 2.954 -2.135 3.302
169 3HG2 THR 24 HG23 THR 24 3.952 -3.091 2.214
170 H GLY 25 HN GLY 25 7.345 -0.397 3.599
171 1HA GLY 25 HA2 GLY 25 9.176 -0.347 2.205
172 2HA GLY 25 HA1 GLY 25 9.193 -2.098 2.184
173 H CYS 26 HN CYS 26 6.188 -1.816 1.381
174 HA CYS 26 HA CYS 26 6.734 -2.060 -1.406
175 1HB CYS 26 HB2 CYS 26 5.260 -3.598 -0.227
176 2HB CYS 26 HB1 CYS 26 4.156 -2.315 0.127
177 HA PRO 27 HA PRO 27 5.326 2.173 -2.128
178 1HB PRO 27 HB2 PRO 27 6.201 2.400 -4.651
179 2HB PRO 27 HB1 PRO 27 7.319 2.353 -3.286
180 1HG PRO 27 HG2 PRO 27 6.604 0.187 -5.209
181 2HG PRO 27 HG1 PRO 27 8.180 0.595 -4.510
182 1HD PRO 27 HD2 PRO 27 6.500 -1.415 -3.618
183 2HD PRO 27 HD1 PRO 27 7.816 -0.700 -2.682
184 H ASN 28 HN ASN 28 3.796 -0.537 -2.868
185 HA ASN 28 HA ASN 28 1.975 0.680 -4.804
186 1HB ASN 28 HB2 ASN 28 2.766 -2.180 -4.376
187 2HB ASN 28 HB1 ASN 28 1.227 -1.782 -5.080
188 1HD2 ASN 28 HD21 ASN 28 1.112 -0.858 -7.113
189 2HD2 ASN 28 HD22 ASN 28 2.480 -0.853 -8.168
190 H ALA 29 HN ALA 29 0.564 1.665 -3.531
191 HA ALA 29 HA ALA 29 -1.012 0.055 -1.672
192 1HB ALA 29 HB1 ALA 29 -1.050 1.667 -0.091
193 2HB ALA 29 HB2 ALA 29 -0.886 2.992 -1.245
194 3HB ALA 29 HB3 ALA 29 0.519 2.041 -0.789
195 H LYS 30 HN LYS 30 -3.077 -0.118 -2.283
196 HA LYS 30 HA LYS 30 -4.143 1.949 -4.117
197 1HB LYS 30 HB2 LYS 30 -3.667 -0.255 -5.179
198 2HB LYS 30 HB1 LYS 30 -4.830 -0.988 -4.083
199 1HG LYS 30 HG2 LYS 30 -6.635 0.260 -5.045
200 2HG LYS 30 HG1 LYS 30 -5.516 1.235 -6.001
201 1HD LYS 30 HD2 LYS 30 -6.508 -0.431 -7.420
202 2HD LYS 30 HD1 LYS 30 -4.801 -0.815 -7.197
203 1HE LYS 30 HE2 LYS 30 -5.571 -2.393 -5.330
204 2HE LYS 30 HE1 LYS 30 -7.198 -2.135 -5.952
205 1HZ LYS 30 HZ1 LYS 30 -6.481 -2.994 -8.079
206 2HZ LYS 30 HZ2 LYS 30 -6.162 -4.115 -6.854
207 3HZ LYS 30 HZ3 LYS 30 -4.900 -3.196 -7.503
208 H CYS 31 HN CYS 31 -5.735 3.081 -3.228
209 HA CYS 31 HA CYS 31 -7.023 2.105 -0.839
210 1HB CYS 31 HB2 CYS 31 -6.365 4.502 -1.153
211 2HB CYS 31 HB1 CYS 31 -7.663 4.649 -2.333
212 H ILE 32 HN ILE 32 -8.501 0.594 -1.112
213 HA ILE 32 HA ILE 32 -10.646 1.108 -3.072
214 HB ILE 32 HB ILE 32 -10.940 -1.490 -2.963
215 1HG1 ILE 32 HG12 ILE 32 -8.632 -2.594 -2.932
216 2HG1 ILE 32 HG11 ILE 32 -8.040 -1.169 -2.109
217 1HG2 ILE 32 HG21 ILE 32 -9.539 -1.744 -4.934
218 2HG2 ILE 32 HG22 ILE 32 -8.725 -0.224 -4.561
219 3HG2 ILE 32 HG23 ILE 32 -10.440 -0.229 -4.971
220 1HD1 ILE 32 HD11 ILE 32 -8.777 -3.289 -0.803
221 2HD1 ILE 32 HD12 ILE 32 -10.401 -2.633 -1.004
222 3HD1 ILE 32 HD13 ILE 32 -9.161 -1.692 -0.172
223 H ASN 33 HN ASN 33 -12.721 0.780 -2.397
224 HA ASN 33 HA ASN 33 -14.446 0.793 -0.932
225 1HB ASN 33 HB2 ASN 33 -12.691 -1.094 0.664
226 2HB ASN 33 HB1 ASN 33 -14.410 -0.835 0.920
227 1HD2 ASN 33 HD21 ASN 33 -15.891 -1.672 -0.571
228 2HD2 ASN 33 HD22 ASN 33 -15.425 -2.884 -1.709
229 H LYS 34 HN LYS 34 -12.246 2.735 -0.699
230 HA LYS 34 HA LYS 34 -11.738 4.523 0.526
231 1HB LYS 34 HB2 LYS 34 -13.841 3.550 2.414
232 2HB LYS 34 HB1 LYS 34 -13.010 5.080 2.571
233 1HG LYS 34 HG2 LYS 34 -13.873 5.771 0.379
234 2HG LYS 34 HG1 LYS 34 -14.786 4.263 0.280
235 1HD LYS 34 HD2 LYS 34 -15.083 6.338 2.462
236 2HD LYS 34 HD1 LYS 34 -16.146 6.176 1.064
237 1HE LYS 34 HE2 LYS 34 -16.833 3.981 1.774
238 2HE LYS 34 HE1 LYS 34 -15.680 3.992 3.103
239 1HZ LYS 34 HZ1 LYS 34 -17.995 5.816 2.822
240 2HZ LYS 34 HZ2 LYS 34 -16.872 5.835 4.091
241 3HZ LYS 34 HZ3 LYS 34 -17.881 4.496 3.874
242 H SER 35 HN SER 35 -10.437 1.855 0.941
243 HA SER 35 HA SER 35 -8.998 2.613 3.387
244 1HB SER 35 HB2 SER 35 -9.975 -0.174 2.719
245 2HB SER 35 HB1 SER 35 -8.832 0.204 4.009
246 HG SER 35 HG SER 35 -10.869 0.120 4.899
247 H CYS 36 HN CYS 36 -6.845 2.570 3.163
248 HA CYS 36 HA CYS 36 -5.654 1.988 0.621
249 1HB CYS 36 HB2 CYS 36 -4.658 2.912 3.279
250 2HB CYS 36 HB1 CYS 36 -3.493 2.211 2.165
251 H LYS 37 HN LYS 37 -5.376 -0.029 -0.082
252 HA LYS 37 HA LYS 37 -4.494 -2.076 1.862
253 1HB LYS 37 HB2 LYS 37 -6.620 -2.578 0.741
254 2HB LYS 37 HB1 LYS 37 -5.831 -2.461 -0.818
255 1HG LYS 37 HG2 LYS 37 -4.714 -4.364 1.203
256 2HG LYS 37 HG1 LYS 37 -6.239 -4.778 0.434
257 1HD LYS 37 HD2 LYS 37 -3.725 -4.073 -1.099
258 2HD LYS 37 HD1 LYS 37 -4.203 -5.708 -0.681
259 1HE LYS 37 HE2 LYS 37 -5.895 -3.808 -2.305
260 2HE LYS 37 HE1 LYS 37 -4.836 -5.042 -2.971
261 1HZ LYS 37 HZ1 LYS 37 -6.137 -6.702 -1.670
262 2HZ LYS 37 HZ2 LYS 37 -7.004 -5.926 -2.897
263 3HZ LYS 37 HZ3 LYS 37 -7.235 -5.468 -1.290
264 H CYS 38 HN CYS 38 -2.417 -2.513 1.770
265 HA CYS 38 HA CYS 38 -0.848 -1.736 -0.568
266 1HB CYS 38 HB2 CYS 38 -0.085 -2.739 2.177
267 2HB CYS 38 HB1 CYS 38 1.084 -2.380 0.913
268 H TYR 39 HN TYR 39 0.402 -3.156 -1.762
269 HA TYR 39 HA TYR 39 -0.675 -5.832 -1.999
270 1HB TYR 39 HB2 TYR 39 1.559 -4.406 -3.454
271 2HB TYR 39 HB1 TYR 39 1.032 -6.040 -3.839
272 HD1 TYR 39 HD1 TYR 39 -0.226 -2.538 -3.619
273 HD2 TYR 39 HD2 TYR 39 -0.701 -6.373 -5.376
274 HE1 TYR 39 HE1 TYR 39 -1.876 -1.601 -5.148
275 HE2 TYR 39 HE2 TYR 39 -2.371 -5.448 -6.922
276 HH TYR 39 HH TYR 39 -2.711 -2.672 -7.809
277 H GLY 40 HN GLY 40 1.696 -4.437 -0.062
278 1HA GLY 40 HA2 GLY 40 2.950 -5.477 1.532
279 2HA GLY 40 HA1 GLY 40 2.600 -7.034 0.798
280 H CYS 41 HN CYS 41 3.515 -6.628 -1.781
281 HA CYS 41 HA CYS 41 5.332 -6.824 -3.048
282 1HB CYS 41 HB2 CYS 41 6.294 -4.625 -1.226
283 2HB CYS 41 HB1 CYS 41 7.209 -5.192 -2.581
Start of MODEL 16
1 1H TRP 1 HT1 TRP 1 5.985 5.405 14.155
2 2H TRP 1 HT2 TRP 1 6.228 3.717 14.027
3 3H TRP 1 HT3 TRP 1 4.797 4.425 13.397
4 HA TRP 1 HA TRP 1 7.565 4.817 12.457
5 1HB TRP 1 HB2 TRP 1 5.154 3.463 11.214
6 2HB TRP 1 HB1 TRP 1 6.655 3.793 10.354
7 HD1 TRP 1 HD1 TRP 1 8.794 2.309 11.007
8 HE1 TRP 1 HE1 TRP 1 8.984 0.004 12.129
9 HE3 TRP 1 HE3 TRP 1 4.086 1.972 12.976
10 HZ2 TRP 1 HZ2 TRP 1 7.359 -1.728 13.655
11 HZ3 TRP 1 HZ3 TRP 1 3.485 -0.044 14.251
12 HH2 TRP 1 HH2 TRP 1 5.088 -1.853 14.583
13 H CYS 2 HN CYS 2 4.154 5.372 11.568
14 HA CYS 2 HA CYS 2 4.941 7.693 10.003
15 1HB CYS 2 HB2 CYS 2 3.314 6.139 9.075
16 2HB CYS 2 HB1 CYS 2 2.262 6.384 10.459
17 H SER 3 HN SER 3 3.969 9.783 10.287
18 HA SER 3 HA SER 3 4.085 10.821 12.846
19 1HB SER 3 HB2 SER 3 2.801 12.777 11.818
20 2HB SER 3 HB1 SER 3 4.275 12.288 10.985
21 HG SER 3 HG SER 3 2.664 12.525 9.463
22 H THR 4 HN THR 4 1.152 10.135 10.938
23 HA THR 4 HA THR 4 -0.262 9.600 13.472
24 HB THR 4 HB THR 4 -2.372 10.377 12.255
25 HG1 THR 4 HG1 THR 4 -2.155 11.540 10.414
26 1HG2 THR 4 HG21 THR 4 -1.340 11.709 14.016
27 2HG2 THR 4 HG22 THR 4 -1.999 12.734 12.741
28 3HG2 THR 4 HG23 THR 4 -0.261 12.453 12.834
29 H CYS 5 HN CYS 5 -1.275 9.283 10.086
30 HA CYS 5 HA CYS 5 -2.112 7.546 8.937
31 1HB CYS 5 HB2 CYS 5 0.349 6.350 10.177
32 2HB CYS 5 HB1 CYS 5 -0.586 5.499 8.966
33 H LEU 6 HN LEU 6 -3.891 7.700 10.647
34 HA LEU 6 HA LEU 6 -4.188 5.331 12.314
35 1HB LEU 6 HB2 LEU 6 -5.170 7.498 12.979
36 2HB LEU 6 HB1 LEU 6 -6.165 7.490 11.537
37 HG LEU 6 HG LEU 6 -7.300 5.434 12.380
38 1HD1 LEU 6 HD11 LEU 6 -5.678 5.968 14.868
39 2HD1 LEU 6 HD12 LEU 6 -5.535 4.567 13.806
40 3HD1 LEU 6 HD13 LEU 6 -7.009 4.817 14.735
41 1HD2 LEU 6 HD21 LEU 6 -8.622 6.569 14.076
42 2HD2 LEU 6 HD22 LEU 6 -8.263 7.651 12.733
43 3HD2 LEU 6 HD23 LEU 6 -7.370 7.801 14.248
44 H ASP 7 HN ASP 7 -5.887 6.747 9.533
45 HA ASP 7 HA ASP 7 -5.871 4.234 8.143
46 1HB ASP 7 HB2 ASP 7 -7.882 4.007 9.633
47 2HB ASP 7 HB1 ASP 7 -8.588 5.407 8.831
48 H LEU 8 HN LEU 8 -5.466 4.775 6.102
49 HA LEU 8 HA LEU 8 -5.856 7.556 5.291
50 1HB LEU 8 HB2 LEU 8 -4.404 5.287 3.931
51 2HB LEU 8 HB1 LEU 8 -4.373 6.961 3.438
52 HG LEU 8 HG LEU 8 -3.231 5.828 5.986
53 1HD1 LEU 8 HD11 LEU 8 -1.098 6.434 5.050
54 2HD1 LEU 8 HD12 LEU 8 -1.870 7.082 3.602
55 3HD1 LEU 8 HD13 LEU 8 -1.938 5.351 3.947
56 1HD2 LEU 8 HD21 LEU 8 -2.346 8.119 6.346
57 2HD2 LEU 8 HD22 LEU 8 -4.098 8.029 6.454
58 3HD2 LEU 8 HD23 LEU 8 -3.339 8.682 5.001
59 H ALA 9 HN ALA 9 -8.272 6.364 5.443
60 HA ALA 9 HA ALA 9 -9.271 4.933 3.341
61 1HB ALA 9 HB1 ALA 9 -10.581 6.999 5.082
62 2HB ALA 9 HB2 ALA 9 -10.613 5.249 5.252
63 3HB ALA 9 HB3 ALA 9 -11.482 6.012 3.930
64 H CYS 10 HN CYS 10 -8.233 5.676 1.474
65 HA CYS 10 HA CYS 10 -8.026 6.757 -0.483
66 1HB CYS 10 HB2 CYS 10 -10.867 7.483 0.229
67 2HB CYS 10 HB1 CYS 10 -10.119 8.090 -1.240
68 H THR 11 HN THR 11 -6.573 7.868 1.332
69 HA THR 11 HA THR 11 -6.969 10.769 1.275
70 HB THR 11 HB THR 11 -4.656 10.810 2.299
71 HG1 THR 11 HG1 THR 11 -3.632 8.928 2.728
72 1HG2 THR 11 HG21 THR 11 -6.640 10.843 3.724
73 2HG2 THR 11 HG22 THR 11 -5.329 9.932 4.473
74 3HG2 THR 11 HG23 THR 11 -6.678 9.078 3.725
75 H GLY 12 HN GLY 12 -6.104 8.397 -0.843
76 1HA GLY 12 HA2 GLY 12 -5.509 9.146 -3.090
77 2HA GLY 12 HA1 GLY 12 -4.238 10.109 -2.347
78 H SER 13 HN SER 13 -4.579 7.447 -4.087
79 HA SER 13 HA SER 13 -3.241 5.431 -2.647
80 1HB SER 13 HB2 SER 13 -3.187 5.934 -5.637
81 2HB SER 13 HB1 SER 13 -2.796 4.417 -4.824
82 HG SER 13 HG SER 13 -5.293 5.661 -5.169
83 H LYS 14 HN LYS 14 -2.025 8.025 -4.713
84 HA LYS 14 HA LYS 14 0.717 7.414 -4.461
85 1HB LYS 14 HB2 LYS 14 1.071 9.795 -5.174
86 2HB LYS 14 HB1 LYS 14 0.084 8.809 -6.246
87 1HG LYS 14 HG2 LYS 14 -1.947 9.811 -5.182
88 2HG LYS 14 HG1 LYS 14 -0.871 10.879 -4.283
89 1HD LYS 14 HD2 LYS 14 -0.028 11.804 -6.362
90 2HD LYS 14 HD1 LYS 14 -1.023 10.680 -7.292
91 1HE LYS 14 HE2 LYS 14 -3.042 11.696 -6.315
92 2HE LYS 14 HE1 LYS 14 -2.023 12.844 -5.442
93 1HZ LYS 14 HZ1 LYS 14 -2.196 12.579 -8.396
94 2HZ LYS 14 HZ2 LYS 14 -1.220 13.683 -7.559
95 3HZ LYS 14 HZ3 LYS 14 -2.903 13.801 -7.464
96 H ASP 15 HN ASP 15 -1.522 8.942 -2.339
97 HA ASP 15 HA ASP 15 0.433 10.155 -0.616
98 1HB ASP 15 HB2 ASP 15 -1.876 10.996 -0.657
99 2HB ASP 15 HB1 ASP 15 -2.471 9.443 -0.105
100 H CYS 16 HN CYS 16 -1.577 7.231 -0.590
101 HA CYS 16 HA CYS 16 -0.625 6.114 1.801
102 1HB CYS 16 HB2 CYS 16 -1.671 4.732 -0.678
103 2HB CYS 16 HB1 CYS 16 -1.452 3.958 0.889
104 H TYR 17 HN TYR 17 0.751 6.193 -1.420
105 HA TYR 17 HA TYR 17 2.509 4.067 -1.345
106 1HB TYR 17 HB2 TYR 17 2.795 6.808 -2.569
107 2HB TYR 17 HB1 TYR 17 4.012 5.566 -2.800
108 HD1 TYR 17 HD1 TYR 17 2.831 6.719 -5.147
109 HD2 TYR 17 HD2 TYR 17 1.350 3.532 -2.729
110 HE1 TYR 17 HE1 TYR 17 1.582 5.823 -7.065
111 HE2 TYR 17 HE2 TYR 17 0.123 2.682 -4.640
112 HH TYR 17 HH TYR 17 0.608 3.032 -7.494
113 H ALA 18 HN ALA 18 2.955 7.254 0.124
114 HA ALA 18 HA ALA 18 5.670 6.905 0.741
115 1HB ALA 18 HB1 ALA 18 4.738 8.643 2.694
116 2HB ALA 18 HB2 ALA 18 3.630 8.872 1.344
117 3HB ALA 18 HB3 ALA 18 5.361 9.055 1.101
118 HA PRO 19 HA PRO 19 4.540 5.472 5.189
119 1HB PRO 19 HB2 PRO 19 1.670 4.826 5.211
120 2HB PRO 19 HB1 PRO 19 2.610 5.839 6.310
121 1HG PRO 19 HG2 PRO 19 0.833 6.871 4.580
122 2HG PRO 19 HG1 PRO 19 2.310 7.729 5.040
123 1HD PRO 19 HD2 PRO 19 1.738 6.142 2.600
124 2HD PRO 19 HD1 PRO 19 2.513 7.703 2.738
125 H CYS 20 HN CYS 20 2.811 4.116 2.456
126 HA CYS 20 HA CYS 20 2.686 1.435 3.325
127 1HB CYS 20 HB2 CYS 20 1.482 2.392 1.341
128 2HB CYS 20 HB1 CYS 20 3.007 2.411 0.466
129 H ARG 21 HN ARG 21 5.058 3.152 1.279
130 HA ARG 21 HA ARG 21 6.914 1.015 1.134
131 1HB ARG 21 HB2 ARG 21 7.015 2.886 -0.393
132 2HB ARG 21 HB1 ARG 21 7.309 4.005 0.921
133 1HG ARG 21 HG2 ARG 21 9.462 2.894 1.364
134 2HG ARG 21 HG1 ARG 21 9.160 1.811 0.004
135 1HD ARG 21 HD2 ARG 21 9.111 3.693 -1.501
136 2HD ARG 21 HD1 ARG 21 9.340 4.820 -0.165
137 HE ARG 21 HE ARG 21 11.514 3.396 0.154
138 1HH1 ARG 21 HH11 ARG 21 10.110 4.521 -2.868
139 2HH1 ARG 21 HH12 ARG 21 11.629 4.583 -3.668
140 1HH2 ARG 21 HH21 ARG 21 13.511 3.506 -0.936
141 2HH2 ARG 21 HH22 ARG 21 13.557 4.020 -2.590
142 H LYS 22 HN LYS 22 6.704 3.851 3.236
143 HA LYS 22 HA LYS 22 9.003 3.529 4.719
144 1HB LYS 22 HB2 LYS 22 7.525 5.506 4.716
145 2HB LYS 22 HB1 LYS 22 6.341 4.608 5.651
146 1HG LYS 22 HG2 LYS 22 7.846 4.474 7.527
147 2HG LYS 22 HG1 LYS 22 9.123 5.255 6.588
148 1HD LYS 22 HD2 LYS 22 7.763 7.278 6.403
149 2HD LYS 22 HD1 LYS 22 6.462 6.498 7.306
150 1HE LYS 22 HE2 LYS 22 7.722 7.972 8.750
151 2HE LYS 22 HE1 LYS 22 7.946 6.298 9.250
152 1HZ LYS 22 HZ1 LYS 22 10.005 7.635 9.236
153 2HZ LYS 22 HZ2 LYS 22 9.877 7.801 7.559
154 3HZ LYS 22 HZ3 LYS 22 10.097 6.269 8.247
155 H GLN 23 HN GLN 23 5.835 1.997 5.259
156 HA GLN 23 HA GLN 23 6.884 0.719 7.691
157 1HB GLN 23 HB2 GLN 23 4.084 0.907 6.586
158 2HB GLN 23 HB1 GLN 23 4.522 0.082 8.080
159 1HG GLN 23 HG2 GLN 23 5.326 2.180 9.019
160 2HG GLN 23 HG1 GLN 23 4.917 3.014 7.521
161 1HE2 GLN 23 HE21 GLN 23 3.660 1.461 10.377
162 2HE2 GLN 23 HE22 GLN 23 2.058 2.091 10.232
163 H THR 24 HN THR 24 5.232 -0.217 4.661
164 HA THR 24 HA THR 24 5.520 -3.017 5.341
165 HB THR 24 HB THR 24 4.177 -3.519 3.482
166 HG1 THR 24 HG1 THR 24 4.140 -2.350 1.631
167 1HG2 THR 24 HG21 THR 24 3.271 -0.703 4.060
168 2HG2 THR 24 HG22 THR 24 3.057 -2.023 5.206
169 3HG2 THR 24 HG23 THR 24 2.298 -2.098 3.620
170 H GLY 25 HN GLY 25 7.242 -0.686 3.385
171 1HA GLY 25 HA2 GLY 25 9.493 -1.080 2.739
172 2HA GLY 25 HA1 GLY 25 9.161 -2.798 2.611
173 H CYS 26 HN CYS 26 6.525 -2.034 1.245
174 HA CYS 26 HA CYS 26 7.697 -1.596 -1.402
175 1HB CYS 26 HB2 CYS 26 5.274 -3.170 -0.555
176 2HB CYS 26 HB1 CYS 26 5.681 -2.830 -2.234
177 HA PRO 27 HA PRO 27 5.171 2.082 -1.380
178 1HB PRO 27 HB2 PRO 27 6.070 3.171 -3.616
179 2HB PRO 27 HB1 PRO 27 7.194 2.829 -2.306
180 1HG PRO 27 HG2 PRO 27 6.683 1.238 -4.783
181 2HG PRO 27 HG1 PRO 27 8.231 1.698 -4.049
182 1HD PRO 27 HD2 PRO 27 6.968 -0.744 -3.685
183 2HD PRO 27 HD1 PRO 27 8.186 -0.046 -2.597
184 H ASN 28 HN ASN 28 4.029 -0.525 -2.669
185 HA ASN 28 HA ASN 28 2.370 0.777 -4.721
186 1HB ASN 28 HB2 ASN 28 3.162 -2.103 -4.342
187 2HB ASN 28 HB1 ASN 28 1.832 -1.620 -5.393
188 1HD2 ASN 28 HD21 ASN 28 2.742 -2.224 -7.307
189 2HD2 ASN 28 HD22 ASN 28 4.154 -1.473 -7.959
190 H ALA 29 HN ALA 29 0.557 1.452 -3.893
191 HA ALA 29 HA ALA 29 -1.129 -0.326 -2.316
192 1HB ALA 29 HB1 ALA 29 -1.736 1.515 -0.813
193 2HB ALA 29 HB2 ALA 29 -0.552 2.555 -1.608
194 3HB ALA 29 HB3 ALA 29 -0.026 1.141 -0.720
195 H LYS 30 HN LYS 30 -3.407 0.534 -2.206
196 HA LYS 30 HA LYS 30 -4.205 2.469 -4.181
197 1HB LYS 30 HB2 LYS 30 -3.814 0.489 -5.615
198 2HB LYS 30 HB1 LYS 30 -4.928 -0.441 -4.628
199 1HG LYS 30 HG2 LYS 30 -6.008 0.243 -6.657
200 2HG LYS 30 HG1 LYS 30 -6.760 1.066 -5.292
201 1HD LYS 30 HD2 LYS 30 -5.419 3.064 -5.797
202 2HD LYS 30 HD1 LYS 30 -4.704 2.239 -7.174
203 1HE LYS 30 HE2 LYS 30 -7.650 2.801 -6.818
204 2HE LYS 30 HE1 LYS 30 -6.542 3.790 -7.766
205 1HZ LYS 30 HZ1 LYS 30 -7.708 2.298 -9.201
206 2HZ LYS 30 HZ2 LYS 30 -7.252 0.955 -8.284
207 3HZ LYS 30 HZ3 LYS 30 -6.085 1.823 -9.152
208 H CYS 31 HN CYS 31 -6.260 3.262 -3.764
209 HA CYS 31 HA CYS 31 -7.544 2.195 -1.367
210 1HB CYS 31 HB2 CYS 31 -7.066 4.657 -1.596
211 2HB CYS 31 HB1 CYS 31 -8.309 4.700 -2.844
212 H ILE 32 HN ILE 32 -8.794 0.503 -1.820
213 HA ILE 32 HA ILE 32 -10.847 0.888 -3.913
214 HB ILE 32 HB ILE 32 -10.858 -1.805 -3.679
215 1HG1 ILE 32 HG12 ILE 32 -8.429 -2.524 -3.830
216 2HG1 ILE 32 HG11 ILE 32 -7.980 -0.973 -3.152
217 1HG2 ILE 32 HG21 ILE 32 -9.632 -1.871 -5.771
218 2HG2 ILE 32 HG22 ILE 32 -9.052 -0.226 -5.498
219 3HG2 ILE 32 HG23 ILE 32 -10.774 -0.528 -5.739
220 1HD1 ILE 32 HD11 ILE 32 -8.457 -3.253 -1.758
221 2HD1 ILE 32 HD12 ILE 32 -9.997 -2.436 -1.593
222 3HD1 ILE 32 HD13 ILE 32 -8.515 -1.640 -1.082
223 H ASN 33 HN ASN 33 -12.895 0.832 -3.273
224 HA ASN 33 HA ASN 33 -14.713 0.771 -1.925
225 1HB ASN 33 HB2 ASN 33 -13.222 -1.429 -0.458
226 2HB ASN 33 HB1 ASN 33 -14.908 -1.011 -0.212
227 1HD2 ASN 33 HD21 ASN 33 -13.601 -3.507 -1.122
228 2HD2 ASN 33 HD22 ASN 33 -14.379 -3.879 -2.618
229 H LYS 34 HN LYS 34 -12.572 2.594 -1.450
230 HA LYS 34 HA LYS 34 -11.967 4.186 -0.013
231 1HB LYS 34 HB2 LYS 34 -14.057 3.038 1.798
232 2HB LYS 34 HB1 LYS 34 -13.108 4.461 2.178
233 1HG LYS 34 HG2 LYS 34 -13.988 5.450 0.009
234 2HG LYS 34 HG1 LYS 34 -15.140 4.108 -0.001
235 1HD LYS 34 HD2 LYS 34 -15.978 4.793 2.184
236 2HD LYS 34 HD1 LYS 34 -14.800 6.107 2.240
237 1HE LYS 34 HE2 LYS 34 -15.858 6.982 0.117
238 2HE LYS 34 HE1 LYS 34 -17.136 5.791 0.371
239 1HZ LYS 34 HZ1 LYS 34 -17.735 7.946 1.259
240 2HZ LYS 34 HZ2 LYS 34 -16.378 7.949 2.267
241 3HZ LYS 34 HZ3 LYS 34 -17.612 6.812 2.508
242 H SER 35 HN SER 35 -11.173 1.111 0.259
243 HA SER 35 HA SER 35 -9.668 1.372 2.753
244 1HB SER 35 HB2 SER 35 -11.097 -0.649 2.437
245 2HB SER 35 HB1 SER 35 -10.110 -1.094 1.050
246 HG SER 35 HG SER 35 -9.433 -2.122 2.982
247 H CYS 36 HN CYS 36 -7.828 2.478 2.275
248 HA CYS 36 HA CYS 36 -6.395 1.952 -0.192
249 1HB CYS 36 HB2 CYS 36 -6.589 4.231 1.023
250 2HB CYS 36 HB1 CYS 36 -5.321 3.605 2.069
251 H LYS 37 HN LYS 37 -5.708 -0.115 -0.152
252 HA LYS 37 HA LYS 37 -4.194 -1.024 2.212
253 1HB LYS 37 HB2 LYS 37 -4.642 -3.259 1.456
254 2HB LYS 37 HB1 LYS 37 -6.149 -2.352 1.511
255 1HG LYS 37 HG2 LYS 37 -6.403 -2.305 -0.737
256 2HG LYS 37 HG1 LYS 37 -4.686 -2.441 -1.088
257 1HD LYS 37 HD2 LYS 37 -4.750 -4.785 -0.309
258 2HD LYS 37 HD1 LYS 37 -6.497 -4.625 -0.085
259 1HE LYS 37 HE2 LYS 37 -6.787 -4.170 -2.436
260 2HE LYS 37 HE1 LYS 37 -5.045 -4.179 -2.687
261 1HZ LYS 37 HZ1 LYS 37 -6.045 -6.250 -3.361
262 2HZ LYS 37 HZ2 LYS 37 -6.675 -6.498 -1.812
263 3HZ LYS 37 HZ3 LYS 37 -4.998 -6.502 -2.057
264 H CYS 38 HN CYS 38 -2.352 -2.375 1.880
265 HA CYS 38 HA CYS 38 -0.769 -1.670 -0.516
266 1HB CYS 38 HB2 CYS 38 0.066 -2.647 2.223
267 2HB CYS 38 HB1 CYS 38 1.171 -2.451 0.868
268 H TYR 39 HN TYR 39 0.062 -3.301 -1.771
269 HA TYR 39 HA TYR 39 -1.376 -5.800 -1.658
270 1HB TYR 39 HB2 TYR 39 0.794 -4.828 -3.532
271 2HB TYR 39 HB1 TYR 39 -0.123 -6.317 -3.745
272 HD1 TYR 39 HD1 TYR 39 -2.461 -6.261 -4.424
273 HD2 TYR 39 HD2 TYR 39 -0.249 -2.655 -3.936
274 HE1 TYR 39 HE1 TYR 39 -4.212 -5.026 -5.624
275 HE2 TYR 39 HE2 TYR 39 -1.994 -1.415 -5.133
276 HH TYR 39 HH TYR 39 -4.975 -2.388 -5.566
277 H GLY 40 HN GLY 40 1.417 -4.710 -0.166
278 1HA GLY 40 HA2 GLY 40 2.738 -5.869 1.278
279 2HA GLY 40 HA1 GLY 40 2.074 -7.382 0.678
280 H CYS 41 HN CYS 41 4.564 -7.691 1.036
281 HA CYS 41 HA CYS 41 5.941 -7.101 -1.518
282 1HB CYS 41 HB2 CYS 41 7.122 -7.546 1.232
283 2HB CYS 41 HB1 CYS 41 8.036 -7.251 -0.246
Start of MODEL 17
1 1H TRP 1 HT1 TRP 1 1.884 2.039 14.472
2 2H TRP 1 HT2 TRP 1 0.803 2.455 13.207
3 3H TRP 1 HT3 TRP 1 1.615 3.681 14.085
4 HA TRP 1 HA TRP 1 3.686 3.035 13.280
5 1HB TRP 1 HB2 TRP 1 3.808 1.264 11.464
6 2HB TRP 1 HB1 TRP 1 3.510 0.684 13.093
7 HD1 TRP 1 HD1 TRP 1 1.891 0.895 9.660
8 HE1 TRP 1 HE1 TRP 1 -0.223 -0.568 9.639
9 HE3 TRP 1 HE3 TRP 1 1.630 -0.237 14.641
10 HZ2 TRP 1 HZ2 TRP 1 -1.784 -2.020 11.476
11 HZ3 TRP 1 HZ3 TRP 1 -0.208 -1.675 15.423
12 HH2 TRP 1 HH2 TRP 1 -1.878 -2.546 13.871
13 H CYS 2 HN CYS 2 0.816 2.782 11.155
14 HA CYS 2 HA CYS 2 2.005 4.787 9.387
15 1HB CYS 2 HB2 CYS 2 0.061 4.320 7.941
16 2HB CYS 2 HB1 CYS 2 1.092 2.952 8.201
17 H SER 3 HN SER 3 1.891 6.450 10.947
18 HA SER 3 HA SER 3 -0.259 7.291 12.410
19 1HB SER 3 HB2 SER 3 1.680 9.171 11.048
20 2HB SER 3 HB1 SER 3 0.856 9.395 12.596
21 HG SER 3 HG SER 3 2.154 7.887 13.512
22 H THR 4 HN THR 4 0.396 8.016 8.995
23 HA THR 4 HA THR 4 -2.254 9.316 8.852
24 HB THR 4 HB THR 4 0.031 9.804 6.914
25 HG1 THR 4 HG1 THR 4 0.709 11.450 8.190
26 1HG2 THR 4 HG21 THR 4 -1.215 11.855 6.453
27 2HG2 THR 4 HG22 THR 4 -2.438 11.393 7.634
28 3HG2 THR 4 HG23 THR 4 -2.223 10.440 6.168
29 H CYS 5 HN CYS 5 -2.424 6.668 8.731
30 HA CYS 5 HA CYS 5 -2.691 6.097 5.827
31 1HB CYS 5 HB2 CYS 5 -2.548 3.760 6.303
32 2HB CYS 5 HB1 CYS 5 -1.181 4.559 7.026
33 H LEU 6 HN LEU 6 -4.271 6.325 8.898
34 HA LEU 6 HA LEU 6 -6.589 4.861 8.137
35 1HB LEU 6 HB2 LEU 6 -7.497 5.713 10.324
36 2HB LEU 6 HB1 LEU 6 -6.020 4.776 10.384
37 HG LEU 6 HG LEU 6 -4.823 7.118 10.439
38 1HD1 LEU 6 HD11 LEU 6 -6.539 8.618 10.038
39 2HD1 LEU 6 HD12 LEU 6 -6.263 8.736 11.759
40 3HD1 LEU 6 HD13 LEU 6 -7.645 7.825 11.148
41 1HD2 LEU 6 HD21 LEU 6 -4.789 5.471 12.236
42 2HD2 LEU 6 HD22 LEU 6 -6.343 6.077 12.814
43 3HD2 LEU 6 HD23 LEU 6 -4.918 7.119 12.850
44 H ASP 7 HN ASP 7 -5.679 8.223 7.930
45 HA ASP 7 HA ASP 7 -8.447 8.904 7.133
46 1HB ASP 7 HB2 ASP 7 -7.523 10.174 9.064
47 2HB ASP 7 HB1 ASP 7 -6.228 10.766 8.032
48 H LEU 8 HN LEU 8 -6.384 7.541 5.511
49 HA LEU 8 HA LEU 8 -6.067 9.568 3.416
50 1HB LEU 8 HB2 LEU 8 -3.983 8.606 4.566
51 2HB LEU 8 HB1 LEU 8 -4.371 7.107 3.742
52 HG LEU 8 HG LEU 8 -4.145 8.274 1.566
53 1HD1 LEU 8 HD11 LEU 8 -3.471 10.482 1.366
54 2HD1 LEU 8 HD12 LEU 8 -2.980 10.609 3.049
55 3HD1 LEU 8 HD13 LEU 8 -4.678 10.580 2.624
56 1HD2 LEU 8 HD21 LEU 8 -2.259 7.081 2.571
57 2HD2 LEU 8 HD22 LEU 8 -1.761 8.563 3.390
58 3HD2 LEU 8 HD23 LEU 8 -1.735 8.472 1.635
59 H ALA 9 HN ALA 9 -8.202 7.596 4.174
60 HA ALA 9 HA ALA 9 -8.286 5.442 2.436
61 1HB ALA 9 HB1 ALA 9 -9.712 5.689 4.396
62 2HB ALA 9 HB2 ALA 9 -10.664 5.359 2.950
63 3HB ALA 9 HB3 ALA 9 -10.591 6.997 3.606
64 H CYS 10 HN CYS 10 -7.585 6.163 0.409
65 HA CYS 10 HA CYS 10 -7.814 6.794 -1.716
66 1HB CYS 10 HB2 CYS 10 -10.744 6.753 -0.967
67 2HB CYS 10 HB1 CYS 10 -10.208 7.166 -2.585
68 H THR 11 HN THR 11 -7.075 8.688 0.162
69 HA THR 11 HA THR 11 -8.340 11.192 -0.621
70 HB THR 11 HB THR 11 -5.729 10.761 0.858
71 HG1 THR 11 HG1 THR 11 -7.121 11.201 2.744
72 1HG2 THR 11 HG21 THR 11 -7.548 13.154 0.618
73 2HG2 THR 11 HG22 THR 11 -5.906 13.004 -0.011
74 3HG2 THR 11 HG23 THR 11 -6.183 13.039 1.728
75 H GLY 12 HN GLY 12 -5.644 9.150 -1.449
76 1HA GLY 12 HA2 GLY 12 -5.382 10.033 -4.047
77 2HA GLY 12 HA1 GLY 12 -4.224 10.970 -3.105
78 H SER 13 HN SER 13 -4.302 8.416 -5.039
79 HA SER 13 HA SER 13 -3.133 6.335 -3.550
80 1HB SER 13 HB2 SER 13 -2.284 5.592 -5.869
81 2HB SER 13 HB1 SER 13 -4.025 5.748 -5.636
82 HG SER 13 HG SER 13 -2.272 7.465 -7.022
83 H LYS 14 HN LYS 14 -1.671 9.033 -5.341
84 HA LYS 14 HA LYS 14 1.009 8.259 -4.971
85 1HB LYS 14 HB2 LYS 14 1.593 10.584 -5.468
86 2HB LYS 14 HB1 LYS 14 0.435 9.918 -6.608
87 1HG LYS 14 HG2 LYS 14 -1.366 11.147 -5.636
88 2HG LYS 14 HG1 LYS 14 -0.360 11.663 -4.284
89 1HD LYS 14 HD2 LYS 14 -0.606 13.466 -5.887
90 2HD LYS 14 HD1 LYS 14 1.071 12.924 -5.831
91 1HE LYS 14 HE2 LYS 14 0.623 11.543 -7.868
92 2HE LYS 14 HE1 LYS 14 -0.992 12.244 -7.926
93 1HZ LYS 14 HZ1 LYS 14 0.019 14.423 -8.197
94 2HZ LYS 14 HZ2 LYS 14 0.539 13.365 -9.409
95 3HZ LYS 14 HZ3 LYS 14 1.568 13.741 -8.121
96 H ASP 15 HN ASP 15 -1.295 9.834 -2.902
97 HA ASP 15 HA ASP 15 0.574 10.675 -0.900
98 1HB ASP 15 HB2 ASP 15 -2.408 10.166 -0.819
99 2HB ASP 15 HB1 ASP 15 -1.491 10.701 0.573
100 H CYS 16 HN CYS 16 -1.526 7.860 -1.376
101 HA CYS 16 HA CYS 16 -0.923 6.481 0.980
102 1HB CYS 16 HB2 CYS 16 -1.588 5.329 -1.731
103 2HB CYS 16 HB1 CYS 16 -1.670 4.473 -0.210
104 H TYR 17 HN TYR 17 0.835 6.683 -2.052
105 HA TYR 17 HA TYR 17 2.507 4.497 -1.849
106 1HB TYR 17 HB2 TYR 17 3.091 7.251 -2.942
107 2HB TYR 17 HB1 TYR 17 4.163 5.877 -3.172
108 HD1 TYR 17 HD1 TYR 17 1.342 4.121 -3.378
109 HD2 TYR 17 HD2 TYR 17 3.205 7.332 -5.477
110 HE1 TYR 17 HE1 TYR 17 0.138 3.487 -5.394
111 HE2 TYR 17 HE2 TYR 17 1.988 6.697 -7.509
112 HH TYR 17 HH TYR 17 -0.507 5.186 -7.777
113 H ALA 18 HN ALA 18 2.922 7.646 -0.273
114 HA ALA 18 HA ALA 18 5.562 7.163 0.580
115 1HB ALA 18 HB1 ALA 18 5.304 9.342 0.827
116 2HB ALA 18 HB2 ALA 18 4.609 8.992 2.405
117 3HB ALA 18 HB3 ALA 18 3.559 9.235 1.011
118 HA PRO 19 HA PRO 19 3.849 5.847 4.939
119 1HB PRO 19 HB2 PRO 19 1.006 5.190 4.376
120 2HB PRO 19 HB1 PRO 19 1.727 6.046 5.744
121 1HG PRO 19 HG2 PRO 19 0.322 7.335 3.877
122 2HG PRO 19 HG1 PRO 19 1.747 8.069 4.637
123 1HD PRO 19 HD2 PRO 19 1.491 6.779 1.972
124 2HD PRO 19 HD1 PRO 19 2.337 8.244 2.422
125 H CYS 20 HN CYS 20 2.471 4.454 2.001
126 HA CYS 20 HA CYS 20 2.344 1.769 2.865
127 1HB CYS 20 HB2 CYS 20 1.243 2.622 0.820
128 2HB CYS 20 HB1 CYS 20 2.818 2.832 0.064
129 H ARG 21 HN ARG 21 4.869 3.611 1.166
130 HA ARG 21 HA ARG 21 6.741 1.478 1.027
131 1HB ARG 21 HB2 ARG 21 6.787 3.630 -0.296
132 2HB ARG 21 HB1 ARG 21 7.367 4.443 1.132
133 1HG ARG 21 HG2 ARG 21 9.347 3.012 1.156
134 2HG ARG 21 HG1 ARG 21 8.748 2.178 -0.271
135 1HD ARG 21 HD2 ARG 21 10.324 3.711 -1.067
136 2HD ARG 21 HD1 ARG 21 8.753 4.411 -1.449
137 HE ARG 21 HE ARG 21 9.610 5.393 1.050
138 1HH1 ARG 21 HH11 ARG 21 10.310 5.687 -2.380
139 2HH1 ARG 21 HH12 ARG 21 11.099 7.210 -2.200
140 1HH2 ARG 21 HH21 ARG 21 10.669 7.402 1.268
141 2HH2 ARG 21 HH22 ARG 21 11.306 8.190 -0.136
142 H LYS 22 HN LYS 22 6.081 4.022 3.395
143 HA LYS 22 HA LYS 22 8.292 3.577 5.080
144 1HB LYS 22 HB2 LYS 22 6.933 5.583 5.221
145 2HB LYS 22 HB1 LYS 22 5.525 4.646 5.686
146 1HG LYS 22 HG2 LYS 22 7.973 4.496 7.402
147 2HG LYS 22 HG1 LYS 22 6.991 5.961 7.447
148 1HD LYS 22 HD2 LYS 22 5.040 4.712 8.079
149 2HD LYS 22 HD1 LYS 22 5.884 3.185 7.900
150 1HE LYS 22 HE2 LYS 22 5.759 3.709 10.219
151 2HE LYS 22 HE1 LYS 22 7.435 3.871 9.705
152 1HZ LYS 22 HZ1 LYS 22 5.523 6.123 10.048
153 2HZ LYS 22 HZ2 LYS 22 7.157 6.257 9.627
154 3HZ LYS 22 HZ3 LYS 22 6.723 5.678 11.154
155 H GLN 23 HN GLN 23 5.151 1.988 4.842
156 HA GLN 23 HA GLN 23 5.568 0.468 7.265
157 1HB GLN 23 HB2 GLN 23 3.315 1.105 6.737
158 2HB GLN 23 HB1 GLN 23 3.424 0.357 5.147
159 1HG GLN 23 HG2 GLN 23 3.686 -1.851 6.243
160 2HG GLN 23 HG1 GLN 23 3.494 -1.059 7.804
161 1HE2 GLN 23 HE21 GLN 23 1.696 -2.367 8.239
162 2HE2 GLN 23 HE22 GLN 23 0.174 -2.071 7.478
163 H THR 24 HN THR 24 5.042 -0.516 3.854
164 HA THR 24 HA THR 24 6.254 -3.097 4.562
165 HB THR 24 HB THR 24 3.889 -3.007 3.718
166 HG1 THR 24 HG1 THR 24 5.709 -4.489 2.074
167 1HG2 THR 24 HG21 THR 24 4.588 -1.224 1.911
168 2HG2 THR 24 HG22 THR 24 3.329 -2.395 1.581
169 3HG2 THR 24 HG23 THR 24 4.956 -2.651 0.960
170 H GLY 25 HN GLY 25 7.357 -0.334 3.152
171 1HA GLY 25 HA2 GLY 25 9.455 -0.094 2.237
172 2HA GLY 25 HA1 GLY 25 9.531 -1.818 1.948
173 H CYS 26 HN CYS 26 7.077 -1.971 0.408
174 HA CYS 26 HA CYS 26 8.120 -0.814 -2.057
175 1HB CYS 26 HB2 CYS 26 6.170 -3.077 -1.666
176 2HB CYS 26 HB1 CYS 26 6.832 -2.521 -3.202
177 HA PRO 27 HA PRO 27 4.795 2.090 -1.481
178 1HB PRO 27 HB2 PRO 27 5.502 3.843 -3.365
179 2HB PRO 27 HB1 PRO 27 6.546 3.535 -1.995
180 1HG PRO 27 HG2 PRO 27 6.715 2.356 -4.738
181 2HG PRO 27 HG1 PRO 27 7.993 3.138 -3.787
182 1HD PRO 27 HD2 PRO 27 7.686 0.443 -3.887
183 2HD PRO 27 HD1 PRO 27 8.315 1.290 -2.457
184 H ASN 28 HN ASN 28 4.314 -0.320 -3.332
185 HA ASN 28 HA ASN 28 2.569 0.972 -5.300
186 1HB ASN 28 HB2 ASN 28 2.377 -1.291 -6.308
187 2HB ASN 28 HB1 ASN 28 4.003 -0.626 -6.312
188 1HD2 ASN 28 HD21 ASN 28 2.047 -3.217 -5.305
189 2HD2 ASN 28 HD22 ASN 28 3.234 -4.098 -4.452
190 H ALA 29 HN ALA 29 0.653 1.441 -4.484
191 HA ALA 29 HA ALA 29 -0.826 -0.641 -3.021
192 1HB ALA 29 HB1 ALA 29 -1.001 0.523 -1.130
193 2HB ALA 29 HB2 ALA 29 -1.226 2.060 -1.952
194 3HB ALA 29 HB3 ALA 29 0.388 1.429 -1.705
195 H LYS 30 HN LYS 30 -3.075 -0.345 -2.954
196 HA LYS 30 HA LYS 30 -4.212 1.638 -4.820
197 1HB LYS 30 HB2 LYS 30 -4.067 -0.531 -5.978
198 2HB LYS 30 HB1 LYS 30 -4.955 -1.299 -4.668
199 1HG LYS 30 HG2 LYS 30 -6.918 0.047 -5.189
200 2HG LYS 30 HG1 LYS 30 -6.023 0.868 -6.474
201 1HD LYS 30 HD2 LYS 30 -5.743 -1.259 -7.647
202 2HD LYS 30 HD1 LYS 30 -6.607 -2.096 -6.354
203 1HE LYS 30 HE2 LYS 30 -8.617 -0.821 -6.854
204 2HE LYS 30 HE1 LYS 30 -7.759 0.071 -8.111
205 1HZ LYS 30 HZ1 LYS 30 -7.447 -2.000 -9.318
206 2HZ LYS 30 HZ2 LYS 30 -9.088 -1.705 -9.042
207 3HZ LYS 30 HZ3 LYS 30 -8.273 -2.856 -8.111
208 H CYS 31 HN CYS 31 -5.843 2.737 -3.861
209 HA CYS 31 HA CYS 31 -6.341 2.123 -1.120
210 1HB CYS 31 HB2 CYS 31 -7.356 4.236 -0.945
211 2HB CYS 31 HB1 CYS 31 -6.034 4.436 -2.083
212 H ILE 32 HN ILE 32 -8.168 1.566 -0.093
213 HA ILE 32 HA ILE 32 -10.597 1.036 -1.687
214 HB ILE 32 HB ILE 32 -11.127 -0.836 -0.135
215 1HG1 ILE 32 HG12 ILE 32 -8.247 -0.523 0.763
216 2HG1 ILE 32 HG11 ILE 32 -9.662 -0.162 1.742
217 1HG2 ILE 32 HG21 ILE 32 -10.152 -1.246 -2.359
218 2HG2 ILE 32 HG22 ILE 32 -9.719 -2.490 -1.192
219 3HG2 ILE 32 HG23 ILE 32 -8.544 -1.251 -1.636
220 1HD1 ILE 32 HD11 ILE 32 -8.754 -2.850 0.769
221 2HD1 ILE 32 HD12 ILE 32 -10.321 -2.562 1.527
222 3HD1 ILE 32 HD13 ILE 32 -8.835 -2.261 2.427
223 H ASN 33 HN ASN 33 -12.553 1.271 -0.391
224 HA ASN 33 HA ASN 33 -12.484 3.658 1.107
225 1HB ASN 33 HB2 ASN 33 -14.441 2.896 -0.202
226 2HB ASN 33 HB1 ASN 33 -14.729 1.627 0.986
227 1HD2 ASN 33 HD21 ASN 33 -16.735 2.400 1.632
228 2HD2 ASN 33 HD22 ASN 33 -16.918 3.882 2.499
229 H LYS 34 HN LYS 34 -10.865 3.030 2.629
230 HA LYS 34 HA LYS 34 -11.712 2.828 5.213
231 1HB LYS 34 HB2 LYS 34 -12.333 0.466 4.700
232 2HB LYS 34 HB1 LYS 34 -10.668 0.141 4.251
233 1HG LYS 34 HG2 LYS 34 -10.022 0.767 6.593
234 2HG LYS 34 HG1 LYS 34 -11.740 0.882 6.968
235 1HD LYS 34 HD2 LYS 34 -10.294 -1.576 5.980
236 2HD LYS 34 HD1 LYS 34 -10.794 -1.268 7.642
237 1HE LYS 34 HE2 LYS 34 -13.157 -1.137 6.824
238 2HE LYS 34 HE1 LYS 34 -12.573 -1.657 5.241
239 1HZ LYS 34 HZ1 LYS 34 -11.750 -3.687 6.250
240 2HZ LYS 34 HZ2 LYS 34 -13.407 -3.505 6.529
241 3HZ LYS 34 HZ3 LYS 34 -12.306 -3.187 7.771
242 H SER 35 HN SER 35 -9.196 1.631 3.019
243 HA SER 35 HA SER 35 -7.137 3.272 4.263
244 1HB SER 35 HB2 SER 35 -6.970 0.236 4.351
245 2HB SER 35 HB1 SER 35 -5.718 1.362 4.875
246 HG SER 35 HG SER 35 -6.977 1.960 6.585
247 H CYS 36 HN CYS 36 -4.975 2.803 3.178
248 HA CYS 36 HA CYS 36 -5.373 2.378 0.309
249 1HB CYS 36 HB2 CYS 36 -2.836 3.144 1.758
250 2HB CYS 36 HB1 CYS 36 -3.159 3.208 0.029
251 H LYS 37 HN LYS 37 -5.473 0.223 -0.158
252 HA LYS 37 HA LYS 37 -4.070 -1.685 1.469
253 1HB LYS 37 HB2 LYS 37 -6.285 -2.180 0.596
254 2HB LYS 37 HB1 LYS 37 -5.680 -2.066 -1.051
255 1HG LYS 37 HG2 LYS 37 -4.254 -4.008 -0.690
256 2HG LYS 37 HG1 LYS 37 -4.768 -4.088 0.993
257 1HD LYS 37 HD2 LYS 37 -5.937 -5.740 -0.352
258 2HD LYS 37 HD1 LYS 37 -7.065 -4.533 0.267
259 1HE LYS 37 HE2 LYS 37 -7.109 -3.418 -1.877
260 2HE LYS 37 HE1 LYS 37 -5.865 -4.500 -2.506
261 1HZ LYS 37 HZ1 LYS 37 -8.062 -5.148 -3.239
262 2HZ LYS 37 HZ2 LYS 37 -8.594 -5.302 -1.642
263 3HZ LYS 37 HZ3 LYS 37 -7.404 -6.347 -2.243
264 H CYS 38 HN CYS 38 -1.967 -1.947 1.251
265 HA CYS 38 HA CYS 38 -0.596 -1.639 -1.290
266 1HB CYS 38 HB2 CYS 38 0.426 -2.600 1.392
267 2HB CYS 38 HB1 CYS 38 1.414 -2.176 -0.001
268 H TYR 39 HN TYR 39 0.451 -3.350 -2.390
269 HA TYR 39 HA TYR 39 -0.874 -5.939 -2.094
270 1HB TYR 39 HB2 TYR 39 1.291 -5.140 -4.058
271 2HB TYR 39 HB1 TYR 39 0.259 -6.561 -4.137
272 HD1 TYR 39 HD1 TYR 39 -2.159 -6.307 -4.720
273 HD2 TYR 39 HD2 TYR 39 0.524 -3.018 -4.854
274 HE1 TYR 39 HE1 TYR 39 -3.733 -5.067 -6.148
275 HE2 TYR 39 HE2 TYR 39 -1.014 -1.783 -6.284
276 HH TYR 39 HH TYR 39 -4.201 -2.600 -6.701
277 H GLY 40 HN GLY 40 1.348 -4.682 -0.246
278 1HA GLY 40 HA2 GLY 40 2.932 -5.608 1.112
279 2HA GLY 40 HA1 GLY 40 2.850 -7.107 0.191
280 H CYS 41 HN CYS 41 3.488 -6.664 -2.220
281 HA CYS 41 HA CYS 41 5.245 -4.629 -2.892
282 1HB CYS 41 HB2 CYS 41 6.719 -5.964 -1.248
283 2HB CYS 41 HB1 CYS 41 6.734 -7.234 -2.453
Start of MODEL 18
1 1H TRP 1 HT1 TRP 1 4.408 0.733 12.166
2 2H TRP 1 HT2 TRP 1 5.311 -0.661 11.751
3 3H TRP 1 HT3 TRP 1 4.209 0.007 10.632
4 HA TRP 1 HA TRP 1 6.695 1.203 11.649
5 1HB TRP 1 HB2 TRP 1 5.885 0.067 9.002
6 2HB TRP 1 HB1 TRP 1 7.266 1.132 9.150
7 HD1 TRP 1 HD1 TRP 1 6.395 -2.426 9.189
8 HE1 TRP 1 HE1 TRP 1 8.340 -3.827 10.125
9 HE3 TRP 1 HE3 TRP 1 9.194 1.334 11.229
10 HZ2 TRP 1 HZ2 TRP 1 10.739 -3.395 11.547
11 HZ3 TRP 1 HZ3 TRP 1 11.300 0.755 12.363
12 HH2 TRP 1 HH2 TRP 1 12.053 -1.560 12.518
13 H CYS 2 HN CYS 2 3.782 1.666 9.676
14 HA CYS 2 HA CYS 2 4.486 4.462 9.273
15 1HB CYS 2 HB2 CYS 2 2.436 4.564 7.904
16 2HB CYS 2 HB1 CYS 2 3.588 3.361 7.355
17 H SER 3 HN SER 3 4.282 5.533 11.164
18 HA SER 3 HA SER 3 2.132 5.111 13.005
19 1HB SER 3 HB2 SER 3 3.967 7.508 12.756
20 2HB SER 3 HB1 SER 3 3.036 7.021 14.175
21 HG SER 3 HG SER 3 5.232 6.350 14.286
22 H THR 4 HN THR 4 2.391 6.804 10.043
23 HA THR 4 HA THR 4 0.263 8.690 10.603
24 HB THR 4 HB THR 4 0.532 9.093 8.044
25 HG1 THR 4 HG1 THR 4 1.659 7.316 7.389
26 1HG2 THR 4 HG21 THR 4 2.867 9.609 9.883
27 2HG2 THR 4 HG22 THR 4 1.421 10.610 9.737
28 3HG2 THR 4 HG23 THR 4 2.523 10.449 8.371
29 H CYS 5 HN CYS 5 0.246 5.455 10.169
30 HA CYS 5 HA CYS 5 -1.982 5.312 8.320
31 1HB CYS 5 HB2 CYS 5 -0.475 3.227 9.890
32 2HB CYS 5 HB1 CYS 5 -1.904 2.849 8.946
33 H LEU 6 HN LEU 6 -2.880 6.945 10.101
34 HA LEU 6 HA LEU 6 -4.376 5.498 12.164
35 1HB LEU 6 HB2 LEU 6 -4.380 8.430 11.414
36 2HB LEU 6 HB1 LEU 6 -5.225 7.718 12.780
37 HG LEU 6 HG LEU 6 -2.223 7.811 12.432
38 1HD1 LEU 6 HD11 LEU 6 -2.281 9.456 14.232
39 2HD1 LEU 6 HD12 LEU 6 -4.044 9.390 14.252
40 3HD1 LEU 6 HD13 LEU 6 -3.198 10.018 12.836
41 1HD2 LEU 6 HD21 LEU 6 -2.903 5.862 13.701
42 2HD2 LEU 6 HD22 LEU 6 -3.938 6.856 14.726
43 3HD2 LEU 6 HD23 LEU 6 -2.187 7.055 14.778
44 H ASP 7 HN ASP 7 -5.031 7.759 9.507
45 HA ASP 7 HA ASP 7 -7.135 6.016 8.524
46 1HB ASP 7 HB2 ASP 7 -8.439 7.430 9.997
47 2HB ASP 7 HB1 ASP 7 -7.701 8.882 9.324
48 H LEU 8 HN LEU 8 -6.799 5.853 6.412
49 HA LEU 8 HA LEU 8 -5.934 8.212 4.887
50 1HB LEU 8 HB2 LEU 8 -4.227 6.886 3.702
51 2HB LEU 8 HB1 LEU 8 -3.843 7.177 5.383
52 HG LEU 8 HG LEU 8 -5.057 4.558 4.485
53 1HD1 LEU 8 HD11 LEU 8 -2.989 4.990 3.207
54 2HD1 LEU 8 HD12 LEU 8 -2.831 3.640 4.309
55 3HD1 LEU 8 HD13 LEU 8 -2.116 5.202 4.712
56 1HD2 LEU 8 HD21 LEU 8 -5.155 4.628 6.797
57 2HD2 LEU 8 HD22 LEU 8 -3.668 5.556 6.950
58 3HD2 LEU 8 HD23 LEU 8 -3.608 3.844 6.534
59 H ALA 9 HN ALA 9 -8.376 6.611 5.216
60 HA ALA 9 HA ALA 9 -8.816 4.858 3.106
61 1HB ALA 9 HB1 ALA 9 -10.815 6.616 4.525
62 2HB ALA 9 HB2 ALA 9 -10.253 5.035 5.067
63 3HB ALA 9 HB3 ALA 9 -11.183 5.174 3.575
64 H CYS 10 HN CYS 10 -7.896 5.747 1.257
65 HA CYS 10 HA CYS 10 -7.902 6.754 -0.731
66 1HB CYS 10 HB2 CYS 10 -10.775 7.311 0.010
67 2HB CYS 10 HB1 CYS 10 -10.088 7.909 -1.486
68 H THR 11 HN THR 11 -6.591 8.003 1.197
69 HA THR 11 HA THR 11 -7.226 10.856 0.973
70 HB THR 11 HB THR 11 -6.324 9.835 3.130
71 HG1 THR 11 HG1 THR 11 -4.795 11.946 1.939
72 1HG2 THR 11 HG21 THR 11 -4.601 8.411 1.861
73 2HG2 THR 11 HG22 THR 11 -4.081 9.219 3.336
74 3HG2 THR 11 HG23 THR 11 -3.650 9.895 1.770
75 H GLY 12 HN GLY 12 -6.250 8.746 -1.148
76 1HA GLY 12 HA2 GLY 12 -5.378 9.537 -3.229
77 2HA GLY 12 HA1 GLY 12 -4.159 10.432 -2.338
78 H SER 13 HN SER 13 -4.539 7.788 -4.187
79 HA SER 13 HA SER 13 -3.178 5.734 -2.819
80 1HB SER 13 HB2 SER 13 -2.536 5.043 -5.243
81 2HB SER 13 HB1 SER 13 -4.244 5.110 -4.814
82 HG SER 13 HG SER 13 -2.744 6.934 -6.355
83 H LYS 14 HN LYS 14 -2.044 8.492 -4.693
84 HA LYS 14 HA LYS 14 0.711 7.750 -4.550
85 1HB LYS 14 HB2 LYS 14 -0.669 10.311 -5.322
86 2HB LYS 14 HB1 LYS 14 1.074 10.066 -5.448
87 1HG LYS 14 HG2 LYS 14 0.851 8.411 -7.085
88 2HG LYS 14 HG1 LYS 14 -0.878 8.211 -6.787
89 1HD LYS 14 HD2 LYS 14 -1.299 10.440 -7.681
90 2HD LYS 14 HD1 LYS 14 0.432 10.664 -7.962
91 1HE LYS 14 HE2 LYS 14 0.481 8.962 -9.599
92 2HE LYS 14 HE1 LYS 14 -1.128 8.383 -9.166
93 1HZ LYS 14 HZ1 LYS 14 -1.173 9.654 -11.197
94 2HZ LYS 14 HZ2 LYS 14 -0.511 11.001 -10.421
95 3HZ LYS 14 HZ3 LYS 14 -2.055 10.451 -9.994
96 H ASP 15 HN ASP 15 -1.422 9.062 -2.302
97 HA ASP 15 HA ASP 15 0.667 10.352 -0.741
98 1HB ASP 15 HB2 ASP 15 -1.760 11.163 -0.733
99 2HB ASP 15 HB1 ASP 15 -2.151 9.710 0.182
100 H CYS 16 HN CYS 16 -1.440 7.519 -0.777
101 HA CYS 16 HA CYS 16 -0.540 6.292 1.578
102 1HB CYS 16 HB2 CYS 16 -1.655 5.012 -0.920
103 2HB CYS 16 HB1 CYS 16 -1.527 4.240 0.659
104 H TYR 17 HN TYR 17 0.934 6.541 -1.558
105 HA TYR 17 HA TYR 17 2.667 4.398 -1.605
106 1HB TYR 17 HB2 TYR 17 3.008 7.262 -2.453
107 2HB TYR 17 HB1 TYR 17 4.302 6.090 -2.682
108 HD1 TYR 17 HD1 TYR 17 3.466 7.398 -5.027
109 HD2 TYR 17 HD2 TYR 17 1.595 4.073 -3.137
110 HE1 TYR 17 HE1 TYR 17 2.491 6.704 -7.171
111 HE2 TYR 17 HE2 TYR 17 0.640 3.388 -5.258
112 HH TYR 17 HH TYR 17 1.592 4.053 -8.016
113 H ALA 18 HN ALA 18 2.920 7.347 0.308
114 HA ALA 18 HA ALA 18 5.530 6.760 1.269
115 1HB ALA 18 HB1 ALA 18 5.221 8.938 1.601
116 2HB ALA 18 HB2 ALA 18 4.577 8.445 3.163
117 3HB ALA 18 HB3 ALA 18 3.483 8.797 1.825
118 HA PRO 19 HA PRO 19 3.241 5.185 5.371
119 1HB PRO 19 HB2 PRO 19 0.673 4.379 4.050
120 2HB PRO 19 HB1 PRO 19 0.990 4.972 5.677
121 1HG PRO 19 HG2 PRO 19 -0.078 6.565 3.865
122 2HG PRO 19 HG1 PRO 19 1.117 7.171 5.028
123 1HD PRO 19 HD2 PRO 19 1.470 6.521 2.167
124 2HD PRO 19 HD1 PRO 19 2.178 7.795 3.111
125 H CYS 20 HN CYS 20 2.212 3.705 2.269
126 HA CYS 20 HA CYS 20 2.535 1.038 3.159
127 1HB CYS 20 HB2 CYS 20 2.491 2.241 0.390
128 2HB CYS 20 HB1 CYS 20 2.605 0.504 0.671
129 H ARG 21 HN ARG 21 4.734 3.233 1.434
130 HA ARG 21 HA ARG 21 6.863 1.388 1.131
131 1HB ARG 21 HB2 ARG 21 6.752 3.527 -0.060
132 2HB ARG 21 HB1 ARG 21 6.964 4.400 1.440
133 1HG ARG 21 HG2 ARG 21 9.189 3.393 1.696
134 2HG ARG 21 HG1 ARG 21 8.963 2.534 0.173
135 1HD ARG 21 HD2 ARG 21 8.726 4.690 -0.967
136 2HD ARG 21 HD1 ARG 21 9.027 5.524 0.551
137 HE ARG 21 HE ARG 21 11.237 4.263 0.531
138 1HH1 ARG 21 HH11 ARG 21 9.610 5.390 -2.382
139 2HH1 ARG 21 HH12 ARG 21 11.068 5.467 -3.286
140 1HH2 ARG 21 HH21 ARG 21 13.145 4.391 -0.700
141 2HH2 ARG 21 HH22 ARG 21 13.068 4.913 -2.350
142 H LYS 22 HN LYS 22 6.001 3.677 3.684
143 HA LYS 22 HA LYS 22 8.281 3.271 5.299
144 1HB LYS 22 HB2 LYS 22 6.660 5.184 5.416
145 2HB LYS 22 HB1 LYS 22 5.503 4.102 6.181
146 1HG LYS 22 HG2 LYS 22 7.027 3.778 8.054
147 2HG LYS 22 HG1 LYS 22 8.221 4.813 7.265
148 1HD LYS 22 HD2 LYS 22 6.538 6.663 7.311
149 2HD LYS 22 HD1 LYS 22 5.490 5.623 8.261
150 1HE LYS 22 HE2 LYS 22 6.669 7.095 9.739
151 2HE LYS 22 HE1 LYS 22 7.295 5.467 9.973
152 1HZ LYS 22 HZ1 LYS 22 9.014 7.223 9.855
153 2HZ LYS 22 HZ2 LYS 22 8.598 7.501 8.240
154 3HZ LYS 22 HZ3 LYS 22 9.224 6.000 8.710
155 H GLN 23 HN GLN 23 5.130 1.709 5.144
156 HA GLN 23 HA GLN 23 5.469 0.170 7.491
157 1HB GLN 23 HB2 GLN 23 3.286 0.801 6.712
158 2HB GLN 23 HB1 GLN 23 3.518 -0.099 5.238
159 1HG GLN 23 HG2 GLN 23 2.084 -1.298 6.768
160 2HG GLN 23 HG1 GLN 23 3.579 -2.184 6.500
161 1HE2 GLN 23 HE21 GLN 23 3.367 -3.349 8.421
162 2HE2 GLN 23 HE22 GLN 23 3.597 -2.607 9.964
163 H THR 24 HN THR 24 5.460 -0.757 4.048
164 HA THR 24 HA THR 24 6.606 -3.351 4.877
165 HB THR 24 HB THR 24 5.733 -4.180 2.712
166 HG1 THR 24 HG1 THR 24 4.339 -2.808 1.510
167 1HG2 THR 24 HG21 THR 24 4.420 -4.422 4.753
168 2HG2 THR 24 HG22 THR 24 3.401 -4.222 3.328
169 3HG2 THR 24 HG23 THR 24 3.650 -2.868 4.427
170 H GLY 25 HN GLY 25 7.340 -0.539 2.968
171 1HA GLY 25 HA2 GLY 25 9.670 -0.245 2.333
172 2HA GLY 25 HA1 GLY 25 9.727 -1.943 1.899
173 H CYS 26 HN CYS 26 7.092 -1.946 0.660
174 HA CYS 26 HA CYS 26 7.857 -0.695 -1.863
175 1HB CYS 26 HB2 CYS 26 5.725 -2.735 -1.319
176 2HB CYS 26 HB1 CYS 26 6.227 -2.162 -2.887
177 HA PRO 27 HA PRO 27 4.879 2.454 -0.862
178 1HB PRO 27 HB2 PRO 27 5.133 3.940 -3.111
179 2HB PRO 27 HB1 PRO 27 6.387 3.871 -1.883
180 1HG PRO 27 HG2 PRO 27 6.211 2.390 -4.468
181 2HG PRO 27 HG1 PRO 27 7.603 3.216 -3.742
182 1HD PRO 27 HD2 PRO 27 7.232 0.523 -3.599
183 2HD PRO 27 HD1 PRO 27 8.081 1.453 -2.348
184 H ASN 28 HN ASN 28 4.657 0.488 -3.744
185 HA ASN 28 HA ASN 28 2.476 1.571 -4.992
186 1HB ASN 28 HB2 ASN 28 3.151 -1.374 -4.850
187 2HB ASN 28 HB1 ASN 28 2.151 -0.597 -6.074
188 1HD2 ASN 28 HD21 ASN 28 3.125 0.848 -7.561
189 2HD2 ASN 28 HD22 ASN 28 4.820 0.747 -7.878
190 H ALA 29 HN ALA 29 0.408 1.818 -4.495
191 HA ALA 29 HA ALA 29 -1.031 -0.128 -2.896
192 1HB ALA 29 HB1 ALA 29 -1.500 1.227 -1.089
193 2HB ALA 29 HB2 ALA 29 -1.161 2.717 -1.971
194 3HB ALA 29 HB3 ALA 29 0.160 1.685 -1.454
195 H LYS 30 HN LYS 30 -3.316 0.557 -2.588
196 HA LYS 30 HA LYS 30 -4.389 2.488 -4.472
197 1HB LYS 30 HB2 LYS 30 -4.338 0.456 -5.854
198 2HB LYS 30 HB1 LYS 30 -5.176 -0.442 -4.592
199 1HG LYS 30 HG2 LYS 30 -7.078 1.258 -4.886
200 2HG LYS 30 HG1 LYS 30 -6.233 1.765 -6.344
201 1HD LYS 30 HD2 LYS 30 -7.175 -1.044 -5.756
202 2HD LYS 30 HD1 LYS 30 -8.043 0.130 -6.744
203 1HE LYS 30 HE2 LYS 30 -6.129 0.225 -8.291
204 2HE LYS 30 HE1 LYS 30 -5.308 -0.969 -7.294
205 1HZ LYS 30 HZ1 LYS 30 -7.866 -1.414 -8.703
206 2HZ LYS 30 HZ2 LYS 30 -7.041 -2.552 -7.757
207 3HZ LYS 30 HZ3 LYS 30 -6.354 -1.988 -9.195
208 H CYS 31 HN CYS 31 -6.271 3.383 -3.636
209 HA CYS 31 HA CYS 31 -6.973 2.462 -0.971
210 1HB CYS 31 HB2 CYS 31 -7.946 4.516 -0.589
211 2HB CYS 31 HB1 CYS 31 -6.647 4.926 -1.688
212 H ILE 32 HN ILE 32 -8.822 1.518 -0.396
213 HA ILE 32 HA ILE 32 -10.870 1.036 -2.482
214 HB ILE 32 HB ILE 32 -11.375 -1.088 -1.280
215 1HG1 ILE 32 HG12 ILE 32 -8.822 -0.457 0.218
216 2HG1 ILE 32 HG11 ILE 32 -10.432 -0.563 0.918
217 1HG2 ILE 32 HG21 ILE 32 -9.958 -1.012 -3.305
218 2HG2 ILE 32 HG22 ILE 32 -9.574 -2.362 -2.246
219 3HG2 ILE 32 HG23 ILE 32 -8.530 -0.940 -2.273
220 1HD1 ILE 32 HD11 ILE 32 -8.701 -2.750 -0.178
221 2HD1 ILE 32 HD12 ILE 32 -10.413 -2.977 0.185
222 3HD1 ILE 32 HD13 ILE 32 -9.289 -2.535 1.469
223 H ASN 33 HN ASN 33 -13.042 0.811 -1.626
224 HA ASN 33 HA ASN 33 -13.635 2.969 0.111
225 1HB ASN 33 HB2 ASN 33 -15.411 0.756 -0.936
226 2HB ASN 33 HB1 ASN 33 -15.999 2.187 -0.093
227 1HD2 ASN 33 HD21 ASN 33 -15.861 4.219 -1.129
228 2HD2 ASN 33 HD22 ASN 33 -15.645 4.323 -2.839
229 H LYS 34 HN LYS 34 -12.311 2.274 1.895
230 HA LYS 34 HA LYS 34 -13.623 1.546 4.166
231 1HB LYS 34 HB2 LYS 34 -13.932 -0.710 3.185
232 2HB LYS 34 HB1 LYS 34 -12.201 -0.846 2.952
233 1HG LYS 34 HG2 LYS 34 -12.956 -2.115 4.866
234 2HG LYS 34 HG1 LYS 34 -11.881 -0.813 5.372
235 1HD LYS 34 HD2 LYS 34 -13.808 0.534 6.040
236 2HD LYS 34 HD1 LYS 34 -14.903 -0.733 5.480
237 1HE LYS 34 HE2 LYS 34 -14.627 -0.797 7.898
238 2HE LYS 34 HE1 LYS 34 -13.993 -2.260 7.149
239 1HZ LYS 34 HZ1 LYS 34 -11.781 -1.489 7.448
240 2HZ LYS 34 HZ2 LYS 34 -12.576 -1.293 8.924
241 3HZ LYS 34 HZ3 LYS 34 -12.294 0.050 7.937
242 H SER 35 HN SER 35 -10.613 1.028 2.376
243 HA SER 35 HA SER 35 -9.053 2.505 4.316
244 1HB SER 35 HB2 SER 35 -7.546 0.512 4.749
245 2HB SER 35 HB1 SER 35 -9.145 0.404 5.482
246 HG SER 35 HG SER 35 -8.364 -1.513 4.316
247 H CYS 36 HN CYS 36 -6.763 2.696 3.598
248 HA CYS 36 HA CYS 36 -6.567 2.433 0.688
249 1HB CYS 36 HB2 CYS 36 -5.883 4.546 2.030
250 2HB CYS 36 HB1 CYS 36 -4.433 3.645 2.388
251 H LYS 37 HN LYS 37 -5.895 0.480 0.048
252 HA LYS 37 HA LYS 37 -4.237 -1.094 1.889
253 1HB LYS 37 HB2 LYS 37 -6.401 -1.983 1.119
254 2HB LYS 37 HB1 LYS 37 -5.818 -1.923 -0.536
255 1HG LYS 37 HG2 LYS 37 -4.011 -3.534 0.141
256 2HG LYS 37 HG1 LYS 37 -4.775 -3.634 1.718
257 1HD LYS 37 HD2 LYS 37 -5.483 -5.500 0.376
258 2HD LYS 37 HD1 LYS 37 -6.854 -4.418 0.626
259 1HE LYS 37 HE2 LYS 37 -6.787 -5.183 -1.666
260 2HE LYS 37 HE1 LYS 37 -6.470 -3.458 -1.623
261 1HZ LYS 37 HZ1 LYS 37 -4.161 -3.850 -1.964
262 2HZ LYS 37 HZ2 LYS 37 -4.997 -4.758 -3.114
263 3HZ LYS 37 HZ3 LYS 37 -4.334 -5.523 -1.760
264 H CYS 38 HN CYS 38 -2.253 -1.766 1.417
265 HA CYS 38 HA CYS 38 -0.903 -0.745 -0.932
266 1HB CYS 38 HB2 CYS 38 0.262 -2.646 1.085
267 2HB CYS 38 HB1 CYS 38 1.089 -1.443 0.097
268 H TYR 39 HN TYR 39 0.408 -2.228 -2.314
269 HA TYR 39 HA TYR 39 -1.253 -4.452 -3.166
270 1HB TYR 39 HB2 TYR 39 1.227 -3.142 -4.251
271 2HB TYR 39 HB1 TYR 39 0.709 -4.702 -4.878
272 HD1 TYR 39 HD1 TYR 39 -1.915 -4.793 -5.458
273 HD2 TYR 39 HD2 TYR 39 0.479 -1.296 -5.435
274 HE1 TYR 39 HE1 TYR 39 -3.478 -3.710 -7.009
275 HE2 TYR 39 HE2 TYR 39 -1.062 -0.194 -6.981
276 HH TYR 39 HH TYR 39 -3.354 -0.353 -7.738
277 H GLY 40 HN GLY 40 1.044 -4.189 -0.798
278 1HA GLY 40 HA2 GLY 40 1.611 -6.027 0.511
279 2HA GLY 40 HA1 GLY 40 1.508 -7.081 -0.887
280 H CYS 41 HN CYS 41 3.641 -6.587 1.137
281 HA CYS 41 HA CYS 41 5.874 -6.774 -0.614
282 1HB CYS 41 HB2 CYS 41 5.447 -4.315 -0.631
283 2HB CYS 41 HB1 CYS 41 5.766 -4.274 1.046
Start of MODEL 19
1 1H TRP 1 HT1 TRP 1 4.179 1.127 12.331
2 2H TRP 1 HT2 TRP 1 5.480 0.032 12.332
3 3H TRP 1 HT3 TRP 1 4.684 0.392 10.863
4 HA TRP 1 HA TRP 1 6.403 2.131 12.508
5 1HB TRP 1 HB2 TRP 1 6.654 1.526 9.557
6 2HB TRP 1 HB1 TRP 1 7.877 2.123 10.674
7 HD1 TRP 1 HD1 TRP 1 6.709 -0.987 9.064
8 HE1 TRP 1 HE1 TRP 1 7.893 -3.032 10.077
9 HE3 TRP 1 HE3 TRP 1 8.774 1.232 13.179
10 HZ2 TRP 1 HZ2 TRP 1 9.498 -3.626 12.328
11 HZ3 TRP 1 HZ3 TRP 1 10.123 -0.143 14.707
12 HH2 TRP 1 HH2 TRP 1 10.476 -2.520 14.290
13 H CYS 2 HN CYS 2 3.598 1.993 10.586
14 HA CYS 2 HA CYS 2 3.886 4.534 9.322
15 1HB CYS 2 HB2 CYS 2 2.627 2.693 8.306
16 2HB CYS 2 HB1 CYS 2 1.465 2.756 9.625
17 H SER 3 HN SER 3 4.009 6.214 10.672
18 HA SER 3 HA SER 3 2.169 6.457 12.939
19 1HB SER 3 HB2 SER 3 4.338 8.366 12.032
20 2HB SER 3 HB1 SER 3 3.543 8.302 13.608
21 HG SER 3 HG SER 3 4.617 6.451 14.081
22 H THR 4 HN THR 4 1.715 6.891 9.780
23 HA THR 4 HA THR 4 -0.154 9.081 10.161
24 HB THR 4 HB THR 4 1.898 9.185 7.912
25 HG1 THR 4 HG1 THR 4 1.842 10.654 10.372
26 1HG2 THR 4 HG21 THR 4 -0.179 10.307 7.377
27 2HG2 THR 4 HG22 THR 4 1.068 11.505 7.710
28 3HG2 THR 4 HG23 THR 4 -0.160 11.155 8.925
29 H CYS 5 HN CYS 5 -1.627 7.299 9.897
30 HA CYS 5 HA CYS 5 -2.608 7.142 7.261
31 1HB CYS 5 HB2 CYS 5 -2.453 4.572 7.089
32 2HB CYS 5 HB1 CYS 5 -1.041 5.529 6.693
33 H LEU 6 HN LEU 6 -3.987 8.071 9.162
34 HA LEU 6 HA LEU 6 -5.382 6.057 10.697
35 1HB LEU 6 HB2 LEU 6 -4.807 8.323 11.564
36 2HB LEU 6 HB1 LEU 6 -5.960 9.020 10.453
37 HG LEU 6 HG LEU 6 -7.779 7.773 11.585
38 1HD1 LEU 6 HD11 LEU 6 -6.566 5.863 12.402
39 2HD1 LEU 6 HD12 LEU 6 -7.270 6.709 13.771
40 3HD1 LEU 6 HD13 LEU 6 -5.550 6.884 13.419
41 1HD2 LEU 6 HD21 LEU 6 -7.790 9.096 13.635
42 2HD2 LEU 6 HD22 LEU 6 -7.234 10.060 12.268
43 3HD2 LEU 6 HD23 LEU 6 -6.069 9.437 13.439
44 H ASP 7 HN ASP 7 -6.795 8.700 8.709
45 HA ASP 7 HA ASP 7 -8.714 6.713 7.641
46 1HB ASP 7 HB2 ASP 7 -9.258 9.567 8.489
47 2HB ASP 7 HB1 ASP 7 -10.408 8.530 7.651
48 H LEU 8 HN LEU 8 -7.164 6.579 5.856
49 HA LEU 8 HA LEU 8 -7.316 8.900 4.055
50 1HB LEU 8 HB2 LEU 8 -5.448 6.562 4.137
51 2HB LEU 8 HB1 LEU 8 -5.577 7.593 2.724
52 HG LEU 8 HG LEU 8 -4.980 9.537 4.259
53 1HD1 LEU 8 HD11 LEU 8 -4.331 7.232 6.080
54 2HD1 LEU 8 HD12 LEU 8 -5.349 8.632 6.409
55 3HD1 LEU 8 HD13 LEU 8 -3.609 8.834 6.253
56 1HD2 LEU 8 HD21 LEU 8 -2.939 7.362 3.802
57 2HD2 LEU 8 HD22 LEU 8 -2.597 9.071 4.079
58 3HD2 LEU 8 HD23 LEU 8 -3.449 8.570 2.620
59 H ALA 9 HN ALA 9 -9.623 7.391 4.433
60 HA ALA 9 HA ALA 9 -10.053 5.231 2.760
61 1HB ALA 9 HB1 ALA 9 -12.035 7.374 3.534
62 2HB ALA 9 HB2 ALA 9 -11.612 5.959 4.496
63 3HB ALA 9 HB3 ALA 9 -12.425 5.755 2.946
64 H CYS 10 HN CYS 10 -8.882 5.704 0.839
65 HA CYS 10 HA CYS 10 -8.555 6.430 -1.227
66 1HB CYS 10 HB2 CYS 10 -11.524 6.412 -1.069
67 2HB CYS 10 HB1 CYS 10 -10.808 7.219 -2.456
68 H THR 11 HN THR 11 -7.757 8.116 0.556
69 HA THR 11 HA THR 11 -8.652 10.787 -0.187
70 HB THR 11 HB THR 11 -6.258 9.938 1.490
71 HG1 THR 11 HG1 THR 11 -7.867 10.668 3.200
72 1HG2 THR 11 HG21 THR 11 -6.000 12.208 0.736
73 2HG2 THR 11 HG22 THR 11 -6.501 12.235 2.423
74 3HG2 THR 11 HG23 THR 11 -7.671 12.590 1.154
75 H GLY 12 HN GLY 12 -6.593 8.362 -1.350
76 1HA GLY 12 HA2 GLY 12 -5.983 9.227 -3.728
77 2HA GLY 12 HA1 GLY 12 -4.837 10.191 -2.805
78 H SER 13 HN SER 13 -4.955 7.526 -4.617
79 HA SER 13 HA SER 13 -3.767 5.501 -3.103
80 1HB SER 13 HB2 SER 13 -3.314 6.131 -6.029
81 2HB SER 13 HB1 SER 13 -3.012 4.583 -5.243
82 HG SER 13 HG SER 13 -5.090 4.837 -6.374
83 H LYS 14 HN LYS 14 -2.293 8.257 -4.787
84 HA LYS 14 HA LYS 14 0.372 7.432 -4.180
85 1HB LYS 14 HB2 LYS 14 -0.677 10.054 -5.174
86 2HB LYS 14 HB1 LYS 14 1.031 9.629 -5.061
87 1HG LYS 14 HG2 LYS 14 0.625 7.749 -6.606
88 2HG LYS 14 HG1 LYS 14 -1.048 8.286 -6.777
89 1HD LYS 14 HD2 LYS 14 -0.276 10.417 -7.683
90 2HD LYS 14 HD1 LYS 14 1.402 9.903 -7.485
91 1HE LYS 14 HE2 LYS 14 -0.658 8.583 -9.255
92 2HE LYS 14 HE1 LYS 14 0.651 9.634 -9.793
93 1HZ LYS 14 HZ1 LYS 14 0.872 6.939 -8.588
94 2HZ LYS 14 HZ2 LYS 14 2.204 7.972 -8.752
95 3HZ LYS 14 HZ3 LYS 14 1.369 7.440 -10.122
96 H ASP 15 HN ASP 15 -2.065 8.979 -2.434
97 HA ASP 15 HA ASP 15 -0.297 10.261 -0.536
98 1HB ASP 15 HB2 ASP 15 -2.726 10.978 -1.063
99 2HB ASP 15 HB1 ASP 15 -3.228 9.594 -0.103
100 H CYS 16 HN CYS 16 -1.897 7.243 -1.125
101 HA CYS 16 HA CYS 16 -1.379 6.087 1.463
102 1HB CYS 16 HB2 CYS 16 -2.192 4.773 -1.138
103 2HB CYS 16 HB1 CYS 16 -2.220 4.049 0.444
104 H TYR 17 HN TYR 17 0.317 6.496 -1.524
105 HA TYR 17 HA TYR 17 2.126 4.435 -1.660
106 1HB TYR 17 HB2 TYR 17 2.346 7.366 -2.207
107 2HB TYR 17 HB1 TYR 17 3.806 6.411 -2.246
108 HD1 TYR 17 HD1 TYR 17 4.183 6.948 -4.568
109 HD2 TYR 17 HD2 TYR 17 0.629 4.941 -3.375
110 HE1 TYR 17 HE1 TYR 17 3.729 6.356 -6.902
111 HE2 TYR 17 HE2 TYR 17 0.163 4.353 -5.703
112 HH TYR 17 HH TYR 17 2.005 4.127 -7.946
113 H ALA 18 HN ALA 18 2.516 7.409 0.269
114 HA ALA 18 HA ALA 18 4.976 6.792 1.375
115 1HB ALA 18 HB1 ALA 18 2.838 8.711 1.999
116 2HB ALA 18 HB2 ALA 18 4.571 8.938 1.823
117 3HB ALA 18 HB3 ALA 18 3.920 8.339 3.343
118 HA PRO 19 HA PRO 19 2.729 4.938 5.367
119 1HB PRO 19 HB2 PRO 19 0.239 4.045 3.964
120 2HB PRO 19 HB1 PRO 19 0.462 4.570 5.613
121 1HG PRO 19 HG2 PRO 19 -0.647 6.179 3.846
122 2HG PRO 19 HG1 PRO 19 0.494 6.821 5.041
123 1HD PRO 19 HD2 PRO 19 0.913 6.284 2.162
124 2HD PRO 19 HD1 PRO 19 1.541 7.560 3.167
125 H CYS 20 HN CYS 20 1.779 3.504 2.217
126 HA CYS 20 HA CYS 20 2.299 0.842 3.049
127 1HB CYS 20 HB2 CYS 20 1.959 2.128 0.352
128 2HB CYS 20 HB1 CYS 20 2.347 0.415 0.492
129 H ARG 21 HN ARG 21 4.315 3.271 1.484
130 HA ARG 21 HA ARG 21 6.493 1.511 0.940
131 1HB ARG 21 HB2 ARG 21 6.035 3.823 -0.060
132 2HB ARG 21 HB1 ARG 21 6.709 4.492 1.421
133 1HG ARG 21 HG2 ARG 21 8.822 3.357 0.977
134 2HG ARG 21 HG1 ARG 21 8.140 2.640 -0.486
135 1HD ARG 21 HD2 ARG 21 7.682 5.030 -1.254
136 2HD ARG 21 HD1 ARG 21 8.703 5.523 0.096
137 HE ARG 21 HE ARG 21 9.916 3.583 -1.664
138 1HH1 ARG 21 HH11 ARG 21 9.415 7.014 -1.063
139 2HH1 ARG 21 HH12 ARG 21 10.774 7.479 -2.011
140 1HH2 ARG 21 HH21 ARG 21 11.679 4.233 -2.922
141 2HH2 ARG 21 HH22 ARG 21 12.058 5.917 -3.070
142 H LYS 22 HN LYS 22 5.586 3.612 3.611
143 HA LYS 22 HA LYS 22 7.851 3.381 5.240
144 1HB LYS 22 HB2 LYS 22 6.144 4.991 5.741
145 2HB LYS 22 HB1 LYS 22 4.924 3.759 5.838
146 1HG LYS 22 HG2 LYS 22 5.388 4.464 8.027
147 2HG LYS 22 HG1 LYS 22 6.022 2.840 7.866
148 1HD LYS 22 HD2 LYS 22 7.592 4.223 9.070
149 2HD LYS 22 HD1 LYS 22 8.275 3.801 7.500
150 1HE LYS 22 HE2 LYS 22 7.750 5.976 6.626
151 2HE LYS 22 HE1 LYS 22 6.851 6.401 8.084
152 1HZ LYS 22 HZ1 LYS 22 9.040 7.383 8.071
153 2HZ LYS 22 HZ2 LYS 22 9.766 5.863 7.929
154 3HZ LYS 22 HZ3 LYS 22 8.911 6.267 9.335
155 H GLN 23 HN GLN 23 4.941 1.359 5.011
156 HA GLN 23 HA GLN 23 5.798 -0.418 7.092
157 1HB GLN 23 HB2 GLN 23 3.567 -0.535 5.066
158 2HB GLN 23 HB1 GLN 23 3.833 -1.810 6.249
159 1HG GLN 23 HG2 GLN 23 3.276 1.078 6.889
160 2HG GLN 23 HG1 GLN 23 2.098 -0.233 6.933
161 1HE2 GLN 23 HE21 GLN 23 2.221 -1.777 8.589
162 2HE2 GLN 23 HE22 GLN 23 3.166 -1.499 10.008
163 H THR 24 HN THR 24 5.433 -0.880 3.559
164 HA THR 24 HA THR 24 6.704 -3.479 3.824
165 HB THR 24 HB THR 24 6.140 -3.770 1.460
166 HG1 THR 24 HG1 THR 24 5.337 -2.130 0.244
167 1HG2 THR 24 HG21 THR 24 3.870 -2.625 3.053
168 2HG2 THR 24 HG22 THR 24 4.450 -4.291 3.112
169 3HG2 THR 24 HG23 THR 24 3.722 -3.662 1.634
170 H GLY 25 HN GLY 25 7.458 -0.369 2.284
171 1HA GLY 25 HA2 GLY 25 9.825 0.237 2.070
172 2HA GLY 25 HA1 GLY 25 10.158 -1.430 1.631
173 H CYS 26 HN CYS 26 7.390 -1.222 0.176
174 HA CYS 26 HA CYS 26 8.498 -0.019 -2.260
175 1HB CYS 26 HB2 CYS 26 6.626 -2.337 -1.890
176 2HB CYS 26 HB1 CYS 26 6.875 -1.565 -3.439
177 HA PRO 27 HA PRO 27 5.163 2.864 -1.894
178 1HB PRO 27 HB2 PRO 27 5.504 4.216 -4.182
179 2HB PRO 27 HB1 PRO 27 6.726 4.227 -2.915
180 1HG PRO 27 HG2 PRO 27 6.658 2.636 -5.439
181 2HG PRO 27 HG1 PRO 27 8.014 3.503 -4.698
182 1HD PRO 27 HD2 PRO 27 7.572 0.789 -4.457
183 2HD PRO 27 HD1 PRO 27 8.518 1.769 -3.318
184 H ASN 28 HN ASN 28 4.709 0.114 -3.435
185 HA ASN 28 HA ASN 28 2.730 0.841 -5.390
186 1HB ASN 28 HB2 ASN 28 3.407 -1.847 -4.178
187 2HB ASN 28 HB1 ASN 28 2.341 -1.586 -5.557
188 1HD2 ASN 28 HD21 ASN 28 4.827 -3.136 -5.345
189 2HD2 ASN 28 HD22 ASN 28 5.873 -2.472 -6.548
190 H ALA 29 HN ALA 29 1.004 1.870 -4.503
191 HA ALA 29 HA ALA 29 -0.597 0.364 -2.538
192 1HB ALA 29 HB1 ALA 29 0.833 2.054 -1.385
193 2HB ALA 29 HB2 ALA 29 -0.897 2.260 -1.142
194 3HB ALA 29 HB3 ALA 29 -0.028 3.309 -2.254
195 H LYS 30 HN LYS 30 -2.788 0.934 -2.474
196 HA LYS 30 HA LYS 30 -3.835 2.903 -4.315
197 1HB LYS 30 HB2 LYS 30 -3.615 0.687 -5.608
198 2HB LYS 30 HB1 LYS 30 -4.901 0.079 -4.575
199 1HG LYS 30 HG2 LYS 30 -6.297 2.012 -5.376
200 2HG LYS 30 HG1 LYS 30 -5.000 2.403 -6.491
201 1HD LYS 30 HD2 LYS 30 -6.457 1.155 -7.785
202 2HD LYS 30 HD1 LYS 30 -5.238 -0.028 -7.315
203 1HE LYS 30 HE2 LYS 30 -7.396 -1.024 -7.074
204 2HE LYS 30 HE1 LYS 30 -6.754 -0.738 -5.458
205 1HZ LYS 30 HZ1 LYS 30 -8.177 1.111 -5.176
206 2HZ LYS 30 HZ2 LYS 30 -9.138 -0.121 -5.812
207 3HZ LYS 30 HZ3 LYS 30 -8.622 1.142 -6.810
208 H CYS 31 HN CYS 31 -6.113 3.347 -3.835
209 HA CYS 31 HA CYS 31 -6.637 2.722 -1.023
210 1HB CYS 31 HB2 CYS 31 -8.058 4.569 -0.988
211 2HB CYS 31 HB1 CYS 31 -6.639 5.082 -1.886
212 H ILE 32 HN ILE 32 -8.545 1.913 -0.274
213 HA ILE 32 HA ILE 32 -10.551 0.997 -2.235
214 HB ILE 32 HB ILE 32 -11.107 -0.893 -0.734
215 1HG1 ILE 32 HG12 ILE 32 -8.507 -0.222 0.676
216 2HG1 ILE 32 HG11 ILE 32 -10.107 0.046 1.349
217 1HG2 ILE 32 HG21 ILE 32 -9.681 -1.220 -2.706
218 2HG2 ILE 32 HG22 ILE 32 -9.305 -2.357 -1.417
219 3HG2 ILE 32 HG23 ILE 32 -8.252 -0.971 -1.703
220 1HD1 ILE 32 HD11 ILE 32 -8.828 -2.589 0.717
221 2HD1 ILE 32 HD12 ILE 32 -10.519 -2.398 1.183
222 3HD1 ILE 32 HD13 ILE 32 -9.237 -1.932 2.300
223 H ASN 33 HN ASN 33 -12.699 0.798 -1.164
224 HA ASN 33 HA ASN 33 -13.295 3.314 -0.051
225 1HB ASN 33 HB2 ASN 33 -15.638 2.534 0.006
226 2HB ASN 33 HB1 ASN 33 -14.847 2.230 -1.532
227 1HD2 ASN 33 HD21 ASN 33 -17.196 0.973 -0.314
228 2HD2 ASN 33 HD22 ASN 33 -16.836 -0.716 -0.267
229 H LYS 34 HN LYS 34 -11.725 2.817 1.782
230 HA LYS 34 HA LYS 34 -13.004 3.137 4.160
231 1HB LYS 34 HB2 LYS 34 -13.606 0.757 4.137
232 2HB LYS 34 HB1 LYS 34 -11.917 0.319 3.906
233 1HG LYS 34 HG2 LYS 34 -11.500 1.541 6.132
234 2HG LYS 34 HG1 LYS 34 -13.249 1.514 6.317
235 1HD LYS 34 HD2 LYS 34 -13.277 -0.869 6.332
236 2HD LYS 34 HD1 LYS 34 -11.574 -0.951 5.865
237 1HE LYS 34 HE2 LYS 34 -10.979 0.194 7.980
238 2HE LYS 34 HE1 LYS 34 -12.679 0.148 8.448
239 1HZ LYS 34 HZ1 LYS 34 -10.959 -2.215 7.930
240 2HZ LYS 34 HZ2 LYS 34 -12.590 -2.263 8.384
241 3HZ LYS 34 HZ3 LYS 34 -11.433 -1.643 9.449
242 H SER 35 HN SER 35 -10.134 1.776 2.598
243 HA SER 35 HA SER 35 -8.368 3.509 4.121
244 1HB SER 35 HB2 SER 35 -7.115 1.511 5.039
245 2HB SER 35 HB1 SER 35 -8.716 1.753 5.729
246 HG SER 35 HG SER 35 -9.490 0.058 4.575
247 H CYS 36 HN CYS 36 -5.991 2.674 3.670
248 HA CYS 36 HA CYS 36 -5.748 2.391 0.762
249 1HB CYS 36 HB2 CYS 36 -3.626 2.904 2.846
250 2HB CYS 36 HB1 CYS 36 -3.437 2.964 1.106
251 H LYS 37 HN LYS 37 -4.931 0.573 -0.199
252 HA LYS 37 HA LYS 37 -4.041 -1.599 1.600
253 1HB LYS 37 HB2 LYS 37 -4.735 -3.183 -0.011
254 2HB LYS 37 HB1 LYS 37 -6.097 -2.145 0.344
255 1HG LYS 37 HG2 LYS 37 -5.922 -1.004 -1.715
256 2HG LYS 37 HG1 LYS 37 -4.365 -1.732 -2.089
257 1HD LYS 37 HD2 LYS 37 -6.996 -3.185 -1.888
258 2HD LYS 37 HD1 LYS 37 -6.132 -2.780 -3.373
259 1HE LYS 37 HE2 LYS 37 -4.228 -4.167 -2.598
260 2HE LYS 37 HE1 LYS 37 -5.175 -4.634 -1.188
261 1HZ LYS 37 HZ1 LYS 37 -5.910 -5.183 -4.001
262 2HZ LYS 37 HZ2 LYS 37 -6.814 -5.623 -2.637
263 3HZ LYS 37 HZ3 LYS 37 -5.286 -6.299 -2.893
264 H CYS 38 HN CYS 38 -2.157 -2.635 1.135
265 HA CYS 38 HA CYS 38 -0.383 -1.239 -0.768
266 1HB CYS 38 HB2 CYS 38 0.384 -3.112 1.484
267 2HB CYS 38 HB1 CYS 38 1.426 -2.009 0.587
268 H TYR 39 HN TYR 39 0.781 -2.391 -2.287
269 HA TYR 39 HA TYR 39 -0.413 -4.891 -3.146
270 1HB TYR 39 HB2 TYR 39 1.919 -3.322 -4.238
271 2HB TYR 39 HB1 TYR 39 1.254 -4.749 -4.998
272 HD1 TYR 39 HD1 TYR 39 0.790 -3.624 -7.071
273 HD2 TYR 39 HD2 TYR 39 -0.933 -2.177 -3.457
274 HE1 TYR 39 HE1 TYR 39 -0.746 -2.201 -8.352
275 HE2 TYR 39 HE2 TYR 39 -2.446 -0.783 -4.711
276 HH TYR 39 HH TYR 39 -2.164 0.276 -7.434
277 H GLY 40 HN GLY 40 2.226 -3.915 -1.196
278 1HA GLY 40 HA2 GLY 40 3.266 -5.557 0.197
279 2HA GLY 40 HA1 GLY 40 3.266 -6.680 -1.153
280 H CYS 41 HN CYS 41 5.569 -6.844 -0.638
281 HA CYS 41 HA CYS 41 7.136 -5.289 -2.426
282 1HB CYS 41 HB2 CYS 41 6.872 -3.665 -0.504
283 2HB CYS 41 HB1 CYS 41 7.721 -4.807 0.511
Start of MODEL 20
1 1H TRP 1 HT1 TRP 1 3.860 3.875 15.634
2 2H TRP 1 HT2 TRP 1 2.532 4.483 14.728
3 3H TRP 1 HT3 TRP 1 3.699 5.560 15.387
4 HA TRP 1 HA TRP 1 5.387 4.655 14.004
5 1HB TRP 1 HB2 TRP 1 4.331 2.384 13.887
6 2HB TRP 1 HB1 TRP 1 3.159 2.992 12.750
7 HD1 TRP 1 HD1 TRP 1 4.281 3.914 10.325
8 HE1 TRP 1 HE1 TRP 1 6.262 2.920 9.022
9 HE3 TRP 1 HE3 TRP 1 6.446 1.210 14.081
10 HZ2 TRP 1 HZ2 TRP 1 8.455 1.216 9.518
11 HZ3 TRP 1 HZ3 TRP 1 8.483 -0.076 13.584
12 HH2 TRP 1 HH2 TRP 1 9.465 -0.073 11.349
13 H CYS 2 HN CYS 2 2.424 4.477 12.118
14 HA CYS 2 HA CYS 2 3.079 6.997 10.796
15 1HB CYS 2 HB2 CYS 2 1.228 6.291 9.264
16 2HB CYS 2 HB1 CYS 2 2.645 5.258 9.255
17 H SER 3 HN SER 3 2.031 8.814 11.354
18 HA SER 3 HA SER 3 -0.143 8.736 13.277
19 1HB SER 3 HB2 SER 3 0.852 11.153 11.749
20 2HB SER 3 HB1 SER 3 0.043 11.103 13.319
21 HG SER 3 HG SER 3 1.876 10.334 14.245
22 H THR 4 HN THR 4 0.329 9.262 9.845
23 HA THR 4 HA THR 4 -2.552 8.943 9.435
24 HB THR 4 HB THR 4 -0.865 11.018 7.996
25 HG1 THR 4 HG1 THR 4 -1.905 12.499 9.229
26 1HG2 THR 4 HG21 THR 4 -2.465 11.135 6.466
27 2HG2 THR 4 HG22 THR 4 -3.712 11.285 7.697
28 3HG2 THR 4 HG23 THR 4 -3.214 9.694 7.143
29 H CYS 5 HN CYS 5 -2.495 6.934 8.555
30 HA CYS 5 HA CYS 5 -0.885 6.580 6.109
31 1HB CYS 5 HB2 CYS 5 -0.317 4.247 6.945
32 2HB CYS 5 HB1 CYS 5 0.514 5.585 7.690
33 H LEU 6 HN LEU 6 -3.167 4.766 8.153
34 HA LEU 6 HA LEU 6 -4.466 3.730 5.772
35 1HB LEU 6 HB2 LEU 6 -5.650 2.258 7.153
36 2HB LEU 6 HB1 LEU 6 -3.999 2.248 7.736
37 HG LEU 6 HG LEU 6 -6.234 3.804 9.063
38 1HD1 LEU 6 HD11 LEU 6 -6.694 1.412 9.123
39 2HD1 LEU 6 HD12 LEU 6 -6.278 2.033 10.718
40 3HD1 LEU 6 HD13 LEU 6 -5.088 1.116 9.792
41 1HD2 LEU 6 HD21 LEU 6 -4.609 3.705 11.002
42 2HD2 LEU 6 HD22 LEU 6 -4.156 4.761 9.680
43 3HD2 LEU 6 HD23 LEU 6 -3.395 3.175 9.844
44 H ASP 7 HN ASP 7 -4.489 6.525 7.310
45 HA ASP 7 HA ASP 7 -7.327 6.956 7.624
46 1HB ASP 7 HB2 ASP 7 -5.129 9.025 7.811
47 2HB ASP 7 HB1 ASP 7 -6.722 9.045 8.560
48 H LEU 8 HN LEU 8 -5.265 6.844 5.066
49 HA LEU 8 HA LEU 8 -6.230 9.170 3.663
50 1HB LEU 8 HB2 LEU 8 -4.299 6.963 2.964
51 2HB LEU 8 HB1 LEU 8 -4.801 8.157 1.787
52 HG LEU 8 HG LEU 8 -2.742 8.919 2.534
53 1HD1 LEU 8 HD11 LEU 8 -3.202 11.017 3.605
54 2HD1 LEU 8 HD12 LEU 8 -4.762 10.449 4.176
55 3HD1 LEU 8 HD13 LEU 8 -4.467 10.659 2.461
56 1HD2 LEU 8 HD21 LEU 8 -3.658 8.450 5.368
57 2HD2 LEU 8 HD22 LEU 8 -2.137 9.195 4.892
58 3HD2 LEU 8 HD23 LEU 8 -2.461 7.524 4.473
59 H ALA 9 HN ALA 9 -8.416 7.857 4.203
60 HA ALA 9 HA ALA 9 -9.225 5.749 2.648
61 1HB ALA 9 HB1 ALA 9 -10.490 6.595 4.555
62 2HB ALA 9 HB2 ALA 9 -11.512 6.434 3.128
63 3HB ALA 9 HB3 ALA 9 -10.930 8.026 3.624
64 H CYS 10 HN CYS 10 -8.282 6.082 0.585
65 HA CYS 10 HA CYS 10 -8.132 6.765 -1.523
66 1HB CYS 10 HB2 CYS 10 -11.094 7.057 -1.055
67 2HB CYS 10 HB1 CYS 10 -10.390 7.440 -2.625
68 H THR 11 HN THR 11 -7.110 8.497 0.134
69 HA THR 11 HA THR 11 -8.000 11.176 -0.654
70 HB THR 11 HB THR 11 -5.528 10.418 0.933
71 HG1 THR 11 HG1 THR 11 -6.912 10.892 2.780
72 1HG2 THR 11 HG21 THR 11 -7.111 12.980 0.662
73 2HG2 THR 11 HG22 THR 11 -5.450 12.690 0.145
74 3HG2 THR 11 HG23 THR 11 -5.845 12.715 1.860
75 H GLY 12 HN GLY 12 -6.056 8.644 -1.751
76 1HA GLY 12 HA2 GLY 12 -5.372 9.328 -4.142
77 2HA GLY 12 HA1 GLY 12 -4.257 10.378 -3.280
78 H SER 13 HN SER 13 -4.348 7.582 -4.862
79 HA SER 13 HA SER 13 -3.044 5.698 -3.245
80 1HB SER 13 HB2 SER 13 -2.378 6.094 -6.171
81 2HB SER 13 HB1 SER 13 -2.480 4.597 -5.255
82 HG SER 13 HG SER 13 -4.482 6.070 -6.464
83 H LYS 14 HN LYS 14 -1.792 8.296 -5.299
84 HA LYS 14 HA LYS 14 0.916 7.859 -4.854
85 1HB LYS 14 HB2 LYS 14 1.278 10.109 -5.732
86 2HB LYS 14 HB1 LYS 14 0.131 9.187 -6.689
87 1HG LYS 14 HG2 LYS 14 -1.728 10.382 -5.593
88 2HG LYS 14 HG1 LYS 14 -0.557 11.310 -4.660
89 1HD LYS 14 HD2 LYS 14 -1.334 12.601 -6.558
90 2HD LYS 14 HD1 LYS 14 0.379 12.217 -6.742
91 1HE LYS 14 HE2 LYS 14 -0.231 10.355 -8.250
92 2HE LYS 14 HE1 LYS 14 -1.928 10.794 -8.073
93 1HZ LYS 14 HZ1 LYS 14 -1.423 12.934 -9.073
94 2HZ LYS 14 HZ2 LYS 14 -0.971 11.667 -10.098
95 3HZ LYS 14 HZ3 LYS 14 0.210 12.504 -9.224
96 H ASP 15 HN ASP 15 -1.457 9.424 -2.893
97 HA ASP 15 HA ASP 15 0.421 10.844 -1.260
98 1HB ASP 15 HB2 ASP 15 -2.076 11.386 -1.557
99 2HB ASP 15 HB1 ASP 15 -2.394 10.067 -0.434
100 H CYS 16 HN CYS 16 -1.395 7.815 -1.036
101 HA CYS 16 HA CYS 16 -0.334 7.221 1.569
102 1HB CYS 16 HB2 CYS 16 -2.612 6.573 0.870
103 2HB CYS 16 HB1 CYS 16 -1.919 5.458 -0.303
104 H TYR 17 HN TYR 17 0.949 6.889 -1.547
105 HA TYR 17 HA TYR 17 2.351 4.517 -1.574
106 1HB TYR 17 HB2 TYR 17 3.128 7.309 -2.400
107 2HB TYR 17 HB1 TYR 17 4.269 5.983 -2.577
108 HD1 TYR 17 HD1 TYR 17 3.582 7.518 -4.881
109 HD2 TYR 17 HD2 TYR 17 1.516 4.181 -3.217
110 HE1 TYR 17 HE1 TYR 17 2.652 6.987 -7.086
111 HE2 TYR 17 HE2 TYR 17 0.586 3.655 -5.406
112 HH TYR 17 HH TYR 17 0.222 5.492 -7.746
113 H ALA 18 HN ALA 18 3.383 7.519 0.026
114 HA ALA 18 HA ALA 18 5.778 6.468 1.015
115 1HB ALA 18 HB1 ALA 18 5.280 8.455 2.793
116 2HB ALA 18 HB2 ALA 18 4.204 8.906 1.471
117 3HB ALA 18 HB3 ALA 18 5.920 8.680 1.170
118 HA PRO 19 HA PRO 19 3.531 5.772 5.363
119 1HB PRO 19 HB2 PRO 19 0.768 5.320 4.296
120 2HB PRO 19 HB1 PRO 19 1.308 6.036 5.813
121 1HG PRO 19 HG2 PRO 19 0.403 7.566 3.854
122 2HG PRO 19 HG1 PRO 19 1.771 8.082 4.859
123 1HD PRO 19 HD2 PRO 19 1.778 7.025 2.090
124 2HD PRO 19 HD1 PRO 19 2.771 8.257 2.821
125 H CYS 20 HN CYS 20 2.010 4.210 2.532
126 HA CYS 20 HA CYS 20 1.895 1.617 3.633
127 1HB CYS 20 HB2 CYS 20 0.588 2.123 1.682
128 2HB CYS 20 HB1 CYS 20 2.024 2.557 0.764
129 H ARG 21 HN ARG 21 4.326 3.197 1.585
130 HA ARG 21 HA ARG 21 6.036 0.969 1.351
131 1HB ARG 21 HB2 ARG 21 6.020 3.074 -0.050
132 2HB ARG 21 HB1 ARG 21 6.870 3.877 1.265
133 1HG ARG 21 HG2 ARG 21 8.705 2.257 1.027
134 2HG ARG 21 HG1 ARG 21 7.839 1.491 -0.308
135 1HD ARG 21 HD2 ARG 21 7.856 3.681 -1.491
136 2HD ARG 21 HD1 ARG 21 8.855 4.310 -0.189
137 HE ARG 21 HE ARG 21 9.687 2.029 -1.885
138 1HH1 ARG 21 HH11 ARG 21 10.403 5.126 -0.368
139 2HH1 ARG 21 HH12 ARG 21 11.984 5.202 -1.032
140 1HH2 ARG 21 HH21 ARG 21 11.788 2.165 -2.748
141 2HH2 ARG 21 HH22 ARG 21 12.782 3.535 -2.378
142 H LYS 22 HN LYS 22 5.912 3.619 3.700
143 HA LYS 22 HA LYS 22 8.334 2.998 5.010
144 1HB LYS 22 HB2 LYS 22 6.945 5.133 5.191
145 2HB LYS 22 HB1 LYS 22 5.918 4.265 6.327
146 1HG LYS 22 HG2 LYS 22 7.901 3.877 7.758
147 2HG LYS 22 HG1 LYS 22 8.869 4.823 6.622
148 1HD LYS 22 HD2 LYS 22 7.224 6.723 7.026
149 2HD LYS 22 HD1 LYS 22 6.586 5.753 8.357
150 1HE LYS 22 HE2 LYS 22 9.422 6.741 8.059
151 2HE LYS 22 HE1 LYS 22 8.204 7.384 9.157
152 1HZ LYS 22 HZ1 LYS 22 9.634 5.950 10.371
153 2HZ LYS 22 HZ2 LYS 22 9.454 4.694 9.258
154 3HZ LYS 22 HZ3 LYS 22 8.146 5.159 10.228
155 H GLN 23 HN GLN 23 4.997 1.887 5.501
156 HA GLN 23 HA GLN 23 5.667 0.391 7.873
157 1HB GLN 23 HB2 GLN 23 3.218 0.350 6.108
158 2HB GLN 23 HB1 GLN 23 3.378 -0.565 7.605
159 1HG GLN 23 HG2 GLN 23 3.717 1.584 8.805
160 2HG GLN 23 HG1 GLN 23 3.364 2.431 7.305
161 1HE2 GLN 23 HE21 GLN 23 1.248 2.310 6.438
162 2HE2 GLN 23 HE22 GLN 23 -0.085 1.852 7.437
163 H THR 24 HN THR 24 4.709 -0.590 4.559
164 HA THR 24 HA THR 24 5.448 -3.332 5.215
165 HB THR 24 HB THR 24 4.439 -3.912 3.041
166 HG1 THR 24 HG1 THR 24 3.712 -2.346 1.666
167 1HG2 THR 24 HG21 THR 24 2.740 -2.015 4.664
168 2HG2 THR 24 HG22 THR 24 2.987 -3.731 4.996
169 3HG2 THR 24 HG23 THR 24 2.148 -3.228 3.529
170 H GLY 25 HN GLY 25 6.492 -0.803 2.956
171 1HA GLY 25 HA2 GLY 25 8.864 -0.784 2.310
172 2HA GLY 25 HA1 GLY 25 8.787 -2.532 2.200
173 H CYS 26 HN CYS 26 5.910 -2.017 1.114
174 HA CYS 26 HA CYS 26 6.747 -2.073 -1.640
175 1HB CYS 26 HB2 CYS 26 5.040 -3.647 -0.728
176 2HB CYS 26 HB1 CYS 26 3.980 -2.303 -0.486
177 HA PRO 27 HA PRO 27 5.582 2.251 -2.154
178 1HB PRO 27 HB2 PRO 27 6.567 2.596 -4.613
179 2HB PRO 27 HB1 PRO 27 7.633 2.328 -3.231
180 1HG PRO 27 HG2 PRO 27 6.752 0.392 -5.330
181 2HG PRO 27 HG1 PRO 27 8.358 0.617 -4.614
182 1HD PRO 27 HD2 PRO 27 6.536 -1.329 -3.851
183 2HD PRO 27 HD1 PRO 27 7.883 -0.741 -2.855
184 H ASN 28 HN ASN 28 3.935 -0.325 -3.262
185 HA ASN 28 HA ASN 28 2.252 1.235 -5.072
186 1HB ASN 28 HB2 ASN 28 2.773 -1.739 -5.034
187 2HB ASN 28 HB1 ASN 28 1.521 -0.978 -5.994
188 1HD2 ASN 28 HD21 ASN 28 3.243 1.405 -6.553
189 2HD2 ASN 28 HD22 ASN 28 4.366 0.836 -7.711
190 H ALA 29 HN ALA 29 0.543 1.941 -4.081
191 HA ALA 29 HA ALA 29 -0.982 0.072 -2.381
192 1HB ALA 29 HB1 ALA 29 -1.094 1.475 -0.635
193 2HB ALA 29 HB2 ALA 29 -0.980 2.943 -1.608
194 3HB ALA 29 HB3 ALA 29 0.467 2.005 -1.240
195 H LYS 30 HN LYS 30 -3.129 0.098 -2.717
196 HA LYS 30 HA LYS 30 -4.293 2.231 -4.397
197 1HB LYS 30 HB2 LYS 30 -3.678 0.109 -5.682
198 2HB LYS 30 HB1 LYS 30 -4.908 -0.723 -4.748
199 1HG LYS 30 HG2 LYS 30 -5.509 1.731 -6.391
200 2HG LYS 30 HG1 LYS 30 -5.509 0.106 -7.078
201 1HD LYS 30 HD2 LYS 30 -7.206 -0.563 -5.403
202 2HD LYS 30 HD1 LYS 30 -7.254 1.091 -4.824
203 1HE LYS 30 HE2 LYS 30 -7.907 0.239 -7.624
204 2HE LYS 30 HE1 LYS 30 -9.082 0.593 -6.360
205 1HZ LYS 30 HZ1 LYS 30 -8.131 2.860 -6.243
206 2HZ LYS 30 HZ2 LYS 30 -8.843 2.497 -7.731
207 3HZ LYS 30 HZ3 LYS 30 -7.162 2.491 -7.582
208 H CYS 31 HN CYS 31 -6.152 2.996 -3.547
209 HA CYS 31 HA CYS 31 -6.958 1.876 -1.027
210 1HB CYS 31 HB2 CYS 31 -8.244 3.853 -0.699
211 2HB CYS 31 HB1 CYS 31 -6.689 4.307 -1.374
212 H ILE 32 HN ILE 32 -8.487 0.426 -0.744
213 HA ILE 32 HA ILE 32 -10.859 0.453 -2.495
214 HB ILE 32 HB ILE 32 -10.967 -2.015 -2.381
215 1HG1 ILE 32 HG12 ILE 32 -8.118 -1.892 -1.384
216 2HG1 ILE 32 HG11 ILE 32 -9.479 -2.232 -0.338
217 1HG2 ILE 32 HG21 ILE 32 -8.437 -0.990 -3.657
218 2HG2 ILE 32 HG22 ILE 32 -10.053 -0.913 -4.358
219 3HG2 ILE 32 HG23 ILE 32 -9.289 -2.476 -4.079
220 1HD1 ILE 32 HD11 ILE 32 -8.207 -3.925 -2.374
221 2HD1 ILE 32 HD12 ILE 32 -9.945 -4.109 -2.123
222 3HD1 ILE 32 HD13 ILE 32 -8.831 -4.325 -0.778
223 H ASN 33 HN ASN 33 -12.759 0.126 -1.431
224 HA ASN 33 HA ASN 33 -14.181 0.331 0.323
225 1HB ASN 33 HB2 ASN 33 -12.353 -1.801 1.463
226 2HB ASN 33 HB1 ASN 33 -13.933 -1.387 2.123
227 1HD2 ASN 33 HD21 ASN 33 -15.795 -2.028 1.017
228 2HD2 ASN 33 HD22 ASN 33 -15.732 -3.179 -0.269
229 H LYS 34 HN LYS 34 -12.495 2.375 0.279
230 HA LYS 34 HA LYS 34 -11.772 4.139 1.476
231 1HB LYS 34 HB2 LYS 34 -12.420 2.595 3.983
232 2HB LYS 34 HB1 LYS 34 -12.099 4.316 3.864
233 1HG LYS 34 HG2 LYS 34 -14.141 4.499 2.412
234 2HG LYS 34 HG1 LYS 34 -14.491 2.817 2.822
235 1HD LYS 34 HD2 LYS 34 -14.284 5.154 4.716
236 2HD LYS 34 HD1 LYS 34 -15.739 4.251 4.295
237 1HE LYS 34 HE2 LYS 34 -13.345 3.128 5.774
238 2HE LYS 34 HE1 LYS 34 -14.862 3.630 6.490
239 1HZ LYS 34 HZ1 LYS 34 -14.525 1.421 4.545
240 2HZ LYS 34 HZ2 LYS 34 -16.006 1.944 5.177
241 3HZ LYS 34 HZ3 LYS 34 -14.840 1.272 6.199
242 H SER 35 HN SER 35 -10.587 0.966 2.310
243 HA SER 35 HA SER 35 -8.394 1.889 3.830
244 1HB SER 35 HB2 SER 35 -9.512 -0.257 4.239
245 2HB SER 35 HB1 SER 35 -8.962 -0.851 2.674
246 HG SER 35 HG SER 35 -7.635 -1.455 4.515
247 H CYS 36 HN CYS 36 -6.470 2.533 3.131
248 HA CYS 36 HA CYS 36 -5.560 2.329 0.419
249 1HB CYS 36 HB2 CYS 36 -4.722 4.088 1.862
250 2HB CYS 36 HB1 CYS 36 -4.100 2.901 3.003
251 H LYS 37 HN LYS 37 -5.465 0.248 -0.318
252 HA LYS 37 HA LYS 37 -4.391 -1.836 1.424
253 1HB LYS 37 HB2 LYS 37 -6.415 -1.730 -0.482
254 2HB LYS 37 HB1 LYS 37 -5.185 -2.686 -1.261
255 1HG LYS 37 HG2 LYS 37 -6.263 -3.212 1.510
256 2HG LYS 37 HG1 LYS 37 -6.896 -3.956 0.048
257 1HD LYS 37 HD2 LYS 37 -4.025 -4.177 0.956
258 2HD LYS 37 HD1 LYS 37 -5.277 -5.372 1.300
259 1HE LYS 37 HE2 LYS 37 -5.618 -5.715 -1.099
260 2HE LYS 37 HE1 LYS 37 -4.369 -4.525 -1.454
261 1HZ LYS 37 HZ1 LYS 37 -3.470 -6.715 -1.616
262 2HZ LYS 37 HZ2 LYS 37 -3.979 -7.105 -0.052
263 3HZ LYS 37 HZ3 LYS 37 -2.771 -5.943 -0.284
264 H CYS 38 HN CYS 38 -2.389 -2.525 1.303
265 HA CYS 38 HA CYS 38 -0.654 -1.642 -0.880
266 1HB CYS 38 HB2 CYS 38 -0.056 -3.153 1.677
267 2HB CYS 38 HB1 CYS 38 1.150 -2.585 0.527
268 H TYR 39 HN TYR 39 0.395 -3.074 -2.268
269 HA TYR 39 HA TYR 39 -1.102 -5.479 -2.778
270 1HB TYR 39 HB2 TYR 39 1.232 -4.168 -4.161
271 2HB TYR 39 HB1 TYR 39 0.582 -5.716 -4.693
272 HD1 TYR 39 HD1 TYR 39 -1.747 -5.865 -5.534
273 HD2 TYR 39 HD2 TYR 39 0.069 -2.123 -4.657
274 HE1 TYR 39 HE1 TYR 39 -3.479 -4.721 -6.842
275 HE2 TYR 39 HE2 TYR 39 -1.661 -0.964 -5.955
276 HH TYR 39 HH TYR 39 -3.398 -2.118 -8.136
277 H GLY 40 HN GLY 40 1.268 -4.963 -0.585
278 1HA GLY 40 HA2 GLY 40 2.480 -6.375 0.684
279 2HA GLY 40 HA1 GLY 40 1.705 -7.711 -0.155
280 H CYS 41 HN CYS 41 4.484 -5.620 -0.039
281 HA CYS 41 HA CYS 41 5.770 -7.276 -2.135
282 1HB CYS 41 HB2 CYS 41 6.303 -4.340 -1.750
283 2HB CYS 41 HB1 CYS 41 6.781 -5.372 -3.053
Start of MODEL 21
1 1H TRP 1 HT1 TRP 1 6.558 0.099 11.986
2 2H TRP 1 HT2 TRP 1 6.488 1.391 10.855
3 3H TRP 1 HT3 TRP 1 6.695 -0.212 10.305
4 HA TRP 1 HA TRP 1 4.503 0.410 9.901
5 1HB TRP 1 HB2 TRP 1 4.593 -1.341 12.376
6 2HB TRP 1 HB1 TRP 1 3.303 -1.290 11.178
7 HD1 TRP 1 HD1 TRP 1 4.164 -2.056 8.573
8 HE1 TRP 1 HE1 TRP 1 5.720 -4.012 7.967
9 HE3 TRP 1 HE3 TRP 1 6.413 -2.756 13.114
10 HZ2 TRP 1 HZ2 TRP 1 7.634 -5.641 9.235
11 HZ3 TRP 1 HZ3 TRP 1 8.095 -4.538 13.332
12 HH2 TRP 1 HH2 TRP 1 8.689 -5.953 11.433
13 H CYS 2 HN CYS 2 3.156 2.055 10.269
14 HA CYS 2 HA CYS 2 3.160 3.407 12.847
15 1HB CYS 2 HB2 CYS 2 3.371 4.741 10.817
16 2HB CYS 2 HB1 CYS 2 1.842 4.126 10.236
17 H SER 3 HN SER 3 1.758 2.766 14.348
18 HA SER 3 HA SER 3 -0.461 1.064 13.701
19 1HB SER 3 HB2 SER 3 -0.851 1.228 16.221
20 2HB SER 3 HB1 SER 3 0.698 0.570 15.694
21 HG SER 3 HG SER 3 1.703 2.262 16.497
22 H THR 4 HN THR 4 -0.135 4.405 13.693
23 HA THR 4 HA THR 4 -3.027 4.775 14.065
24 HB THR 4 HB THR 4 -2.215 7.259 14.471
25 HG1 THR 4 HG1 THR 4 -0.147 7.438 15.165
26 1HG2 THR 4 HG21 THR 4 -3.367 5.891 16.131
27 2HG2 THR 4 HG22 THR 4 -2.064 6.833 16.855
28 3HG2 THR 4 HG23 THR 4 -1.841 5.110 16.553
29 H CYS 5 HN CYS 5 -1.310 4.100 11.635
30 HA CYS 5 HA CYS 5 -2.209 6.365 9.960
31 1HB CYS 5 HB2 CYS 5 0.227 4.638 9.584
32 2HB CYS 5 HB1 CYS 5 -0.305 5.901 8.498
33 H LEU 6 HN LEU 6 -4.008 4.398 10.432
34 HA LEU 6 HA LEU 6 -3.921 2.762 7.964
35 1HB LEU 6 HB2 LEU 6 -5.378 2.304 10.570
36 2HB LEU 6 HB1 LEU 6 -5.705 1.390 9.113
37 HG LEU 6 HG LEU 6 -4.328 0.014 10.412
38 1HD1 LEU 6 HD11 LEU 6 -3.718 0.204 8.004
39 2HD1 LEU 6 HD12 LEU 6 -2.410 -0.337 9.052
40 3HD1 LEU 6 HD13 LEU 6 -2.433 1.323 8.467
41 1HD2 LEU 6 HD21 LEU 6 -2.291 2.214 10.727
42 2HD2 LEU 6 HD22 LEU 6 -2.321 0.637 11.501
43 3HD2 LEU 6 HD23 LEU 6 -3.524 1.847 11.933
44 H ASP 7 HN ASP 7 -5.200 5.545 9.197
45 HA ASP 7 HA ASP 7 -7.842 5.177 7.987
46 1HB ASP 7 HB2 ASP 7 -6.715 7.310 9.806
47 2HB ASP 7 HB1 ASP 7 -8.343 7.351 9.133
48 H LEU 8 HN LEU 8 -6.225 5.208 5.943
49 HA LEU 8 HA LEU 8 -6.229 7.987 4.920
50 1HB LEU 8 HB2 LEU 8 -4.645 5.570 4.049
51 2HB LEU 8 HB1 LEU 8 -4.751 7.046 3.109
52 HG LEU 8 HG LEU 8 -3.808 8.246 5.172
53 1HD1 LEU 8 HD11 LEU 8 -3.185 5.388 5.901
54 2HD1 LEU 8 HD12 LEU 8 -4.078 6.574 6.850
55 3HD1 LEU 8 HD13 LEU 8 -2.356 6.786 6.585
56 1HD2 LEU 8 HD21 LEU 8 -2.069 6.273 3.693
57 2HD2 LEU 8 HD22 LEU 8 -1.528 7.737 4.518
58 3HD2 LEU 8 HD23 LEU 8 -2.563 7.859 3.099
59 H ALA 9 HN ALA 9 -8.639 6.836 5.108
60 HA ALA 9 HA ALA 9 -9.540 5.124 3.178
61 1HB ALA 9 HB1 ALA 9 -11.778 6.015 3.633
62 2HB ALA 9 HB2 ALA 9 -11.054 7.414 4.426
63 3HB ALA 9 HB3 ALA 9 -10.849 5.805 5.116
64 H CYS 10 HN CYS 10 -8.451 5.644 1.229
65 HA CYS 10 HA CYS 10 -8.161 6.546 -0.781
66 1HB CYS 10 HB2 CYS 10 -11.069 7.198 -0.337
67 2HB CYS 10 HB1 CYS 10 -10.257 7.689 -1.819
68 H THR 11 HN THR 11 -6.935 7.905 1.046
69 HA THR 11 HA THR 11 -7.451 10.759 0.730
70 HB THR 11 HB THR 11 -4.915 9.443 1.791
71 HG1 THR 11 HG1 THR 11 -7.296 10.113 3.246
72 1HG2 THR 11 HG21 THR 11 -5.712 11.843 3.129
73 2HG2 THR 11 HG22 THR 11 -5.673 12.156 1.396
74 3HG2 THR 11 HG23 THR 11 -4.248 11.518 2.210
75 H GLY 12 HN GLY 12 -6.174 8.223 -1.057
76 1HA GLY 12 HA2 GLY 12 -5.776 8.874 -3.380
77 2HA GLY 12 HA1 GLY 12 -4.600 10.032 -2.774
78 H SER 13 HN SER 13 -4.587 7.347 -4.417
79 HA SER 13 HA SER 13 -2.956 5.577 -2.923
80 1HB SER 13 HB2 SER 13 -2.252 4.813 -5.309
81 2HB SER 13 HB1 SER 13 -3.931 4.626 -4.814
82 HG SER 13 HG SER 13 -2.812 6.540 -6.552
83 H LYS 14 HN LYS 14 -2.239 8.267 -5.080
84 HA LYS 14 HA LYS 14 0.542 8.240 -5.096
85 1HB LYS 14 HB2 LYS 14 0.346 10.737 -5.346
86 2HB LYS 14 HB1 LYS 14 -0.574 9.780 -6.495
87 1HG LYS 14 HG2 LYS 14 -2.618 10.161 -5.248
88 2HG LYS 14 HG1 LYS 14 -1.731 11.046 -4.025
89 1HD LYS 14 HD2 LYS 14 -1.807 11.857 -6.926
90 2HD LYS 14 HD1 LYS 14 -2.977 12.419 -5.733
91 1HE LYS 14 HE2 LYS 14 0.002 12.783 -5.417
92 2HE LYS 14 HE1 LYS 14 -1.055 13.964 -6.175
93 1HZ LYS 14 HZ1 LYS 14 -1.170 13.023 -3.370
94 2HZ LYS 14 HZ2 LYS 14 -2.358 14.001 -4.074
95 3HZ LYS 14 HZ3 LYS 14 -0.773 14.569 -3.918
96 H ASP 15 HN ASP 15 -1.701 9.339 -2.648
97 HA ASP 15 HA ASP 15 0.347 10.472 -0.965
98 1HB ASP 15 HB2 ASP 15 -2.629 10.048 -0.720
99 2HB ASP 15 HB1 ASP 15 -1.676 10.551 0.673
100 H CYS 16 HN CYS 16 -1.604 7.528 -1.055
101 HA CYS 16 HA CYS 16 -0.768 6.450 1.406
102 1HB CYS 16 HB2 CYS 16 -1.763 5.136 -1.123
103 2HB CYS 16 HB1 CYS 16 -1.436 4.238 0.353
104 H TYR 17 HN TYR 17 0.793 6.566 -1.731
105 HA TYR 17 HA TYR 17 2.534 4.406 -1.481
106 1HB TYR 17 HB2 TYR 17 2.974 7.066 -2.850
107 2HB TYR 17 HB1 TYR 17 4.023 5.667 -3.062
108 HD1 TYR 17 HD1 TYR 17 2.512 7.156 -5.255
109 HD2 TYR 17 HD2 TYR 17 1.534 3.681 -2.982
110 HE1 TYR 17 HE1 TYR 17 1.075 6.352 -7.078
111 HE2 TYR 17 HE2 TYR 17 0.114 2.905 -4.795
112 HH TYR 17 HH TYR 17 -1.093 4.665 -7.108
113 H ALA 18 HN ALA 18 2.786 7.609 -0.062
114 HA ALA 18 HA ALA 18 5.518 7.454 0.612
115 1HB ALA 18 HB1 ALA 18 5.088 9.578 1.007
116 2HB ALA 18 HB2 ALA 18 4.338 9.120 2.532
117 3HB ALA 18 HB3 ALA 18 3.354 9.302 1.083
118 HA PRO 19 HA PRO 19 4.392 6.011 5.015
119 1HB PRO 19 HB2 PRO 19 1.553 5.340 5.177
120 2HB PRO 19 HB1 PRO 19 2.478 6.521 6.107
121 1HG PRO 19 HG2 PRO 19 0.586 7.214 4.294
122 2HG PRO 19 HG1 PRO 19 1.986 8.234 4.674
123 1HD PRO 19 HD2 PRO 19 1.571 6.378 2.401
124 2HD PRO 19 HD1 PRO 19 2.223 7.999 2.388
125 H CYS 20 HN CYS 20 2.626 4.569 2.347
126 HA CYS 20 HA CYS 20 2.526 1.916 3.281
127 1HB CYS 20 HB2 CYS 20 1.280 2.799 1.304
128 2HB CYS 20 HB1 CYS 20 2.791 2.865 0.408
129 H ARG 21 HN ARG 21 4.817 3.522 1.049
130 HA ARG 21 HA ARG 21 6.639 1.386 0.934
131 1HB ARG 21 HB2 ARG 21 6.544 3.376 -0.590
132 2HB ARG 21 HB1 ARG 21 7.286 4.340 0.666
133 1HG ARG 21 HG2 ARG 21 8.600 1.859 -0.407
134 2HG ARG 21 HG1 ARG 21 8.763 3.410 -1.208
135 1HD ARG 21 HD2 ARG 21 9.763 4.383 0.734
136 2HD ARG 21 HD1 ARG 21 9.476 2.940 1.674
137 HE ARG 21 HE ARG 21 11.071 2.406 -0.622
138 1HH1 ARG 21 HH11 ARG 21 11.172 3.667 2.659
139 2HH1 ARG 21 HH12 ARG 21 12.827 3.244 2.880
140 1HH2 ARG 21 HH21 ARG 21 13.250 1.873 -0.311
141 2HH2 ARG 21 HH22 ARG 21 14.016 2.232 1.201
142 H LYS 22 HN LYS 22 6.446 4.187 3.109
143 HA LYS 22 HA LYS 22 8.854 3.752 4.458
144 1HB LYS 22 HB2 LYS 22 7.334 5.809 4.525
145 2HB LYS 22 HB1 LYS 22 6.372 4.946 5.713
146 1HG LYS 22 HG2 LYS 22 7.846 6.393 6.884
147 2HG LYS 22 HG1 LYS 22 8.419 4.740 7.126
148 1HD LYS 22 HD2 LYS 22 10.064 5.117 5.275
149 2HD LYS 22 HD1 LYS 22 9.523 6.792 5.204
150 1HE LYS 22 HE2 LYS 22 11.528 6.686 6.490
151 2HE LYS 22 HE1 LYS 22 10.196 7.033 7.590
152 1HZ LYS 22 HZ1 LYS 22 11.765 5.353 8.428
153 2HZ LYS 22 HZ2 LYS 22 11.350 4.326 7.151
154 3HZ LYS 22 HZ3 LYS 22 10.188 4.760 8.303
155 H GLN 23 HN GLN 23 5.666 2.330 4.950
156 HA GLN 23 HA GLN 23 6.516 1.039 7.433
157 1HB GLN 23 HB2 GLN 23 3.896 0.997 5.934
158 2HB GLN 23 HB1 GLN 23 4.185 0.151 7.451
159 1HG GLN 23 HG2 GLN 23 4.529 2.212 8.605
160 2HG GLN 23 HG1 GLN 23 4.418 3.135 7.116
161 1HE2 GLN 23 HE21 GLN 23 2.369 3.378 6.130
162 2HE2 GLN 23 HE22 GLN 23 0.917 3.073 6.990
163 H THR 24 HN THR 24 5.027 -0.082 4.387
164 HA THR 24 HA THR 24 5.853 -2.782 5.056
165 HB THR 24 HB THR 24 3.535 -2.319 4.320
166 HG1 THR 24 HG1 THR 24 3.568 -4.303 3.591
167 1HG2 THR 24 HG21 THR 24 4.911 -1.267 1.883
168 2HG2 THR 24 HG22 THR 24 3.458 -0.740 2.719
169 3HG2 THR 24 HG23 THR 24 3.403 -2.156 1.687
170 H GLY 25 HN GLY 25 7.318 -0.301 3.326
171 1HA GLY 25 HA2 GLY 25 9.433 -0.578 2.416
172 2HA GLY 25 HA1 GLY 25 9.118 -2.278 2.138
173 H CYS 26 HN CYS 26 6.704 -2.034 0.661
174 HA CYS 26 HA CYS 26 7.815 -0.954 -1.815
175 1HB CYS 26 HB2 CYS 26 5.882 -3.153 -1.260
176 2HB CYS 26 HB1 CYS 26 5.950 -2.430 -2.846
177 HA PRO 27 HA PRO 27 4.659 2.192 -1.717
178 1HB PRO 27 HB2 PRO 27 5.369 3.493 -3.918
179 2HB PRO 27 HB1 PRO 27 6.516 3.346 -2.590
180 1HG PRO 27 HG2 PRO 27 6.315 1.635 -5.052
181 2HG PRO 27 HG1 PRO 27 7.733 2.491 -4.410
182 1HD PRO 27 HD2 PRO 27 7.258 -0.130 -3.895
183 2HD PRO 27 HD1 PRO 27 8.076 0.947 -2.742
184 H ASN 28 HN ASN 28 3.831 -0.464 -2.809
185 HA ASN 28 HA ASN 28 2.107 0.430 -5.027
186 1HB ASN 28 HB2 ASN 28 3.221 -2.262 -4.294
187 2HB ASN 28 HB1 ASN 28 1.740 -2.144 -5.225
188 1HD2 ASN 28 HD21 ASN 28 4.215 0.289 -5.636
189 2HD2 ASN 28 HD22 ASN 28 4.700 -0.240 -7.165
190 H ALA 29 HN ALA 29 0.377 1.272 -4.088
191 HA ALA 29 HA ALA 29 -1.297 -0.466 -2.431
192 1HB ALA 29 HB1 ALA 29 -1.282 0.832 -0.619
193 2HB ALA 29 HB2 ALA 29 -1.351 2.328 -1.544
194 3HB ALA 29 HB3 ALA 29 0.188 1.533 -1.275
195 H LYS 30 HN LYS 30 -3.515 0.029 -2.515
196 HA LYS 30 HA LYS 30 -4.381 2.138 -4.366
197 1HB LYS 30 HB2 LYS 30 -4.011 -0.006 -5.659
198 2HB LYS 30 HB1 LYS 30 -5.274 -0.745 -4.680
199 1HG LYS 30 HG2 LYS 30 -6.842 1.009 -5.509
200 2HG LYS 30 HG1 LYS 30 -5.547 1.585 -6.564
201 1HD LYS 30 HD2 LYS 30 -5.448 -0.760 -7.515
202 2HD LYS 30 HD1 LYS 30 -6.921 -1.099 -6.599
203 1HE LYS 30 HE2 LYS 30 -7.509 -0.532 -8.857
204 2HE LYS 30 HE1 LYS 30 -8.034 0.773 -7.794
205 1HZ LYS 30 HZ1 LYS 30 -5.471 0.829 -9.302
206 2HZ LYS 30 HZ2 LYS 30 -6.222 2.107 -8.484
207 3HZ LYS 30 HZ3 LYS 30 -6.917 1.482 -9.887
208 H CYS 31 HN CYS 31 -6.364 3.003 -3.772
209 HA CYS 31 HA CYS 31 -7.498 1.876 -1.336
210 1HB CYS 31 HB2 CYS 31 -8.314 3.925 -0.773
211 2HB CYS 31 HB1 CYS 31 -6.901 4.389 -1.690
212 H ILE 32 HN ILE 32 -9.134 0.583 -1.396
213 HA ILE 32 HA ILE 32 -11.186 0.945 -3.465
214 HB ILE 32 HB ILE 32 -11.266 -1.766 -3.160
215 1HG1 ILE 32 HG12 ILE 32 -8.898 -2.566 -3.516
216 2HG1 ILE 32 HG11 ILE 32 -8.329 -0.994 -2.989
217 1HG2 ILE 32 HG21 ILE 32 -11.373 -0.537 -5.249
218 2HG2 ILE 32 HG22 ILE 32 -10.268 -1.904 -5.367
219 3HG2 ILE 32 HG23 ILE 32 -9.631 -0.268 -5.195
220 1HD1 ILE 32 HD11 ILE 32 -8.252 -2.752 -1.260
221 2HD1 ILE 32 HD12 ILE 32 -10.009 -2.863 -1.330
222 3HD1 ILE 32 HD13 ILE 32 -9.241 -1.383 -0.790
223 H ASN 33 HN ASN 33 -13.194 0.931 -2.700
224 HA ASN 33 HA ASN 33 -14.914 0.923 -1.235
225 1HB ASN 33 HB2 ASN 33 -13.388 -1.366 0.042
226 2HB ASN 33 HB1 ASN 33 -15.025 -0.901 0.466
227 1HD2 ASN 33 HD21 ASN 33 -16.712 -1.315 -0.986
228 2HD2 ASN 33 HD22 ASN 33 -16.512 -2.430 -2.290
229 H LYS 34 HN LYS 34 -12.755 2.701 -0.861
230 HA LYS 34 HA LYS 34 -12.015 4.262 0.548
231 1HB LYS 34 HB2 LYS 34 -14.105 3.125 2.411
232 2HB LYS 34 HB1 LYS 34 -13.141 4.533 2.791
233 1HG LYS 34 HG2 LYS 34 -15.010 4.283 0.448
234 2HG LYS 34 HG1 LYS 34 -15.346 5.125 1.963
235 1HD LYS 34 HD2 LYS 34 -13.489 6.662 1.523
236 2HD LYS 34 HD1 LYS 34 -13.143 5.824 0.011
237 1HE LYS 34 HE2 LYS 34 -14.404 7.824 -0.435
238 2HE LYS 34 HE1 LYS 34 -15.374 6.405 -0.821
239 1HZ LYS 34 HZ1 LYS 34 -16.573 8.184 0.394
240 2HZ LYS 34 HZ2 LYS 34 -15.590 7.904 1.740
241 3HZ LYS 34 HZ3 LYS 34 -16.619 6.685 1.172
242 H SER 35 HN SER 35 -11.113 1.290 0.669
243 HA SER 35 HA SER 35 -9.480 1.579 3.098
244 1HB SER 35 HB2 SER 35 -10.839 -0.440 3.139
245 2HB SER 35 HB1 SER 35 -10.238 -0.910 1.553
246 HG SER 35 HG SER 35 -9.181 -1.899 3.428
247 H CYS 36 HN CYS 36 -7.560 2.470 2.540
248 HA CYS 36 HA CYS 36 -6.441 2.003 -0.095
249 1HB CYS 36 HB2 CYS 36 -6.291 4.193 1.336
250 2HB CYS 36 HB1 CYS 36 -4.912 3.388 2.075
251 H LYS 37 HN LYS 37 -5.944 -0.103 -0.265
252 HA LYS 37 HA LYS 37 -4.462 -1.368 1.913
253 1HB LYS 37 HB2 LYS 37 -6.503 -2.408 0.959
254 2HB LYS 37 HB1 LYS 37 -5.659 -2.588 -0.569
255 1HG LYS 37 HG2 LYS 37 -3.942 -3.976 0.699
256 2HG LYS 37 HG1 LYS 37 -5.046 -3.907 2.070
257 1HD LYS 37 HD2 LYS 37 -5.441 -5.956 0.933
258 2HD LYS 37 HD1 LYS 37 -6.815 -4.901 0.598
259 1HE LYS 37 HE2 LYS 37 -5.769 -4.309 -1.578
260 2HE LYS 37 HE1 LYS 37 -4.466 -5.441 -1.223
261 1HZ LYS 37 HZ1 LYS 37 -6.134 -6.406 -2.659
262 2HZ LYS 37 HZ2 LYS 37 -7.340 -6.130 -1.507
263 3HZ LYS 37 HZ3 LYS 37 -6.089 -7.225 -1.180
264 H CYS 38 HN CYS 38 -2.373 -1.760 1.822
265 HA CYS 38 HA CYS 38 -0.830 -1.339 -0.609
266 1HB CYS 38 HB2 CYS 38 -0.069 -2.207 2.182
267 2HB CYS 38 HB1 CYS 38 1.088 -2.028 0.869
268 H TYR 39 HN TYR 39 0.228 -2.981 -1.741
269 HA TYR 39 HA TYR 39 -0.988 -5.626 -1.498
270 1HB TYR 39 HB2 TYR 39 1.040 -4.542 -3.465
271 2HB TYR 39 HB1 TYR 39 0.298 -6.136 -3.547
272 HD1 TYR 39 HD1 TYR 39 0.078 -2.859 -4.743
273 HD2 TYR 39 HD2 TYR 39 -2.361 -6.113 -3.514
274 HE1 TYR 39 HE1 TYR 39 -1.772 -1.953 -6.072
275 HE2 TYR 39 HE2 TYR 39 -4.225 -5.213 -4.835
276 HH TYR 39 HH TYR 39 -4.105 -3.378 -7.173
277 H GLY 40 HN GLY 40 1.266 -4.242 0.283
278 1HA GLY 40 HA2 GLY 40 2.764 -5.172 1.716
279 2HA GLY 40 HA1 GLY 40 2.649 -6.700 0.850
280 H CYS 41 HN CYS 41 4.869 -6.998 0.703
281 HA CYS 41 HA CYS 41 6.114 -5.665 -1.508
282 1HB CYS 41 HB2 CYS 41 6.528 -4.121 0.463
283 2HB CYS 41 HB1 CYS 41 7.461 -5.403 1.202
Start of MODEL 22
1 1H TRP 1 HT1 TRP 1 1.037 8.281 9.886
2 2H TRP 1 HT2 TRP 1 1.320 8.829 8.281
3 3H TRP 1 HT3 TRP 1 1.835 9.776 9.611
4 HA TRP 1 HA TRP 1 3.653 8.666 8.580
5 1HB TRP 1 HB2 TRP 1 3.306 9.004 11.159
6 2HB TRP 1 HB1 TRP 1 3.185 7.262 11.224
7 HD1 TRP 1 HD1 TRP 1 5.467 6.077 9.761
8 HE1 TRP 1 HE1 TRP 1 7.931 6.670 10.204
9 HE3 TRP 1 HE3 TRP 1 4.826 10.620 12.015
10 HZ2 TRP 1 HZ2 TRP 1 9.409 8.775 11.365
11 HZ3 TRP 1 HZ3 TRP 1 6.816 11.855 12.767
12 HH2 TRP 1 HH2 TRP 1 9.060 10.950 12.448
13 H CYS 2 HN CYS 2 1.825 6.169 10.342
14 HA CYS 2 HA CYS 2 2.631 4.159 8.367
15 1HB CYS 2 HB2 CYS 2 1.481 2.619 10.016
16 2HB CYS 2 HB1 CYS 2 2.942 3.403 10.582
17 H SER 3 HN SER 3 1.200 3.127 7.035
18 HA SER 3 HA SER 3 -1.250 4.554 6.479
19 1HB SER 3 HB2 SER 3 -1.283 2.622 4.644
20 2HB SER 3 HB1 SER 3 -0.232 4.009 4.510
21 HG SER 3 HG SER 3 0.602 1.647 4.383
22 H THR 4 HN THR 4 -0.519 1.844 8.408
23 HA THR 4 HA THR 4 -3.139 0.608 7.978
24 HB THR 4 HB THR 4 -2.279 -1.063 9.686
25 HG1 THR 4 HG1 THR 4 -0.684 0.029 10.744
26 1HG2 THR 4 HG21 THR 4 -0.634 -0.644 7.190
27 2HG2 THR 4 HG22 THR 4 -2.158 -1.524 7.304
28 3HG2 THR 4 HG23 THR 4 -0.724 -2.133 8.130
29 H CYS 5 HN CYS 5 -1.429 2.545 10.328
30 HA CYS 5 HA CYS 5 -3.452 2.180 12.383
31 1HB CYS 5 HB2 CYS 5 -1.589 4.425 12.731
32 2HB CYS 5 HB1 CYS 5 -1.938 3.056 13.774
33 H LEU 6 HN LEU 6 -2.981 4.160 9.652
34 HA LEU 6 HA LEU 6 -5.049 6.030 10.599
35 1HB LEU 6 HB2 LEU 6 -2.861 7.110 10.294
36 2HB LEU 6 HB1 LEU 6 -2.801 6.522 8.642
37 HG LEU 6 HG LEU 6 -4.798 7.896 8.104
38 1HD1 LEU 6 HD11 LEU 6 -5.514 9.621 9.701
39 2HD1 LEU 6 HD12 LEU 6 -4.466 8.905 10.926
40 3HD1 LEU 6 HD13 LEU 6 -5.834 7.993 10.288
41 1HD2 LEU 6 HD21 LEU 6 -2.514 9.445 9.322
42 2HD2 LEU 6 HD22 LEU 6 -3.665 10.047 8.128
43 3HD2 LEU 6 HD23 LEU 6 -2.545 8.757 7.698
44 H ASP 7 HN ASP 7 -6.894 5.858 9.520
45 HA ASP 7 HA ASP 7 -7.016 4.175 7.155
46 1HB ASP 7 HB2 ASP 7 -9.506 4.586 7.339
47 2HB ASP 7 HB1 ASP 7 -8.749 3.770 8.698
48 H LEU 8 HN LEU 8 -5.921 5.386 5.624
49 HA LEU 8 HA LEU 8 -6.951 8.005 4.843
50 1HB LEU 8 HB2 LEU 8 -4.862 6.240 3.591
51 2HB LEU 8 HB1 LEU 8 -5.281 7.835 3.013
52 HG LEU 8 HG LEU 8 -4.609 8.479 5.537
53 1HD1 LEU 8 HD11 LEU 8 -3.015 5.992 4.920
54 2HD1 LEU 8 HD12 LEU 8 -4.092 6.279 6.275
55 3HD1 LEU 8 HD13 LEU 8 -2.592 7.170 6.164
56 1HD2 LEU 8 HD21 LEU 8 -2.419 9.094 4.684
57 2HD2 LEU 8 HD22 LEU 8 -3.673 9.436 3.494
58 3HD2 LEU 8 HD23 LEU 8 -2.637 8.020 3.301
59 H ALA 9 HN ALA 9 -9.073 6.540 4.712
60 HA ALA 9 HA ALA 9 -9.573 4.802 2.637
61 1HB ALA 9 HB1 ALA 9 -11.494 6.786 3.851
62 2HB ALA 9 HB2 ALA 9 -11.099 5.195 4.500
63 3HB ALA 9 HB3 ALA 9 -11.928 5.331 2.950
64 H CYS 10 HN CYS 10 -8.460 5.554 0.811
65 HA CYS 10 HA CYS 10 -8.100 6.652 -1.086
66 1HB CYS 10 HB2 CYS 10 -11.086 6.801 -0.895
67 2HB CYS 10 HB1 CYS 10 -10.259 7.586 -2.238
68 H THR 11 HN THR 11 -7.287 8.019 0.974
69 HA THR 11 HA THR 11 -8.086 10.808 0.664
70 HB THR 11 HB THR 11 -5.648 9.654 2.082
71 HG1 THR 11 HG1 THR 11 -8.243 10.263 3.141
72 1HG2 THR 11 HG21 THR 11 -7.031 12.333 2.218
73 2HG2 THR 11 HG22 THR 11 -5.371 11.994 1.726
74 3HG2 THR 11 HG23 THR 11 -5.854 11.770 3.404
75 H GLY 12 HN GLY 12 -6.380 8.483 -0.978
76 1HA GLY 12 HA2 GLY 12 -5.677 9.423 -3.199
77 2HA GLY 12 HA1 GLY 12 -4.532 10.364 -2.253
78 H SER 13 HN SER 13 -4.781 7.649 -4.063
79 HA SER 13 HA SER 13 -3.230 5.781 -2.590
80 1HB SER 13 HB2 SER 13 -3.369 6.211 -5.592
81 2HB SER 13 HB1 SER 13 -2.737 4.778 -4.779
82 HG SER 13 HG SER 13 -5.401 5.699 -4.935
83 H LYS 14 HN LYS 14 -2.525 8.617 -4.519
84 HA LYS 14 HA LYS 14 0.251 8.475 -4.698
85 1HB LYS 14 HB2 LYS 14 -1.485 10.893 -4.371
86 2HB LYS 14 HB1 LYS 14 0.196 10.912 -4.900
87 1HG LYS 14 HG2 LYS 14 -0.394 9.664 -6.891
88 2HG LYS 14 HG1 LYS 14 -2.077 9.582 -6.368
89 1HD LYS 14 HD2 LYS 14 -2.226 12.024 -6.450
90 2HD LYS 14 HD1 LYS 14 -0.539 12.112 -6.966
91 1HE LYS 14 HE2 LYS 14 -2.806 10.808 -8.471
92 2HE LYS 14 HE1 LYS 14 -2.036 12.344 -8.864
93 1HZ LYS 14 HZ1 LYS 14 -0.854 9.634 -9.014
94 2HZ LYS 14 HZ2 LYS 14 0.088 11.040 -9.095
95 3HZ LYS 14 HZ3 LYS 14 -1.091 10.740 -10.267
96 H ASP 15 HN ASP 15 -1.859 9.604 -2.136
97 HA ASP 15 HA ASP 15 0.218 10.567 -0.446
98 1HB ASP 15 HB2 ASP 15 -2.316 11.101 -0.359
99 2HB ASP 15 HB1 ASP 15 -2.483 9.591 0.530
100 H CYS 16 HN CYS 16 -1.722 7.594 -0.526
101 HA CYS 16 HA CYS 16 -0.550 6.424 1.748
102 1HB CYS 16 HB2 CYS 16 -2.073 5.176 -0.543
103 2HB CYS 16 HB1 CYS 16 -1.666 4.336 0.952
104 H TYR 17 HN TYR 17 0.670 6.634 -1.483
105 HA TYR 17 HA TYR 17 2.232 4.337 -1.683
106 1HB TYR 17 HB2 TYR 17 2.811 7.168 -2.569
107 2HB TYR 17 HB1 TYR 17 3.852 5.814 -2.987
108 HD1 TYR 17 HD1 TYR 17 2.322 7.749 -4.847
109 HD2 TYR 17 HD2 TYR 17 1.469 3.821 -3.425
110 HE1 TYR 17 HE1 TYR 17 0.966 7.316 -6.844
111 HE2 TYR 17 HE2 TYR 17 0.119 3.393 -5.414
112 HH TYR 17 HH TYR 17 -1.224 5.289 -7.178
113 H ALA 18 HN ALA 18 2.975 7.395 -0.057
114 HA ALA 18 HA ALA 18 5.608 6.730 0.645
115 1HB ALA 18 HB1 ALA 18 4.836 8.533 2.592
116 2HB ALA 18 HB2 ALA 18 3.750 8.888 1.251
117 3HB ALA 18 HB3 ALA 18 5.489 8.908 1.001
118 HA PRO 19 HA PRO 19 4.036 5.542 5.092
119 1HB PRO 19 HB2 PRO 19 1.227 4.845 4.546
120 2HB PRO 19 HB1 PRO 19 1.899 5.667 5.929
121 1HG PRO 19 HG2 PRO 19 0.485 6.966 4.095
122 2HG PRO 19 HG1 PRO 19 1.919 7.710 4.828
123 1HD PRO 19 HD2 PRO 19 1.619 6.445 2.168
124 2HD PRO 19 HD1 PRO 19 2.491 7.886 2.616
125 H CYS 20 HN CYS 20 2.392 3.970 2.351
126 HA CYS 20 HA CYS 20 2.539 1.340 3.397
127 1HB CYS 20 HB2 CYS 20 1.018 1.997 1.568
128 2HB CYS 20 HB1 CYS 20 2.397 2.235 0.508
129 H ARG 21 HN ARG 21 4.622 3.140 1.137
130 HA ARG 21 HA ARG 21 6.477 1.049 0.707
131 1HB ARG 21 HB2 ARG 21 6.183 3.182 -0.636
132 2HB ARG 21 HB1 ARG 21 7.088 4.022 0.605
133 1HG ARG 21 HG2 ARG 21 8.219 1.605 -0.774
134 2HG ARG 21 HG1 ARG 21 8.280 3.185 -1.532
135 1HD ARG 21 HD2 ARG 21 9.359 2.697 1.236
136 2HD ARG 21 HD1 ARG 21 10.311 2.493 -0.214
137 HE ARG 21 HE ARG 21 9.162 5.027 -0.330
138 1HH1 ARG 21 HH11 ARG 21 11.441 3.273 1.677
139 2HH1 ARG 21 HH12 ARG 21 12.370 4.679 2.043
140 1HH2 ARG 21 HH21 ARG 21 10.416 6.873 0.151
141 2HH2 ARG 21 HH22 ARG 21 11.798 6.723 1.185
142 H LYS 22 HN LYS 22 6.321 3.682 3.063
143 HA LYS 22 HA LYS 22 8.831 3.210 4.273
144 1HB LYS 22 HB2 LYS 22 7.677 5.292 4.523
145 2HB LYS 22 HB1 LYS 22 6.320 4.520 5.318
146 1HG LYS 22 HG2 LYS 22 7.605 4.022 7.255
147 2HG LYS 22 HG1 LYS 22 9.105 4.524 6.469
148 1HD LYS 22 HD2 LYS 22 6.757 6.335 7.071
149 2HD LYS 22 HD1 LYS 22 8.220 6.204 8.050
150 1HE LYS 22 HE2 LYS 22 9.560 6.891 6.091
151 2HE LYS 22 HE1 LYS 22 8.072 7.106 5.174
152 1HZ LYS 22 HZ1 LYS 22 7.379 8.795 6.737
153 2HZ LYS 22 HZ2 LYS 22 8.868 9.186 6.039
154 3HZ LYS 22 HZ3 LYS 22 8.810 8.597 7.623
155 H GLN 23 HN GLN 23 5.633 1.826 4.814
156 HA GLN 23 HA GLN 23 6.377 0.523 7.263
157 1HB GLN 23 HB2 GLN 23 3.994 0.442 5.455
158 2HB GLN 23 HB1 GLN 23 4.214 -0.851 6.628
159 1HG GLN 23 HG2 GLN 23 4.409 0.965 8.385
160 2HG GLN 23 HG1 GLN 23 3.836 2.082 7.144
161 1HE2 GLN 23 HE21 GLN 23 2.663 0.992 9.717
162 2HE2 GLN 23 HE22 GLN 23 1.088 0.475 9.242
163 H THR 24 HN THR 24 5.543 -0.817 4.047
164 HA THR 24 HA THR 24 6.759 -3.322 4.914
165 HB THR 24 HB THR 24 4.492 -3.338 3.930
166 HG1 THR 24 HG1 THR 24 4.871 -5.202 2.861
167 1HG2 THR 24 HG21 THR 24 5.291 -3.153 1.159
168 2HG2 THR 24 HG22 THR 24 5.548 -1.630 1.987
169 3HG2 THR 24 HG23 THR 24 3.963 -2.380 2.004
170 H GLY 25 HN GLY 25 7.427 -0.783 2.549
171 1HA GLY 25 HA2 GLY 25 9.867 -0.728 2.008
172 2HA GLY 25 HA1 GLY 25 9.710 -2.420 1.575
173 H CYS 26 HN CYS 26 7.200 -2.266 0.238
174 HA CYS 26 HA CYS 26 8.081 -0.839 -2.178
175 1HB CYS 26 HB2 CYS 26 6.105 -3.062 -1.925
176 2HB CYS 26 HB1 CYS 26 6.667 -2.369 -3.425
177 HA PRO 27 HA PRO 27 4.615 1.897 -1.591
178 1HB PRO 27 HB2 PRO 27 4.805 3.320 -3.836
179 2HB PRO 27 HB1 PRO 27 6.122 3.321 -2.667
180 1HG PRO 27 HG2 PRO 27 5.865 1.703 -5.175
181 2HG PRO 27 HG1 PRO 27 7.235 2.683 -4.617
182 1HD PRO 27 HD2 PRO 27 7.079 -0.018 -4.251
183 2HD PRO 27 HD1 PRO 27 7.955 1.070 -3.155
184 H ASN 28 HN ASN 28 4.111 -0.850 -2.916
185 HA ASN 28 HA ASN 28 2.215 -0.331 -5.000
186 1HB ASN 28 HB2 ASN 28 2.737 -2.854 -3.404
187 2HB ASN 28 HB1 ASN 28 1.719 -2.748 -4.826
188 1HD2 ASN 28 HD21 ASN 28 3.951 -4.450 -4.511
189 2HD2 ASN 28 HD22 ASN 28 5.103 -3.985 -5.711
190 H ALA 29 HN ALA 29 0.903 1.230 -3.816
191 HA ALA 29 HA ALA 29 -1.052 -0.087 -2.029
192 1HB ALA 29 HB1 ALA 29 -1.178 1.781 -0.672
193 2HB ALA 29 HB2 ALA 29 -0.388 2.829 -1.853
194 3HB ALA 29 HB3 ALA 29 0.543 1.621 -0.987
195 H LYS 30 HN LYS 30 -3.109 0.021 -2.634
196 HA LYS 30 HA LYS 30 -3.897 2.051 -4.634
197 1HB LYS 30 HB2 LYS 30 -3.750 -0.197 -5.666
198 2HB LYS 30 HB1 LYS 30 -4.839 -0.819 -4.450
199 1HG LYS 30 HG2 LYS 30 -6.045 -0.443 -6.493
200 2HG LYS 30 HG1 LYS 30 -6.618 0.668 -5.255
201 1HD LYS 30 HD2 LYS 30 -6.383 1.827 -7.360
202 2HD LYS 30 HD1 LYS 30 -5.193 2.448 -6.224
203 1HE LYS 30 HE2 LYS 30 -3.464 1.082 -7.266
204 2HE LYS 30 HE1 LYS 30 -4.657 0.367 -8.349
205 1HZ LYS 30 HZ1 LYS 30 -3.868 3.229 -8.267
206 2HZ LYS 30 HZ2 LYS 30 -5.014 2.554 -9.315
207 3HZ LYS 30 HZ3 LYS 30 -3.391 2.097 -9.430
208 H CYS 31 HN CYS 31 -5.596 3.286 -3.986
209 HA CYS 31 HA CYS 31 -6.732 2.717 -1.405
210 1HB CYS 31 HB2 CYS 31 -7.434 4.840 -1.325
211 2HB CYS 31 HB1 CYS 31 -6.200 5.058 -2.547
212 H ILE 32 HN ILE 32 -8.406 1.517 -1.049
213 HA ILE 32 HA ILE 32 -10.470 1.171 -3.131
214 HB ILE 32 HB ILE 32 -11.246 -0.771 -1.882
215 1HG1 ILE 32 HG12 ILE 32 -8.901 -0.261 -0.044
216 2HG1 ILE 32 HG11 ILE 32 -10.596 -0.108 0.379
217 1HG2 ILE 32 HG21 ILE 32 -9.524 -1.043 -3.634
218 2HG2 ILE 32 HG22 ILE 32 -9.463 -2.301 -2.407
219 3HG2 ILE 32 HG23 ILE 32 -8.281 -0.991 -2.385
220 1HD1 ILE 32 HD11 ILE 32 -9.053 -2.595 -0.218
221 2HD1 ILE 32 HD12 ILE 32 -10.815 -2.552 -0.116
222 3HD1 ILE 32 HD13 ILE 32 -9.837 -2.123 1.287
223 H ASN 33 HN ASN 33 -12.673 1.151 -2.223
224 HA ASN 33 HA ASN 33 -13.344 3.585 -1.355
225 1HB ASN 33 HB2 ASN 33 -14.872 1.056 -0.733
226 2HB ASN 33 HB1 ASN 33 -15.552 2.679 -0.644
227 1HD2 ASN 33 HD21 ASN 33 -15.951 3.817 -2.548
228 2HD2 ASN 33 HD22 ASN 33 -15.987 3.020 -4.080
229 H LYS 34 HN LYS 34 -12.568 0.916 0.833
230 HA LYS 34 HA LYS 34 -13.253 2.602 3.121
231 1HB LYS 34 HB2 LYS 34 -14.162 0.336 2.991
232 2HB LYS 34 HB1 LYS 34 -12.529 -0.322 2.987
233 1HG LYS 34 HG2 LYS 34 -12.136 0.570 5.203
234 2HG LYS 34 HG1 LYS 34 -13.738 1.308 5.215
235 1HD LYS 34 HD2 LYS 34 -14.786 -0.864 5.126
236 2HD LYS 34 HD1 LYS 34 -13.216 -1.657 4.965
237 1HE LYS 34 HE2 LYS 34 -14.140 -0.048 7.348
238 2HE LYS 34 HE1 LYS 34 -14.087 -1.807 7.248
239 1HZ LYS 34 HZ1 LYS 34 -11.802 0.075 7.243
240 2HZ LYS 34 HZ2 LYS 34 -11.636 -1.553 6.805
241 3HZ LYS 34 HZ3 LYS 34 -12.150 -1.140 8.362
242 H SER 35 HN SER 35 -10.378 1.321 1.554
243 HA SER 35 HA SER 35 -8.649 2.552 3.565
244 1HB SER 35 HB2 SER 35 -8.631 -0.432 3.010
245 2HB SER 35 HB1 SER 35 -7.554 0.436 4.105
246 HG SER 35 HG SER 35 -9.235 0.785 5.480
247 H CYS 36 HN CYS 36 -6.309 2.249 3.028
248 HA CYS 36 HA CYS 36 -5.876 2.085 0.122
249 1HB CYS 36 HB2 CYS 36 -4.210 3.170 2.372
250 2HB CYS 36 HB1 CYS 36 -3.477 2.755 0.824
251 H LYS 37 HN LYS 37 -5.760 0.056 -0.493
252 HA LYS 37 HA LYS 37 -4.671 -1.967 1.287
253 1HB LYS 37 HB2 LYS 37 -6.828 -2.145 -0.039
254 2HB LYS 37 HB1 LYS 37 -5.857 -2.342 -1.474
255 1HG LYS 37 HG2 LYS 37 -5.627 -4.133 0.950
256 2HG LYS 37 HG1 LYS 37 -6.767 -4.441 -0.354
257 1HD LYS 37 HD2 LYS 37 -3.782 -4.273 -0.652
258 2HD LYS 37 HD1 LYS 37 -4.706 -5.749 -0.595
259 1HE LYS 37 HE2 LYS 37 -5.029 -3.604 -2.700
260 2HE LYS 37 HE1 LYS 37 -4.088 -5.071 -2.878
261 1HZ LYS 37 HZ1 LYS 37 -7.013 -4.921 -2.431
262 2HZ LYS 37 HZ2 LYS 37 -6.122 -6.360 -2.473
263 3HZ LYS 37 HZ3 LYS 37 -6.223 -5.386 -3.850
264 H CYS 38 HN CYS 38 -2.586 -2.465 1.231
265 HA CYS 38 HA CYS 38 -0.955 -1.850 -1.088
266 1HB CYS 38 HB2 CYS 38 -0.249 -3.034 1.593
267 2HB CYS 38 HB1 CYS 38 0.919 -2.651 0.334
268 H TYR 39 HN TYR 39 0.055 -3.376 -2.382
269 HA TYR 39 HA TYR 39 -1.417 -5.826 -2.662
270 1HB TYR 39 HB2 TYR 39 0.973 -4.740 -4.160
271 2HB TYR 39 HB1 TYR 39 0.131 -6.220 -4.601
272 HD1 TYR 39 HD1 TYR 39 -0.185 -2.556 -4.411
273 HD2 TYR 39 HD2 TYR 39 -1.971 -6.154 -5.756
274 HE1 TYR 39 HE1 TYR 39 -1.727 -1.241 -5.770
275 HE2 TYR 39 HE2 TYR 39 -3.537 -4.856 -7.130
276 HH TYR 39 HH TYR 39 -3.216 -2.093 -8.171
277 H GLY 40 HN GLY 40 1.017 -5.116 -0.570
278 1HA GLY 40 HA2 GLY 40 2.133 -6.500 0.834
279 2HA GLY 40 HA1 GLY 40 1.550 -7.879 -0.083
280 H CYS 41 HN CYS 41 4.204 -5.872 0.563
281 HA CYS 41 HA CYS 41 5.910 -7.443 -1.171
282 1HB CYS 41 HB2 CYS 41 5.008 -5.681 -2.676
283 2HB CYS 41 HB1 CYS 41 5.670 -4.484 -1.603
Start of MODEL 23
1 1H TRP 1 HT1 TRP 1 4.053 2.259 13.319
2 2H TRP 1 HT2 TRP 1 3.006 3.352 12.504
3 3H TRP 1 HT3 TRP 1 3.224 3.466 14.205
4 HA TRP 1 HA TRP 1 5.494 4.029 13.929
5 1HB TRP 1 HB2 TRP 1 4.821 3.713 11.003
6 2HB TRP 1 HB1 TRP 1 6.197 4.672 11.535
7 HD1 TRP 1 HD1 TRP 1 5.373 1.253 10.517
8 HE1 TRP 1 HE1 TRP 1 7.267 -0.368 11.156
9 HE3 TRP 1 HE3 TRP 1 7.974 4.264 13.730
10 HZ2 TRP 1 HZ2 TRP 1 9.563 -0.369 12.802
11 HZ3 TRP 1 HZ3 TRP 1 10.008 3.379 14.791
12 HH2 TRP 1 HH2 TRP 1 10.783 1.109 14.337
13 H CYS 2 HN CYS 2 3.394 5.330 11.366
14 HA CYS 2 HA CYS 2 3.972 8.005 12.338
15 1HB CYS 2 HB2 CYS 2 2.677 8.672 10.259
16 2HB CYS 2 HB1 CYS 2 4.180 7.804 10.024
17 H SER 3 HN SER 3 2.758 8.893 13.860
18 HA SER 3 HA SER 3 0.028 8.056 14.363
19 1HB SER 3 HB2 SER 3 1.617 10.342 15.564
20 2HB SER 3 HB1 SER 3 0.095 9.687 16.175
21 HG SER 3 HG SER 3 1.943 8.843 17.265
22 H THR 4 HN THR 4 1.553 10.177 12.252
23 HA THR 4 HA THR 4 -0.569 12.114 12.031
24 HB THR 4 HB THR 4 1.759 12.743 11.459
25 HG1 THR 4 HG1 THR 4 1.175 13.906 9.704
26 1HG2 THR 4 HG21 THR 4 2.715 10.769 10.613
27 2HG2 THR 4 HG22 THR 4 2.658 11.888 9.263
28 3HG2 THR 4 HG23 THR 4 1.486 10.584 9.363
29 H CYS 5 HN CYS 5 0.088 8.940 10.964
30 HA CYS 5 HA CYS 5 -1.692 9.026 8.677
31 1HB CYS 5 HB2 CYS 5 -0.413 6.662 10.076
32 2HB CYS 5 HB1 CYS 5 -1.234 6.644 8.531
33 H LEU 6 HN LEU 6 -3.423 9.953 10.059
34 HA LEU 6 HA LEU 6 -4.557 8.313 12.123
35 1HB LEU 6 HB2 LEU 6 -4.688 10.775 12.143
36 2HB LEU 6 HB1 LEU 6 -5.680 10.731 10.696
37 HG LEU 6 HG LEU 6 -7.438 9.521 11.959
38 1HD1 LEU 6 HD11 LEU 6 -6.074 8.410 13.618
39 2HD1 LEU 6 HD12 LEU 6 -7.267 9.423 14.418
40 3HD1 LEU 6 HD13 LEU 6 -5.591 9.960 14.306
41 1HD2 LEU 6 HD21 LEU 6 -8.176 11.420 13.292
42 2HD2 LEU 6 HD22 LEU 6 -7.509 11.956 11.751
43 3HD2 LEU 6 HD23 LEU 6 -6.554 12.114 13.227
44 H ASP 7 HN ASP 7 -5.729 9.374 8.925
45 HA ASP 7 HA ASP 7 -7.072 6.759 8.695
46 1HB ASP 7 HB2 ASP 7 -9.008 7.689 7.706
47 2HB ASP 7 HB1 ASP 7 -8.727 8.601 9.183
48 H LEU 8 HN LEU 8 -6.415 5.685 6.962
49 HA LEU 8 HA LEU 8 -5.244 7.231 4.736
50 1HB LEU 8 HB2 LEU 8 -4.807 4.330 5.441
51 2HB LEU 8 HB1 LEU 8 -4.160 5.151 4.033
52 HG LEU 8 HG LEU 8 -2.981 6.718 5.713
53 1HD1 LEU 8 HD11 LEU 8 -2.443 5.257 7.841
54 2HD1 LEU 8 HD12 LEU 8 -4.039 4.595 7.525
55 3HD1 LEU 8 HD13 LEU 8 -3.839 6.326 7.791
56 1HD2 LEU 8 HD21 LEU 8 -1.126 5.090 5.986
57 2HD2 LEU 8 HD22 LEU 8 -1.768 5.178 4.355
58 3HD2 LEU 8 HD23 LEU 8 -2.201 3.821 5.393
59 H ALA 9 HN ALA 9 -7.983 6.184 5.723
60 HA ALA 9 HA ALA 9 -9.025 4.355 3.952
61 1HB ALA 9 HB1 ALA 9 -11.222 5.514 4.712
62 2HB ALA 9 HB2 ALA 9 -10.168 6.441 5.762
63 3HB ALA 9 HB3 ALA 9 -10.222 4.684 5.893
64 H CYS 10 HN CYS 10 -8.113 5.127 1.923
65 HA CYS 10 HA CYS 10 -8.133 6.163 -0.042
66 1HB CYS 10 HB2 CYS 10 -10.994 6.695 0.745
67 2HB CYS 10 HB1 CYS 10 -10.332 7.348 -0.744
68 H THR 11 HN THR 11 -6.730 7.290 1.748
69 HA THR 11 HA THR 11 -7.277 10.147 1.891
70 HB THR 11 HB THR 11 -6.006 9.008 3.718
71 HG1 THR 11 HG1 THR 11 -5.563 11.165 3.565
72 1HG2 THR 11 HG21 THR 11 -3.776 8.228 3.399
73 2HG2 THR 11 HG22 THR 11 -3.770 8.732 1.717
74 3HG2 THR 11 HG23 THR 11 -4.792 7.395 2.231
75 H GLY 12 HN GLY 12 -5.990 7.885 -0.302
76 1HA GLY 12 HA2 GLY 12 -5.761 8.968 -2.563
77 2HA GLY 12 HA1 GLY 12 -4.526 9.955 -1.803
78 H SER 13 HN SER 13 -4.506 7.799 -3.962
79 HA SER 13 HA SER 13 -3.028 5.599 -2.954
80 1HB SER 13 HB2 SER 13 -2.288 5.343 -5.360
81 2HB SER 13 HB1 SER 13 -4.034 5.424 -5.128
82 HG SER 13 HG SER 13 -3.324 6.764 -6.850
83 H LYS 14 HN LYS 14 -2.044 8.640 -4.462
84 HA LYS 14 HA LYS 14 0.737 8.311 -4.261
85 1HB LYS 14 HB2 LYS 14 -0.698 10.940 -4.105
86 2HB LYS 14 HB1 LYS 14 0.926 10.637 -4.710
87 1HG LYS 14 HG2 LYS 14 -1.554 9.533 -6.036
88 2HG LYS 14 HG1 LYS 14 -0.871 11.105 -6.396
89 1HD LYS 14 HD2 LYS 14 1.219 10.088 -7.084
90 2HD LYS 14 HD1 LYS 14 0.594 8.506 -6.660
91 1HE LYS 14 HE2 LYS 14 0.470 8.972 -9.085
92 2HE LYS 14 HE1 LYS 14 -1.098 8.634 -8.356
93 1HZ LYS 14 HZ1 LYS 14 -0.987 10.564 -9.937
94 2HZ LYS 14 HZ2 LYS 14 -0.104 11.401 -8.765
95 3HZ LYS 14 HZ3 LYS 14 -1.686 10.891 -8.435
96 H ASP 15 HN ASP 15 -1.662 9.676 -2.146
97 HA ASP 15 HA ASP 15 0.052 10.732 -0.172
98 1HB ASP 15 HB2 ASP 15 -2.814 9.781 0.094
99 2HB ASP 15 HB1 ASP 15 -1.978 10.864 1.204
100 H CYS 16 HN CYS 16 -1.356 7.545 -0.661
101 HA CYS 16 HA CYS 16 -0.567 6.648 1.986
102 1HB CYS 16 HB2 CYS 16 -2.724 5.982 1.010
103 2HB CYS 16 HB1 CYS 16 -1.878 5.149 -0.289
104 H TYR 17 HN TYR 17 0.766 6.592 -1.229
105 HA TYR 17 HA TYR 17 2.280 4.282 -1.228
106 1HB TYR 17 HB2 TYR 17 2.927 7.034 -2.286
107 2HB TYR 17 HB1 TYR 17 3.999 5.665 -2.558
108 HD1 TYR 17 HD1 TYR 17 2.495 7.426 -4.614
109 HD2 TYR 17 HD2 TYR 17 1.688 3.598 -2.926
110 HE1 TYR 17 HE1 TYR 17 1.221 6.793 -6.620
111 HE2 TYR 17 HE2 TYR 17 0.422 2.991 -4.932
112 HH TYR 17 HH TYR 17 0.622 4.158 -7.677
113 H ALA 18 HN ALA 18 3.215 7.410 0.158
114 HA ALA 18 HA ALA 18 5.767 6.598 0.968
115 1HB ALA 18 HB1 ALA 18 5.162 8.584 2.760
116 2HB ALA 18 HB2 ALA 18 4.064 8.922 1.424
117 3HB ALA 18 HB3 ALA 18 5.792 8.800 1.132
118 HA PRO 19 HA PRO 19 4.042 5.772 5.459
119 1HB PRO 19 HB2 PRO 19 1.160 5.274 4.923
120 2HB PRO 19 HB1 PRO 19 1.951 6.124 6.241
121 1HG PRO 19 HG2 PRO 19 0.641 7.440 4.323
122 2HG PRO 19 HG1 PRO 19 2.116 8.099 5.056
123 1HD PRO 19 HD2 PRO 19 1.761 6.756 2.437
124 2HD PRO 19 HD1 PRO 19 2.750 8.131 2.855
125 H CYS 20 HN CYS 20 2.275 4.181 2.782
126 HA CYS 20 HA CYS 20 2.189 1.615 3.945
127 1HB CYS 20 HB2 CYS 20 0.818 2.075 2.019
128 2HB CYS 20 HB1 CYS 20 2.229 2.457 1.041
129 H ARG 21 HN ARG 21 4.612 3.161 1.842
130 HA ARG 21 HA ARG 21 6.343 0.899 1.757
131 1HB ARG 21 HB2 ARG 21 6.444 2.776 0.141
132 2HB ARG 21 HB1 ARG 21 7.049 3.824 1.408
133 1HG ARG 21 HG2 ARG 21 9.018 2.395 1.655
134 2HG ARG 21 HG1 ARG 21 8.405 1.331 0.391
135 1HD ARG 21 HD2 ARG 21 8.470 3.305 -1.150
136 2HD ARG 21 HD1 ARG 21 9.270 4.198 0.127
137 HE ARG 21 HE ARG 21 10.813 1.996 -0.089
138 1HH1 ARG 21 HH11 ARG 21 9.733 4.411 -2.406
139 2HH1 ARG 21 HH12 ARG 21 11.056 4.125 -3.472
140 1HH2 ARG 21 HH21 ARG 21 12.540 1.642 -1.511
141 2HH2 ARG 21 HH22 ARG 21 12.654 2.565 -2.973
142 H LYS 22 HN LYS 22 6.057 3.705 3.886
143 HA LYS 22 HA LYS 22 8.427 3.255 5.361
144 1HB LYS 22 HB2 LYS 22 5.880 4.750 5.940
145 2HB LYS 22 HB1 LYS 22 7.161 4.619 7.131
146 1HG LYS 22 HG2 LYS 22 8.708 5.565 5.321
147 2HG LYS 22 HG1 LYS 22 7.243 5.952 4.442
148 1HD LYS 22 HD2 LYS 22 7.983 7.881 5.688
149 2HD LYS 22 HD1 LYS 22 6.451 7.298 6.339
150 1HE LYS 22 HE2 LYS 22 8.125 7.932 8.066
151 2HE LYS 22 HE1 LYS 22 7.565 6.272 8.203
152 1HZ LYS 22 HZ1 LYS 22 10.072 6.994 6.782
153 2HZ LYS 22 HZ2 LYS 22 9.580 5.467 7.329
154 3HZ LYS 22 HZ3 LYS 22 10.023 6.659 8.439
155 H GLN 23 HN GLN 23 5.227 1.858 5.578
156 HA GLN 23 HA GLN 23 5.768 0.655 8.171
157 1HB GLN 23 HB2 GLN 23 3.441 0.487 6.261
158 2HB GLN 23 HB1 GLN 23 3.511 -0.406 7.777
159 1HG GLN 23 HG2 GLN 23 3.531 1.593 9.054
160 2HG GLN 23 HG1 GLN 23 3.719 2.591 7.616
161 1HE2 GLN 23 HE21 GLN 23 1.839 3.771 8.104
162 2HE2 GLN 23 HE22 GLN 23 0.270 3.078 7.899
163 H THR 24 HN THR 24 4.962 -0.618 4.912
164 HA THR 24 HA THR 24 5.902 -3.246 5.789
165 HB THR 24 HB THR 24 4.906 -4.064 3.668
166 HG1 THR 24 HG1 THR 24 3.729 -2.512 2.396
167 1HG2 THR 24 HG21 THR 24 3.080 -2.251 5.251
168 2HG2 THR 24 HG22 THR 24 3.506 -3.913 5.666
169 3HG2 THR 24 HG23 THR 24 2.576 -3.579 4.206
170 H GLY 25 HN GLY 25 6.846 -0.718 3.542
171 1HA GLY 25 HA2 GLY 25 9.114 -0.606 2.718
172 2HA GLY 25 HA1 GLY 25 9.174 -2.359 2.715
173 H CYS 26 HN CYS 26 6.156 -1.838 1.769
174 HA CYS 26 HA CYS 26 6.818 -2.130 -1.026
175 1HB CYS 26 HB2 CYS 26 5.286 -3.721 -0.023
176 2HB CYS 26 HB1 CYS 26 4.225 -2.419 0.466
177 HA PRO 27 HA PRO 27 5.665 2.211 -1.470
178 1HB PRO 27 HB2 PRO 27 6.819 2.638 -3.844
179 2HB PRO 27 HB1 PRO 27 7.771 2.379 -2.402
180 1HG PRO 27 HG2 PRO 27 7.171 0.478 -4.592
181 2HG PRO 27 HG1 PRO 27 8.679 0.714 -3.693
182 1HD PRO 27 HD2 PRO 27 6.812 -1.257 -3.211
183 2HD PRO 27 HD1 PRO 27 8.055 -0.749 -2.077
184 H ASN 28 HN ASN 28 4.092 -0.329 -2.714
185 HA ASN 28 HA ASN 28 2.544 1.328 -4.571
186 1HB ASN 28 HB2 ASN 28 3.853 -0.673 -5.532
187 2HB ASN 28 HB1 ASN 28 2.651 -1.685 -4.737
188 1HD2 ASN 28 HD21 ASN 28 3.239 -1.265 -7.588
189 2HD2 ASN 28 HD22 ASN 28 1.745 -0.750 -8.286
190 H ALA 29 HN ALA 29 0.638 1.795 -3.802
191 HA ALA 29 HA ALA 29 -0.936 -0.140 -2.333
192 1HB ALA 29 HB1 ALA 29 -1.114 1.034 -0.419
193 2HB ALA 29 HB2 ALA 29 -0.922 2.609 -1.198
194 3HB ALA 29 HB3 ALA 29 0.483 1.595 -0.879
195 H LYS 30 HN LYS 30 -3.197 0.388 -2.251
196 HA LYS 30 HA LYS 30 -4.155 2.646 -3.833
197 1HB LYS 30 HB2 LYS 30 -3.798 0.864 -5.517
198 2HB LYS 30 HB1 LYS 30 -4.838 -0.214 -4.591
199 1HG LYS 30 HG2 LYS 30 -6.703 1.401 -4.919
200 2HG LYS 30 HG1 LYS 30 -5.631 2.362 -5.940
201 1HD LYS 30 HD2 LYS 30 -5.383 0.418 -7.443
202 2HD LYS 30 HD1 LYS 30 -6.511 -0.484 -6.425
203 1HE LYS 30 HE2 LYS 30 -7.118 2.069 -7.919
204 2HE LYS 30 HE1 LYS 30 -7.627 0.447 -8.386
205 1HZ LYS 30 HZ1 LYS 30 -8.816 0.341 -6.192
206 2HZ LYS 30 HZ2 LYS 30 -9.441 1.455 -7.297
207 3HZ LYS 30 HZ3 LYS 30 -8.495 1.995 -6.009
208 H CYS 31 HN CYS 31 -6.187 3.303 -3.136
209 HA CYS 31 HA CYS 31 -7.092 1.978 -0.715
210 1HB CYS 31 HB2 CYS 31 -8.087 3.920 -0.121
211 2HB CYS 31 HB1 CYS 31 -6.852 4.557 -1.191
212 H ILE 32 HN ILE 32 -8.837 0.785 -0.470
213 HA ILE 32 HA ILE 32 -10.969 0.816 -2.494
214 HB ILE 32 HB ILE 32 -11.164 -1.671 -2.307
215 1HG1 ILE 32 HG12 ILE 32 -8.345 -1.583 -1.201
216 2HG1 ILE 32 HG11 ILE 32 -9.748 -1.789 -0.175
217 1HG2 ILE 32 HG21 ILE 32 -10.140 -0.619 -4.261
218 2HG2 ILE 32 HG22 ILE 32 -9.416 -2.185 -3.910
219 3HG2 ILE 32 HG23 ILE 32 -8.560 -0.703 -3.482
220 1HD1 ILE 32 HD11 ILE 32 -9.001 -3.640 -2.400
221 2HD1 ILE 32 HD12 ILE 32 -10.327 -3.830 -1.257
222 3HD1 ILE 32 HD13 ILE 32 -8.660 -3.885 -0.689
223 H ASN 33 HN ASN 33 -12.985 0.618 -1.602
224 HA ASN 33 HA ASN 33 -14.559 0.887 0.018
225 1HB ASN 33 HB2 ASN 33 -13.021 -1.482 1.097
226 2HB ASN 33 HB1 ASN 33 -14.560 -0.953 1.772
227 1HD2 ASN 33 HD21 ASN 33 -16.449 -1.259 0.602
228 2HD2 ASN 33 HD22 ASN 33 -16.503 -2.308 -0.769
229 H LYS 34 HN LYS 34 -12.456 2.688 0.337
230 HA LYS 34 HA LYS 34 -11.419 4.076 1.757
231 1HB LYS 34 HB2 LYS 34 -13.701 3.204 3.504
232 2HB LYS 34 HB1 LYS 34 -12.510 4.354 4.052
233 1HG LYS 34 HG2 LYS 34 -13.081 5.780 2.078
234 2HG LYS 34 HG1 LYS 34 -14.377 4.640 1.721
235 1HD LYS 34 HD2 LYS 34 -15.265 6.528 2.939
236 2HD LYS 34 HD1 LYS 34 -15.360 5.078 3.938
237 1HE LYS 34 HE2 LYS 34 -14.620 6.993 5.238
238 2HE LYS 34 HE1 LYS 34 -13.345 5.793 5.154
239 1HZ LYS 34 HZ1 LYS 34 -13.500 8.185 3.393
240 2HZ LYS 34 HZ2 LYS 34 -12.206 7.101 3.527
241 3HZ LYS 34 HZ3 LYS 34 -12.597 8.110 4.821
242 H SER 35 HN SER 35 -10.114 1.763 1.491
243 HA SER 35 HA SER 35 -8.581 1.869 3.919
244 1HB SER 35 HB2 SER 35 -8.410 -0.635 4.155
245 2HB SER 35 HB1 SER 35 -9.981 0.035 4.589
246 HG SER 35 HG SER 35 -10.023 -1.879 3.225
247 H CYS 36 HN CYS 36 -6.531 2.021 3.324
248 HA CYS 36 HA CYS 36 -5.814 1.716 0.572
249 1HB CYS 36 HB2 CYS 36 -4.924 3.504 2.027
250 2HB CYS 36 HB1 CYS 36 -4.041 2.292 2.948
251 H LYS 37 HN LYS 37 -5.415 -0.204 -0.309
252 HA LYS 37 HA LYS 37 -4.363 -2.393 1.318
253 1HB LYS 37 HB2 LYS 37 -4.931 -3.829 -0.457
254 2HB LYS 37 HB1 LYS 37 -6.259 -2.681 -0.350
255 1HG LYS 37 HG2 LYS 37 -5.082 -1.417 -2.232
256 2HG LYS 37 HG1 LYS 37 -4.071 -2.831 -2.412
257 1HD LYS 37 HD2 LYS 37 -7.066 -2.739 -2.673
258 2HD LYS 37 HD1 LYS 37 -5.914 -2.864 -3.992
259 1HE LYS 37 HE2 LYS 37 -6.246 -4.920 -1.799
260 2HE LYS 37 HE1 LYS 37 -6.953 -5.020 -3.401
261 1HZ LYS 37 HZ1 LYS 37 -4.054 -4.974 -2.784
262 2HZ LYS 37 HZ2 LYS 37 -4.713 -5.000 -4.343
263 3HZ LYS 37 HZ3 LYS 37 -4.954 -6.309 -3.300
264 H CYS 38 HN CYS 38 -2.320 -3.134 1.166
265 HA CYS 38 HA CYS 38 -0.476 -1.692 -0.643
266 1HB CYS 38 HB2 CYS 38 -0.043 -3.149 1.969
267 2HB CYS 38 HB1 CYS 38 1.286 -2.658 0.928
268 H TYR 39 HN TYR 39 0.914 -2.872 -1.961
269 HA TYR 39 HA TYR 39 -0.277 -5.310 -2.882
270 1HB TYR 39 HB2 TYR 39 2.091 -3.686 -3.772
271 2HB TYR 39 HB1 TYR 39 1.736 -5.241 -4.506
272 HD1 TYR 39 HD1 TYR 39 -0.751 -2.683 -3.386
273 HD2 TYR 39 HD2 TYR 39 1.184 -4.564 -6.682
274 HE1 TYR 39 HE1 TYR 39 -2.309 -1.592 -4.904
275 HE2 TYR 39 HE2 TYR 39 -0.379 -3.461 -8.216
276 HH TYR 39 HH TYR 39 -1.941 -1.013 -7.813
277 H GLY 40 HN GLY 40 1.751 -4.858 -0.350
278 1HA GLY 40 HA2 GLY 40 3.053 -6.206 0.887
279 2HA GLY 40 HA1 GLY 40 2.278 -7.546 0.052
280 H CYS 41 HN CYS 41 4.249 -5.027 -1.318
281 HA CYS 41 HA CYS 41 5.633 -6.348 -3.171
282 1HB CYS 41 HB2 CYS 41 6.792 -4.149 -1.463
283 2HB CYS 41 HB1 CYS 41 7.388 -4.643 -3.028
Start of MODEL 24
1 1H TRP 1 HT1 TRP 1 3.816 5.028 11.995
2 2H TRP 1 HT2 TRP 1 4.303 3.555 12.691
3 3H TRP 1 HT3 TRP 1 3.064 3.560 11.504
4 HA TRP 1 HA TRP 1 5.938 4.140 11.184
5 1HB TRP 1 HB2 TRP 1 4.356 2.204 9.576
6 2HB TRP 1 HB1 TRP 1 6.054 2.170 9.944
7 HD1 TRP 1 HD1 TRP 1 2.792 0.716 10.950
8 HE1 TRP 1 HE1 TRP 1 3.057 -0.733 13.056
9 HE3 TRP 1 HE3 TRP 1 7.520 2.121 12.313
10 HZ2 TRP 1 HZ2 TRP 1 5.008 -1.219 15.035
11 HZ3 TRP 1 HZ3 TRP 1 8.508 1.115 14.328
12 HH2 TRP 1 HH2 TRP 1 7.279 -0.519 15.660
13 H CYS 2 HN CYS 2 2.813 5.021 10.237
14 HA CYS 2 HA CYS 2 3.307 5.671 7.516
15 1HB CYS 2 HB2 CYS 2 1.144 7.132 7.977
16 2HB CYS 2 HB1 CYS 2 1.075 5.386 7.910
17 H SER 3 HN SER 3 2.487 8.221 7.092
18 HA SER 3 HA SER 3 4.796 9.717 8.045
19 1HB SER 3 HB2 SER 3 3.927 11.403 6.333
20 2HB SER 3 HB1 SER 3 4.467 9.843 5.716
21 HG SER 3 HG SER 3 2.377 10.662 4.918
22 H THR 4 HN THR 4 1.486 10.859 7.443
23 HA THR 4 HA THR 4 1.706 12.716 9.646
24 HB THR 4 HB THR 4 0.622 13.446 7.570
25 HG1 THR 4 HG1 THR 4 -0.991 14.508 8.588
26 1HG2 THR 4 HG21 THR 4 -1.594 12.588 6.948
27 2HG2 THR 4 HG22 THR 4 -1.453 11.330 8.168
28 3HG2 THR 4 HG23 THR 4 -0.346 11.360 6.798
29 H CYS 5 HN CYS 5 0.219 9.612 9.022
30 HA CYS 5 HA CYS 5 -1.018 8.229 10.298
31 1HB CYS 5 HB2 CYS 5 0.805 9.486 12.354
32 2HB CYS 5 HB1 CYS 5 -0.137 8.024 12.648
33 H LEU 6 HN LEU 6 -2.726 9.948 9.729
34 HA LEU 6 HA LEU 6 -4.237 10.350 12.232
35 1HB LEU 6 HB2 LEU 6 -4.181 12.221 9.851
36 2HB LEU 6 HB1 LEU 6 -5.317 12.335 11.186
37 HG LEU 6 HG LEU 6 -2.319 12.650 11.431
38 1HD1 LEU 6 HD11 LEU 6 -3.326 14.474 10.150
39 2HD1 LEU 6 HD12 LEU 6 -2.784 15.025 11.734
40 3HD1 LEU 6 HD13 LEU 6 -4.501 14.738 11.440
41 1HD2 LEU 6 HD21 LEU 6 -3.328 11.826 13.478
42 2HD2 LEU 6 HD22 LEU 6 -4.556 13.091 13.413
43 3HD2 LEU 6 HD23 LEU 6 -2.863 13.512 13.674
44 H ASP 7 HN ASP 7 -4.696 10.629 8.721
45 HA ASP 7 HA ASP 7 -6.393 8.255 8.765
46 1HB ASP 7 HB2 ASP 7 -8.015 10.079 8.936
47 2HB ASP 7 HB1 ASP 7 -7.283 10.892 7.556
48 H LEU 8 HN LEU 8 -5.980 6.991 7.029
49 HA LEU 8 HA LEU 8 -4.461 8.206 4.794
50 1HB LEU 8 HB2 LEU 8 -4.106 5.500 6.063
51 2HB LEU 8 HB1 LEU 8 -3.459 5.913 4.487
52 HG LEU 8 HG LEU 8 -2.150 7.759 5.608
53 1HD1 LEU 8 HD11 LEU 8 -1.751 7.097 8.134
54 2HD1 LEU 8 HD12 LEU 8 -3.415 6.528 8.012
55 3HD1 LEU 8 HD13 LEU 8 -3.022 8.208 7.660
56 1HD2 LEU 8 HD21 LEU 8 -1.596 4.925 6.483
57 2HD2 LEU 8 HD22 LEU 8 -0.423 6.242 6.412
58 3HD2 LEU 8 HD23 LEU 8 -1.154 5.634 4.929
59 H ALA 9 HN ALA 9 -7.288 7.068 5.677
60 HA ALA 9 HA ALA 9 -7.985 5.021 3.999
61 1HB ALA 9 HB1 ALA 9 -9.350 5.519 5.845
62 2HB ALA 9 HB2 ALA 9 -10.338 5.864 4.432
63 3HB ALA 9 HB3 ALA 9 -9.592 7.180 5.319
64 H CYS 10 HN CYS 10 -7.045 5.530 1.972
65 HA CYS 10 HA CYS 10 -7.024 6.228 -0.155
66 1HB CYS 10 HB2 CYS 10 -9.909 6.911 0.453
67 2HB CYS 10 HB1 CYS 10 -9.194 7.083 -1.137
68 H THR 11 HN THR 11 -5.731 7.832 1.464
69 HA THR 11 HA THR 11 -6.573 10.601 1.113
70 HB THR 11 HB THR 11 -4.165 11.017 2.015
71 HG1 THR 11 HG1 THR 11 -4.353 8.254 2.714
72 1HG2 THR 11 HG21 THR 11 -4.842 10.713 4.244
73 2HG2 THR 11 HG22 THR 11 -5.988 9.446 3.815
74 3HG2 THR 11 HG23 THR 11 -6.298 11.117 3.343
75 H GLY 12 HN GLY 12 -6.014 8.704 -1.205
76 1HA GLY 12 HA2 GLY 12 -5.394 9.379 -3.361
77 2HA GLY 12 HA1 GLY 12 -4.147 10.410 -2.677
78 H SER 13 HN SER 13 -4.352 7.857 -4.506
79 HA SER 13 HA SER 13 -2.889 5.814 -3.249
80 1HB SER 13 HB2 SER 13 -2.826 6.575 -6.184
81 2HB SER 13 HB1 SER 13 -2.414 5.005 -5.488
82 HG SER 13 HG SER 13 -4.526 4.971 -6.275
83 H LYS 14 HN LYS 14 -1.845 8.606 -5.158
84 HA LYS 14 HA LYS 14 0.912 8.102 -5.080
85 1HB LYS 14 HB2 LYS 14 1.193 10.459 -5.713
86 2HB LYS 14 HB1 LYS 14 0.012 9.607 -6.699
87 1HG LYS 14 HG2 LYS 14 -1.802 10.612 -5.364
88 2HG LYS 14 HG1 LYS 14 -0.594 11.499 -4.435
89 1HD LYS 14 HD2 LYS 14 0.140 12.656 -6.434
90 2HD LYS 14 HD1 LYS 14 -0.979 11.714 -7.423
91 1HE LYS 14 HE2 LYS 14 -1.867 13.928 -6.993
92 2HE LYS 14 HE1 LYS 14 -2.867 12.701 -6.219
93 1HZ LYS 14 HZ1 LYS 14 -1.909 13.220 -4.116
94 2HZ LYS 14 HZ2 LYS 14 -2.409 14.668 -4.825
95 3HZ LYS 14 HZ3 LYS 14 -0.769 14.264 -4.809
96 H ASP 15 HN ASP 15 -1.180 9.125 -2.609
97 HA ASP 15 HA ASP 15 0.902 10.377 -1.025
98 1HB ASP 15 HB2 ASP 15 -1.324 11.298 -0.787
99 2HB ASP 15 HB1 ASP 15 -1.982 9.717 -0.394
100 H CYS 16 HN CYS 16 -1.299 7.609 -0.737
101 HA CYS 16 HA CYS 16 -0.092 6.627 1.583
102 1HB CYS 16 HB2 CYS 16 -2.431 6.203 0.825
103 2HB CYS 16 HB1 CYS 16 -1.797 5.056 -0.351
104 H TYR 17 HN TYR 17 0.941 6.263 -1.695
105 HA TYR 17 HA TYR 17 2.252 3.800 -1.657
106 1HB TYR 17 HB2 TYR 17 3.087 6.440 -2.873
107 2HB TYR 17 HB1 TYR 17 3.981 4.950 -3.142
108 HD1 TYR 17 HD1 TYR 17 2.489 6.872 -5.121
109 HD2 TYR 17 HD2 TYR 17 1.540 3.095 -3.401
110 HE1 TYR 17 HE1 TYR 17 1.062 6.351 -7.050
111 HE2 TYR 17 HE2 TYR 17 0.132 2.575 -5.331
112 HH TYR 17 HH TYR 17 -1.166 4.504 -7.259
113 H ALA 18 HN ALA 18 3.249 6.925 -0.352
114 HA ALA 18 HA ALA 18 5.841 6.110 0.390
115 1HB ALA 18 HB1 ALA 18 5.350 8.213 2.065
116 2HB ALA 18 HB2 ALA 18 4.185 8.496 0.773
117 3HB ALA 18 HB3 ALA 18 5.893 8.327 0.395
118 HA PRO 19 HA PRO 19 4.164 5.581 4.960
119 1HB PRO 19 HB2 PRO 19 1.276 5.080 4.395
120 2HB PRO 19 HB1 PRO 19 2.043 5.923 5.746
121 1HG PRO 19 HG2 PRO 19 0.812 7.277 3.825
122 2HG PRO 19 HG1 PRO 19 2.322 7.879 4.537
123 1HD PRO 19 HD2 PRO 19 1.901 6.521 1.936
124 2HD PRO 19 HD1 PRO 19 2.930 7.867 2.325
125 H CYS 20 HN CYS 20 2.474 3.870 2.317
126 HA CYS 20 HA CYS 20 2.400 1.350 3.610
127 1HB CYS 20 HB2 CYS 20 1.021 1.790 1.657
128 2HB CYS 20 HB1 CYS 20 2.454 2.019 0.661
129 H ARG 21 HN ARG 21 4.779 2.887 1.468
130 HA ARG 21 HA ARG 21 6.599 0.696 1.421
131 1HB ARG 21 HB2 ARG 21 6.723 2.457 -0.232
132 2HB ARG 21 HB1 ARG 21 7.024 3.656 0.994
133 1HG ARG 21 HG2 ARG 21 9.179 2.763 1.459
134 2HG ARG 21 HG1 ARG 21 8.877 1.352 0.441
135 1HD ARG 21 HD2 ARG 21 10.318 3.015 -0.644
136 2HD ARG 21 HD1 ARG 21 8.822 2.732 -1.519
137 HE ARG 21 HE ARG 21 8.732 4.985 0.296
138 1HH1 ARG 21 HH11 ARG 21 9.580 3.942 -2.957
139 2HH1 ARG 21 HH12 ARG 21 9.372 5.512 -3.631
140 1HH2 ARG 21 HH21 ARG 21 8.478 7.052 -0.609
141 2HH2 ARG 21 HH22 ARG 21 8.752 7.292 -2.303
142 H LYS 22 HN LYS 22 6.139 3.471 3.542
143 HA LYS 22 HA LYS 22 8.479 3.173 5.095
144 1HB LYS 22 HB2 LYS 22 5.777 4.356 5.743
145 2HB LYS 22 HB1 LYS 22 7.150 4.438 6.817
146 1HG LYS 22 HG2 LYS 22 8.409 5.677 5.126
147 2HG LYS 22 HG1 LYS 22 7.035 5.595 4.049
148 1HD LYS 22 HD2 LYS 22 6.723 7.676 4.942
149 2HD LYS 22 HD1 LYS 22 5.740 6.716 6.042
150 1HE LYS 22 HE2 LYS 22 8.592 7.590 6.534
151 2HE LYS 22 HE1 LYS 22 7.158 8.360 7.202
152 1HZ LYS 22 HZ1 LYS 22 7.873 6.995 8.888
153 2HZ LYS 22 HZ2 LYS 22 8.319 5.737 7.858
154 3HZ LYS 22 HZ3 LYS 22 6.681 6.041 8.168
155 H GLN 23 HN GLN 23 5.257 1.725 5.342
156 HA GLN 23 HA GLN 23 5.846 0.475 7.878
157 1HB GLN 23 HB2 GLN 23 3.515 0.114 5.983
158 2HB GLN 23 HB1 GLN 23 3.647 -0.576 7.597
159 1HG GLN 23 HG2 GLN 23 3.735 1.673 8.508
160 2HG GLN 23 HG1 GLN 23 3.540 2.361 6.936
161 1HE2 GLN 23 HE21 GLN 23 1.902 -0.533 8.135
162 2HE2 GLN 23 HE22 GLN 23 0.345 0.177 8.135
163 H THR 24 HN THR 24 5.237 -0.768 4.568
164 HA THR 24 HA THR 24 6.027 -3.426 5.488
165 HB THR 24 HB THR 24 5.220 -4.185 3.330
166 HG1 THR 24 HG1 THR 24 4.611 -2.802 1.739
167 1HG2 THR 24 HG21 THR 24 3.314 -2.281 4.626
168 2HG2 THR 24 HG22 THR 24 3.604 -3.954 5.107
169 3HG2 THR 24 HG23 THR 24 2.874 -3.599 3.541
170 H GLY 25 HN GLY 25 7.300 -0.883 3.426
171 1HA GLY 25 HA2 GLY 25 9.645 -0.819 2.913
172 2HA GLY 25 HA1 GLY 25 9.671 -2.573 2.869
173 H CYS 26 HN CYS 26 6.872 -2.151 1.464
174 HA CYS 26 HA CYS 26 8.013 -1.761 -1.208
175 1HB CYS 26 HB2 CYS 26 5.695 -3.483 -0.369
176 2HB CYS 26 HB1 CYS 26 6.241 -3.255 -2.020
177 HA PRO 27 HA PRO 27 5.184 1.692 -1.238
178 1HB PRO 27 HB2 PRO 27 5.837 2.711 -3.623
179 2HB PRO 27 HB1 PRO 27 6.999 2.684 -2.306
180 1HG PRO 27 HG2 PRO 27 6.752 0.812 -4.625
181 2HG PRO 27 HG1 PRO 27 8.208 1.572 -3.956
182 1HD PRO 27 HD2 PRO 27 7.409 -0.994 -3.377
183 2HD PRO 27 HD1 PRO 27 8.414 0.006 -2.307
184 H ASN 28 HN ASN 28 4.385 -1.111 -2.419
185 HA ASN 28 HA ASN 28 2.610 -0.293 -4.560
186 1HB ASN 28 HB2 ASN 28 3.209 -2.986 -3.327
187 2HB ASN 28 HB1 ASN 28 2.065 -2.738 -4.630
188 1HD2 ASN 28 HD21 ASN 28 2.822 -1.986 -6.666
189 2HD2 ASN 28 HD22 ASN 28 4.463 -2.280 -7.119
190 H ALA 29 HN ALA 29 1.092 0.993 -3.563
191 HA ALA 29 HA ALA 29 -0.790 -0.431 -1.796
192 1HB ALA 29 HB1 ALA 29 -0.257 1.036 -0.211
193 2HB ALA 29 HB2 ALA 29 -1.143 2.222 -1.159
194 3HB ALA 29 HB3 ALA 29 0.605 2.086 -1.329
195 H LYS 30 HN LYS 30 -2.997 0.565 -1.850
196 HA LYS 30 HA LYS 30 -3.656 2.217 -4.109
197 1HB LYS 30 HB2 LYS 30 -3.426 -0.148 -5.060
198 2HB LYS 30 HB1 LYS 30 -4.848 -0.570 -4.111
199 1HG LYS 30 HG2 LYS 30 -6.054 1.283 -5.306
200 2HG LYS 30 HG1 LYS 30 -4.639 1.452 -6.336
201 1HD LYS 30 HD2 LYS 30 -4.945 -0.897 -7.014
202 2HD LYS 30 HD1 LYS 30 -6.396 -0.983 -6.017
203 1HE LYS 30 HE2 LYS 30 -5.921 0.829 -8.384
204 2HE LYS 30 HE1 LYS 30 -6.971 -0.585 -8.342
205 1HZ LYS 30 HZ1 LYS 30 -8.345 1.282 -8.088
206 2HZ LYS 30 HZ2 LYS 30 -7.344 1.993 -6.931
207 3HZ LYS 30 HZ3 LYS 30 -8.239 0.608 -6.541
208 H CYS 31 HN CYS 31 -5.957 2.732 -4.176
209 HA CYS 31 HA CYS 31 -7.128 2.716 -1.495
210 1HB CYS 31 HB2 CYS 31 -7.041 4.891 -2.321
211 2HB CYS 31 HB1 CYS 31 -7.477 4.405 -3.955
212 H ILE 32 HN ILE 32 -8.633 1.235 -1.042
213 HA ILE 32 HA ILE 32 -10.746 0.739 -3.002
214 HB ILE 32 HB ILE 32 -10.860 -1.657 -2.553
215 1HG1 ILE 32 HG12 ILE 32 -8.177 -1.420 -1.202
216 2HG1 ILE 32 HG11 ILE 32 -9.666 -1.550 -0.312
217 1HG2 ILE 32 HG21 ILE 32 -9.653 -0.875 -4.526
218 2HG2 ILE 32 HG22 ILE 32 -8.994 -2.389 -3.913
219 3HG2 ILE 32 HG23 ILE 32 -8.148 -0.871 -3.605
220 1HD1 ILE 32 HD11 ILE 32 -8.535 -3.606 -2.160
221 2HD1 ILE 32 HD12 ILE 32 -10.131 -3.694 -1.413
222 3HD1 ILE 32 HD13 ILE 32 -8.683 -3.691 -0.407
223 H ASN 33 HN ASN 33 -12.725 0.494 -2.093
224 HA ASN 33 HA ASN 33 -14.363 0.771 -0.567
225 1HB ASN 33 HB2 ASN 33 -13.375 -1.598 -0.133
226 2HB ASN 33 HB1 ASN 33 -12.709 -0.899 1.338
227 1HD2 ASN 33 HD21 ASN 33 -15.602 -1.850 -0.343
228 2HD2 ASN 33 HD22 ASN 33 -16.654 -1.739 1.023
229 H LYS 34 HN LYS 34 -12.641 2.917 -0.579
230 HA LYS 34 HA LYS 34 -11.949 4.722 0.560
231 1HB LYS 34 HB2 LYS 34 -14.112 3.757 2.391
232 2HB LYS 34 HB1 LYS 34 -13.211 5.231 2.725
233 1HG LYS 34 HG2 LYS 34 -13.897 6.076 0.488
234 2HG LYS 34 HG1 LYS 34 -14.938 4.655 0.338
235 1HD LYS 34 HD2 LYS 34 -16.162 5.313 2.331
236 2HD LYS 34 HD1 LYS 34 -15.090 6.700 2.556
237 1HE LYS 34 HE2 LYS 34 -17.182 7.384 1.531
238 2HE LYS 34 HE1 LYS 34 -15.838 7.623 0.416
239 1HZ LYS 34 HZ1 LYS 34 -16.467 5.707 -0.807
240 2HZ LYS 34 HZ2 LYS 34 -17.870 6.615 -0.574
241 3HZ LYS 34 HZ3 LYS 34 -17.604 5.230 0.356
242 H SER 35 HN SER 35 -10.368 2.396 0.920
243 HA SER 35 HA SER 35 -8.974 3.238 3.330
244 1HB SER 35 HB2 SER 35 -10.575 1.292 3.898
245 2HB SER 35 HB1 SER 35 -9.492 0.282 2.941
246 HG SER 35 HG SER 35 -8.998 0.359 5.217
247 H CYS 36 HN CYS 36 -6.758 2.762 3.247
248 HA CYS 36 HA CYS 36 -5.794 2.175 0.551
249 1HB CYS 36 HB2 CYS 36 -4.857 4.116 1.669
250 2HB CYS 36 HB1 CYS 36 -4.314 3.112 3.012
251 H LYS 37 HN LYS 37 -4.953 0.261 0.004
252 HA LYS 37 HA LYS 37 -4.173 -1.591 2.171
253 1HB LYS 37 HB2 LYS 37 -4.861 -3.441 0.668
254 2HB LYS 37 HB1 LYS 37 -6.171 -2.435 1.209
255 1HG LYS 37 HG2 LYS 37 -6.627 -2.863 -1.025
256 2HG LYS 37 HG1 LYS 37 -6.057 -1.210 -0.996
257 1HD LYS 37 HD2 LYS 37 -5.174 -2.479 -2.883
258 2HD LYS 37 HD1 LYS 37 -3.885 -1.961 -1.840
259 1HE LYS 37 HE2 LYS 37 -3.522 -4.234 -2.548
260 2HE LYS 37 HE1 LYS 37 -3.837 -4.227 -0.825
261 1HZ LYS 37 HZ1 LYS 37 -5.875 -4.811 -2.906
262 2HZ LYS 37 HZ2 LYS 37 -6.070 -4.953 -1.230
263 3HZ LYS 37 HZ3 LYS 37 -5.012 -5.984 -2.047
264 H CYS 38 HN CYS 38 -2.436 -2.995 1.719
265 HA CYS 38 HA CYS 38 -0.635 -2.004 -0.410
266 1HB CYS 38 HB2 CYS 38 -0.010 -3.401 2.193
267 2HB CYS 38 HB1 CYS 38 1.183 -3.027 0.954
268 H TYR 39 HN TYR 39 0.445 -3.554 -1.688
269 HA TYR 39 HA TYR 39 -1.214 -5.843 -2.249
270 1HB TYR 39 HB2 TYR 39 1.306 -4.753 -3.496
271 2HB TYR 39 HB1 TYR 39 0.582 -6.261 -4.040
272 HD1 TYR 39 HD1 TYR 39 0.182 -2.626 -3.955
273 HD2 TYR 39 HD2 TYR 39 -1.529 -6.277 -5.244
274 HE1 TYR 39 HE1 TYR 39 -1.294 -1.368 -5.436
275 HE2 TYR 39 HE2 TYR 39 -3.032 -5.038 -6.740
276 HH TYR 39 HH TYR 39 -4.009 -2.699 -6.863
277 H GLY 40 HN GLY 40 1.028 -5.488 0.100
278 1HA GLY 40 HA2 GLY 40 1.489 -7.326 1.481
279 2HA GLY 40 HA1 GLY 40 1.617 -8.365 0.076
280 H CYS 41 HN CYS 41 3.413 -7.346 2.417
281 HA CYS 41 HA CYS 41 5.869 -7.678 1.045
282 1HB CYS 41 HB2 CYS 41 5.268 -5.319 0.390
283 2HB CYS 41 HB1 CYS 41 5.377 -4.887 2.047
Start of MODEL 25
1 1H TRP 1 HT1 TRP 1 7.657 1.902 11.145
2 2H TRP 1 HT2 TRP 1 7.013 2.199 9.579
3 3H TRP 1 HT3 TRP 1 7.047 0.605 10.201
4 HA TRP 1 HA TRP 1 4.868 1.469 10.294
5 1HB TRP 1 HB2 TRP 1 6.236 1.254 12.983
6 2HB TRP 1 HB1 TRP 1 4.487 1.271 12.778
7 HD1 TRP 1 HD1 TRP 1 4.066 -0.716 10.440
8 HE1 TRP 1 HE1 TRP 1 4.586 -3.218 10.730
9 HE3 TRP 1 HE3 TRP 1 7.310 -0.413 14.373
10 HZ2 TRP 1 HZ2 TRP 1 6.158 -4.849 12.412
11 HZ3 TRP 1 HZ3 TRP 1 8.274 -2.492 15.269
12 HH2 TRP 1 HH2 TRP 1 7.708 -4.664 14.307
13 H CYS 2 HN CYS 2 4.151 3.426 9.736
14 HA CYS 2 HA CYS 2 5.056 5.803 11.195
15 1HB CYS 2 HB2 CYS 2 3.692 7.019 9.451
16 2HB CYS 2 HB1 CYS 2 5.079 6.114 8.882
17 H SER 3 HN SER 3 3.970 6.442 12.938
18 HA SER 3 HA SER 3 1.396 5.377 13.609
19 1HB SER 3 HB2 SER 3 2.853 7.689 14.917
20 2HB SER 3 HB1 SER 3 1.582 6.685 15.621
21 HG SER 3 HG SER 3 3.821 6.146 16.195
22 H THR 4 HN THR 4 2.502 8.195 11.930
23 HA THR 4 HA THR 4 -0.011 9.625 12.191
24 HB THR 4 HB THR 4 2.143 10.873 12.025
25 HG1 THR 4 HG1 THR 4 0.387 12.050 11.383
26 1HG2 THR 4 HG21 THR 4 3.366 10.999 9.982
27 2HG2 THR 4 HG22 THR 4 2.207 9.975 9.146
28 3HG2 THR 4 HG23 THR 4 3.236 9.298 10.406
29 H CYS 5 HN CYS 5 0.171 6.882 10.923
30 HA CYS 5 HA CYS 5 -1.026 7.572 8.335
31 1HB CYS 5 HB2 CYS 5 0.401 5.060 9.202
32 2HB CYS 5 HB1 CYS 5 -0.449 5.240 7.681
33 H LEU 6 HN LEU 6 -2.664 8.034 10.220
34 HA LEU 6 HA LEU 6 -4.442 5.672 10.340
35 1HB LEU 6 HB2 LEU 6 -3.704 6.521 12.562
36 2HB LEU 6 HB1 LEU 6 -4.403 8.080 12.168
37 HG LEU 6 HG LEU 6 -6.640 6.989 12.006
38 1HD1 LEU 6 HD11 LEU 6 -5.950 4.725 11.483
39 2HD1 LEU 6 HD12 LEU 6 -6.911 4.737 12.956
40 3HD1 LEU 6 HD13 LEU 6 -5.157 4.577 13.051
41 1HD2 LEU 6 HD21 LEU 6 -5.211 6.612 14.636
42 2HD2 LEU 6 HD22 LEU 6 -6.956 6.734 14.405
43 3HD2 LEU 6 HD23 LEU 6 -5.923 8.117 14.051
44 H ASP 7 HN ASP 7 -4.113 9.124 9.734
45 HA ASP 7 HA ASP 7 -6.822 9.330 8.674
46 1HB ASP 7 HB2 ASP 7 -4.589 11.274 9.219
47 2HB ASP 7 HB1 ASP 7 -5.908 11.734 8.150
48 H LEU 8 HN LEU 8 -5.765 7.494 7.152
49 HA LEU 8 HA LEU 8 -4.794 8.897 4.746
50 1HB LEU 8 HB2 LEU 8 -3.839 6.647 4.107
51 2HB LEU 8 HB1 LEU 8 -3.048 7.533 5.373
52 HG LEU 8 HG LEU 8 -4.184 6.086 7.058
53 1HD1 LEU 8 HD11 LEU 8 -5.130 4.615 4.607
54 2HD1 LEU 8 HD12 LEU 8 -6.099 5.285 5.915
55 3HD1 LEU 8 HD13 LEU 8 -5.071 3.893 6.212
56 1HD2 LEU 8 HD21 LEU 8 -2.718 4.213 6.757
57 2HD2 LEU 8 HD22 LEU 8 -1.893 5.688 6.259
58 3HD2 LEU 8 HD23 LEU 8 -2.531 4.586 5.042
59 H ALA 9 HN ALA 9 -7.536 8.256 5.799
60 HA ALA 9 HA ALA 9 -8.769 6.224 4.454
61 1HB ALA 9 HB1 ALA 9 -9.965 8.891 5.150
62 2HB ALA 9 HB2 ALA 9 -9.773 7.529 6.255
63 3HB ALA 9 HB3 ALA 9 -10.830 7.390 4.865
64 H CYS 10 HN CYS 10 -7.841 6.128 2.345
65 HA CYS 10 HA CYS 10 -7.551 6.577 0.197
66 1HB CYS 10 HB2 CYS 10 -10.393 7.280 0.634
67 2HB CYS 10 HB1 CYS 10 -9.692 7.931 -0.841
68 H THR 11 HN THR 11 -6.020 8.002 1.434
69 HA THR 11 HA THR 11 -6.363 10.848 1.061
70 HB THR 11 HB THR 11 -5.061 9.970 2.957
71 HG1 THR 11 HG1 THR 11 -3.412 11.424 1.128
72 1HG2 THR 11 HG21 THR 11 -3.317 8.767 0.813
73 2HG2 THR 11 HG22 THR 11 -4.088 7.988 2.179
74 3HG2 THR 11 HG23 THR 11 -2.743 9.073 2.443
75 H GLY 12 HN GLY 12 -6.002 8.515 -1.142
76 1HA GLY 12 HA2 GLY 12 -5.664 9.032 -3.413
77 2HA GLY 12 HA1 GLY 12 -4.403 10.171 -2.962
78 H SER 13 HN SER 13 -4.540 7.596 -4.646
79 HA SER 13 HA SER 13 -3.076 5.574 -3.426
80 1HB SER 13 HB2 SER 13 -2.319 5.081 -5.856
81 2HB SER 13 HB1 SER 13 -4.043 5.054 -5.493
82 HG SER 13 HG SER 13 -3.373 6.270 -7.413
83 H LYS 14 HN LYS 14 -1.883 8.409 -5.230
84 HA LYS 14 HA LYS 14 0.839 7.731 -5.062
85 1HB LYS 14 HB2 LYS 14 1.336 9.932 -5.795
86 2HB LYS 14 HB1 LYS 14 -0.108 9.385 -6.634
87 1HG LYS 14 HG2 LYS 14 -1.506 10.714 -5.145
88 2HG LYS 14 HG1 LYS 14 -0.087 11.221 -4.239
89 1HD LYS 14 HD2 LYS 14 -0.659 12.990 -5.718
90 2HD LYS 14 HD1 LYS 14 0.825 12.248 -6.314
91 1HE LYS 14 HE2 LYS 14 -0.595 12.657 -8.179
92 2HE LYS 14 HE1 LYS 14 -0.588 10.921 -7.920
93 1HZ LYS 14 HZ1 LYS 14 -2.806 11.834 -8.357
94 2HZ LYS 14 HZ2 LYS 14 -2.709 12.769 -6.953
95 3HZ LYS 14 HZ3 LYS 14 -2.721 11.080 -6.849
96 H ASP 15 HN ASP 15 -1.319 9.038 -2.713
97 HA ASP 15 HA ASP 15 0.841 10.009 -1.019
98 1HB ASP 15 HB2 ASP 15 -1.466 11.119 -1.201
99 2HB ASP 15 HB1 ASP 15 -2.070 9.788 -0.240
100 H CYS 16 HN CYS 16 -1.521 7.381 -1.207
101 HA CYS 16 HA CYS 16 -0.990 6.145 1.253
102 1HB CYS 16 HB2 CYS 16 -1.897 4.958 -1.371
103 2HB CYS 16 HB1 CYS 16 -1.885 4.082 0.135
104 H TYR 17 HN TYR 17 0.776 6.154 -1.753
105 HA TYR 17 HA TYR 17 2.363 3.885 -1.470
106 1HB TYR 17 HB2 TYR 17 3.005 6.606 -2.622
107 2HB TYR 17 HB1 TYR 17 4.075 5.216 -2.783
108 HD1 TYR 17 HD1 TYR 17 1.461 3.328 -3.056
109 HD2 TYR 17 HD2 TYR 17 2.972 6.745 -5.104
110 HE1 TYR 17 HE1 TYR 17 0.309 2.628 -5.089
111 HE2 TYR 17 HE2 TYR 17 1.796 6.030 -7.139
112 HH TYR 17 HH TYR 17 -0.554 4.262 -7.389
113 H ALA 18 HN ALA 18 2.659 7.026 0.097
114 HA ALA 18 HA ALA 18 5.263 6.580 1.104
115 1HB ALA 18 HB1 ALA 18 4.896 8.770 1.218
116 2HB ALA 18 HB2 ALA 18 4.291 8.418 2.833
117 3HB ALA 18 HB3 ALA 18 3.168 8.607 1.488
118 HA PRO 19 HA PRO 19 3.076 5.299 5.337
119 1HB PRO 19 HB2 PRO 19 0.502 4.381 4.121
120 2HB PRO 19 HB1 PRO 19 0.787 5.056 5.707
121 1HG PRO 19 HG2 PRO 19 -0.301 6.522 3.801
122 2HG PRO 19 HG1 PRO 19 0.907 7.241 4.883
123 1HD PRO 19 HD2 PRO 19 1.201 6.332 2.082
124 2HD PRO 19 HD1 PRO 19 1.913 7.712 2.889
125 H CYS 20 HN CYS 20 1.995 3.667 2.369
126 HA CYS 20 HA CYS 20 2.212 1.038 3.305
127 1HB CYS 20 HB2 CYS 20 1.081 1.725 1.197
128 2HB CYS 20 HB1 CYS 20 2.657 2.003 0.464
129 H ARG 21 HN ARG 21 4.576 3.115 1.669
130 HA ARG 21 HA ARG 21 6.662 1.201 1.542
131 1HB ARG 21 HB2 ARG 21 6.539 3.288 0.205
132 2HB ARG 21 HB1 ARG 21 6.844 4.222 1.656
133 1HG ARG 21 HG2 ARG 21 9.046 3.270 1.867
134 2HG ARG 21 HG1 ARG 21 8.745 2.187 0.504
135 1HD ARG 21 HD2 ARG 21 8.506 4.108 -0.970
136 2HD ARG 21 HD1 ARG 21 8.771 5.204 0.376
137 HE ARG 21 HE ARG 21 11.003 3.715 0.427
138 1HH1 ARG 21 HH11 ARG 21 9.398 5.429 -2.199
139 2HH1 ARG 21 HH12 ARG 21 10.871 5.717 -3.043
140 1HH2 ARG 21 HH21 ARG 21 12.924 4.130 -0.711
141 2HH2 ARG 21 HH22 ARG 21 12.864 4.993 -2.212
142 H LYS 22 HN LYS 22 5.799 3.686 3.919
143 HA LYS 22 HA LYS 22 8.049 3.308 5.603
144 1HB LYS 22 HB2 LYS 22 5.379 4.646 5.835
145 2HB LYS 22 HB1 LYS 22 6.345 4.427 7.288
146 1HG LYS 22 HG2 LYS 22 8.161 5.673 6.352
147 2HG LYS 22 HG1 LYS 22 7.319 5.822 4.807
148 1HD LYS 22 HD2 LYS 22 5.650 7.221 5.737
149 2HD LYS 22 HD1 LYS 22 6.169 6.874 7.383
150 1HE LYS 22 HE2 LYS 22 6.877 9.099 6.616
151 2HE LYS 22 HE1 LYS 22 8.230 8.056 7.050
152 1HZ LYS 22 HZ1 LYS 22 7.292 8.421 4.256
153 2HZ LYS 22 HZ2 LYS 22 8.729 7.695 4.782
154 3HZ LYS 22 HZ3 LYS 22 8.508 9.358 4.965
155 H GLN 23 HN GLN 23 5.086 1.524 5.271
156 HA GLN 23 HA GLN 23 5.477 0.249 7.887
157 1HB GLN 23 HB2 GLN 23 3.239 0.933 7.454
158 2HB GLN 23 HB1 GLN 23 3.232 0.134 5.887
159 1HG GLN 23 HG2 GLN 23 3.241 -2.017 6.870
160 2HG GLN 23 HG1 GLN 23 3.581 -1.364 8.470
161 1HE2 GLN 23 HE21 GLN 23 1.379 -3.063 7.434
162 2HE2 GLN 23 HE22 GLN 23 -0.061 -2.220 7.878
163 H THR 24 HN THR 24 5.042 -0.748 4.468
164 HA THR 24 HA THR 24 5.877 -3.443 5.190
165 HB THR 24 HB THR 24 5.258 -4.056 2.928
166 HG1 THR 24 HG1 THR 24 4.770 -2.558 1.382
167 1HG2 THR 24 HG21 THR 24 3.221 -2.185 4.106
168 2HG2 THR 24 HG22 THR 24 3.456 -3.874 4.561
169 3HG2 THR 24 HG23 THR 24 2.902 -3.465 2.938
170 H GLY 25 HN GLY 25 7.168 -0.668 3.454
171 1HA GLY 25 HA2 GLY 25 9.516 -0.421 3.076
172 2HA GLY 25 HA1 GLY 25 9.678 -2.167 2.978
173 H CYS 26 HN CYS 26 6.892 -1.729 1.437
174 HA CYS 26 HA CYS 26 8.159 -1.252 -1.159
175 1HB CYS 26 HB2 CYS 26 5.864 -3.060 -0.444
176 2HB CYS 26 HB1 CYS 26 6.343 -2.688 -2.087
177 HA PRO 27 HA PRO 27 5.400 2.222 -1.161
178 1HB PRO 27 HB2 PRO 27 6.321 3.437 -3.321
179 2HB PRO 27 HB1 PRO 27 7.401 3.089 -1.979
180 1HG PRO 27 HG2 PRO 27 7.052 1.540 -4.515
181 2HG PRO 27 HG1 PRO 27 8.554 2.095 -3.752
182 1HD PRO 27 HD2 PRO 27 7.497 -0.432 -3.438
183 2HD PRO 27 HD1 PRO 27 8.587 0.360 -2.279
184 H ASN 28 HN ASN 28 4.346 -0.355 -2.505
185 HA ASN 28 HA ASN 28 2.703 0.955 -4.567
186 1HB ASN 28 HB2 ASN 28 2.349 -1.285 -5.520
187 2HB ASN 28 HB1 ASN 28 4.030 -0.779 -5.536
188 1HD2 ASN 28 HD21 ASN 28 2.902 -3.449 -5.712
189 2HD2 ASN 28 HD22 ASN 28 3.589 -4.333 -4.397
190 H ALA 29 HN ALA 29 0.822 1.515 -3.739
191 HA ALA 29 HA ALA 29 -0.823 -0.432 -2.376
192 1HB ALA 29 HB1 ALA 29 -1.097 2.218 -1.170
193 2HB ALA 29 HB2 ALA 29 0.489 1.504 -0.926
194 3HB ALA 29 HB3 ALA 29 -0.950 0.629 -0.421
195 H LYS 30 HN LYS 30 -3.080 0.200 -2.244
196 HA LYS 30 HA LYS 30 -3.943 2.270 -4.151
197 1HB LYS 30 HB2 LYS 30 -3.832 0.097 -5.344
198 2HB LYS 30 HB1 LYS 30 -4.935 -0.598 -4.184
199 1HG LYS 30 HG2 LYS 30 -6.172 -0.066 -6.116
200 2HG LYS 30 HG1 LYS 30 -6.627 1.109 -4.887
201 1HD LYS 30 HD2 LYS 30 -5.206 2.782 -5.889
202 2HD LYS 30 HD1 LYS 30 -4.583 1.611 -7.056
203 1HE LYS 30 HE2 LYS 30 -7.448 2.546 -6.846
204 2HE LYS 30 HE1 LYS 30 -6.275 3.066 -8.054
205 1HZ LYS 30 HZ1 LYS 30 -7.562 1.413 -9.064
206 2HZ LYS 30 HZ2 LYS 30 -7.479 0.383 -7.731
207 3HZ LYS 30 HZ3 LYS 30 -6.105 0.641 -8.687
208 H CYS 31 HN CYS 31 -5.638 3.424 -3.282
209 HA CYS 31 HA CYS 31 -6.589 2.531 -0.712
210 1HB CYS 31 HB2 CYS 31 -7.222 4.628 -0.263
211 2HB CYS 31 HB1 CYS 31 -6.065 4.994 -1.523
212 H ILE 32 HN ILE 32 -8.168 1.169 -0.501
213 HA ILE 32 HA ILE 32 -10.562 1.434 -2.198
214 HB ILE 32 HB ILE 32 -10.831 -1.046 -2.124
215 1HG1 ILE 32 HG12 ILE 32 -7.908 -1.089 -1.317
216 2HG1 ILE 32 HG11 ILE 32 -9.224 -1.393 -0.197
217 1HG2 ILE 32 HG21 ILE 32 -8.341 -0.109 -3.543
218 2HG2 ILE 32 HG22 ILE 32 -9.995 0.088 -4.122
219 3HG2 ILE 32 HG23 ILE 32 -9.311 -1.524 -3.951
220 1HD1 ILE 32 HD11 ILE 32 -8.505 -3.031 -2.593
221 2HD1 ILE 32 HD12 ILE 32 -9.942 -3.284 -1.601
222 3HD1 ILE 32 HD13 ILE 32 -8.337 -3.466 -0.894
223 H ASN 33 HN ASN 33 -12.454 1.187 -1.089
224 HA ASN 33 HA ASN 33 -13.829 1.383 0.698
225 1HB ASN 33 HB2 ASN 33 -11.933 -0.688 1.843
226 2HB ASN 33 HB1 ASN 33 -13.413 -0.178 2.645
227 1HD2 ASN 33 HD21 ASN 33 -14.285 -2.238 2.569
228 2HD2 ASN 33 HD22 ASN 33 -14.860 -2.926 1.093
229 H LYS 34 HN LYS 34 -11.693 3.242 0.375
230 HA LYS 34 HA LYS 34 -10.743 4.989 1.405
231 1HB LYS 34 HB2 LYS 34 -12.534 4.157 3.665
232 2HB LYS 34 HB1 LYS 34 -11.476 5.550 3.739
233 1HG LYS 34 HG2 LYS 34 -12.611 6.573 1.866
234 2HG LYS 34 HG1 LYS 34 -13.644 5.153 1.691
235 1HD LYS 34 HD2 LYS 34 -14.778 6.989 2.869
236 2HD LYS 34 HD1 LYS 34 -14.614 5.551 3.878
237 1HE LYS 34 HE2 LYS 34 -12.727 6.540 5.031
238 2HE LYS 34 HE1 LYS 34 -12.784 7.955 3.975
239 1HZ LYS 34 HZ1 LYS 34 -14.975 8.449 4.881
240 2HZ LYS 34 HZ2 LYS 34 -13.810 8.372 6.104
241 3HZ LYS 34 HZ3 LYS 34 -14.887 7.087 5.886
242 H SER 35 HN SER 35 -9.716 2.082 1.802
243 HA SER 35 HA SER 35 -7.789 2.746 3.924
244 1HB SER 35 HB2 SER 35 -8.612 -0.017 3.000
245 2HB SER 35 HB1 SER 35 -7.597 0.403 4.383
246 HG SER 35 HG SER 35 -9.718 -0.039 5.052
247 H CYS 36 HN CYS 36 -5.693 2.855 3.318
248 HA CYS 36 HA CYS 36 -4.978 2.519 0.540
249 1HB CYS 36 HB2 CYS 36 -3.239 3.061 2.949
250 2HB CYS 36 HB1 CYS 36 -2.731 3.161 1.283
251 H LYS 37 HN LYS 37 -5.482 0.313 0.231
252 HA LYS 37 HA LYS 37 -4.132 -1.688 1.821
253 1HB LYS 37 HB2 LYS 37 -6.511 -1.679 0.640
254 2HB LYS 37 HB1 LYS 37 -5.618 -2.351 -0.704
255 1HG LYS 37 HG2 LYS 37 -5.537 -3.487 2.094
256 2HG LYS 37 HG1 LYS 37 -6.726 -3.976 0.890
257 1HD LYS 37 HD2 LYS 37 -3.739 -4.185 0.513
258 2HD LYS 37 HD1 LYS 37 -4.765 -5.490 1.068
259 1HE LYS 37 HE2 LYS 37 -6.053 -5.389 -1.002
260 2HE LYS 37 HE1 LYS 37 -5.034 -4.075 -1.582
261 1HZ LYS 37 HZ1 LYS 37 -4.385 -6.219 -2.484
262 2HZ LYS 37 HZ2 LYS 37 -4.070 -6.802 -0.929
263 3HZ LYS 37 HZ3 LYS 37 -3.146 -5.535 -1.564
264 H CYS 38 HN CYS 38 -2.183 -2.466 1.399
265 HA CYS 38 HA CYS 38 -0.727 -1.616 -0.923
266 1HB CYS 38 HB2 CYS 38 0.007 -3.447 1.356
267 2HB CYS 38 HB1 CYS 38 1.136 -2.915 0.115
268 H TYR 39 HN TYR 39 0.302 -2.977 -2.465
269 HA TYR 39 HA TYR 39 -1.360 -5.204 -3.296
270 1HB TYR 39 HB2 TYR 39 1.163 -4.046 -4.460
271 2HB TYR 39 HB1 TYR 39 0.263 -5.350 -5.205
272 HD1 TYR 39 HD1 TYR 39 -1.913 -4.919 -6.246
273 HD2 TYR 39 HD2 TYR 39 0.362 -1.768 -4.559
274 HE1 TYR 39 HE1 TYR 39 -3.292 -3.279 -7.447
275 HE2 TYR 39 HE2 TYR 39 -1.004 -0.114 -5.735
276 HH TYR 39 HH TYR 39 -2.582 -0.440 -8.160
277 H GLY 40 HN GLY 40 1.067 -4.923 -1.065
278 1HA GLY 40 HA2 GLY 40 1.702 -6.808 0.176
279 2HA GLY 40 HA1 GLY 40 1.703 -7.781 -1.284
280 H CYS 41 HN CYS 41 3.775 -7.171 0.807
281 HA CYS 41 HA CYS 41 5.914 -6.328 -1.054
282 1HB CYS 41 HB2 CYS 41 5.379 -4.607 0.698
283 2HB CYS 41 HB1 CYS 41 5.806 -5.789 1.921