Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25511 | 2k9e RC | 15983 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PFX 0 HA PFX 0 -4.228 11.700 -12.704
2 H1N PFX 0 H1N PFX 0 -2.056 12.837 -12.426
3 H2N PFX 0 H2N PFX 0 -2.537 12.665 -14.047
4 H3N PFX 0 H3N PFX 0 -1.345 11.642 -13.399
5 H1B PFX 0 1HB PFX 0 -2.401 9.763 -14.119
6 H2B PFX 0 2HB PFX 0 -3.934 10.432 -14.678
7 HD1 PFX 0 HD1 PFX 0 -6.068 9.791 -13.413
8 HD2 PFX 0 HD2 PFX 0 -2.331 7.750 -12.887
9 HE1 PFX 0 HE1 PFX 0 -7.264 7.860 -12.424
10 HE2 PFX 0 HE2 PFX 0 -3.522 5.818 -11.898
11 HNH PFX 0 HNH PFX 0 -4.285 11.654 -10.413
12 H11 PFX 0 1HNH PFX 0 -3.106 9.761 -8.772
13 H21 PFX 0 2HNH PFX 0 -4.172 8.859 -9.845
14 H12 PFX 0 1H2 PFX 0 -6.097 10.103 -9.097
15 H22 PFX 0 2H2 PFX 0 -5.082 11.230 -8.197
16 H14 PFX 0 1H4 PFX 0 -7.309 9.057 -7.263
17 H24 PFX 0 2H4 PFX 0 -6.708 10.511 -6.463
18 H15 PFX 0 1H5 PFX 0 -5.729 9.187 -4.678
19 H25 PFX 0 2H5 PFX 0 -6.134 7.689 -5.514
20 H17 PFX 0 1H7 PFX 0 -8.202 7.256 -6.134
21 H27 PFX 0 2H7 PFX 0 -9.335 8.607 -6.062
22 H ARG 1 H ARG 1 -7.993 6.412 -3.611
23 HA ARG 1 HA ARG 1 -10.539 6.530 -2.199
24 HB2 ARG 1 2HB ARG 1 -9.344 3.962 -3.244
25 HB3 ARG 1 1HB ARG 1 -10.465 3.996 -1.882
26 HG2 ARG 1 2HG ARG 1 -11.948 5.443 -3.499
27 HG3 ARG 1 1HG ARG 1 -10.963 4.697 -4.760
28 HD2 ARG 1 2HD ARG 1 -11.511 2.454 -3.696
29 HD3 ARG 1 1HD ARG 1 -12.700 3.304 -2.712
30 HE ARG 1 HE ARG 1 -12.982 3.808 -5.543
31 HH11 ARG 1 1HH2 ARG 1 -13.725 1.712 -2.890
32 HH12 ARG 1 2HH2 ARG 1 -15.152 1.060 -3.626
33 HH21 ARG 1 1HH1 ARG 1 -14.849 2.961 -6.511
34 HH22 ARG 1 2HH1 ARG 1 -15.787 1.767 -5.679
35 H SER 2 H SER 2 -9.939 4.482 -0.346
36 HA SER 2 HA SER 2 -7.800 5.806 1.152
37 HB2 SER 2 2HB SER 2 -9.167 3.549 2.429
38 HB3 SER 2 1HB SER 2 -8.919 5.192 3.012
39 HG SER 2 HG SER 2 -11.147 4.564 2.520
40 H CYS 3 H CYS 3 -7.280 3.462 2.796
41 HA CYS 3 HA CYS 3 -5.254 2.231 1.102
42 HB2 CYS 3 2HB CYS 3 -5.865 2.099 4.056
43 HB3 CYS 3 1HB CYS 3 -4.634 1.093 3.296
44 H ILE 4 H ILE 4 -5.918 0.594 -0.153
45 HA ILE 4 HA ILE 4 -7.101 -1.742 1.081
46 HB ILE 4 HB ILE 4 -8.746 -1.363 -1.177
47 HG12 ILE 4 2HG1 ILE 4 -8.849 1.055 0.647
48 HG13 ILE 4 1HG1 ILE 4 -8.061 1.073 -0.931
49 HG21 ILE 4 1HG2 ILE 4 -9.473 -0.899 1.727
50 HG22 ILE 4 2HG2 ILE 4 -9.207 -2.502 1.045
51 HG23 ILE 4 31HG ILE 4 -10.522 -1.494 0.441
52 HD11 ILE 4 3HD1 ILE 4 -10.227 0.285 -1.942
53 HD12 ILE 4 1HD1 ILE 4 -10.321 1.891 -1.220
54 HD13 ILE 4 2HD1 ILE 4 -10.982 0.499 -0.363
55 H ASP 5 H ASP 5 -6.644 -3.590 -0.035
56 HA ASP 5 HA ASP 5 -4.716 -3.353 -2.195
57 HB2 ASP 5 2HB ASP 5 -5.717 -6.006 -1.335
58 HB3 ASP 5 1HB ASP 5 -4.069 -5.467 -1.630
59 H THR 6 H THR 6 -4.927 -5.070 -3.970
60 HA THR 6 HA THR 6 -7.686 -5.019 -5.036
61 HB THR 6 HB THR 6 -6.558 -5.115 -7.294
62 HG1 THR 6 1HG THR 6 -4.537 -5.721 -6.953
63 HG21 THR 6 31HG THR 6 -7.248 -2.963 -7.000
64 HG22 THR 6 1HG2 THR 6 -5.522 -2.647 -6.826
65 HG23 THR 6 2HG2 THR 6 -6.531 -2.847 -5.393
66 H ILE 7 H ILE 7 -5.142 -6.898 -3.908
67 HA ILE 7 HA ILE 7 -6.141 -9.314 -5.289
68 HB ILE 7 HB ILE 7 -3.881 -10.269 -4.582
69 HG12 ILE 7 2HG1 ILE 7 -2.670 -7.609 -4.550
70 HG13 ILE 7 1HG1 ILE 7 -3.756 -7.853 -3.182
71 HG21 ILE 7 1HG2 ILE 7 -2.917 -9.568 -6.588
72 HG22 ILE 7 2HG2 ILE 7 -3.512 -7.917 -6.414
73 HG23 ILE 7 31HG ILE 7 -4.619 -9.209 -6.877
74 HD11 ILE 7 3HD1 ILE 7 -1.232 -8.618 -3.025
75 HD12 ILE 7 1HD1 ILE 7 -1.822 -10.030 -3.899
76 HD13 ILE 7 2HD1 ILE 7 -2.508 -9.615 -2.327
77 HA PRO 8 HA PRO 8 -7.826 -10.984 -1.567
78 HB2 PRO 8 2HB PRO 8 -6.125 -13.374 -2.127
79 HB3 PRO 8 1HB PRO 8 -7.866 -13.279 -1.803
80 HG2 PRO 8 2HG PRO 8 -6.851 -13.656 -4.270
81 HG3 PRO 8 1HG PRO 8 -8.380 -12.818 -3.967
82 HD2 PRO 8 2HD PRO 8 -5.808 -11.704 -4.882
83 HD3 PRO 8 1HD PRO 8 -7.440 -11.011 -4.987
84 H LYS 9 H LYS 9 -6.961 -9.924 0.181
85 HA LYS 9 HA LYS 9 -4.420 -9.507 0.981
86 HB2 LYS 9 2HB LYS 9 -5.984 -10.448 3.262
87 HB3 LYS 9 1HB LYS 9 -5.313 -8.853 2.939
88 HG2 LYS 9 2HG LYS 9 -7.206 -8.411 1.377
89 HG3 LYS 9 1HG LYS 9 -7.896 -9.975 1.816
90 HD2 LYS 9 2HD LYS 9 -7.192 -8.390 4.165
91 HD3 LYS 9 1HD LYS 9 -8.357 -7.563 3.130
92 HE2 LYS 9 2HE LYS 9 -8.731 -10.467 3.844
93 HE3 LYS 9 1HE LYS 9 -9.267 -9.193 4.939
94 HZ1 LYS 9 3HZ LYS 9 -10.103 -9.590 2.121
95 HZ2 LYS 9 1HZ LYS 9 -10.512 -8.230 3.047
96 HZ3 LYS 9 2HZ LYS 9 -11.067 -9.769 3.508
97 H SER 10 H SER 10 -6.073 -12.564 0.973
98 HA SER 10 HA SER 10 -4.417 -14.004 2.745
99 HB2 SER 10 2HB SER 10 -6.643 -14.747 1.809
100 HB3 SER 10 1HB SER 10 -5.807 -15.123 0.306
101 HG SER 10 HG SER 10 -4.445 -16.127 2.383
102 H ARG 11 H ARG 11 -3.445 -12.419 0.070
103 HA ARG 11 HA ARG 11 -1.526 -14.473 -0.801
104 HB2 ARG 11 2HB ARG 11 -2.265 -11.792 -1.988
105 HB3 ARG 11 1HB ARG 11 -1.041 -12.872 -2.649
106 HG2 ARG 11 2HG ARG 11 -3.772 -13.976 -2.107
107 HG3 ARG 11 1HG ARG 11 -3.551 -12.952 -3.526
108 HD2 ARG 11 2HD ARG 11 -1.524 -14.457 -4.067
109 HD3 ARG 11 1HD ARG 11 -2.197 -15.570 -2.882
110 HE ARG 11 HE ARG 11 -3.850 -14.639 -5.149
111 HH11 ARG 11 1HH2 ARG 11 -2.282 -17.153 -3.340
112 HH12 ARG 11 2HH2 ARG 11 -3.101 -18.436 -4.162
113 HH21 ARG 11 1HH1 ARG 11 -4.914 -16.324 -6.226
114 HH22 ARG 11 2HH1 ARG 11 -4.582 -17.969 -5.798
115 H CYS 12 H CYS 12 -1.781 -11.445 0.898
116 HA CYS 12 HA CYS 12 1.000 -10.752 0.777
117 HB2 CYS 12 2HB CYS 12 -0.968 -9.188 1.274
118 HB3 CYS 12 1HB CYS 12 -0.944 -9.862 2.903
119 H THR 13 H THR 13 2.298 -12.406 1.474
120 HA THR 13 HA THR 13 1.811 -13.500 4.169
121 HB THR 13 HB THR 13 2.986 -15.404 3.528
122 HG1 THR 13 1HG THR 13 4.489 -13.603 2.253
123 HG21 THR 13 31HG THR 13 1.687 -16.125 1.816
124 HG22 THR 13 1HG2 THR 13 2.277 -14.871 0.725
125 HG23 THR 13 2HG2 THR 13 0.982 -14.508 1.867
126 H ALA 14 H ALA 14 3.686 -13.804 5.577
127 HA ALA 14 HA ALA 14 5.118 -11.448 6.022
128 HB1 ALA 14 1HB ALA 14 5.348 -14.263 6.988
129 HB2 ALA 14 2HB ALA 14 5.080 -12.780 7.904
130 HB3 ALA 14 3HB ALA 14 6.693 -13.166 7.302
131 H PHE 15 H PHE 15 5.528 -13.726 3.599
132 HA PHE 15 HA PHE 15 8.405 -13.298 3.299
133 HB2 PHE 15 2HB PHE 15 8.146 -15.447 2.630
134 HB3 PHE 15 1HB PHE 15 6.426 -15.238 2.316
135 HD1 PHE 15 2HD PHE 15 9.755 -14.188 0.923
136 HD2 PHE 15 1HD PHE 15 5.679 -15.273 0.112
137 HE1 PHE 15 2HE PHE 15 10.206 -14.068 -1.511
138 HE2 PHE 15 1HE PHE 15 6.130 -15.154 -2.322
139 HZ PHE 15 HZ PHE 15 8.395 -14.551 -3.135
140 H GLN 16 H GLN 16 5.345 -12.520 1.715
141 HA GLN 16 HA GLN 16 6.514 -11.193 -0.532
142 HB2 GLN 16 2HB GLN 16 3.933 -11.974 0.291
143 HB3 GLN 16 1HB GLN 16 3.876 -10.219 0.125
144 HG2 GLN 16 2HG GLN 16 3.391 -10.965 -2.041
145 HG3 GLN 16 1HG GLN 16 5.116 -10.620 -2.126
146 HE21 GLN 16 1HE2 GLN 16 5.282 -12.239 -3.898
147 HE22 GLN 16 2HE2 GLN 16 5.273 -13.896 -3.532
148 H CYS 17 H CYS 17 5.487 -10.246 2.678
149 HA CYS 17 HA CYS 17 5.730 -7.406 2.195
150 HB2 CYS 17 2HB CYS 17 4.195 -8.499 3.898
151 HB3 CYS 17 1HB CYS 17 5.635 -8.822 4.862
152 H LYS 18 H LYS 18 8.023 -9.659 2.183
153 HA LYS 18 HA LYS 18 9.997 -7.901 3.498
154 HB2 LYS 18 2HB LYS 18 9.777 -10.911 3.592
155 HB3 LYS 18 1HB LYS 18 11.264 -10.051 3.989
156 HG2 LYS 18 2HG LYS 18 9.717 -8.633 5.555
157 HG3 LYS 18 1HG LYS 18 8.624 -10.010 5.418
158 HD2 LYS 18 2HD LYS 18 10.392 -11.520 6.209
159 HD3 LYS 18 1HD LYS 18 11.519 -10.165 6.308
160 HE2 LYS 18 2HE LYS 18 9.594 -9.121 7.815
161 HE3 LYS 18 1HE LYS 18 9.180 -10.818 8.057
162 HZ1 LYS 18 3HZ LYS 18 11.660 -11.100 8.536
163 HZ2 LYS 18 1HZ LYS 18 10.699 -10.375 9.731
164 HZ3 LYS 18 2HZ LYS 18 11.685 -9.414 8.736
165 H HIS 19 H HIS 19 9.255 -10.196 0.946
166 HA HIS 19 HA HIS 19 11.821 -9.635 -0.370
167 HB2 HIS 19 2HB HIS 19 9.648 -11.607 -1.115
168 HB3 HIS 19 1HB HIS 19 11.255 -11.497 -1.838
169 HD1 HIS 19 1HD HIS 19 10.204 -11.453 1.832
170 HD2 HIS 19 2HD HIS 19 12.641 -13.630 -0.756
171 HE1 HIS 19 1HE HIS 19 11.410 -13.162 3.255
172 HE2 HIS 19 2HE HIS 19 12.905 -14.495 1.692
173 H SER 20 H SER 20 8.336 -9.296 -0.812
174 HA SER 20 HA SER 20 8.797 -7.817 -3.320
175 HB2 SER 20 2HB SER 20 6.631 -8.350 -3.949
176 HB3 SER 20 1HB SER 20 7.064 -9.770 -3.004
177 HG SER 20 HG SER 20 6.172 -7.964 -1.311
178 H NLE 21 H NLE 21 9.050 -5.697 -3.053
179 HA NLE 21 HA NLE 21 8.137 -4.307 -0.722
180 HB2 NLE 21 1HB NLE 21 8.856 -2.694 -3.081
181 HB3 NLE 21 2HB NLE 21 10.093 -3.842 -2.565
182 HG2 NLE 21 1HG NLE 21 9.979 -2.950 -0.276
183 HG3 NLE 21 2HG NLE 21 8.709 -1.828 -0.765
184 HD2 NLE 21 1HD NLE 21 10.521 -1.142 -2.596
185 HD3 NLE 21 2HD NLE 21 11.636 -1.779 -1.385
186 HE1 NLE 21 3HE NLE 21 11.420 0.508 -0.815
187 HE2 NLE 21 1HE NLE 21 10.322 -0.310 0.296
188 HE3 NLE 21 2HE NLE 21 9.684 0.511 -1.129
189 H LYS 22 H LYS 22 7.079 -4.455 -4.105
190 HA LYS 22 HA LYS 22 5.161 -2.475 -4.156
191 HB2 LYS 22 2HB LYS 22 3.915 -3.975 -5.756
192 HB3 LYS 22 1HB LYS 22 5.620 -3.738 -6.147
193 HG2 LYS 22 2HG LYS 22 5.850 -5.900 -4.561
194 HG3 LYS 22 1HG LYS 22 4.222 -6.180 -5.181
195 HD2 LYS 22 2HD LYS 22 5.389 -5.538 -7.492
196 HD3 LYS 22 1HD LYS 22 6.824 -6.117 -6.644
197 HE2 LYS 22 2HE LYS 22 4.397 -7.622 -7.509
198 HE3 LYS 22 1HE LYS 22 6.087 -8.123 -7.505
199 HZ1 LYS 22 3HZ LYS 22 4.217 -8.844 -5.675
200 HZ2 LYS 22 1HZ LYS 22 5.064 -7.609 -4.878
201 HZ3 LYS 22 2HZ LYS 22 5.900 -8.964 -5.471
202 H TYR 23 H TYR 23 5.215 -5.305 -2.230
203 HA TYR 23 HA TYR 23 2.359 -5.431 -1.809
204 HB2 TYR 23 2HB TYR 23 4.742 -6.907 -0.871
205 HB3 TYR 23 1HB TYR 23 3.395 -6.833 0.267
206 HD1 TYR 23 2HD TYR 23 4.125 -7.505 -3.348
207 HD2 TYR 23 1HD TYR 23 1.595 -8.309 0.026
208 HE1 TYR 23 2HE TYR 23 2.903 -9.214 -4.668
209 HE2 TYR 23 1HE TYR 23 0.374 -10.016 -1.294
210 HH TYR 23 HH TYR 23 -0.027 -10.384 -3.897
211 H ARG 24 H ARG 24 5.168 -4.159 -0.073
212 HA ARG 24 HA ARG 24 3.586 -3.237 2.158
213 HB2 ARG 24 2HB ARG 24 6.462 -2.906 1.332
214 HB3 ARG 24 1HB ARG 24 5.794 -2.102 2.754
215 HG2 ARG 24 2HG ARG 24 5.398 -4.120 3.873
216 HG3 ARG 24 1HG ARG 24 5.396 -5.060 2.382
217 HD2 ARG 24 2HD ARG 24 7.549 -4.756 4.133
218 HD3 ARG 24 1HD ARG 24 7.617 -5.409 2.499
219 HE ARG 24 HE ARG 24 7.742 -2.521 2.612
220 HH11 ARG 24 1HH2 ARG 24 9.488 -5.506 2.764
221 HH12 ARG 24 2HH2 ARG 24 10.973 -4.822 2.194
222 HH21 ARG 24 1HH1 ARG 24 9.675 -1.625 1.858
223 HH22 ARG 24 2HH1 ARG 24 11.080 -2.622 1.682
224 H LEU 25 H LEU 25 3.573 -2.146 -0.904
225 HA LEU 25 HA LEU 25 2.749 0.493 -0.095
226 HB2 LEU 25 2HB LEU 25 4.445 1.799 -0.972
227 HB3 LEU 25 1HB LEU 25 5.353 0.445 -0.318
228 HG LEU 25 HG LEU 25 4.785 -0.495 -2.826
229 HD11 LEU 25 1HD1 LEU 25 5.790 2.079 -3.716
230 HD12 LEU 25 2HD1 LEU 25 4.191 2.264 -3.002
231 HD13 LEU 25 3HD1 LEU 25 4.434 1.144 -4.340
232 HD21 LEU 25 31HD LEU 25 7.094 0.927 -1.567
233 HD22 LEU 25 1HD2 LEU 25 7.180 0.566 -3.291
234 HD23 LEU 25 2HD2 LEU 25 6.972 -0.742 -2.127
235 H SER 26 H SER 26 1.677 -1.838 -1.580
236 HA SER 26 HA SER 26 0.488 -0.322 -3.735
237 HB2 SER 26 2HB SER 26 2.755 -1.648 -4.463
238 HB3 SER 26 1HB SER 26 1.528 -2.875 -4.775
239 HG SER 26 HG SER 26 2.092 -0.625 -6.142
240 H PHE 27 H PHE 27 0.959 -3.707 -2.686
241 HA PHE 27 HA PHE 27 -1.948 -4.099 -2.978
242 HB2 PHE 27 2HB PHE 27 0.161 -6.217 -2.535
243 HB3 PHE 27 1HB PHE 27 -1.508 -6.447 -3.062
244 HD1 PHE 27 2HD PHE 27 -2.235 -5.275 -5.254
245 HD2 PHE 27 1HD PHE 27 1.863 -5.881 -4.124
246 HE1 PHE 27 2HE PHE 27 -1.539 -4.963 -7.615
247 HE2 PHE 27 1HE PHE 27 2.560 -5.568 -6.484
248 HZ PHE 27 HZ PHE 27 0.860 -5.109 -8.228
249 H CYS 28 H CYS 28 0.696 -4.579 -0.647
250 HA CYS 28 HA CYS 28 -1.265 -5.207 1.434
251 HB2 CYS 28 2HB CYS 28 1.285 -6.136 0.945
252 HB3 CYS 28 1HB CYS 28 1.535 -4.991 2.262
253 H ARG 29 H ARG 29 -2.039 -2.886 1.010
254 HA ARG 29 HA ARG 29 -0.410 -0.865 2.346
255 HB2 ARG 29 2HB ARG 29 -3.080 -0.040 1.527
256 HB3 ARG 29 1HB ARG 29 -1.509 0.629 1.091
257 HG2 ARG 29 2HG ARG 29 -1.255 -1.410 -0.454
258 HG3 ARG 29 1HG ARG 29 -2.985 -1.666 -0.203
259 HD2 ARG 29 2HD ARG 29 -2.411 -0.260 -2.234
260 HD3 ARG 29 1HD ARG 29 -3.519 0.496 -1.096
261 HE ARG 29 HE ARG 29 -0.631 1.083 -0.942
262 HH11 ARG 29 1HH2 ARG 29 -3.912 2.061 -1.505
263 HH12 ARG 29 2HH2 ARG 29 -3.571 3.751 -1.348
264 HH21 ARG 29 1HH1 ARG 29 -0.194 3.288 -0.729
265 HH22 ARG 29 2HH1 ARG 29 -1.472 4.444 -0.908
266 H LYS 30 H LYS 30 -1.212 -2.854 4.115
267 HA LYS 30 HA LYS 30 -2.440 -1.342 6.158
268 HB2 LYS 30 2HB LYS 30 -4.550 -2.739 6.336
269 HB3 LYS 30 1HB LYS 30 -4.519 -1.564 5.022
270 HG2 LYS 30 2HG LYS 30 -5.006 -3.280 3.639
271 HG3 LYS 30 1HG LYS 30 -3.357 -3.842 3.913
272 HD2 LYS 30 2HD LYS 30 -4.056 -5.255 5.728
273 HD3 LYS 30 1HD LYS 30 -5.676 -4.557 5.719
274 HE2 LYS 30 2HE LYS 30 -5.598 -6.765 4.575
275 HE3 LYS 30 1HE LYS 30 -6.090 -5.463 3.490
276 HZ1 LYS 30 3HZ LYS 30 -3.658 -5.306 2.883
277 HZ2 LYS 30 1HZ LYS 30 -4.486 -6.676 2.322
278 HZ3 LYS 30 2HZ LYS 30 -3.457 -6.800 3.669
279 H THR 31 H THR 31 -2.139 -4.635 4.893
280 HA THR 31 HA THR 31 -2.028 -5.980 7.356
281 HB THR 31 HB THR 31 -0.299 -7.203 5.382
282 HG1 THR 31 1HG THR 31 -1.757 -5.674 4.159
283 HG21 THR 31 31HG THR 31 -3.028 -7.825 6.535
284 HG22 THR 31 1HG2 THR 31 -1.477 -8.486 7.053
285 HG23 THR 31 2HG2 THR 31 -2.141 -8.923 5.478
286 H CYS 32 H CYS 32 0.602 -4.808 5.263
287 HA CYS 32 HA CYS 32 2.669 -5.434 7.147
288 HB2 CYS 32 2HB CYS 32 2.637 -3.599 4.736
289 HB3 CYS 32 1HB CYS 32 4.082 -4.021 5.653
290 H GLY 33 H GLY 33 0.223 -3.373 7.455
291 HA2 GLY 33 2HA GLY 33 -0.176 -1.468 8.682
292 HA3 GLY 33 1HA GLY 33 1.287 -1.890 9.571
293 H THR 34 H THR 34 1.183 -1.254 6.117
294 HA THR 34 HA THR 34 3.178 0.840 6.450
295 HB THR 34 HB THR 34 3.416 -0.816 4.638
296 HG1 THR 34 1HG THR 34 2.821 1.742 3.584
297 HG21 THR 34 31HG THR 34 0.762 0.349 3.807
298 HG22 THR 34 1HG2 THR 34 1.195 -1.347 4.026
299 HG23 THR 34 2HG2 THR 34 1.824 -0.447 2.645
300 H CYS 35 H CYS 35 -0.189 0.664 6.322
301 HA CYS 35 HA CYS 35 -0.470 3.389 5.247
302 HB2 CYS 35 2HB CYS 35 -1.967 1.717 4.324
303 HB3 CYS 35 1HB CYS 35 -2.550 1.302 5.932
304 HN1 NH2 36 H2 NH2 36 -0.277 3.995 8.885
305 HN2 NH2 36 H1 NH2 36 0.778 3.468 7.664
Start of MODEL 2
1 HA PFX 0 HA PFX 0 -0.904 14.790 -4.484
2 H1N PFX 0 H1N PFX 0 -2.488 16.177 -5.114
3 H2N PFX 0 H2N PFX 0 -3.111 16.124 -3.534
4 H3N PFX 0 H3N PFX 0 -3.715 15.071 -4.722
5 H1B PFX 0 1HB PFX 0 -1.926 15.527 -2.087
6 H2B PFX 0 2HB PFX 0 -0.587 14.393 -2.253
7 HD1 PFX 0 HD1 PFX 0 -4.341 14.317 -2.473
8 HD2 PFX 0 HD2 PFX 0 -0.769 12.419 -1.040
9 HE1 PFX 0 HE1 PFX 0 -5.708 12.500 -1.420
10 HE2 PFX 0 HE2 PFX 0 -2.133 10.642 0.015
11 HNH PFX 0 HNH PFX 0 -3.079 13.748 -6.204
12 H11 PFX 0 1HNH PFX 0 -5.241 12.815 -5.520
13 H21 PFX 0 2HNH PFX 0 -4.357 11.736 -4.447
14 H12 PFX 0 1H2 PFX 0 -3.215 10.883 -6.630
15 H22 PFX 0 2H2 PFX 0 -4.580 11.644 -7.446
16 H14 PFX 0 1H4 PFX 0 -3.576 8.740 -6.772
17 H24 PFX 0 2H4 PFX 0 -4.969 7.980 -6.002
18 H15 PFX 0 1H5 PFX 0 -3.196 7.928 -4.392
19 H25 PFX 0 2H5 PFX 0 -4.308 9.193 -3.869
20 H17 PFX 0 1H7 PFX 0 -1.532 8.914 -3.129
21 H27 PFX 0 2H7 PFX 0 -0.602 10.185 -3.920
22 H ARG 1 H ARG 1 0.875 8.394 -3.714
23 HA ARG 1 HA ARG 1 1.422 6.314 -5.281
24 HB2 ARG 1 2HB ARG 1 0.966 6.438 -2.327
25 HB3 ARG 1 1HB ARG 1 1.237 4.861 -3.065
26 HG2 ARG 1 2HG ARG 1 3.144 6.786 -4.099
27 HG3 ARG 1 1HG ARG 1 3.194 6.762 -2.339
28 HD2 ARG 1 2HD ARG 1 4.668 5.059 -3.654
29 HD3 ARG 1 1HD ARG 1 3.767 4.496 -2.249
30 HE ARG 1 HE ARG 1 2.348 3.296 -3.685
31 HH11 ARG 1 1HH2 ARG 1 4.558 5.335 -5.395
32 HH12 ARG 1 2HH2 ARG 1 4.250 4.611 -6.937
33 HH21 ARG 1 1HH1 ARG 1 1.937 2.341 -5.704
34 HH22 ARG 1 2HH1 ARG 1 2.763 2.917 -7.113
35 H SER 2 H SER 2 -0.715 5.145 -2.806
36 HA SER 2 HA SER 2 -3.143 4.781 -3.820
37 HB2 SER 2 2HB SER 2 -2.644 4.052 -5.960
38 HB3 SER 2 1HB SER 2 -1.180 3.218 -5.449
39 HG SER 2 HG SER 2 -3.151 2.069 -4.174
40 H CYS 3 H CYS 3 -3.036 4.529 -1.450
41 HA CYS 3 HA CYS 3 -2.002 2.061 -0.370
42 HB2 CYS 3 2HB CYS 3 -2.095 4.211 0.910
43 HB3 CYS 3 1HB CYS 3 -3.851 4.059 0.940
44 H ILE 4 H ILE 4 -3.505 1.192 -2.290
45 HA ILE 4 HA ILE 4 -5.918 0.143 -0.960
46 HB ILE 4 HB ILE 4 -6.161 0.460 -3.870
47 HG12 ILE 4 2HG1 ILE 4 -4.870 2.553 -3.190
48 HG13 ILE 4 1HG1 ILE 4 -6.467 2.858 -3.880
49 HG21 ILE 4 1HG2 ILE 4 -8.037 -0.231 -2.500
50 HG22 ILE 4 2HG2 ILE 4 -8.378 1.389 -3.110
51 HG23 ILE 4 31HG ILE 4 -7.839 1.167 -1.450
52 HD11 ILE 4 3HD1 ILE 4 -7.224 3.770 -1.960
53 HD12 ILE 4 1HD1 ILE 4 -5.545 3.788 -1.420
54 HD13 ILE 4 2HD1 ILE 4 -6.592 2.435 -0.990
55 H ASP 5 H ASP 5 -6.371 -1.987 -1.370
56 HA ASP 5 HA ASP 5 -4.333 -3.460 -2.930
57 HB2 ASP 5 2HB ASP 5 -4.548 -5.261 -1.430
58 HB3 ASP 5 1HB ASP 5 -4.576 -3.834 -0.390
59 H THR 6 H THR 6 -5.012 -5.334 -4.100
60 HA THR 6 HA THR 6 -7.869 -5.289 -4.860
61 HB THR 6 HB THR 6 -7.052 -6.072 -7.130
62 HG1 THR 6 1HG THR 6 -4.906 -5.865 -7.560
63 HG21 THR 6 31HG THR 6 -5.842 -3.396 -6.500
64 HG22 THR 6 1HG2 THR 6 -7.582 -3.625 -6.330
65 HG23 THR 6 2HG2 THR 6 -6.806 -3.884 -7.900
66 H ILE 7 H ILE 7 -5.138 -7.108 -3.840
67 HA ILE 7 HA ILE 7 -6.484 -9.669 -4.400
68 HB ILE 7 HB ILE 7 -4.338 -10.706 -3.920
69 HG12 ILE 7 2HG1 ILE 7 -3.522 -7.886 -3.160
70 HG13 ILE 7 1HG1 ILE 7 -3.542 -9.307 -2.120
71 HG21 ILE 7 1HG2 ILE 7 -3.362 -10.101 -5.910
72 HG22 ILE 7 2HG2 ILE 7 -3.465 -8.376 -5.550
73 HG23 ILE 7 31HG ILE 7 -4.891 -9.246 -6.120
74 HD11 ILE 7 3HD1 ILE 7 -1.375 -9.595 -2.690
75 HD12 ILE 7 1HD1 ILE 7 -1.493 -8.427 -4.010
76 HD13 ILE 7 2HD1 ILE 7 -1.970 -10.104 -4.270
77 HA PRO 8 HA PRO 8 -7.671 -10.085 -0.180
78 HB2 PRO 8 2HB PRO 8 -7.689 -12.823 0.030
79 HB3 PRO 8 1HB PRO 8 -8.953 -11.893 -0.790
80 HG2 PRO 8 2HG PRO 8 -6.680 -13.428 -1.930
81 HG3 PRO 8 1HG PRO 8 -8.331 -13.225 -2.540
82 HD2 PRO 8 2HD PRO 8 -6.168 -11.856 -3.540
83 HD3 PRO 8 1HD PRO 8 -7.835 -11.245 -3.610
84 H LYS 9 H LYS 9 -6.490 -9.816 1.610
85 HA LYS 9 HA LYS 9 -3.883 -9.869 2.050
86 HB2 LYS 9 2HB LYS 9 -5.202 -11.304 4.250
87 HB3 LYS 9 1HB LYS 9 -4.332 -9.771 4.260
88 HG2 LYS 9 2HG LYS 9 -6.324 -8.689 3.200
89 HG3 LYS 9 1HG LYS 9 -7.192 -10.219 3.350
90 HD2 LYS 9 2HD LYS 9 -5.912 -9.410 5.850
91 HD3 LYS 9 1HD LYS 9 -7.075 -8.215 5.280
92 HE2 LYS 9 2HE LYS 9 -7.683 -11.175 5.490
93 HE3 LYS 9 1HE LYS 9 -8.081 -10.001 6.750
94 HZ1 LYS 9 3HZ LYS 9 -9.966 -10.320 5.320
95 HZ2 LYS 9 1HZ LYS 9 -9.046 -9.984 3.940
96 HZ3 LYS 9 2HZ LYS 9 -9.352 -8.755 5.070
97 H SER 10 H SER 10 -5.830 -12.763 1.720
98 HA SER 10 HA SER 10 -4.089 -14.703 2.700
99 HB2 SER 10 2HB SER 10 -6.466 -15.004 1.820
100 HB3 SER 10 1HB SER 10 -5.759 -15.053 0.210
101 HG SER 10 HG SER 10 -5.853 -16.966 2.100
102 H ARG 11 H ARG 11 -3.343 -12.470 0.400
103 HA ARG 11 HA ARG 11 -1.535 -14.292 -1.050
104 HB2 ARG 11 2HB ARG 11 -3.079 -11.912 -1.820
105 HB3 ARG 11 1HB ARG 11 -1.409 -11.906 -2.390
106 HG2 ARG 11 2HG ARG 11 -3.240 -14.291 -2.730
107 HG3 ARG 11 1HG ARG 11 -3.088 -13.023 -3.950
108 HD2 ARG 11 2HD ARG 11 -1.282 -14.098 -4.750
109 HD3 ARG 11 1HD ARG 11 -0.448 -13.703 -3.250
110 HE ARG 11 HE ARG 11 -2.055 -15.996 -2.840
111 HH11 ARG 11 1HH2 ARG 11 0.774 -14.907 -4.510
112 HH12 ARG 11 2HH2 ARG 11 1.552 -16.454 -4.480
113 HH21 ARG 11 1HH1 ARG 11 -1.043 -18.025 -2.800
114 HH22 ARG 11 2HH1 ARG 11 0.524 -18.220 -3.510
115 H CYS 12 H CYS 12 -1.522 -12.308 1.530
116 HA CYS 12 HA CYS 12 1.165 -11.218 1.000
117 HB2 CYS 12 2HB CYS 12 -1.133 -10.342 2.630
118 HB3 CYS 12 1HB CYS 12 0.449 -10.145 3.390
119 H THR 13 H THR 13 2.695 -12.632 1.570
120 HA THR 13 HA THR 13 2.356 -14.102 4.120
121 HB THR 13 HB THR 13 3.714 -15.831 3.250
122 HG1 THR 13 1HG THR 13 4.607 -13.781 1.630
123 HG21 THR 13 31HG THR 13 2.680 -16.306 0.980
124 HG22 THR 13 1HG2 THR 13 1.940 -14.708 1.060
125 HG23 THR 13 2HG2 THR 13 1.519 -15.933 2.260
126 H ALA 14 H ALA 14 4.332 -14.434 5.380
127 HA ALA 14 HA ALA 14 5.670 -12.040 5.960
128 HB1 ALA 14 1HB ALA 14 6.323 -14.914 6.620
129 HB2 ALA 14 2HB ALA 14 5.568 -13.710 7.660
130 HB3 ALA 14 3HB ALA 14 7.271 -13.559 7.230
131 H PHE 15 H PHE 15 5.975 -13.835 3.240
132 HA PHE 15 HA PHE 15 8.856 -13.301 2.920
133 HB2 PHE 15 2HB PHE 15 8.850 -15.380 2.060
134 HB3 PHE 15 1HB PHE 15 7.090 -15.442 2.080
135 HD1 PHE 15 2HD PHE 15 9.664 -13.453 0.190
136 HD2 PHE 15 1HD PHE 15 6.186 -15.968 0.010
137 HE1 PHE 15 2HE PHE 15 9.623 -13.228 -2.270
138 HE2 PHE 15 1HE PHE 15 6.147 -15.744 -2.450
139 HZ PHE 15 HZ PHE 15 7.865 -14.374 -3.590
140 H GLN 16 H GLN 16 5.695 -12.815 1.380
141 HA GLN 16 HA GLN 16 6.734 -11.241 -0.780
142 HB2 GLN 16 2HB GLN 16 3.997 -11.874 0.270
143 HB3 GLN 16 1HB GLN 16 4.203 -10.595 -0.910
144 HG2 GLN 16 2HG GLN 16 5.469 -13.285 -1.360
145 HG3 GLN 16 1HG GLN 16 3.762 -13.044 -1.730
146 HE21 GLN 16 1HE2 GLN 16 7.049 -12.079 -2.650
147 HE22 GLN 16 2HE2 GLN 16 6.605 -11.324 -4.100
148 H CYS 17 H CYS 17 4.840 -10.459 2.120
149 HA CYS 17 HA CYS 17 4.911 -7.644 1.830
150 HB2 CYS 17 2HB CYS 17 3.278 -8.550 3.280
151 HB3 CYS 17 1HB CYS 17 4.473 -9.490 4.170
152 H LYS 18 H LYS 18 7.490 -9.597 2.120
153 HA LYS 18 HA LYS 18 9.023 -7.577 3.640
154 HB2 LYS 18 2HB LYS 18 8.759 -9.659 4.950
155 HB3 LYS 18 1HB LYS 18 9.494 -10.567 3.630
156 HG2 LYS 18 2HG LYS 18 11.602 -9.660 3.990
157 HG3 LYS 18 1HG LYS 18 10.956 -8.197 4.740
158 HD2 LYS 18 2HD LYS 18 10.361 -10.732 6.160
159 HD3 LYS 18 1HD LYS 18 12.052 -10.229 6.170
160 HE2 LYS 18 2HE LYS 18 9.758 -8.403 6.930
161 HE3 LYS 18 1HE LYS 18 10.703 -9.324 8.100
162 HZ1 LYS 18 3HZ LYS 18 11.570 -7.088 7.840
163 HZ2 LYS 18 1HZ LYS 18 11.782 -7.330 6.000
164 HZ3 LYS 18 2HZ LYS 18 12.701 -8.229 7.000
165 H HIS 19 H HIS 19 9.067 -10.025 1.093
166 HA HIS 19 HA HIS 19 11.649 -9.041 0.132
167 HB2 HIS 19 2HB HIS 19 9.897 -11.273 -0.910
168 HB3 HIS 19 1HB HIS 19 11.542 -10.913 -1.440
169 HD1 HIS 19 1HD HIS 19 9.856 -11.443 1.953
170 HD2 HIS 19 2HD HIS 19 13.307 -12.551 -0.100
171 HE1 HIS 19 1HE HIS 19 11.175 -12.930 3.519
172 HE2 HIS 19 2HE HIS 19 13.287 -13.608 2.283
173 H SER 20 H SER 20 8.265 -8.757 -0.550
174 HA SER 20 HA SER 20 8.859 -7.453 -3.130
175 HB2 SER 20 2HB SER 20 6.576 -7.859 -3.740
176 HB3 SER 20 1HB SER 20 7.209 -9.361 -3.070
177 HG SER 20 HG SER 20 5.744 -9.223 -1.590
178 H NLE 21 H NLE 21 8.921 -5.317 -3.130
179 HA NLE 21 HA NLE 21 7.986 -3.753 -0.910
180 HB2 NLE 21 1HB NLE 21 8.617 -1.828 -2.500
181 HB3 NLE 21 2HB NLE 21 9.202 -3.087 -3.580
182 HG2 NLE 21 1HG NLE 21 10.872 -3.778 -2.080
183 HG3 NLE 21 2HG NLE 21 10.055 -3.054 -0.700
184 HD2 NLE 21 1HD NLE 21 10.502 -0.793 -1.700
185 HD3 NLE 21 2HD NLE 21 11.453 -1.589 -2.960
186 HE1 NLE 21 3HE NLE 21 12.388 -0.742 -0.460
187 HE2 NLE 21 1HE NLE 21 13.224 -1.826 -1.570
188 HE3 NLE 21 2HE NLE 21 12.215 -2.488 -0.290
189 H LYS 22 H LYS 22 6.927 -4.308 -4.240
190 HA LYS 22 HA LYS 22 4.827 -2.440 -4.320
191 HB2 LYS 22 2HB LYS 22 3.863 -4.254 -5.990
192 HB3 LYS 22 1HB LYS 22 5.289 -3.307 -6.410
193 HG2 LYS 22 2HG LYS 22 6.655 -5.113 -6.330
194 HG3 LYS 22 1HG LYS 22 5.906 -5.723 -4.850
195 HD2 LYS 22 2HD LYS 22 4.203 -6.835 -6.020
196 HD3 LYS 22 1HD LYS 22 4.450 -5.878 -7.480
197 HE2 LYS 22 2HE LYS 22 6.254 -8.039 -6.370
198 HE3 LYS 22 1HE LYS 22 5.403 -8.039 -7.910
199 HZ1 LYS 22 3HZ LYS 22 7.889 -6.771 -7.180
200 HZ2 LYS 22 1HZ LYS 22 6.833 -5.766 -8.050
201 HZ3 LYS 22 2HZ LYS 22 7.323 -7.254 -8.710
202 H TYR 23 H TYR 23 5.140 -4.633 -2.040
203 HA TYR 23 HA TYR 23 2.288 -5.374 -1.950
204 HB2 TYR 23 2HB TYR 23 4.783 -6.634 -0.960
205 HB3 TYR 23 1HB TYR 23 3.357 -6.787 0.067
206 HD1 TYR 23 1HD TYR 23 3.985 -6.797 -3.630
207 HD2 TYR 23 2HD TYR 23 2.211 -8.785 -0.260
208 HE1 TYR 23 1HE TYR 23 3.082 -8.545 -5.140
209 HE2 TYR 23 2HE TYR 23 1.308 -10.535 -1.770
210 HH TYR 23 HH TYR 23 1.233 -11.308 -3.850
211 H ARG 24 H ARG 24 4.930 -4.074 0.031
212 HA ARG 24 HA ARG 24 3.203 -3.357 2.213
213 HB2 ARG 24 2HB ARG 24 5.948 -2.232 1.696
214 HB3 ARG 24 1HB ARG 24 5.138 -2.465 3.241
215 HG2 ARG 24 2HG ARG 24 5.523 -4.756 3.265
216 HG3 ARG 24 1HG ARG 24 5.633 -4.865 1.510
217 HD2 ARG 24 2HD ARG 24 7.706 -3.848 3.448
218 HD3 ARG 24 1HD ARG 24 7.859 -5.140 2.262
219 HE ARG 24 HE ARG 24 7.467 -3.118 0.617
220 HH11 ARG 24 1HH2 ARG 24 9.290 -3.243 3.550
221 HH12 ARG 24 2HH2 ARG 24 10.396 -1.994 3.081
222 HH21 ARG 24 1HH1 ARG 24 8.907 -1.473 -0.000
223 HH22 ARG 24 2HH1 ARG 24 10.176 -0.987 1.068
224 H LEU 25 H LEU 25 3.558 -2.026 -0.830
225 HA LEU 25 HA LEU 25 2.397 0.500 0.103
226 HB2 LEU 25 2HB LEU 25 3.904 1.803 -1.390
227 HB3 LEU 25 1HB LEU 25 4.742 1.042 -0.040
228 HG LEU 25 HG LEU 25 4.758 -0.891 -2.070
229 HD11 LEU 25 1HD1 LEU 25 4.099 1.095 -3.550
230 HD12 LEU 25 2HD1 LEU 25 5.529 0.190 -4.040
231 HD13 LEU 25 3HD1 LEU 25 5.707 1.738 -3.220
232 HD21 LEU 25 31HD LEU 25 6.617 -0.673 -0.620
233 HD22 LEU 25 1HD2 LEU 25 6.790 1.049 -0.960
234 HD23 LEU 25 2HD2 LEU 25 7.235 -0.144 -2.180
235 H SER 26 H SER 26 1.473 -1.906 -1.450
236 HA SER 26 HA SER 26 0.143 -0.386 -3.550
237 HB2 SER 26 2HB SER 26 2.385 -1.960 -4.210
238 HB3 SER 26 1HB SER 26 0.976 -2.885 -4.710
239 HG SER 26 HG SER 26 1.812 -0.304 -5.480
240 H PHE 27 H PHE 27 0.695 -3.787 -2.650
241 HA PHE 27 HA PHE 27 -2.218 -4.218 -2.730
242 HB2 PHE 27 2HB PHE 27 -0.031 -6.283 -2.410
243 HB3 PHE 27 1HB PHE 27 -1.719 -6.564 -2.840
244 HD1 PHE 27 2HD PHE 27 -2.546 -5.082 -4.930
245 HD2 PHE 27 1HD PHE 27 1.513 -6.243 -4.150
246 HE1 PHE 27 2HE PHE 27 -1.995 -4.762 -7.330
247 HE2 PHE 27 1HE PHE 27 2.066 -5.916 -6.550
248 HZ PHE 27 HZ PHE 27 0.311 -5.180 -8.140
249 H CYS 28 H CYS 28 0.572 -4.916 -0.630
250 HA CYS 28 HA CYS 28 -1.197 -5.366 1.656
251 HB2 CYS 28 2HB CYS 28 1.397 -6.249 0.889
252 HB3 CYS 28 1HB CYS 28 1.575 -5.311 2.371
253 H ARG 29 H ARG 29 -1.182 -2.769 0.455
254 HA ARG 29 HA ARG 29 0.474 -0.986 1.936
255 HB2 ARG 29 2HB ARG 29 -1.508 0.622 1.135
256 HB3 ARG 29 1HB ARG 29 -0.190 0.129 0.083
257 HG2 ARG 29 2HG ARG 29 -2.389 -0.162 -1.010
258 HG3 ARG 29 1HG ARG 29 -1.573 -1.706 -0.800
259 HD2 ARG 29 2HD ARG 29 -4.098 -1.457 -0.120
260 HD3 ARG 29 1HD ARG 29 -3.004 -2.379 0.903
261 HE ARG 29 HE ARG 29 -2.755 -0.049 2.070
262 HH11 ARG 29 1HH2 ARG 29 -5.605 -1.436 0.683
263 HH12 ARG 29 2HH2 ARG 29 -6.687 -0.590 1.739
264 HH21 ARG 29 1HH1 ARG 29 -4.146 1.050 3.447
265 HH22 ARG 29 2HH1 ARG 29 -5.859 0.824 3.308
266 H LYS 30 H LYS 30 -1.124 -2.897 3.543
267 HA LYS 30 HA LYS 30 -2.044 -1.011 5.524
268 HB2 LYS 30 2HB LYS 30 -4.346 -2.153 5.612
269 HB3 LYS 30 1HB LYS 30 -4.072 -0.969 4.334
270 HG2 LYS 30 2HG LYS 30 -4.484 -2.533 2.770
271 HG3 LYS 30 1HG LYS 30 -3.173 -3.527 3.402
272 HD2 LYS 30 2HD LYS 30 -4.683 -4.503 5.069
273 HD3 LYS 30 1HD LYS 30 -5.998 -3.474 4.500
274 HE2 LYS 30 2HE LYS 30 -6.274 -5.638 3.471
275 HE3 LYS 30 1HE LYS 30 -5.721 -4.521 2.223
276 HZ1 LYS 30 3HZ LYS 30 -4.171 -6.070 1.858
277 HZ2 LYS 30 1HZ LYS 30 -4.391 -6.811 3.368
278 HZ3 LYS 30 2HZ LYS 30 -3.407 -5.433 3.235
279 H THR 31 H THR 31 -2.197 -4.399 4.476
280 HA THR 31 HA THR 31 -2.538 -5.616 6.948
281 HB THR 31 HB THR 31 -0.724 -7.208 5.422
282 HG1 THR 31 1HG THR 31 -1.205 -5.747 3.734
283 HG21 THR 31 31HG THR 31 -3.749 -7.292 5.591
284 HG22 THR 31 1HG2 THR 31 -2.663 -7.952 6.814
285 HG23 THR 31 2HG2 THR 31 -2.680 -8.637 5.189
286 H CYS 32 H CYS 32 0.551 -4.968 5.286
287 HA CYS 32 HA CYS 32 2.181 -5.785 7.458
288 HB2 CYS 32 2HB CYS 32 2.903 -3.796 5.295
289 HB3 CYS 32 1HB CYS 32 4.003 -4.803 6.235
290 H GLY 33 H GLY 33 -0.035 -3.715 7.913
291 HA2 GLY 33 2HA GLY 33 -0.351 -1.762 9.116
292 HA3 GLY 33 1HA GLY 33 1.036 -2.329 10.040
293 H THR 34 H THR 34 1.167 -1.617 6.651
294 HA THR 34 HA THR 34 3.353 0.206 7.018
295 HB THR 34 HB THR 34 3.577 -1.021 5.048
296 HG1 THR 34 1HG THR 34 3.884 1.173 4.627
297 HG21 THR 34 31HG THR 34 1.199 -1.850 5.024
298 HG22 THR 34 1HG2 THR 34 1.840 -1.442 3.445
299 HG23 THR 34 2HG2 THR 34 0.732 -0.335 4.254
300 H CYS 35 H CYS 35 0.069 0.614 5.651
301 HA CYS 35 HA CYS 35 0.289 3.456 5.495
302 HB2 CYS 35 2HB CYS 35 -1.779 1.426 5.009
303 HB3 CYS 35 1HB CYS 35 -2.405 2.974 5.574
304 HN1 NH2 36 H2 NH2 36 -0.556 2.700 9.282
305 HN2 NH2 36 H1 NH2 36 0.265 1.639 8.243
Start of MODEL 3
1 HA PFX 0 HA PFX 0 -13.207 9.307 -5.046
2 H1N PFX 0 H1N PFX 0 -13.694 12.045 -5.888
3 H2N PFX 0 H2N PFX 0 -14.368 11.164 -4.601
4 H3N PFX 0 H3N PFX 0 -14.949 10.943 -6.182
5 H1B PFX 0 1HB PFX 0 -12.416 8.991 -7.559
6 H2B PFX 0 2HB PFX 0 -13.718 10.139 -7.878
7 HD1 PFX 0 HD1 PFX 0 -12.923 6.722 -7.399
8 HD2 PFX 0 HD2 PFX 0 -16.003 9.616 -6.653
9 HE1 PFX 0 HE1 PFX 0 -14.580 4.896 -7.166
10 HE2 PFX 0 HE2 PFX 0 -17.662 7.792 -6.419
11 HNH PFX 0 HNH PFX 0 -10.566 10.683 -4.125
12 H11 PFX 0 1HNH PFX 0 -10.961 8.256 -5.776
13 H21 PFX 0 2HNH PFX 0 -10.781 8.223 -4.024
14 H12 PFX 0 1H2 PFX 0 -8.548 9.601 -5.257
15 H22 PFX 0 2H2 PFX 0 -8.734 7.984 -5.933
16 H14 PFX 0 1H4 PFX 0 -6.616 8.089 -2.782
17 H24 PFX 0 2H4 PFX 0 -6.841 9.445 -3.886
18 H15 PFX 0 1H5 PFX 0 -6.843 7.011 -5.410
19 H25 PFX 0 2H5 PFX 0 -5.424 7.020 -4.365
20 H17 PFX 0 1H7 PFX 0 -4.581 9.367 -4.029
21 H27 PFX 0 2H7 PFX 0 -4.144 10.149 -5.548
22 H ARG 1 H ARG 1 -3.299 8.015 -3.228
23 HA ARG 1 HA ARG 1 -0.696 8.335 -4.485
24 HB2 ARG 1 2HB ARG 1 -1.644 7.837 -1.675
25 HB3 ARG 1 1HB ARG 1 0.055 7.646 -2.104
26 HG2 ARG 1 2HG ARG 1 -0.922 10.107 -3.229
27 HG3 ARG 1 1HG ARG 1 -1.325 10.059 -1.512
28 HD2 ARG 1 2HD ARG 1 1.418 9.659 -2.734
29 HD3 ARG 1 1HD ARG 1 0.887 11.035 -1.774
30 HE ARG 1 HE ARG 1 0.719 9.499 0.141
31 HH11 ARG 1 1HH2 ARG 1 2.469 8.442 -2.668
32 HH12 ARG 1 2HH2 ARG 1 3.399 7.268 -1.804
33 HH21 ARG 1 1HH1 ARG 1 1.942 7.961 1.261
34 HH22 ARG 1 2HH1 ARG 1 3.107 6.998 0.414
35 H SER 2 H SER 2 -1.242 5.883 -2.067
36 HA SER 2 HA SER 2 -1.050 3.706 -3.998
37 HB2 SER 2 2HB SER 2 1.212 4.633 -2.329
38 HB3 SER 2 1HB SER 2 0.929 2.894 -2.340
39 HG SER 2 HG SER 2 0.822 4.258 -4.772
40 H CYS 3 H CYS 3 -2.752 4.813 -1.665
41 HA CYS 3 HA CYS 3 -2.679 2.494 0.130
42 HB2 CYS 3 2HB CYS 3 -3.093 5.149 0.646
43 HB3 CYS 3 1HB CYS 3 -4.743 4.531 0.593
44 H ILE 4 H ILE 4 -3.409 1.073 -1.601
45 HA ILE 4 HA ILE 4 -6.277 0.729 -1.500
46 HB ILE 4 HB ILE 4 -5.902 0.446 -4.222
47 HG12 ILE 4 2HG1 ILE 4 -4.744 3.135 -3.480
48 HG13 ILE 4 1HG1 ILE 4 -3.698 1.740 -3.752
49 HG21 ILE 4 1HG2 ILE 4 -7.126 2.773 -4.196
50 HG22 ILE 4 2HG2 ILE 4 -7.114 2.548 -2.447
51 HG23 ILE 4 31HG ILE 4 -7.918 1.368 -3.484
52 HD11 ILE 4 3HD1 ILE 4 -4.733 1.434 -5.994
53 HD12 ILE 4 1HD1 ILE 4 -3.947 3.006 -5.835
54 HD13 ILE 4 2HD1 ILE 4 -5.702 2.882 -5.721
55 H ASP 5 H ASP 5 -6.738 -1.408 -1.496
56 HA ASP 5 HA ASP 5 -4.547 -3.248 -2.229
57 HB2 ASP 5 2HB ASP 5 -6.081 -4.817 -0.739
58 HB3 ASP 5 1HB ASP 5 -4.900 -3.726 -0.018
59 H THR 6 H THR 6 -4.978 -5.129 -3.366
60 HA THR 6 HA THR 6 -7.633 -5.748 -4.314
61 HB THR 6 HB THR 6 -7.029 -5.498 -6.724
62 HG1 THR 6 1HG THR 6 -4.898 -5.359 -6.835
63 HG21 THR 6 31HG THR 6 -8.300 -3.754 -5.376
64 HG22 THR 6 1HG2 THR 6 -7.496 -3.151 -6.826
65 HG23 THR 6 2HG2 THR 6 -6.776 -2.874 -5.239
66 H ILE 7 H ILE 7 -5.483 -7.035 -2.839
67 HA ILE 7 HA ILE 7 -4.883 -9.258 -4.690
68 HB ILE 7 HB ILE 7 -3.000 -7.700 -3.597
69 HG12 ILE 7 2HG1 ILE 7 -3.049 -10.608 -4.297
70 HG13 ILE 7 1HG1 ILE 7 -2.244 -9.273 -5.118
71 HG21 ILE 7 1HG2 ILE 7 -2.067 -8.744 -1.584
72 HG22 ILE 7 2HG2 ILE 7 -3.337 -9.959 -1.597
73 HG23 ILE 7 31HG ILE 7 -3.734 -8.269 -1.279
74 HD11 ILE 7 3HD1 ILE 7 -0.489 -10.499 -4.102
75 HD12 ILE 7 1HD1 ILE 7 -1.390 -10.704 -2.602
76 HD13 ILE 7 2HD1 ILE 7 -0.746 -9.120 -3.034
77 HA PRO 8 HA PRO 8 -7.640 -11.605 -2.028
78 HB2 PRO 8 2HB PRO 8 -5.736 -13.787 -2.755
79 HB3 PRO 8 1HB PRO 8 -7.507 -13.760 -2.841
80 HG2 PRO 8 2HG PRO 8 -5.883 -13.474 -4.999
81 HG3 PRO 8 1HG PRO 8 -7.521 -12.812 -4.899
82 HD2 PRO 8 2HD PRO 8 -4.960 -11.407 -4.922
83 HD3 PRO 8 1HD PRO 8 -6.594 -10.749 -5.133
84 H LYS 9 H LYS 9 -6.987 -10.658 -0.042
85 HA LYS 9 HA LYS 9 -4.865 -10.511 1.453
86 HB2 LYS 9 2HB LYS 9 -7.380 -11.890 2.412
87 HB3 LYS 9 1HB LYS 9 -6.131 -11.234 3.471
88 HG2 LYS 9 2HG LYS 9 -6.997 -9.166 3.275
89 HG3 LYS 9 1HG LYS 9 -6.867 -9.246 1.517
90 HD2 LYS 9 2HD LYS 9 -9.015 -10.425 1.389
91 HD3 LYS 9 1HD LYS 9 -9.142 -10.414 3.148
92 HE2 LYS 9 2HE LYS 9 -8.662 -7.746 2.495
93 HE3 LYS 9 1HE LYS 9 -9.769 -8.299 1.239
94 HZ1 LYS 9 3HZ LYS 9 -11.017 -7.509 3.110
95 HZ2 LYS 9 1HZ LYS 9 -10.168 -8.525 4.172
96 HZ3 LYS 9 2HZ LYS 9 -11.205 -9.194 3.004
97 H SER 10 H SER 10 -6.359 -13.660 0.799
98 HA SER 10 HA SER 10 -4.556 -15.186 2.378
99 HB2 SER 10 2HB SER 10 -6.575 -16.263 1.834
100 HB3 SER 10 1HB SER 10 -6.445 -15.842 0.128
101 HG SER 10 HG SER 10 -5.397 -17.952 1.512
102 H ARG 11 H ARG 11 -3.337 -13.227 0.499
103 HA ARG 11 HA ARG 11 -1.516 -15.100 -0.887
104 HB2 ARG 11 2HB ARG 11 -2.884 -12.646 -1.912
105 HB3 ARG 11 1HB ARG 11 -1.275 -13.031 -2.511
106 HG2 ARG 11 2HG ARG 11 -3.288 -15.241 -2.408
107 HG3 ARG 11 1HG ARG 11 -3.490 -14.020 -3.659
108 HD2 ARG 11 2HD ARG 11 -0.759 -14.645 -3.753
109 HD3 ARG 11 1HD ARG 11 -1.553 -16.193 -3.495
110 HE ARG 11 HE ARG 11 -2.436 -16.036 -5.635
111 HH11 ARG 11 1HH2 ARG 11 -1.258 -12.972 -4.538
112 HH12 ARG 11 2HH2 ARG 11 -1.477 -12.185 -6.066
113 HH21 ARG 11 1HH1 ARG 11 -2.738 -15.005 -7.641
114 HH22 ARG 11 2HH1 ARG 11 -2.319 -13.334 -7.820
115 H CYS 12 H CYS 12 -1.974 -12.220 1.005
116 HA CYS 12 HA CYS 12 0.736 -11.273 0.789
117 HB2 CYS 12 2HB CYS 12 -1.259 -9.828 1.338
118 HB3 CYS 12 1HB CYS 12 -1.300 -10.600 2.922
119 H THR 13 H THR 13 2.228 -12.745 1.441
120 HA THR 13 HA THR 13 1.894 -13.966 4.109
121 HB THR 13 HB THR 13 3.222 -15.734 3.409
122 HG1 THR 13 1HG THR 13 4.879 -15.504 2.077
123 HG21 THR 13 31HG THR 13 2.395 -15.049 0.634
124 HG22 THR 13 1HG2 THR 13 1.120 -15.120 1.851
125 HG23 THR 13 2HG2 THR 13 2.134 -16.532 1.552
126 H ALA 14 H ALA 14 3.606 -13.898 5.619
127 HA ALA 14 HA ALA 14 4.890 -11.464 5.969
128 HB1 ALA 14 1HB ALA 14 6.197 -13.964 6.976
129 HB2 ALA 14 2HB ALA 14 4.593 -13.537 7.573
130 HB3 ALA 14 3HB ALA 14 5.943 -12.425 7.799
131 H PHE 15 H PHE 15 5.544 -13.832 3.688
132 HA PHE 15 HA PHE 15 8.388 -13.202 3.441
133 HB2 PHE 15 2HB PHE 15 8.425 -15.343 2.764
134 HB3 PHE 15 1HB PHE 15 6.666 -15.405 2.707
135 HD1 PHE 15 1HD PHE 15 9.428 -13.749 0.765
136 HD2 PHE 15 2HD PHE 15 5.768 -15.993 0.643
137 HE1 PHE 15 1HE PHE 15 9.521 -13.763 -1.712
138 HE2 PHE 15 2HE PHE 15 5.860 -16.006 -1.836
139 HZ PHE 15 HZ PHE 15 7.736 -14.892 -3.014
140 H GLN 16 H GLN 16 5.326 -12.692 1.767
141 HA GLN 16 HA GLN 16 6.535 -11.389 -0.502
142 HB2 GLN 16 2HB GLN 16 4.097 -12.581 0.008
143 HB3 GLN 16 1HB GLN 16 3.696 -10.865 0.002
144 HG2 GLN 16 2HG GLN 16 3.520 -11.891 -2.252
145 HG3 GLN 16 1HG GLN 16 4.712 -10.597 -2.193
146 HE21 GLN 16 1HE2 GLN 16 4.343 -14.135 -2.305
147 HE22 GLN 16 2HE2 GLN 16 5.928 -14.447 -2.826
148 H CYS 17 H CYS 17 5.045 -10.431 2.531
149 HA CYS 17 HA CYS 17 4.978 -7.624 1.872
150 HB2 CYS 17 2HB CYS 17 3.566 -9.043 3.620
151 HB3 CYS 17 1HB CYS 17 4.879 -8.569 4.697
152 H LYS 18 H LYS 18 7.583 -9.166 1.799
153 HA LYS 18 HA LYS 18 9.134 -7.158 3.261
154 HB2 LYS 18 2HB LYS 18 9.072 -8.906 4.895
155 HB3 LYS 18 1HB LYS 18 9.412 -10.138 3.679
156 HG2 LYS 18 2HG LYS 18 11.647 -9.634 3.592
157 HG3 LYS 18 1HG LYS 18 11.377 -7.917 3.889
158 HD2 LYS 18 2HD LYS 18 10.854 -8.435 6.266
159 HD3 LYS 18 1HD LYS 18 11.227 -10.133 5.954
160 HE2 LYS 18 2HE LYS 18 13.216 -7.951 5.329
161 HE3 LYS 18 1HE LYS 18 13.114 -8.665 6.938
162 HZ1 LYS 18 3HZ LYS 18 14.595 -10.077 5.997
163 HZ2 LYS 18 1HZ LYS 18 14.000 -9.856 4.424
164 HZ3 LYS 18 2HZ LYS 18 13.170 -10.865 5.510
165 H HIS 19 H HIS 19 9.012 -9.809 0.950
166 HA HIS 19 HA HIS 19 11.632 -9.181 -0.134
167 HB2 HIS 19 2HB HIS 19 9.502 -11.099 -1.111
168 HB3 HIS 19 1HB HIS 19 11.154 -10.996 -1.719
169 HD1 HIS 19 1HD HIS 19 10.038 -10.873 1.920
170 HD2 HIS 19 2HD HIS 19 12.260 -13.309 -0.632
171 HE1 HIS 19 1HE HIS 19 11.071 -12.670 3.369
172 HE2 HIS 19 2HE HIS 19 12.433 -14.162 1.830
173 H SER 20 H SER 20 8.234 -8.852 -1.089
174 HA SER 20 HA SER 20 9.076 -7.254 -3.421
175 HB2 SER 20 2HB SER 20 7.276 -9.278 -3.329
176 HB3 SER 20 1HB SER 20 6.213 -7.903 -3.042
177 HG SER 20 HG SER 20 7.261 -8.716 -5.330
178 H NLE 21 H NLE 21 9.053 -5.114 -3.195
179 HA NLE 21 HA NLE 21 7.959 -3.778 -0.946
180 HB2 NLE 21 1HB NLE 21 8.229 -1.861 -2.954
181 HB3 NLE 21 2HB NLE 21 9.444 -3.076 -3.352
182 HG2 NLE 21 1HG NLE 21 9.124 -1.977 -0.552
183 HG3 NLE 21 2HG NLE 21 10.170 -1.211 -1.746
184 HD2 NLE 21 1HD NLE 21 10.481 -4.148 -1.422
185 HD3 NLE 21 2HD NLE 21 11.029 -3.155 -0.072
186 HE1 NLE 21 3HE NLE 21 12.717 -2.185 -1.301
187 HE2 NLE 21 1HE NLE 21 11.807 -2.267 -2.809
188 HE3 NLE 21 2HE NLE 21 12.605 -3.709 -2.182
189 H LYS 22 H LYS 22 6.810 -4.281 -4.241
190 HA LYS 22 HA LYS 22 4.616 -2.560 -4.277
191 HB2 LYS 22 2HB LYS 22 3.676 -4.423 -5.853
192 HB3 LYS 22 1HB LYS 22 5.114 -3.520 -6.330
193 HG2 LYS 22 2HG LYS 22 6.486 -5.320 -6.100
194 HG3 LYS 22 1HG LYS 22 5.664 -5.879 -4.645
195 HD2 LYS 22 2HD LYS 22 5.176 -7.550 -6.230
196 HD3 LYS 22 1HD LYS 22 3.729 -6.540 -6.239
197 HE2 LYS 22 2HE LYS 22 4.372 -6.969 -8.539
198 HE3 LYS 22 1HE LYS 22 4.705 -5.275 -8.180
199 HZ1 LYS 22 3HZ LYS 22 6.760 -7.384 -7.883
200 HZ2 LYS 22 1HZ LYS 22 6.983 -5.704 -7.962
201 HZ3 LYS 22 2HZ LYS 22 6.515 -6.564 -9.350
202 H TYR 23 H TYR 23 5.098 -4.768 -1.961
203 HA TYR 23 HA TYR 23 2.258 -5.537 -1.783
204 HB2 TYR 23 2HB TYR 23 4.786 -6.751 -0.783
205 HB3 TYR 23 1HB TYR 23 3.337 -6.951 0.203
206 HD1 TYR 23 2HD TYR 23 3.905 -6.810 -3.503
207 HD2 TYR 23 1HD TYR 23 2.410 -9.067 -0.172
208 HE1 TYR 23 2HE TYR 23 3.080 -8.556 -5.057
209 HE2 TYR 23 1HE TYR 23 1.578 -10.810 -1.724
210 HH TYR 23 HH TYR 23 2.296 -11.578 -4.178
211 H ARG 24 H ARG 24 4.918 -4.122 0.109
212 HA ARG 24 HA ARG 24 3.108 -3.350 2.251
213 HB2 ARG 24 2HB ARG 24 5.924 -2.356 1.952
214 HB3 ARG 24 1HB ARG 24 5.010 -2.667 3.426
215 HG2 ARG 24 2HG ARG 24 6.181 -4.618 3.478
216 HG3 ARG 24 1HG ARG 24 5.001 -5.149 2.282
217 HD2 ARG 24 2HD ARG 24 7.466 -5.493 1.674
218 HD3 ARG 24 1HD ARG 24 6.470 -4.685 0.469
219 HE ARG 24 HE ARG 24 7.633 -2.690 0.893
220 HH11 ARG 24 1HH2 ARG 24 8.488 -5.219 3.098
221 HH12 ARG 24 2HH2 ARG 24 9.863 -4.382 3.738
222 HH21 ARG 24 1HH1 ARG 24 9.431 -1.590 1.727
223 HH22 ARG 24 2HH1 ARG 24 10.397 -2.327 2.961
224 H LEU 25 H LEU 25 3.307 -2.240 -0.743
225 HA LEU 25 HA LEU 25 2.763 0.532 0.090
226 HB2 LEU 25 2HB LEU 25 4.391 -0.050 -2.375
227 HB3 LEU 25 1HB LEU 25 4.166 1.489 -1.545
228 HG LEU 25 HG LEU 25 5.502 -0.871 -0.213
229 HD11 LEU 25 1HD1 LEU 25 6.691 -0.193 -2.329
230 HD12 LEU 25 2HD1 LEU 25 7.644 0.052 -0.866
231 HD13 LEU 25 3HD1 LEU 25 6.864 1.425 -1.651
232 HD21 LEU 25 31HD LEU 25 4.589 1.619 0.701
233 HD22 LEU 25 1HD2 LEU 25 6.328 1.834 0.500
234 HD23 LEU 25 2HD2 LEU 25 5.712 0.549 1.541
235 H SER 26 H SER 26 1.378 -2.052 -1.228
236 HA SER 26 HA SER 26 -0.453 -0.445 -2.785
237 HB2 SER 26 2HB SER 26 1.326 -2.471 -4.116
238 HB3 SER 26 1HB SER 26 -0.195 -1.919 -4.807
239 HG SER 26 HG SER 26 2.004 -0.287 -4.046
240 H PHE 27 H PHE 27 0.556 -3.845 -2.402
241 HA PHE 27 HA PHE 27 -2.252 -4.621 -2.326
242 HB2 PHE 27 2HB PHE 27 0.249 -6.313 -2.183
243 HB3 PHE 27 1HB PHE 27 -1.395 -6.894 -2.409
244 HD1 PHE 27 2HD PHE 27 -2.699 -5.378 -4.319
245 HD2 PHE 27 1HD PHE 27 1.505 -6.233 -4.143
246 HE1 PHE 27 2HE PHE 27 -2.520 -4.987 -6.759
247 HE2 PHE 27 1HE PHE 27 1.684 -5.837 -6.585
248 HZ PHE 27 HZ PHE 27 -0.327 -5.215 -7.892
249 H CYS 28 H CYS 28 0.619 -5.151 -0.268
250 HA CYS 28 HA CYS 28 -1.169 -5.679 1.981
251 HB2 CYS 28 2HB CYS 28 1.856 -5.767 1.918
252 HB3 CYS 28 1HB CYS 28 0.806 -6.399 3.186
253 H ARG 29 H ARG 29 -1.182 -3.125 0.841
254 HA ARG 29 HA ARG 29 0.432 -1.229 2.124
255 HB2 ARG 29 2HB ARG 29 -1.499 0.327 1.540
256 HB3 ARG 29 1HB ARG 29 -0.757 -0.552 0.201
257 HG2 ARG 29 2HG ARG 29 -2.711 -1.562 -0.273
258 HG3 ARG 29 1HG ARG 29 -2.836 -2.171 1.376
259 HD2 ARG 29 2HD ARG 29 -3.695 0.550 0.389
260 HD3 ARG 29 1HD ARG 29 -4.758 -0.761 0.894
261 HE ARG 29 HE ARG 29 -2.926 -0.081 2.973
262 HH11 ARG 29 1HH2 ARG 29 -5.787 0.958 1.327
263 HH12 ARG 29 2HH2 ARG 29 -6.404 1.848 2.680
264 HH21 ARG 29 1HH1 ARG 29 -3.723 1.076 4.743
265 HH22 ARG 29 2HH1 ARG 29 -5.234 1.915 4.617
266 H LYS 30 H LYS 30 -1.348 -3.346 3.723
267 HA LYS 30 HA LYS 30 -1.926 -1.452 5.904
268 HB2 LYS 30 2HB LYS 30 -4.050 -2.680 6.356
269 HB3 LYS 30 1HB LYS 30 -4.070 -1.807 4.824
270 HG2 LYS 30 2HG LYS 30 -3.347 -3.961 3.704
271 HG3 LYS 30 1HG LYS 30 -3.629 -4.773 5.243
272 HD2 LYS 30 2HD LYS 30 -5.960 -3.399 4.985
273 HD3 LYS 30 1HD LYS 30 -5.578 -3.702 3.288
274 HE2 LYS 30 2HE LYS 30 -5.832 -5.765 5.494
275 HE3 LYS 30 1HE LYS 30 -6.885 -5.572 4.093
276 HZ1 LYS 30 3HZ LYS 30 -5.461 -6.651 2.781
277 HZ2 LYS 30 1HZ LYS 30 -4.758 -7.222 4.215
278 HZ3 LYS 30 2HZ LYS 30 -4.101 -5.867 3.430
279 H THR 31 H THR 31 -1.702 -4.812 4.879
280 HA THR 31 HA THR 31 -1.573 -6.136 7.290
281 HB THR 31 HB THR 31 0.474 -7.043 5.390
282 HG1 THR 31 1HG THR 31 -2.229 -6.865 4.564
283 HG21 THR 31 31HG THR 31 -0.859 -9.115 5.567
284 HG22 THR 31 1HG2 THR 31 -2.097 -8.233 6.462
285 HG23 THR 31 2HG2 THR 31 -0.493 -8.449 7.160
286 H CYS 32 H CYS 32 1.196 -4.822 5.474
287 HA CYS 32 HA CYS 32 2.993 -5.158 7.707
288 HB2 CYS 32 2HB CYS 32 3.177 -4.027 4.942
289 HB3 CYS 32 1HB CYS 32 4.405 -3.575 6.123
290 H GLY 33 H GLY 33 0.490 -3.445 7.858
291 HA2 GLY 33 2HA GLY 33 -0.158 -1.322 8.554
292 HA3 GLY 33 1HA GLY 33 1.145 -1.587 9.713
293 H THR 34 H THR 34 1.293 -1.130 6.190
294 HA THR 34 HA THR 34 3.339 0.925 6.595
295 HB THR 34 HB THR 34 3.729 -0.860 4.941
296 HG1 THR 34 1HG THR 34 3.944 1.743 4.588
297 HG21 THR 34 31HG THR 34 2.209 -1.445 3.383
298 HG22 THR 34 1HG2 THR 34 1.855 0.234 2.974
299 HG23 THR 34 2HG2 THR 34 1.058 -0.524 4.353
300 H CYS 35 H CYS 35 0.060 0.627 5.308
301 HA CYS 35 HA CYS 35 -0.077 3.576 5.219
302 HB2 CYS 35 2HB CYS 35 0.132 2.561 2.908
303 HB3 CYS 35 1HB CYS 35 -1.423 1.783 3.190
304 HN1 NH2 36 H2 NH2 36 -3.138 3.401 6.912
305 HN2 NH2 36 H1 NH2 36 -1.779 4.319 6.473
Start of MODEL 4
1 HA PFX 0 HA PFX 0 -7.334 13.033 -6.796
2 H1N PFX 0 H1N PFX 0 -7.876 12.906 -8.977
3 H2N PFX 0 H2N PFX 0 -7.658 11.224 -9.065
4 H3N PFX 0 H3N PFX 0 -6.311 12.260 -9.079
5 H1B PFX 0 1HB PFX 0 -9.214 11.694 -6.555
6 H2B PFX 0 2HB PFX 0 -8.007 10.691 -5.750
7 HD1 PFX 0 HD1 PFX 0 -10.376 10.893 -8.442
8 HD2 PFX 0 HD2 PFX 0 -6.786 8.919 -7.166
9 HE1 PFX 0 HE1 PFX 0 -10.783 9.092 -10.090
10 HE2 PFX 0 HE2 PFX 0 -7.192 7.114 -8.813
11 HNH PFX 0 HNH PFX 0 -4.833 10.914 -8.418
12 H11 PFX 0 1HNH PFX 0 -4.299 13.570 -7.913
13 H21 PFX 0 2HNH PFX 0 -3.059 12.390 -8.331
14 H12 PFX 0 1H2 PFX 0 -4.063 13.003 -5.535
15 H22 PFX 0 2H2 PFX 0 -2.501 13.473 -6.205
16 H14 PFX 0 1H4 PFX 0 -3.914 11.107 -4.157
17 H24 PFX 0 2H4 PFX 0 -2.452 12.046 -3.859
18 H15 PFX 0 1H5 PFX 0 -1.181 10.185 -3.552
19 H25 PFX 0 2H5 PFX 0 -1.954 9.329 -4.887
20 H17 PFX 0 1H7 PFX 0 -3.662 9.319 -1.105
21 H27 PFX 0 2H7 PFX 0 -3.353 10.862 -1.900
22 H ARG 1 H ARG 1 -1.309 8.101 -1.996
23 HA ARG 1 HA ARG 1 0.773 8.867 -0.277
24 HB2 ARG 1 2HB ARG 1 -1.578 8.851 1.131
25 HB3 ARG 1 1HB ARG 1 -0.995 7.210 1.399
26 HG2 ARG 1 2HG ARG 1 0.795 9.622 1.762
27 HG3 ARG 1 1HG ARG 1 -0.206 8.993 3.069
28 HD2 ARG 1 2HD ARG 1 0.881 6.694 2.447
29 HD3 ARG 1 1HD ARG 1 2.112 7.683 1.673
30 HE ARG 1 HE ARG 1 2.592 8.662 3.845
31 HH11 ARG 1 1HH2 ARG 1 0.477 5.907 3.816
32 HH12 ARG 1 2HH2 ARG 1 0.753 5.514 5.477
33 HH21 ARG 1 1HH1 ARG 1 2.944 8.142 6.021
34 HH22 ARG 1 2HH1 ARG 1 2.142 6.777 6.724
35 H SER 2 H SER 2 -1.435 6.067 -0.182
36 HA SER 2 HA SER 2 -0.399 4.259 -1.834
37 HB2 SER 2 2HB SER 2 1.399 3.122 -0.278
38 HB3 SER 2 1HB SER 2 1.859 4.441 -1.350
39 HG SER 2 HG SER 2 1.820 5.832 0.354
40 H CYS 3 H CYS 3 -2.753 4.324 -0.697
41 HA CYS 3 HA CYS 3 -2.781 1.963 1.070
42 HB2 CYS 3 2HB CYS 3 -4.744 4.205 1.450
43 HB3 CYS 3 1HB CYS 3 -4.304 2.916 2.569
44 H ILE 4 H ILE 4 -3.250 0.841 -0.942
45 HA ILE 4 HA ILE 4 -6.058 0.498 -1.342
46 HB ILE 4 HB ILE 4 -5.745 0.974 -3.913
47 HG12 ILE 4 2HG1 ILE 4 -3.708 2.807 -2.607
48 HG13 ILE 4 1HG1 ILE 4 -3.368 1.539 -3.787
49 HG21 ILE 4 1HG2 ILE 4 -5.972 3.479 -2.281
50 HG22 ILE 4 2HG2 ILE 4 -7.167 2.207 -2.031
51 HG23 ILE 4 31HG ILE 4 -6.967 2.926 -3.626
52 HD11 ILE 4 3HD1 ILE 4 -3.497 3.315 -5.243
53 HD12 ILE 4 1HD1 ILE 4 -4.576 4.232 -4.194
54 HD13 ILE 4 2HD1 ILE 4 -5.213 2.915 -5.180
55 H ASP 5 H ASP 5 -6.208 -1.619 -1.538
56 HA ASP 5 HA ASP 5 -4.057 -3.102 -2.922
57 HB2 ASP 5 2HB ASP 5 -4.609 -4.994 -1.573
58 HB3 ASP 5 1HB ASP 5 -4.510 -3.611 -0.487
59 H THR 6 H THR 6 -4.854 -5.178 -3.964
60 HA THR 6 HA THR 6 -7.572 -4.979 -5.042
61 HB THR 6 HB THR 6 -6.288 -3.722 -6.659
62 HG1 THR 6 1HG THR 6 -7.071 -4.801 -8.297
63 HG21 THR 6 31HG THR 6 -4.521 -5.998 -7.359
64 HG22 THR 6 1HG2 THR 6 -4.147 -5.164 -5.851
65 HG23 THR 6 2HG2 THR 6 -4.187 -4.267 -7.369
66 H ILE 7 H ILE 7 -5.446 -6.799 -3.496
67 HA ILE 7 HA ILE 7 -6.455 -9.283 -4.729
68 HB ILE 7 HB ILE 7 -4.224 -10.331 -4.194
69 HG12 ILE 7 2HG1 ILE 7 -2.805 -7.788 -4.344
70 HG13 ILE 7 1HG1 ILE 7 -3.793 -7.904 -2.887
71 HG21 ILE 7 1HG2 ILE 7 -3.158 -8.632 -6.104
72 HG22 ILE 7 2HG2 ILE 7 -4.898 -8.445 -6.330
73 HG23 ILE 7 31HG ILE 7 -4.161 -10.045 -6.436
74 HD11 ILE 7 3HD1 ILE 7 -2.086 -10.236 -3.712
75 HD12 ILE 7 1HD1 ILE 7 -2.651 -9.786 -2.103
76 HD13 ILE 7 2HD1 ILE 7 -1.350 -8.875 -2.867
77 HA PRO 8 HA PRO 8 -7.575 -10.329 -0.614
78 HB2 PRO 8 2HB PRO 8 -7.536 -13.061 -0.769
79 HB3 PRO 8 1HB PRO 8 -8.801 -12.059 -1.506
80 HG2 PRO 8 2HG PRO 8 -6.442 -13.357 -2.765
81 HG3 PRO 8 1HG PRO 8 -8.091 -13.165 -3.383
82 HD2 PRO 8 2HD PRO 8 -6.001 -11.578 -4.176
83 HD3 PRO 8 1HD PRO 8 -7.690 -11.033 -4.176
84 H LYS 9 H LYS 9 -6.609 -10.669 1.332
85 HA LYS 9 HA LYS 9 -3.896 -10.617 1.707
86 HB2 LYS 9 2HB LYS 9 -5.510 -12.166 3.685
87 HB3 LYS 9 1HB LYS 9 -4.306 -10.906 3.954
88 HG2 LYS 9 2HG LYS 9 -5.982 -9.290 2.872
89 HG3 LYS 9 1HG LYS 9 -7.173 -10.580 3.050
90 HD2 LYS 9 2HD LYS 9 -5.656 -10.174 5.505
91 HD3 LYS 9 1HD LYS 9 -6.482 -8.703 4.996
92 HE2 LYS 9 2HE LYS 9 -8.602 -9.929 4.825
93 HE3 LYS 9 1HE LYS 9 -7.788 -11.425 5.282
94 HZ1 LYS 9 3HZ LYS 9 -8.734 -9.305 6.936
95 HZ2 LYS 9 1HZ LYS 9 -7.091 -9.620 7.221
96 HZ3 LYS 9 2HZ LYS 9 -8.233 -10.871 7.368
97 H SER 10 H SER 10 -5.767 -13.283 0.671
98 HA SER 10 HA SER 10 -4.317 -15.464 1.657
99 HB2 SER 10 2HB SER 10 -5.819 -15.091 -0.936
100 HB3 SER 10 1HB SER 10 -5.144 -16.634 -0.424
101 HG SER 10 HG SER 10 -7.273 -15.155 0.612
102 H ARG 11 H ARG 11 -3.016 -12.968 0.057
103 HA ARG 11 HA ARG 11 -0.934 -14.667 -1.178
104 HB2 ARG 11 2HB ARG 11 -2.283 -12.207 -2.253
105 HB3 ARG 11 1HB ARG 11 -0.642 -12.616 -2.751
106 HG2 ARG 11 2HG ARG 11 -1.402 -14.215 -4.140
107 HG3 ARG 11 1HG ARG 11 -2.318 -14.972 -2.837
108 HD2 ARG 11 2HD ARG 11 -4.187 -13.476 -3.201
109 HD3 ARG 11 1HD ARG 11 -3.263 -12.539 -4.373
110 HE ARG 11 HE ARG 11 -3.680 -14.196 -5.962
111 HH11 ARG 11 1HH2 ARG 11 -4.500 -15.251 -2.771
112 HH12 ARG 11 2HH2 ARG 11 -5.314 -16.683 -3.303
113 HH21 ARG 11 1HH1 ARG 11 -4.740 -16.077 -6.670
114 HH22 ARG 11 2HH1 ARG 11 -5.445 -17.154 -5.513
115 H CYS 12 H CYS 12 -1.575 -12.673 1.310
116 HA CYS 12 HA CYS 12 0.994 -11.238 1.212
117 HB2 CYS 12 2HB CYS 12 -1.588 -10.831 2.606
118 HB3 CYS 12 1HB CYS 12 -0.142 -10.414 3.525
119 H THR 13 H THR 13 2.602 -12.559 1.847
120 HA THR 13 HA THR 13 2.213 -14.099 4.344
121 HB THR 13 HB THR 13 3.556 -15.806 3.510
122 HG1 THR 13 1HG THR 13 5.347 -14.796 2.853
123 HG21 THR 13 31HG THR 13 2.763 -15.104 0.776
124 HG22 THR 13 1HG2 THR 13 1.453 -14.944 1.945
125 HG23 THR 13 2HG2 THR 13 2.289 -16.486 1.763
126 H ALA 14 H ALA 14 4.205 -14.406 5.634
127 HA ALA 14 HA ALA 14 5.450 -11.912 6.191
128 HB1 ALA 14 1HB ALA 14 5.055 -14.099 7.668
129 HB2 ALA 14 2HB ALA 14 6.362 -12.967 8.019
130 HB3 ALA 14 3HB ALA 14 6.697 -14.453 7.129
131 H PHE 15 H PHE 15 5.843 -13.573 3.532
132 HA PHE 15 HA PHE 15 8.770 -13.165 3.412
133 HB2 PHE 15 2HB PHE 15 8.929 -15.288 2.710
134 HB3 PHE 15 1HB PHE 15 7.179 -15.469 2.755
135 HD1 PHE 15 2HD PHE 15 9.936 -14.078 0.644
136 HD2 PHE 15 1HD PHE 15 5.972 -15.726 0.749
137 HE1 PHE 15 2HE PHE 15 9.889 -14.120 -1.836
138 HE2 PHE 15 1HE PHE 15 5.925 -15.769 -1.731
139 HZ PHE 15 HZ PHE 15 7.884 -14.965 -3.023
140 H GLN 16 H GLN 16 5.666 -12.451 2.056
141 HA GLN 16 HA GLN 16 6.767 -11.313 -0.386
142 HB2 GLN 16 2HB GLN 16 4.027 -11.740 0.732
143 HB3 GLN 16 1HB GLN 16 4.253 -10.517 -0.520
144 HG2 GLN 16 2HG GLN 16 5.389 -13.287 -0.851
145 HG3 GLN 16 1HG GLN 16 3.711 -12.945 -1.269
146 HE21 GLN 16 1HE2 GLN 16 6.455 -13.378 -2.855
147 HE22 GLN 16 2HE2 GLN 16 6.357 -12.170 -4.044
148 H CYS 17 H CYS 17 5.146 -10.137 2.558
149 HA CYS 17 HA CYS 17 5.174 -7.400 1.917
150 HB2 CYS 17 2HB CYS 17 4.216 -8.896 3.993
151 HB3 CYS 17 1HB CYS 17 5.562 -8.052 4.760
152 H LYS 18 H LYS 18 7.791 -9.362 2.172
153 HA LYS 18 HA LYS 18 9.518 -7.127 3.048
154 HB2 LYS 18 2HB LYS 18 9.494 -8.935 4.726
155 HB3 LYS 18 1HB LYS 18 10.000 -10.083 3.486
156 HG2 LYS 18 2HG LYS 18 12.033 -8.653 3.091
157 HG3 LYS 18 1HG LYS 18 11.554 -7.678 4.481
158 HD2 LYS 18 2HD LYS 18 12.368 -10.587 4.435
159 HD3 LYS 18 1HD LYS 18 13.091 -9.267 5.356
160 HE2 LYS 18 2HE LYS 18 10.806 -9.044 6.511
161 HE3 LYS 18 1HE LYS 18 10.427 -10.616 5.809
162 HZ1 LYS 18 3HZ LYS 18 12.220 -9.944 7.972
163 HZ2 LYS 18 1HZ LYS 18 12.856 -11.051 6.855
164 HZ3 LYS 18 2HZ LYS 18 11.395 -11.395 7.651
165 H HIS 19 H HIS 19 9.149 -9.956 0.967
166 HA HIS 19 HA HIS 19 11.577 -9.360 -0.513
167 HB2 HIS 19 2HB HIS 19 9.398 -11.406 -0.998
168 HB3 HIS 19 1HB HIS 19 10.920 -11.307 -1.884
169 HD1 HIS 19 1HD HIS 19 10.288 -11.007 1.865
170 HD2 HIS 19 2HD HIS 19 12.425 -13.376 -0.819
171 HE1 HIS 19 1HE HIS 19 11.669 -12.604 3.262
172 HE2 HIS 19 2HE HIS 19 12.980 -14.054 1.641
173 H SER 20 H SER 20 8.069 -9.304 -1.097
174 HA SER 20 HA SER 20 8.469 -7.985 -3.673
175 HB2 SER 20 2HB SER 20 6.012 -8.146 -3.858
176 HB3 SER 20 1HB SER 20 6.740 -9.710 -3.507
177 HG SER 20 HG SER 20 5.401 -7.940 -1.745
178 H NLE 21 H NLE 21 8.713 -5.852 -3.758
179 HA NLE 21 HA NLE 21 8.184 -4.142 -1.534
180 HB2 NLE 21 1HB NLE 21 8.446 -2.857 -4.164
181 HB3 NLE 21 2HB NLE 21 9.757 -3.970 -3.768
182 HG2 NLE 21 1HG NLE 21 8.828 -2.037 -1.673
183 HG3 NLE 21 2HG NLE 21 9.848 -1.437 -2.981
184 HD2 NLE 21 1HD NLE 21 10.747 -3.975 -1.752
185 HD3 NLE 21 2HD NLE 21 10.813 -2.567 -0.690
186 HE1 NLE 21 3HE NLE 21 12.895 -3.026 -2.126
187 HE2 NLE 21 1HE NLE 21 12.248 -1.388 -2.182
188 HE3 NLE 21 2HE NLE 21 11.921 -2.509 -3.504
189 H LYS 22 H LYS 22 6.468 -4.896 -4.516
190 HA LYS 22 HA LYS 22 4.527 -2.820 -4.282
191 HB2 LYS 22 2HB LYS 22 3.636 -5.231 -5.693
192 HB3 LYS 22 1HB LYS 22 3.782 -3.575 -6.274
193 HG2 LYS 22 2HG LYS 22 5.432 -4.569 -7.547
194 HG3 LYS 22 1HG LYS 22 6.388 -4.125 -6.136
195 HD2 LYS 22 2HD LYS 22 6.952 -6.311 -5.993
196 HD3 LYS 22 1HD LYS 22 5.297 -6.604 -5.452
197 HE2 LYS 22 2HE LYS 22 5.786 -8.061 -7.345
198 HE3 LYS 22 1HE LYS 22 4.611 -6.844 -7.844
199 HZ1 LYS 22 3HZ LYS 22 6.832 -7.364 -9.196
200 HZ2 LYS 22 1HZ LYS 22 7.409 -6.136 -8.177
201 HZ3 LYS 22 2HZ LYS 22 6.080 -5.840 -9.195
202 H TYR 23 H TYR 23 4.880 -4.188 -1.818
203 HA TYR 23 HA TYR 23 2.166 -5.308 -1.465
204 HB2 TYR 23 2HB TYR 23 4.807 -6.344 -0.527
205 HB3 TYR 23 1HB TYR 23 3.395 -6.573 0.506
206 HD1 TYR 23 1HD TYR 23 4.385 -6.890 -3.102
207 HD2 TYR 23 2HD TYR 23 2.065 -8.453 0.157
208 HE1 TYR 23 1HE TYR 23 3.634 -8.769 -4.537
209 HE2 TYR 23 2HE TYR 23 1.314 -10.331 -1.278
210 HH TYR 23 HH TYR 23 2.369 -10.580 -4.679
211 H ARG 24 H ARG 24 4.931 -3.841 0.256
212 HA ARG 24 HA ARG 24 3.271 -2.966 2.445
213 HB2 ARG 24 2HB ARG 24 6.154 -2.543 1.685
214 HB3 ARG 24 1HB ARG 24 5.421 -1.671 3.030
215 HG2 ARG 24 2HG ARG 24 4.631 -3.991 3.852
216 HG3 ARG 24 1HG ARG 24 5.816 -4.644 2.720
217 HD2 ARG 24 2HD ARG 24 6.236 -3.268 5.290
218 HD3 ARG 24 1HD ARG 24 7.278 -4.405 4.440
219 HE ARG 24 HE ARG 24 7.452 -1.548 4.343
220 HH11 ARG 24 1HH2 ARG 24 7.840 -4.459 2.511
221 HH12 ARG 24 2HH2 ARG 24 9.022 -3.788 1.437
222 HH21 ARG 24 1HH1 ARG 24 9.003 -0.664 2.937
223 HH22 ARG 24 2HH1 ARG 24 9.683 -1.643 1.681
224 H LEU 25 H LEU 25 2.919 -2.049 -0.473
225 HA LEU 25 HA LEU 25 1.993 0.566 0.110
226 HB2 LEU 25 2HB LEU 25 3.575 1.745 -1.502
227 HB3 LEU 25 1HB LEU 25 4.243 1.319 0.073
228 HG LEU 25 HG LEU 25 4.674 -0.945 -1.529
229 HD11 LEU 25 1HD1 LEU 25 5.655 1.494 -3.016
230 HD12 LEU 25 2HD1 LEU 25 4.135 0.704 -3.435
231 HD13 LEU 25 3HD1 LEU 25 5.653 -0.187 -3.553
232 HD21 LEU 25 31HD LEU 25 6.123 0.142 0.256
233 HD22 LEU 25 1HD2 LEU 25 6.646 1.289 -0.977
234 HD23 LEU 25 2HD2 LEU 25 6.998 -0.429 -1.165
235 H SER 26 H SER 26 1.063 -1.856 -1.129
236 HA SER 26 HA SER 26 -0.075 -0.711 -3.522
237 HB2 SER 26 2HB SER 26 2.199 -2.525 -3.690
238 HB3 SER 26 1HB SER 26 0.786 -3.154 -4.533
239 HG SER 26 HG SER 26 1.299 -1.779 -6.033
240 H PHE 27 H PHE 27 0.555 -4.003 -2.331
241 HA PHE 27 HA PHE 27 -2.346 -4.510 -2.385
242 HB2 PHE 27 2HB PHE 27 -0.285 -6.633 -1.900
243 HB3 PHE 27 1HB PHE 27 -1.873 -6.767 -2.648
244 HD1 PHE 27 2HD PHE 27 -1.895 -4.632 -4.629
245 HD2 PHE 27 1HD PHE 27 1.294 -7.280 -3.504
246 HE1 PHE 27 2HE PHE 27 -0.868 -4.347 -6.868
247 HE2 PHE 27 1HE PHE 27 2.322 -6.995 -5.741
248 HZ PHE 27 HZ PHE 27 1.240 -5.529 -7.425
249 H CYS 28 H CYS 28 0.474 -5.274 -0.337
250 HA CYS 28 HA CYS 28 -1.276 -5.643 1.967
251 HB2 CYS 28 2HB CYS 28 1.250 -6.656 1.162
252 HB3 CYS 28 1HB CYS 28 1.501 -5.764 2.657
253 H ARG 29 H ARG 29 -1.663 -3.151 1.317
254 HA ARG 29 HA ARG 29 0.247 -1.457 2.736
255 HB2 ARG 29 2HB ARG 29 -1.778 0.210 1.923
256 HB3 ARG 29 1HB ARG 29 -0.304 -0.109 1.020
257 HG2 ARG 29 2HG ARG 29 -2.146 -0.478 -0.485
258 HG3 ARG 29 1HG ARG 29 -1.496 -2.060 -0.066
259 HD2 ARG 29 2HD ARG 29 -4.126 -1.471 0.063
260 HD3 ARG 29 1HD ARG 29 -3.361 -2.663 1.103
261 HE ARG 29 HE ARG 29 -3.267 -0.962 2.847
262 HH11 ARG 29 1HH2 ARG 29 -5.212 -0.254 0.057
263 HH12 ARG 29 2HH2 ARG 29 -6.151 0.955 0.863
264 HH21 ARG 29 1HH1 ARG 29 -4.491 0.620 3.887
265 HH22 ARG 29 2HH1 ARG 29 -5.745 1.449 3.027
266 H LYS 30 H LYS 30 -1.438 -3.404 4.122
267 HA LYS 30 HA LYS 30 -2.481 -1.609 6.163
268 HB2 LYS 30 2HB LYS 30 -4.522 -3.462 6.069
269 HB3 LYS 30 1HB LYS 30 -4.617 -1.809 5.463
270 HG2 LYS 30 2HG LYS 30 -5.335 -3.221 3.671
271 HG3 LYS 30 1HG LYS 30 -3.706 -2.700 3.258
272 HD2 LYS 30 2HD LYS 30 -2.906 -4.812 3.339
273 HD3 LYS 30 1HD LYS 30 -3.709 -5.130 4.878
274 HE2 LYS 30 2HE LYS 30 -5.872 -5.383 3.595
275 HE3 LYS 30 1HE LYS 30 -4.925 -5.304 2.109
276 HZ1 LYS 30 3HZ LYS 30 -5.198 -7.577 2.655
277 HZ2 LYS 30 1HZ LYS 30 -4.735 -7.328 4.266
278 HZ3 LYS 30 2HZ LYS 30 -3.587 -7.183 3.023
279 H THR 31 H THR 31 -1.775 -4.857 5.032
280 HA THR 31 HA THR 31 -1.957 -6.159 7.554
281 HB THR 31 HB THR 31 -0.044 -7.209 5.550
282 HG1 THR 31 1HG THR 31 -2.810 -6.851 5.036
283 HG21 THR 31 31HG THR 31 -1.221 -9.271 6.026
284 HG22 THR 31 1HG2 THR 31 -2.515 -8.390 6.837
285 HG23 THR 31 2HG2 THR 31 -0.905 -8.449 7.554
286 H CYS 32 H CYS 32 0.717 -4.756 5.690
287 HA CYS 32 HA CYS 32 2.668 -5.330 7.738
288 HB2 CYS 32 2HB CYS 32 2.657 -4.192 5.036
289 HB3 CYS 32 1HB CYS 32 3.795 -3.405 6.130
290 H GLY 33 H GLY 33 0.183 -3.180 7.560
291 HA2 GLY 33 2HA GLY 33 -0.377 -1.338 8.826
292 HA3 GLY 33 1HA GLY 33 1.065 -1.653 9.789
293 H THR 34 H THR 34 1.146 -1.161 6.318
294 HA THR 34 HA THR 34 3.026 1.012 6.645
295 HB THR 34 HB THR 34 2.740 -0.869 4.730
296 HG1 THR 34 1HG THR 34 4.490 0.113 4.177
297 HG21 THR 34 31HG THR 34 0.601 0.295 3.984
298 HG22 THR 34 1HG2 THR 34 1.812 0.045 2.724
299 HG23 THR 34 2HG2 THR 34 1.620 1.636 3.462
300 H CYS 35 H CYS 35 -0.343 0.783 6.524
301 HA CYS 35 HA CYS 35 -0.579 3.679 6.364
302 HB2 CYS 35 2HB CYS 35 -0.729 2.966 4.001
303 HB3 CYS 35 1HB CYS 35 -2.068 1.899 4.420
304 HN1 NH2 36 H2 NH2 36 -2.861 1.404 8.588
305 HN2 NH2 36 H1 NH2 36 -1.296 1.038 8.045
Start of MODEL 5
1 HA PFX 0 HA PFX 0 -8.003 15.848 5.236
2 H1N PFX 0 H1N PFX 0 -5.973 17.727 4.928
3 H2N PFX 0 H2N PFX 0 -7.639 18.007 5.094
4 H3N PFX 0 H3N PFX 0 -6.956 17.831 3.549
5 H1B PFX 0 1HB PFX 0 -7.300 14.445 3.177
6 H2B PFX 0 2HB PFX 0 -6.764 15.980 2.490
7 HD1 PFX 0 HD1 PFX 0 -8.557 17.973 2.869
8 HD2 PFX 0 HD2 PFX 0 -9.471 13.784 2.689
9 HE1 PFX 0 HE1 PFX 0 -10.896 18.511 2.253
10 HE2 PFX 0 HE2 PFX 0 -11.810 14.318 2.073
11 HNH PFX 0 HNH PFX 0 -4.752 16.219 6.551
12 H11 PFX 0 1HNH PFX 0 -4.055 17.960 5.059
13 H21 PFX 0 2HNH PFX 0 -4.722 17.033 3.717
14 H12 PFX 0 1H2 PFX 0 -2.207 16.430 5.293
15 H22 PFX 0 2H2 PFX 0 -2.324 16.857 3.585
16 H14 PFX 0 1H4 PFX 0 -0.908 14.644 3.958
17 H24 PFX 0 2H4 PFX 0 -1.705 14.888 2.403
18 H15 PFX 0 1H5 PFX 0 -1.717 12.420 4.145
19 H25 PFX 0 2H5 PFX 0 -1.193 12.568 2.469
20 H17 PFX 0 1H7 PFX 0 -5.047 11.754 3.444
21 H27 PFX 0 2H7 PFX 0 -3.998 12.435 4.687
22 H ARG 1 H ARG 1 -4.725 9.688 2.725
23 HA ARG 1 HA ARG 1 -2.119 8.438 3.289
24 HB2 ARG 1 2HB ARG 1 -4.801 7.072 3.625
25 HB3 ARG 1 1HB ARG 1 -3.235 6.269 3.718
26 HG2 ARG 1 2HG ARG 1 -3.915 8.628 5.478
27 HG3 ARG 1 1HG ARG 1 -4.313 6.975 5.943
28 HD2 ARG 1 2HD ARG 1 -2.213 6.703 6.683
29 HD3 ARG 1 1HD ARG 1 -1.622 6.944 5.042
30 HE ARG 1 HE ARG 1 -2.035 9.485 5.950
31 HH11 ARG 1 1HH2 ARG 1 -0.359 6.701 7.134
32 HH12 ARG 1 2HH2 ARG 1 0.847 7.614 7.977
33 HH21 ARG 1 1HH1 ARG 1 -0.456 10.691 7.049
34 HH22 ARG 1 2HH1 ARG 1 0.796 9.874 7.925
35 H SER 2 H SER 2 -3.075 5.940 2.098
36 HA SER 2 HA SER 2 -4.099 6.274 -0.495
37 HB2 SER 2 2HB SER 2 -1.546 7.316 -0.345
38 HB3 SER 2 1HB SER 2 -1.261 5.670 -0.906
39 HG SER 2 HG SER 2 -1.670 6.954 -2.682
40 H CYS 3 H CYS 3 -4.068 4.523 1.859
41 HA CYS 3 HA CYS 3 -2.785 2.067 1.037
42 HB2 CYS 3 2HB CYS 3 -4.862 1.967 3.132
43 HB3 CYS 3 1HB CYS 3 -3.208 1.362 3.155
44 H ILE 4 H ILE 4 -3.616 1.027 -0.660
45 HA ILE 4 HA ILE 4 -6.408 0.198 -0.576
46 HB ILE 4 HB ILE 4 -6.127 0.959 -3.237
47 HG12 ILE 4 2HG1 ILE 4 -5.260 3.261 -1.459
48 HG13 ILE 4 1HG1 ILE 4 -4.132 2.314 -2.431
49 HG21 ILE 4 1HG2 ILE 4 -7.449 2.524 -0.999
50 HG22 ILE 4 2HG2 ILE 4 -8.140 1.079 -1.739
51 HG23 ILE 4 31HG ILE 4 -7.901 2.537 -2.703
52 HD11 ILE 4 3HD1 ILE 4 -4.748 4.271 -3.715
53 HD12 ILE 4 1HD1 ILE 4 -6.463 3.965 -3.443
54 HD13 ILE 4 2HD1 ILE 4 -5.522 2.871 -4.457
55 H ASP 5 H ASP 5 -6.584 -1.864 -1.284
56 HA ASP 5 HA ASP 5 -4.246 -3.006 -2.681
57 HB2 ASP 5 2HB ASP 5 -5.661 -3.891 -0.404
58 HB3 ASP 5 1HB ASP 5 -6.058 -5.015 -1.695
59 H THR 6 H THR 6 -4.905 -5.068 -3.893
60 HA THR 6 HA THR 6 -7.420 -4.794 -5.363
61 HB THR 6 HB THR 6 -6.294 -4.962 -7.531
62 HG1 THR 6 1HG THR 6 -4.361 -5.743 -7.460
63 HG21 THR 6 31HG THR 6 -4.757 -2.726 -6.357
64 HG22 THR 6 1HG2 THR 6 -6.488 -2.710 -6.021
65 HG23 THR 6 2HG2 THR 6 -5.914 -2.723 -7.687
66 H ILE 7 H ILE 7 -5.782 -6.565 -3.418
67 HA ILE 7 HA ILE 7 -6.550 -9.086 -4.686
68 HB ILE 7 HB ILE 7 -4.486 -9.796 -5.103
69 HG12 ILE 7 2HG1 ILE 7 -4.351 -10.425 -2.645
70 HG13 ILE 7 1HG1 ILE 7 -2.805 -10.127 -3.419
71 HG21 ILE 7 1HG2 ILE 7 -2.614 -8.157 -5.009
72 HG22 ILE 7 2HG2 ILE 7 -3.663 -7.066 -4.104
73 HG23 ILE 7 31HG ILE 7 -4.071 -7.507 -5.762
74 HD11 ILE 7 3HD1 ILE 7 -4.178 -8.565 -1.299
75 HD12 ILE 7 1HD1 ILE 7 -3.299 -7.634 -2.507
76 HD13 ILE 7 2HD1 ILE 7 -2.466 -8.854 -1.552
77 HA PRO 8 HA PRO 8 -7.768 -10.137 -0.609
78 HB2 PRO 8 2HB PRO 8 -7.465 -12.854 -0.640
79 HB3 PRO 8 1HB PRO 8 -8.758 -12.012 -1.515
80 HG2 PRO 8 2HG PRO 8 -6.206 -13.140 -2.536
81 HG3 PRO 8 1HG PRO 8 -7.811 -13.109 -3.286
82 HD2 PRO 8 2HD PRO 8 -5.780 -11.375 -3.966
83 HD3 PRO 8 1HD PRO 8 -7.505 -11.002 -4.163
84 H LYS 9 H LYS 9 -6.913 -10.447 1.436
85 HA LYS 9 HA LYS 9 -4.192 -10.126 1.884
86 HB2 LYS 9 2HB LYS 9 -5.733 -11.635 3.930
87 HB3 LYS 9 1HB LYS 9 -4.688 -10.229 4.117
88 HG2 LYS 9 2HG LYS 9 -6.663 -9.119 4.372
89 HG3 LYS 9 1HG LYS 9 -6.681 -9.154 2.609
90 HD2 LYS 9 2HD LYS 9 -8.031 -11.188 2.621
91 HD3 LYS 9 1HD LYS 9 -7.926 -11.279 4.378
92 HE2 LYS 9 2HE LYS 9 -8.971 -8.910 4.364
93 HE3 LYS 9 1HE LYS 9 -9.408 -9.266 2.693
94 HZ1 LYS 9 3HZ LYS 9 -10.022 -11.428 4.455
95 HZ2 LYS 9 1HZ LYS 9 -11.027 -10.616 3.355
96 HZ3 LYS 9 2HZ LYS 9 -10.808 -9.997 4.922
97 H SER 10 H SER 10 -5.784 -12.873 0.776
98 HA SER 10 HA SER 10 -4.185 -14.902 1.999
99 HB2 SER 10 2HB SER 10 -5.129 -16.361 0.232
100 HB3 SER 10 1HB SER 10 -6.373 -15.431 1.063
101 HG SER 10 HG SER 10 -5.544 -13.919 -0.893
102 H ARG 11 H ARG 11 -3.121 -12.490 0.172
103 HA ARG 11 HA ARG 11 -1.105 -14.185 -1.169
104 HB2 ARG 11 2HB ARG 11 -2.892 -12.212 -2.320
105 HB3 ARG 11 1HB ARG 11 -1.205 -11.774 -2.589
106 HG2 ARG 11 2HG ARG 11 -2.264 -14.559 -3.112
107 HG3 ARG 11 1HG ARG 11 -2.242 -13.304 -4.351
108 HD2 ARG 11 2HD ARG 11 0.057 -13.304 -4.511
109 HD3 ARG 11 1HD ARG 11 0.280 -13.770 -2.827
110 HE ARG 11 HE ARG 11 0.092 -16.021 -3.464
111 HH11 ARG 11 1HH2 ARG 11 -0.677 -13.845 -6.042
112 HH12 ARG 11 2HH2 ARG 11 -0.651 -15.068 -7.268
113 HH21 ARG 11 1HH1 ARG 11 0.126 -17.632 -5.068
114 HH22 ARG 11 2HH1 ARG 11 -0.198 -17.212 -6.717
115 H CYS 12 H CYS 12 -1.662 -11.936 1.193
116 HA CYS 12 HA CYS 12 1.007 -10.713 0.896
117 HB2 CYS 12 2HB CYS 12 -1.516 -9.844 2.261
118 HB3 CYS 12 1HB CYS 12 0.039 -9.231 2.827
119 H THR 13 H THR 13 2.132 -12.557 1.667
120 HA THR 13 HA THR 13 1.580 -13.504 4.367
121 HB THR 13 HB THR 13 3.079 -15.247 3.912
122 HG1 THR 13 1HG THR 13 4.346 -14.713 1.744
123 HG21 THR 13 31HG THR 13 2.536 -14.952 1.056
124 HG22 THR 13 1HG2 THR 13 1.116 -14.623 2.048
125 HG23 THR 13 2HG2 THR 13 1.949 -16.170 2.189
126 H ALA 14 H ALA 14 3.393 -13.674 5.927
127 HA ALA 14 HA ALA 14 4.497 -11.131 6.479
128 HB1 ALA 14 1HB ALA 14 4.992 -12.047 8.479
129 HB2 ALA 14 2HB ALA 14 5.884 -13.378 7.743
130 HB3 ALA 14 3HB ALA 14 4.129 -13.471 7.898
131 H PHE 15 H PHE 15 5.257 -12.794 3.931
132 HA PHE 15 HA PHE 15 8.141 -12.166 4.095
133 HB2 PHE 15 2HB PHE 15 8.491 -14.384 3.844
134 HB3 PHE 15 1HB PHE 15 6.811 -14.687 3.410
135 HD1 PHE 15 2HD PHE 15 10.127 -13.648 2.104
136 HD2 PHE 15 1HD PHE 15 6.113 -14.813 1.115
137 HE1 PHE 15 2HE PHE 15 10.781 -13.887 -0.276
138 HE2 PHE 15 1HE PHE 15 6.768 -15.054 -1.263
139 HZ PHE 15 HZ PHE 15 9.103 -14.593 -1.960
140 H GLN 16 H GLN 16 5.337 -12.625 1.960
141 HA GLN 16 HA GLN 16 6.428 -11.586 -0.396
142 HB2 GLN 16 2HB GLN 16 4.050 -12.669 0.267
143 HB3 GLN 16 1HB GLN 16 3.589 -10.968 0.185
144 HG2 GLN 16 2HG GLN 16 3.283 -11.872 -2.011
145 HG3 GLN 16 1HG GLN 16 4.733 -10.874 -2.073
146 HE21 GLN 16 1HE2 GLN 16 6.672 -11.895 -2.708
147 HE22 GLN 16 2HE2 GLN 16 6.825 -13.568 -2.948
148 H CYS 17 H CYS 17 5.038 -9.972 2.404
149 HA CYS 17 HA CYS 17 5.281 -7.361 1.092
150 HB2 CYS 17 2HB CYS 17 3.903 -6.506 2.777
151 HB3 CYS 17 1HB CYS 17 3.258 -8.126 2.509
152 H LYS 18 H LYS 18 7.533 -9.183 2.236
153 HA LYS 18 HA LYS 18 8.776 -7.079 3.905
154 HB2 LYS 18 2HB LYS 18 8.280 -9.397 4.951
155 HB3 LYS 18 1HB LYS 18 9.631 -9.962 3.965
156 HG2 LYS 18 2HG LYS 18 11.095 -8.264 4.973
157 HG3 LYS 18 1HG LYS 18 9.748 -7.663 5.939
158 HD2 LYS 18 2HD LYS 18 9.710 -9.545 7.309
159 HD3 LYS 18 1HD LYS 18 10.470 -10.571 6.093
160 HE2 LYS 18 2HE LYS 18 12.143 -8.304 6.950
161 HE3 LYS 18 1HE LYS 18 11.783 -9.454 8.237
162 HZ1 LYS 18 3HZ LYS 18 13.028 -11.025 7.286
163 HZ2 LYS 18 1HZ LYS 18 13.728 -9.757 6.405
164 HZ3 LYS 18 2HZ LYS 18 12.473 -10.675 5.720
165 H HIS 19 H HIS 19 9.062 -9.164 1.143
166 HA HIS 19 HA HIS 19 11.805 -8.188 0.652
167 HB2 HIS 19 2HB HIS 19 10.359 -10.462 -0.722
168 HB3 HIS 19 1HB HIS 19 12.073 -10.060 -0.844
169 HD1 HIS 19 1HD HIS 19 9.945 -10.245 2.305
170 HD2 HIS 19 2HD HIS 19 13.240 -12.140 0.591
171 HE1 HIS 19 1HE HIS 19 10.840 -11.844 4.052
172 HE2 HIS 19 2HE HIS 19 12.845 -13.012 3.020
173 H SER 20 H SER 20 8.591 -8.507 -0.789
174 HA SER 20 HA SER 20 9.441 -6.938 -3.117
175 HB2 SER 20 2HB SER 20 6.802 -8.288 -2.507
176 HB3 SER 20 1HB SER 20 7.215 -7.479 -4.016
177 HG SER 20 HG SER 20 9.181 -9.119 -3.542
178 H NLE 21 H NLE 21 9.000 -4.840 -3.341
179 HA NLE 21 HA NLE 21 7.751 -3.394 -1.187
180 HB2 NLE 21 1HB NLE 21 9.624 -2.361 -2.265
181 HB3 NLE 21 2HB NLE 21 8.199 -1.409 -2.681
182 HG2 NLE 21 1HG NLE 21 8.441 -3.491 -4.618
183 HG3 NLE 21 2HG NLE 21 10.029 -2.745 -4.441
184 HD2 NLE 21 1HD NLE 21 7.515 -1.103 -4.764
185 HD3 NLE 21 2HD NLE 21 8.439 -1.675 -6.152
186 HE1 NLE 21 3HE NLE 21 9.265 0.264 -3.998
187 HE2 NLE 21 1HE NLE 21 9.364 0.449 -5.749
188 HE3 NLE 21 2HE NLE 21 10.484 -0.626 -4.911
189 H LYS 22 H LYS 22 6.825 -4.446 -4.409
190 HA LYS 22 HA LYS 22 4.519 -2.802 -4.688
191 HB2 LYS 22 2HB LYS 22 3.837 -4.748 -6.277
192 HB3 LYS 22 1HB LYS 22 5.236 -3.759 -6.694
193 HG2 LYS 22 2HG LYS 22 6.758 -5.420 -6.158
194 HG3 LYS 22 1HG LYS 22 5.692 -6.159 -4.969
195 HD2 LYS 22 2HD LYS 22 5.453 -7.733 -6.612
196 HD3 LYS 22 1HD LYS 22 4.237 -6.609 -7.205
197 HE2 LYS 22 2HE LYS 22 5.510 -6.919 -9.123
198 HE3 LYS 22 1HE LYS 22 6.297 -5.502 -8.431
199 HZ1 LYS 22 3HZ LYS 22 7.181 -8.260 -7.800
200 HZ2 LYS 22 1HZ LYS 22 8.018 -6.809 -7.557
201 HZ3 LYS 22 2HZ LYS 22 7.794 -7.382 -9.141
202 H TYR 23 H TYR 23 5.170 -5.119 -2.444
203 HA TYR 23 HA TYR 23 2.366 -6.008 -2.252
204 HB2 TYR 23 2HB TYR 23 4.977 -7.138 -1.352
205 HB3 TYR 23 1HB TYR 23 3.557 -7.466 -0.360
206 HD1 TYR 23 2HD TYR 23 5.027 -7.845 -3.743
207 HD2 TYR 23 1HD TYR 23 1.786 -8.914 -1.137
208 HE1 TYR 23 2HE TYR 23 4.307 -9.587 -5.354
209 HE2 TYR 23 1HE TYR 23 1.064 -10.655 -2.745
210 HH TYR 23 HH TYR 23 2.452 -12.060 -4.671
211 H ARG 24 H ARG 24 4.787 -4.026 -0.760
212 HA ARG 24 HA ARG 24 3.313 -3.766 1.747
213 HB2 ARG 24 2HB ARG 24 5.878 -2.518 0.744
214 HB3 ARG 24 1HB ARG 24 5.180 -2.204 2.333
215 HG2 ARG 24 2HG ARG 24 5.260 -4.642 2.825
216 HG3 ARG 24 1HG ARG 24 6.035 -4.911 1.263
217 HD2 ARG 24 2HD ARG 24 7.447 -2.824 2.627
218 HD3 ARG 24 1HD ARG 24 7.266 -4.185 3.728
219 HE ARG 24 HE ARG 24 8.515 -5.530 2.212
220 HH11 ARG 24 1HH2 ARG 24 8.061 -2.258 1.177
221 HH12 ARG 24 2HH2 ARG 24 9.326 -2.310 -0.004
222 HH21 ARG 24 1HH1 ARG 24 10.175 -5.604 0.655
223 HH22 ARG 24 2HH1 ARG 24 10.517 -4.203 -0.303
224 H LEU 25 H LEU 25 3.551 -2.165 -1.305
225 HA LEU 25 HA LEU 25 1.909 0.040 -0.216
226 HB2 LEU 25 2HB LEU 25 3.053 1.647 -1.527
227 HB3 LEU 25 1HB LEU 25 4.315 0.670 -0.790
228 HG LEU 25 HG LEU 25 3.759 -0.726 -3.119
229 HD11 LEU 25 1HD1 LEU 25 4.250 1.931 -4.264
230 HD12 LEU 25 2HD1 LEU 25 2.633 1.771 -3.588
231 HD13 LEU 25 3HD1 LEU 25 3.184 0.648 -4.828
232 HD21 LEU 25 31HD LEU 25 5.954 0.133 -3.849
233 HD22 LEU 25 1HD2 LEU 25 5.973 -0.274 -2.134
234 HD23 LEU 25 2HD2 LEU 25 5.858 1.412 -2.640
235 H SER 26 H SER 26 1.201 -2.524 -1.596
236 HA SER 26 HA SER 26 -0.632 -1.338 -3.499
237 HB2 SER 26 2HB SER 26 1.813 -2.525 -4.414
238 HB3 SER 26 1HB SER 26 0.447 -3.491 -4.965
239 HG SER 26 HG SER 26 1.295 -1.152 -5.882
240 H PHE 27 H PHE 27 0.747 -4.507 -2.541
241 HA PHE 27 HA PHE 27 -1.994 -5.599 -2.567
242 HB2 PHE 27 2HB PHE 27 0.544 -7.188 -2.229
243 HB3 PHE 27 1HB PHE 27 -1.038 -7.753 -2.746
244 HD1 PHE 27 1HD PHE 27 -1.629 -5.358 -4.640
245 HD2 PHE 27 2HD PHE 27 1.779 -7.930 -4.160
246 HE1 PHE 27 1HE PHE 27 -1.004 -4.972 -7.001
247 HE2 PHE 27 2HE PHE 27 2.398 -7.545 -6.523
248 HZ PHE 27 HZ PHE 27 1.012 -6.062 -7.945
249 H CYS 28 H CYS 28 0.504 -4.687 -0.331
250 HA CYS 28 HA CYS 28 -1.180 -5.771 1.834
251 HB2 CYS 28 2HB CYS 28 1.770 -5.594 2.261
252 HB3 CYS 28 1HB CYS 28 0.584 -6.669 2.989
253 H ARG 29 H ARG 29 -1.621 -3.290 1.004
254 HA ARG 29 HA ARG 29 0.003 -1.349 2.373
255 HB2 ARG 29 2HB ARG 29 -2.442 -0.137 1.769
256 HB3 ARG 29 1HB ARG 29 -0.969 -0.068 0.809
257 HG2 ARG 29 2HG ARG 29 -2.757 -0.838 -0.619
258 HG3 ARG 29 1HG ARG 29 -1.684 -2.200 -0.318
259 HD2 ARG 29 2HD ARG 29 -4.439 -2.151 0.104
260 HD3 ARG 29 1HD ARG 29 -3.326 -3.365 0.717
261 HE ARG 29 HE ARG 29 -3.343 -2.277 2.816
262 HH11 ARG 29 1HH2 ARG 29 -5.318 -0.763 0.420
263 HH12 ARG 29 2HH2 ARG 29 -6.098 0.303 1.538
264 HH21 ARG 29 1HH1 ARG 29 -4.338 -0.863 4.284
265 HH22 ARG 29 2HH1 ARG 29 -5.549 0.243 3.728
266 H LYS 30 H LYS 30 -0.885 -3.392 4.083
267 HA LYS 30 HA LYS 30 -1.939 -1.882 6.248
268 HB2 LYS 30 2HB LYS 30 -4.015 -3.477 6.434
269 HB3 LYS 30 1HB LYS 30 -4.110 -2.025 5.446
270 HG2 LYS 30 2HG LYS 30 -4.605 -3.297 3.656
271 HG3 LYS 30 1HG LYS 30 -3.040 -4.093 3.796
272 HD2 LYS 30 2HD LYS 30 -3.984 -5.687 5.417
273 HD3 LYS 30 1HD LYS 30 -5.554 -4.897 5.279
274 HE2 LYS 30 2HE LYS 30 -5.924 -5.695 3.130
275 HE3 LYS 30 1HE LYS 30 -4.203 -5.842 2.777
276 HZ1 LYS 30 3HZ LYS 30 -5.299 -7.999 3.099
277 HZ2 LYS 30 1HZ LYS 30 -5.695 -7.557 4.688
278 HZ3 LYS 30 2HZ LYS 30 -4.065 -7.730 4.237
279 H THR 31 H THR 31 -1.647 -5.132 4.855
280 HA THR 31 HA THR 31 -1.508 -6.582 7.247
281 HB THR 31 HB THR 31 0.223 -7.537 5.055
282 HG1 THR 31 1HG THR 31 -1.916 -6.261 4.388
283 HG21 THR 31 31HG THR 31 -0.737 -9.587 5.605
284 HG22 THR 31 1HG2 THR 31 -2.255 -8.851 6.117
285 HG23 THR 31 2HG2 THR 31 -0.829 -8.737 7.147
286 H CYS 32 H CYS 32 1.242 -5.603 5.177
287 HA CYS 32 HA CYS 32 3.212 -6.246 7.104
288 HB2 CYS 32 2HB CYS 32 3.164 -5.304 4.445
289 HB3 CYS 32 1HB CYS 32 4.083 -4.116 5.369
290 H GLY 33 H GLY 33 0.854 -4.232 7.636
291 HA2 GLY 33 2HA GLY 33 0.502 -2.377 8.949
292 HA3 GLY 33 1HA GLY 33 2.010 -2.827 9.742
293 H THR 34 H THR 34 1.781 -2.032 6.334
294 HA THR 34 HA THR 34 3.809 -0.008 6.616
295 HB THR 34 HB THR 34 3.715 -1.448 4.622
296 HG1 THR 34 1HG THR 34 4.047 1.115 4.698
297 HG21 THR 34 31HG THR 34 1.521 -0.092 3.300
298 HG22 THR 34 1HG2 THR 34 0.964 -0.914 4.758
299 HG23 THR 34 2HG2 THR 34 1.807 -1.822 3.501
300 H CYS 35 H CYS 35 0.317 -0.066 6.216
301 HA CYS 35 HA CYS 35 0.294 2.892 6.234
302 HB2 CYS 35 2HB CYS 35 -0.858 2.204 4.303
303 HB3 CYS 35 1HB CYS 35 -1.615 0.846 5.131
304 HN1 NH2 36 H2 NH2 36 -2.077 3.049 8.948
305 HN2 NH2 36 H1 NH2 36 -1.682 3.814 7.485
Start of MODEL 6
1 HA PFX 0 HA PFX 0 5.235 13.921 7.912
2 H1N PFX 0 H1N PFX 0 3.004 14.323 6.498
3 H2N PFX 0 H2N PFX 0 4.453 15.176 6.252
4 H3N PFX 0 H3N PFX 0 3.211 15.858 7.192
5 H1B PFX 0 1HB PFX 0 3.609 15.337 9.934
6 H2B PFX 0 2HB PFX 0 4.440 16.386 8.785
7 HD1 PFX 0 HD1 PFX 0 4.789 14.956 11.893
8 HD2 PFX 0 HD2 PFX 0 6.950 15.347 8.207
9 HE1 PFX 0 HE1 PFX 0 6.918 14.578 13.101
10 HE2 PFX 0 HE2 PFX 0 9.082 14.971 9.413
11 HNH PFX 0 HNH PFX 0 1.948 13.744 7.288
12 H11 PFX 0 1HNH PFX 0 0.403 12.184 8.474
13 H21 PFX 0 2HNH PFX 0 1.838 11.242 8.871
14 H12 PFX 0 1H2 PFX 0 0.853 10.134 7.006
15 H22 PFX 0 2H2 PFX 0 2.215 11.038 6.344
16 H14 PFX 0 1H4 PFX 0 0.674 10.196 4.673
17 H24 PFX 0 2H4 PFX 0 0.279 11.700 3.841
18 H15 PFX 0 1H5 PFX 0 -2.021 11.550 4.452
19 H25 PFX 0 2H5 PFX 0 -1.698 10.289 5.641
20 H17 PFX 0 1H7 PFX 0 -0.383 10.029 2.019
21 H27 PFX 0 2H7 PFX 0 -1.606 11.266 2.313
22 H ARG 1 H ARG 1 -2.839 11.269 0.504
23 HA ARG 1 HA ARG 1 -4.449 10.566 -0.981
24 HB2 ARG 1 2HB ARG 1 -2.504 8.254 -1.088
25 HB3 ARG 1 1HB ARG 1 -3.875 8.419 -2.185
26 HG2 ARG 1 2HG ARG 1 -2.010 10.743 -1.845
27 HG3 ARG 1 1HG ARG 1 -1.511 9.391 -2.861
28 HD2 ARG 1 2HD ARG 1 -3.080 9.835 -4.463
29 HD3 ARG 1 1HD ARG 1 -4.275 10.378 -3.289
30 HE ARG 1 HE ARG 1 -2.197 12.276 -3.368
31 HH11 ARG 1 1HH2 ARG 1 -4.702 10.955 -5.361
32 HH12 ARG 1 2HH2 ARG 1 -4.931 12.408 -6.275
33 HH21 ARG 1 1HH1 ARG 1 -2.495 14.184 -4.564
34 HH22 ARG 1 2HH1 ARG 1 -3.684 14.236 -5.822
35 H SER 2 H SER 2 -4.485 7.329 -1.036
36 HA SER 2 HA SER 2 -6.289 7.005 1.272
37 HB2 SER 2 2HB SER 2 -7.908 5.813 -0.191
38 HB3 SER 2 1HB SER 2 -7.747 7.517 -0.605
39 HG SER 2 HG SER 2 -6.151 5.543 -1.836
40 H CYS 3 H CYS 3 -6.294 4.979 2.172
41 HA CYS 3 HA CYS 3 -4.239 3.133 1.168
42 HB2 CYS 3 2HB CYS 3 -5.554 3.554 3.837
43 HB3 CYS 3 1HB CYS 3 -4.745 2.029 3.472
44 H ILE 4 H ILE 4 -4.988 1.651 -0.211
45 HA ILE 4 HA ILE 4 -7.177 -0.072 0.589
46 HB ILE 4 HB ILE 4 -7.813 0.628 -2.092
47 HG12 ILE 4 2HG1 ILE 4 -7.794 3.039 -0.257
48 HG13 ILE 4 1HG1 ILE 4 -6.553 2.755 -1.477
49 HG21 ILE 4 1HG2 ILE 4 -9.392 -0.244 -0.438
50 HG22 ILE 4 2HG2 ILE 4 -9.957 1.321 -1.024
51 HG23 ILE 4 31HG ILE 4 -9.183 1.198 0.555
52 HD11 ILE 4 3HD1 ILE 4 -8.373 2.627 -3.205
53 HD12 ILE 4 1HD1 ILE 4 -8.242 4.208 -2.434
54 HD13 ILE 4 2HD1 ILE 4 -9.526 3.097 -1.955
55 H ASP 5 H ASP 5 -7.074 -2.067 -0.373
56 HA ASP 5 HA ASP 5 -4.871 -2.479 -2.299
57 HB2 ASP 5 2HB ASP 5 -4.878 -4.843 -1.215
58 HB3 ASP 5 1HB ASP 5 -4.091 -3.512 -0.369
59 H THR 6 H THR 6 -5.079 -4.628 -3.432
60 HA THR 6 HA THR 6 -7.864 -5.349 -4.062
61 HB THR 6 HB THR 6 -7.508 -5.180 -6.417
62 HG1 THR 6 1HG THR 6 -4.901 -4.235 -6.115
63 HG21 THR 6 31HG THR 6 -7.342 -2.865 -6.678
64 HG22 THR 6 1HG2 THR 6 -6.077 -2.719 -5.457
65 HG23 THR 6 2HG2 THR 6 -7.747 -3.012 -4.969
66 H ILE 7 H ILE 7 -5.413 -6.420 -2.630
67 HA ILE 7 HA ILE 7 -5.098 -8.954 -4.124
68 HB ILE 7 HB ILE 7 -3.077 -7.488 -3.778
69 HG12 ILE 7 2HG1 ILE 7 -3.296 -10.324 -2.843
70 HG13 ILE 7 1HG1 ILE 7 -2.433 -9.668 -4.232
71 HG21 ILE 7 1HG2 ILE 7 -3.897 -6.847 -1.427
72 HG22 ILE 7 2HG2 ILE 7 -2.176 -7.198 -1.596
73 HG23 ILE 7 31HG ILE 7 -3.259 -8.406 -0.906
74 HD11 ILE 7 3HD1 ILE 7 -0.631 -10.103 -2.861
75 HD12 ILE 7 1HD1 ILE 7 -1.564 -9.878 -1.383
76 HD13 ILE 7 2HD1 ILE 7 -1.011 -8.480 -2.297
77 HA PRO 8 HA PRO 8 -7.336 -10.663 -0.636
78 HB2 PRO 8 2HB PRO 8 -6.648 -13.322 -1.096
79 HB3 PRO 8 1HB PRO 8 -8.022 -12.480 -1.832
80 HG2 PRO 8 2HG PRO 8 -5.376 -13.137 -2.971
81 HG3 PRO 8 1HG PRO 8 -6.951 -12.994 -3.767
82 HD2 PRO 8 2HD PRO 8 -4.989 -11.090 -3.946
83 HD3 PRO 8 1HD PRO 8 -6.719 -10.729 -4.113
84 H LYS 9 H LYS 9 -6.465 -10.320 1.323
85 HA LYS 9 HA LYS 9 -3.948 -10.256 2.207
86 HB2 LYS 9 2HB LYS 9 -4.794 -11.170 4.435
87 HB3 LYS 9 1HB LYS 9 -5.660 -9.781 3.778
88 HG2 LYS 9 2HG LYS 9 -7.435 -11.189 2.945
89 HG3 LYS 9 1HG LYS 9 -6.529 -12.650 3.344
90 HD2 LYS 9 2HD LYS 9 -6.620 -12.049 5.740
91 HD3 LYS 9 1HD LYS 9 -7.551 -10.605 5.337
92 HE2 LYS 9 2HE LYS 9 -9.328 -12.018 4.371
93 HE3 LYS 9 1HE LYS 9 -8.400 -13.462 4.776
94 HZ1 LYS 9 3HZ LYS 9 -10.076 -11.877 6.441
95 HZ2 LYS 9 1HZ LYS 9 -8.518 -12.002 7.097
96 HZ3 LYS 9 2HZ LYS 9 -9.401 -13.407 6.737
97 H SER 10 H SER 10 -5.581 -13.137 1.206
98 HA SER 10 HA SER 10 -3.866 -15.014 2.500
99 HB2 SER 10 2HB SER 10 -5.137 -16.609 1.474
100 HB3 SER 10 1HB SER 10 -6.227 -15.249 1.221
101 HG SER 10 HG SER 10 -5.794 -16.381 -0.721
102 H ARG 11 H ARG 11 -2.867 -12.721 0.589
103 HA ARG 11 HA ARG 11 -0.922 -14.451 -0.808
104 HB2 ARG 11 2HB ARG 11 -2.496 -12.125 -1.833
105 HB3 ARG 11 1HB ARG 11 -0.858 -12.371 -2.437
106 HG2 ARG 11 2HG ARG 11 -1.544 -14.802 -2.876
107 HG3 ARG 11 1HG ARG 11 -3.204 -14.272 -2.602
108 HD2 ARG 11 2HD ARG 11 -1.805 -12.470 -4.406
109 HD3 ARG 11 1HD ARG 11 -1.780 -14.120 -5.011
110 HE ARG 11 HE ARG 11 -4.202 -12.526 -4.457
111 HH11 ARG 11 1HH2 ARG 11 -2.626 -15.338 -5.742
112 HH12 ARG 11 2HH2 ARG 11 -4.011 -15.868 -6.635
113 HH21 ARG 11 1HH1 ARG 11 -6.013 -13.229 -5.627
114 HH22 ARG 11 2HH1 ARG 11 -5.923 -14.678 -6.569
115 H CYS 12 H CYS 12 -1.516 -11.731 1.229
116 HA CYS 12 HA CYS 12 1.192 -10.673 0.944
117 HB2 CYS 12 2HB CYS 12 -1.043 -9.891 2.837
118 HB3 CYS 12 1HB CYS 12 0.491 -9.044 2.665
119 H THR 13 H THR 13 2.219 -12.708 1.578
120 HA THR 13 HA THR 13 1.912 -13.521 4.367
121 HB THR 13 HB THR 13 2.947 -15.486 3.778
122 HG1 THR 13 1HG THR 13 4.630 -15.588 2.362
123 HG21 THR 13 31HG THR 13 2.382 -14.757 0.936
124 HG22 THR 13 1HG2 THR 13 1.047 -14.713 2.087
125 HG23 THR 13 2HG2 THR 13 1.940 -16.212 1.829
126 H ALA 14 H ALA 14 3.772 -13.762 5.771
127 HA ALA 14 HA ALA 14 5.279 -11.423 6.065
128 HB1 ALA 14 1HB ALA 14 4.882 -12.975 7.917
129 HB2 ALA 14 2HB ALA 14 6.612 -12.713 7.698
130 HB3 ALA 14 3HB ALA 14 5.865 -14.201 7.118
131 H PHE 15 H PHE 15 5.617 -13.856 3.794
132 HA PHE 15 HA PHE 15 8.517 -13.529 3.503
133 HB2 PHE 15 2HB PHE 15 8.254 -15.723 3.018
134 HB3 PHE 15 1HB PHE 15 6.528 -15.541 2.717
135 HD1 PHE 15 1HD PHE 15 9.854 -14.721 1.185
136 HD2 PHE 15 2HD PHE 15 5.721 -15.691 0.532
137 HE1 PHE 15 1HE PHE 15 10.264 -14.826 -1.259
138 HE2 PHE 15 2HE PHE 15 6.131 -15.797 -1.911
139 HZ PHE 15 HZ PHE 15 8.403 -15.364 -2.807
140 H GLN 16 H GLN 16 5.477 -12.727 1.954
141 HA GLN 16 HA GLN 16 6.783 -11.558 -0.374
142 HB2 GLN 16 2HB GLN 16 3.925 -11.892 0.517
143 HB3 GLN 16 1HB GLN 16 4.338 -10.826 -0.827
144 HG2 GLN 16 2HG GLN 16 5.410 -13.633 -0.763
145 HG3 GLN 16 1HG GLN 16 3.763 -13.334 -1.318
146 HE21 GLN 16 1HE2 GLN 16 4.128 -10.853 -2.653
147 HE22 GLN 16 2HE2 GLN 16 5.156 -11.093 -3.982
148 H CYS 17 H CYS 17 5.367 -10.599 2.660
149 HA CYS 17 HA CYS 17 5.269 -7.779 2.073
150 HB2 CYS 17 2HB CYS 17 4.369 -9.549 4.141
151 HB3 CYS 17 1HB CYS 17 5.299 -8.243 4.875
152 H LYS 18 H LYS 18 7.862 -9.544 2.066
153 HA LYS 18 HA LYS 18 9.502 -7.497 3.398
154 HB2 LYS 18 2HB LYS 18 9.196 -9.549 4.879
155 HB3 LYS 18 1HB LYS 18 10.115 -10.442 3.668
156 HG2 LYS 18 2HG LYS 18 11.452 -7.954 4.310
157 HG3 LYS 18 1HG LYS 18 11.154 -8.887 5.777
158 HD2 LYS 18 2HD LYS 18 12.118 -10.899 4.579
159 HD3 LYS 18 1HD LYS 18 12.605 -9.805 3.283
160 HE2 LYS 18 2HE LYS 18 14.528 -9.738 4.555
161 HE3 LYS 18 1HE LYS 18 13.632 -8.439 5.341
162 HZ1 LYS 18 3HZ LYS 18 14.412 -10.988 6.370
163 HZ2 LYS 18 1HZ LYS 18 12.750 -10.709 6.568
164 HZ3 LYS 18 2HZ LYS 18 13.876 -9.605 7.200
165 H HIS 19 H HIS 19 9.207 -10.092 1.048
166 HA HIS 19 HA HIS 19 11.824 -9.596 -0.097
167 HB2 HIS 19 2HB HIS 19 9.524 -11.315 -1.062
168 HB3 HIS 19 1HB HIS 19 11.144 -11.289 -1.758
169 HD1 HIS 19 1HD HIS 19 10.224 -11.262 1.931
170 HD2 HIS 19 2HD HIS 19 12.172 -13.704 -0.827
171 HE1 HIS 19 1HE HIS 19 11.237 -13.167 3.255
172 HE2 HIS 19 2HE HIS 19 12.425 -14.668 1.587
173 H SER 20 H SER 20 8.467 -9.341 -1.288
174 HA SER 20 HA SER 20 9.379 -7.470 -3.360
175 HB2 SER 20 2HB SER 20 6.618 -8.642 -2.987
176 HB3 SER 20 1HB SER 20 7.259 -7.845 -4.421
177 HG SER 20 HG SER 20 8.275 -9.621 -4.947
178 H NLE 21 H NLE 21 9.490 -5.416 -2.661
179 HA NLE 21 HA NLE 21 8.096 -4.347 -0.467
180 HB2 NLE 21 1HB NLE 21 8.668 -2.217 -2.230
181 HB3 NLE 21 2HB NLE 21 9.948 -3.407 -2.462
182 HG2 NLE 21 1HG NLE 21 10.518 -3.383 -0.141
183 HG3 NLE 21 2HG NLE 21 9.047 -2.507 0.283
184 HD2 NLE 21 1HD NLE 21 10.035 -0.705 -1.395
185 HD3 NLE 21 2HD NLE 21 11.561 -1.497 -1.001
186 HE1 NLE 21 3HE NLE 21 11.255 0.314 0.569
187 HE2 NLE 21 1HE NLE 21 10.980 -1.194 1.442
188 HE3 NLE 21 2HE NLE 21 9.610 -0.210 0.930
189 H LYS 22 H LYS 22 7.344 -4.280 -3.938
190 HA LYS 22 HA LYS 22 5.288 -2.513 -4.097
191 HB2 LYS 22 2HB LYS 22 4.203 -4.619 -5.460
192 HB3 LYS 22 1HB LYS 22 5.404 -3.513 -6.120
193 HG2 LYS 22 2HG LYS 22 7.161 -5.010 -5.784
194 HG3 LYS 22 1HG LYS 22 6.302 -5.883 -4.513
195 HD2 LYS 22 2HD LYS 22 6.306 -7.279 -6.488
196 HD3 LYS 22 1HD LYS 22 4.667 -6.666 -6.258
197 HE2 LYS 22 2HE LYS 22 5.415 -6.490 -8.629
198 HE3 LYS 22 1HE LYS 22 5.049 -4.917 -7.921
199 HZ1 LYS 22 3HZ LYS 22 7.785 -6.045 -7.932
200 HZ2 LYS 22 1HZ LYS 22 7.314 -4.439 -7.657
201 HZ3 LYS 22 2HZ LYS 22 7.190 -5.105 -9.216
202 H TYR 23 H TYR 23 5.403 -5.232 -2.036
203 HA TYR 23 HA TYR 23 2.533 -5.505 -1.804
204 HB2 TYR 23 2HB TYR 23 4.910 -6.781 -0.512
205 HB3 TYR 23 1HB TYR 23 3.346 -6.894 0.294
206 HD1 TYR 23 1HD TYR 23 4.202 -6.823 -3.346
207 HD2 TYR 23 2HD TYR 23 2.554 -9.076 -0.082
208 HE1 TYR 23 1HE TYR 23 3.507 -8.602 -4.928
209 HE2 TYR 23 2HE TYR 23 1.860 -10.858 -1.665
210 HH TYR 23 HH TYR 23 2.538 -11.678 -3.921
211 H ARG 24 H ARG 24 5.166 -4.225 0.258
212 HA ARG 24 HA ARG 24 3.319 -3.296 2.263
213 HB2 ARG 24 2HB ARG 24 5.632 -1.909 2.768
214 HB3 ARG 24 1HB ARG 24 5.246 -3.500 3.408
215 HG2 ARG 24 2HG ARG 24 6.555 -3.224 0.716
216 HG3 ARG 24 1HG ARG 24 7.517 -3.159 2.184
217 HD2 ARG 24 2HD ARG 24 6.339 -5.336 2.865
218 HD3 ARG 24 1HD ARG 24 5.808 -5.441 1.190
219 HE ARG 24 HE ARG 24 7.939 -6.163 0.677
220 HH11 ARG 24 1HH2 ARG 24 7.981 -4.243 3.561
221 HH12 ARG 24 2HH2 ARG 24 9.683 -4.428 3.820
222 HH21 ARG 24 1HH1 ARG 24 10.162 -6.410 1.016
223 HH22 ARG 24 2HH1 ARG 24 10.918 -5.658 2.382
224 H LEU 25 H LEU 25 3.032 -2.215 -0.564
225 HA LEU 25 HA LEU 25 2.255 0.393 0.155
226 HB2 LEU 25 2HB LEU 25 3.996 1.621 -1.271
227 HB3 LEU 25 1HB LEU 25 4.496 1.078 0.329
228 HG LEU 25 HG LEU 25 4.925 -1.038 -1.581
229 HD11 LEU 25 1HD1 LEU 25 5.132 0.613 -3.310
230 HD12 LEU 25 2HD1 LEU 25 6.773 0.174 -2.838
231 HD13 LEU 25 3HD1 LEU 25 6.065 1.682 -2.262
232 HD21 LEU 25 31HD LEU 25 6.136 -0.990 0.477
233 HD22 LEU 25 1HD2 LEU 25 6.661 0.674 0.213
234 HD23 LEU 25 2HD2 LEU 25 7.326 -0.627 -0.774
235 H SER 26 H SER 26 1.344 -1.880 -1.468
236 HA SER 26 HA SER 26 0.367 -0.368 -3.713
237 HB2 SER 26 2HB SER 26 1.578 -2.898 -4.615
238 HB3 SER 26 1HB SER 26 1.473 -1.347 -5.411
239 HG SER 26 HG SER 26 3.622 -1.877 -4.798
240 H PHE 27 H PHE 27 0.903 -3.794 -3.116
241 HA PHE 27 HA PHE 27 -1.892 -4.372 -3.633
242 HB2 PHE 27 2HB PHE 27 0.435 -6.172 -2.953
243 HB3 PHE 27 1HB PHE 27 -1.155 -6.706 -3.476
244 HD1 PHE 27 2HD PHE 27 -2.045 -5.836 -5.735
245 HD2 PHE 27 1HD PHE 27 2.066 -5.577 -4.525
246 HE1 PHE 27 2HE PHE 27 -1.368 -5.534 -8.102
247 HE2 PHE 27 1HE PHE 27 2.740 -5.281 -6.885
248 HZ PHE 27 HZ PHE 27 1.029 -5.256 -8.678
249 H CYS 28 H CYS 28 0.376 -4.660 -0.900
250 HA CYS 28 HA CYS 28 -1.904 -5.357 0.818
251 HB2 CYS 28 2HB CYS 28 0.970 -5.358 1.707
252 HB3 CYS 28 1HB CYS 28 -0.388 -6.271 2.365
253 H ARG 29 H ARG 29 -2.426 -2.989 0.298
254 HA ARG 29 HA ARG 29 -0.932 -0.936 1.614
255 HB2 ARG 29 2HB ARG 29 -3.813 -0.827 0.724
256 HB3 ARG 29 1HB ARG 29 -2.706 0.526 0.943
257 HG2 ARG 29 2HG ARG 29 -1.392 -1.220 -0.824
258 HG3 ARG 29 1HG ARG 29 -3.071 -1.187 -1.368
259 HD2 ARG 29 2HD ARG 29 -1.526 0.623 -2.332
260 HD3 ARG 29 1HD ARG 29 -3.048 1.175 -1.637
261 HE ARG 29 HE ARG 29 -0.699 1.170 0.118
262 HH11 ARG 29 1HH2 ARG 29 -2.927 2.880 -1.906
263 HH12 ARG 29 2HH2 ARG 29 -2.581 4.428 -1.212
264 HH21 ARG 29 1HH1 ARG 29 -0.247 3.196 1.038
265 HH22 ARG 29 2HH1 ARG 29 -1.061 4.608 0.452
266 H LYS 30 H LYS 30 -1.607 -3.084 3.438
267 HA LYS 30 HA LYS 30 -2.482 -1.555 5.644
268 HB2 LYS 30 2HB LYS 30 -4.665 -2.591 6.067
269 HB3 LYS 30 1HB LYS 30 -4.673 -1.676 4.561
270 HG2 LYS 30 2HG LYS 30 -5.532 -3.564 3.647
271 HG3 LYS 30 1HG LYS 30 -3.880 -4.171 3.716
272 HD2 LYS 30 2HD LYS 30 -4.285 -5.219 5.862
273 HD3 LYS 30 1HD LYS 30 -5.868 -4.455 5.986
274 HE2 LYS 30 2HE LYS 30 -5.428 -6.979 4.997
275 HE3 LYS 30 1HE LYS 30 -6.847 -5.995 4.638
276 HZ1 LYS 30 3HZ LYS 30 -4.409 -5.625 3.045
277 HZ2 LYS 30 1HZ LYS 30 -6.030 -5.389 2.606
278 HZ3 LYS 30 2HZ LYS 30 -5.405 -6.964 2.725
279 H THR 31 H THR 31 -2.504 -4.808 4.284
280 HA THR 31 HA THR 31 -2.269 -6.249 6.678
281 HB THR 31 HB THR 31 -0.771 -7.549 4.604
282 HG1 THR 31 1HG THR 31 -2.996 -6.033 3.836
283 HG21 THR 31 31HG THR 31 -2.873 -9.001 4.629
284 HG22 THR 31 1HG2 THR 31 -3.511 -7.883 5.835
285 HG23 THR 31 2HG2 THR 31 -2.048 -8.807 6.176
286 H CYS 32 H CYS 32 0.174 -4.911 4.505
287 HA CYS 32 HA CYS 32 2.402 -5.802 6.082
288 HB2 CYS 32 2HB CYS 32 2.022 -4.677 3.528
289 HB3 CYS 32 1HB CYS 32 2.996 -3.511 4.426
290 H GLY 33 H GLY 33 0.043 -3.737 6.821
291 HA2 GLY 33 2HA GLY 33 -0.191 -1.958 8.265
292 HA3 GLY 33 1HA GLY 33 1.318 -2.516 8.988
293 H THR 34 H THR 34 0.863 -1.458 5.655
294 HA THR 34 HA THR 34 2.886 0.639 6.128
295 HB THR 34 HB THR 34 3.388 -0.995 4.363
296 HG1 THR 34 1HG THR 34 2.694 1.392 3.056
297 HG21 THR 34 31HG THR 34 1.931 -1.572 2.706
298 HG22 THR 34 1HG2 THR 34 1.267 0.058 2.582
299 HG23 THR 34 2HG2 THR 34 0.724 -1.020 3.869
300 H CYS 35 H CYS 35 -0.367 0.133 4.852
301 HA CYS 35 HA CYS 35 -1.856 1.693 3.932
302 HB2 CYS 35 2HB CYS 35 -2.417 1.617 6.290
303 HB3 CYS 35 1HB CYS 35 -1.155 2.792 6.663
304 HN1 NH2 36 H2 NH2 36 0.177 5.167 4.411
305 HN2 NH2 36 H1 NH2 36 -0.450 4.329 5.748
Start of MODEL 7
1 HA PFX 0 HA PFX 0 3.039 9.872 9.168
2 H1N PFX 0 H1N PFX 0 0.794 9.679 11.033
3 H2N PFX 0 H2N PFX 0 1.284 11.228 10.535
4 H3N PFX 0 H3N PFX 0 2.387 10.193 11.306
5 H1B PFX 0 1HB PFX 0 1.259 7.899 8.379
6 H2B PFX 0 2HB PFX 0 1.082 7.913 10.135
7 HD1 PFX 0 HD1 PFX 0 3.320 8.008 11.508
8 HD2 PFX 0 HD2 PFX 0 3.047 6.724 7.422
9 HE1 PFX 0 HE1 PFX 0 5.478 6.816 11.740
10 HE2 PFX 0 HE2 PFX 0 5.205 5.531 7.652
11 HNH PFX 0 HNH PFX 0 -0.622 9.629 8.679
12 H11 PFX 0 1HNH PFX 0 -0.170 8.477 6.374
13 H21 PFX 0 2HNH PFX 0 0.180 10.136 5.896
14 H12 PFX 0 1H2 PFX 0 -2.196 10.579 7.015
15 H22 PFX 0 2H2 PFX 0 -2.433 8.878 6.615
16 H14 PFX 0 1H4 PFX 0 -1.499 8.186 4.554
17 H24 PFX 0 2H4 PFX 0 -0.538 9.459 3.801
18 H15 PFX 0 1H5 PFX 0 -3.438 9.155 3.070
19 H25 PFX 0 2H5 PFX 0 -2.238 8.091 2.335
20 H17 PFX 0 1H7 PFX 0 -0.502 8.849 1.226
21 H27 PFX 0 2H7 PFX 0 -0.502 10.452 0.490
22 H ARG 1 H ARG 1 -0.322 8.137 -0.978
23 HA ARG 1 HA ARG 1 -1.743 9.347 -3.053
24 HB2 ARG 1 2HB ARG 1 0.389 7.873 -3.133
25 HB3 ARG 1 1HB ARG 1 -0.731 6.520 -3.264
26 HG2 ARG 1 2HG ARG 1 -1.837 7.747 -5.185
27 HG3 ARG 1 1HG ARG 1 -0.495 8.891 -5.127
28 HD2 ARG 1 2HD ARG 1 -0.548 6.092 -6.091
29 HD3 ARG 1 1HD ARG 1 0.454 7.443 -6.611
30 HE ARG 1 HE ARG 1 1.002 6.157 -4.015
31 HH11 ARG 1 1HH2 ARG 1 1.890 6.931 -7.278
32 HH12 ARG 1 2HH2 ARG 1 3.545 6.466 -7.076
33 HH21 ARG 1 1HH1 ARG 1 3.168 5.543 -3.757
34 HH22 ARG 1 2HH1 ARG 1 4.270 5.683 -5.086
35 H SER 2 H SER 2 -2.117 5.864 -2.778
36 HA SER 2 HA SER 2 -5.022 6.167 -2.491
37 HB2 SER 2 2HB SER 2 -4.491 4.013 -4.283
38 HB3 SER 2 1HB SER 2 -5.399 5.488 -4.596
39 HG SER 2 HG SER 2 -2.917 4.773 -5.404
40 H CYS 3 H CYS 3 -4.857 5.379 -0.376
41 HA CYS 3 HA CYS 3 -3.437 2.947 0.180
42 HB2 CYS 3 2HB CYS 3 -5.037 4.905 1.734
43 HB3 CYS 3 1HB CYS 3 -4.960 3.264 2.373
44 H ILE 4 H ILE 4 -4.309 1.342 -1.118
45 HA ILE 4 HA ILE 4 -6.608 0.016 -0.105
46 HB ILE 4 HB ILE 4 -7.500 0.335 -2.732
47 HG12 ILE 4 2HG1 ILE 4 -7.103 3.111 -1.622
48 HG13 ILE 4 1HG1 ILE 4 -5.836 2.385 -2.612
49 HG21 ILE 4 1HG2 ILE 4 -9.415 1.384 -1.695
50 HG22 ILE 4 2HG2 ILE 4 -8.461 1.845 -0.286
51 HG23 ILE 4 31HG ILE 4 -8.813 0.144 -0.594
52 HD11 ILE 4 3HD1 ILE 4 -8.373 1.939 -3.890
53 HD12 ILE 4 1HD1 ILE 4 -6.991 2.863 -4.478
54 HD13 ILE 4 2HD1 ILE 4 -8.225 3.650 -3.496
55 H ASP 5 H ASP 5 -6.417 -2.105 -0.528
56 HA ASP 5 HA ASP 5 -4.297 -3.018 -2.294
57 HB2 ASP 5 2HB ASP 5 -4.783 -5.224 -1.393
58 HB3 ASP 5 1HB ASP 5 -4.683 -4.057 -0.074
59 H THR 6 H THR 6 -4.787 -4.966 -3.708
60 HA THR 6 HA THR 6 -7.428 -4.771 -4.996
61 HB THR 6 HB THR 6 -6.029 -3.350 -6.348
62 HG1 THR 6 1HG THR 6 -7.302 -5.303 -7.248
63 HG21 THR 6 31HG THR 6 -3.805 -3.678 -6.306
64 HG22 THR 6 1HG2 THR 6 -4.042 -5.077 -7.351
65 HG23 THR 6 2HG2 THR 6 -4.011 -5.280 -5.600
66 H ILE 7 H ILE 7 -5.097 -6.696 -3.619
67 HA ILE 7 HA ILE 7 -6.121 -9.049 -5.077
68 HB ILE 7 HB ILE 7 -3.876 -10.104 -4.761
69 HG12 ILE 7 2HG1 ILE 7 -2.220 -7.871 -4.573
70 HG13 ILE 7 1HG1 ILE 7 -3.449 -7.592 -3.337
71 HG21 ILE 7 1HG2 ILE 7 -4.751 -8.598 -6.790
72 HG22 ILE 7 2HG2 ILE 7 -3.117 -9.262 -6.767
73 HG23 ILE 7 31HG ILE 7 -3.395 -7.588 -6.288
74 HD11 ILE 7 3HD1 ILE 7 -1.727 -8.868 -2.270
75 HD12 ILE 7 1HD1 ILE 7 -1.620 -9.985 -3.629
76 HD13 ILE 7 2HD1 ILE 7 -3.042 -10.002 -2.586
77 HA PRO 8 HA PRO 8 -7.486 -10.826 -1.305
78 HB2 PRO 8 2HB PRO 8 -5.802 -13.178 -2.046
79 HB3 PRO 8 1HB PRO 8 -7.513 -13.115 -1.594
80 HG2 PRO 8 2HG PRO 8 -6.652 -13.400 -4.143
81 HG3 PRO 8 1HG PRO 8 -8.191 -12.645 -3.705
82 HD2 PRO 8 2HD PRO 8 -5.780 -11.393 -4.819
83 HD3 PRO 8 1HD PRO 8 -7.430 -10.744 -4.692
84 H LYS 9 H LYS 9 -6.672 -10.179 0.616
85 HA LYS 9 HA LYS 9 -3.933 -9.773 1.147
86 HB2 LYS 9 2HB LYS 9 -4.676 -9.609 3.545
87 HB3 LYS 9 1HB LYS 9 -5.574 -8.571 2.436
88 HG2 LYS 9 2HG LYS 9 -6.871 -11.119 2.500
89 HG3 LYS 9 1HG LYS 9 -6.598 -10.604 4.165
90 HD2 LYS 9 2HD LYS 9 -7.700 -8.481 3.745
91 HD3 LYS 9 1HD LYS 9 -7.852 -8.856 2.029
92 HE2 LYS 9 2HE LYS 9 -9.005 -10.762 4.036
93 HE3 LYS 9 1HE LYS 9 -9.884 -9.279 3.661
94 HZ1 LYS 9 3HZ LYS 9 -9.306 -10.069 1.219
95 HZ2 LYS 9 1HZ LYS 9 -10.700 -10.594 2.032
96 HZ3 LYS 9 2HZ LYS 9 -9.325 -11.591 1.973
97 H SER 10 H SER 10 -5.414 -12.623 0.627
98 HA SER 10 HA SER 10 -4.385 -14.232 2.759
99 HB2 SER 10 2HB SER 10 -6.193 -15.206 1.628
100 HB3 SER 10 1HB SER 10 -5.540 -14.807 0.042
101 HG SER 10 HG SER 10 -4.848 -16.859 1.823
102 H ARG 11 H ARG 11 -3.128 -13.040 -0.276
103 HA ARG 11 HA ARG 11 -0.908 -14.883 -0.387
104 HB2 ARG 11 2HB ARG 11 -1.580 -12.334 -1.857
105 HB3 ARG 11 1HB ARG 11 -0.069 -13.199 -2.116
106 HG2 ARG 11 2HG ARG 11 -2.562 -14.828 -2.204
107 HG3 ARG 11 1HG ARG 11 -2.325 -13.703 -3.536
108 HD2 ARG 11 2HD ARG 11 -1.123 -15.403 -4.448
109 HD3 ARG 11 1HD ARG 11 0.161 -14.849 -3.382
110 HE ARG 11 HE ARG 11 -1.372 -16.611 -1.883
111 HH11 ARG 11 1HH2 ARG 11 0.457 -16.627 -4.819
112 HH12 ARG 11 2HH2 ARG 11 0.903 -18.296 -4.695
113 HH21 ARG 11 1HH1 ARG 11 -0.794 -18.802 -1.713
114 HH22 ARG 11 2HH1 ARG 11 0.195 -19.529 -2.935
115 H CYS 12 H CYS 12 -1.632 -12.392 1.648
116 HA CYS 12 HA CYS 12 0.913 -11.077 1.814
117 HB2 CYS 12 2HB CYS 12 -1.588 -10.455 2.687
118 HB3 CYS 12 1HB CYS 12 -0.846 -11.025 4.184
119 H THR 13 H THR 13 2.597 -12.364 2.276
120 HA THR 13 HA THR 13 2.456 -13.934 4.779
121 HB THR 13 HB THR 13 3.666 -15.684 3.818
122 HG1 THR 13 1HG THR 13 4.285 -14.022 1.614
123 HG21 THR 13 31HG THR 13 1.342 -15.241 2.776
124 HG22 THR 13 1HG2 THR 13 2.417 -16.353 1.929
125 HG23 THR 13 2HG2 THR 13 2.235 -14.693 1.357
126 H ALA 14 H ALA 14 4.508 -14.144 5.914
127 HA ALA 14 HA ALA 14 5.897 -11.686 6.146
128 HB1 ALA 14 1HB ALA 14 5.635 -13.484 7.932
129 HB2 ALA 14 2HB ALA 14 7.244 -12.777 7.782
130 HB3 ALA 14 3HB ALA 14 6.913 -14.367 7.095
131 H PHE 15 H PHE 15 5.929 -13.456 3.553
132 HA PHE 15 HA PHE 15 8.836 -13.218 3.077
133 HB2 PHE 15 2HB PHE 15 8.784 -15.358 2.411
134 HB3 PHE 15 1HB PHE 15 7.051 -15.431 2.703
135 HD1 PHE 15 1HD PHE 15 9.466 -14.040 0.186
136 HD2 PHE 15 2HD PHE 15 5.659 -15.894 0.897
137 HE1 PHE 15 1HE PHE 15 9.068 -14.160 -2.259
138 HE2 PHE 15 2HE PHE 15 5.258 -16.012 -1.547
139 HZ PHE 15 HZ PHE 15 6.963 -15.147 -3.127
140 H GLN 16 H GLN 16 5.621 -12.417 2.034
141 HA GLN 16 HA GLN 16 6.441 -11.400 -0.550
142 HB2 GLN 16 2HB GLN 16 3.859 -11.322 1.007
143 HB3 GLN 16 1HB GLN 16 4.059 -10.485 -0.533
144 HG2 GLN 16 2HG GLN 16 4.974 -13.298 -0.502
145 HG3 GLN 16 1HG GLN 16 3.236 -13.074 -0.317
146 HE21 GLN 16 1HE2 GLN 16 5.863 -11.632 -2.347
147 HE22 GLN 16 2HE2 GLN 16 4.958 -11.668 -3.783
148 H CYS 17 H CYS 17 5.614 -10.067 2.624
149 HA CYS 17 HA CYS 17 5.779 -7.316 1.820
150 HB2 CYS 17 2HB CYS 17 4.730 -8.544 3.973
151 HB3 CYS 17 1HB CYS 17 6.283 -8.058 4.650
152 H LYS 18 H LYS 18 8.131 -9.620 1.973
153 HA LYS 18 HA LYS 18 10.203 -7.663 2.769
154 HB2 LYS 18 2HB LYS 18 10.008 -10.640 3.127
155 HB3 LYS 18 1HB LYS 18 11.583 -9.850 3.078
156 HG2 LYS 18 2HG LYS 18 9.739 -8.403 4.796
157 HG3 LYS 18 1HG LYS 18 9.904 -10.083 5.307
158 HD2 LYS 18 2HD LYS 18 11.649 -8.891 6.426
159 HD3 LYS 18 1HD LYS 18 12.427 -9.763 5.105
160 HE2 LYS 18 2HE LYS 18 11.430 -7.040 4.464
161 HE3 LYS 18 1HE LYS 18 12.815 -7.126 5.549
162 HZ1 LYS 18 3HZ LYS 18 12.958 -8.872 3.250
163 HZ2 LYS 18 1HZ LYS 18 14.147 -7.873 3.932
164 HZ3 LYS 18 2HZ LYS 18 12.986 -7.214 2.881
165 H HIS 19 H HIS 19 9.412 -10.337 0.596
166 HA HIS 19 HA HIS 19 11.698 -9.808 -1.095
167 HB2 HIS 19 2HB HIS 19 9.352 -11.687 -1.446
168 HB3 HIS 19 1HB HIS 19 10.797 -11.656 -2.457
169 HD1 HIS 19 1HD HIS 19 10.151 -11.775 1.315
170 HD2 HIS 19 2HD HIS 19 12.583 -13.553 -1.565
171 HE1 HIS 19 1HE HIS 19 11.628 -13.418 2.545
172 HE2 HIS 19 2HE HIS 19 13.112 -14.518 0.802
173 H SER 20 H SER 20 8.204 -9.316 -1.166
174 HA SER 20 HA SER 20 8.531 -7.722 -3.638
175 HB2 SER 20 2HB SER 20 6.011 -9.028 -2.591
176 HB3 SER 20 1HB SER 20 6.194 -8.174 -4.121
177 HG SER 20 HG SER 20 6.751 -10.731 -3.512
178 H NLE 21 H NLE 21 8.857 -5.680 -2.910
179 HA NLE 21 HA NLE 21 7.701 -4.583 -0.575
180 HB2 NLE 21 1HB NLE 21 8.397 -2.380 -1.686
181 HB3 NLE 21 2HB NLE 21 9.039 -3.386 -2.988
182 HG2 NLE 21 1HG NLE 21 10.548 -4.493 -1.513
183 HG3 NLE 21 2HG NLE 21 9.719 -3.872 -0.086
184 HD2 NLE 21 1HD NLE 21 10.998 -2.029 -0.095
185 HD3 NLE 21 2HD NLE 21 10.541 -1.674 -1.760
186 HE1 NLE 21 3HE NLE 21 12.289 -3.199 -2.575
187 HE2 NLE 21 1HE NLE 21 12.725 -3.604 -0.915
188 HE3 NLE 21 2HE NLE 21 12.994 -1.971 -1.524
189 H LYS 22 H LYS 22 6.630 -4.674 -3.926
190 HA LYS 22 HA LYS 22 4.686 -2.677 -3.870
191 HB2 LYS 22 2HB LYS 22 4.110 -5.266 -5.260
192 HB3 LYS 22 1HB LYS 22 3.840 -3.612 -5.814
193 HG2 LYS 22 2HG LYS 22 5.742 -3.886 -7.011
194 HG3 LYS 22 1HG LYS 22 6.579 -3.684 -5.472
195 HD2 LYS 22 2HD LYS 22 6.072 -6.267 -5.219
196 HD3 LYS 22 1HD LYS 22 5.964 -6.198 -6.978
197 HE2 LYS 22 2HE LYS 22 8.326 -5.636 -5.207
198 HE3 LYS 22 1HE LYS 22 8.239 -6.635 -6.656
199 HZ1 LYS 22 3HZ LYS 22 9.378 -4.572 -7.115
200 HZ2 LYS 22 1HZ LYS 22 8.048 -3.674 -6.566
201 HZ3 LYS 22 2HZ LYS 22 7.910 -4.623 -7.968
202 H TYR 23 H TYR 23 4.904 -4.960 -1.626
203 HA TYR 23 HA TYR 23 2.014 -5.469 -1.405
204 HB2 TYR 23 2HB TYR 23 4.453 -6.814 -0.271
205 HB3 TYR 23 1HB TYR 23 2.863 -7.059 0.451
206 HD1 TYR 23 2HD TYR 23 4.717 -7.251 -2.782
207 HD2 TYR 23 1HD TYR 23 1.312 -8.559 -0.515
208 HE1 TYR 23 2HE TYR 23 4.173 -8.903 -4.552
209 HE2 TYR 23 1HE TYR 23 0.766 -10.209 -2.285
210 HH TYR 23 HH TYR 23 2.670 -10.372 -5.289
211 H ARG 24 H ARG 24 4.725 -3.864 0.115
212 HA ARG 24 HA ARG 24 3.085 -3.185 2.450
213 HB2 ARG 24 2HB ARG 24 5.411 -1.974 2.986
214 HB3 ARG 24 1HB ARG 24 5.152 -3.687 3.314
215 HG2 ARG 24 2HG ARG 24 6.256 -4.342 1.302
216 HG3 ARG 24 1HG ARG 24 6.239 -2.694 0.680
217 HD2 ARG 24 2HD ARG 24 7.550 -2.463 3.120
218 HD3 ARG 24 1HD ARG 24 8.159 -3.977 2.456
219 HE ARG 24 HE ARG 24 9.410 -2.658 1.034
220 HH11 ARG 24 1HH2 ARG 24 6.420 -1.086 1.790
221 HH12 ARG 24 2HH2 ARG 24 6.729 0.285 0.779
222 HH21 ARG 24 1HH1 ARG 24 9.808 -0.870 -0.298
223 HH22 ARG 24 2HH1 ARG 24 8.646 0.408 -0.399
224 H LEU 25 H LEU 25 3.321 -2.117 -0.561
225 HA LEU 25 HA LEU 25 2.473 0.560 0.153
226 HB2 LEU 25 2HB LEU 25 4.145 1.759 -1.065
227 HB3 LEU 25 1HB LEU 25 4.994 0.671 0.033
228 HG LEU 25 HG LEU 25 4.503 -0.766 -2.389
229 HD11 LEU 25 1HD1 LEU 25 5.725 1.984 -2.771
230 HD12 LEU 25 2HD1 LEU 25 4.263 1.369 -3.540
231 HD13 LEU 25 3HD1 LEU 25 5.830 0.674 -3.948
232 HD21 LEU 25 31HD LEU 25 6.953 0.386 -1.045
233 HD22 LEU 25 1HD2 LEU 25 7.044 -0.660 -2.460
234 HD23 LEU 25 2HD2 LEU 25 6.355 -1.267 -0.957
235 H SER 26 H SER 26 1.429 -1.887 -1.256
236 HA SER 26 HA SER 26 0.263 -0.466 -3.486
237 HB2 SER 26 2HB SER 26 2.581 -2.048 -3.962
238 HB3 SER 26 1HB SER 26 1.202 -2.886 -4.669
239 HG SER 26 HG SER 26 2.224 -0.318 -5.192
240 H PHE 27 H PHE 27 0.836 -3.852 -2.491
241 HA PHE 27 HA PHE 27 -2.014 -4.398 -2.893
242 HB2 PHE 27 2HB PHE 27 0.048 -6.421 -2.063
243 HB3 PHE 27 1HB PHE 27 -1.451 -6.672 -2.945
244 HD1 PHE 27 2HD PHE 27 -1.182 -4.362 -4.913
245 HD2 PHE 27 1HD PHE 27 1.615 -7.342 -3.596
246 HE1 PHE 27 2HE PHE 27 0.054 -4.149 -7.055
247 HE2 PHE 27 1HE PHE 27 2.850 -7.127 -5.733
248 HZ PHE 27 HZ PHE 27 2.071 -5.533 -7.463
249 H CYS 28 H CYS 28 0.387 -5.397 -0.443
250 HA CYS 28 HA CYS 28 -1.732 -5.444 1.538
251 HB2 CYS 28 2HB CYS 28 0.832 -6.737 1.215
252 HB3 CYS 28 1HB CYS 28 0.690 -6.018 2.818
253 H ARG 29 H ARG 29 -1.420 -2.951 0.665
254 HA ARG 29 HA ARG 29 0.384 -1.449 2.336
255 HB2 ARG 29 2HB ARG 29 -1.145 0.463 1.352
256 HB3 ARG 29 1HB ARG 29 0.059 -0.334 0.344
257 HG2 ARG 29 2HG ARG 29 -1.527 -1.272 -0.980
258 HG3 ARG 29 1HG ARG 29 -2.511 -1.748 0.404
259 HD2 ARG 29 2HD ARG 29 -2.379 1.141 -0.278
260 HD3 ARG 29 1HD ARG 29 -3.353 0.081 -1.291
261 HE ARG 29 HE ARG 29 -4.742 -0.385 0.580
262 HH11 ARG 29 1HH2 ARG 29 -2.147 1.802 1.276
263 HH12 ARG 29 2HH2 ARG 29 -2.810 2.313 2.790
264 HH21 ARG 29 1HH1 ARG 29 -5.597 0.279 2.569
265 HH22 ARG 29 2HH1 ARG 29 -4.750 1.446 3.525
266 H LYS 30 H LYS 30 -1.584 -3.130 3.694
267 HA LYS 30 HA LYS 30 -2.667 -1.098 5.490
268 HB2 LYS 30 2HB LYS 30 -4.918 -2.072 5.449
269 HB3 LYS 30 1HB LYS 30 -4.480 -1.466 3.852
270 HG2 LYS 30 2HG LYS 30 -3.685 -3.825 3.318
271 HG3 LYS 30 1HG LYS 30 -4.479 -4.334 4.810
272 HD2 LYS 30 2HD LYS 30 -6.499 -2.933 3.735
273 HD3 LYS 30 1HD LYS 30 -5.680 -3.406 2.246
274 HE2 LYS 30 2HE LYS 30 -6.911 -5.153 4.360
275 HE3 LYS 30 1HE LYS 30 -7.129 -5.210 2.610
276 HZ1 LYS 30 3HZ LYS 30 -5.729 -6.996 3.114
277 HZ2 LYS 30 1HZ LYS 30 -4.795 -6.088 4.199
278 HZ3 LYS 30 2HZ LYS 30 -4.679 -5.793 2.530
279 H THR 31 H THR 31 -2.436 -4.497 4.643
280 HA THR 31 HA THR 31 -2.746 -5.492 7.305
281 HB THR 31 HB THR 31 -1.375 -7.433 5.850
282 HG1 THR 31 1HG THR 31 -3.157 -5.994 4.181
283 HG21 THR 31 31HG THR 31 -3.646 -8.410 5.571
284 HG22 THR 31 1HG2 THR 31 -4.344 -6.869 6.066
285 HG23 THR 31 2HG2 THR 31 -3.374 -7.803 7.205
286 H CYS 32 H CYS 32 0.054 -4.945 5.177
287 HA CYS 32 HA CYS 32 2.008 -5.877 7.003
288 HB2 CYS 32 2HB CYS 32 2.047 -4.188 4.534
289 HB3 CYS 32 1HB CYS 32 3.483 -4.237 5.555
290 H GLY 33 H GLY 33 -0.031 -3.257 7.200
291 HA2 GLY 33 2HA GLY 33 -0.169 -1.636 8.851
292 HA3 GLY 33 1HA GLY 33 1.398 -2.164 9.457
293 H THR 34 H THR 34 1.042 -1.414 6.086
294 HA THR 34 HA THR 34 3.010 0.691 6.327
295 HB THR 34 HB THR 34 2.351 -1.082 4.327
296 HG1 THR 34 1HG THR 34 3.692 0.739 3.151
297 HG21 THR 34 31HG THR 34 1.444 1.684 3.460
298 HG22 THR 34 1HG2 THR 34 0.394 0.279 3.664
299 HG23 THR 34 2HG2 THR 34 1.637 0.287 2.407
300 H CYS 35 H CYS 35 -0.452 0.471 5.735
301 HA CYS 35 HA CYS 35 -0.580 3.426 5.741
302 HB2 CYS 35 2HB CYS 35 -1.409 2.184 3.681
303 HB3 CYS 35 1HB CYS 35 -2.714 1.565 4.696
304 HN1 NH2 36 H2 NH2 36 -2.475 3.462 8.678
305 HN2 NH2 36 H1 NH2 36 -1.368 4.247 7.658
Start of MODEL 8
1 HA PFX 0 HA PFX 0 -11.828 17.641 -1.641
2 H1N PFX 0 H1N PFX 0 -10.410 15.454 -0.525
3 H2N PFX 0 H2N PFX 0 -11.635 16.406 0.167
4 H3N PFX 0 H3N PFX 0 -10.010 16.890 0.284
5 H1B PFX 0 1HB PFX 0 -9.765 18.711 -2.646
6 H2B PFX 0 2HB PFX 0 -8.808 17.833 -1.453
7 HD1 PFX 0 HD1 PFX 0 -11.586 20.289 -1.833
8 HD2 PFX 0 HD2 PFX 0 -8.625 18.618 0.783
9 HE1 PFX 0 HE1 PFX 0 -12.080 22.044 -0.157
10 HE2 PFX 0 HE2 PFX 0 -9.117 20.372 2.462
11 HNH PFX 0 HNH PFX 0 -10.238 14.727 -1.518
12 H11 PFX 0 1HNH PFX 0 -10.183 14.421 -4.458
13 H21 PFX 0 2HNH PFX 0 -11.064 13.273 -3.453
14 H12 PFX 0 1H2 PFX 0 -8.080 13.793 -3.451
15 H22 PFX 0 2H2 PFX 0 -8.906 12.307 -3.923
16 H14 PFX 0 1H4 PFX 0 -7.019 12.308 -1.028
17 H24 PFX 0 2H4 PFX 0 -7.305 11.520 -2.580
18 H15 PFX 0 1H5 PFX 0 -8.365 10.764 0.140
19 H25 PFX 0 2H5 PFX 0 -7.510 9.757 -1.031
20 H17 PFX 0 1H7 PFX 0 -8.472 9.745 -3.244
21 H27 PFX 0 2H7 PFX 0 -10.200 9.398 -3.309
22 H ARG 1 H ARG 1 -7.073 8.252 -2.517
23 HA ARG 1 HA ARG 1 -8.029 5.657 -3.294
24 HB2 ARG 1 2HB ARG 1 -5.797 6.823 -3.926
25 HB3 ARG 1 1HB ARG 1 -5.226 6.222 -2.369
26 HG2 ARG 1 2HG ARG 1 -4.667 4.422 -3.712
27 HG3 ARG 1 1HG ARG 1 -6.301 3.953 -3.245
28 HD2 ARG 1 2HD ARG 1 -7.197 4.904 -5.313
29 HD3 ARG 1 1HD ARG 1 -5.593 5.467 -5.773
30 HE ARG 1 HE ARG 1 -5.037 3.280 -6.377
31 HH11 ARG 1 1HH2 ARG 1 -8.031 3.413 -4.640
32 HH12 ARG 1 2HH2 ARG 1 -8.464 1.772 -4.989
33 HH21 ARG 1 1HH1 ARG 1 -5.602 1.130 -6.836
34 HH22 ARG 1 2HH1 ARG 1 -7.091 0.481 -6.234
35 H SER 2 H SER 2 -6.802 7.115 -0.328
36 HA SER 2 HA SER 2 -6.585 6.294 1.814
37 HB2 SER 2 2HB SER 2 -8.780 4.399 1.676
38 HB3 SER 2 1HB SER 2 -8.647 5.893 2.600
39 HG SER 2 HG SER 2 -9.651 5.440 0.024
40 H CYS 3 H CYS 3 -6.894 3.987 3.079
41 HA CYS 3 HA CYS 3 -4.846 2.317 1.892
42 HB2 CYS 3 2HB CYS 3 -6.380 1.835 4.453
43 HB3 CYS 3 1HB CYS 3 -4.815 1.165 3.995
44 H ILE 4 H ILE 4 -5.631 1.191 0.174
45 HA ILE 4 HA ILE 4 -7.501 -0.966 0.770
46 HB ILE 4 HB ILE 4 -8.500 -0.212 -1.650
47 HG12 ILE 4 2HG1 ILE 4 -7.982 2.324 -0.062
48 HG13 ILE 4 1HG1 ILE 4 -7.214 1.907 -1.595
49 HG21 ILE 4 1HG2 ILE 4 -10.393 0.787 -0.241
50 HG22 ILE 4 2HG2 ILE 4 -9.378 0.462 1.164
51 HG23 ILE 4 31HG ILE 4 -9.926 -0.869 0.145
52 HD11 ILE 4 3HD1 ILE 4 -10.057 1.620 -1.884
53 HD12 ILE 4 1HD1 ILE 4 -8.975 2.726 -2.730
54 HD13 ILE 4 2HD1 ILE 4 -9.711 3.211 -1.204
55 H ASP 5 H ASP 5 -7.345 -2.712 -0.695
56 HA ASP 5 HA ASP 5 -5.253 -2.506 -2.757
57 HB2 ASP 5 2HB ASP 5 -4.417 -4.766 -1.974
58 HB3 ASP 5 1HB ASP 5 -4.056 -3.415 -0.903
59 H THR 6 H THR 6 -5.185 -4.505 -4.112
60 HA THR 6 HA THR 6 -7.902 -5.614 -4.516
61 HB THR 6 HB THR 6 -7.460 -5.640 -6.895
62 HG1 THR 6 1HG THR 6 -5.513 -5.389 -7.678
63 HG21 THR 6 31HG THR 6 -8.121 -3.495 -6.979
64 HG22 THR 6 1HG2 THR 6 -6.464 -2.967 -6.685
65 HG23 THR 6 2HG2 THR 6 -7.549 -3.263 -5.327
66 H ILE 7 H ILE 7 -5.406 -6.450 -3.023
67 HA ILE 7 HA ILE 7 -4.535 -8.836 -4.438
68 HB ILE 7 HB ILE 7 -3.075 -7.244 -3.067
69 HG12 ILE 7 2HG1 ILE 7 -3.054 -10.227 -2.517
70 HG13 ILE 7 1HG1 ILE 7 -2.241 -9.400 -3.847
71 HG21 ILE 7 1HG2 ILE 7 -4.826 -7.400 -1.141
72 HG22 ILE 7 2HG2 ILE 7 -3.113 -7.375 -0.727
73 HG23 ILE 7 31HG ILE 7 -3.997 -8.901 -0.731
74 HD11 ILE 7 3HD1 ILE 7 -1.213 -9.911 -1.257
75 HD12 ILE 7 1HD1 ILE 7 -1.482 -8.172 -1.352
76 HD13 ILE 7 2HD1 ILE 7 -0.459 -8.971 -2.543
77 HA PRO 8 HA PRO 8 -7.540 -11.387 -2.329
78 HB2 PRO 8 2HB PRO 8 -6.267 -13.809 -2.795
79 HB3 PRO 8 1HB PRO 8 -7.388 -13.019 -3.916
80 HG2 PRO 8 2HG PRO 8 -4.451 -13.193 -3.999
81 HG3 PRO 8 1HG PRO 8 -5.616 -13.013 -5.318
82 HD2 PRO 8 2HD PRO 8 -4.018 -10.966 -4.341
83 HD3 PRO 8 1HD PRO 8 -5.526 -10.726 -5.248
84 H LYS 9 H LYS 9 -6.395 -10.153 -0.507
85 HA LYS 9 HA LYS 9 -4.869 -10.199 1.343
86 HB2 LYS 9 2HB LYS 9 -7.201 -12.011 1.988
87 HB3 LYS 9 1HB LYS 9 -6.247 -11.079 3.142
88 HG2 LYS 9 2HG LYS 9 -8.186 -9.759 2.744
89 HG3 LYS 9 1HG LYS 9 -6.914 -9.006 1.781
90 HD2 LYS 9 2HD LYS 9 -8.007 -9.430 -0.146
91 HD3 LYS 9 1HD LYS 9 -8.265 -11.118 0.298
92 HE2 LYS 9 2HE LYS 9 -10.303 -10.668 1.338
93 HE3 LYS 9 1HE LYS 9 -9.899 -8.974 1.620
94 HZ1 LYS 9 3HZ LYS 9 -11.087 -10.213 -0.685
95 HZ2 LYS 9 1HZ LYS 9 -9.798 -9.181 -1.071
96 HZ3 LYS 9 2HZ LYS 9 -11.123 -8.590 -0.185
97 H SER 10 H SER 10 -6.105 -13.510 0.859
98 HA SER 10 HA SER 10 -4.178 -14.832 2.386
99 HB2 SER 10 2HB SER 10 -5.869 -15.670 0.054
100 HB3 SER 10 1HB SER 10 -4.669 -16.774 0.722
101 HG SER 10 HG SER 10 -5.767 -16.873 2.567
102 H ARG 11 H ARG 11 -3.412 -12.848 -0.052
103 HA ARG 11 HA ARG 11 -1.266 -14.526 -1.154
104 HB2 ARG 11 2HB ARG 11 -3.026 -12.777 -2.375
105 HB3 ARG 11 1HB ARG 11 -1.543 -11.833 -2.246
106 HG2 ARG 11 2HG ARG 11 -0.349 -13.928 -3.157
107 HG3 ARG 11 1HG ARG 11 -1.958 -14.488 -3.612
108 HD2 ARG 11 2HD ARG 11 -2.184 -12.920 -5.271
109 HD3 ARG 11 1HD ARG 11 -1.272 -11.700 -4.390
110 HE ARG 11 HE ARG 11 0.735 -12.626 -5.254
111 HH11 ARG 11 1HH2 ARG 11 -2.131 -14.300 -6.241
112 HH12 ARG 11 2HH2 ARG 11 -1.353 -15.149 -7.535
113 HH21 ARG 11 1HH1 ARG 11 1.759 -13.736 -6.948
114 HH22 ARG 11 2HH1 ARG 11 0.847 -14.829 -7.936
115 H CYS 12 H CYS 12 -1.855 -11.726 0.854
116 HA CYS 12 HA CYS 12 0.921 -10.858 0.760
117 HB2 CYS 12 2HB CYS 12 -1.031 -9.266 0.956
118 HB3 CYS 12 1HB CYS 12 -1.271 -9.871 2.594
119 H THR 13 H THR 13 2.291 -12.234 1.727
120 HA THR 13 HA THR 13 1.665 -13.093 4.492
121 HB THR 13 HB THR 13 2.825 -15.091 4.138
122 HG1 THR 13 1HG THR 13 4.306 -13.519 2.547
123 HG21 THR 13 31HG THR 13 0.755 -14.522 2.516
124 HG22 THR 13 1HG2 THR 13 1.595 -16.072 2.474
125 HG23 THR 13 2HG2 THR 13 1.995 -14.820 1.297
126 H ALA 14 H ALA 14 3.436 -13.136 5.999
127 HA ALA 14 HA ALA 14 4.973 -10.824 6.094
128 HB1 ALA 14 1HB ALA 14 4.466 -12.600 7.937
129 HB2 ALA 14 2HB ALA 14 5.993 -11.721 7.996
130 HB3 ALA 14 3HB ALA 14 5.947 -13.367 7.365
131 H PHE 15 H PHE 15 5.382 -13.553 4.140
132 HA PHE 15 HA PHE 15 8.266 -13.259 3.838
133 HB2 PHE 15 2HB PHE 15 8.075 -15.431 3.317
134 HB3 PHE 15 1HB PHE 15 6.319 -15.309 3.327
135 HD1 PHE 15 2HD PHE 15 9.163 -14.174 1.140
136 HD2 PHE 15 1HD PHE 15 5.253 -15.935 1.364
137 HE1 PHE 15 2HE PHE 15 9.128 -14.406 -1.328
138 HE2 PHE 15 1HE PHE 15 5.218 -16.170 -1.103
139 HZ PHE 15 HZ PHE 15 7.155 -15.405 -2.451
140 H GLN 16 H GLN 16 5.313 -12.708 1.944
141 HA GLN 16 HA GLN 16 6.628 -11.813 -0.408
142 HB2 GLN 16 2HB GLN 16 4.043 -12.420 0.272
143 HB3 GLN 16 1HB GLN 16 3.982 -10.663 0.133
144 HG2 GLN 16 2HG GLN 16 3.512 -11.690 -2.038
145 HG3 GLN 16 1HG GLN 16 5.043 -10.820 -2.103
146 HE21 GLN 16 1HE2 GLN 16 3.579 -14.038 -2.128
147 HE22 GLN 16 2HE2 GLN 16 4.997 -14.872 -2.546
148 H CYS 17 H CYS 17 5.233 -10.110 2.378
149 HA CYS 17 HA CYS 17 5.707 -7.486 1.463
150 HB2 CYS 17 2HB CYS 17 4.480 -8.596 3.649
151 HB3 CYS 17 1HB CYS 17 5.928 -7.887 4.365
152 H LYS 18 H LYS 18 7.915 -9.857 2.086
153 HA LYS 18 HA LYS 18 9.991 -7.919 2.918
154 HB2 LYS 18 2HB LYS 18 9.786 -10.909 3.317
155 HB3 LYS 18 1HB LYS 18 11.269 -9.999 3.595
156 HG2 LYS 18 2HG LYS 18 9.986 -8.524 5.176
157 HG3 LYS 18 1HG LYS 18 8.611 -9.614 4.993
158 HD2 LYS 18 2HD LYS 18 9.638 -11.332 6.145
159 HD3 LYS 18 1HD LYS 18 11.260 -10.810 5.688
160 HE2 LYS 18 2HE LYS 18 11.050 -8.865 7.209
161 HE3 LYS 18 1HE LYS 18 9.449 -9.428 7.691
162 HZ1 LYS 18 3HZ LYS 18 10.511 -11.529 8.400
163 HZ2 LYS 18 1HZ LYS 18 11.034 -10.182 9.287
164 HZ3 LYS 18 2HZ LYS 18 12.031 -10.841 8.079
165 H HIS 19 H HIS 19 9.120 -10.514 0.718
166 HA HIS 19 HA HIS 19 11.599 -10.204 -0.793
167 HB2 HIS 19 2HB HIS 19 9.231 -12.036 -1.235
168 HB3 HIS 19 1HB HIS 19 10.764 -12.102 -2.106
169 HD1 HIS 19 1HD HIS 19 10.094 -11.721 1.633
170 HD2 HIS 19 2HD HIS 19 12.077 -14.272 -1.002
171 HE1 HIS 19 1HE HIS 19 11.309 -13.421 3.061
172 HE2 HIS 19 2HE HIS 19 12.534 -14.977 1.470
173 H SER 20 H SER 20 8.523 -8.847 -0.701
174 HA SER 20 HA SER 20 8.879 -7.761 -3.422
175 HB2 SER 20 2HB SER 20 6.748 -9.468 -2.534
176 HB3 SER 20 1HB SER 20 6.096 -7.873 -2.898
177 HG SER 20 HG SER 20 7.939 -9.116 -4.631
178 H NLE 21 H NLE 21 9.243 -5.649 -3.148
179 HA NLE 21 HA NLE 21 8.378 -4.216 -0.821
180 HB2 NLE 21 1HB NLE 21 10.417 -3.841 -2.530
181 HB3 NLE 21 2HB NLE 21 9.762 -2.550 -1.529
182 HG2 NLE 21 1HG NLE 21 10.001 -1.800 -3.855
183 HG3 NLE 21 2HG NLE 21 8.299 -1.846 -3.409
184 HD2 NLE 21 1HD NLE 21 7.978 -3.144 -5.234
185 HD3 NLE 21 2HD NLE 21 8.842 -4.420 -4.377
186 HE1 NLE 21 3HE NLE 21 10.988 -3.510 -5.272
187 HE2 NLE 21 1HE NLE 21 10.066 -2.330 -6.204
188 HE3 NLE 21 2HE NLE 21 9.899 -4.051 -6.549
189 H LYS 22 H LYS 22 7.059 -4.781 -3.970
190 HA LYS 22 HA LYS 22 5.284 -2.551 -4.085
191 HB2 LYS 22 2HB LYS 22 3.996 -4.399 -5.556
192 HB3 LYS 22 1HB LYS 22 5.378 -3.489 -6.163
193 HG2 LYS 22 2HG LYS 22 6.835 -5.272 -5.927
194 HG3 LYS 22 1HG LYS 22 5.898 -6.001 -4.620
195 HD2 LYS 22 2HD LYS 22 4.184 -6.719 -6.184
196 HD3 LYS 22 1HD LYS 22 4.998 -5.888 -7.511
197 HE2 LYS 22 2HE LYS 22 5.546 -8.515 -6.373
198 HE3 LYS 22 1HE LYS 22 6.116 -7.813 -7.887
199 HZ1 LYS 22 3HZ LYS 22 7.985 -6.992 -6.919
200 HZ2 LYS 22 1HZ LYS 22 7.758 -8.351 -5.930
201 HZ3 LYS 22 2HZ LYS 22 7.268 -6.818 -5.388
202 H TYR 23 H TYR 23 5.401 -5.134 -1.999
203 HA TYR 23 HA TYR 23 2.501 -5.277 -1.636
204 HB2 TYR 23 2HB TYR 23 4.853 -6.834 -0.611
205 HB3 TYR 23 1HB TYR 23 3.337 -6.871 0.289
206 HD1 TYR 23 1HD TYR 23 4.179 -6.801 -3.372
207 HD2 TYR 23 2HD TYR 23 2.150 -8.824 -0.171
208 HE1 TYR 23 1HE TYR 23 3.258 -8.441 -4.990
209 HE2 TYR 23 2HE TYR 23 1.230 -10.461 -1.786
210 HH TYR 23 HH TYR 23 2.244 -10.481 -5.161
211 H ARG 24 H ARG 24 5.443 -4.203 -0.019
212 HA ARG 24 HA ARG 24 4.261 -3.407 2.432
213 HB2 ARG 24 2HB ARG 24 6.868 -3.153 1.093
214 HB3 ARG 24 1HB ARG 24 6.486 -1.841 2.207
215 HG2 ARG 24 2HG ARG 24 5.878 -3.593 3.920
216 HG3 ARG 24 1HG ARG 24 6.523 -4.806 2.816
217 HD2 ARG 24 2HD ARG 24 7.955 -2.842 4.493
218 HD3 ARG 24 1HD ARG 24 8.483 -4.411 3.895
219 HE ARG 24 HE ARG 24 8.379 -2.071 2.089
220 HH11 ARG 24 1HH2 ARG 24 10.089 -4.651 3.667
221 HH12 ARG 24 2HH2 ARG 24 11.506 -4.482 2.689
222 HH21 ARG 24 1HH1 ARG 24 10.241 -1.854 0.818
223 HH22 ARG 24 2HH1 ARG 24 11.592 -2.906 1.078
224 H LEU 25 H LEU 25 3.745 -2.092 -0.601
225 HA LEU 25 HA LEU 25 2.539 0.258 0.526
226 HB2 LEU 25 2HB LEU 25 3.935 1.907 -0.683
227 HB3 LEU 25 1HB LEU 25 4.841 1.038 0.555
228 HG LEU 25 HG LEU 25 4.889 -0.350 -2.012
229 HD11 LEU 25 1HD1 LEU 25 4.756 1.930 -2.916
230 HD12 LEU 25 2HD1 LEU 25 6.383 1.284 -3.134
231 HD13 LEU 25 3HD1 LEU 25 6.060 2.445 -1.847
232 HD21 LEU 25 31HD LEU 25 7.056 0.808 -0.227
233 HD22 LEU 25 1HD2 LEU 25 7.306 -0.366 -1.520
234 HD23 LEU 25 2HD2 LEU 25 6.379 -0.814 -0.087
235 H SER 26 H SER 26 1.609 -1.876 -1.132
236 HA SER 26 HA SER 26 0.397 -0.291 -3.209
237 HB2 SER 26 2HB SER 26 2.757 -1.569 -3.935
238 HB3 SER 26 1HB SER 26 1.490 -2.649 -4.507
239 HG SER 26 HG SER 26 1.148 -1.260 -6.029
240 H PHE 27 H PHE 27 1.048 -3.684 -2.332
241 HA PHE 27 HA PHE 27 -1.782 -4.270 -2.875
242 HB2 PHE 27 2HB PHE 27 0.603 -6.080 -2.512
243 HB3 PHE 27 1HB PHE 27 -1.038 -6.635 -2.834
244 HD1 PHE 27 1HD PHE 27 -2.254 -5.483 -4.887
245 HD2 PHE 27 2HD PHE 27 2.001 -5.595 -4.303
246 HE1 PHE 27 1HE PHE 27 -1.909 -5.045 -7.302
247 HE2 PHE 27 2HE PHE 27 2.341 -5.159 -6.711
248 HZ PHE 27 HZ PHE 27 0.390 -4.883 -8.218
249 H CYS 28 H CYS 28 0.509 -4.175 -0.217
250 HA CYS 28 HA CYS 28 -1.595 -5.278 1.546
251 HB2 CYS 28 2HB CYS 28 1.344 -5.015 2.199
252 HB3 CYS 28 1HB CYS 28 0.117 -5.903 3.096
253 H ARG 29 H ARG 29 -2.340 -2.895 1.054
254 HA ARG 29 HA ARG 29 -1.043 -0.804 2.521
255 HB2 ARG 29 2HB ARG 29 -3.949 -0.693 1.805
256 HB3 ARG 29 1HB ARG 29 -2.737 0.585 1.766
257 HG2 ARG 29 2HG ARG 29 -1.680 -1.153 -0.041
258 HG3 ARG 29 1HG ARG 29 -3.403 -1.447 -0.275
259 HD2 ARG 29 2HD ARG 29 -2.488 0.380 -1.732
260 HD3 ARG 29 1HD ARG 29 -3.816 0.893 -0.698
261 HE ARG 29 HE ARG 29 -1.738 1.567 0.828
262 HH11 ARG 29 1HH2 ARG 29 -2.259 1.891 -2.574
263 HH12 ARG 29 2HH2 ARG 29 -1.283 3.313 -2.729
264 HH21 ARG 29 1HH1 ARG 29 -0.456 3.431 0.637
265 HH22 ARG 29 2HH1 ARG 29 -0.262 4.186 -0.910
266 H LYS 30 H LYS 30 -1.803 -3.315 4.003
267 HA LYS 30 HA LYS 30 -2.798 -1.999 6.370
268 HB2 LYS 30 2HB LYS 30 -4.614 -3.992 6.442
269 HB3 LYS 30 1HB LYS 30 -4.981 -2.373 5.850
270 HG2 LYS 30 2HG LYS 30 -5.785 -3.899 4.189
271 HG3 LYS 30 1HG LYS 30 -4.305 -3.206 3.534
272 HD2 LYS 30 2HD LYS 30 -3.224 -5.200 3.570
273 HD3 LYS 30 1HD LYS 30 -3.860 -5.614 5.162
274 HE2 LYS 30 2HE LYS 30 -6.078 -6.094 4.057
275 HE3 LYS 30 1HE LYS 30 -5.276 -5.896 2.501
276 HZ1 LYS 30 3HZ LYS 30 -3.853 -7.709 2.954
277 HZ2 LYS 30 1HZ LYS 30 -5.419 -8.230 3.343
278 HZ3 LYS 30 2HZ LYS 30 -4.340 -7.791 4.581
279 H THR 31 H THR 31 -1.959 -4.995 4.724
280 HA THR 31 HA THR 31 -1.616 -6.611 7.018
281 HB THR 31 HB THR 31 0.242 -7.208 4.844
282 HG1 THR 31 1HG THR 31 -1.981 -7.756 3.690
283 HG21 THR 31 31HG THR 31 -2.214 -8.764 5.605
284 HG22 THR 31 1HG2 THR 31 -0.839 -8.686 6.706
285 HG23 THR 31 2HG2 THR 31 -0.637 -9.361 5.090
286 H CYS 32 H CYS 32 0.617 -4.574 5.174
287 HA CYS 32 HA CYS 32 2.713 -5.025 7.182
288 HB2 CYS 32 2HB CYS 32 2.647 -4.281 4.352
289 HB3 CYS 32 1HB CYS 32 3.736 -3.275 5.306
290 H GLY 33 H GLY 33 0.153 -3.312 7.389
291 HA2 GLY 33 2HA GLY 33 -0.464 -1.201 8.123
292 HA3 GLY 33 1HA GLY 33 0.939 -1.404 9.170
293 H THR 34 H THR 34 1.012 -1.199 5.655
294 HA THR 34 HA THR 34 2.906 1.008 5.825
295 HB THR 34 HB THR 34 3.500 -0.620 4.219
296 HG1 THR 34 1HG THR 34 2.559 1.798 3.351
297 HG21 THR 34 31HG THR 34 1.409 -0.699 2.342
298 HG22 THR 34 1HG2 THR 34 0.632 -0.841 3.918
299 HG23 THR 34 2HG2 THR 34 1.889 -1.984 3.450
300 H CYS 35 H CYS 35 -0.314 0.929 6.052
301 HA CYS 35 HA CYS 35 -0.584 3.645 5.010
302 HB2 CYS 35 2HB CYS 35 -1.241 2.118 3.136
303 HB3 CYS 35 1HB CYS 35 -2.512 1.469 4.172
304 HN1 NH2 36 H2 NH2 36 -2.665 2.023 8.066
305 HN2 NH2 36 H1 NH2 36 -1.520 1.123 7.195
Start of MODEL 9
1 HA PFX 0 HA PFX 0 -12.045 16.971 -5.120
2 H1N PFX 0 H1N PFX 0 -11.674 14.496 -4.654
3 H2N PFX 0 H2N PFX 0 -13.269 15.045 -4.858
4 H3N PFX 0 H3N PFX 0 -12.666 14.739 -3.300
5 H1B PFX 0 1HB PFX 0 -13.070 18.223 -3.533
6 H2B PFX 0 2HB PFX 0 -12.265 17.369 -2.216
7 HD1 PFX 0 HD1 PFX 0 -13.635 16.143 -0.795
8 HD2 PFX 0 HD2 PFX 0 -14.794 16.633 -4.898
9 HE1 PFX 0 HE1 PFX 0 -15.711 14.863 -0.361
10 HE2 PFX 0 HE2 PFX 0 -16.870 15.354 -4.467
11 HNH PFX 0 HNH PFX 0 -10.033 14.988 -4.926
12 H11 PFX 0 1HNH PFX 0 -8.509 15.535 -2.471
13 H21 PFX 0 2HNH PFX 0 -7.666 15.612 -4.016
14 H12 PFX 0 1H2 PFX 0 -8.098 13.288 -4.458
15 H22 PFX 0 2H2 PFX 0 -9.212 13.176 -3.097
16 H14 PFX 0 1H4 PFX 0 -6.156 11.534 -2.171
17 H24 PFX 0 2H4 PFX 0 -7.646 11.323 -3.090
18 H15 PFX 0 1H5 PFX 0 -8.803 12.257 -0.935
19 H25 PFX 0 2H5 PFX 0 -7.297 11.801 -0.139
20 H17 PFX 0 1H7 PFX 0 -10.411 9.967 -0.515
21 H27 PFX 0 2H7 PFX 0 -9.494 10.848 0.708
22 H ARG 1 H ARG 1 -8.805 7.767 -0.923
23 HA ARG 1 HA ARG 1 -8.446 6.558 1.755
24 HB2 ARG 1 2HB ARG 1 -10.158 5.694 -0.251
25 HB3 ARG 1 1HB ARG 1 -8.744 4.658 -0.440
26 HG2 ARG 1 2HG ARG 1 -8.861 3.948 1.858
27 HG3 ARG 1 1HG ARG 1 -10.098 5.151 2.223
28 HD2 ARG 1 2HD ARG 1 -11.770 3.902 1.308
29 HD3 ARG 1 1HD ARG 1 -10.750 3.316 -0.002
30 HE ARG 1 HE ARG 1 -10.094 2.212 2.597
31 HH11 ARG 1 1HH2 ARG 1 -12.007 1.970 -0.276
32 HH12 ARG 1 2HH2 ARG 1 -12.277 0.266 -0.118
33 HH21 ARG 1 1HH1 ARG 1 -10.447 -0.022 2.812
34 HH22 ARG 1 2HH1 ARG 1 -11.397 -0.860 1.631
35 H SER 2 H SER 2 -6.438 5.891 2.226
36 HA SER 2 HA SER 2 -4.489 5.714 0.008
37 HB2 SER 2 2HB SER 2 -4.358 7.388 2.149
38 HB3 SER 2 1HB SER 2 -3.466 5.999 2.760
39 HG SER 2 HG SER 2 -2.557 6.227 0.399
40 H CYS 3 H CYS 3 -6.174 3.960 2.312
41 HA CYS 3 HA CYS 3 -4.156 1.806 2.323
42 HB2 CYS 3 2HB CYS 3 -6.484 2.267 4.202
43 HB3 CYS 3 1HB CYS 3 -5.320 0.945 4.310
44 H ILE 4 H ILE 4 -4.625 0.714 0.454
45 HA ILE 4 HA ILE 4 -7.274 -0.574 0.349
46 HB ILE 4 HB ILE 4 -6.501 -0.150 -2.323
47 HG12 ILE 4 2HG1 ILE 4 -6.371 2.421 -0.715
48 HG13 ILE 4 1HG1 ILE 4 -4.960 1.609 -1.394
49 HG21 ILE 4 1HG2 ILE 4 -8.530 1.310 -2.325
50 HG22 ILE 4 2HG2 ILE 4 -8.550 1.231 -0.563
51 HG23 ILE 4 31HG ILE 4 -8.802 -0.232 -1.514
52 HD11 ILE 4 3HD1 ILE 4 -7.181 3.045 -2.801
53 HD12 ILE 4 1HD1 ILE 4 -6.380 1.708 -3.626
54 HD13 ILE 4 2HD1 ILE 4 -5.443 3.106 -3.100
55 H ASP 5 H ASP 5 -6.886 -1.939 -2.036
56 HA ASP 5 HA ASP 5 -4.392 -3.384 -2.007
57 HB2 ASP 5 2HB ASP 5 -5.485 -5.587 -1.493
58 HB3 ASP 5 1HB ASP 5 -5.397 -4.490 -0.116
59 H THR 6 H THR 6 -4.462 -5.219 -3.615
60 HA THR 6 HA THR 6 -6.529 -4.814 -5.682
61 HB THR 6 HB THR 6 -4.559 -5.172 -7.344
62 HG1 THR 6 1HG THR 6 -3.224 -4.130 -5.070
63 HG21 THR 6 31HG THR 6 -5.907 -3.090 -7.077
64 HG22 THR 6 1HG2 THR 6 -4.220 -2.763 -7.478
65 HG23 THR 6 2HG2 THR 6 -4.787 -2.564 -5.821
66 H ILE 7 H ILE 7 -5.042 -6.904 -3.637
67 HA ILE 7 HA ILE 7 -5.906 -9.219 -5.205
68 HB ILE 7 HB ILE 7 -3.767 -10.417 -4.571
69 HG12 ILE 7 2HG1 ILE 7 -2.637 -7.643 -4.278
70 HG13 ILE 7 1HG1 ILE 7 -3.221 -8.532 -2.871
71 HG21 ILE 7 1HG2 ILE 7 -4.383 -8.907 -6.780
72 HG22 ILE 7 2HG2 ILE 7 -2.950 -9.924 -6.635
73 HG23 ILE 7 31HG ILE 7 -2.846 -8.200 -6.279
74 HD11 ILE 7 3HD1 ILE 7 -0.973 -9.160 -2.910
75 HD12 ILE 7 1HD1 ILE 7 -0.897 -9.150 -4.672
76 HD13 ILE 7 2HD1 ILE 7 -1.714 -10.468 -3.832
77 HA PRO 8 HA PRO 8 -7.691 -10.703 -1.467
78 HB2 PRO 8 2HB PRO 8 -6.119 -13.197 -1.974
79 HB3 PRO 8 1HB PRO 8 -7.848 -13.003 -1.629
80 HG2 PRO 8 2HG PRO 8 -6.897 -13.482 -4.102
81 HG3 PRO 8 1HG PRO 8 -8.369 -12.549 -3.796
82 HD2 PRO 8 2HD PRO 8 -5.754 -11.611 -4.780
83 HD3 PRO 8 1HD PRO 8 -7.340 -10.814 -4.858
84 H LYS 9 H LYS 9 -7.118 -10.491 0.642
85 HA LYS 9 HA LYS 9 -4.549 -9.754 1.451
86 HB2 LYS 9 2HB LYS 9 -6.952 -10.765 2.956
87 HB3 LYS 9 1HB LYS 9 -5.446 -10.380 3.790
88 HG2 LYS 9 2HG LYS 9 -5.684 -8.133 3.462
89 HG3 LYS 9 1HG LYS 9 -6.395 -8.340 1.862
90 HD2 LYS 9 2HD LYS 9 -8.129 -7.477 3.287
91 HD3 LYS 9 1HD LYS 9 -8.490 -9.182 3.016
92 HE2 LYS 9 2HE LYS 9 -8.767 -8.817 5.364
93 HE3 LYS 9 1HE LYS 9 -7.229 -9.661 5.180
94 HZ1 LYS 9 3HZ LYS 9 -6.166 -7.952 6.069
95 HZ2 LYS 9 1HZ LYS 9 -7.661 -7.231 6.414
96 HZ3 LYS 9 2HZ LYS 9 -6.858 -6.864 4.963
97 H SER 10 H SER 10 -5.853 -12.879 0.860
98 HA SER 10 HA SER 10 -4.171 -14.393 2.590
99 HB2 SER 10 2HB SER 10 -5.069 -16.273 1.562
100 HB3 SER 10 1HB SER 10 -6.336 -15.082 1.283
101 HG SER 10 HG SER 10 -5.961 -15.895 -0.692
102 H ARG 11 H ARG 11 -3.136 -12.335 0.406
103 HA ARG 11 HA ARG 11 -1.088 -14.104 -0.771
104 HB2 ARG 11 2HB ARG 11 -2.544 -11.778 -1.726
105 HB3 ARG 11 1HB ARG 11 -0.800 -11.558 -1.877
106 HG2 ARG 11 2HG ARG 11 -2.170 -14.095 -2.778
107 HG3 ARG 11 1HG ARG 11 -1.988 -12.703 -3.846
108 HD2 ARG 11 2HD ARG 11 0.155 -13.232 -4.251
109 HD3 ARG 11 1HD ARG 11 0.519 -13.252 -2.531
110 HE ARG 11 HE ARG 11 -0.393 -15.616 -2.586
111 HH11 ARG 11 1HH2 ARG 11 0.964 -14.064 -5.382
112 HH12 ARG 11 2HH2 ARG 11 1.424 -15.548 -6.140
113 HH21 ARG 11 1HH1 ARG 11 0.208 -17.550 -3.589
114 HH22 ARG 11 2HH1 ARG 11 0.999 -17.517 -5.129
115 H CYS 12 H CYS 12 -1.593 -11.348 1.321
116 HA CYS 12 HA CYS 12 1.119 -10.490 1.441
117 HB2 CYS 12 2HB CYS 12 -1.174 -9.370 2.241
118 HB3 CYS 12 1HB CYS 12 -0.672 -10.072 3.780
119 H THR 13 H THR 13 2.552 -12.090 1.898
120 HA THR 13 HA THR 13 2.184 -13.540 4.452
121 HB THR 13 HB THR 13 3.392 -15.359 3.568
122 HG1 THR 13 1HG THR 13 4.355 -14.999 1.369
123 HG21 THR 13 31HG THR 13 1.753 -16.007 2.174
124 HG22 THR 13 1HG2 THR 13 2.309 -14.885 0.932
125 HG23 THR 13 2HG2 THR 13 1.171 -14.343 2.166
126 H ALA 14 H ALA 14 3.885 -13.592 5.919
127 HA ALA 14 HA ALA 14 5.517 -11.369 6.189
128 HB1 ALA 14 1HB ALA 14 5.150 -12.826 8.071
129 HB2 ALA 14 2HB ALA 14 6.881 -12.814 7.740
130 HB3 ALA 14 3HB ALA 14 5.897 -14.185 7.232
131 H PHE 15 H PHE 15 5.699 -13.657 3.814
132 HA PHE 15 HA PHE 15 8.614 -13.425 3.483
133 HB2 PHE 15 2HB PHE 15 8.416 -15.603 2.972
134 HB3 PHE 15 1HB PHE 15 6.658 -15.495 2.945
135 HD1 PHE 15 2HD PHE 15 9.549 -14.292 0.863
136 HD2 PHE 15 1HD PHE 15 5.637 -16.061 0.936
137 HE1 PHE 15 2HE PHE 15 9.580 -14.457 -1.611
138 HE2 PHE 15 1HE PHE 15 5.665 -16.226 -1.539
139 HZ PHE 15 HZ PHE 15 7.638 -15.424 -2.813
140 H GLN 16 H GLN 16 5.546 -12.498 2.096
141 HA GLN 16 HA GLN 16 6.725 -11.582 -0.395
142 HB2 GLN 16 2HB GLN 16 3.958 -11.574 0.779
143 HB3 GLN 16 1HB GLN 16 4.333 -10.584 -0.632
144 HG2 GLN 16 2HG GLN 16 4.828 -13.568 -0.426
145 HG3 GLN 16 1HG GLN 16 3.469 -12.827 -1.271
146 HE21 GLN 16 1HE2 GLN 16 4.037 -11.388 -3.162
147 HE22 GLN 16 2HE2 GLN 16 5.475 -11.686 -4.013
148 H CYS 17 H CYS 17 5.473 -10.173 2.604
149 HA CYS 17 HA CYS 17 5.709 -7.456 1.811
150 HB2 CYS 17 2HB CYS 17 5.037 -8.919 4.214
151 HB3 CYS 17 1HB CYS 17 6.111 -7.572 4.593
152 H LYS 18 H LYS 18 8.042 -9.724 2.052
153 HA LYS 18 HA LYS 18 10.120 -7.767 2.849
154 HB2 LYS 18 2HB LYS 18 9.769 -10.673 3.427
155 HB3 LYS 18 1HB LYS 18 11.408 -10.096 3.144
156 HG2 LYS 18 2HG LYS 18 9.924 -8.316 4.915
157 HG3 LYS 18 1HG LYS 18 10.008 -9.958 5.545
158 HD2 LYS 18 2HD LYS 18 11.958 -8.709 6.314
159 HD3 LYS 18 1HD LYS 18 12.473 -9.943 5.165
160 HE2 LYS 18 2HE LYS 18 12.701 -8.338 3.403
161 HE3 LYS 18 1HE LYS 18 11.878 -7.093 4.343
162 HZ1 LYS 18 3HZ LYS 18 14.206 -6.691 4.455
163 HZ2 LYS 18 1HZ LYS 18 14.533 -8.295 4.896
164 HZ3 LYS 18 2HZ LYS 18 13.718 -7.268 5.976
165 H HIS 19 H HIS 19 9.252 -10.434 0.713
166 HA HIS 19 HA HIS 19 11.615 -10.048 -0.933
167 HB2 HIS 19 2HB HIS 19 9.233 -11.884 -1.246
168 HB3 HIS 19 1HB HIS 19 10.696 -11.930 -2.233
169 HD1 HIS 19 1HD HIS 19 10.363 -11.558 1.548
170 HD2 HIS 19 2HD HIS 19 12.031 -14.153 -1.256
171 HE1 HIS 19 1HE HIS 19 11.651 -13.298 2.861
172 HE2 HIS 19 2HE HIS 19 12.677 -14.886 1.165
173 H SER 20 H SER 20 8.163 -9.367 -1.038
174 HA SER 20 HA SER 20 8.512 -8.116 -3.688
175 HB2 SER 20 2HB SER 20 6.007 -8.170 -3.765
176 HB3 SER 20 1HB SER 20 6.752 -9.764 -3.685
177 HG SER 20 HG SER 20 5.381 -9.935 -2.068
178 H NLE 21 H NLE 21 8.543 -5.968 -3.821
179 HA NLE 21 HA NLE 21 8.125 -4.366 -1.448
180 HB2 NLE 21 1HB NLE 21 8.579 -3.178 -4.155
181 HB3 NLE 21 2HB NLE 21 9.886 -4.073 -3.380
182 HG2 NLE 21 1HG NLE 21 9.755 -2.627 -1.415
183 HG3 NLE 21 2HG NLE 21 8.361 -1.786 -2.094
184 HD2 NLE 21 1HD NLE 21 9.860 -1.207 -4.083
185 HD3 NLE 21 2HD NLE 21 11.214 -1.774 -3.104
186 HE1 NLE 21 3HE NLE 21 10.404 -0.165 -1.297
187 HE2 NLE 21 1HE NLE 21 9.330 0.519 -2.516
188 HE3 NLE 21 2HE NLE 21 11.078 0.588 -2.742
189 H LYS 22 H LYS 22 6.404 -5.050 -4.436
190 HA LYS 22 HA LYS 22 4.583 -2.880 -4.312
191 HB2 LYS 22 2HB LYS 22 3.871 -5.559 -5.469
192 HB3 LYS 22 1HB LYS 22 3.386 -3.956 -6.017
193 HG2 LYS 22 2HG LYS 22 5.105 -3.998 -7.469
194 HG3 LYS 22 1HG LYS 22 6.205 -3.959 -6.090
195 HD2 LYS 22 2HD LYS 22 6.378 -6.324 -6.020
196 HD3 LYS 22 1HD LYS 22 4.974 -6.540 -7.066
197 HE2 LYS 22 2HE LYS 22 6.281 -6.475 -8.895
198 HE3 LYS 22 1HE LYS 22 6.916 -4.900 -8.419
199 HZ1 LYS 22 3HZ LYS 22 8.526 -6.872 -8.620
200 HZ2 LYS 22 1HZ LYS 22 7.892 -7.363 -7.125
201 HZ3 LYS 22 2HZ LYS 22 8.659 -5.853 -7.267
202 H TYR 23 H TYR 23 5.042 -4.668 -1.856
203 HA TYR 23 HA TYR 23 2.210 -5.329 -1.325
204 HB2 TYR 23 2HB TYR 23 4.790 -6.412 -0.207
205 HB3 TYR 23 1HB TYR 23 3.249 -6.654 0.617
206 HD1 TYR 23 1HD TYR 23 4.514 -6.790 -2.923
207 HD2 TYR 23 2HD TYR 23 2.208 -8.679 0.170
208 HE1 TYR 23 1HE TYR 23 3.983 -8.662 -4.461
209 HE2 TYR 23 2HE TYR 23 1.676 -10.549 -1.368
210 HH TYR 23 HH TYR 23 2.361 -11.557 -3.337
211 H ARG 24 H ARG 24 5.117 -3.966 0.215
212 HA ARG 24 HA ARG 24 3.782 -2.982 2.515
213 HB2 ARG 24 2HB ARG 24 6.451 -2.605 1.253
214 HB3 ARG 24 1HB ARG 24 5.929 -1.406 2.436
215 HG2 ARG 24 2HG ARG 24 5.461 -3.229 4.054
216 HG3 ARG 24 1HG ARG 24 6.053 -4.403 2.877
217 HD2 ARG 24 2HD ARG 24 7.577 -2.348 4.434
218 HD3 ARG 24 1HD ARG 24 7.978 -4.035 4.125
219 HE ARG 24 HE ARG 24 8.473 -1.772 2.335
220 HH11 ARG 24 1HH2 ARG 24 8.413 -5.186 2.892
221 HH12 ARG 24 2HH2 ARG 24 9.463 -5.560 1.567
222 HH21 ARG 24 1HH1 ARG 24 9.850 -2.256 0.593
223 HH22 ARG 24 2HH1 ARG 24 10.274 -3.902 0.264
224 H LEU 25 H LEU 25 3.534 -1.965 -0.669
225 HA LEU 25 HA LEU 25 2.152 0.434 0.123
226 HB2 LEU 25 2HB LEU 25 3.647 1.855 -1.447
227 HB3 LEU 25 1HB LEU 25 4.218 1.520 0.187
228 HG LEU 25 HG LEU 25 5.347 -0.576 -0.921
229 HD11 LEU 25 1HD1 LEU 25 4.808 1.253 -3.271
230 HD12 LEU 25 2HD1 LEU 25 4.376 -0.449 -3.112
231 HD13 LEU 25 3HD1 LEU 25 6.068 0.020 -3.284
232 HD21 LEU 25 31HD LEU 25 6.873 0.918 -0.051
233 HD22 LEU 25 1HD2 LEU 25 6.173 2.292 -0.907
234 HD23 LEU 25 2HD2 LEU 25 7.207 1.150 -1.768
235 H SER 26 H SER 26 1.290 -1.845 -1.239
236 HA SER 26 HA SER 26 0.219 -0.618 -3.615
237 HB2 SER 26 2HB SER 26 2.541 -2.297 -3.844
238 HB3 SER 26 1HB SER 26 1.173 -3.056 -4.652
239 HG SER 26 HG SER 26 0.893 -1.193 -5.851
240 H PHE 27 H PHE 27 0.783 -3.890 -2.275
241 HA PHE 27 HA PHE 27 -2.068 -4.476 -2.709
242 HB2 PHE 27 2HB PHE 27 0.016 -6.474 -1.862
243 HB3 PHE 27 1HB PHE 27 -1.506 -6.759 -2.688
244 HD1 PHE 27 1HD PHE 27 -1.165 -4.345 -4.653
245 HD2 PHE 27 2HD PHE 27 1.402 -7.599 -3.516
246 HE1 PHE 27 1HE PHE 27 -0.001 -4.190 -6.831
247 HE2 PHE 27 2HE PHE 27 2.563 -7.440 -5.697
248 HZ PHE 27 HZ PHE 27 1.862 -5.736 -7.355
249 H CYS 28 H CYS 28 0.420 -4.576 -0.169
250 HA CYS 28 HA CYS 28 -1.686 -5.078 1.828
251 HB2 CYS 28 2HB CYS 28 1.306 -5.002 2.267
252 HB3 CYS 28 1HB CYS 28 0.077 -5.639 3.358
253 H ARG 29 H ARG 29 -2.340 -2.775 1.170
254 HA ARG 29 HA ARG 29 -0.707 -0.636 2.209
255 HB2 ARG 29 2HB ARG 29 -3.608 -0.493 1.390
256 HB3 ARG 29 1HB ARG 29 -2.443 0.822 1.454
257 HG2 ARG 29 2HG ARG 29 -1.708 -1.490 -0.262
258 HG3 ARG 29 1HG ARG 29 -3.045 -0.492 -0.833
259 HD2 ARG 29 2HD ARG 29 -0.415 0.075 -1.297
260 HD3 ARG 29 1HD ARG 29 -1.690 1.289 -1.268
261 HE ARG 29 HE ARG 29 -0.552 0.749 1.332
262 HH11 ARG 29 1HH2 ARG 29 -0.256 2.520 -1.624
263 HH12 ARG 29 2HH2 ARG 29 0.595 3.843 -0.900
264 HH21 ARG 29 1HH1 ARG 29 0.538 2.472 2.288
265 HH22 ARG 29 2HH1 ARG 29 1.046 3.817 1.319
266 H LYS 30 H LYS 30 -2.001 -2.894 3.934
267 HA LYS 30 HA LYS 30 -2.489 -1.186 6.200
268 HB2 LYS 30 2HB LYS 30 -4.769 -2.644 6.474
269 HB3 LYS 30 1HB LYS 30 -4.717 -0.992 5.871
270 HG2 LYS 30 2HG LYS 30 -5.977 -2.078 4.231
271 HG3 LYS 30 1HG LYS 30 -4.367 -2.141 3.530
272 HD2 LYS 30 2HD LYS 30 -4.058 -4.416 4.248
273 HD3 LYS 30 1HD LYS 30 -5.516 -4.358 5.237
274 HE2 LYS 30 2HE LYS 30 -6.938 -4.340 3.354
275 HE3 LYS 30 1HE LYS 30 -5.634 -3.864 2.266
276 HZ1 LYS 30 3HZ LYS 30 -6.335 -6.274 2.207
277 HZ2 LYS 30 1HZ LYS 30 -5.605 -6.435 3.729
278 HZ3 LYS 30 2HZ LYS 30 -4.672 -5.978 2.384
279 H THR 31 H THR 31 -2.485 -4.387 4.780
280 HA THR 31 HA THR 31 -2.503 -5.871 7.190
281 HB THR 31 HB THR 31 -0.985 -7.023 4.942
282 HG1 THR 31 1HG THR 31 -3.667 -6.895 4.409
283 HG21 THR 31 31HG THR 31 -2.369 -8.909 5.410
284 HG22 THR 31 1HG2 THR 31 -3.565 -7.913 6.239
285 HG23 THR 31 2HG2 THR 31 -1.988 -8.196 6.978
286 H CYS 32 H CYS 32 0.149 -4.658 5.152
287 HA CYS 32 HA CYS 32 2.192 -5.721 6.878
288 HB2 CYS 32 2HB CYS 32 2.144 -4.792 4.284
289 HB3 CYS 32 1HB CYS 32 2.978 -3.497 5.143
290 H GLY 33 H GLY 33 0.028 -3.335 7.369
291 HA2 GLY 33 2HA GLY 33 -0.112 -1.700 8.990
292 HA3 GLY 33 1HA GLY 33 1.477 -2.204 9.557
293 H THR 34 H THR 34 0.957 -1.285 6.226
294 HA THR 34 HA THR 34 2.857 0.908 6.558
295 HB THR 34 HB THR 34 3.103 -0.640 4.653
296 HG1 THR 34 1HG THR 34 2.893 2.044 4.537
297 HG21 THR 34 31HG THR 34 0.551 -0.930 4.447
298 HG22 THR 34 1HG2 THR 34 1.475 -0.840 2.947
299 HG23 THR 34 2HG2 THR 34 0.582 0.570 3.519
300 H CYS 35 H CYS 35 -0.487 0.435 5.475
301 HA CYS 35 HA CYS 35 -2.014 2.089 4.776
302 HB2 CYS 35 2HB CYS 35 -1.718 1.536 7.520
303 HB3 CYS 35 1HB CYS 35 -2.023 3.257 7.391
304 HN1 NH2 36 H2 NH2 36 -1.053 5.691 5.671
305 HN2 NH2 36 H1 NH2 36 -2.207 4.672 6.381
Start of MODEL 10
1 HA PFX 0 HA PFX 0 -18.295 9.363 -7.334
2 H1N PFX 0 H1N PFX 0 -19.801 7.555 -6.343
3 H2N PFX 0 H2N PFX 0 -20.527 8.906 -7.074
4 H3N PFX 0 H3N PFX 0 -20.431 8.804 -5.382
5 H1B PFX 0 1HB PFX 0 -19.464 11.249 -6.277
6 H2B PFX 0 2HB PFX 0 -17.803 11.158 -5.692
7 HD1 PFX 0 HD1 PFX 0 -17.336 10.841 -3.385
8 HD2 PFX 0 HD2 PFX 0 -21.317 10.230 -4.868
9 HE1 PFX 0 HE1 PFX 0 -18.173 10.649 -1.061
10 HE2 PFX 0 HE2 PFX 0 -22.154 10.038 -2.548
11 HNH PFX 0 HNH PFX 0 -16.269 8.125 -6.972
12 H11 PFX 0 1HNH PFX 0 -16.258 5.792 -6.851
13 H21 PFX 0 2HNH PFX 0 -17.541 5.873 -5.647
14 H12 PFX 0 1H2 PFX 0 -14.869 5.319 -5.134
15 H22 PFX 0 2H2 PFX 0 -16.068 5.805 -3.935
16 H14 PFX 0 1H4 PFX 0 -13.991 6.615 -2.866
17 H24 PFX 0 2H4 PFX 0 -15.377 7.681 -2.642
18 H15 PFX 0 1H5 PFX 0 -13.947 9.391 -2.342
19 H25 PFX 0 2H5 PFX 0 -13.435 9.205 -4.019
20 H17 PFX 0 1H7 PFX 0 -12.140 8.997 -0.684
21 H27 PFX 0 2H7 PFX 0 -11.770 10.155 -1.962
22 H ARG 1 H ARG 1 -10.690 7.066 -0.692
23 HA ARG 1 HA ARG 1 -8.556 8.451 0.603
24 HB2 ARG 1 2HB ARG 1 -9.609 5.654 0.589
25 HB3 ARG 1 1HB ARG 1 -8.010 5.949 1.266
26 HG2 ARG 1 2HG ARG 1 -10.288 7.729 2.073
27 HG3 ARG 1 1HG ARG 1 -10.156 6.128 2.798
28 HD2 ARG 1 2HD ARG 1 -8.820 8.416 3.644
29 HD3 ARG 1 1HD ARG 1 -8.435 6.763 4.104
30 HE ARG 1 HE ARG 1 -7.180 8.130 1.790
31 HH11 ARG 1 1HH2 ARG 1 -7.067 6.050 4.577
32 HH12 ARG 1 2HH2 ARG 1 -5.393 5.665 4.376
33 HH21 ARG 1 1HH1 ARG 1 -4.994 7.614 1.543
34 HH22 ARG 1 2HH1 ARG 1 -4.224 6.546 2.666
35 H SER 2 H SER 2 -6.469 6.694 0.699
36 HA SER 2 HA SER 2 -5.551 6.411 -2.091
37 HB2 SER 2 2HB SER 2 -4.627 8.358 -0.251
38 HB3 SER 2 1HB SER 2 -3.355 7.148 -0.391
39 HG SER 2 HG SER 2 -4.475 8.832 -2.327
40 H CYS 3 H CYS 3 -6.514 4.579 0.096
41 HA CYS 3 HA CYS 3 -4.210 2.740 0.027
42 HB2 CYS 3 2HB CYS 3 -5.790 3.645 2.412
43 HB3 CYS 3 1HB CYS 3 -5.112 2.017 2.379
44 H ILE 4 H ILE 4 -4.983 1.238 -1.362
45 HA ILE 4 HA ILE 4 -7.273 -0.336 -0.541
46 HB ILE 4 HB ILE 4 -7.946 0.060 -3.185
47 HG12 ILE 4 2HG1 ILE 4 -7.530 2.814 -2.027
48 HG13 ILE 4 1HG1 ILE 4 -6.261 2.044 -2.980
49 HG21 ILE 4 1HG2 ILE 4 -8.972 1.396 -0.664
50 HG22 ILE 4 2HG2 ILE 4 -9.543 -0.117 -1.370
51 HG23 ILE 4 31HG ILE 4 -9.832 1.411 -2.204
52 HD11 ILE 4 3HD1 ILE 4 -7.453 2.186 -4.934
53 HD12 ILE 4 1HD1 ILE 4 -8.209 3.541 -4.096
54 HD13 ILE 4 2HD1 ILE 4 -9.004 1.967 -4.125
55 H ASP 5 H ASP 5 -7.059 -2.413 -1.159
56 HA ASP 5 HA ASP 5 -4.857 -3.052 -3.026
57 HB2 ASP 5 2HB ASP 5 -4.562 -5.114 -1.846
58 HB3 ASP 5 1HB ASP 5 -4.663 -3.843 -0.628
59 H THR 6 H THR 6 -5.169 -4.884 -4.447
60 HA THR 6 HA THR 6 -8.022 -5.387 -5.051
61 HB THR 6 HB THR 6 -7.288 -5.621 -7.438
62 HG1 THR 6 1HG THR 6 -5.176 -4.362 -7.667
63 HG21 THR 6 31HG THR 6 -8.145 -3.459 -6.217
64 HG22 THR 6 1HG2 THR 6 -7.491 -3.334 -7.850
65 HG23 THR 6 2HG2 THR 6 -6.492 -2.896 -6.464
66 H ILE 7 H ILE 7 -5.814 -6.860 -3.490
67 HA ILE 7 HA ILE 7 -6.336 -9.468 -4.747
68 HB ILE 7 HB ILE 7 -4.023 -10.176 -4.345
69 HG12 ILE 7 2HG1 ILE 7 -2.883 -7.532 -3.958
70 HG13 ILE 7 1HG1 ILE 7 -3.984 -7.939 -2.641
71 HG21 ILE 7 1HG2 ILE 7 -4.802 -8.945 -6.481
72 HG22 ILE 7 2HG2 ILE 7 -3.066 -9.068 -6.200
73 HG23 ILE 7 31HG ILE 7 -3.910 -7.561 -5.847
74 HD11 ILE 7 3HD1 ILE 7 -1.920 -9.910 -3.616
75 HD12 ILE 7 1HD1 ILE 7 -2.773 -9.887 -2.072
76 HD13 ILE 7 2HD1 ILE 7 -1.522 -8.691 -2.406
77 HA PRO 8 HA PRO 8 -7.415 -10.645 -0.647
78 HB2 PRO 8 2HB PRO 8 -6.829 -13.336 -0.774
79 HB3 PRO 8 1HB PRO 8 -8.284 -12.599 -1.469
80 HG2 PRO 8 2HG PRO 8 -5.773 -13.452 -2.800
81 HG3 PRO 8 1HG PRO 8 -7.444 -13.522 -3.382
82 HD2 PRO 8 2HD PRO 8 -5.653 -11.622 -4.204
83 HD3 PRO 8 1HD PRO 8 -7.407 -11.349 -4.157
84 H LYS 9 H LYS 9 -6.418 -10.615 1.299
85 HA LYS 9 HA LYS 9 -3.671 -10.296 1.598
86 HB2 LYS 9 2HB LYS 9 -4.050 -10.556 3.988
87 HB3 LYS 9 1HB LYS 9 -5.371 -9.626 3.281
88 HG2 LYS 9 2HG LYS 9 -6.292 -12.198 3.006
89 HG3 LYS 9 1HG LYS 9 -5.413 -12.294 4.531
90 HD2 LYS 9 2HD LYS 9 -7.517 -11.587 5.255
91 HD3 LYS 9 1HD LYS 9 -6.673 -10.048 5.072
92 HE2 LYS 9 2HE LYS 9 -7.724 -9.598 2.988
93 HE3 LYS 9 1HE LYS 9 -8.274 -11.265 2.817
94 HZ1 LYS 9 3HZ LYS 9 -9.217 -9.279 4.810
95 HZ2 LYS 9 1HZ LYS 9 -9.666 -10.915 4.807
96 HZ3 LYS 9 2HZ LYS 9 -10.102 -9.915 3.506
97 H SER 10 H SER 10 -5.435 -13.152 1.042
98 HA SER 10 HA SER 10 -4.030 -15.108 2.427
99 HB2 SER 10 2HB SER 10 -5.037 -15.352 -0.414
100 HB3 SER 10 1HB SER 10 -4.780 -16.659 0.738
101 HG SER 10 HG SER 10 -6.578 -16.135 1.737
102 H ARG 11 H ARG 11 -3.102 -13.256 -0.396
103 HA ARG 11 HA ARG 11 -0.742 -14.912 -0.865
104 HB2 ARG 11 2HB ARG 11 -2.200 -12.814 -2.333
105 HB3 ARG 11 1HB ARG 11 -0.445 -12.745 -2.495
106 HG2 ARG 11 2HG ARG 11 -2.085 -15.258 -2.919
107 HG3 ARG 11 1HG ARG 11 -1.549 -14.196 -4.222
108 HD2 ARG 11 2HD ARG 11 0.783 -14.596 -2.830
109 HD3 ARG 11 1HD ARG 11 -0.016 -16.154 -2.645
110 HE ARG 11 HE ARG 11 1.162 -15.143 -5.038
111 HH11 ARG 11 1HH2 ARG 11 -1.517 -16.946 -3.792
112 HH12 ARG 11 2HH2 ARG 11 -1.743 -17.871 -5.239
113 HH21 ARG 11 1HH1 ARG 11 0.873 -16.360 -6.937
114 HH22 ARG 11 2HH1 ARG 11 -0.392 -17.540 -7.017
115 H CYS 12 H CYS 12 -1.655 -12.117 0.894
116 HA CYS 12 HA CYS 12 0.973 -10.914 0.966
117 HB2 CYS 12 2HB CYS 12 -1.469 -9.880 1.373
118 HB3 CYS 12 1HB CYS 12 -1.053 -10.260 3.045
119 H THR 13 H THR 13 2.338 -12.549 1.719
120 HA THR 13 HA THR 13 1.859 -13.487 4.478
121 HB THR 13 HB THR 13 3.081 -15.403 3.990
122 HG1 THR 13 1HG THR 13 4.947 -14.816 3.170
123 HG21 THR 13 31HG THR 13 1.047 -15.443 2.671
124 HG22 THR 13 1HG2 THR 13 2.346 -16.167 1.723
125 HG23 THR 13 2HG2 THR 13 1.820 -14.517 1.384
126 H ALA 14 H ALA 14 3.859 -13.773 5.799
127 HA ALA 14 HA ALA 14 5.203 -11.328 6.134
128 HB1 ALA 14 1HB ALA 14 5.653 -14.114 7.167
129 HB2 ALA 14 2HB ALA 14 5.156 -12.668 8.048
130 HB3 ALA 14 3HB ALA 14 6.826 -12.840 7.506
131 H PHE 15 H PHE 15 5.564 -13.614 3.752
132 HA PHE 15 HA PHE 15 8.430 -13.098 3.350
133 HB2 PHE 15 2HB PHE 15 8.396 -15.265 2.757
134 HB3 PHE 15 1HB PHE 15 6.635 -15.298 2.763
135 HD1 PHE 15 2HD PHE 15 9.602 -14.373 0.703
136 HD2 PHE 15 1HD PHE 15 5.404 -15.278 0.731
137 HE1 PHE 15 2HE PHE 15 9.602 -14.446 -1.775
138 HE2 PHE 15 1HE PHE 15 5.403 -15.351 -1.749
139 HZ PHE 15 HZ PHE 15 7.503 -14.935 -3.001
140 H GLN 16 H GLN 16 5.336 -12.941 1.584
141 HA GLN 16 HA GLN 16 6.336 -11.665 -0.718
142 HB2 GLN 16 2HB GLN 16 4.012 -12.784 -0.181
143 HB3 GLN 16 1HB GLN 16 3.565 -11.140 0.278
144 HG2 GLN 16 2HG GLN 16 3.032 -11.505 -2.068
145 HG3 GLN 16 1HG GLN 16 4.345 -10.339 -1.937
146 HE21 GLN 16 1HE2 GLN 16 6.185 -10.796 -3.162
147 HE22 GLN 16 2HE2 GLN 16 6.548 -12.313 -3.829
148 H CYS 17 H CYS 17 5.439 -10.483 2.433
149 HA CYS 17 HA CYS 17 5.538 -7.694 1.541
150 HB2 CYS 17 2HB CYS 17 4.014 -8.983 3.445
151 HB3 CYS 17 1HB CYS 17 5.250 -8.176 4.411
152 H LYS 18 H LYS 18 7.867 -9.717 1.882
153 HA LYS 18 HA LYS 18 9.596 -7.849 3.381
154 HB2 LYS 18 2HB LYS 18 9.131 -9.904 4.721
155 HB3 LYS 18 1HB LYS 18 9.844 -10.865 3.424
156 HG2 LYS 18 2HG LYS 18 11.967 -9.630 3.671
157 HG3 LYS 18 1HG LYS 18 11.258 -8.671 4.970
158 HD2 LYS 18 2HD LYS 18 10.715 -11.108 5.943
159 HD3 LYS 18 1HD LYS 18 12.132 -11.524 4.978
160 HE2 LYS 18 2HE LYS 18 11.939 -9.542 7.249
161 HE3 LYS 18 1HE LYS 18 13.008 -10.937 7.106
162 HZ1 LYS 18 3HZ LYS 18 14.107 -8.782 6.663
163 HZ2 LYS 18 1HZ LYS 18 13.104 -8.577 5.312
164 HZ3 LYS 18 2HZ LYS 18 14.205 -9.869 5.361
165 H HIS 19 H HIS 19 9.235 -10.221 0.815
166 HA HIS 19 HA HIS 19 11.905 -9.619 -0.230
167 HB2 HIS 19 2HB HIS 19 9.801 -11.534 -1.267
168 HB3 HIS 19 1HB HIS 19 11.474 -11.423 -1.814
169 HD1 HIS 19 1HD HIS 19 9.829 -11.708 1.628
170 HD2 HIS 19 2HD HIS 19 12.935 -13.402 -0.577
171 HE1 HIS 19 1HE HIS 19 10.918 -13.429 3.132
172 HE2 HIS 19 2HE HIS 19 12.818 -14.468 1.803
173 H SER 20 H SER 20 8.542 -8.936 -0.797
174 HA SER 20 HA SER 20 9.240 -7.509 -3.290
175 HB2 SER 20 2HB SER 20 6.901 -9.078 -2.445
176 HB3 SER 20 1HB SER 20 6.502 -7.543 -3.210
177 HG SER 20 HG SER 20 8.277 -8.342 -4.759
178 H NLE 21 H NLE 21 8.975 -5.341 -3.400
179 HA NLE 21 HA NLE 21 8.195 -3.964 -0.941
180 HB2 NLE 21 1HB NLE 21 10.237 -3.500 -2.682
181 HB3 NLE 21 2HB NLE 21 9.579 -2.293 -1.582
182 HG2 NLE 21 1HG NLE 21 9.750 -1.443 -3.912
183 HG3 NLE 21 2HG NLE 21 8.083 -1.463 -3.339
184 HD2 NLE 21 1HD NLE 21 7.584 -2.670 -5.183
185 HD3 NLE 21 2HD NLE 21 8.473 -4.003 -4.449
186 HE1 NLE 21 3HE NLE 21 10.500 -3.383 -5.570
187 HE2 NLE 21 1HE NLE 21 9.821 -1.837 -6.079
188 HE3 NLE 21 2HE NLE 21 9.229 -3.338 -6.792
189 H LYS 22 H LYS 22 6.869 -4.772 -3.991
190 HA LYS 22 HA LYS 22 5.029 -2.565 -4.191
191 HB2 LYS 22 2HB LYS 22 3.865 -4.381 -5.752
192 HB3 LYS 22 1HB LYS 22 5.294 -3.492 -6.275
193 HG2 LYS 22 2HG LYS 22 6.700 -5.314 -5.994
194 HG3 LYS 22 1HG LYS 22 5.680 -6.039 -4.748
195 HD2 LYS 22 2HD LYS 22 4.340 -7.092 -6.267
196 HD3 LYS 22 1HD LYS 22 4.438 -5.765 -7.425
197 HE2 LYS 22 2HE LYS 22 5.630 -8.059 -7.950
198 HE3 LYS 22 1HE LYS 22 6.429 -6.538 -8.352
199 HZ1 LYS 22 3HZ LYS 22 7.842 -8.162 -7.135
200 HZ2 LYS 22 1HZ LYS 22 6.826 -7.977 -5.789
201 HZ3 LYS 22 2HZ LYS 22 7.710 -6.648 -6.374
202 H TYR 23 H TYR 23 5.227 -5.143 -2.106
203 HA TYR 23 HA TYR 23 2.313 -5.392 -1.806
204 HB2 TYR 23 2HB TYR 23 4.669 -6.997 -0.912
205 HB3 TYR 23 1HB TYR 23 3.198 -7.054 0.060
206 HD1 TYR 23 2HD TYR 23 4.213 -7.160 -3.555
207 HD2 TYR 23 1HD TYR 23 1.608 -8.659 -0.487
208 HE1 TYR 23 2HE TYR 23 3.198 -8.733 -5.184
209 HE2 TYR 23 1HE TYR 23 0.594 -10.231 -2.114
210 HH TYR 23 HH TYR 23 1.686 -11.316 -4.540
211 H ARG 24 H ARG 24 5.197 -4.196 -0.217
212 HA ARG 24 HA ARG 24 3.882 -3.600 2.274
213 HB2 ARG 24 2HB ARG 24 6.487 -2.437 1.297
214 HB3 ARG 24 1HB ARG 24 5.961 -2.688 2.963
215 HG2 ARG 24 2HG ARG 24 6.107 -5.078 2.732
216 HG3 ARG 24 1HG ARG 24 6.364 -4.951 0.992
217 HD2 ARG 24 2HD ARG 24 8.244 -4.125 3.209
218 HD3 ARG 24 1HD ARG 24 8.523 -5.320 1.945
219 HE ARG 24 HE ARG 24 8.119 -3.018 0.543
220 HH11 ARG 24 1HH2 ARG 24 10.119 -3.924 3.219
221 HH12 ARG 24 2HH2 ARG 24 11.390 -2.816 2.822
222 HH21 ARG 24 1HH1 ARG 24 9.783 -1.564 0.015
223 HH22 ARG 24 2HH1 ARG 24 11.200 -1.480 1.009
224 H LEU 25 H LEU 25 3.965 -2.074 -0.777
225 HA LEU 25 HA LEU 25 2.710 0.303 0.383
226 HB2 LEU 25 2HB LEU 25 4.707 0.932 -1.704
227 HB3 LEU 25 1HB LEU 25 4.254 1.839 -0.267
228 HG LEU 25 HG LEU 25 5.840 -0.727 -0.069
229 HD11 LEU 25 1HD1 LEU 25 6.796 2.082 -0.609
230 HD12 LEU 25 2HD1 LEU 25 7.224 0.599 -1.462
231 HD13 LEU 25 3HD1 LEU 25 7.823 0.881 0.173
232 HD21 LEU 25 31HD LEU 25 6.368 1.407 1.833
233 HD22 LEU 25 1HD2 LEU 25 5.841 -0.247 2.140
234 HD23 LEU 25 2HD2 LEU 25 4.651 1.009 1.795
235 H SER 26 H SER 26 1.596 -1.842 -1.208
236 HA SER 26 HA SER 26 0.398 -0.221 -3.272
237 HB2 SER 26 2HB SER 26 2.665 -1.670 -4.021
238 HB3 SER 26 1HB SER 26 1.303 -2.624 -4.599
239 HG SER 26 HG SER 26 1.944 -1.011 -6.098
240 H PHE 27 H PHE 27 0.870 -3.613 -2.287
241 HA PHE 27 HA PHE 27 -1.985 -4.070 -2.827
242 HB2 PHE 27 2HB PHE 27 0.286 -6.009 -2.382
243 HB3 PHE 27 1HB PHE 27 -1.392 -6.472 -2.678
244 HD1 PHE 27 1HD PHE 27 -2.531 -5.499 -4.799
245 HD2 PHE 27 2HD PHE 27 1.717 -5.569 -4.193
246 HE1 PHE 27 1HE PHE 27 -2.179 -5.226 -7.241
247 HE2 PHE 27 2HE PHE 27 2.072 -5.298 -6.633
248 HZ PHE 27 HZ PHE 27 0.122 -5.126 -8.157
249 H CYS 28 H CYS 28 0.377 -4.215 -0.195
250 HA CYS 28 HA CYS 28 -1.850 -4.926 1.609
251 HB2 CYS 28 2HB CYS 28 0.877 -5.849 1.443
252 HB3 CYS 28 1HB CYS 28 0.540 -5.184 3.038
253 H ARG 29 H ARG 29 -2.317 -2.549 1.261
254 HA ARG 29 HA ARG 29 -0.630 -0.722 2.767
255 HB2 ARG 29 2HB ARG 29 -2.925 0.667 2.231
256 HB3 ARG 29 1HB ARG 29 -1.524 0.620 1.179
257 HG2 ARG 29 2HG ARG 29 -3.682 -1.485 0.998
258 HG3 ARG 29 1HG ARG 29 -3.849 0.053 0.162
259 HD2 ARG 29 2HD ARG 29 -2.046 -2.222 -0.424
260 HD3 ARG 29 1HD ARG 29 -2.789 -1.064 -1.515
261 HE ARG 29 HE ARG 29 -0.190 -0.841 -0.267
262 HH11 ARG 29 1HH2 ARG 29 -2.876 0.793 -1.714
263 HH12 ARG 29 2HH2 ARG 29 -1.962 2.199 -2.149
264 HH21 ARG 29 1HH1 ARG 29 1.014 1.000 -0.834
265 HH22 ARG 29 2HH1 ARG 29 0.238 2.317 -1.650
266 H LYS 30 H LYS 30 -1.526 -2.818 4.347
267 HA LYS 30 HA LYS 30 -2.777 -1.416 6.503
268 HB2 LYS 30 2HB LYS 30 -4.813 -2.806 6.628
269 HB3 LYS 30 1HB LYS 30 -4.785 -1.808 5.173
270 HG2 LYS 30 2HG LYS 30 -3.563 -3.946 4.167
271 HG3 LYS 30 1HG LYS 30 -4.453 -4.762 5.452
272 HD2 LYS 30 2HD LYS 30 -6.489 -3.380 4.562
273 HD3 LYS 30 1HD LYS 30 -5.517 -3.234 3.095
274 HE2 LYS 30 2HE LYS 30 -6.556 -5.737 4.411
275 HE3 LYS 30 1HE LYS 30 -6.788 -5.196 2.748
276 HZ1 LYS 30 3HZ LYS 30 -4.603 -5.713 2.196
277 HZ2 LYS 30 1HZ LYS 30 -5.079 -7.016 3.171
278 HZ3 LYS 30 2HZ LYS 30 -4.098 -5.787 3.816
279 H THR 31 H THR 31 -2.284 -4.610 5.081
280 HA THR 31 HA THR 31 -2.018 -6.032 7.518
281 HB THR 31 HB THR 31 -0.473 -7.114 5.284
282 HG1 THR 31 1HG THR 31 -2.509 -7.423 4.087
283 HG21 THR 31 31HG THR 31 -1.877 -9.042 5.698
284 HG22 THR 31 1HG2 THR 31 -3.017 -8.066 6.623
285 HG23 THR 31 2HG2 THR 31 -1.399 -8.367 7.256
286 H CYS 32 H CYS 32 0.450 -4.922 5.198
287 HA CYS 32 HA CYS 32 2.663 -5.566 6.864
288 HB2 CYS 32 2HB CYS 32 2.251 -4.559 4.242
289 HB3 CYS 32 1HB CYS 32 3.287 -3.406 5.080
290 H GLY 33 H GLY 33 0.299 -3.574 7.606
291 HA2 GLY 33 2HA GLY 33 0.052 -1.667 8.879
292 HA3 GLY 33 1HA GLY 33 1.569 -2.166 9.626
293 H THR 34 H THR 34 1.290 -1.458 6.221
294 HA THR 34 HA THR 34 3.303 0.635 6.484
295 HB THR 34 HB THR 34 3.486 -1.057 4.691
296 HG1 THR 34 1HG THR 34 2.955 1.592 3.828
297 HG21 THR 34 31HG THR 34 0.782 -0.792 4.468
298 HG22 THR 34 1HG2 THR 34 1.806 -1.513 3.226
299 HG23 THR 34 2HG2 THR 34 1.330 0.182 3.102
300 H CYS 35 H CYS 35 -0.117 0.329 5.868
301 HA CYS 35 HA CYS 35 -0.295 3.271 5.716
302 HB2 CYS 35 2HB CYS 35 -0.828 2.774 3.517
303 HB3 CYS 35 1HB CYS 35 -1.543 1.216 3.935
304 HN1 NH2 36 H2 NH2 36 -3.027 0.957 7.692
305 HN2 NH2 36 H1 NH2 36 -2.005 0.247 6.538
Start of MODEL 11
1 HA PFX 0 HA PFX 0 -7.876 17.201 -0.230
2 H1N PFX 0 H1N PFX 0 -7.272 15.254 0.792
3 H2N PFX 0 H2N PFX 0 -6.911 16.384 2.008
4 H3N PFX 0 H3N PFX 0 -5.667 15.741 1.045
5 H1B PFX 0 1HB PFX 0 -5.394 18.641 0.660
6 H2B PFX 0 2HB PFX 0 -6.733 18.454 1.792
7 HD1 PFX 0 HD1 PFX 0 -8.179 20.269 1.871
8 HD2 PFX 0 HD2 PFX 0 -6.352 19.227 -1.870
9 HE1 PFX 0 HE1 PFX 0 -9.374 22.138 0.769
10 HE2 PFX 0 HE2 PFX 0 -7.548 21.093 -2.974
11 HNH PFX 0 HNH PFX 0 -6.692 17.425 -2.926
12 H11 PFX 0 1HNH PFX 0 -8.145 15.448 -2.874
13 H21 PFX 0 2HNH PFX 0 -6.991 14.719 -1.761
14 H12 PFX 0 1H2 PFX 0 -6.366 15.468 -4.632
15 H22 PFX 0 2H2 PFX 0 -6.778 13.841 -4.089
16 H14 PFX 0 1H4 PFX 0 -3.313 15.018 -4.648
17 H24 PFX 0 2H4 PFX 0 -4.687 14.293 -5.482
18 H15 PFX 0 1H5 PFX 0 -2.498 12.985 -3.932
19 H25 PFX 0 2H5 PFX 0 -3.316 12.444 -5.399
20 H17 PFX 0 1H7 PFX 0 -4.912 12.001 -1.617
21 H27 PFX 0 2H7 PFX 0 -3.608 13.127 -1.995
22 H ARG 1 H ARG 1 -4.550 9.906 -1.405
23 HA ARG 1 HA ARG 1 -2.352 8.830 -2.939
24 HB2 ARG 1 2HB ARG 1 -1.912 9.050 -0.227
25 HB3 ARG 1 1HB ARG 1 -2.547 7.415 -0.366
26 HG2 ARG 1 2HG ARG 1 -0.441 8.243 -2.329
27 HG3 ARG 1 1HG ARG 1 0.056 7.944 -0.669
28 HD2 ARG 1 2HD ARG 1 -1.202 5.737 -0.813
29 HD3 ARG 1 1HD ARG 1 -1.336 6.027 -2.546
30 HE ARG 1 HE ARG 1 1.363 6.195 -1.472
31 HH11 ARG 1 1HH2 ARG 1 -1.119 4.256 -2.901
32 HH12 ARG 1 2HH2 ARG 1 -0.025 3.073 -3.535
33 HH21 ARG 1 1HH1 ARG 1 2.807 4.648 -2.297
34 HH22 ARG 1 2HH1 ARG 1 2.200 3.293 -3.191
35 H SER 2 H SER 2 -2.831 6.182 -1.542
36 HA SER 2 HA SER 2 -5.597 5.564 -2.085
37 HB2 SER 2 2HB SER 2 -4.701 3.719 -3.758
38 HB3 SER 2 1HB SER 2 -5.091 5.340 -4.327
39 HG SER 2 HG SER 2 -3.089 5.304 -4.986
40 H CYS 3 H CYS 3 -5.194 5.041 0.202
41 HA CYS 3 HA CYS 3 -3.469 2.815 0.843
42 HB2 CYS 3 2HB CYS 3 -4.169 4.764 2.385
43 HB3 CYS 3 1HB CYS 3 -5.677 3.876 2.589
44 H ILE 4 H ILE 4 -4.632 1.601 -0.986
45 HA ILE 4 HA ILE 4 -6.590 -0.173 0.268
46 HB ILE 4 HB ILE 4 -7.501 0.279 -2.394
47 HG12 ILE 4 2HG1 ILE 4 -7.339 2.822 -0.742
48 HG13 ILE 4 1HG1 ILE 4 -6.287 2.482 -2.118
49 HG21 ILE 4 1HG2 ILE 4 -8.767 1.231 0.185
50 HG22 ILE 4 2HG2 ILE 4 -8.737 -0.469 -0.287
51 HG23 ILE 4 31HG ILE 4 -9.579 0.711 -1.292
52 HD11 ILE 4 3HD1 ILE 4 -7.913 2.987 -3.607
53 HD12 ILE 4 1HD1 ILE 4 -8.784 3.696 -2.248
54 HD13 ILE 4 2HD1 ILE 4 -9.112 2.033 -2.733
55 H ASP 5 H ASP 5 -6.370 -2.257 -0.369
56 HA ASP 5 HA ASP 5 -4.312 -2.827 -2.400
57 HB2 ASP 5 2HB ASP 5 -5.473 -4.807 -0.451
58 HB3 ASP 5 1HB ASP 5 -3.951 -4.900 -1.330
59 H THR 6 H THR 6 -4.701 -5.040 -3.467
60 HA THR 6 HA THR 6 -7.497 -5.572 -4.132
61 HB THR 6 HB THR 6 -6.494 -3.778 -5.718
62 HG1 THR 6 1HG THR 6 -7.784 -6.170 -6.359
63 HG21 THR 6 31HG THR 6 -5.305 -6.076 -7.196
64 HG22 THR 6 1HG2 THR 6 -4.377 -5.413 -5.852
65 HG23 THR 6 2HG2 THR 6 -4.840 -4.375 -7.199
66 H ILE 7 H ILE 7 -5.008 -6.746 -2.879
67 HA ILE 7 HA ILE 7 -4.663 -9.137 -4.575
68 HB ILE 7 HB ILE 7 -2.729 -7.630 -3.796
69 HG12 ILE 7 2HG1 ILE 7 -2.896 -10.608 -3.681
70 HG13 ILE 7 1HG1 ILE 7 -1.948 -9.578 -4.752
71 HG21 ILE 7 1HG2 ILE 7 -3.069 -9.259 -1.270
72 HG22 ILE 7 2HG2 ILE 7 -3.649 -7.600 -1.416
73 HG23 ILE 7 31HG ILE 7 -1.926 -7.949 -1.559
74 HD11 ILE 7 3HD1 ILE 7 -0.681 -8.943 -2.524
75 HD12 ILE 7 1HD1 ILE 7 -0.281 -10.438 -3.369
76 HD13 ILE 7 2HD1 ILE 7 -1.334 -10.477 -1.956
77 HA PRO 8 HA PRO 8 -7.374 -11.438 -1.839
78 HB2 PRO 8 2HB PRO 8 -5.209 -13.454 -2.382
79 HB3 PRO 8 1HB PRO 8 -6.971 -13.680 -2.360
80 HG2 PRO 8 2HG PRO 8 -5.619 -13.413 -4.650
81 HG3 PRO 8 1HG PRO 8 -7.251 -12.753 -4.442
82 HD2 PRO 8 2HD PRO 8 -4.686 -11.317 -4.678
83 HD3 PRO 8 1HD PRO 8 -6.338 -10.711 -4.916
84 H LYS 9 H LYS 9 -6.720 -10.053 -0.053
85 HA LYS 9 HA LYS 9 -4.726 -9.715 1.545
86 HB2 LYS 9 2HB LYS 9 -6.670 -10.961 3.285
87 HB3 LYS 9 1HB LYS 9 -6.264 -9.254 3.108
88 HG2 LYS 9 2HG LYS 9 -7.780 -9.022 1.233
89 HG3 LYS 9 1HG LYS 9 -8.082 -10.761 1.207
90 HD2 LYS 9 2HD LYS 9 -9.244 -10.694 3.287
91 HD3 LYS 9 1HD LYS 9 -8.676 -9.061 3.637
92 HE2 LYS 9 2HE LYS 9 -9.981 -8.912 1.134
93 HE3 LYS 9 1HE LYS 9 -11.024 -9.884 2.171
94 HZ1 LYS 9 3HZ LYS 9 -10.094 -7.116 2.557
95 HZ2 LYS 9 1HZ LYS 9 -10.556 -8.052 3.893
96 HZ3 LYS 9 2HZ LYS 9 -11.672 -7.739 2.651
97 H SER 10 H SER 10 -6.238 -12.925 1.357
98 HA SER 10 HA SER 10 -4.529 -14.162 3.257
99 HB2 SER 10 2HB SER 10 -6.688 -15.133 2.598
100 HB3 SER 10 1HB SER 10 -6.077 -15.398 0.966
101 HG SER 10 HG SER 10 -5.021 -17.082 1.660
102 H ARG 11 H ARG 11 -3.184 -12.561 1.157
103 HA ARG 11 HA ARG 11 -1.347 -14.664 0.195
104 HB2 ARG 11 2HB ARG 11 -2.643 -12.439 -1.297
105 HB3 ARG 11 1HB ARG 11 -0.962 -12.806 -1.685
106 HG2 ARG 11 2HG ARG 11 -3.061 -14.972 -1.526
107 HG3 ARG 11 1HG ARG 11 -2.768 -14.073 -3.015
108 HD2 ARG 11 2HD ARG 11 -0.245 -14.697 -2.513
109 HD3 ARG 11 1HD ARG 11 -0.978 -15.996 -1.577
110 HE ARG 11 HE ARG 11 -2.254 -16.062 -4.024
111 HH11 ARG 11 1HH2 ARG 11 0.995 -16.216 -2.847
112 HH12 ARG 11 2HH2 ARG 11 1.563 -17.221 -4.139
113 HH21 ARG 11 1HH1 ARG 11 -1.519 -17.378 -5.724
114 HH22 ARG 11 2HH1 ARG 11 0.139 -17.878 -5.769
115 H CYS 12 H CYS 12 -1.817 -11.524 1.611
116 HA CYS 12 HA CYS 12 0.901 -10.633 1.382
117 HB2 CYS 12 2HB CYS 12 -1.243 -9.241 1.864
118 HB3 CYS 12 1HB CYS 12 -0.988 -9.724 3.540
119 H THR 13 H THR 13 2.145 -12.414 2.085
120 HA THR 13 HA THR 13 1.908 -13.154 4.924
121 HB THR 13 HB THR 13 3.187 -15.091 4.403
122 HG1 THR 13 1HG THR 13 3.596 -14.419 1.752
123 HG21 THR 13 31HG THR 13 1.733 -14.928 1.819
124 HG22 THR 13 1HG2 THR 13 0.777 -14.648 3.274
125 HG23 THR 13 2HG2 THR 13 1.660 -16.162 3.077
126 H ALA 14 H ALA 14 3.992 -13.469 6.102
127 HA ALA 14 HA ALA 14 5.476 -11.060 6.164
128 HB1 ALA 14 1HB ALA 14 7.060 -12.970 7.428
129 HB2 ALA 14 2HB ALA 14 5.418 -13.580 7.629
130 HB3 ALA 14 3HB ALA 14 5.833 -11.960 8.196
131 H PHE 15 H PHE 15 5.523 -13.420 3.896
132 HA PHE 15 HA PHE 15 8.416 -13.230 3.369
133 HB2 PHE 15 2HB PHE 15 8.010 -15.460 3.083
134 HB3 PHE 15 1HB PHE 15 6.294 -15.210 2.767
135 HD1 PHE 15 2HD PHE 15 9.451 -14.000 1.121
136 HD2 PHE 15 1HD PHE 15 5.691 -16.030 0.679
137 HE1 PHE 15 2HE PHE 15 9.856 -14.220 -1.316
138 HE2 PHE 15 1HE PHE 15 6.096 -16.250 -1.757
139 HZ PHE 15 HZ PHE 15 8.179 -15.350 -2.755
140 H GLN 16 H GLN 16 5.257 -12.830 1.783
141 HA GLN 16 HA GLN 16 6.318 -11.750 -0.634
142 HB2 GLN 16 2HB GLN 16 3.639 -12.070 0.599
143 HB3 GLN 16 1HB GLN 16 3.800 -10.790 -0.607
144 HG2 GLN 16 2HG GLN 16 4.745 -13.630 -1.069
145 HG3 GLN 16 1HG GLN 16 3.143 -13.060 -1.527
146 HE21 GLN 16 1HE2 GLN 16 5.330 -10.495 -1.799
147 HE22 GLN 16 2HE2 GLN 16 5.657 -10.625 -3.460
148 H CYS 17 H CYS 17 5.276 -10.384 2.424
149 HA CYS 17 HA CYS 17 5.428 -7.652 1.468
150 HB2 CYS 17 2HB CYS 17 3.780 -8.113 3.152
151 HB3 CYS 17 1HB CYS 17 4.985 -8.850 4.208
152 H LYS 18 H LYS 18 7.801 -9.706 1.773
153 HA LYS 18 HA LYS 18 9.629 -7.753 3.039
154 HB2 LYS 18 2HB LYS 18 9.151 -10.519 3.707
155 HB3 LYS 18 1HB LYS 18 10.816 -10.312 3.164
156 HG2 LYS 18 2HG LYS 18 9.526 -8.486 5.192
157 HG3 LYS 18 1HG LYS 18 10.412 -9.941 5.646
158 HD2 LYS 18 2HD LYS 18 12.455 -9.098 4.869
159 HD3 LYS 18 1HD LYS 18 11.676 -7.921 3.811
160 HE2 LYS 18 2HE LYS 18 11.638 -6.365 5.443
161 HE3 LYS 18 1HE LYS 18 10.917 -7.497 6.586
162 HZ1 LYS 18 3HZ LYS 18 13.133 -6.695 7.262
163 HZ2 LYS 18 1HZ LYS 18 13.800 -7.431 5.887
164 HZ3 LYS 18 2HZ LYS 18 13.065 -8.384 7.086
165 H HIS 19 H HIS 19 9.242 -10.345 0.685
166 HA HIS 19 HA HIS 19 11.771 -9.747 -0.600
167 HB2 HIS 19 2HB HIS 19 9.550 -11.672 -1.290
168 HB3 HIS 19 1HB HIS 19 11.115 -11.594 -2.100
169 HD1 HIS 19 1HD HIS 19 10.279 -11.458 1.600
170 HD2 HIS 19 2HD HIS 19 12.510 -13.753 -1.060
171 HE1 HIS 19 1HE HIS 19 11.521 -13.162 3.000
172 HE2 HIS 19 2HE HIS 19 12.890 -14.572 1.380
173 H SER 20 H SER 20 8.431 -8.899 -0.940
174 HA SER 20 HA SER 20 9.021 -7.641 -3.560
175 HB2 SER 20 2HB SER 20 6.324 -8.428 -2.440
176 HB3 SER 20 1HB SER 20 6.646 -7.769 -4.040
177 HG SER 20 HG SER 20 8.173 -9.687 -4.130
178 H NLE 21 H NLE 21 8.893 -5.492 -3.710
179 HA NLE 21 HA NLE 21 8.324 -3.958 -1.310
180 HB2 NLE 21 1HB NLE 21 9.613 -3.443 -3.950
181 HB3 NLE 21 2HB NLE 21 10.186 -3.065 -2.330
182 HG2 NLE 21 1HG NLE 21 8.406 -1.298 -2.180
183 HG3 NLE 21 2HG NLE 21 8.016 -1.618 -3.870
184 HD2 NLE 21 1HD NLE 21 10.340 -1.067 -4.510
185 HD3 NLE 21 2HD NLE 21 10.726 -0.748 -2.810
186 HE1 NLE 21 3HE NLE 21 10.111 1.265 -4.350
187 HE2 NLE 21 1HE NLE 21 9.380 1.179 -2.750
188 HE3 NLE 21 2HE NLE 21 8.452 0.694 -4.170
189 H LYS 22 H LYS 22 6.899 -4.546 -4.460
190 HA LYS 22 HA LYS 22 5.043 -2.446 -4.550
191 HB2 LYS 22 2HB LYS 22 3.723 -4.001 -6.000
192 HB3 LYS 22 1HB LYS 22 5.422 -3.897 -6.460
193 HG2 LYS 22 2HG LYS 22 5.720 -5.911 -4.810
194 HG3 LYS 22 1HG LYS 22 3.987 -6.128 -5.060
195 HD2 LYS 22 2HD LYS 22 4.958 -7.462 -6.730
196 HD3 LYS 22 1HD LYS 22 4.530 -5.975 -7.580
197 HE2 LYS 22 2HE LYS 22 7.118 -5.574 -6.480
198 HE3 LYS 22 1HE LYS 22 7.130 -7.163 -7.250
199 HZ1 LYS 22 3HZ LYS 22 6.974 -6.265 -9.270
200 HZ2 LYS 22 1HZ LYS 22 7.419 -4.801 -8.530
201 HZ3 LYS 22 2HZ LYS 22 5.777 -5.155 -8.790
202 H TYR 23 H TYR 23 5.239 -5.124 -2.440
203 HA TYR 23 HA TYR 23 2.424 -5.306 -1.850
204 HB2 TYR 23 2HB TYR 23 4.913 -6.437 -0.610
205 HB3 TYR 23 1HB TYR 23 3.368 -6.555 0.220
206 HD1 TYR 23 2HD TYR 23 4.750 -7.037 -3.220
207 HD2 TYR 23 1HD TYR 23 2.072 -8.449 -0.190
208 HE1 TYR 23 2HE TYR 23 4.115 -8.945 -4.680
209 HE2 TYR 23 1HE TYR 23 1.431 -10.356 -1.630
210 HH TYR 23 HH TYR 23 1.604 -11.256 -3.670
211 H ARG 24 H ARG 24 5.204 -4.102 0.030
212 HA ARG 24 HA ARG 24 3.730 -3.060 2.160
213 HB2 ARG 24 2HB ARG 24 6.362 -2.026 1.100
214 HB3 ARG 24 1HB ARG 24 5.716 -1.779 2.720
215 HG2 ARG 24 2HG ARG 24 7.218 -3.601 2.950
216 HG3 ARG 24 1HG ARG 24 5.618 -4.341 2.890
217 HD2 ARG 24 2HD ARG 24 6.066 -5.412 0.950
218 HD3 ARG 24 1HD ARG 24 6.781 -3.973 0.230
219 HE ARG 24 HE ARG 24 8.195 -6.103 1.580
220 HH11 ARG 24 1HH2 ARG 24 8.145 -2.781 0.630
221 HH12 ARG 24 2HH2 ARG 24 9.868 -2.611 0.620
222 HH21 ARG 24 1HH1 ARG 24 10.453 -5.893 1.560
223 HH22 ARG 24 2HH1 ARG 24 11.174 -4.377 1.140
224 H LEU 25 H LEU 25 3.683 -1.902 -1.030
225 HA LEU 25 HA LEU 25 2.340 0.513 -0.090
226 HB2 LEU 25 2HB LEU 25 3.713 1.928 -1.690
227 HB3 LEU 25 1HB LEU 25 4.526 1.406 -0.220
228 HG LEU 25 HG LEU 25 5.113 -0.681 -1.860
229 HD11 LEU 25 1HD1 LEU 25 5.827 0.374 -4.030
230 HD12 LEU 25 2HD1 LEU 25 4.912 1.809 -3.570
231 HD13 LEU 25 3HD1 LEU 25 4.077 0.276 -3.820
232 HD21 LEU 25 31HD LEU 25 7.275 0.722 -2.320
233 HD22 LEU 25 1HD2 LEU 25 6.860 0.316 -0.650
234 HD23 LEU 25 2HD2 LEU 25 6.505 1.924 -1.280
235 H SER 26 H SER 26 1.469 -1.876 -1.550
236 HA SER 26 HA SER 26 0.008 -0.488 -3.610
237 HB2 SER 26 2HB SER 26 2.412 -1.485 -4.470
238 HB3 SER 26 1HB SER 26 1.315 -2.815 -4.830
239 HG SER 26 HG SER 26 1.106 -1.526 -6.550
240 H PHE 27 H PHE 27 1.005 -3.811 -2.750
241 HA PHE 27 HA PHE 27 -1.776 -4.695 -3.060
242 HB2 PHE 27 2HB PHE 27 0.640 -6.398 -2.480
243 HB3 PHE 27 1HB PHE 27 -0.896 -6.893 -3.170
244 HD1 PHE 27 1HD PHE 27 -0.987 -4.207 -4.950
245 HD2 PHE 27 2HD PHE 27 1.815 -7.419 -4.400
246 HE1 PHE 27 1HE PHE 27 -0.092 -3.821 -7.230
247 HE2 PHE 27 2HE PHE 27 2.708 -7.028 -6.680
248 HZ PHE 27 HZ PHE 27 1.755 -5.231 -8.090
249 H CYS 28 H CYS 28 0.405 -3.837 -0.560
250 HA CYS 28 HA CYS 28 -1.463 -5.038 1.380
251 HB2 CYS 28 2HB CYS 28 1.554 -4.976 1.560
252 HB3 CYS 28 1HB CYS 28 0.485 -5.424 2.890
253 H ARG 29 H ARG 29 -2.096 -2.605 0.750
254 HA ARG 29 HA ARG 29 -0.649 -0.568 2.190
255 HB2 ARG 29 2HB ARG 29 -3.476 -0.374 1.150
256 HB3 ARG 29 1HB ARG 29 -2.332 0.936 1.430
257 HG2 ARG 29 2HG ARG 29 -1.954 -1.275 -0.600
258 HG3 ARG 29 1HG ARG 29 -2.540 0.344 -0.970
259 HD2 ARG 29 2HD ARG 29 0.196 -0.502 -0.050
260 HD3 ARG 29 1HD ARG 29 -0.244 0.520 -1.420
261 HE ARG 29 HE ARG 29 -0.800 1.532 1.270
262 HH11 ARG 29 1HH2 ARG 29 1.103 1.543 -1.610
263 HH12 ARG 29 2HH2 ARG 29 1.829 3.081 -1.290
264 HH21 ARG 29 1HH1 ARG 29 0.144 3.550 1.700
265 HH22 ARG 29 2HH1 ARG 29 1.289 4.217 0.580
266 H LYS 30 H LYS 30 -1.495 -2.839 3.790
267 HA LYS 30 HA LYS 30 -2.461 -1.501 6.070
268 HB2 LYS 30 2HB LYS 30 -4.696 -2.826 6.150
269 HB3 LYS 30 1HB LYS 30 -4.627 -1.339 5.200
270 HG2 LYS 30 2HG LYS 30 -5.115 -2.467 3.310
271 HG3 LYS 30 1HG LYS 30 -3.753 -3.557 3.570
272 HD2 LYS 30 2HD LYS 30 -5.106 -4.959 5.050
273 HD3 LYS 30 1HD LYS 30 -6.465 -3.844 4.890
274 HE2 LYS 30 2HE LYS 30 -7.085 -5.300 3.230
275 HE3 LYS 30 1HE LYS 30 -5.985 -4.308 2.280
276 HZ1 LYS 30 3HZ LYS 30 -5.142 -6.367 1.870
277 HZ2 LYS 30 1HZ LYS 30 -5.586 -6.988 3.390
278 HZ3 LYS 30 2HZ LYS 30 -4.234 -5.968 3.250
279 H THR 31 H THR 31 -2.556 -4.611 4.360
280 HA THR 31 HA THR 31 -2.640 -6.414 6.410
281 HB THR 31 HB THR 31 -0.630 -7.444 4.770
282 HG1 THR 31 1HG THR 31 -1.493 -5.279 3.630
283 HG21 THR 31 31HG THR 31 -2.737 -8.400 3.550
284 HG22 THR 31 1HG2 THR 31 -3.633 -7.548 4.800
285 HG23 THR 31 2HG2 THR 31 -2.473 -8.802 5.250
286 H CYS 32 H CYS 32 0.468 -5.341 5.030
287 HA CYS 32 HA CYS 32 1.967 -6.198 7.300
288 HB2 CYS 32 2HB CYS 32 2.504 -5.212 4.680
289 HB3 CYS 32 1HB CYS 32 3.371 -4.185 5.830
290 H GLY 33 H GLY 33 -0.293 -4.048 7.450
291 HA2 GLY 33 2HA GLY 33 -0.718 -2.112 8.640
292 HA3 GLY 33 1HA GLY 33 0.554 -2.688 9.710
293 H THR 34 H THR 34 0.907 -1.825 6.310
294 HA THR 34 HA THR 34 3.096 -0.032 6.960
295 HB THR 34 HB THR 34 3.107 -1.596 4.990
296 HG1 THR 34 1HG THR 34 3.700 1.063 5.060
297 HG21 THR 34 31HG THR 34 0.618 -0.904 4.500
298 HG22 THR 34 1HG2 THR 34 1.702 -1.274 3.160
299 HG23 THR 34 2HG2 THR 34 1.367 0.404 3.590
300 H CYS 35 H CYS 35 -0.236 0.207 5.850
301 HA CYS 35 HA CYS 35 -0.078 3.128 6.230
302 HB2 CYS 35 2HB CYS 35 -0.028 2.940 3.880
303 HB3 CYS 35 1HB CYS 35 -1.218 1.640 3.880
304 HN1 NH2 36 H2 NH2 36 -3.187 3.031 7.850
305 HN2 NH2 36 H1 NH2 36 -1.807 3.930 7.440
Start of MODEL 12
1 HA PFX 0 HA PFX 0 -2.353 19.249 3.627
2 H1N PFX 0 H1N PFX 0 -2.415 21.049 2.259
3 H2N PFX 0 H2N PFX 0 -2.455 20.124 0.835
4 H3N PFX 0 H3N PFX 0 -0.995 20.321 1.683
5 H1B PFX 0 1HB PFX 0 -4.425 18.675 2.911
6 H2B PFX 0 2HB PFX 0 -3.620 17.365 2.045
7 HD1 PFX 0 HD1 PFX 0 -5.516 20.409 1.732
8 HD2 PFX 0 HD2 PFX 0 -2.765 17.837 -0.326
9 HE1 PFX 0 HE1 PFX 0 -6.178 21.429 -0.427
10 HE2 PFX 0 HE2 PFX 0 -3.426 18.855 -2.485
11 HNH PFX 0 HNH PFX 0 -2.088 16.148 2.146
12 H11 PFX 0 1HNH PFX 0 -1.409 16.679 4.794
13 H21 PFX 0 2HNH PFX 0 0.093 16.290 3.960
14 H12 PFX 0 1H2 PFX 0 -2.204 14.536 4.643
15 H22 PFX 0 2H2 PFX 0 -0.485 14.154 4.538
16 H14 PFX 0 1H4 PFX 0 -1.459 12.264 3.680
17 H24 PFX 0 2H4 PFX 0 -1.476 12.192 1.918
18 H15 PFX 0 1H5 PFX 0 -3.840 13.418 2.308
19 H25 PFX 0 2H5 PFX 0 -3.740 12.526 3.827
20 H17 PFX 0 1H7 PFX 0 -5.772 11.779 2.555
21 H27 PFX 0 2H7 PFX 0 -5.078 10.441 3.472
22 H ARG 1 H ARG 1 -7.445 10.469 2.208
23 HA ARG 1 HA ARG 1 -7.138 7.763 2.501
24 HB2 ARG 1 2HB ARG 1 -9.487 8.966 1.033
25 HB3 ARG 1 1HB ARG 1 -9.467 7.527 2.051
26 HG2 ARG 1 2HG ARG 1 -8.930 10.357 3.008
27 HG3 ARG 1 1HG ARG 1 -10.435 9.468 3.249
28 HD2 ARG 1 2HD ARG 1 -7.705 8.785 4.359
29 HD3 ARG 1 1HD ARG 1 -9.144 9.239 5.266
30 HE ARG 1 HE ARG 1 -9.995 7.026 4.005
31 HH11 ARG 1 1HH2 ARG 1 -7.063 7.765 5.687
32 HH12 ARG 1 2HH2 ARG 1 -6.807 6.143 6.237
33 HH21 ARG 1 1HH1 ARG 1 -9.666 4.895 4.723
34 HH22 ARG 1 2HH1 ARG 1 -8.280 4.519 5.691
35 H SER 2 H SER 2 -6.270 6.267 1.237
36 HA SER 2 HA SER 2 -7.111 5.612 -1.319
37 HB2 SER 2 2HB SER 2 -4.896 7.626 -1.266
38 HB3 SER 2 1HB SER 2 -4.915 6.393 -2.523
39 HG SER 2 HG SER 2 -7.084 7.071 -2.975
40 H CYS 3 H CYS 3 -6.123 4.486 1.198
41 HA CYS 3 HA CYS 3 -3.869 2.872 0.164
42 HB2 CYS 3 2HB CYS 3 -4.512 3.922 2.885
43 HB3 CYS 3 1HB CYS 3 -3.705 2.358 2.763
44 H ILE 4 H ILE 4 -5.154 1.333 -0.869
45 HA ILE 4 HA ILE 4 -6.510 -0.530 0.955
46 HB ILE 4 HB ILE 4 -7.836 -0.253 -1.651
47 HG12 ILE 4 2HG1 ILE 4 -7.245 2.148 -1.064
48 HG13 ILE 4 1HG1 ILE 4 -8.969 1.819 -1.202
49 HG21 ILE 4 1HG2 ILE 4 -9.838 -0.361 -0.165
50 HG22 ILE 4 2HG2 ILE 4 -8.765 -0.325 1.234
51 HG23 ILE 4 31HG ILE 4 -8.705 -1.684 0.114
52 HD11 ILE 4 3HD1 ILE 4 -9.315 2.433 0.932
53 HD12 ILE 4 1HD1 ILE 4 -7.628 2.936 1.013
54 HD13 ILE 4 2HD1 ILE 4 -8.087 1.306 1.501
55 H ASP 5 H ASP 5 -6.672 -2.681 0.126
56 HA ASP 5 HA ASP 5 -4.458 -3.372 -1.625
57 HB2 ASP 5 2HB ASP 5 -5.060 -5.705 -1.027
58 HB3 ASP 5 1HB ASP 5 -4.789 -4.693 0.391
59 H THR 6 H THR 6 -4.783 -4.962 -3.391
60 HA THR 6 HA THR 6 -7.418 -4.664 -4.696
61 HB THR 6 HB THR 6 -6.384 -4.243 -6.810
62 HG1 THR 6 1HG THR 6 -3.903 -4.013 -6.528
63 HG21 THR 6 31HG THR 6 -6.425 -2.410 -4.927
64 HG22 THR 6 1HG2 THR 6 -5.563 -2.096 -6.434
65 HG23 THR 6 2HG2 THR 6 -4.670 -2.582 -4.992
66 H ILE 7 H ILE 7 -5.151 -6.749 -3.473
67 HA ILE 7 HA ILE 7 -6.189 -8.962 -5.130
68 HB ILE 7 HB ILE 7 -3.927 -10.021 -4.980
69 HG12 ILE 7 2HG1 ILE 7 -2.252 -7.843 -4.593
70 HG13 ILE 7 1HG1 ILE 7 -3.492 -7.618 -3.359
71 HG21 ILE 7 1HG2 ILE 7 -3.893 -9.166 -7.070
72 HG22 ILE 7 2HG2 ILE 7 -2.961 -7.826 -6.402
73 HG23 ILE 7 31HG ILE 7 -4.714 -7.693 -6.553
74 HD11 ILE 7 3HD1 ILE 7 -3.147 -10.100 -2.792
75 HD12 ILE 7 1HD1 ILE 7 -1.852 -8.995 -2.327
76 HD13 ILE 7 2HD1 ILE 7 -1.680 -10.001 -3.766
77 HA PRO 8 HA PRO 8 -7.373 -11.142 -1.511
78 HB2 PRO 8 2HB PRO 8 -5.478 -13.265 -2.455
79 HB3 PRO 8 1HB PRO 8 -7.163 -13.415 -1.921
80 HG2 PRO 8 2HG PRO 8 -6.473 -13.448 -4.512
81 HG3 PRO 8 1HG PRO 8 -8.006 -12.772 -3.942
82 HD2 PRO 8 2HD PRO 8 -5.655 -11.369 -5.041
83 HD3 PRO 8 1HD PRO 8 -7.332 -10.803 -4.880
84 H LYS 9 H LYS 9 -6.618 -10.486 0.422
85 HA LYS 9 HA LYS 9 -4.010 -9.784 1.067
86 HB2 LYS 9 2HB LYS 9 -6.490 -10.333 2.551
87 HB3 LYS 9 1HB LYS 9 -5.015 -10.586 3.484
88 HG2 LYS 9 2HG LYS 9 -4.335 -8.361 3.268
89 HG3 LYS 9 1HG LYS 9 -5.311 -8.100 1.822
90 HD2 LYS 9 2HD LYS 9 -7.208 -7.653 3.017
91 HD3 LYS 9 1HD LYS 9 -6.813 -8.825 4.273
92 HE2 LYS 9 2HE LYS 9 -6.730 -6.291 4.874
93 HE3 LYS 9 1HE LYS 9 -5.408 -7.326 5.411
94 HZ1 LYS 9 3HZ LYS 9 -5.008 -6.287 2.773
95 HZ2 LYS 9 1HZ LYS 9 -3.969 -6.262 4.112
96 HZ3 LYS 9 2HZ LYS 9 -5.155 -5.058 3.937
97 H SER 10 H SER 10 -5.395 -12.912 0.742
98 HA SER 10 HA SER 10 -3.695 -14.373 2.484
99 HB2 SER 10 2HB SER 10 -4.838 -16.175 1.730
100 HB3 SER 10 1HB SER 10 -5.875 -14.981 0.951
101 HG SER 10 HG SER 10 -4.532 -15.160 -0.896
102 H ARG 11 H ARG 11 -3.109 -12.800 -0.484
103 HA ARG 11 HA ARG 11 -0.854 -14.507 -1.217
104 HB2 ARG 11 2HB ARG 11 -2.394 -12.326 -2.493
105 HB3 ARG 11 1HB ARG 11 -0.681 -12.391 -2.899
106 HG2 ARG 11 2HG ARG 11 -2.400 -14.871 -2.978
107 HG3 ARG 11 1HG ARG 11 -2.319 -13.775 -4.357
108 HD2 ARG 11 2HD ARG 11 -0.592 -15.221 -4.890
109 HD3 ARG 11 1HD ARG 11 0.296 -14.012 -3.970
110 HE ARG 11 HE ARG 11 -0.724 -16.141 -2.318
111 HH11 ARG 11 1HH2 ARG 11 1.791 -15.136 -4.473
112 HH12 ARG 11 2HH2 ARG 11 2.981 -16.202 -3.802
113 HH21 ARG 11 1HH1 ARG 11 0.829 -17.546 -1.437
114 HH22 ARG 11 2HH1 ARG 11 2.436 -17.567 -2.085
115 H CYS 12 H CYS 12 -1.406 -11.995 0.907
116 HA CYS 12 HA CYS 12 1.302 -10.871 0.617
117 HB2 CYS 12 2HB CYS 12 -0.735 -9.363 0.780
118 HB3 CYS 12 1HB CYS 12 -0.897 -9.907 2.449
119 H THR 13 H THR 13 2.349 -12.762 1.476
120 HA THR 13 HA THR 13 1.802 -13.492 4.246
121 HB THR 13 HB THR 13 3.139 -15.355 3.884
122 HG1 THR 13 1HG THR 13 4.528 -13.576 2.274
123 HG21 THR 13 31HG THR 13 2.293 -16.319 1.956
124 HG22 THR 13 1HG2 THR 13 2.567 -14.872 0.987
125 HG23 THR 13 2HG2 THR 13 1.211 -14.936 2.111
126 H ALA 14 H ALA 14 3.580 -13.595 5.818
127 HA ALA 14 HA ALA 14 4.836 -11.106 6.172
128 HB1 ALA 14 1HB ALA 14 4.341 -12.815 7.968
129 HB2 ALA 14 2HB ALA 14 5.954 -12.104 8.048
130 HB3 ALA 14 3HB ALA 14 5.736 -13.725 7.389
131 H PHE 15 H PHE 15 5.587 -13.601 4.060
132 HA PHE 15 HA PHE 15 8.460 -13.017 4.012
133 HB2 PHE 15 2HB PHE 15 8.690 -15.119 3.263
134 HB3 PHE 15 1HB PHE 15 6.965 -15.338 3.534
135 HD1 PHE 15 2HD PHE 15 9.245 -13.772 0.982
136 HD2 PHE 15 1HD PHE 15 5.699 -16.080 1.729
137 HE1 PHE 15 2HE PHE 15 8.896 -14.028 -1.459
138 HE2 PHE 15 1HE PHE 15 5.349 -16.333 -0.713
139 HZ PHE 15 HZ PHE 15 6.949 -15.308 -2.307
140 H GLN 16 H GLN 16 5.559 -12.715 2.011
141 HA GLN 16 HA GLN 16 6.857 -11.639 -0.278
142 HB2 GLN 16 2HB GLN 16 4.347 -12.545 0.253
143 HB3 GLN 16 1HB GLN 16 4.078 -10.802 0.267
144 HG2 GLN 16 2HG GLN 16 3.766 -11.515 -1.989
145 HG3 GLN 16 1HG GLN 16 5.330 -10.705 -1.940
146 HE21 GLN 16 1HE2 GLN 16 3.819 -13.958 -1.925
147 HE22 GLN 16 2HE2 GLN 16 5.183 -14.761 -2.539
148 H CYS 17 H CYS 17 5.662 -10.297 2.715
149 HA CYS 17 HA CYS 17 5.667 -7.552 1.899
150 HB2 CYS 17 2HB CYS 17 5.016 -9.068 4.250
151 HB3 CYS 17 1HB CYS 17 6.074 -7.731 4.698
152 H LYS 18 H LYS 18 8.166 -9.609 2.011
153 HA LYS 18 HA LYS 18 10.059 -7.472 2.762
154 HB2 LYS 18 2HB LYS 18 9.810 -9.456 4.437
155 HB3 LYS 18 1HB LYS 18 10.709 -10.372 3.227
156 HG2 LYS 18 2HG LYS 18 12.035 -7.866 3.554
157 HG3 LYS 18 1HG LYS 18 11.722 -8.515 5.163
158 HD2 LYS 18 2HD LYS 18 12.735 -10.672 4.473
159 HD3 LYS 18 1HD LYS 18 13.091 -9.982 2.889
160 HE2 LYS 18 2HE LYS 18 14.045 -8.214 4.965
161 HE3 LYS 18 1HE LYS 18 14.693 -9.836 5.211
162 HZ1 LYS 18 3HZ LYS 18 14.778 -9.220 2.472
163 HZ2 LYS 18 1HZ LYS 18 16.071 -9.526 3.526
164 HZ3 LYS 18 2HZ LYS 18 15.492 -7.940 3.333
165 H HIS 19 H HIS 19 9.374 -10.348 0.851
166 HA HIS 19 HA HIS 19 11.763 -10.003 -0.780
167 HB2 HIS 19 2HB HIS 19 9.441 -11.930 -1.052
168 HB3 HIS 19 1HB HIS 19 10.933 -11.978 -1.992
169 HD1 HIS 19 1HD HIS 19 10.298 -11.591 1.760
170 HD2 HIS 19 2HD HIS 19 12.488 -13.961 -0.880
171 HE1 HIS 19 1HE HIS 19 11.654 -13.187 3.185
172 HE2 HIS 19 2HE HIS 19 12.992 -14.640 1.591
173 H SER 20 H SER 20 8.573 -8.849 -0.695
174 HA SER 20 HA SER 20 8.856 -7.812 -3.443
175 HB2 SER 20 2HB SER 20 7.205 -9.779 -3.215
176 HB3 SER 20 1HB SER 20 6.187 -8.651 -2.323
177 HG SER 20 HG SER 20 7.242 -7.659 -4.663
178 H NLE 21 H NLE 21 8.843 -5.670 -3.403
179 HA NLE 21 HA NLE 21 7.998 -4.220 -1.056
180 HB2 NLE 21 1HB NLE 21 8.604 -2.219 -2.530
181 HB3 NLE 21 2HB NLE 21 9.124 -3.400 -3.732
182 HG2 NLE 21 1HG NLE 21 10.676 -4.391 -2.090
183 HG3 NLE 21 2HG NLE 21 10.139 -3.229 -0.875
184 HD2 NLE 21 1HD NLE 21 11.031 -1.385 -2.137
185 HD3 NLE 21 2HD NLE 21 11.337 -2.414 -3.537
186 HE1 NLE 21 3HE NLE 21 12.928 -3.747 -2.101
187 HE2 NLE 21 1HE NLE 21 12.718 -2.533 -0.839
188 HE3 NLE 21 2HE NLE 21 13.440 -2.084 -2.384
189 H LYS 22 H LYS 22 6.810 -4.688 -4.357
190 HA LYS 22 HA LYS 22 4.757 -2.779 -4.356
191 HB2 LYS 22 2HB LYS 22 3.652 -4.544 -5.955
192 HB3 LYS 22 1HB LYS 22 5.129 -3.715 -6.446
193 HG2 LYS 22 2HG LYS 22 6.331 -5.629 -6.417
194 HG3 LYS 22 1HG LYS 22 5.667 -6.112 -4.856
195 HD2 LYS 22 2HD LYS 22 3.817 -7.175 -5.824
196 HD3 LYS 22 1HD LYS 22 3.966 -6.274 -7.332
197 HE2 LYS 22 2HE LYS 22 4.900 -8.843 -6.916
198 HE3 LYS 22 1HE LYS 22 5.433 -7.762 -8.204
199 HZ1 LYS 22 3HZ LYS 22 7.043 -8.820 -6.331
200 HZ2 LYS 22 1HZ LYS 22 6.702 -7.303 -5.654
201 HZ3 LYS 22 2HZ LYS 22 7.384 -7.404 -7.206
202 H TYR 23 H TYR 23 5.133 -5.091 -2.126
203 HA TYR 23 HA TYR 23 2.251 -5.676 -1.859
204 HB2 TYR 23 2HB TYR 23 4.750 -7.041 -0.967
205 HB3 TYR 23 1HB TYR 23 3.324 -7.190 0.057
206 HD1 TYR 23 1HD TYR 23 4.390 -7.488 -3.526
207 HD2 TYR 23 2HD TYR 23 1.701 -8.800 -0.443
208 HE1 TYR 23 1HE TYR 23 3.465 -9.203 -5.061
209 HE2 TYR 23 2HE TYR 23 0.776 -10.513 -1.980
210 HH TYR 23 HH TYR 23 2.219 -11.134 -5.122
211 H ARG 24 H ARG 24 5.039 -4.264 -0.267
212 HA ARG 24 HA ARG 24 3.597 -3.620 2.158
213 HB2 ARG 24 2HB ARG 24 6.255 -2.460 1.374
214 HB3 ARG 24 1HB ARG 24 5.641 -2.824 2.985
215 HG2 ARG 24 2HG ARG 24 5.953 -5.155 2.707
216 HG3 ARG 24 1HG ARG 24 6.103 -5.017 0.958
217 HD2 ARG 24 2HD ARG 24 8.103 -4.240 3.074
218 HD3 ARG 24 1HD ARG 24 8.326 -5.310 1.694
219 HE ARG 24 HE ARG 24 7.788 -2.953 0.492
220 HH11 ARG 24 1HH2 ARG 24 9.903 -3.882 3.067
221 HH12 ARG 24 2HH2 ARG 24 11.073 -2.648 2.736
222 HH21 ARG 24 1HH1 ARG 24 9.313 -1.332 0.052
223 HH22 ARG 24 2HH1 ARG 24 10.739 -1.205 1.027
224 H LEU 25 H LEU 25 3.684 -2.274 -0.910
225 HA LEU 25 HA LEU 25 2.529 0.205 0.096
226 HB2 LEU 25 2HB LEU 25 4.050 1.613 -1.279
227 HB3 LEU 25 1HB LEU 25 4.878 0.788 0.037
228 HG LEU 25 HG LEU 25 5.149 -1.097 -1.865
229 HD11 LEU 25 1HD1 LEU 25 4.491 1.390 -3.311
230 HD12 LEU 25 2HD1 LEU 25 4.482 -0.279 -3.872
231 HD13 LEU 25 3HD1 LEU 25 5.992 0.627 -3.831
232 HD21 LEU 25 31HD LEU 25 6.817 1.264 -1.091
233 HD22 LEU 25 1HD2 LEU 25 7.383 0.223 -2.397
234 HD23 LEU 25 2HD2 LEU 25 7.098 -0.451 -0.792
235 H SER 26 H SER 26 1.436 -2.003 -1.368
236 HA SER 26 HA SER 26 0.269 -0.529 -3.557
237 HB2 SER 26 2HB SER 26 2.520 -2.130 -4.135
238 HB3 SER 26 1HB SER 26 1.115 -3.024 -4.713
239 HG SER 26 HG SER 26 0.510 -0.778 -5.539
240 H PHE 27 H PHE 27 0.735 -3.878 -2.399
241 HA PHE 27 HA PHE 27 -2.149 -4.358 -2.772
242 HB2 PHE 27 2HB PHE 27 -0.024 -6.384 -2.073
243 HB3 PHE 27 1HB PHE 27 -1.637 -6.691 -2.702
244 HD1 PHE 27 1HD PHE 27 -1.222 -4.079 -4.647
245 HD2 PHE 27 2HD PHE 27 0.833 -7.794 -3.965
246 HE1 PHE 27 1HE PHE 27 -0.319 -4.002 -6.946
247 HE2 PHE 27 2HE PHE 27 1.733 -7.712 -6.273
248 HZ PHE 27 HZ PHE 27 1.158 -5.817 -7.762
249 H CYS 28 H CYS 28 0.385 -4.510 -0.294
250 HA CYS 28 HA CYS 28 -1.702 -5.006 1.732
251 HB2 CYS 28 2HB CYS 28 1.207 -5.062 2.403
252 HB3 CYS 28 1HB CYS 28 -0.114 -6.031 3.051
253 H ARG 29 H ARG 29 -2.236 -2.664 1.217
254 HA ARG 29 HA ARG 29 -0.440 -0.652 2.238
255 HB2 ARG 29 2HB ARG 29 -3.360 -0.215 1.690
256 HB3 ARG 29 1HB ARG 29 -2.022 0.916 1.519
257 HG2 ARG 29 2HG ARG 29 -2.132 -1.577 -0.170
258 HG3 ARG 29 1HG ARG 29 -3.033 -0.139 -0.632
259 HD2 ARG 29 2HD ARG 29 -0.056 -0.231 -0.088
260 HD3 ARG 29 1HD ARG 29 -0.797 -0.183 -1.682
261 HE ARG 29 HE ARG 29 -1.562 2.057 -1.194
262 HH11 ARG 29 1HH2 ARG 29 0.589 0.645 1.138
263 HH12 ARG 29 2HH2 ARG 29 1.051 2.166 1.822
264 HH21 ARG 29 1HH1 ARG 29 -0.956 4.041 -0.287
265 HH22 ARG 29 2HH1 ARG 29 0.179 4.081 1.022
266 H LYS 30 H LYS 30 -2.314 -2.893 3.768
267 HA LYS 30 HA LYS 30 -2.576 -1.179 6.152
268 HB2 LYS 30 2HB LYS 30 -4.720 -3.160 5.410
269 HB3 LYS 30 1HB LYS 30 -4.791 -1.855 6.593
270 HG2 LYS 30 2HG LYS 30 -4.964 -0.193 4.928
271 HG3 LYS 30 1HG LYS 30 -4.359 -1.265 3.667
272 HD2 LYS 30 2HD LYS 30 -7.003 -1.603 5.108
273 HD3 LYS 30 1HD LYS 30 -6.808 -0.935 3.486
274 HE2 LYS 30 2HE LYS 30 -6.597 -3.749 4.410
275 HE3 LYS 30 1HE LYS 30 -7.152 -3.111 2.863
276 HZ1 LYS 30 3HZ LYS 30 -4.312 -3.084 3.714
277 HZ2 LYS 30 1HZ LYS 30 -4.930 -2.746 2.172
278 HZ3 LYS 30 2HZ LYS 30 -4.996 -4.330 2.784
279 H THR 31 H THR 31 -2.647 -4.477 4.842
280 HA THR 31 HA THR 31 -2.515 -5.904 7.228
281 HB THR 31 HB THR 31 -1.788 -6.429 4.402
282 HG1 THR 31 1HG THR 31 -3.787 -6.909 5.697
283 HG21 THR 31 31HG THR 31 0.233 -7.260 5.415
284 HG22 THR 31 1HG2 THR 31 -0.797 -8.652 5.073
285 HG23 THR 31 2HG2 THR 31 -0.675 -8.027 6.717
286 H CYS 32 H CYS 32 0.207 -4.935 5.133
287 HA CYS 32 HA CYS 32 2.183 -5.600 7.100
288 HB2 CYS 32 2HB CYS 32 2.169 -4.899 4.370
289 HB3 CYS 32 1HB CYS 32 3.092 -3.636 5.184
290 H GLY 33 H GLY 33 -0.116 -3.563 7.540
291 HA2 GLY 33 2HA GLY 33 -0.423 -1.484 8.514
292 HA3 GLY 33 1HA GLY 33 0.925 -2.010 9.523
293 H THR 34 H THR 34 0.887 -1.279 6.047
294 HA THR 34 HA THR 34 3.153 0.535 6.470
295 HB THR 34 HB THR 34 3.149 -1.236 4.666
296 HG1 THR 34 1HG THR 34 3.741 1.432 4.462
297 HG21 THR 34 31HG THR 34 1.713 -1.128 2.869
298 HG22 THR 34 1HG2 THR 34 1.517 0.621 3.000
299 HG23 THR 34 2HG2 THR 34 0.662 -0.449 4.112
300 H CYS 35 H CYS 35 -0.188 0.761 6.269
301 HA CYS 35 HA CYS 35 0.013 3.651 5.782
302 HB2 CYS 35 2HB CYS 35 -0.815 2.103 3.741
303 HB3 CYS 35 1HB CYS 35 -2.349 2.313 4.586
304 HN1 NH2 36 H2 NH2 36 -2.541 4.127 8.156
305 HN2 NH2 36 H1 NH2 36 -1.456 4.853 7.072
Start of MODEL 13
1 HA PFX 0 HA PFX 0 3.321 18.108 1.692
2 H1N PFX 0 H1N PFX 0 3.105 20.279 1.469
3 H2N PFX 0 H2N PFX 0 2.518 20.412 3.057
4 H3N PFX 0 H3N PFX 0 1.439 20.172 1.766
5 H1B PFX 0 1HB PFX 0 3.504 18.868 4.165
6 H2B PFX 0 2HB PFX 0 3.220 17.157 3.848
7 HD1 PFX 0 HD1 PFX 0 1.588 16.145 5.144
8 HD2 PFX 0 HD2 PFX 0 1.183 20.300 4.162
9 HE1 PFX 0 HE1 PFX 0 -0.510 16.247 6.455
10 HE2 PFX 0 HE2 PFX 0 -0.917 20.409 5.472
11 HNH PFX 0 HNH PFX 0 1.157 16.137 2.992
12 H11 PFX 0 1HNH PFX 0 1.998 15.208 0.676
13 H21 PFX 0 2HNH PFX 0 0.557 16.058 0.122
14 H12 PFX 0 1H2 PFX 0 0.467 13.993 2.329
15 H22 PFX 0 2H2 PFX 0 0.268 13.571 0.628
16 H14 PFX 0 1H4 PFX 0 -1.836 13.359 0.004
17 H24 PFX 0 2H4 PFX 0 -3.150 14.055 0.953
18 H15 PFX 0 1H5 PFX 0 -2.582 12.772 2.872
19 H25 PFX 0 2H5 PFX 0 -1.004 12.340 2.212
20 H17 PFX 0 1H7 PFX 0 -4.239 11.160 2.660
21 H27 PFX 0 2H7 PFX 0 -2.781 10.309 3.170
22 H ARG 1 H ARG 1 -5.457 10.363 0.974
23 HA ARG 1 HA ARG 1 -6.228 7.892 2.062
24 HB2 ARG 1 2HB ARG 1 -7.663 9.776 0.975
25 HB3 ARG 1 1HB ARG 1 -7.348 8.910 -0.530
26 HG2 ARG 1 2HG ARG 1 -8.053 6.913 1.307
27 HG3 ARG 1 1HG ARG 1 -9.181 8.233 1.618
28 HD2 ARG 1 2HD ARG 1 -8.647 6.880 -1.036
29 HD3 ARG 1 1HD ARG 1 -10.140 6.831 -0.103
30 HE ARG 1 HE ARG 1 -10.053 9.409 -0.505
31 HH11 ARG 1 1HH2 ARG 1 -9.039 6.894 -2.662
32 HH12 ARG 1 2HH2 ARG 1 -9.350 7.812 -4.096
33 HH21 ARG 1 1HH1 ARG 1 -10.458 10.616 -2.381
34 HH22 ARG 1 2HH1 ARG 1 -10.148 9.922 -3.938
35 H SER 2 H SER 2 -4.238 6.646 1.569
36 HA SER 2 HA SER 2 -4.424 5.453 -1.125
37 HB2 SER 2 2HB SER 2 -2.231 5.776 -1.489
38 HB3 SER 2 1HB SER 2 -2.255 6.863 -0.104
39 HG SER 2 HG SER 2 -1.667 4.087 -0.156
40 H CYS 3 H CYS 3 -5.664 4.675 1.455
41 HA CYS 3 HA CYS 3 -4.264 2.172 2.085
42 HB2 CYS 3 2HB CYS 3 -6.318 3.849 3.438
43 HB3 CYS 3 1HB CYS 3 -6.400 2.110 3.710
44 H ILE 4 H ILE 4 -4.833 1.532 -0.217
45 HA ILE 4 HA ILE 4 -7.382 0.063 -0.162
46 HB ILE 4 HB ILE 4 -7.205 0.773 -2.800
47 HG12 ILE 4 2HG1 ILE 4 -6.522 3.232 -1.154
48 HG13 ILE 4 1HG1 ILE 4 -5.370 2.385 -2.187
49 HG21 ILE 4 1HG2 ILE 4 -8.737 1.776 -0.429
50 HG22 ILE 4 2HG2 ILE 4 -9.314 0.884 -1.837
51 HG23 ILE 4 31HG ILE 4 -8.940 2.602 -1.975
52 HD11 ILE 4 3HD1 ILE 4 -6.208 3.336 -4.054
53 HD12 ILE 4 1HD1 ILE 4 -7.094 4.426 -2.986
54 HD13 ILE 4 2HD1 ILE 4 -7.865 2.956 -3.586
55 H ASP 5 H ASP 5 -7.080 -1.995 -0.664
56 HA ASP 5 HA ASP 5 -4.614 -2.770 -2.087
57 HB2 ASP 5 2HB ASP 5 -4.990 -5.001 -1.046
58 HB3 ASP 5 1HB ASP 5 -4.746 -3.713 0.132
59 H THR 6 H THR 6 -4.767 -4.695 -3.445
60 HA THR 6 HA THR 6 -7.396 -5.202 -4.650
61 HB THR 6 HB THR 6 -6.454 -4.909 -6.918
62 HG1 THR 6 1HG THR 6 -4.294 -3.500 -5.920
63 HG21 THR 6 31HG THR 6 -7.617 -3.035 -5.721
64 HG22 THR 6 1HG2 THR 6 -6.445 -2.480 -6.919
65 HG23 THR 6 2HG2 THR 6 -6.036 -2.450 -5.204
66 H ILE 7 H ILE 7 -5.486 -6.627 -2.920
67 HA ILE 7 HA ILE 7 -4.985 -8.970 -4.656
68 HB ILE 7 HB ILE 7 -3.020 -7.426 -3.800
69 HG12 ILE 7 2HG1 ILE 7 -3.095 -10.433 -3.929
70 HG13 ILE 7 1HG1 ILE 7 -2.458 -9.297 -5.114
71 HG21 ILE 7 1HG2 ILE 7 -2.096 -8.166 -1.668
72 HG22 ILE 7 2HG2 ILE 7 -3.362 -9.376 -1.502
73 HG23 ILE 7 31HG ILE 7 -3.766 -7.661 -1.414
74 HD11 ILE 7 3HD1 ILE 7 -1.271 -9.856 -2.382
75 HD12 ILE 7 1HD1 ILE 7 -0.642 -8.698 -3.553
76 HD13 ILE 7 2HD1 ILE 7 -0.630 -10.419 -3.922
77 HA PRO 8 HA PRO 8 -7.611 -10.980 -1.627
78 HB2 PRO 8 2HB PRO 8 -6.237 -13.489 -2.003
79 HB3 PRO 8 1HB PRO 8 -7.849 -13.023 -2.562
80 HG2 PRO 8 2HG PRO 8 -5.399 -13.230 -4.057
81 HG3 PRO 8 1HG PRO 8 -7.046 -12.967 -4.643
82 HD2 PRO 8 2HD PRO 8 -4.987 -11.085 -4.672
83 HD3 PRO 8 1HD PRO 8 -6.711 -10.723 -4.870
84 H LYS 9 H LYS 9 -6.577 -9.782 0.062
85 HA LYS 9 HA LYS 9 -4.460 -9.646 1.446
86 HB2 LYS 9 2HB LYS 9 -6.158 -10.983 3.359
87 HB3 LYS 9 1HB LYS 9 -5.759 -9.273 3.228
88 HG2 LYS 9 2HG LYS 9 -8.135 -9.433 2.985
89 HG3 LYS 9 1HG LYS 9 -7.496 -9.126 1.374
90 HD2 LYS 9 2HD LYS 9 -8.845 -10.907 0.844
91 HD3 LYS 9 1HD LYS 9 -7.431 -11.823 1.361
92 HE2 LYS 9 2HE LYS 9 -8.367 -11.990 3.639
93 HE3 LYS 9 1HE LYS 9 -9.781 -11.070 3.123
94 HZ1 LYS 9 3HZ LYS 9 -10.154 -12.828 1.426
95 HZ2 LYS 9 1HZ LYS 9 -10.330 -13.362 3.026
96 HZ3 LYS 9 2HZ LYS 9 -8.921 -13.740 2.158
97 H SER 10 H SER 10 -6.119 -12.801 1.481
98 HA SER 10 HA SER 10 -4.372 -14.262 3.022
99 HB2 SER 10 2HB SER 10 -6.067 -14.995 0.656
100 HB3 SER 10 1HB SER 10 -5.044 -16.200 1.433
101 HG SER 10 HG SER 10 -6.088 -15.635 3.414
102 H ARG 11 H ARG 11 -3.423 -12.543 0.373
103 HA ARG 11 HA ARG 11 -1.391 -14.508 -0.432
104 HB2 ARG 11 2HB ARG 11 -2.865 -12.451 -1.832
105 HB3 ARG 11 1HB ARG 11 -1.130 -12.205 -2.022
106 HG2 ARG 11 2HG ARG 11 -1.013 -14.733 -2.549
107 HG3 ARG 11 1HG ARG 11 -2.763 -14.643 -2.745
108 HD2 ARG 11 2HD ARG 11 -2.619 -13.388 -4.668
109 HD3 ARG 11 1HD ARG 11 -1.130 -12.592 -4.166
110 HE ARG 11 HE ARG 11 -0.986 -15.445 -4.850
111 HH11 ARG 11 1HH2 ARG 11 -0.420 -12.124 -5.647
112 HH12 ARG 11 2HH2 ARG 11 0.743 -12.477 -6.881
113 HH21 ARG 11 1HH1 ARG 11 0.542 -15.910 -6.462
114 HH22 ARG 11 2HH1 ARG 11 1.294 -14.618 -7.335
115 H CYS 12 H CYS 12 -1.807 -11.655 1.417
116 HA CYS 12 HA CYS 12 0.937 -10.751 1.208
117 HB2 CYS 12 2HB CYS 12 -1.290 -9.991 3.107
118 HB3 CYS 12 1HB CYS 12 0.277 -9.189 3.027
119 H THR 13 H THR 13 2.279 -12.385 1.864
120 HA THR 13 HA THR 13 1.872 -13.571 4.522
121 HB THR 13 HB THR 13 3.160 -15.340 3.818
122 HG1 THR 13 1HG THR 13 5.014 -15.035 2.871
123 HG21 THR 13 31HG THR 13 2.445 -15.967 1.673
124 HG22 THR 13 1HG2 THR 13 2.556 -14.321 1.052
125 HG23 THR 13 2HG2 THR 13 1.245 -14.764 2.145
126 H ALA 14 H ALA 14 3.698 -13.702 6.006
127 HA ALA 14 HA ALA 14 4.892 -11.225 6.535
128 HB1 ALA 14 1HB ALA 14 4.681 -13.606 7.881
129 HB2 ALA 14 2HB ALA 14 5.669 -12.242 8.404
130 HB3 ALA 14 3HB ALA 14 6.402 -13.563 7.494
131 H PHE 15 H PHE 15 5.641 -13.556 4.205
132 HA PHE 15 HA PHE 15 8.461 -12.802 3.991
133 HB2 PHE 15 2HB PHE 15 8.324 -15.059 3.558
134 HB3 PHE 15 1HB PHE 15 6.723 -14.933 2.834
135 HD1 PHE 15 2HD PHE 15 6.517 -13.795 0.545
136 HD2 PHE 15 1HD PHE 15 10.267 -15.064 2.208
137 HE1 PHE 15 2HE PHE 15 7.538 -13.728 -1.712
138 HE2 PHE 15 1HE PHE 15 11.289 -15.000 -0.051
139 HZ PHE 15 HZ PHE 15 9.925 -14.331 -2.011
140 H GLN 16 H GLN 16 5.423 -12.522 2.176
141 HA GLN 16 HA GLN 16 6.583 -11.209 -0.072
142 HB2 GLN 16 2HB GLN 16 3.977 -12.070 0.768
143 HB3 GLN 16 1HB GLN 16 3.877 -10.395 0.232
144 HG2 GLN 16 2HG GLN 16 3.579 -11.585 -1.755
145 HG3 GLN 16 1HG GLN 16 5.298 -11.219 -1.803
146 HE21 GLN 16 1HE2 GLN 16 5.619 -13.162 -3.166
147 HE22 GLN 16 2HE2 GLN 16 5.599 -14.708 -2.464
148 H CYS 17 H CYS 17 5.344 -10.200 3.012
149 HA CYS 17 HA CYS 17 5.198 -7.390 2.464
150 HB2 CYS 17 2HB CYS 17 5.114 -9.130 4.906
151 HB3 CYS 17 1HB CYS 17 5.419 -7.408 5.116
152 H LYS 18 H LYS 18 7.762 -8.846 1.804
153 HA LYS 18 HA LYS 18 9.522 -6.775 2.739
154 HB2 LYS 18 2HB LYS 18 9.278 -8.915 4.467
155 HB3 LYS 18 1HB LYS 18 10.731 -9.305 3.543
156 HG2 LYS 18 2HG LYS 18 11.562 -6.971 3.999
157 HG3 LYS 18 1HG LYS 18 10.182 -6.746 5.075
158 HD2 LYS 18 2HD LYS 18 10.935 -8.734 6.387
159 HD3 LYS 18 1HD LYS 18 12.365 -8.831 5.358
160 HE2 LYS 18 2HE LYS 18 13.040 -6.573 6.044
161 HE3 LYS 18 1HE LYS 18 11.591 -6.427 7.039
162 HZ1 LYS 18 3HZ LYS 18 12.452 -8.567 8.133
163 HZ2 LYS 18 1HZ LYS 18 13.200 -7.098 8.535
164 HZ3 LYS 18 2HZ LYS 18 13.946 -8.156 7.435
165 H HIS 19 H HIS 19 8.899 -9.550 0.746
166 HA HIS 19 HA HIS 19 11.528 -9.228 -0.550
167 HB2 HIS 19 2HB HIS 19 9.538 -11.481 -0.849
168 HB3 HIS 19 1HB HIS 19 11.177 -11.430 -1.499
169 HD1 HIS 19 1HD HIS 19 9.806 -10.630 1.974
170 HD2 HIS 19 2HD HIS 19 12.699 -13.023 0.164
171 HE1 HIS 19 1HE HIS 19 11.042 -11.790 3.846
172 HE2 HIS 19 2HE HIS 19 12.807 -13.262 2.763
173 H SER 20 H SER 20 8.229 -8.459 -1.035
174 HA SER 20 HA SER 20 8.766 -8.072 -3.925
175 HB2 SER 20 2HB SER 20 6.160 -8.796 -2.576
176 HB3 SER 20 1HB SER 20 6.312 -8.356 -4.275
177 HG SER 20 HG SER 20 8.070 -10.285 -3.350
178 H NLE 21 H NLE 21 9.623 -5.995 -2.951
179 HA NLE 21 HA NLE 21 8.743 -3.950 -1.694
180 HB2 NLE 21 1HB NLE 21 9.094 -3.555 -4.665
181 HB3 NLE 21 2HB NLE 21 10.436 -3.837 -3.557
182 HG2 NLE 21 1HG NLE 21 8.712 -1.792 -2.478
183 HG3 NLE 21 2HG NLE 21 9.149 -1.372 -4.133
184 HD2 NLE 21 1HD NLE 21 11.245 -2.335 -2.198
185 HD3 NLE 21 2HD NLE 21 10.737 -0.648 -2.197
186 HE1 NLE 21 3HE NLE 21 11.281 -0.488 -4.604
187 HE2 NLE 21 1HE NLE 21 11.800 -2.174 -4.595
188 HE3 NLE 21 2HE NLE 21 12.694 -0.972 -3.664
189 H LYS 22 H LYS 22 7.005 -4.781 -4.710
190 HA LYS 22 HA LYS 22 5.050 -2.752 -4.286
191 HB2 LYS 22 2HB LYS 22 3.978 -3.511 -6.233
192 HB3 LYS 22 1HB LYS 22 5.686 -3.801 -6.521
193 HG2 LYS 22 2HG LYS 22 4.177 -6.053 -5.291
194 HG3 LYS 22 1HG LYS 22 3.772 -5.658 -6.953
195 HD2 LYS 22 2HD LYS 22 6.666 -5.736 -6.385
196 HD3 LYS 22 1HD LYS 22 5.841 -7.284 -6.233
197 HE2 LYS 22 2HE LYS 22 6.527 -7.132 -8.516
198 HE3 LYS 22 1HE LYS 22 4.796 -6.801 -8.512
199 HZ1 LYS 22 3HZ LYS 22 7.038 -4.982 -8.973
200 HZ2 LYS 22 1HZ LYS 22 5.668 -4.356 -8.194
201 HZ3 LYS 22 2HZ LYS 22 5.523 -5.051 -9.738
202 H TYR 23 H TYR 23 5.363 -4.477 -1.971
203 HA TYR 23 HA TYR 23 2.583 -5.481 -1.841
204 HB2 TYR 23 2HB TYR 23 5.122 -6.690 -0.866
205 HB3 TYR 23 1HB TYR 23 3.688 -6.888 0.141
206 HD1 TYR 23 1HD TYR 23 4.699 -7.108 -3.473
207 HD2 TYR 23 2HD TYR 23 2.249 -8.690 -0.328
208 HE1 TYR 23 1HE TYR 23 3.874 -8.867 -5.004
209 HE2 TYR 23 2HE TYR 23 1.414 -10.443 -1.861
210 HH TYR 23 HH TYR 23 2.774 -10.862 -5.086
211 H ARG 24 H ARG 24 5.253 -4.109 0.137
212 HA ARG 24 HA ARG 24 3.648 -3.453 2.376
213 HB2 ARG 24 2HB ARG 24 6.228 -2.275 1.338
214 HB3 ARG 24 1HB ARG 24 5.467 -1.735 2.831
215 HG2 ARG 24 2HG ARG 24 6.230 -3.526 3.965
216 HG3 ARG 24 1HG ARG 24 5.652 -4.639 2.724
217 HD2 ARG 24 2HD ARG 24 8.226 -3.040 2.618
218 HD3 ARG 24 1HD ARG 24 8.097 -4.779 2.888
219 HE ARG 24 HE ARG 24 7.620 -3.372 0.363
220 HH11 ARG 24 1HH2 ARG 24 7.738 -6.259 2.226
221 HH12 ARG 24 2HH2 ARG 24 7.423 -7.308 0.884
222 HH21 ARG 24 1HH1 ARG 24 7.169 -4.735 -1.387
223 HH22 ARG 24 2HH1 ARG 24 7.094 -6.444 -1.148
224 H LEU 25 H LEU 25 4.074 -1.892 -0.725
225 HA LEU 25 HA LEU 25 2.152 0.165 0.119
226 HB2 LEU 25 2HB LEU 25 3.490 1.948 -0.874
227 HB3 LEU 25 1HB LEU 25 4.397 1.141 0.406
228 HG LEU 25 HG LEU 25 4.835 -0.209 -2.113
229 HD11 LEU 25 1HD1 LEU 25 5.689 2.697 -2.069
230 HD12 LEU 25 2HD1 LEU 25 4.282 2.124 -2.964
231 HD13 LEU 25 3HD1 LEU 25 5.892 1.537 -3.383
232 HD21 LEU 25 31HD LEU 25 6.613 1.367 -0.224
233 HD22 LEU 25 1HD2 LEU 25 7.206 0.348 -1.535
234 HD23 LEU 25 2HD2 LEU 25 6.328 -0.373 -0.187
235 H SER 26 H SER 26 1.356 -1.903 -1.402
236 HA SER 26 HA SER 26 0.565 -0.578 -3.831
237 HB2 SER 26 2HB SER 26 2.763 -2.509 -3.899
238 HB3 SER 26 1HB SER 26 1.432 -2.945 -4.964
239 HG SER 26 HG SER 26 2.710 -1.567 -6.109
240 H PHE 27 H PHE 27 0.926 -3.878 -2.560
241 HA PHE 27 HA PHE 27 -1.901 -4.394 -3.175
242 HB2 PHE 27 2HB PHE 27 0.234 -6.337 -2.315
243 HB3 PHE 27 1HB PHE 27 -1.314 -6.704 -3.034
244 HD1 PHE 27 1HD PHE 27 -1.205 -4.364 -5.138
245 HD2 PHE 27 2HD PHE 27 1.552 -7.441 -3.965
246 HE1 PHE 27 1HE PHE 27 -0.140 -4.260 -7.365
247 HE2 PHE 27 2HE PHE 27 2.614 -7.342 -6.199
248 HZ PHE 27 HZ PHE 27 1.768 -5.750 -7.902
249 H CYS 28 H CYS 28 0.409 -5.030 -0.525
250 HA CYS 28 HA CYS 28 -1.838 -5.381 1.304
251 HB2 CYS 28 2HB CYS 28 1.038 -5.530 2.115
252 HB3 CYS 28 1HB CYS 28 -0.346 -6.396 2.779
253 H ARG 29 H ARG 29 -2.299 -3.049 0.854
254 HA ARG 29 HA ARG 29 -0.640 -1.004 1.877
255 HB2 ARG 29 2HB ARG 29 -3.607 -1.130 1.352
256 HB3 ARG 29 1HB ARG 29 -2.726 0.352 1.713
257 HG2 ARG 29 2HG ARG 29 -1.322 -1.049 -0.356
258 HG3 ARG 29 1HG ARG 29 -3.025 -0.965 -0.807
259 HD2 ARG 29 2HD ARG 29 -1.439 1.012 -1.454
260 HD3 ARG 29 1HD ARG 29 -3.043 1.368 -0.827
261 HE ARG 29 HE ARG 29 -2.005 1.857 1.322
262 HH11 ARG 29 1HH2 ARG 29 0.118 1.474 -1.400
263 HH12 ARG 29 2HH2 ARG 29 1.429 2.322 -0.655
264 HH21 ARG 29 1HH1 ARG 29 -0.289 2.948 2.288
265 HH22 ARG 29 2HH1 ARG 29 1.201 3.156 1.427
266 H LYS 30 H LYS 30 -2.260 -3.419 3.529
267 HA LYS 30 HA LYS 30 -2.249 -1.812 5.994
268 HB2 LYS 30 2HB LYS 30 -4.357 -3.886 5.829
269 HB3 LYS 30 1HB LYS 30 -4.383 -2.313 6.613
270 HG2 LYS 30 2HG LYS 30 -5.691 -1.632 4.908
271 HG3 LYS 30 1HG LYS 30 -4.257 -1.687 3.896
272 HD2 LYS 30 2HD LYS 30 -6.136 -4.017 4.369
273 HD3 LYS 30 1HD LYS 30 -6.126 -3.002 2.927
274 HE2 LYS 30 2HE LYS 30 -3.701 -3.644 2.605
275 HE3 LYS 30 1HE LYS 30 -3.910 -4.817 3.903
276 HZ1 LYS 30 3HZ LYS 30 -6.032 -5.093 2.096
277 HZ2 LYS 30 1HZ LYS 30 -4.815 -6.214 2.471
278 HZ3 LYS 30 2HZ LYS 30 -4.583 -5.098 1.211
279 H THR 31 H THR 31 -2.446 -5.100 4.637
280 HA THR 31 HA THR 31 -1.940 -6.566 6.916
281 HB THR 31 HB THR 31 -0.428 -7.664 4.707
282 HG1 THR 31 1HG THR 31 -1.837 -6.159 3.589
283 HG21 THR 31 31HG THR 31 -2.332 -9.358 4.898
284 HG22 THR 31 1HG2 THR 31 -2.985 -8.336 6.177
285 HG23 THR 31 2HG2 THR 31 -1.399 -9.083 6.368
286 H CYS 32 H CYS 32 0.585 -5.548 4.582
287 HA CYS 32 HA CYS 32 2.779 -6.241 6.156
288 HB2 CYS 32 2HB CYS 32 2.487 -3.934 4.219
289 HB3 CYS 32 1HB CYS 32 4.020 -4.470 4.898
290 H GLY 33 H GLY 33 0.335 -4.196 6.938
291 HA2 GLY 33 2HA GLY 33 0.015 -2.754 8.702
292 HA3 GLY 33 1HA GLY 33 1.622 -3.202 9.275
293 H THR 34 H THR 34 0.915 -1.904 6.076
294 HA THR 34 HA THR 34 2.784 0.283 6.638
295 HB THR 34 HB THR 34 3.103 -0.974 4.578
296 HG1 THR 34 1HG THR 34 3.569 1.261 4.589
297 HG21 THR 34 31HG THR 34 0.933 -0.018 3.005
298 HG22 THR 34 1HG2 THR 34 0.255 -0.778 4.445
299 HG23 THR 34 2HG2 THR 34 1.339 -1.691 3.395
300 H CYS 35 H CYS 35 -0.650 -0.145 5.856
301 HA CYS 35 HA CYS 35 -1.493 2.326 5.144
302 HB2 CYS 35 2HB CYS 35 -2.657 0.178 6.752
303 HB3 CYS 35 1HB CYS 35 -3.317 1.766 7.131
304 HN1 NH2 36 H2 NH2 36 -0.404 3.034 9.020
305 HN2 NH2 36 H1 NH2 36 -0.478 1.440 8.444
Start of MODEL 14
1 HA PFX 0 HA PFX 0 -5.648 18.390 0.056
2 H1N PFX 0 H1N PFX 0 -7.838 19.965 0.029
3 H2N PFX 0 H2N PFX 0 -7.885 19.276 -1.523
4 H3N PFX 0 H3N PFX 0 -6.509 20.130 -1.011
5 H1B PFX 0 1HB PFX 0 -7.152 16.841 1.400
6 H2B PFX 0 2HB PFX 0 -8.499 17.879 0.936
7 HD1 PFX 0 HD1 PFX 0 -5.274 17.760 2.764
8 HD2 PFX 0 HD2 PFX 0 -8.800 20.051 1.905
9 HE1 PFX 0 HE1 PFX 0 -4.687 19.343 4.578
10 HE2 PFX 0 HE2 PFX 0 -8.216 21.634 3.718
11 HNH PFX 0 HNH PFX 0 -4.869 17.182 -1.589
12 H11 PFX 0 1HNH PFX 0 -4.670 15.304 -2.905
13 H21 PFX 0 2HNH PFX 0 -6.294 15.677 -3.476
14 H12 PFX 0 1H2 PFX 0 -7.307 14.279 -1.918
15 H22 PFX 0 2H2 PFX 0 -5.963 14.403 -0.782
16 H14 PFX 0 1H4 PFX 0 -5.606 12.169 -4.242
17 H24 PFX 0 2H4 PFX 0 -6.616 13.611 -4.144
18 H15 PFX 0 1H5 PFX 0 -7.350 10.845 -3.719
19 H25 PFX 0 2H5 PFX 0 -8.392 12.263 -3.820
20 H17 PFX 0 1H7 PFX 0 -6.929 10.863 -0.210
21 H27 PFX 0 2H7 PFX 0 -5.938 10.771 -1.666
22 H ARG 1 H ARG 1 -7.888 9.070 0.343
23 HA ARG 1 HA ARG 1 -7.837 6.759 0.367
24 HB2 ARG 1 2HB ARG 1 -10.067 7.596 -0.789
25 HB3 ARG 1 1HB ARG 1 -9.360 6.813 -2.205
26 HG2 ARG 1 2HG ARG 1 -9.304 4.695 -1.152
27 HG3 ARG 1 1HG ARG 1 -9.519 5.390 0.454
28 HD2 ARG 1 2HD ARG 1 -11.640 4.491 -0.111
29 HD3 ARG 1 1HD ARG 1 -11.794 6.225 -0.375
30 HE ARG 1 HE ARG 1 -11.222 5.571 -2.820
31 HH11 ARG 1 1HH2 ARG 1 -13.001 3.648 -0.543
32 HH12 ARG 1 2HH2 ARG 1 -13.936 2.843 -1.757
33 HH21 ARG 1 1HH1 ARG 1 -12.455 4.514 -4.402
34 HH22 ARG 1 2HH1 ARG 1 -13.628 3.329 -3.932
35 H SER 2 H SER 2 -5.483 6.867 -0.199
36 HA SER 2 HA SER 2 -4.972 5.812 -2.910
37 HB2 SER 2 2HB SER 2 -2.575 6.445 -2.408
38 HB3 SER 2 1HB SER 2 -3.689 7.803 -2.529
39 HG SER 2 HG SER 2 -3.891 7.428 -0.128
40 H CYS 3 H CYS 3 -5.493 4.792 0.150
41 HA CYS 3 HA CYS 3 -3.528 2.590 0.015
42 HB2 CYS 3 2HB CYS 3 -4.214 4.268 2.121
43 HB3 CYS 3 1HB CYS 3 -5.100 2.785 2.465
44 H ILE 4 H ILE 4 -4.551 1.107 -1.306
45 HA ILE 4 HA ILE 4 -6.766 -0.333 -0.135
46 HB ILE 4 HB ILE 4 -7.782 0.001 -2.682
47 HG12 ILE 4 2HG1 ILE 4 -7.114 2.757 -1.640
48 HG13 ILE 4 1HG1 ILE 4 -6.070 1.937 -2.803
49 HG21 ILE 4 1HG2 ILE 4 -9.362 1.641 -1.358
50 HG22 ILE 4 2HG2 ILE 4 -8.407 1.128 0.031
51 HG23 ILE 4 31HG ILE 4 -9.301 -0.063 -0.910
52 HD11 ILE 4 3HD1 ILE 4 -8.786 1.688 -3.687
53 HD12 ILE 4 1HD1 ILE 4 -7.450 2.521 -4.480
54 HD13 ILE 4 2HD1 ILE 4 -8.466 3.385 -3.326
55 H ASP 5 H ASP 5 -6.477 -2.420 -0.525
56 HA ASP 5 HA ASP 5 -4.461 -3.281 -2.417
57 HB2 ASP 5 2HB ASP 5 -4.875 -5.511 -1.498
58 HB3 ASP 5 1HB ASP 5 -4.667 -4.343 -0.193
59 H THR 6 H THR 6 -4.889 -4.995 -3.991
60 HA THR 6 HA THR 6 -7.658 -4.989 -5.014
61 HB THR 6 HB THR 6 -6.689 -4.917 -7.326
62 HG1 THR 6 1HG THR 6 -4.480 -3.898 -7.211
63 HG21 THR 6 31HG THR 6 -7.478 -2.895 -5.836
64 HG22 THR 6 1HG2 THR 6 -6.665 -2.590 -7.371
65 HG23 THR 6 2HG2 THR 6 -5.767 -2.469 -5.858
66 H ILE 7 H ILE 7 -5.540 -6.831 -3.585
67 HA ILE 7 HA ILE 7 -6.183 -9.186 -5.238
68 HB ILE 7 HB ILE 7 -4.025 -9.679 -5.561
69 HG12 ILE 7 2HG1 ILE 7 -4.010 -10.671 -3.253
70 HG13 ILE 7 1HG1 ILE 7 -2.445 -10.030 -3.741
71 HG21 ILE 7 1HG2 ILE 7 -3.457 -7.119 -4.044
72 HG22 ILE 7 2HG2 ILE 7 -3.851 -7.224 -5.760
73 HG23 ILE 7 31HG ILE 7 -2.353 -7.931 -5.154
74 HD11 ILE 7 3HD1 ILE 7 -3.889 -7.895 -2.525
75 HD12 ILE 7 1HD1 ILE 7 -2.430 -8.694 -1.937
76 HD13 ILE 7 2HD1 ILE 7 -4.013 -9.300 -1.464
77 HA PRO 8 HA PRO 8 -7.901 -11.017 -1.659
78 HB2 PRO 8 2HB PRO 8 -6.723 -13.577 -1.924
79 HB3 PRO 8 1HB PRO 8 -8.285 -13.058 -2.576
80 HG2 PRO 8 2HG PRO 8 -5.689 -13.363 -3.926
81 HG3 PRO 8 1HG PRO 8 -7.329 -13.454 -4.585
82 HD2 PRO 8 2HD PRO 8 -5.660 -11.328 -5.020
83 HD3 PRO 8 1HD PRO 8 -7.432 -11.187 -5.006
84 H LYS 9 H LYS 9 -7.000 -10.130 0.166
85 HA LYS 9 HA LYS 9 -4.500 -9.870 1.064
86 HB2 LYS 9 2HB LYS 9 -6.996 -10.623 2.540
87 HB3 LYS 9 1HB LYS 9 -5.465 -10.546 3.414
88 HG2 LYS 9 2HG LYS 9 -5.119 -8.238 2.528
89 HG3 LYS 9 1HG LYS 9 -6.712 -8.320 1.775
90 HD2 LYS 9 2HD LYS 9 -7.023 -7.194 3.864
91 HD3 LYS 9 1HD LYS 9 -7.646 -8.828 4.090
92 HE2 LYS 9 2HE LYS 9 -6.098 -7.886 5.932
93 HE3 LYS 9 1HE LYS 9 -5.744 -9.504 5.328
94 HZ1 LYS 9 3HZ LYS 9 -4.010 -8.686 3.991
95 HZ2 LYS 9 1HZ LYS 9 -3.803 -7.939 5.500
96 HZ3 LYS 9 2HZ LYS 9 -4.484 -7.068 4.209
97 H SER 10 H SER 10 -6.123 -12.907 0.640
98 HA SER 10 HA SER 10 -4.442 -14.522 2.261
99 HB2 SER 10 2HB SER 10 -5.381 -16.394 1.037
100 HB3 SER 10 1HB SER 10 -6.661 -15.232 1.374
101 HG SER 10 HG SER 10 -6.192 -16.178 -0.912
102 H ARG 11 H ARG 11 -3.245 -12.552 0.227
103 HA ARG 11 HA ARG 11 -1.389 -14.467 -1.057
104 HB2 ARG 11 2HB ARG 11 -2.672 -11.964 -2.033
105 HB3 ARG 11 1HB ARG 11 -1.002 -12.252 -2.517
106 HG2 ARG 11 2HG ARG 11 -2.721 -14.628 -2.758
107 HG3 ARG 11 1HG ARG 11 -3.211 -13.289 -3.795
108 HD2 ARG 11 2HD ARG 11 -0.426 -14.476 -3.644
109 HD3 ARG 11 1HD ARG 11 -1.580 -14.728 -4.947
110 HE ARG 11 HE ARG 11 -0.330 -12.122 -4.294
111 HH11 ARG 11 1HH2 ARG 11 -1.853 -14.340 -6.490
112 HH12 ARG 11 2HH2 ARG 11 -1.635 -13.322 -7.871
113 HH21 ARG 11 1HH1 ARG 11 -0.057 -10.795 -6.103
114 HH22 ARG 11 2HH1 ARG 11 -0.626 -11.317 -7.654
115 H CYS 12 H CYS 12 -1.764 -12.044 1.257
116 HA CYS 12 HA CYS 12 0.926 -10.976 1.094
117 HB2 CYS 12 2HB CYS 12 -1.446 -10.543 2.868
118 HB3 CYS 12 1HB CYS 12 0.150 -10.048 3.435
119 H THR 13 H THR 13 2.450 -12.490 1.495
120 HA THR 13 HA THR 13 2.167 -14.100 3.957
121 HB THR 13 HB THR 13 3.387 -15.790 2.962
122 HG1 THR 13 1HG THR 13 4.466 -14.580 0.815
123 HG21 THR 13 31HG THR 13 1.316 -14.850 1.514
124 HG22 THR 13 1HG2 THR 13 2.251 -16.260 1.029
125 HG23 THR 13 2HG2 THR 13 2.601 -14.680 0.318
126 H ALA 14 H ALA 14 4.131 -14.450 5.224
127 HA ALA 14 HA ALA 14 5.421 -12.070 5.936
128 HB1 ALA 14 1HB ALA 14 5.389 -14.760 6.842
129 HB2 ALA 14 2HB ALA 14 6.021 -13.340 7.676
130 HB3 ALA 14 3HB ALA 14 7.076 -14.290 6.634
131 H PHE 15 H PHE 15 5.849 -13.940 3.216
132 HA PHE 15 HA PHE 15 8.701 -13.350 2.910
133 HB2 PHE 15 2HB PHE 15 8.427 -15.460 2.063
134 HB3 PHE 15 1HB PHE 15 6.749 -15.170 1.606
135 HD1 PHE 15 2HD PHE 15 10.171 -13.890 0.736
136 HD2 PHE 15 1HD PHE 15 6.274 -15.020 -0.669
137 HE1 PHE 15 2HE PHE 15 10.883 -13.450 -1.599
138 HE2 PHE 15 1HE PHE 15 6.984 -14.580 -3.003
139 HZ PHE 15 HZ PHE 15 9.289 -13.790 -3.468
140 H GLN 16 H GLN 16 5.558 -12.420 1.659
141 HA GLN 16 HA GLN 16 6.600 -10.840 -0.511
142 HB2 GLN 16 2HB GLN 16 3.866 -10.870 0.793
143 HB3 GLN 16 1HB GLN 16 4.266 -10.050 -0.717
144 HG2 GLN 16 2HG GLN 16 4.864 -12.980 -0.384
145 HG3 GLN 16 1HG GLN 16 3.240 -12.450 -0.819
146 HE21 GLN 16 1HE2 GLN 16 6.617 -12.520 -1.932
147 HE22 GLN 16 2HE2 GLN 16 6.265 -12.140 -3.550
148 H CYS 17 H CYS 17 5.416 -10.190 2.760
149 HA CYS 17 HA CYS 17 5.648 -7.340 2.552
150 HB2 CYS 17 2HB CYS 17 4.139 -8.590 4.143
151 HB3 CYS 17 1HB CYS 17 5.578 -9.010 5.070
152 H LYS 18 H LYS 18 7.990 -9.620 2.520
153 HA LYS 18 HA LYS 18 9.905 -7.900 3.975
154 HB2 LYS 18 2HB LYS 18 9.775 -10.900 3.695
155 HB3 LYS 18 1HB LYS 18 11.267 -10.070 4.138
156 HG2 LYS 18 2HG LYS 18 9.761 -8.880 5.929
157 HG3 LYS 18 1HG LYS 18 8.685 -10.250 5.661
158 HD2 LYS 18 2HD LYS 18 10.539 -11.810 6.155
159 HD3 LYS 18 1HD LYS 18 11.610 -10.440 6.434
160 HE2 LYS 18 2HE LYS 18 9.081 -10.340 7.952
161 HE3 LYS 18 1HE LYS 18 10.152 -11.670 8.396
162 HZ1 LYS 18 3HZ LYS 18 10.831 -9.890 9.715
163 HZ2 LYS 18 1HZ LYS 18 10.706 -8.770 8.449
164 HZ3 LYS 18 2HZ LYS 18 11.963 -9.910 8.448
165 H HIS 19 H HIS 19 9.300 -9.910 1.156
166 HA HIS 19 HA HIS 19 11.798 -8.940 -0.067
167 HB2 HIS 19 2HB HIS 19 9.995 -11.180 -0.999
168 HB3 HIS 19 1HB HIS 19 11.613 -10.800 -1.592
169 HD1 HIS 19 1HD HIS 19 10.084 -11.420 1.860
170 HD2 HIS 19 2HD HIS 19 13.454 -12.440 -0.372
171 HE1 HIS 19 1HE HIS 19 11.499 -12.910 3.340
172 HE2 HIS 19 2HE HIS 19 13.560 -13.540 1.994
173 H SER 20 H SER 20 8.315 -9.300 -0.667
174 HA SER 20 HA SER 20 8.475 -7.790 -3.142
175 HB2 SER 20 2HB SER 20 6.040 -8.700 -1.594
176 HB3 SER 20 1HB SER 20 6.065 -8.100 -3.249
177 HG SER 20 HG SER 20 7.607 -10.320 -2.394
178 H NLE 21 H NLE 21 8.580 -5.650 -3.185
179 HA NLE 21 HA NLE 21 7.971 -4.080 -0.841
180 HB2 NLE 21 1HB NLE 21 9.068 -3.480 -3.579
181 HB3 NLE 21 2HB NLE 21 9.875 -3.340 -2.017
182 HG2 NLE 21 1HG NLE 21 8.032 -1.580 -1.487
183 HG3 NLE 21 2HG NLE 21 7.798 -1.540 -3.237
184 HD2 NLE 21 1HD NLE 21 10.373 -1.230 -3.357
185 HD3 NLE 21 2HD NLE 21 10.258 -0.810 -1.650
186 HE1 NLE 21 3HE NLE 21 8.235 0.570 -3.231
187 HE2 NLE 21 1HE NLE 21 9.861 0.910 -3.819
188 HE3 NLE 21 2HE NLE 21 9.445 1.230 -2.137
189 H LYS 22 H LYS 22 6.557 -4.660 -4.008
190 HA LYS 22 HA LYS 22 4.633 -2.600 -4.003
191 HB2 LYS 22 2HB LYS 22 3.366 -4.200 -5.530
192 HB3 LYS 22 1HB LYS 22 4.997 -3.760 -6.039
193 HG2 LYS 22 2HG LYS 22 5.392 -5.980 -4.392
194 HG3 LYS 22 1HG LYS 22 3.939 -6.380 -5.299
195 HD2 LYS 22 2HD LYS 22 5.086 -5.850 -7.401
196 HD3 LYS 22 1HD LYS 22 6.542 -5.420 -6.502
197 HE2 LYS 22 2HE LYS 22 5.232 -8.160 -6.417
198 HE3 LYS 22 1HE LYS 22 6.618 -7.750 -7.429
199 HZ1 LYS 22 3HZ LYS 22 6.699 -8.610 -4.835
200 HZ2 LYS 22 1HZ LYS 22 7.000 -6.950 -4.718
201 HZ3 LYS 22 2HZ LYS 22 7.983 -7.920 -5.706
202 H TYR 23 H TYR 23 4.946 -5.300 -2.002
203 HA TYR 23 HA TYR 23 2.096 -5.660 -1.535
204 HB2 TYR 23 2HB TYR 23 4.613 -6.910 -0.533
205 HB3 TYR 23 1HB TYR 23 3.187 -7.000 0.502
206 HD1 TYR 23 2HD TYR 23 4.018 -7.350 -3.151
207 HD2 TYR 23 1HD TYR 23 1.812 -8.850 0.214
208 HE1 TYR 23 2HE TYR 23 3.100 -9.160 -4.565
209 HE2 TYR 23 1HE TYR 23 0.892 -10.670 -1.201
210 HH TYR 23 HH TYR 23 2.149 -11.600 -4.018
211 H ARG 24 H ARG 24 4.880 -4.240 0.173
212 HA ARG 24 HA ARG 24 3.346 -3.410 2.447
213 HB2 ARG 24 2HB ARG 24 5.972 -2.210 1.598
214 HB3 ARG 24 1HB ARG 24 5.330 -2.410 3.228
215 HG2 ARG 24 2HG ARG 24 5.482 -4.880 2.957
216 HG3 ARG 24 1HG ARG 24 6.206 -4.640 1.367
217 HD2 ARG 24 2HD ARG 24 7.338 -3.940 4.072
218 HD3 ARG 24 1HD ARG 24 8.064 -4.910 2.800
219 HE ARG 24 HE ARG 24 7.830 -1.970 2.789
220 HH11 ARG 24 1HH2 ARG 24 9.077 -4.940 1.503
221 HH12 ARG 24 2HH2 ARG 24 10.219 -4.160 0.463
222 HH21 ARG 24 1HH1 ARG 24 9.320 -0.960 1.418
223 HH22 ARG 24 2HH1 ARG 24 10.354 -1.910 0.410
224 H LEU 25 H LEU 25 2.861 -2.370 -0.561
225 HA LEU 25 HA LEU 25 1.747 0.110 0.295
226 HB2 LEU 25 2HB LEU 25 3.175 1.680 -0.716
227 HB3 LEU 25 1HB LEU 25 4.246 0.590 0.148
228 HG LEU 25 HG LEU 25 3.938 -0.610 -2.358
229 HD11 LEU 25 1HD1 LEU 25 3.911 0.950 -4.013
230 HD12 LEU 25 2HD1 LEU 25 4.888 2.080 -3.086
231 HD13 LEU 25 3HD1 LEU 25 3.152 1.980 -2.806
232 HD21 LEU 25 31HD LEU 25 6.281 -0.170 -2.564
233 HD22 LEU 25 1HD2 LEU 25 5.957 -0.360 -0.843
234 HD23 LEU 25 2HD2 LEU 25 6.177 1.240 -1.531
235 H SER 26 H SER 26 0.967 -2.260 -1.254
236 HA SER 26 HA SER 26 -0.391 -0.850 -3.382
237 HB2 SER 26 2HB SER 26 2.046 -1.940 -4.097
238 HB3 SER 26 1HB SER 26 0.915 -3.220 -4.520
239 HG SER 26 HG SER 26 0.323 -2.030 -6.137
240 H PHE 27 H PHE 27 0.565 -4.190 -2.609
241 HA PHE 27 HA PHE 27 -2.259 -4.990 -2.797
242 HB2 PHE 27 2HB PHE 27 0.165 -6.780 -2.594
243 HB3 PHE 27 1HB PHE 27 -1.457 -7.210 -3.143
244 HD1 PHE 27 1HD PHE 27 -2.370 -5.510 -5.058
245 HD2 PHE 27 2HD PHE 27 1.745 -6.450 -4.281
246 HE1 PHE 27 1HE PHE 27 -1.783 -4.850 -7.373
247 HE2 PHE 27 2HE PHE 27 2.327 -5.790 -6.596
248 HZ PHE 27 HZ PHE 27 0.573 -4.990 -8.142
249 H CYS 28 H CYS 28 0.151 -4.270 -0.556
250 HA CYS 28 HA CYS 28 -1.497 -5.310 1.646
251 HB2 CYS 28 2HB CYS 28 1.006 -6.420 0.921
252 HB3 CYS 28 1HB CYS 28 1.295 -5.440 2.358
253 H ARG 29 H ARG 29 -1.390 -2.780 0.493
254 HA ARG 29 HA ARG 29 0.386 -1.010 1.797
255 HB2 ARG 29 2HB ARG 29 -1.724 0.570 1.127
256 HB3 ARG 29 1HB ARG 29 -0.430 0.120 0.025
257 HG2 ARG 29 2HG ARG 29 -2.674 -0.260 -0.960
258 HG3 ARG 29 1HG ARG 29 -1.764 -1.760 -0.804
259 HD2 ARG 29 2HD ARG 29 -4.265 -1.660 0.006
260 HD3 ARG 29 1HD ARG 29 -3.076 -2.530 0.970
261 HE ARG 29 HE ARG 29 -2.912 -0.150 2.124
262 HH11 ARG 29 1HH2 ARG 29 -5.688 -1.850 0.952
263 HH12 ARG 29 2HH2 ARG 29 -6.780 -1.130 2.084
264 HH21 ARG 29 1HH1 ARG 29 -4.335 0.790 3.607
265 HH22 ARG 29 2HH1 ARG 29 -6.013 0.360 3.593
266 H LYS 30 H LYS 30 -0.865 -2.770 3.693
267 HA LYS 30 HA LYS 30 -1.640 -0.820 5.652
268 HB2 LYS 30 2HB LYS 30 -3.904 -1.540 6.042
269 HB3 LYS 30 1HB LYS 30 -3.757 -1.110 4.340
270 HG2 LYS 30 2HG LYS 30 -3.266 -3.590 3.915
271 HG3 LYS 30 1HG LYS 30 -3.831 -3.870 5.563
272 HD2 LYS 30 2HD LYS 30 -5.997 -3.600 4.975
273 HD3 LYS 30 1HD LYS 30 -5.645 -2.150 4.032
274 HE2 LYS 30 2HE LYS 30 -6.527 -4.080 2.664
275 HE3 LYS 30 1HE LYS 30 -4.959 -3.470 2.130
276 HZ1 LYS 30 3HZ LYS 30 -5.412 -6.030 2.548
277 HZ2 LYS 30 1HZ LYS 30 -4.962 -5.600 4.126
278 HZ3 LYS 30 2HZ LYS 30 -3.893 -5.320 2.835
279 H THR 31 H THR 31 -1.942 -4.240 4.791
280 HA THR 31 HA THR 31 -1.883 -5.370 7.326
281 HB THR 31 HB THR 31 -0.260 -6.760 5.281
282 HG1 THR 31 1HG THR 31 -2.878 -6.940 4.663
283 HG21 THR 31 31HG THR 31 -2.726 -7.470 6.893
284 HG22 THR 31 1HG2 THR 31 -1.062 -7.850 7.331
285 HG23 THR 31 2HG2 THR 31 -1.792 -8.600 5.908
286 H CYS 32 H CYS 32 0.871 -4.670 5.183
287 HA CYS 32 HA CYS 32 2.894 -5.380 7.019
288 HB2 CYS 32 2HB CYS 32 2.869 -3.460 4.681
289 HB3 CYS 32 1HB CYS 32 4.326 -3.850 5.591
290 H GLY 33 H GLY 33 0.566 -3.170 7.431
291 HA2 GLY 33 2HA GLY 33 0.269 -1.390 8.848
292 HA3 GLY 33 1HA GLY 33 1.776 -1.870 9.623
293 H THR 34 H THR 34 1.491 -1.060 6.226
294 HA THR 34 HA THR 34 3.593 0.890 6.454
295 HB THR 34 HB THR 34 3.603 -0.350 4.444
296 HG1 THR 34 1HG THR 34 4.052 1.450 3.522
297 HG21 THR 34 31HG THR 34 1.111 0.420 3.230
298 HG22 THR 34 1HG2 THR 34 0.796 -0.350 4.773
299 HG23 THR 34 2HG2 THR 34 1.725 -1.190 3.536
300 H CYS 35 H CYS 35 0.126 1.060 5.600
301 HA CYS 35 HA CYS 35 0.104 3.890 5.347
302 HB2 CYS 35 2HB CYS 35 -1.776 1.730 5.089
303 HB3 CYS 35 1HB CYS 35 -2.493 3.040 6.025
304 HN1 NH2 36 H2 NH2 36 -0.800 2.960 9.227
305 HN2 NH2 36 H1 NH2 36 -0.722 1.730 8.066
Start of MODEL 15
1 HA PFX 0 HA PFX 0 -2.752 17.219 4.605
2 H1N PFX 0 H1N PFX 0 -1.485 19.522 3.248
3 H2N PFX 0 H2N PFX 0 -0.617 18.495 4.288
4 H3N PFX 0 H3N PFX 0 -1.940 19.384 4.876
5 H1B PFX 0 1HB PFX 0 -3.706 18.056 1.975
6 H2B PFX 0 2HB PFX 0 -3.757 19.374 3.147
7 HD1 PFX 0 HD1 PFX 0 -4.982 15.986 2.344
8 HD2 PFX 0 HD2 PFX 0 -5.182 19.259 5.113
9 HE1 PFX 0 HE1 PFX 0 -6.986 14.976 3.391
10 HE2 PFX 0 HE2 PFX 0 -7.189 18.253 6.159
11 HNH PFX 0 HNH PFX 0 -1.131 18.085 1.371
12 H11 PFX 0 1HNH PFX 0 -2.065 17.055 -0.493
13 H21 PFX 0 2HNH PFX 0 -2.934 15.964 0.583
14 H12 PFX 0 1H2 PFX 0 -0.693 14.821 1.015
15 H22 PFX 0 2H2 PFX 0 -0.060 15.761 -0.338
16 H14 PFX 0 1H4 PFX 0 0.481 13.726 -0.999
17 H24 PFX 0 2H4 PFX 0 -0.403 13.798 -2.525
18 H15 PFX 0 1H5 PFX 0 -0.876 11.796 -0.295
19 H25 PFX 0 2H5 PFX 0 -0.079 11.460 -1.833
20 H17 PFX 0 1H7 PFX 0 -3.576 10.531 -1.184
21 H27 PFX 0 2H7 PFX 0 -1.918 9.939 -1.066
22 H ARG 1 H ARG 1 -4.677 9.295 -2.472
23 HA ARG 1 HA ARG 1 -4.987 7.366 -3.699
24 HB2 ARG 1 2HB ARG 1 -3.882 9.430 -5.448
25 HB3 ARG 1 1HB ARG 1 -3.557 7.798 -6.034
26 HG2 ARG 1 2HG ARG 1 -6.308 8.568 -5.076
27 HG3 ARG 1 1HG ARG 1 -5.794 8.917 -6.728
28 HD2 ARG 1 2HD ARG 1 -5.792 6.187 -5.412
29 HD3 ARG 1 1HD ARG 1 -6.941 6.744 -6.623
30 HE ARG 1 HE ARG 1 -4.118 6.070 -7.087
31 HH11 ARG 1 1HH2 ARG 1 -7.179 7.210 -8.229
32 HH12 ARG 1 2HH2 ARG 1 -6.806 6.949 -9.901
33 HH21 ARG 1 1HH1 ARG 1 -3.623 5.729 -9.279
34 HH22 ARG 1 2HH1 ARG 1 -4.795 6.114 -10.490
35 H SER 2 H SER 2 -3.623 6.192 -2.134
36 HA SER 2 HA SER 2 -1.448 4.855 -3.515
37 HB2 SER 2 2HB SER 2 0.254 5.835 -2.445
38 HB3 SER 2 1HB SER 2 -0.888 6.937 -1.682
39 HG SER 2 HG SER 2 0.147 4.485 -0.757
40 H CYS 3 H CYS 3 -3.585 5.119 -0.793
41 HA CYS 3 HA CYS 3 -2.939 2.466 0.204
42 HB2 CYS 3 2HB CYS 3 -3.713 4.617 1.536
43 HB3 CYS 3 1HB CYS 3 -5.319 4.004 1.142
44 H ILE 4 H ILE 4 -3.521 1.161 -1.585
45 HA ILE 4 HA ILE 4 -6.348 0.488 -1.639
46 HB ILE 4 HB ILE 4 -5.226 0.777 -4.355
47 HG12 ILE 4 2HG1 ILE 4 -6.109 3.194 -2.743
48 HG13 ILE 4 1HG1 ILE 4 -4.445 2.863 -3.226
49 HG21 ILE 4 1HG2 ILE 4 -7.846 1.881 -3.444
50 HG22 ILE 4 2HG2 ILE 4 -7.636 0.131 -3.393
51 HG23 ILE 4 31HG ILE 4 -7.450 0.997 -4.918
52 HD11 ILE 4 3HD1 ILE 4 -5.788 2.610 -5.610
53 HD12 ILE 4 1HD1 ILE 4 -4.953 4.070 -5.082
54 HD13 ILE 4 2HD1 ILE 4 -6.689 3.903 -4.823
55 H ASP 5 H ASP 5 -6.736 -1.599 -2.241
56 HA ASP 5 HA ASP 5 -4.475 -3.234 -3.187
57 HB2 ASP 5 2HB ASP 5 -5.152 -5.005 -1.549
58 HB3 ASP 5 1HB ASP 5 -4.482 -3.559 -0.795
59 H THR 6 H THR 6 -5.232 -5.410 -3.943
60 HA THR 6 HA THR 6 -8.053 -5.627 -4.621
61 HB THR 6 HB THR 6 -6.935 -4.169 -6.398
62 HG1 THR 6 1HG THR 6 -8.618 -4.939 -7.359
63 HG21 THR 6 31HG THR 6 -5.868 -6.681 -7.586
64 HG22 THR 6 1HG2 THR 6 -4.924 -5.947 -6.290
65 HG23 THR 6 2HG2 THR 6 -5.286 -5.024 -7.749
66 H ILE 7 H ILE 7 -5.588 -7.057 -3.337
67 HA ILE 7 HA ILE 7 -6.177 -9.674 -4.571
68 HB ILE 7 HB ILE 7 -3.794 -10.302 -4.025
69 HG12 ILE 7 2HG1 ILE 7 -2.785 -7.596 -4.150
70 HG13 ILE 7 1HG1 ILE 7 -3.862 -7.767 -2.764
71 HG21 ILE 7 1HG2 ILE 7 -2.905 -9.279 -6.044
72 HG22 ILE 7 2HG2 ILE 7 -4.120 -8.004 -5.977
73 HG23 ILE 7 31HG ILE 7 -4.605 -9.666 -6.312
74 HD11 ILE 7 3HD1 ILE 7 -2.587 -9.895 -2.190
75 HD12 ILE 7 1HD1 ILE 7 -1.681 -8.394 -1.996
76 HD13 ILE 7 2HD1 ILE 7 -1.407 -9.414 -3.410
77 HA PRO 8 HA PRO 8 -7.597 -10.824 -0.515
78 HB2 PRO 8 2HB PRO 8 -6.228 -13.394 -1.204
79 HB3 PRO 8 1HB PRO 8 -7.868 -13.121 -0.587
80 HG2 PRO 8 2HG PRO 8 -7.364 -13.687 -3.165
81 HG3 PRO 8 1HG PRO 8 -8.716 -12.667 -2.650
82 HD2 PRO 8 2HD PRO 8 -6.237 -11.894 -4.054
83 HD3 PRO 8 1HD PRO 8 -7.779 -11.021 -3.926
84 H LYS 9 H LYS 9 -6.712 -10.790 1.518
85 HA LYS 9 HA LYS 9 -3.993 -10.112 1.861
86 HB2 LYS 9 2HB LYS 9 -6.137 -11.000 3.795
87 HB3 LYS 9 1HB LYS 9 -4.509 -10.573 4.321
88 HG2 LYS 9 2HG LYS 9 -5.417 -8.478 4.478
89 HG3 LYS 9 1HG LYS 9 -5.058 -8.432 2.751
90 HD2 LYS 9 2HD LYS 9 -7.362 -7.736 3.076
91 HD3 LYS 9 1HD LYS 9 -7.362 -9.324 2.310
92 HE2 LYS 9 2HE LYS 9 -8.221 -10.365 4.157
93 HE3 LYS 9 1HE LYS 9 -7.350 -9.317 5.276
94 HZ1 LYS 9 3HZ LYS 9 -9.267 -8.264 5.561
95 HZ2 LYS 9 1HZ LYS 9 -10.003 -9.070 4.262
96 HZ3 LYS 9 2HZ LYS 9 -9.100 -7.659 3.982
97 H SER 10 H SER 10 -5.457 -13.093 1.302
98 HA SER 10 HA SER 10 -3.861 -14.832 2.863
99 HB2 SER 10 2HB SER 10 -5.657 -15.080 0.524
100 HB3 SER 10 1HB SER 10 -4.439 -16.342 0.690
101 HG SER 10 HG SER 10 -6.205 -16.953 1.885
102 H ARG 11 H ARG 11 -3.289 -13.124 -0.118
103 HA ARG 11 HA ARG 11 -0.951 -14.704 -0.805
104 HB2 ARG 11 2HB ARG 11 -2.507 -12.505 -2.052
105 HB3 ARG 11 1HB ARG 11 -0.792 -12.582 -2.454
106 HG2 ARG 11 2HG ARG 11 -1.023 -14.910 -3.161
107 HG3 ARG 11 1HG ARG 11 -2.718 -14.916 -2.673
108 HD2 ARG 11 2HD ARG 11 -2.952 -12.892 -4.292
109 HD3 ARG 11 1HD ARG 11 -1.425 -13.454 -4.967
110 HE ARG 11 HE ARG 11 -2.896 -15.712 -4.988
111 HH11 ARG 11 1HH2 ARG 11 -3.573 -12.455 -5.951
112 HH12 ARG 11 2HH2 ARG 11 -4.677 -12.909 -7.207
113 HH21 ARG 11 1HH1 ARG 11 -4.342 -16.314 -6.634
114 HH22 ARG 11 2HH1 ARG 11 -5.110 -15.095 -7.595
115 H CYS 12 H CYS 12 -1.689 -11.930 1.087
116 HA CYS 12 HA CYS 12 0.986 -10.805 0.946
117 HB2 CYS 12 2HB CYS 12 -1.591 -9.914 1.829
118 HB3 CYS 12 1HB CYS 12 -0.446 -9.748 3.160
119 H THR 13 H THR 13 2.363 -12.398 1.711
120 HA THR 13 HA THR 13 1.958 -13.264 4.508
121 HB THR 13 HB THR 13 3.147 -15.235 4.020
122 HG1 THR 13 1HG THR 13 4.403 -13.617 2.299
123 HG21 THR 13 31HG THR 13 1.493 -14.426 1.618
124 HG22 THR 13 1HG2 THR 13 0.973 -15.373 3.011
125 HG23 THR 13 2HG2 THR 13 2.114 -16.059 1.855
126 H ALA 14 H ALA 14 4.072 -13.681 5.682
127 HA ALA 14 HA ALA 14 5.535 -11.271 5.872
128 HB1 ALA 14 1HB ALA 14 6.669 -12.268 7.625
129 HB2 ALA 14 2HB ALA 14 6.700 -13.850 6.846
130 HB3 ALA 14 3HB ALA 14 5.211 -13.258 7.582
131 H PHE 15 H PHE 15 5.601 -13.561 3.513
132 HA PHE 15 HA PHE 15 8.480 -13.322 2.963
133 HB2 PHE 15 2HB PHE 15 8.036 -15.517 2.508
134 HB3 PHE 15 1HB PHE 15 6.330 -15.212 2.185
135 HD1 PHE 15 2HD PHE 15 9.673 -14.283 0.734
136 HD2 PHE 15 1HD PHE 15 5.616 -15.479 -0.008
137 HE1 PHE 15 2HE PHE 15 10.125 -14.303 -1.705
138 HE2 PHE 15 1HE PHE 15 6.066 -15.498 -2.447
139 HZ PHE 15 HZ PHE 15 8.321 -14.911 -3.295
140 H GLN 16 H GLN 16 5.327 -12.786 1.412
141 HA GLN 16 HA GLN 16 6.438 -11.447 -0.870
142 HB2 GLN 16 2HB GLN 16 3.726 -12.041 0.188
143 HB3 GLN 16 1HB GLN 16 3.868 -10.657 -0.895
144 HG2 GLN 16 2HG GLN 16 5.144 -13.287 -1.608
145 HG3 GLN 16 1HG GLN 16 3.435 -13.007 -1.934
146 HE21 GLN 16 1HE2 GLN 16 6.714 -11.810 -2.689
147 HE22 GLN 16 2HE2 GLN 16 6.262 -10.993 -4.107
148 H CYS 17 H CYS 17 5.127 -10.478 2.240
149 HA CYS 17 HA CYS 17 5.263 -7.645 1.591
150 HB2 CYS 17 2HB CYS 17 3.648 -9.042 3.254
151 HB3 CYS 17 1HB CYS 17 4.880 -8.510 4.397
152 H LYS 18 H LYS 18 7.656 -9.557 1.789
153 HA LYS 18 HA LYS 18 9.289 -7.774 3.476
154 HB2 LYS 18 2HB LYS 18 8.890 -9.804 4.779
155 HB3 LYS 18 1HB LYS 18 9.434 -10.798 3.430
156 HG2 LYS 18 2HG LYS 18 11.541 -10.617 4.197
157 HG3 LYS 18 1HG LYS 18 11.473 -8.883 3.877
158 HD2 LYS 18 2HD LYS 18 10.343 -10.094 6.407
159 HD3 LYS 18 1HD LYS 18 12.024 -9.572 6.286
160 HE2 LYS 18 2HE LYS 18 9.531 -7.883 6.010
161 HE3 LYS 18 1HE LYS 18 10.841 -7.702 7.177
162 HZ1 LYS 18 3HZ LYS 18 11.582 -6.197 5.711
163 HZ2 LYS 18 1HZ LYS 18 10.689 -6.841 4.419
164 HZ3 LYS 18 2HZ LYS 18 12.167 -7.549 4.864
165 H HIS 19 H HIS 19 9.094 -10.090 0.825
166 HA HIS 19 HA HIS 19 11.756 -9.289 -0.125
167 HB2 HIS 19 2HB HIS 19 9.895 -11.407 -1.222
168 HB3 HIS 19 1HB HIS 19 11.585 -11.159 -1.660
169 HD1 HIS 19 1HD HIS 19 10.252 -11.027 1.880
170 HD2 HIS 19 2HD HIS 19 12.621 -13.497 -0.501
171 HE1 HIS 19 1HE HIS 19 11.243 -12.773 3.423
172 HE2 HIS 19 2HE HIS 19 12.702 -14.278 1.990
173 H SER 20 H SER 20 8.361 -8.965 -0.841
174 HA SER 20 HA SER 20 9.021 -7.524 -3.335
175 HB2 SER 20 2HB SER 20 7.219 -9.549 -2.991
176 HB3 SER 20 1HB SER 20 6.193 -8.134 -2.777
177 HG SER 20 HG SER 20 6.615 -7.503 -4.792
178 H NLE 21 H NLE 21 9.004 -5.381 -3.178
179 HA NLE 21 HA NLE 21 7.871 -4.027 -0.907
180 HB2 NLE 21 1HB NLE 21 8.466 -2.041 -2.677
181 HB3 NLE 21 2HB NLE 21 9.538 -3.327 -3.234
182 HG2 NLE 21 1HG NLE 21 10.767 -2.137 -1.563
183 HG3 NLE 21 2HG NLE 21 10.214 -3.620 -0.784
184 HD2 NLE 21 1HD NLE 21 9.309 -2.296 0.807
185 HD3 NLE 21 2HD NLE 21 8.112 -1.827 -0.398
186 HE1 NLE 21 3HE NLE 21 10.671 -0.412 0.357
187 HE2 NLE 21 1HE NLE 21 9.027 0.228 0.350
188 HE3 NLE 21 2HE NLE 21 9.858 -0.087 -1.173
189 H LYS 22 H LYS 22 6.890 -4.682 -4.193
190 HA LYS 22 HA LYS 22 4.897 -2.751 -4.477
191 HB2 LYS 22 2HB LYS 22 5.476 -3.820 -6.462
192 HB3 LYS 22 1HB LYS 22 5.518 -5.410 -5.711
193 HG2 LYS 22 2HG LYS 22 3.594 -5.129 -7.260
194 HG3 LYS 22 1HG LYS 22 3.081 -5.473 -5.613
195 HD2 LYS 22 2HD LYS 22 1.704 -3.673 -6.068
196 HD3 LYS 22 1HD LYS 22 3.103 -2.801 -5.463
197 HE2 LYS 22 2HE LYS 22 2.565 -3.398 -8.380
198 HE3 LYS 22 1HE LYS 22 2.304 -1.840 -7.595
199 HZ1 LYS 22 3HZ LYS 22 4.786 -3.124 -8.385
200 HZ2 LYS 22 1HZ LYS 22 4.817 -2.335 -6.884
201 HZ3 LYS 22 2HZ LYS 22 4.397 -1.474 -8.287
202 H TYR 23 H TYR 23 5.102 -4.781 -2.027
203 HA TYR 23 HA TYR 23 2.199 -5.327 -1.910
204 HB2 TYR 23 2HB TYR 23 4.584 -6.782 -0.853
205 HB3 TYR 23 1HB TYR 23 3.073 -6.871 0.051
206 HD1 TYR 23 1HD TYR 23 3.877 -6.764 -3.616
207 HD2 TYR 23 2HD TYR 23 1.973 -8.875 -0.397
208 HE1 TYR 23 1HE TYR 23 3.007 -8.434 -5.227
209 HE2 TYR 23 2HE TYR 23 1.100 -10.546 -2.010
210 HH TYR 23 HH TYR 23 2.259 -10.874 -5.117
211 H ARG 24 H ARG 24 4.927 -4.647 0.313
212 HA ARG 24 HA ARG 24 3.224 -3.636 2.365
213 HB2 ARG 24 2HB ARG 24 5.481 -2.719 3.248
214 HB3 ARG 24 1HB ARG 24 5.262 -4.466 3.148
215 HG2 ARG 24 2HG ARG 24 6.235 -3.451 0.623
216 HG3 ARG 24 1HG ARG 24 7.297 -2.933 1.933
217 HD2 ARG 24 2HD ARG 24 7.328 -5.317 2.748
218 HD3 ARG 24 1HD ARG 24 6.450 -5.769 1.289
219 HE ARG 24 HE ARG 24 8.909 -4.290 0.830
220 HH11 ARG 24 1HH2 ARG 24 7.359 -7.363 1.216
221 HH12 ARG 24 2HH2 ARG 24 8.571 -8.237 0.340
222 HH21 ARG 24 1HH1 ARG 24 10.493 -5.426 -0.314
223 HH22 ARG 24 2HH1 ARG 24 10.349 -7.137 -0.521
224 H LEU 25 H LEU 25 3.584 -2.283 -0.531
225 HA LEU 25 HA LEU 25 3.146 0.388 0.571
226 HB2 LEU 25 2HB LEU 25 4.981 1.409 -0.269
227 HB3 LEU 25 1HB LEU 25 5.664 -0.208 -0.235
228 HG LEU 25 HG LEU 25 4.505 -0.340 -2.657
229 HD11 LEU 25 1HD1 LEU 25 3.936 1.650 -3.567
230 HD12 LEU 25 2HD1 LEU 25 5.494 2.346 -3.129
231 HD13 LEU 25 3HD1 LEU 25 4.157 2.389 -1.983
232 HD21 LEU 25 31HD LEU 25 6.683 0.108 -3.582
233 HD22 LEU 25 1HD2 LEU 25 6.923 -0.632 -1.999
234 HD23 LEU 25 2HD2 LEU 25 7.123 1.107 -2.198
235 H SER 26 H SER 26 1.767 -1.863 -1.118
236 HA SER 26 HA SER 26 0.369 0.028 -2.828
237 HB2 SER 26 2HB SER 26 1.487 -2.484 -4.039
238 HB3 SER 26 1HB SER 26 0.707 -1.143 -4.854
239 HG SER 26 HG SER 26 2.949 -0.973 -5.060
240 H PHE 27 H PHE 27 0.677 -3.525 -2.575
241 HA PHE 27 HA PHE 27 -2.235 -3.745 -2.538
242 HB2 PHE 27 2HB PHE 27 -0.198 -5.975 -2.393
243 HB3 PHE 27 1HB PHE 27 -1.909 -6.120 -2.779
244 HD1 PHE 27 2HD PHE 27 -2.257 -3.788 -4.656
245 HD2 PHE 27 1HD PHE 27 0.876 -6.717 -4.342
246 HE1 PHE 27 2HE PHE 27 -1.729 -3.483 -7.052
247 HE2 PHE 27 1HE PHE 27 1.395 -6.413 -6.744
248 HZ PHE 27 HZ PHE 27 0.095 -4.794 -8.099
249 H CYS 28 H CYS 28 0.502 -4.349 -0.390
250 HA CYS 28 HA CYS 28 -1.285 -5.312 1.700
251 HB2 CYS 28 2HB CYS 28 1.423 -5.748 1.057
252 HB3 CYS 28 1HB CYS 28 1.421 -4.892 2.597
253 H ARG 29 H ARG 29 -2.220 -2.985 1.296
254 HA ARG 29 HA ARG 29 -0.860 -0.859 2.716
255 HB2 ARG 29 2HB ARG 29 -3.738 -0.818 1.845
256 HB3 ARG 29 1HB ARG 29 -2.610 0.527 1.980
257 HG2 ARG 29 2HG ARG 29 -2.286 -1.748 0.007
258 HG3 ARG 29 1HG ARG 29 -3.054 -0.213 -0.390
259 HD2 ARG 29 2HD ARG 29 -0.178 -0.806 0.172
260 HD3 ARG 29 1HD ARG 29 -0.886 0.249 -1.046
261 HE ARG 29 HE ARG 29 -1.076 1.069 1.768
262 HH11 ARG 29 1HH2 ARG 29 0.327 1.369 -1.381
263 HH12 ARG 29 2HH2 ARG 29 0.942 2.964 -1.105
264 HH21 ARG 29 1HH1 ARG 29 -0.274 3.164 2.134
265 HH22 ARG 29 2HH1 ARG 29 0.599 3.981 0.881
266 H LYS 30 H LYS 30 -2.015 -3.473 4.047
267 HA LYS 30 HA LYS 30 -3.021 -2.036 6.392
268 HB2 LYS 30 2HB LYS 30 -4.644 -4.368 6.143
269 HB3 LYS 30 1HB LYS 30 -5.150 -2.681 6.176
270 HG2 LYS 30 2HG LYS 30 -5.958 -3.649 4.121
271 HG3 LYS 30 1HG LYS 30 -4.635 -2.560 3.710
272 HD2 LYS 30 2HD LYS 30 -3.259 -4.264 3.050
273 HD3 LYS 30 1HD LYS 30 -3.856 -5.362 4.294
274 HE2 LYS 30 2HE LYS 30 -5.538 -6.167 2.963
275 HE3 LYS 30 1HE LYS 30 -5.791 -4.614 2.167
276 HZ1 LYS 30 3HZ LYS 30 -4.849 -6.119 0.599
277 HZ2 LYS 30 1HZ LYS 30 -3.595 -6.543 1.660
278 HZ3 LYS 30 2HZ LYS 30 -3.655 -4.978 1.001
279 H THR 31 H THR 31 -1.965 -5.083 4.948
280 HA THR 31 HA THR 31 -1.656 -6.524 7.367
281 HB THR 31 HB THR 31 0.268 -7.201 5.270
282 HG1 THR 31 1HG THR 31 -2.488 -6.904 4.709
283 HG21 THR 31 31HG THR 31 -2.135 -8.744 6.249
284 HG22 THR 31 1HG2 THR 31 -0.654 -8.617 7.198
285 HG23 THR 31 2HG2 THR 31 -0.620 -9.379 5.607
286 H CYS 32 H CYS 32 0.950 -5.264 5.285
287 HA CYS 32 HA CYS 32 2.938 -5.411 7.286
288 HB2 CYS 32 2HB CYS 32 2.695 -4.249 4.574
289 HB3 CYS 32 1HB CYS 32 3.919 -3.519 5.613
290 H GLY 33 H GLY 33 0.305 -3.742 7.661
291 HA2 GLY 33 2HA GLY 33 -0.326 -1.769 8.683
292 HA3 GLY 33 1HA GLY 33 1.133 -2.024 9.637
293 H THR 34 H THR 34 0.954 -1.416 6.160
294 HA THR 34 HA THR 34 2.727 0.893 6.519
295 HB THR 34 HB THR 34 3.237 -0.912 4.832
296 HG1 THR 34 1HG THR 34 3.658 1.552 4.726
297 HG21 THR 34 31HG THR 34 1.006 0.354 3.235
298 HG22 THR 34 1HG2 THR 34 0.770 -1.117 4.178
299 HG23 THR 34 2HG2 THR 34 1.929 -1.097 2.850
300 H CYS 35 H CYS 35 -0.487 0.435 6.575
301 HA CYS 35 HA CYS 35 -1.149 3.145 6.205
302 HB2 CYS 35 2HB CYS 35 -0.764 2.700 3.833
303 HB3 CYS 35 1HB CYS 35 -1.884 1.340 3.890
304 HN1 NH2 36 H2 NH2 36 -3.499 0.250 7.587
305 HN2 NH2 36 H1 NH2 36 -1.859 0.039 7.201
Start of MODEL 16
1 HA PFX 0 HA PFX 0 -6.342 14.770 5.096
2 H1N PFX 0 H1N PFX 0 -4.598 15.782 6.036
3 H2N PFX 0 H2N PFX 0 -4.602 16.745 4.637
4 H3N PFX 0 H3N PFX 0 -3.544 15.421 4.757
5 H1B PFX 0 1HB PFX 0 -6.769 16.307 3.359
6 H2B PFX 0 2HB PFX 0 -6.535 14.782 2.505
7 HD1 PFX 0 HD1 PFX 0 -5.339 18.157 2.969
8 HD2 PFX 0 HD2 PFX 0 -4.231 14.262 1.550
9 HE1 PFX 0 HE1 PFX 0 -3.456 19.154 1.705
10 HE2 PFX 0 HE2 PFX 0 -2.349 15.256 0.288
11 HNH PFX 0 HNH PFX 0 -3.134 14.132 4.781
12 H11 PFX 0 1HNH PFX 0 -3.653 11.318 4.855
13 H21 PFX 0 2HNH PFX 0 -2.068 12.086 4.910
14 H12 PFX 0 1H2 PFX 0 -2.337 12.495 2.400
15 H22 PFX 0 2H2 PFX 0 -3.715 11.397 2.469
16 H14 PFX 0 1H4 PFX 0 -3.272 9.256 3.759
17 H24 PFX 0 2H4 PFX 0 -1.909 8.438 2.993
18 H15 PFX 0 1H5 PFX 0 -3.346 8.093 1.265
19 H25 PFX 0 2H5 PFX 0 -3.030 9.783 0.870
20 H17 PFX 0 1H7 PFX 0 -4.957 10.574 0.146
21 H27 PFX 0 2H7 PFX 0 -6.500 10.169 0.899
22 H ARG 1 H ARG 1 -5.788 9.736 -1.866
23 HA ARG 1 HA ARG 1 -6.539 7.022 -2.226
24 HB2 ARG 1 2HB ARG 1 -5.863 9.321 -3.930
25 HB3 ARG 1 1HB ARG 1 -5.450 7.757 -4.635
26 HG2 ARG 1 2HG ARG 1 -7.747 8.352 -5.238
27 HG3 ARG 1 1HG ARG 1 -7.758 6.961 -4.152
28 HD2 ARG 1 2HD ARG 1 -9.433 8.806 -3.606
29 HD3 ARG 1 1HD ARG 1 -8.387 8.301 -2.282
30 HE ARG 1 HE ARG 1 -7.136 10.440 -3.605
31 HH11 ARG 1 1HH2 ARG 1 -9.957 9.731 -1.732
32 HH12 ARG 1 2HH2 ARG 1 -10.087 11.327 -1.069
33 HH21 ARG 1 1HH1 ARG 1 -7.299 12.537 -2.736
34 HH22 ARG 1 2HH1 ARG 1 -8.583 12.913 -1.636
35 H SER 2 H SER 2 -4.834 6.187 -4.311
36 HA SER 2 HA SER 2 -2.884 5.037 -4.691
37 HB2 SER 2 2HB SER 2 -1.968 7.392 -3.949
38 HB3 SER 2 1HB SER 2 -1.498 6.522 -2.492
39 HG SER 2 HG SER 2 0.182 6.285 -3.870
40 H CYS 3 H CYS 3 -4.411 5.192 -1.690
41 HA CYS 3 HA CYS 3 -2.919 2.855 -0.690
42 HB2 CYS 3 2HB CYS 3 -4.239 5.145 0.620
43 HB3 CYS 3 1HB CYS 3 -4.459 3.579 1.400
44 H ILE 4 H ILE 4 -3.967 1.199 -1.790
45 HA ILE 4 HA ILE 4 -6.447 0.307 -0.710
46 HB ILE 4 HB ILE 4 -7.591 0.262 -3.030
47 HG12 ILE 4 2HG1 ILE 4 -5.852 2.696 -3.470
48 HG13 ILE 4 1HG1 ILE 4 -5.426 1.115 -4.130
49 HG21 ILE 4 1HG2 ILE 4 -7.444 3.075 -2.050
50 HG22 ILE 4 2HG2 ILE 4 -7.957 1.845 -0.900
51 HG23 ILE 4 31HG ILE 4 -8.855 2.075 -2.000
52 HD11 ILE 4 3HD1 ILE 4 -8.070 2.518 -4.610
53 HD12 ILE 4 1HD1 ILE 4 -7.534 1.009 -5.350
54 HD13 ILE 4 2HD1 ILE 4 -6.718 2.522 -5.750
55 H ASP 5 H ASP 5 -6.720 -1.859 -1.050
56 HA ASP 5 HA ASP 5 -4.553 -3.199 -2.500
57 HB2 ASP 5 2HB ASP 5 -5.392 -5.236 -1.340
58 HB3 ASP 5 1HB ASP 5 -4.903 -3.950 -0.240
59 H THR 6 H THR 6 -5.127 -5.205 -3.710
60 HA THR 6 HA THR 6 -7.790 -5.140 -4.940
61 HB THR 6 HB THR 6 -6.911 -4.041 -6.720
62 HG1 THR 6 1HG THR 6 -7.034 -6.378 -7.270
63 HG21 THR 6 31HG THR 6 -4.303 -4.854 -5.490
64 HG22 THR 6 1HG2 THR 6 -4.903 -3.241 -5.870
65 HG23 THR 6 2HG2 THR 6 -4.319 -4.292 -7.160
66 H ILE 7 H ILE 7 -5.665 -6.869 -3.300
67 HA ILE 7 HA ILE 7 -6.492 -9.387 -4.580
68 HB ILE 7 HB ILE 7 -4.144 -10.253 -3.930
69 HG12 ILE 7 2HG1 ILE 7 -3.076 -7.564 -4.470
70 HG13 ILE 7 1HG1 ILE 7 -3.896 -7.704 -2.910
71 HG21 ILE 7 1HG2 ILE 7 -4.975 -9.912 -6.260
72 HG22 ILE 7 2HG2 ILE 7 -3.253 -9.566 -6.110
73 HG23 ILE 7 31HG ILE 7 -4.415 -8.241 -6.190
74 HD11 ILE 7 3HD1 ILE 7 -2.408 -9.305 -2.110
75 HD12 ILE 7 1HD1 ILE 7 -1.337 -8.326 -3.120
76 HD13 ILE 7 2HD1 ILE 7 -1.973 -9.851 -3.730
77 HA PRO 8 HA PRO 8 -7.546 -10.574 -0.490
78 HB2 PRO 8 2HB PRO 8 -7.109 -13.289 -0.630
79 HB3 PRO 8 1HB PRO 8 -8.519 -12.474 -1.330
80 HG2 PRO 8 2HG PRO 8 -6.038 -13.441 -2.650
81 HG3 PRO 8 1HG PRO 8 -7.710 -13.450 -3.240
82 HD2 PRO 8 2HD PRO 8 -5.854 -11.615 -4.070
83 HD3 PRO 8 1HD PRO 8 -7.596 -11.271 -4.000
84 H LYS 9 H LYS 9 -6.593 -10.821 1.480
85 HA LYS 9 HA LYS 9 -3.791 -10.592 1.710
86 HB2 LYS 9 2HB LYS 9 -4.374 -11.240 4.199
87 HB3 LYS 9 1HB LYS 9 -4.865 -9.681 3.530
88 HG2 LYS 9 2HG LYS 9 -6.688 -10.908 4.780
89 HG3 LYS 9 1HG LYS 9 -7.103 -10.479 3.120
90 HD2 LYS 9 2HD LYS 9 -6.726 -12.712 2.350
91 HD3 LYS 9 1HD LYS 9 -5.937 -13.171 3.860
92 HE2 LYS 9 2HE LYS 9 -8.020 -14.029 4.310
93 HE3 LYS 9 1HE LYS 9 -8.313 -12.376 4.850
94 HZ1 LYS 9 3HZ LYS 9 -9.937 -12.326 3.360
95 HZ2 LYS 9 1HZ LYS 9 -9.445 -13.786 2.650
96 HZ3 LYS 9 2HZ LYS 9 -8.744 -12.322 2.150
97 H SER 10 H SER 10 -5.379 -13.193 0.670
98 HA SER 10 HA SER 10 -4.221 -15.295 2.240
99 HB2 SER 10 2HB SER 10 -5.003 -15.787 -0.570
100 HB3 SER 10 1HB SER 10 -5.358 -16.729 0.860
101 HG SER 10 HG SER 10 -6.467 -14.289 1.040
102 H ARG 11 H ARG 11 -3.210 -13.344 -0.430
103 HA ARG 11 HA ARG 11 -0.956 -15.098 -1.060
104 HB2 ARG 11 2HB ARG 11 -1.951 -12.502 -2.250
105 HB3 ARG 11 1HB ARG 11 -0.472 -13.306 -2.780
106 HG2 ARG 11 2HG ARG 11 -2.148 -15.404 -2.900
107 HG3 ARG 11 1HG ARG 11 -3.314 -14.108 -3.180
108 HD2 ARG 11 2HD ARG 11 -0.919 -14.870 -4.830
109 HD3 ARG 11 1HD ARG 11 -2.577 -14.586 -5.350
110 HE ARG 11 HE ARG 11 -1.982 -12.147 -4.570
111 HH11 ARG 11 1HH2 ARG 11 0.031 -14.466 -6.170
112 HH12 ARG 11 2HH2 ARG 11 1.002 -13.277 -6.970
113 HH21 ARG 11 1HH1 ARG 11 -0.716 -10.583 -5.620
114 HH22 ARG 11 2HH1 ARG 11 0.576 -11.077 -6.660
115 H CYS 12 H CYS 12 -1.704 -12.537 1.000
116 HA CYS 12 HA CYS 12 0.923 -11.321 1.050
117 HB2 CYS 12 2HB CYS 12 -1.483 -10.354 1.700
118 HB3 CYS 12 1HB CYS 12 -0.999 -10.939 3.290
119 H THR 13 H THR 13 2.435 -12.843 1.620
120 HA THR 13 HA THR 13 2.040 -14.256 4.180
121 HB THR 13 HB THR 13 3.419 -15.939 3.410
122 HG1 THR 13 1HG THR 13 4.564 -14.604 1.300
123 HG21 THR 13 31HG THR 13 2.354 -14.690 0.860
124 HG22 THR 13 1HG2 THR 13 1.470 -15.793 1.910
125 HG23 THR 13 2HG2 THR 13 2.888 -16.361 1.030
126 H ALA 14 H ALA 14 3.905 -14.419 5.620
127 HA ALA 14 HA ALA 14 5.042 -11.893 6.200
128 HB1 ALA 14 1HB ALA 14 4.686 -14.160 7.630
129 HB2 ALA 14 2HB ALA 14 5.793 -12.874 8.110
130 HB3 ALA 14 3HB ALA 14 6.406 -14.295 7.260
131 H PHE 15 H PHE 15 5.669 -13.532 3.570
132 HA PHE 15 HA PHE 15 8.566 -12.940 3.620
133 HB2 PHE 15 2HB PHE 15 8.775 -15.169 3.250
134 HB3 PHE 15 1HB PHE 15 7.096 -15.344 2.750
135 HD1 PHE 15 1HD PHE 15 6.474 -14.335 0.420
136 HD2 PHE 15 2HD PHE 15 10.486 -15.250 1.650
137 HE1 PHE 15 1HE PHE 15 7.187 -14.383 -1.940
138 HE2 PHE 15 2HE PHE 15 11.200 -15.300 -0.720
139 HZ PHE 15 HZ PHE 15 9.551 -14.868 -2.520
140 H GLN 16 H GLN 16 5.513 -12.712 1.950
141 HA GLN 16 HA GLN 16 6.525 -11.712 -0.510
142 HB2 GLN 16 2HB GLN 16 3.879 -12.028 0.760
143 HB3 GLN 16 1HB GLN 16 4.001 -10.736 -0.420
144 HG2 GLN 16 2HG GLN 16 5.129 -13.442 -1.060
145 HG3 GLN 16 1HG GLN 16 3.393 -13.174 -1.200
146 HE21 GLN 16 1HE2 GLN 16 6.553 -12.107 -2.460
147 HE22 GLN 16 2HE2 GLN 16 5.929 -11.377 -3.860
148 H CYS 17 H CYS 17 5.324 -10.210 2.450
149 HA CYS 17 HA CYS 17 5.684 -7.523 1.440
150 HB2 CYS 17 2HB CYS 17 4.037 -8.526 3.310
151 HB3 CYS 17 1HB CYS 17 5.370 -8.016 4.350
152 H LYS 18 H LYS 18 7.862 -9.751 2.110
153 HA LYS 18 HA LYS 18 9.695 -7.909 3.520
154 HB2 LYS 18 2HB LYS 18 9.022 -10.553 4.150
155 HB3 LYS 18 1HB LYS 18 10.605 -10.664 3.380
156 HG2 LYS 18 2HG LYS 18 11.211 -10.264 5.590
157 HG3 LYS 18 1HG LYS 18 11.188 -8.625 4.950
158 HD2 LYS 18 2HD LYS 18 9.116 -8.127 5.950
159 HD3 LYS 18 1HD LYS 18 8.712 -9.829 6.170
160 HE2 LYS 18 2HE LYS 18 11.176 -8.836 7.520
161 HE3 LYS 18 1HE LYS 18 9.630 -8.312 8.190
162 HZ1 LYS 18 3HZ LYS 18 8.944 -10.587 8.390
163 HZ2 LYS 18 1HZ LYS 18 10.443 -10.400 9.160
164 HZ3 LYS 18 2HZ LYS 18 10.361 -11.137 7.640
165 H HIS 19 H HIS 19 9.153 -9.914 0.730
166 HA HIS 19 HA HIS 19 11.821 -9.210 -0.310
167 HB2 HIS 19 2HB HIS 19 9.918 -11.296 -1.390
168 HB3 HIS 19 1HB HIS 19 11.620 -11.081 -1.800
169 HD1 HIS 19 1HD HIS 19 10.199 -11.002 1.700
170 HD2 HIS 19 2HD HIS 19 12.613 -13.441 -0.660
171 HE1 HIS 19 1HE HIS 19 11.131 -12.790 3.230
172 HE2 HIS 19 2HE HIS 19 12.606 -14.285 1.810
173 H SER 20 H SER 20 8.373 -8.969 -0.860
174 HA SER 20 HA SER 20 8.855 -7.516 -3.380
175 HB2 SER 20 2HB SER 20 6.136 -8.321 -2.400
176 HB3 SER 20 1HB SER 20 6.698 -8.082 -4.050
177 HG SER 20 HG SER 20 8.011 -9.955 -3.760
178 H NLE 21 H NLE 21 8.954 -5.374 -3.190
179 HA NLE 21 HA NLE 21 8.030 -3.952 -0.900
180 HB2 NLE 21 1HB NLE 21 8.349 -2.307 -3.280
181 HB3 NLE 21 2HB NLE 21 9.705 -3.413 -3.070
182 HG2 NLE 21 1HG NLE 21 8.711 -1.910 -0.670
183 HG3 NLE 21 2HG NLE 21 9.684 -1.047 -1.860
184 HD2 NLE 21 1HD NLE 21 10.695 -3.719 -1.050
185 HD3 NLE 21 2HD NLE 21 10.757 -2.464 0.180
186 HE1 NLE 21 3HE NLE 21 11.697 -1.767 -2.570
187 HE2 NLE 21 1HE NLE 21 12.743 -2.777 -1.570
188 HE3 NLE 21 2HE NLE 21 12.265 -1.175 -1.010
189 H LYS 22 H LYS 22 6.807 -4.426 -4.170
190 HA LYS 22 HA LYS 22 4.678 -2.691 -4.290
191 HB2 LYS 22 2HB LYS 22 3.591 -4.846 -5.480
192 HB3 LYS 22 1HB LYS 22 4.837 -3.855 -6.240
193 HG2 LYS 22 2HG LYS 22 6.525 -5.398 -5.830
194 HG3 LYS 22 1HG LYS 22 5.696 -6.084 -4.430
195 HD2 LYS 22 2HD LYS 22 5.358 -7.776 -5.970
196 HD3 LYS 22 1HD LYS 22 3.921 -6.808 -6.270
197 HE2 LYS 22 2HE LYS 22 4.731 -7.062 -8.440
198 HE3 LYS 22 1HE LYS 22 5.508 -5.548 -7.970
199 HZ1 LYS 22 3HZ LYS 22 6.812 -8.155 -7.490
200 HZ2 LYS 22 1HZ LYS 22 7.519 -6.615 -7.570
201 HZ3 LYS 22 2HZ LYS 22 6.957 -7.359 -8.990
202 H TYR 23 H TYR 23 5.149 -4.936 -1.880
203 HA TYR 23 HA TYR 23 2.265 -5.298 -1.410
204 HB2 TYR 23 2HB TYR 23 4.711 -6.801 -0.630
205 HB3 TYR 23 1HB TYR 23 3.384 -6.779 0.520
206 HD1 TYR 23 2HD TYR 23 3.507 -6.843 -3.220
207 HD2 TYR 23 1HD TYR 23 2.151 -8.757 0.370
208 HE1 TYR 23 2HE TYR 23 2.294 -8.529 -4.570
209 HE2 TYR 23 1HE TYR 23 0.937 -10.442 -0.980
210 HH TYR 23 HH TYR 23 0.415 -11.132 -3.010
211 H ARG 24 H ARG 24 5.196 -3.898 -0.080
212 HA ARG 24 HA ARG 24 3.933 -3.097 2.400
213 HB2 ARG 24 2HB ARG 24 6.618 -2.399 1.190
214 HB3 ARG 24 1HB ARG 24 6.088 -1.938 2.810
215 HG2 ARG 24 2HG ARG 24 6.074 -4.165 3.570
216 HG3 ARG 24 1HG ARG 24 6.034 -4.822 1.940
217 HD2 ARG 24 2HD ARG 24 8.378 -3.180 2.240
218 HD3 ARG 24 1HD ARG 24 8.314 -4.348 3.560
219 HE ARG 24 HE ARG 24 7.765 -5.842 1.330
220 HH11 ARG 24 1HH2 ARG 24 10.256 -3.631 2.270
221 HH12 ARG 24 2HH2 ARG 24 11.484 -4.397 1.320
222 HH21 ARG 24 1HH1 ARG 24 9.371 -6.853 0.090
223 HH22 ARG 24 2HH1 ARG 24 10.984 -6.225 0.090
224 H LEU 25 H LEU 25 3.277 -2.029 -0.550
225 HA LEU 25 HA LEU 25 2.319 0.484 0.320
226 HB2 LEU 25 2HB LEU 25 3.793 2.011 -0.790
227 HB3 LEU 25 1HB LEU 25 4.756 0.997 0.270
228 HG LEU 25 HG LEU 25 4.527 -0.300 -2.280
229 HD11 LEU 25 1HD1 LEU 25 5.286 2.620 -2.290
230 HD12 LEU 25 2HD1 LEU 25 4.214 1.761 -3.400
231 HD13 LEU 25 3HD1 LEU 25 5.957 1.501 -3.470
232 HD21 LEU 25 31HD LEU 25 6.966 1.041 -1.100
233 HD22 LEU 25 1HD2 LEU 25 6.899 -0.414 -2.090
234 HD23 LEU 25 2HD2 LEU 25 6.309 -0.454 -0.430
235 H SER 26 H SER 26 1.175 -1.630 -1.130
236 HA SER 26 HA SER 26 0.155 -0.137 -3.380
237 HB2 SER 26 2HB SER 26 2.326 -1.900 -3.860
238 HB3 SER 26 1HB SER 26 0.884 -2.671 -4.510
239 HG SER 26 HG SER 26 2.184 -0.359 -5.280
240 H PHE 27 H PHE 27 0.480 -3.559 -2.520
241 HA PHE 27 HA PHE 27 -2.454 -3.810 -2.630
242 HB2 PHE 27 2HB PHE 27 -0.511 -6.097 -2.420
243 HB3 PHE 27 1HB PHE 27 -2.140 -6.086 -3.110
244 HD1 PHE 27 1HD PHE 27 -2.187 -3.746 -4.810
245 HD2 PHE 27 2HD PHE 27 0.992 -6.559 -4.170
246 HE1 PHE 27 1HE PHE 27 -1.253 -3.196 -7.040
247 HE2 PHE 27 2HE PHE 27 1.921 -6.009 -6.400
248 HZ PHE 27 HZ PHE 27 0.805 -4.328 -7.830
249 H CYS 28 H CYS 28 0.214 -5.180 -0.700
250 HA CYS 28 HA CYS 28 -1.553 -5.540 1.570
251 HB2 CYS 28 2HB CYS 28 1.379 -6.089 1.110
252 HB3 CYS 28 1HB CYS 28 0.609 -6.311 2.680
253 H ARG 29 H ARG 29 -1.568 -2.930 0.870
254 HA ARG 29 HA ARG 29 0.397 -1.416 2.300
255 HB2 ARG 29 2HB ARG 29 -1.368 0.433 1.800
256 HB3 ARG 29 1HB ARG 29 -0.465 -0.291 0.470
257 HG2 ARG 29 2HG ARG 29 -2.270 -1.506 -0.280
258 HG3 ARG 29 1HG ARG 29 -2.997 -1.630 1.310
259 HD2 ARG 29 2HD ARG 29 -2.981 0.732 -0.530
260 HD3 ARG 29 1HD ARG 29 -4.378 -0.139 0.080
261 HE ARG 29 HE ARG 29 -2.779 1.843 1.520
262 HH11 ARG 29 1HH2 ARG 29 -5.270 -0.559 1.510
263 HH12 ARG 29 2HH2 ARG 29 -5.960 -0.051 3.010
264 HH21 ARG 29 1HH1 ARG 29 -3.672 2.507 3.500
265 HH22 ARG 29 2HH1 ARG 29 -5.054 1.682 4.140
266 H LYS 30 H LYS 30 -1.738 -3.366 3.610
267 HA LYS 30 HA LYS 30 -2.318 -1.552 5.870
268 HB2 LYS 30 2HB LYS 30 -4.239 -3.755 5.190
269 HB3 LYS 30 1HB LYS 30 -4.517 -2.284 6.110
270 HG2 LYS 30 2HG LYS 30 -5.108 -1.127 4.270
271 HG3 LYS 30 1HG LYS 30 -3.736 -1.726 3.350
272 HD2 LYS 30 2HD LYS 30 -6.322 -3.222 3.850
273 HD3 LYS 30 1HD LYS 30 -5.830 -2.491 2.320
274 HE2 LYS 30 2HE LYS 30 -4.975 -4.546 1.860
275 HE3 LYS 30 1HE LYS 30 -3.651 -4.054 2.920
276 HZ1 LYS 30 3HZ LYS 30 -5.532 -6.109 3.300
277 HZ2 LYS 30 1HZ LYS 30 -5.729 -4.959 4.530
278 HZ3 LYS 30 2HZ LYS 30 -4.211 -5.682 4.280
279 H THR 31 H THR 31 -1.838 -4.827 4.690
280 HA THR 31 HA THR 31 -1.804 -6.144 7.200
281 HB THR 31 HB THR 31 0.023 -7.265 5.200
282 HG1 THR 31 1HG THR 31 -1.215 -7.135 3.520
283 HG21 THR 31 31HG THR 31 -1.210 -9.238 5.650
284 HG22 THR 31 1HG2 THR 31 -2.633 -8.328 6.160
285 HG23 THR 31 2HG2 THR 31 -1.198 -8.366 7.180
286 H CYS 32 H CYS 32 0.731 -4.749 5.160
287 HA CYS 32 HA CYS 32 2.823 -5.258 7.070
288 HB2 CYS 32 2HB CYS 32 2.602 -4.210 4.370
289 HB3 CYS 32 1HB CYS 32 3.655 -3.197 5.360
290 H GLY 33 H GLY 33 0.233 -3.522 7.430
291 HA2 GLY 33 2HA GLY 33 -0.385 -1.571 8.500
292 HA3 GLY 33 1HA GLY 33 0.977 -1.958 9.550
293 H THR 34 H THR 34 1.003 -1.073 6.100
294 HA THR 34 HA THR 34 2.931 1.052 6.780
295 HB THR 34 HB THR 34 3.589 -0.465 4.990
296 HG1 THR 34 1HG THR 34 4.134 1.751 4.790
297 HG21 THR 34 31HG THR 34 0.881 0.278 3.940
298 HG22 THR 34 1HG2 THR 34 1.625 -1.315 4.090
299 HG23 THR 34 2HG2 THR 34 2.157 -0.206 2.820
300 H CYS 35 H CYS 35 -0.315 0.637 5.520
301 HA CYS 35 HA CYS 35 -0.584 3.586 5.450
302 HB2 CYS 35 2HB CYS 35 -0.639 2.443 3.180
303 HB3 CYS 35 1HB CYS 35 -2.148 1.700 3.690
304 HN1 NH2 36 H2 NH2 36 -2.810 1.857 8.000
305 HN2 NH2 36 H1 NH2 36 -1.150 1.709 7.670
Start of MODEL 17
1 HA PFX 0 HA PFX 0 -13.266 -0.337 -9.408
2 H1N PFX 0 H1N PFX 0 -12.726 -2.311 -10.723
3 H2N PFX 0 H2N PFX 0 -13.302 -2.719 -9.178
4 H3N PFX 0 H3N PFX 0 -11.641 -2.820 -9.523
5 H1B PFX 0 1HB PFX 0 -11.472 0.084 -7.551
6 H2B PFX 0 2HB PFX 0 -11.291 -1.670 -7.570
7 HD1 PFX 0 HD1 PFX 0 -13.111 1.027 -6.189
8 HD2 PFX 0 HD2 PFX 0 -13.569 -3.028 -7.516
9 HE1 PFX 0 HE1 PFX 0 -15.158 0.810 -4.812
10 HE2 PFX 0 HE2 PFX 0 -15.617 -3.248 -6.140
11 HNH PFX 0 HNH PFX 0 -10.580 0.989 -8.650
12 H11 PFX 0 1HNH PFX 0 -11.006 2.096 -11.295
13 H21 PFX 0 2HNH PFX 0 -9.327 1.708 -10.929
14 H12 PFX 0 1H2 PFX 0 -10.988 3.925 -9.958
15 H22 PFX 0 2H2 PFX 0 -9.231 3.777 -10.013
16 H14 PFX 0 1H4 PFX 0 -11.299 4.432 -7.323
17 H24 PFX 0 2H4 PFX 0 -9.832 5.060 -8.076
18 H15 PFX 0 1H5 PFX 0 -10.040 3.390 -5.557
19 H25 PFX 0 2H5 PFX 0 -9.439 5.041 -5.705
20 H17 PFX 0 1H7 PFX 0 -7.004 2.335 -5.228
21 H27 PFX 0 2H7 PFX 0 -8.102 3.408 -4.362
22 H ARG 1 H ARG 1 -7.706 5.759 -4.751
23 HA ARG 1 HA ARG 1 -4.900 6.398 -4.356
24 HB2 ARG 1 2HB ARG 1 -7.475 7.851 -4.252
25 HB3 ARG 1 1HB ARG 1 -6.230 8.421 -3.140
26 HG2 ARG 1 2HG ARG 1 -4.665 8.751 -4.942
27 HG3 ARG 1 1HG ARG 1 -5.740 7.954 -6.091
28 HD2 ARG 1 2HD ARG 1 -6.371 10.097 -6.564
29 HD3 ARG 1 1HD ARG 1 -7.403 9.872 -5.158
30 HE ARG 1 HE ARG 1 -5.726 11.050 -3.837
31 HH11 ARG 1 1HH2 ARG 1 -5.365 11.140 -7.291
32 HH12 ARG 1 2HH2 ARG 1 -4.386 12.566 -7.280
33 HH21 ARG 1 1HH1 ARG 1 -4.441 12.915 -3.836
34 HH22 ARG 1 2HH1 ARG 1 -3.863 13.567 -5.332
35 H SER 2 H SER 2 -7.661 5.378 -2.460
36 HA SER 2 HA SER 2 -6.739 6.002 0.114
37 HB2 SER 2 2HB SER 2 -8.245 3.467 -0.373
38 HB3 SER 2 1HB SER 2 -8.457 4.665 0.898
39 HG SER 2 HG SER 2 -9.020 5.063 -1.859
40 H CYS 3 H CYS 3 -6.662 3.621 1.524
41 HA CYS 3 HA CYS 3 -4.070 2.515 0.638
42 HB2 CYS 3 2HB CYS 3 -5.263 2.900 3.385
43 HB3 CYS 3 1HB CYS 3 -3.842 1.895 3.094
44 H ILE 4 H ILE 4 -5.640 1.180 -0.745
45 HA ILE 4 HA ILE 4 -5.901 -1.422 0.509
46 HB ILE 4 HB ILE 4 -8.374 -1.228 -0.735
47 HG12 ILE 4 2HG1 ILE 4 -8.019 1.200 1.039
48 HG13 ILE 4 1HG1 ILE 4 -7.948 1.289 -0.720
49 HG21 ILE 4 1HG2 ILE 4 -7.716 -2.372 1.414
50 HG22 ILE 4 2HG2 ILE 4 -9.250 -1.505 1.504
51 HG23 ILE 4 31HG ILE 4 -7.795 -0.800 2.210
52 HD11 ILE 4 3HD1 ILE 4 -10.200 0.642 -0.966
53 HD12 ILE 4 1HD1 ILE 4 -10.235 1.727 0.425
54 HD13 ILE 4 2HD1 ILE 4 -10.281 -0.020 0.666
55 H ASP 5 H ASP 5 -6.045 -3.118 -1.039
56 HA ASP 5 HA ASP 5 -5.836 -2.262 -3.850
57 HB2 ASP 5 2HB ASP 5 -3.625 -2.813 -2.555
58 HB3 ASP 5 1HB ASP 5 -4.106 -4.476 -2.892
59 H THR 6 H THR 6 -5.567 -4.389 -5.213
60 HA THR 6 HA THR 6 -8.040 -5.881 -4.838
61 HB THR 6 HB THR 6 -7.606 -6.668 -7.093
62 HG1 THR 6 1HG THR 6 -5.090 -6.187 -6.368
63 HG21 THR 6 31HG THR 6 -6.654 -3.954 -7.570
64 HG22 THR 6 1HG2 THR 6 -7.952 -4.000 -6.380
65 HG23 THR 6 2HG2 THR 6 -8.207 -4.679 -7.988
66 H ILE 7 H ILE 7 -5.591 -6.222 -3.138
67 HA ILE 7 HA ILE 7 -4.826 -8.976 -3.809
68 HB ILE 7 HB ILE 7 -3.105 -7.234 -3.417
69 HG12 ILE 7 2HG1 ILE 7 -3.192 -9.526 -1.432
70 HG13 ILE 7 1HG1 ILE 7 -2.560 -9.599 -3.075
71 HG21 ILE 7 1HG2 ILE 7 -3.872 -7.422 -0.505
72 HG22 ILE 7 2HG2 ILE 7 -4.571 -6.186 -1.552
73 HG23 ILE 7 31HG ILE 7 -2.830 -6.238 -1.288
74 HD11 ILE 7 3HD1 ILE 7 -0.901 -9.240 -1.079
75 HD12 ILE 7 1HD1 ILE 7 -1.455 -7.569 -1.155
76 HD13 ILE 7 2HD1 ILE 7 -0.688 -8.310 -2.559
77 HA PRO 8 HA PRO 8 -7.439 -10.227 -0.363
78 HB2 PRO 8 2HB PRO 8 -7.197 -12.907 -0.720
79 HB3 PRO 8 1HB PRO 8 -8.214 -11.902 -1.770
80 HG2 PRO 8 2HG PRO 8 -5.517 -13.035 -2.267
81 HG3 PRO 8 1HG PRO 8 -6.871 -12.805 -3.385
82 HD2 PRO 8 2HD PRO 8 -4.662 -11.119 -3.210
83 HD3 PRO 8 1HD PRO 8 -6.232 -10.664 -3.905
84 H LYS 9 H LYS 9 -6.927 -10.644 1.758
85 HA LYS 9 HA LYS 9 -4.403 -10.503 2.773
86 HB2 LYS 9 2HB LYS 9 -5.311 -11.675 4.806
87 HB3 LYS 9 1HB LYS 9 -6.294 -10.327 4.235
88 HG2 LYS 9 2HG LYS 9 -8.043 -11.745 4.152
89 HG3 LYS 9 1HG LYS 9 -7.233 -12.555 2.810
90 HD2 LYS 9 2HD LYS 9 -7.592 -14.289 4.372
91 HD3 LYS 9 1HD LYS 9 -5.912 -13.825 4.640
92 HE2 LYS 9 2HE LYS 9 -6.453 -13.501 6.804
93 HE3 LYS 9 1HE LYS 9 -7.376 -12.094 6.276
94 HZ1 LYS 9 3HZ LYS 9 -9.277 -13.135 6.688
95 HZ2 LYS 9 1HZ LYS 9 -8.380 -14.345 7.468
96 HZ3 LYS 9 2HZ LYS 9 -8.799 -14.522 5.831
97 H SER 10 H SER 10 -5.747 -13.183 1.107
98 HA SER 10 HA SER 10 -3.979 -15.165 2.266
99 HB2 SER 10 2HB SER 10 -6.331 -15.525 1.196
100 HB3 SER 10 1HB SER 10 -5.445 -15.532 -0.326
101 HG SER 10 HG SER 10 -5.571 -17.414 1.646
102 H ARG 11 H ARG 11 -2.919 -12.689 0.828
103 HA ARG 11 HA ARG 11 -1.070 -14.171 -0.932
104 HB2 ARG 11 2HB ARG 11 -2.616 -11.673 -1.550
105 HB3 ARG 11 1HB ARG 11 -1.046 -11.953 -2.304
106 HG2 ARG 11 2HG ARG 11 -2.684 -14.351 -2.397
107 HG3 ARG 11 1HG ARG 11 -3.511 -12.989 -3.151
108 HD2 ARG 11 2HD ARG 11 -2.119 -14.189 -4.793
109 HD3 ARG 11 1HD ARG 11 -1.538 -12.545 -4.548
110 HE ARG 11 HE ARG 11 0.348 -13.418 -3.407
111 HH11 ARG 11 1HH2 ARG 11 -1.910 -15.837 -4.426
112 HH12 ARG 11 2HH2 ARG 11 -0.803 -17.154 -4.220
113 HH21 ARG 11 1HH1 ARG 11 1.805 -15.140 -3.137
114 HH22 ARG 11 2HH1 ARG 11 1.300 -16.759 -3.490
115 H CYS 12 H CYS 12 -1.509 -12.010 1.643
116 HA CYS 12 HA CYS 12 1.185 -10.867 1.338
117 HB2 CYS 12 2HB CYS 12 -1.173 -9.712 2.169
118 HB3 CYS 12 1HB CYS 12 -0.365 -10.067 3.696
119 H THR 13 H THR 13 2.603 -12.417 1.969
120 HA THR 13 HA THR 13 2.213 -13.605 4.651
121 HB THR 13 HB THR 13 3.188 -15.571 3.919
122 HG1 THR 13 1HG THR 13 4.588 -15.608 2.108
123 HG21 THR 13 31HG THR 13 2.394 -14.886 1.153
124 HG22 THR 13 1HG2 THR 13 1.170 -14.580 2.385
125 HG23 THR 13 2HG2 THR 13 1.841 -16.200 2.193
126 H ALA 14 H ALA 14 4.240 -14.072 5.839
127 HA ALA 14 HA ALA 14 5.806 -11.767 6.191
128 HB1 ALA 14 1HB ALA 14 5.834 -13.107 8.067
129 HB2 ALA 14 2HB ALA 14 7.378 -13.566 7.348
130 HB3 ALA 14 3HB ALA 14 5.963 -14.596 7.133
131 H PHE 15 H PHE 15 5.815 -13.730 3.590
132 HA PHE 15 HA PHE 15 8.713 -13.429 3.105
133 HB2 PHE 15 2HB PHE 15 8.527 -15.625 2.597
134 HB3 PHE 15 1HB PHE 15 6.770 -15.541 2.491
135 HD1 PHE 15 1HD PHE 15 5.680 -14.750 0.379
136 HD2 PHE 15 2HD PHE 15 9.909 -15.462 0.643
137 HE1 PHE 15 1HE PHE 15 5.829 -14.799 -2.096
138 HE2 PHE 15 2HE PHE 15 10.056 -15.510 -1.832
139 HZ PHE 15 HZ PHE 15 8.015 -15.178 -3.201
140 H GLN 16 H GLN 16 5.488 -12.869 1.797
141 HA GLN 16 HA GLN 16 6.379 -11.698 -0.655
142 HB2 GLN 16 2HB GLN 16 4.025 -12.710 0.216
143 HB3 GLN 16 1HB GLN 16 3.722 -10.986 0.426
144 HG2 GLN 16 2HG GLN 16 3.116 -11.148 -1.761
145 HG3 GLN 16 1HG GLN 16 4.842 -10.920 -2.015
146 HE21 GLN 16 1HE2 GLN 16 5.511 -12.354 -3.618
147 HE22 GLN 16 2HE2 GLN 16 5.022 -13.974 -3.736
148 H CYS 17 H CYS 17 5.113 -10.427 2.411
149 HA CYS 17 HA CYS 17 5.333 -7.687 1.640
150 HB2 CYS 17 2HB CYS 17 4.123 -9.081 3.707
151 HB3 CYS 17 1HB CYS 17 5.404 -8.171 4.510
152 H LYS 18 H LYS 18 7.762 -9.752 1.907
153 HA LYS 18 HA LYS 18 9.548 -7.759 3.170
154 HB2 LYS 18 2HB LYS 18 9.132 -10.229 4.178
155 HB3 LYS 18 1HB LYS 18 10.456 -10.573 3.061
156 HG2 LYS 18 2HG LYS 18 11.838 -8.863 4.078
157 HG3 LYS 18 1HG LYS 18 10.500 -8.325 5.092
158 HD2 LYS 18 2HD LYS 18 10.459 -10.727 6.014
159 HD3 LYS 18 1HD LYS 18 12.041 -10.915 5.256
160 HE2 LYS 18 2HE LYS 18 12.908 -10.005 7.135
161 HE3 LYS 18 1HE LYS 18 12.231 -8.473 6.580
162 HZ1 LYS 18 3HZ LYS 18 11.493 -9.992 8.816
163 HZ2 LYS 18 1HZ LYS 18 10.174 -9.956 7.749
164 HZ3 LYS 18 2HZ LYS 18 10.862 -8.502 8.296
165 H HIS 19 H HIS 19 9.136 -10.170 0.627
166 HA HIS 19 HA HIS 19 11.656 -9.417 -0.632
167 HB2 HIS 19 2HB HIS 19 9.495 -11.340 -1.527
168 HB3 HIS 19 1HB HIS 19 11.074 -11.138 -2.289
169 HD1 HIS 19 1HD HIS 19 10.154 -11.430 1.404
170 HD2 HIS 19 2HD HIS 19 12.529 -13.333 -1.443
171 HE1 HIS 19 1HE HIS 19 11.440 -13.231 2.634
172 HE2 HIS 19 2HE HIS 19 12.894 -14.401 0.911
173 H SER 20 H SER 20 8.247 -9.578 -1.699
174 HA SER 20 HA SER 20 8.764 -7.688 -3.841
175 HB2 SER 20 2HB SER 20 6.405 -8.025 -4.400
176 HB3 SER 20 1HB SER 20 7.198 -9.579 -4.152
177 HG SER 20 HG SER 20 6.127 -9.847 -2.314
178 H NLE 21 H NLE 21 9.364 -5.803 -2.748
179 HA NLE 21 HA NLE 21 8.161 -4.606 -0.581
180 HB2 NLE 21 1HB NLE 21 10.191 -3.688 -1.437
181 HB3 NLE 21 2HB NLE 21 8.964 -2.429 -1.584
182 HG2 NLE 21 1HG NLE 21 9.003 -2.495 -3.866
183 HG3 NLE 21 2HG NLE 21 9.173 -4.248 -3.909
184 HD2 NLE 21 1HD NLE 21 11.567 -3.945 -3.167
185 HD3 NLE 21 2HD NLE 21 11.351 -2.208 -3.378
186 HE1 NLE 21 3HE NLE 21 10.814 -2.539 -5.747
187 HE2 NLE 21 1HE NLE 21 10.936 -4.288 -5.551
188 HE3 NLE 21 2HE NLE 21 12.372 -3.278 -5.382
189 H LYS 22 H LYS 22 7.229 -4.204 -4.005
190 HA LYS 22 HA LYS 22 5.347 -2.270 -3.883
191 HB2 LYS 22 2HB LYS 22 4.061 -3.467 -5.594
192 HB3 LYS 22 1HB LYS 22 5.791 -3.588 -5.918
193 HG2 LYS 22 2HG LYS 22 5.737 -5.804 -4.660
194 HG3 LYS 22 1HG LYS 22 3.978 -5.691 -4.726
195 HD2 LYS 22 2HD LYS 22 4.409 -6.903 -6.665
196 HD3 LYS 22 1HD LYS 22 4.393 -5.255 -7.289
197 HE2 LYS 22 2HE LYS 22 6.985 -6.410 -6.312
198 HE3 LYS 22 1HE LYS 22 6.382 -6.871 -7.902
199 HZ1 LYS 22 3HZ LYS 22 7.661 -4.995 -8.304
200 HZ2 LYS 22 1HZ LYS 22 7.109 -4.185 -6.918
201 HZ3 LYS 22 2HZ LYS 22 6.077 -4.379 -8.253
202 H TYR 23 H TYR 23 5.207 -5.362 -2.285
203 HA TYR 23 HA TYR 23 2.403 -5.248 -1.706
204 HB2 TYR 23 2HB TYR 23 4.703 -6.853 -0.603
205 HB3 TYR 23 1HB TYR 23 3.106 -6.920 0.142
206 HD1 TYR 23 2HD TYR 23 4.722 -7.105 -3.237
207 HD2 TYR 23 1HD TYR 23 1.534 -8.426 -0.683
208 HE1 TYR 23 2HE TYR 23 3.933 -8.637 -5.020
209 HE2 TYR 23 1HE TYR 23 0.748 -9.966 -2.462
210 HH TYR 23 HH TYR 23 1.139 -10.789 -4.482
211 H ARG 24 H ARG 24 5.342 -4.216 -0.065
212 HA ARG 24 HA ARG 24 4.098 -3.420 2.369
213 HB2 ARG 24 2HB ARG 24 6.748 -2.903 1.059
214 HB3 ARG 24 1HB ARG 24 6.284 -1.997 2.500
215 HG2 ARG 24 2HG ARG 24 5.979 -4.052 3.760
216 HG3 ARG 24 1HG ARG 24 6.263 -5.023 2.314
217 HD2 ARG 24 2HD ARG 24 8.193 -3.816 4.127
218 HD3 ARG 24 1HD ARG 24 8.440 -5.049 2.892
219 HE ARG 24 HE ARG 24 8.137 -2.326 1.901
220 HH11 ARG 24 1HH2 ARG 24 10.232 -4.873 2.942
221 HH12 ARG 24 2HH2 ARG 24 11.618 -4.264 2.100
222 HH21 ARG 24 1HH1 ARG 24 9.945 -1.523 0.790
223 HH22 ARG 24 2HH1 ARG 24 11.455 -2.366 0.881
224 H LEU 25 H LEU 25 4.100 -2.006 -0.761
225 HA LEU 25 HA LEU 25 2.757 0.343 0.308
226 HB2 LEU 25 2HB LEU 25 4.298 1.861 -1.045
227 HB3 LEU 25 1HB LEU 25 4.948 1.204 0.457
228 HG LEU 25 HG LEU 25 5.372 -0.526 -1.888
229 HD11 LEU 25 1HD1 LEU 25 6.845 2.119 -1.689
230 HD12 LEU 25 2HD1 LEU 25 5.615 1.750 -2.899
231 HD13 LEU 25 3HD1 LEU 25 7.129 0.845 -2.875
232 HD21 LEU 25 31HD LEU 25 7.532 -0.809 -0.858
233 HD22 LEU 25 1HD2 LEU 25 6.345 -0.770 0.446
234 HD23 LEU 25 2HD2 LEU 25 7.327 0.654 0.104
235 H SER 26 H SER 26 1.682 -1.673 -1.298
236 HA SER 26 HA SER 26 0.762 -0.095 -3.526
237 HB2 SER 26 2HB SER 26 1.585 -1.299 -5.273
238 HB3 SER 26 1HB SER 26 2.954 -1.441 -4.194
239 HG SER 26 HG SER 26 0.876 -3.289 -4.724
240 H PHE 27 H PHE 27 1.010 -3.527 -2.717
241 HA PHE 27 HA PHE 27 -1.833 -3.852 -3.189
242 HB2 PHE 27 2HB PHE 27 0.351 -5.831 -2.568
243 HB3 PHE 27 1HB PHE 27 -1.326 -6.257 -2.880
244 HD1 PHE 27 1HD PHE 27 -2.392 -5.636 -5.119
245 HD2 PHE 27 2HD PHE 27 1.825 -5.294 -4.318
246 HE1 PHE 27 1HE PHE 27 -1.929 -5.501 -7.553
247 HE2 PHE 27 2HE PHE 27 2.280 -5.160 -6.737
248 HZ PHE 27 HZ PHE 27 0.404 -5.263 -8.366
249 H CYS 28 H CYS 28 0.435 -4.626 -0.529
250 HA CYS 28 HA CYS 28 -1.837 -4.948 1.255
251 HB2 CYS 28 2HB CYS 28 1.119 -5.330 1.766
252 HB3 CYS 28 1HB CYS 28 -0.158 -5.657 2.931
253 H ARG 29 H ARG 29 -2.222 -2.589 0.739
254 HA ARG 29 HA ARG 29 -0.568 -0.636 2.047
255 HB2 ARG 29 2HB ARG 29 -3.407 -0.278 1.112
256 HB3 ARG 29 1HB ARG 29 -2.150 0.948 1.253
257 HG2 ARG 29 2HG ARG 29 -1.923 -1.431 -0.600
258 HG3 ARG 29 1HG ARG 29 -2.614 0.110 -1.108
259 HD2 ARG 29 2HD ARG 29 0.215 -0.521 -0.319
260 HD3 ARG 29 1HD ARG 29 -0.376 0.359 -1.723
261 HE ARG 29 HE ARG 29 0.169 1.459 0.888
262 HH11 ARG 29 1HH2 ARG 29 -1.650 1.720 -2.041
263 HH12 ARG 29 2HH2 ARG 29 -1.933 3.422 -1.879
264 HH21 ARG 29 1HH1 ARG 29 -0.199 3.690 1.113
265 HH22 ARG 29 2HH1 ARG 29 -1.116 4.537 -0.088
266 H LYS 30 H LYS 30 -2.093 -2.936 3.536
267 HA LYS 30 HA LYS 30 -2.768 -1.278 5.833
268 HB2 LYS 30 2HB LYS 30 -4.941 -2.969 5.837
269 HB3 LYS 30 1HB LYS 30 -4.973 -1.269 5.376
270 HG2 LYS 30 2HG LYS 30 -6.003 -2.521 3.593
271 HG3 LYS 30 1HG LYS 30 -4.424 -1.992 3.015
272 HD2 LYS 30 2HD LYS 30 -3.544 -4.123 3.053
273 HD3 LYS 30 1HD LYS 30 -4.567 -4.633 4.396
274 HE2 LYS 30 2HE LYS 30 -6.536 -4.564 2.834
275 HE3 LYS 30 1HE LYS 30 -5.413 -4.251 1.511
276 HZ1 LYS 30 3HZ LYS 30 -4.786 -6.372 1.458
277 HZ2 LYS 30 1HZ LYS 30 -6.148 -6.701 2.415
278 HZ3 LYS 30 2HZ LYS 30 -4.633 -6.472 3.147
279 H THR 31 H THR 31 -2.462 -4.481 4.394
280 HA THR 31 HA THR 31 -2.564 -6.002 6.760
281 HB THR 31 HB THR 31 -0.678 -6.945 4.701
282 HG1 THR 31 1HG THR 31 -2.578 -5.565 3.790
283 HG21 THR 31 31HG THR 31 -3.276 -8.233 5.436
284 HG22 THR 31 1HG2 THR 31 -2.006 -8.142 6.658
285 HG23 THR 31 2HG2 THR 31 -1.705 -8.974 5.133
286 H CYS 32 H CYS 32 0.331 -4.992 4.923
287 HA CYS 32 HA CYS 32 2.170 -5.679 6.964
288 HB2 CYS 32 2HB CYS 32 2.256 -4.529 4.336
289 HB3 CYS 32 1HB CYS 32 3.240 -3.547 5.421
290 H GLY 33 H GLY 33 -0.230 -3.547 7.198
291 HA2 GLY 33 2HA GLY 33 -0.671 -1.736 8.548
292 HA3 GLY 33 1HA GLY 33 0.758 -2.210 9.465
293 H THR 34 H THR 34 0.962 -1.502 6.064
294 HA THR 34 HA THR 34 2.929 0.538 6.524
295 HB THR 34 HB THR 34 3.401 -0.571 4.560
296 HG1 THR 34 1HG THR 34 3.025 0.859 2.929
297 HG21 THR 34 31HG THR 34 1.578 -2.027 4.308
298 HG22 THR 34 1HG2 THR 34 1.485 -1.023 2.862
299 HG23 THR 34 2HG2 THR 34 0.413 -0.705 4.226
300 H CYS 35 H CYS 35 -0.492 0.483 6.121
301 HA CYS 35 HA CYS 35 -0.629 3.340 6.553
302 HB2 CYS 35 2HB CYS 35 -0.413 3.334 4.135
303 HB3 CYS 35 1HB CYS 35 -1.693 2.129 3.992
304 HN1 NH2 36 H2 NH2 36 -3.764 2.700 7.985
305 HN2 NH2 36 H1 NH2 36 -2.471 3.780 7.781
Start of MODEL 18
1 HA PFX 0 HA PFX 0 -4.498 14.957 -8.222
2 H1N PFX 0 H1N PFX 0 -4.029 12.565 -9.826
3 H2N PFX 0 H2N PFX 0 -3.492 14.159 -10.067
4 H3N PFX 0 H3N PFX 0 -5.087 13.727 -10.464
5 H1B PFX 0 1HB PFX 0 -6.477 13.153 -7.414
6 H2B PFX 0 2HB PFX 0 -6.621 13.203 -9.170
7 HD1 PFX 0 HD1 PFX 0 -6.142 15.518 -6.256
8 HD2 PFX 0 HD2 PFX 0 -7.875 14.914 -10.134
9 HE1 PFX 0 HE1 PFX 0 -7.258 17.724 -6.097
10 HE2 PFX 0 HE2 PFX 0 -8.994 17.120 -9.981
11 HNH PFX 0 HNH PFX 0 -4.895 11.391 -8.159
12 H11 PFX 0 1HNH PFX 0 -3.950 11.477 -5.389
13 H21 PFX 0 2HNH PFX 0 -3.106 10.385 -6.486
14 H12 PFX 0 1H2 PFX 0 -4.816 8.890 -6.498
15 H22 PFX 0 2H2 PFX 0 -6.042 10.154 -6.584
16 H14 PFX 0 1H4 PFX 0 -7.044 8.444 -5.029
17 H24 PFX 0 2H4 PFX 0 -7.438 10.128 -4.682
18 H15 PFX 0 1H5 PFX 0 -7.690 8.139 -2.855
19 H25 PFX 0 2H5 PFX 0 -7.362 9.815 -2.416
20 H17 PFX 0 1H7 PFX 0 -5.251 10.580 -2.345
21 H27 PFX 0 2H7 PFX 0 -3.939 9.521 -1.834
22 H ARG 1 H ARG 1 -3.484 10.163 0.015
23 HA ARG 1 HA ARG 1 -3.330 8.712 1.861
24 HB2 ARG 1 2HB ARG 1 -4.324 11.197 2.382
25 HB3 ARG 1 1HB ARG 1 -5.576 10.176 3.090
26 HG2 ARG 1 2HG ARG 1 -3.913 10.593 4.795
27 HG3 ARG 1 1HG ARG 1 -3.764 8.909 4.293
28 HD2 ARG 1 2HD ARG 1 -1.716 10.814 4.335
29 HD3 ARG 1 1HD ARG 1 -1.658 9.231 3.565
30 HE ARG 1 HE ARG 1 -2.802 10.657 1.628
31 HH11 ARG 1 1HH2 ARG 1 -0.187 11.417 3.762
32 HH12 ARG 1 2HH2 ARG 1 0.621 12.450 2.629
33 HH21 ARG 1 1HH1 ARG 1 -1.753 12.013 0.138
34 HH22 ARG 1 2HH1 ARG 1 -0.268 12.789 0.577
35 H SER 2 H SER 2 -4.286 6.851 0.639
36 HA SER 2 HA SER 2 -6.542 5.823 2.140
37 HB2 SER 2 2HB SER 2 -7.354 7.142 0.020
38 HB3 SER 2 1HB SER 2 -6.819 5.700 -0.840
39 HG SER 2 HG SER 2 -8.778 5.957 1.185
40 H CYS 3 H CYS 3 -5.393 4.081 2.852
41 HA CYS 3 HA CYS 3 -3.703 2.549 1.072
42 HB2 CYS 3 2HB CYS 3 -4.000 0.991 3.300
43 HB3 CYS 3 1HB CYS 3 -2.783 2.254 3.120
44 H ILE 4 H ILE 4 -4.751 1.446 -0.484
45 HA ILE 4 HA ILE 4 -6.840 -0.446 0.382
46 HB ILE 4 HB ILE 4 -7.432 0.346 -2.275
47 HG12 ILE 4 2HG1 ILE 4 -6.941 2.654 -0.365
48 HG13 ILE 4 1HG1 ILE 4 -6.195 2.404 -1.943
49 HG21 ILE 4 1HG2 ILE 4 -8.792 1.025 0.352
50 HG22 ILE 4 2HG2 ILE 4 -9.018 -0.471 -0.555
51 HG23 ILE 4 31HG ILE 4 -9.546 1.067 -1.241
52 HD11 ILE 4 3HD1 ILE 4 -8.976 2.289 -2.395
53 HD12 ILE 4 1HD1 ILE 4 -7.879 3.591 -2.854
54 HD13 ILE 4 2HD1 ILE 4 -8.727 3.656 -1.309
55 H ASP 5 H ASP 5 -6.631 -2.447 -0.403
56 HA ASP 5 HA ASP 5 -4.316 -3.073 -2.052
57 HB2 ASP 5 2HB ASP 5 -4.647 -5.317 -1.397
58 HB3 ASP 5 1HB ASP 5 -5.076 -4.372 0.031
59 H THR 6 H THR 6 -4.702 -4.931 -3.666
60 HA THR 6 HA THR 6 -7.205 -4.622 -5.164
61 HB THR 6 HB THR 6 -5.690 -3.012 -6.202
62 HG1 THR 6 1HG THR 6 -5.361 -4.730 -8.171
63 HG21 THR 6 31HG THR 6 -3.682 -4.653 -5.387
64 HG22 THR 6 1HG2 THR 6 -3.485 -3.406 -6.619
65 HG23 THR 6 2HG2 THR 6 -3.773 -5.080 -7.096
66 H ILE 7 H ILE 7 -5.342 -6.612 -3.571
67 HA ILE 7 HA ILE 7 -5.922 -8.881 -5.347
68 HB ILE 7 HB ILE 7 -3.771 -9.418 -5.693
69 HG12 ILE 7 2HG1 ILE 7 -3.300 -8.878 -2.743
70 HG13 ILE 7 1HG1 ILE 7 -3.659 -10.448 -3.462
71 HG21 ILE 7 1HG2 ILE 7 -3.598 -6.958 -5.909
72 HG22 ILE 7 2HG2 ILE 7 -2.090 -7.674 -5.339
73 HG23 ILE 7 31HG ILE 7 -3.162 -6.853 -4.204
74 HD11 ILE 7 3HD1 ILE 7 -1.447 -9.256 -4.865
75 HD12 ILE 7 1HD1 ILE 7 -1.486 -10.760 -3.946
76 HD13 ILE 7 2HD1 ILE 7 -1.112 -9.241 -3.134
77 HA PRO 8 HA PRO 8 -7.423 -10.928 -1.779
78 HB2 PRO 8 2HB PRO 8 -6.173 -13.420 -2.003
79 HB3 PRO 8 1HB PRO 8 -7.677 -12.942 -2.808
80 HG2 PRO 8 2HG PRO 8 -4.920 -13.082 -3.876
81 HG3 PRO 8 1HG PRO 8 -6.468 -13.372 -4.687
82 HD2 PRO 8 2HD PRO 8 -5.023 -11.094 -5.061
83 HD3 PRO 8 1HD PRO 8 -6.797 -11.129 -5.159
84 H LYS 9 H LYS 9 -6.529 -9.871 -0.034
85 HA LYS 9 HA LYS 9 -3.943 -9.724 0.845
86 HB2 LYS 9 2HB LYS 9 -5.067 -9.791 3.219
87 HB3 LYS 9 1HB LYS 9 -5.426 -8.466 2.111
88 HG2 LYS 9 2HG LYS 9 -7.164 -10.779 1.680
89 HG3 LYS 9 1HG LYS 9 -7.305 -10.128 3.312
90 HD2 LYS 9 2HD LYS 9 -7.292 -8.247 0.970
91 HD3 LYS 9 1HD LYS 9 -8.774 -9.114 1.376
92 HE2 LYS 9 2HE LYS 9 -7.950 -6.737 2.528
93 HE3 LYS 9 1HE LYS 9 -9.142 -7.841 3.213
94 HZ1 LYS 9 3HZ LYS 9 -7.197 -7.188 4.675
95 HZ2 LYS 9 1HZ LYS 9 -6.242 -8.181 3.686
96 HZ3 LYS 9 2HZ LYS 9 -7.540 -8.847 4.557
97 H SER 10 H SER 10 -5.707 -12.561 0.461
98 HA SER 10 HA SER 10 -4.606 -14.095 2.616
99 HB2 SER 10 2HB SER 10 -6.657 -14.473 0.844
100 HB3 SER 10 1HB SER 10 -5.428 -15.558 0.202
101 HG SER 10 HG SER 10 -5.606 -15.637 2.923
102 H ARG 11 H ARG 11 -3.100 -12.714 0.060
103 HA ARG 11 HA ARG 11 -1.213 -14.954 -0.297
104 HB2 ARG 11 2HB ARG 11 -2.393 -13.096 -2.139
105 HB3 ARG 11 1HB ARG 11 -0.645 -12.863 -2.129
106 HG2 ARG 11 2HG ARG 11 -0.216 -15.048 -2.836
107 HG3 ARG 11 1HG ARG 11 -1.767 -15.651 -2.249
108 HD2 ARG 11 2HD ARG 11 -1.949 -13.559 -4.325
109 HD3 ARG 11 1HD ARG 11 -1.251 -15.084 -4.863
110 HE ARG 11 HE ARG 11 -3.610 -15.571 -3.353
111 HH11 ARG 11 1HH2 ARG 11 -2.475 -14.358 -6.389
112 HH12 ARG 11 2HH2 ARG 11 -3.903 -14.807 -7.259
113 HH21 ARG 11 1HH1 ARG 11 -5.483 -16.168 -4.490
114 HH22 ARG 11 2HH1 ARG 11 -5.606 -15.830 -6.183
115 H CYS 12 H CYS 12 -1.583 -12.250 1.525
116 HA CYS 12 HA CYS 12 1.045 -11.092 1.290
117 HB2 CYS 12 2HB CYS 12 -1.354 -10.340 2.484
118 HB3 CYS 12 1HB CYS 12 -0.287 -10.664 3.849
119 H THR 13 H THR 13 2.358 -13.000 1.451
120 HA THR 13 HA THR 13 2.361 -14.484 3.950
121 HB THR 13 HB THR 13 3.996 -15.880 2.942
122 HG1 THR 13 1HG THR 13 4.327 -14.188 0.748
123 HG21 THR 13 31HG THR 13 1.931 -16.340 1.889
124 HG22 THR 13 1HG2 THR 13 3.063 -16.156 0.550
125 HG23 THR 13 2HG2 THR 13 1.971 -14.839 0.968
126 H ALA 14 H ALA 14 4.207 -14.625 5.344
127 HA ALA 14 HA ALA 14 5.322 -12.120 6.040
128 HB1 ALA 14 1HB ALA 14 6.993 -13.912 7.236
129 HB2 ALA 14 2HB ALA 14 5.576 -14.920 6.945
130 HB3 ALA 14 3HB ALA 14 5.424 -13.438 7.889
131 H PHE 15 H PHE 15 5.904 -13.802 3.358
132 HA PHE 15 HA PHE 15 8.788 -13.165 3.289
133 HB2 PHE 15 2HB PHE 15 8.906 -15.356 2.721
134 HB3 PHE 15 1HB PHE 15 7.201 -15.436 2.283
135 HD1 PHE 15 1HD PHE 15 10.601 -14.680 1.096
136 HD2 PHE 15 2HD PHE 15 6.450 -14.890 0.018
137 HE1 PHE 15 1HE PHE 15 11.219 -14.550 -1.300
138 HE2 PHE 15 2HE PHE 15 7.068 -14.764 -2.383
139 HZ PHE 15 HZ PHE 15 9.454 -14.593 -3.041
140 H GLN 16 H GLN 16 5.678 -12.711 1.738
141 HA GLN 16 HA GLN 16 6.733 -11.460 -0.628
142 HB2 GLN 16 2HB GLN 16 4.055 -11.976 0.543
143 HB3 GLN 16 1HB GLN 16 4.181 -10.598 -0.549
144 HG2 GLN 16 2HG GLN 16 5.152 -13.394 -1.199
145 HG3 GLN 16 1HG GLN 16 3.614 -12.722 -1.736
146 HE21 GLN 16 1HE2 GLN 16 5.924 -13.542 -3.443
147 HE22 GLN 16 2HE2 GLN 16 6.381 -12.148 -4.297
148 H CYS 17 H CYS 17 5.471 -10.366 2.473
149 HA CYS 17 HA CYS 17 5.652 -7.548 1.801
150 HB2 CYS 17 2HB CYS 17 3.978 -8.553 3.401
151 HB3 CYS 17 1HB CYS 17 5.313 -8.816 4.524
152 H LYS 18 H LYS 18 8.078 -9.452 1.826
153 HA LYS 18 HA LYS 18 9.806 -7.647 3.388
154 HB2 LYS 18 2HB LYS 18 9.263 -9.860 4.600
155 HB3 LYS 18 1HB LYS 18 10.291 -10.615 3.381
156 HG2 LYS 18 2HG LYS 18 12.058 -8.868 3.997
157 HG3 LYS 18 1HG LYS 18 11.053 -8.499 5.399
158 HD2 LYS 18 2HD LYS 18 11.406 -11.365 5.120
159 HD3 LYS 18 1HD LYS 18 12.968 -10.548 5.196
160 HE2 LYS 18 2HE LYS 18 12.327 -11.008 7.464
161 HE3 LYS 18 1HE LYS 18 12.082 -9.280 7.210
162 HZ1 LYS 18 3HZ LYS 18 9.744 -9.719 6.769
163 HZ2 LYS 18 1HZ LYS 18 10.185 -10.263 8.313
164 HZ3 LYS 18 2HZ LYS 18 9.986 -11.377 7.046
165 H HIS 19 H HIS 19 9.488 -10.066 0.843
166 HA HIS 19 HA HIS 19 12.122 -9.333 -0.228
167 HB2 HIS 19 2HB HIS 19 10.199 -11.461 -1.195
168 HB3 HIS 19 1HB HIS 19 11.887 -11.262 -1.669
169 HD1 HIS 19 1HD HIS 19 10.076 -11.498 1.698
170 HD2 HIS 19 2HD HIS 19 13.442 -13.019 -0.235
171 HE1 HIS 19 1HE HIS 19 11.226 -13.021 3.360
172 HE2 HIS 19 2HE HIS 19 13.273 -13.967 2.193
173 H SER 20 H SER 20 8.704 -9.028 -0.847
174 HA SER 20 HA SER 20 9.293 -7.585 -3.361
175 HB2 SER 20 2HB SER 20 7.215 -9.482 -2.606
176 HB3 SER 20 1HB SER 20 6.546 -7.988 -3.255
177 HG SER 20 HG SER 20 8.678 -9.407 -4.469
178 H NLE 21 H NLE 21 8.722 -5.463 -3.519
179 HA NLE 21 HA NLE 21 7.822 -4.170 -1.069
180 HB2 NLE 21 1HB NLE 21 9.755 -3.296 -2.378
181 HB3 NLE 21 2HB NLE 21 8.484 -2.110 -2.087
182 HG2 NLE 21 1HG NLE 21 7.555 -2.649 -4.361
183 HG3 NLE 21 2HG NLE 21 8.965 -3.676 -4.637
184 HD2 NLE 21 1HD NLE 21 10.140 -1.389 -3.750
185 HD3 NLE 21 2HD NLE 21 8.745 -0.726 -4.587
186 HE1 NLE 21 3HE NLE 21 10.821 -1.056 -6.031
187 HE2 NLE 21 1HE NLE 21 9.354 -1.825 -6.638
188 HE3 NLE 21 2HE NLE 21 10.585 -2.791 -5.825
189 H LYS 22 H LYS 22 6.539 -5.045 -4.178
190 HA LYS 22 HA LYS 22 4.443 -3.127 -4.245
191 HB2 LYS 22 2HB LYS 22 3.539 -4.340 -6.055
192 HB3 LYS 22 1HB LYS 22 5.279 -4.558 -6.193
193 HG2 LYS 22 2HG LYS 22 3.953 -6.627 -4.551
194 HG3 LYS 22 1HG LYS 22 3.437 -6.594 -6.232
195 HD2 LYS 22 2HD LYS 22 6.339 -6.563 -5.417
196 HD3 LYS 22 1HD LYS 22 5.448 -8.050 -5.737
197 HE2 LYS 22 2HE LYS 22 5.823 -7.775 -7.938
198 HE3 LYS 22 1HE LYS 22 4.898 -6.275 -7.888
199 HZ1 LYS 22 3HZ LYS 22 6.941 -5.563 -8.615
200 HZ2 LYS 22 1HZ LYS 22 7.803 -6.671 -7.663
201 HZ3 LYS 22 2HZ LYS 22 7.083 -5.312 -6.940
202 H TYR 23 H TYR 23 4.869 -4.613 -1.715
203 HA TYR 23 HA TYR 23 2.117 -5.632 -1.357
204 HB2 TYR 23 2HB TYR 23 4.714 -6.781 -0.641
205 HB3 TYR 23 1HB TYR 23 3.606 -6.679 0.727
206 HD1 TYR 23 1HD TYR 23 1.241 -7.611 0.442
207 HD2 TYR 23 2HD TYR 23 4.434 -8.437 -2.307
208 HE1 TYR 23 1HE TYR 23 -0.004 -9.580 -0.411
209 HE2 TYR 23 2HE TYR 23 3.187 -10.405 -3.163
210 HH TYR 23 HH TYR 23 0.774 -11.142 -3.274
211 H ARG 24 H ARG 24 4.889 -4.009 0.113
212 HA ARG 24 HA ARG 24 3.523 -3.141 2.462
213 HB2 ARG 24 2HB ARG 24 6.080 -2.261 1.117
214 HB3 ARG 24 1HB ARG 24 5.502 -1.557 2.627
215 HG2 ARG 24 2HG ARG 24 5.447 -3.840 3.631
216 HG3 ARG 24 1HG ARG 24 6.132 -4.483 2.137
217 HD2 ARG 24 2HD ARG 24 7.416 -2.449 3.979
218 HD3 ARG 24 1HD ARG 24 7.925 -4.117 3.745
219 HE ARG 24 HE ARG 24 7.990 -2.128 1.548
220 HH11 ARG 24 1HH2 ARG 24 9.434 -4.645 3.464
221 HH12 ARG 24 2HH2 ARG 24 10.849 -4.758 2.476
222 HH21 ARG 24 1HH1 ARG 24 9.849 -2.286 0.268
223 HH22 ARG 24 2HH1 ARG 24 11.083 -3.431 0.673
224 H LEU 25 H LEU 25 3.287 -2.152 -0.763
225 HA LEU 25 HA LEU 25 1.638 0.100 -0.031
226 HB2 LEU 25 2HB LEU 25 2.957 1.739 -1.397
227 HB3 LEU 25 1HB LEU 25 3.749 1.241 0.099
228 HG LEU 25 HG LEU 25 4.410 -0.567 -2.078
229 HD11 LEU 25 1HD1 LEU 25 5.929 1.246 -3.166
230 HD12 LEU 25 2HD1 LEU 25 4.780 2.397 -2.485
231 HD13 LEU 25 3HD1 LEU 25 4.232 1.185 -3.642
232 HD21 LEU 25 31HD LEU 25 5.612 -0.270 0.103
233 HD22 LEU 25 1HD2 LEU 25 6.122 1.329 -0.440
234 HD23 LEU 25 2HD2 LEU 25 6.673 -0.111 -1.297
235 H SER 26 H SER 26 0.994 -2.222 -1.353
236 HA SER 26 HA SER 26 -0.015 -1.163 -3.855
237 HB2 SER 26 2HB SER 26 2.326 -2.806 -3.870
238 HB3 SER 26 1HB SER 26 1.000 -3.729 -4.561
239 HG SER 26 HG SER 26 1.217 -2.534 -6.262
240 H PHE 27 H PHE 27 0.516 -4.268 -2.191
241 HA PHE 27 HA PHE 27 -2.326 -4.925 -2.603
242 HB2 PHE 27 2HB PHE 27 -0.192 -6.773 -1.541
243 HB3 PHE 27 1HB PHE 27 -1.734 -7.198 -2.275
244 HD1 PHE 27 2HD PHE 27 -1.527 -5.075 -4.568
245 HD2 PHE 27 1HD PHE 27 1.187 -8.050 -3.068
246 HE1 PHE 27 2HE PHE 27 -0.436 -5.199 -6.783
247 HE2 PHE 27 1HE PHE 27 2.270 -8.178 -5.289
248 HZ PHE 27 HZ PHE 27 1.460 -6.751 -7.149
249 H CYS 28 H CYS 28 0.121 -5.281 -0.010
250 HA CYS 28 HA CYS 28 -2.028 -5.197 1.977
251 HB2 CYS 28 2HB CYS 28 0.835 -6.029 1.975
252 HB3 CYS 28 1HB CYS 28 0.155 -5.437 3.493
253 H ARG 29 H ARG 29 -2.257 -2.906 0.975
254 HA ARG 29 HA ARG 29 -0.444 -0.852 1.696
255 HB2 ARG 29 2HB ARG 29 -3.398 -0.773 1.058
256 HB3 ARG 29 1HB ARG 29 -2.371 0.653 1.210
257 HG2 ARG 29 2HG ARG 29 -1.223 -1.373 -0.559
258 HG3 ARG 29 1HG ARG 29 -2.797 -0.797 -1.116
259 HD2 ARG 29 2HD ARG 29 -0.740 0.537 -1.893
260 HD3 ARG 29 1HD ARG 29 -2.068 1.459 -1.195
261 HE ARG 29 HE ARG 29 0.141 0.641 0.568
262 HH11 ARG 29 1HH2 ARG 29 -1.596 3.077 -1.179
263 HH12 ARG 29 2HH2 ARG 29 -0.868 4.398 -0.328
264 HH21 ARG 29 1HH1 ARG 29 1.100 2.370 1.682
265 HH22 ARG 29 2HH1 ARG 29 0.658 3.999 1.291
266 H LYS 30 H LYS 30 -1.963 -2.793 3.784
267 HA LYS 30 HA LYS 30 -1.930 -0.770 5.887
268 HB2 LYS 30 2HB LYS 30 -4.256 -1.780 6.617
269 HB3 LYS 30 1HB LYS 30 -4.181 -0.452 5.459
270 HG2 LYS 30 2HG LYS 30 -4.439 -1.948 3.598
271 HG3 LYS 30 1HG LYS 30 -4.209 -3.361 4.628
272 HD2 LYS 30 2HD LYS 30 -6.308 -2.062 5.863
273 HD3 LYS 30 1HD LYS 30 -6.632 -1.769 4.155
274 HE2 LYS 30 2HE LYS 30 -6.362 -4.411 5.585
275 HE3 LYS 30 1HE LYS 30 -7.698 -3.834 4.589
276 HZ1 LYS 30 3HZ LYS 30 -6.289 -3.951 2.652
277 HZ2 LYS 30 1HZ LYS 30 -6.317 -5.459 3.427
278 HZ3 LYS 30 2HZ LYS 30 -4.964 -4.445 3.596
279 H THR 31 H THR 31 -2.584 -4.118 4.980
280 HA THR 31 HA THR 31 -2.528 -5.408 7.396
281 HB THR 31 HB THR 31 -0.896 -6.920 5.605
282 HG1 THR 31 1HG THR 31 -2.939 -5.359 4.455
283 HG21 THR 31 31HG THR 31 -2.484 -7.985 7.028
284 HG22 THR 31 1HG2 THR 31 -3.099 -8.197 5.389
285 HG23 THR 31 2HG2 THR 31 -3.800 -6.967 6.441
286 H CYS 32 H CYS 32 0.309 -4.560 5.412
287 HA CYS 32 HA CYS 32 2.141 -5.369 7.495
288 HB2 CYS 32 2HB CYS 32 2.492 -4.047 4.803
289 HB3 CYS 32 1HB CYS 32 3.839 -4.294 5.915
290 H GLY 33 H GLY 33 0.088 -3.129 7.801
291 HA2 GLY 33 2HA GLY 33 -0.055 -1.066 8.816
292 HA3 GLY 33 1HA GLY 33 1.436 -1.536 9.625
293 H THR 34 H THR 34 1.020 -1.081 6.151
294 HA THR 34 HA THR 34 3.284 0.709 6.082
295 HB THR 34 HB THR 34 3.371 -0.367 4.101
296 HG1 THR 34 1HG THR 34 3.005 1.378 2.997
297 HG21 THR 34 31HG THR 34 1.636 -1.951 4.567
298 HG22 THR 34 1HG2 THR 34 1.289 -1.281 2.974
299 HG23 THR 34 2HG2 THR 34 0.380 -0.725 4.378
300 H CYS 35 H CYS 35 -0.201 1.027 5.384
301 HA CYS 35 HA CYS 35 -0.580 3.485 4.481
302 HB2 CYS 35 2HB CYS 35 -2.260 1.859 5.686
303 HB3 CYS 35 1HB CYS 35 -1.984 2.926 7.062
304 HN1 NH2 36 H2 NH2 36 0.466 4.755 8.233
305 HN2 NH2 36 H1 NH2 36 -0.433 3.326 8.058
Start of MODEL 19
1 HA PFX 0 HA PFX 0 -6.411 12.721 3.023
2 H1N PFX 0 H1N PFX 0 -6.764 15.050 2.988
3 H2N PFX 0 H2N PFX 0 -7.244 14.500 4.522
4 H3N PFX 0 H3N PFX 0 -8.412 14.882 3.350
5 H1B PFX 0 1HB PFX 0 -9.180 11.895 3.400
6 H2B PFX 0 2HB PFX 0 -8.560 12.757 4.810
7 HD1 PFX 0 HD1 PFX 0 -7.007 10.431 2.306
8 HD2 PFX 0 HD2 PFX 0 -7.827 11.260 6.435
9 HE1 PFX 0 HE1 PFX 0 -5.716 8.421 2.964
10 HE2 PFX 0 HE2 PFX 0 -6.536 9.252 7.097
11 HNH PFX 0 HNH PFX 0 -6.842 11.763 0.522
12 H11 PFX 0 1HNH PFX 0 -5.650 14.170 0.335
13 H21 PFX 0 2HNH PFX 0 -7.206 14.482 -0.431
14 H12 PFX 0 1H2 PFX 0 -5.047 13.594 -1.796
15 H22 PFX 0 2H2 PFX 0 -6.703 13.217 -2.272
16 H14 PFX 0 1H4 PFX 0 -3.745 11.138 -1.780
17 H24 PFX 0 2H4 PFX 0 -4.687 11.810 -3.110
18 H15 PFX 0 1H5 PFX 0 -5.064 9.673 -3.747
19 H25 PFX 0 2H5 PFX 0 -6.135 9.556 -2.351
20 H17 PFX 0 1H7 PFX 0 -5.798 7.431 -1.900
21 H27 PFX 0 2H7 PFX 0 -4.209 6.774 -1.508
22 H ARG 1 H ARG 1 -2.757 7.719 -3.584
23 HA ARG 1 HA ARG 1 -3.590 5.672 -5.536
24 HB2 ARG 1 2HB ARG 1 -2.514 7.865 -6.281
25 HB3 ARG 1 1HB ARG 1 -1.021 7.254 -5.566
26 HG2 ARG 1 2HG ARG 1 -0.958 6.638 -7.882
27 HG3 ARG 1 1HG ARG 1 -1.334 5.166 -6.986
28 HD2 ARG 1 2HD ARG 1 -3.261 4.941 -8.119
29 HD3 ARG 1 1HD ARG 1 -3.787 6.529 -7.570
30 HE ARG 1 HE ARG 1 -1.974 6.363 -9.886
31 HH11 ARG 1 1HH2 ARG 1 -5.080 7.028 -8.500
32 HH12 ARG 1 2HH2 ARG 1 -5.669 7.878 -9.889
33 HH21 ARG 1 1HH1 ARG 1 -2.748 7.473 -11.710
34 HH22 ARG 1 2HH1 ARG 1 -4.351 8.126 -11.705
35 H SER 2 H SER 2 -1.084 6.421 -3.140
36 HA SER 2 HA SER 2 0.128 3.790 -3.460
37 HB2 SER 2 2HB SER 2 1.934 4.651 -2.360
38 HB3 SER 2 1HB SER 2 1.216 6.179 -2.866
39 HG SER 2 HG SER 2 -0.008 5.447 -0.655
40 H CYS 3 H CYS 3 -2.599 3.796 -2.547
41 HA CYS 3 HA CYS 3 -2.264 2.166 -0.189
42 HB2 CYS 3 2HB CYS 3 -3.753 4.792 -0.017
43 HB3 CYS 3 1HB CYS 3 -3.905 3.495 1.169
44 H ILE 4 H ILE 4 -3.081 0.846 -2.068
45 HA ILE 4 HA ILE 4 -5.968 0.546 -1.804
46 HB ILE 4 HB ILE 4 -5.832 0.264 -4.483
47 HG12 ILE 4 2HG1 ILE 4 -4.109 2.691 -3.944
48 HG13 ILE 4 1HG1 ILE 4 -3.402 1.113 -4.292
49 HG21 ILE 4 1HG2 ILE 4 -6.729 2.654 -4.561
50 HG22 ILE 4 2HG2 ILE 4 -6.379 2.741 -2.834
51 HG23 ILE 4 31HG ILE 4 -7.546 1.565 -3.439
52 HD11 ILE 4 3HD1 ILE 4 -3.656 1.560 -6.484
53 HD12 ILE 4 1HD1 ILE 4 -4.564 3.028 -6.127
54 HD13 ILE 4 2HD1 ILE 4 -5.401 1.481 -6.242
55 H ASP 5 H ASP 5 -6.446 -1.587 -1.705
56 HA ASP 5 HA ASP 5 -4.320 -3.496 -2.330
57 HB2 ASP 5 2HB ASP 5 -6.110 -5.141 -1.401
58 HB3 ASP 5 1HB ASP 5 -5.280 -4.055 -0.283
59 H THR 6 H THR 6 -4.737 -5.399 -3.557
60 HA THR 6 HA THR 6 -6.936 -5.201 -5.510
61 HB THR 6 HB THR 6 -5.304 -5.887 -7.284
62 HG1 THR 6 1HG THR 6 -3.522 -6.606 -6.440
63 HG21 THR 6 31HG THR 6 -5.348 -3.288 -5.884
64 HG22 THR 6 1HG2 THR 6 -5.602 -3.651 -7.592
65 HG23 THR 6 2HG2 THR 6 -3.964 -3.535 -6.949
66 H ILE 7 H ILE 7 -5.636 -6.878 -3.111
67 HA ILE 7 HA ILE 7 -6.646 -9.432 -4.086
68 HB ILE 7 HB ILE 7 -4.663 -10.605 -4.018
69 HG12 ILE 7 2HG1 ILE 7 -4.023 -9.973 -1.718
70 HG13 ILE 7 1HG1 ILE 7 -2.645 -9.884 -2.808
71 HG21 ILE 7 1HG2 ILE 7 -4.496 -8.985 -5.838
72 HG22 ILE 7 2HG2 ILE 7 -2.906 -9.282 -5.141
73 HG23 ILE 7 31HG ILE 7 -3.781 -7.806 -4.739
74 HD11 ILE 7 3HD1 ILE 7 -2.858 -7.909 -1.271
75 HD12 ILE 7 1HD1 ILE 7 -4.346 -7.490 -2.105
76 HD13 ILE 7 2HD1 ILE 7 -2.830 -7.493 -2.985
77 HA PRO 8 HA PRO 8 -7.711 -9.874 0.184
78 HB2 PRO 8 2HB PRO 8 -7.818 -12.601 0.408
79 HB3 PRO 8 1HB PRO 8 -9.057 -11.643 -0.423
80 HG2 PRO 8 2HG PRO 8 -6.859 -13.282 -1.548
81 HG3 PRO 8 1HG PRO 8 -8.491 -12.991 -2.171
82 HD2 PRO 8 2HD PRO 8 -6.212 -11.743 -3.123
83 HD3 PRO 8 1HD PRO 8 -7.855 -11.101 -3.305
84 H LYS 9 H LYS 9 -6.836 -10.480 2.259
85 HA LYS 9 HA LYS 9 -4.092 -10.287 2.563
86 HB2 LYS 9 2HB LYS 9 -4.453 -11.177 4.858
87 HB3 LYS 9 1HB LYS 9 -5.607 -9.915 4.423
88 HG2 LYS 9 2HG LYS 9 -7.242 -11.366 4.981
89 HG3 LYS 9 1HG LYS 9 -6.807 -12.276 3.536
90 HD2 LYS 9 2HD LYS 9 -6.728 -13.814 5.389
91 HD3 LYS 9 1HD LYS 9 -5.063 -13.472 4.919
92 HE2 LYS 9 2HE LYS 9 -5.758 -13.375 7.462
93 HE3 LYS 9 1HE LYS 9 -4.653 -12.169 6.805
94 HZ1 LYS 9 3HZ LYS 9 -6.421 -10.627 6.570
95 HZ2 LYS 9 1HZ LYS 9 -6.521 -11.253 8.143
96 HZ3 LYS 9 2HZ LYS 9 -7.592 -11.800 6.943
97 H SER 10 H SER 10 -5.623 -12.801 1.099
98 HA SER 10 HA SER 10 -4.078 -14.985 2.187
99 HB2 SER 10 2HB SER 10 -6.220 -15.582 1.363
100 HB3 SER 10 1HB SER 10 -5.961 -14.724 -0.153
101 HG SER 10 HG SER 10 -4.006 -16.348 -0.104
102 H ARG 11 H ARG 11 -3.310 -12.471 0.118
103 HA ARG 11 HA ARG 11 -1.341 -14.132 -1.339
104 HB2 ARG 11 2HB ARG 11 -3.038 -11.911 -2.130
105 HB3 ARG 11 1HB ARG 11 -1.341 -11.596 -2.491
106 HG2 ARG 11 2HG ARG 11 -2.783 -14.152 -3.244
107 HG3 ARG 11 1HG ARG 11 -2.560 -12.787 -4.339
108 HD2 ARG 11 2HD ARG 11 -0.547 -13.632 -4.882
109 HD3 ARG 11 1HD ARG 11 -0.017 -13.290 -3.238
110 HE ARG 11 HE ARG 11 -1.324 -15.689 -3.023
111 HH11 ARG 11 1HH2 ARG 11 1.218 -14.418 -5.001
112 HH12 ARG 11 2HH2 ARG 11 2.022 -15.941 -5.185
113 HH21 ARG 11 1HH1 ARG 11 -0.276 -17.689 -3.262
114 HH22 ARG 11 2HH1 ARG 11 1.176 -17.794 -4.200
115 H CYS 12 H CYS 12 -1.600 -12.173 1.300
116 HA CYS 12 HA CYS 12 1.066 -10.969 0.953
117 HB2 CYS 12 2HB CYS 12 -1.095 -9.702 1.774
118 HB3 CYS 12 1HB CYS 12 -0.679 -10.430 3.325
119 H THR 13 H THR 13 2.459 -12.634 1.377
120 HA THR 13 HA THR 13 2.139 -14.087 3.920
121 HB THR 13 HB THR 13 3.311 -15.831 2.995
122 HG1 THR 13 1HG THR 13 4.760 -13.762 1.875
123 HG21 THR 13 31HG THR 13 1.398 -15.484 1.523
124 HG22 THR 13 1HG2 THR 13 2.777 -16.029 0.569
125 HG23 THR 13 2HG2 THR 13 2.316 -14.326 0.559
126 H ALA 14 H ALA 14 4.051 -14.414 5.251
127 HA ALA 14 HA ALA 14 5.375 -12.001 5.868
128 HB1 ALA 14 1HB ALA 14 6.710 -14.484 6.725
129 HB2 ALA 14 2HB ALA 14 5.001 -14.380 7.152
130 HB3 ALA 14 3HB ALA 14 6.121 -13.127 7.687
131 H PHE 15 H PHE 15 5.799 -13.841 3.218
132 HA PHE 15 HA PHE 15 8.715 -13.409 3.087
133 HB2 PHE 15 2HB PHE 15 8.614 -15.574 2.428
134 HB3 PHE 15 1HB PHE 15 6.897 -15.478 2.048
135 HD1 PHE 15 2HD PHE 15 10.238 -14.338 0.785
136 HD2 PHE 15 1HD PHE 15 6.202 -15.444 -0.184
137 HE1 PHE 15 2HE PHE 15 10.777 -14.189 -1.632
138 HE2 PHE 15 1HE PHE 15 6.740 -15.295 -2.599
139 HZ PHE 15 HZ PHE 15 9.027 -14.669 -3.324
140 H GLN 16 H GLN 16 5.638 -12.638 1.600
141 HA GLN 16 HA GLN 16 6.854 -11.278 -0.658
142 HB2 GLN 16 2HB GLN 16 4.093 -11.901 0.254
143 HB3 GLN 16 1HB GLN 16 4.296 -10.468 -0.755
144 HG2 GLN 16 2HG GLN 16 5.722 -12.929 -1.630
145 HG3 GLN 16 1HG GLN 16 3.967 -12.932 -1.794
146 HE21 GLN 16 1HE2 GLN 16 6.516 -12.439 -3.691
147 HE22 GLN 16 2HE2 GLN 16 5.973 -11.149 -4.650
148 H CYS 17 H CYS 17 5.338 -10.440 2.418
149 HA CYS 17 HA CYS 17 5.417 -7.602 1.942
150 HB2 CYS 17 2HB CYS 17 3.766 -8.669 3.464
151 HB3 CYS 17 1HB CYS 17 5.085 -9.100 4.553
152 H LYS 18 H LYS 18 7.935 -9.315 1.822
153 HA LYS 18 HA LYS 18 9.563 -7.513 3.475
154 HB2 LYS 18 2HB LYS 18 9.162 -9.879 4.511
155 HB3 LYS 18 1HB LYS 18 10.296 -10.422 3.276
156 HG2 LYS 18 2HG LYS 18 11.168 -8.026 4.786
157 HG3 LYS 18 1HG LYS 18 11.046 -9.501 5.738
158 HD2 LYS 18 2HD LYS 18 12.619 -10.638 4.414
159 HD3 LYS 18 1HD LYS 18 12.430 -9.518 3.066
160 HE2 LYS 18 2HE LYS 18 13.462 -8.536 5.718
161 HE3 LYS 18 1HE LYS 18 14.554 -9.310 4.570
162 HZ1 LYS 18 3HZ LYS 18 14.694 -7.132 3.927
163 HZ2 LYS 18 1HZ LYS 18 13.082 -6.782 4.322
164 HZ3 LYS 18 2HZ LYS 18 13.438 -7.665 2.914
165 H HIS 19 H HIS 19 9.332 -9.773 0.780
166 HA HIS 19 HA HIS 19 11.886 -8.791 -0.302
167 HB2 HIS 19 2HB HIS 19 10.109 -11.013 -1.334
168 HB3 HIS 19 1HB HIS 19 11.751 -10.644 -1.860
169 HD1 HIS 19 1HD HIS 19 10.185 -11.131 1.598
170 HD2 HIS 19 2HD HIS 19 13.427 -12.471 -0.656
171 HE1 HIS 19 1HE HIS 19 11.488 -12.713 3.086
172 HE2 HIS 19 2HE HIS 19 13.471 -13.534 1.728
173 H SER 20 H SER 20 8.440 -9.047 -1.100
174 HA SER 20 HA SER 20 8.800 -7.574 -3.584
175 HB2 SER 20 2HB SER 20 6.333 -8.621 -2.185
176 HB3 SER 20 1HB SER 20 6.311 -7.781 -3.733
177 HG SER 20 HG SER 20 7.321 -9.448 -4.665
178 H NLE 21 H NLE 21 8.884 -5.430 -3.650
179 HA NLE 21 HA NLE 21 8.219 -3.819 -1.363
180 HB2 NLE 21 1HB NLE 21 8.712 -2.670 -4.086
181 HB3 NLE 21 2HB NLE 21 10.030 -3.445 -3.217
182 HG2 NLE 21 1HG NLE 21 8.351 -1.500 -1.706
183 HG3 NLE 21 2HG NLE 21 9.473 -0.847 -2.901
184 HD2 NLE 21 1HD NLE 21 10.590 -2.950 -1.144
185 HD3 NLE 21 2HD NLE 21 10.167 -1.443 -0.329
186 HE1 NLE 21 3HE NLE 21 12.550 -1.697 -1.395
187 HE2 NLE 21 1HE NLE 21 11.670 -0.184 -1.611
188 HE3 NLE 21 2HE NLE 21 11.710 -1.375 -2.911
189 H LYS 22 H LYS 22 6.790 -4.431 -4.542
190 HA LYS 22 HA LYS 22 4.706 -2.496 -4.309
191 HB2 LYS 22 2HB LYS 22 3.644 -3.841 -6.157
192 HB3 LYS 22 1HB LYS 22 5.285 -3.294 -6.499
193 HG2 LYS 22 2HG LYS 22 5.894 -5.429 -6.852
194 HG3 LYS 22 1HG LYS 22 5.519 -5.790 -5.166
195 HD2 LYS 22 2HD LYS 22 3.269 -6.389 -5.694
196 HD3 LYS 22 1HD LYS 22 3.398 -5.718 -7.319
197 HE2 LYS 22 2HE LYS 22 3.568 -8.202 -7.315
198 HE3 LYS 22 1HE LYS 22 5.027 -7.433 -7.939
199 HZ1 LYS 22 3HZ LYS 22 4.628 -8.950 -5.502
200 HZ2 LYS 22 1HZ LYS 22 5.587 -7.560 -5.338
201 HZ3 LYS 22 2HZ LYS 22 6.024 -8.764 -6.453
202 H TYR 23 H TYR 23 5.050 -4.240 -1.984
203 HA TYR 23 HA TYR 23 2.298 -5.271 -1.889
204 HB2 TYR 23 2HB TYR 23 4.827 -6.642 -1.227
205 HB3 TYR 23 1HB TYR 23 3.536 -6.831 -0.041
206 HD1 TYR 23 2HD TYR 23 4.072 -6.920 -3.751
207 HD2 TYR 23 1HD TYR 23 1.938 -8.503 -0.381
208 HE1 TYR 23 2HE TYR 23 2.959 -8.570 -5.233
209 HE2 TYR 23 1HE TYR 23 0.827 -10.156 -1.858
210 HH TYR 23 HH TYR 23 0.323 -10.555 -4.113
211 H ARG 24 H ARG 24 5.065 -4.162 0.060
212 HA ARG 24 HA ARG 24 3.474 -3.647 2.391
213 HB2 ARG 24 2HB ARG 24 6.236 -2.655 1.638
214 HB3 ARG 24 1HB ARG 24 5.500 -2.514 3.235
215 HG2 ARG 24 2HG ARG 24 6.410 -4.532 3.685
216 HG3 ARG 24 1HG ARG 24 5.184 -5.206 2.609
217 HD2 ARG 24 2HD ARG 24 7.519 -5.894 2.007
218 HD3 ARG 24 1HD ARG 24 6.679 -5.047 0.711
219 HE ARG 24 HE ARG 24 8.005 -3.059 2.044
220 HH11 ARG 24 1HH2 ARG 24 8.877 -6.106 0.652
221 HH12 ARG 24 2HH2 ARG 24 10.477 -5.605 0.217
222 HH21 ARG 24 1HH1 ARG 24 10.099 -2.396 1.472
223 HH22 ARG 24 2HH1 ARG 24 11.166 -3.502 0.676
224 H LEU 25 H LEU 25 3.162 -2.270 -0.460
225 HA LEU 25 HA LEU 25 2.080 0.175 0.613
226 HB2 LEU 25 2HB LEU 25 3.480 1.617 -0.956
227 HB3 LEU 25 1HB LEU 25 4.300 1.008 0.481
228 HG LEU 25 HG LEU 25 4.933 -1.010 -1.099
229 HD11 LEU 25 1HD1 LEU 25 4.199 1.228 -2.993
230 HD12 LEU 25 2HD1 LEU 25 3.690 -0.460 -3.050
231 HD13 LEU 25 3HD1 LEU 25 5.355 -0.027 -3.436
232 HD21 LEU 25 31HD LEU 25 6.745 0.190 -0.271
233 HD22 LEU 25 1HD2 LEU 25 6.135 1.729 -0.878
234 HD23 LEU 25 2HD2 LEU 25 6.868 0.572 -1.989
235 H SER 26 H SER 26 1.234 -2.180 -0.957
236 HA SER 26 HA SER 26 -0.273 -0.752 -2.959
237 HB2 SER 26 2HB SER 26 1.992 -2.541 -3.723
238 HB3 SER 26 1HB SER 26 0.533 -2.557 -4.710
239 HG SER 26 HG SER 26 2.218 -0.962 -5.261
240 H PHE 27 H PHE 27 0.779 -4.131 -2.352
241 HA PHE 27 HA PHE 27 -1.958 -5.050 -2.680
242 HB2 PHE 27 2HB PHE 27 0.625 -6.472 -2.040
243 HB3 PHE 27 1HB PHE 27 -0.919 -7.292 -2.004
244 HD1 PHE 27 1HD PHE 27 0.568 -4.712 -4.288
245 HD2 PHE 27 2HD PHE 27 -1.202 -8.602 -3.913
246 HE1 PHE 27 1HE PHE 27 0.672 -4.990 -6.739
247 HE2 PHE 27 2HE PHE 27 -1.104 -8.881 -6.372
248 HZ PHE 27 HZ PHE 27 -0.166 -7.076 -7.789
249 H CYS 28 H CYS 28 0.427 -4.833 -0.062
250 HA CYS 28 HA CYS 28 -1.767 -5.234 1.873
251 HB2 CYS 28 2HB CYS 28 1.112 -5.470 2.652
252 HB3 CYS 28 1HB CYS 28 -0.299 -6.283 3.327
253 H ARG 29 H ARG 29 -1.747 -2.771 0.900
254 HA ARG 29 HA ARG 29 0.034 -0.975 2.240
255 HB2 ARG 29 2HB ARG 29 -2.179 0.539 1.537
256 HB3 ARG 29 1HB ARG 29 -0.742 0.289 0.554
257 HG2 ARG 29 2HG ARG 29 -2.707 -0.254 -0.769
258 HG3 ARG 29 1HG ARG 29 -1.823 -1.739 -0.441
259 HD2 ARG 29 2HD ARG 29 -4.509 -1.372 0.032
260 HD3 ARG 29 1HD ARG 29 -3.514 -2.595 0.816
261 HE ARG 29 HE ARG 29 -3.500 -1.285 2.765
262 HH11 ARG 29 1HH2 ARG 29 -5.017 0.313 0.095
263 HH12 ARG 29 2HH2 ARG 29 -5.605 1.637 1.046
264 HH21 ARG 29 1HH1 ARG 29 -4.230 0.468 4.006
265 HH22 ARG 29 2HH1 ARG 29 -5.158 1.724 3.262
266 H LYS 30 H LYS 30 -1.268 -2.834 3.998
267 HA LYS 30 HA LYS 30 -1.987 -1.101 6.121
268 HB2 LYS 30 2HB LYS 30 -4.370 -1.943 6.352
269 HB3 LYS 30 1HB LYS 30 -4.097 -0.780 5.058
270 HG2 LYS 30 2HG LYS 30 -5.025 -2.290 3.661
271 HG3 LYS 30 1HG LYS 30 -3.560 -3.247 3.873
272 HD2 LYS 30 2HD LYS 30 -4.539 -4.464 5.719
273 HD3 LYS 30 1HD LYS 30 -5.955 -3.412 5.718
274 HE2 LYS 30 2HE LYS 30 -6.360 -5.597 4.570
275 HE3 LYS 30 1HE LYS 30 -6.604 -4.203 3.518
276 HZ1 LYS 30 3HZ LYS 30 -3.904 -4.972 3.416
277 HZ2 LYS 30 1HZ LYS 30 -5.048 -4.963 2.164
278 HZ3 LYS 30 2HZ LYS 30 -4.868 -6.344 3.138
279 H THR 31 H THR 31 -2.579 -4.315 4.770
280 HA THR 31 HA THR 31 -2.835 -5.807 7.077
281 HB THR 31 HB THR 31 -1.207 -7.288 5.256
282 HG1 THR 31 1HG THR 31 -2.749 -5.289 4.155
283 HG21 THR 31 31HG THR 31 -3.102 -8.135 6.615
284 HG22 THR 31 1HG2 THR 31 -3.297 -8.519 4.905
285 HG23 THR 31 2HG2 THR 31 -4.215 -7.194 5.622
286 H CYS 32 H CYS 32 0.034 -4.404 5.657
287 HA CYS 32 HA CYS 32 1.725 -5.694 7.695
288 HB2 CYS 32 2HB CYS 32 2.284 -4.388 5.048
289 HB3 CYS 32 1HB CYS 32 3.566 -4.546 6.251
290 H GLY 33 H GLY 33 -0.211 -3.339 7.932
291 HA2 GLY 33 2HA GLY 33 -0.306 -1.313 9.019
292 HA3 GLY 33 1HA GLY 33 1.120 -1.875 9.888
293 H THR 34 H THR 34 0.847 -1.306 6.419
294 HA THR 34 HA THR 34 3.131 0.517 6.576
295 HB THR 34 HB THR 34 3.563 -0.865 4.802
296 HG1 THR 34 1HG THR 34 3.535 1.022 3.743
297 HG21 THR 34 31HG THR 34 0.568 -0.983 4.368
298 HG22 THR 34 1HG2 THR 34 1.604 -2.260 5.011
299 HG23 THR 34 2HG2 THR 34 1.749 -1.776 3.324
300 H CYS 35 H CYS 35 -0.140 0.493 5.137
301 HA CYS 35 HA CYS 35 -0.188 3.428 5.467
302 HB2 CYS 35 2HB CYS 35 0.177 3.070 3.123
303 HB3 CYS 35 1HB CYS 35 -1.081 1.837 3.058
304 HN1 NH2 36 H2 NH2 36 -3.174 2.765 7.206
305 HN2 NH2 36 H1 NH2 36 -1.594 3.381 7.280
Start of MODEL 20
1 HA PFX 0 HA PFX 0 6.187 12.266 -10.239
2 H1N PFX 0 H1N PFX 0 3.588 12.505 -8.827
3 H2N PFX 0 H2N PFX 0 3.992 11.342 -9.999
4 H3N PFX 0 H3N PFX 0 3.873 12.981 -10.429
5 H1B PFX 0 1HB PFX 0 5.154 14.240 -8.181
6 H2B PFX 0 2HB PFX 0 5.687 14.601 -9.824
7 HD1 PFX 0 HD1 PFX 0 6.673 14.688 -6.481
8 HD2 PFX 0 HD2 PFX 0 8.143 13.585 -10.358
9 HE1 PFX 0 HE1 PFX 0 8.999 14.950 -5.672
10 HE2 PFX 0 HE2 PFX 0 10.469 13.843 -9.551
11 HNH PFX 0 HNH PFX 0 4.093 11.518 -7.574
12 H11 PFX 0 1HNH PFX 0 6.232 10.004 -6.242
13 H21 PFX 0 2HNH PFX 0 4.504 9.831 -5.946
14 H12 PFX 0 1H2 PFX 0 4.676 12.298 -5.081
15 H22 PFX 0 2H2 PFX 0 6.395 11.936 -4.934
16 H14 PFX 0 1H4 PFX 0 3.797 12.242 -3.071
17 H24 PFX 0 2H4 PFX 0 3.802 10.758 -2.117
18 H15 PFX 0 1H5 PFX 0 2.854 10.943 -4.992
19 H25 PFX 0 2H5 PFX 0 1.787 10.966 -3.590
20 H17 PFX 0 1H7 PFX 0 2.095 7.694 -5.269
21 H27 PFX 0 2H7 PFX 0 1.415 9.300 -5.527
22 H ARG 1 H ARG 1 -0.104 6.992 -5.398
23 HA ARG 1 HA ARG 1 -1.504 7.025 -2.842
24 HB2 ARG 1 2HB ARG 1 -1.859 5.580 -5.446
25 HB3 ARG 1 1HB ARG 1 -2.649 4.973 -3.990
26 HG2 ARG 1 2HG ARG 1 -3.590 7.284 -3.632
27 HG3 ARG 1 1HG ARG 1 -2.954 7.726 -5.217
28 HD2 ARG 1 2HD ARG 1 -5.081 5.691 -4.556
29 HD3 ARG 1 1HD ARG 1 -5.204 7.087 -5.623
30 HE ARG 1 HE ARG 1 -4.184 4.489 -6.317
31 HH11 ARG 1 1HH2 ARG 1 -3.966 7.893 -6.927
32 HH12 ARG 1 2HH2 ARG 1 -3.387 7.702 -8.549
33 HH21 ARG 1 1HH1 ARG 1 -3.430 4.236 -8.439
34 HH22 ARG 1 2HH1 ARG 1 -3.081 5.631 -9.404
35 H SER 2 H SER 2 -1.740 5.098 -1.546
36 HA SER 2 HA SER 2 -0.210 2.765 -1.824
37 HB2 SER 2 2HB SER 2 1.592 3.171 -0.201
38 HB3 SER 2 1HB SER 2 1.728 4.269 -1.571
39 HG SER 2 HG SER 2 0.838 4.768 1.058
40 H CYS 3 H CYS 3 -2.781 3.237 -1.062
41 HA CYS 3 HA CYS 3 -2.803 2.141 1.648
42 HB2 CYS 3 2HB CYS 3 -3.231 4.848 1.309
43 HB3 CYS 3 1HB CYS 3 -4.866 4.193 1.313
44 H ILE 4 H ILE 4 -3.463 1.358 -1.213
45 HA ILE 4 HA ILE 4 -6.137 0.281 -0.617
46 HB ILE 4 HB ILE 4 -5.807 0.843 -3.453
47 HG12 ILE 4 2HG1 ILE 4 -4.534 2.794 -2.400
48 HG13 ILE 4 1HG1 ILE 4 -5.911 3.234 -3.406
49 HG21 ILE 4 1HG2 ILE 4 -8.049 1.977 -2.980
50 HG22 ILE 4 2HG2 ILE 4 -7.847 1.456 -1.308
51 HG23 ILE 4 31HG ILE 4 -7.952 0.258 -2.597
52 HD11 ILE 4 3HD1 ILE 4 -6.718 2.770 -0.648
53 HD12 ILE 4 1HD1 ILE 4 -6.994 4.178 -1.672
54 HD13 ILE 4 2HD1 ILE 4 -5.490 4.029 -0.768
55 H ASP 5 H ASP 5 -6.488 -1.782 -1.318
56 HA ASP 5 HA ASP 5 -4.190 -3.126 -2.613
57 HB2 ASP 5 2HB ASP 5 -5.190 -5.203 -1.501
58 HB3 ASP 5 1HB ASP 5 -4.420 -4.029 -0.437
59 H THR 6 H THR 6 -4.784 -5.071 -3.907
60 HA THR 6 HA THR 6 -7.470 -4.934 -5.100
61 HB THR 6 HB THR 6 -6.290 -3.599 -6.650
62 HG1 THR 6 1HG THR 6 -6.236 -4.916 -8.451
63 HG21 THR 6 31HG THR 6 -4.040 -5.453 -5.997
64 HG22 THR 6 1HG2 THR 6 -4.040 -3.696 -6.140
65 HG23 THR 6 2HG2 THR 6 -4.058 -4.699 -7.591
66 H ILE 7 H ILE 7 -5.361 -6.776 -3.540
67 HA ILE 7 HA ILE 7 -6.265 -9.225 -4.908
68 HB ILE 7 HB ILE 7 -3.998 -10.230 -4.472
69 HG12 ILE 7 2HG1 ILE 7 -2.349 -8.019 -4.469
70 HG13 ILE 7 1HG1 ILE 7 -3.620 -7.545 -3.344
71 HG21 ILE 7 1HG2 ILE 7 -3.045 -9.366 -6.470
72 HG22 ILE 7 2HG2 ILE 7 -3.814 -7.796 -6.247
73 HG23 ILE 7 31HG ILE 7 -4.787 -9.200 -6.685
74 HD11 ILE 7 3HD1 ILE 7 -1.612 -9.740 -3.123
75 HD12 ILE 7 1HD1 ILE 7 -3.216 -10.047 -2.456
76 HD13 ILE 7 2HD1 ILE 7 -2.264 -8.686 -1.870
77 HA PRO 8 HA PRO 8 -7.504 -10.640 -0.953
78 HB2 PRO 8 2HB PRO 8 -6.436 -13.253 -1.106
79 HB3 PRO 8 1HB PRO 8 -8.061 -12.744 -1.592
80 HG2 PRO 8 2HG PRO 8 -5.666 -13.238 -3.242
81 HG3 PRO 8 1HG PRO 8 -7.382 -13.401 -3.652
82 HD2 PRO 8 2HD PRO 8 -5.856 -11.351 -4.578
83 HD3 PRO 8 1HD PRO 8 -7.593 -11.168 -4.245
84 H LYS 9 H LYS 9 -6.708 -10.768 1.108
85 HA LYS 9 HA LYS 9 -3.997 -10.057 1.570
86 HB2 LYS 9 2HB LYS 9 -5.786 -9.349 3.064
87 HB3 LYS 9 1HB LYS 9 -6.152 -11.024 3.466
88 HG2 LYS 9 2HG LYS 9 -3.381 -9.921 3.884
89 HG3 LYS 9 1HG LYS 9 -4.643 -9.646 5.083
90 HD2 LYS 9 2HD LYS 9 -4.764 -12.400 4.374
91 HD3 LYS 9 1HD LYS 9 -3.067 -12.018 4.641
92 HE2 LYS 9 2HE LYS 9 -4.110 -10.766 6.788
93 HE3 LYS 9 1HE LYS 9 -5.333 -12.020 6.572
94 HZ1 LYS 9 3HZ LYS 9 -2.654 -12.243 7.522
95 HZ2 LYS 9 1HZ LYS 9 -2.943 -13.302 6.229
96 HZ3 LYS 9 2HZ LYS 9 -3.928 -13.364 7.613
97 H SER 10 H SER 10 -5.695 -13.080 1.390
98 HA SER 10 HA SER 10 -4.160 -14.811 2.884
99 HB2 SER 10 2HB SER 10 -4.764 -16.540 1.199
100 HB3 SER 10 1HB SER 10 -6.138 -15.559 1.700
101 HG SER 10 HG SER 10 -5.105 -14.262 -0.284
102 H ARG 11 H ARG 11 -3.474 -13.572 -0.371
103 HA ARG 11 HA ARG 11 -1.050 -15.083 -0.654
104 HB2 ARG 11 2HB ARG 11 -2.697 -13.336 -2.276
105 HB3 ARG 11 1HB ARG 11 -0.990 -12.927 -2.443
106 HG2 ARG 11 2HG ARG 11 -1.499 -14.620 -4.084
107 HG3 ARG 11 1HG ARG 11 -0.525 -15.371 -2.821
108 HD2 ARG 11 2HD ARG 11 -3.156 -15.646 -1.921
109 HD3 ARG 11 1HD ARG 11 -3.248 -15.978 -3.648
110 HE ARG 11 HE ARG 11 -2.279 -17.775 -1.769
111 HH11 ARG 11 1HH2 ARG 11 -1.169 -16.212 -4.652
112 HH12 ARG 11 2HH2 ARG 11 -0.125 -17.511 -5.121
113 HH21 ARG 11 1HH1 ARG 11 -0.910 -19.485 -2.379
114 HH22 ARG 11 2HH1 ARG 11 0.022 -19.364 -3.834
115 H CYS 12 H CYS 12 -1.760 -12.660 1.388
116 HA CYS 12 HA CYS 12 0.783 -11.236 1.023
117 HB2 CYS 12 2HB CYS 12 -1.330 -9.914 1.277
118 HB3 CYS 12 1HB CYS 12 -1.480 -10.562 2.912
119 H THR 13 H THR 13 2.277 -12.656 1.874
120 HA THR 13 HA THR 13 1.895 -13.457 4.692
121 HB THR 13 HB THR 13 3.226 -15.319 4.300
122 HG1 THR 13 1HG THR 13 4.296 -14.876 1.904
123 HG21 THR 13 31HG THR 13 2.311 -16.405 2.423
124 HG22 THR 13 1HG2 THR 13 2.255 -14.917 1.478
125 HG23 THR 13 2HG2 THR 13 1.115 -15.165 2.801
126 H ALA 14 H ALA 14 3.572 -13.106 6.193
127 HA ALA 14 HA ALA 14 4.882 -10.661 6.094
128 HB1 ALA 14 1HB ALA 14 6.378 -11.659 7.900
129 HB2 ALA 14 2HB ALA 14 5.487 -13.165 7.671
130 HB3 ALA 14 3HB ALA 14 4.643 -11.715 8.215
131 H PHE 15 H PHE 15 5.483 -13.279 4.183
132 HA PHE 15 HA PHE 15 8.371 -12.818 3.957
133 HB2 PHE 15 2HB PHE 15 8.377 -15.033 3.593
134 HB3 PHE 15 1HB PHE 15 6.617 -15.069 3.550
135 HD1 PHE 15 1HD PHE 15 9.367 -13.737 1.365
136 HD2 PHE 15 2HD PHE 15 5.720 -15.988 1.612
137 HE1 PHE 15 1HE PHE 15 9.444 -14.121 -1.082
138 HE2 PHE 15 2HE PHE 15 5.795 -16.375 -0.837
139 HZ PHE 15 HZ PHE 15 7.658 -15.442 -2.183
140 H GLN 16 H GLN 16 5.368 -12.586 2.098
141 HA GLN 16 HA GLN 16 6.622 -11.691 -0.316
142 HB2 GLN 16 2HB GLN 16 3.785 -11.670 0.708
143 HB3 GLN 16 1HB GLN 16 4.222 -10.937 -0.835
144 HG2 GLN 16 2HG GLN 16 4.955 -13.783 -0.125
145 HG3 GLN 16 1HG GLN 16 3.449 -13.367 -0.941
146 HE21 GLN 16 1HE2 GLN 16 3.591 -12.511 -3.146
147 HE22 GLN 16 2HE2 GLN 16 5.017 -12.669 -4.054
148 H CYS 17 H CYS 17 5.312 -10.143 2.544
149 HA CYS 17 HA CYS 17 5.354 -7.473 1.484
150 HB2 CYS 17 2HB CYS 17 3.859 -7.772 3.266
151 HB3 CYS 17 1HB CYS 17 5.029 -8.677 4.225
152 H LYS 18 H LYS 18 7.818 -9.531 2.063
153 HA LYS 18 HA LYS 18 9.650 -7.354 2.875
154 HB2 LYS 18 2HB LYS 18 9.714 -10.302 3.515
155 HB3 LYS 18 1HB LYS 18 11.128 -9.263 3.690
156 HG2 LYS 18 2HG LYS 18 9.744 -7.747 5.147
157 HG3 LYS 18 1HG LYS 18 8.459 -8.954 5.086
158 HD2 LYS 18 2HD LYS 18 9.607 -9.510 7.063
159 HD3 LYS 18 1HD LYS 18 10.298 -10.619 5.878
160 HE2 LYS 18 2HE LYS 18 11.913 -8.431 5.568
161 HE3 LYS 18 1HE LYS 18 11.557 -8.355 7.294
162 HZ1 LYS 18 3HZ LYS 18 13.367 -10.018 6.028
163 HZ2 LYS 18 1HZ LYS 18 12.087 -11.021 6.511
164 HZ3 LYS 18 2HZ LYS 18 12.893 -10.065 7.659
165 H HIS 19 H HIS 19 9.166 -10.212 0.865
166 HA HIS 19 HA HIS 19 11.657 -9.804 -0.574
167 HB2 HIS 19 2HB HIS 19 9.367 -11.728 -1.026
168 HB3 HIS 19 1HB HIS 19 10.902 -11.753 -1.894
169 HD1 HIS 19 1HD HIS 19 10.257 -11.280 1.836
170 HD2 HIS 19 2HD HIS 19 12.247 -13.883 -0.743
171 HE1 HIS 19 1HE HIS 19 11.499 -12.930 3.301
172 HE2 HIS 19 2HE HIS 19 12.718 -14.523 1.744
173 H SER 20 H SER 20 8.498 -8.597 -0.733
174 HA SER 20 HA SER 20 8.886 -7.807 -3.556
175 HB2 SER 20 2HB SER 20 6.254 -8.068 -2.100
176 HB3 SER 20 1HB SER 20 6.495 -7.768 -3.818
177 HG SER 20 HG SER 20 7.472 -10.057 -2.454
178 H NLE 21 H NLE 21 8.327 -5.682 -4.139
179 HA NLE 21 HA NLE 21 8.346 -3.793 -1.876
180 HB2 NLE 21 1HB NLE 21 8.787 -2.505 -4.401
181 HB3 NLE 21 2HB NLE 21 9.846 -3.909 -4.283
182 HG2 NLE 21 1HG NLE 21 9.559 -1.817 -2.107
183 HG3 NLE 21 2HG NLE 21 10.840 -1.805 -3.319
184 HD2 NLE 21 1HD NLE 21 10.624 -4.427 -2.109
185 HD3 NLE 21 2HD NLE 21 10.829 -3.195 -0.864
186 HE1 NLE 21 3HE NLE 21 12.984 -4.157 -1.845
187 HE2 NLE 21 1HE NLE 21 12.854 -2.398 -1.860
188 HE3 NLE 21 2HE NLE 21 12.568 -3.316 -3.339
189 H LYS 22 H LYS 22 6.449 -4.966 -4.490
190 HA LYS 22 HA LYS 22 4.670 -2.640 -4.384
191 HB2 LYS 22 2HB LYS 22 3.622 -4.725 -6.048
192 HB3 LYS 22 1HB LYS 22 4.192 -3.127 -6.516
193 HG2 LYS 22 2HG LYS 22 5.655 -4.440 -7.732
194 HG3 LYS 22 1HG LYS 22 6.584 -4.286 -6.243
195 HD2 LYS 22 2HD LYS 22 5.349 -6.415 -5.472
196 HD3 LYS 22 1HD LYS 22 4.883 -6.606 -7.161
197 HE2 LYS 22 2HE LYS 22 7.654 -6.629 -5.965
198 HE3 LYS 22 1HE LYS 22 6.883 -7.857 -6.970
199 HZ1 LYS 22 3HZ LYS 22 8.578 -6.322 -8.059
200 HZ2 LYS 22 1HZ LYS 22 7.376 -5.129 -7.986
201 HZ3 LYS 22 2HZ LYS 22 7.101 -6.556 -8.866
202 H TYR 23 H TYR 23 4.948 -4.184 -2.056
203 HA TYR 23 HA TYR 23 2.251 -5.398 -1.833
204 HB2 TYR 23 2HB TYR 23 4.900 -6.283 -0.713
205 HB3 TYR 23 1HB TYR 23 3.401 -6.697 0.115
206 HD1 TYR 23 2HD TYR 23 4.684 -6.611 -3.411
207 HD2 TYR 23 1HD TYR 23 2.488 -8.764 -0.417
208 HE1 TYR 23 2HE TYR 23 4.321 -8.466 -5.015
209 HE2 TYR 23 1HE TYR 23 2.124 -10.622 -2.021
210 HH TYR 23 HH TYR 23 3.679 -10.638 -5.189
211 H ARG 24 H ARG 24 4.907 -3.823 -0.063
212 HA ARG 24 HA ARG 24 3.389 -3.165 2.247
213 HB2 ARG 24 2HB ARG 24 5.918 -1.940 1.128
214 HB3 ARG 24 1HB ARG 24 5.259 -1.589 2.724
215 HG2 ARG 24 2HG ARG 24 5.337 -4.106 3.151
216 HG3 ARG 24 1HG ARG 24 6.317 -4.222 1.690
217 HD2 ARG 24 2HD ARG 24 6.953 -2.713 4.231
218 HD3 ARG 24 1HD ARG 24 7.863 -4.033 3.503
219 HE ARG 24 HE ARG 24 8.089 -1.262 2.841
220 HH11 ARG 24 1HH2 ARG 24 8.113 -4.462 1.530
221 HH12 ARG 24 2HH2 ARG 24 9.162 -4.065 0.212
222 HH21 ARG 24 1HH1 ARG 24 9.473 -0.732 1.116
223 HH22 ARG 24 2HH1 ARG 24 9.939 -1.955 -0.019
224 H LEU 25 H LEU 25 3.636 -1.675 -0.889
225 HA LEU 25 HA LEU 25 1.919 0.522 0.087
226 HB2 LEU 25 2HB LEU 25 3.188 2.000 -1.568
227 HB3 LEU 25 1HB LEU 25 4.021 1.583 -0.071
228 HG LEU 25 HG LEU 25 4.382 -0.323 -2.311
229 HD11 LEU 25 1HD1 LEU 25 5.321 2.539 -2.397
230 HD12 LEU 25 2HD1 LEU 25 4.632 1.562 -3.696
231 HD13 LEU 25 3HD1 LEU 25 6.280 1.259 -3.142
232 HD21 LEU 25 31HD LEU 25 6.379 -0.733 -1.239
233 HD22 LEU 25 1HD2 LEU 25 5.488 -0.051 0.121
234 HD23 LEU 25 2HD2 LEU 25 6.606 0.958 -0.793
235 H SER 26 H SER 26 1.093 -1.851 -1.277
236 HA SER 26 HA SER 26 -0.295 -0.631 -3.491
237 HB2 SER 26 2HB SER 26 1.276 -3.088 -4.156
238 HB3 SER 26 1HB SER 26 0.582 -1.887 -5.227
239 HG SER 26 HG SER 26 3.024 -1.969 -4.099
240 H PHE 27 H PHE 27 0.648 -3.939 -2.650
241 HA PHE 27 HA PHE 27 -2.173 -4.731 -2.650
242 HB2 PHE 27 2HB PHE 27 0.179 -6.565 -2.238
243 HB3 PHE 27 1HB PHE 27 -1.415 -6.947 -2.864
244 HD1 PHE 27 1HD PHE 27 -1.628 -4.460 -4.707
245 HD2 PHE 27 2HD PHE 27 1.447 -7.403 -4.112
246 HE1 PHE 27 1HE PHE 27 -0.807 -4.069 -7.010
247 HE2 PHE 27 2HE PHE 27 2.265 -7.008 -6.418
248 HZ PHE 27 HZ PHE 27 1.140 -5.341 -7.866
249 H CYS 28 H CYS 28 0.687 -5.138 -0.557
250 HA CYS 28 HA CYS 28 -1.095 -5.674 1.712
251 HB2 CYS 28 2HB CYS 28 1.923 -5.828 1.483
252 HB3 CYS 28 1HB CYS 28 0.983 -6.276 2.904
253 H ARG 29 H ARG 29 -1.433 -3.142 0.905
254 HA ARG 29 HA ARG 29 0.379 -1.341 2.234
255 HB2 ARG 29 2HB ARG 29 -1.869 0.147 1.711
256 HB3 ARG 29 1HB ARG 29 -0.502 -0.045 0.621
257 HG2 ARG 29 2HG ARG 29 -2.551 -0.533 -0.589
258 HG3 ARG 29 1HG ARG 29 -1.648 -2.031 -0.390
259 HD2 ARG 29 2HD ARG 29 -4.260 -1.844 0.194
260 HD3 ARG 29 1HD ARG 29 -3.182 -2.918 1.073
261 HE ARG 29 HE ARG 29 -2.975 -1.037 2.728
262 HH11 ARG 29 1HH2 ARG 29 -5.726 -1.267 0.621
263 HH12 ARG 29 2HH2 ARG 29 -6.771 -0.405 1.696
264 HH21 ARG 29 1HH1 ARG 29 -4.343 0.074 4.117
265 HH22 ARG 29 2HH1 ARG 29 -5.994 0.349 3.669
266 H LYS 30 H LYS 30 -1.314 -3.469 3.703
267 HA LYS 30 HA LYS 30 -2.069 -1.696 5.912
268 HB2 LYS 30 2HB LYS 30 -4.279 -2.809 6.129
269 HB3 LYS 30 1HB LYS 30 -4.136 -1.888 4.632
270 HG2 LYS 30 2HG LYS 30 -3.341 -4.100 3.568
271 HG3 LYS 30 1HG LYS 30 -3.983 -4.878 5.015
272 HD2 LYS 30 2HD LYS 30 -6.109 -3.370 4.429
273 HD3 LYS 30 1HD LYS 30 -5.437 -3.495 2.802
274 HE2 LYS 30 2HE LYS 30 -6.180 -5.787 4.641
275 HE3 LYS 30 1HE LYS 30 -6.974 -5.343 3.130
276 HZ1 LYS 30 3HZ LYS 30 -5.424 -6.380 1.938
277 HZ2 LYS 30 1HZ LYS 30 -4.954 -7.132 3.384
278 HZ3 LYS 30 2HZ LYS 30 -4.146 -5.735 2.852
279 H THR 31 H THR 31 -2.032 -5.031 4.727
280 HA THR 31 HA THR 31 -2.137 -6.442 7.069
281 HB THR 31 HB THR 31 -0.832 -6.901 4.431
282 HG1 THR 31 1HG THR 31 -2.598 -7.991 4.277
283 HG21 THR 31 31HG THR 31 0.894 -7.828 5.733
284 HG22 THR 31 1HG2 THR 31 -0.157 -9.201 5.391
285 HG23 THR 31 2HG2 THR 31 -0.226 -8.408 6.964
286 H CYS 32 H CYS 32 0.859 -5.304 5.491
287 HA CYS 32 HA CYS 32 2.493 -5.976 7.743
288 HB2 CYS 32 2HB CYS 32 2.876 -4.925 5.068
289 HB3 CYS 32 1HB CYS 32 3.850 -4.041 6.243
290 H GLY 33 H GLY 33 0.101 -4.069 7.940
291 HA2 GLY 33 2HA GLY 33 -0.456 -2.113 9.034
292 HA3 GLY 33 1HA GLY 33 0.898 -2.529 10.083
293 H THR 34 H THR 34 0.996 -1.705 6.640
294 HA THR 34 HA THR 34 3.021 0.315 7.215
295 HB THR 34 HB THR 34 3.389 -1.228 5.357
296 HG1 THR 34 1HG THR 34 4.307 0.726 5.025
297 HG21 THR 34 31HG THR 34 0.695 -1.011 4.925
298 HG22 THR 34 1HG2 THR 34 1.844 -1.687 3.771
299 HG23 THR 34 2HG2 THR 34 1.345 0.000 3.633
300 H CYS 35 H CYS 35 -0.265 0.165 5.875
301 HA CYS 35 HA CYS 35 -0.329 3.122 5.922
302 HB2 CYS 35 2HB CYS 35 -0.808 1.616 3.762
303 HB3 CYS 35 1HB CYS 35 -2.423 1.591 4.471
304 HN1 NH2 36 H2 NH2 36 -3.700 2.995 7.435
305 HN2 NH2 36 H1 NH2 36 -3.005 3.650 6.030