Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
636303 | 6gft RC | 34267 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 H1 AMN 0 23.736 4.918 0.304
2 H2 GLU 1 H2 AMN 0 24.186 3.592 1.175
3 H3 GLU 1 H3 AMN 0 25.335 4.604 0.562
4 HA GLU 1 HA GLU 1 24.736 4.062 -1.655
5 HB2 GLU 1 HB3 GLU 1 26.508 2.786 -0.499
6 HB3 GLU 1 HB2 GLU 1 25.311 1.613 0.057
7 HG2 GLU 1 HG3 GLU 1 26.560 0.807 -1.917
8 HG3 GLU 1 HG2 GLU 1 24.837 0.936 -2.251
9 H CYS 2 H CYS 2 23.122 3.681 -2.968
10 HA CYS 2 HA CYS 2 20.547 2.894 -2.107
11 HB2 CYS 2 HB3 CYS 2 19.930 3.096 -4.423
12 HB3 CYS 2 HB2 CYS 2 21.025 4.394 -3.990
13 H LYS 3 H LYS 3 19.322 1.050 -2.517
14 HA LYS 3 HA LYS 3 20.788 -1.465 -2.381
15 HB2 LYS 3 HB3 LYS 3 17.868 -0.651 -2.229
16 HB3 LYS 3 HB2 LYS 3 18.352 -2.348 -2.285
17 HG2 LYS 3 HG3 LYS 3 19.414 -0.413 -0.187
18 HG3 LYS 3 HG2 LYS 3 17.935 -1.358 0.017
19 HD2 LYS 3 HD3 LYS 3 19.192 -3.458 -0.248
20 HD3 LYS 3 HD2 LYS 3 20.704 -2.545 -0.456
21 HE2 LYS 3 HE3 LYS 3 20.437 -1.562 1.786
22 HE3 LYS 3 HE2 LYS 3 18.904 -2.428 1.997
23 HZ1 LYS 3 HZ1 LYS 3 20.709 -3.562 3.048
24 HZ2 LYS 3 HZ2 LYS 3 21.534 -3.674 1.624
25 HZ3 LYS 3 HZ3 LYS 3 20.107 -4.479 1.816
26 H GLY 4 H GLY 4 21.436 -2.554 -4.099
27 HA2 GLY 4 HA2 GLY 4 20.595 -1.981 -6.794
28 HA3 GLY 4 HA3 GLY 4 21.708 -3.243 -6.249
29 H PHE 5 H PHE 5 20.264 -4.130 -8.204
30 HA PHE 5 HA PHE 5 17.629 -4.871 -7.879
31 HB2 PHE 5 HB3 PHE 5 18.838 -4.675 -9.991
32 HB3 PHE 5 HB2 PHE 5 19.946 -5.959 -9.526
33 HD1 PHE 5 HD1 PHE 5 16.208 -5.453 -9.666
34 HD2 PHE 5 HD2 PHE 5 19.569 -8.020 -10.539
35 HE1 PHE 5 HE1 PHE 5 14.662 -7.182 -10.550
36 HE2 PHE 5 HE2 PHE 5 18.016 -9.729 -11.447
37 HZ PHE 5 HZ PHE 5 15.575 -9.303 -11.438
38 H GLY 6 H GLY 6 16.671 -6.347 -6.682
39 HA2 GLY 6 HA2 GLY 6 16.179 -8.270 -5.608
40 HA3 GLY 6 HA3 GLY 6 17.655 -9.009 -6.244
41 H LYS 7 H LYS 7 17.433 -6.025 -4.252
42 HA LYS 7 HA LYS 7 18.610 -7.468 -1.930
43 HB2 LYS 7 HB3 LYS 7 19.316 -4.657 -2.846
44 HB3 LYS 7 HB2 LYS 7 19.915 -5.502 -1.417
45 HG2 LYS 7 HG3 LYS 7 20.862 -7.292 -2.954
46 HG3 LYS 7 HG2 LYS 7 20.431 -6.247 -4.323
47 HD2 LYS 7 HD3 LYS 7 21.844 -4.424 -3.285
48 HD3 LYS 7 HD2 LYS 7 22.306 -5.573 -2.018
49 HE2 LYS 7 HE3 LYS 7 24.076 -5.569 -3.655
50 HE3 LYS 7 HE2 LYS 7 23.208 -7.105 -3.800
51 HZ1 LYS 7 HZ1 LYS 7 22.027 -6.185 -5.664
52 HZ2 LYS 7 HZ2 LYS 7 23.655 -6.128 -5.925
53 HZ3 LYS 7 HZ3 LYS 7 22.835 -4.755 -5.523
54 H SER 8 H SER 8 17.856 -6.984 0.017
55 HA SER 8 HA SER 8 15.120 -6.344 0.163
56 HB2 SER 8 HB3 SER 8 17.215 -6.671 2.346
57 HB3 SER 8 HB2 SER 8 15.464 -6.590 2.624
58 HG SER 8 HG SER 8 15.248 -8.416 1.264
59 H CYS 9 H CYS 9 14.169 -4.439 0.097
60 HA CYS 9 HA CYS 9 15.645 -1.967 0.455
61 HB2 CYS 9 HB3 CYS 9 13.724 -0.899 -0.401
62 HB3 CYS 9 HB2 CYS 9 13.910 -2.368 -1.319
63 H VAL 10 H VAL 10 14.656 -0.184 1.601
64 HA VAL 10 HA VAL 10 13.457 -0.608 4.250
65 HB VAL 10 HB VAL 10 14.162 1.798 2.529
66 HG11 VAL 10 HG11 VAL 10 12.066 2.430 3.583
67 HG12 VAL 10 HG12 VAL 10 13.385 3.228 4.437
68 HG13 VAL 10 HG13 VAL 10 12.611 1.793 5.152
69 HG21 VAL 10 HG21 VAL 10 15.659 2.347 4.389
70 HG22 VAL 10 HG22 VAL 10 15.996 0.703 3.820
71 HG23 VAL 10 HG23 VAL 10 15.068 0.945 5.314
72 HA PRO 11 HA PRO 11 9.498 -1.022 1.966
73 HB2 PRO 11 HB3 PRO 11 8.395 -0.797 4.760
74 HB3 PRO 11 HB2 PRO 11 7.982 -1.952 3.458
75 HG2 PRO 11 HG3 PRO 11 9.568 -2.690 5.528
76 HG3 PRO 11 HG2 PRO 11 9.959 -3.219 3.858
77 HD2 PRO 11 HD3 PRO 11 11.147 -0.907 5.423
78 HD3 PRO 11 HD2 PRO 11 11.976 -2.173 4.469
79 H GLY 12 H GLY 12 9.507 0.865 0.925
80 HA2 GLY 12 HA2 GLY 12 7.799 2.979 1.292
81 HA3 GLY 12 HA3 GLY 12 9.271 3.461 2.153
82 H LYS 13 H LYS 13 10.528 1.512 -0.168
83 HA LYS 13 HA LYS 13 11.676 1.737 -2.001
84 HB2 LYS 13 HB3 LYS 13 9.691 3.869 -2.902
85 HB3 LYS 13 HB2 LYS 13 10.822 2.986 -3.925
86 HG2 LYS 13 HG3 LYS 13 9.652 0.891 -3.535
87 HG3 LYS 13 HG2 LYS 13 8.554 1.655 -2.372
88 HD2 LYS 13 HD3 LYS 13 7.649 3.119 -4.115
89 HD3 LYS 13 HD2 LYS 13 8.765 2.425 -5.309
90 HE2 LYS 13 HE3 LYS 13 7.743 0.201 -4.982
91 HE3 LYS 13 HE2 LYS 13 6.655 0.867 -3.749
92 HZ1 LYS 13 HZ1 LYS 13 6.728 1.651 -6.576
93 HZ2 LYS 13 HZ2 LYS 13 5.717 2.274 -5.432
94 HZ3 LYS 13 HZ3 LYS 13 5.591 0.688 -5.868
95 H ASN 14 H ASN 14 12.244 3.246 0.384
96 HA ASN 14 HA ASN 14 13.141 5.867 -0.280
97 HB2 ASN 14 HB3 ASN 14 12.362 5.160 1.969
98 HB3 ASN 14 HB2 ASN 14 13.781 4.126 2.137
99 HD21 ASN 14 HD21 ASN 14 15.437 5.017 3.279
100 HD22 ASN 14 HD22 ASN 14 15.748 6.731 3.443
101 H GLU 15 H GLU 15 14.567 2.736 -0.729
102 HA GLU 15 HA GLU 15 17.329 3.866 -0.733
103 HB2 GLU 15 HB3 GLU 15 16.318 1.098 -0.033
104 HB3 GLU 15 HB2 GLU 15 18.018 1.493 -0.279
105 HG2 GLU 15 HG3 GLU 15 16.236 2.782 1.824
106 HG3 GLU 15 HG2 GLU 15 17.419 1.501 2.107
107 H CYS 16 H CYS 16 15.114 1.776 -2.670
108 HA CYS 16 HA CYS 16 17.056 0.530 -4.186
109 HB2 CYS 16 HB3 CYS 16 14.271 1.350 -5.053
110 HB3 CYS 16 HB2 CYS 16 15.301 0.172 -5.864
111 H CYS 17 H CYS 17 18.269 0.940 -5.948
112 HA CYS 17 HA CYS 17 19.053 3.574 -6.528
113 HB2 CYS 17 HB3 CYS 17 19.536 1.076 -8.186
114 HB3 CYS 17 HB2 CYS 17 20.460 2.558 -8.259
115 H SER 18 H SER 18 19.377 4.328 -8.873
116 HA SER 18 HA SER 18 16.878 4.969 -10.077
117 HB2 SER 18 HB3 SER 18 18.280 5.997 -11.840
118 HB3 SER 18 HB2 SER 18 18.715 6.499 -10.200
119 HG SER 18 HG SER 18 20.053 4.534 -11.748
120 H GLY 19 H GLY 19 15.641 3.564 -11.040
121 HA2 GLY 19 HA2 GLY 19 15.067 2.402 -13.049
122 HA3 GLY 19 HA3 GLY 19 16.685 1.695 -13.111
123 H LEU 20 H LEU 20 15.050 1.938 -10.022
124 HA LEU 20 HA LEU 20 14.076 -0.853 -10.052
125 HB2 LEU 20 HB3 LEU 20 15.912 0.374 -7.962
126 HB3 LEU 20 HB2 LEU 20 15.100 -1.176 -7.800
127 HG LEU 20 HG LEU 20 17.148 -0.573 -9.966
128 HD11 LEU 20 HD11 LEU 20 17.542 -2.084 -7.357
129 HD12 LEU 20 HD12 LEU 20 18.090 -0.430 -7.658
130 HD13 LEU 20 HD13 LEU 20 18.761 -1.761 -8.614
131 HD21 LEU 20 HD21 LEU 20 17.254 -3.032 -10.185
132 HD22 LEU 20 HD22 LEU 20 15.624 -2.453 -10.504
133 HD23 LEU 20 HD23 LEU 20 15.989 -3.209 -8.944
134 H THR 21 H THR 21 12.722 -1.300 -8.207
135 HA THR 21 HA THR 21 11.554 0.822 -6.640
136 HB THR 21 HB THR 21 10.411 1.263 -8.756
137 HG1 THR 21 HG1 THR 21 8.305 1.024 -7.953
138 HG21 THR 21 HG21 THR 21 10.481 -0.992 -9.833
139 HG22 THR 21 HG22 THR 21 8.867 -0.274 -9.826
140 HG23 THR 21 HG23 THR 21 9.258 -1.562 -8.676
141 H CYS 22 H CYS 22 10.880 -0.074 -4.741
142 HA CYS 22 HA CYS 22 11.395 -2.855 -4.396
143 HB2 CYS 22 HB3 CYS 22 11.819 -1.058 -2.689
144 HB3 CYS 22 HB2 CYS 22 10.083 -1.074 -2.335
145 H SER 23 H SER 23 10.138 -4.516 -4.651
146 HA SER 23 HA SER 23 7.441 -4.617 -5.367
147 HB2 SER 23 HB3 SER 23 9.231 -6.375 -5.615
148 HB3 SER 23 HB2 SER 23 9.122 -6.682 -3.881
149 HG SER 23 HG SER 23 7.013 -6.936 -5.770
150 H ASN 24 H ASN 24 5.545 -4.875 -4.218
151 HA ASN 24 HA ASN 24 5.369 -4.276 -1.403
152 HB2 ASN 24 HB3 ASN 24 3.580 -3.702 -2.960
153 HB3 ASN 24 HB2 ASN 24 3.363 -5.394 -3.409
154 HD21 ASN 24 HD21 ASN 24 1.815 -6.528 -2.297
155 HD22 ASN 24 HD22 ASN 24 1.130 -6.055 -0.759
156 H LYS 25 H LYS 25 5.051 -7.287 -3.376
157 HA LYS 25 HA LYS 25 4.452 -9.000 -1.190
158 HB2 LYS 25 HB3 LYS 25 3.830 -9.400 -3.552
159 HB3 LYS 25 HB2 LYS 25 5.529 -9.645 -3.968
160 HG2 LYS 25 HG3 LYS 25 5.595 -11.602 -2.375
161 HG3 LYS 25 HG2 LYS 25 3.880 -11.328 -2.019
162 HD2 LYS 25 HD3 LYS 25 3.316 -11.744 -4.396
163 HD3 LYS 25 HD2 LYS 25 5.040 -11.972 -4.771
164 HE2 LYS 25 HE3 LYS 25 5.129 -13.877 -3.188
165 HE3 LYS 25 HE2 LYS 25 3.405 -13.658 -2.828
166 HZ1 LYS 25 HZ1 LYS 25 3.765 -15.365 -4.444
167 HZ2 LYS 25 HZ2 LYS 25 4.538 -14.315 -5.455
168 HZ3 LYS 25 HZ3 LYS 25 2.936 -14.111 -5.123
169 H HIS 26 H HIS 26 7.472 -8.780 -3.182
170 HA HIS 26 HA HIS 26 8.870 -10.640 -1.519
171 HB2 HIS 26 HB3 HIS 26 9.817 -8.802 -3.745
172 HB3 HIS 26 HB2 HIS 26 10.786 -10.071 -3.003
173 HD1 HIS 26 HD1 HIS 26 7.446 -9.837 -4.988
174 HD2 HIS 26 HD2 HIS 26 10.666 -12.399 -4.144
175 HE1 HIS 26 HE1 HIS 26 7.133 -11.910 -6.444
176 H LYS 27 H LYS 27 8.595 -7.138 -1.434
177 HA LYS 27 HA LYS 27 9.719 -5.465 -0.474
178 HB2 LYS 27 HB3 LYS 27 10.219 -7.489 1.732
179 HB3 LYS 27 HB2 LYS 27 10.475 -5.754 1.871
180 HG2 LYS 27 HG3 LYS 27 7.779 -7.075 1.349
181 HG3 LYS 27 HG2 LYS 27 8.373 -6.484 2.904
182 HD2 LYS 27 HD3 LYS 27 8.556 -4.168 1.905
183 HD3 LYS 27 HD2 LYS 27 7.772 -4.798 0.441
184 HE2 LYS 27 HE3 LYS 27 5.835 -5.535 1.842
185 HE3 LYS 27 HE2 LYS 27 6.604 -4.775 3.248
186 HZ1 LYS 27 HZ1 LYS 27 4.998 -3.345 2.226
187 HZ2 LYS 27 HZ2 LYS 27 5.793 -3.402 0.782
188 HZ3 LYS 27 HZ3 LYS 27 6.506 -2.690 2.088
189 H TRP 28 H TRP 28 11.072 -6.484 -2.504
190 HA TRP 28 HA TRP 28 13.762 -5.668 -1.743
191 HB2 TRP 28 HB3 TRP 28 14.950 -7.348 -2.794
192 HB3 TRP 28 HB2 TRP 28 13.815 -8.158 -1.754
193 HD1 TRP 28 HD1 TRP 28 11.771 -7.592 -4.711
194 HE1 TRP 28 HE1 TRP 28 11.858 -9.497 -6.352
195 HE3 TRP 28 HE3 TRP 28 15.897 -9.984 -2.881
196 HZ2 TRP 28 HZ2 TRP 28 13.533 -11.820 -6.862
197 HZ3 TRP 28 HZ3 TRP 28 16.726 -12.045 -3.979
198 HH2 TRP 28 HH2 TRP 28 15.556 -12.970 -5.966
199 H CYS 29 H CYS 29 15.026 -4.907 -3.593
200 HA CYS 29 HA CYS 29 13.454 -3.215 -5.299
201 HB2 CYS 29 HB3 CYS 29 16.395 -3.909 -5.361
202 HB3 CYS 29 HB2 CYS 29 15.635 -2.549 -6.184
203 H LYS 30 H LYS 30 12.817 -3.476 -7.368
204 HA LYS 30 HA LYS 30 14.032 -5.487 -9.094
205 HB2 LYS 30 HB3 LYS 30 11.857 -6.457 -9.762
206 HB3 LYS 30 HB2 LYS 30 12.380 -6.872 -8.134
207 HG2 LYS 30 HG3 LYS 30 10.772 -5.327 -7.153
208 HG3 LYS 30 HG2 LYS 30 10.346 -4.680 -8.743
209 HD2 LYS 30 HD3 LYS 30 8.642 -6.250 -7.904
210 HD3 LYS 30 HD2 LYS 30 9.368 -6.806 -9.415
211 HE2 LYS 30 HE3 LYS 30 10.782 -8.403 -8.209
212 HE3 LYS 30 HE2 LYS 30 10.190 -7.798 -6.653
213 HZ1 LYS 30 HZ1 LYS 30 8.008 -8.536 -7.266
214 HZ2 LYS 30 HZ2 LYS 30 9.077 -9.791 -7.310
215 HZ3 LYS 30 HZ3 LYS 30 8.559 -9.099 -8.715
216 H VAL 31 H VAL 31 13.523 -5.222 -11.309
217 HA VAL 31 HA VAL 31 14.146 -2.640 -11.949
218 HB VAL 31 HB VAL 31 13.104 -4.599 -14.005
219 HG11 VAL 31 HG11 VAL 31 14.789 -3.519 -15.430
220 HG12 VAL 31 HG12 VAL 31 15.347 -2.523 -14.068
221 HG13 VAL 31 HG13 VAL 31 13.726 -2.282 -14.743
222 HG21 VAL 31 HG21 VAL 31 14.638 -5.919 -12.668
223 HG22 VAL 31 HG22 VAL 31 15.471 -5.446 -14.146
224 HG23 VAL 31 HG23 VAL 31 15.828 -4.594 -12.627
225 H LEU 32 H LEU 32 13.070 -0.861 -11.957
226 HA LEU 32 HA LEU 32 10.256 -0.510 -12.234
227 HB2 LEU 32 HB3 LEU 32 11.635 1.062 -11.002
228 HB3 LEU 32 HB2 LEU 32 12.660 1.337 -12.397
229 HG LEU 32 HG LEU 32 10.751 2.469 -13.549
230 HD11 LEU 32 HD11 LEU 32 8.747 3.103 -12.233
231 HD12 LEU 32 HD12 LEU 32 9.305 2.096 -10.882
232 HD13 LEU 32 HD13 LEU 32 8.844 1.348 -12.427
233 HD21 LEU 32 HD21 LEU 32 11.427 3.558 -10.782
234 HD22 LEU 32 HD22 LEU 32 12.408 3.751 -12.251
235 HD23 LEU 32 HD23 LEU 32 10.805 4.500 -12.156
236 H LEU 33 H LEU 33 12.980 -0.063 -14.382
237 HA LEU 33 HA LEU 33 11.527 1.013 -16.618
238 HB2 LEU 33 HB3 LEU 33 14.326 -0.161 -16.363
239 HB3 LEU 33 HB2 LEU 33 13.715 0.625 -17.817
240 HG LEU 33 HG LEU 33 14.003 2.003 -15.102
241 HD11 LEU 33 HD11 LEU 33 15.739 2.188 -17.597
242 HD12 LEU 33 HD12 LEU 33 16.181 1.390 -16.071
243 HD13 LEU 33 HD13 LEU 33 15.930 3.142 -16.108
244 HD21 LEU 33 HD21 LEU 33 12.246 3.081 -16.431
245 HD22 LEU 33 HD22 LEU 33 13.315 3.130 -17.852
246 HD23 LEU 33 HD23 LEU 33 13.690 4.096 -16.409
247 HN1 NH2 34 HN1 AMD 34 10.122 -0.114 -17.831
248 HN2 NH2 34 HN2 AMD 34 10.305 -1.786 -18.313
Start of MODEL 2
1 H1 GLU 1 H1 AMN 0 24.574 3.352 0.746
2 H2 GLU 1 H2 AMN 0 25.177 4.873 0.536
3 H3 GLU 1 H3 AMN 0 23.568 4.657 0.830
4 HA GLU 1 HA GLU 1 23.937 5.181 -1.436
5 HB2 GLU 1 HB3 GLU 1 25.186 3.727 -2.901
6 HB3 GLU 1 HB2 GLU 1 26.215 4.309 -1.594
7 HG2 GLU 1 HG3 GLU 1 25.958 2.124 -0.419
8 HG3 GLU 1 HG2 GLU 1 24.922 1.542 -1.729
9 H CYS 2 H CYS 2 22.830 4.129 -3.254
10 HA CYS 2 HA CYS 2 20.382 3.035 -2.362
11 HB2 CYS 2 HB3 CYS 2 19.734 3.120 -4.669
12 HB3 CYS 2 HB2 CYS 2 20.657 4.554 -4.269
13 H LYS 3 H LYS 3 19.382 1.062 -2.746
14 HA LYS 3 HA LYS 3 21.138 -1.274 -2.671
15 HB2 LYS 3 HB3 LYS 3 18.157 -0.794 -2.346
16 HB3 LYS 3 HB2 LYS 3 18.806 -2.423 -2.482
17 HG2 LYS 3 HG3 LYS 3 19.738 -0.437 -0.366
18 HG3 LYS 3 HG2 LYS 3 18.434 -1.611 -0.128
19 HD2 LYS 3 HD3 LYS 3 20.024 -3.464 -0.608
20 HD3 LYS 3 HD2 LYS 3 21.344 -2.285 -0.761
21 HE2 LYS 3 HE3 LYS 3 20.935 -1.536 1.564
22 HE3 LYS 3 HE2 LYS 3 19.631 -2.732 1.714
23 HZ1 LYS 3 HZ1 LYS 3 21.249 -4.445 1.317
24 HZ2 LYS 3 HZ2 LYS 3 21.671 -3.538 2.629
25 HZ3 LYS 3 HZ3 LYS 3 22.457 -3.330 1.194
26 H GLY 4 H GLY 4 21.560 -2.633 -4.277
27 HA2 GLY 4 HA2 GLY 4 20.660 -2.135 -6.988
28 HA3 GLY 4 HA3 GLY 4 21.758 -3.398 -6.421
29 H PHE 5 H PHE 5 20.110 -4.238 -8.284
30 HA PHE 5 HA PHE 5 17.496 -4.931 -7.745
31 HB2 PHE 5 HB3 PHE 5 18.528 -4.759 -9.940
32 HB3 PHE 5 HB2 PHE 5 19.683 -6.024 -9.553
33 HD1 PHE 5 HD1 PHE 5 15.924 -5.620 -9.394
34 HD2 PHE 5 HD2 PHE 5 19.291 -8.042 -10.606
35 HE1 PHE 5 HE1 PHE 5 14.375 -7.377 -10.236
36 HE2 PHE 5 HE2 PHE 5 17.733 -9.771 -11.459
37 HZ PHE 5 HZ PHE 5 15.287 -9.429 -11.260
38 H GLY 6 H GLY 6 16.567 -6.480 -6.590
39 HA2 GLY 6 HA2 GLY 6 16.148 -8.402 -5.489
40 HA3 GLY 6 HA3 GLY 6 17.608 -9.113 -6.188
41 H LYS 7 H LYS 7 17.502 -6.139 -4.180
42 HA LYS 7 HA LYS 7 18.685 -7.627 -1.887
43 HB2 LYS 7 HB3 LYS 7 19.376 -4.806 -2.781
44 HB3 LYS 7 HB2 LYS 7 19.994 -5.666 -1.367
45 HG2 LYS 7 HG3 LYS 7 20.957 -7.417 -2.913
46 HG3 LYS 7 HG2 LYS 7 20.485 -6.388 -4.282
47 HD2 LYS 7 HD3 LYS 7 21.872 -4.528 -3.294
48 HD3 LYS 7 HD2 LYS 7 22.363 -5.636 -2.001
49 HE2 LYS 7 HE3 LYS 7 24.131 -5.643 -3.628
50 HE3 LYS 7 HE2 LYS 7 23.285 -7.193 -3.757
51 HZ1 LYS 7 HZ1 LYS 7 22.884 -4.869 -5.509
52 HZ2 LYS 7 HZ2 LYS 7 22.099 -6.313 -5.636
53 HZ3 LYS 7 HZ3 LYS 7 23.727 -6.235 -5.892
54 H SER 8 H SER 8 18.045 -7.075 0.113
55 HA SER 8 HA SER 8 15.337 -6.373 0.432
56 HB2 SER 8 HB3 SER 8 16.601 -7.903 1.905
57 HB3 SER 8 HB2 SER 8 17.555 -6.535 2.515
58 HG SER 8 HG SER 8 14.735 -6.838 2.695
59 H CYS 9 H CYS 9 14.323 -4.520 0.718
60 HA CYS 9 HA CYS 9 15.876 -2.006 0.763
61 HB2 CYS 9 HB3 CYS 9 13.972 -1.041 -0.296
62 HB3 CYS 9 HB2 CYS 9 14.293 -2.563 -1.092
63 H VAL 10 H VAL 10 14.674 -0.151 1.695
64 HA VAL 10 HA VAL 10 13.508 -0.496 4.364
65 HB VAL 10 HB VAL 10 13.962 1.870 2.501
66 HG11 VAL 10 HG11 VAL 10 13.100 3.318 4.362
67 HG12 VAL 10 HG12 VAL 10 12.506 1.862 5.184
68 HG13 VAL 10 HG13 VAL 10 11.837 2.344 3.608
69 HG21 VAL 10 HG21 VAL 10 15.451 2.649 4.273
70 HG22 VAL 10 HG22 VAL 10 15.916 1.001 3.817
71 HG23 VAL 10 HG23 VAL 10 14.996 1.273 5.308
72 HA PRO 11 HA PRO 11 9.621 -1.275 2.174
73 HB2 PRO 11 HB3 PRO 11 7.921 -1.627 4.257
74 HB3 PRO 11 HB2 PRO 11 9.238 -2.773 3.883
75 HG2 PRO 11 HG3 PRO 11 9.291 -0.525 5.923
76 HG3 PRO 11 HG2 PRO 11 9.733 -2.247 6.165
77 HD2 PRO 11 HD3 PRO 11 11.594 -0.321 5.609
78 HD3 PRO 11 HD2 PRO 11 11.754 -1.992 4.990
79 H GLY 12 H GLY 12 10.006 0.932 1.413
80 HA2 GLY 12 HA2 GLY 12 7.603 2.396 1.356
81 HA3 GLY 12 HA3 GLY 12 8.736 3.256 2.413
82 H LYS 13 H LYS 13 10.173 1.377 -0.171
83 HA LYS 13 HA LYS 13 11.463 1.877 -1.878
84 HB2 LYS 13 HB3 LYS 13 9.208 3.798 -2.566
85 HB3 LYS 13 HB2 LYS 13 10.463 3.246 -3.682
86 HG2 LYS 13 HG3 LYS 13 9.688 0.943 -3.526
87 HG3 LYS 13 HG2 LYS 13 8.498 1.371 -2.282
88 HD2 LYS 13 HD3 LYS 13 7.321 2.845 -3.858
89 HD3 LYS 13 HD2 LYS 13 8.508 2.465 -5.123
90 HE2 LYS 13 HE3 LYS 13 7.870 0.076 -5.000
91 HE3 LYS 13 HE2 LYS 13 6.699 0.448 -3.720
92 HZ1 LYS 13 HZ1 LYS 13 5.539 1.835 -5.278
93 HZ2 LYS 13 HZ2 LYS 13 5.663 0.294 -5.855
94 HZ3 LYS 13 HZ3 LYS 13 6.629 1.484 -6.465
95 H ASN 14 H ASN 14 12.681 2.822 0.123
96 HA ASN 14 HA ASN 14 13.487 5.625 -0.482
97 HB2 ASN 14 HB3 ASN 14 13.520 4.228 2.206
98 HB3 ASN 14 HB2 ASN 14 13.954 5.904 1.893
99 HD21 ASN 14 HD21 ASN 14 12.087 7.150 0.590
100 HD22 ASN 14 HD22 ASN 14 10.497 6.963 1.296
101 H GLU 15 H GLU 15 14.590 2.638 -1.096
102 HA GLU 15 HA GLU 15 17.437 3.417 -0.671
103 HB2 GLU 15 HB3 GLU 15 16.120 0.705 -0.347
104 HB3 GLU 15 HB2 GLU 15 17.848 0.908 -0.617
105 HG2 GLU 15 HG3 GLU 15 16.341 2.154 1.705
106 HG3 GLU 15 HG2 GLU 15 17.269 0.651 1.784
107 H CYS 16 H CYS 16 15.269 1.329 -2.689
108 HA CYS 16 HA CYS 16 17.209 0.395 -4.347
109 HB2 CYS 16 HB3 CYS 16 14.317 0.940 -5.057
110 HB3 CYS 16 HB2 CYS 16 15.401 -0.152 -5.916
111 H CYS 17 H CYS 17 18.263 0.940 -6.170
112 HA CYS 17 HA CYS 17 18.825 3.633 -6.664
113 HB2 CYS 17 HB3 CYS 17 19.399 1.234 -8.436
114 HB3 CYS 17 HB2 CYS 17 20.218 2.779 -8.506
115 H SER 18 H SER 18 19.034 4.508 -8.977
116 HA SER 18 HA SER 18 16.427 5.032 -10.086
117 HB2 SER 18 HB3 SER 18 19.240 5.699 -11.049
118 HB3 SER 18 HB2 SER 18 17.740 6.303 -11.783
119 HG SER 18 HG SER 18 18.616 7.760 -10.260
120 H GLY 19 H GLY 19 15.395 3.450 -11.066
121 HA2 GLY 19 HA2 GLY 19 15.076 2.309 -13.228
122 HA3 GLY 19 HA3 GLY 19 16.728 1.699 -13.082
123 H LEU 20 H LEU 20 15.149 1.881 -10.052
124 HA LEU 20 HA LEU 20 14.100 -0.875 -10.092
125 HB2 LEU 20 HB3 LEU 20 15.980 0.289 -8.009
126 HB3 LEU 20 HB2 LEU 20 15.212 -1.292 -7.923
127 HG LEU 20 HG LEU 20 17.224 -0.490 -10.060
128 HD11 LEU 20 HD11 LEU 20 18.205 -0.483 -7.791
129 HD12 LEU 20 HD12 LEU 20 18.851 -1.790 -8.795
130 HD13 LEU 20 HD13 LEU 20 17.635 -2.139 -7.539
131 HD21 LEU 20 HD21 LEU 20 16.151 -3.234 -9.249
132 HD22 LEU 20 HD22 LEU 20 17.381 -2.901 -10.498
133 HD23 LEU 20 HD23 LEU 20 15.727 -2.356 -10.729
134 H THR 21 H THR 21 12.885 -1.298 -8.067
135 HA THR 21 HA THR 21 11.753 0.821 -6.509
136 HB THR 21 HB THR 21 10.564 1.289 -8.606
137 HG1 THR 21 HG1 THR 21 9.538 1.521 -6.598
138 HG21 THR 21 HG21 THR 21 8.955 -0.191 -9.624
139 HG22 THR 21 HG22 THR 21 9.277 -1.472 -8.448
140 HG23 THR 21 HG23 THR 21 10.519 -1.014 -9.634
141 H CYS 22 H CYS 22 11.143 -0.126 -4.577
142 HA CYS 22 HA CYS 22 11.620 -2.930 -4.345
143 HB2 CYS 22 HB3 CYS 22 12.107 -1.143 -2.607
144 HB3 CYS 22 HB2 CYS 22 10.387 -1.213 -2.184
145 H SER 23 H SER 23 10.297 -4.563 -4.669
146 HA SER 23 HA SER 23 7.664 -4.525 -5.465
147 HB2 SER 23 HB3 SER 23 9.331 -6.371 -5.675
148 HB3 SER 23 HB2 SER 23 9.157 -6.710 -3.951
149 HG SER 23 HG SER 23 6.923 -7.091 -4.358
150 H ASN 24 H ASN 24 5.697 -4.502 -4.489
151 HA ASN 24 HA ASN 24 5.314 -3.794 -1.769
152 HB2 ASN 24 HB3 ASN 24 3.762 -3.301 -3.648
153 HB3 ASN 24 HB2 ASN 24 3.361 -5.012 -3.773
154 HD21 ASN 24 HD21 ASN 24 2.823 -2.031 -2.028
155 HD22 ASN 24 HD22 ASN 24 1.620 -2.642 -0.914
156 H LYS 25 H LYS 25 4.970 -6.937 -3.496
157 HA LYS 25 HA LYS 25 4.136 -8.423 -1.193
158 HB2 LYS 25 HB3 LYS 25 3.499 -8.951 -3.514
159 HB3 LYS 25 HB2 LYS 25 5.180 -9.316 -3.914
160 HG2 LYS 25 HG3 LYS 25 5.150 -11.198 -2.260
161 HG3 LYS 25 HG2 LYS 25 3.472 -10.796 -1.853
162 HD2 LYS 25 HD3 LYS 25 2.752 -11.309 -4.140
163 HD3 LYS 25 HD2 LYS 25 4.434 -11.566 -4.646
164 HE2 LYS 25 HE3 LYS 25 4.630 -13.439 -3.029
165 HE3 LYS 25 HE2 LYS 25 2.934 -13.204 -2.562
166 HZ1 LYS 25 HZ1 LYS 25 3.893 -13.906 -5.246
167 HZ2 LYS 25 HZ2 LYS 25 2.316 -13.691 -4.815
168 HZ3 LYS 25 HZ3 LYS 25 3.183 -14.938 -4.173
169 H HIS 26 H HIS 26 7.192 -8.578 -3.148
170 HA HIS 26 HA HIS 26 8.345 -10.456 -1.302
171 HB2 HIS 26 HB3 HIS 26 9.455 -9.064 -3.766
172 HB3 HIS 26 HB2 HIS 26 10.257 -10.371 -2.894
173 HD1 HIS 26 HD1 HIS 26 9.044 -12.826 -3.030
174 HD2 HIS 26 HD2 HIS 26 7.401 -9.758 -5.378
175 HE1 HIS 26 HE1 HIS 26 7.462 -13.941 -4.694
176 H LYS 27 H LYS 27 8.532 -6.985 -1.575
177 HA LYS 27 HA LYS 27 9.881 -5.393 -0.822
178 HB2 LYS 27 HB3 LYS 27 9.748 -7.180 1.611
179 HB3 LYS 27 HB2 LYS 27 10.495 -5.584 1.651
180 HG2 LYS 27 HG3 LYS 27 7.619 -6.034 0.752
181 HG3 LYS 27 HG2 LYS 27 8.096 -5.666 2.413
182 HD2 LYS 27 HD3 LYS 27 9.128 -3.541 1.680
183 HD3 LYS 27 HD2 LYS 27 8.647 -3.857 0.012
184 HE2 LYS 27 HE3 LYS 27 6.269 -3.914 0.692
185 HE3 LYS 27 HE2 LYS 27 6.747 -3.563 2.366
186 HZ1 LYS 27 HZ1 LYS 27 6.081 -1.599 1.198
187 HZ2 LYS 27 HZ2 LYS 27 7.237 -1.833 0.045
188 HZ3 LYS 27 HZ3 LYS 27 7.678 -1.505 1.601
189 H TRP 28 H TRP 28 11.184 -6.614 -2.598
190 HA TRP 28 HA TRP 28 13.824 -5.788 -1.745
191 HB2 TRP 28 HB3 TRP 28 15.066 -7.498 -2.798
192 HB3 TRP 28 HB2 TRP 28 14.005 -8.231 -1.628
193 HD1 TRP 28 HD1 TRP 28 11.778 -7.920 -4.463
194 HE1 TRP 28 HE1 TRP 28 11.761 -9.965 -5.937
195 HE3 TRP 28 HE3 TRP 28 16.049 -10.134 -2.745
196 HZ2 TRP 28 HZ2 TRP 28 13.426 -12.316 -6.373
197 HZ3 TRP 28 HZ3 TRP 28 16.822 -12.277 -3.723
198 HH2 TRP 28 HH2 TRP 28 15.522 -13.373 -5.534
199 H CYS 29 H CYS 29 15.143 -5.087 -3.634
200 HA CYS 29 HA CYS 29 13.615 -3.374 -5.288
201 HB2 CYS 29 HB3 CYS 29 16.489 -4.266 -5.590
202 HB3 CYS 29 HB2 CYS 29 15.752 -2.859 -6.355
203 H LYS 30 H LYS 30 12.787 -3.535 -7.266
204 HA LYS 30 HA LYS 30 13.547 -5.744 -9.076
205 HB2 LYS 30 HB3 LYS 30 10.694 -5.004 -8.317
206 HB3 LYS 30 HB2 LYS 30 11.149 -5.968 -9.727
207 HG2 LYS 30 HG3 LYS 30 12.308 -7.570 -8.192
208 HG3 LYS 30 HG2 LYS 30 11.573 -6.697 -6.818
209 HD2 LYS 30 HD3 LYS 30 9.312 -7.166 -7.711
210 HD3 LYS 30 HD2 LYS 30 10.018 -7.890 -9.155
211 HE2 LYS 30 HE3 LYS 30 11.134 -9.605 -7.713
212 HE3 LYS 30 HE2 LYS 30 10.251 -8.943 -6.319
213 HZ1 LYS 30 HZ1 LYS 30 8.215 -9.467 -7.456
214 HZ2 LYS 30 HZ2 LYS 30 9.139 -10.822 -7.280
215 HZ3 LYS 30 HZ3 LYS 30 9.043 -10.074 -8.747
216 H VAL 31 H VAL 31 13.158 -5.327 -11.265
217 HA VAL 31 HA VAL 31 14.109 -2.772 -11.943
218 HB VAL 31 HB VAL 31 13.036 -4.903 -13.816
219 HG11 VAL 31 HG11 VAL 31 13.371 -2.726 -14.938
220 HG12 VAL 31 HG12 VAL 31 14.619 -3.873 -15.438
221 HG13 VAL 31 HG13 VAL 31 15.008 -2.610 -14.250
222 HG21 VAL 31 HG21 VAL 31 15.833 -4.493 -12.656
223 HG22 VAL 31 HG22 VAL 31 14.764 -5.892 -12.404
224 HG23 VAL 31 HG23 VAL 31 15.444 -5.590 -14.000
225 H LEU 32 H LEU 32 13.036 -0.966 -11.819
226 HA LEU 32 HA LEU 32 10.280 -0.568 -12.607
227 HB2 LEU 32 HB3 LEU 32 11.339 0.834 -10.903
228 HB3 LEU 32 HB2 LEU 32 12.585 1.332 -12.035
229 HG LEU 32 HG LEU 32 10.886 2.537 -13.375
230 HD11 LEU 32 HD11 LEU 32 8.603 2.887 -12.469
231 HD12 LEU 32 HD12 LEU 32 8.922 1.688 -11.199
232 HD13 LEU 32 HD13 LEU 32 8.868 1.197 -12.908
233 HD21 LEU 32 HD21 LEU 32 12.114 3.682 -11.569
234 HD22 LEU 32 HD22 LEU 32 10.478 4.339 -11.752
235 HD23 LEU 32 HD23 LEU 32 10.845 3.233 -10.409
236 H LEU 33 H LEU 33 13.406 0.433 -13.865
237 HA LEU 33 HA LEU 33 12.565 0.062 -16.684
238 HB2 LEU 33 HB3 LEU 33 13.806 2.572 -15.485
239 HB3 LEU 33 HB2 LEU 33 13.836 2.217 -17.209
240 HG LEU 33 HG LEU 33 11.269 2.522 -15.593
241 HD11 LEU 33 HD11 LEU 33 12.539 4.630 -15.649
242 HD12 LEU 33 HD12 LEU 33 11.081 4.737 -16.648
243 HD13 LEU 33 HD13 LEU 33 12.669 4.519 -17.418
244 HD21 LEU 33 HD21 LEU 33 11.749 2.396 -18.604
245 HD22 LEU 33 HD22 LEU 33 10.198 2.765 -17.822
246 HD23 LEU 33 HD23 LEU 33 10.922 1.168 -17.622
247 HN1 NH2 34 HN1 AMD 34 14.005 -1.218 -17.677
248 HN2 NH2 34 HN2 AMD 34 15.684 -1.403 -17.222
Start of MODEL 3
1 H1 GLU 1 H1 AMN 0 23.971 4.383 1.094
2 H2 GLU 1 H2 AMN 0 25.245 5.162 0.393
3 H3 GLU 1 H3 AMN 0 23.706 5.479 -0.110
4 HA GLU 1 HA GLU 1 24.828 4.130 -1.688
5 HB2 GLU 1 HB3 GLU 1 26.393 3.084 -0.111
6 HB3 GLU 1 HB2 GLU 1 25.076 2.163 0.619
7 HG2 GLU 1 HG3 GLU 1 26.393 0.802 -0.965
8 HG3 GLU 1 HG2 GLU 1 24.714 0.935 -1.473
9 H CYS 2 H CYS 2 23.207 3.781 -2.988
10 HA CYS 2 HA CYS 2 20.578 3.058 -2.155
11 HB2 CYS 2 HB3 CYS 2 20.039 3.143 -4.493
12 HB3 CYS 2 HB2 CYS 2 21.111 4.471 -4.097
13 H LYS 3 H LYS 3 19.391 1.174 -2.572
14 HA LYS 3 HA LYS 3 20.916 -1.298 -2.278
15 HB2 LYS 3 HB3 LYS 3 17.979 -0.544 -2.180
16 HB3 LYS 3 HB2 LYS 3 18.486 -2.223 -2.128
17 HG2 LYS 3 HG3 LYS 3 19.631 -0.229 -0.142
18 HG3 LYS 3 HG2 LYS 3 18.027 -0.913 0.077
19 HD2 LYS 3 HD3 LYS 3 19.563 -2.172 1.391
20 HD3 LYS 3 HD2 LYS 3 18.946 -3.195 0.091
21 HE2 LYS 3 HE3 LYS 3 21.038 -2.920 -1.159
22 HE3 LYS 3 HE2 LYS 3 21.642 -1.774 0.057
23 HZ1 LYS 3 HZ1 LYS 3 21.566 -3.544 1.655
24 HZ2 LYS 3 HZ2 LYS 3 22.519 -3.961 0.376
25 HZ3 LYS 3 HZ3 LYS 3 21.006 -4.601 0.521
26 H GLY 4 H GLY 4 21.540 -2.541 -3.918
27 HA2 GLY 4 HA2 GLY 4 20.835 -2.022 -6.643
28 HA3 GLY 4 HA3 GLY 4 21.816 -3.354 -6.014
29 H PHE 5 H PHE 5 20.352 -4.080 -8.066
30 HA PHE 5 HA PHE 5 17.688 -4.747 -7.755
31 HB2 PHE 5 HB3 PHE 5 18.967 -4.457 -9.844
32 HB3 PHE 5 HB2 PHE 5 19.980 -5.829 -9.439
33 HD1 PHE 5 HD1 PHE 5 16.236 -5.728 -9.056
34 HD2 PHE 5 HD2 PHE 5 19.612 -7.138 -11.356
35 HE1 PHE 5 HE1 PHE 5 14.755 -7.278 -10.292
36 HE2 PHE 5 HE2 PHE 5 18.111 -8.665 -12.604
37 HZ PHE 5 HZ PHE 5 15.694 -8.734 -12.058
38 H GLY 6 H GLY 6 16.795 -6.154 -6.422
39 HA2 GLY 6 HA2 GLY 6 16.285 -8.321 -5.713
40 HA3 GLY 6 HA3 GLY 6 17.956 -8.831 -5.946
41 H LYS 7 H LYS 7 18.375 -5.967 -4.368
42 HA LYS 7 HA LYS 7 18.876 -7.255 -1.810
43 HB2 LYS 7 HB3 LYS 7 19.113 -4.340 -2.640
44 HB3 LYS 7 HB2 LYS 7 19.750 -5.061 -1.169
45 HG2 LYS 7 HG3 LYS 7 20.680 -5.721 -3.996
46 HG3 LYS 7 HG2 LYS 7 21.489 -4.653 -2.848
47 HD2 LYS 7 HD3 LYS 7 21.784 -6.590 -1.280
48 HD3 LYS 7 HD2 LYS 7 21.015 -7.645 -2.480
49 HE2 LYS 7 HE3 LYS 7 23.385 -7.907 -2.698
50 HE3 LYS 7 HE2 LYS 7 22.797 -7.034 -4.122
51 HZ1 LYS 7 HZ1 LYS 7 24.791 -6.076 -3.243
52 HZ2 LYS 7 HZ2 LYS 7 24.085 -5.832 -1.772
53 HZ3 LYS 7 HZ3 LYS 7 23.543 -5.007 -3.092
54 H SER 8 H SER 8 17.687 -7.149 -0.003
55 HA SER 8 HA SER 8 14.967 -6.392 -0.015
56 HB2 SER 8 HB3 SER 8 15.937 -8.152 1.414
57 HB3 SER 8 HB2 SER 8 16.827 -6.920 2.337
58 HG SER 8 HG SER 8 14.004 -7.095 2.042
59 H CYS 9 H CYS 9 14.076 -4.468 0.117
60 HA CYS 9 HA CYS 9 15.699 -2.093 0.505
61 HB2 CYS 9 HB3 CYS 9 13.808 -0.941 -0.402
62 HB3 CYS 9 HB2 CYS 9 14.018 -2.408 -1.323
63 H VAL 10 H VAL 10 14.648 -0.207 1.552
64 HA VAL 10 HA VAL 10 13.532 -0.552 4.233
65 HB VAL 10 HB VAL 10 14.116 1.794 2.382
66 HG11 VAL 10 HG11 VAL 10 12.047 2.451 3.479
67 HG12 VAL 10 HG12 VAL 10 13.385 3.311 4.238
68 HG13 VAL 10 HG13 VAL 10 12.663 1.912 5.059
69 HG21 VAL 10 HG21 VAL 10 15.658 2.455 4.171
70 HG22 VAL 10 HG22 VAL 10 16.007 0.794 3.661
71 HG23 VAL 10 HG23 VAL 10 15.122 1.085 5.172
72 HA PRO 11 HA PRO 11 9.457 -0.975 2.256
73 HB2 PRO 11 HB3 PRO 11 7.838 -0.914 4.454
74 HB3 PRO 11 HB2 PRO 11 8.877 -2.304 4.037
75 HG2 PRO 11 HG3 PRO 11 9.475 -0.077 6.005
76 HG3 PRO 11 HG2 PRO 11 9.649 -1.845 6.244
77 HD2 PRO 11 HD3 PRO 11 11.751 -0.249 5.544
78 HD3 PRO 11 HD2 PRO 11 11.603 -1.924 4.932
79 H GLY 12 H GLY 12 9.771 0.960 1.173
80 HA2 GLY 12 HA2 GLY 12 7.779 2.859 1.245
81 HA3 GLY 12 HA3 GLY 12 9.085 3.556 2.216
82 H LYS 13 H LYS 13 10.325 1.473 -0.261
83 HA LYS 13 HA LYS 13 11.572 1.776 -2.037
84 HB2 LYS 13 HB3 LYS 13 9.508 3.885 -2.796
85 HB3 LYS 13 HB2 LYS 13 10.644 3.106 -3.899
86 HG2 LYS 13 HG3 LYS 13 9.592 0.941 -3.572
87 HG3 LYS 13 HG2 LYS 13 8.495 1.594 -2.343
88 HD2 LYS 13 HD3 LYS 13 7.444 3.071 -3.974
89 HD3 LYS 13 HD2 LYS 13 8.581 2.548 -5.232
90 HE2 LYS 13 HE3 LYS 13 7.734 0.236 -5.049
91 HE3 LYS 13 HE2 LYS 13 6.614 0.736 -3.766
92 HZ1 LYS 13 HZ1 LYS 13 6.603 1.714 -6.533
93 HZ2 LYS 13 HZ2 LYS 13 5.559 2.181 -5.344
94 HZ3 LYS 13 HZ3 LYS 13 5.546 0.624 -5.888
95 H ASN 14 H ASN 14 12.334 3.202 0.307
96 HA ASN 14 HA ASN 14 13.132 5.875 -0.380
97 HB2 ASN 14 HB3 ASN 14 12.406 5.143 1.889
98 HB3 ASN 14 HB2 ASN 14 13.866 4.162 2.029
99 HD21 ASN 14 HD21 ASN 14 15.467 5.119 3.188
100 HD22 ASN 14 HD22 ASN 14 15.737 6.843 3.317
101 H GLU 15 H GLU 15 14.626 2.766 -0.837
102 HA GLU 15 HA GLU 15 17.355 3.971 -0.846
103 HB2 GLU 15 HB3 GLU 15 16.398 1.193 -0.105
104 HB3 GLU 15 HB2 GLU 15 18.093 1.621 -0.351
105 HG2 GLU 15 HG3 GLU 15 16.271 2.905 1.720
106 HG3 GLU 15 HG2 GLU 15 17.479 1.653 2.030
107 H CYS 16 H CYS 16 15.219 1.774 -2.745
108 HA CYS 16 HA CYS 16 17.185 0.519 -4.192
109 HB2 CYS 16 HB3 CYS 16 14.411 1.276 -5.137
110 HB3 CYS 16 HB2 CYS 16 15.464 0.080 -5.889
111 H CYS 17 H CYS 17 18.431 0.868 -5.943
112 HA CYS 17 HA CYS 17 19.215 3.480 -6.612
113 HB2 CYS 17 HB3 CYS 17 19.764 0.905 -8.127
114 HB3 CYS 17 HB2 CYS 17 20.674 2.391 -8.265
115 H SER 18 H SER 18 19.636 4.068 -9.022
116 HA SER 18 HA SER 18 17.200 4.808 -10.244
117 HB2 SER 18 HB3 SER 18 18.643 5.602 -12.088
118 HB3 SER 18 HB2 SER 18 19.178 6.141 -10.488
119 HG SER 18 HG SER 18 20.733 4.455 -10.540
120 H GLY 19 H GLY 19 15.814 3.547 -11.194
121 HA2 GLY 19 HA2 GLY 19 15.045 2.336 -13.066
122 HA3 GLY 19 HA3 GLY 19 16.622 1.556 -13.236
123 H LEU 20 H LEU 20 15.092 1.902 -10.080
124 HA LEU 20 HA LEU 20 14.054 -0.865 -10.047
125 HB2 LEU 20 HB3 LEU 20 15.962 0.324 -8.003
126 HB3 LEU 20 HB2 LEU 20 15.112 -1.201 -7.812
127 HG LEU 20 HG LEU 20 17.111 -0.691 -10.045
128 HD11 LEU 20 HD11 LEU 20 17.582 -2.087 -7.384
129 HD12 LEU 20 HD12 LEU 20 18.143 -0.461 -7.795
130 HD13 LEU 20 HD13 LEU 20 18.757 -1.851 -8.703
131 HD21 LEU 20 HD21 LEU 20 15.996 -3.290 -8.885
132 HD22 LEU 20 HD22 LEU 20 17.160 -3.139 -10.222
133 HD23 LEU 20 HD23 LEU 20 15.509 -2.569 -10.428
134 H THR 21 H THR 21 12.692 -1.253 -8.229
135 HA THR 21 HA THR 21 11.627 0.891 -6.620
136 HB THR 21 HB THR 21 10.493 1.370 -8.750
137 HG1 THR 21 HG1 THR 21 8.804 0.214 -6.803
138 HG21 THR 21 HG21 THR 21 9.141 -1.360 -8.568
139 HG22 THR 21 HG22 THR 21 10.409 -0.943 -9.741
140 HG23 THR 21 HG23 THR 21 8.858 -0.092 -9.769
141 H CYS 22 H CYS 22 10.914 -0.013 -4.719
142 HA CYS 22 HA CYS 22 11.380 -2.815 -4.461
143 HB2 CYS 22 HB3 CYS 22 11.916 -1.058 -2.739
144 HB3 CYS 22 HB2 CYS 22 10.196 -1.057 -2.310
145 H SER 23 H SER 23 10.063 -4.441 -4.692
146 HA SER 23 HA SER 23 7.328 -4.428 -5.280
147 HB2 SER 23 HB3 SER 23 8.994 -6.223 -5.727
148 HB3 SER 23 HB2 SER 23 9.060 -6.592 -4.001
149 HG SER 23 HG SER 23 7.627 -7.956 -5.152
150 H ASN 24 H ASN 24 5.496 -4.969 -4.058
151 HA ASN 24 HA ASN 24 5.476 -4.400 -1.194
152 HB2 ASN 24 HB3 ASN 24 3.319 -5.397 -3.103
153 HB3 ASN 24 HB2 ASN 24 3.064 -4.959 -1.411
154 HD21 ASN 24 HD21 ASN 24 3.783 -2.660 -0.785
155 HD22 ASN 24 HD22 ASN 24 3.476 -1.395 -1.955
156 H LYS 25 H LYS 25 5.047 -7.261 -3.334
157 HA LYS 25 HA LYS 25 4.446 -9.115 -1.256
158 HB2 LYS 25 HB3 LYS 25 5.222 -9.373 -4.185
159 HB3 LYS 25 HB2 LYS 25 5.005 -10.781 -3.153
160 HG2 LYS 25 HG3 LYS 25 2.999 -10.412 -4.396
161 HG3 LYS 25 HG2 LYS 25 2.682 -10.157 -2.679
162 HD2 LYS 25 HD3 LYS 25 2.610 -7.743 -2.987
163 HD3 LYS 25 HD2 LYS 25 3.165 -7.898 -4.674
164 HE2 LYS 25 HE3 LYS 25 1.099 -9.151 -5.218
165 HE3 LYS 25 HE2 LYS 25 0.561 -8.998 -3.533
166 HZ1 LYS 25 HZ1 LYS 25 0.556 -6.630 -3.816
167 HZ2 LYS 25 HZ2 LYS 25 -0.425 -7.346 -4.932
168 HZ3 LYS 25 HZ3 LYS 25 1.054 -6.772 -5.382
169 H HIS 26 H HIS 26 7.332 -9.110 -3.425
170 HA HIS 26 HA HIS 26 8.854 -10.890 -1.832
171 HB2 HIS 26 HB3 HIS 26 9.695 -8.904 -3.981
172 HB3 HIS 26 HB2 HIS 26 10.726 -10.163 -3.304
173 HD1 HIS 26 HD1 HIS 26 10.476 -12.566 -4.327
174 HD2 HIS 26 HD2 HIS 26 7.513 -9.821 -5.483
175 HE1 HIS 26 HE1 HIS 26 9.134 -13.676 -6.193
176 H LYS 27 H LYS 27 8.524 -7.390 -1.738
177 HA LYS 27 HA LYS 27 9.572 -5.723 -0.777
178 HB2 LYS 27 HB3 LYS 27 8.516 -6.962 1.176
179 HB3 LYS 27 HB2 LYS 27 10.121 -7.556 1.566
180 HG2 LYS 27 HG3 LYS 27 9.566 -5.617 2.933
181 HG3 LYS 27 HG2 LYS 27 10.923 -5.231 1.887
182 HD2 LYS 27 HD3 LYS 27 9.374 -3.357 2.047
183 HD3 LYS 27 HD2 LYS 27 9.439 -3.939 0.392
184 HE2 LYS 27 HE3 LYS 27 7.324 -5.185 0.733
185 HE3 LYS 27 HE2 LYS 27 7.255 -4.595 2.407
186 HZ1 LYS 27 HZ1 LYS 27 5.916 -3.283 0.942
187 HZ2 LYS 27 HZ2 LYS 27 7.216 -2.927 -0.009
188 HZ3 LYS 27 HZ3 LYS 27 7.152 -2.372 1.543
189 H TRP 28 H TRP 28 11.036 -6.563 -2.673
190 HA TRP 28 HA TRP 28 13.637 -5.661 -1.757
191 HB2 TRP 28 HB3 TRP 28 14.938 -7.208 -3.055
192 HB3 TRP 28 HB2 TRP 28 14.040 -8.024 -1.804
193 HD1 TRP 28 HD1 TRP 28 12.217 -7.457 -5.160
194 HE1 TRP 28 HE1 TRP 28 11.973 -9.656 -6.353
195 HE3 TRP 28 HE3 TRP 28 15.214 -10.269 -2.158
196 HZ2 TRP 28 HZ2 TRP 28 12.922 -12.399 -6.034
197 HZ3 TRP 28 HZ3 TRP 28 15.541 -12.694 -2.626
198 HH2 TRP 28 HH2 TRP 28 14.394 -13.762 -4.554
199 H CYS 29 H CYS 29 14.998 -5.005 -3.628
200 HA CYS 29 HA CYS 29 13.512 -3.186 -5.308
201 HB2 CYS 29 HB3 CYS 29 16.420 -4.029 -5.329
202 HB3 CYS 29 HB2 CYS 29 15.752 -2.649 -6.190
203 H LYS 30 H LYS 30 12.748 -3.507 -7.315
204 HA LYS 30 HA LYS 30 13.972 -5.473 -9.100
205 HB2 LYS 30 HB3 LYS 30 11.766 -6.371 -9.806
206 HB3 LYS 30 HB2 LYS 30 12.308 -6.892 -8.215
207 HG2 LYS 30 HG3 LYS 30 10.713 -5.547 -7.092
208 HG3 LYS 30 HG2 LYS 30 10.383 -4.563 -8.520
209 HD2 LYS 30 HD3 LYS 30 8.550 -6.182 -7.994
210 HD3 LYS 30 HD2 LYS 30 9.209 -6.310 -9.618
211 HE2 LYS 30 HE3 LYS 30 8.799 -8.526 -8.726
212 HE3 LYS 30 HE2 LYS 30 10.535 -8.284 -8.969
213 HZ1 LYS 30 HZ1 LYS 30 10.065 -9.337 -6.894
214 HZ2 LYS 30 HZ2 LYS 30 9.115 -8.079 -6.410
215 HZ3 LYS 30 HZ3 LYS 30 10.733 -7.852 -6.631
216 H VAL 31 H VAL 31 13.434 -5.177 -11.302
217 HA VAL 31 HA VAL 31 14.064 -2.610 -11.973
218 HB VAL 31 HB VAL 31 12.912 -4.660 -13.888
219 HG11 VAL 31 HG11 VAL 31 14.928 -2.395 -14.272
220 HG12 VAL 31 HG12 VAL 31 13.249 -2.397 -14.851
221 HG13 VAL 31 HG13 VAL 31 14.411 -3.551 -15.518
222 HG21 VAL 31 HG21 VAL 31 15.758 -4.366 -12.812
223 HG22 VAL 31 HG22 VAL 31 14.678 -5.767 -12.618
224 HG23 VAL 31 HG23 VAL 31 15.304 -5.361 -14.214
225 H LEU 32 H LEU 32 13.033 -0.798 -12.004
226 HA LEU 32 HA LEU 32 10.213 -0.410 -12.040
227 HB2 LEU 32 HB3 LEU 32 11.693 1.181 -10.979
228 HB3 LEU 32 HB2 LEU 32 12.611 1.400 -12.453
229 HG LEU 32 HG LEU 32 10.618 2.519 -13.490
230 HD11 LEU 32 HD11 LEU 32 9.386 2.261 -10.708
231 HD12 LEU 32 HD12 LEU 32 8.802 1.453 -12.180
232 HD13 LEU 32 HD13 LEU 32 8.732 3.215 -12.055
233 HD21 LEU 32 HD21 LEU 32 10.802 4.592 -12.178
234 HD22 LEU 32 HD22 LEU 32 11.529 3.691 -10.829
235 HD23 LEU 32 HD23 LEU 32 12.386 3.825 -12.380
236 H LEU 33 H LEU 33 12.703 0.228 -14.443
237 HA LEU 33 HA LEU 33 10.741 0.887 -16.517
238 HB2 LEU 33 HB3 LEU 33 13.784 0.881 -16.526
239 HB3 LEU 33 HB2 LEU 33 12.765 1.460 -17.845
240 HG LEU 33 HG LEU 33 12.885 2.665 -15.036
241 HD11 LEU 33 HD11 LEU 33 14.019 4.544 -16.137
242 HD12 LEU 33 HD12 LEU 33 13.956 3.692 -17.696
243 HD13 LEU 33 HD13 LEU 33 14.930 3.041 -16.358
244 HD21 LEU 33 HD21 LEU 33 11.359 3.595 -17.512
245 HD22 LEU 33 HD22 LEU 33 11.566 4.535 -16.018
246 HD23 LEU 33 HD23 LEU 33 10.647 3.030 -15.983
247 HN1 NH2 34 HN1 AMD 34 9.688 -0.950 -17.195
248 HN2 NH2 34 HN2 AMD 34 10.499 -2.314 -17.931
Start of MODEL 4
1 H1 GLU 1 H1 AMN 0 24.166 3.924 1.160
2 H2 GLU 1 H2 AMN 0 25.313 4.911 0.503
3 H3 GLU 1 H3 AMN 0 23.715 5.181 0.193
4 HA GLU 1 HA GLU 1 24.770 4.213 -1.684
5 HB2 GLU 1 HB3 GLU 1 26.538 3.046 -0.428
6 HB3 GLU 1 HB2 GLU 1 25.353 1.901 0.207
7 HG2 GLU 1 HG3 GLU 1 26.634 0.969 -1.692
8 HG3 GLU 1 HG2 GLU 1 24.910 1.036 -2.040
9 H CYS 2 H CYS 2 23.169 3.765 -2.983
10 HA CYS 2 HA CYS 2 20.604 2.964 -2.097
11 HB2 CYS 2 HB3 CYS 2 19.978 3.090 -4.407
12 HB3 CYS 2 HB2 CYS 2 21.054 4.417 -4.023
13 H LYS 3 H LYS 3 19.414 1.096 -2.444
14 HA LYS 3 HA LYS 3 20.911 -1.396 -2.255
15 HB2 LYS 3 HB3 LYS 3 17.971 -0.640 -2.140
16 HB3 LYS 3 HB2 LYS 3 18.511 -2.320 -2.097
17 HG2 LYS 3 HG3 LYS 3 19.424 -0.203 -0.109
18 HG3 LYS 3 HG2 LYS 3 18.040 -1.273 0.142
19 HD2 LYS 3 HD3 LYS 3 19.527 -3.250 -0.028
20 HD3 LYS 3 HD2 LYS 3 20.934 -2.185 -0.198
21 HE2 LYS 3 HE3 LYS 3 19.027 -2.217 2.178
22 HE3 LYS 3 HE2 LYS 3 20.602 -3.026 2.124
23 HZ1 LYS 3 HZ1 LYS 3 20.165 -0.138 1.865
24 HZ2 LYS 3 HZ2 LYS 3 21.627 -0.898 1.812
25 HZ3 LYS 3 HZ3 LYS 3 20.738 -0.915 3.202
26 H GLY 4 H GLY 4 21.573 -2.503 -3.945
27 HA2 GLY 4 HA2 GLY 4 20.755 -1.998 -6.649
28 HA3 GLY 4 HA3 GLY 4 21.860 -3.250 -6.067
29 H PHE 5 H PHE 5 20.384 -4.053 -8.074
30 HA PHE 5 HA PHE 5 17.774 -4.836 -7.767
31 HB2 PHE 5 HB3 PHE 5 19.026 -4.539 -9.853
32 HB3 PHE 5 HB2 PHE 5 20.106 -5.859 -9.436
33 HD1 PHE 5 HD1 PHE 5 16.356 -5.476 -9.393
34 HD2 PHE 5 HD2 PHE 5 19.771 -7.663 -10.864
35 HE1 PHE 5 HE1 PHE 5 14.839 -7.110 -10.489
36 HE2 PHE 5 HE2 PHE 5 18.250 -9.276 -11.977
37 HZ PHE 5 HZ PHE 5 15.796 -8.994 -11.778
38 H GLY 6 H GLY 6 16.854 -6.308 -6.516
39 HA2 GLY 6 HA2 GLY 6 16.377 -8.312 -5.574
40 HA3 GLY 6 HA3 GLY 6 17.899 -8.985 -6.165
41 H LYS 7 H LYS 7 17.601 -6.029 -4.155
42 HA LYS 7 HA LYS 7 18.616 -7.513 -1.774
43 HB2 LYS 7 HB3 LYS 7 19.287 -4.681 -2.657
44 HB3 LYS 7 HB2 LYS 7 19.687 -5.400 -1.097
45 HG2 LYS 7 HG3 LYS 7 20.985 -7.196 -2.269
46 HG3 LYS 7 HG2 LYS 7 20.703 -6.350 -3.809
47 HD2 LYS 7 HD3 LYS 7 21.821 -4.339 -2.919
48 HD3 LYS 7 HD2 LYS 7 22.062 -5.146 -1.354
49 HE2 LYS 7 HE3 LYS 7 23.476 -6.848 -2.398
50 HE3 LYS 7 HE2 LYS 7 23.196 -6.151 -4.002
51 HZ1 LYS 7 HZ1 LYS 7 24.268 -4.153 -3.250
52 HZ2 LYS 7 HZ2 LYS 7 25.274 -5.449 -3.078
53 HZ3 LYS 7 HZ3 LYS 7 24.526 -4.804 -1.757
54 H SER 8 H SER 8 17.698 -7.109 0.126
55 HA SER 8 HA SER 8 14.956 -6.375 0.146
56 HB2 SER 8 HB3 SER 8 15.965 -8.066 1.635
57 HB3 SER 8 HB2 SER 8 16.871 -6.791 2.477
58 HG SER 8 HG SER 8 14.839 -5.847 3.001
59 H CYS 9 H CYS 9 14.093 -4.433 0.156
60 HA CYS 9 HA CYS 9 15.714 -2.049 0.556
61 HB2 CYS 9 HB3 CYS 9 13.875 -0.887 -0.394
62 HB3 CYS 9 HB2 CYS 9 14.063 -2.368 -1.302
63 H VAL 10 H VAL 10 14.710 -0.191 1.636
64 HA VAL 10 HA VAL 10 13.525 -0.575 4.279
65 HB VAL 10 HB VAL 10 14.156 1.816 2.500
66 HG11 VAL 10 HG11 VAL 10 12.067 2.401 3.628
67 HG12 VAL 10 HG12 VAL 10 13.404 3.279 4.370
68 HG13 VAL 10 HG13 VAL 10 12.718 1.857 5.189
69 HG21 VAL 10 HG21 VAL 10 15.693 2.402 4.324
70 HG22 VAL 10 HG22 VAL 10 16.034 0.757 3.758
71 HG23 VAL 10 HG23 VAL 10 15.141 1.002 5.272
72 HA PRO 11 HA PRO 11 9.553 -1.047 2.151
73 HB2 PRO 11 HB3 PRO 11 7.845 -1.078 4.290
74 HB3 PRO 11 HB2 PRO 11 8.924 -2.433 3.859
75 HG2 PRO 11 HG3 PRO 11 9.405 -0.270 5.926
76 HG3 PRO 11 HG2 PRO 11 9.619 -2.041 6.104
77 HD2 PRO 11 HD3 PRO 11 11.699 -0.366 5.541
78 HD3 PRO 11 HD2 PRO 11 11.616 -2.016 4.853
79 H GLY 12 H GLY 12 9.722 0.865 1.079
80 HA2 GLY 12 HA2 GLY 12 7.724 2.709 1.090
81 HA3 GLY 12 HA3 GLY 12 8.936 3.439 2.152
82 H LYS 13 H LYS 13 10.442 1.439 -0.225
83 HA LYS 13 HA LYS 13 11.678 1.742 -1.991
84 HB2 LYS 13 HB3 LYS 13 9.648 3.867 -2.801
85 HB3 LYS 13 HB2 LYS 13 10.788 3.062 -3.877
86 HG2 LYS 13 HG3 LYS 13 9.677 0.940 -3.631
87 HG3 LYS 13 HG2 LYS 13 8.621 1.556 -2.349
88 HD2 LYS 13 HD3 LYS 13 7.544 3.110 -3.902
89 HD3 LYS 13 HD2 LYS 13 8.658 2.640 -5.191
90 HE2 LYS 13 HE3 LYS 13 6.528 1.530 -5.524
91 HE3 LYS 13 HE2 LYS 13 7.765 0.329 -5.126
92 HZ1 LYS 13 HZ1 LYS 13 5.732 -0.058 -3.950
93 HZ2 LYS 13 HZ2 LYS 13 5.785 1.441 -3.263
94 HZ3 LYS 13 HZ3 LYS 13 6.933 0.319 -2.885
95 H ASN 14 H ASN 14 12.284 3.273 0.412
96 HA ASN 14 HA ASN 14 13.161 5.893 -0.371
97 HB2 ASN 14 HB3 ASN 14 13.699 4.309 2.172
98 HB3 ASN 14 HB2 ASN 14 14.036 6.020 1.937
99 HD21 ASN 14 HD21 ASN 14 12.134 7.454 1.321
100 HD22 ASN 14 HD22 ASN 14 10.583 7.077 2.038
101 H GLU 15 H GLU 15 14.620 2.797 -0.722
102 HA GLU 15 HA GLU 15 17.367 3.967 -0.697
103 HB2 GLU 15 HB3 GLU 15 16.398 1.204 0.084
104 HB3 GLU 15 HB2 GLU 15 18.091 1.619 -0.182
105 HG2 GLU 15 HG3 GLU 15 16.300 2.930 1.896
106 HG3 GLU 15 HG2 GLU 15 17.513 1.681 2.202
107 H CYS 16 H CYS 16 15.200 1.780 -2.584
108 HA CYS 16 HA CYS 16 17.167 0.548 -4.082
109 HB2 CYS 16 HB3 CYS 16 14.371 1.309 -4.968
110 HB3 CYS 16 HB2 CYS 16 15.418 0.128 -5.753
111 H CYS 17 H CYS 17 18.326 0.936 -5.893
112 HA CYS 17 HA CYS 17 19.133 3.554 -6.454
113 HB2 CYS 17 HB3 CYS 17 19.527 1.058 -8.137
114 HB3 CYS 17 HB2 CYS 17 20.468 2.532 -8.252
115 H SER 18 H SER 18 19.409 4.408 -8.734
116 HA SER 18 HA SER 18 16.849 5.167 -9.760
117 HB2 SER 18 HB3 SER 18 18.193 6.463 -11.397
118 HB3 SER 18 HB2 SER 18 18.623 6.760 -9.706
119 HG SER 18 HG SER 18 20.394 5.337 -9.995
120 H GLY 19 H GLY 19 15.681 3.606 -10.653
121 HA2 GLY 19 HA2 GLY 19 15.335 2.789 -13.088
122 HA3 GLY 19 HA3 GLY 19 16.776 1.813 -12.745
123 H LEU 20 H LEU 20 16.101 1.542 -9.896
124 HA LEU 20 HA LEU 20 14.289 -0.762 -10.047
125 HB2 LEU 20 HB3 LEU 20 16.061 0.309 -7.824
126 HB3 LEU 20 HB2 LEU 20 15.226 -1.245 -7.814
127 HG LEU 20 HG LEU 20 17.396 -0.469 -9.811
128 HD11 LEU 20 HD11 LEU 20 17.633 -2.236 -7.355
129 HD12 LEU 20 HD12 LEU 20 18.203 -0.562 -7.459
130 HD13 LEU 20 HD13 LEU 20 18.922 -1.796 -8.506
131 HD21 LEU 20 HD21 LEU 20 15.912 -2.223 -10.671
132 HD22 LEU 20 HD22 LEU 20 16.113 -3.162 -9.174
133 HD23 LEU 20 HD23 LEU 20 17.488 -2.901 -10.274
134 H THR 21 H THR 21 12.725 -1.120 -8.527
135 HA THR 21 HA THR 21 11.785 0.966 -6.703
136 HB THR 21 HB THR 21 10.558 1.398 -8.819
137 HG1 THR 21 HG1 THR 21 8.989 0.299 -6.739
138 HG21 THR 21 HG21 THR 21 9.249 -1.339 -8.460
139 HG22 THR 21 HG22 THR 21 10.436 -0.949 -9.724
140 HG23 THR 21 HG23 THR 21 8.873 -0.121 -9.682
141 H CYS 22 H CYS 22 11.045 0.051 -4.792
142 HA CYS 22 HA CYS 22 11.511 -2.768 -4.503
143 HB2 CYS 22 HB3 CYS 22 11.968 -0.981 -2.755
144 HB3 CYS 22 HB2 CYS 22 10.237 -1.010 -2.402
145 H SER 23 H SER 23 10.149 -4.372 -4.844
146 HA SER 23 HA SER 23 7.356 -4.220 -5.332
147 HB2 SER 23 HB3 SER 23 8.898 -6.070 -5.989
148 HB3 SER 23 HB2 SER 23 9.068 -6.516 -4.285
149 HG SER 23 HG SER 23 6.791 -6.859 -4.265
150 H ASN 24 H ASN 24 5.606 -4.445 -3.961
151 HA ASN 24 HA ASN 24 5.932 -4.055 -1.100
152 HB2 ASN 24 HB3 ASN 24 3.477 -4.654 -2.804
153 HB3 ASN 24 HB2 ASN 24 3.458 -4.231 -1.090
154 HD21 ASN 24 HD21 ASN 24 4.533 -2.087 -0.489
155 HD22 ASN 24 HD22 ASN 24 4.343 -0.756 -1.609
156 H LYS 25 H LYS 25 4.897 -6.749 -3.256
157 HA LYS 25 HA LYS 25 4.322 -8.580 -1.153
158 HB2 LYS 25 HB3 LYS 25 3.424 -8.459 -3.552
159 HB3 LYS 25 HB2 LYS 25 4.887 -9.269 -4.068
160 HG2 LYS 25 HG3 LYS 25 2.810 -10.299 -2.076
161 HG3 LYS 25 HG2 LYS 25 2.938 -10.775 -3.762
162 HD2 LYS 25 HD3 LYS 25 4.939 -11.424 -1.563
163 HD3 LYS 25 HD2 LYS 25 3.792 -12.526 -2.319
164 HE2 LYS 25 HE3 LYS 25 4.906 -12.272 -4.494
165 HE3 LYS 25 HE2 LYS 25 6.043 -11.109 -3.791
166 HZ1 LYS 25 HZ1 LYS 25 5.774 -13.915 -2.994
167 HZ2 LYS 25 HZ2 LYS 25 6.827 -12.824 -2.343
168 HZ3 LYS 25 HZ3 LYS 25 6.983 -13.280 -3.921
169 H HIS 26 H HIS 26 6.952 -8.741 -3.641
170 HA HIS 26 HA HIS 26 8.413 -10.780 -2.342
171 HB2 HIS 26 HB3 HIS 26 9.344 -8.751 -4.410
172 HB3 HIS 26 HB2 HIS 26 10.181 -10.233 -3.967
173 HD1 HIS 26 HD1 HIS 26 6.867 -9.179 -5.675
174 HD2 HIS 26 HD2 HIS 26 9.464 -12.446 -5.193
175 HE1 HIS 26 HE1 HIS 26 6.051 -11.003 -7.263
176 H LYS 27 H LYS 27 8.461 -7.300 -1.911
177 HA LYS 27 HA LYS 27 9.633 -5.873 -0.719
178 HB2 LYS 27 HB3 LYS 27 8.498 -7.280 0.998
179 HB3 LYS 27 HB2 LYS 27 10.001 -8.158 1.236
180 HG2 LYS 27 HG3 LYS 27 9.543 -6.395 2.944
181 HG3 LYS 27 HG2 LYS 27 11.093 -6.203 2.143
182 HD2 LYS 27 HD3 LYS 27 9.962 -4.048 2.480
183 HD3 LYS 27 HD2 LYS 27 10.233 -4.384 0.774
184 HE2 LYS 27 HE3 LYS 27 7.866 -5.152 0.561
185 HE3 LYS 27 HE2 LYS 27 7.601 -4.726 2.264
186 HZ1 LYS 27 HZ1 LYS 27 8.156 -2.469 1.706
187 HZ2 LYS 27 HZ2 LYS 27 6.896 -2.999 0.782
188 HZ3 LYS 27 HZ3 LYS 27 8.405 -2.877 0.128
189 H TRP 28 H TRP 28 11.042 -6.493 -2.769
190 HA TRP 28 HA TRP 28 13.668 -5.804 -1.790
191 HB2 TRP 28 HB3 TRP 28 14.952 -7.349 -3.046
192 HB3 TRP 28 HB2 TRP 28 13.892 -8.241 -1.994
193 HD1 TRP 28 HD1 TRP 28 11.787 -7.531 -4.916
194 HE1 TRP 28 HE1 TRP 28 11.813 -9.408 -6.597
195 HE3 TRP 28 HE3 TRP 28 15.858 -10.071 -3.162
196 HZ2 TRP 28 HZ2 TRP 28 13.424 -11.763 -7.165
197 HZ3 TRP 28 HZ3 TRP 28 16.628 -12.129 -4.309
198 HH2 TRP 28 HH2 TRP 28 15.422 -12.982 -6.306
199 H CYS 29 H CYS 29 15.052 -4.941 -3.547
200 HA CYS 29 HA CYS 29 13.603 -3.144 -5.264
201 HB2 CYS 29 HB3 CYS 29 16.532 -3.910 -5.213
202 HB3 CYS 29 HB2 CYS 29 15.835 -2.518 -6.041
203 H LYS 30 H LYS 30 12.972 -3.405 -7.328
204 HA LYS 30 HA LYS 30 14.253 -5.381 -9.055
205 HB2 LYS 30 HB3 LYS 30 12.140 -6.359 -9.801
206 HB3 LYS 30 HB2 LYS 30 12.556 -6.757 -8.139
207 HG2 LYS 30 HG3 LYS 30 10.875 -5.227 -7.275
208 HG3 LYS 30 HG2 LYS 30 10.576 -4.556 -8.886
209 HD2 LYS 30 HD3 LYS 30 8.793 -6.110 -8.276
210 HD3 LYS 30 HD2 LYS 30 9.700 -6.702 -9.669
211 HE2 LYS 30 HE3 LYS 30 10.991 -8.224 -8.178
212 HE3 LYS 30 HE2 LYS 30 10.046 -7.650 -6.791
213 HZ1 LYS 30 HZ1 LYS 30 8.088 -8.478 -7.879
214 HZ2 LYS 30 HZ2 LYS 30 9.192 -9.685 -7.676
215 HZ3 LYS 30 HZ3 LYS 30 8.976 -9.007 -9.164
216 H VAL 31 H VAL 31 13.992 -5.016 -11.243
217 HA VAL 31 HA VAL 31 14.095 -2.295 -11.913
218 HB VAL 31 HB VAL 31 13.693 -4.559 -13.901
219 HG11 VAL 31 HG11 VAL 31 15.225 -1.919 -14.055
220 HG12 VAL 31 HG12 VAL 31 13.636 -2.219 -14.786
221 HG13 VAL 31 HG13 VAL 31 15.053 -3.112 -15.361
222 HG21 VAL 31 HG21 VAL 31 16.303 -3.679 -12.582
223 HG22 VAL 31 HG22 VAL 31 15.525 -5.271 -12.434
224 HG23 VAL 31 HG23 VAL 31 16.172 -4.754 -13.988
225 H LEU 32 H LEU 32 12.568 -0.872 -12.140
226 HA LEU 32 HA LEU 32 9.807 -1.250 -12.120
227 HB2 LEU 32 HB3 LEU 32 10.802 0.831 -11.462
228 HB3 LEU 32 HB2 LEU 32 11.618 1.004 -12.998
229 HG LEU 32 HG LEU 32 9.416 1.389 -14.123
230 HD11 LEU 32 HD11 LEU 32 7.405 1.833 -12.796
231 HD12 LEU 32 HD12 LEU 32 8.262 1.428 -11.297
232 HD13 LEU 32 HD13 LEU 32 7.936 0.171 -12.512
233 HD21 LEU 32 HD21 LEU 32 9.071 3.650 -13.218
234 HD22 LEU 32 HD22 LEU 32 10.003 3.225 -11.764
235 HD23 LEU 32 HD23 LEU 32 10.796 3.273 -13.354
236 H LEU 33 H LEU 33 11.948 -0.647 -14.838
237 HA LEU 33 HA LEU 33 9.889 -0.889 -16.888
238 HB2 LEU 33 HB3 LEU 33 12.930 -0.827 -17.068
239 HB3 LEU 33 HB2 LEU 33 11.831 -0.796 -18.447
240 HG LEU 33 HG LEU 33 12.054 1.363 -16.295
241 HD11 LEU 33 HD11 LEU 33 13.002 2.727 -18.102
242 HD12 LEU 33 HD12 LEU 33 12.868 1.361 -19.231
243 HD13 LEU 33 HD13 LEU 33 13.973 1.268 -17.842
244 HD21 LEU 33 HD21 LEU 33 10.571 2.704 -17.790
245 HD22 LEU 33 HD22 LEU 33 9.741 1.311 -17.095
246 HD23 LEU 33 HD23 LEU 33 10.293 1.258 -18.786
247 HN1 NH2 34 HN1 AMD 34 9.021 -2.783 -17.493
248 HN2 NH2 34 HN2 AMD 34 9.833 -4.333 -17.467
Start of MODEL 5
1 H1 GLU 1 H1 AMN 0 24.350 3.571 1.097
2 H2 GLU 1 H2 AMN 0 25.558 4.466 0.417
3 H3 GLU 1 H3 AMN 0 23.981 4.855 0.129
4 HA GLU 1 HA GLU 1 24.930 3.800 -1.758
5 HB2 GLU 1 HB3 GLU 1 26.627 2.512 -0.524
6 HB3 GLU 1 HB2 GLU 1 25.372 1.465 0.144
7 HG2 GLU 1 HG3 GLU 1 26.547 0.421 -1.764
8 HG3 GLU 1 HG2 GLU 1 24.827 0.612 -2.083
9 H CYS 2 H CYS 2 23.252 3.525 -3.005
10 HA CYS 2 HA CYS 2 20.658 2.832 -2.102
11 HB2 CYS 2 HB3 CYS 2 20.027 3.008 -4.417
12 HB3 CYS 2 HB2 CYS 2 21.150 4.290 -4.011
13 H LYS 3 H LYS 3 19.380 1.018 -2.490
14 HA LYS 3 HA LYS 3 20.788 -1.535 -2.331
15 HB2 LYS 3 HB3 LYS 3 17.893 -0.648 -2.142
16 HB3 LYS 3 HB2 LYS 3 18.344 -2.353 -2.137
17 HG2 LYS 3 HG3 LYS 3 19.469 -0.338 -0.144
18 HG3 LYS 3 HG2 LYS 3 17.986 -1.258 0.131
19 HD2 LYS 3 HD3 LYS 3 19.222 -3.369 -0.013
20 HD3 LYS 3 HD2 LYS 3 20.738 -2.487 -0.322
21 HE2 LYS 3 HE3 LYS 3 20.495 -1.334 1.859
22 HE3 LYS 3 HE2 LYS 3 18.993 -2.229 2.163
23 HZ1 LYS 3 HZ1 LYS 3 20.860 -3.238 3.237
24 HZ2 LYS 3 HZ2 LYS 3 21.653 -3.417 1.802
25 HZ3 LYS 3 HZ3 LYS 3 20.258 -4.251 2.082
26 H GLY 4 H GLY 4 21.438 -2.569 -4.096
27 HA2 GLY 4 HA2 GLY 4 20.542 -1.974 -6.753
28 HA3 GLY 4 HA3 GLY 4 21.659 -3.248 -6.247
29 H PHE 5 H PHE 5 20.228 -4.118 -8.207
30 HA PHE 5 HA PHE 5 17.603 -4.913 -7.857
31 HB2 PHE 5 HB3 PHE 5 18.781 -4.625 -9.982
32 HB3 PHE 5 HB2 PHE 5 19.903 -5.920 -9.581
33 HD1 PHE 5 HD1 PHE 5 16.175 -5.410 -9.625
34 HD2 PHE 5 HD2 PHE 5 19.502 -7.946 -10.670
35 HE1 PHE 5 HE1 PHE 5 14.597 -7.107 -10.531
36 HE2 PHE 5 HE2 PHE 5 17.926 -9.623 -11.598
37 HZ PHE 5 HZ PHE 5 15.486 -9.199 -11.513
38 H GLY 6 H GLY 6 16.785 -6.319 -6.482
39 HA2 GLY 6 HA2 GLY 6 16.322 -8.356 -5.569
40 HA3 GLY 6 HA3 GLY 6 17.871 -8.998 -6.122
41 H LYS 7 H LYS 7 17.729 -5.970 -4.266
42 HA LYS 7 HA LYS 7 18.746 -7.367 -1.831
43 HB2 LYS 7 HB3 LYS 7 19.509 -4.661 -2.980
44 HB3 LYS 7 HB2 LYS 7 19.767 -5.116 -1.311
45 HG2 LYS 7 HG3 LYS 7 21.812 -5.407 -2.464
46 HG3 LYS 7 HG2 LYS 7 21.208 -6.980 -1.940
47 HD2 LYS 7 HD3 LYS 7 20.554 -7.546 -4.219
48 HD3 LYS 7 HD2 LYS 7 20.878 -5.891 -4.763
49 HE2 LYS 7 HE3 LYS 7 22.699 -7.298 -5.465
50 HE3 LYS 7 HE2 LYS 7 23.294 -6.237 -4.177
51 HZ1 LYS 7 HZ1 LYS 7 24.015 -8.485 -3.886
52 HZ2 LYS 7 HZ2 LYS 7 22.460 -9.034 -3.857
53 HZ3 LYS 7 HZ3 LYS 7 23.012 -8.054 -2.650
54 H SER 8 H SER 8 17.716 -7.055 -0.049
55 HA SER 8 HA SER 8 15.039 -6.284 -0.004
56 HB2 SER 8 HB3 SER 8 16.080 -7.923 1.510
57 HB3 SER 8 HB2 SER 8 16.950 -6.615 2.339
58 HG SER 8 HG SER 8 15.005 -7.190 3.396
59 H CYS 9 H CYS 9 14.041 -4.397 0.112
60 HA CYS 9 HA CYS 9 15.541 -1.927 0.461
61 HB2 CYS 9 HB3 CYS 9 13.602 -0.847 -0.357
62 HB3 CYS 9 HB2 CYS 9 13.809 -2.292 -1.310
63 H VAL 10 H VAL 10 14.623 -0.162 1.653
64 HA VAL 10 HA VAL 10 13.423 -0.609 4.290
65 HB VAL 10 HB VAL 10 14.116 1.812 2.585
66 HG11 VAL 10 HG11 VAL 10 12.021 2.448 3.643
67 HG12 VAL 10 HG12 VAL 10 13.346 3.250 4.483
68 HG13 VAL 10 HG13 VAL 10 12.577 1.825 5.215
69 HG21 VAL 10 HG21 VAL 10 15.617 2.355 4.441
70 HG22 VAL 10 HG22 VAL 10 15.943 0.704 3.890
71 HG23 VAL 10 HG23 VAL 10 15.012 0.967 5.377
72 HA PRO 11 HA PRO 11 9.462 -0.932 2.088
73 HB2 PRO 11 HB3 PRO 11 7.731 -1.029 4.197
74 HB3 PRO 11 HB2 PRO 11 8.811 -2.378 3.742
75 HG2 PRO 11 HG3 PRO 11 9.274 -0.284 5.885
76 HG3 PRO 11 HG2 PRO 11 9.462 -2.063 6.012
77 HD2 PRO 11 HD3 PRO 11 11.572 -0.394 5.530
78 HD3 PRO 11 HD2 PRO 11 11.483 -2.026 4.803
79 H GLY 12 H GLY 12 9.710 1.028 1.110
80 HA2 GLY 12 HA2 GLY 12 7.810 3.013 1.281
81 HA3 GLY 12 HA3 GLY 12 9.141 3.581 2.301
82 H LYS 13 H LYS 13 10.471 1.622 -0.159
83 HA LYS 13 HA LYS 13 11.742 1.952 -1.897
84 HB2 LYS 13 HB3 LYS 13 9.690 4.047 -2.712
85 HB3 LYS 13 HB2 LYS 13 10.883 3.292 -3.774
86 HG2 LYS 13 HG3 LYS 13 9.873 1.093 -3.442
87 HG3 LYS 13 HG2 LYS 13 8.698 1.760 -2.295
88 HD2 LYS 13 HD3 LYS 13 7.739 3.188 -4.065
89 HD3 LYS 13 HD2 LYS 13 8.937 2.576 -5.216
90 HE2 LYS 13 HE3 LYS 13 6.848 1.405 -5.570
91 HE3 LYS 13 HE2 LYS 13 8.040 0.274 -4.908
92 HZ1 LYS 13 HZ1 LYS 13 7.021 0.566 -2.766
93 HZ2 LYS 13 HZ2 LYS 13 5.912 0.041 -3.869
94 HZ3 LYS 13 HZ3 LYS 13 5.916 1.620 -3.390
95 H ASN 14 H ASN 14 12.407 3.329 0.498
96 HA ASN 14 HA ASN 14 13.345 5.974 -0.095
97 HB2 ASN 14 HB3 ASN 14 12.586 5.223 2.148
98 HB3 ASN 14 HB2 ASN 14 13.974 4.140 2.255
99 HD21 ASN 14 HD21 ASN 14 15.709 4.936 3.349
100 HD22 ASN 14 HD22 ASN 14 16.072 6.633 3.571
101 H GLU 15 H GLU 15 14.654 2.812 -0.665
102 HA GLU 15 HA GLU 15 17.464 3.793 -0.589
103 HB2 GLU 15 HB3 GLU 15 16.257 1.037 -0.190
104 HB3 GLU 15 HB2 GLU 15 17.984 1.355 -0.356
105 HG2 GLU 15 HG3 GLU 15 16.232 2.539 1.828
106 HG3 GLU 15 HG2 GLU 15 17.287 1.132 2.002
107 H CYS 16 H CYS 16 15.177 1.901 -2.655
108 HA CYS 16 HA CYS 16 17.069 0.601 -4.138
109 HB2 CYS 16 HB3 CYS 16 14.354 1.553 -5.099
110 HB3 CYS 16 HB2 CYS 16 15.331 0.275 -5.820
111 H CYS 17 H CYS 17 18.307 0.911 -5.900
112 HA CYS 17 HA CYS 17 19.225 3.486 -6.556
113 HB2 CYS 17 HB3 CYS 17 19.560 0.903 -8.119
114 HB3 CYS 17 HB2 CYS 17 20.547 2.339 -8.284
115 H SER 18 H SER 18 19.542 4.209 -8.884
116 HA SER 18 HA SER 18 17.064 5.005 -10.027
117 HB2 SER 18 HB3 SER 18 19.910 5.102 -11.107
118 HB3 SER 18 HB2 SER 18 18.514 5.925 -11.832
119 HG SER 18 HG SER 18 19.497 6.315 -9.199
120 H GLY 19 H GLY 19 15.724 3.627 -10.944
121 HA2 GLY 19 HA2 GLY 19 15.083 2.586 -13.025
122 HA3 GLY 19 HA3 GLY 19 16.642 1.760 -13.081
123 H LEU 20 H LEU 20 15.171 1.978 -9.944
124 HA LEU 20 HA LEU 20 14.033 -0.762 -10.069
125 HB2 LEU 20 HB3 LEU 20 15.826 0.384 -7.906
126 HB3 LEU 20 HB2 LEU 20 15.052 -1.196 -7.860
127 HG LEU 20 HG LEU 20 17.180 -0.360 -9.870
128 HD11 LEU 20 HD11 LEU 20 17.971 -0.489 -7.495
129 HD12 LEU 20 HD12 LEU 20 18.730 -1.678 -8.566
130 HD13 LEU 20 HD13 LEU 20 17.441 -2.177 -7.444
131 HD21 LEU 20 HD21 LEU 20 15.957 -3.091 -9.256
132 HD22 LEU 20 HD22 LEU 20 17.356 -2.805 -10.319
133 HD23 LEU 20 HD23 LEU 20 15.778 -2.163 -10.759
134 H THR 21 H THR 21 12.680 -1.224 -8.232
135 HA THR 21 HA THR 21 11.514 0.888 -6.635
136 HB THR 21 HB THR 21 10.373 1.247 -8.809
137 HG1 THR 21 HG1 THR 21 8.281 1.109 -7.955
138 HG21 THR 21 HG21 THR 21 8.780 -0.338 -9.742
139 HG22 THR 21 HG22 THR 21 9.168 -1.543 -8.511
140 HG23 THR 21 HG23 THR 21 10.382 -1.085 -9.726
141 H CYS 22 H CYS 22 10.720 -0.015 -4.737
142 HA CYS 22 HA CYS 22 11.357 -2.772 -4.382
143 HB2 CYS 22 HB3 CYS 22 11.668 -0.979 -2.660
144 HB3 CYS 22 HB2 CYS 22 9.924 -1.068 -2.342
145 H SER 23 H SER 23 10.196 -4.496 -4.587
146 HA SER 23 HA SER 23 7.595 -4.754 -5.536
147 HB2 SER 23 HB3 SER 23 9.470 -6.415 -5.594
148 HB3 SER 23 HB2 SER 23 9.255 -6.693 -3.868
149 HG SER 23 HG SER 23 7.103 -7.356 -4.346
150 H ASN 24 H ASN 24 5.611 -5.065 -4.601
151 HA ASN 24 HA ASN 24 5.080 -4.437 -1.846
152 HB2 ASN 24 HB3 ASN 24 3.458 -4.017 -3.618
153 HB3 ASN 24 HB2 ASN 24 3.404 -5.727 -4.041
154 HD21 ASN 24 HD21 ASN 24 1.625 -6.765 -3.247
155 HD22 ASN 24 HD22 ASN 24 0.788 -6.362 -1.764
156 H LYS 25 H LYS 25 5.252 -7.497 -3.742
157 HA LYS 25 HA LYS 25 4.496 -9.219 -1.589
158 HB2 LYS 25 HB3 LYS 25 5.744 -9.682 -4.329
159 HB3 LYS 25 HB2 LYS 25 5.452 -10.987 -3.185
160 HG2 LYS 25 HG3 LYS 25 3.648 -10.984 -4.702
161 HG3 LYS 25 HG2 LYS 25 3.030 -10.437 -3.143
162 HD2 LYS 25 HD3 LYS 25 2.956 -8.121 -3.943
163 HD3 LYS 25 HD2 LYS 25 3.749 -8.588 -5.466
164 HE2 LYS 25 HE3 LYS 25 1.815 -10.041 -6.003
165 HE3 LYS 25 HE2 LYS 25 1.042 -9.577 -4.473
166 HZ1 LYS 25 HZ1 LYS 25 1.723 -7.754 -6.670
167 HZ2 LYS 25 HZ2 LYS 25 1.011 -7.320 -5.247
168 HZ3 LYS 25 HZ3 LYS 25 0.213 -8.305 -6.302
169 H HIS 26 H HIS 26 7.643 -9.135 -3.340
170 HA HIS 26 HA HIS 26 9.005 -10.702 -1.437
171 HB2 HIS 26 HB3 HIS 26 10.036 -8.851 -3.614
172 HB3 HIS 26 HB2 HIS 26 11.024 -10.024 -2.745
173 HD1 HIS 26 HD1 HIS 26 8.355 -9.851 -5.471
174 HD2 HIS 26 HD2 HIS 26 10.761 -12.613 -3.413
175 HE1 HIS 26 HE1 HIS 26 8.228 -12.045 -6.770
176 H LYS 27 H LYS 27 8.611 -7.196 -1.629
177 HA LYS 27 HA LYS 27 9.684 -5.433 -0.813
178 HB2 LYS 27 HB3 LYS 27 9.840 -7.180 1.656
179 HB3 LYS 27 HB2 LYS 27 10.335 -5.489 1.640
180 HG2 LYS 27 HG3 LYS 27 7.545 -6.375 0.797
181 HG3 LYS 27 HG2 LYS 27 7.978 -5.963 2.458
182 HD2 LYS 27 HD3 LYS 27 8.623 -3.694 1.798
183 HD3 LYS 27 HD2 LYS 27 8.287 -4.047 0.100
184 HE2 LYS 27 HE3 LYS 27 5.920 -4.505 0.649
185 HE3 LYS 27 HE2 LYS 27 6.248 -4.137 2.354
186 HZ1 LYS 27 HZ1 LYS 27 6.864 -1.929 1.692
187 HZ2 LYS 27 HZ2 LYS 27 5.326 -2.270 1.204
188 HZ3 LYS 27 HZ3 LYS 27 6.558 -2.273 0.108
189 H TRP 28 H TRP 28 11.095 -6.386 -2.606
190 HA TRP 28 HA TRP 28 13.751 -5.609 -1.728
191 HB2 TRP 28 HB3 TRP 28 14.978 -7.231 -2.888
192 HB3 TRP 28 HB2 TRP 28 13.899 -8.062 -1.800
193 HD1 TRP 28 HD1 TRP 28 11.818 -7.465 -4.777
194 HE1 TRP 28 HE1 TRP 28 11.835 -9.417 -6.362
195 HE3 TRP 28 HE3 TRP 28 15.828 -9.966 -2.853
196 HZ2 TRP 28 HZ2 TRP 28 13.409 -11.827 -6.789
197 HZ3 TRP 28 HZ3 TRP 28 16.576 -12.097 -3.881
198 HH2 TRP 28 HH2 TRP 28 15.377 -13.033 -5.845
199 H CYS 29 H CYS 29 15.059 -4.778 -3.507
200 HA CYS 29 HA CYS 29 13.490 -3.056 -5.210
201 HB2 CYS 29 HB3 CYS 29 16.452 -3.631 -5.084
202 HB3 CYS 29 HB2 CYS 29 15.712 -2.293 -5.963
203 H LYS 30 H LYS 30 12.793 -3.422 -7.234
204 HA LYS 30 HA LYS 30 14.155 -5.378 -8.955
205 HB2 LYS 30 HB3 LYS 30 12.026 -6.392 -9.647
206 HB3 LYS 30 HB2 LYS 30 12.503 -6.762 -7.993
207 HG2 LYS 30 HG3 LYS 30 10.841 -5.265 -7.087
208 HG3 LYS 30 HG2 LYS 30 10.485 -4.580 -8.677
209 HD2 LYS 30 HD3 LYS 30 8.748 -6.171 -7.909
210 HD3 LYS 30 HD2 LYS 30 9.488 -6.632 -9.444
211 HE2 LYS 30 HE3 LYS 30 10.877 -8.314 -8.331
212 HE3 LYS 30 HE2 LYS 30 10.262 -7.818 -6.746
213 HZ1 LYS 30 HZ1 LYS 30 8.086 -8.493 -7.449
214 HZ2 LYS 30 HZ2 LYS 30 9.147 -9.749 -7.563
215 HZ3 LYS 30 HZ3 LYS 30 8.659 -8.955 -8.925
216 H VAL 31 H VAL 31 13.775 -5.132 -11.163
217 HA VAL 31 HA VAL 31 14.097 -2.507 -11.954
218 HB VAL 31 HB VAL 31 13.434 -4.936 -13.647
219 HG11 VAL 31 HG11 VAL 31 14.646 -2.246 -14.431
220 HG12 VAL 31 HG12 VAL 31 13.072 -2.892 -14.956
221 HG13 VAL 31 HG13 VAL 31 14.565 -3.680 -15.479
222 HG21 VAL 31 HG21 VAL 31 15.898 -5.010 -14.010
223 HG22 VAL 31 HG22 VAL 31 16.106 -3.659 -12.874
224 HG23 VAL 31 HG23 VAL 31 15.492 -5.225 -12.310
225 H LEU 32 H LEU 32 12.819 -0.895 -12.050
226 HA LEU 32 HA LEU 32 9.978 -0.921 -12.172
227 HB2 LEU 32 HB3 LEU 32 11.182 0.887 -11.110
228 HB3 LEU 32 HB2 LEU 32 12.116 1.196 -12.556
229 HG LEU 32 HG LEU 32 10.027 1.997 -13.702
230 HD11 LEU 32 HD11 LEU 32 8.334 0.722 -12.392
231 HD12 LEU 32 HD12 LEU 32 8.005 2.459 -12.385
232 HD13 LEU 32 HD13 LEU 32 8.729 1.696 -10.957
233 HD21 LEU 32 HD21 LEU 32 9.869 4.114 -12.460
234 HD22 LEU 32 HD22 LEU 32 10.664 3.366 -11.056
235 HD23 LEU 32 HD23 LEU 32 11.551 3.572 -12.584
236 H LEU 33 H LEU 33 12.435 -0.013 -14.521
237 HA LEU 33 HA LEU 33 10.473 0.407 -16.648
238 HB2 LEU 33 HB3 LEU 33 13.500 0.713 -16.569
239 HB3 LEU 33 HB2 LEU 33 12.476 1.165 -17.932
240 HG LEU 33 HG LEU 33 12.341 2.412 -15.143
241 HD11 LEU 33 HD11 LEU 33 13.349 4.379 -16.214
242 HD12 LEU 33 HD12 LEU 33 13.463 3.502 -17.757
243 HD13 LEU 33 HD13 LEU 33 14.413 2.970 -16.351
244 HD21 LEU 33 HD21 LEU 33 10.137 2.544 -16.221
245 HD22 LEU 33 HD22 LEU 33 10.879 3.157 -17.717
246 HD23 LEU 33 HD23 LEU 33 10.906 4.131 -16.231
247 HN1 NH2 34 HN1 AMD 34 9.633 -1.496 -17.404
248 HN2 NH2 34 HN2 AMD 34 10.598 -2.782 -18.095
Start of MODEL 6
1 H1 GLU 1 H1 AMN 0 23.894 7.080 -1.658
2 H2 GLU 1 H2 AMN 0 25.436 6.720 -2.119
3 H3 GLU 1 H3 AMN 0 24.188 6.508 -3.176
4 HA GLU 1 HA GLU 1 24.918 4.430 -2.334
5 HB2 GLU 1 HB3 GLU 1 25.767 5.350 -0.180
6 HB3 GLU 1 HB2 GLU 1 24.102 5.533 0.382
7 HG2 GLU 1 HG3 GLU 1 25.090 3.482 1.276
8 HG3 GLU 1 HG2 GLU 1 23.766 3.075 0.188
9 H CYS 2 H CYS 2 23.463 3.082 -3.045
10 HA CYS 2 HA CYS 2 20.624 3.313 -2.264
11 HB2 CYS 2 HB3 CYS 2 19.928 3.075 -4.552
12 HB3 CYS 2 HB2 CYS 2 20.982 4.465 -4.401
13 H LYS 3 H LYS 3 19.533 1.241 -3.515
14 HA LYS 3 HA LYS 3 20.963 -1.113 -2.399
15 HB2 LYS 3 HB3 LYS 3 19.124 -0.091 -1.029
16 HB3 LYS 3 HB2 LYS 3 17.988 -0.465 -2.310
17 HG2 LYS 3 HG3 LYS 3 17.868 -2.076 -0.502
18 HG3 LYS 3 HG2 LYS 3 18.413 -2.882 -1.974
19 HD2 LYS 3 HD3 LYS 3 20.665 -3.051 -1.169
20 HD3 LYS 3 HD2 LYS 3 20.388 -1.844 0.107
21 HE2 LYS 3 HE3 LYS 3 18.916 -3.342 1.306
22 HE3 LYS 3 HE2 LYS 3 18.999 -4.544 0.007
23 HZ1 LYS 3 HZ1 LYS 3 20.450 -5.084 1.814
24 HZ2 LYS 3 HZ2 LYS 3 21.252 -3.650 1.663
25 HZ3 LYS 3 HZ3 LYS 3 21.332 -4.771 0.456
26 H GLY 4 H GLY 4 21.508 -2.483 -3.962
27 HA2 GLY 4 HA2 GLY 4 20.680 -2.159 -6.643
28 HA3 GLY 4 HA3 GLY 4 21.707 -3.440 -5.991
29 H PHE 5 H PHE 5 20.202 -4.171 -8.025
30 HA PHE 5 HA PHE 5 17.569 -4.914 -7.685
31 HB2 PHE 5 HB3 PHE 5 18.724 -4.613 -9.804
32 HB3 PHE 5 HB2 PHE 5 19.869 -5.894 -9.419
33 HD1 PHE 5 HD1 PHE 5 16.123 -5.512 -9.412
34 HD2 PHE 5 HD2 PHE 5 19.536 -7.855 -10.623
35 HE1 PHE 5 HE1 PHE 5 14.604 -7.224 -10.395
36 HE2 PHE 5 HE2 PHE 5 18.018 -9.543 -11.623
37 HZ PHE 5 HZ PHE 5 15.563 -9.222 -11.494
38 H GLY 6 H GLY 6 16.633 -6.443 -6.570
39 HA2 GLY 6 HA2 GLY 6 16.145 -8.584 -5.859
40 HA3 GLY 6 HA3 GLY 6 17.816 -9.089 -6.118
41 H LYS 7 H LYS 7 18.158 -6.256 -4.432
42 HA LYS 7 HA LYS 7 18.680 -7.717 -1.938
43 HB2 LYS 7 HB3 LYS 7 19.339 -4.847 -2.670
44 HB3 LYS 7 HB2 LYS 7 19.980 -5.788 -1.327
45 HG2 LYS 7 HG3 LYS 7 20.533 -6.303 -4.277
46 HG3 LYS 7 HG2 LYS 7 21.619 -5.546 -3.114
47 HD2 LYS 7 HD3 LYS 7 21.656 -7.657 -1.780
48 HD3 LYS 7 HD2 LYS 7 20.620 -8.430 -3.005
49 HE2 LYS 7 HE3 LYS 7 22.326 -7.997 -4.735
50 HE3 LYS 7 HE2 LYS 7 23.363 -7.214 -3.526
51 HZ1 LYS 7 HZ1 LYS 7 22.490 -10.016 -3.474
52 HZ2 LYS 7 HZ2 LYS 7 23.453 -9.287 -2.351
53 HZ3 LYS 7 HZ3 LYS 7 23.990 -9.478 -3.899
54 H SER 8 H SER 8 17.606 -7.446 -0.082
55 HA SER 8 HA SER 8 14.949 -6.635 -0.125
56 HB2 SER 8 HB3 SER 8 15.885 -8.365 1.344
57 HB3 SER 8 HB2 SER 8 16.765 -7.127 2.264
58 HG SER 8 HG SER 8 14.770 -7.705 3.228
59 H CYS 9 H CYS 9 14.045 -4.691 -0.090
60 HA CYS 9 HA CYS 9 15.603 -2.308 0.326
61 HB2 CYS 9 HB3 CYS 9 13.689 -1.143 -0.454
62 HB3 CYS 9 HB2 CYS 9 13.824 -2.589 -1.413
63 H VAL 10 H VAL 10 14.761 -0.476 1.500
64 HA VAL 10 HA VAL 10 13.616 -0.853 4.170
65 HB VAL 10 HB VAL 10 14.253 1.554 2.413
66 HG11 VAL 10 HG11 VAL 10 12.218 2.187 3.587
67 HG12 VAL 10 HG12 VAL 10 13.583 2.973 4.379
68 HG13 VAL 10 HG13 VAL 10 12.845 1.537 5.120
69 HG21 VAL 10 HG21 VAL 10 15.831 2.086 4.230
70 HG22 VAL 10 HG22 VAL 10 16.154 0.468 3.582
71 HG23 VAL 10 HG23 VAL 10 15.303 0.647 5.131
72 HA PRO 11 HA PRO 11 9.619 -1.241 2.061
73 HB2 PRO 11 HB3 PRO 11 7.943 -1.425 4.204
74 HB3 PRO 11 HB2 PRO 11 9.060 -2.728 3.711
75 HG2 PRO 11 HG3 PRO 11 9.499 -0.640 5.864
76 HG3 PRO 11 HG2 PRO 11 9.743 -2.413 5.973
77 HD2 PRO 11 HD3 PRO 11 11.793 -0.682 5.459
78 HD3 PRO 11 HD2 PRO 11 11.732 -2.308 4.716
79 H GLY 12 H GLY 12 9.828 0.754 1.123
80 HA2 GLY 12 HA2 GLY 12 7.825 2.634 1.325
81 HA3 GLY 12 HA3 GLY 12 9.128 3.260 2.346
82 H LYS 13 H LYS 13 10.464 1.382 -0.212
83 HA LYS 13 HA LYS 13 11.690 1.804 -1.970
84 HB2 LYS 13 HB3 LYS 13 9.600 3.919 -2.637
85 HB3 LYS 13 HB2 LYS 13 10.756 3.208 -3.766
86 HG2 LYS 13 HG3 LYS 13 9.731 1.015 -3.547
87 HG3 LYS 13 HG2 LYS 13 8.620 1.600 -2.297
88 HD2 LYS 13 HD3 LYS 13 7.570 3.147 -3.893
89 HD3 LYS 13 HD2 LYS 13 8.723 2.668 -5.145
90 HE2 LYS 13 HE3 LYS 13 6.629 1.517 -5.528
91 HE3 LYS 13 HE2 LYS 13 7.858 0.339 -5.040
92 HZ1 LYS 13 HZ1 LYS 13 5.783 -0.027 -3.936
93 HZ2 LYS 13 HZ2 LYS 13 5.796 1.494 -3.296
94 HZ3 LYS 13 HZ3 LYS 13 6.937 0.395 -2.836
95 H ASN 14 H ASN 14 12.379 3.126 0.470
96 HA ASN 14 HA ASN 14 13.190 5.821 -0.065
97 HB2 ASN 14 HB3 ASN 14 12.495 4.975 2.163
98 HB3 ASN 14 HB2 ASN 14 13.934 3.956 2.224
99 HD21 ASN 14 HD21 ASN 14 15.440 4.805 3.573
100 HD22 ASN 14 HD22 ASN 14 15.799 6.508 3.754
101 H GLU 15 H GLU 15 14.683 2.721 -0.678
102 HA GLU 15 HA GLU 15 17.402 3.958 -0.800
103 HB2 GLU 15 HB3 GLU 15 16.542 1.204 0.135
104 HB3 GLU 15 HB2 GLU 15 18.214 1.699 -0.146
105 HG2 GLU 15 HG3 GLU 15 16.356 2.999 1.879
106 HG3 GLU 15 HG2 GLU 15 17.618 1.818 2.230
107 H CYS 16 H CYS 16 15.144 1.795 -2.582
108 HA CYS 16 HA CYS 16 17.046 0.478 -4.120
109 HB2 CYS 16 HB3 CYS 16 14.235 1.296 -4.901
110 HB3 CYS 16 HB2 CYS 16 15.226 0.124 -5.762
111 H CYS 17 H CYS 17 18.213 0.849 -5.892
112 HA CYS 17 HA CYS 17 19.066 3.431 -6.516
113 HB2 CYS 17 HB3 CYS 17 19.379 0.886 -8.141
114 HB3 CYS 17 HB2 CYS 17 20.348 2.335 -8.319
115 H SER 18 H SER 18 19.328 4.290 -8.765
116 HA SER 18 HA SER 18 16.796 5.012 -9.902
117 HB2 SER 18 HB3 SER 18 19.661 5.449 -10.843
118 HB3 SER 18 HB2 SER 18 18.223 6.194 -11.572
119 HG SER 18 HG SER 18 19.056 6.470 -8.873
120 H GLY 19 H GLY 19 15.641 3.505 -10.884
121 HA2 GLY 19 HA2 GLY 19 15.293 2.516 -13.146
122 HA3 GLY 19 HA3 GLY 19 16.843 1.697 -12.933
123 H LEU 20 H LEU 20 15.397 1.849 -9.915
124 HA LEU 20 HA LEU 20 14.088 -0.812 -10.115
125 HB2 LEU 20 HB3 LEU 20 15.811 0.247 -7.856
126 HB3 LEU 20 HB2 LEU 20 15.084 -1.353 -7.957
127 HG LEU 20 HG LEU 20 17.291 -0.292 -9.766
128 HD11 LEU 20 HD11 LEU 20 17.451 -2.341 -7.527
129 HD12 LEU 20 HD12 LEU 20 17.947 -0.646 -7.383
130 HD13 LEU 20 HD13 LEU 20 18.792 -1.713 -8.516
131 HD21 LEU 20 HD21 LEU 20 17.556 -2.679 -10.450
132 HD22 LEU 20 HD22 LEU 20 16.013 -1.998 -10.949
133 HD23 LEU 20 HD23 LEU 20 16.079 -3.086 -9.543
134 H THR 21 H THR 21 12.728 -1.247 -8.236
135 HA THR 21 HA THR 21 11.657 0.881 -6.620
136 HB THR 21 HB THR 21 10.489 1.310 -8.781
137 HG1 THR 21 HG1 THR 21 8.857 0.306 -6.708
138 HG21 THR 21 HG21 THR 21 9.067 -1.364 -8.398
139 HG22 THR 21 HG22 THR 21 10.307 -1.061 -9.636
140 HG23 THR 21 HG23 THR 21 8.786 -0.157 -9.662
141 H CYS 22 H CYS 22 10.848 -0.021 -4.725
142 HA CYS 22 HA CYS 22 11.339 -2.819 -4.439
143 HB2 CYS 22 HB3 CYS 22 11.777 -1.108 -2.666
144 HB3 CYS 22 HB2 CYS 22 10.033 -1.078 -2.343
145 H SER 23 H SER 23 10.058 -4.473 -4.688
146 HA SER 23 HA SER 23 7.315 -4.515 -5.351
147 HB2 SER 23 HB3 SER 23 9.036 -6.309 -5.726
148 HB3 SER 23 HB2 SER 23 9.042 -6.632 -3.991
149 HG SER 23 HG SER 23 7.635 -8.020 -5.150
150 H ASN 24 H ASN 24 5.480 -4.607 -4.093
151 HA ASN 24 HA ASN 24 5.526 -4.046 -1.277
152 HB2 ASN 24 HB3 ASN 24 3.690 -3.352 -2.759
153 HB3 ASN 24 HB2 ASN 24 3.300 -5.037 -3.111
154 HD21 ASN 24 HD21 ASN 24 3.645 -2.712 -0.366
155 HD22 ASN 24 HD22 ASN 24 2.383 -3.419 0.618
156 H LYS 25 H LYS 25 4.913 -7.028 -3.223
157 HA LYS 25 HA LYS 25 4.284 -8.679 -0.994
158 HB2 LYS 25 HB3 LYS 25 3.532 -9.033 -3.337
159 HB3 LYS 25 HB2 LYS 25 5.183 -9.466 -3.800
160 HG2 LYS 25 HG3 LYS 25 5.108 -11.382 -2.180
161 HG3 LYS 25 HG2 LYS 25 3.463 -10.905 -1.720
162 HD2 LYS 25 HD3 LYS 25 2.703 -11.295 -4.054
163 HD3 LYS 25 HD2 LYS 25 4.356 -11.775 -4.508
164 HE2 LYS 25 HE3 LYS 25 4.274 -13.626 -2.872
165 HE3 LYS 25 HE2 LYS 25 2.637 -13.137 -2.390
166 HZ1 LYS 25 HZ1 LYS 25 1.913 -13.588 -4.616
167 HZ2 LYS 25 HZ2 LYS 25 2.602 -14.931 -3.950
168 HZ3 LYS 25 HZ3 LYS 25 3.433 -14.044 -5.066
169 H HIS 26 H HIS 26 7.211 -8.728 -3.135
170 HA HIS 26 HA HIS 26 8.568 -10.642 -1.514
171 HB2 HIS 26 HB3 HIS 26 9.596 -8.826 -3.724
172 HB3 HIS 26 HB2 HIS 26 10.451 -10.211 -3.047
173 HD1 HIS 26 HD1 HIS 26 7.532 -9.407 -5.383
174 HD2 HIS 26 HD2 HIS 26 9.612 -12.676 -3.761
175 HE1 HIS 26 HE1 HIS 26 6.792 -11.468 -6.694
176 H LYS 27 H LYS 27 8.520 -7.123 -1.473
177 HA LYS 27 HA LYS 27 9.756 -5.519 -0.542
178 HB2 LYS 27 HB3 LYS 27 10.113 -7.543 1.689
179 HB3 LYS 27 HB2 LYS 27 10.558 -5.844 1.795
180 HG2 LYS 27 HG3 LYS 27 7.728 -6.874 1.340
181 HG3 LYS 27 HG2 LYS 27 8.409 -6.312 2.870
182 HD2 LYS 27 HD3 LYS 27 8.850 -4.063 1.766
183 HD3 LYS 27 HD2 LYS 27 7.920 -4.642 0.373
184 HE2 LYS 27 HE3 LYS 27 5.971 -5.057 1.860
185 HE3 LYS 27 HE2 LYS 27 6.897 -4.399 3.223
186 HZ1 LYS 27 HZ1 LYS 27 5.469 -2.766 2.244
187 HZ2 LYS 27 HZ2 LYS 27 6.189 -2.948 0.771
188 HZ3 LYS 27 HZ3 LYS 27 7.048 -2.333 2.038
189 H TRP 28 H TRP 28 10.994 -6.476 -2.574
190 HA TRP 28 HA TRP 28 13.724 -5.822 -1.820
191 HB2 TRP 28 HB3 TRP 28 14.787 -7.397 -3.290
192 HB3 TRP 28 HB2 TRP 28 13.944 -8.182 -1.981
193 HD1 TRP 28 HD1 TRP 28 11.895 -7.388 -5.170
194 HE1 TRP 28 HE1 TRP 28 11.359 -9.543 -6.351
195 HE3 TRP 28 HE3 TRP 28 14.888 -10.475 -2.460
196 HZ2 TRP 28 HZ2 TRP 28 12.081 -12.367 -6.117
197 HZ3 TRP 28 HZ3 TRP 28 14.958 -12.919 -2.955
198 HH2 TRP 28 HH2 TRP 28 13.552 -13.866 -4.772
199 H CYS 29 H CYS 29 14.993 -5.097 -3.647
200 HA CYS 29 HA CYS 29 13.491 -3.189 -5.249
201 HB2 CYS 29 HB3 CYS 29 16.414 -3.969 -5.228
202 HB3 CYS 29 HB2 CYS 29 15.740 -2.581 -6.069
203 H LYS 30 H LYS 30 12.794 -3.448 -7.309
204 HA LYS 30 HA LYS 30 14.007 -5.473 -9.044
205 HB2 LYS 30 HB3 LYS 30 11.829 -6.359 -9.760
206 HB3 LYS 30 HB2 LYS 30 12.294 -6.792 -8.119
207 HG2 LYS 30 HG3 LYS 30 10.709 -5.230 -7.170
208 HG3 LYS 30 HG2 LYS 30 10.371 -4.511 -8.751
209 HD2 LYS 30 HD3 LYS 30 8.569 -6.029 -8.023
210 HD3 LYS 30 HD2 LYS 30 9.316 -6.549 -9.536
211 HE2 LYS 30 HE3 LYS 30 10.622 -8.260 -8.358
212 HE3 LYS 30 HE2 LYS 30 9.992 -7.707 -6.798
213 HZ1 LYS 30 HZ1 LYS 30 7.808 -8.317 -7.535
214 HZ2 LYS 30 HZ2 LYS 30 8.825 -9.614 -7.600
215 HZ3 LYS 30 HZ3 LYS 30 8.396 -8.832 -8.988
216 H VAL 31 H VAL 31 13.732 -5.149 -11.222
217 HA VAL 31 HA VAL 31 14.180 -2.505 -11.895
218 HB VAL 31 HB VAL 31 13.563 -4.825 -13.761
219 HG11 VAL 31 HG11 VAL 31 15.045 -2.200 -14.253
220 HG12 VAL 31 HG12 VAL 31 13.482 -2.670 -14.962
221 HG13 VAL 31 HG13 VAL 31 14.947 -3.555 -15.396
222 HG21 VAL 31 HG21 VAL 31 15.446 -5.366 -12.268
223 HG22 VAL 31 HG22 VAL 31 16.034 -5.069 -13.901
224 HG23 VAL 31 HG23 VAL 31 16.229 -3.819 -12.654
225 H LEU 32 H LEU 32 12.835 -0.891 -11.881
226 HA LEU 32 HA LEU 32 10.086 -0.938 -12.768
227 HB2 LEU 32 HB3 LEU 32 10.853 0.710 -11.138
228 HB3 LEU 32 HB2 LEU 32 12.088 1.292 -12.238
229 HG LEU 32 HG LEU 32 10.331 2.168 -13.760
230 HD11 LEU 32 HD11 LEU 32 8.484 0.595 -13.322
231 HD12 LEU 32 HD12 LEU 32 7.963 2.254 -13.014
232 HD13 LEU 32 HD13 LEU 32 8.353 1.187 -11.650
233 HD21 LEU 32 HD21 LEU 32 9.981 3.042 -10.859
234 HD22 LEU 32 HD22 LEU 32 11.256 3.592 -11.969
235 HD23 LEU 32 HD23 LEU 32 9.563 3.994 -12.301
236 H LEU 33 H LEU 33 13.070 0.461 -14.009
237 HA LEU 33 HA LEU 33 12.340 -0.070 -16.822
238 HB2 LEU 33 HB3 LEU 33 11.512 2.176 -16.312
239 HB3 LEU 33 HB2 LEU 33 13.053 2.617 -15.576
240 HG LEU 33 HG LEU 33 14.178 2.407 -17.759
241 HD11 LEU 33 HD11 LEU 33 11.379 1.893 -18.875
242 HD12 LEU 33 HD12 LEU 33 12.749 0.760 -18.910
243 HD13 LEU 33 HD13 LEU 33 12.819 2.252 -19.852
244 HD21 LEU 33 HD21 LEU 33 13.289 4.584 -17.014
245 HD22 LEU 33 HD22 LEU 33 11.736 4.234 -17.804
246 HD23 LEU 33 HD23 LEU 33 13.209 4.437 -18.777
247 HN1 NH2 34 HN1 AMD 34 14.039 -1.107 -17.736
248 HN2 NH2 34 HN2 AMD 34 15.713 -0.936 -17.260
Start of MODEL 7
1 H1 GLU 1 H1 AMN 0 23.822 3.792 1.472
2 H2 GLU 1 H2 AMN 0 25.211 4.495 0.927
3 H3 GLU 1 H3 AMN 0 23.749 5.174 0.575
4 HA GLU 1 HA GLU 1 24.631 4.088 -1.314
5 HB2 GLU 1 HB3 GLU 1 24.993 1.694 -1.370
6 HB3 GLU 1 HB2 GLU 1 26.008 2.474 -0.173
7 HG2 GLU 1 HG3 GLU 1 25.334 0.496 0.862
8 HG3 GLU 1 HG2 GLU 1 24.324 1.722 1.612
9 H CYS 2 H CYS 2 23.303 3.155 -2.894
10 HA CYS 2 HA CYS 2 20.464 2.871 -2.145
11 HB2 CYS 2 HB3 CYS 2 19.944 3.151 -4.437
12 HB3 CYS 2 HB2 CYS 2 21.065 4.411 -3.970
13 H LYS 3 H LYS 3 19.329 1.003 -2.507
14 HA LYS 3 HA LYS 3 20.889 -1.465 -2.429
15 HB2 LYS 3 HB3 LYS 3 17.945 -0.776 -2.161
16 HB3 LYS 3 HB2 LYS 3 18.510 -2.443 -2.197
17 HG2 LYS 3 HG3 LYS 3 19.463 -0.363 -0.182
18 HG3 LYS 3 HG2 LYS 3 18.142 -1.502 0.102
19 HD2 LYS 3 HD3 LYS 3 19.712 -3.398 -0.164
20 HD3 LYS 3 HD2 LYS 3 21.052 -2.257 -0.426
21 HE2 LYS 3 HE3 LYS 3 20.583 -1.245 1.803
22 HE3 LYS 3 HE2 LYS 3 19.324 -2.466 2.070
23 HZ1 LYS 3 HZ1 LYS 3 21.391 -3.084 3.074
24 HZ2 LYS 3 HZ2 LYS 3 22.175 -3.006 1.625
25 HZ3 LYS 3 HZ3 LYS 3 21.009 -4.147 1.871
26 H GLY 4 H GLY 4 21.498 -2.535 -4.160
27 HA2 GLY 4 HA2 GLY 4 20.563 -1.981 -6.820
28 HA3 GLY 4 HA3 GLY 4 21.710 -3.229 -6.310
29 H PHE 5 H PHE 5 20.177 -4.051 -8.253
30 HA PHE 5 HA PHE 5 17.593 -4.888 -7.851
31 HB2 PHE 5 HB3 PHE 5 18.754 -4.588 -9.985
32 HB3 PHE 5 HB2 PHE 5 19.885 -5.877 -9.595
33 HD1 PHE 5 HD1 PHE 5 16.141 -5.476 -9.521
34 HD2 PHE 5 HD2 PHE 5 19.517 -7.815 -10.834
35 HE1 PHE 5 HE1 PHE 5 14.594 -7.143 -10.525
36 HE2 PHE 5 HE2 PHE 5 17.970 -9.471 -11.844
37 HZ PHE 5 HZ PHE 5 15.521 -9.127 -11.680
38 H GLY 6 H GLY 6 16.748 -6.378 -6.567
39 HA2 GLY 6 HA2 GLY 6 16.355 -8.386 -5.597
40 HA3 GLY 6 HA3 GLY 6 17.884 -9.019 -6.216
41 H LYS 7 H LYS 7 17.537 -6.045 -4.236
42 HA LYS 7 HA LYS 7 18.631 -7.474 -1.861
43 HB2 LYS 7 HB3 LYS 7 19.267 -4.633 -2.731
44 HB3 LYS 7 HB2 LYS 7 19.787 -5.439 -1.248
45 HG2 LYS 7 HG3 LYS 7 20.946 -7.182 -2.697
46 HG3 LYS 7 HG2 LYS 7 20.603 -6.136 -4.092
47 HD2 LYS 7 HD3 LYS 7 21.808 -4.259 -2.890
48 HD3 LYS 7 HD2 LYS 7 22.190 -5.401 -1.591
49 HE2 LYS 7 HE3 LYS 7 24.128 -5.306 -2.993
50 HE3 LYS 7 HE2 LYS 7 23.344 -6.863 -3.301
51 HZ1 LYS 7 HZ1 LYS 7 23.094 -4.455 -4.967
52 HZ2 LYS 7 HZ2 LYS 7 22.366 -5.905 -5.262
53 HZ3 LYS 7 HZ3 LYS 7 24.010 -5.782 -5.317
54 H SER 8 H SER 8 17.724 -7.069 0.041
55 HA SER 8 HA SER 8 14.990 -6.360 0.059
56 HB2 SER 8 HB3 SER 8 16.030 -8.039 1.544
57 HB3 SER 8 HB2 SER 8 16.897 -6.746 2.400
58 HG SER 8 HG SER 8 14.839 -5.858 2.916
59 H CYS 9 H CYS 9 13.984 -4.489 0.307
60 HA CYS 9 HA CYS 9 15.538 -2.038 0.674
61 HB2 CYS 9 HB3 CYS 9 13.636 -0.919 -0.177
62 HB3 CYS 9 HB2 CYS 9 13.857 -2.349 -1.149
63 H VAL 10 H VAL 10 14.661 -0.295 1.862
64 HA VAL 10 HA VAL 10 13.409 -0.743 4.477
65 HB VAL 10 HB VAL 10 14.315 1.684 2.879
66 HG11 VAL 10 HG11 VAL 10 12.887 1.744 5.565
67 HG12 VAL 10 HG12 VAL 10 12.281 2.409 4.030
68 HG13 VAL 10 HG13 VAL 10 13.705 3.118 4.786
69 HG21 VAL 10 HG21 VAL 10 15.889 2.000 4.738
70 HG22 VAL 10 HG22 VAL 10 16.068 0.360 4.097
71 HG23 VAL 10 HG23 VAL 10 15.181 0.620 5.609
72 HA PRO 11 HA PRO 11 9.376 -0.381 2.392
73 HB2 PRO 11 HB3 PRO 11 7.735 -0.046 4.562
74 HB3 PRO 11 HB2 PRO 11 8.464 -1.612 4.102
75 HG2 PRO 11 HG3 PRO 11 9.430 0.352 6.196
76 HG3 PRO 11 HG2 PRO 11 9.274 -1.426 6.332
77 HD2 PRO 11 HD3 PRO 11 11.645 -0.171 5.766
78 HD3 PRO 11 HD2 PRO 11 11.251 -1.779 5.104
79 H GLY 12 H GLY 12 9.583 1.420 1.250
80 HA2 GLY 12 HA2 GLY 12 8.448 3.904 1.703
81 HA3 GLY 12 HA3 GLY 12 10.148 4.004 2.226
82 H LYS 13 H LYS 13 10.948 1.831 0.349
83 HA LYS 13 HA LYS 13 11.781 1.417 -1.594
84 HB2 LYS 13 HB3 LYS 13 9.992 3.357 -3.075
85 HB3 LYS 13 HB2 LYS 13 10.694 1.837 -3.629
86 HG2 LYS 13 HG3 LYS 13 9.125 0.664 -1.957
87 HG3 LYS 13 HG2 LYS 13 8.348 2.235 -1.727
88 HD2 LYS 13 HD3 LYS 13 8.005 2.321 -4.253
89 HD3 LYS 13 HD2 LYS 13 8.492 0.618 -4.292
90 HE2 LYS 13 HE3 LYS 13 6.174 1.792 -2.695
91 HE3 LYS 13 HE2 LYS 13 6.027 0.916 -4.227
92 HZ1 LYS 13 HZ1 LYS 13 6.920 -1.009 -3.151
93 HZ2 LYS 13 HZ2 LYS 13 5.577 -0.477 -2.355
94 HZ3 LYS 13 HZ3 LYS 13 7.075 -0.197 -1.724
95 H ASN 14 H ASN 14 12.264 3.953 0.091
96 HA ASN 14 HA ASN 14 13.384 5.929 -1.531
97 HB2 ASN 14 HB3 ASN 14 14.380 6.774 0.577
98 HB3 ASN 14 HB2 ASN 14 12.663 6.414 0.712
99 HD21 ASN 14 HD21 ASN 14 15.853 5.681 1.928
100 HD22 ASN 14 HD22 ASN 14 15.367 4.491 3.115
101 H GLU 15 H GLU 15 14.694 2.952 -0.171
102 HA GLU 15 HA GLU 15 17.481 3.526 -0.468
103 HB2 GLU 15 HB3 GLU 15 15.862 0.974 -0.165
104 HB3 GLU 15 HB2 GLU 15 17.606 0.951 -0.402
105 HG2 GLU 15 HG3 GLU 15 16.227 2.422 1.869
106 HG3 GLU 15 HG2 GLU 15 16.951 0.813 1.983
107 H CYS 16 H CYS 16 15.214 1.635 -2.581
108 HA CYS 16 HA CYS 16 17.098 0.493 -4.162
109 HB2 CYS 16 HB3 CYS 16 14.329 1.387 -5.017
110 HB3 CYS 16 HB2 CYS 16 15.319 0.160 -5.804
111 H CYS 17 H CYS 17 18.307 0.932 -5.918
112 HA CYS 17 HA CYS 17 19.089 3.573 -6.491
113 HB2 CYS 17 HB3 CYS 17 19.549 1.076 -8.157
114 HB3 CYS 17 HB2 CYS 17 20.471 2.562 -8.246
115 H SER 18 H SER 18 19.369 4.344 -8.840
116 HA SER 18 HA SER 18 16.850 5.018 -9.964
117 HB2 SER 18 HB3 SER 18 18.206 6.045 -11.761
118 HB3 SER 18 HB2 SER 18 18.709 6.518 -10.132
119 HG SER 18 HG SER 18 20.396 4.977 -10.300
120 H GLY 19 H GLY 19 15.555 3.671 -10.930
121 HA2 GLY 19 HA2 GLY 19 14.912 2.555 -12.945
122 HA3 GLY 19 HA3 GLY 19 16.506 1.805 -13.046
123 H LEU 20 H LEU 20 14.981 2.013 -9.905
124 HA LEU 20 HA LEU 20 13.944 -0.760 -9.977
125 HB2 LEU 20 HB3 LEU 20 15.848 0.393 -7.907
126 HB3 LEU 20 HB2 LEU 20 15.034 -1.158 -7.772
127 HG LEU 20 HG LEU 20 17.024 -0.498 -9.974
128 HD11 LEU 20 HD11 LEU 20 18.686 -1.703 -8.695
129 HD12 LEU 20 HD12 LEU 20 17.508 -2.063 -7.410
130 HD13 LEU 20 HD13 LEU 20 18.035 -0.398 -7.688
131 HD21 LEU 20 HD21 LEU 20 15.917 -3.163 -8.970
132 HD22 LEU 20 HD22 LEU 20 17.131 -2.948 -10.254
133 HD23 LEU 20 HD23 LEU 20 15.484 -2.368 -10.494
134 H THR 21 H THR 21 12.529 -1.216 -8.275
135 HA THR 21 HA THR 21 11.639 0.830 -6.422
136 HB THR 21 HB THR 21 10.329 1.266 -8.556
137 HG1 THR 21 HG1 THR 21 8.395 1.450 -7.384
138 HG21 THR 21 HG21 THR 21 8.499 -0.155 -9.197
139 HG22 THR 21 HG22 THR 21 8.796 -1.278 -7.858
140 HG23 THR 21 HG23 THR 21 9.954 -1.171 -9.198
141 H CYS 22 H CYS 22 10.843 -0.140 -4.533
142 HA CYS 22 HA CYS 22 11.454 -2.920 -4.300
143 HB2 CYS 22 HB3 CYS 22 11.741 -1.138 -2.529
144 HB3 CYS 22 HB2 CYS 22 10.001 -1.280 -2.229
145 H SER 23 H SER 23 10.219 -4.657 -4.473
146 HA SER 23 HA SER 23 7.572 -4.749 -5.394
147 HB2 SER 23 HB3 SER 23 9.354 -6.508 -5.555
148 HB3 SER 23 HB2 SER 23 9.153 -6.838 -3.835
149 HG SER 23 HG SER 23 6.951 -7.337 -4.296
150 H ASN 24 H ASN 24 5.608 -5.038 -4.396
151 HA ASN 24 HA ASN 24 5.229 -4.388 -1.617
152 HB2 ASN 24 HB3 ASN 24 2.885 -4.881 -2.043
153 HB3 ASN 24 HB2 ASN 24 3.552 -3.819 -3.274
154 HD21 ASN 24 HD21 ASN 24 1.822 -6.735 -2.704
155 HD22 ASN 24 HD22 ASN 24 1.808 -7.334 -4.348
156 H LYS 25 H LYS 25 5.075 -7.437 -3.522
157 HA LYS 25 HA LYS 25 4.387 -9.087 -1.283
158 HB2 LYS 25 HB3 LYS 25 3.708 -9.509 -3.622
159 HB3 LYS 25 HB2 LYS 25 5.390 -9.797 -4.074
160 HG2 LYS 25 HG3 LYS 25 5.457 -11.737 -2.480
161 HG3 LYS 25 HG2 LYS 25 3.765 -11.422 -2.057
162 HD2 LYS 25 HD3 LYS 25 3.082 -11.829 -4.390
163 HD3 LYS 25 HD2 LYS 25 4.766 -12.090 -4.869
164 HE2 LYS 25 HE3 LYS 25 3.269 -13.768 -2.811
165 HE3 LYS 25 HE2 LYS 25 3.451 -14.199 -4.521
166 HZ1 LYS 25 HZ1 LYS 25 5.811 -14.225 -4.215
167 HZ2 LYS 25 HZ2 LYS 25 5.079 -15.274 -3.172
168 HZ3 LYS 25 HZ3 LYS 25 5.653 -13.829 -2.622
169 H HIS 26 H HIS 26 7.365 -8.986 -3.342
170 HA HIS 26 HA HIS 26 8.742 -10.858 -1.665
171 HB2 HIS 26 HB3 HIS 26 9.728 -9.137 -3.969
172 HB3 HIS 26 HB2 HIS 26 10.577 -10.518 -3.273
173 HD1 HIS 26 HD1 HIS 26 7.712 -9.715 -5.642
174 HD2 HIS 26 HD2 HIS 26 9.487 -13.004 -3.725
175 HE1 HIS 26 HE1 HIS 26 6.782 -11.808 -6.768
176 H LYS 27 H LYS 27 8.512 -7.394 -1.604
177 HA LYS 27 HA LYS 27 9.682 -5.709 -0.764
178 HB2 LYS 27 HB3 LYS 27 8.704 -6.874 1.239
179 HB3 LYS 27 HB2 LYS 27 10.307 -7.553 1.554
180 HG2 LYS 27 HG3 LYS 27 11.223 -5.214 1.704
181 HG3 LYS 27 HG2 LYS 27 9.603 -4.579 1.369
182 HD2 LYS 27 HD3 LYS 27 8.752 -5.640 3.436
183 HD3 LYS 27 HD2 LYS 27 10.366 -6.315 3.761
184 HE2 LYS 27 HE3 LYS 27 11.304 -4.032 3.877
185 HE3 LYS 27 HE2 LYS 27 9.704 -3.349 3.534
186 HZ1 LYS 27 HZ1 LYS 27 10.185 -3.343 5.862
187 HZ2 LYS 27 HZ2 LYS 27 10.405 -4.978 5.872
188 HZ3 LYS 27 HZ3 LYS 27 8.915 -4.348 5.553
189 H TRP 28 H TRP 28 11.070 -6.527 -2.742
190 HA TRP 28 HA TRP 28 13.723 -5.743 -1.877
191 HB2 TRP 28 HB3 TRP 28 14.974 -7.368 -3.022
192 HB3 TRP 28 HB2 TRP 28 13.905 -8.195 -1.926
193 HD1 TRP 28 HD1 TRP 28 11.743 -7.701 -4.811
194 HE1 TRP 28 HE1 TRP 28 11.799 -9.633 -6.426
195 HE3 TRP 28 HE3 TRP 28 15.959 -10.001 -3.085
196 HZ2 TRP 28 HZ2 TRP 28 13.486 -11.954 -6.942
197 HZ3 TRP 28 HZ3 TRP 28 16.777 -12.077 -4.167
198 HH2 TRP 28 HH2 TRP 28 15.552 -13.059 -6.092
199 H CYS 29 H CYS 29 15.013 -4.840 -3.579
200 HA CYS 29 HA CYS 29 13.514 -3.123 -5.292
201 HB2 CYS 29 HB3 CYS 29 16.465 -3.795 -5.236
202 HB3 CYS 29 HB2 CYS 29 15.741 -2.409 -6.051
203 H LYS 30 H LYS 30 12.781 -3.418 -7.312
204 HA LYS 30 HA LYS 30 14.040 -5.380 -9.095
205 HB2 LYS 30 HB3 LYS 30 11.865 -6.346 -9.726
206 HB3 LYS 30 HB2 LYS 30 12.423 -6.762 -8.110
207 HG2 LYS 30 HG3 LYS 30 10.817 -5.281 -7.082
208 HG3 LYS 30 HG2 LYS 30 10.388 -4.553 -8.634
209 HD2 LYS 30 HD3 LYS 30 8.681 -6.157 -7.836
210 HD3 LYS 30 HD2 LYS 30 9.358 -6.593 -9.407
211 HE2 LYS 30 HE3 LYS 30 10.799 -8.288 -8.368
212 HE3 LYS 30 HE2 LYS 30 10.223 -7.826 -6.757
213 HZ1 LYS 30 HZ1 LYS 30 8.572 -8.928 -8.918
214 HZ2 LYS 30 HZ2 LYS 30 8.033 -8.499 -7.419
215 HZ3 LYS 30 HZ3 LYS 30 9.098 -9.747 -7.585
216 H VAL 31 H VAL 31 13.745 -5.074 -11.238
217 HA VAL 31 HA VAL 31 13.925 -2.371 -11.952
218 HB VAL 31 HB VAL 31 13.743 -4.841 -13.713
219 HG11 VAL 31 HG11 VAL 31 14.763 -2.035 -14.352
220 HG12 VAL 31 HG12 VAL 31 13.323 -2.807 -15.057
221 HG13 VAL 31 HG13 VAL 31 14.929 -3.454 -15.407
222 HG21 VAL 31 HG21 VAL 31 16.207 -4.695 -13.788
223 HG22 VAL 31 HG22 VAL 31 16.177 -3.300 -12.690
224 HG23 VAL 31 HG23 VAL 31 15.658 -4.901 -12.126
225 H LEU 32 H LEU 32 12.324 -1.002 -11.929
226 HA LEU 32 HA LEU 32 9.726 -1.537 -13.152
227 HB2 LEU 32 HB3 LEU 32 9.942 -0.038 -11.193
228 HB3 LEU 32 HB2 LEU 32 10.999 1.024 -12.109
229 HG LEU 32 HG LEU 32 9.090 1.470 -13.697
230 HD11 LEU 32 HD11 LEU 32 6.785 0.853 -12.980
231 HD12 LEU 32 HD12 LEU 32 7.467 -0.172 -11.700
232 HD13 LEU 32 HD13 LEU 32 7.744 -0.564 -13.412
233 HD21 LEU 32 HD21 LEU 32 8.505 2.025 -10.756
234 HD22 LEU 32 HD22 LEU 32 9.575 2.980 -11.807
235 HD23 LEU 32 HD23 LEU 32 7.838 2.913 -12.144
236 H LEU 33 H LEU 33 12.518 0.525 -13.689
237 HA LEU 33 HA LEU 33 11.908 0.799 -16.598
238 HB2 LEU 33 HB3 LEU 33 13.374 2.721 -14.752
239 HB3 LEU 33 HB2 LEU 33 13.042 2.967 -16.464
240 HG LEU 33 HG LEU 33 10.966 2.808 -14.233
241 HD11 LEU 33 HD11 LEU 33 11.927 5.171 -15.894
242 HD12 LEU 33 HD12 LEU 33 12.318 4.863 -14.187
243 HD13 LEU 33 HD13 LEU 33 10.646 5.203 -14.662
244 HD21 LEU 33 HD21 LEU 33 9.336 3.567 -15.956
245 HD22 LEU 33 HD22 LEU 33 9.970 1.961 -16.323
246 HD23 LEU 33 HD23 LEU 33 10.582 3.375 -17.210
247 HN1 NH2 34 HN1 AMD 34 13.225 -0.470 -17.776
248 HN2 NH2 34 HN2 AMD 34 14.920 -0.754 -17.450
Start of MODEL 8
1 H1 GLU 1 H1 AMN 0 24.932 2.380 1.113
2 H2 GLU 1 H2 AMN 0 25.918 3.670 0.828
3 H3 GLU 1 H3 AMN 0 24.316 3.909 1.139
4 HA GLU 1 HA GLU 1 24.771 4.213 -1.153
5 HB2 GLU 1 HB3 GLU 1 25.544 2.396 -2.549
6 HB3 GLU 1 HB2 GLU 1 26.727 2.755 -1.293
7 HG2 GLU 1 HG3 GLU 1 25.965 0.784 0.010
8 HG3 GLU 1 HG2 GLU 1 24.739 0.433 -1.215
9 H CYS 2 H CYS 2 23.336 3.535 -2.867
10 HA CYS 2 HA CYS 2 20.730 2.845 -1.983
11 HB2 CYS 2 HB3 CYS 2 20.114 3.026 -4.297
12 HB3 CYS 2 HB2 CYS 2 21.241 4.306 -3.891
13 H LYS 3 H LYS 3 19.453 1.038 -2.457
14 HA LYS 3 HA LYS 3 20.855 -1.516 -2.236
15 HB2 LYS 3 HB3 LYS 3 17.931 -0.687 -2.176
16 HB3 LYS 3 HB2 LYS 3 18.472 -2.355 -1.979
17 HG2 LYS 3 HG3 LYS 3 19.288 -0.037 -0.176
18 HG3 LYS 3 HG2 LYS 3 17.955 -1.150 0.152
19 HD2 LYS 3 HD3 LYS 3 19.567 -3.039 0.193
20 HD3 LYS 3 HD2 LYS 3 20.905 -1.895 -0.035
21 HE2 LYS 3 HE3 LYS 3 18.926 -1.837 2.279
22 HE3 LYS 3 HE2 LYS 3 20.547 -2.550 2.347
23 HZ1 LYS 3 HZ1 LYS 3 20.524 -0.343 3.222
24 HZ2 LYS 3 HZ2 LYS 3 19.951 0.270 1.802
25 HZ3 LYS 3 HZ3 LYS 3 21.455 -0.402 1.862
26 H GLY 4 H GLY 4 21.489 -2.620 -3.980
27 HA2 GLY 4 HA2 GLY 4 20.670 -1.982 -6.652
28 HA3 GLY 4 HA3 GLY 4 21.729 -3.300 -6.130
29 H PHE 5 H PHE 5 20.210 -3.974 -8.169
30 HA PHE 5 HA PHE 5 17.588 -4.779 -7.791
31 HB2 PHE 5 HB3 PHE 5 18.655 -4.417 -9.944
32 HB3 PHE 5 HB2 PHE 5 19.853 -5.665 -9.620
33 HD1 PHE 5 HD1 PHE 5 16.098 -5.369 -9.497
34 HD2 PHE 5 HD2 PHE 5 19.524 -7.665 -10.767
35 HE1 PHE 5 HE1 PHE 5 14.591 -7.145 -10.364
36 HE2 PHE 5 HE2 PHE 5 18.012 -9.417 -11.661
37 HZ PHE 5 HZ PHE 5 15.557 -9.153 -11.441
38 H GLY 6 H GLY 6 16.768 -6.296 -6.562
39 HA2 GLY 6 HA2 GLY 6 16.371 -8.332 -5.630
40 HA3 GLY 6 HA3 GLY 6 17.893 -8.958 -6.274
41 H LYS 7 H LYS 7 17.458 -6.035 -4.236
42 HA LYS 7 HA LYS 7 18.678 -7.427 -1.915
43 HB2 LYS 7 HB3 LYS 7 20.290 -6.010 -3.318
44 HB3 LYS 7 HB2 LYS 7 19.397 -4.595 -2.732
45 HG2 LYS 7 HG3 LYS 7 19.909 -5.291 -0.386
46 HG3 LYS 7 HG2 LYS 7 20.789 -6.700 -1.010
47 HD2 LYS 7 HD3 LYS 7 22.302 -5.147 -2.274
48 HD3 LYS 7 HD2 LYS 7 21.491 -3.772 -1.514
49 HE2 LYS 7 HE3 LYS 7 22.973 -6.002 -0.050
50 HE3 LYS 7 HE2 LYS 7 23.634 -4.397 -0.403
51 HZ1 LYS 7 HZ1 LYS 7 22.801 -4.535 1.813
52 HZ2 LYS 7 HZ2 LYS 7 21.295 -4.941 1.278
53 HZ3 LYS 7 HZ3 LYS 7 21.914 -3.450 0.944
54 H SER 8 H SER 8 17.800 -6.987 -0.015
55 HA SER 8 HA SER 8 15.113 -6.218 0.078
56 HB2 SER 8 HB3 SER 8 17.144 -6.592 2.314
57 HB3 SER 8 HB2 SER 8 15.390 -6.464 2.545
58 HG SER 8 HG SER 8 15.162 -8.292 1.188
59 H CYS 9 H CYS 9 14.092 -4.367 0.293
60 HA CYS 9 HA CYS 9 15.585 -1.870 0.557
61 HB2 CYS 9 HB3 CYS 9 13.585 -0.823 -0.197
62 HB3 CYS 9 HB2 CYS 9 13.851 -2.235 -1.183
63 H VAL 10 H VAL 10 14.679 -0.117 1.740
64 HA VAL 10 HA VAL 10 13.561 -0.558 4.418
65 HB VAL 10 HB VAL 10 14.433 1.827 2.746
66 HG11 VAL 10 HG11 VAL 10 12.956 2.021 5.399
67 HG12 VAL 10 HG12 VAL 10 12.385 2.616 3.822
68 HG13 VAL 10 HG13 VAL 10 13.799 3.349 4.572
69 HG21 VAL 10 HG21 VAL 10 15.241 0.866 5.532
70 HG22 VAL 10 HG22 VAL 10 15.972 2.211 4.627
71 HG23 VAL 10 HG23 VAL 10 16.153 0.547 4.044
72 HA PRO 11 HA PRO 11 9.454 -0.300 2.486
73 HB2 PRO 11 HB3 PRO 11 7.887 0.069 4.704
74 HB3 PRO 11 HB2 PRO 11 8.630 -1.496 4.263
75 HG2 PRO 11 HG3 PRO 11 9.626 0.541 6.270
76 HG3 PRO 11 HG2 PRO 11 9.517 -1.238 6.451
77 HD2 PRO 11 HD3 PRO 11 11.835 0.069 5.768
78 HD3 PRO 11 HD2 PRO 11 11.462 -1.573 5.184
79 H GLY 12 H GLY 12 9.645 1.466 1.289
80 HA2 GLY 12 HA2 GLY 12 8.473 3.949 1.701
81 HA3 GLY 12 HA3 GLY 12 10.193 4.083 2.146
82 H LYS 13 H LYS 13 10.963 1.870 0.319
83 HA LYS 13 HA LYS 13 11.701 1.388 -1.655
84 HB2 LYS 13 HB3 LYS 13 9.822 3.290 -3.086
85 HB3 LYS 13 HB2 LYS 13 10.547 1.792 -3.665
86 HG2 LYS 13 HG3 LYS 13 9.088 0.587 -1.904
87 HG3 LYS 13 HG2 LYS 13 8.251 2.126 -1.691
88 HD2 LYS 13 HD3 LYS 13 7.684 2.162 -4.109
89 HD3 LYS 13 HD2 LYS 13 8.493 0.591 -4.305
90 HE2 LYS 13 HE3 LYS 13 6.935 -0.407 -2.649
91 HE3 LYS 13 HE2 LYS 13 6.110 1.157 -2.494
92 HZ1 LYS 13 HZ1 LYS 13 5.560 1.021 -4.813
93 HZ2 LYS 13 HZ2 LYS 13 4.984 -0.297 -4.005
94 HZ3 LYS 13 HZ3 LYS 13 6.327 -0.433 -4.953
95 H ASN 14 H ASN 14 12.188 4.034 -0.083
96 HA ASN 14 HA ASN 14 13.162 5.927 -1.899
97 HB2 ASN 14 HB3 ASN 14 14.043 7.070 0.087
98 HB3 ASN 14 HB2 ASN 14 12.382 6.540 0.311
99 HD21 ASN 14 HD21 ASN 14 15.558 6.477 1.619
100 HD22 ASN 14 HD22 ASN 14 15.277 5.311 2.893
101 H GLU 15 H GLU 15 14.681 3.195 -0.245
102 HA GLU 15 HA GLU 15 17.410 4.030 -0.610
103 HB2 GLU 15 HB3 GLU 15 16.095 1.391 0.112
104 HB3 GLU 15 HB2 GLU 15 17.837 1.569 -0.070
105 HG2 GLU 15 HG3 GLU 15 16.164 3.163 1.898
106 HG3 GLU 15 HG2 GLU 15 17.140 1.739 2.276
107 H CYS 16 H CYS 16 15.239 1.914 -2.563
108 HA CYS 16 HA CYS 16 17.158 0.555 -3.997
109 HB2 CYS 16 HB3 CYS 16 14.440 1.496 -4.963
110 HB3 CYS 16 HB2 CYS 16 15.422 0.228 -5.696
111 H CYS 17 H CYS 17 18.407 0.869 -5.759
112 HA CYS 17 HA CYS 17 19.315 3.445 -6.428
113 HB2 CYS 17 HB3 CYS 17 19.670 0.844 -7.957
114 HB3 CYS 17 HB2 CYS 17 20.643 2.286 -8.151
115 H SER 18 H SER 18 19.652 4.118 -8.784
116 HA SER 18 HA SER 18 17.211 4.972 -9.898
117 HB2 SER 18 HB3 SER 18 18.620 5.811 -11.749
118 HB3 SER 18 HB2 SER 18 19.221 6.255 -10.145
119 HG SER 18 HG SER 18 20.879 5.532 -11.535
120 H GLY 19 H GLY 19 15.752 3.788 -10.836
121 HA2 GLY 19 HA2 GLY 19 14.919 2.761 -12.806
122 HA3 GLY 19 HA3 GLY 19 16.436 1.882 -13.008
123 H LEU 20 H LEU 20 15.095 2.089 -9.787
124 HA LEU 20 HA LEU 20 13.927 -0.638 -9.919
125 HB2 LEU 20 HB3 LEU 20 15.795 0.427 -7.783
126 HB3 LEU 20 HB2 LEU 20 15.018 -1.150 -7.770
127 HG LEU 20 HG LEU 20 17.095 -0.250 -9.804
128 HD11 LEU 20 HD11 LEU 20 17.950 -0.443 -7.461
129 HD12 LEU 20 HD12 LEU 20 18.677 -1.612 -8.575
130 HD13 LEU 20 HD13 LEU 20 17.415 -2.129 -7.432
131 HD21 LEU 20 HD21 LEU 20 15.918 -3.012 -9.241
132 HD22 LEU 20 HD22 LEU 20 17.260 -2.660 -10.358
133 HD23 LEU 20 HD23 LEU 20 15.654 -2.032 -10.698
134 H THR 21 H THR 21 12.567 -1.118 -8.159
135 HA THR 21 HA THR 21 11.578 0.915 -6.341
136 HB THR 21 HB THR 21 10.341 1.460 -8.415
137 HG1 THR 21 HG1 THR 21 9.383 1.688 -6.369
138 HG21 THR 21 HG21 THR 21 10.246 -0.831 -9.457
139 HG22 THR 21 HG22 THR 21 8.681 -0.005 -9.395
140 HG23 THR 21 HG23 THR 21 9.039 -1.295 -8.238
141 H CYS 22 H CYS 22 10.808 -0.089 -4.471
142 HA CYS 22 HA CYS 22 11.406 -2.868 -4.279
143 HB2 CYS 22 HB3 CYS 22 11.705 -1.102 -2.488
144 HB3 CYS 22 HB2 CYS 22 9.974 -1.286 -2.157
145 H SER 23 H SER 23 10.201 -4.593 -4.472
146 HA SER 23 HA SER 23 7.617 -4.685 -5.522
147 HB2 SER 23 HB3 SER 23 9.458 -6.404 -5.646
148 HB3 SER 23 HB2 SER 23 9.132 -6.827 -3.969
149 HG SER 23 HG SER 23 7.283 -6.947 -6.124
150 H ASN 24 H ASN 24 5.607 -5.040 -4.674
151 HA ASN 24 HA ASN 24 5.051 -4.718 -1.850
152 HB2 ASN 24 HB3 ASN 24 2.756 -5.056 -2.460
153 HB3 ASN 24 HB2 ASN 24 3.500 -3.943 -3.601
154 HD21 ASN 24 HD21 ASN 24 1.546 -6.695 -3.311
155 HD22 ASN 24 HD22 ASN 24 1.641 -7.269 -4.961
156 H LYS 25 H LYS 25 5.456 -7.436 -4.107
157 HA LYS 25 HA LYS 25 4.432 -9.477 -2.311
158 HB2 LYS 25 HB3 LYS 25 5.890 -9.546 -4.985
159 HB3 LYS 25 HB2 LYS 25 5.439 -11.000 -4.088
160 HG2 LYS 25 HG3 LYS 25 3.058 -10.363 -4.187
161 HG3 LYS 25 HG2 LYS 25 3.472 -8.898 -5.096
162 HD2 LYS 25 HD3 LYS 25 4.457 -10.283 -6.902
163 HD3 LYS 25 HD2 LYS 25 4.014 -11.755 -6.007
164 HE2 LYS 25 HE3 LYS 25 1.629 -11.104 -6.118
165 HE3 LYS 25 HE2 LYS 25 2.069 -9.627 -6.998
166 HZ1 LYS 25 HZ1 LYS 25 2.533 -12.373 -7.925
167 HZ2 LYS 25 HZ2 LYS 25 2.939 -11.000 -8.742
168 HZ3 LYS 25 HZ3 LYS 25 1.353 -11.357 -8.467
169 H HIS 26 H HIS 26 7.655 -9.168 -3.856
170 HA HIS 26 HA HIS 26 8.906 -10.977 -2.076
171 HB2 HIS 26 HB3 HIS 26 10.100 -8.985 -4.035
172 HB3 HIS 26 HB2 HIS 26 10.936 -10.375 -3.340
173 HD1 HIS 26 HD1 HIS 26 8.383 -9.494 -6.029
174 HD2 HIS 26 HD2 HIS 26 10.267 -12.832 -4.310
175 HE1 HIS 26 HE1 HIS 26 7.914 -11.473 -7.571
176 H LYS 27 H LYS 27 8.483 -7.515 -1.853
177 HA LYS 27 HA LYS 27 9.476 -5.828 -0.822
178 HB2 LYS 27 HB3 LYS 27 8.392 -7.129 1.058
179 HB3 LYS 27 HB2 LYS 27 10.009 -7.701 1.494
180 HG2 LYS 27 HG3 LYS 27 10.739 -5.305 1.736
181 HG3 LYS 27 HG2 LYS 27 9.101 -4.784 1.304
182 HD2 LYS 27 HD3 LYS 27 8.200 -6.000 3.278
183 HD3 LYS 27 HD2 LYS 27 9.842 -6.486 3.732
184 HE2 LYS 27 HE3 LYS 27 8.869 -3.607 3.477
185 HE3 LYS 27 HE2 LYS 27 8.988 -4.506 5.000
186 HZ1 LYS 27 HZ1 LYS 27 10.885 -3.129 4.647
187 HZ2 LYS 27 HZ2 LYS 27 11.229 -3.874 3.217
188 HZ3 LYS 27 HZ3 LYS 27 11.331 -4.716 4.632
189 H TRP 28 H TRP 28 11.031 -6.529 -2.700
190 HA TRP 28 HA TRP 28 13.589 -5.665 -1.658
191 HB2 TRP 28 HB3 TRP 28 14.976 -7.224 -2.711
192 HB3 TRP 28 HB2 TRP 28 13.849 -8.128 -1.742
193 HD1 TRP 28 HD1 TRP 28 11.941 -7.598 -4.810
194 HE1 TRP 28 HE1 TRP 28 12.226 -9.454 -6.480
195 HE3 TRP 28 HE3 TRP 28 16.027 -9.858 -2.738
196 HZ2 TRP 28 HZ2 TRP 28 14.007 -11.723 -6.890
197 HZ3 TRP 28 HZ3 TRP 28 16.996 -11.881 -3.793
198 HH2 TRP 28 HH2 TRP 28 15.997 -12.819 -5.865
199 H CYS 29 H CYS 29 14.992 -4.790 -3.401
200 HA CYS 29 HA CYS 29 13.489 -3.086 -5.139
201 HB2 CYS 29 HB3 CYS 29 16.437 -3.743 -5.080
202 HB3 CYS 29 HB2 CYS 29 15.703 -2.377 -5.923
203 H LYS 30 H LYS 30 12.724 -3.446 -7.119
204 HA LYS 30 HA LYS 30 13.995 -5.423 -8.897
205 HB2 LYS 30 HB3 LYS 30 11.811 -6.282 -9.614
206 HB3 LYS 30 HB2 LYS 30 12.223 -6.711 -7.956
207 HG2 LYS 30 HG3 LYS 30 10.648 -5.170 -7.047
208 HG3 LYS 30 HG2 LYS 30 10.442 -4.325 -8.578
209 HD2 LYS 30 HD3 LYS 30 8.514 -5.786 -7.973
210 HD3 LYS 30 HD2 LYS 30 9.220 -6.101 -9.559
211 HE2 LYS 30 HE3 LYS 30 10.410 -8.065 -8.690
212 HE3 LYS 30 HE2 LYS 30 9.780 -7.754 -7.063
213 HZ1 LYS 30 HZ1 LYS 30 8.503 -9.399 -8.209
214 HZ2 LYS 30 HZ2 LYS 30 8.167 -8.354 -9.441
215 HZ3 LYS 30 HZ3 LYS 30 7.578 -8.064 -7.928
216 H VAL 31 H VAL 31 13.521 -5.121 -11.127
217 HA VAL 31 HA VAL 31 13.973 -2.469 -11.838
218 HB VAL 31 HB VAL 31 13.063 -4.617 -13.771
219 HG11 VAL 31 HG11 VAL 31 13.338 -2.290 -14.652
220 HG12 VAL 31 HG12 VAL 31 14.528 -3.406 -15.336
221 HG13 VAL 31 HG13 VAL 31 15.006 -2.273 -14.052
222 HG21 VAL 31 HG21 VAL 31 15.509 -5.167 -14.016
223 HG22 VAL 31 HG22 VAL 31 15.836 -4.198 -12.561
224 HG23 VAL 31 HG23 VAL 31 14.825 -5.661 -12.472
225 H LEU 32 H LEU 32 12.726 -0.812 -11.918
226 HA LEU 32 HA LEU 32 9.929 -0.706 -11.793
227 HB2 LEU 32 HB3 LEU 32 11.316 1.118 -11.055
228 HB3 LEU 32 HB2 LEU 32 12.090 1.248 -12.617
229 HG LEU 32 HG LEU 32 9.927 2.077 -13.591
230 HD11 LEU 32 HD11 LEU 32 8.103 2.775 -12.079
231 HD12 LEU 32 HD12 LEU 32 8.956 2.066 -10.693
232 HD13 LEU 32 HD13 LEU 32 8.331 1.025 -11.991
233 HD21 LEU 32 HD21 LEU 32 10.024 4.297 -12.531
234 HD22 LEU 32 HD22 LEU 32 10.935 3.620 -11.163
235 HD23 LEU 32 HD23 LEU 32 11.650 3.644 -12.790
236 H LEU 33 H LEU 33 12.103 -0.513 -14.529
237 HA LEU 33 HA LEU 33 10.095 -0.200 -16.599
238 HB2 LEU 33 HB3 LEU 33 12.985 -1.163 -16.714
239 HB3 LEU 33 HB2 LEU 33 11.974 -0.857 -18.120
240 HG LEU 33 HG LEU 33 12.826 1.259 -16.085
241 HD11 LEU 33 HD11 LEU 33 14.697 0.413 -17.449
242 HD12 LEU 33 HD12 LEU 33 14.282 2.078 -17.889
243 HD13 LEU 33 HD13 LEU 33 13.773 0.733 -18.934
244 HD21 LEU 33 HD21 LEU 33 11.961 2.880 -17.770
245 HD22 LEU 33 HD22 LEU 33 10.674 1.884 -17.087
246 HD23 LEU 33 HD23 LEU 33 11.298 1.529 -18.714
247 HN1 NH2 34 HN1 AMD 34 8.729 -1.730 -17.326
248 HN2 NH2 34 HN2 AMD 34 8.955 -3.457 -17.166
Start of MODEL 9
1 H1 GLU 1 H1 AMN 0 23.957 4.054 1.395
2 H2 GLU 1 H2 AMN 0 24.999 5.193 0.813
3 H3 GLU 1 H3 AMN 0 23.376 5.363 0.576
4 HA GLU 1 HA GLU 1 24.435 4.688 -1.412
5 HB2 GLU 1 HB3 GLU 1 25.510 2.516 -1.605
6 HB3 GLU 1 HB2 GLU 1 26.346 3.565 -0.462
7 HG2 GLU 1 HG3 GLU 1 25.258 2.333 1.434
8 HG3 GLU 1 HG2 GLU 1 24.498 1.246 0.262
9 H CYS 2 H CYS 2 23.122 3.865 -2.907
10 HA CYS 2 HA CYS 2 20.507 3.045 -2.113
11 HB2 CYS 2 HB3 CYS 2 19.994 3.098 -4.450
12 HB3 CYS 2 HB2 CYS 2 21.014 4.467 -4.056
13 H LYS 3 H LYS 3 19.399 1.130 -2.552
14 HA LYS 3 HA LYS 3 20.992 -1.315 -2.263
15 HB2 LYS 3 HB3 LYS 3 18.029 -0.649 -2.146
16 HB3 LYS 3 HB2 LYS 3 18.621 -2.302 -2.062
17 HG2 LYS 3 HG3 LYS 3 19.465 -0.102 -0.127
18 HG3 LYS 3 HG2 LYS 3 18.135 -1.232 0.156
19 HD2 LYS 3 HD3 LYS 3 19.713 -3.131 0.073
20 HD3 LYS 3 HD2 LYS 3 21.065 -2.002 -0.182
21 HE2 LYS 3 HE3 LYS 3 20.518 -0.883 1.962
22 HE3 LYS 3 HE2 LYS 3 19.192 -2.035 2.219
23 HZ1 LYS 3 HZ1 LYS 3 22.038 -2.719 1.990
24 HZ2 LYS 3 HZ2 LYS 3 20.807 -3.792 2.224
25 HZ3 LYS 3 HZ3 LYS 3 21.161 -2.677 3.387
26 H GLY 4 H GLY 4 21.625 -2.514 -3.936
27 HA2 GLY 4 HA2 GLY 4 20.847 -2.005 -6.640
28 HA3 GLY 4 HA3 GLY 4 21.868 -3.320 -6.039
29 H PHE 5 H PHE 5 20.275 -3.929 -8.097
30 HA PHE 5 HA PHE 5 17.666 -4.729 -7.705
31 HB2 PHE 5 HB3 PHE 5 18.814 -4.313 -9.830
32 HB3 PHE 5 HB2 PHE 5 19.942 -5.616 -9.518
33 HD1 PHE 5 HD1 PHE 5 16.177 -5.522 -9.198
34 HD2 PHE 5 HD2 PHE 5 19.628 -7.186 -11.193
35 HE1 PHE 5 HE1 PHE 5 14.722 -7.154 -10.368
36 HE2 PHE 5 HE2 PHE 5 18.159 -8.793 -12.377
37 HZ PHE 5 HZ PHE 5 15.717 -8.775 -11.950
38 H GLY 6 H GLY 6 16.918 -6.177 -6.317
39 HA2 GLY 6 HA2 GLY 6 16.541 -8.480 -5.824
40 HA3 GLY 6 HA3 GLY 6 18.271 -8.802 -5.930
41 H LYS 7 H LYS 7 18.554 -6.064 -4.313
42 HA LYS 7 HA LYS 7 18.855 -7.366 -1.743
43 HB2 LYS 7 HB3 LYS 7 19.196 -4.464 -2.593
44 HB3 LYS 7 HB2 LYS 7 19.656 -5.126 -1.031
45 HG2 LYS 7 HG3 LYS 7 20.875 -5.973 -3.695
46 HG3 LYS 7 HG2 LYS 7 21.575 -4.823 -2.551
47 HD2 LYS 7 HD3 LYS 7 21.617 -6.621 -0.800
48 HD3 LYS 7 HD2 LYS 7 21.047 -7.782 -2.021
49 HE2 LYS 7 HE3 LYS 7 23.035 -7.321 -3.404
50 HE3 LYS 7 HE2 LYS 7 23.601 -6.136 -2.210
51 HZ1 LYS 7 HZ1 LYS 7 23.206 -9.002 -1.718
52 HZ2 LYS 7 HZ2 LYS 7 23.729 -7.899 -0.611
53 HZ3 LYS 7 HZ3 LYS 7 24.658 -8.248 -1.928
54 H SER 8 H SER 8 17.588 -7.271 -0.002
55 HA SER 8 HA SER 8 14.888 -6.424 -0.103
56 HB2 SER 8 HB3 SER 8 16.695 -7.169 2.228
57 HB3 SER 8 HB2 SER 8 14.942 -6.913 2.348
58 HG SER 8 HG SER 8 16.231 -8.811 0.680
59 H CYS 9 H CYS 9 14.007 -4.513 0.155
60 HA CYS 9 HA CYS 9 15.687 -2.182 0.617
61 HB2 CYS 9 HB3 CYS 9 13.830 -0.953 -0.239
62 HB3 CYS 9 HB2 CYS 9 14.003 -2.380 -1.225
63 H VAL 10 H VAL 10 14.752 -0.338 1.759
64 HA VAL 10 HA VAL 10 13.521 -0.765 4.383
65 HB VAL 10 HB VAL 10 14.334 1.649 2.721
66 HG11 VAL 10 HG11 VAL 10 12.856 1.704 5.380
67 HG12 VAL 10 HG12 VAL 10 12.279 2.347 3.826
68 HG13 VAL 10 HG13 VAL 10 13.662 3.097 4.618
69 HG21 VAL 10 HG21 VAL 10 15.890 2.071 4.569
70 HG22 VAL 10 HG22 VAL 10 16.124 0.417 3.983
71 HG23 VAL 10 HG23 VAL 10 15.223 0.699 5.484
72 HA PRO 11 HA PRO 11 9.483 -0.627 2.256
73 HB2 PRO 11 HB3 PRO 11 7.825 -0.449 4.436
74 HB3 PRO 11 HB2 PRO 11 8.627 -1.960 3.913
75 HG2 PRO 11 HG3 PRO 11 9.508 -0.037 6.082
76 HG3 PRO 11 HG2 PRO 11 9.428 -1.826 6.148
77 HD2 PRO 11 HD3 PRO 11 11.744 -0.464 5.637
78 HD3 PRO 11 HD2 PRO 11 11.400 -2.051 4.886
79 H GLY 12 H GLY 12 9.561 1.198 1.172
80 HA2 GLY 12 HA2 GLY 12 8.344 3.633 1.706
81 HA3 GLY 12 HA3 GLY 12 10.058 3.775 2.173
82 H LYS 13 H LYS 13 10.887 1.677 0.253
83 HA LYS 13 HA LYS 13 11.623 1.275 -1.730
84 HB2 LYS 13 HB3 LYS 13 9.724 3.203 -3.101
85 HB3 LYS 13 HB2 LYS 13 10.463 1.732 -3.729
86 HG2 LYS 13 HG3 LYS 13 9.003 0.449 -2.030
87 HG3 LYS 13 HG2 LYS 13 8.160 1.972 -1.748
88 HD2 LYS 13 HD3 LYS 13 7.589 2.115 -4.160
89 HD3 LYS 13 HD2 LYS 13 8.416 0.565 -4.433
90 HE2 LYS 13 HE3 LYS 13 6.869 -0.523 -2.812
91 HE3 LYS 13 HE2 LYS 13 6.023 1.022 -2.602
92 HZ1 LYS 13 HZ1 LYS 13 5.481 0.966 -4.925
93 HZ2 LYS 13 HZ2 LYS 13 4.923 -0.390 -4.170
94 HZ3 LYS 13 HZ3 LYS 13 6.270 -0.470 -5.119
95 H ASN 14 H ASN 14 12.096 3.862 -0.071
96 HA ASN 14 HA ASN 14 13.076 5.824 -1.802
97 HB2 ASN 14 HB3 ASN 14 14.031 6.838 0.232
98 HB3 ASN 14 HB2 ASN 14 12.356 6.346 0.445
99 HD21 ASN 14 HD21 ASN 14 15.612 5.986 1.606
100 HD22 ASN 14 HD22 ASN 14 15.282 4.802 2.851
101 H GLU 15 H GLU 15 14.572 2.976 -0.352
102 HA GLU 15 HA GLU 15 17.303 3.758 -0.621
103 HB2 GLU 15 HB3 GLU 15 15.879 1.108 -0.220
104 HB3 GLU 15 HB2 GLU 15 17.622 1.194 -0.445
105 HG2 GLU 15 HG3 GLU 15 16.125 2.673 1.743
106 HG3 GLU 15 HG2 GLU 15 16.967 1.129 1.937
107 H CYS 16 H CYS 16 15.247 1.650 -2.724
108 HA CYS 16 HA CYS 16 17.249 0.509 -4.148
109 HB2 CYS 16 HB3 CYS 16 14.491 1.219 -5.179
110 HB3 CYS 16 HB2 CYS 16 15.574 0.001 -5.852
111 H CYS 17 H CYS 17 18.465 0.852 -5.932
112 HA CYS 17 HA CYS 17 19.247 3.472 -6.590
113 HB2 CYS 17 HB3 CYS 17 19.799 0.886 -8.087
114 HB3 CYS 17 HB2 CYS 17 20.709 2.374 -8.239
115 H SER 18 H SER 18 19.685 3.997 -9.036
116 HA SER 18 HA SER 18 17.268 4.883 -10.186
117 HB2 SER 18 HB3 SER 18 20.063 4.630 -11.367
118 HB3 SER 18 HB2 SER 18 18.722 5.537 -12.095
119 HG SER 18 HG SER 18 19.854 6.003 -9.535
120 H GLY 19 H GLY 19 15.773 3.680 -11.080
121 HA2 GLY 19 HA2 GLY 19 14.872 2.558 -12.935
122 HA3 GLY 19 HA3 GLY 19 16.407 1.729 -13.215
123 H LEU 20 H LEU 20 15.034 1.999 -9.981
124 HA LEU 20 HA LEU 20 13.968 -0.761 -10.003
125 HB2 LEU 20 HB3 LEU 20 15.898 0.383 -7.959
126 HB3 LEU 20 HB2 LEU 20 15.088 -1.172 -7.819
127 HG LEU 20 HG LEU 20 17.057 -0.494 -10.038
128 HD11 LEU 20 HD11 LEU 20 18.721 -1.730 -8.783
129 HD12 LEU 20 HD12 LEU 20 17.554 -2.074 -7.485
130 HD13 LEU 20 HD13 LEU 20 18.094 -0.416 -7.776
131 HD21 LEU 20 HD21 LEU 20 15.482 -2.359 -10.551
132 HD22 LEU 20 HD22 LEU 20 15.974 -3.179 -9.059
133 HD23 LEU 20 HD23 LEU 20 17.138 -2.923 -10.383
134 H THR 21 H THR 21 12.708 -1.206 -8.086
135 HA THR 21 HA THR 21 11.629 0.872 -6.430
136 HB THR 21 HB THR 21 10.435 1.400 -8.533
137 HG1 THR 21 HG1 THR 21 9.455 1.659 -6.503
138 HG21 THR 21 HG21 THR 21 10.326 -0.913 -9.543
139 HG22 THR 21 HG22 THR 21 8.780 -0.052 -9.527
140 HG23 THR 21 HG23 THR 21 9.084 -1.330 -8.343
141 H CYS 22 H CYS 22 10.916 -0.121 -4.556
142 HA CYS 22 HA CYS 22 11.488 -2.904 -4.388
143 HB2 CYS 22 HB3 CYS 22 11.889 -1.164 -2.619
144 HB3 CYS 22 HB2 CYS 22 10.164 -1.261 -2.239
145 H SER 23 H SER 23 10.256 -4.625 -4.471
146 HA SER 23 HA SER 23 7.632 -4.731 -5.432
147 HB2 SER 23 HB3 SER 23 9.392 -6.498 -5.607
148 HB3 SER 23 HB2 SER 23 9.240 -6.808 -3.877
149 HG SER 23 HG SER 23 7.983 -8.234 -5.151
150 H ASN 24 H ASN 24 5.659 -4.847 -4.472
151 HA ASN 24 HA ASN 24 5.244 -4.298 -1.683
152 HB2 ASN 24 HB3 ASN 24 2.893 -4.673 -2.182
153 HB3 ASN 24 HB2 ASN 24 3.635 -3.616 -3.375
154 HD21 ASN 24 HD21 ASN 24 1.843 -6.534 -2.883
155 HD22 ASN 24 HD22 ASN 24 1.824 -7.081 -4.544
156 H LYS 25 H LYS 25 5.212 -7.264 -3.683
157 HA LYS 25 HA LYS 25 4.256 -8.992 -1.613
158 HB2 LYS 25 HB3 LYS 25 3.911 -9.193 -4.088
159 HB3 LYS 25 HB2 LYS 25 5.585 -9.683 -4.274
160 HG2 LYS 25 HG3 LYS 25 3.498 -11.147 -2.581
161 HG3 LYS 25 HG2 LYS 25 3.879 -11.520 -4.263
162 HD2 LYS 25 HD3 LYS 25 6.264 -11.975 -3.562
163 HD3 LYS 25 HD2 LYS 25 5.730 -11.845 -1.871
164 HE2 LYS 25 HE3 LYS 25 4.095 -13.650 -2.237
165 HE3 LYS 25 HE2 LYS 25 4.606 -13.777 -3.932
166 HZ1 LYS 25 HZ1 LYS 25 5.661 -15.412 -2.568
167 HZ2 LYS 25 HZ2 LYS 25 6.311 -14.252 -1.592
168 HZ3 LYS 25 HZ3 LYS 25 6.786 -14.365 -3.168
169 H HIS 26 H HIS 26 7.407 -9.170 -3.377
170 HA HIS 26 HA HIS 26 8.578 -10.889 -1.450
171 HB2 HIS 26 HB3 HIS 26 9.849 -9.254 -3.681
172 HB3 HIS 26 HB2 HIS 26 10.618 -10.573 -2.798
173 HD1 HIS 26 HD1 HIS 26 9.416 -13.074 -3.161
174 HD2 HIS 26 HD2 HIS 26 8.419 -9.952 -5.791
175 HE1 HIS 26 HE1 HIS 26 8.343 -14.155 -5.210
176 H LYS 27 H LYS 27 8.570 -7.387 -1.691
177 HA LYS 27 HA LYS 27 9.739 -5.718 -0.858
178 HB2 LYS 27 HB3 LYS 27 8.691 -6.606 1.246
179 HB3 LYS 27 HB2 LYS 27 10.243 -7.368 1.625
180 HG2 LYS 27 HG3 LYS 27 11.327 -5.080 1.482
181 HG3 LYS 27 HG2 LYS 27 9.740 -4.391 1.126
182 HD2 LYS 27 HD3 LYS 27 10.252 -4.002 3.441
183 HD3 LYS 27 HD2 LYS 27 8.928 -5.178 3.358
184 HE2 LYS 27 HE3 LYS 27 10.547 -7.019 3.734
185 HE3 LYS 27 HE2 LYS 27 11.879 -5.846 3.767
186 HZ1 LYS 27 HZ1 LYS 27 11.168 -6.447 5.955
187 HZ2 LYS 27 HZ2 LYS 27 9.629 -5.937 5.649
188 HZ3 LYS 27 HZ3 LYS 27 10.867 -4.848 5.681
189 H TRP 28 H TRP 28 11.075 -6.504 -2.720
190 HA TRP 28 HA TRP 28 13.700 -5.734 -1.825
191 HB2 TRP 28 HB3 TRP 28 14.956 -7.243 -3.297
192 HB3 TRP 28 HB2 TRP 28 14.184 -8.060 -1.966
193 HD1 TRP 28 HD1 TRP 28 12.873 -7.385 -5.616
194 HE1 TRP 28 HE1 TRP 28 12.074 -9.580 -6.580
195 HE3 TRP 28 HE3 TRP 28 14.152 -10.352 -1.739
196 HZ2 TRP 28 HZ2 TRP 28 11.982 -12.396 -5.735
197 HZ3 TRP 28 HZ3 TRP 28 13.707 -12.825 -1.805
198 HH2 TRP 28 HH2 TRP 28 12.618 -13.834 -3.800
199 H CYS 29 H CYS 29 15.025 -5.036 -3.586
200 HA CYS 29 HA CYS 29 13.624 -3.158 -5.273
201 HB2 CYS 29 HB3 CYS 29 16.522 -4.039 -5.198
202 HB3 CYS 29 HB2 CYS 29 15.910 -2.653 -6.092
203 H LYS 30 H LYS 30 12.724 -3.536 -7.179
204 HA LYS 30 HA LYS 30 13.873 -5.517 -9.036
205 HB2 LYS 30 HB3 LYS 30 11.693 -6.374 -9.638
206 HB3 LYS 30 HB2 LYS 30 12.079 -6.733 -7.962
207 HG2 LYS 30 HG3 LYS 30 10.581 -5.005 -7.156
208 HG3 LYS 30 HG2 LYS 30 10.299 -4.396 -8.788
209 HD2 LYS 30 HD3 LYS 30 9.501 -7.180 -7.854
210 HD3 LYS 30 HD2 LYS 30 8.427 -5.771 -7.876
211 HE2 LYS 30 HE3 LYS 30 8.762 -5.546 -10.322
212 HE3 LYS 30 HE2 LYS 30 9.801 -6.984 -10.308
213 HZ1 LYS 30 HZ1 LYS 30 7.573 -7.510 -10.938
214 HZ2 LYS 30 HZ2 LYS 30 6.977 -6.909 -9.522
215 HZ3 LYS 30 HZ3 LYS 30 7.945 -8.244 -9.509
216 H VAL 31 H VAL 31 13.258 -5.184 -11.247
217 HA VAL 31 HA VAL 31 13.924 -2.588 -11.929
218 HB VAL 31 HB VAL 31 12.742 -4.629 -13.833
219 HG11 VAL 31 HG11 VAL 31 13.103 -2.350 -14.760
220 HG12 VAL 31 HG12 VAL 31 14.230 -3.515 -15.467
221 HG13 VAL 31 HG13 VAL 31 14.790 -2.391 -14.211
222 HG21 VAL 31 HG21 VAL 31 15.124 -5.352 -14.196
223 HG22 VAL 31 HG22 VAL 31 15.600 -4.389 -12.779
224 HG23 VAL 31 HG23 VAL 31 14.503 -5.780 -12.604
225 H LEU 32 H LEU 32 12.847 -0.799 -11.874
226 HA LEU 32 HA LEU 32 10.010 -0.469 -11.946
227 HB2 LEU 32 HB3 LEU 32 11.431 1.119 -10.795
228 HB3 LEU 32 HB2 LEU 32 12.384 1.400 -12.239
229 HG LEU 32 HG LEU 32 10.408 2.515 -13.296
230 HD11 LEU 32 HD11 LEU 32 9.101 2.168 -10.557
231 HD12 LEU 32 HD12 LEU 32 8.574 1.377 -12.060
232 HD13 LEU 32 HD13 LEU 32 8.466 3.135 -11.903
233 HD21 LEU 32 HD21 LEU 32 11.221 3.618 -10.573
234 HD22 LEU 32 HD22 LEU 32 12.119 3.815 -12.095
235 HD23 LEU 32 HD23 LEU 32 10.517 4.550 -11.914
236 H LEU 33 H LEU 33 12.582 0.170 -14.240
237 HA LEU 33 HA LEU 33 10.833 1.237 -16.280
238 HB2 LEU 33 HB3 LEU 33 13.802 0.565 -16.290
239 HB3 LEU 33 HB2 LEU 33 12.962 1.418 -17.584
240 HG LEU 33 HG LEU 33 13.255 2.437 -14.713
241 HD11 LEU 33 HD11 LEU 33 14.642 3.308 -17.279
242 HD12 LEU 33 HD12 LEU 33 15.386 2.395 -15.948
243 HD13 LEU 33 HD13 LEU 33 14.827 4.053 -15.676
244 HD21 LEU 33 HD21 LEU 33 11.198 3.334 -15.699
245 HD22 LEU 33 HD22 LEU 33 12.075 3.788 -17.180
246 HD23 LEU 33 HD23 LEU 33 12.432 4.594 -15.637
247 HN1 NH2 34 HN1 AMD 34 9.494 -0.103 -17.366
248 HN2 NH2 34 HN2 AMD 34 9.970 -1.615 -18.107
Start of MODEL 10
1 H1 GLU 1 H1 AMN 0 24.979 2.482 0.694
2 H2 GLU 1 H2 AMN 0 25.834 3.878 0.497
3 H3 GLU 1 H3 AMN 0 24.243 3.939 0.930
4 HA GLU 1 HA GLU 1 24.510 4.524 -1.337
5 HB2 GLU 1 HB3 GLU 1 25.341 2.947 -2.970
6 HB3 GLU 1 HB2 GLU 1 26.568 3.268 -1.747
7 HG2 GLU 1 HG3 GLU 1 26.067 1.108 -0.642
8 HG3 GLU 1 HG2 GLU 1 24.778 0.791 -1.810
9 H CYS 2 H CYS 2 23.117 3.725 -3.124
10 HA CYS 2 HA CYS 2 20.567 2.935 -2.189
11 HB2 CYS 2 HB3 CYS 2 19.919 3.040 -4.510
12 HB3 CYS 2 HB2 CYS 2 20.978 4.382 -4.121
13 H LYS 3 H LYS 3 19.357 1.077 -2.546
14 HA LYS 3 HA LYS 3 20.823 -1.431 -2.330
15 HB2 LYS 3 HB3 LYS 3 17.902 -0.603 -2.232
16 HB3 LYS 3 HB2 LYS 3 18.384 -2.295 -2.184
17 HG2 LYS 3 HG3 LYS 3 19.452 -0.247 -0.200
18 HG3 LYS 3 HG2 LYS 3 17.951 -1.146 0.051
19 HD2 LYS 3 HD3 LYS 3 19.133 -3.271 -0.010
20 HD3 LYS 3 HD2 LYS 3 20.678 -2.447 -0.333
21 HE2 LYS 3 HE3 LYS 3 20.472 -1.244 1.820
22 HE3 LYS 3 HE2 LYS 3 18.928 -2.062 2.131
23 HZ1 LYS 3 HZ1 LYS 3 20.739 -3.132 3.243
24 HZ2 LYS 3 HZ2 LYS 3 21.529 -3.384 1.817
25 HZ3 LYS 3 HZ3 LYS 3 20.093 -4.141 2.109
26 H GLY 4 H GLY 4 21.431 -2.642 -4.022
27 HA2 GLY 4 HA2 GLY 4 20.676 -2.034 -6.732
28 HA3 GLY 4 HA3 GLY 4 21.707 -3.355 -6.162
29 H PHE 5 H PHE 5 20.188 -4.089 -8.198
30 HA PHE 5 HA PHE 5 17.545 -4.840 -7.781
31 HB2 PHE 5 HB3 PHE 5 18.635 -4.525 -9.939
32 HB3 PHE 5 HB2 PHE 5 19.787 -5.805 -9.595
33 HD1 PHE 5 HD1 PHE 5 16.023 -5.465 -9.423
34 HD2 PHE 5 HD2 PHE 5 19.423 -7.726 -10.833
35 HE1 PHE 5 HE1 PHE 5 14.499 -7.186 -10.362
36 HE2 PHE 5 HE2 PHE 5 17.888 -9.424 -11.788
37 HZ PHE 5 HZ PHE 5 15.438 -9.149 -11.537
38 H GLY 6 H GLY 6 16.738 -6.313 -6.454
39 HA2 GLY 6 HA2 GLY 6 16.361 -8.331 -5.484
40 HA3 GLY 6 HA3 GLY 6 17.889 -8.963 -6.106
41 H LYS 7 H LYS 7 17.465 -5.982 -4.165
42 HA LYS 7 HA LYS 7 18.777 -7.263 -1.807
43 HB2 LYS 7 HB3 LYS 7 19.000 -4.413 -2.831
44 HB3 LYS 7 HB2 LYS 7 19.663 -4.996 -1.325
45 HG2 LYS 7 HG3 LYS 7 20.504 -5.990 -4.083
46 HG3 LYS 7 HG2 LYS 7 21.350 -4.777 -3.136
47 HD2 LYS 7 HD3 LYS 7 20.982 -7.712 -2.417
48 HD3 LYS 7 HD2 LYS 7 22.473 -6.919 -2.915
49 HE2 LYS 7 HE3 LYS 7 20.940 -6.404 -0.333
50 HE3 LYS 7 HE2 LYS 7 22.451 -7.310 -0.499
51 HZ1 LYS 7 HZ1 LYS 7 22.104 -4.460 -1.091
52 HZ2 LYS 7 HZ2 LYS 7 23.509 -5.311 -1.242
53 HZ3 LYS 7 HZ3 LYS 7 22.834 -5.090 0.247
54 H SER 8 H SER 8 17.705 -7.143 0.046
55 HA SER 8 HA SER 8 14.999 -6.390 0.190
56 HB2 SER 8 HB3 SER 8 16.067 -8.117 1.591
57 HB3 SER 8 HB2 SER 8 16.989 -6.862 2.445
58 HG SER 8 HG SER 8 14.969 -5.955 3.066
59 H CYS 9 H CYS 9 14.088 -4.489 0.356
60 HA CYS 9 HA CYS 9 15.684 -2.076 0.667
61 HB2 CYS 9 HB3 CYS 9 13.724 -0.972 -0.175
62 HB3 CYS 9 HB2 CYS 9 13.985 -2.416 -1.117
63 H VAL 10 H VAL 10 14.632 -0.218 1.743
64 HA VAL 10 HA VAL 10 13.517 -0.629 4.431
65 HB VAL 10 HB VAL 10 14.261 1.761 2.705
66 HG11 VAL 10 HG11 VAL 10 12.810 1.895 5.375
67 HG12 VAL 10 HG12 VAL 10 12.201 2.462 3.803
68 HG13 VAL 10 HG13 VAL 10 13.583 3.264 4.543
69 HG21 VAL 10 HG21 VAL 10 15.822 2.257 4.528
70 HG22 VAL 10 HG22 VAL 10 16.069 0.584 4.002
71 HG23 VAL 10 HG23 VAL 10 15.171 0.912 5.494
72 HA PRO 11 HA PRO 11 9.399 -0.520 2.464
73 HB2 PRO 11 HB3 PRO 11 7.824 -0.187 4.683
74 HB3 PRO 11 HB2 PRO 11 8.590 -1.738 4.234
75 HG2 PRO 11 HG3 PRO 11 9.557 0.306 6.249
76 HG3 PRO 11 HG2 PRO 11 9.473 -1.475 6.425
77 HD2 PRO 11 HD3 PRO 11 11.773 -0.140 5.750
78 HD3 PRO 11 HD2 PRO 11 11.417 -1.781 5.147
79 H GLY 12 H GLY 12 9.567 1.258 1.280
80 HA2 GLY 12 HA2 GLY 12 8.343 3.718 1.721
81 HA3 GLY 12 HA3 GLY 12 10.065 3.880 2.146
82 H LYS 13 H LYS 13 10.835 1.689 0.277
83 HA LYS 13 HA LYS 13 11.534 1.232 -1.712
84 HB2 LYS 13 HB3 LYS 13 9.614 3.157 -3.065
85 HB3 LYS 13 HB2 LYS 13 10.351 1.694 -3.711
86 HG2 LYS 13 HG3 LYS 13 8.943 0.380 -2.017
87 HG3 LYS 13 HG2 LYS 13 8.108 1.891 -1.653
88 HD2 LYS 13 HD3 LYS 13 7.430 2.104 -4.027
89 HD3 LYS 13 HD2 LYS 13 8.258 0.572 -4.389
90 HE2 LYS 13 HE3 LYS 13 6.798 -0.581 -2.727
91 HE3 LYS 13 HE2 LYS 13 5.938 0.945 -2.448
92 HZ1 LYS 13 HZ1 LYS 13 6.112 -0.484 -5.007
93 HZ2 LYS 13 HZ2 LYS 13 5.306 0.932 -4.749
94 HZ3 LYS 13 HZ3 LYS 13 4.801 -0.452 -4.006
95 H ASN 14 H ASN 14 12.070 3.838 -0.107
96 HA ASN 14 HA ASN 14 13.020 5.763 -1.905
97 HB2 ASN 14 HB3 ASN 14 13.972 6.845 0.093
98 HB3 ASN 14 HB2 ASN 14 12.300 6.352 0.322
99 HD21 ASN 14 HD21 ASN 14 15.551 6.056 1.505
100 HD22 ASN 14 HD22 ASN 14 15.226 4.909 2.785
101 H GLU 15 H GLU 15 14.562 2.992 -0.344
102 HA GLU 15 HA GLU 15 17.285 3.790 -0.671
103 HB2 GLU 15 HB3 GLU 15 15.921 1.113 -0.212
104 HB3 GLU 15 HB2 GLU 15 17.666 1.262 -0.403
105 HG2 GLU 15 HG3 GLU 15 16.071 2.733 1.720
106 HG3 GLU 15 HG2 GLU 15 16.956 1.220 1.965
107 H CYS 16 H CYS 16 15.177 1.686 -2.708
108 HA CYS 16 HA CYS 16 17.126 0.514 -4.214
109 HB2 CYS 16 HB3 CYS 16 14.337 1.284 -5.115
110 HB3 CYS 16 HB2 CYS 16 15.375 0.069 -5.859
111 H CYS 17 H CYS 17 18.298 0.899 -6.011
112 HA CYS 17 HA CYS 17 19.090 3.521 -6.612
113 HB2 CYS 17 HB3 CYS 17 19.537 0.998 -8.243
114 HB3 CYS 17 HB2 CYS 17 20.471 2.474 -8.354
115 H SER 18 H SER 18 19.422 4.226 -8.984
116 HA SER 18 HA SER 18 16.933 5.005 -10.109
117 HB2 SER 18 HB3 SER 18 19.002 6.327 -10.237
118 HB3 SER 18 HB2 SER 18 19.750 5.083 -11.261
119 HG SER 18 HG SER 18 18.067 5.469 -12.775
120 H GLY 19 H GLY 19 15.595 3.610 -11.002
121 HA2 GLY 19 HA2 GLY 19 14.909 2.500 -13.022
122 HA3 GLY 19 HA3 GLY 19 16.493 1.725 -13.126
123 H LEU 20 H LEU 20 15.100 1.978 -9.952
124 HA LEU 20 HA LEU 20 13.976 -0.764 -9.980
125 HB2 LEU 20 HB3 LEU 20 15.903 0.369 -7.928
126 HB3 LEU 20 HB2 LEU 20 15.113 -1.201 -7.831
127 HG LEU 20 HG LEU 20 17.128 -0.415 -9.970
128 HD11 LEU 20 HD11 LEU 20 18.738 -1.736 -8.726
129 HD12 LEU 20 HD12 LEU 20 17.509 -2.159 -7.506
130 HD13 LEU 20 HD13 LEU 20 18.071 -0.490 -7.658
131 HD21 LEU 20 HD21 LEU 20 15.976 -3.141 -9.209
132 HD22 LEU 20 HD22 LEU 20 17.235 -2.835 -10.433
133 HD23 LEU 20 HD23 LEU 20 15.604 -2.236 -10.686
134 H THR 21 H THR 21 12.779 -1.199 -7.971
135 HA THR 21 HA THR 21 11.747 0.880 -6.308
136 HB THR 21 HB THR 21 10.514 1.456 -8.377
137 HG1 THR 21 HG1 THR 21 8.476 1.398 -7.389
138 HG21 THR 21 HG21 THR 21 8.799 0.055 -9.338
139 HG22 THR 21 HG22 THR 21 9.112 -1.247 -8.182
140 HG23 THR 21 HG23 THR 21 10.325 -0.836 -9.415
141 H CYS 22 H CYS 22 11.002 -0.114 -4.423
142 HA CYS 22 HA CYS 22 11.505 -2.914 -4.270
143 HB2 CYS 22 HB3 CYS 22 11.917 -1.198 -2.467
144 HB3 CYS 22 HB2 CYS 22 10.188 -1.287 -2.104
145 H SER 23 H SER 23 10.243 -4.606 -4.415
146 HA SER 23 HA SER 23 7.594 -4.605 -5.353
147 HB2 SER 23 HB3 SER 23 9.334 -6.402 -5.620
148 HB3 SER 23 HB2 SER 23 9.150 -6.793 -3.909
149 HG SER 23 HG SER 23 7.104 -6.873 -5.880
150 H ASN 24 H ASN 24 5.628 -4.911 -4.359
151 HA ASN 24 HA ASN 24 5.273 -4.413 -1.544
152 HB2 ASN 24 HB3 ASN 24 2.922 -4.851 -1.982
153 HB3 ASN 24 HB2 ASN 24 3.594 -3.732 -3.159
154 HD21 ASN 24 HD21 ASN 24 1.847 -6.667 -2.732
155 HD22 ASN 24 HD22 ASN 24 1.811 -7.173 -4.406
156 H LYS 25 H LYS 25 5.108 -7.341 -3.625
157 HA LYS 25 HA LYS 25 4.360 -9.111 -1.506
158 HB2 LYS 25 HB3 LYS 25 3.747 -9.347 -3.898
159 HB3 LYS 25 HB2 LYS 25 5.429 -9.702 -4.301
160 HG2 LYS 25 HG3 LYS 25 5.333 -11.707 -2.776
161 HG3 LYS 25 HG2 LYS 25 3.639 -11.338 -2.436
162 HD2 LYS 25 HD3 LYS 25 4.785 -11.984 -5.192
163 HD3 LYS 25 HD2 LYS 25 3.950 -13.133 -4.133
164 HE2 LYS 25 HE3 LYS 25 1.910 -11.716 -4.205
165 HE3 LYS 25 HE2 LYS 25 2.735 -10.599 -5.310
166 HZ1 LYS 25 HZ1 LYS 25 2.954 -12.392 -6.864
167 HZ2 LYS 25 HZ2 LYS 25 1.368 -12.152 -6.479
168 HZ3 LYS 25 HZ3 LYS 25 2.187 -13.432 -5.838
169 H HIS 26 H HIS 26 7.380 -8.956 -3.496
170 HA HIS 26 HA HIS 26 8.726 -10.905 -1.896
171 HB2 HIS 26 HB3 HIS 26 9.803 -9.006 -4.011
172 HB3 HIS 26 HB2 HIS 26 10.609 -10.451 -3.401
173 HD1 HIS 26 HD1 HIS 26 7.981 -9.398 -5.908
174 HD2 HIS 26 HD2 HIS 26 9.429 -12.880 -4.056
175 HE1 HIS 26 HE1 HIS 26 7.069 -11.371 -7.245
176 H LYS 27 H LYS 27 8.522 -7.422 -1.690
177 HA LYS 27 HA LYS 27 9.685 -5.793 -0.742
178 HB2 LYS 27 HB3 LYS 27 8.604 -6.962 1.187
179 HB3 LYS 27 HB2 LYS 27 10.164 -7.716 1.546
180 HG2 LYS 27 HG3 LYS 27 11.177 -5.470 1.855
181 HG3 LYS 27 HG2 LYS 27 9.655 -4.701 1.376
182 HD2 LYS 27 HD3 LYS 27 8.509 -5.663 3.317
183 HD3 LYS 27 HD2 LYS 27 9.977 -6.529 3.803
184 HE2 LYS 27 HE3 LYS 27 9.789 -3.497 3.551
185 HE3 LYS 27 HE2 LYS 27 9.519 -4.383 5.064
186 HZ1 LYS 27 HZ1 LYS 27 11.732 -5.238 4.901
187 HZ2 LYS 27 HZ2 LYS 27 11.747 -3.588 4.903
188 HZ3 LYS 27 HZ3 LYS 27 11.995 -4.414 3.497
189 H TRP 28 H TRP 28 11.086 -6.575 -2.687
190 HA TRP 28 HA TRP 28 13.733 -5.840 -1.781
191 HB2 TRP 28 HB3 TRP 28 14.986 -7.452 -2.926
192 HB3 TRP 28 HB2 TRP 28 13.870 -8.316 -1.907
193 HD1 TRP 28 HD1 TRP 28 11.774 -7.687 -4.794
194 HE1 TRP 28 HE1 TRP 28 11.887 -9.493 -6.539
195 HE3 TRP 28 HE3 TRP 28 15.969 -10.077 -3.130
196 HZ2 TRP 28 HZ2 TRP 28 13.587 -11.779 -7.160
197 HZ3 TRP 28 HZ3 TRP 28 16.814 -12.079 -4.323
198 HH2 TRP 28 HH2 TRP 28 15.636 -12.934 -6.335
199 H CYS 29 H CYS 29 15.043 -4.939 -3.559
200 HA CYS 29 HA CYS 29 13.498 -3.208 -5.224
201 HB2 CYS 29 HB3 CYS 29 16.425 -3.931 -5.306
202 HB3 CYS 29 HB2 CYS 29 15.688 -2.556 -6.127
203 H LYS 30 H LYS 30 12.638 -3.527 -7.154
204 HA LYS 30 HA LYS 30 13.744 -5.532 -9.012
205 HB2 LYS 30 HB3 LYS 30 11.532 -6.304 -9.629
206 HB3 LYS 30 HB2 LYS 30 11.909 -6.694 -7.956
207 HG2 LYS 30 HG3 LYS 30 10.467 -4.951 -7.120
208 HG3 LYS 30 HG2 LYS 30 10.235 -4.264 -8.722
209 HD2 LYS 30 HD3 LYS 30 9.279 -7.020 -7.853
210 HD3 LYS 30 HD2 LYS 30 8.274 -5.571 -7.923
211 HE2 LYS 30 HE3 LYS 30 9.647 -6.898 -10.297
212 HE3 LYS 30 HE2 LYS 30 7.933 -7.027 -9.879
213 HZ1 LYS 30 HZ1 LYS 30 8.305 -5.404 -11.570
214 HZ2 LYS 30 HZ2 LYS 30 9.327 -4.549 -10.597
215 HZ3 LYS 30 HZ3 LYS 30 7.730 -4.676 -10.206
216 H VAL 31 H VAL 31 13.171 -5.173 -11.218
217 HA VAL 31 HA VAL 31 13.934 -2.594 -11.870
218 HB VAL 31 HB VAL 31 12.790 -4.667 -13.767
219 HG11 VAL 31 HG11 VAL 31 14.749 -2.361 -14.189
220 HG12 VAL 31 HG12 VAL 31 13.082 -2.443 -14.806
221 HG13 VAL 31 HG13 VAL 31 14.302 -3.570 -15.411
222 HG21 VAL 31 HG21 VAL 31 14.574 -5.720 -12.481
223 HG22 VAL 31 HG22 VAL 31 15.190 -5.340 -14.086
224 HG23 VAL 31 HG23 VAL 31 15.634 -4.309 -12.707
225 H LEU 32 H LEU 32 12.861 -0.801 -11.695
226 HA LEU 32 HA LEU 32 10.059 -0.402 -12.281
227 HB2 LEU 32 HB3 LEU 32 11.227 1.030 -10.694
228 HB3 LEU 32 HB2 LEU 32 12.419 1.475 -11.902
229 HG LEU 32 HG LEU 32 10.671 2.691 -13.174
230 HD11 LEU 32 HD11 LEU 32 8.454 3.111 -12.154
231 HD12 LEU 32 HD12 LEU 32 8.821 1.947 -10.864
232 HD13 LEU 32 HD13 LEU 32 8.658 1.401 -12.550
233 HD21 LEU 32 HD21 LEU 32 10.824 3.451 -10.228
234 HD22 LEU 32 HD22 LEU 32 12.029 3.847 -11.473
235 HD23 LEU 32 HD23 LEU 32 10.400 4.536 -11.571
236 H LEU 33 H LEU 33 13.058 0.637 -13.786
237 HA LEU 33 HA LEU 33 12.067 0.124 -16.526
238 HB2 LEU 33 HB3 LEU 33 13.184 2.769 -15.508
239 HB3 LEU 33 HB2 LEU 33 13.133 2.342 -17.215
240 HG LEU 33 HG LEU 33 10.659 2.552 -15.444
241 HD11 LEU 33 HD11 LEU 33 11.787 4.527 -17.470
242 HD12 LEU 33 HD12 LEU 33 11.772 4.733 -15.704
243 HD13 LEU 33 HD13 LEU 33 10.245 4.684 -16.599
244 HD21 LEU 33 HD21 LEU 33 10.946 2.285 -18.471
245 HD22 LEU 33 HD22 LEU 33 9.428 2.593 -17.602
246 HD23 LEU 33 HD23 LEU 33 10.274 1.062 -17.370
247 HN1 NH2 34 HN1 AMD 34 13.565 -0.993 -17.637
248 HN2 NH2 34 HN2 AMD 34 15.269 -1.065 -17.247
Start of MODEL 11
1 H1 GLU 1 H1 AMN 0 24.059 5.215 -1.798
2 H2 GLU 1 H2 AMN 0 25.414 5.058 -0.870
3 H3 GLU 1 H3 AMN 0 24.983 3.854 -1.913
4 HA GLU 1 HA GLU 1 24.497 3.243 0.298
5 HB2 GLU 1 HB3 GLU 1 22.847 4.452 1.630
6 HB3 GLU 1 HB2 GLU 1 24.242 5.441 1.241
7 HG2 GLU 1 HG3 GLU 1 22.318 6.833 1.069
8 HG3 GLU 1 HG2 GLU 1 22.927 6.585 -0.561
9 H CYS 2 H CYS 2 22.895 3.860 -2.609
10 HA CYS 2 HA CYS 2 20.313 2.903 -2.012
11 HB2 CYS 2 HB3 CYS 2 19.903 3.037 -4.361
12 HB3 CYS 2 HB2 CYS 2 20.904 4.391 -3.882
13 H LYS 3 H LYS 3 19.248 1.012 -2.454
14 HA LYS 3 HA LYS 3 20.816 -1.455 -2.254
15 HB2 LYS 3 HB3 LYS 3 17.862 -0.753 -2.180
16 HB3 LYS 3 HB2 LYS 3 18.418 -2.422 -2.182
17 HG2 LYS 3 HG3 LYS 3 19.285 -0.372 -0.106
18 HG3 LYS 3 HG2 LYS 3 17.886 -1.433 0.081
19 HD2 LYS 3 HD3 LYS 3 19.333 -3.419 -0.081
20 HD3 LYS 3 HD2 LYS 3 20.767 -2.388 -0.234
21 HE2 LYS 3 HE3 LYS 3 18.844 -2.393 2.130
22 HE3 LYS 3 HE2 LYS 3 20.395 -3.250 2.079
23 HZ1 LYS 3 HZ1 LYS 3 21.485 -1.151 1.800
24 HZ2 LYS 3 HZ2 LYS 3 20.585 -1.157 3.182
25 HZ3 LYS 3 HZ3 LYS 3 20.046 -0.347 1.850
26 H GLY 4 H GLY 4 21.511 -2.536 -4.000
27 HA2 GLY 4 HA2 GLY 4 20.764 -1.883 -6.686
28 HA3 GLY 4 HA3 GLY 4 21.786 -3.223 -6.144
29 H PHE 5 H PHE 5 20.297 -3.883 -8.221
30 HA PHE 5 HA PHE 5 17.655 -4.663 -7.873
31 HB2 PHE 5 HB3 PHE 5 18.753 -4.305 -10.011
32 HB3 PHE 5 HB2 PHE 5 19.946 -5.547 -9.666
33 HD1 PHE 5 HD1 PHE 5 16.171 -5.436 -9.431
34 HD2 PHE 5 HD2 PHE 5 19.673 -7.380 -11.054
35 HE1 PHE 5 HE1 PHE 5 14.742 -7.215 -10.404
36 HE2 PHE 5 HE2 PHE 5 18.229 -9.135 -12.045
37 HZ PHE 5 HZ PHE 5 15.777 -9.051 -11.701
38 H GLY 6 H GLY 6 16.824 -6.177 -6.622
39 HA2 GLY 6 HA2 GLY 6 16.428 -8.203 -5.689
40 HA3 GLY 6 HA3 GLY 6 17.942 -8.837 -6.342
41 H LYS 7 H LYS 7 17.610 -5.916 -4.298
42 HA LYS 7 HA LYS 7 18.867 -7.322 -1.986
43 HB2 LYS 7 HB3 LYS 7 19.283 -4.452 -2.889
44 HB3 LYS 7 HB2 LYS 7 19.954 -5.182 -1.450
45 HG2 LYS 7 HG3 LYS 7 20.617 -5.986 -4.317
46 HG3 LYS 7 HG2 LYS 7 21.610 -4.985 -3.267
47 HD2 LYS 7 HD3 LYS 7 20.940 -7.923 -2.801
48 HD3 LYS 7 HD2 LYS 7 22.471 -7.270 -3.388
49 HE2 LYS 7 HE3 LYS 7 22.761 -6.027 -1.258
50 HE3 LYS 7 HE2 LYS 7 21.238 -6.715 -0.659
51 HZ1 LYS 7 HZ1 LYS 7 23.619 -8.246 -1.423
52 HZ2 LYS 7 HZ2 LYS 7 22.202 -8.882 -0.868
53 HZ3 LYS 7 HZ3 LYS 7 23.122 -7.933 0.119
54 H SER 8 H SER 8 17.807 -7.179 -0.134
55 HA SER 8 HA SER 8 15.117 -6.439 -0.033
56 HB2 SER 8 HB3 SER 8 17.110 -6.986 2.198
57 HB3 SER 8 HB2 SER 8 15.352 -6.868 2.414
58 HG SER 8 HG SER 8 15.136 -8.580 0.913
59 H CYS 9 H CYS 9 14.134 -4.575 0.167
60 HA CYS 9 HA CYS 9 15.659 -2.129 0.598
61 HB2 CYS 9 HB3 CYS 9 13.749 -1.031 -0.294
62 HB3 CYS 9 HB2 CYS 9 13.999 -2.466 -1.252
63 H VAL 10 H VAL 10 14.558 -0.345 1.697
64 HA VAL 10 HA VAL 10 13.314 -0.867 4.311
65 HB VAL 10 HB VAL 10 14.078 1.631 2.742
66 HG11 VAL 10 HG11 VAL 10 12.610 1.506 5.404
67 HG12 VAL 10 HG12 VAL 10 11.999 2.188 3.881
68 HG13 VAL 10 HG13 VAL 10 13.351 2.964 4.700
69 HG21 VAL 10 HG21 VAL 10 15.615 2.041 4.611
70 HG22 VAL 10 HG22 VAL 10 15.928 0.435 3.938
71 HG23 VAL 10 HG23 VAL 10 15.021 0.590 5.454
72 HA PRO 11 HA PRO 11 9.322 -0.680 2.077
73 HB2 PRO 11 HB3 PRO 11 7.614 -0.516 4.221
74 HB3 PRO 11 HB2 PRO 11 8.403 -2.027 3.687
75 HG2 PRO 11 HG3 PRO 11 9.265 -0.161 5.912
76 HG3 PRO 11 HG2 PRO 11 9.156 -1.948 5.945
77 HD2 PRO 11 HD3 PRO 11 11.504 -0.619 5.515
78 HD3 PRO 11 HD2 PRO 11 11.152 -2.182 4.720
79 H GLY 12 H GLY 12 9.500 1.184 1.036
80 HA2 GLY 12 HA2 GLY 12 8.209 3.574 1.603
81 HA3 GLY 12 HA3 GLY 12 9.896 3.743 2.144
82 H LYS 13 H LYS 13 10.794 1.714 0.110
83 HA LYS 13 HA LYS 13 11.623 1.471 -1.869
84 HB2 LYS 13 HB3 LYS 13 9.693 3.572 -2.964
85 HB3 LYS 13 HB2 LYS 13 10.634 2.434 -3.913
86 HG2 LYS 13 HG3 LYS 13 9.325 0.568 -3.202
87 HG3 LYS 13 HG2 LYS 13 8.503 1.509 -1.943
88 HD2 LYS 13 HD3 LYS 13 7.405 2.903 -3.623
89 HD3 LYS 13 HD2 LYS 13 8.316 2.119 -4.919
90 HE2 LYS 13 HE3 LYS 13 6.058 1.233 -4.856
91 HE3 LYS 13 HE2 LYS 13 7.212 -0.033 -4.412
92 HZ1 LYS 13 HZ1 LYS 13 6.663 0.368 -2.120
93 HZ2 LYS 13 HZ2 LYS 13 5.311 -0.018 -2.982
94 HZ3 LYS 13 HZ3 LYS 13 5.590 1.547 -2.543
95 H ASN 14 H ASN 14 12.047 3.903 0.060
96 HA ASN 14 HA ASN 14 13.185 5.971 -1.421
97 HB2 ASN 14 HB3 ASN 14 14.142 6.712 0.751
98 HB3 ASN 14 HB2 ASN 14 12.422 6.350 0.812
99 HD21 ASN 14 HD21 ASN 14 15.587 5.496 2.050
100 HD22 ASN 14 HD22 ASN 14 15.050 4.267 3.173
101 H GLU 15 H GLU 15 14.533 2.914 -0.305
102 HA GLU 15 HA GLU 15 17.307 3.636 -0.496
103 HB2 GLU 15 HB3 GLU 15 15.832 0.982 -0.338
104 HB3 GLU 15 HB2 GLU 15 17.581 1.091 -0.524
105 HG2 GLU 15 HG3 GLU 15 16.015 2.316 1.768
106 HG3 GLU 15 HG2 GLU 15 16.909 0.791 1.827
107 H CYS 16 H CYS 16 15.193 1.676 -2.703
108 HA CYS 16 HA CYS 16 17.172 0.568 -4.129
109 HB2 CYS 16 HB3 CYS 16 14.436 1.340 -5.173
110 HB3 CYS 16 HB2 CYS 16 15.512 0.143 -5.894
111 H CYS 17 H CYS 17 18.419 0.877 -5.877
112 HA CYS 17 HA CYS 17 19.268 3.478 -6.557
113 HB2 CYS 17 HB3 CYS 17 19.809 0.852 -7.987
114 HB3 CYS 17 HB2 CYS 17 20.747 2.321 -8.149
115 H SER 18 H SER 18 19.780 3.879 -9.028
116 HA SER 18 HA SER 18 17.450 4.843 -10.250
117 HB2 SER 18 HB3 SER 18 19.714 5.765 -10.535
118 HB3 SER 18 HB2 SER 18 20.203 4.312 -11.434
119 HG SER 18 HG SER 18 18.137 6.124 -12.158
120 H GLY 19 H GLY 19 15.898 3.784 -11.220
121 HA2 GLY 19 HA2 GLY 19 14.940 2.672 -13.028
122 HA3 GLY 19 HA3 GLY 19 16.431 1.762 -13.295
123 H LEU 20 H LEU 20 15.122 2.040 -10.051
124 HA LEU 20 HA LEU 20 13.969 -0.701 -10.124
125 HB2 LEU 20 HB3 LEU 20 15.803 0.442 -7.998
126 HB3 LEU 20 HB2 LEU 20 15.053 -1.148 -7.958
127 HG LEU 20 HG LEU 20 17.115 -0.266 -10.017
128 HD11 LEU 20 HD11 LEU 20 18.723 -1.571 -8.753
129 HD12 LEU 20 HD12 LEU 20 17.476 -2.041 -7.572
130 HD13 LEU 20 HD13 LEU 20 17.996 -0.355 -7.691
131 HD21 LEU 20 HD21 LEU 20 16.022 -3.042 -9.354
132 HD22 LEU 20 HD22 LEU 20 17.310 -2.667 -10.528
133 HD23 LEU 20 HD23 LEU 20 15.671 -2.109 -10.823
134 H THR 21 H THR 21 12.709 -1.169 -8.207
135 HA THR 21 HA THR 21 11.592 0.906 -6.556
136 HB THR 21 HB THR 21 10.339 1.362 -8.622
137 HG1 THR 21 HG1 THR 21 9.335 1.530 -6.591
138 HG21 THR 21 HG21 THR 21 8.777 -0.178 -9.634
139 HG22 THR 21 HG22 THR 21 9.166 -1.452 -8.470
140 HG23 THR 21 HG23 THR 21 10.375 -0.936 -9.665
141 H CYS 22 H CYS 22 10.944 -0.071 -4.638
142 HA CYS 22 HA CYS 22 11.494 -2.874 -4.433
143 HB2 CYS 22 HB3 CYS 22 11.956 -1.169 -2.646
144 HB3 CYS 22 HB2 CYS 22 10.226 -1.197 -2.264
145 H SER 23 H SER 23 10.232 -4.552 -4.605
146 HA SER 23 HA SER 23 7.497 -4.573 -5.308
147 HB2 SER 23 HB3 SER 23 9.191 -6.363 -5.749
148 HB3 SER 23 HB2 SER 23 9.233 -6.732 -4.023
149 HG SER 23 HG SER 23 6.985 -7.202 -4.177
150 H ASN 24 H ASN 24 5.658 -4.583 -4.081
151 HA ASN 24 HA ASN 24 5.685 -4.200 -1.226
152 HB2 ASN 24 HB3 ASN 24 3.267 -4.344 -1.396
153 HB3 ASN 24 HB2 ASN 24 3.921 -3.268 -2.623
154 HD21 ASN 24 HD21 ASN 24 1.981 -6.077 -2.035
155 HD22 ASN 24 HD22 ASN 24 1.669 -6.499 -3.705
156 H LYS 25 H LYS 25 5.149 -6.980 -3.394
157 HA LYS 25 HA LYS 25 4.299 -8.839 -1.420
158 HB2 LYS 25 HB3 LYS 25 3.734 -8.901 -3.793
159 HB3 LYS 25 HB2 LYS 25 5.401 -9.205 -4.244
160 HG2 LYS 25 HG3 LYS 25 3.872 -11.100 -2.408
161 HG3 LYS 25 HG2 LYS 25 3.675 -11.143 -4.160
162 HD2 LYS 25 HD3 LYS 25 6.162 -11.480 -4.402
163 HD3 LYS 25 HD2 LYS 25 6.254 -11.677 -2.636
164 HE2 LYS 25 HE3 LYS 25 4.691 -13.558 -2.731
165 HE3 LYS 25 HE2 LYS 25 4.506 -13.342 -4.483
166 HZ1 LYS 25 HZ1 LYS 25 6.057 -15.069 -3.961
167 HZ2 LYS 25 HZ2 LYS 25 7.006 -14.024 -3.106
168 HZ3 LYS 25 HZ3 LYS 25 6.822 -13.829 -4.733
169 H HIS 26 H HIS 26 7.379 -8.851 -3.321
170 HA HIS 26 HA HIS 26 8.582 -10.804 -1.638
171 HB2 HIS 26 HB3 HIS 26 8.962 -10.404 -4.098
172 HB3 HIS 26 HB2 HIS 26 9.917 -8.988 -3.681
173 HD1 HIS 26 HD1 HIS 26 12.060 -9.806 -1.793
174 HD2 HIS 26 HD2 HIS 26 10.354 -12.528 -4.498
175 HE1 HIS 26 HE1 HIS 26 13.710 -11.738 -2.026
176 H LYS 27 H LYS 27 8.765 -7.265 -1.726
177 HA LYS 27 HA LYS 27 9.937 -5.696 -0.694
178 HB2 LYS 27 HB3 LYS 27 10.156 -7.622 1.631
179 HB3 LYS 27 HB2 LYS 27 10.594 -5.910 1.637
180 HG2 LYS 27 HG3 LYS 27 8.237 -5.325 0.994
181 HG3 LYS 27 HG2 LYS 27 7.813 -7.040 1.088
182 HD2 LYS 27 HD3 LYS 27 7.127 -5.944 3.127
183 HD3 LYS 27 HD2 LYS 27 8.453 -7.060 3.496
184 HE2 LYS 27 HE3 LYS 27 10.048 -5.172 3.527
185 HE3 LYS 27 HE2 LYS 27 8.748 -4.054 3.074
186 HZ1 LYS 27 HZ1 LYS 27 9.176 -4.022 5.412
187 HZ2 LYS 27 HZ2 LYS 27 8.868 -5.638 5.542
188 HZ3 LYS 27 HZ3 LYS 27 7.657 -4.598 5.125
189 H TRP 28 H TRP 28 11.209 -6.517 -2.625
190 HA TRP 28 HA TRP 28 13.849 -5.805 -1.771
191 HB2 TRP 28 HB3 TRP 28 15.139 -7.360 -2.929
192 HB3 TRP 28 HB2 TRP 28 14.048 -8.284 -1.937
193 HD1 TRP 28 HD1 TRP 28 11.962 -7.642 -4.843
194 HE1 TRP 28 HE1 TRP 28 12.138 -9.430 -6.605
195 HE3 TRP 28 HE3 TRP 28 16.171 -9.983 -3.136
196 HZ2 TRP 28 HZ2 TRP 28 13.882 -11.678 -7.221
197 HZ3 TRP 28 HZ3 TRP 28 17.059 -11.965 -4.327
198 HH2 TRP 28 HH2 TRP 28 15.928 -12.818 -6.368
199 H CYS 29 H CYS 29 15.133 -4.935 -3.628
200 HA CYS 29 HA CYS 29 13.517 -3.231 -5.279
201 HB2 CYS 29 HB3 CYS 29 16.456 -3.902 -5.423
202 HB3 CYS 29 HB2 CYS 29 15.666 -2.542 -6.223
203 H LYS 30 H LYS 30 12.743 -3.529 -7.269
204 HA LYS 30 HA LYS 30 13.880 -5.575 -9.053
205 HB2 LYS 30 HB3 LYS 30 11.708 -6.397 -9.717
206 HB3 LYS 30 HB2 LYS 30 12.021 -6.733 -8.021
207 HG2 LYS 30 HG3 LYS 30 10.537 -4.933 -7.315
208 HG3 LYS 30 HG2 LYS 30 10.303 -4.397 -8.982
209 HD2 LYS 30 HD3 LYS 30 9.459 -7.125 -7.923
210 HD3 LYS 30 HD2 LYS 30 8.395 -5.715 -8.059
211 HE2 LYS 30 HE3 LYS 30 8.793 -5.644 -10.503
212 HE3 LYS 30 HE2 LYS 30 9.833 -7.075 -10.374
213 HZ1 LYS 30 HZ1 LYS 30 7.959 -8.290 -9.546
214 HZ2 LYS 30 HZ2 LYS 30 7.625 -7.649 -11.028
215 HZ3 LYS 30 HZ3 LYS 30 6.989 -6.962 -9.671
216 H VAL 31 H VAL 31 13.353 -5.236 -11.289
217 HA VAL 31 HA VAL 31 13.986 -2.603 -11.954
218 HB VAL 31 HB VAL 31 12.968 -4.702 -13.892
219 HG11 VAL 31 HG11 VAL 31 14.938 -2.385 -14.208
220 HG12 VAL 31 HG12 VAL 31 13.267 -2.402 -14.805
221 HG13 VAL 31 HG13 VAL 31 14.452 -3.528 -15.480
222 HG21 VAL 31 HG21 VAL 31 15.770 -4.336 -12.732
223 HG22 VAL 31 HG22 VAL 31 14.728 -5.773 -12.597
224 HG23 VAL 31 HG23 VAL 31 15.392 -5.320 -14.164
225 H LEU 32 H LEU 32 12.836 -0.865 -11.999
226 HA LEU 32 HA LEU 32 10.008 -0.642 -12.054
227 HB2 LEU 32 HB3 LEU 32 11.397 1.056 -11.040
228 HB3 LEU 32 HB2 LEU 32 12.301 1.287 -12.522
229 HG LEU 32 HG LEU 32 10.254 2.266 -13.589
230 HD11 LEU 32 HD11 LEU 32 8.329 2.895 -12.171
231 HD12 LEU 32 HD12 LEU 32 9.036 2.019 -10.798
232 HD13 LEU 32 HD13 LEU 32 8.497 1.137 -12.245
233 HD21 LEU 32 HD21 LEU 32 11.943 3.698 -12.514
234 HD22 LEU 32 HD22 LEU 32 10.318 4.381 -12.333
235 HD23 LEU 32 HD23 LEU 32 11.091 3.559 -10.960
236 H LEU 33 H LEU 33 12.465 -0.012 -14.487
237 HA LEU 33 HA LEU 33 10.526 0.552 -16.599
238 HB2 LEU 33 HB3 LEU 33 13.568 0.427 -16.591
239 HB3 LEU 33 HB2 LEU 33 12.584 0.938 -17.963
240 HG LEU 33 HG LEU 33 12.703 2.356 -15.255
241 HD11 LEU 33 HD11 LEU 33 13.883 3.119 -17.958
242 HD12 LEU 33 HD12 LEU 33 14.794 2.546 -16.543
243 HD13 LEU 33 HD13 LEU 33 13.939 4.095 -16.473
244 HD21 LEU 33 HD21 LEU 33 11.489 4.193 -16.427
245 HD22 LEU 33 HD22 LEU 33 10.507 2.734 -16.282
246 HD23 LEU 33 HD23 LEU 33 11.272 3.134 -17.837
247 HN1 NH2 34 HN1 AMD 34 9.396 -1.300 -17.128
248 HN2 NH2 34 HN2 AMD 34 10.153 -2.730 -17.793
Start of MODEL 12
1 H1 GLU 1 H1 AMN 0 24.788 2.846 -1.034
2 H2 GLU 1 H2 AMN 0 24.993 3.715 -2.421
3 H3 GLU 1 H3 AMN 0 25.839 4.117 -1.063
4 HA GLU 1 HA GLU 1 23.875 4.697 0.081
5 HB2 GLU 1 HB3 GLU 1 23.369 6.770 -1.069
6 HB3 GLU 1 HB2 GLU 1 25.099 6.438 -1.111
7 HG2 GLU 1 HG3 GLU 1 24.890 5.631 -3.461
8 HG3 GLU 1 HG2 GLU 1 23.152 5.959 -3.418
9 H CYS 2 H CYS 2 23.272 2.770 -2.631
10 HA CYS 2 HA CYS 2 20.366 2.848 -2.150
11 HB2 CYS 2 HB3 CYS 2 19.876 2.934 -4.500
12 HB3 CYS 2 HB2 CYS 2 20.836 4.329 -4.048
13 H LYS 3 H LYS 3 19.295 0.938 -2.523
14 HA LYS 3 HA LYS 3 20.907 -1.488 -2.325
15 HB2 LYS 3 HB3 LYS 3 17.944 -0.839 -2.215
16 HB3 LYS 3 HB2 LYS 3 18.513 -2.507 -2.277
17 HG2 LYS 3 HG3 LYS 3 19.452 -0.537 -0.151
18 HG3 LYS 3 HG2 LYS 3 18.025 -1.563 0.031
19 HD2 LYS 3 HD3 LYS 3 19.397 -3.589 -0.228
20 HD3 LYS 3 HD2 LYS 3 20.858 -2.597 -0.433
21 HE2 LYS 3 HE3 LYS 3 20.533 -1.627 1.809
22 HE3 LYS 3 HE2 LYS 3 19.058 -2.589 2.022
23 HZ1 LYS 3 HZ1 LYS 3 20.389 -4.559 1.832
24 HZ2 LYS 3 HZ2 LYS 3 20.935 -3.608 3.065
25 HZ3 LYS 3 HZ3 LYS 3 21.761 -3.664 1.638
26 H GLY 4 H GLY 4 21.528 -2.718 -3.967
27 HA2 GLY 4 HA2 GLY 4 20.820 -2.191 -6.702
28 HA3 GLY 4 HA3 GLY 4 21.812 -3.516 -6.074
29 H PHE 5 H PHE 5 20.195 -4.099 -8.143
30 HA PHE 5 HA PHE 5 17.572 -4.841 -7.749
31 HB2 PHE 5 HB3 PHE 5 18.643 -4.525 -9.887
32 HB3 PHE 5 HB2 PHE 5 19.841 -5.767 -9.545
33 HD1 PHE 5 HD1 PHE 5 16.079 -5.499 -9.495
34 HD2 PHE 5 HD2 PHE 5 19.556 -7.747 -10.715
35 HE1 PHE 5 HE1 PHE 5 14.611 -7.248 -10.486
36 HE2 PHE 5 HE2 PHE 5 18.084 -9.472 -11.720
37 HZ PHE 5 HZ PHE 5 15.623 -9.216 -11.590
38 H GLY 6 H GLY 6 16.665 -6.357 -6.562
39 HA2 GLY 6 HA2 GLY 6 16.183 -8.378 -5.647
40 HA3 GLY 6 HA3 GLY 6 17.689 -9.043 -6.287
41 H LYS 7 H LYS 7 17.605 -6.126 -4.227
42 HA LYS 7 HA LYS 7 18.609 -7.705 -1.908
43 HB2 LYS 7 HB3 LYS 7 19.448 -4.906 -2.751
44 HB3 LYS 7 HB2 LYS 7 19.914 -5.745 -1.271
45 HG2 LYS 7 HG3 LYS 7 20.908 -7.591 -2.691
46 HG3 LYS 7 HG2 LYS 7 20.630 -6.566 -4.116
47 HD2 LYS 7 HD3 LYS 7 22.042 -4.792 -3.113
48 HD3 LYS 7 HD2 LYS 7 22.290 -5.805 -1.671
49 HE2 LYS 7 HE3 LYS 7 23.325 -7.560 -3.094
50 HE3 LYS 7 HE2 LYS 7 23.130 -6.518 -4.515
51 HZ1 LYS 7 HZ1 LYS 7 25.318 -6.369 -3.591
52 HZ2 LYS 7 HZ2 LYS 7 24.723 -5.892 -2.129
53 HZ3 LYS 7 HZ3 LYS 7 24.547 -4.917 -3.448
54 H SER 8 H SER 8 17.904 -7.203 0.069
55 HA SER 8 HA SER 8 15.195 -6.490 0.277
56 HB2 SER 8 HB3 SER 8 17.341 -6.856 2.407
57 HB3 SER 8 HB2 SER 8 15.601 -6.728 2.732
58 HG SER 8 HG SER 8 16.305 -8.894 2.563
59 H CYS 9 H CYS 9 14.257 -4.600 0.326
60 HA CYS 9 HA CYS 9 15.805 -2.132 0.618
61 HB2 CYS 9 HB3 CYS 9 13.910 -1.096 -0.392
62 HB3 CYS 9 HB2 CYS 9 14.198 -2.586 -1.252
63 H VAL 10 H VAL 10 14.677 -0.294 1.624
64 HA VAL 10 HA VAL 10 13.370 -0.656 4.221
65 HB VAL 10 HB VAL 10 13.915 1.705 2.381
66 HG11 VAL 10 HG11 VAL 10 12.982 3.163 4.202
67 HG12 VAL 10 HG12 VAL 10 12.327 1.706 4.984
68 HG13 VAL 10 HG13 VAL 10 11.753 2.207 3.376
69 HG21 VAL 10 HG21 VAL 10 15.323 2.492 4.215
70 HG22 VAL 10 HG22 VAL 10 15.813 0.851 3.764
71 HG23 VAL 10 HG23 VAL 10 14.837 1.106 5.224
72 HA PRO 11 HA PRO 11 9.615 -1.434 1.760
73 HB2 PRO 11 HB3 PRO 11 7.815 -1.893 3.747
74 HB3 PRO 11 HB2 PRO 11 9.116 -3.039 3.311
75 HG2 PRO 11 HG3 PRO 11 9.125 -0.995 5.555
76 HG3 PRO 11 HG2 PRO 11 9.569 -2.730 5.637
77 HD2 PRO 11 HD3 PRO 11 11.427 -0.736 5.339
78 HD3 PRO 11 HD2 PRO 11 11.636 -2.345 4.585
79 H GLY 12 H GLY 12 9.835 0.663 1.000
80 HA2 GLY 12 HA2 GLY 12 7.583 2.320 1.072
81 HA3 GLY 12 HA3 GLY 12 8.791 3.039 2.149
82 H LYS 13 H LYS 13 10.242 1.245 -0.445
83 HA LYS 13 HA LYS 13 11.512 1.761 -2.155
84 HB2 LYS 13 HB3 LYS 13 9.189 3.611 -2.810
85 HB3 LYS 13 HB2 LYS 13 10.448 3.164 -3.950
86 HG2 LYS 13 HG3 LYS 13 9.639 1.109 -4.342
87 HG3 LYS 13 HG2 LYS 13 9.155 0.801 -2.686
88 HD2 LYS 13 HD3 LYS 13 7.636 2.571 -4.640
89 HD3 LYS 13 HD2 LYS 13 7.248 0.883 -4.288
90 HE2 LYS 13 HE3 LYS 13 7.219 3.146 -2.244
91 HE3 LYS 13 HE2 LYS 13 5.796 2.473 -3.054
92 HZ1 LYS 13 HZ1 LYS 13 6.285 0.370 -2.047
93 HZ2 LYS 13 HZ2 LYS 13 6.103 1.538 -0.896
94 HZ3 LYS 13 HZ3 LYS 13 7.610 0.995 -1.287
95 H ASN 14 H ASN 14 12.423 2.886 0.062
96 HA ASN 14 HA ASN 14 13.119 5.689 -0.474
97 HB2 ASN 14 HB3 ASN 14 12.229 4.998 1.735
98 HB3 ASN 14 HB2 ASN 14 13.636 3.962 1.972
99 HD21 ASN 14 HD21 ASN 14 15.353 4.846 3.041
100 HD22 ASN 14 HD22 ASN 14 15.633 6.560 3.249
101 H GLU 15 H GLU 15 14.556 2.539 -0.860
102 HA GLU 15 HA GLU 15 17.316 3.639 -0.702
103 HB2 GLU 15 HB3 GLU 15 16.220 0.822 -0.398
104 HB3 GLU 15 HB2 GLU 15 17.935 1.204 -0.548
105 HG2 GLU 15 HG3 GLU 15 16.116 2.263 1.645
106 HG3 GLU 15 HG2 GLU 15 17.242 0.909 1.805
107 H CYS 16 H CYS 16 15.254 1.499 -2.751
108 HA CYS 16 HA CYS 16 17.237 0.428 -4.235
109 HB2 CYS 16 HB3 CYS 16 14.431 1.070 -5.173
110 HB3 CYS 16 HB2 CYS 16 15.529 -0.077 -5.942
111 H CYS 17 H CYS 17 18.454 0.814 -5.972
112 HA CYS 17 HA CYS 17 19.229 3.415 -6.595
113 HB2 CYS 17 HB3 CYS 17 19.712 0.860 -8.163
114 HB3 CYS 17 HB2 CYS 17 20.624 2.350 -8.331
115 H SER 18 H SER 18 19.517 4.282 -8.849
116 HA SER 18 HA SER 18 17.014 4.989 -9.967
117 HB2 SER 18 HB3 SER 18 19.849 5.324 -11.027
118 HB3 SER 18 HB2 SER 18 18.407 6.113 -11.699
119 HG SER 18 HG SER 18 18.083 7.069 -9.643
120 H GLY 19 H GLY 19 15.747 3.638 -11.001
121 HA2 GLY 19 HA2 GLY 19 15.238 2.696 -13.198
122 HA3 GLY 19 HA3 GLY 19 16.781 1.841 -13.149
123 H LEU 20 H LEU 20 15.357 1.931 -10.056
124 HA LEU 20 HA LEU 20 14.086 -0.747 -10.301
125 HB2 LEU 20 HB3 LEU 20 15.834 0.257 -8.041
126 HB3 LEU 20 HB2 LEU 20 15.122 -1.345 -8.176
127 HG LEU 20 HG LEU 20 17.296 -0.226 -9.992
128 HD11 LEU 20 HD11 LEU 20 18.014 -0.572 -7.637
129 HD12 LEU 20 HD12 LEU 20 18.829 -1.661 -8.770
130 HD13 LEU 20 HD13 LEU 20 17.506 -2.265 -7.746
131 HD21 LEU 20 HD21 LEU 20 17.590 -2.600 -10.700
132 HD22 LEU 20 HD22 LEU 20 16.026 -1.947 -11.171
133 HD23 LEU 20 HD23 LEU 20 16.137 -3.043 -9.773
134 H THR 21 H THR 21 12.814 -1.230 -8.313
135 HA THR 21 HA THR 21 11.802 0.883 -6.661
136 HB THR 21 HB THR 21 10.496 1.398 -8.674
137 HG1 THR 21 HG1 THR 21 9.595 1.621 -6.602
138 HG21 THR 21 HG21 THR 21 8.799 -0.062 -9.597
139 HG22 THR 21 HG22 THR 21 9.212 -1.363 -8.472
140 HG23 THR 21 HG23 THR 21 10.364 -0.873 -9.734
141 H CYS 22 H CYS 22 11.208 -0.032 -4.728
142 HA CYS 22 HA CYS 22 11.548 -2.860 -4.479
143 HB2 CYS 22 HB3 CYS 22 12.153 -1.134 -2.721
144 HB3 CYS 22 HB2 CYS 22 10.431 -1.086 -2.302
145 H SER 23 H SER 23 10.148 -4.434 -4.622
146 HA SER 23 HA SER 23 7.382 -4.270 -5.154
147 HB2 SER 23 HB3 SER 23 8.939 -6.175 -5.617
148 HB3 SER 23 HB2 SER 23 9.020 -6.507 -3.885
149 HG SER 23 HG SER 23 7.464 -7.795 -4.970
150 H ASN 24 H ASN 24 5.590 -4.345 -3.835
151 HA ASN 24 HA ASN 24 5.747 -3.759 -1.021
152 HB2 ASN 24 HB3 ASN 24 3.891 -3.019 -2.473
153 HB3 ASN 24 HB2 ASN 24 3.426 -4.695 -2.767
154 HD21 ASN 24 HD21 ASN 24 3.825 -2.220 -0.190
155 HD22 ASN 24 HD22 ASN 24 2.629 -2.893 0.894
156 H LYS 25 H LYS 25 5.011 -6.707 -2.956
157 HA LYS 25 HA LYS 25 4.413 -8.359 -0.702
158 HB2 LYS 25 HB3 LYS 25 3.479 -8.605 -2.998
159 HB3 LYS 25 HB2 LYS 25 5.064 -9.123 -3.582
160 HG2 LYS 25 HG3 LYS 25 4.975 -11.071 -1.992
161 HG3 LYS 25 HG2 LYS 25 3.391 -10.505 -1.432
162 HD2 LYS 25 HD3 LYS 25 2.494 -10.785 -3.752
163 HD3 LYS 25 HD2 LYS 25 4.090 -11.340 -4.285
164 HE2 LYS 25 HE3 LYS 25 2.709 -13.277 -3.934
165 HE3 LYS 25 HE2 LYS 25 3.940 -13.238 -2.659
166 HZ1 LYS 25 HZ1 LYS 25 1.151 -12.351 -2.392
167 HZ2 LYS 25 HZ2 LYS 25 2.288 -12.313 -1.198
168 HZ3 LYS 25 HZ3 LYS 25 1.778 -13.759 -1.806
169 H HIS 26 H HIS 26 7.162 -8.512 -3.062
170 HA HIS 26 HA HIS 26 8.564 -10.507 -1.581
171 HB2 HIS 26 HB3 HIS 26 9.480 -8.694 -3.845
172 HB3 HIS 26 HB2 HIS 26 10.359 -10.091 -3.234
173 HD1 HIS 26 HD1 HIS 26 6.884 -9.432 -4.865
174 HD2 HIS 26 HD2 HIS 26 9.891 -12.335 -4.444
175 HE1 HIS 26 HE1 HIS 26 6.212 -11.401 -6.343
176 H LYS 27 H LYS 27 8.642 -6.995 -1.484
177 HA LYS 27 HA LYS 27 9.925 -5.448 -0.522
178 HB2 LYS 27 HB3 LYS 27 10.259 -7.542 1.643
179 HB3 LYS 27 HB2 LYS 27 10.624 -5.815 1.797
180 HG2 LYS 27 HG3 LYS 27 8.257 -5.264 1.256
181 HG3 LYS 27 HG2 LYS 27 7.883 -6.998 1.185
182 HD2 LYS 27 HD3 LYS 27 8.554 -7.259 3.548
183 HD3 LYS 27 HD2 LYS 27 8.935 -5.523 3.635
184 HE2 LYS 27 HE3 LYS 27 6.587 -4.979 3.067
185 HE3 LYS 27 HE2 LYS 27 6.206 -6.710 2.971
186 HZ1 LYS 27 HZ1 LYS 27 6.789 -6.901 5.276
187 HZ2 LYS 27 HZ2 LYS 27 5.592 -5.785 5.073
188 HZ3 LYS 27 HZ3 LYS 27 7.138 -5.291 5.365
189 H TRP 28 H TRP 28 11.167 -6.537 -2.585
190 HA TRP 28 HA TRP 28 13.890 -5.817 -1.853
191 HB2 TRP 28 HB3 TRP 28 14.982 -7.485 -3.132
192 HB3 TRP 28 HB2 TRP 28 14.000 -8.247 -1.912
193 HD1 TRP 28 HD1 TRP 28 11.741 -7.580 -4.795
194 HE1 TRP 28 HE1 TRP 28 11.475 -9.613 -6.250
195 HE3 TRP 28 HE3 TRP 28 15.627 -10.330 -2.958
196 HZ2 TRP 28 HZ2 TRP 28 12.727 -12.231 -6.536
197 HZ3 TRP 28 HZ3 TRP 28 16.061 -12.613 -3.833
198 HH2 TRP 28 HH2 TRP 28 14.615 -13.572 -5.611
199 H CYS 29 H CYS 29 15.147 -5.102 -3.754
200 HA CYS 29 HA CYS 29 13.593 -3.301 -5.371
201 HB2 CYS 29 HB3 CYS 29 16.495 -4.130 -5.602
202 HB3 CYS 29 HB2 CYS 29 15.747 -2.720 -6.353
203 H LYS 30 H LYS 30 12.821 -3.522 -7.387
204 HA LYS 30 HA LYS 30 13.871 -5.559 -9.192
205 HB2 LYS 30 HB3 LYS 30 11.633 -6.392 -9.807
206 HB3 LYS 30 HB2 LYS 30 12.186 -6.867 -8.205
207 HG2 LYS 30 HG3 LYS 30 10.692 -5.250 -7.146
208 HG3 LYS 30 HG2 LYS 30 10.241 -4.572 -8.717
209 HD2 LYS 30 HD3 LYS 30 8.488 -6.057 -7.874
210 HD3 LYS 30 HD2 LYS 30 9.180 -6.679 -9.374
211 HE2 LYS 30 HE3 LYS 30 10.535 -8.305 -8.130
212 HE3 LYS 30 HE2 LYS 30 9.963 -7.642 -6.589
213 HZ1 LYS 30 HZ1 LYS 30 8.773 -9.603 -7.207
214 HZ2 LYS 30 HZ2 LYS 30 8.289 -8.922 -8.630
215 HZ3 LYS 30 HZ3 LYS 30 7.755 -8.306 -7.196
216 H VAL 31 H VAL 31 13.513 -5.156 -11.344
217 HA VAL 31 HA VAL 31 14.079 -2.505 -11.826
218 HB VAL 31 HB VAL 31 13.315 -4.426 -14.043
219 HG11 VAL 31 HG11 VAL 31 13.925 -2.033 -14.591
220 HG12 VAL 31 HG12 VAL 31 15.033 -3.224 -15.289
221 HG13 VAL 31 HG13 VAL 31 15.506 -2.307 -13.844
222 HG21 VAL 31 HG21 VAL 31 14.777 -5.751 -12.629
223 HG22 VAL 31 HG22 VAL 31 15.706 -5.192 -14.017
224 HG23 VAL 31 HG23 VAL 31 15.914 -4.393 -12.444
225 H LEU 32 H LEU 32 12.870 -0.796 -11.866
226 HA LEU 32 HA LEU 32 10.077 -0.611 -12.287
227 HB2 LEU 32 HB3 LEU 32 11.326 1.062 -11.042
228 HB3 LEU 32 HB2 LEU 32 12.366 1.383 -12.418
229 HG LEU 32 HG LEU 32 10.419 2.364 -13.640
230 HD11 LEU 32 HD11 LEU 32 8.559 1.140 -12.538
231 HD12 LEU 32 HD12 LEU 32 8.341 2.888 -12.402
232 HD13 LEU 32 HD13 LEU 32 8.925 1.962 -11.004
233 HD21 LEU 32 HD21 LEU 32 11.949 3.781 -12.329
234 HD22 LEU 32 HD22 LEU 32 10.297 4.420 -12.290
235 HD23 LEU 32 HD23 LEU 32 10.944 3.551 -10.881
236 H LEU 33 H LEU 33 12.834 -0.039 -14.352
237 HA LEU 33 HA LEU 33 11.393 0.828 -16.695
238 HB2 LEU 33 HB3 LEU 33 14.260 -0.129 -16.309
239 HB3 LEU 33 HB2 LEU 33 13.635 0.587 -17.792
240 HG LEU 33 HG LEU 33 13.817 2.020 -15.095
241 HD11 LEU 33 HD11 LEU 33 16.014 1.577 -16.114
242 HD12 LEU 33 HD12 LEU 33 15.620 3.303 -16.149
243 HD13 LEU 33 HD13 LEU 33 15.473 2.331 -17.631
244 HD21 LEU 33 HD21 LEU 33 11.948 2.943 -16.381
245 HD22 LEU 33 HD22 LEU 33 12.967 3.058 -17.835
246 HD23 LEU 33 HD23 LEU 33 13.305 4.070 -16.414
247 HN1 NH2 34 HN1 AMD 34 10.748 -0.287 -18.498
248 HN2 NH2 34 HN2 AMD 34 10.848 -2.027 -18.659
Start of MODEL 13
1 H1 GLU 1 H1 AMN 0 23.722 5.489 0.270
2 H2 GLU 1 H2 AMN 0 24.614 4.203 0.791
3 H3 GLU 1 H3 AMN 0 25.367 5.522 0.148
4 HA GLU 1 HA GLU 1 24.391 5.158 -1.950
5 HB2 GLU 1 HB3 GLU 1 25.673 3.307 -2.683
6 HB3 GLU 1 HB2 GLU 1 26.597 4.193 -1.482
7 HG2 GLU 1 HG3 GLU 1 25.140 1.545 -1.030
8 HG3 GLU 1 HG2 GLU 1 26.865 1.749 -1.288
9 H CYS 2 H CYS 2 22.962 4.248 -3.276
10 HA CYS 2 HA CYS 2 20.603 3.146 -2.164
11 HB2 CYS 2 HB3 CYS 2 19.791 3.187 -4.440
12 HB3 CYS 2 HB2 CYS 2 20.685 4.654 -4.084
13 H LYS 3 H LYS 3 19.538 1.185 -2.666
14 HA LYS 3 HA LYS 3 21.284 -1.166 -2.601
15 HB2 LYS 3 HB3 LYS 3 18.306 -0.663 -2.219
16 HB3 LYS 3 HB2 LYS 3 18.980 -2.279 -2.282
17 HG2 LYS 3 HG3 LYS 3 19.712 -0.149 -0.236
18 HG3 LYS 3 HG2 LYS 3 18.656 -1.543 0.020
19 HD2 LYS 3 HD3 LYS 3 20.646 -3.035 -0.539
20 HD3 LYS 3 HD2 LYS 3 21.660 -1.578 -0.495
21 HE2 LYS 3 HE3 LYS 3 20.947 -1.141 1.825
22 HE3 LYS 3 HE2 LYS 3 19.915 -2.585 1.785
23 HZ1 LYS 3 HZ1 LYS 3 21.874 -3.898 1.426
24 HZ2 LYS 3 HZ2 LYS 3 22.008 -3.028 2.821
25 HZ3 LYS 3 HZ3 LYS 3 22.833 -2.558 1.472
26 H GLY 4 H GLY 4 21.674 -2.501 -4.239
27 HA2 GLY 4 HA2 GLY 4 20.734 -1.917 -6.911
28 HA3 GLY 4 HA3 GLY 4 21.844 -3.195 -6.402
29 H PHE 5 H PHE 5 20.306 -4.071 -8.265
30 HA PHE 5 HA PHE 5 17.690 -4.792 -7.831
31 HB2 PHE 5 HB3 PHE 5 19.012 -4.551 -9.932
32 HB3 PHE 5 HB2 PHE 5 19.915 -5.998 -9.528
33 HD1 PHE 5 HD1 PHE 5 16.291 -6.138 -8.819
34 HD2 PHE 5 HD2 PHE 5 19.344 -6.695 -11.824
35 HE1 PHE 5 HE1 PHE 5 14.717 -7.469 -10.174
36 HE2 PHE 5 HE2 PHE 5 17.743 -8.008 -13.188
37 HZ PHE 5 HZ PHE 5 15.440 -8.391 -12.356
38 H GLY 6 H GLY 6 16.797 -6.263 -6.521
39 HA2 GLY 6 HA2 GLY 6 16.360 -8.260 -5.542
40 HA3 GLY 6 HA3 GLY 6 17.896 -8.915 -6.118
41 H LYS 7 H LYS 7 17.554 -5.930 -4.191
42 HA LYS 7 HA LYS 7 18.807 -7.243 -1.818
43 HB2 LYS 7 HB3 LYS 7 18.835 -4.389 -2.824
44 HB3 LYS 7 HB2 LYS 7 19.453 -4.870 -1.258
45 HG2 LYS 7 HG3 LYS 7 20.526 -5.873 -3.937
46 HG3 LYS 7 HG2 LYS 7 21.218 -4.550 -3.007
47 HD2 LYS 7 HD3 LYS 7 21.040 -7.447 -2.068
48 HD3 LYS 7 HD2 LYS 7 22.476 -6.639 -2.709
49 HE2 LYS 7 HE3 LYS 7 22.383 -4.995 -0.842
50 HE3 LYS 7 HE2 LYS 7 20.985 -5.856 -0.170
51 HZ1 LYS 7 HZ1 LYS 7 23.017 -6.514 0.870
52 HZ2 LYS 7 HZ2 LYS 7 23.660 -6.990 -0.573
53 HZ3 LYS 7 HZ3 LYS 7 22.360 -7.789 0.053
54 H SER 8 H SER 8 17.663 -7.317 -0.011
55 HA SER 8 HA SER 8 14.923 -6.682 0.141
56 HB2 SER 8 HB3 SER 8 16.967 -7.275 2.317
57 HB3 SER 8 HB2 SER 8 15.211 -7.208 2.566
58 HG SER 8 HG SER 8 15.971 -9.330 2.175
59 H CYS 9 H CYS 9 13.963 -4.791 0.340
60 HA CYS 9 HA CYS 9 15.549 -2.402 0.897
61 HB2 CYS 9 HB3 CYS 9 13.767 -1.217 -0.119
62 HB3 CYS 9 HB2 CYS 9 14.016 -2.655 -1.075
63 H VAL 10 H VAL 10 14.509 -0.612 1.963
64 HA VAL 10 HA VAL 10 13.065 -1.078 4.478
65 HB VAL 10 HB VAL 10 13.998 1.390 2.955
66 HG11 VAL 10 HG11 VAL 10 12.372 1.312 5.527
67 HG12 VAL 10 HG12 VAL 10 11.879 2.024 3.975
68 HG13 VAL 10 HG13 VAL 10 13.206 2.746 4.880
69 HG21 VAL 10 HG21 VAL 10 15.434 1.749 4.918
70 HG22 VAL 10 HG22 VAL 10 15.740 0.142 4.245
71 HG23 VAL 10 HG23 VAL 10 14.752 0.309 5.710
72 HA PRO 11 HA PRO 11 9.230 -0.802 1.997
73 HB2 PRO 11 HB3 PRO 11 7.387 -0.726 4.024
74 HB3 PRO 11 HB2 PRO 11 8.227 -2.217 3.500
75 HG2 PRO 11 HG3 PRO 11 8.912 -0.415 5.837
76 HG3 PRO 11 HG2 PRO 11 8.821 -2.204 5.802
77 HD2 PRO 11 HD3 PRO 11 11.178 -0.825 5.573
78 HD3 PRO 11 HD2 PRO 11 10.905 -2.379 4.730
79 H GLY 12 H GLY 12 9.430 1.080 1.034
80 HA2 GLY 12 HA2 GLY 12 8.236 3.520 1.613
81 HA3 GLY 12 HA3 GLY 12 9.910 3.575 2.222
82 H LYS 13 H LYS 13 10.845 1.571 0.266
83 HA LYS 13 HA LYS 13 11.691 1.224 -1.683
84 HB2 LYS 13 HB3 LYS 13 9.912 3.244 -3.081
85 HB3 LYS 13 HB2 LYS 13 10.659 1.784 -3.727
86 HG2 LYS 13 HG3 LYS 13 9.091 0.457 -2.169
87 HG3 LYS 13 HG2 LYS 13 8.263 1.985 -1.852
88 HD2 LYS 13 HD3 LYS 13 7.855 2.247 -4.308
89 HD3 LYS 13 HD2 LYS 13 8.604 0.652 -4.559
90 HE2 LYS 13 HE3 LYS 13 6.899 -0.357 -3.043
91 HE3 LYS 13 HE2 LYS 13 6.128 1.233 -2.882
92 HZ1 LYS 13 HZ1 LYS 13 6.468 -0.263 -5.385
93 HZ2 LYS 13 HZ2 LYS 13 5.746 1.213 -5.238
94 HZ3 LYS 13 HZ3 LYS 13 5.064 -0.114 -4.532
95 H ASN 14 H ASN 14 12.163 3.691 0.113
96 HA ASN 14 HA ASN 14 13.340 5.701 -1.428
97 HB2 ASN 14 HB3 ASN 14 14.280 6.488 0.727
98 HB3 ASN 14 HB2 ASN 14 12.558 6.136 0.804
99 HD21 ASN 14 HD21 ASN 14 15.696 5.378 2.112
100 HD22 ASN 14 HD22 ASN 14 15.174 4.154 3.249
101 H GLU 15 H GLU 15 14.584 2.672 -0.132
102 HA GLU 15 HA GLU 15 17.383 3.232 -0.282
103 HB2 GLU 15 HB3 GLU 15 15.732 0.678 -0.162
104 HB3 GLU 15 HB2 GLU 15 17.490 0.658 -0.253
105 HG2 GLU 15 HG3 GLU 15 15.920 2.083 1.925
106 HG3 GLU 15 HG2 GLU 15 16.619 0.467 2.066
107 H CYS 16 H CYS 16 15.214 1.440 -2.569
108 HA CYS 16 HA CYS 16 17.230 0.440 -4.151
109 HB2 CYS 16 HB3 CYS 16 14.393 1.123 -4.970
110 HB3 CYS 16 HB2 CYS 16 15.474 -0.014 -5.780
111 H CYS 17 H CYS 17 18.271 0.977 -6.016
112 HA CYS 17 HA CYS 17 18.899 3.688 -6.487
113 HB2 CYS 17 HB3 CYS 17 19.437 1.240 -8.208
114 HB3 CYS 17 HB2 CYS 17 20.238 2.789 -8.366
115 H SER 18 H SER 18 19.079 4.540 -8.794
116 HA SER 18 HA SER 18 16.466 5.070 -9.891
117 HB2 SER 18 HB3 SER 18 19.280 5.739 -10.852
118 HB3 SER 18 HB2 SER 18 17.782 6.353 -11.580
119 HG SER 18 HG SER 18 18.677 7.792 -10.045
120 H GLY 19 H GLY 19 15.430 3.502 -10.911
121 HA2 GLY 19 HA2 GLY 19 15.293 2.442 -13.210
122 HA3 GLY 19 HA3 GLY 19 16.817 1.649 -12.787
123 H LEU 20 H LEU 20 15.555 1.760 -9.870
124 HA LEU 20 HA LEU 20 14.096 -0.826 -10.029
125 HB2 LEU 20 HB3 LEU 20 15.960 0.287 -7.906
126 HB3 LEU 20 HB2 LEU 20 15.133 -1.264 -7.811
127 HG LEU 20 HG LEU 20 17.154 -0.586 -9.986
128 HD11 LEU 20 HD11 LEU 20 18.814 -1.772 -8.679
129 HD12 LEU 20 HD12 LEU 20 17.627 -2.088 -7.387
130 HD13 LEU 20 HD13 LEU 20 18.160 -0.435 -7.719
131 HD21 LEU 20 HD21 LEU 20 17.285 -3.029 -10.267
132 HD22 LEU 20 HD22 LEU 20 15.634 -2.462 -10.513
133 HD23 LEU 20 HD23 LEU 20 16.067 -3.263 -8.990
134 H THR 21 H THR 21 12.656 -1.234 -8.326
135 HA THR 21 HA THR 21 11.778 0.844 -6.513
136 HB THR 21 HB THR 21 10.511 1.281 -8.675
137 HG1 THR 21 HG1 THR 21 9.803 1.920 -6.621
138 HG21 THR 21 HG21 THR 21 10.067 -1.146 -9.290
139 HG22 THR 21 HG22 THR 21 8.639 -0.093 -9.301
140 HG23 THR 21 HG23 THR 21 8.902 -1.208 -7.950
141 H CYS 22 H CYS 22 11.050 -0.124 -4.610
142 HA CYS 22 HA CYS 22 11.537 -2.945 -4.449
143 HB2 CYS 22 HB3 CYS 22 12.043 -1.272 -2.634
144 HB3 CYS 22 HB2 CYS 22 10.313 -1.262 -2.266
145 H SER 23 H SER 23 10.201 -4.594 -4.638
146 HA SER 23 HA SER 23 7.468 -4.519 -5.297
147 HB2 SER 23 HB3 SER 23 9.056 -6.382 -5.688
148 HB3 SER 23 HB2 SER 23 9.115 -6.704 -3.954
149 HG SER 23 HG SER 23 7.610 -8.036 -5.062
150 H ASN 24 H ASN 24 5.654 -4.358 -4.099
151 HA ASN 24 HA ASN 24 5.673 -3.741 -1.298
152 HB2 ASN 24 HB3 ASN 24 3.399 -4.522 -3.170
153 HB3 ASN 24 HB2 ASN 24 3.207 -3.838 -1.554
154 HD21 ASN 24 HD21 ASN 24 4.297 -1.654 -1.160
155 HD22 ASN 24 HD22 ASN 24 4.280 -0.504 -2.479
156 H LYS 25 H LYS 25 5.356 -6.748 -3.134
157 HA LYS 25 HA LYS 25 4.273 -8.238 -0.829
158 HB2 LYS 25 HB3 LYS 25 4.777 -9.071 -3.715
159 HB3 LYS 25 HB2 LYS 25 4.048 -10.077 -2.466
160 HG2 LYS 25 HG3 LYS 25 2.873 -7.532 -3.665
161 HG3 LYS 25 HG2 LYS 25 2.340 -9.187 -3.930
162 HD2 LYS 25 HD3 LYS 25 1.729 -9.372 -1.516
163 HD3 LYS 25 HD2 LYS 25 2.172 -7.672 -1.280
164 HE2 LYS 25 HE3 LYS 25 0.055 -8.652 -3.234
165 HE3 LYS 25 HE2 LYS 25 -0.276 -8.043 -1.603
166 HZ1 LYS 25 HZ1 LYS 25 0.685 -5.961 -2.237
167 HZ2 LYS 25 HZ2 LYS 25 -0.563 -6.352 -3.242
168 HZ3 LYS 25 HZ3 LYS 25 0.996 -6.516 -3.758
169 H HIS 26 H HIS 26 6.931 -8.768 -3.222
170 HA HIS 26 HA HIS 26 8.239 -10.755 -1.710
171 HB2 HIS 26 HB3 HIS 26 8.368 -10.242 -4.208
172 HB3 HIS 26 HB2 HIS 26 9.510 -8.963 -3.810
173 HD1 HIS 26 HD1 HIS 26 11.737 -10.090 -2.237
174 HD2 HIS 26 HD2 HIS 26 9.452 -12.492 -4.815
175 HE1 HIS 26 HE1 HIS 26 13.132 -12.169 -2.729
176 H LYS 27 H LYS 27 8.563 -7.234 -1.698
177 HA LYS 27 HA LYS 27 9.853 -5.752 -0.696
178 HB2 LYS 27 HB3 LYS 27 8.759 -6.838 1.290
179 HB3 LYS 27 HB2 LYS 27 10.267 -7.725 1.554
180 HG2 LYS 27 HG3 LYS 27 11.475 -5.516 1.744
181 HG3 LYS 27 HG2 LYS 27 9.945 -4.684 1.448
182 HD2 LYS 27 HD3 LYS 27 10.426 -4.656 3.817
183 HD3 LYS 27 HD2 LYS 27 9.006 -5.675 3.526
184 HE2 LYS 27 HE3 LYS 27 10.443 -7.699 3.670
185 HE3 LYS 27 HE2 LYS 27 11.861 -6.669 3.948
186 HZ1 LYS 27 HZ1 LYS 27 9.497 -6.844 5.679
187 HZ2 LYS 27 HZ2 LYS 27 10.815 -5.889 5.946
188 HZ3 LYS 27 HZ3 LYS 27 10.966 -7.531 5.977
189 H TRP 28 H TRP 28 11.101 -6.529 -2.696
190 HA TRP 28 HA TRP 28 13.761 -5.943 -1.818
191 HB2 TRP 28 HB3 TRP 28 15.011 -7.506 -3.033
192 HB3 TRP 28 HB2 TRP 28 13.917 -8.403 -2.020
193 HD1 TRP 28 HD1 TRP 28 11.808 -7.691 -4.895
194 HE1 TRP 28 HE1 TRP 28 11.869 -9.517 -6.630
195 HE3 TRP 28 HE3 TRP 28 15.966 -10.161 -3.255
196 HZ2 TRP 28 HZ2 TRP 28 13.520 -11.829 -7.259
197 HZ3 TRP 28 HZ3 TRP 28 16.755 -12.190 -4.439
198 HH2 TRP 28 HH2 TRP 28 15.542 -13.031 -6.437
199 H CYS 29 H CYS 29 15.091 -5.035 -3.581
200 HA CYS 29 HA CYS 29 13.618 -3.248 -5.262
201 HB2 CYS 29 HB3 CYS 29 16.525 -4.089 -5.354
202 HB3 CYS 29 HB2 CYS 29 15.829 -2.676 -6.146
203 H LYS 30 H LYS 30 13.005 -3.408 -7.374
204 HA LYS 30 HA LYS 30 14.145 -5.424 -9.121
205 HB2 LYS 30 HB3 LYS 30 11.979 -6.390 -9.788
206 HB3 LYS 30 HB2 LYS 30 12.490 -6.809 -8.159
207 HG2 LYS 30 HG3 LYS 30 10.877 -5.243 -7.192
208 HG3 LYS 30 HG2 LYS 30 10.451 -4.628 -8.795
209 HD2 LYS 30 HD3 LYS 30 8.752 -6.187 -7.962
210 HD3 LYS 30 HD2 LYS 30 9.515 -6.798 -9.433
211 HE2 LYS 30 HE3 LYS 30 10.900 -8.344 -8.150
212 HE3 LYS 30 HE2 LYS 30 10.321 -7.657 -6.623
213 HZ1 LYS 30 HZ1 LYS 30 8.669 -9.062 -8.598
214 HZ2 LYS 30 HZ2 LYS 30 8.134 -8.423 -7.174
215 HZ3 LYS 30 HZ3 LYS 30 9.202 -9.681 -7.164
216 H VAL 31 H VAL 31 13.845 -5.097 -11.264
217 HA VAL 31 HA VAL 31 14.041 -2.394 -11.965
218 HB VAL 31 HB VAL 31 13.821 -4.872 -13.713
219 HG11 VAL 31 HG11 VAL 31 14.809 -2.065 -14.399
220 HG12 VAL 31 HG12 VAL 31 13.368 -2.859 -15.074
221 HG13 VAL 31 HG13 VAL 31 14.974 -3.493 -15.442
222 HG21 VAL 31 HG21 VAL 31 15.763 -4.894 -12.133
223 HG22 VAL 31 HG22 VAL 31 16.277 -4.744 -13.815
224 HG23 VAL 31 HG23 VAL 31 16.274 -3.316 -12.761
225 H LEU 32 H LEU 32 12.471 -0.984 -12.000
226 HA LEU 32 HA LEU 32 9.821 -1.514 -13.090
227 HB2 LEU 32 HB3 LEU 32 10.190 0.094 -11.231
228 HB3 LEU 32 HB2 LEU 32 11.199 1.075 -12.275
229 HG LEU 32 HG LEU 32 9.198 1.457 -13.765
230 HD11 LEU 32 HD11 LEU 32 7.678 -0.037 -11.582
231 HD12 LEU 32 HD12 LEU 32 7.844 -0.528 -13.283
232 HD13 LEU 32 HD13 LEU 32 6.935 0.928 -12.874
233 HD21 LEU 32 HD21 LEU 32 9.820 3.069 -12.002
234 HD22 LEU 32 HD22 LEU 32 8.065 3.012 -12.225
235 HD23 LEU 32 HD23 LEU 32 8.807 2.195 -10.831
236 H LEU 33 H LEU 33 12.620 0.452 -13.890
237 HA LEU 33 HA LEU 33 11.990 0.379 -16.810
238 HB2 LEU 33 HB3 LEU 33 13.247 2.628 -15.188
239 HB3 LEU 33 HB2 LEU 33 13.046 2.615 -16.939
240 HG LEU 33 HG LEU 33 10.790 2.623 -14.889
241 HD11 LEU 33 HD11 LEU 33 10.400 4.926 -15.650
242 HD12 LEU 33 HD12 LEU 33 11.797 4.817 -16.743
243 HD13 LEU 33 HD13 LEU 33 12.030 4.744 -14.982
244 HD21 LEU 33 HD21 LEU 33 9.301 3.076 -16.837
245 HD22 LEU 33 HD22 LEU 33 10.036 1.475 -16.938
246 HD23 LEU 33 HD23 LEU 33 10.669 2.802 -17.937
247 HN1 NH2 34 HN1 AMD 34 13.430 -0.875 -17.838
248 HN2 NH2 34 HN2 AMD 34 15.126 -1.017 -17.434
Start of MODEL 14
1 H1 GLU 1 H1 AMN 0 25.416 5.095 -1.207
2 H2 GLU 1 H2 AMN 0 24.878 4.020 -2.339
3 H3 GLU 1 H3 AMN 0 23.971 5.347 -1.963
4 HA GLU 1 HA GLU 1 24.621 3.138 -0.174
5 HB2 GLU 1 HB3 GLU 1 23.154 4.160 1.458
6 HB3 GLU 1 HB2 GLU 1 24.435 5.284 1.005
7 HG2 GLU 1 HG3 GLU 1 22.864 6.515 -0.467
8 HG3 GLU 1 HG2 GLU 1 21.578 5.363 -0.085
9 H CYS 2 H CYS 2 22.855 3.912 -2.896
10 HA CYS 2 HA CYS 2 20.276 2.972 -2.242
11 HB2 CYS 2 HB3 CYS 2 19.806 3.111 -4.571
12 HB3 CYS 2 HB2 CYS 2 20.828 4.460 -4.125
13 H LYS 3 H LYS 3 19.208 1.065 -2.609
14 HA LYS 3 HA LYS 3 20.811 -1.369 -2.416
15 HB2 LYS 3 HB3 LYS 3 17.857 -0.697 -2.261
16 HB3 LYS 3 HB2 LYS 3 18.405 -2.371 -2.350
17 HG2 LYS 3 HG3 LYS 3 19.458 -0.457 -0.233
18 HG3 LYS 3 HG2 LYS 3 17.977 -1.399 -0.020
19 HD2 LYS 3 HD3 LYS 3 19.197 -3.497 -0.304
20 HD3 LYS 3 HD2 LYS 3 20.716 -2.618 -0.587
21 HE2 LYS 3 HE3 LYS 3 20.595 -1.637 1.662
22 HE3 LYS 3 HE2 LYS 3 19.040 -2.442 1.948
23 HZ1 LYS 3 HZ1 LYS 3 20.146 -4.539 1.719
24 HZ2 LYS 3 HZ2 LYS 3 20.848 -3.645 2.915
25 HZ3 LYS 3 HZ3 LYS 3 21.595 -3.796 1.452
26 H GLY 4 H GLY 4 21.476 -2.511 -4.090
27 HA2 GLY 4 HA2 GLY 4 20.707 -2.023 -6.812
28 HA3 GLY 4 HA3 GLY 4 21.747 -3.317 -6.194
29 H PHE 5 H PHE 5 20.206 -4.058 -8.216
30 HA PHE 5 HA PHE 5 17.566 -4.772 -7.831
31 HB2 PHE 5 HB3 PHE 5 18.661 -4.526 -9.975
32 HB3 PHE 5 HB2 PHE 5 19.843 -5.766 -9.581
33 HD1 PHE 5 HD1 PHE 5 16.074 -5.599 -9.385
34 HD2 PHE 5 HD2 PHE 5 19.563 -7.651 -10.895
35 HE1 PHE 5 HE1 PHE 5 14.628 -7.397 -10.310
36 HE2 PHE 5 HE2 PHE 5 18.109 -9.422 -11.838
37 HZ PHE 5 HZ PHE 5 15.653 -9.289 -11.532
38 H GLY 6 H GLY 6 16.638 -6.277 -6.627
39 HA2 GLY 6 HA2 GLY 6 16.181 -8.222 -5.585
40 HA3 GLY 6 HA3 GLY 6 17.637 -8.947 -6.278
41 H LYS 7 H LYS 7 17.500 -6.001 -4.224
42 HA LYS 7 HA LYS 7 18.701 -7.509 -1.953
43 HB2 LYS 7 HB3 LYS 7 19.387 -4.685 -2.846
44 HB3 LYS 7 HB2 LYS 7 19.972 -5.506 -1.398
45 HG2 LYS 7 HG3 LYS 7 20.998 -7.286 -2.843
46 HG3 LYS 7 HG2 LYS 7 20.536 -6.341 -4.276
47 HD2 LYS 7 HD3 LYS 7 21.865 -4.426 -3.428
48 HD3 LYS 7 HD2 LYS 7 22.342 -5.386 -2.011
49 HE2 LYS 7 HE3 LYS 7 23.446 -7.034 -3.453
50 HE3 LYS 7 HE2 LYS 7 22.905 -6.175 -4.906
51 HZ1 LYS 7 HZ1 LYS 7 24.208 -4.301 -4.207
52 HZ2 LYS 7 HZ2 LYS 7 25.155 -5.644 -4.351
53 HZ3 LYS 7 HZ3 LYS 7 24.713 -5.102 -2.857
54 H SER 8 H SER 8 18.048 -7.005 0.046
55 HA SER 8 HA SER 8 15.300 -6.435 0.305
56 HB2 SER 8 HB3 SER 8 17.498 -6.716 2.395
57 HB3 SER 8 HB2 SER 8 15.759 -6.680 2.749
58 HG SER 8 HG SER 8 17.077 -8.552 1.074
59 H CYS 9 H CYS 9 14.322 -4.556 0.261
60 HA CYS 9 HA CYS 9 15.776 -2.053 0.593
61 HB2 CYS 9 HB3 CYS 9 13.852 -1.053 -0.380
62 HB3 CYS 9 HB2 CYS 9 14.147 -2.533 -1.254
63 H VAL 10 H VAL 10 14.658 -0.252 1.635
64 HA VAL 10 HA VAL 10 13.389 -0.643 4.247
65 HB VAL 10 HB VAL 10 13.896 1.730 2.410
66 HG11 VAL 10 HG11 VAL 10 11.746 2.220 3.432
67 HG12 VAL 10 HG12 VAL 10 12.979 3.177 4.249
68 HG13 VAL 10 HG13 VAL 10 12.340 1.714 5.031
69 HG21 VAL 10 HG21 VAL 10 15.322 2.518 4.235
70 HG22 VAL 10 HG22 VAL 10 15.820 0.887 3.757
71 HG23 VAL 10 HG23 VAL 10 14.863 1.118 5.236
72 HA PRO 11 HA PRO 11 9.570 -1.387 1.863
73 HB2 PRO 11 HB3 PRO 11 7.799 -1.768 3.894
74 HB3 PRO 11 HB2 PRO 11 9.053 -2.958 3.439
75 HG2 PRO 11 HG3 PRO 11 9.174 -0.900 5.667
76 HG3 PRO 11 HG2 PRO 11 9.573 -2.646 5.748
77 HD2 PRO 11 HD3 PRO 11 11.474 -0.703 5.396
78 HD3 PRO 11 HD2 PRO 11 11.625 -2.322 4.651
79 H GLY 12 H GLY 12 9.783 0.664 1.043
80 HA2 GLY 12 HA2 GLY 12 7.627 2.412 1.115
81 HA3 GLY 12 HA3 GLY 12 8.840 3.090 2.214
82 H LYS 13 H LYS 13 10.232 1.240 -0.387
83 HA LYS 13 HA LYS 13 11.500 1.685 -2.107
84 HB2 LYS 13 HB3 LYS 13 9.394 3.787 -2.752
85 HB3 LYS 13 HB2 LYS 13 10.540 3.084 -3.896
86 HG2 LYS 13 HG3 LYS 13 9.525 0.884 -3.672
87 HG3 LYS 13 HG2 LYS 13 8.424 1.465 -2.411
88 HD2 LYS 13 HD3 LYS 13 7.365 3.023 -3.994
89 HD3 LYS 13 HD2 LYS 13 8.501 2.538 -5.259
90 HE2 LYS 13 HE3 LYS 13 6.391 1.406 -5.617
91 HE3 LYS 13 HE2 LYS 13 7.617 0.215 -5.153
92 HZ1 LYS 13 HZ1 LYS 13 6.726 0.268 -2.935
93 HZ2 LYS 13 HZ2 LYS 13 5.553 -0.138 -4.022
94 HZ3 LYS 13 HZ3 LYS 13 5.589 1.379 -3.374
95 H ASN 14 H ASN 14 12.227 3.054 0.326
96 HA ASN 14 HA ASN 14 13.060 5.729 -0.339
97 HB2 ASN 14 HB3 ASN 14 12.328 5.008 1.934
98 HB3 ASN 14 HB2 ASN 14 13.771 4.002 2.066
99 HD21 ASN 14 HD21 ASN 14 12.767 7.413 1.425
100 HD22 ASN 14 HD22 ASN 14 14.121 8.142 2.259
101 H GLU 15 H GLU 15 14.503 2.602 -0.822
102 HA GLU 15 HA GLU 15 17.256 3.721 -0.760
103 HB2 GLU 15 HB3 GLU 15 16.208 0.893 -0.408
104 HB3 GLU 15 HB2 GLU 15 17.915 1.311 -0.576
105 HG2 GLU 15 HG3 GLU 15 16.091 2.338 1.629
106 HG3 GLU 15 HG2 GLU 15 17.258 1.022 1.784
107 H CYS 16 H CYS 16 15.140 1.592 -2.773
108 HA CYS 16 HA CYS 16 17.105 0.512 -4.289
109 HB2 CYS 16 HB3 CYS 16 14.285 1.153 -5.182
110 HB3 CYS 16 HB2 CYS 16 15.374 0.015 -5.974
111 H CYS 17 H CYS 17 18.305 0.908 -6.035
112 HA CYS 17 HA CYS 17 19.035 3.528 -6.680
113 HB2 CYS 17 HB3 CYS 17 19.577 0.980 -8.241
114 HB3 CYS 17 HB2 CYS 17 20.480 2.476 -8.372
115 H SER 18 H SER 18 19.386 4.258 -9.013
116 HA SER 18 HA SER 18 16.908 4.954 -10.188
117 HB2 SER 18 HB3 SER 18 18.943 6.334 -10.266
118 HB3 SER 18 HB2 SER 18 19.739 5.123 -11.294
119 HG SER 18 HG SER 18 17.363 6.554 -11.911
120 H GLY 19 H GLY 19 15.620 3.581 -11.167
121 HA2 GLY 19 HA2 GLY 19 15.019 2.510 -13.224
122 HA3 GLY 19 HA3 GLY 19 16.607 1.737 -13.290
123 H LEU 20 H LEU 20 15.168 1.897 -10.151
124 HA LEU 20 HA LEU 20 14.042 -0.849 -10.271
125 HB2 LEU 20 HB3 LEU 20 15.790 0.292 -8.072
126 HB3 LEU 20 HB2 LEU 20 15.088 -1.320 -8.108
127 HG LEU 20 HG LEU 20 17.218 -0.301 -10.030
128 HD11 LEU 20 HD11 LEU 20 18.784 -1.648 -8.748
129 HD12 LEU 20 HD12 LEU 20 17.484 -2.181 -7.653
130 HD13 LEU 20 HD13 LEU 20 17.988 -0.485 -7.676
131 HD21 LEU 20 HD21 LEU 20 15.891 -2.126 -11.025
132 HD22 LEU 20 HD22 LEU 20 16.137 -3.125 -9.578
133 HD23 LEU 20 HD23 LEU 20 17.508 -2.683 -10.628
134 H THR 21 H THR 21 12.828 -1.284 -8.204
135 HA THR 21 HA THR 21 11.669 0.854 -6.696
136 HB THR 21 HB THR 21 10.407 1.213 -8.777
137 HG1 THR 21 HG1 THR 21 8.365 1.038 -7.813
138 HG21 THR 21 HG21 THR 21 8.800 -0.357 -9.673
139 HG22 THR 21 HG22 THR 21 9.222 -1.583 -8.470
140 HG23 THR 21 HG23 THR 21 10.393 -1.117 -9.724
141 H CYS 22 H CYS 22 11.048 -0.022 -4.731
142 HA CYS 22 HA CYS 22 11.471 -2.851 -4.423
143 HB2 CYS 22 HB3 CYS 22 12.072 -1.101 -2.691
144 HB3 CYS 22 HB2 CYS 22 10.351 -1.062 -2.263
145 H SER 23 H SER 23 10.079 -4.426 -4.634
146 HA SER 23 HA SER 23 7.286 -4.247 -5.068
147 HB2 SER 23 HB3 SER 23 8.829 -6.131 -5.672
148 HB3 SER 23 HB2 SER 23 8.961 -6.540 -3.959
149 HG SER 23 HG SER 23 6.571 -6.478 -5.497
150 H ASN 24 H ASN 24 5.563 -4.255 -3.657
151 HA ASN 24 HA ASN 24 5.892 -3.931 -0.807
152 HB2 ASN 24 HB3 ASN 24 4.005 -2.958 -2.065
153 HB3 ASN 24 HB2 ASN 24 3.445 -4.573 -2.511
154 HD21 ASN 24 HD21 ASN 24 4.238 -2.541 0.375
155 HD22 ASN 24 HD22 ASN 24 3.002 -3.219 1.410
156 H LYS 25 H LYS 25 5.022 -6.630 -2.997
157 HA LYS 25 HA LYS 25 4.326 -8.537 -1.030
158 HB2 LYS 25 HB3 LYS 25 3.661 -8.549 -3.421
159 HB3 LYS 25 HB2 LYS 25 5.322 -8.915 -3.888
160 HG2 LYS 25 HG3 LYS 25 5.176 -11.073 -2.600
161 HG3 LYS 25 HG2 LYS 25 3.508 -10.663 -2.159
162 HD2 LYS 25 HD3 LYS 25 2.869 -10.651 -4.562
163 HD3 LYS 25 HD2 LYS 25 4.550 -10.967 -5.016
164 HE2 LYS 25 HE3 LYS 25 3.349 -13.043 -5.143
165 HE3 LYS 25 HE2 LYS 25 4.455 -13.130 -3.758
166 HZ1 LYS 25 HZ1 LYS 25 2.598 -12.624 -2.340
167 HZ2 LYS 25 HZ2 LYS 25 2.288 -13.977 -3.235
168 HZ3 LYS 25 HZ3 LYS 25 1.579 -12.542 -3.636
169 H HIS 26 H HIS 26 7.330 -8.393 -3.060
170 HA HIS 26 HA HIS 26 8.589 -10.487 -1.535
171 HB2 HIS 26 HB3 HIS 26 9.636 -8.679 -3.743
172 HB3 HIS 26 HB2 HIS 26 10.467 -10.095 -3.103
173 HD1 HIS 26 HD1 HIS 26 7.431 -9.193 -5.272
174 HD2 HIS 26 HD2 HIS 26 9.592 -12.513 -3.876
175 HE1 HIS 26 HE1 HIS 26 6.606 -11.213 -6.596
176 H LYS 27 H LYS 27 8.691 -6.975 -1.416
177 HA LYS 27 HA LYS 27 9.962 -5.441 -0.421
178 HB2 LYS 27 HB3 LYS 27 10.269 -7.530 1.752
179 HB3 LYS 27 HB2 LYS 27 10.695 -5.816 1.891
180 HG2 LYS 27 HG3 LYS 27 8.334 -5.197 1.347
181 HG3 LYS 27 HG2 LYS 27 7.913 -6.923 1.339
182 HD2 LYS 27 HD3 LYS 27 8.580 -7.125 3.706
183 HD3 LYS 27 HD2 LYS 27 9.114 -5.437 3.716
184 HE2 LYS 27 HE3 LYS 27 6.946 -5.531 4.751
185 HE3 LYS 27 HE2 LYS 27 6.781 -4.716 3.186
186 HZ1 LYS 27 HZ1 LYS 27 5.044 -6.300 3.558
187 HZ2 LYS 27 HZ2 LYS 27 6.131 -7.527 3.742
188 HZ3 LYS 27 HZ3 LYS 27 5.973 -6.777 2.281
189 H TRP 28 H TRP 28 11.171 -6.501 -2.487
190 HA TRP 28 HA TRP 28 13.894 -5.794 -1.781
191 HB2 TRP 28 HB3 TRP 28 15.017 -7.471 -2.927
192 HB3 TRP 28 HB2 TRP 28 13.910 -8.284 -1.858
193 HD1 TRP 28 HD1 TRP 28 11.724 -7.616 -4.664
194 HE1 TRP 28 HE1 TRP 28 11.703 -9.451 -6.387
195 HE3 TRP 28 HE3 TRP 28 15.930 -10.105 -3.174
196 HZ2 TRP 28 HZ2 TRP 28 13.333 -11.758 -7.089
197 HZ3 TRP 28 HZ3 TRP 28 16.681 -12.120 -4.404
198 HH2 TRP 28 HH2 TRP 28 15.396 -12.952 -6.360
199 H CYS 29 H CYS 29 15.114 -5.024 -3.692
200 HA CYS 29 HA CYS 29 13.501 -3.309 -5.339
201 HB2 CYS 29 HB3 CYS 29 16.419 -4.063 -5.576
202 HB3 CYS 29 HB2 CYS 29 15.631 -2.690 -6.351
203 H LYS 30 H LYS 30 12.849 -3.509 -7.413
204 HA LYS 30 HA LYS 30 13.867 -5.630 -9.137
205 HB2 LYS 30 HB3 LYS 30 11.608 -6.385 -9.789
206 HB3 LYS 30 HB2 LYS 30 12.097 -6.848 -8.164
207 HG2 LYS 30 HG3 LYS 30 10.641 -5.192 -7.164
208 HG3 LYS 30 HG2 LYS 30 10.302 -4.451 -8.735
209 HD2 LYS 30 HD3 LYS 30 8.426 -5.843 -7.967
210 HD3 LYS 30 HD2 LYS 30 9.108 -6.431 -9.486
211 HE2 LYS 30 HE3 LYS 30 10.335 -8.200 -8.294
212 HE3 LYS 30 HE2 LYS 30 9.742 -7.592 -6.738
213 HZ1 LYS 30 HZ1 LYS 30 8.079 -8.646 -8.915
214 HZ2 LYS 30 HZ2 LYS 30 7.523 -8.081 -7.468
215 HZ3 LYS 30 HZ3 LYS 30 8.461 -9.436 -7.518
216 H VAL 31 H VAL 31 13.455 -5.300 -11.334
217 HA VAL 31 HA VAL 31 14.127 -2.700 -11.995
218 HB VAL 31 HB VAL 31 13.229 -4.921 -13.864
219 HG11 VAL 31 HG11 VAL 31 13.348 -2.746 -15.023
220 HG12 VAL 31 HG12 VAL 31 14.700 -3.771 -15.513
221 HG13 VAL 31 HG13 VAL 31 14.969 -2.458 -14.346
222 HG21 VAL 31 HG21 VAL 31 15.682 -5.392 -14.062
223 HG22 VAL 31 HG22 VAL 31 15.992 -4.229 -12.753
224 HG23 VAL 31 HG23 VAL 31 15.062 -5.713 -12.445
225 H LEU 32 H LEU 32 12.961 -0.959 -11.950
226 HA LEU 32 HA LEU 32 10.174 -0.763 -12.719
227 HB2 LEU 32 HB3 LEU 32 11.119 0.742 -11.038
228 HB3 LEU 32 HB2 LEU 32 12.342 1.299 -12.166
229 HG LEU 32 HG LEU 32 10.531 2.318 -13.571
230 HD11 LEU 32 HD11 LEU 32 8.684 1.472 -11.291
231 HD12 LEU 32 HD12 LEU 32 8.619 0.876 -12.967
232 HD13 LEU 32 HD13 LEU 32 8.256 2.570 -12.618
233 HD21 LEU 32 HD21 LEU 32 10.528 3.164 -10.641
234 HD22 LEU 32 HD22 LEU 32 11.731 3.636 -11.863
235 HD23 LEU 32 HD23 LEU 32 10.049 4.173 -12.024
236 H LEU 33 H LEU 33 13.206 0.495 -13.993
237 HA LEU 33 HA LEU 33 12.018 0.960 -16.667
238 HB2 LEU 33 HB3 LEU 33 14.663 1.885 -15.482
239 HB3 LEU 33 HB2 LEU 33 14.014 2.343 -17.054
240 HG LEU 33 HG LEU 33 12.803 3.047 -14.339
241 HD11 LEU 33 HD11 LEU 33 14.891 4.259 -14.868
242 HD12 LEU 33 HD12 LEU 33 13.487 5.338 -14.885
243 HD13 LEU 33 HD13 LEU 33 14.198 4.785 -16.417
244 HD21 LEU 33 HD21 LEU 33 10.991 2.833 -15.992
245 HD22 LEU 33 HD22 LEU 33 11.892 3.845 -17.143
246 HD23 LEU 33 HD23 LEU 33 11.277 4.535 -15.624
247 HN1 NH2 34 HN1 AMD 34 12.063 -0.893 -17.855
248 HN2 NH2 34 HN2 AMD 34 13.498 -1.856 -18.131
Start of MODEL 15
1 H1 GLU 1 H1 AMN 0 25.112 5.991 -0.086
2 H2 GLU 1 H2 AMN 0 23.696 6.502 -0.763
3 H3 GLU 1 H3 AMN 0 23.671 5.556 0.589
4 HA GLU 1 HA GLU 1 24.652 4.776 -2.045
5 HB2 GLU 1 HB3 GLU 1 24.991 2.556 -1.177
6 HB3 GLU 1 HB2 GLU 1 25.891 3.725 -0.231
7 HG2 GLU 1 HG3 GLU 1 25.013 2.178 1.322
8 HG3 GLU 1 HG2 GLU 1 24.059 3.642 1.525
9 H CYS 2 H CYS 2 23.415 2.818 -2.873
10 HA CYS 2 HA CYS 2 20.561 2.832 -2.168
11 HB2 CYS 2 HB3 CYS 2 19.890 2.981 -4.480
12 HB3 CYS 2 HB2 CYS 2 20.858 4.380 -4.050
13 H LYS 3 H LYS 3 19.463 0.927 -2.631
14 HA LYS 3 HA LYS 3 21.107 -1.496 -2.590
15 HB2 LYS 3 HB3 LYS 3 18.143 -0.909 -2.302
16 HB3 LYS 3 HB2 LYS 3 18.777 -2.547 -2.349
17 HG2 LYS 3 HG3 LYS 3 19.593 -0.456 -0.277
18 HG3 LYS 3 HG2 LYS 3 18.326 -1.656 -0.071
19 HD2 LYS 3 HD3 LYS 3 20.012 -2.755 0.982
20 HD3 LYS 3 HD2 LYS 3 20.268 -3.384 -0.649
21 HE2 LYS 3 HE3 LYS 3 22.038 -1.620 -0.980
22 HE3 LYS 3 HE2 LYS 3 21.741 -1.062 0.674
23 HZ1 LYS 3 HZ1 LYS 3 23.599 -2.537 0.546
24 HZ2 LYS 3 HZ2 LYS 3 22.667 -3.738 -0.092
25 HZ3 LYS 3 HZ3 LYS 3 22.398 -3.217 1.449
26 H GLY 4 H GLY 4 21.616 -2.670 -4.276
27 HA2 GLY 4 HA2 GLY 4 20.703 -2.122 -6.953
28 HA3 GLY 4 HA3 GLY 4 21.787 -3.414 -6.417
29 H PHE 5 H PHE 5 20.215 -4.237 -8.320
30 HA PHE 5 HA PHE 5 17.579 -4.895 -7.875
31 HB2 PHE 5 HB3 PHE 5 18.711 -4.708 -10.033
32 HB3 PHE 5 HB2 PHE 5 19.793 -6.028 -9.625
33 HD1 PHE 5 HD1 PHE 5 16.039 -5.610 -9.397
34 HD2 PHE 5 HD2 PHE 5 19.372 -7.872 -10.957
35 HE1 PHE 5 HE1 PHE 5 14.470 -7.288 -10.335
36 HE2 PHE 5 HE2 PHE 5 17.792 -9.529 -11.908
37 HZ PHE 5 HZ PHE 5 15.354 -9.231 -11.584
38 H GLY 6 H GLY 6 16.625 -6.365 -6.662
39 HA2 GLY 6 HA2 GLY 6 16.126 -8.276 -5.579
40 HA3 GLY 6 HA3 GLY 6 17.550 -9.051 -6.284
41 H LYS 7 H LYS 7 17.488 -6.095 -4.235
42 HA LYS 7 HA LYS 7 18.712 -7.615 -1.985
43 HB2 LYS 7 HB3 LYS 7 19.417 -4.812 -2.924
44 HB3 LYS 7 HB2 LYS 7 20.024 -5.617 -1.475
45 HG2 LYS 7 HG3 LYS 7 21.013 -7.421 -2.903
46 HG3 LYS 7 HG2 LYS 7 20.500 -6.523 -4.348
47 HD2 LYS 7 HD3 LYS 7 21.856 -4.582 -3.615
48 HD3 LYS 7 HD2 LYS 7 22.392 -5.495 -2.189
49 HE2 LYS 7 HE3 LYS 7 23.451 -7.180 -3.610
50 HE3 LYS 7 HE2 LYS 7 22.826 -6.398 -5.072
51 HZ1 LYS 7 HZ1 LYS 7 24.137 -4.479 -4.532
52 HZ2 LYS 7 HZ2 LYS 7 25.093 -5.816 -4.662
53 HZ3 LYS 7 HZ3 LYS 7 24.723 -5.208 -3.174
54 H SER 8 H SER 8 18.193 -7.010 0.052
55 HA SER 8 HA SER 8 15.482 -6.406 0.482
56 HB2 SER 8 HB3 SER 8 16.887 -7.855 1.917
57 HB3 SER 8 HB2 SER 8 17.797 -6.432 2.465
58 HG SER 8 HG SER 8 15.006 -6.871 2.777
59 H CYS 9 H CYS 9 14.393 -4.620 0.957
60 HA CYS 9 HA CYS 9 15.823 -2.017 0.833
61 HB2 CYS 9 HB3 CYS 9 13.926 -1.255 -0.418
62 HB3 CYS 9 HB2 CYS 9 14.393 -2.801 -1.092
63 H VAL 10 H VAL 10 14.297 -0.221 1.470
64 HA VAL 10 HA VAL 10 12.631 -0.658 3.875
65 HB VAL 10 HB VAL 10 13.437 1.857 2.351
66 HG11 VAL 10 HG11 VAL 10 11.125 2.145 3.103
67 HG12 VAL 10 HG12 VAL 10 12.184 3.075 4.166
68 HG13 VAL 10 HG13 VAL 10 11.531 1.519 4.717
69 HG21 VAL 10 HG21 VAL 10 14.517 2.507 4.461
70 HG22 VAL 10 HG22 VAL 10 15.185 0.973 3.887
71 HG23 VAL 10 HG23 VAL 10 14.007 0.977 5.216
72 HA PRO 11 HA PRO 11 9.700 -1.353 0.450
73 HB2 PRO 11 HB3 PRO 11 7.647 -2.464 1.787
74 HB3 PRO 11 HB2 PRO 11 9.249 -3.248 1.690
75 HG2 PRO 11 HG3 PRO 11 8.201 -1.502 3.952
76 HG3 PRO 11 HG2 PRO 11 8.871 -3.163 4.074
77 HD2 PRO 11 HD3 PRO 11 10.415 -0.930 4.448
78 HD3 PRO 11 HD2 PRO 11 11.064 -2.412 3.679
79 H GLY 12 H GLY 12 10.049 1.256 1.230
80 HA2 GLY 12 HA2 GLY 12 7.414 2.380 0.528
81 HA3 GLY 12 HA3 GLY 12 8.319 3.135 1.856
82 H LYS 13 H LYS 13 10.009 1.597 -0.798
83 HA LYS 13 HA LYS 13 11.543 2.260 -2.245
84 HB2 LYS 13 HB3 LYS 13 9.394 4.284 -2.966
85 HB3 LYS 13 HB2 LYS 13 10.806 3.888 -3.940
86 HG2 LYS 13 HG3 LYS 13 9.089 2.705 -4.894
87 HG3 LYS 13 HG2 LYS 13 10.015 1.488 -4.030
88 HD2 LYS 13 HD3 LYS 13 8.309 1.262 -2.347
89 HD3 LYS 13 HD2 LYS 13 7.487 2.747 -2.861
90 HE2 LYS 13 HE3 LYS 13 7.774 0.268 -4.603
91 HE3 LYS 13 HE2 LYS 13 6.387 0.570 -3.540
92 HZ1 LYS 13 HZ1 LYS 13 5.961 2.572 -4.755
93 HZ2 LYS 13 HZ2 LYS 13 5.950 1.266 -5.762
94 HZ3 LYS 13 HZ3 LYS 13 7.243 2.290 -5.753
95 H ASN 14 H ASN 14 12.694 2.897 -0.177
96 HA ASN 14 HA ASN 14 13.650 5.712 -0.400
97 HB2 ASN 14 HB3 ASN 14 13.168 4.176 2.176
98 HB3 ASN 14 HB2 ASN 14 13.855 5.792 2.052
99 HD21 ASN 14 HD21 ASN 14 11.226 4.575 3.252
100 HD22 ASN 14 HD22 ASN 14 10.001 5.679 2.675
101 H GLU 15 H GLU 15 14.633 2.785 -1.196
102 HA GLU 15 HA GLU 15 17.459 3.277 -0.398
103 HB2 GLU 15 HB3 GLU 15 15.889 0.679 -0.294
104 HB3 GLU 15 HB2 GLU 15 17.641 0.733 -0.378
105 HG2 GLU 15 HG3 GLU 15 16.048 2.068 1.841
106 HG3 GLU 15 HG2 GLU 15 16.741 0.448 1.939
107 H CYS 16 H CYS 16 15.289 1.424 -2.639
108 HA CYS 16 HA CYS 16 17.300 0.377 -4.160
109 HB2 CYS 16 HB3 CYS 16 14.482 1.061 -5.036
110 HB3 CYS 16 HB2 CYS 16 15.565 -0.081 -5.831
111 H CYS 17 H CYS 17 18.390 0.821 -6.020
112 HA CYS 17 HA CYS 17 19.115 3.491 -6.544
113 HB2 CYS 17 HB3 CYS 17 19.612 1.005 -8.220
114 HB3 CYS 17 HB2 CYS 17 20.479 2.520 -8.352
115 H SER 18 H SER 18 19.379 4.242 -8.925
116 HA SER 18 HA SER 18 16.834 4.887 -10.053
117 HB2 SER 18 HB3 SER 18 18.806 6.353 -10.166
118 HB3 SER 18 HB2 SER 18 19.652 5.159 -11.173
119 HG SER 18 HG SER 18 17.963 5.416 -12.709
120 H GLY 19 H GLY 19 15.603 3.470 -11.048
121 HA2 GLY 19 HA2 GLY 19 15.071 2.257 -13.050
122 HA3 GLY 19 HA3 GLY 19 16.688 1.549 -13.052
123 H LEU 20 H LEU 20 15.091 1.873 -9.975
124 HA LEU 20 HA LEU 20 14.011 -0.878 -9.956
125 HB2 LEU 20 HB3 LEU 20 15.971 0.293 -7.950
126 HB3 LEU 20 HB2 LEU 20 15.101 -1.219 -7.729
127 HG LEU 20 HG LEU 20 17.051 -0.757 -10.016
128 HD11 LEU 20 HD11 LEU 20 18.712 -1.937 -8.714
129 HD12 LEU 20 HD12 LEU 20 17.574 -2.128 -7.355
130 HD13 LEU 20 HD13 LEU 20 18.158 -0.521 -7.808
131 HD21 LEU 20 HD21 LEU 20 17.047 -3.203 -10.172
132 HD22 LEU 20 HD22 LEU 20 15.399 -2.607 -10.327
133 HD23 LEU 20 HD23 LEU 20 15.923 -3.320 -8.794
134 H THR 21 H THR 21 12.717 -1.270 -8.048
135 HA THR 21 HA THR 21 11.697 0.864 -6.423
136 HB THR 21 HB THR 21 10.477 1.425 -8.460
137 HG1 THR 21 HG1 THR 21 8.404 1.254 -7.555
138 HG21 THR 21 HG21 THR 21 10.397 -0.806 -9.606
139 HG22 THR 21 HG22 THR 21 8.826 -0.002 -9.513
140 HG23 THR 21 HG23 THR 21 9.189 -1.342 -8.416
141 H CYS 22 H CYS 22 11.122 -0.084 -4.503
142 HA CYS 22 HA CYS 22 11.457 -2.926 -4.358
143 HB2 CYS 22 HB3 CYS 22 12.166 -1.231 -2.589
144 HB3 CYS 22 HB2 CYS 22 10.472 -1.235 -2.055
145 H SER 23 H SER 23 10.022 -4.474 -4.542
146 HA SER 23 HA SER 23 7.256 -4.196 -4.962
147 HB2 SER 23 HB3 SER 23 8.706 -6.112 -5.607
148 HB3 SER 23 HB2 SER 23 8.841 -6.577 -3.905
149 HG SER 23 HG SER 23 7.196 -7.723 -5.015
150 H ASN 24 H ASN 24 5.473 -4.419 -3.628
151 HA ASN 24 HA ASN 24 5.671 -4.004 -0.780
152 HB2 ASN 24 HB3 ASN 24 3.790 -3.162 -2.101
153 HB3 ASN 24 HB2 ASN 24 3.351 -4.799 -2.588
154 HD21 ASN 24 HD21 ASN 24 1.830 -5.833 -1.345
155 HD22 ASN 24 HD22 ASN 24 1.378 -5.372 0.281
156 H LYS 25 H LYS 25 5.001 -6.823 -2.915
157 HA LYS 25 HA LYS 25 4.396 -8.668 -0.819
158 HB2 LYS 25 HB3 LYS 25 5.117 -9.005 -3.762
159 HB3 LYS 25 HB2 LYS 25 4.798 -10.358 -2.692
160 HG2 LYS 25 HG3 LYS 25 2.814 -9.916 -3.922
161 HG3 LYS 25 HG2 LYS 25 2.532 -9.552 -2.226
162 HD2 LYS 25 HD3 LYS 25 1.442 -7.951 -3.756
163 HD3 LYS 25 HD2 LYS 25 2.583 -7.153 -2.677
164 HE2 LYS 25 HE3 LYS 25 4.274 -7.110 -4.499
165 HE3 LYS 25 HE2 LYS 25 3.136 -7.948 -5.571
166 HZ1 LYS 25 HZ1 LYS 25 3.138 -5.599 -5.936
167 HZ2 LYS 25 HZ2 LYS 25 2.727 -5.304 -4.366
168 HZ3 LYS 25 HZ3 LYS 25 1.668 -6.081 -5.363
169 H HIS 26 H HIS 26 7.190 -8.742 -3.095
170 HA HIS 26 HA HIS 26 8.634 -10.644 -1.580
171 HB2 HIS 26 HB3 HIS 26 9.508 -8.785 -3.823
172 HB3 HIS 26 HB2 HIS 26 10.454 -10.139 -3.207
173 HD1 HIS 26 HD1 HIS 26 9.597 -12.609 -3.864
174 HD2 HIS 26 HD2 HIS 26 7.347 -9.397 -5.368
175 HE1 HIS 26 HE1 HIS 26 8.038 -13.572 -5.641
176 H LYS 27 H LYS 27 8.654 -7.122 -1.464
177 HA LYS 27 HA LYS 27 9.913 -5.569 -0.477
178 HB2 LYS 27 HB3 LYS 27 10.252 -7.644 1.705
179 HB3 LYS 27 HB2 LYS 27 10.571 -5.907 1.844
180 HG2 LYS 27 HG3 LYS 27 8.177 -5.448 1.241
181 HG3 LYS 27 HG2 LYS 27 7.874 -7.196 1.265
182 HD2 LYS 27 HD3 LYS 27 8.550 -7.297 3.647
183 HD3 LYS 27 HD2 LYS 27 8.921 -5.566 3.617
184 HE2 LYS 27 HE3 LYS 27 6.764 -5.823 4.632
185 HE3 LYS 27 HE2 LYS 27 6.528 -5.097 3.033
186 HZ1 LYS 27 HZ1 LYS 27 5.942 -7.268 2.218
187 HZ2 LYS 27 HZ2 LYS 27 4.960 -6.834 3.470
188 HZ3 LYS 27 HZ3 LYS 27 6.166 -7.933 3.710
189 H TRP 28 H TRP 28 11.184 -6.711 -2.516
190 HA TRP 28 HA TRP 28 13.875 -5.912 -1.758
191 HB2 TRP 28 HB3 TRP 28 15.055 -7.569 -2.873
192 HB3 TRP 28 HB2 TRP 28 13.954 -8.389 -1.803
193 HD1 TRP 28 HD1 TRP 28 11.804 -7.793 -4.656
194 HE1 TRP 28 HE1 TRP 28 11.842 -9.650 -6.356
195 HE3 TRP 28 HE3 TRP 28 15.999 -10.217 -3.038
196 HZ2 TRP 28 HZ2 TRP 28 13.504 -11.960 -6.979
197 HZ3 TRP 28 HZ3 TRP 28 16.794 -12.247 -4.215
198 HH2 TRP 28 HH2 TRP 28 15.559 -13.124 -6.184
199 H CYS 29 H CYS 29 15.119 -5.145 -3.642
200 HA CYS 29 HA CYS 29 13.550 -3.358 -5.227
201 HB2 CYS 29 HB3 CYS 29 16.443 -4.207 -5.514
202 HB3 CYS 29 HB2 CYS 29 15.699 -2.795 -6.260
203 H LYS 30 H LYS 30 12.724 -3.543 -7.239
204 HA LYS 30 HA LYS 30 13.779 -5.529 -9.101
205 HB2 LYS 30 HB3 LYS 30 11.527 -6.324 -9.751
206 HB3 LYS 30 HB2 LYS 30 12.092 -6.885 -8.181
207 HG2 LYS 30 HG3 LYS 30 10.585 -5.462 -7.001
208 HG3 LYS 30 HG2 LYS 30 10.225 -4.500 -8.438
209 HD2 LYS 30 HD3 LYS 30 8.379 -6.069 -7.831
210 HD3 LYS 30 HD2 LYS 30 8.995 -6.267 -9.464
211 HE2 LYS 30 HE3 LYS 30 8.561 -8.442 -8.457
212 HE3 LYS 30 HE2 LYS 30 10.286 -8.245 -8.798
213 HZ1 LYS 30 HZ1 LYS 30 9.008 -7.915 -6.179
214 HZ2 LYS 30 HZ2 LYS 30 10.616 -7.725 -6.492
215 HZ3 LYS 30 HZ3 LYS 30 9.912 -9.207 -6.662
216 H VAL 31 H VAL 31 13.242 -5.179 -11.254
217 HA VAL 31 HA VAL 31 14.012 -2.642 -11.895
218 HB VAL 31 HB VAL 31 12.831 -4.701 -13.784
219 HG11 VAL 31 HG11 VAL 31 13.141 -2.506 -14.856
220 HG12 VAL 31 HG12 VAL 31 14.358 -3.647 -15.441
221 HG13 VAL 31 HG13 VAL 31 14.808 -2.418 -14.239
222 HG21 VAL 31 HG21 VAL 31 15.221 -5.409 -14.091
223 HG22 VAL 31 HG22 VAL 31 15.681 -4.357 -12.733
224 HG23 VAL 31 HG23 VAL 31 14.608 -5.753 -12.477
225 H LEU 32 H LEU 32 13.030 -0.793 -11.816
226 HA LEU 32 HA LEU 32 10.225 -0.321 -12.328
227 HB2 LEU 32 HB3 LEU 32 11.459 1.102 -10.786
228 HB3 LEU 32 HB2 LEU 32 12.644 1.490 -12.021
229 HG LEU 32 HG LEU 32 10.864 2.710 -13.301
230 HD11 LEU 32 HD11 LEU 32 9.133 2.128 -10.852
231 HD12 LEU 32 HD12 LEU 32 8.852 1.518 -12.499
232 HD13 LEU 32 HD13 LEU 32 8.727 3.249 -12.168
233 HD21 LEU 32 HD21 LEU 32 12.361 3.886 -11.735
234 HD22 LEU 32 HD22 LEU 32 10.752 4.628 -11.763
235 HD23 LEU 32 HD23 LEU 32 11.223 3.584 -10.402
236 H LEU 33 H LEU 33 13.211 0.612 -13.942
237 HA LEU 33 HA LEU 33 11.833 1.402 -16.402
238 HB2 LEU 33 HB3 LEU 33 14.762 1.470 -15.574
239 HB3 LEU 33 HB2 LEU 33 14.138 2.102 -17.097
240 HG LEU 33 HG LEU 33 13.374 3.136 -14.325
241 HD11 LEU 33 HD11 LEU 33 15.722 3.624 -14.958
242 HD12 LEU 33 HD12 LEU 33 14.733 5.092 -14.919
243 HD13 LEU 33 HD13 LEU 33 15.160 4.351 -16.477
244 HD21 LEU 33 HD21 LEU 33 11.521 3.521 -15.879
245 HD22 LEU 33 HD22 LEU 33 12.640 4.176 -17.097
246 HD23 LEU 33 HD23 LEU 33 12.362 5.041 -15.571
247 HN1 NH2 34 HN1 AMD 34 11.078 -0.405 -17.470
248 HN2 NH2 34 HN2 AMD 34 12.123 -1.667 -18.083
Start of MODEL 16
1 H1 GLU 1 H1 AMN 0 24.659 4.721 1.383
2 H2 GLU 1 H2 AMN 0 23.011 4.727 1.301
3 H3 GLU 1 H3 AMN 0 23.815 3.327 1.637
4 HA GLU 1 HA GLU 1 23.949 4.841 -0.850
5 HB2 GLU 1 HB3 GLU 1 25.288 3.045 -1.769
6 HB3 GLU 1 HB2 GLU 1 26.047 3.778 -0.370
7 HG2 GLU 1 HG3 GLU 1 26.480 1.517 -0.077
8 HG3 GLU 1 HG2 GLU 1 25.133 1.797 1.016
9 H CYS 2 H CYS 2 22.931 3.929 -2.682
10 HA CYS 2 HA CYS 2 20.314 3.003 -2.089
11 HB2 CYS 2 HB3 CYS 2 19.898 3.189 -4.430
12 HB3 CYS 2 HB2 CYS 2 20.886 4.542 -3.917
13 H LYS 3 H LYS 3 19.283 1.102 -2.515
14 HA LYS 3 HA LYS 3 20.876 -1.324 -2.282
15 HB2 LYS 3 HB3 LYS 3 17.899 -0.704 -2.361
16 HB3 LYS 3 HB2 LYS 3 18.523 -2.345 -2.233
17 HG2 LYS 3 HG3 LYS 3 19.137 -0.121 -0.244
18 HG3 LYS 3 HG2 LYS 3 17.838 -1.304 -0.071
19 HD2 LYS 3 HD3 LYS 3 19.522 -3.146 -0.109
20 HD3 LYS 3 HD2 LYS 3 20.820 -1.938 -0.140
21 HE2 LYS 3 HE3 LYS 3 18.693 -2.190 2.028
22 HE3 LYS 3 HE2 LYS 3 20.344 -2.824 2.141
23 HZ1 LYS 3 HZ1 LYS 3 19.624 0.002 1.828
24 HZ2 LYS 3 HZ2 LYS 3 21.158 -0.595 1.930
25 HZ3 LYS 3 HZ3 LYS 3 20.137 -0.720 3.220
26 H GLY 4 H GLY 4 21.496 -2.637 -3.904
27 HA2 GLY 4 HA2 GLY 4 20.856 -2.109 -6.667
28 HA3 GLY 4 HA3 GLY 4 21.804 -3.452 -6.008
29 H PHE 5 H PHE 5 20.282 -4.165 -8.051
30 HA PHE 5 HA PHE 5 17.612 -4.838 -7.697
31 HB2 PHE 5 HB3 PHE 5 18.812 -4.622 -9.816
32 HB3 PHE 5 HB2 PHE 5 19.914 -5.914 -9.373
33 HD1 PHE 5 HD1 PHE 5 16.165 -5.433 -9.510
34 HD2 PHE 5 HD2 PHE 5 19.564 -7.917 -10.472
35 HE1 PHE 5 HE1 PHE 5 14.656 -7.109 -10.550
36 HE2 PHE 5 HE2 PHE 5 18.047 -9.577 -11.516
37 HZ PHE 5 HZ PHE 5 15.604 -9.163 -11.546
38 H GLY 6 H GLY 6 16.649 -6.381 -6.529
39 HA2 GLY 6 HA2 GLY 6 16.207 -8.412 -5.597
40 HA3 GLY 6 HA3 GLY 6 17.809 -8.997 -6.048
41 H LYS 7 H LYS 7 18.168 -6.045 -4.370
42 HA LYS 7 HA LYS 7 18.949 -7.422 -1.883
43 HB2 LYS 7 HB3 LYS 7 19.217 -4.497 -2.655
44 HB3 LYS 7 HB2 LYS 7 19.954 -5.297 -1.275
45 HG2 LYS 7 HG3 LYS 7 20.605 -5.820 -4.206
46 HG3 LYS 7 HG2 LYS 7 21.581 -4.904 -3.060
47 HD2 LYS 7 HD3 LYS 7 21.898 -6.955 -1.689
48 HD3 LYS 7 HD2 LYS 7 20.963 -7.892 -2.868
49 HE2 LYS 7 HE3 LYS 7 23.512 -6.354 -3.508
50 HE3 LYS 7 HE2 LYS 7 23.439 -8.088 -3.155
51 HZ1 LYS 7 HZ1 LYS 7 22.021 -8.364 -5.046
52 HZ2 LYS 7 HZ2 LYS 7 23.448 -7.667 -5.492
53 HZ3 LYS 7 HZ3 LYS 7 22.081 -6.751 -5.383
54 H SER 8 H SER 8 17.807 -7.337 -0.053
55 HA SER 8 HA SER 8 15.102 -6.536 -0.003
56 HB2 SER 8 HB3 SER 8 16.065 -8.344 1.374
57 HB3 SER 8 HB2 SER 8 16.985 -7.147 2.310
58 HG SER 8 HG SER 8 14.157 -7.273 2.051
59 H CYS 9 H CYS 9 14.230 -4.612 0.222
60 HA CYS 9 HA CYS 9 15.903 -2.271 0.765
61 HB2 CYS 9 HB3 CYS 9 14.141 -1.053 -0.271
62 HB3 CYS 9 HB2 CYS 9 14.343 -2.513 -1.205
63 H VAL 10 H VAL 10 14.671 -0.410 1.800
64 HA VAL 10 HA VAL 10 13.501 -0.988 4.426
65 HB VAL 10 HB VAL 10 14.150 1.514 2.825
66 HG11 VAL 10 HG11 VAL 10 12.082 2.085 3.951
67 HG12 VAL 10 HG12 VAL 10 13.425 2.868 4.777
68 HG13 VAL 10 HG13 VAL 10 12.683 1.413 5.486
69 HG21 VAL 10 HG21 VAL 10 15.130 0.522 5.542
70 HG22 VAL 10 HG22 VAL 10 15.692 1.976 4.683
71 HG23 VAL 10 HG23 VAL 10 16.028 0.370 4.019
72 HA PRO 11 HA PRO 11 9.402 -0.926 2.386
73 HB2 PRO 11 HB3 PRO 11 7.796 -0.887 4.616
74 HB3 PRO 11 HB2 PRO 11 8.626 -2.358 4.028
75 HG2 PRO 11 HG3 PRO 11 9.506 -0.481 6.235
76 HG3 PRO 11 HG2 PRO 11 9.482 -2.272 6.242
77 HD2 PRO 11 HD3 PRO 11 11.742 -0.816 5.721
78 HD3 PRO 11 HD2 PRO 11 11.433 -2.393 4.936
79 H GLY 12 H GLY 12 9.432 0.941 1.374
80 HA2 GLY 12 HA2 GLY 12 8.261 3.375 2.097
81 HA3 GLY 12 HA3 GLY 12 10.017 3.440 2.442
82 H LYS 13 H LYS 13 10.869 1.531 0.572
83 HA LYS 13 HA LYS 13 11.165 0.782 -1.435
84 HB2 LYS 13 HB3 LYS 13 8.785 2.417 -2.427
85 HB3 LYS 13 HB2 LYS 13 9.516 1.030 -3.221
86 HG2 LYS 13 HG3 LYS 13 8.726 -0.476 -1.441
87 HG3 LYS 13 HG2 LYS 13 8.096 0.879 -0.512
88 HD2 LYS 13 HD3 LYS 13 6.443 1.394 -2.185
89 HD3 LYS 13 HD2 LYS 13 7.103 0.178 -3.296
90 HE2 LYS 13 HE3 LYS 13 6.577 -1.614 -1.686
91 HE3 LYS 13 HE2 LYS 13 5.977 -0.414 -0.524
92 HZ1 LYS 13 HZ1 LYS 13 4.841 -0.938 -3.178
93 HZ2 LYS 13 HZ2 LYS 13 4.285 0.174 -2.094
94 HZ3 LYS 13 HZ3 LYS 13 4.207 -1.435 -1.738
95 H ASN 14 H ASN 14 11.895 3.575 -0.371
96 HA ASN 14 HA ASN 14 12.479 5.042 -2.774
97 HB2 ASN 14 HB3 ASN 14 11.530 6.129 -0.771
98 HB3 ASN 14 HB2 ASN 14 12.995 5.765 0.142
99 HD21 ASN 14 HD21 ASN 14 14.547 7.349 0.165
100 HD22 ASN 14 HD22 ASN 14 14.665 8.660 -0.987
101 H GLU 15 H GLU 15 14.187 2.843 -0.661
102 HA GLU 15 HA GLU 15 16.824 3.882 -0.806
103 HB2 GLU 15 HB3 GLU 15 15.662 1.124 -0.286
104 HB3 GLU 15 HB2 GLU 15 17.402 1.395 -0.342
105 HG2 GLU 15 HG3 GLU 15 15.521 2.883 1.524
106 HG3 GLU 15 HG2 GLU 15 16.485 1.462 1.955
107 H CYS 16 H CYS 16 15.123 1.552 -2.947
108 HA CYS 16 HA CYS 16 17.295 0.504 -4.244
109 HB2 CYS 16 HB3 CYS 16 14.544 1.043 -5.393
110 HB3 CYS 16 HB2 CYS 16 15.728 -0.117 -6.005
111 H CYS 17 H CYS 17 18.521 0.922 -6.023
112 HA CYS 17 HA CYS 17 19.207 3.588 -6.585
113 HB2 CYS 17 HB3 CYS 17 19.896 1.076 -8.147
114 HB3 CYS 17 HB2 CYS 17 20.754 2.602 -8.223
115 H SER 18 H SER 18 19.682 4.201 -9.008
116 HA SER 18 HA SER 18 17.248 4.973 -10.228
117 HB2 SER 18 HB3 SER 18 20.101 4.931 -11.292
118 HB3 SER 18 HB2 SER 18 18.734 5.758 -12.066
119 HG SER 18 HG SER 18 18.502 6.980 -10.143
120 H GLY 19 H GLY 19 15.874 3.671 -11.181
121 HA2 GLY 19 HA2 GLY 19 15.164 2.521 -13.128
122 HA3 GLY 19 HA3 GLY 19 16.736 1.727 -13.256
123 H LEU 20 H LEU 20 15.217 2.013 -10.111
124 HA LEU 20 HA LEU 20 14.132 -0.743 -10.135
125 HB2 LEU 20 HB3 LEU 20 16.047 0.410 -8.080
126 HB3 LEU 20 HB2 LEU 20 15.216 -1.133 -7.932
127 HG LEU 20 HG LEU 20 17.226 -0.531 -10.132
128 HD11 LEU 20 HD11 LEU 20 18.856 -1.763 -8.790
129 HD12 LEU 20 HD12 LEU 20 17.665 -1.968 -7.483
130 HD13 LEU 20 HD13 LEU 20 18.266 -0.355 -7.894
131 HD21 LEU 20 HD21 LEU 20 17.317 -2.985 -10.350
132 HD22 LEU 20 HD22 LEU 20 15.673 -2.412 -10.601
133 HD23 LEU 20 HD23 LEU 20 16.106 -3.161 -9.055
134 H THR 21 H THR 21 12.827 -1.147 -8.239
135 HA THR 21 HA THR 21 11.879 0.970 -6.545
136 HB THR 21 HB THR 21 10.598 1.548 -8.560
137 HG1 THR 21 HG1 THR 21 9.039 0.316 -6.548
138 HG21 THR 21 HG21 THR 21 8.879 0.132 -9.519
139 HG22 THR 21 HG22 THR 21 9.263 -1.193 -8.411
140 HG23 THR 21 HG23 THR 21 10.431 -0.704 -9.658
141 H CYS 22 H CYS 22 11.180 0.009 -4.613
142 HA CYS 22 HA CYS 22 11.610 -2.827 -4.500
143 HB2 CYS 22 HB3 CYS 22 12.214 -1.098 -2.714
144 HB3 CYS 22 HB2 CYS 22 10.517 -1.149 -2.261
145 H SER 23 H SER 23 10.207 -4.441 -4.548
146 HA SER 23 HA SER 23 7.473 -4.273 -5.158
147 HB2 SER 23 HB3 SER 23 9.020 -6.192 -5.535
148 HB3 SER 23 HB2 SER 23 9.055 -6.497 -3.798
149 HG SER 23 HG SER 23 7.527 -7.799 -4.904
150 H ASN 24 H ASN 24 5.609 -4.560 -3.916
151 HA ASN 24 HA ASN 24 5.598 -3.795 -1.126
152 HB2 ASN 24 HB3 ASN 24 3.767 -3.253 -2.713
153 HB3 ASN 24 HB2 ASN 24 3.419 -4.967 -2.914
154 HD21 ASN 24 HD21 ASN 24 2.090 -5.983 -1.408
155 HD22 ASN 24 HD22 ASN 24 1.476 -5.210 0.037
156 H LYS 25 H LYS 25 5.135 -6.843 -2.975
157 HA LYS 25 HA LYS 25 4.482 -8.405 -0.615
158 HB2 LYS 25 HB3 LYS 25 4.818 -9.046 -3.570
159 HB3 LYS 25 HB2 LYS 25 4.488 -10.281 -2.347
160 HG2 LYS 25 HG3 LYS 25 2.402 -9.156 -1.698
161 HG3 LYS 25 HG2 LYS 25 2.689 -7.868 -2.880
162 HD2 LYS 25 HD3 LYS 25 2.636 -9.537 -4.719
163 HD3 LYS 25 HD2 LYS 25 2.317 -10.824 -3.534
164 HE2 LYS 25 HE3 LYS 25 0.235 -9.677 -2.846
165 HE3 LYS 25 HE2 LYS 25 0.558 -8.380 -4.014
166 HZ1 LYS 25 HZ1 LYS 25 0.120 -11.205 -4.675
167 HZ2 LYS 25 HZ2 LYS 25 0.419 -9.998 -5.758
168 HZ3 LYS 25 HZ3 LYS 25 -0.972 -9.985 -4.873
169 H HIS 26 H HIS 26 7.033 -8.794 -3.138
170 HA HIS 26 HA HIS 26 8.579 -10.668 -1.701
171 HB2 HIS 26 HB3 HIS 26 9.405 -8.786 -3.945
172 HB3 HIS 26 HB2 HIS 26 10.287 -10.215 -3.417
173 HD1 HIS 26 HD1 HIS 26 6.900 -9.353 -5.093
174 HD2 HIS 26 HD2 HIS 26 9.614 -12.506 -4.508
175 HE1 HIS 26 HE1 HIS 26 6.105 -11.285 -6.560
176 H LYS 27 H LYS 27 8.529 -7.169 -1.581
177 HA LYS 27 HA LYS 27 9.796 -5.580 -0.750
178 HB2 LYS 27 HB3 LYS 27 8.766 -6.780 1.259
179 HB3 LYS 27 HB2 LYS 27 10.357 -7.454 1.558
180 HG2 LYS 27 HG3 LYS 27 10.002 -5.506 2.960
181 HG3 LYS 27 HG2 LYS 27 11.285 -5.156 1.812
182 HD2 LYS 27 HD3 LYS 27 9.826 -3.231 2.102
183 HD3 LYS 27 HD2 LYS 27 9.720 -3.808 0.444
184 HE2 LYS 27 HE3 LYS 27 7.604 -4.984 0.981
185 HE3 LYS 27 HE2 LYS 27 7.696 -4.364 2.643
186 HZ1 LYS 27 HZ1 LYS 27 7.519 -2.737 0.204
187 HZ2 LYS 27 HZ2 LYS 27 7.606 -2.152 1.744
188 HZ3 LYS 27 HZ3 LYS 27 6.290 -3.025 1.265
189 H TRP 28 H TRP 28 11.105 -6.524 -2.724
190 HA TRP 28 HA TRP 28 13.837 -5.890 -1.935
191 HB2 TRP 28 HB3 TRP 28 14.901 -7.548 -3.253
192 HB3 TRP 28 HB2 TRP 28 13.883 -8.330 -2.072
193 HD1 TRP 28 HD1 TRP 28 11.613 -7.534 -4.878
194 HE1 TRP 28 HE1 TRP 28 11.334 -9.470 -6.458
195 HE3 TRP 28 HE3 TRP 28 15.497 -10.406 -3.242
196 HZ2 TRP 28 HZ2 TRP 28 12.630 -12.024 -6.979
197 HZ3 TRP 28 HZ3 TRP 28 15.959 -12.601 -4.306
198 HH2 TRP 28 HH2 TRP 28 14.534 -13.417 -6.170
199 H CYS 29 H CYS 29 15.126 -5.111 -3.776
200 HA CYS 29 HA CYS 29 13.630 -3.271 -5.395
201 HB2 CYS 29 HB3 CYS 29 16.505 -4.175 -5.557
202 HB3 CYS 29 HB2 CYS 29 15.828 -2.765 -6.371
203 H LYS 30 H LYS 30 12.858 -3.447 -7.403
204 HA LYS 30 HA LYS 30 13.851 -5.488 -9.241
205 HB2 LYS 30 HB3 LYS 30 11.569 -6.244 -9.833
206 HB3 LYS 30 HB2 LYS 30 12.138 -6.758 -8.249
207 HG2 LYS 30 HG3 LYS 30 10.716 -5.126 -7.134
208 HG3 LYS 30 HG2 LYS 30 10.267 -4.387 -8.678
209 HD2 LYS 30 HD3 LYS 30 8.482 -5.841 -7.806
210 HD3 LYS 30 HD2 LYS 30 9.085 -6.400 -9.369
211 HE2 LYS 30 HE3 LYS 30 10.425 -8.144 -8.282
212 HE3 LYS 30 HE2 LYS 30 9.945 -7.554 -6.682
213 HZ1 LYS 30 HZ1 LYS 30 8.654 -9.429 -7.359
214 HZ2 LYS 30 HZ2 LYS 30 8.138 -8.648 -8.717
215 HZ3 LYS 30 HZ3 LYS 30 7.689 -8.099 -7.228
216 H VAL 31 H VAL 31 13.411 -5.096 -11.392
217 HA VAL 31 HA VAL 31 14.094 -2.485 -11.935
218 HB VAL 31 HB VAL 31 13.144 -4.379 -14.093
219 HG11 VAL 31 HG11 VAL 31 13.887 -2.022 -14.666
220 HG12 VAL 31 HG12 VAL 31 14.887 -3.288 -15.401
221 HG13 VAL 31 HG13 VAL 31 15.473 -2.407 -13.977
222 HG21 VAL 31 HG21 VAL 31 15.486 -5.290 -14.133
223 HG22 VAL 31 HG22 VAL 31 15.792 -4.492 -12.575
224 HG23 VAL 31 HG23 VAL 31 14.573 -5.783 -12.709
225 H LEU 32 H LEU 32 12.987 -0.720 -11.920
226 HA LEU 32 HA LEU 32 10.186 -0.403 -12.194
227 HB2 LEU 32 HB3 LEU 32 11.550 1.192 -10.984
228 HB3 LEU 32 HB2 LEU 32 12.559 1.481 -12.388
229 HG LEU 32 HG LEU 32 10.615 2.576 -13.528
230 HD11 LEU 32 HD11 LEU 32 8.614 3.180 -12.205
231 HD12 LEU 32 HD12 LEU 32 9.205 2.207 -10.843
232 HD13 LEU 32 HD13 LEU 32 8.743 1.425 -12.371
233 HD21 LEU 32 HD21 LEU 32 12.262 3.897 -12.264
234 HD22 LEU 32 HD22 LEU 32 10.647 4.615 -12.150
235 HD23 LEU 32 HD23 LEU 32 11.306 3.695 -10.779
236 H LEU 33 H LEU 33 12.853 0.222 -14.375
237 HA LEU 33 HA LEU 33 11.210 1.136 -16.581
238 HB2 LEU 33 HB3 LEU 33 14.178 0.477 -16.389
239 HB3 LEU 33 HB2 LEU 33 13.405 1.240 -17.778
240 HG LEU 33 HG LEU 33 13.588 2.451 -14.975
241 HD11 LEU 33 HD11 LEU 33 15.153 4.028 -16.007
242 HD12 LEU 33 HD12 LEU 33 15.013 3.182 -17.564
243 HD13 LEU 33 HD13 LEU 33 15.745 2.366 -16.164
244 HD21 LEU 33 HD21 LEU 33 12.432 3.613 -17.548
245 HD22 LEU 33 HD22 LEU 33 12.754 4.532 -16.060
246 HD23 LEU 33 HD23 LEU 33 11.540 3.252 -16.051
247 HN1 NH2 34 HN1 AMD 34 10.938 0.185 -18.637
248 HN2 NH2 34 HN2 AMD 34 11.078 -1.544 -18.872
Start of MODEL 17
1 H1 GLU 1 H1 AMN 0 26.253 3.994 -0.201
2 H2 GLU 1 H2 AMN 0 24.704 4.182 0.335
3 H3 GLU 1 H3 AMN 0 25.356 2.672 0.211
4 HA GLU 1 HA GLU 1 24.819 4.505 -1.996
5 HB2 GLU 1 HB3 GLU 1 25.444 2.716 -3.500
6 HB3 GLU 1 HB2 GLU 1 26.781 3.117 -2.425
7 HG2 GLU 1 HG3 GLU 1 26.294 1.120 -1.040
8 HG3 GLU 1 HG2 GLU 1 24.908 0.728 -2.066
9 H CYS 2 H CYS 2 23.203 3.769 -3.502
10 HA CYS 2 HA CYS 2 20.731 3.014 -2.342
11 HB2 CYS 2 HB3 CYS 2 19.923 3.064 -4.634
12 HB3 CYS 2 HB2 CYS 2 20.977 4.431 -4.314
13 H LYS 3 H LYS 3 19.467 1.139 -2.644
14 HA LYS 3 HA LYS 3 20.976 -1.349 -2.493
15 HB2 LYS 3 HB3 LYS 3 18.048 -0.593 -2.213
16 HB3 LYS 3 HB2 LYS 3 18.578 -2.273 -2.200
17 HG2 LYS 3 HG3 LYS 3 19.687 -0.179 -0.285
18 HG3 LYS 3 HG2 LYS 3 18.264 -1.167 0.066
19 HD2 LYS 3 HD3 LYS 3 19.596 -3.217 -0.045
20 HD3 LYS 3 HD2 LYS 3 21.029 -2.303 -0.543
21 HE2 LYS 3 HE3 LYS 3 21.238 -2.779 1.798
22 HE3 LYS 3 HE2 LYS 3 20.952 -1.041 1.604
23 HZ1 LYS 3 HZ1 LYS 3 18.938 -3.047 2.342
24 HZ2 LYS 3 HZ2 LYS 3 18.660 -1.432 2.161
25 HZ3 LYS 3 HZ3 LYS 3 19.651 -1.968 3.366
26 H GLY 4 H GLY 4 21.544 -2.494 -4.186
27 HA2 GLY 4 HA2 GLY 4 20.610 -2.019 -6.856
28 HA3 GLY 4 HA3 GLY 4 21.732 -3.272 -6.306
29 H PHE 5 H PHE 5 20.182 -4.118 -8.224
30 HA PHE 5 HA PHE 5 17.575 -4.835 -7.785
31 HB2 PHE 5 HB3 PHE 5 18.767 -4.599 -9.927
32 HB3 PHE 5 HB2 PHE 5 19.798 -5.961 -9.531
33 HD1 PHE 5 HD1 PHE 5 16.085 -5.864 -8.960
34 HD2 PHE 5 HD2 PHE 5 19.332 -7.301 -11.421
35 HE1 PHE 5 HE1 PHE 5 14.547 -7.454 -10.066
36 HE2 PHE 5 HE2 PHE 5 17.772 -8.865 -12.546
37 HZ PHE 5 HZ PHE 5 15.394 -8.943 -11.854
38 H GLY 6 H GLY 6 16.704 -6.236 -6.442
39 HA2 GLY 6 HA2 GLY 6 16.212 -8.221 -5.456
40 HA3 GLY 6 HA3 GLY 6 17.698 -8.939 -6.085
41 H LYS 7 H LYS 7 17.476 -5.946 -4.111
42 HA LYS 7 HA LYS 7 18.539 -7.410 -1.741
43 HB2 LYS 7 HB3 LYS 7 19.244 -4.611 -2.701
44 HB3 LYS 7 HB2 LYS 7 19.615 -5.271 -1.105
45 HG2 LYS 7 HG3 LYS 7 20.861 -7.154 -2.205
46 HG3 LYS 7 HG2 LYS 7 20.660 -6.323 -3.763
47 HD2 LYS 7 HD3 LYS 7 21.838 -4.349 -2.889
48 HD3 LYS 7 HD2 LYS 7 21.984 -5.100 -1.291
49 HE2 LYS 7 HE3 LYS 7 23.201 -6.246 -3.842
50 HE3 LYS 7 HE2 LYS 7 24.077 -5.233 -2.678
51 HZ1 LYS 7 HZ1 LYS 7 22.852 -7.824 -2.081
52 HZ2 LYS 7 HZ2 LYS 7 23.663 -6.869 -1.009
53 HZ3 LYS 7 HZ3 LYS 7 24.463 -7.535 -2.288
54 H SER 8 H SER 8 17.671 -6.995 0.171
55 HA SER 8 HA SER 8 14.936 -6.274 0.272
56 HB2 SER 8 HB3 SER 8 16.012 -7.933 1.750
57 HB3 SER 8 HB2 SER 8 16.939 -6.638 2.538
58 HG SER 8 HG SER 8 14.107 -6.857 2.428
59 H CYS 9 H CYS 9 14.027 -4.356 0.348
60 HA CYS 9 HA CYS 9 15.629 -1.934 0.659
61 HB2 CYS 9 HB3 CYS 9 13.730 -0.829 -0.269
62 HB3 CYS 9 HB2 CYS 9 13.963 -2.307 -1.171
63 H VAL 10 H VAL 10 14.646 -0.089 1.741
64 HA VAL 10 HA VAL 10 13.394 -0.437 4.366
65 HB VAL 10 HB VAL 10 14.039 1.919 2.556
66 HG11 VAL 10 HG11 VAL 10 11.931 2.552 3.587
67 HG12 VAL 10 HG12 VAL 10 13.235 3.420 4.394
68 HG13 VAL 10 HG13 VAL 10 12.498 2.009 5.184
69 HG21 VAL 10 HG21 VAL 10 15.525 2.584 4.385
70 HG22 VAL 10 HG22 VAL 10 15.895 0.919 3.907
71 HG23 VAL 10 HG23 VAL 10 14.956 1.222 5.381
72 HA PRO 11 HA PRO 11 9.433 -0.860 2.155
73 HB2 PRO 11 HB3 PRO 11 7.702 -0.895 4.265
74 HB3 PRO 11 HB2 PRO 11 8.777 -2.257 3.847
75 HG2 PRO 11 HG3 PRO 11 9.240 -0.106 5.933
76 HG3 PRO 11 HG2 PRO 11 9.431 -1.880 6.109
77 HD2 PRO 11 HD3 PRO 11 11.537 -0.215 5.583
78 HD3 PRO 11 HD2 PRO 11 11.457 -1.872 4.912
79 H GLY 12 H GLY 12 9.784 1.104 1.169
80 HA2 GLY 12 HA2 GLY 12 7.826 3.046 1.201
81 HA3 GLY 12 HA3 GLY 12 9.105 3.676 2.252
82 H LYS 13 H LYS 13 10.383 1.618 -0.225
83 HA LYS 13 HA LYS 13 11.708 1.900 -1.932
84 HB2 LYS 13 HB3 LYS 13 9.809 4.113 -2.791
85 HB3 LYS 13 HB2 LYS 13 10.908 3.195 -3.826
86 HG2 LYS 13 HG3 LYS 13 9.647 1.114 -3.332
87 HG3 LYS 13 HG2 LYS 13 8.523 2.037 -2.314
88 HD2 LYS 13 HD3 LYS 13 7.911 3.446 -4.281
89 HD3 LYS 13 HD2 LYS 13 9.017 2.496 -5.281
90 HE2 LYS 13 HE3 LYS 13 6.809 1.644 -5.659
91 HE3 LYS 13 HE2 LYS 13 7.678 0.436 -4.697
92 HZ1 LYS 13 HZ1 LYS 13 5.770 2.419 -3.668
93 HZ2 LYS 13 HZ2 LYS 13 6.573 1.304 -2.757
94 HZ3 LYS 13 HZ3 LYS 13 5.471 0.812 -3.883
95 H ASN 14 H ASN 14 12.418 3.343 0.463
96 HA ASN 14 HA ASN 14 13.389 5.949 -0.227
97 HB2 ASN 14 HB3 ASN 14 12.624 5.240 2.051
98 HB3 ASN 14 HB2 ASN 14 14.054 4.214 2.186
99 HD21 ASN 14 HD21 ASN 14 13.088 7.635 1.536
100 HD22 ASN 14 HD22 ASN 14 14.450 8.351 2.368
101 H GLU 15 H GLU 15 14.675 2.785 -0.744
102 HA GLU 15 HA GLU 15 17.495 3.741 -0.676
103 HB2 GLU 15 HB3 GLU 15 16.286 0.986 -0.263
104 HB3 GLU 15 HB2 GLU 15 18.012 1.333 -0.371
105 HG2 GLU 15 HG3 GLU 15 16.153 2.479 1.741
106 HG3 GLU 15 HG2 GLU 15 17.252 1.113 1.961
107 H CYS 16 H CYS 16 15.211 1.778 -2.685
108 HA CYS 16 HA CYS 16 17.141 0.553 -4.216
109 HB2 CYS 16 HB3 CYS 16 14.334 1.316 -5.064
110 HB3 CYS 16 HB2 CYS 16 15.361 0.102 -5.826
111 H CYS 17 H CYS 17 18.245 0.917 -6.076
112 HA CYS 17 HA CYS 17 19.021 3.538 -6.715
113 HB2 CYS 17 HB3 CYS 17 19.407 1.007 -8.351
114 HB3 CYS 17 HB2 CYS 17 20.330 2.484 -8.510
115 H SER 18 H SER 18 19.267 4.253 -9.075
116 HA SER 18 HA SER 18 16.725 4.929 -10.209
117 HB2 SER 18 HB3 SER 18 19.568 5.183 -11.276
118 HB3 SER 18 HB2 SER 18 18.128 5.903 -12.023
119 HG SER 18 HG SER 18 19.072 6.405 -9.395
120 H GLY 19 H GLY 19 15.491 3.437 -11.091
121 HA2 GLY 19 HA2 GLY 19 14.904 2.222 -13.085
122 HA3 GLY 19 HA3 GLY 19 16.538 1.552 -13.151
123 H LEU 20 H LEU 20 14.952 1.868 -10.046
124 HA LEU 20 HA LEU 20 13.967 -0.907 -9.981
125 HB2 LEU 20 HB3 LEU 20 15.865 0.338 -7.960
126 HB3 LEU 20 HB2 LEU 20 15.017 -1.185 -7.724
127 HG LEU 20 HG LEU 20 17.014 -0.719 -9.969
128 HD11 LEU 20 HD11 LEU 20 18.028 -0.491 -7.692
129 HD12 LEU 20 HD12 LEU 20 18.658 -1.854 -8.629
130 HD13 LEU 20 HD13 LEU 20 17.485 -2.129 -7.318
131 HD21 LEU 20 HD21 LEU 20 15.398 -2.590 -10.331
132 HD22 LEU 20 HD22 LEU 20 15.885 -3.304 -8.787
133 HD23 LEU 20 HD23 LEU 20 17.046 -3.165 -10.129
134 H THR 21 H THR 21 12.658 -1.281 -8.065
135 HA THR 21 HA THR 21 11.491 0.883 -6.574
136 HB THR 21 HB THR 21 10.333 1.291 -8.687
137 HG1 THR 21 HG1 THR 21 9.202 1.466 -6.727
138 HG21 THR 21 HG21 THR 21 8.804 -0.267 -9.746
139 HG22 THR 21 HG22 THR 21 9.197 -1.542 -8.584
140 HG23 THR 21 HG23 THR 21 10.419 -0.980 -9.746
141 H CYS 22 H CYS 22 10.835 0.003 -4.641
142 HA CYS 22 HA CYS 22 11.338 -2.789 -4.325
143 HB2 CYS 22 HB3 CYS 22 11.841 -1.002 -2.626
144 HB3 CYS 22 HB2 CYS 22 10.118 -1.022 -2.204
145 H SER 23 H SER 23 10.055 -4.426 -4.556
146 HA SER 23 HA SER 23 7.321 -4.448 -5.182
147 HB2 SER 23 HB3 SER 23 9.076 -6.197 -5.626
148 HB3 SER 23 HB2 SER 23 9.052 -6.620 -3.915
149 HG SER 23 HG SER 23 7.695 -7.958 -5.186
150 H ASN 24 H ASN 24 5.494 -5.025 -3.966
151 HA ASN 24 HA ASN 24 5.492 -4.651 -1.065
152 HB2 ASN 24 HB3 ASN 24 3.590 -3.892 -2.379
153 HB3 ASN 24 HB2 ASN 24 3.351 -5.496 -3.068
154 HD21 ASN 24 HD21 ASN 24 1.998 -6.906 -1.991
155 HD22 ASN 24 HD22 ASN 24 1.382 -6.654 -0.373
156 H LYS 25 H LYS 25 4.964 -7.347 -3.407
157 HA LYS 25 HA LYS 25 4.423 -9.317 -1.465
158 HB2 LYS 25 HB3 LYS 25 3.668 -9.283 -3.837
159 HB3 LYS 25 HB2 LYS 25 5.316 -9.646 -4.358
160 HG2 LYS 25 HG3 LYS 25 5.216 -11.813 -3.106
161 HG3 LYS 25 HG2 LYS 25 3.608 -11.385 -2.512
162 HD2 LYS 25 HD3 LYS 25 3.387 -12.949 -4.343
163 HD3 LYS 25 HD2 LYS 25 2.752 -11.376 -4.853
164 HE2 LYS 25 HE3 LYS 25 4.886 -10.911 -6.041
165 HE3 LYS 25 HE2 LYS 25 5.518 -12.481 -5.510
166 HZ1 LYS 25 HZ1 LYS 25 4.661 -12.570 -7.725
167 HZ2 LYS 25 HZ2 LYS 25 3.172 -12.067 -7.224
168 HZ3 LYS 25 HZ3 LYS 25 3.757 -13.528 -6.732
169 H HIS 26 H HIS 26 7.340 -9.038 -3.603
170 HA HIS 26 HA HIS 26 8.832 -11.033 -2.180
171 HB2 HIS 26 HB3 HIS 26 9.646 -8.925 -4.216
172 HB3 HIS 26 HB2 HIS 26 10.709 -10.188 -3.598
173 HD1 HIS 26 HD1 HIS 26 7.309 -10.075 -5.498
174 HD2 HIS 26 HD2 HIS 26 10.798 -12.359 -4.986
175 HE1 HIS 26 HE1 HIS 26 7.178 -12.001 -7.168
176 H LYS 27 H LYS 27 8.437 -7.572 -1.770
177 HA LYS 27 HA LYS 27 9.449 -5.974 -0.649
178 HB2 LYS 27 HB3 LYS 27 8.422 -7.349 1.150
179 HB3 LYS 27 HB2 LYS 27 9.979 -8.111 1.435
180 HG2 LYS 27 HG3 LYS 27 9.420 -6.310 3.054
181 HG3 LYS 27 HG2 LYS 27 10.939 -6.032 2.223
182 HD2 LYS 27 HD3 LYS 27 9.662 -3.960 2.476
183 HD3 LYS 27 HD2 LYS 27 9.899 -4.352 0.775
184 HE2 LYS 27 HE3 LYS 27 7.596 -5.287 0.670
185 HE3 LYS 27 HE2 LYS 27 7.359 -4.858 2.377
186 HZ1 LYS 27 HZ1 LYS 27 7.709 -2.573 1.776
187 HZ2 LYS 27 HZ2 LYS 27 6.461 -3.213 0.907
188 HZ3 LYS 27 HZ3 LYS 27 7.929 -2.979 0.193
189 H TRP 28 H TRP 28 10.943 -6.533 -2.642
190 HA TRP 28 HA TRP 28 13.545 -5.719 -1.668
191 HB2 TRP 28 HB3 TRP 28 14.876 -7.263 -2.848
192 HB3 TRP 28 HB2 TRP 28 13.802 -8.169 -1.823
193 HD1 TRP 28 HD1 TRP 28 11.785 -7.525 -4.835
194 HE1 TRP 28 HE1 TRP 28 11.926 -9.405 -6.503
195 HE3 TRP 28 HE3 TRP 28 15.818 -9.981 -2.880
196 HZ2 TRP 28 HZ2 TRP 28 13.591 -11.745 -6.971
197 HZ3 TRP 28 HZ3 TRP 28 16.665 -12.040 -3.968
198 HH2 TRP 28 HH2 TRP 28 15.562 -12.929 -6.009
199 H CYS 29 H CYS 29 14.927 -4.894 -3.480
200 HA CYS 29 HA CYS 29 13.451 -3.142 -5.205
201 HB2 CYS 29 HB3 CYS 29 16.371 -3.952 -5.236
202 HB3 CYS 29 HB2 CYS 29 15.668 -2.573 -6.077
203 H LYS 30 H LYS 30 12.730 -3.446 -7.235
204 HA LYS 30 HA LYS 30 13.906 -5.477 -8.982
205 HB2 LYS 30 HB3 LYS 30 11.725 -6.403 -9.627
206 HB3 LYS 30 HB2 LYS 30 12.197 -6.793 -7.977
207 HG2 LYS 30 HG3 LYS 30 10.614 -5.229 -7.055
208 HG3 LYS 30 HG2 LYS 30 10.292 -4.506 -8.636
209 HD2 LYS 30 HD3 LYS 30 8.466 -5.999 -7.910
210 HD3 LYS 30 HD2 LYS 30 9.205 -6.508 -9.431
211 HE2 LYS 30 HE3 LYS 30 10.498 -8.248 -8.263
212 HE3 LYS 30 HE2 LYS 30 9.832 -7.724 -6.706
213 HZ1 LYS 30 HZ1 LYS 30 8.284 -8.780 -8.965
214 HZ2 LYS 30 HZ2 LYS 30 7.663 -8.298 -7.514
215 HZ3 LYS 30 HZ3 LYS 30 8.670 -9.602 -7.588
216 H VAL 31 H VAL 31 13.359 -5.228 -11.188
217 HA VAL 31 HA VAL 31 14.058 -2.696 -11.925
218 HB VAL 31 HB VAL 31 12.895 -4.835 -13.733
219 HG11 VAL 31 HG11 VAL 31 13.112 -2.663 -14.887
220 HG12 VAL 31 HG12 VAL 31 14.355 -3.780 -15.456
221 HG13 VAL 31 HG13 VAL 31 14.783 -2.502 -14.299
222 HG21 VAL 31 HG21 VAL 31 14.738 -5.778 -12.423
223 HG22 VAL 31 HG22 VAL 31 15.294 -5.484 -14.068
224 HG23 VAL 31 HG23 VAL 31 15.758 -4.363 -12.768
225 H LEU 32 H LEU 32 13.011 -0.884 -11.774
226 HA LEU 32 HA LEU 32 10.245 -0.459 -12.569
227 HB2 LEU 32 HB3 LEU 32 11.281 0.980 -10.875
228 HB3 LEU 32 HB2 LEU 32 12.565 1.419 -11.988
229 HG LEU 32 HG LEU 32 10.875 2.571 -13.436
230 HD11 LEU 32 HD11 LEU 32 8.836 1.312 -12.840
231 HD12 LEU 32 HD12 LEU 32 8.618 3.033 -12.504
232 HD13 LEU 32 HD13 LEU 32 8.939 1.907 -11.167
233 HD21 LEU 32 HD21 LEU 32 10.541 4.480 -11.915
234 HD22 LEU 32 HD22 LEU 32 10.916 3.450 -10.516
235 HD23 LEU 32 HD23 LEU 32 12.165 3.799 -11.731
236 H LEU 33 H LEU 33 13.403 0.538 -13.753
237 HA LEU 33 HA LEU 33 12.498 0.494 -16.576
238 HB2 LEU 33 HB3 LEU 33 12.817 2.750 -15.160
239 HB3 LEU 33 HB2 LEU 33 14.510 2.518 -15.576
240 HG LEU 33 HG LEU 33 12.164 2.621 -17.504
241 HD11 LEU 33 HD11 LEU 33 13.002 4.870 -18.122
242 HD12 LEU 33 HD12 LEU 33 14.284 4.733 -16.898
243 HD13 LEU 33 HD13 LEU 33 12.577 4.793 -16.405
244 HD21 LEU 33 HD21 LEU 33 13.913 2.936 -19.294
245 HD22 LEU 33 HD22 LEU 33 13.952 1.337 -18.554
246 HD23 LEU 33 HD23 LEU 33 15.162 2.556 -18.087
247 HN1 NH2 34 HN1 AMD 34 13.605 -1.075 -17.633
248 HN2 NH2 34 HN2 AMD 34 15.271 -1.519 -17.340
Start of MODEL 18
1 H1 GLU 1 H1 AMN 0 23.972 4.122 1.128
2 H2 GLU 1 H2 AMN 0 25.288 4.864 0.466
3 H3 GLU 1 H3 AMN 0 23.787 5.129 -0.164
4 HA GLU 1 HA GLU 1 25.020 3.676 -1.569
5 HB2 GLU 1 HB3 GLU 1 25.158 1.932 0.922
6 HB3 GLU 1 HB2 GLU 1 25.544 1.383 -0.716
7 HG2 GLU 1 HG3 GLU 1 27.323 3.104 -0.885
8 HG3 GLU 1 HG2 GLU 1 26.967 3.640 0.763
9 H CYS 2 H CYS 2 23.262 3.584 -2.818
10 HA CYS 2 HA CYS 2 20.697 2.769 -1.975
11 HB2 CYS 2 HB3 CYS 2 20.061 2.990 -4.273
12 HB3 CYS 2 HB2 CYS 2 21.165 4.284 -3.850
13 H LYS 3 H LYS 3 19.452 0.964 -2.500
14 HA LYS 3 HA LYS 3 20.885 -1.580 -2.366
15 HB2 LYS 3 HB3 LYS 3 17.936 -0.830 -2.261
16 HB3 LYS 3 HB2 LYS 3 18.553 -2.467 -2.045
17 HG2 LYS 3 HG3 LYS 3 19.199 -0.072 -0.274
18 HG3 LYS 3 HG2 LYS 3 17.997 -1.310 0.075
19 HD2 LYS 3 HD3 LYS 3 19.760 -3.030 0.232
20 HD3 LYS 3 HD2 LYS 3 20.989 -1.840 -0.220
21 HE2 LYS 3 HE3 LYS 3 21.044 -2.145 2.171
22 HE3 LYS 3 HE2 LYS 3 20.492 -0.507 1.786
23 HZ1 LYS 3 HZ1 LYS 3 18.256 -1.238 2.189
24 HZ2 LYS 3 HZ2 LYS 3 19.199 -1.500 3.517
25 HZ3 LYS 3 HZ3 LYS 3 18.773 -2.763 2.544
26 H GLY 4 H GLY 4 21.544 -2.549 -4.156
27 HA2 GLY 4 HA2 GLY 4 20.620 -1.963 -6.798
28 HA3 GLY 4 HA3 GLY 4 21.716 -3.261 -6.301
29 H PHE 5 H PHE 5 20.129 -3.960 -8.282
30 HA PHE 5 HA PHE 5 17.526 -4.758 -7.851
31 HB2 PHE 5 HB3 PHE 5 18.563 -4.426 -10.012
32 HB3 PHE 5 HB2 PHE 5 19.774 -5.662 -9.689
33 HD1 PHE 5 HD1 PHE 5 16.020 -5.451 -9.473
34 HD2 PHE 5 HD2 PHE 5 19.464 -7.609 -10.921
35 HE1 PHE 5 HE1 PHE 5 14.531 -7.227 -10.382
36 HE2 PHE 5 HE2 PHE 5 17.972 -9.360 -11.848
37 HZ PHE 5 HZ PHE 5 15.518 -9.164 -11.563
38 H GLY 6 H GLY 6 16.684 -6.281 -6.614
39 HA2 GLY 6 HA2 GLY 6 16.284 -8.305 -5.682
40 HA3 GLY 6 HA3 GLY 6 17.794 -8.940 -6.344
41 H LYS 7 H LYS 7 17.505 -6.018 -4.278
42 HA LYS 7 HA LYS 7 18.652 -7.507 -1.967
43 HB2 LYS 7 HB3 LYS 7 19.345 -4.690 -2.880
44 HB3 LYS 7 HB2 LYS 7 19.856 -5.448 -1.374
45 HG2 LYS 7 HG3 LYS 7 20.985 -7.265 -2.693
46 HG3 LYS 7 HG2 LYS 7 20.586 -6.384 -4.184
47 HD2 LYS 7 HD3 LYS 7 21.851 -4.422 -3.361
48 HD3 LYS 7 HD2 LYS 7 22.252 -5.301 -1.869
49 HE2 LYS 7 HE3 LYS 7 23.465 -7.000 -3.146
50 HE3 LYS 7 HE2 LYS 7 22.996 -6.240 -4.677
51 HZ1 LYS 7 HZ1 LYS 7 25.202 -5.634 -4.027
52 HZ2 LYS 7 HZ2 LYS 7 24.665 -5.013 -2.597
53 HZ3 LYS 7 HZ3 LYS 7 24.227 -4.303 -4.019
54 H SER 8 H SER 8 17.931 -7.002 0.009
55 HA SER 8 HA SER 8 15.207 -6.302 0.265
56 HB2 SER 8 HB3 SER 8 16.434 -7.862 1.746
57 HB3 SER 8 HB2 SER 8 17.368 -6.501 2.405
58 HG SER 8 HG SER 8 14.544 -6.810 2.496
59 H CYS 9 H CYS 9 14.179 -4.463 0.744
60 HA CYS 9 HA CYS 9 15.765 -1.956 0.706
61 HB2 CYS 9 HB3 CYS 9 13.906 -1.012 -0.447
62 HB3 CYS 9 HB2 CYS 9 14.240 -2.565 -1.188
63 H VAL 10 H VAL 10 14.531 -0.081 1.493
64 HA VAL 10 HA VAL 10 13.344 -0.255 4.161
65 HB VAL 10 HB VAL 10 13.761 2.009 2.153
66 HG11 VAL 10 HG11 VAL 10 11.739 2.533 3.429
67 HG12 VAL 10 HG12 VAL 10 13.069 3.547 3.992
68 HG13 VAL 10 HG13 VAL 10 12.564 2.145 4.955
69 HG21 VAL 10 HG21 VAL 10 15.393 2.843 3.790
70 HG22 VAL 10 HG22 VAL 10 15.825 1.203 3.284
71 HG23 VAL 10 HG23 VAL 10 15.054 1.463 4.863
72 HA PRO 11 HA PRO 11 9.336 -0.935 2.103
73 HB2 PRO 11 HB3 PRO 11 7.652 -0.822 4.242
74 HB3 PRO 11 HB2 PRO 11 8.771 -2.180 3.946
75 HG2 PRO 11 HG3 PRO 11 9.201 0.196 5.780
76 HG3 PRO 11 HG2 PRO 11 9.438 -1.543 6.147
77 HD2 PRO 11 HD3 PRO 11 11.497 0.092 5.402
78 HD3 PRO 11 HD2 PRO 11 11.438 -1.626 4.908
79 H GLY 12 H GLY 12 9.730 1.000 0.975
80 HA2 GLY 12 HA2 GLY 12 7.580 2.664 0.694
81 HA3 GLY 12 HA3 GLY 12 8.655 3.570 1.767
82 H LYS 13 H LYS 13 10.164 1.408 -0.563
83 HA LYS 13 HA LYS 13 11.633 1.694 -2.156
84 HB2 LYS 13 HB3 LYS 13 9.661 3.687 -3.334
85 HB3 LYS 13 HB2 LYS 13 10.868 2.724 -4.179
86 HG2 LYS 13 HG3 LYS 13 9.158 1.356 -4.612
87 HG3 LYS 13 HG2 LYS 13 9.492 0.696 -3.022
88 HD2 LYS 13 HD3 LYS 13 7.701 2.183 -2.069
89 HD3 LYS 13 HD2 LYS 13 7.399 2.819 -3.699
90 HE2 LYS 13 HE3 LYS 13 6.843 0.527 -4.472
91 HE3 LYS 13 HE2 LYS 13 7.131 -0.089 -2.833
92 HZ1 LYS 13 HZ1 LYS 13 5.363 1.315 -2.061
93 HZ2 LYS 13 HZ2 LYS 13 4.819 0.297 -3.240
94 HZ3 LYS 13 HZ3 LYS 13 5.094 1.887 -3.584
95 H ASN 14 H ASN 14 12.180 3.311 0.120
96 HA ASN 14 HA ASN 14 12.979 5.956 -0.767
97 HB2 ASN 14 HB3 ASN 14 13.459 4.540 1.882
98 HB3 ASN 14 HB2 ASN 14 13.720 6.249 1.558
99 HD21 ASN 14 HD21 ASN 14 11.747 7.513 0.724
100 HD22 ASN 14 HD22 ASN 14 10.204 7.111 1.443
101 H GLU 15 H GLU 15 14.496 2.887 -0.906
102 HA GLU 15 HA GLU 15 17.222 4.058 -0.746
103 HB2 GLU 15 HB3 GLU 15 15.911 1.984 0.800
104 HB3 GLU 15 HB2 GLU 15 17.293 1.298 -0.035
105 HG2 GLU 15 HG3 GLU 15 17.410 3.851 1.628
106 HG3 GLU 15 HG2 GLU 15 17.733 2.241 2.271
107 H CYS 16 H CYS 16 15.138 1.907 -2.684
108 HA CYS 16 HA CYS 16 17.176 0.487 -3.990
109 HB2 CYS 16 HB3 CYS 16 14.449 1.330 -5.009
110 HB3 CYS 16 HB2 CYS 16 15.502 0.139 -5.771
111 H CYS 17 H CYS 17 18.398 0.797 -5.790
112 HA CYS 17 HA CYS 17 19.287 3.391 -6.454
113 HB2 CYS 17 HB3 CYS 17 19.667 0.767 -7.937
114 HB3 CYS 17 HB2 CYS 17 20.614 2.221 -8.185
115 H SER 18 H SER 18 19.613 4.049 -8.807
116 HA SER 18 HA SER 18 17.172 4.905 -9.916
117 HB2 SER 18 HB3 SER 18 19.324 6.087 -10.108
118 HB3 SER 18 HB2 SER 18 19.956 4.788 -11.142
119 HG SER 18 HG SER 18 19.138 6.554 -12.343
120 H GLY 19 H GLY 19 15.730 3.782 -10.985
121 HA2 GLY 19 HA2 GLY 19 14.990 2.785 -13.006
122 HA3 GLY 19 HA3 GLY 19 16.490 1.861 -13.120
123 H LEU 20 H LEU 20 15.150 2.009 -9.943
124 HA LEU 20 HA LEU 20 13.902 -0.688 -10.159
125 HB2 LEU 20 HB3 LEU 20 15.631 0.366 -7.907
126 HB3 LEU 20 HB2 LEU 20 14.929 -1.241 -8.013
127 HG LEU 20 HG LEU 20 17.084 -0.139 -9.863
128 HD11 LEU 20 HD11 LEU 20 17.342 -2.175 -7.621
129 HD12 LEU 20 HD12 LEU 20 17.810 -0.470 -7.499
130 HD13 LEU 20 HD13 LEU 20 18.642 -1.529 -8.649
131 HD21 LEU 20 HD21 LEU 20 17.375 -2.508 -10.562
132 HD22 LEU 20 HD22 LEU 20 15.791 -1.881 -10.996
133 HD23 LEU 20 HD23 LEU 20 15.952 -2.964 -9.595
134 H THR 21 H THR 21 12.598 -1.189 -8.251
135 HA THR 21 HA THR 21 11.494 0.891 -6.598
136 HB THR 21 HB THR 21 10.232 1.294 -8.699
137 HG1 THR 21 HG1 THR 21 8.200 1.180 -7.707
138 HG21 THR 21 HG21 THR 21 8.966 -1.461 -8.351
139 HG22 THR 21 HG22 THR 21 10.153 -1.059 -9.612
140 HG23 THR 21 HG23 THR 21 8.585 -0.241 -9.572
141 H CYS 22 H CYS 22 10.921 -0.061 -4.671
142 HA CYS 22 HA CYS 22 11.426 -2.877 -4.457
143 HB2 CYS 22 HB3 CYS 22 11.963 -1.092 -2.711
144 HB3 CYS 22 HB2 CYS 22 10.264 -1.213 -2.227
145 H SER 23 H SER 23 10.104 -4.532 -4.515
146 HA SER 23 HA SER 23 7.339 -4.489 -5.068
147 HB2 SER 23 HB3 SER 23 8.992 -6.315 -5.518
148 HB3 SER 23 HB2 SER 23 9.061 -6.658 -3.788
149 HG SER 23 HG SER 23 7.586 -8.006 -4.909
150 H ASN 24 H ASN 24 5.536 -4.938 -3.753
151 HA ASN 24 HA ASN 24 5.665 -4.334 -0.901
152 HB2 ASN 24 HB3 ASN 24 3.743 -3.627 -2.227
153 HB3 ASN 24 HB2 ASN 24 3.407 -5.288 -2.715
154 HD21 ASN 24 HD21 ASN 24 2.055 -6.503 -1.415
155 HD22 ASN 24 HD22 ASN 24 1.537 -6.039 0.190
156 H LYS 25 H LYS 25 4.968 -7.211 -2.963
157 HA LYS 25 HA LYS 25 4.521 -9.017 -0.826
158 HB2 LYS 25 HB3 LYS 25 3.604 -9.215 -3.115
159 HB3 LYS 25 HB2 LYS 25 5.222 -9.533 -3.748
160 HG2 LYS 25 HG3 LYS 25 5.336 -11.598 -2.307
161 HG3 LYS 25 HG2 LYS 25 3.695 -11.254 -1.735
162 HD2 LYS 25 HD3 LYS 25 2.834 -11.432 -4.042
163 HD3 LYS 25 HD2 LYS 25 4.467 -11.731 -4.656
164 HE2 LYS 25 HE3 LYS 25 3.025 -13.500 -2.636
165 HE3 LYS 25 HE2 LYS 25 3.071 -13.798 -4.383
166 HZ1 LYS 25 HZ1 LYS 25 5.410 -13.685 -2.618
167 HZ2 LYS 25 HZ2 LYS 25 5.442 -13.958 -4.244
168 HZ3 LYS 25 HZ3 LYS 25 4.728 -15.053 -3.238
169 H HIS 26 H HIS 26 7.291 -8.880 -3.157
170 HA HIS 26 HA HIS 26 8.816 -10.844 -1.724
171 HB2 HIS 26 HB3 HIS 26 9.584 -8.950 -3.978
172 HB3 HIS 26 HB2 HIS 26 10.534 -10.327 -3.423
173 HD1 HIS 26 HD1 HIS 26 7.202 -9.611 -5.237
174 HD2 HIS 26 HD2 HIS 26 9.826 -12.748 -4.277
175 HE1 HIS 26 HE1 HIS 26 6.410 -11.653 -6.545
176 H LYS 27 H LYS 27 8.575 -7.372 -1.526
177 HA LYS 27 HA LYS 27 9.756 -5.731 -0.663
178 HB2 LYS 27 HB3 LYS 27 8.787 -7.001 1.316
179 HB3 LYS 27 HB2 LYS 27 10.400 -7.631 1.602
180 HG2 LYS 27 HG3 LYS 27 9.954 -5.723 3.048
181 HG3 LYS 27 HG2 LYS 27 11.254 -5.324 1.937
182 HD2 LYS 27 HD3 LYS 27 9.755 -3.432 2.230
183 HD3 LYS 27 HD2 LYS 27 9.695 -3.981 0.560
184 HE2 LYS 27 HE3 LYS 27 7.589 -5.201 1.024
185 HE3 LYS 27 HE2 LYS 27 7.639 -4.630 2.705
186 HZ1 LYS 27 HZ1 LYS 27 6.232 -3.278 1.342
187 HZ2 LYS 27 HZ2 LYS 27 7.476 -2.933 0.315
188 HZ3 LYS 27 HZ3 LYS 27 7.521 -2.396 1.873
189 H TRP 28 H TRP 28 11.114 -6.583 -2.662
190 HA TRP 28 HA TRP 28 13.796 -5.803 -1.856
191 HB2 TRP 28 HB3 TRP 28 14.992 -7.428 -3.034
192 HB3 TRP 28 HB2 TRP 28 13.912 -8.270 -1.960
193 HD1 TRP 28 HD1 TRP 28 11.724 -7.654 -4.787
194 HE1 TRP 28 HE1 TRP 28 11.741 -9.513 -6.486
195 HE3 TRP 28 HE3 TRP 28 15.951 -10.062 -3.232
196 HZ2 TRP 28 HZ2 TRP 28 13.406 -11.811 -7.140
197 HZ3 TRP 28 HZ3 TRP 28 16.738 -12.087 -4.425
198 HH2 TRP 28 HH2 TRP 28 15.478 -12.967 -6.376
199 H CYS 29 H CYS 29 15.058 -4.952 -3.666
200 HA CYS 29 HA CYS 29 13.491 -3.185 -5.291
201 HB2 CYS 29 HB3 CYS 29 16.429 -3.895 -5.426
202 HB3 CYS 29 HB2 CYS 29 15.661 -2.488 -6.166
203 H LYS 30 H LYS 30 12.755 -3.411 -7.330
204 HA LYS 30 HA LYS 30 13.894 -5.430 -9.121
205 HB2 LYS 30 HB3 LYS 30 11.679 -6.312 -9.736
206 HB3 LYS 30 HB2 LYS 30 12.233 -6.752 -8.125
207 HG2 LYS 30 HG3 LYS 30 10.699 -5.177 -7.089
208 HG3 LYS 30 HG2 LYS 30 10.258 -4.490 -8.660
209 HD2 LYS 30 HD3 LYS 30 8.522 -6.014 -7.805
210 HD3 LYS 30 HD2 LYS 30 9.193 -6.566 -9.343
211 HE2 LYS 30 HE3 LYS 30 10.588 -8.226 -8.193
212 HE3 LYS 30 HE2 LYS 30 10.036 -7.637 -6.616
213 HZ1 LYS 30 HZ1 LYS 30 8.340 -8.844 -8.683
214 HZ2 LYS 30 HZ2 LYS 30 7.824 -8.298 -7.215
215 HZ3 LYS 30 HZ3 LYS 30 8.855 -9.582 -7.301
216 H VAL 31 H VAL 31 13.540 -5.101 -11.272
217 HA VAL 31 HA VAL 31 13.988 -2.456 -11.947
218 HB VAL 31 HB VAL 31 13.330 -4.786 -13.786
219 HG11 VAL 31 HG11 VAL 31 13.217 -2.647 -15.002
220 HG12 VAL 31 HG12 VAL 31 14.680 -3.525 -15.459
221 HG13 VAL 31 HG13 VAL 31 14.790 -2.162 -14.324
222 HG21 VAL 31 HG21 VAL 31 15.240 -5.321 -12.332
223 HG22 VAL 31 HG22 VAL 31 15.805 -5.018 -13.973
224 HG23 VAL 31 HG23 VAL 31 16.011 -3.770 -12.726
225 H LEU 32 H LEU 32 12.660 -0.824 -11.946
226 HA LEU 32 HA LEU 32 9.887 -0.911 -12.783
227 HB2 LEU 32 HB3 LEU 32 10.651 0.714 -11.108
228 HB3 LEU 32 HB2 LEU 32 11.819 1.374 -12.238
229 HG LEU 32 HG LEU 32 9.927 2.149 -13.694
230 HD11 LEU 32 HD11 LEU 32 8.176 0.525 -13.089
231 HD12 LEU 32 HD12 LEU 32 7.624 2.177 -12.799
232 HD13 LEU 32 HD13 LEU 32 8.136 1.168 -11.431
233 HD21 LEU 32 HD21 LEU 32 9.211 3.981 -12.217
234 HD22 LEU 32 HD22 LEU 32 9.771 3.073 -10.794
235 HD23 LEU 32 HD23 LEU 32 10.937 3.642 -12.010
236 H LEU 33 H LEU 33 12.848 0.534 -14.017
237 HA LEU 33 HA LEU 33 11.725 0.734 -16.768
238 HB2 LEU 33 HB3 LEU 33 14.040 2.222 -15.473
239 HB3 LEU 33 HB2 LEU 33 13.435 2.465 -17.112
240 HG LEU 33 HG LEU 33 11.931 3.051 -14.524
241 HD11 LEU 33 HD11 LEU 33 13.084 4.914 -16.638
242 HD12 LEU 33 HD12 LEU 33 13.755 4.627 -15.017
243 HD13 LEU 33 HD13 LEU 33 12.171 5.401 -15.193
244 HD21 LEU 33 HD21 LEU 33 10.220 4.129 -15.986
245 HD22 LEU 33 HD22 LEU 33 10.296 2.385 -16.241
246 HD23 LEU 33 HD23 LEU 33 11.051 3.484 -17.418
247 HN1 NH2 34 HN1 AMD 34 12.237 -1.072 -17.897
248 HN2 NH2 34 HN2 AMD 34 13.843 -1.759 -18.003
Start of MODEL 19
1 H1 GLU 1 H1 AMN 0 26.048 3.962 -1.071
2 H2 GLU 1 H2 AMN 0 25.352 2.485 -1.309
3 H3 GLU 1 H3 AMN 0 25.037 3.722 -2.353
4 HA GLU 1 HA GLU 1 24.290 3.612 0.464
5 HB2 GLU 1 HB3 GLU 1 24.803 5.890 -0.262
6 HB3 GLU 1 HB2 GLU 1 23.695 5.736 -1.626
7 HG2 GLU 1 HG3 GLU 1 22.689 7.000 0.238
8 HG3 GLU 1 HG2 GLU 1 21.778 5.532 -0.102
9 H CYS 2 H CYS 2 22.914 3.962 -2.787
10 HA CYS 2 HA CYS 2 20.347 2.987 -2.108
11 HB2 CYS 2 HB3 CYS 2 19.880 3.092 -4.461
12 HB3 CYS 2 HB2 CYS 2 20.838 4.481 -3.989
13 H LYS 3 H LYS 3 19.297 1.059 -2.508
14 HA LYS 3 HA LYS 3 20.939 -1.349 -2.321
15 HB2 LYS 3 HB3 LYS 3 17.967 -0.753 -2.215
16 HB3 LYS 3 HB2 LYS 3 18.572 -2.407 -2.267
17 HG2 LYS 3 HG3 LYS 3 19.439 -0.400 -0.146
18 HG3 LYS 3 HG2 LYS 3 18.053 -1.482 0.033
19 HD2 LYS 3 HD3 LYS 3 19.526 -3.449 -0.223
20 HD3 LYS 3 HD2 LYS 3 20.939 -2.383 -0.388
21 HE2 LYS 3 HE3 LYS 3 20.517 -1.448 1.851
22 HE3 LYS 3 HE2 LYS 3 19.081 -2.475 2.022
23 HZ1 LYS 3 HZ1 LYS 3 20.500 -4.384 1.857
24 HZ2 LYS 3 HZ2 LYS 3 20.973 -3.418 3.107
25 HZ3 LYS 3 HZ3 LYS 3 21.837 -3.430 1.702
26 H GLY 4 H GLY 4 21.583 -2.547 -3.966
27 HA2 GLY 4 HA2 GLY 4 20.894 -2.005 -6.701
28 HA3 GLY 4 HA3 GLY 4 21.910 -3.314 -6.077
29 H PHE 5 H PHE 5 20.360 -3.935 -8.168
30 HA PHE 5 HA PHE 5 17.741 -4.691 -7.842
31 HB2 PHE 5 HB3 PHE 5 18.948 -4.345 -9.937
32 HB3 PHE 5 HB2 PHE 5 20.046 -5.663 -9.570
33 HD1 PHE 5 HD1 PHE 5 16.280 -5.535 -9.305
34 HD2 PHE 5 HD2 PHE 5 19.742 -7.232 -11.254
35 HE1 PHE 5 HE1 PHE 5 14.828 -7.169 -10.477
36 HE2 PHE 5 HE2 PHE 5 18.276 -8.847 -12.432
37 HZ PHE 5 HZ PHE 5 15.831 -8.812 -12.030
38 H GLY 6 H GLY 6 16.820 -6.207 -6.655
39 HA2 GLY 6 HA2 GLY 6 16.340 -8.212 -5.733
40 HA3 GLY 6 HA3 GLY 6 17.838 -8.893 -6.374
41 H LYS 7 H LYS 7 17.526 -6.011 -4.239
42 HA LYS 7 HA LYS 7 18.624 -7.570 -1.952
43 HB2 LYS 7 HB3 LYS 7 19.390 -4.743 -2.769
44 HB3 LYS 7 HB2 LYS 7 19.876 -5.577 -1.292
45 HG2 LYS 7 HG3 LYS 7 20.968 -7.362 -2.686
46 HG3 LYS 7 HG2 LYS 7 20.611 -6.397 -4.136
47 HD2 LYS 7 HD3 LYS 7 21.912 -4.510 -3.196
48 HD3 LYS 7 HD2 LYS 7 22.267 -5.477 -1.746
49 HE2 LYS 7 HE3 LYS 7 23.432 -7.154 -3.116
50 HE3 LYS 7 HE2 LYS 7 23.044 -6.256 -4.593
51 HZ1 LYS 7 HZ1 LYS 7 24.698 -5.276 -2.375
52 HZ2 LYS 7 HZ2 LYS 7 24.336 -4.435 -3.747
53 HZ3 LYS 7 HZ3 LYS 7 25.252 -5.804 -3.836
54 H SER 8 H SER 8 17.868 -7.123 0.017
55 HA SER 8 HA SER 8 15.155 -6.364 0.225
56 HB2 SER 8 HB3 SER 8 16.290 -8.036 1.654
57 HB3 SER 8 HB2 SER 8 17.234 -6.740 2.420
58 HG SER 8 HG SER 8 15.230 -5.822 3.078
59 H CYS 9 H CYS 9 14.172 -4.511 0.675
60 HA CYS 9 HA CYS 9 15.824 -2.060 0.846
61 HB2 CYS 9 HB3 CYS 9 14.038 -1.008 -0.320
62 HB3 CYS 9 HB2 CYS 9 14.327 -2.543 -1.113
63 H VAL 10 H VAL 10 14.666 -0.183 1.728
64 HA VAL 10 HA VAL 10 13.389 -0.424 4.335
65 HB VAL 10 HB VAL 10 13.939 1.845 2.380
66 HG11 VAL 10 HG11 VAL 10 11.801 2.437 3.390
67 HG12 VAL 10 HG12 VAL 10 13.074 3.419 4.111
68 HG13 VAL 10 HG13 VAL 10 12.413 2.037 5.012
69 HG21 VAL 10 HG21 VAL 10 15.396 2.669 4.165
70 HG22 VAL 10 HG22 VAL 10 15.831 0.995 3.785
71 HG23 VAL 10 HG23 VAL 10 14.879 1.348 5.240
72 HA PRO 11 HA PRO 11 9.408 -1.085 2.216
73 HB2 PRO 11 HB3 PRO 11 7.714 -1.035 4.356
74 HB3 PRO 11 HB2 PRO 11 8.815 -2.396 4.007
75 HG2 PRO 11 HG3 PRO 11 9.259 -0.108 5.945
76 HG3 PRO 11 HG2 PRO 11 9.496 -1.862 6.227
77 HD2 PRO 11 HD3 PRO 11 11.550 -0.183 5.561
78 HD3 PRO 11 HD2 PRO 11 11.503 -1.882 5.001
79 H GLY 12 H GLY 12 9.682 0.828 1.102
80 HA2 GLY 12 HA2 GLY 12 7.650 2.669 1.050
81 HA3 GLY 12 HA3 GLY 12 8.886 3.429 2.061
82 H LYS 13 H LYS 13 10.261 1.308 -0.322
83 HA LYS 13 HA LYS 13 11.482 1.552 -2.118
84 HB2 LYS 13 HB3 LYS 13 9.429 3.665 -2.898
85 HB3 LYS 13 HB2 LYS 13 10.534 2.852 -4.005
86 HG2 LYS 13 HG3 LYS 13 9.452 0.739 -3.718
87 HG3 LYS 13 HG2 LYS 13 8.466 1.323 -2.369
88 HD2 LYS 13 HD3 LYS 13 7.239 2.841 -3.814
89 HD3 LYS 13 HD2 LYS 13 8.303 2.479 -5.176
90 HE2 LYS 13 HE3 LYS 13 6.212 1.278 -5.447
91 HE3 LYS 13 HE2 LYS 13 7.526 0.124 -5.167
92 HZ1 LYS 13 HZ1 LYS 13 5.602 1.060 -3.154
93 HZ2 LYS 13 HZ2 LYS 13 6.821 -0.018 -2.888
94 HZ3 LYS 13 HZ3 LYS 13 5.581 -0.410 -3.903
95 H ASN 14 H ASN 14 12.156 3.227 0.226
96 HA ASN 14 HA ASN 14 13.070 5.763 -0.772
97 HB2 ASN 14 HB3 ASN 14 13.595 4.396 1.899
98 HB3 ASN 14 HB2 ASN 14 13.959 6.073 1.511
99 HD21 ASN 14 HD21 ASN 14 12.055 7.457 0.735
100 HD22 ASN 14 HD22 ASN 14 10.512 7.178 1.510
101 H GLU 15 H GLU 15 14.493 2.608 -0.763
102 HA GLU 15 HA GLU 15 17.262 3.649 -0.643
103 HB2 GLU 15 HB3 GLU 15 16.045 0.883 -0.387
104 HB3 GLU 15 HB2 GLU 15 17.770 1.139 -0.645
105 HG2 GLU 15 HG3 GLU 15 16.221 2.356 1.665
106 HG3 GLU 15 HG2 GLU 15 17.153 0.854 1.754
107 H CYS 16 H CYS 16 15.243 1.551 -2.782
108 HA CYS 16 HA CYS 16 17.264 0.533 -4.232
109 HB2 CYS 16 HB3 CYS 16 14.478 1.137 -5.252
110 HB3 CYS 16 HB2 CYS 16 15.606 -0.024 -5.952
111 H CYS 17 H CYS 17 18.475 0.918 -5.998
112 HA CYS 17 HA CYS 17 19.194 3.556 -6.613
113 HB2 CYS 17 HB3 CYS 17 19.811 1.017 -8.163
114 HB3 CYS 17 HB2 CYS 17 20.692 2.527 -8.270
115 H SER 18 H SER 18 19.615 4.218 -8.994
116 HA SER 18 HA SER 18 17.166 4.923 -10.215
117 HB2 SER 18 HB3 SER 18 18.602 5.825 -12.017
118 HB3 SER 18 HB2 SER 18 19.101 6.329 -10.395
119 HG SER 18 HG SER 18 20.713 4.702 -10.482
120 H GLY 19 H GLY 19 15.831 3.641 -11.207
121 HA2 GLY 19 HA2 GLY 19 15.157 2.479 -13.169
122 HA3 GLY 19 HA3 GLY 19 16.732 1.683 -13.255
123 H LEU 20 H LEU 20 15.213 1.990 -10.121
124 HA LEU 20 HA LEU 20 14.108 -0.756 -10.152
125 HB2 LEU 20 HB3 LEU 20 16.013 0.365 -8.067
126 HB3 LEU 20 HB2 LEU 20 15.193 -1.185 -7.963
127 HG LEU 20 HG LEU 20 17.216 -0.496 -10.127
128 HD11 LEU 20 HD11 LEU 20 17.627 -2.074 -7.558
129 HD12 LEU 20 HD12 LEU 20 18.206 -0.429 -7.852
130 HD13 LEU 20 HD13 LEU 20 18.836 -1.764 -8.830
131 HD21 LEU 20 HD21 LEU 20 16.090 -3.182 -9.203
132 HD22 LEU 20 HD22 LEU 20 17.295 -2.924 -10.490
133 HD23 LEU 20 HD23 LEU 20 15.648 -2.346 -10.703
134 H THR 21 H THR 21 12.742 -1.169 -8.391
135 HA THR 21 HA THR 21 11.783 0.935 -6.636
136 HB THR 21 HB THR 21 10.521 1.383 -8.707
137 HG1 THR 21 HG1 THR 21 8.487 1.289 -7.699
138 HG21 THR 21 HG21 THR 21 10.411 -1.004 -9.599
139 HG22 THR 21 HG22 THR 21 8.888 -0.100 -9.643
140 HG23 THR 21 HG23 THR 21 9.154 -1.322 -8.388
141 H CYS 22 H CYS 22 11.173 0.003 -4.704
142 HA CYS 22 HA CYS 22 11.627 -2.815 -4.463
143 HB2 CYS 22 HB3 CYS 22 12.172 -1.051 -2.717
144 HB3 CYS 22 HB2 CYS 22 10.455 -1.082 -2.285
145 H SER 23 H SER 23 10.275 -4.428 -4.660
146 HA SER 23 HA SER 23 7.536 -4.345 -5.248
147 HB2 SER 23 HB3 SER 23 9.142 -6.198 -5.682
148 HB3 SER 23 HB2 SER 23 9.206 -6.545 -3.954
149 HG SER 23 HG SER 23 6.894 -6.627 -5.607
150 H ASN 24 H ASN 24 5.700 -4.445 -4.019
151 HA ASN 24 HA ASN 24 5.722 -3.884 -1.189
152 HB2 ASN 24 HB3 ASN 24 3.941 -3.105 -2.700
153 HB3 ASN 24 HB2 ASN 24 3.506 -4.771 -3.090
154 HD21 ASN 24 HD21 ASN 24 3.776 -2.438 -0.358
155 HD22 ASN 24 HD22 ASN 24 2.498 -3.145 0.605
156 H LYS 25 H LYS 25 5.141 -6.783 -3.223
157 HA LYS 25 HA LYS 25 4.351 -8.469 -1.003
158 HB2 LYS 25 HB3 LYS 25 4.856 -8.950 -3.963
159 HB3 LYS 25 HB2 LYS 25 4.440 -10.247 -2.833
160 HG2 LYS 25 HG3 LYS 25 2.332 -9.123 -2.245
161 HG3 LYS 25 HG2 LYS 25 2.701 -7.786 -3.345
162 HD2 LYS 25 HD3 LYS 25 2.740 -9.368 -5.261
163 HD3 LYS 25 HD2 LYS 25 2.333 -10.702 -4.156
164 HE2 LYS 25 HE3 LYS 25 0.229 -9.551 -3.542
165 HE3 LYS 25 HE2 LYS 25 0.638 -8.214 -4.636
166 HZ1 LYS 25 HZ1 LYS 25 -0.858 -9.761 -5.648
167 HZ2 LYS 25 HZ2 LYS 25 0.203 -11.005 -5.433
168 HZ3 LYS 25 HZ3 LYS 25 0.584 -9.763 -6.449
169 H HIS 26 H HIS 26 7.048 -8.806 -3.386
170 HA HIS 26 HA HIS 26 8.431 -10.780 -1.934
171 HB2 HIS 26 HB3 HIS 26 8.525 -10.135 -4.422
172 HB3 HIS 26 HB2 HIS 26 9.673 -8.887 -3.958
173 HD1 HIS 26 HD1 HIS 26 11.770 -10.284 -2.244
174 HD2 HIS 26 HD2 HIS 26 9.713 -12.193 -5.368
175 HE1 HIS 26 HE1 HIS 26 13.183 -12.296 -2.929
176 H LYS 27 H LYS 27 8.601 -7.258 -1.792
177 HA LYS 27 HA LYS 27 9.786 -5.768 -0.714
178 HB2 LYS 27 HB3 LYS 27 8.668 -7.050 1.177
179 HB3 LYS 27 HB2 LYS 27 10.224 -7.801 1.483
180 HG2 LYS 27 HG3 LYS 27 9.859 -5.924 2.992
181 HG3 LYS 27 HG2 LYS 27 11.229 -5.587 1.944
182 HD2 LYS 27 HD3 LYS 27 9.844 -3.600 2.272
183 HD3 LYS 27 HD2 LYS 27 9.854 -4.067 0.577
184 HE2 LYS 27 HE3 LYS 27 7.647 -5.162 0.853
185 HE3 LYS 27 HE2 LYS 27 7.625 -4.666 2.558
186 HZ1 LYS 27 HZ1 LYS 27 7.730 -2.864 0.241
187 HZ2 LYS 27 HZ2 LYS 27 7.703 -2.396 1.823
188 HZ3 LYS 27 HZ3 LYS 27 6.400 -3.168 1.168
189 H TRP 28 H TRP 28 11.139 -6.505 -2.695
190 HA TRP 28 HA TRP 28 13.792 -5.853 -1.783
191 HB2 TRP 28 HB3 TRP 28 15.042 -7.458 -2.911
192 HB3 TRP 28 HB2 TRP 28 13.881 -8.345 -1.969
193 HD1 TRP 28 HD1 TRP 28 11.882 -7.614 -4.892
194 HE1 TRP 28 HE1 TRP 28 12.034 -9.389 -6.674
195 HE3 TRP 28 HE3 TRP 28 16.026 -10.068 -3.182
196 HZ2 TRP 28 HZ2 TRP 28 13.777 -11.616 -7.347
197 HZ3 TRP 28 HZ3 TRP 28 16.905 -12.027 -4.415
198 HH2 TRP 28 HH2 TRP 28 15.795 -12.806 -6.496
199 H CYS 29 H CYS 29 15.147 -5.021 -3.617
200 HA CYS 29 HA CYS 29 13.649 -3.263 -5.312
201 HB2 CYS 29 HB3 CYS 29 16.556 -4.093 -5.427
202 HB3 CYS 29 HB2 CYS 29 15.837 -2.715 -6.261
203 H LYS 30 H LYS 30 12.941 -3.496 -7.340
204 HA LYS 30 HA LYS 30 14.042 -5.529 -9.117
205 HB2 LYS 30 HB3 LYS 30 11.852 -6.422 -9.757
206 HB3 LYS 30 HB2 LYS 30 12.318 -6.817 -8.104
207 HG2 LYS 30 HG3 LYS 30 10.762 -5.202 -7.194
208 HG3 LYS 30 HG2 LYS 30 10.426 -4.532 -8.793
209 HD2 LYS 30 HD3 LYS 30 8.604 -5.954 -8.000
210 HD3 LYS 30 HD2 LYS 30 9.296 -6.570 -9.493
211 HE2 LYS 30 HE3 LYS 30 10.209 -7.644 -6.806
212 HE3 LYS 30 HE2 LYS 30 8.699 -8.209 -7.544
213 HZ1 LYS 30 HZ1 LYS 30 11.344 -8.376 -8.783
214 HZ2 LYS 30 HZ2 LYS 30 9.927 -8.890 -9.452
215 HZ3 LYS 30 HZ3 LYS 30 10.512 -9.622 -8.095
216 H VAL 31 H VAL 31 13.301 -5.258 -11.340
217 HA VAL 31 HA VAL 31 14.048 -2.682 -12.041
218 HB VAL 31 HB VAL 31 12.737 -4.642 -13.944
219 HG11 VAL 31 HG11 VAL 31 13.244 -2.363 -14.834
220 HG12 VAL 31 HG12 VAL 31 14.268 -3.597 -15.579
221 HG13 VAL 31 HG13 VAL 31 14.929 -2.542 -14.312
222 HG21 VAL 31 HG21 VAL 31 14.437 -5.923 -12.751
223 HG22 VAL 31 HG22 VAL 31 15.066 -5.507 -14.344
224 HG23 VAL 31 HG23 VAL 31 15.615 -4.598 -12.918
225 H LEU 32 H LEU 32 13.056 -0.852 -12.111
226 HA LEU 32 HA LEU 32 10.342 -0.315 -11.727
227 HB2 LEU 32 HB3 LEU 32 12.071 1.296 -11.238
228 HB3 LEU 32 HB2 LEU 32 12.643 1.266 -12.886
229 HG LEU 32 HG LEU 32 10.507 2.380 -13.613
230 HD11 LEU 32 HD11 LEU 32 9.002 1.613 -11.793
231 HD12 LEU 32 HD12 LEU 32 9.025 3.377 -11.904
232 HD13 LEU 32 HD13 LEU 32 9.937 2.563 -10.618
233 HD21 LEU 32 HD21 LEU 32 11.065 4.586 -12.669
234 HD22 LEU 32 HD22 LEU 32 12.046 3.812 -11.405
235 HD23 LEU 32 HD23 LEU 32 12.530 3.693 -13.111
236 H LEU 33 H LEU 33 12.206 -0.322 -14.702
237 HA LEU 33 HA LEU 33 10.014 0.151 -16.518
238 HB2 LEU 33 HB3 LEU 33 12.866 -0.857 -16.857
239 HB3 LEU 33 HB2 LEU 33 11.718 -0.809 -18.190
240 HG LEU 33 HG LEU 33 11.422 1.631 -17.901
241 HD11 LEU 33 HD11 LEU 33 13.647 1.384 -15.823
242 HD12 LEU 33 HD12 LEU 33 12.014 2.053 -15.582
243 HD13 LEU 33 HD13 LEU 33 13.165 2.907 -16.603
244 HD21 LEU 33 HD21 LEU 33 14.307 0.720 -18.292
245 HD22 LEU 33 HD22 LEU 33 13.598 2.239 -18.884
246 HD23 LEU 33 HD23 LEU 33 13.026 0.692 -19.526
247 HN1 NH2 34 HN1 AMD 34 8.406 -1.264 -16.948
248 HN2 NH2 34 HN2 AMD 34 8.536 -3.007 -16.891
Start of MODEL 20
1 H1 GLU 1 H1 AMN 0 23.668 6.302 -0.359
2 H2 GLU 1 H2 AMN 0 25.257 5.955 -0.632
3 H3 GLU 1 H3 AMN 0 24.193 5.992 -1.892
4 HA GLU 1 HA GLU 1 24.736 3.762 -1.334
5 HB2 GLU 1 HB3 GLU 1 25.259 4.217 1.042
6 HB3 GLU 1 HB2 GLU 1 23.543 4.456 1.379
7 HG2 GLU 1 HG3 GLU 1 24.270 2.211 2.049
8 HG3 GLU 1 HG2 GLU 1 23.072 2.107 0.763
9 H CYS 2 H CYS 2 23.382 2.712 -2.579
10 HA CYS 2 HA CYS 2 20.493 2.810 -2.037
11 HB2 CYS 2 HB3 CYS 2 19.960 3.012 -4.349
12 HB3 CYS 2 HB2 CYS 2 21.048 4.319 -3.923
13 H LYS 3 H LYS 3 19.326 0.978 -2.723
14 HA LYS 3 HA LYS 3 20.848 -1.516 -2.395
15 HB2 LYS 3 HB3 LYS 3 17.884 -0.840 -2.285
16 HB3 LYS 3 HB2 LYS 3 18.550 -2.443 -1.988
17 HG2 LYS 3 HG3 LYS 3 19.080 0.075 -0.346
18 HG3 LYS 3 HG2 LYS 3 18.004 -1.251 0.088
19 HD2 LYS 3 HD3 LYS 3 19.910 -2.797 0.224
20 HD3 LYS 3 HD2 LYS 3 21.026 -1.478 -0.211
21 HE2 LYS 3 HE3 LYS 3 20.288 -0.209 1.782
22 HE3 LYS 3 HE2 LYS 3 19.217 -1.552 2.233
23 HZ1 LYS 3 HZ1 LYS 3 21.147 -2.946 2.401
24 HZ2 LYS 3 HZ2 LYS 3 21.294 -1.637 3.395
25 HZ3 LYS 3 HZ3 LYS 3 22.139 -1.698 1.979
26 H GLY 4 H GLY 4 21.443 -2.660 -4.124
27 HA2 GLY 4 HA2 GLY 4 20.563 -2.065 -6.782
28 HA3 GLY 4 HA3 GLY 4 21.653 -3.359 -6.268
29 H PHE 5 H PHE 5 20.116 -4.064 -8.282
30 HA PHE 5 HA PHE 5 17.512 -4.892 -7.890
31 HB2 PHE 5 HB3 PHE 5 18.688 -4.464 -10.005
32 HB3 PHE 5 HB2 PHE 5 19.781 -5.802 -9.704
33 HD1 PHE 5 HD1 PHE 5 16.179 -6.279 -8.942
34 HD2 PHE 5 HD2 PHE 5 19.281 -6.647 -11.926
35 HE1 PHE 5 HE1 PHE 5 14.730 -7.779 -10.261
36 HE2 PHE 5 HE2 PHE 5 17.813 -8.147 -13.248
37 HZ PHE 5 HZ PHE 5 15.550 -8.709 -12.407
38 H GLY 6 H GLY 6 16.736 -6.418 -6.585
39 HA2 GLY 6 HA2 GLY 6 16.395 -8.472 -5.664
40 HA3 GLY 6 HA3 GLY 6 17.912 -9.068 -6.346
41 H LYS 7 H LYS 7 17.517 -6.148 -4.311
42 HA LYS 7 HA LYS 7 18.760 -7.529 -1.990
43 HB2 LYS 7 HB3 LYS 7 20.388 -6.116 -3.285
44 HB3 LYS 7 HB2 LYS 7 19.385 -4.701 -2.910
45 HG2 LYS 7 HG3 LYS 7 19.733 -5.100 -0.486
46 HG3 LYS 7 HG2 LYS 7 20.717 -6.531 -0.863
47 HD2 LYS 7 HD3 LYS 7 22.331 -5.104 -2.087
48 HD3 LYS 7 HD2 LYS 7 21.331 -3.676 -1.742
49 HE2 LYS 7 HE3 LYS 7 21.638 -4.106 0.708
50 HE3 LYS 7 HE2 LYS 7 22.723 -5.451 0.308
51 HZ1 LYS 7 HZ1 LYS 7 23.131 -2.637 -0.426
52 HZ2 LYS 7 HZ2 LYS 7 24.145 -3.884 -0.799
53 HZ3 LYS 7 HZ3 LYS 7 23.919 -3.446 0.775
54 H SER 8 H SER 8 17.853 -7.128 -0.090
55 HA SER 8 HA SER 8 15.170 -6.334 0.041
56 HB2 SER 8 HB3 SER 8 16.263 -7.952 1.551
57 HB3 SER 8 HB2 SER 8 17.183 -6.631 2.305
58 HG SER 8 HG SER 8 14.351 -6.872 2.202
59 H CYS 9 H CYS 9 14.200 -4.454 0.227
60 HA CYS 9 HA CYS 9 15.765 -1.988 0.375
61 HB2 CYS 9 HB3 CYS 9 13.808 -0.943 -0.475
62 HB3 CYS 9 HB2 CYS 9 14.003 -2.445 -1.347
63 H VAL 10 H VAL 10 14.698 -0.136 1.431
64 HA VAL 10 HA VAL 10 13.692 -0.488 4.160
65 HB VAL 10 HB VAL 10 14.243 1.872 2.316
66 HG11 VAL 10 HG11 VAL 10 12.181 2.503 3.445
67 HG12 VAL 10 HG12 VAL 10 13.528 3.376 4.173
68 HG13 VAL 10 HG13 VAL 10 12.831 1.973 5.015
69 HG21 VAL 10 HG21 VAL 10 15.783 2.515 4.151
70 HG22 VAL 10 HG22 VAL 10 16.164 0.898 3.533
71 HG23 VAL 10 HG23 VAL 10 15.293 1.077 5.072
72 HA PRO 11 HA PRO 11 9.589 -0.974 2.254
73 HB2 PRO 11 HB3 PRO 11 8.015 -0.888 4.496
74 HB3 PRO 11 HB2 PRO 11 9.008 -2.296 4.031
75 HG2 PRO 11 HG3 PRO 11 9.693 -0.119 6.022
76 HG3 PRO 11 HG2 PRO 11 9.867 -1.893 6.212
77 HD2 PRO 11 HD3 PRO 11 11.951 -0.279 5.497
78 HD3 PRO 11 HD2 PRO 11 11.789 -1.940 4.853
79 H GLY 12 H GLY 12 9.630 0.881 1.095
80 HA2 GLY 12 HA2 GLY 12 7.827 2.957 1.464
81 HA3 GLY 12 HA3 GLY 12 9.366 3.527 2.130
82 H LYS 13 H LYS 13 10.508 1.484 -0.136
83 HA LYS 13 HA LYS 13 11.517 1.648 -2.063
84 HB2 LYS 13 HB3 LYS 13 9.389 3.643 -2.950
85 HB3 LYS 13 HB2 LYS 13 10.482 2.743 -3.993
86 HG2 LYS 13 HG3 LYS 13 9.386 0.656 -3.517
87 HG3 LYS 13 HG2 LYS 13 8.405 1.371 -2.225
88 HD2 LYS 13 HD3 LYS 13 7.254 2.819 -3.826
89 HD3 LYS 13 HD2 LYS 13 8.241 2.179 -5.156
90 HE2 LYS 13 HE3 LYS 13 7.323 -0.069 -4.786
91 HE3 LYS 13 HE2 LYS 13 6.399 0.512 -3.386
92 HZ1 LYS 13 HZ1 LYS 13 6.050 1.393 -6.163
93 HZ2 LYS 13 HZ2 LYS 13 5.194 1.944 -4.865
94 HZ3 LYS 13 HZ3 LYS 13 5.054 0.370 -5.338
95 H ASN 14 H ASN 14 12.201 3.254 0.183
96 HA ASN 14 HA ASN 14 12.860 5.925 -0.686
97 HB2 ASN 14 HB3 ASN 14 13.580 4.441 1.878
98 HB3 ASN 14 HB2 ASN 14 13.854 6.151 1.571
99 HD21 ASN 14 HD21 ASN 14 12.323 5.171 3.773
100 HD22 ASN 14 HD22 ASN 14 10.673 5.702 3.554
101 H GLU 15 H GLU 15 14.513 2.861 -0.830
102 HA GLU 15 HA GLU 15 17.178 4.216 -1.022
103 HB2 GLU 15 HB3 GLU 15 16.446 1.584 0.288
104 HB3 GLU 15 HB2 GLU 15 18.094 2.142 -0.001
105 HG2 GLU 15 HG3 GLU 15 16.049 3.541 1.763
106 HG3 GLU 15 HG2 GLU 15 17.433 2.584 2.297
107 H CYS 16 H CYS 16 15.055 1.935 -2.730
108 HA CYS 16 HA CYS 16 17.052 0.454 -4.037
109 HB2 CYS 16 HB3 CYS 16 14.329 1.321 -5.054
110 HB3 CYS 16 HB2 CYS 16 15.355 0.097 -5.799
111 H CYS 17 H CYS 17 18.361 0.767 -5.749
112 HA CYS 17 HA CYS 17 19.252 3.328 -6.454
113 HB2 CYS 17 HB3 CYS 17 19.638 0.692 -7.910
114 HB3 CYS 17 HB2 CYS 17 20.577 2.147 -8.182
115 H SER 18 H SER 18 19.523 4.146 -8.707
116 HA SER 18 HA SER 18 17.052 4.868 -9.825
117 HB2 SER 18 HB3 SER 18 18.416 5.924 -11.595
118 HB3 SER 18 HB2 SER 18 18.967 6.304 -9.956
119 HG SER 18 HG SER 18 20.104 4.364 -11.686
120 H GLY 19 H GLY 19 15.694 3.676 -10.888
121 HA2 GLY 19 HA2 GLY 19 15.002 2.715 -12.955
122 HA3 GLY 19 HA3 GLY 19 16.552 1.884 -13.103
123 H LEU 20 H LEU 20 15.098 1.932 -9.942
124 HA LEU 20 HA LEU 20 13.969 -0.806 -10.207
125 HB2 LEU 20 HB3 LEU 20 15.631 0.249 -7.907
126 HB3 LEU 20 HB2 LEU 20 14.954 -1.368 -8.040
127 HG LEU 20 HG LEU 20 17.146 -0.229 -9.821
128 HD11 LEU 20 HD11 LEU 20 17.341 -2.261 -7.567
129 HD12 LEU 20 HD12 LEU 20 17.802 -0.555 -7.441
130 HD13 LEU 20 HD13 LEU 20 18.674 -1.619 -8.556
131 HD21 LEU 20 HD21 LEU 20 16.054 -3.076 -9.594
132 HD22 LEU 20 HD22 LEU 20 17.493 -2.585 -10.521
133 HD23 LEU 20 HD23 LEU 20 15.912 -1.990 -10.995
134 H THR 21 H THR 21 12.733 -1.323 -8.159
135 HA THR 21 HA THR 21 11.518 0.760 -6.619
136 HB THR 21 HB THR 21 10.233 1.132 -8.673
137 HG1 THR 21 HG1 THR 21 8.193 0.823 -7.731
138 HG21 THR 21 HG21 THR 21 8.702 -0.478 -9.638
139 HG22 THR 21 HG22 THR 21 9.186 -1.729 -8.484
140 HG23 THR 21 HG23 THR 21 10.333 -1.153 -9.713
141 H CYS 22 H CYS 22 10.920 -0.152 -4.681
142 HA CYS 22 HA CYS 22 11.426 -2.962 -4.355
143 HB2 CYS 22 HB3 CYS 22 11.907 -1.157 -2.644
144 HB3 CYS 22 HB2 CYS 22 10.181 -1.170 -2.262
145 H SER 23 H SER 23 10.068 -4.563 -4.737
146 HA SER 23 HA SER 23 7.280 -4.428 -5.179
147 HB2 SER 23 HB3 SER 23 8.818 -6.282 -5.824
148 HB3 SER 23 HB2 SER 23 8.987 -6.721 -4.118
149 HG SER 23 HG SER 23 7.383 -7.948 -5.208
150 H ASN 24 H ASN 24 5.570 -4.373 -3.789
151 HA ASN 24 HA ASN 24 5.904 -4.024 -0.945
152 HB2 ASN 24 HB3 ASN 24 3.423 -4.576 -2.625
153 HB3 ASN 24 HB2 ASN 24 3.431 -4.057 -0.936
154 HD21 ASN 24 HD21 ASN 24 4.714 -1.948 -0.488
155 HD22 ASN 24 HD22 ASN 24 4.536 -0.667 -1.667
156 H LYS 25 H LYS 25 5.135 -6.750 -3.087
157 HA LYS 25 HA LYS 25 4.321 -8.582 -0.986
158 HB2 LYS 25 HB3 LYS 25 4.902 -8.872 -3.960
159 HB3 LYS 25 HB2 LYS 25 4.481 -10.241 -2.921
160 HG2 LYS 25 HG3 LYS 25 2.332 -9.207 -2.338
161 HG3 LYS 25 HG2 LYS 25 2.711 -7.782 -3.320
162 HD2 LYS 25 HD3 LYS 25 2.853 -9.217 -5.347
163 HD3 LYS 25 HD2 LYS 25 2.423 -10.634 -4.362
164 HE2 LYS 25 HE3 LYS 25 0.279 -9.559 -3.752
165 HE3 LYS 25 HE2 LYS 25 0.714 -8.133 -4.715
166 HZ1 LYS 25 HZ1 LYS 25 -0.718 -9.604 -5.912
167 HZ2 LYS 25 HZ2 LYS 25 0.348 -10.852 -5.755
168 HZ3 LYS 25 HZ3 LYS 25 0.755 -9.527 -6.648
169 H HIS 26 H HIS 26 7.022 -8.789 -3.368
170 HA HIS 26 HA HIS 26 8.418 -10.794 -1.942
171 HB2 HIS 26 HB3 HIS 26 9.367 -8.941 -4.161
172 HB3 HIS 26 HB2 HIS 26 10.185 -10.403 -3.624
173 HD1 HIS 26 HD1 HIS 26 6.785 -9.451 -5.249
174 HD2 HIS 26 HD2 HIS 26 9.465 -12.649 -4.759
175 HE1 HIS 26 HE1 HIS 26 5.923 -11.358 -6.709
176 H LYS 27 H LYS 27 8.519 -7.320 -1.643
177 HA LYS 27 HA LYS 27 9.703 -5.867 -0.491
178 HB2 LYS 27 HB3 LYS 27 8.641 -7.336 1.261
179 HB3 LYS 27 HB2 LYS 27 10.203 -8.107 1.484
180 HG2 LYS 27 HG3 LYS 27 9.701 -6.369 3.176
181 HG3 LYS 27 HG2 LYS 27 11.181 -6.032 2.296
182 HD2 LYS 27 HD3 LYS 27 9.851 -4.003 2.693
183 HD3 LYS 27 HD2 LYS 27 10.078 -4.307 0.975
184 HE2 LYS 27 HE3 LYS 27 7.798 -5.295 0.846
185 HE3 LYS 27 HE2 LYS 27 7.564 -4.939 2.570
186 HZ1 LYS 27 HZ1 LYS 27 8.078 -2.965 0.458
187 HZ2 LYS 27 HZ2 LYS 27 7.859 -2.625 2.057
188 HZ3 LYS 27 HZ3 LYS 27 6.620 -3.260 1.171
189 H TRP 28 H TRP 28 11.079 -6.630 -2.596
190 HA TRP 28 HA TRP 28 13.689 -5.775 -1.702
191 HB2 TRP 28 HB3 TRP 28 15.020 -7.339 -2.845
192 HB3 TRP 28 HB2 TRP 28 13.977 -8.221 -1.767
193 HD1 TRP 28 HD1 TRP 28 11.831 -7.769 -4.674
194 HE1 TRP 28 HE1 TRP 28 11.981 -9.674 -6.317
195 HE3 TRP 28 HE3 TRP 28 16.093 -9.964 -2.907
196 HZ2 TRP 28 HZ2 TRP 28 13.759 -11.918 -6.850
197 HZ3 TRP 28 HZ3 TRP 28 17.001 -11.986 -4.014
198 HH2 TRP 28 HH2 TRP 28 15.848 -12.967 -5.983
199 H CYS 29 H CYS 29 15.009 -4.945 -3.517
200 HA CYS 29 HA CYS 29 13.453 -3.257 -5.240
201 HB2 CYS 29 HB3 CYS 29 16.406 -3.897 -5.234
202 HB3 CYS 29 HB2 CYS 29 15.642 -2.538 -6.060
203 H LYS 30 H LYS 30 12.909 -3.483 -7.343
204 HA LYS 30 HA LYS 30 14.199 -5.439 -9.061
205 HB2 LYS 30 HB3 LYS 30 12.111 -6.535 -9.741
206 HB3 LYS 30 HB2 LYS 30 12.592 -6.890 -8.088
207 HG2 LYS 30 HG3 LYS 30 10.869 -5.360 -7.217
208 HG3 LYS 30 HG2 LYS 30 10.457 -4.848 -8.861
209 HD2 LYS 30 HD3 LYS 30 8.815 -6.460 -8.075
210 HD3 LYS 30 HD2 LYS 30 9.738 -7.149 -9.412
211 HE2 LYS 30 HE3 LYS 30 11.144 -8.413 -7.811
212 HE3 LYS 30 HE2 LYS 30 10.246 -7.704 -6.456
213 HZ1 LYS 30 HZ1 LYS 30 9.120 -9.415 -8.557
214 HZ2 LYS 30 HZ2 LYS 30 8.280 -8.759 -7.298
215 HZ3 LYS 30 HZ3 LYS 30 9.458 -9.876 -7.009
216 H VAL 31 H VAL 31 13.760 -5.174 -11.252
217 HA VAL 31 HA VAL 31 14.150 -2.555 -11.949
218 HB VAL 31 HB VAL 31 13.429 -4.912 -13.720
219 HG11 VAL 31 HG11 VAL 31 13.133 -2.841 -15.007
220 HG12 VAL 31 HG12 VAL 31 14.623 -3.639 -15.513
221 HG13 VAL 31 HG13 VAL 31 14.702 -2.229 -14.433
222 HG21 VAL 31 HG21 VAL 31 15.880 -5.081 -14.037
223 HG22 VAL 31 HG22 VAL 31 16.133 -3.726 -12.916
224 HG23 VAL 31 HG23 VAL 31 15.467 -5.262 -12.331
225 H LEU 32 H LEU 32 12.906 -0.904 -11.899
226 HA LEU 32 HA LEU 32 10.089 -0.834 -12.541
227 HB2 LEU 32 HB3 LEU 32 11.053 0.761 -10.965
228 HB3 LEU 32 HB2 LEU 32 12.227 1.295 -12.154
229 HG LEU 32 HG LEU 32 10.357 2.241 -13.530
230 HD11 LEU 32 HD11 LEU 32 8.601 1.454 -11.160
231 HD12 LEU 32 HD12 LEU 32 8.492 0.788 -12.806
232 HD13 LEU 32 HD13 LEU 32 8.111 2.490 -12.517
233 HD21 LEU 32 HD21 LEU 32 9.899 4.141 -12.034
234 HD22 LEU 32 HD22 LEU 32 10.443 3.189 -10.634
235 HD23 LEU 32 HD23 LEU 32 11.592 3.634 -11.916
236 H LEU 33 H LEU 33 13.024 0.421 -14.022
237 HA LEU 33 HA LEU 33 11.668 0.988 -16.570
238 HB2 LEU 33 HB3 LEU 33 14.482 1.611 -15.590
239 HB3 LEU 33 HB2 LEU 33 13.786 2.154 -17.118
240 HG LEU 33 HG LEU 33 12.826 2.946 -14.328
241 HD11 LEU 33 HD11 LEU 33 14.248 4.558 -16.488
242 HD12 LEU 33 HD12 LEU 33 14.995 3.939 -15.001
243 HD13 LEU 33 HD13 LEU 33 13.713 5.157 -14.902
244 HD21 LEU 33 HD21 LEU 33 11.825 3.860 -17.064
245 HD22 LEU 33 HD22 LEU 33 11.388 4.601 -15.508
246 HD23 LEU 33 HD23 LEU 33 10.898 2.942 -15.855
247 HN1 NH2 34 HN1 AMD 34 11.340 -0.957 -17.624
248 HN2 NH2 34 HN2 AMD 34 12.649 -1.990 -18.152